HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 30-APR-08 3D01 COMPND UNCHARACTERIZED PROTEIN; COMPND 3 CHAIN: A, B, C, D, E, F, G, H, I, J, K, L; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: AGROBACTERIUM TUMEFACIENS STR.; SOURCE 3 ORGANISM_TAXID: 176299; SOURCE 4 STRAIN: C58; SOURCE 5 ATCC: 33970; SOURCE 6 GENE: GI:17935272, AGR_C_2535, ATU1372; SOURCE 7 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 8 EXPRESSION_SYSTEM_STRAIN: BL21; SOURCE 9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 10 EXPRESSION_SYSTEM_PLASMID: PDM68 AUTHOR R.ZHANG,X.XU,J.GU,A.SAVCHENKO,A.M.EDWARDS,A.JOACHIMIAK,MIDWEST CENTER AUTHOR 2 FOR STRUCTURAL GENOMICS (MCSG) HET MSE A 10 8 HET MSE A 53 8 HET MSE A 146 8 HET MSE B 10 8 HET MSE B 53 8 HET MSE B 146 8 HET MSE C 10 8 HET MSE C 53 8 HET MSE C 146 8 HET MSE D 10 8 HET MSE D 53 8 HET MSE D 146 8 HET MSE E 10 8 HET MSE E 53 8 HET MSE E 146 8 HET MSE F 10 8 HET MSE F 53 8 HET MSE F 146 8 HET MSE G 10 8 HET MSE G 53 8 HET MSE G 146 8 HET MSE H 10 8 HET MSE H 53 8 HET MSE H 146 8 HET MSE I 10 8 HET MSE I 53 8 HET MSE I 146 8 HET MSE J 10 8 HET MSE J 53 8 HET MSE J 146 8 HET MSE K 10 8 HET MSE K 53 8 HET MSE K 146 8 HET MSE L 10 8 HET MSE L 53 8 HET MSE L 146 8 HET PG5 A 166 12 HET PG5 B 166 12 HET PG5 C 166 12 HET PG5 E 166 12 HET PG5 F 166 12 HET PG5 G 166 12 HET PG5 H 166 12 HET PG5 I 166 12 HET PG5 J 166 12 HET PG5 J 167 12 HET PG5 K 166 12 HET PG5 L 166 12 SITE 1 AC1 4 GLU D 114 ARG F 66 ASP H 67 ASN H 152 SITE 1 AC2 5 THR G 61 ASP G 67 ASN G 152 ARG I 66 SITE 1 AC3 6 GLU A 114 ARG E 66 ASP E 67 THR K 61 SITE 1 AC4 4 THR A 61 ASN A 152 GLU I 114 ARG L 66 SITE 1 AC5 4 ARG G 66 THR I 61 ASP I 67 ASN I 152 SITE 1 AC6 4 ARG A 66 THR L 61 ASP L 67 ASN L 152 SITE 1 AC7 3 THR B 61 ASN B 152 ARG C 66 SITE 1 AC8 6 ARG B 66 THR C 61 GLY C 62 ASP C 67 SITE 1 AC9 4 THR F 61 ASP F 67 ASN F 152 ARG H 66 SITE 1 BC1 2 ARG D 66 ASN J 152 SITE 1 BC2 5 GLU B 114 GLY D 62 ASP D 67 ASN D 152 SITE 1 BC3 5 THR E 61 ASP E 67 ASN E 152 GLU G 114 mGLY~A 1 134.82 77.74 79.97 134.84 78.48 79.30 133.38 76.26 81.44 132.82 75.22 81.02 134.79 76.63 81.00-999.99-999.99-999.99 1 0 27.68-999 ?-999 ?-999 ? C8 PG5 B 166 mTHR~A 2 132.79 77.09 82.30 133.42 77.73 82.75 130.60 77.67 81.35 129.39 77.50 81.24 131.35 77.05 82.54 130.92 77.79 83.85 2 0 27.83-999 ?-999 ?-999 ? C8 PG5 B 166 mGLU~A 3 131.33 78.38 80.48 132.26 78.59 80.77 130.43 77.55 78.38 129.44 77.52 77.67 130.76 78.80 79.20 131.68 79.77 78.45 2 0 30.54-999 ?-999 ?-999 ? C8 PG5 B 166 mASN~A 4 131.23 76.50 78.55 132.02 76.66 79.14 129.80 74.48 78.62 129.01 73.75 77.99 130.93 75.22 77.92 132.18 74.36 77.89 2 0 27.71-999 ?-999 ?-999 ? C8 PG5 B 166 mLEU~A 5 129.73 74.66 79.93 130.48 75.21 80.31 127.33 74.76 80.38 126.29 74.11 80.37 128.65 74.10 80.73 128.95 74.29 82.22 3 0 26.03-999 ?-999 ?-999 ? C8 PG5 B 166 mTYR~A 6 127.39 76.05 80.12 128.31 76.43 80.19 125.60 76.36 78.44 124.38 76.21 78.34 126.23 76.84 79.76 126.64 78.31 79.68 3 0 29.46-999 ?-999 ?-999 ? C8 PG5 B 166 mPHE~A 7 126.44 76.12 77.43 127.40 76.34 77.63 125.47 74.15 76.30 124.45 73.79 75.70 125.98 75.57 76.16 127.05 75.67 75.08 3 0 29.80-999 ?-999 ?-999 ? C8 PG5 B 166 mGLN~A 8 126.14 73.35 77.13 126.99 73.74 77.49 124.24 72.09 78.11 123.36 71.28 77.80 125.64 72.02 77.47 126.61 71.31 78.41 2 0 26.34-999 ?-999 ?-999 ? C8 PG5 B 166 mGLY~A 9 124.06 73.07 79.00 124.87 73.62 79.19 121.71 73.70 78.64 120.62 73.14 78.67 122.78 73.32 79.64-999.99-999.99-999.99 1 0 27.64-999 ?-999 ?-999 ? C8 PG5 B 166 mMETA 10 122.02 74.64 77.76 122.94 75.03 77.86 120.61 73.89 75.85 119.42 73.78 75.53 121.06 75.07 76.74 121.66 76.16 75.85 2 0 30.91-999 ?-999 ?-999 ? C8 PG5 B 166 mSER~A 11 121.55 73.02 75.47 122.46 73.23 75.82 120.36 70.85 75.34 119.46 70.25 74.76 121.23 71.85 74.61 122.49 71.13 74.15 2 0 28.95-999 ?-999 ?-999 ? O1 PG5 C 166 mASP~A 12 120.62 70.68 76.64 121.43 71.15 76.98 118.35 70.38 77.46 117.40 69.60 77.41 119.77 69.85 77.47 120.25 69.82 78.94 2 0 26.65-999 ?-999 ?-999 ? O1 PG5 C 166 mVAL~A 13 118.21 71.71 77.56 119.08 72.21 77.60 116.16 72.11 76.26 115.01 71.74 76.24 116.90 72.34 77.61 117.01 73.85 77.94 3 0 29.88-999 ?-999 ?-999 ? O1 PG5 C 166 mILE~A 14 116.86 72.33 75.17 117.80 72.63 75.34 115.79 70.66 73.68 114.63 70.42 73.34 116.25 72.13 73.83 117.25 72.53 72.71 3 0 31.07-999 ?-999 ?-999 ? C8 PG5 A 166 mGLU~A 15 116.65 69.70 73.96 117.54 70.02 74.27 115.17 67.86 74.80 114.30 67.02 74.49 116.26 68.27 73.82 117.45 67.35 74.01 2 0 28.03-999 ?-999 ?-999 ? O1 PG5 C 166 mGLY~A 16 115.21 68.43 76.00 116.01 69.00 76.18 112.82 68.74 76.50 111.81 68.07 76.67 114.16 68.22 76.96-999.99-999.99-999.99 1 0 27.88-999 ?-999 ?-999 ? O1 PG5 C 166 mARG~A 17 112.82 69.93 75.91 113.71 70.38 75.87 111.01 69.59 74.29 109.80 69.42 74.21 111.58 70.50 75.39 111.81 71.89 74.81 2 0 29.10-999 ?-999 ?-999 ? C8 PG5 A 166 mLEU~A 18 111.89 69.02 73.49 112.84 69.28 73.68 110.85 66.80 72.97 109.81 66.36 72.47 111.48 68.08 72.42 112.67 67.73 71.54 3 0 25.61-999 ?-999 ?-999 ? C8 PG5 A 166 mLYS~A 19 111.47 66.22 73.99 112.36 66.61 74.20 109.52 65.42 75.34 108.61 64.57 75.32 110.89 65.10 74.73 111.82 64.63 75.82 2 0 25.84-999 ?-999 ?-999 ? C8 PG5 A 166 mGLU~A 20 109.34 66.64 75.85 110.17 67.19 75.88 106.97 67.08 75.22 105.81 66.82 75.49 108.02 67.09 76.32 108.09 68.48 76.94 2 0 26.94-999 ?-999 ?-999 ? C8 PG5 A 166 mLEU~A 21 107.37 67.36 73.99 108.32 67.66 73.93 106.27 65.77 72.39 105.41 65.48 71.54 106.47 67.23 72.82 106.99 68.04 71.66 3 0 23.64-999 ?-999 ?-999 ? C8 PG5 A 166 mGLY.A 22 107.05 64.86 72.95 107.77 65.24 73.53 107.86 62.77 71.82 107.66 61.62 71.46 106.88 63.43 72.76-999.99-999.99-999.99 1 0 22.04-999 ?-999 ?-999 ? C8 PG5 A 166 mPHE.A 23 108.93 63.47 71.43 108.95 64.40 71.79 111.35 62.84 71.21 111.78 63.75 71.92 109.97 62.92 70.56 110.13 63.78 69.30 3 0 21.24-999 ?-999 ?-999 ? C8 PG5 A 166 mTHR.A 24 112.06 61.76 70.90 111.52 61.01 70.50 114.22 61.81 69.81 113.67 61.48 68.75 113.49 61.69 71.15 113.85 60.36 71.83 2 0 23.18-999 ?-999 ?-999 ? C8 PG5 A 166 mLEU.A 25 115.45 62.30 69.84 115.77 62.58 70.74 116.75 61.01 68.21 117.21 60.23 69.04 116.25 62.39 68.62 117.45 63.32 68.81 3 0 23.40-999 ?-999 ?-999 ? C8 PG5 A 166 mPRO.A 26 116.64 60.69 66.92 116.11 61.31 66.35 118.81 59.70 66.34 119.28 60.85 66.31 117.31 59.48 66.45 116.66 59.25 65.07 3 0 22.12-999 ?-999 ?-999 ? C8 PG5 A 166 mVAL.A 27 119.57 58.61 66.27 119.06 57.76 66.34 121.43 59.52 64.87 121.00 59.23 63.75 121.03 58.69 66.10 121.68 57.29 65.94 3 0 22.85-999 ?-999 ?-999 ? C8 PG5 C 166 mALA.A 33 127.71 58.00 51.60 128.05 57.89 52.53 127.82 59.41 49.59 128.50 60.21 50.26 127.20 58.17 50.24 125.66 58.26 50.25 2 0 22.55-999 ?-999 ?-999 ? C1 PG5 A 166 mASN.A 34 127.61 59.57 48.28 127.04 58.86 47.86 127.46 62.03 47.83 127.93 63.12 47.46 128.18 60.72 47.56 128.23 60.43 46.06 2 0 24.04-999 ?-999 ?-999 ? C1 PG5 A 166 mTYR.A 35 126.30 61.91 48.47 125.91 60.99 48.46 125.69 62.81 50.63 125.71 61.68 51.12 125.67 63.04 49.13 124.25 63.34 48.63 3 0 22.73-999 ?-999 ?-999 ? C1 PG5 A 166 mVAL.A 36 125.73 63.91 51.35 125.68 64.74 50.80 124.59 64.57 53.43 123.89 65.35 52.77 125.83 63.91 52.79 127.12 64.63 53.20 3 0 23.85-999 ?-999 ?-999 ? C1 PG5 A 166 mPRO.A 37 124.32 64.26 54.71 124.95 63.60 55.12 123.29 66.35 55.68 122.27 67.00 55.87 123.19 64.84 55.46 123.19 64.09 56.80 3 0 22.95-999 ?-999 ?-999 ? C1 PG5 A 166 mPHE^A 38 124.51 66.90 55.64 125.27 66.25 55.51 126.06 68.78 55.31 127.02 68.00 55.26 124.71 68.33 55.80 124.53 68.76 57.26 3 0 26.18-999 ?-999 ?-999 ? C1 PG5 A 166 mTHR^A 39 126.13 70.06 54.97 125.24 70.51 54.95 127.43 72.05 55.40 126.40 72.59 55.75 127.40 70.72 54.67 127.57 70.99 53.16 2 0 29.30-999 ?-999 ?-999 ? C1 PG5 A 166 mILE^A 40 128.62 72.57 55.65 129.38 71.98 55.37 129.60 74.81 55.34 130.60 74.38 54.75 128.78 73.89 56.27 129.46 73.76 57.67 3 0 32.73-999 ?-999 ?-999 ? C1 PG5 A 166 mSER^A 41 129.14 76.04 55.18 128.24 76.20 55.57 129.84 78.36 55.31 128.78 78.94 55.49 129.90 77.07 54.49 129.37 77.30 53.07 2 0 35.23-999 ?-999 ?-999 ? C1 PG5 A 166 mGLY.A 42 130.99 78.81 55.83 131.82 78.33 55.54 130.25 79.51 58.00 130.52 78.45 58.59 130.99 79.92 56.75-999.99-999.99-999.99 1 0 38.47-999 ?-999 ?-999 ? C1 PG5 A 166 mASN.A 43 129.27 80.32 58.38 129.17 81.14 57.82 127.02 79.57 59.12 126.07 79.72 59.87 128.42 80.02 59.54 128.37 81.19 60.52 2 0 37.70-999 ?-999 ?-999 ? C1 PG5 A 166 mLEU^A 44 126.93 79.02 57.91 127.79 79.03 57.40 125.74 76.93 57.25 126.63 76.39 56.60 125.66 78.46 57.40 125.25 79.14 56.09 3 0 34.24-999 ?-999 ?-999 ? C1 PG5 A 166 mLEU^A 45 124.76 76.26 57.84 124.10 76.86 58.30 123.48 74.49 56.91 122.36 74.93 57.16 124.65 74.82 57.84 124.32 74.31 59.24 3 0 31.10-999 ?-999 ?-999 ? C1 PG5 A 166 mTYR^A 46 123.77 73.74 55.85 124.75 73.54 55.77 122.46 71.82 55.21 123.32 70.97 55.05 122.77 73.25 54.90 123.31 73.30 53.49 3 0 27.90-999 ?-999 ?-999 ? C1 PG5 A 166 mVAL^A 47 121.21 71.56 55.57 120.60 72.35 55.56 119.98 69.68 54.77 119.09 70.35 54.24 120.78 70.24 55.94 119.94 70.29 57.26 3 0 24.82-999 ?-999 ?-999 ? C1 PG5 A 166 mSER^A 48 120.32 68.44 54.41 121.07 68.06 54.94 118.18 67.44 53.67 117.82 67.38 54.85 119.64 67.72 53.33 120.32 66.41 53.06 2 0 21.50-999 ?-999 ?-999 ? C1 PG5 A 166 mGLY^A 49 117.38 67.27 52.62 117.83 67.39 51.73 115.82 65.72 53.66 116.44 64.69 53.41 115.96 66.93 52.77-999.99-999.99-999.99 1 0 18.49-999 ?-999 ?-999 ? C1 PG5 A 166 mGLN^A 50 115.06 65.90 54.74 114.69 66.82 54.82 113.37 64.37 55.54 112.45 65.14 55.30 114.78 64.89 55.72 114.94 65.45 57.13 2 0 17.49-999 ?-999 ?-999 ? C1 PG5 A 166 mLEU.A 51 113.24 63.06 55.69 114.11 62.62 55.91 111.39 62.01 56.95 112.10 62.20 57.96 111.95 62.33 55.55 112.16 61.06 54.71 3 0 14.15-999 ?-999 ?-999 ? C8 PG5 A 166 mPRO.A 52 110.11 61.59 57.05 109.63 61.43 56.18 109.92 60.07 58.99 109.10 59.17 59.13 109.52 61.39 58.37 108.01 61.47 58.11 3 0 12.42-999 ?-999 ?-999 ? C8 PG5 A 166 mMETA 53 111.20 59.97 59.33 111.72 60.81 59.19 111.50 58.58 61.32 111.79 59.50 62.09 111.79 58.73 59.84 113.30 58.77 59.70 2 0 13.94-999 ?-999 ?-999 ? C8 PG5 A 166 mGLU.A 54 110.97 57.43 61.70 110.74 56.81 60.95 111.14 55.63 63.28 110.64 54.75 62.56 110.74 57.10 63.10 109.27 57.31 63.47 2 0 14.61-999 ?-999 ?-999 ? C8 PG5 A 166 mSER.A 55 112.05 55.37 64.23 112.36 56.18 64.73 113.08 53.31 63.25 112.82 52.12 63.02 112.54 54.01 64.50 111.43 53.15 65.14 2 0 16.83-999 ?-999 ?-999 ? C8 PG5 A 166 mGLY.A 56 113.82 54.05 62.43 113.94 55.00 62.72 113.49 53.37 59.99 113.97 52.96 58.93 114.39 53.51 61.22-999.99-999.99-999.99 1 0 16.55-999 ?-999 ?-999 ? C1 PG5 A 166 mLYS^A 57 112.21 53.72 60.12 111.98 54.12 61.01 110.54 54.82 58.65 110.41 55.71 59.47 111.23 53.52 59.03 110.16 52.52 59.45 2 0 12.77-999 ?-999 ?-999 ? C8 PG5 A 166 mILE^A 58 110.04 54.89 57.42 110.27 54.11 56.84 107.82 55.92 57.63 107.03 55.03 57.27 109.22 56.04 57.00 109.11 56.18 55.46 3 0 10.03-999 ?-999 ?-999 ? C8 PG5 A 166 mALA.A 59 107.53 56.81 58.56 108.19 57.56 58.62 105.04 57.06 58.76 103.97 56.62 59.22 106.36 56.70 59.41 106.55 57.56 60.65 2 0 8.89-999 ?-999 ?-999 ? C8 PG5 A 166 mVAL.A 60 105.09 57.90 57.73 106.02 58.11 57.41 104.11 58.50 55.63 105.04 59.17 55.18 103.86 58.46 57.13 103.47 59.88 57.68 3 0 6.26-999 ?-999 ?-999 ? C8 PG5 A 166 mTHR.A 61 103.32 57.76 54.87 102.58 57.33 55.40 102.21 57.90 52.65 101.07 57.82 53.17 103.49 57.61 53.43 103.94 56.18 53.06 2 0 -4.32-999 ?-999 ?-999 ? C8 PG5 A 166s mGLY.A 62 102.39 58.22 51.37 103.34 58.15 51.06 100.95 60.12 50.44 101.59 60.99 51.07 101.28 58.62 50.51-999.99-999.99-999.99 1 0 4.23-999 ?-999 ?-999 ? C7 PG5 A 166 mLEU.A 63 99.96 60.41 49.61 99.49 59.60 49.26 98.60 62.36 50.19 97.53 61.78 50.50 99.57 61.74 49.22 98.94 61.69 47.84 3 0 7.20-999 ?-999 ?-999 ? C7 PG5 A 166 mVAL.A 64 98.92 63.57 50.63 99.81 63.89 50.33 96.79 64.76 50.66 96.90 65.33 49.54 98.01 64.33 51.47 98.70 65.55 52.12 3 0 9.46-999 ?-999 ?-999 ? C8 PG5 A 166 mGLY.A 65 95.61 64.47 51.22 95.69 64.16 52.17 93.85 63.34 49.82 92.74 63.34 49.21 94.33 64.61 50.52-999.99-999.99-999.99 1 0 8.56-999 ?-999 ?-999 ? C7 PG5 L 166 mARG.A 66 94.66 62.28 49.88 95.55 62.49 50.30 94.55 59.83 50.39 93.63 59.13 50.81 94.28 60.94 49.39 94.97 60.63 48.06 2 0 -5.05-999 ?-999 ?-999 ? O3 PG5 L 166s mASP.A 67 95.80 59.65 50.76 96.43 60.32 50.35 96.32 59.01 53.12 96.21 58.14 54.02 96.23 58.60 51.66 97.57 58.06 51.19 2 0 5.06-999 ?-999 ?-999 ? C7 PG5 A 166 mVAL.A 68 96.57 60.31 53.32 96.62 60.84 52.48 96.04 62.24 54.75 95.93 63.00 53.76 96.74 60.89 54.64 98.22 60.96 54.99 3 0 6.51-999 ?-999 ?-999 ? C8 PG5 A 166 mASP~A 69 95.55 62.54 55.95 95.69 61.83 56.64 95.86 64.80 56.78 97.04 64.46 56.94 94.86 63.78 56.23 93.65 63.54 57.16 2 0 10.22-999 ?-999 ?-999 ? C8 PG5 A 166 mVAL~A 70 95.38 66.01 57.07 94.40 66.11 56.94 96.94 66.72 58.87 98.15 66.86 59.01 96.26 67.09 57.53 95.53 68.46 57.60 3 0 12.98-999 ?-999 ?-999 ? C8 PG5 A 166 mALA~A 71 96.17 66.20 59.82 95.21 66.06 59.57 97.88 64.83 60.99 98.96 65.00 61.58 96.76 65.87 61.12 95.70 65.41 62.08 2 0 13.39-999 ?-999 ?-999 ? C8 PG5 A 166 mSER~A 72 97.66 63.79 60.18 96.74 63.76 59.79 99.94 63.43 59.22 101.08 63.18 59.59 98.70 62.81 59.92 98.16 61.66 59.08 2 0 9.94-999 ?-999 ?-999 ? C8 PG5 A 166 mALA~A 73 99.70 64.28 58.23 98.73 64.37 58.01 101.57 65.92 58.46 102.81 66.10 58.31 100.77 64.99 57.53 100.17 65.79 56.38 2 0 10.54-999 ?-999 ?-999 ? C8 PG5 A 166 mGLN~A 74 100.85 66.54 59.40 99.87 66.36 59.34 102.48 66.63 61.28 103.55 67.12 61.60 101.48 67.41 60.42 100.40 68.07 61.28 2 0 14.05-999 ?-999 ?-999 ? C8 PG5 A 166 mARG~A 75 102.13 65.39 61.61 101.21 65.13 61.32 104.23 64.06 61.47 105.38 63.99 61.96 103.03 64.49 62.32 102.25 63.26 62.76 2 0 13.12-999 ?-999 ?-999 ? C8 PG5 A 166 mALA~A 76 103.99 63.81 60.19 103.02 63.76 59.95 106.06 64.82 59.30 107.28 64.65 59.39 105.11 63.61 59.26 104.59 63.40 57.81 2 0 11.40-999 ?-999 ?-999 ? C8 PG5 A 166 mALA~A 77 105.50 66.03 59.24 104.50 66.02 59.20 107.09 67.40 60.58 108.26 67.81 60.61 106.31 67.25 59.23 105.47 68.45 58.95 2 0 14.75-999 ?-999 ?-999 ? C8 PG5 A 166 mGLU~A 78 106.45 67.03 61.67 105.49 66.79 61.52 108.33 66.05 62.92 109.41 66.41 63.38 107.15 66.99 62.98 106.21 66.57 64.11 2 0 16.73-999 ?-999 ?-999 ? C8 PG5 A 166 mLEU~A 79 108.14 64.86 62.35 107.22 64.70 62.00 110.33 64.37 61.36 111.52 64.17 61.66 109.21 63.88 62.26 108.70 62.51 61.82 3 0 15.43-999 ?-999 ?-999 ? C8 PG5 A 166 mCYH~A 80 109.98 65.00 60.25 109.00 65.01 60.05 111.84 66.60 60.21 113.05 66.58 60.10 110.98 65.61 59.40 110.35 66.33 58.21 2 0 16.29-999 ?-999 ?-999 ? C8 PG5 A 166 mALA~A 81 111.18 67.44 61.00 110.18 67.31 60.97 112.73 67.80 62.88 113.82 68.30 63.17 111.84 68.46 61.85 110.82 69.41 62.50 2 0 19.67-999 ?-999 ?-999 ? C8 PG5 A 166 mVAL~A 82 112.29 66.67 63.44 111.40 66.38 63.10 114.35 65.42 63.80 115.45 65.46 64.38 113.08 65.95 64.45 112.22 64.82 65.11 3 0 20.20-999 ?-999 ?-999 ? C8 PG5 A 166 mASN~A 83 114.21 64.94 62.57 113.27 64.95 62.21 116.27 65.61 61.43 117.48 65.44 61.45 115.34 64.46 61.82 114.89 63.63 60.60 2 0 19.83-999 ?-999 ?-999 ? C8 PG5 A 166 mILE~A 84 115.72 66.77 61.08 114.72 66.76 61.01 117.39 68.24 62.09 118.61 68.40 62.00 116.56 67.94 60.83 115.72 69.20 60.41 3 0 22.20-999 ?-999 ?-999 ? C8 PG5 A 166 mLEU~A 85 116.75 68.25 63.25 115.77 68.05 63.16 118.53 67.55 64.89 119.59 67.95 65.41 117.43 68.56 64.54 116.42 68.67 65.67 3 0 24.63-999 ?-999 ?-999 ? C8 PG5 A 166 mALA~A 86 118.31 66.27 64.60 117.38 66.09 64.27 120.57 65.54 63.90 121.71 65.46 64.38 119.34 65.25 64.77 118.78 63.83 64.50 2 0 24.61-999 ?-999 ?-999 ? C8 PG5 A 166 mGLN~A 87 120.36 65.91 62.63 119.40 65.95 62.36 122.25 67.44 62.25 123.49 67.45 62.24 121.48 66.24 61.75 120.98 66.52 60.33 2 0 25.45-999 ?-999 ?-999 ? C1 PG5 A 166 mVAL~A 88 121.49 68.47 62.66 120.51 68.31 62.55 122.91 69.39 64.48 124.03 69.88 64.64 122.08 69.70 63.21 121.03 70.80 63.52 3 0 28.21-999 ?-999 ?-999 ? C8 PG5 A 166 mLYS~A 89 122.36 68.57 65.35 121.44 68.26 65.09 124.38 67.51 66.18 125.43 67.85 66.75 123.05 68.16 66.57 122.19 67.19 67.39 2 0 28.78-999 ?-999 ?-999 ? C8 PG5 C 166 mALA~A 90 124.34 66.58 65.21 123.42 66.36 64.91 126.58 66.98 64.11 127.77 66.95 64.46 125.57 65.96 64.67 125.22 64.91 63.58 2 0 27.01-999 ?-999 ?-999 ? C8 PG5 C 166 mALA~A 91 126.10 67.88 63.26 125.13 67.74 63.04 127.61 69.83 63.72 128.72 70.34 63.47 126.90 68.96 62.68 126.03 69.86 61.80 2 0 30.15-999 ?-999 ?-999 ? C8 PG5 C 166 mLEU~A 92 126.93 70.04 64.86 126.06 69.55 64.90 128.09 70.14 67.07 128.23 70.66 68.18 127.43 70.91 65.92 126.29 71.80 66.46 3 0 30.17-999 ?-999 ?-999 ? C8 PG5 C 166 mASN.A 93 128.49 68.90 66.81 128.28 68.61 65.88 128.42 67.90 69.12 129.02 67.96 70.20 129.17 68.07 67.81 130.55 68.64 68.10 2 0 26.54-999 ?-999 ?-999 ? C8 PG5 C 166 mGLY.A 94 127.11 67.71 69.04 126.74 67.76 68.11 125.56 68.63 70.78 124.79 68.48 71.74 126.29 67.44 70.21-999.99-999.99-999.99 1 0 25.74-999 ?-999 ?-999 ? C8 PG5 C 166 mASP~A 95 125.75 69.80 70.17 126.17 69.73 69.26 124.33 71.89 70.02 124.69 72.86 69.34 125.37 71.07 70.78 126.64 71.88 70.95 2 0 29.15-999 ?-999 ?-999 ? C8 PG5 C 166 mLEU~A 96 123.06 71.53 70.17 122.94 70.71 70.73 121.88 73.73 70.03 121.23 74.58 69.39 121.94 72.27 69.56 120.59 71.58 69.83 3 0 31.38-999 ?-999 ?-999 ? O1 PG5 C 166 mSER~A 97 122.53 74.03 71.16 122.96 73.24 71.61 123.43 76.32 70.77 123.28 77.55 70.84 122.60 75.39 71.68 123.14 75.40 73.13 2 0 32.96-999 ?-999 ?-999 ? O1 PG5 C 166 mLYS~A 98 124.26 75.73 69.90 124.30 74.74 69.97 124.29 76.88 67.65 124.86 77.46 66.75 125.05 76.51 68.94 126.35 75.79 68.63 2 0 34.59-999 ?-999 ?-999 ? C8 PG5 B 166 mILE~A 99 123.00 76.56 67.59 122.70 75.87 68.25 121.90 78.65 66.94 121.36 78.97 68.01 122.11 77.17 66.61 120.72 76.51 66.58 3 0 33.85-999 ?-999 ?-999 ? C8 PG5 A 166 mARG.A 100 122.26 79.54 66.02 122.72 79.14 65.23 120.63 81.31 65.66 119.89 82.03 66.30 122.00 80.97 66.19 123.06 81.82 65.49 2 0 36.21-999 ?-999 ?-999 ? C8 PG5 A 166 mARG^A 101 120.30 80.79 64.49 121.01 80.21 64.09 118.71 79.99 62.81 119.59 79.64 62.03 119.00 81.06 63.87 119.05 82.47 63.25 2 0 33.74-999 ?-999 ?-999 ? C8 PG5 A 166 mVAL^A 102 117.48 79.47 62.82 116.95 79.67 63.64 116.59 79.69 60.64 115.63 80.44 60.81 116.99 78.68 61.69 115.78 77.80 62.08 3 0 30.13-999 ?-999 ?-999 ? C8 PG5 A 166 mILE^A 103 117.35 79.71 59.56 118.05 78.99 59.53 115.97 80.38 57.62 115.11 81.26 57.35 117.17 80.70 58.51 118.46 80.81 57.65 3 0 29.79-999 ?-999 ?-999 ? C8 PG5 K 166 mLYS^A 104 115.92 79.13 57.17 116.62 78.52 57.56 114.64 77.23 56.29 115.54 76.41 56.46 114.92 78.72 56.21 115.37 79.12 54.80 2 0 26.49-999 ?-999 ?-999 ? C8 PG5 K 166 mLEU^A 105 113.36 76.90 56.17 112.74 77.68 56.26 112.19 75.50 54.60 111.39 76.38 54.32 112.90 75.53 55.94 111.93 75.04 57.03 3 0 24.11-999 ?-999 ?-999 ? C8 PG5 K 166 mASN^A 106 112.50 74.49 53.79 113.28 73.94 54.09 110.89 72.97 52.84 111.43 71.88 53.01 111.72 74.23 52.58 112.63 74.09 51.35 2 0 21.87-999 ?-999 ?-999 ? C8 PG5 K 166 mGLY^A 107 109.57 73.14 52.86 109.29 74.08 52.65 107.92 71.58 51.90 107.16 72.33 51.27 108.62 72.07 53.16-999.99-999.99-999.99 1 0 18.95-999 ?-999 ?-999 ? C8 PG5 A 166 mPHE^A 108 108.19 70.32 51.58 108.79 69.86 52.23 106.68 68.63 50.84 107.01 67.67 51.57 107.70 69.65 50.41 108.85 68.95 49.69 3 0 16.54-999 ?-999 ?-999 ? C5 PG5 A 166 mVAL^A 109 105.43 68.84 50.41 105.35 69.62 49.79 103.73 67.20 49.63 103.24 67.80 48.66 104.30 68.00 50.82 103.16 68.85 51.45 3 0 13.74-999 ?-999 ?-999 ? C8 PG5 A 166 mALA^A 110 103.77 65.87 49.70 104.19 65.54 50.54 101.74 65.21 48.61 101.09 64.94 49.63 103.24 65.00 48.59 103.59 63.54 48.78 2 0 10.53-999 ?-999 ?-999 ? C5 PG5 A 166 mSER.A 111 101.21 65.76 47.51 101.82 65.77 46.72 99.06 65.86 46.27 99.59 65.81 45.15 99.85 66.31 47.48 99.85 67.86 47.45 2 0 11.40-999 ?-999 ?-999 ? O4 PG5 K 166 mVAL.A 112 97.78 65.57 46.44 97.51 65.40 47.39 96.62 66.97 44.87 96.82 67.87 45.67 96.88 65.53 45.26 95.56 64.73 45.46 3 0 9.65-999 ?-999 ?-999 ? O4 PG5 K 166 mPRO.A 113 96.27 67.21 43.58 96.15 66.41 42.99 94.95 69.45 43.80 94.96 70.68 43.70 96.10 68.62 43.14 95.84 68.47 41.65 3 0 7.12-999 ?-999 ?-999 ? C6 PG5 K 166 mGLU.A 114 93.99 68.77 44.43 94.07 67.78 44.33 93.33 69.80 46.59 92.61 70.55 47.28 92.91 69.42 45.18 91.65 68.56 45.26 2 0 -4.20-999 ?-999 ?-999 ? O4 PG5 K 166s mPHE.A 115 94.46 69.26 47.03 94.94 68.68 46.38 95.68 70.84 48.36 96.65 70.96 47.64 94.91 69.52 48.39 95.79 68.43 48.95 3 0 6.01-999 ?-999 ?-999 ? O4 PG5 K 166 mVAL.A 116 95.29 71.79 49.22 94.61 71.46 49.88 96.14 73.75 50.61 96.11 74.99 50.86 95.83 73.18 49.18 94.88 74.11 48.39 3 0 5.72-999 ?-999 ?-999 ? C8 PG5 K 166 mGLU~A 117 96.44 72.84 51.53 96.43 71.90 51.19 98.17 72.76 53.26 98.45 72.35 54.38 96.76 73.19 52.89 95.69 72.62 53.83 2 0 8.59-999 ?-999 ?-999 ? C8 PG5 K 166 mGLN~A 118 99.09 72.90 52.32 98.75 73.23 51.43 101.07 73.48 53.70 101.98 73.04 54.41 100.48 72.58 52.61 101.34 72.66 51.38 2 0 11.46-999 ?-999 ?-999 ? C8 PG5 K 166 mHIS~A 119 100.58 74.71 53.80 99.94 74.95 53.07 100.66 75.00 56.29 101.48 75.00 57.22 101.01 75.62 54.94 100.43 77.04 54.83 3 0 13.25-999 ?-999 ?-999 ? C8 PG5 K 166 mLEU~A 120 99.48 74.39 56.39 98.93 74.40 55.56 99.89 72.51 57.96 100.25 72.22 59.13 99.07 73.75 57.65 97.57 73.42 57.60 3 0 13.65-999 ?-999 ?-999 ? C8 PG5 K 166 mVAL~A 121 100.22 71.77 56.91 99.84 72.07 56.03 102.45 71.01 57.60 102.89 70.49 58.61 101.08 70.61 57.07 101.23 69.78 55.77 3 0 14.92-999 ?-999 ?-999 ? C8 PG5 K 166 mILE~A 122 103.10 71.97 56.95 102.60 72.36 56.18 104.40 73.10 58.76 105.42 73.10 59.48 104.44 72.40 57.37 105.14 73.28 56.31 3 0 17.38-999 ?-999 ?-999 ? C8 PG5 K 166 mASN~A 123 103.26 73.66 59.13 102.56 73.68 58.42 103.50 73.15 61.54 104.03 73.51 62.59 103.10 74.20 60.50 101.69 74.74 60.81 2 0 18.45-999 ?-999 ?-999 ? C8 PG5 K 166 mGLY~A 124 103.30 71.86 61.26 102.79 71.70 60.41 105.26 70.92 62.50 105.64 70.92 63.69 103.79 70.77 62.12-999.99-999.99-999.99 1 0 18.15-999 ?-999 ?-999 ? C8 PG5 A 166 mALA~A 125 106.08 71.13 61.47 105.63 71.15 60.58 107.79 72.72 62.25 108.57 72.86 63.20 107.52 71.33 61.64 108.23 71.18 60.27 2 0 19.55-999 ?-999 ?-999 ? C8 PG5 A 166 mSER~A 126 107.19 73.75 61.69 106.54 73.52 60.97 107.19 75.32 63.63 107.97 75.96 64.36 107.50 75.13 62.14 106.74 76.16 61.31 2 0 22.77-999 ?-999 ?-999 ? C8 PG5 K 166 mASN~A 127 106.06 74.79 64.08 105.54 74.31 63.38 106.59 74.18 66.43 107.00 74.71 67.47 105.65 74.92 65.49 104.22 74.44 65.67 2 0 23.72-999 ?-999 ?-999 ? C8 PG5 A 166 mLEU~A 128 106.98 72.97 66.04 106.57 72.67 65.18 109.29 72.85 66.95 109.84 72.96 68.04 107.93 72.16 66.82 108.12 70.78 66.19 3 0 22.96-999 ?-999 ?-999 ? C8 PG5 A 166 mILE~A 129 109.83 73.29 65.82 109.29 73.08 65.01 111.11 75.25 66.67 112.01 75.45 67.49 111.11 73.99 65.79 111.52 74.34 64.31 3 0 25.05-999 ?-999 ?-999 ? C8 PG5 A 166 mALA~A 130 110.08 76.09 66.50 109.43 75.80 65.80 109.75 77.02 68.76 110.31 77.74 69.59 109.93 77.31 67.27 108.76 78.10 66.75 2 0 27.86-999 ?-999 ?-999 ? C8 PG5 A 166 mTHR~A 131 108.99 75.98 69.10 108.57 75.52 68.31 110.10 75.12 71.18 110.38 75.57 72.29 108.80 75.55 70.48 107.75 74.43 70.57 2 0 27.90-999 ?-999 ?-999 ? C8 PG5 A 166 mVAL~A 132 110.90 74.28 70.56 110.66 74.08 69.61 113.24 74.71 71.23 114.07 74.69 72.14 112.06 73.73 71.26 112.45 72.33 70.74 3 0 28.36-999 ?-999 ?-999 ? C8 PG5 A 166 mLEU~A 133 113.27 75.61 70.24 112.49 75.57 69.62 114.03 77.96 70.58 114.94 78.76 70.83 114.37 76.56 70.11 114.88 76.65 68.65 3 0 30.64-999 ?-999 ?-999 ? C8 PG5 A 166 mGLY~A 134 112.75 78.28 70.71 112.12 77.50 70.62 112.58 80.61 69.82 112.46 80.23 68.64 112.32 79.65 70.98-999.99-999.99-999.99 1 0 32.47-999 ?-999 ?-999 ? C8 PG5 A 166 mGLU~A 135 112.98 81.84 70.13 113.24 81.97 71.08 113.95 82.54 67.98 113.60 82.79 66.82 113.01 82.88 69.13 113.34 84.26 69.74 2 0 32.82-999 ?-999 ?-999 ? C8 PG5 K 166 mPRO~A 136 115.14 81.99 68.27 115.32 81.90 69.25 115.49 80.48 66.26 116.04 80.26 65.20 116.06 81.56 67.19 117.22 80.94 67.95 3 0 33.45-999 ?-999 ?-999 ? C8 PG5 K 166 mGLY~A 137 114.46 79.77 66.71 114.22 79.95 67.66 112.80 79.37 64.83 112.35 78.59 63.95 113.76 78.82 65.86-999.99-999.99-999.99 1 0 29.99-999 ?-999 ?-999 ? C8 PG5 A 166 mARG~A 138 112.46 80.65 64.93 112.88 81.13 65.70 112.27 81.52 62.62 113.33 82.14 62.59 111.54 81.28 63.96 110.94 82.56 64.52 2 0 28.00-999 ?-999 ?-999 ? C8 PG5 K 166 mHIS.A 139 111.69 81.04 61.51 110.73 80.79 61.63 111.59 81.39 59.09 110.36 81.46 59.18 112.42 80.89 60.26 112.70 79.40 60.04 3 0 26.53-999 ?-999 ?-999 ? C8 PG5 K 166 mALA^A 140 112.26 81.75 58.00 113.24 81.89 58.16 111.25 80.50 56.19 111.78 79.52 56.66 111.63 81.90 56.69 112.54 82.55 55.71 2 0 24.56-999 ?-999 ?-999 ? C8 PG5 K 166 mARG^A 141 110.35 80.43 55.21 110.12 81.30 54.79 109.18 79.17 53.40 108.69 80.20 52.94 109.77 79.16 54.81 108.61 78.83 55.75 2 0 21.41-999 ?-999 ?-999 ? C8 PG5 K 166 mALA^A 142 109.21 78.03 52.74 109.88 77.37 53.09 107.58 76.46 51.88 108.09 75.57 52.56 108.33 77.77 51.58 109.14 77.66 50.28 2 0 18.76-999 ?-999 ?-999 ? C8 PG5 K 166 mALA^A 143 106.35 76.36 51.40 106.04 77.18 50.90 104.85 74.95 50.22 104.15 75.86 49.70 105.54 75.16 51.58 104.52 75.35 52.70 2 0 15.70-999 ?-999 ?-999 ? C8 PG5 K 166 mVAL^A 144 105.07 73.76 49.66 105.52 73.10 50.26 104.21 72.05 48.13 104.56 71.18 48.95 104.69 73.49 48.27 105.86 73.79 47.33 3 0 14.15-999 ?-999 ?-999 ? O4 PG5 K 166 mGLY^A 145 103.38 71.83 47.13 103.19 72.64 46.58 103.51 69.78 45.74 103.57 70.26 44.58 102.81 70.53 46.85-999.99-999.99-999.99 1 0 12.33-999 ?-999 ?-999 ? O4 PG5 K 166 mMETA 146 104.01 68.61 46.09 103.74 68.36 47.02 103.96 66.65 44.64 102.95 66.25 45.25 104.85 67.76 45.25 105.90 67.08 46.13 2 0 13.60-999 ?-999 ?-999 ? C3 PG5 A 166 mALA^A 147 104.37 66.10 43.50 105.18 66.54 43.10 103.85 63.69 43.74 102.94 62.88 43.85 103.67 64.95 42.89 104.15 64.71 41.51 2 0 11.00-999 ?-999 ?-999 ? C3 PG5 A 166 mSER^A 148 105.03 63.58 44.36 105.61 64.39 44.25 106.83 62.67 45.65 107.48 63.65 45.19 105.44 62.38 45.12 105.49 61.12 44.22 2 0 8.42-999 ?-999 ?-999 ? C3 PG5 A 166 mLEU^A 149 107.29 61.83 46.57 106.67 61.06 46.72 109.26 60.62 47.44 108.64 59.54 47.37 108.56 61.99 47.29 108.32 62.62 48.69 3 0 9.41-999 ?-999 ?-999 ? C2 PG5 A 166 mPRO^A 150 110.59 60.65 47.63 111.02 61.55 47.59 110.68 58.53 48.95 110.22 59.03 50.00 111.31 59.41 47.87 112.69 59.88 48.31 3 0 8.89-999 ?-999 ?-999 ? C1 PG5 A 166 mPHE^A 151 110.68 57.23 48.69 111.09 57.02 47.80 108.63 56.41 49.91 108.10 55.90 50.90 110.12 56.20 49.61 110.93 56.17 50.92 3 0 6.24-999 ?-999 ?-999 ? C1 PG5 A 166 mASN^A 152 107.96 57.20 49.06 108.49 57.51 48.27 106.36 58.37 50.56 105.25 58.37 51.08 106.59 57.57 49.28 105.69 56.32 49.24 2 0 -5.38-999 ?-999 ?-999 ? C1 PG5 A 166s mALA^A 153 107.37 59.09 51.04 108.25 58.92 50.58 106.06 61.00 51.85 105.91 61.44 50.70 107.20 60.03 52.15 108.49 60.82 52.39 2 0 8.86-999 ?-999 ?-999 ? C8 PG5 A 166 mSER^A 154 105.29 61.39 52.88 105.51 60.95 53.75 104.78 63.80 52.73 104.21 64.73 52.13 104.22 62.38 52.69 103.09 62.21 53.73 2 0 8.37-999 ?-999 ?-999 ? C8 PG5 A 166 mVAL^A 155 105.91 63.95 53.43 106.24 63.09 53.81 108.12 65.03 53.59 108.65 64.03 54.09 106.59 65.23 53.63 106.18 65.92 54.99 3 0 12.02-999 ?-999 ?-999 ? C8 PG5 A 166 mGLU^A 156 108.80 66.01 52.99 108.22 66.65 52.50 110.59 67.57 53.34 109.97 68.47 52.77 110.28 66.12 53.05 110.92 65.67 51.73 2 0 15.05-999 ?-999 ?-999 ? C8 PG5 A 166 mILE^A 157 111.55 67.80 54.24 111.99 66.98 54.60 113.39 69.33 54.68 114.05 68.51 55.28 111.89 69.18 54.62 111.28 69.56 56.03 3 0 18.42-999 ?-999 ?-999 ? C8 PG5 A 166 mASP^A 158 113.91 70.40 54.06 113.27 70.91 53.49 115.43 72.06 55.01 114.44 72.73 55.32 115.32 70.76 54.23 116.07 70.74 52.89 2 0 21.70-999 ?-999 ?-999 ? C1 PG5 A 166 mALA^A 159 116.66 72.41 55.35 117.38 71.84 54.95 118.23 74.23 55.95 119.19 73.60 55.49 116.90 73.54 56.24 116.84 73.09 57.71 2 0 25.13-999 ?-999 ?-999 ? C8 PG5 A 166 mILE^A 160 118.24 75.54 56.22 117.33 75.93 56.37 119.47 76.91 57.70 118.47 77.52 58.11 119.49 76.32 56.30 119.58 77.43 55.24 3 0 28.90-999 ?-999 ?-999 ? C1 PG5 A 166 mVAL^A 161 120.57 76.73 58.42 121.33 76.31 57.92 121.93 77.94 60.02 122.98 77.54 59.52 120.64 77.13 59.83 120.65 75.89 60.74 3 0 30.82-999 ?-999 ?-999 ? C8 PG5 A 166 mGLU^A 162 121.83 79.11 60.65 120.89 79.39 60.83 123.55 79.32 62.34 122.77 79.14 63.30 123.02 79.90 61.03 122.65 81.36 61.21 2 0 34.63-999 ?-999 ?-999 ? C8 PG5 A 166 mILE^A 163 124.86 79.05 62.38 125.36 79.33 61.57 126.72 79.15 64.08 127.16 80.12 63.46 125.49 78.39 63.53 125.87 76.98 63.17 3 0 35.94-999 ?-999 ?-999 ? C8 PG5 A 166 mASN^B 4 166.23 81.00 103.08 167.15 81.38 102.95 163.90 80.79 102.14 163.08 79.97 101.73 164.87 80.43 103.27 164.28 80.86 104.62 2 0 45.02-999 ?-999 ?-999 ? C8 PG5 B 166 mLEU^B 5 163.98 82.03 101.65 164.73 82.58 102.01 163.20 81.77 99.33 162.25 81.50 98.62 163.02 82.51 100.65 163.22 84.02 100.43 3 0 44.52-999 ?-999 ?-999 ? C8 PG5 B 166 mTYR^B 6 164.45 81.45 99.02 165.13 81.77 99.68 164.11 79.31 97.83 163.53 78.86 96.85 164.78 80.71 97.82 166.31 80.57 97.71 3 0 43.78-999 ?-999 ?-999 ? C8 PG5 B 166 mPHE^B 7 164.20 78.64 98.98 164.68 79.14 99.70 162.12 77.36 99.21 161.42 76.53 98.61 163.64 77.30 99.15 164.27 76.64 100.39 3 0 40.96-999 ?-999 ?-999 ? C8 PG5 B 166 mGLN^B 8 161.61 78.39 99.89 162.28 78.93 100.40 159.69 78.85 98.43 158.62 78.35 98.07 160.18 78.68 99.87 159.90 79.94 100.70 2 0 39.73-999 ?-999 ?-999 ? C8 PG5 B 166 mGLY^B 9 160.48 79.53 97.60 161.32 79.88 98.01 160.16 78.46 95.38 159.26 78.18 94.57 160.11 79.74 96.19-999.99-999.99-999.99 1 0 39.66-999 ?-999 ?-999 ? C8 PG5 B 166 mMETB 10 161.21 77.67 95.58 161.90 78.03 96.21 160.05 75.53 95.22 159.45 74.92 94.34 161.29 76.38 94.90 162.52 75.62 95.34 2 0 37.84-999 ?-999 ?-999 ? C8 PG5 B 166 mSER^B 11 159.70 75.50 96.50 160.26 76.07 97.10 157.27 75.24 96.32 156.43 74.46 95.87 158.57 74.72 96.96 158.54 74.75 98.49 2 0 35.16-999 ?-999 ?-999 ? C8 PG5 B 166 mASP^B 12 157.13 76.57 96.26 157.86 77.09 96.70 155.88 76.80 94.11 154.78 76.57 93.61 156.00 77.19 95.60 156.10 78.73 95.71 2 0 35.03-999 ?-999 ?-999 ? C8 PG5 B 166 mVAL^B 13 157.01 76.74 93.41 157.84 76.95 93.93 156.57 74.95 91.80 155.81 74.66 90.87 157.04 76.40 91.99 158.45 76.60 91.35 3 0 34.63-999 ?-999 ?-999 ? C8 PG5 B 166 mILE^B 14 157.02 74.06 92.68 157.63 74.46 93.36 155.10 72.52 92.76 154.40 71.95 91.92 156.61 72.62 92.61 157.32 71.78 93.72 3 0 31.64-999 ?-999 ?-999 ? C8 PG5 B 166 mGLU^B 15 154.58 73.12 93.82 155.25 73.62 94.37 152.31 73.77 93.03 151.21 73.35 92.69 153.15 73.04 94.11 152.91 73.57 95.50 2 0 29.84-999 ?-999 ?-999 ? C8 PG5 B 166 mGLY^B 16 152.87 74.84 92.45 153.76 75.10 92.84 152.17 74.71 90.09 151.15 74.71 89.39 152.23 75.54 91.35-999.99-999.99-999.99 1 0 30.95-999 ?-999 ?-999 ? C8 PG5 B 166 mARG^B 17 153.23 73.97 89.80 153.99 74.05 90.45 152.22 71.98 88.75 151.59 71.61 87.77 153.26 73.11 88.62 154.62 72.47 88.39 2 0 29.60-999 ?-999 ?-999 ? C8 PG5 B 166 mLEU^B 18 152.05 71.46 89.95 152.67 71.84 90.64 149.62 70.98 89.96 148.79 70.32 89.31 151.02 70.42 90.20 151.20 69.86 91.61 3 0 26.10-999 ?-999 ?-999 ? C8 PG5 B 166 mLYS^B 19 149.36 72.21 90.41 150.10 72.61 90.96 147.83 73.09 88.64 146.69 72.98 88.19 148.08 72.90 90.12 147.97 74.26 90.82 2 0 26.43-999 ?-999 ?-999 ? C8 PG5 B 166 mGLU^B 20 148.89 73.33 87.86 149.75 73.43 88.36 148.38 72.11 85.76 147.74 72.11 84.71 148.78 73.44 86.41 150.09 73.91 85.79 2 0 27.41-999 ?-999 ?-999 ? C8 PG5 B 166 mLEU^B 21 148.75 70.99 86.37 149.38 71.14 87.13 146.85 69.33 86.44 146.25 68.32 86.02 148.26 69.64 85.94 149.22 68.53 86.38 3 0 24.04-999 ?-999 ?-999 ? C8 PG5 B 166 mGLY^B 22 146.31 70.15 87.33 146.93 70.86 87.67 144.74 69.45 89.15 143.62 69.13 89.54 144.93 70.01 87.77-999.99-999.99-999.99 1 0 22.41-999 ?-999 ?-999 ? C8 PG5 B 166 mPHE^B 23 145.81 69.35 89.93 146.66 69.68 89.50 146.18 69.80 92.33 147.14 70.55 92.12 145.73 68.81 91.28 146.60 67.57 91.39 3 0 21.79-999 ?-999 ?-999 ? C8 PG5 B 166 mTHR^B 24 145.51 69.75 93.47 144.66 69.24 93.42 146.38 69.26 95.64 145.81 68.15 95.57 146.00 70.38 94.68 144.91 71.29 95.30 2 0 23.79-999 ?-999 ?-999 ? C8 PG5 B 166 mLEU^B 25 147.34 69.53 96.53 147.73 70.45 96.45 146.75 68.43 98.63 146.41 69.42 99.27 147.76 68.54 97.51 149.12 68.89 98.12 3 0 24.02-999 ?-999 ?-999 ? C8 PG5 B 166 mPRO^B 26 146.28 67.20 98.90 146.59 66.47 98.29 146.04 67.28 101.37 147.28 67.20 101.47 145.37 67.00 100.03 144.97 65.51 99.90 3 0 22.63-999 ?-999 ?-999 ? C8 PG5 B 166 mALA^B 32 145.45 57.95 112.81 144.61 58.31 112.39 146.57 55.91 113.68 145.47 55.34 113.88 146.66 57.42 113.44 146.98 58.17 114.74 2 0 23.12-999 ?-999 ?-999 ? C1 PG5 B 166 mALA^B 33 147.73 55.25 113.67 148.54 55.83 113.66 149.16 53.27 114.04 150.10 54.06 114.22 147.76 53.79 113.67 147.34 53.30 112.28 2 0 22.39-999 ?-999 ?-999 ? C1 PG5 B 166 mASN^B 34 149.30 51.95 114.11 148.45 51.45 113.97 151.54 51.26 113.17 152.72 50.88 113.27 150.60 51.31 114.39 150.37 49.91 114.94 2 0 24.05-999 ?-999 ?-999 ? C1 PG5 B 166 mTYR^B 35 150.98 51.63 112.01 149.98 51.63 112.02 151.51 53.43 110.51 150.44 53.98 110.81 151.78 51.98 110.83 151.54 51.07 109.61 3 0 22.74-999 ?-999 ?-999 ? O1 PG5 B 166 mVAL^B 36 152.50 54.06 109.91 153.24 53.46 109.62 152.63 55.77 108.23 153.07 54.90 107.48 152.50 55.50 109.72 153.66 56.14 110.54 3 0 23.91-999 ?-999 ?-999 ? O1 PG5 B 166 mPRO^B 37 152.25 56.98 107.78 151.87 57.60 108.46 153.84 57.36 105.80 154.03 57.19 104.60 152.41 57.30 106.36 151.67 58.63 106.20 3 0 23.15-999 ?-999 ?-999 ? O1 PG5 B 166 mPHE^B 38 154.82 57.61 106.65 154.54 57.74 107.60 157.10 57.52 107.39 156.69 57.74 108.53 156.18 57.68 106.21 156.46 59.02 105.51 3 0 26.25-999 ?-999 ?-999 ? O1 PG5 B 166 mTHR^B 39 158.33 57.09 107.11 158.43 56.79 106.16 160.67 57.65 107.45 160.80 57.71 106.24 159.41 57.05 108.08 159.73 55.62 108.53 2 0 29.31-999 ?-999 ?-999 ? O1 PG5 B 166 mILE^B 40 161.59 58.15 108.28 161.33 58.15 109.24 164.00 57.87 108.41 164.02 57.65 109.62 162.86 58.64 107.78 163.05 60.14 108.04 3 0 32.76-999 ?-999 ?-999 ? O1 PG5 B 166 mSER^B 41 164.94 57.45 107.59 164.72 57.57 106.62 167.34 57.53 107.38 167.49 57.42 106.16 166.17 56.87 108.09 166.20 55.34 107.91 2 0 35.10-999 ?-999 ?-999 ? O1 PG5 B 166 mGLY^B 42 168.16 58.25 108.14 168.00 58.22 109.12 168.62 60.07 106.59 167.78 60.88 107.04 169.23 59.01 107.50-999.99-999.99-999.99 1 0 38.40-999 ?-999 ?-999 ? O1 PG5 B 166 mASN^B 43 168.98 60.06 105.32 169.65 59.37 105.06 167.44 60.37 103.43 167.21 60.90 102.34 168.39 61.02 104.40 169.44 61.82 103.65 2 0 37.71-999 ?-999 ?-999 ? O1 PG5 B 166 mLEU^B 44 166.94 59.21 103.82 167.32 58.89 104.69 164.57 58.55 103.74 164.45 58.27 104.93 165.93 58.47 103.02 166.35 57.00 102.81 3 0 34.23-999 ?-999 ?-999 ? O1 PG5 B 166 mLEU^B 45 163.56 58.93 102.96 163.85 59.17 102.03 161.46 57.86 102.67 161.48 57.78 101.44 162.18 59.01 103.37 161.57 60.30 102.88 3 0 31.17-999 ?-999 ?-999 ? O1 PG5 B 166 mTYR^B 46 160.88 57.01 103.48 161.05 57.23 104.44 158.59 56.21 103.16 158.10 56.35 104.28 160.06 55.88 103.02 160.35 54.67 103.90 3 0 27.93-999 ?-999 ?-999 ? O1 PG5 B 166 mVAL^B 47 157.90 56.33 102.03 158.42 56.17 101.20 155.67 55.40 101.85 155.94 54.59 100.95 156.48 56.68 102.03 156.11 57.71 100.93 3 0 24.89-999 ?-999 ?-999 ? O1 PG5 B 166 mSER^B 48 154.69 55.22 102.74 154.68 55.91 103.47 152.96 54.06 101.32 152.78 55.10 100.67 153.74 54.10 102.64 152.76 54.17 103.79 2 0 21.51-999 ?-999 ?-999 ? O1 PG5 B 166 mGLY^B 49 152.53 52.86 100.92 152.83 52.09 101.49 150.52 53.65 99.81 149.76 53.63 100.77 151.68 52.69 99.75-999.99-999.99-999.99 1 0 18.53-999 ?-999 ?-999 ? O1 PG5 B 166 mGLN^B 50 150.39 54.48 98.78 151.11 54.37 98.10 148.28 54.94 97.66 148.63 54.44 96.61 149.30 55.44 98.67 149.81 56.81 98.22 2 0 17.68-999 ?-999 ?-999 ? O1 PG5 B 166 mLEU^B 51 147.01 55.18 97.99 146.92 55.62 98.88 145.40 56.07 96.37 145.83 57.20 96.67 145.88 54.82 97.14 144.76 54.24 98.01 3 0 14.52-999 ?-999 ?-999 ? C8 PG5 B 166 mPRO^B 52 144.54 55.88 95.36 144.24 54.93 95.22 143.01 57.86 95.25 141.85 57.86 94.83 144.08 57.01 94.55 143.55 56.34 93.27 3 0 12.82-999 ?-999 ?-999 ? C8 PG5 B 166 mMETB 53 143.41 58.55 96.32 144.40 58.50 96.48 142.24 60.65 96.56 143.20 61.35 96.23 142.46 59.30 97.15 142.99 59.56 98.55 2 0 14.34-999 ?-999 ?-999 ? C8 PG5 B 166 mGLU^B 54 140.99 61.04 96.48 140.33 60.35 96.78 139.39 62.76 96.84 138.41 61.99 96.94 140.60 62.36 96.00 140.21 62.28 94.51 2 0 15.08-999 ?-999 ?-999 ? C8 PG5 B 166 mSER^B 55 139.46 63.94 97.47 140.27 64.48 97.24 138.08 63.34 99.44 136.90 63.13 99.76 138.42 64.39 98.41 137.18 64.75 97.63 2 0 17.21-999 ?-999 ?-999 ? C8 PG5 B 166 mGLY^B 56 139.11 62.67 99.95 140.00 62.91 99.56 138.29 60.35 100.60 138.03 59.51 101.47 138.94 61.67 101.00-999.99-999.99-999.99 1 0 16.77-999 ?-999 ?-999 ? C1 PG5 B 166 mLYS^B 57 138.04 60.14 99.30 138.29 60.92 98.73 138.38 58.18 97.82 139.14 58.84 97.14 137.43 58.89 98.79 136.13 59.21 98.03 2 0 13.09-999 ?-999 ?-999 ? C8 PG5 B 166 mILE^B 58 138.30 56.86 97.72 137.71 56.44 98.41 138.38 56.41 95.33 137.24 55.97 95.09 139.05 56.13 96.66 139.12 54.61 96.90 3 0 10.40-999 ?-999 ?-999 ? C8 PG5 B 166 mALA^B 59 139.07 57.13 94.46 140.03 57.25 94.72 138.43 56.72 92.06 137.57 56.90 91.18 138.50 57.69 93.26 139.25 58.95 92.87 2 0 9.30-999 ?-999 ?-999 ? C8 PG5 B 166 mVAL^B 60 139.28 55.69 92.03 139.89 55.65 92.82 139.44 53.33 91.54 140.41 53.04 92.24 139.30 54.73 90.93 140.46 54.96 89.94 3 0 6.76-999 ?-999 ?-999 ? C8 PG5 B 166 mTHR^B 61 138.46 52.48 91.27 137.79 52.82 90.62 138.15 50.07 90.80 137.66 50.29 89.68 138.36 51.17 91.87 137.22 51.05 92.90 2 0 -4.70-999 ?-999 ?-999 ? C8 PG5 B 166s mGLY^B 62 138.54 48.88 91.17 138.93 48.84 92.09 139.66 47.40 89.53 140.70 48.08 89.65 138.39 47.74 90.29-999.99-999.99-999.99 1 0 4.10-999 ?-999 ?-999 ? C7 PG5 B 166 mLEU^B 63 139.54 46.35 88.71 138.60 46.02 88.62 140.87 46.36 86.67 139.96 46.46 85.85 140.66 45.74 88.01 140.48 44.22 87.80 3 0 7.22-999 ?-999 ?-999 ? O3 PG5 B 166 mVAL^B 64 142.11 46.74 86.41 142.75 46.63 87.17 142.37 46.11 84.10 142.90 44.99 84.32 142.47 47.26 85.10 143.84 47.97 85.09 3 0 9.57-999 ?-999 ?-999 ? C8 PG5 B 166 mGLY^B 65 141.69 46.41 83.00 141.42 47.37 82.94 140.01 44.73 82.17 139.62 43.91 81.32 141.36 45.42 81.98-999.99-999.99-999.99 1 0 8.26-999 ?-999 ?-999 ? O3 PG5 C 166 mARG^B 66 139.32 45.08 83.25 139.80 45.69 83.88 137.04 45.75 83.86 136.08 46.03 83.16 137.97 44.60 83.49 137.94 43.56 84.60 2 0 -4.81-999 ?-999 ?-999 ? C5 PG5 C 166s mASP^B 67 137.35 46.43 84.95 138.20 46.12 85.37 136.98 48.93 85.02 136.16 49.86 84.98 136.54 47.53 85.48 136.56 47.46 86.99 2 0 5.07-999 ?-999 ?-999 ? O4 PG5 B 166 mVAL^B 68 138.26 49.06 84.71 138.74 48.18 84.69 139.83 50.12 83.22 140.43 49.04 83.07 138.93 50.32 84.43 139.78 50.69 85.68 3 0 6.68-999 ?-999 ?-999 ? C8 PG5 B 166 mASP^B 69 139.88 51.12 82.34 139.23 51.86 82.51 142.11 51.80 81.59 142.25 52.33 82.69 140.81 51.09 81.22 140.20 51.68 79.96 2 0 10.35-999 ?-999 ?-999 ? C8 PG5 C 166 mVAL^B 70 143.05 51.81 80.65 142.78 51.41 79.78 144.29 53.84 81.28 144.91 54.31 82.24 144.37 52.37 80.93 145.34 52.16 79.77 3 0 13.20-999 ?-999 ?-999 ? C8 PG5 B 166 mALA^B 71 143.51 54.58 80.50 143.05 54.08 79.77 142.87 56.34 82.20 143.46 57.19 82.92 143.38 56.04 80.77 142.51 56.70 79.69 2 0 13.69-999 ?-999 ?-999 ? C8 PG5 B 166 mSER^B 72 141.85 55.60 82.64 141.46 54.96 81.99 142.39 55.31 85.01 142.51 55.96 86.04 141.35 55.76 83.99 140.06 54.99 84.23 2 0 10.34-999 ?-999 ?-999 ? C8 PG5 B 166 mALA^B 73 143.09 54.20 84.74 142.85 53.75 83.88 145.28 54.74 85.78 145.90 54.91 86.84 144.12 53.72 85.67 144.65 52.37 85.23 2 0 10.91-999 ?-999 ?-999 ? C8 PG5 B 166 mGLN^B 74 145.61 55.38 84.66 145.09 55.09 83.86 146.26 57.61 85.59 147.07 58.14 86.33 146.66 56.44 84.68 146.94 56.94 83.26 2 0 14.46-999 ?-999 ?-999 ? C8 PG5 B 166 mARG^B 75 144.99 57.99 85.57 144.43 57.56 84.86 144.57 58.44 87.94 144.92 59.19 88.85 144.50 58.95 86.51 143.07 59.33 86.15 2 0 13.58-999 ?-999 ?-999 ? C8 PG5 B 166 mALA^B 76 144.26 57.15 88.17 143.89 56.67 87.39 145.95 56.72 89.94 146.24 57.18 91.07 144.49 56.55 89.51 144.07 55.06 89.55 2 0 11.83-999 ?-999 ?-999 ? C8 PG5 B 166 mALA^B 77 146.87 56.42 89.02 146.49 56.12 88.15 148.70 57.98 89.62 149.49 58.24 90.53 148.30 56.51 89.31 149.11 55.95 88.17 2 0 15.19-999 ?-999 ?-999 ? C8 PG5 B 166 mGLU^B 78 148.16 58.92 88.87 147.62 58.57 88.11 147.95 60.71 90.60 148.69 61.37 91.34 148.37 60.36 89.16 147.58 61.25 88.17 2 0 17.19-999 ?-999 ?-999 ? C8 PG5 B 166 mLEU^B 79 146.76 60.23 90.99 146.27 59.70 90.29 147.13 59.83 93.40 147.35 60.42 94.46 146.24 60.47 92.32 144.77 60.03 92.44 3 0 15.86-999 ?-999 ?-999 ? C8 PG5 B 166 mCYH^B 80 147.60 58.60 93.16 147.25 58.16 92.32 149.78 58.89 94.25 150.21 59.12 95.37 148.55 57.97 94.07 148.98 56.59 93.58 2 0 16.72-999 ?-999 ?-999 ? C8 PG5 B 166 mALA^B 81 150.29 59.40 93.13 149.79 59.10 92.32 151.23 61.63 93.87 152.12 62.12 94.58 151.46 60.31 93.10 151.90 60.57 91.66 2 0 20.09-999 ?-999 ?-999 ? C8 PG5 B 166 mVAL^B 82 150.05 62.20 93.70 149.47 61.73 93.02 149.62 63.13 95.95 150.10 63.95 96.75 149.64 63.40 94.45 148.26 63.93 93.95 3 0 20.69-999 ?-999 ?-999 ? C8 PG5 B 166 mASN^B 83 149.10 61.96 96.34 148.72 61.39 95.61 150.51 61.29 98.27 150.81 61.59 99.42 149.10 61.57 97.74 148.16 60.39 97.97 2 0 20.28-999 ?-999 ?-999 ? C8 PG5 B 166 mILE^B 84 151.38 60.71 97.46 150.99 60.40 96.60 153.40 61.96 98.16 154.05 62.16 99.19 152.80 60.55 97.86 153.65 59.81 96.78 3 0 22.66-999 ?-999 ?-999 ? C8 PG5 B 166 mLEU^B 85 153.17 62.91 97.27 152.57 62.61 96.53 153.20 64.98 98.60 153.91 65.77 99.24 153.75 64.26 97.39 153.53 65.07 96.10 3 0 25.13-999 ?-999 ?-999 ? C8 PG5 B 166 mALA^B 86 151.93 64.73 98.92 151.44 64.15 98.27 152.01 64.71 101.38 152.29 65.45 102.33 151.33 65.29 100.13 149.82 65.08 100.12 2 0 25.01-999 ?-999 ?-999 ? C8 PG5 B 166 mGLN^B 87 152.36 63.42 101.36 152.09 62.92 100.53 154.49 63.40 102.60 154.96 63.72 103.71 153.08 62.83 102.50 153.13 61.29 102.39 2 0 25.82-999 ?-999 ?-999 ? O1 PG5 B 166 mVAL^B 88 155.15 63.55 101.46 154.65 63.24 100.65 156.51 65.56 101.96 157.38 65.93 102.75 156.51 64.12 101.42 157.13 64.05 100.01 3 0 28.67-999 ?-999 ?-999 ? C8 PG5 B 166 mLYS^B 89 155.52 66.34 101.57 154.87 65.90 100.95 155.31 67.73 103.55 156.03 68.47 104.24 155.44 67.73 102.04 154.24 68.44 101.41 2 0 30.08-999 ?-999 ?-999 ? C8 PG5 B 166 mALA^B 90 154.41 66.89 104.07 153.86 66.43 103.38 155.58 66.29 106.21 155.99 66.90 107.21 154.25 66.69 105.52 153.16 65.63 105.81 2 0 30.02-999 ?-999 ?-999 ? C1 PG5 B 166 mALA^B 91 156.24 65.26 105.67 155.77 64.85 104.89 158.61 65.92 106.24 159.48 65.92 107.13 157.55 64.79 106.17 158.08 63.64 105.28 2 0 31.22-999 ?-999 ?-999 ? O1 PG5 B 166 mLEU^B 92 158.53 66.83 105.26 157.74 66.69 104.67 158.99 69.25 105.68 159.52 70.33 105.32 159.49 67.92 105.08 159.79 68.11 103.60 3 0 34.35-999 ?-999 ?-999 ? O1 PG5 B 166 mASN^B 93 158.01 69.15 106.58 157.71 68.21 106.73 157.03 71.44 106.31 157.32 72.63 106.57 157.42 70.30 107.27 158.38 70.78 108.36 2 0 35.11-999 ?-999 ?-999 ? C1 PG5 B 166 mGLY^B 94 156.42 71.08 105.19 156.33 70.09 105.08 156.84 72.32 103.06 156.41 72.97 102.09 155.92 72.03 104.22-999.99-999.99-999.99 1 0 33.96-999 ?-999 ?-999 ? C8 PG5 B 166 mASP^B 95 158.09 71.85 103.14 158.23 71.17 103.86 159.55 71.22 101.21 160.50 70.46 101.43 159.15 72.29 102.24 160.37 72.77 103.06 2 0 35.48-999 ?-999 ?-999 ? C8 PG5 B 166 mLEU^B 96 158.85 71.22 100.08 158.14 71.92 100.03 160.41 70.53 98.28 160.85 69.68 97.50 159.10 70.27 99.00 157.95 70.31 97.99 3 0 33.16-999 ?-999 ?-999 ? C8 PG5 B 166 mSER^B 97 161.03 71.68 98.51 160.51 72.34 99.05 163.41 71.04 98.68 164.54 70.92 98.20 162.37 71.94 97.99 162.75 73.43 98.14 2 0 36.36-999 ?-999 ?-999 ? C8 PG5 B 166 mLYS^B 98 163.04 70.42 99.81 162.12 70.63 100.13 164.02 68.12 99.80 164.81 67.27 100.22 163.93 69.49 100.48 163.54 69.37 101.95 2 0 36.89-999 ?-999 ?-999 ? C8 PG5 B 166 mILE^B 99 163.23 67.88 98.75 162.53 68.58 98.59 164.71 66.80 97.17 164.86 67.76 96.42 163.41 66.67 97.94 162.27 66.47 96.90 3 0 34.35-999 ?-999 ?-999 ? C8 PG5 B 166 mARG^B 100 165.62 65.85 97.32 165.41 65.17 98.03 166.67 64.97 95.26 167.07 65.35 94.15 166.84 65.83 96.50 168.02 65.34 97.32 2 0 36.61-999 ?-999 ?-999 ? C8 PG5 B 166 mARG^B 101 166.07 63.80 95.44 165.77 63.65 96.38 164.78 61.85 94.74 164.77 61.37 95.87 165.89 62.83 94.36 167.20 62.07 94.17 2 0 33.96-999 ?-999 ?-999 ? C2 PG5 J 167 mVAL^B 102 163.85 61.59 93.82 163.85 62.20 93.03 163.70 59.25 93.57 164.05 59.09 92.41 162.91 60.48 94.00 161.61 60.67 93.19 3 0 30.57-999 ?-999 ?-999 ? C8 PG5 B 166 mILE^B 103 164.00 58.40 94.54 163.59 58.64 95.42 164.08 56.10 93.63 164.57 55.57 92.63 164.84 57.23 94.33 165.48 56.76 95.66 3 0 29.88-999 ?-999 ?-999 ? C2 PG5 J 167 mLYS^B 104 162.88 55.81 94.12 162.53 56.46 94.80 160.69 54.76 93.90 160.29 55.22 94.96 162.16 54.61 93.67 162.69 53.39 94.45 2 0 26.54-999 ?-999 ?-999 ? C2 PG5 J 167 mLEU^B 105 159.90 54.40 92.90 160.39 54.31 92.02 158.20 52.68 92.82 158.73 52.10 91.86 158.46 54.15 93.07 157.65 54.94 92.03 3 0 24.10-999 ?-999 ?-999 ? C2 PG5 J 167 mASN^B 106 157.37 52.08 93.66 157.17 52.61 94.48 155.35 50.90 93.05 154.56 51.35 93.88 156.82 50.75 93.38 157.00 49.79 94.56 2 0 21.82-999 ?-999 ?-999 ? C2 PG5 J 167 mGLY^B 107 155.00 50.55 91.80 155.74 50.12 91.27 152.91 49.46 91.18 153.27 48.58 90.40 153.67 50.77 91.26-999.99-999.99-999.99 1 0 19.09-999 ?-999 ?-999 ? C2 PG5 J 167 mPHE^B 108 151.86 49.33 92.01 151.67 50.14 92.57 149.74 48.37 91.40 148.99 49.26 91.79 151.08 48.13 92.08 150.85 47.72 93.53 3 0 16.70-999 ?-999 ?-999 ? O3 PG5 B 166 mVAL^B 109 149.47 47.60 90.37 150.15 46.88 90.21 147.32 46.58 89.65 147.69 45.47 89.24 148.27 47.80 89.56 148.62 48.04 88.08 3 0 13.97-999 ?-999 ?-999 ? C7 PG5 B 166 mALA^B 110 146.11 46.78 90.17 145.93 47.72 90.47 144.76 45.31 88.82 144.26 46.19 88.09 145.14 45.67 90.26 143.89 46.08 91.08 2 0 10.74-999 ?-999 ?-999 ? O3 PG5 B 166 mSER^B 111 145.04 44.06 88.41 145.30 43.44 89.14 144.26 42.35 86.83 144.43 41.41 87.62 144.98 43.66 87.02 146.41 43.46 86.46 2 0 11.61-999 ?-999 ?-999 ? C2 PG5 J 167 mVAL^B 112 143.52 42.24 85.74 143.22 43.10 85.33 144.46 40.28 84.60 145.37 41.01 84.18 143.20 40.88 85.25 141.98 40.83 84.29 3 0 9.95-999 ?-999 ?-999 ? O2 PG5 J 167 mPRO^B 113 144.55 38.95 84.55 143.74 38.46 84.87 146.10 38.56 82.58 147.24 38.35 82.17 145.79 38.30 84.05 145.53 36.82 84.31 3 0 7.28-999 ?-999 ?-999 ? O2 PG5 J 167 mGLU^B 114 145.11 38.97 81.81 144.22 38.97 82.26 145.85 40.79 80.28 146.28 41.19 79.17 145.33 39.37 80.41 144.05 39.21 79.59 2 0 -4.56-999 ?-999 ?-999 ? O2 PG5 J 167s mPHE^B 115 145.79 41.56 81.37 145.46 41.10 82.19 147.70 43.07 81.55 148.20 42.62 82.59 146.18 42.97 81.31 145.46 43.85 82.31 3 0 5.99-999 ?-999 ?-999 ? C2 PG5 J 167 mVAL^B 116 148.40 43.67 80.59 147.84 44.13 79.90 150.50 45.02 80.24 151.60 45.12 79.69 149.89 43.64 80.57 150.40 42.55 79.60 3 0 5.72-999 ?-999 ?-999 ? C2 PG5 J 167 mGLU^B 117 149.78 46.08 80.60 148.91 45.83 81.03 150.36 48.22 81.69 150.15 49.41 81.78 150.24 47.46 80.38 149.37 48.17 79.32 2 0 8.58-999 ?-999 ?-999 ? O1 PG5 J 167 mGLN^B 118 150.82 47.51 82.71 150.98 46.54 82.50 152.10 49.24 83.93 152.01 50.20 84.67 151.06 48.11 84.02 151.49 47.12 85.07 2 0 11.41-999 ?-999 ?-999 ? C2 PG5 J 167 mHIS^B 119 153.07 49.09 83.02 153.05 48.22 82.54 153.37 51.47 82.31 153.71 52.57 82.75 154.06 50.18 82.79 155.17 49.70 81.85 3 0 13.27-999 ?-999 ?-999 ? O1 PG5 J 167 mLEU^B 120 152.37 51.37 81.44 152.15 50.44 81.16 150.83 53.18 82.04 150.68 54.40 82.11 151.68 52.56 80.95 150.82 52.19 79.75 3 0 13.44-999 ?-999 ?-999 ? O1 PG5 J 167 mVAL^B 121 150.25 52.33 82.87 150.40 51.37 82.65 150.34 53.64 84.94 149.99 54.74 85.29 149.47 52.82 84.01 148.79 51.66 84.78 3 0 14.86-999 ?-999 ?-999 ? C2 PG5 J 167 mILE^B 122 151.49 53.10 85.34 151.70 52.22 84.92 153.00 55.02 85.69 153.39 55.92 86.43 152.34 53.78 86.31 153.35 52.84 86.97 3 0 17.39-999 ?-999 ?-999 ? C2 PG5 J 167 mASN^B 123 153.09 55.08 84.36 152.84 54.24 83.88 152.67 57.51 84.11 153.17 58.63 84.12 153.52 56.32 83.70 153.53 56.19 82.17 2 0 18.37-999 ?-999 ?-999 ? O1 PG5 J 167 mGLY^B 124 151.39 57.31 84.43 151.05 56.39 84.25 151.32 59.07 86.19 151.46 60.31 86.26 150.59 58.42 85.02-999.99-999.99-999.99 1 0 18.60-999 ?-999 ?-999 ? C8 PG5 B 166 mALA^B 125 151.81 58.23 87.11 151.62 57.26 86.92 153.91 59.25 87.87 154.29 60.34 88.28 152.55 58.70 88.29 152.73 57.59 89.30 2 0 19.99-999 ?-999 ?-999 ? C8 PG5 B 166 mSER^B 126 154.66 58.50 87.08 154.20 57.68 86.75 156.08 60.22 86.00 156.90 61.11 86.30 156.05 58.89 86.75 156.78 57.77 85.97 2 0 22.73-999 ?-999 ?-999 ? O1 PG5 J 167 mASN^B 127 155.19 60.38 85.05 154.58 59.60 84.91 154.80 62.82 85.18 155.38 63.89 85.07 155.15 61.64 84.28 154.16 61.52 83.12 2 0 23.65-999 ?-999 ?-999 ? O1 PG5 J 167 mLEU^B 128 153.83 62.65 86.07 153.42 61.74 86.07 154.58 64.14 87.86 154.90 65.34 88.01 153.42 63.72 86.96 152.20 63.29 87.79 3 0 23.37-999 ?-999 ?-999 ? C8 PG5 B 166 mILE^B 129 155.22 63.16 88.47 154.88 62.25 88.23 157.49 64.07 88.68 158.02 65.06 89.18 156.33 63.41 89.39 156.77 62.11 90.11 3 0 25.52-999 ?-999 ?-999 ? C8 PG5 B 166 mALA^B 130 157.90 63.55 87.53 157.39 62.73 87.25 158.63 65.60 86.28 159.49 66.50 86.28 158.99 64.17 86.76 159.39 63.31 85.61 2 0 28.09-999 ?-999 ?-999 ? O1 PG5 J 167 mTHR^B 131 157.36 65.82 85.90 156.78 65.00 85.92 156.95 68.20 86.61 157.39 69.32 86.39 156.87 67.15 85.49 155.44 67.07 84.94 2 0 28.33-999 ?-999 ?-999 ? C8 PG5 B 166 mVAL^B 132 156.57 67.83 87.81 156.36 66.85 87.91 157.82 69.01 89.57 158.09 70.10 90.09 156.46 68.79 88.89 155.32 68.43 89.90 3 0 28.76-999 ?-999 ?-999 ? C8 PG5 B 166 mLEU^B 133 158.66 67.98 89.56 158.32 67.19 89.06 161.13 68.30 89.27 162.21 68.67 89.72 159.98 68.06 90.23 160.26 66.78 91.06 3 0 31.11-999 ?-999 ?-999 ? C8 PG5 B 166 mGLY^B 134 160.95 68.08 87.97 160.00 67.88 87.72 162.98 66.97 87.13 162.60 65.89 87.60 162.04 68.14 87.03-999.99-999.99-999.99 1 0 32.71-999 ?-999 ?-999 ? O1 PG5 J 167 mGLU^B 135 164.23 67.18 86.76 164.44 68.12 86.50 165.29 65.30 88.06 165.42 64.07 88.03 165.20 66.10 86.74 166.58 66.62 86.36 2 0 32.43-999 ?-999 ?-999 ? O1 PG5 J 167 mPRO^B 136 165.25 65.98 89.21 165.22 66.98 89.13 164.08 64.27 90.68 164.11 63.39 91.55 165.25 65.24 90.49 165.14 66.34 91.54 3 0 33.34-999 ?-999 ?-999 ? O1 PG5 J 167 mGLY^B 137 163.02 64.49 89.90 163.11 65.28 89.30 162.04 62.31 89.24 161.20 61.41 89.43 161.86 63.63 89.94-999.99-999.99-999.99 1 0 30.27-999 ?-999 ?-999 ? O1 PG5 J 167 mARG^B 138 163.09 62.17 88.43 163.71 62.95 88.40 163.79 59.84 88.58 164.71 60.02 89.36 163.30 60.95 87.65 164.28 61.19 86.52 2 0 27.93-999 ?-999 ?-999 ? O1 PG5 J 167 mHIS^B 139 163.15 58.68 88.49 162.63 58.57 87.64 163.36 56.27 88.96 162.92 56.04 87.82 163.24 57.67 89.55 161.95 57.71 90.39 3 0 26.60-999 ?-999 ?-999 ? O1 PG5 J 167 mALA^B 140 163.93 55.35 89.75 164.39 55.74 90.55 162.47 53.45 89.75 161.73 54.12 90.47 163.89 53.91 89.44 164.89 53.11 90.27 2 0 24.66-999 ?-999 ?-999 ? C2 PG5 J 167 mARG^B 141 162.07 52.33 89.17 162.79 51.81 88.70 160.51 50.42 89.14 161.31 49.73 88.48 160.67 51.93 89.25 159.91 52.54 88.07 2 0 21.48-999 ?-999 ?-999 ? C2 PG5 J 167 mALA^B 142 159.44 49.92 89.77 159.09 50.51 90.50 157.35 48.83 89.12 156.72 49.68 89.76 158.85 48.63 89.40 159.03 47.64 90.51 2 0 18.86-999 ?-999 ?-999 ? C2 PG5 J 167 mALA^B 143 156.80 48.06 88.17 157.45 47.44 87.73 154.90 46.70 87.65 155.43 45.96 86.81 155.37 48.14 87.83 155.15 48.97 86.57 2 0 15.72-999 ?-999 ?-999 ? C2 PG5 J 167 mVAL^B 144 153.94 46.29 88.45 153.52 47.03 88.98 152.02 44.78 88.67 151.35 45.71 89.13 153.53 44.90 88.55 154.20 44.26 89.76 3 0 14.11-999 ?-999 ?-999 ? C2 PG5 J 167 mGLY^B 145 151.50 43.62 88.28 152.16 42.94 87.97 149.65 42.59 89.53 150.13 41.47 89.75 150.05 43.40 88.31-999.99-999.99-999.99 1 0 12.48-999 ?-999 ?-999 ? C2 PG5 J 167 mMETB 146 148.71 43.14 90.29 148.35 44.00 89.91 146.85 41.91 91.35 146.11 42.29 90.46 148.23 42.57 91.55 148.04 43.67 92.60 2 0 13.73-999 ?-999 ?-999 ? C3 PG5 B 166 mALA^B 147 146.52 40.95 92.20 147.25 40.71 92.84 144.09 41.32 92.56 142.98 41.30 92.04 145.18 40.31 92.17 145.13 39.15 93.11 2 0 11.17-999 ?-999 ?-999 ? C3 PG5 B 166 mSER^B 148 144.43 42.19 93.50 145.39 42.11 93.76 144.28 44.03 95.11 145.42 43.69 95.46 143.52 43.17 94.09 142.33 42.48 94.79 2 0 8.55-999 ?-999 ?-999 ? C3 PG5 B 166 mLEU^B 149 143.64 45.09 95.58 142.70 45.16 95.25 143.28 46.55 97.54 142.05 46.49 97.37 144.26 46.05 96.50 144.78 47.26 95.72 3 0 9.43-999 ?-999 ?-999 ? O1 PG5 B 166 mPRO^B 150 143.83 47.03 98.64 144.83 46.97 98.69 141.89 48.56 99.15 142.15 49.39 98.26 142.97 47.60 99.68 143.97 48.30 100.60 3 0 8.78-999 ?-999 ?-999 ? O1 PG5 B 166 mPHE^B 151 140.68 48.40 99.70 140.65 47.68 100.39 139.16 49.14 97.82 138.46 50.00 97.28 139.53 49.23 99.32 139.76 50.70 99.73 3 0 6.45-999 ?-999 ?-999 ? O1 PG5 B 166 mASN^B 152 139.65 48.08 97.16 140.17 47.44 97.72 140.08 48.96 94.88 139.71 49.16 93.70 139.44 47.88 95.75 137.95 47.70 95.45 2 0 -5.42-999 ?-999 ?-999 ? O1 PG5 B 166s mALA^B 153 141.10 49.62 95.43 141.26 49.40 96.39 142.42 49.95 93.38 142.82 48.75 93.39 141.90 50.60 94.66 143.09 51.07 95.51 2 0 8.78-999 ?-999 ?-999 ? C7 PG5 B 166 mSER^B 154 142.43 50.71 92.28 142.04 51.62 92.39 144.53 50.18 91.02 145.15 49.40 90.30 142.98 50.17 91.03 142.39 50.84 89.81 2 0 8.66-999 ?-999 ?-999 ? C8 PG5 B 166 mVAL^B 155 145.13 51.08 91.81 144.49 51.59 92.38 146.95 51.71 93.27 146.17 52.38 94.00 146.57 51.31 91.84 147.00 52.46 90.85 3 0 12.39-999 ?-999 ?-999 ? C8 PG5 B 166 mGLU^B 156 148.11 51.22 93.70 148.49 50.54 93.07 150.24 51.84 94.58 150.86 51.01 93.85 148.77 51.63 94.95 148.64 50.56 96.03 2 0 15.36-999 ?-999 ?-999 ? C7 PG5 B 166 mILE^B 157 150.82 52.91 95.09 150.22 53.44 95.69 152.91 53.71 96.07 152.39 54.55 96.79 152.21 53.27 94.80 152.32 54.44 93.76 3 0 18.79-999 ?-999 ?-999 ? C8 PG5 B 166 mASP^B 158 154.07 53.13 96.36 154.30 52.36 95.77 156.18 54.22 96.85 156.36 54.27 95.64 154.91 53.59 97.44 155.15 52.49 98.46 2 0 21.68-999 ?-999 ?-999 ? O1 PG5 B 166 mALA^B 159 157.02 54.77 97.72 156.81 54.59 98.68 159.25 55.64 98.28 159.03 55.57 99.47 158.14 55.57 97.27 157.71 56.97 96.94 2 0 25.42-999 ?-999 ?-999 ? O1 PG5 B 166 mILE^B 160 160.45 55.81 97.75 160.47 55.68 96.76 162.17 57.43 97.94 162.36 57.53 96.73 161.62 56.15 98.55 162.68 55.06 98.53 3 0 28.88-999 ?-999 ?-999 ? O1 PG5 B 166 mVAL^B 161 162.41 58.42 98.80 162.29 58.17 99.76 164.03 60.19 99.17 164.05 60.05 100.39 162.81 59.75 98.37 161.65 60.75 98.58 3 0 31.21-999 ?-999 ?-999 ? C8 PG5 B 166 mGLU^B 162 165.06 60.66 98.49 164.95 60.60 97.49 165.96 62.65 99.49 165.54 63.40 98.62 166.23 61.21 99.17 167.46 61.10 98.30 2 0 34.99-999 ?-999 ?-999 ? C8 PG5 B 166 mILE^B 163 166.20 63.04 100.74 166.67 62.36 101.31 166.97 65.11 101.86 167.99 64.50 102.21 165.81 64.36 101.21 164.62 64.30 102.21 3 0 36.34-999 ?-999 ?-999 ? C8 PG5 B 166 mASP^B 164 166.79 66.42 101.97 166.01 66.75 101.44 167.30 67.12 104.26 166.14 67.20 104.63 167.65 67.29 102.79 167.47 68.74 102.35 2 0 39.63-999 ?-999 ?-999 ? C8 PG5 B 166 mVAL^B 165 168.33 66.86 105.06 169.23 67.02 104.64 169.39 66.85 107.26 169.29 67.80 108.03 168.18 66.40 106.43 168.06 64.86 106.49 3 0 40.49-999 ?-999 ?-999 ? O1 PG5 B 166 mGLU^C 3 85.00 27.19 74.45 84.31 27.85 74.73 87.37 26.93 73.71 88.35 26.80 74.44 86.05 26.20 74.03 85.55 25.37 72.84 2 0 34.82-999 ?-999 ?-999 ? C1 PG5 L 166 mASN^C 4 87.37 27.73 72.64 86.55 27.66 72.07 88.58 29.73 73.40 89.66 30.24 73.72 88.51 28.61 72.35 88.40 29.21 70.94 2 0 31.50-999 ?-999 ?-999 ? C1 PG5 L 166 mLEU^C 5 87.41 30.12 73.91 86.62 29.66 73.50 87.86 30.63 76.30 88.45 31.38 77.07 87.30 31.13 74.97 85.82 31.50 75.15 3 0 32.24-999 ?-999 ?-999 ? C1 PG5 L 166 mTYR^C 6 87.66 29.35 76.59 87.08 28.85 75.94 89.78 28.98 77.76 90.36 29.43 78.75 88.25 28.76 77.76 87.90 27.28 77.86 3 0 35.62-999 ?-999 ?-999 ? C1 PG5 L 166 mPHE^C 7 90.43 28.66 76.64 89.83 28.31 75.92 92.31 30.28 76.48 93.32 30.64 77.08 91.88 28.83 76.52 92.43 28.06 75.30 3 0 34.12-999 ?-999 ?-999 ? C1 PG5 L 166 mGLN^C 8 91.55 31.12 75.81 90.82 30.70 75.27 91.78 33.01 77.35 92.63 33.79 77.78 91.80 32.55 75.88 90.78 33.32 75.04 2 0 31.50-999 ?-999 ?-999 ? C1 PG5 L 166 mGLY^C 9 90.81 32.50 78.10 90.19 31.89 77.61 91.84 32.38 80.35 92.39 33.17 81.12 90.66 32.82 79.51-999.99-999.99-999.99 1 0 34.62-999 ?-999 ?-999 ? C1 PG5 L 166 mMETC 10 92.21 31.10 80.21 91.60 30.58 79.61 94.64 31.37 80.61 95.42 31.59 81.52 93.39 30.54 80.87 93.63 29.11 80.39 2 0 36.71-999 ?-999 ?-999 ? C1 PG5 L 166 mSER^C 11 94.81 31.85 79.39 94.08 31.59 78.75 95.91 34.04 79.70 96.92 34.52 80.22 95.97 32.68 79.04 96.10 32.86 77.54 2 0 34.08-999 ?-999 ?-999 ? C1 PG5 L 166 mASP^C 12 94.73 34.66 79.69 94.00 34.20 79.18 94.96 35.77 81.85 95.56 36.69 82.41 94.53 35.90 80.40 93.05 36.32 80.39 2 0 33.55-999 ?-999 ?-999 ? C8 PG5 A 166 mVAL^C 13 94.59 34.65 82.47 94.10 33.99 81.90 96.40 34.33 84.09 96.95 34.89 85.03 94.89 34.44 83.88 94.21 33.16 84.42 3 0 35.68-999 ?-999 ?-999 ? C2 PG5 C 166 mILE^C 14 97.05 33.57 83.22 96.47 33.18 82.51 99.21 34.74 83.23 100.04 35.11 84.07 98.52 33.38 83.34 99.05 32.41 82.25 3 0 32.60-999 ?-999 ?-999 ? C2 PG5 C 166 mGLU^C 15 98.87 35.48 82.19 98.17 35.06 81.61 99.11 37.82 83.00 99.88 38.74 83.30 99.49 36.79 81.94 99.11 37.28 80.55 2 0 30.71-999 ?-999 ?-999 ? C2 PG5 C 166 mGLY^C 16 97.91 37.70 83.59 97.32 36.99 83.22 98.35 38.31 85.93 98.76 39.24 86.63 97.55 38.58 84.68-999.99-999.99-999.99 1 0 32.06-999 ?-999 ?-999 ? C2 PG5 C 166 mARG^C 17 98.57 37.03 86.23 98.15 36.38 85.60 100.78 37.22 87.24 101.35 37.68 88.22 99.35 36.65 87.38 99.43 35.13 87.54 2 0 30.89-999 ?-999 ?-999 ? C2 PG5 C 166 mLEU^C 18 101.30 37.23 86.02 100.70 36.84 85.32 102.68 39.29 86.01 103.63 39.82 86.58 102.65 37.78 85.76 103.09 37.48 84.34 3 0 27.31-999 ?-999 ?-999 ? C2 PG5 C 166 mLYS^C 19 101.63 39.98 85.58 100.98 39.45 85.04 101.40 41.65 87.42 101.97 42.63 87.92 101.47 41.41 85.91 100.25 42.00 85.23 2 0 27.75-999 ?-999 ?-999 ? C2 PG5 C 166 mGLU^C 20 100.74 40.76 88.17 100.29 40.04 87.64 102.09 40.72 90.27 102.33 41.24 91.36 100.70 40.84 89.63 99.78 39.77 90.19 2 0 28.79-999 ?-999 ?-999 ? C1 PG5 C 166 mLEU^C 21 102.99 40.00 89.60 102.63 39.54 88.78 105.21 41.14 89.60 106.33 41.34 90.10 104.38 39.91 90.04 105.01 38.62 89.52 3 0 25.44-999 ?-999 ?-999 ? C1 PG5 C 166 mGLY^C 22 104.67 41.94 88.69 103.81 41.61 88.32 105.91 43.20 86.91 106.63 44.14 86.56 105.30 43.20 88.30-999.99-999.99-999.99 1 0 23.82-999 ?-999 ?-999 ? C1 PG5 C 166 mPHE^C 23 105.60 42.17 86.13 104.96 41.52 86.54 105.08 42.00 83.70 104.04 41.37 83.83 106.15 42.01 84.80 106.95 40.71 84.71 3 0 23.01-999 ?-999 ?-999 ? C2 PG5 C 166 mTHR^C 24 105.39 42.68 82.61 106.16 43.31 82.72 105.54 41.70 80.40 106.79 41.74 80.51 104.67 42.52 81.36 104.32 43.90 80.75 2 0 24.63-999 ?-999 ?-999 ? C2 PG5 C 166 mLEU^C 25 104.92 40.93 79.51 103.93 40.89 79.61 106.21 41.20 77.41 105.48 42.02 76.91 105.67 40.22 78.48 104.79 39.16 77.79 3 0 24.55-999 ?-999 ?-999 ? C2 PG5 C 166 mPRO^C 26 107.49 41.09 77.06 108.06 40.47 77.60 107.46 41.26 74.61 107.00 40.11 74.60 107.97 41.87 75.92 109.49 41.72 76.02 3 0 22.92-999 ?-999 ?-999 ? C2 PG5 C 166 mVAL^C 27 107.54 42.03 73.53 107.73 43.00 73.72 108.64 40.79 71.72 108.74 39.54 71.71 107.35 41.47 72.19 106.91 42.53 71.16 3 0 24.39-999 ?-999 ?-999 ? C8 PG5 A 166 mALA^C 33 117.83 35.42 62.23 116.93 35.84 62.16 119.15 33.33 61.85 118.08 32.76 61.60 119.17 34.79 62.33 119.69 34.89 63.80 2 0 23.19-999 ?-999 ?-999 ? O4 PG5 C 166 mASN^C 34 120.34 32.72 61.73 121.12 33.33 61.88 120.16 30.34 62.58 120.07 29.12 62.44 120.47 31.28 61.40 121.86 30.99 60.85 2 0 24.64-999 ?-999 ?-999 ? O4 PG5 C 166 mTYR^C 35 120.00 30.95 63.75 120.35 31.88 63.79 118.14 31.10 65.20 118.04 32.29 64.89 119.38 30.29 64.88 120.30 30.18 66.09 3 0 23.42-999 ?-999 ?-999 ? O4 PG5 C 166 mVAL^C 36 117.18 30.41 65.80 117.48 29.49 66.09 115.56 30.88 67.53 116.20 30.13 68.29 115.86 30.89 66.03 114.86 30.06 65.19 3 0 24.68-999 ?-999 ?-999 ? O4 PG5 C 166 mPRO^C 37 114.59 31.70 67.97 114.16 32.28 67.29 113.62 30.37 69.95 113.67 30.12 71.15 114.25 31.67 69.42 113.31 32.86 69.60 3 0 23.88-999 ?-999 ?-999 ? O4 PG5 C 166 mPHE^C 38 113.04 29.57 69.06 113.02 29.91 68.12 112.29 27.36 68.31 112.23 27.80 67.15 112.47 28.28 69.49 111.12 28.46 70.20 3 0 26.97-999 ?-999 ?-999 ? O4 PG5 C 166 mTHR^C 39 112.24 26.08 68.62 112.48 25.88 69.57 110.83 24.14 68.30 110.78 24.03 69.50 111.84 25.05 67.64 113.03 24.18 67.18 2 0 29.98-999 ?-999 ?-999 ? O4 PG5 C 166 mILE^C 40 110.04 23.45 67.49 110.15 23.65 66.51 109.36 21.15 67.38 109.55 21.07 66.16 109.08 22.49 68.02 107.63 22.93 67.74 3 0 33.36-999 ?-999 ?-999 ? O4 PG5 C 166 mSER^C 41 109.43 20.12 68.19 109.43 20.36 69.16 108.46 17.92 68.40 108.50 17.77 69.61 109.52 18.76 67.68 110.90 18.16 67.89 2 0 35.61-999 ?-999 ?-999 ? O4 PG5 C 166 mGLY^C 42 107.50 17.39 67.64 107.62 17.48 66.65 105.59 17.68 69.12 105.17 18.74 68.67 106.37 16.72 68.25-999.99-999.99-999.99 1 0 38.93-999 ?-999 ?-999 ? O4 PG5 C 166 mASN^C 43 105.43 17.32 70.38 105.77 16.41 70.60 105.82 18.84 72.29 105.46 19.23 73.38 104.80 18.21 71.34 103.75 17.49 72.14 2 0 38.30-999 ?-999 ?-999 ? O4 PG5 C 166 mLEU^C 44 107.09 18.86 71.89 107.25 18.42 71.00 108.57 20.80 72.04 108.83 20.84 70.84 108.15 19.50 72.70 109.35 18.56 72.91 3 0 34.77-999 ?-999 ?-999 ? O4 PG5 C 166 mLEU^C 45 108.62 21.86 72.83 108.33 21.65 73.77 110.38 23.45 73.10 110.47 23.43 74.33 109.04 23.18 72.41 108.03 24.23 72.87 3 0 31.76-999 ?-999 ?-999 ? O4 PG5 C 166 mTYR^C 46 111.39 23.66 72.29 111.14 23.57 71.33 112.93 25.51 72.60 112.92 26.02 71.49 112.73 24.00 72.74 113.75 23.30 71.87 3 0 28.47-999 ?-999 ?-999 ? O4 PG5 C 166 mVAL^C 47 113.17 26.21 73.71 113.26 25.66 74.54 114.78 27.92 73.87 115.42 27.34 74.75 113.28 27.65 73.68 112.47 28.34 74.83 3 0 25.52-999 ?-999 ?-999 ? O4 PG5 C 166 mSER^C 48 115.32 28.78 73.01 114.68 29.09 72.30 117.05 29.91 74.43 116.18 30.52 75.06 116.72 29.23 73.11 117.04 30.17 71.95 2 0 22.10-999 ?-999 ?-999 ? O4 PG5 C 166 mGLY^C 49 118.32 29.87 74.81 118.91 29.28 74.26 118.33 32.08 75.90 118.61 32.81 74.92 118.79 30.64 75.96-999.99-999.99-999.99 1 0 19.05-999 ?-999 ?-999 ? O4 PG5 C 166 mGLN^C 50 117.59 32.47 76.93 117.37 31.74 77.57 117.99 34.59 78.14 118.38 34.05 79.17 117.14 33.84 77.12 115.67 33.87 77.57 2 0 17.89-999 ?-999 ?-999 ? C2 PG5 C 166 mLEU^C 51 118.23 35.85 77.83 117.86 36.12 76.94 118.00 37.69 79.42 116.80 37.69 79.15 118.97 36.76 78.67 119.91 37.58 77.81 3 0 14.23-999 ?-999 ?-999 ? C2 PG5 C 166 mPRO^C 52 118.51 38.42 80.39 119.50 38.38 80.49 117.28 40.54 80.59 117.68 41.60 81.07 117.64 39.21 81.24 118.44 39.37 82.53 3 0 13.15-999 ?-999 ?-999 ? C2 PG5 C 166 mMETC 53 116.52 40.45 79.50 116.24 39.52 79.30 114.99 42.34 79.34 113.97 41.73 79.72 116.15 41.61 78.69 115.70 41.21 77.30 2 0 14.50-999 ?-999 ?-999 ? C2 PG5 C 166 mGLU^C 54 115.13 43.65 79.43 116.02 44.00 79.15 114.15 45.78 79.13 115.23 46.37 79.08 114.04 44.48 79.90 114.17 44.72 81.39 2 0 15.64-999 ?-999 ?-999 ? C2 PG5 C 166 mSER^C 55 113.05 46.16 78.47 112.27 45.55 78.62 114.02 47.35 76.56 114.64 48.37 76.28 112.96 47.35 77.63 113.10 48.62 78.49 2 0 17.59-999 ?-999 ?-999 ? C2 PG5 C 166 mGLY^C 56 114.24 46.18 75.96 113.67 45.43 76.28 116.70 46.19 75.38 117.56 46.41 74.53 115.25 46.04 74.94-999.99-999.99-999.99 1 0 16.79-999 ?-999 ?-999 ? C2 PG5 C 166 mLYS^C 57 116.97 46.06 76.68 116.16 45.90 77.24 118.60 44.97 78.15 117.68 44.49 78.78 118.35 46.13 77.21 118.54 47.41 78.02 2 0 12.97-999 ?-999 ?-999 ? C2 PG5 C 166 mILE^C 58 119.87 44.57 78.27 120.51 45.02 77.64 120.26 44.28 80.58 121.06 45.20 80.82 120.26 43.56 79.25 121.66 42.94 78.97 3 0 10.30-999 ?-999 ?-999 ? C2 PG5 C 166 mALA^C 59 119.37 43.86 81.44 118.93 43.00 81.19 120.04 44.30 83.79 120.20 45.15 84.71 119.05 44.57 82.65 117.61 44.20 83.10 2 0 10.10-999 ?-999 ?-999 ? C2 PG5 C 166 mVAL^C 60 120.68 43.12 83.77 120.52 42.55 82.96 122.80 42.11 84.23 122.72 41.13 83.51 121.55 42.73 84.86 120.88 41.74 85.84 3 0 7.76-999 ?-999 ?-999 ? C2 PG5 C 166 mTHR^C 61 123.94 42.74 84.51 123.84 43.50 85.15 126.30 42.16 84.98 126.29 42.75 86.07 125.22 42.36 83.92 125.73 43.43 82.92 2 0 -4.62-999 ?-999 ?-999 ? C2 PG5 C 166s mGLY^C 62 127.28 41.35 84.61 127.14 40.95 83.70 128.29 39.76 86.22 127.29 39.02 86.09 128.44 41.07 85.45-999.99-999.99-999.99 1 0 -3.32-999 ?-999 ?-999 ? C3 PG5 C 166s mLEU^C 63 129.33 39.46 86.98 130.02 40.18 87.01 128.80 38.23 89.06 129.03 39.15 89.86 129.45 38.19 87.69 130.92 37.81 87.93 3 0 6.37-999 ?-999 ?-999 ? C3 PG5 C 166 mVAL^C 64 128.00 37.22 89.33 127.86 36.61 88.55 128.49 36.70 91.67 129.34 35.83 91.43 127.39 37.05 90.66 126.23 36.01 90.63 3 0 9.23-999 ?-999 ?-999 ? C3 PG5 C 166 mGLY^C 65 128.49 37.41 92.78 127.70 38.01 92.90 130.70 38.33 93.54 131.62 38.38 94.36 129.58 37.30 93.74-999.99-999.99-999.99 1 0 8.34-999 ?-999 ?-999 ? C4 PG5 B 166 mARG^C 66 130.59 39.16 92.50 129.80 38.97 91.92 130.82 41.56 91.89 130.93 42.54 92.58 131.53 40.26 92.24 132.50 39.89 91.09 2 0 -4.82-999 ?-999 ?-999 ? C4 PG5 B 166s mASP^C 67 130.04 41.51 90.81 129.99 40.59 90.40 127.89 42.70 90.75 127.31 43.78 90.83 129.34 42.64 90.25 129.37 42.54 88.74 2 0 -4.63-999 ?-999 ?-999 ? C1 PG5 C 166s mVAL^C 68 127.31 41.54 91.02 127.91 40.75 90.91 125.77 40.49 92.59 126.49 39.47 92.69 125.93 41.46 91.44 125.00 41.12 90.27 3 0 6.97-999 ?-999 ?-999 ? C1 PG5 C 166 mASP^C 69 124.79 40.82 93.45 124.33 41.68 93.25 123.31 39.03 94.24 122.80 39.07 93.12 124.44 39.98 94.59 124.12 40.84 95.82 2 0 10.66-999 ?-999 ?-999 ? C1 PG5 C 166 mVAL^C 70 122.98 38.13 95.16 123.49 38.21 96.02 120.60 37.76 94.54 119.96 37.34 93.58 121.95 37.12 94.90 121.81 36.09 96.03 3 0 13.72-999 ?-999 ?-999 ? C1 PG5 C 166 mALA^C 71 120.20 38.80 95.27 120.84 39.10 95.97 118.80 39.96 93.58 117.86 39.70 92.82 118.88 39.41 95.01 118.64 40.49 96.06 2 0 14.43-999 ?-999 ?-999 ? C1 PG5 C 166 mSER^C 72 119.82 40.72 93.18 120.51 40.90 93.87 119.90 40.10 90.75 119.29 40.23 89.68 119.87 41.23 91.82 121.07 42.16 91.63 2 0 11.29-999 ?-999 ?-999 ? C1 PG5 C 166 mALA^C 73 120.63 39.02 91.03 121.09 39.05 91.91 119.39 37.15 90.00 119.01 36.63 88.95 120.73 37.90 90.09 121.84 36.95 90.52 2 0 11.79-999 ?-999 ?-999 ? C1 PG5 C 166 mGLN^C 74 118.66 37.13 91.11 119.10 37.53 91.92 116.37 37.34 90.18 115.56 36.77 89.47 117.31 36.54 91.09 116.75 36.44 92.50 2 0 15.42-999 ?-999 ?-999 ? C1 PG5 C 166 mARG^C 75 116.47 38.65 90.22 117.07 39.00 90.94 116.17 39.23 87.85 115.34 39.21 86.93 115.75 39.49 89.29 115.97 40.95 89.62 2 0 14.80-999 ?-999 ?-999 ? C1 PG5 C 166 mALA^C 76 117.48 39.03 87.64 118.08 39.18 88.43 117.23 37.32 85.86 116.75 37.24 84.74 117.93 38.62 86.31 119.50 38.48 86.24 2 0 12.86-999 ?-999 ?-999 ? C2 PG5 C 166 mALA^C 77 117.19 36.32 86.74 117.62 36.53 87.61 115.08 35.23 86.13 114.56 34.62 85.20 116.59 35.05 86.45 116.78 34.10 87.64 2 0 15.99-999 ?-999 ?-999 ? C2 PG5 C 166 mGLU^C 78 114.40 36.04 86.93 114.93 36.38 87.70 112.83 36.92 85.25 111.92 36.51 84.49 112.98 36.37 86.65 112.46 37.38 87.67 2 0 18.28-999 ?-999 ?-999 ? C2 PG5 C 166 mLEU^C 79 113.71 37.85 84.87 114.39 38.10 85.56 113.90 37.42 82.43 113.23 37.44 81.38 113.64 38.44 83.54 114.57 39.65 83.43 3 0 16.70-999 ?-999 ?-999 ? C2 PG5 C 166 mCYH^C 80 114.90 36.54 82.63 115.46 36.72 83.43 113.81 34.61 81.55 113.44 34.26 80.45 115.11 35.42 81.71 116.22 34.51 82.21 2 0 17.08-999 ?-999 ?-999 ? C2 PG5 C 166 mALA^C 81 113.14 34.36 82.67 113.56 34.77 83.48 110.77 34.24 81.94 110.00 33.58 81.26 111.90 33.55 82.69 111.49 33.25 84.14 2 0 20.63-999 ?-999 ?-999 ? C2 PG5 C 166 mVAL^C 82 110.68 35.56 82.05 111.40 35.94 82.64 109.90 36.33 79.89 108.98 36.17 79.11 109.65 36.37 81.38 109.65 37.83 81.91 3 0 21.39-999 ?-999 ?-999 ? C2 PG5 C 166 mASN^C 83 111.18 36.38 79.50 111.84 36.50 80.24 111.27 34.87 77.53 110.79 34.76 76.40 111.55 36.26 78.08 113.00 36.69 77.84 2 0 20.54-999 ?-999 ?-999 ? C2 PG5 C 166 mILE^C 84 111.51 33.82 78.32 111.97 34.05 79.18 109.59 32.44 77.67 109.14 31.98 76.63 111.11 32.46 77.94 111.46 31.40 79.01 3 0 22.81-999 ?-999 ?-999 ? C2 PG5 C 166 mLEU^C 85 108.83 32.96 78.62 109.36 33.30 79.39 106.87 33.74 77.21 105.91 33.31 76.55 107.34 33.00 78.48 106.67 33.56 79.74 3 0 25.47-999 ?-999 ?-999 ? C2 PG5 C 166 mALA^C 86 107.56 34.83 76.86 108.27 35.09 77.51 107.51 34.73 74.40 106.71 34.77 73.48 107.28 35.58 75.64 108.08 36.88 75.60 2 0 25.28-999 ?-999 ?-999 ? C2 PG5 C 166 mGLN^C 87 108.60 33.95 74.38 109.18 34.01 75.19 107.83 31.97 73.13 107.33 31.67 72.02 108.86 33.07 73.23 110.24 32.45 73.29 2 0 25.98-999 ?-999 ?-999 ? C2 PG5 C 166 mVAL^C 88 107.51 31.35 74.27 108.04 31.66 75.06 105.11 30.87 73.86 104.40 30.21 73.09 106.48 30.32 74.34 106.35 29.72 75.76 3 0 28.73-999 ?-999 ?-999 ? C2 PG5 C 166 mLYS^C 89 104.74 32.06 74.31 105.37 32.45 74.98 103.50 32.82 72.31 102.56 32.39 71.64 103.49 32.70 73.82 103.27 34.07 74.46 2 0 30.26-999 ?-999 ?-999 ? C2 PG5 C 166 mALA^C 90 104.58 33.38 71.76 105.24 33.71 72.43 104.68 32.12 69.57 103.97 31.98 68.55 104.75 33.49 70.29 106.06 34.20 69.94 2 0 27.81-999 ?-999 ?-999 ? O4 PG5 A 166 mALA^C 91 105.38 31.11 70.10 105.95 31.40 70.88 103.91 29.13 69.61 103.59 28.31 68.74 105.33 29.72 69.61 106.26 28.81 70.45 2 0 30.12-999 ?-999 ?-999 ? C1 PG5 L 166 mLEU^C 92 103.10 29.52 70.60 103.51 30.23 71.18 100.64 29.92 70.28 99.45 29.82 70.66 101.73 28.99 70.82 101.49 28.71 72.30 3 0 30.37-999 ?-999 ?-999 ? C1 PG5 L 166 mASN^C 93 101.05 30.81 69.38 102.04 30.79 69.24 99.30 32.52 69.64 98.13 32.80 69.37 100.17 31.72 68.68 99.33 30.95 67.64 2 0 26.69-999 ?-999 ?-999 ? C1 PG5 L 166 mGLY^C 94 99.91 32.91 70.76 100.84 32.56 70.87 98.70 33.10 72.95 98.25 33.79 73.86 99.27 33.77 71.72-999.99-999.99-999.99 1 0 27.63-999 ?-999 ?-999 ? C1 PG5 L 166 mASP^C 95 98.73 31.77 73.01 99.18 31.33 72.23 99.05 30.28 75.08 99.35 29.10 74.86 98.11 31.04 74.14 97.03 30.08 73.63 2 0 30.98-999 ?-999 ?-999 ? C1 PG5 L 166 mLEU^C 96 99.45 30.94 76.16 99.21 31.91 76.17 99.42 29.09 77.89 100.01 28.33 78.65 100.18 30.28 77.24 100.61 31.30 78.31 3 0 33.14-999 ?-999 ?-999 ? C2 PG5 C 166 mSER^C 97 98.11 28.98 77.61 97.76 29.74 77.07 97.57 26.53 77.37 97.20 25.44 77.87 97.26 27.83 78.06 95.78 28.09 77.76 2 0 35.94-999 ?-999 ?-999 ? C1 PG5 L 166 mLYS^C 98 98.18 26.61 76.20 98.32 27.54 75.86 99.90 24.80 76.05 100.32 23.75 75.58 98.59 25.42 75.50 98.70 25.74 74.02 2 0 35.60-999 ?-999 ?-999 ? C1 PG5 L 166 mILE^C 99 100.51 25.43 77.06 100.19 26.37 77.19 100.96 23.61 78.70 100.11 23.85 79.57 101.55 24.77 77.89 102.21 25.76 78.91 3 0 34.71-999 ?-999 ?-999 ? C2 PG5 C 166 mARG^C 100 101.43 22.39 78.46 102.06 22.33 77.68 101.92 21.11 80.51 101.43 20.94 81.64 101.02 21.25 79.28 101.05 19.96 78.48 2 0 37.05-999 ?-999 ?-999 ? C2 PG5 C 166 mARG^C 101 103.24 21.20 80.29 103.51 21.27 79.33 105.49 21.82 80.94 105.94 21.60 79.82 104.18 21.18 81.37 104.47 19.76 81.82 2 0 34.02-999 ?-999 ?-999 ? O1 PG5 F 166 mVAL^C 102 106.07 22.61 81.84 105.48 22.89 82.60 108.31 21.83 82.16 108.34 21.44 83.32 107.47 23.03 81.72 107.78 24.29 82.54 3 0 30.80-999 ?-999 ?-999 ? O1 PG5 F 166 mILE^C 103 108.99 21.25 81.18 108.95 21.73 80.31 111.08 20.24 82.05 111.45 19.55 83.00 109.72 20.01 81.40 109.86 19.27 80.06 3 0 29.96-999 ?-999 ?-999 ? O1 PG5 F 166 mLYS^C 104 111.80 21.24 81.56 111.33 21.80 80.88 113.57 22.88 81.82 113.29 23.44 80.78 113.19 21.44 82.00 114.14 20.57 81.18 2 0 26.67-999 ?-999 ?-999 ? O1 PG5 F 166 mLEU^C 105 114.26 23.45 82.80 114.21 22.95 83.66 116.46 24.42 82.87 116.78 23.69 83.82 115.00 24.70 82.59 114.53 25.80 83.57 3 0 24.29-999 ?-999 ?-999 ? O1 PG5 F 166 mASN^C 106 117.34 25.01 82.05 116.93 25.40 81.23 119.14 26.49 82.66 119.06 27.35 81.78 118.77 25.07 82.35 119.59 24.56 81.19 2 0 21.95-999 ?-999 ?-999 ? O1 PG5 F 166 mGLY^C 107 119.58 26.70 83.90 119.66 25.88 84.47 121.42 28.17 84.50 122.08 27.47 85.25 119.92 28.00 84.40-999.99-999.99-999.99 1 0 18.91-999 ?-999 ?-999 ? C3 PG5 C 166 mPHE^C 108 121.94 29.07 83.69 121.26 29.52 83.12 123.63 30.69 84.31 123.07 31.68 83.87 123.36 29.37 83.63 123.76 29.47 82.19 3 0 16.13-999 ?-999 ?-999 ? C3 PG5 C 166 mVAL^C 109 124.47 30.72 85.35 124.93 29.85 85.52 126.16 32.33 86.08 127.04 31.55 86.49 124.68 31.94 86.16 124.31 31.68 87.67 3 0 13.21-999 ?-999 ?-999 ? C3 PG5 C 166 mALA^C 110 126.43 33.51 85.54 125.61 34.00 85.23 128.30 34.22 86.87 127.68 34.97 87.64 127.81 34.01 85.43 127.88 35.33 84.58 2 0 10.24-999 ?-999 ?-999 ? C3 PG5 C 166 mSER^C 111 129.37 33.52 87.24 129.87 33.12 86.48 131.26 33.49 88.85 132.03 32.96 88.04 129.77 33.37 88.66 129.38 31.97 89.20 2 0 11.22-999 ?-999 ?-999 ? C3 PG5 C 166 mVAL^C 112 131.68 34.13 89.94 131.00 34.73 90.37 133.14 32.52 91.05 132.12 31.95 91.44 133.06 33.92 90.41 133.54 35.04 91.38 3 0 10.02-999 ?-999 ?-999 ? C2 PG5 F 166 mPRO^C 113 134.35 31.90 91.07 135.12 32.43 90.72 134.10 30.34 93.06 133.89 29.20 93.47 134.44 30.53 91.57 135.90 30.16 91.32 3 0 7.19-999 ?-999 ?-999 ? O2 PG5 F 166 mGLU^C 114 134.07 31.42 93.85 134.40 32.25 93.40 132.10 31.48 95.37 131.58 31.28 96.50 133.61 31.39 95.23 134.24 32.51 96.07 2 0 4.59-999 ?-999 ?-999 ? C2 PG5 F 166 mPHE^C 115 131.41 31.82 94.29 131.96 31.97 93.46 129.35 30.58 94.16 129.60 29.91 93.14 129.96 31.96 94.36 129.39 32.93 93.37 3 0 6.49-999 ?-999 ?-999 ? O1 PG5 F 166 mVAL^C 116 128.54 30.17 95.13 128.34 30.86 95.82 126.50 28.68 95.45 126.01 27.66 95.95 128.02 28.77 95.15 128.80 27.86 96.13 3 0 5.90-999 ?-999 ?-999 ? O1 PG5 F 166 mGLU^C 117 125.77 29.75 95.14 126.31 30.50 94.76 123.59 29.99 94.02 122.59 30.69 93.93 124.32 29.80 95.34 123.97 30.88 96.38 2 0 8.81-999 ?-999 ?-999 ? O1 PG5 F 166 mGLN^C 118 124.11 29.36 92.95 124.98 28.90 93.10 121.96 28.81 91.77 121.10 29.21 91.02 123.39 29.38 91.68 124.14 28.63 90.60 2 0 11.65-999 ?-999 ?-999 ? O1 PG5 F 166 mHIS^C 119 121.72 27.86 92.68 122.55 27.56 93.16 119.41 28.46 93.39 118.27 28.58 92.92 120.34 27.34 92.91 120.38 26.13 93.87 3 0 13.44-999 ?-999 ?-999 ? O1 PG5 F 166 mLEU^C 120 119.91 29.32 94.28 120.85 29.13 94.55 118.81 31.44 93.69 117.71 32.00 93.61 119.11 30.43 94.79 119.83 31.10 95.96 3 0 13.83-999 ?-999 ?-999 ? O1 PG5 F 166 mVAL^C 121 119.80 31.67 92.85 120.64 31.18 93.05 118.51 32.07 90.78 117.58 32.82 90.43 119.62 32.58 91.72 120.94 32.81 90.92 3 0 15.15-999 ?-999 ?-999 ? O1 PG5 F 166 mILE^C 122 118.60 30.80 90.39 119.35 30.29 90.82 116.26 30.14 90.04 115.25 30.18 89.33 117.65 30.25 89.41 118.16 28.92 88.80 3 0 17.61-999 ?-999 ?-999 ? O1 PG5 F 166 mASN^C 123 116.19 30.02 91.38 117.08 29.89 91.83 114.08 31.32 91.67 112.84 31.27 91.68 114.88 30.09 92.08 115.04 30.04 93.61 2 0 18.70-999 ?-999 ?-999 ? O1 PG5 F 166 mGLY^C 124 114.75 32.43 91.34 115.73 32.40 91.51 113.12 33.18 89.60 111.94 33.53 89.55 114.04 33.58 90.77-999.99-999.99-999.99 1 0 19.62-999 ?-999 ?-999 ? C1 PG5 C 166 mALA^C 125 113.68 32.43 88.65 114.65 32.24 88.83 111.96 30.85 87.89 110.77 30.89 87.51 112.96 31.93 87.48 113.95 31.37 86.43 2 0 20.86-999 ?-999 ?-999 ? C2 PG5 C 166 mSER^C 126 112.41 29.85 88.63 113.35 29.98 88.94 110.31 29.15 89.71 109.19 28.68 89.42 111.57 28.69 88.94 112.35 27.66 89.76 2 0 22.99-999 ?-999 ?-999 ? O1 PG5 F 166 mASN^C 127 110.49 30.07 90.66 111.44 30.37 90.75 108.36 31.38 90.63 107.13 31.28 90.81 109.35 30.57 91.48 109.86 31.42 92.65 2 0 24.09-999 ?-999 ?-999 ? O1 PG5 F 166 mLEU^C 128 108.88 32.17 89.69 109.88 32.17 89.65 107.20 32.03 87.89 105.98 32.16 87.74 108.02 32.95 88.82 108.84 33.97 88.00 3 0 24.53-999 ?-999 ?-999 ? C2 PG5 C 166 mILE^C 129 107.88 31.06 87.30 108.85 31.03 87.55 106.15 29.29 87.06 105.04 29.12 86.52 107.23 30.14 86.36 108.29 29.27 85.62 3 0 26.39-999 ?-999 ?-999 ? C2 PG5 C 166 mALA^C 130 106.46 28.77 88.24 107.39 28.99 88.55 104.34 28.82 89.46 103.20 28.33 89.50 105.51 27.95 88.98 106.17 27.26 90.14 2 0 28.50-999 ?-999 ?-999 ? O1 PG5 F 166 mTHR^C 131 104.61 30.09 89.77 105.56 30.35 89.64 102.55 31.35 89.17 101.33 31.33 89.41 103.56 31.01 90.28 104.19 32.29 90.91 2 0 29.53-999 ?-999 ?-999 ? C1 PG5 C 166 mVAL^C 132 103.02 31.65 87.97 104.01 31.53 87.86 101.42 30.95 86.22 100.30 31.12 85.71 102.11 32.12 86.92 102.76 33.12 85.91 3 0 29.87-999 ?-999 ?-999 ? C2 PG5 C 166 mLEU^C 133 102.04 29.76 86.24 102.90 29.75 86.74 100.85 27.58 86.50 100.16 26.68 86.03 101.47 28.59 85.56 102.53 27.88 84.71 3 0 32.03-999 ?-999 ?-999 ? C2 PG5 C 166 mGLY^C 134 101.11 27.68 87.80 101.58 28.52 88.07 101.41 25.30 88.54 102.56 25.27 88.08 100.71 26.63 88.73-999.99-999.99-999.99 1 0 33.14-999 ?-999 ?-999 ? O1 PG5 F 166 mGLU^C 135 100.74 24.19 88.89 99.79 24.37 89.17 102.08 22.53 87.52 103.19 22.00 87.54 101.36 22.85 88.84 100.35 21.74 89.18 2 0 32.93-999 ?-999 ?-999 ? O1 PG5 F 166 mPRO^C 136 101.46 22.84 86.36 100.53 23.20 86.46 103.48 23.37 84.92 104.29 22.98 84.09 102.15 22.64 85.07 101.15 23.15 84.04 3 0 33.68-999 ?-999 ?-999 ? O1 PG5 F 166 mGLY^C 137 103.71 24.40 85.74 102.94 24.62 86.34 106.14 24.48 86.46 107.27 24.94 86.32 104.98 25.14 85.74-999.99-999.99-999.99 1 0 30.51-999 ?-999 ?-999 ? O1 PG5 F 166 mARG^C 138 105.87 23.45 87.27 104.91 23.17 87.28 107.74 21.92 87.14 107.22 21.13 86.37 106.91 22.79 88.05 106.31 22.02 89.22 2 0 28.17-999 ?-999 ?-999 ? O1 PG5 F 166 mHIS^C 139 109.05 22.10 87.22 109.35 22.58 88.04 111.18 21.00 86.80 111.56 21.33 87.92 109.95 21.62 86.19 110.41 22.81 85.35 3 0 26.67-999 ?-999 ?-999 ? O1 PG5 F 166 mALA^C 140 111.80 20.12 86.03 111.23 19.79 85.28 114.14 20.81 85.96 113.78 21.76 85.26 113.19 19.66 86.26 113.53 18.48 85.42 2 0 24.67-999 ?-999 ?-999 ? O1 PG5 F 166 mARG^C 141 115.37 20.70 86.46 115.61 19.81 86.85 117.70 21.49 86.54 118.03 20.53 87.24 116.24 21.86 86.40 115.91 22.79 87.56 2 0 21.57-999 ?-999 ?-999 ? O1 PG5 F 166 mALA^C 142 118.55 22.26 85.88 118.14 22.76 85.12 120.33 23.81 86.55 119.76 24.71 85.95 119.98 22.33 86.25 120.86 21.80 85.14 2 0 18.95-999 ?-999 ?-999 ? O1 PG5 F 166 mALA^C 143 121.25 24.03 87.50 121.61 23.20 87.92 123.20 25.28 88.01 123.74 24.49 88.81 121.68 25.37 87.88 121.01 25.83 89.21 2 0 15.87-999 ?-999 ?-999 ? O1 PG5 F 166 mVAL^C 144 123.89 26.05 87.18 123.34 26.71 86.66 126.03 27.26 86.93 125.42 28.29 86.49 125.35 25.91 87.05 125.68 24.97 85.88 3 0 14.37-999 ?-999 ?-999 ? O1 PG5 F 166 mGLY^C 145 127.30 27.30 87.34 127.67 26.42 87.65 128.97 28.64 86.10 129.81 27.76 85.86 128.07 28.55 87.32-999.99-999.99-999.99 1 0 12.81-999 ?-999 ?-999 ? O1 PG5 F 166 mMETC 146 128.80 29.73 85.35 128.14 30.36 85.75 130.63 31.01 84.31 130.59 31.82 85.24 129.49 29.99 84.09 128.49 30.63 83.08 2 0 13.78-999 ?-999 ?-999 ? C7 PG5 C 166 mALA^C 147 131.65 30.96 83.45 131.59 30.21 82.78 132.22 33.33 83.10 132.64 34.35 83.64 132.74 31.94 83.51 133.93 31.53 82.60 2 0 11.21-999 ?-999 ?-999 ? C7 PG5 C 166 mSER^C 148 131.30 33.33 82.15 131.06 32.41 81.84 129.64 34.16 80.59 129.54 32.97 80.21 130.71 34.55 81.60 131.74 35.44 80.90 2 0 8.64-999 ?-999 ?-999 ? C7 PG5 C 166 mLEU^C 149 128.89 35.16 80.13 129.17 36.06 80.47 127.67 36.06 78.18 128.21 37.15 78.38 127.76 34.97 79.22 126.43 34.94 79.99 3 0 9.60-999 ?-999 ?-999 ? C7 PG5 C 166 mPRO^C 150 126.98 35.77 77.05 126.61 34.84 77.00 126.32 38.11 76.58 125.43 38.14 77.46 126.81 36.76 76.01 125.76 36.14 75.11 3 0 9.29-999 ?-999 ?-999 ? O4 PG5 C 166 mPHE^C 151 126.93 39.19 76.09 127.67 38.96 75.46 126.79 40.88 77.94 126.25 41.83 78.49 126.56 40.58 76.45 125.10 40.88 76.04 3 0 7.27-999 ?-999 ?-999 ? O4 PG5 C 166 mASN^C 152 127.59 40.03 78.60 128.01 39.33 78.03 126.61 39.91 80.86 126.54 40.40 81.99 127.84 40.13 80.01 128.50 41.47 80.37 2 0 -5.88-999 ?-999 ?-999 ? O4 PG5 C 166s mALA^C 153 125.63 39.18 80.32 125.79 38.88 79.38 124.83 38.10 82.36 125.77 37.27 82.33 124.43 38.85 81.08 123.49 38.01 80.22 2 0 8.40-999 ?-999 ?-999 ? C2 PG5 C 166 mSER^C 154 124.13 38.35 83.46 123.42 39.05 83.36 123.83 36.22 84.73 124.33 35.33 85.43 124.42 37.64 84.71 123.96 38.48 85.92 2 0 8.45-999 ?-999 ?-999 ? C3 PG5 C 166 mVAL^C 155 122.76 36.04 83.96 122.51 36.85 83.42 121.53 34.58 82.47 121.13 35.56 81.76 122.02 34.80 83.90 120.78 34.81 84.88 3 0 12.22-999 ?-999 ?-999 ? C3 PG5 C 166 mGLU^C 156 121.56 33.32 82.04 122.04 32.70 82.66 120.17 31.61 81.09 120.66 30.75 81.82 120.94 32.88 80.77 122.00 32.59 79.71 2 0 14.98-999 ?-999 ?-999 ? C3 PG5 C 166 mILE^C 157 118.95 31.50 80.56 118.69 32.27 79.97 117.43 29.82 79.60 116.84 30.61 78.86 118.10 30.33 80.87 116.96 30.62 81.97 3 0 18.61-999 ?-999 ?-999 ? C3 PG5 C 166 mASP^C 158 117.58 28.53 79.31 118.24 28.05 79.89 115.72 26.98 78.81 115.64 26.77 80.02 116.82 27.89 78.21 117.73 27.19 77.20 2 0 21.92-999 ?-999 ?-999 ? C2 PG5 C 166 mALA^C 159 114.87 26.46 77.94 115.05 26.65 76.98 113.30 24.64 77.39 113.50 24.80 76.17 113.76 25.66 78.42 112.57 26.57 78.83 2 0 25.36-999 ?-999 ?-999 ? C2 PG5 C 166 mILE^C 160 112.72 23.58 77.92 112.85 23.52 78.91 110.57 22.58 77.77 110.41 22.44 78.99 111.97 22.59 77.16 112.60 21.17 77.22 3 0 29.09-999 ?-999 ?-999 ? C2 PG5 C 166 mVAL^C 161 109.56 22.73 76.92 109.85 22.74 75.96 107.31 21.87 76.54 107.41 21.82 75.30 108.17 22.86 77.36 107.68 24.29 77.13 3 0 31.22-999 ?-999 ?-999 ? C2 PG5 C 166 mGLU^C 162 106.49 21.08 77.23 106.59 21.16 78.22 104.30 21.01 76.27 103.79 21.70 77.15 105.55 20.19 76.55 105.20 19.00 77.41 2 0 35.05-999 ?-999 ?-999 ? C2 PG5 C 166 mILE^C 163 103.84 20.95 75.02 104.28 20.28 74.44 101.64 21.01 74.01 101.82 19.82 73.73 102.78 21.83 74.58 103.28 22.88 73.55 3 0 36.36-999 ?-999 ?-999 ? C2 PG5 C 166 mASP^C 164 100.47 21.64 73.89 100.45 22.52 74.38 99.53 21.26 71.62 99.51 22.38 71.12 99.34 21.09 73.11 98.06 21.78 73.54 2 0 37.12-999 ?-999 ?-999 ? C1 PG5 L 166 mGLU^D 3 195.66 48.74 91.08 196.58 48.64 90.68 193.24 49.01 90.57 192.25 48.29 90.59 194.30 48.90 91.67 194.23 50.12 92.58 2 0 47.87-999 ?-999 ?-999 ? O4 PG5 J 167 mASN^D 4 193.46 49.89 89.60 194.27 50.46 89.75 192.54 48.70 87.59 191.50 48.30 87.04 192.57 49.99 88.44 193.00 51.19 87.56 2 0 45.75-999 ?-999 ?-999 ? O4 PG5 J 167 mLEU^D 5 193.70 48.06 87.49 194.46 48.51 87.95 193.21 45.67 87.57 192.62 44.75 87.01 193.83 46.80 86.77 195.32 46.52 86.53 3 0 45.40-999 ?-999 ?-999 ? O4 PG5 J 167 mTYR^D 6 193.35 45.74 88.89 193.90 46.51 89.22 191.22 44.73 89.64 190.62 43.65 89.49 192.75 44.77 89.78 193.14 45.06 91.23 3 0 44.66-999 ?-999 ?-999 ? O4 PG5 J 167 mPHE^D 7 190.60 45.91 89.65 191.20 46.69 89.80 188.69 45.57 88.10 187.70 44.85 87.96 189.14 46.00 89.48 188.63 47.40 89.81 3 0 41.65-999 ?-999 ?-999 ? O4 PG5 J 167 mGLN^D 8 189.43 46.00 87.07 190.12 46.67 87.33 189.30 43.96 85.65 188.47 43.29 85.00 189.21 45.51 85.71 190.21 46.15 84.74 2 0 40.48-999 ?-999 ?-999 ? O4 PG5 J 167 mGLY^D 9 190.31 43.41 86.33 190.95 44.06 86.75 189.26 41.32 87.10 188.70 40.37 86.57 190.47 41.97 86.45-999.99-999.99-999.99 1 0 40.93-999 ?-999 ?-999 ? O4 PG5 J 167 mMETD 10 188.87 41.84 88.25 189.42 42.61 88.57 186.45 41.36 88.11 185.65 40.44 88.14 187.72 41.31 88.97 187.50 42.10 90.25 2 0 38.98-999 ?-999 ?-999 ? O4 PG5 J 167 mSER^D 11 186.31 42.43 87.33 187.05 43.09 87.39 185.20 41.54 85.36 184.20 40.96 85.00 185.13 42.57 86.46 185.04 43.95 85.85 2 0 36.10-999 ?-999 ?-999 ? O4 PG5 J 167 mASP^D 12 186.40 41.33 84.80 187.14 41.92 85.12 186.14 38.92 84.28 185.53 38.17 83.52 186.57 40.30 83.79 188.06 40.20 83.32 2 0 36.26-999 ?-999 ?-999 ? O4 PG5 J 167 mVAL^D 13 186.49 38.58 85.52 186.97 39.30 86.02 184.66 37.13 86.23 184.12 36.09 85.91 186.19 37.28 86.09 186.84 37.14 87.49 3 0 36.00-999 ?-999 ?-999 ? O4 PG5 J 167 mILE^D 14 184.02 38.17 86.71 184.63 38.94 86.93 181.87 37.93 85.55 181.09 36.97 85.38 182.54 38.17 86.90 182.06 39.49 87.57 3 0 32.93-999 ?-999 ?-999 ? O4 PG5 J 167 mGLU^D 15 182.18 38.76 84.57 182.84 39.47 84.82 181.96 37.28 82.57 181.17 36.71 81.82 181.60 38.59 83.25 181.98 39.74 82.35 2 0 31.06-999 ?-999 ?-999 ? O4 PG5 J 167 mGLY^D 16 183.16 36.78 82.86 183.74 37.35 83.44 182.78 34.37 82.98 182.39 33.43 82.32 183.58 35.49 82.35-999.99-999.99-999.99 1 0 32.41-999 ?-999 ?-999 ? O4 PG5 J 167 mARG^D 17 182.52 34.46 84.28 182.91 35.26 84.74 180.29 33.41 84.32 179.69 32.36 84.18 181.72 33.44 84.92 181.65 33.67 86.40 2 0 31.15-999 ?-999 ?-999 ? O4 PG5 J 167 mLEU^D 18 179.78 34.57 83.96 180.41 35.33 84.12 178.40 34.02 82.02 177.48 33.28 81.71 178.42 34.68 83.39 178.01 36.14 83.28 3 0 27.59-999 ?-999 ?-999 ? O4 PG5 J 167 mLYS^D 19 179.45 34.29 81.22 180.09 34.97 81.59 179.68 32.10 80.06 179.09 31.39 79.25 179.62 33.61 79.93 180.85 34.11 79.21 2 0 28.01-999 ?-999 ?-999 ? O4 PG5 J 167 mGLU^D 20 180.37 31.60 81.09 180.87 32.29 81.62 179.00 29.61 81.73 178.74 28.42 81.50 180.37 30.17 81.39 181.31 29.87 82.54 2 0 29.07-999 ?-999 ?-999 ? C8 PG5 J 167 mLEU^D 21 178.12 30.45 82.26 178.47 31.36 82.48 175.91 30.09 81.22 174.79 29.58 81.20 176.74 30.02 82.49 176.10 30.87 83.57 3 0 25.77-999 ?-999 ?-999 ? C8 PG5 J 167 mGLY^D 22 176.42 30.73 80.18 177.29 31.18 80.36 175.17 32.08 78.48 174.50 32.19 77.45 175.75 30.74 78.88-999.99-999.99-999.99 1 0 24.10-999 ?-999 ?-999 ? C8 PG5 J 167 mPHE^D 23 175.46 33.12 79.26 176.06 32.89 80.04 176.04 35.52 78.71 177.06 35.60 79.40 174.96 34.46 78.99 174.12 34.93 80.18 3 0 23.29-999 ?-999 ?-999 ? O4 PG5 J 167 mTHR^D 24 175.75 36.36 77.72 175.02 36.03 77.13 175.57 38.77 78.06 174.32 38.72 77.96 176.43 37.62 77.51 176.69 37.83 75.99 2 0 24.97-999 ?-999 ?-999 ? O4 PG5 J 167 mLEU^D 25 176.20 39.78 78.67 177.18 39.64 78.80 174.95 41.74 77.90 175.70 42.00 76.95 175.48 40.97 79.10 176.36 41.93 79.91 3 0 25.02-999 ?-999 ?-999 ? O4 PG5 J 167 mPRO^D 26 173.67 42.11 77.92 173.10 41.76 78.66 173.68 44.43 77.15 174.20 44.72 78.24 173.20 43.00 76.88 171.66 42.87 76.98 3 0 23.45-999 ?-999 ?-999 ? O4 PG5 J 167 mVAL^D 27 173.51 45.31 76.18 173.18 44.92 75.32 172.92 47.36 77.48 171.75 47.00 77.67 173.78 46.74 76.36 173.52 47.54 75.06 3 0 25.72-999 ?-999 ?-999 ? O4 PG5 J 167 mALA^D 33 163.25 58.10 79.52 164.17 58.01 79.16 161.87 59.09 81.34 162.92 59.53 81.83 161.89 58.23 80.05 161.28 56.82 80.31 2 0 22.52-999 ?-999 ?-999 ? O1 PG5 J 167 mASN^D 34 160.67 59.29 81.90 159.90 58.96 81.36 160.90 59.00 84.37 161.05 59.42 85.53 160.54 59.95 83.20 159.14 60.55 83.35 2 0 23.99-999 ?-999 ?-999 ? O1 PG5 J 167 mTYR^D 35 161.04 57.72 84.04 160.66 57.46 83.16 162.98 56.27 84.29 163.10 56.16 83.07 161.71 56.80 84.94 160.82 55.66 85.43 3 0 22.93-999 ?-999 ?-999 ? O1 PG5 J 167 mVAL^D 36 163.93 55.95 85.16 163.64 55.99 86.12 165.55 54.16 85.19 164.95 53.67 86.14 165.25 55.59 84.76 166.28 56.60 85.36 3 0 24.33-999 ?-999 ?-999 ? O1 PG5 J 167 mPRO^D 37 166.50 53.50 84.50 166.92 53.99 83.74 167.48 51.95 86.25 167.41 50.83 86.80 166.85 52.13 84.89 167.81 51.69 83.79 3 0 23.68-999 ?-999 ?-999 ? O1 PG5 J 167 mPHE^D 38 168.07 53.02 86.81 168.10 53.85 86.25 168.81 54.32 88.71 168.90 55.32 87.97 168.62 52.94 88.14 169.97 52.18 88.14 3 0 26.85-999 ?-999 ?-999 ? C2 PG5 J 167 mTHR^D 39 168.88 54.37 90.03 168.64 53.50 90.47 170.29 55.19 91.82 170.35 54.06 92.26 169.26 55.57 90.76 168.04 56.26 91.40 2 0 29.84-999 ?-999 ?-999 ? C2 PG5 J 167 mILE^D 40 171.08 56.17 92.25 170.97 57.04 91.75 171.74 56.97 94.46 171.54 58.16 94.20 172.02 55.99 93.35 173.47 56.14 92.89 3 0 33.29-999 ?-999 ?-999 ? C2 PG5 J 167 mSER^D 41 171.69 56.46 95.68 171.73 55.46 95.71 172.66 56.79 97.86 172.59 55.67 98.35 171.59 57.28 96.86 170.19 57.24 97.48 2 0 35.53-999 ?-999 ?-999 ? C2 PG5 J 167 mGLY^D 42 173.64 57.65 98.15 173.52 58.58 97.80 175.53 56.11 98.23 175.91 56.25 97.06 174.79 57.23 98.93-999.99-999.99-999.99 1 0 38.85-999 ?-999 ?-999 ? C2 PG5 J 167 mASN^D 43 175.69 54.99 98.92 175.35 55.03 99.86 175.30 52.72 98.00 175.67 51.56 97.88 176.32 53.81 98.33 177.42 53.25 99.22 2 0 38.23-999 ?-999 ?-999 ? C2 PG5 J 167 mLEU^D 44 174.03 53.10 97.90 173.85 54.05 98.15 172.52 52.49 96.04 172.19 53.62 95.72 172.99 52.16 97.45 171.82 52.13 98.42 3 0 34.71-999 ?-999 ?-999 ? C2 PG5 J 167 mLEU^D 45 172.50 51.45 95.22 172.81 50.60 95.66 170.74 50.77 93.79 170.67 49.62 94.18 172.08 51.50 93.84 173.07 50.78 92.95 3 0 31.72-999 ?-999 ?-999 ? C2 PG5 J 167 mTYR^D 46 169.71 51.48 93.35 169.97 52.43 93.16 168.14 50.71 91.68 168.15 51.63 90.89 168.34 50.97 93.16 167.32 52.03 93.59 3 0 28.39-999 ?-999 ?-999 ? C2 PG5 J 167 mVAL^D 47 167.95 49.45 91.31 167.92 48.78 92.05 166.32 48.87 89.69 165.65 48.18 90.47 167.80 49.10 89.92 168.59 47.83 89.58 3 0 25.49-999 ?-999 ?-999 ? C2 PG5 J 167 mSER^D 48 165.84 49.45 88.61 166.50 50.00 88.11 164.08 47.81 87.90 164.95 46.96 87.57 164.44 49.27 88.21 164.13 50.15 87.01 2 0 22.10-999 ?-999 ?-999 ? C2 PG5 J 167 mGLY^D 49 162.79 47.49 88.00 162.17 48.21 88.33 162.78 45.79 86.23 162.50 46.53 85.29 162.35 46.15 87.63-999.99-999.99-999.99 1 0 19.08-999 ?-999 ?-999 ? C2 PG5 J 167 mGLN^D 50 163.45 44.66 86.11 163.55 44.17 86.97 163.15 42.99 84.39 162.73 42.17 85.20 163.98 44.17 84.84 165.45 43.76 84.97 2 0 18.30-999 ?-999 ?-999 ? C7 PG5 J 167 mLEU^D 51 162.94 42.92 83.08 163.37 43.68 82.59 163.15 40.87 81.73 164.35 41.16 81.69 162.18 41.85 82.40 161.22 42.47 81.38 3 0 14.72-999 ?-999 ?-999 ? C7 PG5 J 167 mPRO^D 52 162.66 39.69 81.28 161.67 39.59 81.35 163.88 38.90 79.29 163.42 38.20 78.40 163.53 38.64 80.74 162.72 37.34 80.94 3 0 13.71-999 ?-999 ?-999 ? O4 PG5 J 167 mMETD 53 164.65 39.97 79.08 164.96 40.42 79.92 166.19 39.65 77.23 167.18 39.46 77.93 165.01 40.45 77.73 165.47 41.90 77.73 2 0 15.08-999 ?-999 ?-999 ? O4 PG5 J 167 mGLU^D 54 166.08 39.22 75.99 165.19 39.40 75.56 167.06 38.94 73.86 166.00 38.83 73.28 167.17 38.54 75.32 167.03 37.03 75.49 2 0 16.18-999 ?-999 ?-999 ? O4 PG5 J 167 mSER^D 55 168.16 39.44 73.29 168.96 39.48 73.90 167.10 40.93 71.66 166.46 40.92 70.61 168.18 39.89 71.92 168.02 38.70 70.96 2 0 18.04-999 ?-999 ?-999 ? O4 PG5 J 167 mGLY^D 56 166.88 41.80 72.64 167.42 41.65 73.47 164.44 42.52 72.56 163.59 43.39 72.32 165.92 42.88 72.49-999.99-999.99-999.99 1 0 17.37-999 ?-999 ?-999 ? O4 PG5 J 167 mLYS^D 57 164.11 41.27 72.91 164.90 40.68 73.08 162.48 40.17 74.38 163.40 39.60 74.98 162.71 40.84 73.03 162.35 39.81 71.96 2 0 13.53-999 ?-999 ?-999 ? O4 PG5 J 167 mILE^D 58 161.23 40.17 74.83 160.60 40.71 74.27 160.89 37.95 75.73 160.08 37.45 74.95 160.84 39.44 76.05 159.42 39.80 76.54 3 0 10.89-999 ?-999 ?-999 ? O4 PG5 J 167 mALA^D 59 161.83 37.23 76.33 162.32 37.72 77.05 161.12 34.85 76.53 160.96 33.75 76.00 162.10 35.85 75.96 163.52 35.46 76.38 2 0 10.53-999 ?-999 ?-999 ? O4 PG5 J 167 mVAL^D 60 160.47 35.19 77.62 160.62 36.14 77.93 158.35 34.93 78.71 158.37 35.88 79.53 159.61 34.21 78.29 160.24 33.53 79.49 3 0 8.13-999 ?-999 ?-999 ? O4 PG5 J 167 mTHR^D 61 157.23 34.50 78.12 157.35 33.74 77.48 154.82 34.25 78.93 154.81 33.03 78.72 155.95 35.17 78.44 155.38 35.94 77.24 2 0 5.16-999 ?-999 ?-999 ? O4 PG5 J 167 mGLY^D 62 153.88 34.85 79.63 154.04 35.83 79.77 152.85 33.71 81.60 153.87 33.99 82.26 152.72 34.11 80.14-999.99-999.99-999.99 1 0 -3.59-999 ?-999 ?-999 ? C7 PG5 J 167s mLEU^D 63 151.79 33.07 82.08 151.10 32.86 81.39 152.36 31.41 83.84 152.11 30.39 83.23 151.67 32.73 83.49 150.18 32.71 83.89 3 0 6.65-999 ?-999 ?-999 ? C7 PG5 J 167 mVAL^D 64 153.18 31.42 84.89 153.35 32.33 85.28 152.67 29.31 86.01 151.80 29.79 86.80 153.77 30.17 85.41 154.95 30.39 86.39 3 0 9.58-999 ?-999 ?-999 ? C7 PG5 J 167 mGLY^D 65 152.69 28.04 85.60 153.50 27.80 85.06 150.48 27.03 84.93 149.54 26.24 85.11 151.62 27.09 85.91-999.99-999.99-999.99 1 0 8.47-999 ?-999 ?-999 ? C5 PG5 J 166 mARG^D 66 150.56 27.81 83.85 151.33 28.45 83.86 150.31 27.76 81.40 150.25 26.79 80.64 149.59 27.73 82.74 148.60 28.91 82.82 2 0 -4.97-999 ?-999 ?-999 ? C5 PG5 J 166s mASP^D 67 151.03 28.85 81.13 151.03 29.53 81.86 153.21 28.58 79.93 153.79 28.27 78.88 151.76 29.03 79.89 151.77 30.50 79.52 2 0 -4.72-999 ?-999 ?-999 ? C8 PG5 J 167s mVAL^D 68 153.80 28.64 81.12 153.23 28.97 81.86 155.39 27.40 82.52 154.65 27.55 83.53 155.21 28.23 81.25 156.18 29.41 81.18 3 0 7.14-999 ?-999 ?-999 ? C8 PG5 J 167 mASP^D 69 156.38 26.52 82.47 156.87 26.51 81.60 157.83 26.22 84.42 158.35 27.27 84.08 156.68 25.64 83.59 157.00 24.22 83.13 2 0 10.80-999 ?-999 ?-999 ? C8 PG5 J 166 mVAL^D 70 158.19 25.54 85.50 157.71 24.67 85.62 160.57 26.26 85.70 161.24 27.30 85.85 159.21 26.08 86.40 159.37 25.25 87.67 3 0 13.26-999 ?-999 ?-999 ? C8 PG5 H 166 mALA^D 71 160.96 25.26 84.93 160.32 24.50 84.88 162.33 26.55 83.32 163.32 27.31 83.34 162.26 25.34 84.24 162.54 24.04 83.49 2 0 14.73-999 ?-999 ?-999 ? C8 PG5 J 167 mSER^D 72 161.27 26.78 82.53 160.54 26.11 82.57 161.25 29.28 82.46 161.87 30.28 82.06 161.27 27.96 81.66 160.11 27.93 80.68 2 0 11.61-999 ?-999 ?-999 ? C8 PG5 J 167 mALA^D 73 160.49 29.33 83.55 160.00 28.48 83.75 161.75 30.80 85.07 162.11 31.94 85.31 160.41 30.52 84.38 159.33 30.39 85.37 2 0 12.00-999 ?-999 ?-999 ? C8 PG5 J 167 mGLN^D 74 162.46 29.74 85.45 162.00 28.86 85.32 164.76 30.58 84.98 165.57 31.44 85.33 163.81 29.91 86.00 164.36 28.56 86.46 2 0 15.66-999 ?-999 ?-999 ? C8 PG5 J 167 mARG^D 75 164.63 30.21 83.71 164.00 29.45 83.56 164.91 32.32 82.52 165.77 33.19 82.32 165.34 30.86 82.65 165.10 30.12 81.34 2 0 15.04-999 ?-999 ?-999 ? C8 PG5 J 167 mALA^D 76 163.61 32.62 82.65 163.00 31.83 82.73 163.87 34.76 83.81 164.36 35.88 83.63 163.17 34.03 82.68 161.63 34.15 82.84 2 0 13.18-999 ?-999 ?-999 ? O4 PG5 J 167 mALA^D 77 163.93 34.12 84.97 163.54 33.21 84.97 166.06 34.97 85.88 166.57 36.01 86.23 164.54 34.72 86.13 164.32 33.86 87.33 2 0 16.27-999 ?-999 ?-999 ? C7 PG5 J 167 mGLU^D 78 166.73 34.01 85.27 166.19 33.19 85.10 168.29 35.40 84.00 169.19 36.22 84.23 168.15 34.18 84.88 168.67 32.92 84.17 2 0 18.59-999 ?-999 ?-999 ? O4 PG5 J 167 mLEU^D 79 167.41 35.54 82.99 166.73 34.82 82.93 167.21 37.99 82.78 167.93 38.98 82.53 167.47 36.66 82.07 166.52 36.44 80.88 3 0 17.09-999 ?-999 ?-999 ? O4 PG5 J 167 mCYH^D 80 166.22 38.04 83.67 165.64 37.22 83.72 167.30 39.58 85.25 167.67 40.76 85.31 166.02 39.21 84.51 164.90 38.99 85.52 2 0 17.55-999 ?-999 ?-999 ? C7 PG5 J 167 mALA^D 81 167.98 38.58 85.80 167.58 37.68 85.62 170.35 39.34 85.72 171.11 40.20 86.16 169.21 38.82 86.59 169.61 37.55 87.34 2 0 21.09-999 ?-999 ?-999 ? C7 PG5 J 167 mVAL^D 82 170.44 38.85 84.48 169.75 38.15 84.29 171.21 40.77 83.18 172.13 41.56 83.02 171.46 39.31 83.52 171.46 38.44 82.23 3 0 21.86-999 ?-999 ?-999 ? O4 PG5 J 167 mASN^D 83 169.93 41.12 83.08 169.28 40.37 83.23 169.81 43.42 83.95 170.26 44.56 83.75 169.54 42.49 82.77 168.09 42.54 82.27 2 0 21.07-999 ?-999 ?-999 ? O4 PG5 J 167 mILE^D 84 169.64 42.92 85.17 169.23 42.01 85.19 171.53 43.92 86.32 171.97 45.04 86.56 170.03 43.65 86.37 169.66 42.91 87.71 3 0 23.30-999 ?-999 ?-999 ? C7 PG5 J 167 mLEU^D 85 172.31 42.88 86.04 171.81 42.03 85.88 174.21 44.02 84.92 175.17 44.78 85.12 173.79 43.04 85.99 174.47 41.69 85.80 3 0 26.02-999 ?-999 ?-999 ? O4 PG5 J 167 mALA^D 86 173.51 44.04 83.78 172.79 43.35 83.73 173.59 46.43 83.24 174.41 47.32 83.00 173.80 45.03 82.73 172.99 44.78 81.47 2 0 25.80-999 ?-999 ?-999 ? O4 PG5 J 167 mGLN^D 87 172.51 46.65 83.99 171.92 45.85 84.14 173.29 48.35 85.56 173.76 49.49 85.57 172.25 47.98 84.52 170.86 48.06 85.13 2 0 26.54-999 ?-999 ?-999 ? C7 PG5 J 167 mVAL^D 88 173.65 47.41 86.43 173.18 46.54 86.31 175.99 47.99 86.83 176.66 48.92 87.27 174.64 47.64 87.46 174.78 46.44 88.44 3 0 29.23-999 ?-999 ?-999 ? C7 PG5 J 167 mLYS^D 89 176.36 47.28 85.78 175.70 46.57 85.52 177.61 48.97 84.54 178.58 49.73 84.76 177.63 47.54 85.08 177.84 46.51 83.98 2 0 30.84-999 ?-999 ?-999 ? O4 PG5 J 167 mALA^D 90 176.50 49.36 83.89 175.82 48.64 83.78 176.45 51.78 84.52 177.19 52.79 84.39 176.32 50.75 83.40 174.96 50.91 82.68 2 0 30.72-999 ?-999 ?-999 ? O1 PG5 J 167 mALA^D 91 175.75 51.51 85.63 175.17 50.70 85.54 177.25 52.53 87.37 177.57 53.60 87.90 175.81 52.31 86.86 174.97 51.64 87.97 2 0 31.90-999 ?-999 ?-999 ? O1 PG5 J 167 mLEU^D 92 178.08 51.49 87.23 177.70 50.74 86.69 180.49 51.75 86.76 181.68 51.40 86.95 179.42 51.47 87.81 179.67 50.15 88.52 3 0 35.08-999 ?-999 ?-999 ? C7 PG5 J 167 mASN^D 93 180.07 52.36 85.67 179.09 52.54 85.66 181.84 51.59 84.05 183.02 51.77 83.72 180.97 52.74 84.58 181.82 53.94 85.01 2 0 35.91-999 ?-999 ?-999 ? O1 PG5 J 167 mGLY^D 94 181.23 50.40 83.96 180.31 50.38 84.36 182.40 48.23 84.32 182.87 47.17 83.87 181.84 49.26 83.35-999.99-999.99-999.99 1 0 34.77-999 ?-999 ?-999 ? O4 PG5 J 167 mASP^D 95 182.33 48.50 85.62 181.83 49.33 85.86 182.07 46.93 87.62 181.79 47.49 88.68 182.98 47.61 86.60 184.08 48.37 87.35 2 0 35.88-999 ?-999 ?-999 ? O4 PG5 J 167 mLEU^D 96 181.67 45.69 87.31 181.95 45.39 86.40 181.63 44.52 89.54 181.03 43.98 90.46 180.88 44.88 88.25 180.33 43.60 87.57 3 0 33.58-999 ?-999 ?-999 ? O4 PG5 J 167 mSER^D 97 182.93 44.79 89.58 183.29 45.20 88.74 183.56 45.56 91.86 183.97 45.35 93.02 183.76 44.52 90.76 185.24 44.46 90.34 2 0 36.92-999 ?-999 ?-999 ? O4 PG5 J 167 mLYS^D 98 182.91 46.67 91.51 182.70 46.73 90.53 181.22 47.43 93.18 180.75 48.23 93.97 182.55 47.70 92.46 182.54 49.02 91.74 2 0 37.69-999 ?-999 ?-999 ? C7 PG5 J 167 mILE^D 99 180.61 46.28 92.89 180.93 45.83 92.06 180.14 45.29 95.07 181.05 44.42 95.09 179.55 45.76 93.75 178.80 44.57 93.11 3 0 35.11-999 ?-999 ?-999 ? C7 PG5 J 167 mARG^D 100 179.65 45.84 96.17 178.97 46.57 96.02 179.21 44.25 97.93 179.69 43.28 98.50 180.08 45.39 97.48 180.04 46.54 98.48 2 0 37.34-999 ?-999 ?-999 ? C7 PG5 J 167 mARG^D 101 177.92 44.37 97.66 177.68 45.17 97.12 175.61 43.62 97.41 175.15 44.76 97.30 176.95 43.38 98.12 176.78 43.52 99.65 2 0 34.02-999 ?-999 ?-999 ? O4 PG5 H 166 mVAL^D 102 175.02 42.54 96.91 175.61 41.74 96.84 172.78 42.50 97.77 172.77 41.50 98.49 173.62 42.57 96.50 173.30 41.46 95.49 3 0 30.79-999 ?-999 ?-999 ? O4 PG5 H 166 mILE^D 103 172.09 43.59 98.08 172.10 44.32 97.39 170.04 42.94 99.26 169.68 42.21 100.18 171.39 43.68 99.34 171.18 45.17 99.74 3 0 30.05-999 ?-999 ?-999 ? O4 PG5 H 166 mLYS^D 104 169.33 43.13 98.15 169.84 43.59 97.42 167.57 42.46 96.60 167.84 43.30 95.75 167.93 42.68 98.05 166.98 43.74 98.65 2 0 26.75-999 ?-999 ?-999 ? O4 PG5 H 166 mLEU^D 105 166.91 41.33 96.32 166.98 40.64 97.05 164.68 40.99 95.40 164.35 40.32 96.36 166.16 41.14 95.06 166.61 39.88 94.31 3 0 24.29-999 ?-999 ?-999 ? O4 PG5 H 166 mASN^D 106 163.82 41.66 94.65 164.25 42.34 94.06 161.97 40.70 93.47 162.05 41.29 92.42 162.37 41.39 94.72 161.55 42.66 94.90 2 0 22.01-999 ?-999 ?-999 ? C6 PG5 H 166 mGLY^D 107 161.55 39.44 93.59 161.48 39.11 94.53 159.74 38.48 92.29 159.07 37.91 93.16 161.24 38.62 92.45-999.99-999.99-999.99 1 0 19.13-999 ?-999 ?-999 ? C7 PG5 J 167 mPHE^D 108 159.24 38.99 91.19 159.94 39.39 90.59 157.57 37.97 89.79 158.10 38.08 88.69 157.84 39.00 90.85 157.47 40.38 90.34 3 0 16.29-999 ?-999 ?-999 ? C7 PG5 J 167 mVAL^D 109 156.75 36.97 90.10 156.35 37.02 91.01 154.99 35.86 88.72 154.14 35.66 89.55 156.48 35.89 89.13 156.82 34.52 89.79 3 0 13.48-999 ?-999 ?-999 ? C7 PG5 J 167 mALA^D 110 154.69 36.05 87.44 155.50 36.23 86.88 152.83 34.58 87.14 153.44 33.65 86.57 153.29 36.00 86.95 153.21 36.38 85.47 2 0 10.47-999 ?-999 ?-999 ? C7 PG5 J 167 mSER^D 111 151.77 34.40 87.94 151.27 35.24 88.17 149.89 32.84 88.33 149.10 33.75 88.60 151.38 33.07 88.44 151.72 32.98 89.94 2 0 11.43-999 ?-999 ?-999 ? C6 PG5 H 166 mVAL^D 112 149.47 31.61 88.03 150.16 31.01 87.63 148.01 30.97 89.81 149.04 30.74 90.41 148.07 31.24 88.30 147.57 30.02 87.47 3 0 9.65-999 ?-999 ?-999 ? C6 PG5 H 166 mPRO^D 113 146.83 31.12 90.44 146.05 31.33 89.86 147.09 29.59 92.46 147.33 29.47 93.66 146.76 30.98 91.90 145.29 31.29 92.18 3 0 7.11-999 ?-999 ?-999 ? C6 PG5 H 166 mGLU^D 114 147.12 28.56 91.62 146.84 28.78 90.69 149.04 27.05 92.01 149.57 26.05 92.54 147.52 27.22 92.07 146.86 26.09 91.27 2 0 -4.22-999 ?-999 ?-999 ? C6 PG5 H 166s mPHE^D 115 149.71 28.02 91.39 149.16 28.77 91.02 151.78 28.52 92.55 151.54 29.66 92.88 151.16 27.94 91.27 151.71 28.63 90.03 3 0 6.27-999 ?-999 ?-999 ? C7 PG5 H 166 mVAL^D 116 152.60 27.71 93.24 152.80 26.84 92.79 154.65 27.78 94.67 155.16 27.54 95.76 153.14 28.09 94.55 152.34 27.41 95.68 3 0 5.96-999 ?-999 ?-999 ? O4 PG5 H 166 mGLU^D 117 155.35 27.83 93.56 154.81 28.04 92.75 157.55 28.82 93.05 158.58 28.73 92.35 156.79 27.60 93.56 157.10 26.29 92.80 2 0 8.60-999 ?-999 ?-999 ? O4 PG5 H 166 mGLN^D 118 157.07 30.00 93.45 156.25 29.97 94.01 159.20 31.26 93.59 160.05 31.84 92.97 157.76 31.23 93.04 157.01 32.46 93.48 2 0 11.60-999 ?-999 ?-999 ? O4 PG5 H 166 mHIS^D 119 159.43 30.65 94.75 158.61 30.27 95.17 161.74 29.79 94.36 162.88 30.19 94.13 160.80 30.56 95.32 160.78 29.94 96.72 3 0 13.36-999 ?-999 ?-999 ? O4 PG5 H 166 mLEU^D 120 161.25 28.70 93.76 160.31 28.47 94.01 162.35 28.72 91.55 163.43 28.67 90.97 162.07 27.93 92.82 161.37 26.61 92.46 3 0 13.62-999 ?-999 ?-999 ? O4 PG5 H 166 mVAL^D 121 161.36 29.45 91.09 160.51 29.35 91.60 162.65 31.36 90.15 163.57 31.50 89.35 161.55 30.32 89.91 160.20 31.01 89.48 3 0 14.94-999 ?-999 ?-999 ? O4 PG5 H 166 mILE^D 122 162.57 32.08 91.26 161.81 31.82 91.85 164.88 32.58 91.88 165.88 33.26 91.69 163.53 33.16 91.56 163.04 34.15 92.65 3 0 17.50-999 ?-999 ?-999 ? O4 PG5 H 166 mASN^D 123 164.94 31.31 92.31 164.05 30.90 92.51 167.07 30.72 91.15 168.29 30.76 91.20 166.25 30.61 92.45 166.10 29.15 92.90 2 0 18.47-999 ?-999 ?-999 ? O4 PG5 H 166 mGLY^D 124 166.43 30.76 89.98 165.44 30.63 90.05 168.04 32.22 88.79 169.24 32.20 88.48 167.16 30.98 88.71-999.99-999.99-999.99 1 0 19.87-999 ?-999 ?-999 ? C8 PG5 J 167 mALA^D 125 167.45 33.30 89.25 166.48 33.16 89.46 169.17 34.51 90.58 170.34 34.90 90.43 168.16 34.59 89.43 167.15 35.68 89.71 2 0 21.12-999 ?-999 ?-999 ? C7 PG5 J 167 mSER^D 126 168.71 34.03 91.74 167.77 33.71 91.71 170.84 33.14 92.69 171.97 33.54 93.03 169.58 34.00 92.94 168.81 33.53 94.18 2 0 22.83-999 ?-999 ?-999 ? O4 PG5 H 166 mASN^D 127 170.66 31.99 92.05 169.72 31.80 91.76 172.81 31.71 90.85 174.05 31.65 91.08 171.81 31.09 91.82 171.35 29.71 91.30 2 0 23.85-999 ?-999 ?-999 ? C8 PG5 H 166 mLEU^D 128 172.30 32.31 89.79 171.31 32.24 89.71 173.95 34.13 89.47 175.16 34.22 89.29 173.15 33.00 88.82 172.32 33.55 87.64 3 0 24.85-999 ?-999 ?-999 ? C8 PG5 J 167 mILE^D 129 173.28 34.98 90.23 172.31 34.75 90.34 175.00 35.68 91.83 176.12 36.21 91.85 173.93 36.15 90.85 172.88 37.08 91.55 3 0 26.78-999 ?-999 ?-999 ? O4 PG5 J 167 mALA^D 130 174.66 34.69 92.65 173.73 34.34 92.52 176.77 33.48 92.96 177.92 33.58 93.44 175.60 34.18 93.64 174.91 33.26 94.60 2 0 28.28-999 ?-999 ?-999 ? O4 PG5 H 166 mTHR^D 131 176.52 32.79 91.86 175.55 32.77 91.61 178.60 33.14 90.49 179.83 32.96 90.61 177.60 32.14 91.10 177.02 31.22 90.01 2 0 29.68-999 ?-999 ?-999 ? C8 PG5 H 166 mVAL^D 132 178.12 34.19 89.85 177.12 34.27 89.89 179.71 36.09 90.10 180.84 36.55 89.82 179.02 35.11 89.14 178.34 35.85 87.96 3 0 30.24-999 ?-999 ?-999 ? O4 PG5 J 167 mLEU^D 133 179.06 36.41 91.21 178.20 35.92 91.34 180.28 36.78 93.38 181.02 37.47 94.07 179.60 37.40 92.15 178.49 38.35 92.61 3 0 32.39-999 ?-999 ?-999 ? O4 PG5 J 167 mGLY^D 134 180.02 35.51 93.65 179.49 35.03 92.96 179.75 35.34 96.10 178.55 35.70 96.02 180.49 34.89 94.87-999.99-999.99-999.99 1 0 33.05-999 ?-999 ?-999 ? O4 PG5 H 166 mGLU^D 135 180.44 35.36 97.24 181.40 35.08 97.15 179.05 37.08 98.43 177.92 37.14 98.91 179.82 35.76 98.51 180.81 35.81 99.68 2 0 32.87-999 ?-999 ?-999 ? O4 PG5 H 166 mPRO^D 136 179.65 38.13 97.85 180.58 37.96 97.52 177.60 39.34 96.97 176.76 40.20 97.17 178.95 39.42 97.71 179.91 40.28 96.90 3 0 33.58-999 ?-999 ?-999 ? O4 PG5 H 166 mGLY^D 137 177.42 38.32 96.15 178.23 37.73 96.04 175.01 37.53 96.31 173.87 37.53 95.85 176.15 38.09 95.46-999.99-999.99-999.99 1 0 30.41-999 ?-999 ?-999 ? O4 PG5 H 166 mARG^D 138 175.29 37.04 97.52 176.26 37.08 97.77 173.41 37.67 98.96 173.95 38.63 99.48 174.22 36.51 98.37 174.80 35.60 99.44 2 0 28.12-999 ?-999 ?-999 ? O4 PG5 H 166 mHIS^D 139 172.09 37.56 98.86 171.79 36.62 98.68 169.94 38.29 99.79 169.56 37.10 99.78 171.19 38.69 98.99 170.75 39.15 97.57 3 0 26.74-999 ?-999 ?-999 ? O4 PG5 H 166 mALA^D 140 169.32 39.25 100.46 169.87 40.08 100.60 167.00 39.08 99.75 167.34 39.51 98.65 167.96 39.10 100.96 167.57 40.21 101.93 2 0 24.81-999 ?-999 ?-999 ? O4 PG5 H 166 mARG^D 141 165.77 38.61 99.97 165.53 38.44 100.93 163.45 38.30 99.22 163.14 37.91 100.34 164.90 38.37 98.82 165.23 37.02 98.20 2 0 21.70-999 ?-999 ?-999 ? O4 PG5 H 166 mALA^D 142 162.59 38.70 98.29 163.02 39.25 97.58 160.83 37.66 97.00 161.38 37.99 95.93 161.16 38.36 98.32 160.27 39.61 98.52 2 0 19.13-999 ?-999 ?-999 ? O4 PG5 H 166 mALA^D 143 159.96 36.65 97.07 159.69 36.45 98.01 157.95 35.83 96.02 157.41 35.26 96.99 159.46 35.92 95.89 160.10 34.50 95.77 2 0 15.96-999 ?-999 ?-999 ? O4 PG5 H 166 mVAL^D 144 157.27 36.43 95.06 157.85 36.75 94.31 155.12 36.30 93.81 155.73 36.41 92.72 155.81 36.59 95.13 155.48 37.98 95.65 3 0 14.15-999 ?-999 ?-999 ? C6 PG5 H 166 mGLY^D 145 153.85 35.93 93.90 153.50 35.91 94.84 152.14 36.74 92.30 151.30 37.19 93.08 153.04 35.59 92.72-999.99-999.99-999.99 1 0 12.21-999 ?-999 ?-999 ? C6 PG5 H 166 mMETD 146 152.29 37.15 91.04 152.92 36.58 90.53 150.49 37.86 89.52 150.56 36.77 88.93 151.64 38.31 90.45 152.63 39.13 89.62 2 0 13.75-999 ?-999 ?-999 ? O2 PG5 J 167 mALA^D 147 149.47 38.71 89.37 149.54 39.51 89.97 148.91 38.47 86.98 148.48 37.67 86.17 148.37 38.47 88.41 147.26 39.55 88.50 2 0 11.27-999 ?-999 ?-999 ? O2 PG5 J 167 mSER^D 148 149.82 39.40 86.68 150.08 39.97 87.46 151.49 40.63 85.46 151.61 41.29 86.53 150.39 39.56 85.35 149.32 40.03 84.34 2 0 8.67-999 ?-999 ?-999 ? O2 PG5 J 167 mLEU^D 149 152.25 40.81 84.38 151.97 40.25 83.59 153.46 42.45 83.01 152.93 41.99 81.99 153.38 41.74 84.33 154.71 41.00 84.58 3 0 9.62-999 ?-999 ?-999 ? C2 PG5 J 167 mPRO^D 150 154.12 43.62 83.02 154.48 43.92 83.90 154.74 43.49 80.58 155.65 42.67 80.73 154.26 44.36 81.78 155.32 45.42 82.14 3 0 9.18-999 ?-999 ?-999 ? C2 PG5 J 167 mPHE^D 151 154.14 43.72 79.41 153.44 44.43 79.45 154.31 41.44 78.29 154.85 40.65 77.49 154.52 42.96 78.18 155.99 43.25 77.77 3 0 7.11-999 ?-999 ?-999 ? O1 PG5 J 167 mASN^D 152 153.51 41.04 79.28 153.12 41.79 79.81 154.51 38.87 80.01 154.56 37.65 79.88 153.26 39.63 79.57 152.59 38.98 78.36 2 0 -5.97-999 ?-999 ?-999 ? O2 PG5 J 167s mALA^D 153 155.52 39.57 80.54 155.39 40.56 80.51 156.30 37.88 82.12 155.37 38.10 82.91 156.71 38.94 81.11 157.61 39.96 81.85 2 0 8.65-999 ?-999 ?-999 ? C7 PG5 J 167 mSER^D 154 157.00 36.75 82.14 157.69 36.65 81.42 157.29 36.11 84.56 156.77 35.69 85.57 156.72 35.76 83.18 157.14 34.35 82.75 2 0 8.60-999 ?-999 ?-999 ? C7 PG5 J 167 mVAL^D 155 158.36 36.90 84.56 158.62 37.21 83.64 159.61 38.72 85.53 160.01 39.11 84.42 159.10 37.28 85.75 160.30 36.31 86.00 3 0 12.37-999 ?-999 ?-999 ? C7 PG5 J 167 mGLU^D 156 159.63 39.48 86.61 159.19 39.03 87.38 160.99 40.83 88.06 160.47 40.38 89.09 160.23 40.82 86.70 159.17 41.93 86.67 2 0 15.08-999 ?-999 ?-999 ? C7 PG5 J 167 mILE^D 157 162.20 41.33 88.04 162.49 41.65 87.13 163.66 42.81 89.40 164.21 43.36 88.46 163.03 41.41 89.24 164.16 40.32 89.23 3 0 18.73-999 ?-999 ?-999 ? C7 PG5 J 167 mASP^D 158 163.56 43.39 90.59 162.97 42.91 91.23 165.38 44.32 91.93 165.46 43.21 92.46 164.30 44.63 90.88 163.38 45.77 91.25 2 0 22.02-999 ?-999 ?-999 ? C7 PG5 J 167 mALA^D 159 166.22 45.30 92.21 166.00 46.19 91.82 167.82 46.28 93.78 167.60 47.41 93.31 167.36 45.04 93.06 168.50 44.50 92.21 2 0 25.48-999 ?-999 ?-999 ? C7 PG5 J 167 mILE^D 160 168.44 46.05 94.93 168.39 45.10 95.23 170.55 46.54 95.85 170.72 45.40 96.30 169.14 47.10 95.67 168.51 47.42 97.02 3 0 29.19-999 ?-999 ?-999 ? C7 PG5 J 167 mVAL^D 161 171.55 47.32 95.47 171.26 48.23 95.18 173.82 47.89 96.24 173.73 49.09 95.96 172.93 46.85 95.51 173.46 46.65 94.10 3 0 31.47-999 ?-999 ?-999 ? C7 PG5 J 167 mGLU^D 162 174.63 47.43 97.18 174.52 46.46 97.38 176.84 48.38 96.97 177.39 47.33 96.60 175.60 48.31 97.83 175.97 47.77 99.20 2 0 35.30-999 ?-999 ?-999 ? C7 PG5 J 167 mILE^D 163 177.29 49.59 96.67 176.82 50.32 97.16 179.51 50.66 96.37 179.30 51.23 97.45 178.39 49.81 95.71 177.88 50.49 94.40 3 0 36.76-999 ?-999 ?-999 ? C7 PG5 J 167 mASN^E 4 43.67 56.27 22.85 43.08 55.50 23.09 44.43 58.59 23.50 45.42 59.26 23.83 44.54 57.44 22.49 44.22 57.98 21.07 2 0 44.28-999 ?-999 ?-999 ? C1 PG5 E 166 mLEU^E 5 43.21 58.85 23.98 42.47 58.28 23.61 43.64 59.49 26.30 44.27 60.28 26.99 43.03 59.91 24.97 41.55 60.23 25.16 3 0 44.00-999 ?-999 ?-999 ? C1 PG5 E 166 mTYR^E 6 43.47 58.23 26.65 42.94 57.68 26.01 45.56 57.93 27.82 46.17 58.42 28.76 44.04 57.73 27.88 43.67 56.26 28.06 3 0 43.17-999 ?-999 ?-999 ? C1 PG5 E 166 mPHE^E 7 46.16 57.58 26.69 45.54 57.27 25.97 48.09 59.11 26.50 49.13 59.43 27.09 47.61 57.67 26.55 48.11 56.85 25.36 3 0 40.34-999 ?-999 ?-999 ? C1 PG5 E 166 mGLN^E 8 47.33 59.98 25.84 46.58 59.56 25.33 47.55 61.92 27.36 48.38 62.73 27.77 47.60 61.42 25.90 46.62 62.21 25.00 2 0 39.12-999 ?-999 ?-999 ? C1 PG5 E 166 mGLY^E 9 46.59 61.43 28.15 45.96 60.79 27.70 47.69 61.37 30.37 48.24 62.15 31.15 46.49 61.82 29.55-999.99-999.99-999.99 1 0 39.15-999 ?-999 ?-999 ? C1 PG5 E 166 mMETE 10 48.08 60.12 30.18 47.50 59.60 29.55 50.50 60.42 30.51 51.26 60.74 31.40 49.27 59.57 30.85 49.52 58.12 30.42 2 0 37.19-999 ?-999 ?-999 ? C1 PG5 E 166 mSER^E 11 50.65 60.81 29.26 49.95 60.48 28.63 51.76 63.01 29.59 52.78 63.49 30.11 51.80 61.68 28.88 51.82 61.96 27.38 2 0 34.48-999 ?-999 ?-999 ? C1 PG5 E 166 mASP^E 12 50.57 63.63 29.59 49.84 63.16 29.08 50.78 64.74 31.75 51.42 65.63 32.30 50.36 64.89 30.28 48.88 65.33 30.23 2 0 34.47-999 ?-999 ?-999 ? C1 PG5 E 166 mVAL^E 13 50.39 63.64 32.39 49.87 62.99 31.84 52.24 63.32 33.99 52.79 63.93 34.90 50.72 63.43 33.79 50.03 62.20 34.35 3 0 34.08-999 ?-999 ?-999 ? C1 PG5 E 166 mILE^E 14 52.89 62.55 33.12 52.29 62.10 32.45 55.05 63.80 33.08 55.85 64.19 33.93 54.38 62.42 33.22 54.93 61.45 32.16 3 0 31.09-999 ?-999 ?-999 ? C1 PG5 E 166 mGLU^E 15 54.73 64.53 32.02 54.09 64.08 31.40 54.96 66.87 32.94 55.77 67.71 33.30 55.30 65.88 31.83 54.86 66.47 30.49 2 0 29.26-999 ?-999 ?-999 ? C1 PG5 E 166 mGLY^E 16 53.73 66.81 33.45 53.11 66.17 33.00 54.17 67.36 35.82 54.58 68.28 36.53 53.35 67.64 34.58-999.99-999.99-999.99 1 0 30.33-999 ?-999 ?-999 ? C1 PG5 E 166 mARG^E 17 54.41 66.08 36.10 53.99 65.43 35.47 56.66 66.28 37.13 57.21 66.80 38.09 55.23 65.71 37.26 55.29 64.20 37.44 2 0 28.95-999 ?-999 ?-999 ? C1 PG5 E 166 mLEU^E 18 57.20 66.22 35.94 56.65 65.73 35.26 58.51 68.37 35.88 59.45 68.93 36.45 58.52 66.83 35.66 58.92 66.48 34.24 3 0 25.50-999 ?-999 ?-999 ? C1 PG5 E 166 mLYS^E 19 57.44 69.05 35.45 56.79 68.50 34.93 57.22 70.74 37.24 57.81 71.69 37.72 57.27 70.49 35.75 56.02 71.05 35.09 2 0 25.89-999 ?-999 ?-999 ? C1 PG5 E 166 mGLU^E 20 56.56 69.86 37.99 56.08 69.15 37.47 57.92 69.80 40.09 58.16 70.34 41.18 56.54 69.94 39.45 55.59 68.91 40.03 2 0 26.80-999 ?-999 ?-999 ? C1 PG5 E 166 mLEU^E 21 58.83 69.08 39.41 58.45 68.61 38.62 61.05 70.21 39.35 62.22 70.37 39.73 60.24 69.01 39.83 60.88 67.73 39.30 3 0 23.42-999 ?-999 ?-999 ? C1 PG5 E 166 mGLY^E 22 60.45 71.05 38.52 59.55 70.75 38.21 61.72 72.25 36.74 62.46 73.18 36.37 61.07 72.30 38.10-999.99-999.99-999.99 1 0 21.90-999 ?-999 ?-999 ? C1 PG5 E 166 mPHE^E 23 61.44 71.19 35.98 60.82 70.53 36.40 60.94 71.04 33.56 59.88 70.40 33.68 62.00 71.04 34.65 62.81 69.74 34.57 3 0 21.22-999 ?-999 ?-999 ? C1 PG5 E 166 mTHR^E 24 61.24 71.75 32.48 61.99 72.40 32.62 61.41 70.79 30.26 62.65 70.82 30.35 60.53 71.59 31.21 60.21 72.95 30.56 2 0 23.17-999 ?-999 ?-999 ? C1 PG5 E 166 mLEU^E 25 60.77 70.07 29.35 59.77 70.08 29.43 61.98 70.32 27.26 61.21 71.17 26.78 61.50 69.34 28.33 60.63 68.25 27.69 3 0 23.52-999 ?-999 ?-999 ? C1 PG5 E 166 mPRO^E 26 63.26 70.22 26.87 63.81 69.56 27.38 63.27 70.53 24.43 62.91 69.34 24.32 63.78 71.03 25.77 65.30 70.85 25.89 3 0 22.29-999 ?-999 ?-999 ? C1 PG5 E 166 mALA^E 33 73.61 64.38 11.98 72.67 64.70 11.95 75.01 62.42 11.66 73.94 61.81 11.43 75.00 63.90 12.02 75.60 64.15 13.45 2 0 23.43-999 ?-999 ?-999 ? O4 PG5 E 166 mASN^E 34 76.19 61.82 11.59 76.97 62.44 11.72 75.99 59.48 12.55 75.86 58.25 12.43 76.29 60.38 11.33 77.66 60.06 10.73 2 0 24.71-999 ?-999 ?-999 ? O4 PG5 E 166 mTYR^E 35 75.87 60.10 13.72 76.24 61.02 13.75 73.96 60.21 15.14 73.83 61.41 14.84 75.24 59.44 14.84 76.14 59.34 16.07 3 0 23.41-999 ?-999 ?-999 ? O4 PG5 E 166 mVAL^E 36 73.04 59.47 15.72 73.35 58.56 15.98 71.45 59.94 17.46 72.10 59.20 18.21 71.70 59.94 15.96 70.69 59.04 15.22 3 0 24.74-999 ?-999 ?-999 ? O4 PG5 E 166 mPRO^E 37 70.46 60.74 17.92 70.01 61.31 17.24 69.48 59.47 19.91 69.51 59.27 21.13 70.14 60.71 19.35 69.21 61.89 19.53 3 0 23.88-999 ?-999 ?-999 ? O4 PG5 E 166 mPHE^E 38 68.90 58.64 19.05 68.91 58.96 18.10 68.14 56.46 18.27 68.10 56.92 17.12 68.31 57.38 19.47 66.96 57.61 20.19 3 0 26.97-999 ?-999 ?-999 ? O4 PG5 E 166 mTHR^E 39 68.11 55.17 18.55 68.38 54.96 19.49 66.72 53.21 18.23 66.67 53.08 19.45 67.72 54.16 17.57 68.92 53.32 17.05 2 0 29.97-999 ?-999 ?-999 ? O4 PG5 E 166 mILE^E 40 65.91 52.54 17.42 65.98 52.80 16.46 65.25 50.20 17.25 65.39 50.14 16.04 65.00 51.52 17.93 63.53 51.88 17.64 3 0 33.37-999 ?-999 ?-999 ? O4 PG5 E 166 mSER^E 41 65.28 49.15 18.04 65.26 49.38 19.01 64.30 46.96 18.27 64.35 46.78 19.48 65.35 47.79 17.54 66.77 47.20 17.70 2 0 35.69-999 ?-999 ?-999 ? O4 PG5 E 166 mGLY^E 42 63.31 46.46 17.53 63.38 46.61 16.54 61.48 46.69 19.07 61.11 47.78 18.64 62.24 45.74 18.17-999.99-999.99-999.99 1 0 38.97-999 ?-999 ?-999 ? O4 PG5 E 166 mASN^E 43 61.32 46.32 20.33 61.64 45.40 20.55 61.73 47.85 22.25 61.38 48.18 23.37 60.71 47.23 21.28 59.62 46.54 22.08 2 0 38.29-999 ?-999 ?-999 ? O4 PG5 E 166 mLEU^E 44 62.98 47.97 21.81 63.13 47.58 20.90 64.47 49.88 21.93 64.82 49.89 20.76 64.02 48.61 22.63 65.22 47.68 22.88 3 0 34.73-999 ?-999 ?-999 ? O4 PG5 E 166 mLEU^E 45 64.50 50.93 22.73 64.22 50.71 23.66 66.23 52.52 23.00 66.33 52.43 24.23 64.89 52.26 22.32 63.87 53.27 22.82 3 0 31.76-999 ?-999 ?-999 ? O4 PG5 E 166 mTYR^E 46 67.23 52.78 22.17 66.95 52.76 21.21 68.80 54.57 22.47 68.79 55.09 21.37 68.60 53.07 22.59 69.60 52.33 21.71 3 0 28.49-999 ?-999 ?-999 ? O4 PG5 E 166 mVAL^E 47 69.01 55.25 23.60 69.08 54.69 24.42 70.63 57.02 23.78 71.26 56.50 24.69 69.14 56.71 23.61 68.32 57.35 24.77 3 0 25.52-999 ?-999 ?-999 ? O4 PG5 E 166 mSER^E 48 71.15 57.88 22.92 70.48 58.20 22.25 72.92 59.00 24.27 72.04 59.54 24.94 72.58 58.30 22.96 72.86 59.25 21.82 2 0 22.14-999 ?-999 ?-999 ? O4 PG5 E 166 mGLY^E 49 74.19 58.98 24.66 74.81 58.45 24.07 74.18 61.14 25.81 74.44 61.85 24.82 74.61 59.70 25.86-999.99-999.99-999.99 1 0 19.09-999 ?-999 ?-999 ? O4 PG5 E 166 mGLN^E 50 73.51 61.58 26.87 73.38 60.89 27.58 73.83 63.69 27.99 74.24 63.12 29.01 73.00 62.94 26.99 71.53 62.97 27.44 2 0 18.05-999 ?-999 ?-999 ? C1 PG5 E 166 mLEU^E 51 74.03 64.96 27.72 73.58 65.23 26.86 73.83 66.79 29.35 72.61 66.80 29.07 74.80 65.90 28.55 75.71 66.74 27.65 3 0 14.35-999 ?-999 ?-999 ? C1 PG5 E 166 mPRO^E 52 74.33 67.51 30.37 75.32 67.43 30.52 73.09 69.66 30.50 73.53 70.71 30.94 73.44 68.34 31.18 74.22 68.53 32.50 3 0 12.54-999 ?-999 ?-999 ? C1 PG5 E 166 mMETE 53 72.31 69.56 29.42 71.99 68.63 29.25 70.80 71.42 29.21 69.80 70.79 29.57 71.96 70.71 28.58 71.49 70.28 27.20 2 0 14.14-999 ?-999 ?-999 ? C1 PG5 E 166 mGLU^E 54 70.93 72.74 29.35 71.84 73.09 29.12 69.92 74.89 29.05 71.00 75.51 28.99 69.83 73.58 29.82 69.89 73.81 31.32 2 0 14.79-999 ?-999 ?-999 ? C1 PG5 E 166 mSER^E 55 68.79 75.28 28.44 68.01 74.68 28.59 69.75 76.48 26.51 70.32 77.51 26.15 68.73 76.50 27.63 68.93 77.74 28.51 2 0 16.96-999 ?-999 ?-999 ? C1 PG5 E 166 mGLY^E 56 70.00 75.30 25.98 69.48 74.55 26.38 72.42 75.19 25.28 73.27 75.17 24.39 70.95 75.13 24.90-999.99-999.99-999.99 1 0 16.84-999 ?-999 ?-999 ? C1 PG5 E 166 mLYS^E 57 72.75 75.25 26.57 71.96 75.28 27.19 74.42 74.13 28.00 73.51 73.63 28.65 74.15 75.27 27.01 74.54 76.60 27.70 2 0 13.12-999 ?-999 ?-999 ? C1 PG5 E 166 mILE^E 58 75.69 73.75 28.14 76.32 74.18 27.50 76.10 73.46 30.50 76.96 74.30 30.77 76.09 72.76 29.16 77.49 72.14 28.89 3 0 10.35-999 ?-999 ?-999 ? C1 PG5 E 166 mALA^E 59 75.18 73.08 31.37 74.71 72.24 31.11 75.86 73.50 33.73 76.01 74.32 34.63 74.89 73.80 32.58 73.43 73.50 33.01 2 0 9.02-999 ?-999 ?-999 ? C1 PG5 E 166 mVAL^E 60 76.47 72.32 33.73 76.27 71.75 32.93 78.62 71.28 34.20 78.55 70.24 33.56 77.37 71.91 34.82 76.72 70.91 35.80 3 0 6.34-999 ?-999 ?-999 ? C1 PG5 E 166 mTHR^E 61 79.76 71.91 34.44 79.66 72.70 35.05 82.15 71.26 34.90 82.15 71.81 36.01 81.04 71.47 33.87 81.57 72.46 32.82 2 0 -4.55-999 ?-999 ?-999 ? C1 PG5 E 166s mGLY^E 62 83.11 70.43 34.52 82.97 70.05 33.60 84.10 68.83 36.17 83.10 68.11 36.07 84.26 70.12 35.37-999.99-999.99-999.99 1 0 4.14-999 ?-999 ?-999 ? C3 PG5 E 166 mLEU^E 63 85.14 68.54 36.93 85.83 69.26 36.97 84.59 67.30 38.98 84.74 68.21 39.78 85.28 67.30 37.65 86.76 66.96 37.84 3 0 6.85-999 ?-999 ?-999 ? C4 PG5 E 166 mVAL^E 64 83.85 66.24 39.25 83.77 65.58 38.50 84.33 65.77 41.55 85.16 64.89 41.33 83.23 66.08 40.56 82.06 65.06 40.58 3 0 9.16-999 ?-999 ?-999 ? C1 PG5 E 166 mGLY^E 65 84.32 66.54 42.63 83.53 67.15 42.64 86.48 67.49 43.49 87.42 67.53 44.29 85.35 66.51 43.68-999.99-999.99-999.99 1 0 8.20-999 ?-999 ?-999 ? C6 PG5 K 166 mARG^E 66 86.39 68.29 42.42 85.62 68.09 41.82 86.64 70.66 41.83 86.74 71.62 42.58 87.36 69.36 42.18 88.36 68.97 41.10 2 0 -4.71-999 ?-999 ?-999 ? C5 PG5 K 166s mASP^E 67 85.89 70.67 40.72 85.89 69.78 40.26 83.69 71.90 40.69 83.11 72.98 40.75 85.16 71.83 40.23 85.16 71.80 38.72 2 0 4.55-999 ?-999 ?-999 ? O1 PG5 E 166s mVAL^E 68 83.10 70.74 40.94 83.73 69.96 40.88 81.52 69.70 42.46 82.26 68.73 42.61 81.68 70.61 41.26 80.86 70.04 40.05 3 0 5.97-999 ?-999 ?-999 ? C1 PG5 E 166 mASP^E 69 80.55 70.02 43.31 80.08 70.88 43.12 79.13 68.16 44.10 78.59 68.22 42.99 80.24 69.15 44.44 79.89 69.97 45.69 2 0 9.63-999 ?-999 ?-999 ? C1 PG5 E 166 mVAL^E 70 78.77 67.30 45.05 79.24 67.43 45.92 76.43 66.88 44.42 75.79 66.47 43.44 77.77 66.24 44.79 77.62 65.21 45.96 3 0 12.50-999 ?-999 ?-999 ? C1 PG5 E 166 mALA^E 71 76.02 67.89 45.18 76.64 68.15 45.91 74.64 69.09 43.49 73.63 68.92 42.80 74.72 68.52 44.90 74.42 69.59 45.95 2 0 12.89-999 ?-999 ?-999 ? C1 PG5 E 166 mSER^E 72 75.71 69.74 43.04 76.48 69.80 43.68 75.75 69.22 40.67 75.12 69.35 39.63 75.72 70.32 41.72 76.92 71.22 41.49 2 0 9.56-999 ?-999 ?-999 ? C1 PG5 E 166 mALA^E 73 76.51 68.15 40.94 77.00 68.21 41.81 75.21 66.29 39.92 74.83 65.80 38.86 76.58 67.01 40.03 77.66 66.04 40.49 2 0 10.22-999 ?-999 ?-999 ? C1 PG5 E 166 mGLN^E 74 74.47 66.26 41.03 74.91 66.68 41.83 72.18 66.41 40.11 71.43 65.80 39.35 73.12 65.64 41.05 72.58 65.59 42.47 2 0 13.76-999 ?-999 ?-999 ? C1 PG5 E 166 mARG^E 75 72.30 67.73 40.11 72.91 68.07 40.82 72.01 68.32 37.76 71.18 68.24 36.85 71.58 68.59 39.17 71.86 70.03 39.48 2 0 12.89-999 ?-999 ?-999 ? C1 PG5 E 166 mALA^E 76 73.31 68.20 37.53 73.90 68.40 38.31 73.05 66.49 35.75 72.55 66.37 34.61 73.75 67.80 36.18 75.31 67.61 36.14 2 0 11.26-999 ?-999 ?-999 ? C1 PG5 E 166 mALA^E 77 72.98 65.54 36.68 73.34 65.81 37.57 70.90 64.37 36.09 70.37 63.76 35.17 72.40 64.22 36.38 72.63 63.28 37.50 2 0 14.61-999 ?-999 ?-999 ? C1 PG5 E 166 mGLU^E 78 70.24 65.21 36.86 70.78 65.61 37.60 68.66 66.03 35.15 67.76 65.60 34.40 68.81 65.50 36.59 68.25 66.53 37.59 2 0 16.63-999 ?-999 ?-999 ? C1 PG5 E 166 mLEU^E 79 69.52 66.98 34.75 70.19 67.26 35.43 69.72 66.50 32.31 69.06 66.51 31.26 69.44 67.54 33.40 70.31 68.79 33.24 3 0 15.45-999 ?-999 ?-999 ? C1 PG5 E 166 mCYH^E 80 70.72 65.64 32.52 71.29 65.84 33.32 69.66 63.68 31.45 69.28 63.33 30.34 70.94 64.50 31.60 72.07 63.58 32.09 2 0 16.35-999 ?-999 ?-999 ? C1 PG5 E 166 mALA^E 81 69.00 63.42 32.58 69.43 63.81 33.39 66.63 63.36 31.89 65.85 62.73 31.17 67.76 62.62 32.61 67.39 62.28 34.04 2 0 19.61-999 ?-999 ?-999 ? C1 PG5 E 166 mVAL^E 82 66.53 64.68 32.06 67.18 65.05 32.72 65.77 65.40 29.82 64.83 65.24 29.05 65.54 65.49 31.31 65.55 66.94 31.78 3 0 20.24-999 ?-999 ?-999 ? C1 PG5 E 166 mASN^E 83 67.05 65.46 29.41 67.73 65.57 30.13 67.11 63.95 27.45 66.61 63.81 26.33 67.38 65.36 28.00 68.82 65.82 27.78 2 0 19.97-999 ?-999 ?-999 ? C1 PG5 E 166 mILE^E 84 67.35 62.92 28.25 67.82 63.16 29.10 65.42 61.52 27.60 64.97 61.01 26.58 66.95 61.54 27.88 67.33 60.50 28.96 3 0 22.33-999 ?-999 ?-999 ? C1 PG5 E 166 mLEU^E 85 64.65 62.08 28.52 65.15 62.48 29.29 62.71 62.81 27.11 61.76 62.38 26.41 63.17 62.07 28.36 62.48 62.61 29.61 3 0 24.72-999 ?-999 ?-999 ? C1 PG5 E 166 mALA^E 86 63.36 63.93 26.82 64.02 64.21 27.51 63.33 63.81 24.35 62.51 63.81 23.43 63.10 64.67 25.59 63.93 65.93 25.55 2 0 24.71-999 ?-999 ?-999 ? C1 PG5 E 166 mGLN^E 87 64.42 63.03 24.33 65.03 63.11 25.12 63.66 61.03 23.09 63.22 60.69 21.98 64.66 62.15 23.18 66.06 61.52 23.22 2 0 25.83-999 ?-999 ?-999 ? C1 PG5 E 166 mVAL^E 88 63.31 60.45 24.24 63.78 60.81 25.04 60.95 59.90 23.80 60.26 59.21 23.03 62.32 59.38 24.28 62.19 58.74 25.69 3 0 28.37-999 ?-999 ?-999 ? C1 PG5 E 166 mLYS^E 89 60.58 61.10 24.24 61.21 61.51 24.89 59.35 61.82 22.24 58.38 61.42 21.57 59.32 61.73 23.77 59.14 63.11 24.41 2 0 29.74-999 ?-999 ?-999 ? C1 PG5 E 166 mALA^E 90 60.47 62.29 21.69 61.17 62.53 22.36 60.55 61.11 19.50 59.86 60.98 18.49 60.64 62.45 20.23 61.96 63.14 19.91 2 0 30.19-999 ?-999 ?-999 ? C1 PG5 E 166 mALA^E 91 61.26 60.12 20.04 61.82 60.40 20.82 59.79 58.18 19.50 59.46 57.40 18.58 61.22 58.76 19.53 62.13 57.88 20.36 2 0 31.81-999 ?-999 ?-999 ? C1 PG5 E 166 mLEU^E 92 58.97 58.54 20.49 59.36 59.24 21.09 56.52 58.88 20.16 55.35 58.74 20.54 57.62 57.97 20.68 57.38 57.65 22.16 3 0 34.17-999 ?-999 ?-999 ? C1 PG5 E 166 mASN^E 93 56.90 59.79 19.26 57.88 59.73 19.06 55.13 61.61 19.60 53.95 61.94 19.33 55.99 60.77 18.64 55.18 60.09 17.53 2 0 35.18-999 ?-999 ?-999 ? C1 PG5 E 166 mGLY^E 94 55.76 62.00 20.69 56.67 61.62 20.82 54.55 62.21 22.81 54.00 62.87 23.69 55.16 62.92 21.63-999.99-999.99-999.99 1 0 33.60-999 ?-999 ?-999 ? C1 PG5 E 166 mASP^E 95 54.69 60.89 22.87 55.34 60.51 22.21 54.79 59.30 24.87 55.05 58.11 24.69 53.95 60.09 23.84 53.04 59.12 23.06 2 0 34.76-999 ?-999 ?-999 ? C1 PG5 E 166 mLEU^E 96 55.15 59.95 25.97 54.83 60.90 26.00 55.22 58.15 27.73 55.83 57.36 28.45 55.95 59.30 27.02 56.44 60.34 28.04 3 0 32.37-999 ?-999 ?-999 ? C1 PG5 E 166 mSER^E 97 53.91 58.07 27.54 53.51 58.82 27.02 53.36 55.63 27.32 52.96 54.55 27.80 53.13 56.95 28.09 51.65 57.32 28.09 2 0 35.55-999 ?-999 ?-999 ? C1 PG5 E 166 mLYS^E 98 54.01 55.72 26.16 54.13 56.65 25.82 55.77 53.89 26.04 56.21 52.84 25.56 54.49 54.53 25.45 54.67 54.83 23.97 2 0 36.45-999 ?-999 ?-999 ? C1 PG5 E 166 mILE^E 99 56.36 54.51 27.06 56.03 55.44 27.22 56.82 52.71 28.67 55.97 52.94 29.55 57.41 53.86 27.87 58.10 54.84 28.88 3 0 33.91-999 ?-999 ?-999 ? C1 PG5 E 166 mARG^E 100 57.29 51.48 28.41 57.91 51.43 27.63 57.80 50.18 30.45 57.33 49.92 31.55 56.90 50.33 29.23 56.95 49.05 28.43 2 0 36.21-999 ?-999 ?-999 ? C1 PG5 E 166 mARG^E 101 59.10 50.35 30.24 59.33 50.59 29.30 61.40 50.84 30.90 61.83 50.68 29.77 60.09 50.17 31.32 60.31 48.67 31.57 2 0 33.72-999 ?-999 ?-999 ? C1 PG5 E 166 mVAL^E 102 61.98 51.59 31.81 61.40 51.82 32.59 64.24 50.84 32.03 64.27 50.44 33.18 63.37 52.04 31.64 63.66 53.31 32.47 3 0 30.12-999 ?-999 ?-999 ? C1 PG5 E 166 mILE^E 103 64.92 50.23 31.05 64.86 50.69 30.17 67.00 49.25 31.98 67.36 48.56 32.97 65.66 48.98 31.29 65.89 48.24 29.98 3 0 30.11-999 ?-999 ?-999 ? O4 PG5 L 166 mLYS^E 104 67.70 50.26 31.47 67.23 50.79 30.77 69.45 52.01 31.74 69.17 52.60 30.70 69.04 50.54 31.93 70.01 49.59 31.20 2 0 26.79-999 ?-999 ?-999 ? O4 PG5 L 166 mLEU^E 105 70.14 52.57 32.74 70.13 52.03 33.58 72.31 53.58 32.87 72.65 52.93 33.85 70.84 53.86 32.62 70.38 54.89 33.67 3 0 24.19-999 ?-999 ?-999 ? C1 PG5 E 166 mASN^E 106 73.16 54.11 32.00 72.73 54.46 31.16 74.97 55.56 32.59 74.88 56.45 31.75 74.60 54.14 32.26 75.44 53.60 31.11 2 0 22.02-999 ?-999 ?-999 ? O4 PG5 L 166 mGLY^E 107 75.43 55.74 33.83 75.53 54.90 34.35 77.24 57.28 34.45 77.93 56.64 35.24 75.74 57.05 34.38-999.99-999.99-999.99 1 0 18.94-999 ?-999 ?-999 ? C1 PG5 E 166 mPHE^E 108 77.72 58.22 33.63 77.03 58.70 33.09 79.41 59.86 34.22 78.84 60.90 33.83 79.14 58.53 33.53 79.52 58.60 32.06 3 0 16.62-999 ?-999 ?-999 ? C4 PG5 E 166 mVAL^E 109 80.25 59.82 35.26 80.68 58.93 35.41 81.99 61.43 36.03 82.84 60.74 36.49 80.50 60.98 36.10 80.19 60.68 37.58 3 0 13.68-999 ?-999 ?-999 ? C1 PG5 E 166 mALA^E 110 82.25 62.60 35.47 81.43 63.07 35.14 84.14 63.31 36.80 83.52 64.04 37.56 83.63 63.11 35.38 83.67 64.43 34.59 2 0 10.57-999 ?-999 ?-999 ? C4 PG5 E 166 mSER^E 111 85.20 62.60 37.17 85.70 62.19 36.41 87.06 62.67 38.79 87.86 62.11 38.03 85.58 62.45 38.59 85.25 61.01 39.10 2 0 11.45-999 ?-999 ?-999 ? C4 PG5 E 166 mVAL^E 112 87.46 63.33 39.88 86.78 63.93 40.30 88.93 61.73 41.02 87.91 61.19 41.47 88.84 63.12 40.37 89.33 64.25 41.32 3 0 9.64-999 ?-999 ?-999 ? C7 PG5 L 166 mPRO^E 113 90.15 61.12 41.04 90.91 61.67 40.70 89.91 59.56 43.02 89.61 58.45 43.44 90.28 59.73 41.56 91.76 59.44 41.37 3 0 7.16-999 ?-999 ?-999 ? C7 PG5 L 166 mGLU^E 114 89.89 60.65 43.79 90.16 61.49 43.31 87.96 60.60 45.37 87.44 60.28 46.46 89.49 60.58 45.22 90.12 61.69 46.08 2 0 4.20-999 ?-999 ?-999 ? C7 PG5 L 166 mPHE^E 115 87.26 60.87 44.29 87.79 60.94 43.45 85.21 59.67 44.13 85.51 59.03 43.08 85.82 61.06 44.37 85.29 62.07 43.37 3 0 6.32-999 ?-999 ?-999 ? O4 PG5 L 166 mVAL^E 116 84.39 59.23 45.08 84.18 59.90 45.79 82.35 57.79 45.39 81.85 56.76 45.88 83.87 57.86 45.07 84.68 56.96 46.01 3 0 6.00-999 ?-999 ?-999 ? O4 PG5 L 166 mGLU^E 117 81.65 58.85 45.05 82.20 59.58 44.64 79.44 59.10 43.95 78.42 59.80 43.90 80.21 58.94 45.27 79.90 60.08 46.27 2 0 9.03-999 ?-999 ?-999 ? O4 PG5 L 166 mGLN^E 118 79.91 58.43 42.90 80.75 57.91 43.07 77.80 57.96 41.73 76.91 58.45 41.01 79.24 58.45 41.61 79.98 57.64 40.56 2 0 11.79-999 ?-999 ?-999 ? O4 PG5 L 166 mHIS^E 119 77.57 57.01 42.63 78.39 56.72 43.11 75.26 57.58 43.36 74.14 57.68 42.88 76.19 56.47 42.87 76.19 55.28 43.81 3 0 13.67-999 ?-999 ?-999 ? O4 PG5 L 166 mLEU^E 120 75.74 58.45 44.25 76.68 58.27 44.56 74.66 60.57 43.61 73.55 61.13 43.50 74.95 59.56 44.72 75.64 60.25 45.89 3 0 14.16-999 ?-999 ?-999 ? O4 PG5 L 166 mVAL^E 121 75.66 60.80 42.74 76.52 60.32 42.92 74.33 61.18 40.69 73.42 61.93 40.36 75.45 61.69 41.63 76.78 61.92 40.85 3 0 15.38-999 ?-999 ?-999 ? O4 PG5 L 166 mILE^E 122 74.42 59.91 40.30 75.18 59.40 40.71 72.08 59.19 40.01 71.08 59.18 39.30 73.47 59.32 39.36 73.97 57.98 38.76 3 0 17.82-999 ?-999 ?-999 ? O4 PG5 L 166 mASN^E 123 72.02 59.10 41.35 72.91 59.00 41.79 69.91 60.37 41.64 68.68 60.27 41.60 70.75 59.16 42.07 70.94 59.13 43.60 2 0 18.95-999 ?-999 ?-999 ? O4 PG5 L 166 mGLY^E 124 70.54 61.50 41.29 71.52 61.50 41.49 68.92 62.23 39.51 67.71 62.54 39.49 69.83 62.62 40.67-999.99-999.99-999.99 1 0 17.98-999 ?-999 ?-999 ? C1 PG5 E 166 mALA^E 125 69.49 61.52 38.54 70.47 61.35 38.69 67.76 59.95 37.79 66.60 59.98 37.38 68.75 61.04 37.37 69.74 60.51 36.28 2 0 19.44-999 ?-999 ?-999 ? C1 PG5 E 166 mSER^E 126 68.19 59.00 38.61 69.12 59.16 38.96 66.12 58.24 39.72 65.02 57.73 39.47 67.36 57.83 38.94 68.14 56.77 39.71 2 0 22.80-999 ?-999 ?-999 ? C1 PG5 E 166 mASN^E 127 66.30 59.18 40.64 67.24 59.49 40.74 64.17 60.47 40.54 62.96 60.30 40.66 65.18 59.70 41.42 65.68 60.56 42.56 2 0 23.46-999 ?-999 ?-999 ? C1 PG5 E 166 mLEU^E 128 64.68 61.33 39.67 65.67 61.41 39.71 63.00 61.14 37.83 61.78 61.28 37.70 63.83 62.09 38.73 64.68 63.07 37.89 3 0 22.74-999 ?-999 ?-999 ? C1 PG5 E 166 mILE^E 129 63.67 60.15 37.26 64.63 60.09 37.56 61.97 58.42 36.96 60.86 58.33 36.42 63.05 59.25 36.29 64.10 58.34 35.58 3 0 24.95-999 ?-999 ?-999 ? C1 PG5 E 166 mALA^E 130 62.30 57.86 38.13 63.24 58.04 38.42 60.20 57.93 39.39 59.03 57.48 39.37 61.36 57.06 38.91 62.05 56.44 40.07 2 0 27.69-999 ?-999 ?-999 ? C1 PG5 E 166 mTHR^E 131 60.49 59.18 39.78 61.46 59.41 39.74 58.40 60.37 39.13 57.18 60.32 39.37 59.42 60.08 40.23 59.98 61.40 40.78 2 0 27.67-999 ?-999 ?-999 ? C1 PG5 E 166 mVAL^E 132 58.87 60.65 37.92 59.86 60.51 37.80 57.28 59.93 36.16 56.14 60.08 35.70 57.97 61.11 36.86 58.65 62.09 35.86 3 0 28.20-999 ?-999 ?-999 ? C1 PG5 E 166 mLEU^E 133 57.93 58.77 36.11 58.81 58.75 36.59 56.69 56.64 36.36 55.93 55.78 35.92 57.35 57.63 35.40 58.42 56.91 34.56 3 0 30.56-999 ?-999 ?-999 ? C1 PG5 E 166 mGLY^E 134 56.98 56.74 37.65 57.51 57.56 37.89 57.27 54.44 38.44 58.44 54.42 38.03 56.55 55.76 38.61-999.99-999.99-999.99 1 0 32.29-999 ?-999 ?-999 ? C1 PG5 E 166 mGLU^E 135 56.57 53.34 38.74 55.61 53.50 38.95 57.93 51.65 37.45 59.04 51.11 37.50 57.19 52.01 38.75 56.16 50.91 39.09 2 0 33.27-999 ?-999 ?-999 ? O4 PG5 L 166 mPRO^E 136 57.32 51.91 36.29 56.37 52.22 36.38 59.41 52.45 34.85 60.20 52.08 34.01 58.04 51.73 35.00 57.07 52.29 33.96 3 0 33.67-999 ?-999 ?-999 ? C1 PG5 E 166 mGLY^E 137 59.61 53.50 35.63 58.83 53.74 36.21 62.01 53.59 36.40 63.16 54.00 36.22 60.87 54.24 35.63-999.99-999.99-999.99 1 0 29.86-999 ?-999 ?-999 ? C1 PG5 E 166 mARG^E 138 61.73 52.60 37.25 60.75 52.38 37.34 63.60 51.04 37.04 63.07 50.27 36.23 62.79 51.92 37.99 62.26 51.13 39.18 2 0 28.41-999 ?-999 ?-999 ? O4 PG5 L 166 mHIS^E 139 64.91 51.17 37.15 65.21 51.60 38.00 67.05 50.06 36.67 67.43 50.32 37.82 65.82 50.72 36.10 66.27 51.94 35.27 3 0 26.89-999 ?-999 ?-999 ? O4 PG5 L 166 mALA^E 140 67.66 49.19 35.88 67.11 48.88 35.11 70.00 49.93 35.86 69.66 50.87 35.13 69.04 48.76 36.16 69.43 47.55 35.35 2 0 24.88-999 ?-999 ?-999 ? O4 PG5 L 166 mARG^E 141 71.21 49.84 36.39 71.44 48.97 36.81 73.57 50.61 36.43 73.88 49.59 37.04 72.11 50.99 36.31 71.77 51.92 37.48 2 0 21.71-999 ?-999 ?-999 ? O4 PG5 L 166 mALA^E 142 74.43 51.43 35.85 74.03 52.00 35.14 76.18 52.93 36.54 75.63 53.86 35.95 75.83 51.47 36.22 76.74 50.88 35.09 2 0 19.00-999 ?-999 ?-999 ? O4 PG5 L 166 mALA^E 143 77.08 53.13 37.50 77.39 52.30 37.96 79.05 54.41 37.96 79.59 53.62 38.78 77.54 54.48 37.82 76.90 55.00 39.14 2 0 15.93-999 ?-999 ?-999 ? O4 PG5 L 166 mVAL^E 144 79.75 55.21 37.16 79.19 55.89 36.67 81.90 56.44 36.93 81.32 57.42 36.43 81.21 55.09 37.04 81.54 54.20 35.84 3 0 14.26-999 ?-999 ?-999 ? O4 PG5 L 166 mGLY^E 145 83.17 56.47 37.33 83.50 55.58 37.64 84.86 57.78 36.09 85.68 56.91 35.85 83.98 57.69 37.32-999.99-999.99-999.99 1 0 12.40-999 ?-999 ?-999 ? C7 PG5 L 166 mMETE 146 84.67 58.85 35.33 84.01 59.48 35.73 86.48 60.16 34.27 86.41 61.02 35.14 85.34 59.13 34.07 84.32 59.74 33.11 2 0 13.78-999 ?-999 ?-999 ? C7 PG5 E 166 mALA^E 147 87.49 60.10 33.40 87.43 59.32 32.78 88.04 62.50 33.01 88.50 63.48 33.56 88.57 61.10 33.38 89.68 60.68 32.38 2 0 11.17-999 ?-999 ?-999 ? C7 PG5 E 166 mSER^E 148 87.08 62.55 32.09 86.74 61.65 31.82 85.45 63.36 30.54 85.32 62.18 30.22 86.56 63.79 31.51 87.68 64.54 30.74 2 0 8.55-999 ?-999 ?-999 ? C7 PG5 E 166 mLEU^E 149 84.70 64.34 30.07 84.99 65.24 30.38 83.48 65.18 28.14 84.01 66.30 28.32 83.57 64.10 29.17 82.24 64.08 29.97 3 0 9.58-999 ?-999 ?-999 ? O4 PG5 E 166 mPRO^E 150 82.80 64.89 27.03 82.47 63.94 26.95 82.09 67.30 26.53 81.18 67.36 27.39 82.58 65.94 26.02 81.55 65.29 25.08 3 0 9.27-999 ?-999 ?-999 ? O4 PG5 E 166 mPHE^E 151 82.72 68.38 26.04 83.46 68.13 25.42 82.56 70.07 27.87 82.02 71.03 28.42 82.35 69.78 26.37 80.90 70.09 25.94 3 0 7.29-999 ?-999 ?-999 ? O4 PG5 E 166 mASN^E 152 83.36 69.21 28.51 83.75 68.50 27.92 82.41 69.05 30.80 82.38 69.47 31.96 83.64 69.28 29.94 84.28 70.63 30.31 2 0 -5.84-999 ?-999 ?-999 ? O4 PG5 E 166s mALA^E 153 81.40 68.36 30.27 81.53 68.09 29.32 80.65 67.30 32.31 81.56 66.45 32.26 80.23 68.03 31.05 79.27 67.18 30.23 2 0 8.67-999 ?-999 ?-999 ? C3 PG5 E 166 mSER^E 154 79.97 67.57 33.42 79.31 68.31 33.34 79.64 65.39 34.62 80.14 64.51 35.28 80.24 66.79 34.65 79.81 67.57 35.89 2 0 8.36-999 ?-999 ?-999 ? C1 PG5 E 166 mVAL^E 155 78.57 65.18 33.85 78.28 65.97 33.31 77.37 63.71 32.39 76.98 64.69 31.71 77.88 63.90 33.81 76.63 63.86 34.79 3 0 12.03-999 ?-999 ?-999 ? C1 PG5 E 166 mGLU^E 156 77.36 62.47 31.95 77.85 61.85 32.57 76.00 60.71 31.05 76.52 59.82 31.76 76.72 62.02 30.72 77.74 61.85 29.61 2 0 15.13-999 ?-999 ?-999 ? C1 PG5 E 166 mILE^E 157 74.78 60.58 30.53 74.49 61.32 29.94 73.28 58.91 29.58 72.69 59.72 28.85 73.97 59.41 30.84 72.86 59.71 31.92 3 0 18.44-999 ?-999 ?-999 ? C1 PG5 E 166 mASP^E 158 73.39 57.61 29.33 73.98 57.11 29.96 71.61 56.03 28.76 71.55 55.78 29.98 72.67 56.99 28.19 73.62 56.35 27.18 2 0 21.96-999 ?-999 ?-999 ? C1 PG5 E 166 mALA^E 159 70.78 55.49 27.88 70.98 55.68 26.91 69.18 53.69 27.27 69.36 53.86 26.08 69.66 54.70 28.32 68.49 55.58 28.71 2 0 25.21-999 ?-999 ?-999 ? C1 PG5 E 166 mILE^E 160 68.55 52.65 27.80 68.63 52.60 28.79 66.44 51.62 27.67 66.31 51.42 28.90 67.81 51.69 27.02 68.44 50.30 27.08 3 0 28.97-999 ?-999 ?-999 ? C1 PG5 E 166 mVAL^E 161 65.41 51.77 26.84 65.68 51.81 25.88 63.19 50.88 26.50 63.34 50.76 25.28 64.03 51.89 27.30 63.51 53.32 27.05 3 0 30.87-999 ?-999 ?-999 ? C1 PG5 E 166 mGLU^E 162 62.34 50.14 27.20 62.41 50.24 28.19 60.15 50.08 26.20 59.61 50.76 27.08 61.38 49.25 26.53 61.01 48.09 27.42 2 0 34.65-999 ?-999 ?-999 ? C1 PG5 E 166 mILE^E 163 59.72 50.03 24.94 60.21 49.38 24.36 57.56 49.96 23.87 57.86 48.86 23.40 58.63 50.87 24.48 59.10 51.94 23.50 3 0 35.97-999 ?-999 ?-999 ? C1 PG5 E 166 mASP^E 164 56.30 50.39 23.93 56.19 51.30 24.33 55.05 49.66 21.90 55.52 50.64 21.28 55.20 49.53 23.42 53.89 49.83 24.13 2 0 39.54-999 ?-999 ?-999 ? C1 PG5 E 166 mTHR^F 2 104.29 -12.81 87.32 103.52 -12.38 87.80 106.29 -12.39 85.96 107.49 -12.31 86.22 105.43 -13.46 86.61 104.99 -14.42 85.46 2 0 48.19-999 ?-999 ?-999 ? C8 PG5 F 166 mGLU^F 3 105.65 -11.57 85.12 104.68 -11.79 84.99 106.70 -9.41 85.47 107.75 -8.79 85.36 106.33 -10.48 84.46 105.44 -9.91 83.35 2 0 46.18-999 ?-999 ?-999 ? C8 PG5 F 166 mASN^F 4 105.84 -9.21 86.46 104.96 -9.68 86.36 107.43 -8.89 88.32 108.33 -8.12 88.66 106.18 -8.37 87.60 105.04 -8.35 88.60 2 0 43.94-999 ?-999 ?-999 ? C8 PG5 F 166 mLEU^F 5 107.47 -10.19 88.55 106.65 -10.68 88.24 109.88 -10.72 88.36 110.97 -10.47 88.89 108.61 -10.84 89.21 108.29 -12.32 89.49 3 0 43.59-999 ?-999 ?-999 ? C8 PG5 F 166 mTYR^F 6 109.73 -10.88 87.05 108.80 -11.14 86.78 111.41 -9.28 86.24 112.59 -9.10 86.47 110.82 -10.69 86.11 110.33 -10.93 84.69 3 0 42.92-999 ?-999 ?-999 ? C8 PG5 F 166 mPHE^F 7 110.55 -8.28 86.09 109.61 -8.57 85.90 111.56 -6.61 87.60 112.57 -5.89 87.73 110.98 -6.89 86.21 109.82 -5.92 85.90 3 0 40.10-999 ?-999 ?-999 ? C8 PG5 F 166 mGLN^F 8 110.97 -7.19 88.64 110.15 -7.72 88.44 112.92 -7.65 90.09 113.80 -7.11 90.75 111.55 -6.99 89.96 110.64 -7.43 91.10 2 0 38.72-999 ?-999 ?-999 ? C8 PG5 F 166 mGLY^F 9 113.09 -8.80 89.44 112.27 -9.15 88.99 115.45 -8.63 88.73 116.57 -8.46 89.26 114.38 -9.48 89.41-999.99-999.99-999.99 1 0 38.94-999 ?-999 ?-999 ? C8 PG5 F 166 mMETF 10 115.10 -8.11 87.56 114.20 -8.40 87.24 116.42 -6.01 87.65 117.58 -5.60 87.60 115.99 -7.21 86.82 115.31 -6.72 85.54 2 0 37.07-999 ?-999 ?-999 ? C8 PG5 F 166 mSER^F 11 115.49 -5.43 88.40 114.58 -5.84 88.30 116.75 -4.71 90.41 117.72 -3.99 90.73 115.81 -4.29 89.30 114.55 -3.71 89.92 2 0 34.23-999 ?-999 ?-999 ? C8 PG5 F 166 mASP^F 12 116.49 -5.87 91.00 115.66 -6.34 90.67 118.76 -6.57 91.52 119.73 -6.31 92.25 117.35 -6.39 92.04 116.84 -7.75 92.58 2 0 34.19-999 ?-999 ?-999 ? C8 PG5 F 166 mVAL^F 13 118.88 -7.04 90.27 118.02 -7.22 89.80 120.87 -5.90 89.47 122.03 -5.76 89.81 120.19 -7.26 89.68 120.12 -8.00 88.34 3 0 33.94-999 ?-999 ?-999 ? C8 PG5 F 166 mILE^F 14 120.12 -4.92 88.99 119.18 -5.19 88.78 121.25 -3.00 90.13 122.40 -2.57 90.22 120.71 -3.55 88.80 119.72 -2.56 88.11 3 0 31.00-999 ?-999 ?-999 ? C8 PG5 F 166 mGLU^F 15 120.41 -3.00 91.17 119.51 -3.38 90.97 121.92 -3.34 93.13 122.75 -2.83 93.90 120.83 -2.48 92.47 119.65 -2.33 93.42 2 0 29.01-999 ?-999 ?-999 ? C8 PG5 F 166 mGLY^F 16 121.93 -4.64 92.82 121.17 -4.94 92.25 124.33 -5.20 92.71 125.37 -5.21 93.39 122.98 -5.53 93.31-999.99-999.99-999.99 1 0 30.25-999 ?-999 ?-999 ? C8 PG5 F 166 mARG^F 17 124.32 -4.91 91.42 123.43 -5.00 90.99 126.10 -3.20 91.31 127.31 -3.05 91.43 125.54 -4.51 90.72 125.27 -4.30 89.24 2 0 28.90-999 ?-999 ?-999 ? C8 PG5 F 166 mLEU^F 18 125.20 -2.29 91.68 124.25 -2.56 91.54 126.25 -1.23 93.64 127.27 -0.61 93.98 125.62 -1.00 92.26 124.42 -0.09 92.37 3 0 25.41-999 ?-999 ?-999 ? C8 PG5 F 166 mLYS^F 19 125.66 -2.14 94.43 124.80 -2.50 94.06 127.63 -3.16 95.53 128.55 -2.91 96.31 126.26 -2.54 95.71 125.36 -3.52 96.46 2 0 25.74-999 ?-999 ?-999 ? C8 PG5 F 166 mGLU^F 20 127.79 -3.97 94.49 126.96 -4.13 93.96 130.15 -3.47 93.93 131.32 -3.68 94.21 129.11 -4.55 94.20 129.04 -5.52 93.03 2 0 26.81-999 ?-999 ?-999 ? C8 PG5 F 166 mLEU^F 21 129.73 -2.32 93.42 128.76 -2.31 93.19 130.80 -0.32 94.48 131.60 0.63 94.47 130.62 -1.17 93.22 130.11 -0.28 92.09 3 0 23.46-999 ?-999 ?-999 ? C8 PG5 F 166 mGLY^F 22 130.07 -0.61 95.55 129.39 -1.33 95.40 129.21 1.12 97.20 129.33 1.78 98.26 130.27 0.10 96.81-999.99-999.99-999.99 1 0 21.67-999 ?-999 ?-999 ? C8 PG5 F 166 mPHE^F 23 128.15 1.23 96.40 128.13 0.55 95.66 125.74 1.64 96.94 125.33 0.64 96.38 127.12 2.23 96.60 127.01 3.09 95.33 3 0 21.02-999 ?-999 ?-999 ? C8 PG5 F 166 mTHR^F 24 125.04 2.30 97.85 125.56 2.96 98.39 122.88 3.29 97.48 123.41 4.42 97.50 123.62 2.08 98.02 123.25 1.85 99.52 2 0 22.89-999 ?-999 ?-999 ? C8 PG5 F 166 mLEU^F 25 121.67 3.08 96.97 121.40 2.11 96.91 120.32 4.97 97.75 119.80 4.40 98.73 120.83 4.19 96.54 119.63 3.72 95.73 3 0 23.24-999 ?-999 ?-999 ? C8 PG5 F 166 mPRO^F 26 120.47 6.29 97.70 120.97 6.68 96.93 118.39 7.13 98.62 117.86 6.82 97.55 119.89 7.06 98.77 120.52 8.44 98.58 3 0 21.87-999 ?-999 ?-999 ? C8 PG5 F 166 mVAL^F 27 117.74 7.52 99.71 118.28 7.42 100.54 116.33 9.38 98.93 115.83 9.46 97.79 116.37 8.04 99.70 115.87 8.27 101.14 3 0 24.22-999 ?-999 ?-999 ? C8 PG5 F 166 mALA^F 33 109.47 21.90 96.29 109.14 21.06 96.71 109.19 23.41 94.39 108.44 22.56 93.91 109.96 23.14 95.68 111.52 23.04 95.39 2 0 22.96-999 ?-999 ?-999 ? C1 PG5 F 166 mASN^F 34 109.38 24.60 93.83 109.94 25.23 94.37 109.54 24.29 91.36 109.07 24.33 90.22 108.80 24.94 92.53 108.75 26.44 92.37 2 0 24.48-999 ?-999 ?-999 ? O1 PG5 F 166 mTYR^F 35 110.71 23.73 91.65 111.10 24.02 92.52 111.36 21.39 91.40 111.41 21.26 92.63 111.34 22.76 90.75 112.75 23.17 90.28 3 0 23.17-999 ?-999 ?-999 ? O1 PG5 F 166 mVAL^F 36 111.29 20.37 90.55 111.36 20.65 89.59 112.36 18.18 90.52 113.05 18.57 89.59 111.14 18.98 90.97 109.85 18.39 90.36 3 0 24.49-999 ?-999 ?-999 ? O1 PG5 F 166 mPRO^F 37 112.63 17.05 91.18 112.00 16.82 91.92 113.70 15.58 89.42 114.72 15.21 88.87 113.80 16.25 90.78 113.92 15.20 91.87 3 0 23.65-999 ?-999 ?-999 ? O1 PG5 F 166 mPHE^F 38 112.48 15.45 88.88 111.72 15.78 89.44 110.96 15.21 86.96 110.00 15.52 87.69 112.31 14.88 87.56 112.51 13.35 87.56 3 0 26.80-999 ?-999 ?-999 ? O1 PG5 F 166 mTHR^F 39 110.89 15.15 85.64 111.78 15.02 85.20 109.60 14.23 83.81 110.65 13.71 83.41 109.62 15.26 84.90 109.42 16.62 84.21 2 0 29.86-999 ?-999 ?-999 ? O1 PG5 F 166 mILE^F 40 108.40 13.90 83.33 107.63 14.38 83.76 107.45 13.51 81.15 106.43 14.15 81.38 108.26 12.91 82.27 107.58 11.59 82.77 3 0 33.26-999 ?-999 ?-999 ? O1 PG5 F 166 mSER^F 41 107.91 13.34 79.93 108.83 12.93 79.89 107.18 12.55 77.79 108.25 12.13 77.36 107.13 13.72 78.77 107.64 15.03 78.15 2 0 35.62-999 ?-999 ?-999 ? O1 PG5 F 166 mGLY^F 42 106.02 11.98 77.48 105.21 12.40 77.87 106.74 9.71 77.32 106.46 9.42 78.48 105.99 10.82 76.63-999.99-999.99-999.99 1 0 38.93-999 ?-999 ?-999 ? O1 PG5 F 166 mASN^F 43 107.74 9.16 76.64 107.87 9.51 75.72 109.97 8.62 77.63 110.92 7.83 77.73 108.57 8.12 77.25 108.66 6.88 76.39 2 0 38.22-999 ?-999 ?-999 ? C8 PG5 F 166 mLEU^F 44 110.08 9.93 77.78 109.23 10.42 77.58 111.23 11.13 79.64 110.33 11.91 79.95 111.36 10.58 78.22 111.79 11.69 77.23 3 0 34.69-999 ?-999 ?-999 ? O1 PG5 F 166 mLEU^F 45 112.17 10.72 80.49 112.80 10.08 80.06 113.50 12.10 81.92 114.61 11.72 81.50 112.30 11.13 81.88 112.64 9.93 82.72 3 0 31.67-999 ?-999 ?-999 ? O1 PG5 F 166 mTYR^F 46 113.23 13.32 82.36 112.27 13.44 82.59 114.59 14.50 83.93 113.72 14.87 84.72 114.24 14.38 82.49 113.68 15.72 82.08 3 0 28.40-999 ?-999 ?-999 ? O1 PG5 F 166 mVAL^F 47 115.85 14.19 84.27 116.47 13.98 83.51 117.05 15.49 85.91 117.92 15.87 85.11 116.27 14.18 85.65 117.14 12.92 86.00 3 0 25.43-999 ?-999 ?-999 ? O1 PG5 F 166 mSER^F 48 116.67 16.18 86.98 115.90 15.78 87.47 118.82 17.19 87.70 119.25 16.07 88.04 117.35 17.42 87.39 116.68 18.02 88.60 2 0 22.05-999 ?-999 ?-999 ? O1 PG5 F 166 mGLY^F 49 119.60 18.26 87.57 119.17 19.06 87.15 121.16 17.67 89.43 120.62 18.25 90.39 121.00 18.22 88.01-999.99-999.99-999.99 1 0 18.99-999 ?-999 ?-999 ? O1 PG5 F 166 mGLN^F 50 121.94 16.60 89.53 122.32 16.32 88.65 123.66 16.23 91.22 124.56 16.29 90.39 122.23 15.90 90.81 122.08 14.39 90.68 2 0 17.82-999 ?-999 ?-999 ? C8 PG5 F 166 mLEU^F 51 123.84 16.36 92.53 122.99 16.21 93.04 125.68 15.45 93.85 125.00 14.41 93.96 125.09 16.69 93.18 124.84 17.79 94.21 3 0 14.09-999 ?-999 ?-999 ? C8 PG5 F 166 mPRO^F 52 126.94 15.52 94.31 127.36 16.42 94.26 127.21 14.07 96.27 128.05 14.23 97.17 127.60 14.34 94.83 129.11 14.69 94.72 3 0 12.24-999 ?-999 ?-999 ? C8 PG5 F 166 mMETF 53 125.94 13.69 96.47 125.42 13.57 95.63 125.69 12.07 98.28 125.49 11.10 97.56 125.38 13.46 97.82 123.85 13.62 97.86 2 0 13.79-999 ?-999 ?-999 ? C8 PG5 F 166 mGLU^F 54 126.20 11.97 99.51 126.40 12.85 99.95 126.01 10.85 101.58 126.45 11.78 102.26 126.44 10.68 100.13 127.90 10.28 100.04 2 0 14.54-999 ?-999 ?-999 ? C8 PG5 F 166 mSER^F 55 125.10 9.97 102.02 124.89 9.25 101.35 123.94 11.41 103.68 124.14 11.90 104.77 124.47 10.03 103.35 125.44 9.57 104.44 2 0 16.89-999 ?-999 ?-999 ? C8 PG5 F 166 mGLY^F 56 123.29 12.04 102.72 123.28 11.56 101.84 123.54 14.56 102.96 123.05 15.64 103.26 122.65 13.33 102.95-999.99-999.99-999.99 1 0 16.55-999 ?-999 ?-999 ? C8 PG5 F 166 mLYS^F 57 124.81 14.43 102.59 125.06 13.50 102.30 126.50 15.56 101.29 126.69 14.51 100.71 125.75 15.54 102.60 126.77 15.33 103.73 2 0 12.82-999 ?-999 ?-999 ? C8 PG5 F 166 mILE^F 58 126.95 16.74 100.87 126.69 17.49 101.46 129.15 16.34 100.00 129.81 16.86 100.90 127.77 16.88 99.64 127.84 18.35 99.10 3 0 10.05-999 ?-999 ?-999 ? C8 PG5 F 166 mALA^F 59 129.57 15.28 99.32 128.99 15.05 98.54 132.00 15.06 99.06 133.09 14.83 99.58 130.74 14.51 99.68 130.58 13.05 99.22 2 0 8.77-999 ?-999 ?-999 ? C8 PG5 F 166 mVAL^F 60 131.89 15.79 97.96 130.95 15.99 97.67 132.86 17.67 96.81 131.96 17.92 96.04 133.10 16.25 97.26 133.47 15.40 96.03 3 0 6.24-999 ?-999 ?-999 ? C8 PG5 F 166 mTHR^F 61 133.67 18.59 97.32 134.41 18.22 97.88 134.78 20.67 96.62 135.92 20.18 96.87 133.48 20.00 97.05 133.02 20.75 98.32 2 0 -4.39-999 ?-999 ?-999 ? C8 PG5 F 166s mGLY^F 62 134.61 21.82 95.97 133.66 22.11 95.90 136.04 22.27 93.96 135.35 21.48 93.25 135.74 22.56 95.42-999.99-999.99-999.99 1 0 3.91-999 ?-999 ?-999 ? C7 PG5 F 166 mLEU^F 63 137.07 22.98 93.49 137.58 23.47 94.20 138.38 21.92 91.74 139.40 21.76 92.36 137.41 23.02 92.08 138.04 24.36 91.67 3 0 7.03-999 ?-999 ?-999 ? O3 PG5 F 166 mVAL^F 64 138.06 21.19 90.69 137.15 21.41 90.32 140.19 20.89 89.54 140.07 21.83 88.73 138.98 20.17 90.16 138.32 19.20 89.17 3 0 9.45-999 ?-999 ?-999 ? C8 PG5 F 166 mGLY^F 65 141.36 20.45 89.95 141.30 19.65 90.56 143.12 22.04 90.59 144.22 22.57 90.43 142.62 21.06 89.56-999.99-999.99-999.99 1 0 8.23-999 ?-999 ?-999 ? C7 PG5 H 166 mARG^F 66 142.34 22.25 91.66 141.47 21.76 91.61 142.48 22.40 94.12 143.41 22.13 94.86 142.72 23.10 92.79 142.00 24.46 92.75 2 0 -4.77-999 ?-999 ?-999 ? C5 PG5 H 166s mASP^F 67 141.23 22.12 94.41 140.61 22.35 93.66 140.68 20.02 95.68 140.80 19.37 96.73 140.80 21.54 95.69 139.43 22.11 96.03 2 0 -5.10-999 ?-999 ?-999 ? C4 PG5 H 166s mVAL^F 68 140.44 19.48 94.49 140.49 20.16 93.75 140.93 17.61 93.00 141.07 18.33 92.02 140.14 18.07 94.22 138.60 17.95 94.00 3 0 6.47-999 ?-999 ?-999 ? C8 PG5 F 166 mASP^F 69 141.46 16.39 93.07 141.35 15.95 93.96 141.16 14.93 91.10 140.00 14.83 91.46 142.13 15.77 91.94 143.32 14.92 92.41 2 0 10.15-999 ?-999 ?-999 ? C8 PG5 F 166 mVAL^F 70 141.63 14.33 90.01 142.62 14.42 89.87 140.08 12.40 89.79 138.87 12.18 89.61 140.74 13.59 89.11 141.45 13.18 87.82 3 0 12.92-999 ?-999 ?-999 ? C8 PG5 F 166 mALA^F 71 140.83 11.67 90.59 141.77 11.99 90.69 139.13 10.88 92.16 138.07 10.25 92.15 140.27 10.48 91.24 141.32 9.72 92.00 2 0 13.29-999 ?-999 ?-999 ? C8 PG5 F 166 mSER^F 72 139.35 11.92 92.95 140.26 12.33 92.88 137.09 12.91 93.06 135.94 12.70 93.45 138.30 12.39 93.84 138.82 13.46 94.79 2 0 9.90-999 ?-999 ?-999 ? C8 PG5 F 166 mALA^F 73 137.33 13.60 91.94 138.30 13.71 91.73 135.46 13.00 90.42 134.26 13.09 90.24 136.24 14.13 91.11 136.75 15.16 90.08 2 0 10.51-999 ?-999 ?-999 ? C8 PG5 F 166 mGLN^F 74 136.16 11.91 90.08 137.14 11.99 90.24 134.54 10.09 90.55 133.46 9.68 90.19 135.51 10.71 89.52 136.54 9.70 89.05 2 0 14.01-999 ?-999 ?-999 ? C8 PG5 F 166 mARG^F 75 134.94 10.06 91.82 135.88 10.36 91.95 132.85 10.56 93.01 131.72 10.11 93.21 134.06 9.63 92.90 134.84 9.63 94.22 2 0 13.04-999 ?-999 ?-999 ? C8 PG5 F 166 mALA^F 76 133.08 11.86 92.85 134.04 12.12 92.74 130.97 12.43 91.72 129.75 12.38 91.92 131.96 12.79 92.85 132.46 14.22 92.68 2 0 11.38-999 ?-999 ?-999 ? C8 PG5 F 166 mALA^F 77 131.52 12.23 90.52 132.52 12.34 90.49 129.90 10.59 89.65 128.72 10.47 89.31 130.71 11.88 89.36 131.59 11.70 88.15 2 0 14.72-999 ?-999 ?-999 ? C8 PG5 F 166 mGLU^F 78 130.57 9.64 90.28 131.51 9.89 90.49 128.77 8.62 91.51 127.66 8.11 91.26 129.94 8.34 90.62 130.91 7.41 91.34 2 0 16.64-999 ?-999 ?-999 ? C8 PG5 F 166 mLEU^F 79 128.98 9.47 92.52 129.92 9.81 92.59 126.73 10.57 92.72 125.55 10.31 92.99 127.89 9.85 93.42 128.41 10.67 94.60 3 0 15.33-999 ?-999 ?-999 ? C8 PG5 F 166 mCYH^F 80 127.06 11.49 91.81 128.04 11.67 91.72 125.19 11.10 90.29 123.98 11.16 90.30 126.03 12.16 91.01 126.63 13.14 90.00 2 0 16.24-999 ?-999 ?-999 ? C8 PG5 F 166 mALA^F 81 125.87 10.12 89.68 126.86 10.22 89.77 124.29 8.22 89.86 123.19 7.88 89.47 125.21 9.02 88.95 126.27 8.08 88.24 2 0 19.59-999 ?-999 ?-999 ? C8 PG5 F 166 mVAL^F 82 124.75 7.91 91.06 125.67 8.26 91.25 122.70 7.91 92.38 121.58 7.34 92.47 123.96 7.12 92.00 124.79 6.76 93.26 3 0 20.19-999 ?-999 ?-999 ? C8 PG5 F 166 mASN^F 83 122.85 9.23 92.54 123.79 9.56 92.44 120.74 10.17 91.64 119.53 10.18 91.85 121.72 10.10 92.82 122.17 11.48 93.29 2 0 19.74-999 ?-999 ?-999 ? C8 PG5 F 166 mILE^F 84 121.26 10.19 90.42 122.26 10.26 90.41 119.60 8.82 89.24 118.36 8.84 89.02 120.43 10.11 89.20 121.27 10.19 87.89 3 0 22.17-999 ?-999 ?-999 ? C8 PG5 F 166 mLEU^F 85 120.28 7.72 89.54 121.25 7.87 89.74 118.53 6.36 90.65 117.48 5.75 90.45 119.60 6.39 89.56 120.60 5.25 89.68 3 0 24.57-999 ?-999 ?-999 ? C8 PG5 F 166 mALA^F 86 118.78 6.98 91.80 119.72 7.33 91.87 116.55 7.86 92.36 115.41 7.44 92.63 117.78 7.12 92.86 118.38 7.82 94.09 2 0 24.43-999 ?-999 ?-999 ? C8 PG5 F 166 mGLN^F 87 116.75 8.95 91.61 117.71 9.20 91.48 114.82 8.86 90.04 113.58 8.88 90.03 115.60 9.68 91.05 116.05 10.99 90.38 2 0 25.51-999 ?-999 ?-999 ? C8 PG5 F 166 mVAL^F 88 115.56 8.15 89.18 116.55 8.26 89.31 114.11 6.18 88.83 112.99 5.89 88.40 114.95 7.30 88.16 116.00 6.70 87.22 3 0 28.17-999 ?-999 ?-999 ? C8 PG5 F 166 mLYS^F 89 114.66 5.57 89.86 115.58 5.90 90.08 112.64 5.08 91.14 111.60 4.43 91.02 113.96 4.53 90.60 114.84 4.00 91.73 2 0 29.50-999 ?-999 ?-999 ? C8 PG5 F 166 mALA^F 90 112.68 6.28 91.74 113.60 6.68 91.80 110.47 7.22 91.12 109.26 6.94 91.27 111.47 6.92 92.25 111.78 8.19 93.05 2 0 29.92-999 ?-999 ?-999 ? C8 PG5 F 166 mALA^F 91 110.98 7.74 90.00 111.97 7.90 90.05 109.45 6.79 88.25 108.34 6.92 87.67 110.16 8.04 88.81 111.00 8.68 87.71 2 0 31.56-999 ?-999 ?-999 ? C8 PG5 F 166 mLEU^F 92 110.10 5.63 88.40 110.94 5.70 88.94 108.95 3.47 88.89 108.78 2.26 88.68 109.62 4.36 87.85 110.79 3.62 87.20 3 0 33.93-999 ?-999 ?-999 ? C8 PG5 F 166 mASN^F 93 108.57 4.07 90.01 108.81 5.05 90.03 108.60 2.17 91.69 107.96 1.17 92.04 107.89 3.40 91.12 106.47 3.05 90.68 2 0 34.88-999 ?-999 ?-999 ? C8 PG5 F 166 mGLY^F 94 109.92 2.26 91.80 110.29 3.12 91.43 111.48 0.33 91.40 112.30 -0.51 91.81 110.76 1.24 92.39-999.99-999.99-999.99 1 0 33.41-999 ?-999 ?-999 ? C8 PG5 F 166 mASP^F 95 111.20 0.49 90.11 110.61 1.28 89.91 112.71 0.14 88.01 112.31 0.54 86.91 111.72 -0.41 89.08 110.53 -1.07 88.39 2 0 34.50-999 ?-999 ?-999 ? C8 PG5 F 166 mLEU^F 96 114.00 0.09 88.33 114.16 -0.21 89.27 115.11 -0.39 86.09 115.76 -0.01 85.14 115.07 0.44 87.39 116.44 0.40 88.08 3 0 32.16-999 ?-999 ?-999 ? C8 PG5 F 166 mSER^F 97 114.42 -1.54 86.09 114.01 -1.76 86.97 113.36 -1.76 83.86 113.37 -2.17 82.69 114.29 -2.38 84.90 113.76 -3.77 85.30 2 0 35.44-999 ?-999 ?-999 ? C8 PG5 F 166 mLYS^F 98 112.59 -0.75 84.26 112.59 -0.62 85.25 112.61 1.14 82.55 112.04 1.88 81.75 111.81 0.06 83.32 110.63 0.70 84.06 2 0 36.31-999 ?-999 ?-999 ? C8 PG5 F 166 mILE^F 99 113.92 1.25 82.80 114.21 0.78 83.63 115.00 1.31 80.57 115.44 0.16 80.51 114.82 2.02 81.92 116.23 2.20 82.55 3 0 33.85-999 ?-999 ?-999 ? C8 PG5 F 166 mARG^F 100 114.69 1.99 79.48 114.26 2.88 79.64 116.38 1.83 77.66 117.11 1.01 77.16 114.99 1.44 78.15 113.94 1.87 77.14 2 0 36.14-999 ?-999 ?-999 ? C8 PG5 F 166 mARG^F 101 116.72 3.11 77.80 116.02 3.67 78.22 118.33 4.89 78.15 117.44 5.73 78.29 118.03 3.61 77.38 118.00 3.91 75.88 2 0 33.71-999 ?-999 ?-999 ? C8 PG5 F 166 mVAL^F 102 119.56 5.03 78.64 120.11 4.20 78.65 120.40 7.12 77.87 121.33 6.76 77.15 120.01 6.34 79.12 121.19 6.23 80.10 3 0 30.10-999 ?-999 ?-999 ? C8 PG5 F 166 mILE^F 103 119.65 8.16 77.58 118.98 8.39 78.28 121.00 9.88 76.35 121.81 9.96 75.39 119.82 8.90 76.32 118.51 9.64 75.96 3 0 29.78-999 ?-999 ?-999 ? C7 PG5 J 166 mLYS^F 104 121.10 10.62 77.44 120.48 10.34 78.18 122.39 12.01 79.00 121.49 12.05 79.84 122.05 11.73 77.54 121.43 12.97 76.89 2 0 26.46-999 ?-999 ?-999 ? C7 PG5 J 166 mLEU^F 105 123.67 12.21 79.28 124.29 11.91 78.56 124.80 14.13 80.21 125.61 14.18 79.29 124.12 12.82 80.54 125.15 11.97 81.29 3 0 24.09-999 ?-999 ?-999 ? C7 PG5 J 166 mASN^F 106 124.51 15.15 80.99 123.75 15.00 81.61 126.12 16.49 82.17 125.57 16.61 83.26 125.30 16.40 80.89 124.41 17.64 80.70 2 0 21.78-999 ?-999 ?-999 ? C7 PG5 J 166 mGLY^F 107 127.45 16.43 82.02 127.75 16.37 81.07 129.05 17.79 83.29 129.81 18.20 82.42 128.37 16.44 83.15-999.99-999.99-999.99 1 0 18.92-999 ?-999 ?-999 ? C8 PG5 F 166 mPHE^F 108 128.78 18.45 84.42 128.19 17.94 85.04 130.34 19.66 85.79 130.04 19.18 86.91 129.28 19.78 84.73 128.12 20.58 85.27 3 0 16.51-999 ?-999 ?-999 ? C5 PG5 F 166 mVAL^F 109 131.58 20.01 85.47 131.68 20.42 84.56 133.26 21.16 86.85 133.77 21.89 86.04 132.68 19.79 86.41 133.81 18.95 85.76 3 0 13.74-999 ?-999 ?-999 ? C7 PG5 F 166 mALA^F 110 133.15 21.49 88.13 132.66 20.81 88.67 135.23 22.68 88.46 135.87 21.76 89.00 133.72 22.76 88.65 133.35 22.96 90.14 2 0 10.57-999 ?-999 ?-999 ? C5 PG5 F 166 mSER^F 111 135.78 23.61 87.67 135.18 24.38 87.47 137.95 24.75 87.25 137.39 25.81 86.98 137.18 23.46 87.15 137.14 23.07 85.67 2 0 11.51-999 ?-999 ?-999 ? C6 PG5 J 166 mVAL^F 112 139.24 24.69 87.58 139.53 23.85 88.05 140.36 25.81 85.75 140.21 24.78 85.13 140.11 25.82 87.25 141.46 25.78 88.04 3 0 9.67-999 ?-999 ?-999 ? C6 PG5 J 166 mPRO^F 113 140.70 26.97 85.16 140.83 27.74 85.78 142.00 26.17 83.13 141.98 25.90 81.93 140.87 27.03 83.70 141.18 28.49 83.45 3 0 7.24-999 ?-999 ?-999 ? C6 PG5 J 166 mGLU^F 114 142.97 25.80 83.96 142.89 26.19 84.87 143.63 23.41 83.55 144.35 22.55 83.01 144.03 24.88 83.54 145.33 25.08 84.34 2 0 4.27-999 ?-999 ?-999 ? C6 PG5 J 166 mPHE^F 115 142.49 23.13 84.18 142.01 23.91 84.57 141.21 21.41 82.98 140.25 22.10 82.63 141.99 21.76 84.26 141.11 21.50 85.48 3 0 6.31-999 ?-999 ?-999 ? C6 PG5 J 166 mVAL^F 116 141.66 20.36 82.29 142.38 19.85 82.77 140.84 18.48 80.78 140.85 17.94 79.67 141.11 20.00 80.94 142.06 20.52 79.84 3 0 5.83-999 ?-999 ?-999 ? C7 PG5 J 166 mGLU^F 117 140.59 17.82 81.90 140.68 18.38 82.72 138.81 16.17 82.45 138.54 15.15 83.10 140.23 16.40 81.92 141.27 15.57 82.68 2 0 8.85-999 ?-999 ?-999 ? C7 PG5 J 166 mGLN^F 118 137.88 17.06 82.08 138.21 17.82 81.53 135.90 15.58 81.93 135.05 14.99 82.54 136.48 16.88 82.48 135.60 18.06 82.07 2 0 11.60-999 ?-999 ?-999 ? C7 PG5 J 166 mHIS^F 119 136.38 15.14 80.77 137.03 15.75 80.33 136.32 12.70 81.15 135.53 11.81 81.38 135.94 13.84 80.22 136.46 13.65 78.80 3 0 13.39-999 ?-999 ?-999 ? C7 PG5 J 166 mLEU^F 120 137.51 12.75 81.74 138.07 13.54 81.50 137.11 11.72 83.93 136.76 10.65 84.50 137.93 11.70 82.66 139.41 11.86 82.97 3 0 13.85-999 ?-999 ?-999 ? O4 PG5 J 166 mVAL^F 121 136.77 12.93 84.38 137.12 13.70 83.85 134.57 12.39 85.32 134.10 11.57 86.12 135.93 13.04 85.56 135.75 14.52 86.00 3 0 15.21-999 ?-999 ?-999 ? C7 PG5 J 166 mILE^F 122 133.92 12.75 84.24 134.44 13.36 83.64 132.56 10.77 83.63 131.54 10.08 83.83 132.55 12.27 83.97 131.84 13.10 82.90 3 0 17.61-999 ?-999 ?-999 ? C7 PG5 J 166 mASN^F 123 133.70 10.26 83.15 134.39 10.93 82.90 133.51 8.06 84.33 133.06 6.94 84.29 133.85 8.79 83.02 135.24 8.38 82.55 2 0 18.74-999 ?-999 ?-999 ? C7 PG5 J 166 mGLY^F 124 133.70 8.65 85.51 134.16 9.54 85.47 131.75 7.64 86.69 131.32 6.51 87.02 133.24 7.98 86.74-999.99-999.99-999.99 1 0 18.23-999 ?-999 ?-999 ? C8 PG5 F 166 mALA^F 125 130.95 8.61 86.26 131.43 9.47 86.06 129.19 7.48 84.94 128.38 6.53 85.05 129.49 8.42 86.10 128.79 9.78 85.89 2 0 19.53-999 ?-999 ?-999 ? C8 PG5 F 166 mSER^F 126 129.80 7.73 83.79 130.46 8.48 83.83 129.84 5.47 82.81 129.05 4.58 82.44 129.50 6.94 82.60 130.22 7.46 81.36 2 0 22.91-999 ?-999 ?-999 ? C8 PG5 F 166 mASN^F 127 130.98 5.21 83.43 131.52 6.02 83.66 130.44 3.19 84.74 130.04 2.02 84.55 131.38 3.85 83.72 132.83 3.81 84.17 2 0 23.59-999 ?-999 ?-999 ? C8 PG5 F 166 mLEU^F 128 130.04 3.91 85.79 130.43 4.83 85.84 127.76 3.00 86.11 127.25 1.90 86.29 129.11 3.35 86.77 128.92 4.27 87.98 3 0 22.77-999 ?-999 ?-999 ? C8 PG5 F 166 mILE^F 129 127.20 3.92 85.34 127.76 4.75 85.23 125.89 2.55 83.73 124.98 1.73 83.75 125.89 3.72 84.71 125.42 5.01 84.00 3 0 24.98-999 ?-999 ?-999 ? C8 PG5 F 166 mALA^F 130 126.89 2.48 82.86 127.52 3.26 82.92 127.31 0.01 82.58 126.87 -1.03 82.05 127.06 1.37 81.91 128.18 1.65 80.95 2 0 27.82-999 ?-999 ?-999 ? C8 PG5 F 166 mTHR^F 131 128.02 0.02 83.70 128.36 0.93 83.96 127.01 -1.80 85.09 126.78 -3.03 85.02 128.29 -1.20 84.47 129.38 -0.97 85.55 2 0 27.79-999 ?-999 ?-999 ? C8 PG5 F 166 mVAL^F 132 126.18 -0.95 85.68 126.40 0.02 85.55 123.83 -1.71 85.52 123.01 -2.56 85.82 125.03 -1.43 86.44 124.67 -0.50 87.63 3 0 28.21-999 ?-999 ?-999 ? C8 PG5 F 166 mLEU^F 133 123.76 -1.02 84.38 124.54 -0.40 84.22 122.97 -2.02 82.24 122.04 -2.48 81.52 122.64 -1.16 83.46 122.14 0.22 83.00 3 0 30.56-999 ?-999 ?-999 ? C8 PG5 F 166 mGLY^F 134 124.25 -2.20 81.96 124.87 -1.86 82.67 124.50 -1.96 79.53 124.56 -0.74 79.62 124.71 -2.83 80.75-999.99-999.99-999.99 1 0 32.36-999 ?-999 ?-999 ? C8 PG5 F 166 mGLU^F 135 124.24 -2.59 78.38 124.13 -3.58 78.47 123.15 -0.67 77.14 123.47 0.39 76.59 124.13 -1.86 77.11 123.75 -2.82 75.98 2 0 32.89-999 ?-999 ?-999 ? C7 PG5 J 166 mPRO^F 136 121.96 -0.86 77.72 121.79 -1.79 78.03 121.54 1.48 78.62 120.99 2.58 78.45 121.00 0.25 77.88 119.86 -0.37 78.67 3 0 33.59-999 ?-999 ?-999 ? C7 PG5 J 166 mGLY^F 137 122.58 1.27 79.43 122.83 0.30 79.51 124.20 3.23 79.29 124.58 4.32 79.77 123.29 2.34 80.14-999.99-999.99-999.99 1 0 29.88-999 ?-999 ?-999 ? C8 PG5 F 166 mARG^F 138 124.54 2.83 78.07 124.14 1.95 77.79 124.67 4.79 76.60 123.61 4.63 76.01 125.43 3.61 77.22 126.08 2.76 76.15 2 0 28.09-999 ?-999 ?-999 ? C7 PG5 J 166 mHIS^F 139 125.24 5.98 76.76 126.21 5.93 77.00 125.38 8.21 75.81 126.62 8.08 75.80 124.52 7.25 76.60 124.26 7.86 78.00 3 0 26.59-999 ?-999 ?-999 ? C7 PG5 J 166 mALA^F 140 124.71 9.15 75.15 123.75 8.92 75.02 125.70 11.28 75.85 125.21 11.08 76.95 125.34 10.40 74.65 124.43 11.15 73.73 2 0 24.51-999 ?-999 ?-999 ? C7 PG5 J 166 mARG^F 141 126.60 12.24 75.64 126.87 12.40 74.70 127.74 14.29 76.37 128.26 14.42 75.25 127.11 12.98 76.78 128.17 12.09 77.42 2 0 21.44-999 ?-999 ?-999 ? C7 PG5 J 166 mALA^F 142 127.72 15.25 77.29 127.08 15.07 78.03 129.35 16.49 78.55 128.83 16.07 79.60 128.58 16.44 77.22 127.76 17.70 77.04 2 0 18.71-999 ?-999 ?-999 ? C7 PG5 J 166 mALA^F 143 130.60 16.92 78.50 130.91 17.13 77.57 132.08 18.44 79.57 132.78 18.72 78.59 131.44 17.08 79.70 132.50 15.98 79.86 2 0 15.68-999 ?-999 ?-999 ? C7 PG5 J 166 mVAL^F 144 131.83 19.30 80.54 131.36 18.89 81.32 132.72 21.25 81.78 132.36 20.73 82.85 132.23 20.72 80.44 131.06 21.55 79.87 3 0 14.10-999 ?-999 ?-999 ? C7 PG5 J 166 mGLY^F 145 133.57 22.26 81.71 133.77 22.57 80.78 133.41 24.11 83.32 133.30 25.08 82.56 134.14 22.85 82.91-999.99-999.99-999.99 1 0 12.44-999 ?-999 ?-999 ? C6 PG5 J 166 mMETF 146 132.94 24.14 84.56 133.15 23.32 85.08 133.06 26.09 86.06 134.02 25.59 86.65 132.18 25.27 85.11 130.98 24.80 85.93 2 0 13.87-999 ?-999 ?-999 ? O2 PG5 F 166 mALA^F 147 132.67 27.34 86.28 131.88 27.60 85.72 133.13 27.77 88.68 134.02 27.88 89.51 133.34 28.25 87.25 132.82 29.68 87.10 2 0 11.24-999 ?-999 ?-999 ? O2 PG5 F 166 mSER^F 148 131.94 27.22 88.95 131.35 27.12 88.14 130.13 26.18 90.18 129.48 26.30 89.14 131.52 26.78 90.29 131.47 27.96 91.28 2 0 8.92-999 ?-999 ?-999 ? C3 PG5 F 166 mLEU^F 149 129.69 25.55 91.25 130.31 25.58 92.02 127.72 25.04 92.59 128.37 25.34 93.60 128.39 24.88 91.26 128.57 23.39 90.97 3 0 9.74-999 ?-999 ?-999 ? O1 PG5 F 166 mPRO^F 150 126.42 24.80 92.62 126.00 24.58 91.74 126.33 24.10 95.03 126.78 22.95 94.89 125.69 24.88 93.88 124.30 24.34 93.51 3 0 9.23-999 ?-999 ?-999 ? O1 PG5 F 166 mPHE^F 151 126.36 24.74 96.19 125.98 25.66 96.13 128.39 23.78 97.34 128.89 22.97 98.10 126.91 24.14 97.44 126.09 22.93 97.88 3 0 7.06-999 ?-999 ?-999 ? O1 PG5 F 166 mASN^F 152 129.07 24.39 96.35 128.54 25.06 95.83 130.67 22.64 95.57 131.77 22.14 95.70 130.45 24.10 96.03 131.33 24.43 97.24 2 0 -5.87-999 ?-999 ?-999 ? C3 PG5 F 166s mALA^F 153 129.63 21.95 95.06 128.74 22.42 95.09 130.90 20.69 93.43 130.96 21.66 92.66 129.81 20.63 94.50 128.51 20.15 93.85 2 0 8.62-999 ?-999 ?-999 ? C7 PG5 F 166 mSER^F 154 131.71 19.64 93.38 131.55 18.94 94.08 132.18 19.12 91.01 132.77 19.40 89.99 132.75 19.53 92.36 133.84 18.57 92.82 2 0 8.37-999 ?-999 ?-999 ? C8 PG5 F 166 mVAL^F 155 131.04 18.45 91.04 130.66 18.38 91.96 128.88 17.93 90.05 128.35 17.73 91.17 130.40 17.88 89.86 130.83 16.41 89.60 3 0 11.99-999 ?-999 ?-999 ? C8 PG5 F 166 mGLU^F 156 128.19 18.19 88.95 128.77 18.43 88.18 126.43 17.44 87.52 127.04 17.75 86.50 126.73 18.13 88.85 126.11 19.52 88.90 2 0 15.02-999 ?-999 ?-999 ? C8 PG5 F 166 mILE^F 157 125.46 16.55 87.54 125.00 16.45 88.42 123.58 15.65 86.23 122.91 15.30 87.19 125.10 15.78 86.35 125.74 14.34 86.32 3 0 18.39-999 ?-999 ?-999 ? C8 PG5 F 166 mASP^F 158 123.07 15.98 85.05 123.73 16.37 84.41 121.54 14.68 83.71 122.54 14.19 83.18 121.66 15.80 84.74 120.97 17.13 84.40 2 0 21.85-999 ?-999 ?-999 ? C8 PG5 F 166 mALA^F 159 120.32 14.24 83.46 119.59 14.74 83.92 118.78 13.16 81.85 117.81 13.70 82.37 120.13 13.10 82.56 120.22 11.76 83.36 2 0 25.07-999 ?-999 ?-999 ? C8 PG5 F 166 mILE^F 160 118.74 12.53 80.68 119.64 12.30 80.32 117.54 10.68 79.79 118.54 10.10 79.34 117.50 12.21 79.99 117.38 12.88 78.62 3 0 28.85-999 ?-999 ?-999 ? C8 PG5 F 166 mVAL^F 161 116.45 10.02 80.17 115.70 10.61 80.45 115.09 8.18 79.45 114.02 8.76 79.71 116.38 8.56 80.18 116.39 8.01 81.61 3 0 30.72-999 ?-999 ?-999 ? C8 PG5 F 166 mGLU^F 162 115.22 7.26 78.51 116.17 7.00 78.32 113.48 5.55 78.67 114.23 4.64 79.07 114.04 6.69 77.83 114.39 6.18 76.45 2 0 34.50-999 ?-999 ?-999 ? C8 PG5 F 166 mILE^F 163 112.18 5.59 78.94 111.66 6.30 78.46 110.42 3.90 79.21 109.94 4.34 78.18 111.58 4.64 79.88 111.17 5.33 81.21 3 0 35.86-999 ?-999 ?-999 ? C8 PG5 F 166 mASP^F 164 110.01 2.77 79.76 110.56 2.47 80.54 107.46 2.45 79.80 107.38 3.12 80.84 108.82 2.07 79.17 109.02 0.55 79.18 2 0 39.39-999 ?-999 ?-999 ? C8 PG5 F 166 mTHR^G 2 69.63 34.95 -7.26 69.64 33.95 -7.16 69.63 37.15 -6.05 70.27 38.20 -5.89 69.63 36.43 -7.42 68.42 36.92 -8.29 2 0 48.83-999 ?-999 ?-999 ? O1 PG5 G 166 mGLU^G 3 68.91 36.59 -5.07 68.42 35.76 -5.35 70.25 37.12 -3.07 70.71 38.12 -2.52 68.87 37.16 -3.71 67.88 36.40 -2.82 2 0 46.88-999 ?-999 ?-999 ? O1 PG5 G 166 mASN^G 4 70.90 35.97 -3.13 70.42 35.25 -3.62 73.30 36.56 -3.30 74.32 36.95 -2.74 72.22 35.81 -2.54 72.59 34.33 -2.42 2 0 44.49-999 ?-999 ?-999 ? O1 PG5 G 166 mLEU^G 5 73.06 36.77 -4.59 72.25 36.30 -4.94 73.76 39.08 -5.04 74.72 39.85 -5.02 73.94 37.61 -5.41 73.64 37.40 -6.91 3 0 44.24-999 ?-999 ?-999 ? O1 PG5 G 166 mTYR^G 6 72.51 39.47 -4.79 71.82 38.77 -4.93 72.98 41.12 -3.06 73.75 42.08 -3.01 72.19 40.81 -4.34 70.68 40.94 -4.11 3 0 43.44-999 ?-999 ?-999 ? C1 PG5 G 166 mPHE^G 7 72.83 40.27 -2.05 72.17 39.54 -2.23 75.08 40.36 -0.96 75.81 41.15 -0.34 73.57 40.42 -0.79 73.10 39.37 0.22 3 0 40.52-999 ?-999 ?-999 ? O1 PG5 G 166 mGLN^G 8 75.55 39.46 -1.81 74.87 38.81 -2.15 77.38 40.82 -2.78 78.44 41.36 -2.44 76.96 39.46 -2.19 77.27 38.35 -3.19 2 0 39.47-999 ?-999 ?-999 ? O1 PG5 G 166 mGLY^G 9 76.54 41.37 -3.67 75.72 40.84 -3.86 76.85 43.77 -3.28 77.79 44.57 -3.24 76.83 42.65 -4.30-999.99-999.99-999.99 1 0 39.54-999 ?-999 ?-999 ? C1 PG5 G 166 mMETG 10 75.80 43.83 -2.47 75.07 43.17 -2.67 77.00 44.75 -0.49 77.54 45.78 -0.11 75.75 44.80 -1.38 74.52 44.55 -0.53 2 0 37.65-999 ?-999 ?-999 ? C1 PG5 G 166 mSER^G 11 77.46 43.54 -0.15 76.90 42.78 -0.50 79.93 43.86 -0.04 80.82 44.44 0.58 78.67 43.38 0.67 78.82 41.93 1.13 2 0 34.91-999 ?-999 ?-999 ? O1 PG5 G 166 mASP^G 12 80.01 43.64 -1.36 79.28 43.07 -1.72 81.10 45.72 -2.13 82.18 46.33 -2.09 81.08 44.19 -2.17 80.94 43.75 -3.65 2 0 34.82-999 ?-999 ?-999 ? C1 PG5 G 166 mVAL^G 13 79.92 46.34 -2.20 79.13 45.74 -2.23 80.32 48.35 -0.86 81.07 49.34 -0.82 79.84 47.79 -2.22 78.42 48.28 -2.47 3 0 34.39-999 ?-999 ?-999 ? C1 PG5 G 166 mILE^G 14 79.86 47.72 0.21 79.24 46.97 -0.01 81.79 48.08 1.73 82.44 49.07 2.10 80.26 48.14 1.57 79.59 47.29 2.66 3 0 31.49-999 ?-999 ?-999 ? C1 PG5 G 166 mGLU^G 15 82.39 46.95 1.40 81.77 46.24 1.06 84.64 47.66 0.54 85.78 48.06 0.82 83.84 46.79 1.52 84.22 45.33 1.33 2 0 29.58-999 ?-999 ?-999 ? C1 PG5 G 166 mGLY^G 16 84.04 47.90 -0.63 83.17 47.44 -0.77 84.66 50.21 -1.12 85.65 50.90 -1.31 84.63 48.78 -1.61-999.99-999.99-999.99 1 0 30.65-999 ?-999 ?-999 ? C1 PG5 G 166 mARG^G 17 83.58 50.65 -0.49 82.83 50.00 -0.43 84.64 52.16 1.16 85.28 53.21 1.24 83.56 51.99 0.07 82.21 52.32 0.68 2 0 29.25-999 ?-999 ?-999 ? C1 PG5 G 166 mLEU^G 18 84.84 51.11 1.95 84.25 50.33 1.74 87.26 51.23 2.42 88.11 51.95 2.95 85.86 51.12 3.01 85.73 49.87 3.88 3 0 25.84-999 ?-999 ?-999 ? C1 PG5 G 166 mLYS^G 19 87.50 50.52 1.31 86.75 49.91 1.04 88.96 52.05 0.01 90.08 52.58 0.04 88.76 50.65 0.57 88.82 49.63 -0.55 2 0 26.10-999 ?-999 ?-999 ? C1 PG5 G 166 mGLU^G 20 87.88 52.67 -0.47 87.06 52.11 -0.50 88.32 55.06 0.24 88.87 56.13 -0.02 87.92 54.08 -0.89 86.57 54.49 -1.46 2 0 27.00-999 ?-999 ?-999 ? C1 PG5 G 166 mLEU^G 21 88.02 54.69 1.49 87.48 53.85 1.54 89.89 55.15 3.11 90.42 55.80 4.01 88.46 55.46 2.66 87.51 55.21 3.83 3 0 23.63-999 ?-999 ?-999 ? C1 PG5 G 166 mGLY^G 22 90.51 54.14 2.51 89.92 53.62 1.88 92.12 52.59 3.60 93.27 52.28 3.96 91.90 53.81 2.75-999.99-999.99-999.99 1 0 21.92-999 ?-999 ?-999 ? C1 PG5 G 166 mPHE^G 23 91.04 51.86 3.91 90.19 52.19 3.52 90.69 49.36 4.10 89.69 49.31 3.40 91.13 50.67 4.76 90.29 50.85 6.03 3 0 21.53-999 ?-999 ?-999 ? C1 PG5 G 166 mTHR^G 24 91.42 48.30 4.40 92.29 48.52 4.84 90.65 46.26 5.45 91.26 46.57 6.48 90.99 46.94 4.12 92.11 46.14 3.39 2 0 23.62-999 ?-999 ?-999 ? C1 PG5 G 166 mLEU^G 25 89.67 45.36 5.46 89.24 45.21 4.57 90.36 43.66 7.12 90.84 42.89 6.29 89.28 44.66 6.69 87.95 43.90 6.50 3 0 23.89-999 ?-999 ?-999 ? O1 PG5 G 166 mPRO^G 26 90.77 43.68 8.39 90.37 44.39 8.98 91.19 41.28 8.92 89.96 41.13 9.09 91.76 42.69 8.84 92.17 43.21 10.23 3 0 22.40-999 ?-999 ?-999 ? O1 PG5 G 166 mALA^G 32 91.28 32.22 21.08 91.75 32.83 20.44 90.57 31.92 23.44 91.62 31.94 24.12 90.59 31.33 22.03 91.27 29.96 22.05 2 0 24.49-999 ?-999 ?-999 ? O4 PG5 G 166 mALA^G 33 89.41 32.38 23.91 88.65 32.36 23.25 87.93 32.61 25.93 86.99 32.20 25.25 89.31 32.87 25.29 89.67 34.38 25.36 2 0 23.06-999 ?-999 ?-999 ? O4 PG5 G 166 mASN^G 34 87.83 32.83 27.24 88.69 33.08 27.68 85.60 33.90 27.66 84.41 33.91 28.06 86.55 32.72 27.95 86.80 32.54 29.45 2 0 24.47-999 ?-999 ?-999 ? O4 PG5 G 166 mTYR^G 35 86.15 34.90 26.97 87.15 34.89 26.96 85.56 35.81 24.80 86.64 35.42 24.34 85.33 35.90 26.30 85.57 37.32 26.84 3 0 23.17-999 ?-999 ?-999 ? O4 PG5 G 166 mVAL^G 36 84.53 36.19 24.07 83.78 36.60 24.59 84.36 37.37 21.96 83.89 38.32 22.57 84.48 36.01 22.63 83.31 35.10 22.24 3 0 24.52-999 ?-999 ?-999 ? O4 PG5 G 166 mPRO^G 37 84.79 37.47 20.71 85.18 36.63 20.31 83.22 39.26 19.80 83.03 40.45 19.58 84.65 38.75 20.02 85.36 38.51 18.69 3 0 23.69-999 ?-999 ?-999 ? O4 PG5 G 166 mPHE^G 38 82.23 38.37 19.84 82.53 37.43 20.03 79.92 37.61 20.07 80.32 36.43 20.09 80.84 38.73 19.62 80.55 39.08 18.14 3 0 26.78-999 ?-999 ?-999 ? O4 PG5 G 166 mTHR^G 39 78.69 38.01 20.42 78.61 39.01 20.45 76.36 37.62 19.96 76.25 38.80 19.61 77.58 37.12 20.72 77.23 37.07 22.25 2 0 29.82-999 ?-999 ?-999 ? O4 PG5 G 166 mILE^G 40 75.41 36.71 19.74 75.64 35.79 20.05 73.04 36.58 19.98 73.08 35.47 20.50 74.16 37.05 19.08 74.04 36.37 17.73 3 0 33.20-999 ?-999 ?-999 ? O4 PG5 G 166 mSER^G 41 72.07 37.45 20.17 72.25 38.36 19.79 69.68 37.67 20.03 69.55 38.86 19.82 70.85 37.13 20.85 70.87 37.68 22.27 2 0 35.52-999 ?-999 ?-999 ? O4 PG5 G 166 mGLY^G 42 68.82 36.78 19.53 68.96 35.83 19.80 68.41 37.78 17.43 69.30 37.15 16.89 67.75 37.24 18.67-999.99-999.99-999.99 1 0 38.79-999 ?-999 ?-999 ? O4 PG5 G 166 mASN^G 43 68.03 38.98 17.02 67.30 39.40 17.56 69.61 40.70 16.30 69.89 41.59 15.52 68.65 39.59 15.86 67.60 40.12 14.88 2 0 38.10-999 ?-999 ?-999 ? O4 PG5 G 166 mLEU^G 44 70.09 40.63 17.54 69.73 39.85 18.06 72.43 40.97 18.21 72.59 39.93 18.85 71.07 41.61 18.07 70.62 42.20 19.42 3 0 34.58-999 ?-999 ?-999 ? O4 PG5 G 166 mLEU^G 45 73.40 41.62 17.60 73.08 42.44 17.14 75.54 42.14 18.51 75.52 43.34 18.29 74.80 41.19 17.58 75.36 41.33 16.17 3 0 31.60-999 ?-999 ?-999 ? O4 PG5 G 166 mTYR^G 46 76.16 41.58 19.55 76.01 40.59 19.60 78.43 42.13 20.22 78.90 41.00 20.34 76.97 42.35 20.52 76.74 41.85 21.94 3 0 28.27-999 ?-999 ?-999 ? O4 PG5 G 166 mVAL^G 47 79.14 43.19 19.86 78.65 44.06 19.88 81.35 43.60 20.65 81.08 44.70 21.15 80.53 43.07 19.47 80.85 43.87 18.18 3 0 25.32-999 ?-999 ?-999 ? O4 PG5 G 166 mSER^G 48 82.33 42.81 21.06 82.36 41.94 20.56 84.04 44.44 21.81 84.27 44.76 20.63 83.26 43.16 22.14 84.25 42.02 22.36 2 0 21.94-999 ?-999 ?-999 ? O4 PG5 G 166 mGLY^G 49 84.46 45.17 22.85 84.13 44.87 23.75 86.52 46.02 21.73 87.29 45.09 21.97 85.35 46.31 22.66-999.99-999.99-999.99 1 0 18.89-999 ?-999 ?-999 ? O4 PG5 G 166 mGLN^G 50 86.66 46.83 20.69 85.96 47.55 20.65 88.73 47.83 19.91 88.36 48.99 20.21 87.72 46.69 19.70 87.17 46.79 18.27 2 0 18.13-999 ?-999 ?-999 ? O1 PG5 G 166 mLEU^G 51 89.98 47.48 19.69 90.08 46.51 19.45 91.57 48.85 18.39 91.12 48.27 17.39 91.11 48.40 19.79 92.26 47.72 20.57 3 0 14.42-999 ?-999 ?-999 ? O1 PG5 G 166 mPRO^G 52 92.44 49.88 18.31 92.76 50.25 19.18 93.95 49.50 16.36 95.08 49.94 16.22 92.85 50.38 16.99 93.30 51.82 17.26 3 0 12.80-999 ?-999 ?-999 ? O1 PG5 G 166 mMETG 53 93.58 48.27 16.02 92.61 48.09 16.20 94.70 47.57 13.98 93.73 47.75 13.22 94.51 47.29 15.45 93.99 45.85 15.55 2 0 14.32-999 ?-999 ?-999 ? O1 PG5 G 166 mGLU^G 54 95.96 47.55 13.56 96.64 47.43 14.29 97.54 46.84 11.96 98.50 46.96 12.70 96.30 47.70 12.17 96.58 49.16 11.84 2 0 15.11-999 ?-999 ?-999 ? O1 PG5 G 166 mSER^G 55 97.47 45.95 10.96 96.63 46.02 10.41 98.93 44.19 11.94 100.11 43.91 12.16 98.53 44.98 10.69 99.75 45.67 10.06 2 0 17.24-999 ?-999 ?-999 ? O1 PG5 G 166 mGLY^G 56 97.95 43.83 12.76 97.04 44.15 12.49 98.79 43.74 15.15 99.13 43.08 16.14 98.21 43.03 13.94-999.99-999.99-999.99 1 0 16.89-999 ?-999 ?-999 ? O1 PG5 G 166 mLYS^G 57 98.90 45.07 15.11 98.55 45.48 14.26 98.54 46.99 16.61 97.81 47.46 15.76 99.47 45.83 16.23 100.83 46.38 15.81 2 0 13.13-999 ?-999 ?-999 ? O1 PG5 G 166 mILE^G 58 98.60 47.43 17.86 99.20 46.88 18.45 98.50 49.85 17.72 99.64 50.19 18.08 97.83 48.61 18.32 97.77 48.72 19.86 3 0 10.41-999 ?-999 ?-999 ? O1 PG5 G 166 mALA^G 59 97.79 50.49 16.80 96.84 50.19 16.73 98.52 52.89 16.68 99.39 53.68 16.31 98.36 51.55 15.97 97.53 51.72 14.73 2 0 9.35-999 ?-999 ?-999 ? O1 PG5 G 166 mVAL^G 60 97.66 53.18 17.66 97.05 52.43 17.89 97.49 54.25 19.84 96.52 53.65 20.30 97.64 54.49 18.34 96.49 55.37 17.82 3 0 6.72-999 ?-999 ?-999 ? O1 PG5 G 166 mTHR^G 61 98.48 54.72 20.59 99.16 55.25 20.08 98.78 55.75 22.79 99.29 56.73 22.28 98.57 54.47 22.00 99.72 53.50 22.34 2 0 -4.60-999 ?-999 ?-999 ? O1 PG5 G 166s mGLY^G 62 98.39 55.73 24.05 97.96 54.87 24.34 97.33 57.69 25.10 96.25 57.42 24.50 98.59 56.87 24.91-999.99-999.99-999.99 1 0 4.26-999 ?-999 ?-999 ? C3 PG5 G 166 mLEU^G 63 97.46 58.71 25.95 98.39 58.85 26.30 96.08 60.65 25.32 97.00 61.39 24.95 96.31 59.53 26.33 96.49 60.16 27.71 3 0 7.15-999 ?-999 ?-999 ? O2 PG5 G 166 mVAL^G 64 94.86 60.80 24.87 94.23 60.07 25.15 94.58 63.26 24.90 94.07 63.32 26.04 94.50 61.97 24.05 93.12 61.80 23.40 3 0 9.40-999 ?-999 ?-999 ? O1 PG5 G 166 mGLY^G 65 95.25 64.28 24.36 95.50 64.13 23.40 96.94 65.48 25.75 97.37 66.50 26.31 95.57 65.51 25.08-999.99-999.99-999.99 1 0 8.39-999 ?-999 ?-999 ? C5 PG5 I 166 mARG^G 66 97.66 64.35 25.63 97.17 63.62 25.16 99.95 63.58 25.14 100.90 64.19 24.69 99.03 64.22 26.18 99.06 63.41 27.49 2 0 -4.89-999 ?-999 ?-999 ? C5 PG5 I 166s mASP^G 67 99.64 62.35 24.75 98.77 62.02 25.12 100.00 61.67 22.42 100.79 61.46 21.49 100.46 61.56 23.86 100.43 60.12 24.29 2 0 -4.81-999 ?-999 ?-999 ? C1 PG5 G 166s mVAL^G 68 98.70 61.93 22.23 98.17 62.10 23.07 97.12 63.08 20.78 96.44 63.42 21.76 98.12 61.96 20.90 97.46 60.64 20.53 3 0 5.99-999 ?-999 ?-999 ? C1 PG5 G 166 mASP^G 69 97.02 63.65 19.58 97.62 63.24 18.89 94.78 64.22 18.76 94.60 63.00 18.59 96.11 64.75 19.32 96.76 65.80 18.36 2 0 9.58-999 ?-999 ?-999 ? C1 PG5 G 166 mVAL^G 70 93.83 65.12 18.52 94.10 66.07 18.68 92.60 63.95 16.69 91.96 62.92 16.49 92.52 64.71 18.04 91.52 65.89 17.95 3 0 12.57-999 ?-999 ?-999 ? C1 PG5 G 166 mALA^G 71 93.39 64.46 15.76 93.91 65.27 16.04 93.98 62.39 14.53 93.42 61.47 13.94 93.46 63.83 14.43 94.33 64.66 13.49 2 0 12.88-999 ?-999 ?-999 ? C1 PG5 G 166 mSER^G 72 95.03 62.18 15.32 95.42 63.00 15.74 94.53 59.92 16.21 94.43 58.73 15.89 95.55 60.85 15.54 96.80 60.89 16.39 2 0 9.61-999 ?-999 ?-999 ? C1 PG5 G 166 mALA^G 73 93.82 60.47 17.19 94.03 61.44 17.35 91.61 59.40 17.02 91.01 58.34 17.14 92.82 59.71 17.94 92.38 60.46 19.16 2 0 10.54-999 ?-999 ?-999 ? C1 PG5 G 166 mGLN^G 74 91.26 60.35 16.15 91.74 61.22 16.26 90.61 58.87 14.23 89.76 58.02 13.93 90.24 60.08 15.12 90.00 61.31 14.26 2 0 14.05-999 ?-999 ?-999 ? C1 PG5 G 166 mARG^G 75 91.88 58.79 13.84 92.42 59.60 14.05 92.31 56.33 14.01 91.92 55.26 13.50 92.41 57.61 13.16 93.86 57.84 12.74 2 0 13.14-999 ?-999 ?-999 ? C1 PG5 G 166 mALA^G 76 92.60 56.42 15.29 92.96 57.31 15.58 90.93 54.84 16.14 90.64 53.65 16.06 92.39 55.28 16.18 92.82 55.62 17.63 2 0 11.83-999 ?-999 ?-999 ? C1 PG5 G 166 mALA^G 77 90.00 55.80 16.20 90.35 56.73 16.21 88.17 54.77 14.91 87.38 53.83 14.90 88.59 55.45 16.24 87.74 56.65 16.54 2 0 15.14-999 ?-999 ?-999 ? O1 PG5 G 166 mGLU^G 78 88.72 55.25 13.81 89.30 56.05 13.98 88.94 53.19 12.53 88.23 52.28 12.09 88.49 54.64 12.48 89.26 55.42 11.40 2 0 17.07-999 ?-999 ?-999 ? C1 PG5 G 166 mLEU^G 79 90.12 52.95 13.11 90.59 53.76 13.46 89.77 50.69 14.07 89.56 49.50 13.76 90.64 51.59 13.20 92.11 51.58 13.68 3 0 15.84-999 ?-999 ?-999 ? O1 PG5 G 166 mCYH^G 80 89.29 51.24 15.19 89.60 52.17 15.37 87.14 50.12 15.24 86.69 48.98 15.32 88.39 50.49 16.05 87.99 51.33 17.28 2 0 16.67-999 ?-999 ?-999 ? O1 PG5 G 166 mALA^G 81 86.63 51.07 14.46 87.12 51.94 14.51 85.72 49.79 12.56 84.86 48.95 12.31 85.44 50.86 13.62 85.03 52.18 12.94 2 0 20.02-999 ?-999 ?-999 ? O1 PG5 G 166 mVAL^G 82 86.91 49.80 11.98 87.50 50.54 12.29 87.31 47.38 11.59 86.78 46.42 11.02 87.29 48.79 10.96 88.64 49.16 10.30 3 0 20.62-999 ?-999 ?-999 ? O1 PG5 G 166 mASN^G 83 87.84 47.29 12.81 88.23 48.14 13.16 86.45 45.57 13.97 86.18 44.35 13.90 87.85 46.05 13.56 88.82 46.15 14.75 2 0 20.23-999 ?-999 ?-999 ? O1 PG5 G 166 mILE^G 84 85.55 46.49 14.35 85.93 47.41 14.47 83.55 45.55 13.29 82.93 44.48 13.32 84.14 46.17 14.57 83.31 47.42 15.01 3 0 22.61-999 ?-999 ?-999 ? O1 PG5 G 166 mLEU^G 85 83.79 46.19 12.16 84.36 47.01 12.27 83.75 44.26 10.53 83.00 43.43 10.01 83.23 45.68 10.89 83.46 46.68 9.76 3 0 25.05-999 ?-999 ?-999 ? O1 PG5 G 166 mALA^G 86 85.03 43.99 10.80 85.54 44.78 11.15 84.95 41.63 11.47 84.70 40.50 11.03 85.62 42.66 10.61 87.15 42.68 10.88 2 0 25.02-999 ?-999 ?-999 ? O1 PG5 G 166 mGLN^G 87 84.64 42.00 12.72 84.93 42.92 12.99 82.51 40.82 13.10 82.07 39.68 13.08 83.93 41.09 13.60 83.88 41.63 15.03 2 0 25.91-999 ?-999 ?-999 ? O1 PG5 G 166 mVAL^G 88 81.83 41.88 12.69 82.32 42.74 12.78 80.44 40.88 10.89 79.57 40.02 10.75 80.46 41.76 12.15 79.83 43.15 11.87 3 0 28.60-999 ?-999 ?-999 ? O1 PG5 G 166 mLYS^G 89 81.40 41.10 10.02 82.02 41.84 10.27 81.63 38.79 9.15 80.89 37.96 8.62 81.51 40.27 8.79 82.69 40.74 7.95 2 0 30.01-999 ?-999 ?-999 ? O1 PG5 G 166 mALA^G 90 82.55 38.46 10.09 83.11 39.23 10.38 81.37 36.53 11.18 80.94 35.42 10.85 82.69 37.09 10.62 83.77 37.05 11.70 2 0 30.40-999 ?-999 ?-999 ? O1 PG5 G 166 mALA^G 91 80.73 37.31 12.05 81.21 38.16 12.27 78.39 36.65 11.56 77.52 35.81 11.76 79.45 36.95 12.64 78.94 38.08 13.54 2 0 31.88-999 ?-999 ?-999 ? O4 PG5 G 166 mLEU^G 92 78.47 37.36 10.43 79.27 37.96 10.39 77.95 36.38 8.21 77.42 36.49 7.10 77.47 37.25 9.37 77.12 38.65 8.85 3 0 34.36-999 ?-999 ?-999 ? O1 PG5 G 166 mASN^G 93 78.96 35.56 8.47 79.33 35.65 9.39 79.87 35.25 6.16 79.66 34.68 5.09 79.49 34.61 7.49 78.48 33.48 7.30 2 0 35.33-999 ?-999 ?-999 ? O1 PG5 G 166 mGLY^G 94 80.42 36.44 6.24 80.43 36.84 7.16 80.14 38.22 4.50 80.62 38.90 3.60 80.97 37.11 5.09-999.99-999.99-999.99 1 0 33.97-999 ?-999 ?-999 ? O1 PG5 G 166 mASP^G 95 78.92 38.44 4.99 78.66 37.84 5.74 77.68 40.69 5.33 76.73 40.60 6.12 78.06 39.51 4.42 76.79 38.90 3.83 2 0 34.93-999 ?-999 ?-999 ? O1 PG5 G 166 mLEU^G 96 78.41 41.80 5.16 79.20 41.68 4.55 76.71 43.64 5.35 76.13 44.49 6.03 78.07 43.06 5.82 79.21 44.08 5.67 3 0 32.55-999 ?-999 ?-999 ? O1 PG5 G 166 mSER^G 97 76.18 43.17 4.22 76.78 42.53 3.74 73.71 43.03 4.64 72.57 43.53 4.56 74.85 43.56 3.76 74.65 43.10 2.32 2 0 35.84-999 ?-999 ?-999 ? O1 PG5 G 166 mLYS^G 98 73.99 42.01 5.46 74.91 41.64 5.35 72.98 42.37 7.74 72.25 42.06 8.65 73.03 41.51 6.44 73.31 40.03 6.73 2 0 36.82-999 ?-999 ?-999 ? O1 PG5 G 166 mILE^G 99 73.75 43.44 7.79 74.48 43.45 7.11 72.22 45.25 8.48 72.11 45.88 7.42 73.52 44.50 8.80 74.67 45.57 8.85 3 0 34.25-999 ?-999 ?-999 ? O1 PG5 G 166 mARG^G 100 71.26 45.22 9.39 71.46 44.61 10.16 70.22 47.42 9.78 69.86 48.39 9.12 70.02 46.00 9.25 68.87 45.31 9.98 2 0 36.60-999 ?-999 ?-999 ? O1 PG5 G 166 mARG^G 101 70.84 47.53 10.95 71.08 46.67 11.38 72.22 48.69 12.61 72.18 47.74 13.40 71.13 48.83 11.54 69.85 49.35 12.20 2 0 34.05-999 ?-999 ?-999 ? O1 PG5 G 166 mVAL^G 102 73.17 49.63 12.63 73.22 50.19 11.81 73.25 50.54 14.85 72.88 51.71 14.67 74.05 49.78 13.80 75.38 50.49 13.44 3 0 30.45-999 ?-999 ?-999 ? O1 PG5 G 166 mILE^G 103 72.95 49.86 15.94 73.37 48.95 15.97 72.83 51.32 17.91 72.34 52.41 18.22 72.08 50.38 16.98 71.44 49.22 17.78 3 0 29.99-999 ?-999 ?-999 ? O4 PG5 E 166 mLYS^G 104 74.04 50.92 18.30 74.38 50.09 17.87 76.25 51.47 19.17 76.65 50.34 18.99 74.76 51.72 19.29 74.27 51.30 20.68 2 0 26.66-999 ?-999 ?-999 ? O4 PG5 E 166 mLEU^G 105 77.04 52.53 19.28 76.56 53.40 19.16 78.78 53.03 20.90 78.24 54.09 21.23 78.50 52.42 19.55 79.33 53.16 18.48 3 0 24.25-999 ?-999 ?-999 ? O4 PG5 E 166 mASN^G 106 79.64 52.40 21.69 79.89 51.48 21.38 81.62 53.33 22.65 82.43 52.40 22.51 80.17 53.03 22.89 80.03 52.14 24.13 2 0 21.91-999 ?-999 ?-999 ? O4 PG5 E 166 mGLY^G 107 81.96 54.62 22.65 81.23 55.24 22.92 84.08 55.41 23.54 83.70 56.33 24.21 83.31 55.05 22.30-999.99-999.99-999.99 1 0 19.15-999 ?-999 ?-999 ? O1 PG5 G 166 mPHE^G 108 85.11 54.66 23.87 85.28 53.90 23.25 87.23 55.56 24.59 87.95 54.94 23.81 85.92 54.92 25.05 86.18 53.62 25.76 3 0 16.68-999 ?-999 ?-999 ? C4 PG5 G 166 mVAL^G 109 87.53 56.76 25.09 86.87 57.08 25.77 89.65 57.78 25.87 89.28 58.48 26.80 88.71 57.53 24.68 88.31 58.89 24.10 3 0 13.84-999 ?-999 ?-999 ? O1 PG5 G 166 mALA^G 110 90.85 57.21 25.82 91.02 56.66 25.01 92.21 58.89 26.89 92.67 59.40 25.86 91.81 57.41 26.91 93.04 56.47 26.75 2 0 10.77-999 ?-999 ?-999 ? C4 PG5 G 166 mSER^G 111 91.97 59.57 28.00 91.83 58.98 28.80 92.63 61.59 29.27 92.46 61.07 30.36 91.93 61.04 28.05 90.47 61.56 28.06 2 0 11.40-999 ?-999 ?-999 ? C7 PG5 E 166 mVAL^G 112 93.38 62.67 29.09 93.64 62.88 28.15 92.53 64.26 30.67 91.61 64.46 29.87 93.77 63.47 30.25 95.00 64.41 30.02 3 0 9.55-999 ?-999 ?-999 ? C7 PG5 E 166 mPRO^G 113 92.44 64.65 31.94 93.25 64.46 32.50 90.87 66.69 31.78 89.71 67.13 31.85 91.20 65.32 32.40 91.43 65.49 33.89 3 0 7.11-999 ?-999 ?-999 ? C7 PG5 E 166 mGLU^G 114 91.85 67.35 31.14 92.74 66.91 31.23 91.14 68.33 28.96 90.71 69.27 28.27 91.62 68.58 30.39 92.89 69.43 30.35 2 0 -4.08-999 ?-999 ?-999 ? C7 PG5 E 166s mPHE^G 115 91.18 67.08 28.51 91.53 66.41 29.17 89.25 66.52 27.17 88.77 65.64 27.90 90.75 66.78 27.15 91.47 65.60 26.54 3 0 6.20-999 ?-999 ?-999 ? O4 PG5 E 166 mVAL^G 116 88.53 67.26 26.33 89.08 67.79 25.68 86.43 67.25 24.98 85.30 67.72 24.76 87.06 67.28 26.39 86.54 68.52 27.19 3 0 5.90-999 ?-999 ?-999 ? O4 PG5 E 166 mGLU^G 117 87.14 66.68 24.02 88.05 66.38 24.31 86.52 65.04 22.28 86.80 64.63 21.10 86.63 66.52 22.68 87.48 67.34 21.70 2 0 8.88-999 ?-999 ?-999 ? O4 PG5 E 166 mGLN^G 118 86.08 64.22 23.24 85.91 64.64 24.13 84.82 62.60 21.86 84.91 61.66 21.10 85.87 62.81 22.97 85.50 61.99 24.20 2 0 11.62-999 ?-999 ?-999 ? O4 PG5 E 166 mHIS^G 119 83.86 63.51 21.75 83.87 64.20 22.46 83.56 63.55 19.26 83.26 62.79 18.32 82.87 63.43 20.64 81.77 64.49 20.82 3 0 13.54-999 ?-999 ?-999 ? O4 PG5 E 166 mLEU^G 120 84.53 64.43 19.16 84.68 64.96 19.99 86.11 63.36 17.58 86.22 62.98 16.41 85.29 64.59 17.91 86.21 65.82 17.99 3 0 14.02-999 ?-999 ?-999 ? O4 PG5 E 166 mVAL^G 121 86.71 62.76 18.61 86.60 63.21 19.49 86.57 60.40 17.85 86.89 59.77 16.86 87.48 61.53 18.41 88.18 61.09 19.73 3 0 15.23-999 ?-999 ?-999 ? O4 PG5 E 166 mILE^G 122 85.43 60.18 18.50 85.25 60.82 19.25 83.86 59.39 16.78 83.48 58.45 16.10 84.54 59.09 18.12 83.52 58.74 19.23 3 0 17.66-999 ?-999 ?-999 ? O4 PG5 E 166 mASN^G 123 83.78 60.66 16.38 84.05 61.33 17.07 84.12 60.26 13.95 83.57 59.94 12.90 83.31 60.98 15.02 83.32 62.49 14.74 2 0 18.85-999 ?-999 ?-999 ? O4 PG5 E 166 mGLY^G 124 85.40 59.98 14.20 85.76 60.37 15.04 85.53 57.80 12.96 85.41 57.40 11.79 86.19 59.14 13.26-999.99-999.99-999.99 1 0 18.39-999 ?-999 ?-999 ? C1 PG5 G 166 mALA^G 125 85.07 57.11 14.00 85.27 57.53 14.89 82.97 56.12 13.24 82.57 55.44 12.30 84.36 55.85 13.85 84.18 55.15 15.22 2 0 19.90-999 ?-999 ?-999 ? C1 PG5 G 166 mSER^G 126 82.24 57.07 13.79 82.72 57.62 14.48 80.76 57.67 11.89 79.87 57.19 11.15 80.83 57.27 13.38 80.13 58.31 14.24 2 0 23.11-999 ?-999 ?-999 ? O4 PG5 E 166 mASN^G 127 81.66 58.55 11.46 82.30 58.88 12.16 82.04 57.81 9.12 81.43 57.63 8.06 81.69 58.97 10.06 82.68 60.11 9.88 2 0 23.84-999 ?-999 ?-999 ? C1 PG5 G 166 mLEU^G 128 83.01 57.00 9.52 83.42 57.22 10.41 82.26 54.85 8.57 81.97 54.35 7.48 83.42 55.87 8.69 84.67 55.24 9.29 3 0 23.14-999 ?-999 ?-999 ? C1 PG5 G 166 mILE^G 129 81.58 54.59 9.68 81.87 55.11 10.48 79.32 54.10 8.84 78.78 53.33 8.05 80.51 53.60 9.68 80.05 53.23 11.12 3 0 25.43-999 ?-999 ?-999 ? C1 PG5 G 166 mALA^G 130 78.97 55.36 9.00 79.52 55.88 9.65 78.19 55.96 6.77 77.32 55.72 5.94 77.86 55.93 8.26 77.53 57.31 8.76 2 0 28.13-999 ?-999 ?-999 ? C1 PG5 G 166 mTHR^G 131 79.45 56.25 6.44 80.05 56.39 7.22 79.83 54.97 4.34 79.35 54.87 3.18 79.86 56.34 5.03 81.25 57.01 4.89 2 0 28.10-999 ?-999 ?-999 ? C1 PG5 G 166 mVAL^G 132 80.29 53.91 5.00 80.53 54.07 5.96 79.04 51.89 4.27 78.78 51.16 3.32 80.39 52.63 4.31 81.55 51.75 4.84 3 0 28.58-999 ?-999 ?-999 ? C1 PG5 G 166 mLEU^G 133 78.18 52.09 5.27 78.50 52.76 5.94 75.72 52.26 4.93 74.62 51.74 4.72 76.90 51.40 5.38 76.66 50.92 6.83 3 0 31.04-999 ?-999 ?-999 ? C1 PG5 G 166 mGLY^G 134 75.91 53.57 4.81 76.86 53.85 4.92 73.86 54.68 5.69 74.27 54.61 6.85 74.81 54.49 4.53-999.99-999.99-999.99 1 0 32.74-999 ?-999 ?-999 ? C1 PG5 G 166 mGLU^G 135 72.58 54.91 5.39 72.36 54.84 4.42 71.57 54.21 7.59 71.50 54.60 8.76 71.60 55.23 6.45 70.19 55.40 5.86 2 0 33.10-999 ?-999 ?-999 ? O4 PG5 E 166 mPRO^G 136 71.64 52.91 7.27 71.67 52.72 6.29 72.85 51.94 9.26 72.79 51.37 10.33 71.66 51.88 8.32 71.76 50.59 7.54 3 0 33.72-999 ?-999 ?-999 ? O4 PG5 E 166 mGLY^G 137 73.92 52.58 8.82 73.87 52.88 7.87 74.90 53.90 10.71 75.75 54.00 11.62 75.07 52.83 9.66-999.99-999.99-999.99 1 0 30.39-999 ?-999 ?-999 ? O1 PG5 G 166 mARG^G 138 73.86 54.72 10.61 73.27 54.54 9.82 73.13 55.17 12.90 72.24 54.32 12.91 73.61 55.79 11.60 72.64 56.81 11.03 2 0 28.36-999 ?-999 ?-999 ? O4 PG5 E 166 mHIS^G 139 73.75 55.57 14.00 74.24 56.44 13.89 73.57 55.74 16.41 73.98 56.90 16.29 73.70 54.78 15.25 75.02 53.98 15.38 3 0 26.86-999 ?-999 ?-999 ? O4 PG5 E 166 mALA^G 140 72.99 55.26 17.50 72.49 54.41 17.36 74.53 55.75 19.32 75.27 54.90 18.85 73.09 55.93 18.80 72.08 55.39 19.80 2 0 24.79-999 ?-999 ?-999 ? O4 PG5 E 166 mARG^G 141 74.92 56.56 20.30 74.20 57.13 20.70 76.49 57.07 22.14 75.70 57.89 22.61 76.31 56.56 20.72 77.05 57.51 19.80 2 0 21.65-999 ?-999 ?-999 ? O4 PG5 E 166 mALA^G 142 77.57 56.64 22.78 77.98 55.81 22.40 79.60 57.61 23.65 80.23 56.78 22.99 78.11 57.36 23.94 77.93 56.56 25.20 2 0 18.95-999 ?-999 ?-999 ? O4 PG5 E 166 mALA^G 143 80.13 58.74 24.10 79.47 59.33 24.57 82.01 59.61 25.28 81.45 60.60 25.80 81.56 59.07 23.92 81.78 60.09 22.80 2 0 15.83-999 ?-999 ?-999 ? O4 PG5 E 166 mVAL^G 144 83.01 58.95 25.85 83.45 58.27 25.27 84.93 59.09 27.36 85.61 58.42 26.55 83.42 59.19 27.22 82.69 58.22 28.17 3 0 14.18-999 ?-999 ?-999 ? O4 PG5 E 166 mGLY^G 145 85.46 59.80 28.35 84.79 60.32 28.89 87.32 58.88 29.73 86.82 58.99 30.87 86.92 59.80 28.60-999.99-999.99-999.99 1 0 12.40-999 ?-999 ?-999 ? C7 PG5 E 166 mMETG 146 88.23 57.99 29.42 88.55 58.07 28.47 90.12 57.39 30.86 90.85 58.14 30.21 88.73 57.00 30.34 88.93 55.65 29.66 2 0 13.79-999 ?-999 ?-999 ? O3 PG5 G 166 mALA^G 147 90.49 56.81 32.00 89.78 56.23 32.40 92.86 56.32 31.75 93.98 56.82 31.65 91.79 57.01 32.60 91.82 56.42 34.02 2 0 11.25-999 ?-999 ?-999 ? O3 PG5 G 166 mSER^G 148 92.51 55.18 31.17 91.55 54.94 31.32 92.69 53.15 29.82 91.57 52.91 30.22 93.46 54.35 30.38 94.65 53.90 31.21 2 0 8.69-999 ?-999 ?-999 ? C7 PG5 G 166 mLEU^G 149 93.33 52.42 28.91 94.27 52.71 28.74 93.71 50.16 28.03 94.93 50.37 28.11 92.71 51.31 28.21 92.17 51.76 26.86 3 0 9.48-999 ?-999 ?-999 ? O4 PG5 G 166 mPRO^G 150 93.19 48.95 27.84 92.19 48.91 27.89 95.10 48.05 26.52 94.82 48.65 25.47 94.06 47.78 27.60 93.09 46.69 27.17 3 0 9.10-999 ?-999 ?-999 ? O4 PG5 G 166 mPHE^G 151 96.32 47.61 26.81 96.37 47.20 27.72 97.85 49.19 25.53 98.53 49.44 24.54 97.48 47.74 25.87 97.23 46.94 24.58 3 0 7.10-999 ?-999 ?-999 ? O4 PG5 G 166 mASN^G 152 97.36 50.12 26.36 96.83 49.72 27.11 96.86 52.08 24.98 97.26 53.08 24.40 97.55 51.55 26.23 99.05 51.88 26.25 2 0 -5.70-999 ?-999 ?-999 ? O4 PG5 G 166s mALA^G 153 95.82 51.38 24.51 95.62 50.55 25.02 94.54 53.27 23.66 94.13 53.56 24.80 95.08 51.87 23.34 93.94 50.92 23.00 2 0 8.99-999 ?-999 ?-999 ? O1 PG5 G 166 mSER^G 154 94.50 54.13 22.64 94.87 53.77 21.79 92.43 55.51 22.77 91.80 56.40 23.34 93.96 55.49 22.80 94.54 56.42 21.74 2 0 8.54-999 ?-999 ?-999 ? O1 PG5 G 166 mVAL^G 155 91.86 54.51 22.12 92.52 53.83 21.79 90.04 52.90 21.89 90.80 52.04 21.41 90.42 54.40 21.88 89.96 55.05 20.55 3 0 12.23-999 ?-999 ?-999 ? O1 PG5 G 166 mGLU^G 156 88.87 52.62 22.44 88.47 53.40 22.91 86.75 51.56 22.10 86.14 52.49 22.69 88.23 51.29 22.38 88.39 50.55 23.70 2 0 15.25-999 ?-999 ?-999 ? O1 PG5 G 166 mILE^G 157 86.18 50.80 21.19 86.79 50.11 20.79 84.10 49.59 20.75 84.63 48.64 20.12 84.79 50.97 20.81 84.64 51.65 19.40 3 0 18.65-999 ?-999 ?-999 ? O1 PG5 G 166 mASP^G 158 82.92 49.48 21.36 82.66 50.28 21.90 80.83 48.71 20.50 80.63 49.90 20.20 82.10 48.29 21.23 81.86 47.60 22.59 2 0 21.94-999 ?-999 ?-999 ? O4 PG5 G 166 mALA^G 159 79.99 47.72 20.21 80.22 46.85 20.63 77.74 46.92 19.57 77.99 45.80 19.98 78.82 47.94 19.35 79.23 47.90 17.89 2 0 25.41-999 ?-999 ?-999 ? O1 PG5 G 166 mILE^G 160 76.53 47.35 19.28 76.52 48.34 19.14 74.76 46.78 17.77 74.56 47.94 17.36 75.33 46.53 19.16 74.28 46.89 20.21 3 0 29.18-999 ?-999 ?-999 ? O1 PG5 G 166 mVAL^G 161 74.54 45.70 17.03 74.68 44.84 17.53 72.90 44.87 15.46 72.88 43.74 15.94 74.14 45.77 15.63 75.30 45.30 14.71 3 0 31.12-999 ?-999 ?-999 ? O1 PG5 G 166 mGLU^G 162 71.86 45.40 14.82 71.95 46.37 14.62 71.03 43.91 13.12 71.43 44.60 12.19 70.69 44.58 14.45 69.43 45.44 14.31 2 0 34.94-999 ?-999 ?-999 ? O1 PG5 G 166 mILE^G 163 70.81 42.60 13.03 70.34 42.21 13.83 70.04 41.01 11.26 69.08 40.73 11.98 71.22 41.79 11.87 72.40 40.84 12.20 3 0 36.23-999 ?-999 ?-999 ? O1 PG5 G 166 mGLU^H 3 175.85 49.64 130.30 176.54 49.58 131.03 174.55 48.36 128.61 173.53 48.17 127.95 174.84 49.74 129.21 175.27 50.73 128.12 2 0 48.07-999 ?-999 ?-999 ? C2 PG5 H 166 mASN^H 4 175.42 47.40 128.88 176.15 47.68 129.49 174.14 45.23 128.96 173.41 44.49 128.29 175.29 46.04 128.34 176.62 45.31 128.54 2 0 46.07-999 ?-999 ?-999 ? C2 PG5 H 166 mLEU^H 5 173.97 45.39 130.27 174.67 45.95 130.70 171.54 45.48 130.60 170.48 44.85 130.58 172.85 44.79 130.98 173.09 44.90 132.49 3 0 45.58-999 ?-999 ?-999 ? O1 PG5 H 166 mTYR^H 6 171.63 46.76 130.29 172.55 47.14 130.38 169.87 47.00 128.59 168.66 46.72 128.56 170.50 47.56 129.88 170.94 49.02 129.70 3 0 44.75-999 ?-999 ?-999 ? O1 PG5 H 166 mPHE^H 7 170.69 46.84 127.55 171.64 47.10 127.72 169.69 44.89 126.41 168.71 44.53 125.78 170.20 46.31 126.27 171.27 46.39 125.17 3 0 41.71-999 ?-999 ?-999 ? C2 PG5 H 166 mGLN^H 8 170.33 44.10 127.25 171.16 44.50 127.64 168.46 42.80 128.20 167.62 41.96 127.91 169.85 42.75 127.56 170.82 42.03 128.51 2 0 40.60-999 ?-999 ?-999 ? O1 PG5 H 166 mGLY^H 9 168.26 43.78 129.09 169.06 44.35 129.27 165.91 44.42 128.73 164.79 43.92 128.76 166.98 43.98 129.73-999.99-999.99-999.99 1 0 40.87-999 ?-999 ?-999 ? O1 PG5 H 166 mMETH 10 166.26 45.39 127.89 167.18 45.76 128.03 164.89 44.69 125.96 163.72 44.61 125.61 165.34 45.86 126.85 165.97 46.96 125.98 2 0 38.99-999 ?-999 ?-999 ? O1 PG5 H 166 mSER^H 11 165.81 43.79 125.62 166.72 43.99 125.98 164.54 41.66 125.48 163.62 41.13 124.88 165.47 42.61 124.77 166.71 41.83 124.37 2 0 36.06-999 ?-999 ?-999 ? O1 PG5 H 166 mASP^H 12 164.81 41.43 126.77 165.63 41.88 127.12 162.56 41.10 127.60 161.60 40.31 127.60 163.97 40.57 127.58 164.45 40.54 129.05 2 0 36.16-999 ?-999 ?-999 ? O1 PG5 H 166 mVAL^H 13 162.43 42.42 127.71 163.29 42.92 127.78 160.40 42.88 126.38 159.25 42.53 126.35 161.13 43.08 127.72 161.27 44.59 127.98 3 0 35.95-999 ?-999 ?-999 ? C1 PG5 H 166 mILE^H 14 161.10 43.13 125.30 162.04 43.44 125.50 160.02 41.50 123.77 158.86 41.28 123.40 160.52 42.96 123.95 161.54 43.31 122.85 3 0 32.96-999 ?-999 ?-999 ? C1 PG5 H 166 mGLU^H 15 160.86 40.53 124.07 161.77 40.85 124.35 159.36 38.70 124.95 158.49 37.87 124.63 160.45 39.12 123.98 161.65 38.21 124.14 2 0 31.04-999 ?-999 ?-999 ? O1 PG5 H 166 mGLY^H 16 159.39 39.25 126.16 160.19 39.81 126.37 156.98 39.53 126.60 155.97 38.87 126.74 158.31 39.02 127.09-999.99-999.99-999.99 1 0 32.27-999 ?-999 ?-999 ? C1 PG5 H 166 mARG^H 17 156.98 40.73 126.03 157.87 41.18 126.00 155.19 40.37 124.38 153.98 40.16 124.30 155.75 41.30 125.48 156.03 42.69 124.91 2 0 30.93-999 ?-999 ?-999 ? C1 PG5 H 166 mLEU^H 18 156.09 39.80 123.58 157.03 40.08 123.78 155.09 37.60 123.09 154.07 37.15 122.61 155.73 38.85 122.50 156.95 38.46 121.66 3 0 27.47-999 ?-999 ?-999 ? C1 PG5 H 166 mLYS^H 19 155.70 37.03 124.13 156.58 37.45 124.36 153.73 36.22 125.46 152.83 35.38 125.43 155.10 35.90 124.87 156.01 35.42 125.97 2 0 27.81-999 ?-999 ?-999 ? C1 PG5 H 166 mGLU^H 20 153.54 37.44 125.97 154.37 38.01 126.01 151.20 37.88 125.28 150.01 37.74 125.55 152.23 37.89 126.41 152.27 39.28 127.02 2 0 28.79-999 ?-999 ?-999 ? C1 PG5 H 166 mLEU^H 21 151.63 38.09 124.03 152.61 38.30 123.96 150.45 36.53 122.46 149.59 36.28 121.60 150.71 37.99 122.88 151.22 38.80 121.68 3 0 25.41-999 ?-999 ?-999 ? C1 PG5 H 166 mGLY^H 22 151.20 35.58 123.03 151.89 35.92 123.66 152.02 33.53 121.82 151.84 32.38 121.40 151.00 34.17 122.74-999.99-999.99-999.99 1 0 23.78-999 ?-999 ?-999 ? C1 PG5 H 166 mPHE^H 23 153.12 34.24 121.53 153.16 35.13 121.99 155.54 33.67 121.28 155.96 34.55 122.05 154.16 33.76 120.63 154.29 34.67 119.40 3 0 23.13-999 ?-999 ?-999 ? O1 PG5 H 166 mTHR^H 24 156.26 32.61 120.91 155.75 31.92 120.41 158.43 32.60 119.91 157.90 32.19 118.85 157.67 32.49 121.22 157.97 31.14 121.89 2 0 24.91-999 ?-999 ?-999 ? O1 PG5 H 166 mLEU^H 25 159.64 33.16 119.95 159.92 33.49 120.85 160.95 31.89 118.31 161.40 31.09 119.14 160.44 33.26 118.74 161.62 34.24 118.92 3 0 25.02-999 ?-999 ?-999 ? O1 PG5 H 166 mPRO^H 26 160.85 31.57 117.01 160.36 32.22 116.43 162.96 30.51 116.34 163.47 31.63 116.44 161.46 30.34 116.53 160.75 30.12 115.19 3 0 23.45-999 ?-999 ?-999 ? O1 PG5 H 166 mVAL^H 27 163.67 29.42 116.06 163.19 28.56 116.24 165.00 30.16 114.12 165.81 31.05 113.77 165.03 29.52 115.53 165.71 28.14 115.42 3 0 25.42-999 ?-999 ?-999 ? C2 PG5 H 166 mALA^H 33 171.78 28.79 101.50 172.05 28.64 102.45 172.06 30.27 99.50 172.78 31.01 100.18 171.38 29.02 100.11 169.82 29.15 100.02 2 0 23.06-999 ?-999 ?-999 ? O4 PG5 H 166 mASN^H 34 171.81 30.50 98.21 171.22 29.82 97.78 171.62 32.96 97.84 172.08 34.07 97.52 172.36 31.66 97.50 172.41 31.38 96.00 2 0 24.39-999 ?-999 ?-999 ? O4 PG5 H 166 mTYR^H 35 170.46 32.82 98.48 170.07 31.90 98.45 169.82 33.66 100.67 169.77 32.52 101.14 169.82 33.93 99.17 168.40 34.22 98.68 3 0 23.17-999 ?-999 ?-999 ? O4 PG5 H 166 mVAL^H 36 169.89 34.76 101.39 169.83 35.60 100.84 168.82 35.40 103.47 168.10 36.17 102.85 170.04 34.77 102.82 171.34 35.53 103.21 3 0 24.58-999 ?-999 ?-999 ? O4 PG5 H 166 mPRO^H 37 168.57 35.08 104.75 169.21 34.43 105.16 167.48 37.18 105.69 166.44 37.78 105.93 167.41 35.68 105.43 167.32 34.94 106.76 3 0 23.87-999 ?-999 ?-999 ? O4 PG5 H 166 mPHE^H 38 168.68 37.75 105.66 169.45 37.13 105.48 170.19 39.64 105.36 171.14 38.83 105.26 168.84 39.18 105.86 168.63 39.56 107.36 3 0 27.01-999 ?-999 ?-999 ? O4 PG5 H 166 mTHR^H 39 170.24 40.92 105.00 169.35 41.36 104.91 171.54 42.92 105.52 170.52 43.51 105.88 171.50 41.61 104.77 171.73 41.87 103.28 2 0 30.00-999 ?-999 ?-999 ? O4 PG5 H 166 mILE^H 40 172.74 43.43 105.73 173.50 42.85 105.42 173.72 45.62 105.46 174.77 45.18 104.96 172.90 44.73 106.36 173.61 44.60 107.74 3 0 33.45-999 ?-999 ?-999 ? O4 PG5 H 166 mSER^H 41 173.26 46.84 105.23 172.33 46.99 105.56 173.99 49.11 105.41 172.93 49.67 105.65 174.05 47.86 104.56 173.54 48.17 103.15 2 0 35.79-999 ?-999 ?-999 ? O4 PG5 H 166 mGLY^H 42 175.14 49.56 105.90 175.97 49.09 105.59 174.39 50.30 108.11 174.68 49.28 108.74 175.14 50.66 106.84-999.99-999.99-999.99 1 0 39.07-999 ?-999 ?-999 ? O4 PG5 H 166 mASN^H 43 173.41 51.11 108.48 173.31 51.92 107.91 171.20 50.35 109.21 170.26 50.47 109.99 172.58 50.80 109.63 172.44 51.97 110.59 2 0 38.46-999 ?-999 ?-999 ? C6 PG5 H 166 mLEU^H 44 171.09 49.84 107.99 171.93 49.89 107.45 169.92 47.75 107.38 170.86 47.23 106.76 169.81 49.27 107.52 169.35 49.92 106.22 3 0 34.89-999 ?-999 ?-999 ? C6 PG5 H 166 mLEU^H 45 168.95 47.07 107.97 168.29 47.66 108.43 167.63 45.30 107.04 166.54 45.78 107.29 168.82 45.62 107.96 168.52 45.12 109.36 3 0 31.94-999 ?-999 ?-999 ? O4 PG5 H 166 mTYR^H 46 167.91 44.57 105.97 168.88 44.35 105.89 166.60 42.67 105.32 167.50 41.86 105.27 166.90 44.11 105.00 167.44 44.19 103.56 3 0 28.64-999 ?-999 ?-999 ? O4 PG5 H 166 mVAL^H 47 165.35 42.37 105.68 164.72 43.14 105.65 164.17 40.46 104.86 163.29 41.15 104.30 164.94 41.03 106.06 164.05 41.00 107.32 3 0 25.67-999 ?-999 ?-999 ? O4 PG5 H 166 mSER^H 48 164.53 39.25 104.46 165.33 38.89 104.95 162.37 38.27 103.73 161.96 38.31 104.90 163.83 38.51 103.39 164.52 37.17 103.12 2 0 22.24-999 ?-999 ?-999 ? O4 PG5 H 166 mGLY^H 49 161.56 38.09 102.68 162.00 38.19 101.79 160.00 36.57 103.77 160.57 35.51 103.51 160.15 37.77 102.85-999.99-999.99-999.99 1 0 19.22-999 ?-999 ?-999 ? C6 PG5 H 166 mGLN^H 50 159.25 36.76 104.84 158.90 37.69 104.94 157.53 35.14 105.57 156.61 35.89 105.25 158.96 35.68 105.78 159.12 36.17 107.23 2 0 18.27-999 ?-999 ?-999 ? C2 PG5 H 166 mLEU^H 51 157.39 33.86 105.80 158.24 33.42 106.10 155.59 32.83 107.03 156.30 33.03 108.04 156.13 33.13 105.64 156.37 31.83 104.84 3 0 14.63-999 ?-999 ?-999 ? C2 PG5 H 166 mPRO^H 52 154.31 32.41 107.12 153.84 32.27 106.25 154.09 30.86 109.05 153.25 29.99 109.22 153.70 32.19 108.43 152.19 32.28 108.14 3 0 13.65-999 ?-999 ?-999 ? C2 PG5 H 166 mMETH 53 155.38 30.73 109.37 155.92 31.56 109.20 155.64 29.37 111.40 155.85 30.32 112.17 155.93 29.47 109.92 157.46 29.42 109.78 2 0 15.02-999 ?-999 ?-999 ? C2 PG5 H 166 mGLU^H 54 155.17 28.19 111.80 154.99 27.55 111.05 155.32 26.41 113.36 154.85 25.57 112.58 154.94 27.88 113.20 153.48 28.11 113.56 2 0 16.04-999 ?-999 ?-999 ? O1 PG5 H 166 mSER^H 55 156.19 26.10 114.33 156.48 26.88 114.88 157.25 24.11 113.28 156.97 22.94 112.97 156.68 24.72 114.55 155.55 23.82 115.06 2 0 17.94-999 ?-999 ?-999 ? O1 PG5 H 166 mGLY^H 56 157.99 24.91 112.51 158.10 25.84 112.88 157.63 24.18 110.09 158.08 23.68 109.06 158.57 24.45 111.26-999.99-999.99-999.99 1 0 17.34-999 ?-999 ?-999 ? O1 PG5 H 166 mLYS^H 57 156.35 24.52 110.21 156.12 24.90 111.11 154.68 25.64 108.75 154.51 26.52 109.58 155.38 24.34 109.12 154.33 23.32 109.50 2 0 13.51-999 ?-999 ?-999 ? O1 PG5 H 166 mILE^H 58 154.24 25.73 107.50 154.51 24.95 106.93 152.04 26.72 107.62 151.27 25.82 107.25 153.44 26.86 107.03 153.37 26.95 105.50 3 0 10.79-999 ?-999 ?-999 ? C2 PG5 H 166 mALA^H 59 151.72 27.62 108.53 152.35 28.40 108.55 149.27 27.90 108.78 148.23 27.40 109.19 150.58 27.50 109.41 150.81 28.32 110.66 2 0 10.36-999 ?-999 ?-999 ? O1 PG5 H 166 mVAL^H 60 149.30 28.78 107.78 150.22 29.07 107.49 148.37 29.31 105.66 149.31 29.97 105.21 148.09 29.28 107.17 147.70 30.68 107.65 3 0 8.03-999 ?-999 ?-999 ? O1 PG5 H 166 mTHR^H 61 147.54 28.59 104.92 146.81 28.15 105.43 146.41 28.77 102.75 145.27 28.66 103.27 147.69 28.46 103.50 148.14 27.04 103.12 2 0 5.12-999 ?-999 ?-999 ? C2 PG5 H 166 mGLY^H 62 146.59 29.12 101.48 147.55 29.20 101.22 145.14 30.85 100.46 145.80 31.74 101.07 145.48 29.37 100.58-999.99-999.99-999.99 1 0 4.16-999 ?-999 ?-999 ? C2 PG5 H 166 mLEU^H 63 144.12 31.11 99.67 143.62 30.30 99.35 142.80 33.07 100.29 141.81 32.46 100.69 143.77 32.46 99.30 143.14 32.53 97.90 3 0 7.14-999 ?-999 ?-999 ? C3 PG5 H 166 mVAL^H 64 143.13 34.28 100.71 144.04 34.58 100.42 141.00 35.48 100.69 141.13 35.93 99.54 142.21 35.08 101.54 142.87 36.29 102.21 3 0 9.35-999 ?-999 ?-999 ? C1 PG5 H 166 mGLY^H 65 139.82 35.25 101.26 139.88 34.97 102.21 138.05 34.12 99.86 136.93 34.12 99.24 138.54 35.39 100.54-999.99-999.99-999.99 1 0 8.23-999 ?-999 ?-999 ? O2 PG5 F 166 mARG^H 66 138.84 33.04 99.96 139.70 33.21 100.43 138.72 30.63 100.43 137.81 29.99 100.90 138.45 31.73 99.41 139.17 31.43 98.10 2 0 -4.87-999 ?-999 ?-999 ? C4 PG5 F 166s mASP^H 67 139.98 30.46 100.78 140.60 31.13 100.38 140.49 29.86 103.13 140.33 29.07 104.05 140.41 29.38 101.67 141.76 28.89 101.23 2 0 -4.43-999 ?-999 ?-999 ? C1 PG5 H 166s mVAL^H 68 140.80 31.14 103.31 140.91 31.65 102.46 140.25 33.03 104.82 140.09 33.80 103.88 140.97 31.70 104.65 142.45 31.88 105.00 3 0 6.79-999 ?-999 ?-999 ? C1 PG5 H 166 mASP^H 69 139.77 33.28 106.03 139.91 32.55 106.70 140.09 35.56 106.89 141.26 35.26 107.04 139.11 34.54 106.32 137.90 34.35 107.24 2 0 10.50-999 ?-999 ?-999 ? C1 PG5 H 166 mVAL^H 70 139.60 36.78 107.13 138.62 36.88 106.93 141.14 37.48 108.95 142.34 37.65 109.08 140.45 37.85 107.63 139.73 39.20 107.71 3 0 13.56-999 ?-999 ?-999 ? C1 PG5 H 166 mALA^H 71 140.39 36.95 109.91 139.43 36.79 109.65 142.12 35.62 111.07 143.21 35.77 111.66 140.97 36.63 111.21 139.89 36.11 112.18 2 0 14.38-999 ?-999 ?-999 ? C1 PG5 H 166 mSER^H 72 141.91 34.60 110.25 141.02 34.58 109.80 144.16 34.22 109.37 145.29 33.86 109.67 142.95 33.60 110.06 142.43 32.43 109.23 2 0 11.23-999 ?-999 ?-999 ? C1 PG5 H 166 mALA^H 73 143.91 35.12 108.43 142.93 35.30 108.30 145.74 36.75 108.54 146.95 36.93 108.40 144.98 35.76 107.66 144.42 36.44 106.43 2 0 11.66-999 ?-999 ?-999 ? C1 PG5 H 166 mGLN^H 74 145.04 37.37 109.49 144.05 37.24 109.44 146.69 37.32 111.34 147.80 37.75 111.63 145.72 38.16 110.50 144.66 38.87 111.36 2 0 15.28-999 ?-999 ?-999 ? C1 PG5 H 166 mARG^H 75 146.29 36.13 111.78 145.33 35.91 111.60 148.40 34.88 111.57 149.55 34.85 112.05 147.20 35.25 112.46 146.47 34.00 112.88 2 0 14.75-999 ?-999 ?-999 ? C1 PG5 H 166 mALA^H 76 148.17 34.65 110.28 147.21 34.64 110.02 150.25 35.63 109.38 151.46 35.44 109.47 149.29 34.44 109.35 148.79 34.21 107.89 2 0 13.02-999 ?-999 ?-999 ? C1 PG5 H 166 mALA^H 77 149.71 36.84 109.29 148.71 36.84 109.20 151.31 38.15 110.63 152.51 38.46 110.62 150.50 38.06 109.31 149.64 39.30 109.09 2 0 16.18-999 ?-999 ?-999 ? C1 PG5 H 166 mGLU^H 78 150.67 37.83 111.74 149.70 37.64 111.60 152.55 36.86 113.01 153.64 37.25 113.45 151.35 37.78 113.05 150.38 37.35 114.15 2 0 18.36-999 ?-999 ?-999 ? C1 PG5 H 166 mLEU^H 79 152.36 35.65 112.48 151.42 35.48 112.18 154.57 35.16 111.45 155.75 34.93 111.74 153.43 34.67 112.35 152.89 33.30 111.88 3 0 17.18-999 ?-999 ?-999 ? O1 PG5 H 166 mCYH^H 80 154.23 35.81 110.34 153.25 35.87 110.17 156.07 37.42 110.26 157.28 37.45 110.15 155.26 36.39 109.46 154.68 37.09 108.24 2 0 17.59-999 ?-999 ?-999 ? C2 PG5 H 166 mALA^H 81 155.37 38.24 111.05 154.38 38.09 110.98 156.91 38.61 112.96 158.00 39.11 113.23 156.01 39.27 111.93 154.96 40.15 112.64 2 0 21.14-999 ?-999 ?-999 ? C2 PG5 H 166 mVAL^H 82 156.47 37.51 113.55 155.55 37.23 113.26 158.55 36.28 113.89 159.64 36.40 114.45 157.28 36.78 114.54 156.47 35.62 115.18 3 0 21.88-999 ?-999 ?-999 ? C2 PG5 H 166 mASN^H 83 158.41 35.74 112.68 157.47 35.71 112.34 160.50 36.36 111.52 161.71 36.17 111.54 159.54 35.25 111.91 159.04 34.41 110.72 2 0 21.01-999 ?-999 ?-999 ? C2 PG5 H 166 mILE^H 84 159.98 37.53 111.16 158.98 37.52 111.08 161.60 39.04 112.19 162.82 39.22 112.13 160.81 38.71 110.91 159.97 39.93 110.49 3 0 23.25-999 ?-999 ?-999 ? C2 PG5 H 166 mLEU^H 85 160.93 39.05 113.33 159.96 38.84 113.23 162.72 38.35 114.94 163.79 38.72 115.42 161.61 39.36 114.62 160.59 39.49 115.76 3 0 25.96-999 ?-999 ?-999 ? C2 PG5 H 166 mALA^H 86 162.46 37.08 114.69 161.52 36.90 114.40 164.68 36.33 113.95 165.83 36.16 114.40 163.47 36.04 114.84 162.87 34.61 114.54 2 0 25.75-999 ?-999 ?-999 ? C2 PG5 H 166 mGLN^H 87 164.47 36.78 112.70 163.51 36.86 112.43 166.37 38.34 112.35 167.60 38.37 112.32 165.61 37.11 111.85 165.19 37.34 110.39 2 0 26.39-999 ?-999 ?-999 ? C2 PG5 H 166 mVAL^H 88 165.63 39.35 112.80 164.64 39.21 112.73 167.10 40.17 114.58 168.24 40.63 114.72 166.26 40.53 113.34 165.25 41.64 113.67 3 0 29.19-999 ?-999 ?-999 ? C2 PG5 H 166 mLYS^H 89 166.56 39.34 115.44 165.64 39.04 115.21 168.62 38.32 116.24 169.69 38.71 116.75 167.28 38.94 116.64 166.44 37.98 117.47 2 0 30.74-999 ?-999 ?-999 ? C2 PG5 H 166 mALA^H 90 168.56 37.37 115.31 167.63 37.15 115.00 170.76 37.75 114.26 171.94 37.74 114.62 169.76 36.72 114.79 169.41 35.70 113.70 2 0 30.84-999 ?-999 ?-999 ? C2 PG5 H 166 mALA^H 91 170.28 38.66 113.41 169.31 38.56 113.22 171.82 40.58 113.87 172.94 41.06 113.64 171.12 39.70 112.81 170.29 40.57 111.86 2 0 32.13-999 ?-999 ?-999 ? O4 PG5 H 166 mLEU^H 92 171.13 40.79 114.99 170.27 40.29 115.03 172.24 40.91 117.23 172.27 41.41 118.38 171.62 41.68 116.07 170.49 42.54 116.59 3 0 34.97-999 ?-999 ?-999 ? C2 PG5 H 166 mASN^H 93 172.72 39.71 116.93 172.58 39.48 115.96 172.64 38.64 119.21 173.27 38.56 120.26 173.37 38.81 117.88 174.80 39.29 118.10 2 0 35.95-999 ?-999 ?-999 ? C2 PG5 H 166 mGLY^H 94 171.31 38.60 119.18 170.90 38.78 118.29 169.76 39.46 120.93 168.92 39.22 121.80 170.54 38.31 120.36-999.99-999.99-999.99 1 0 34.89-999 ?-999 ?-999 ? C2 PG5 H 166 mASP^H 95 170.00 40.69 120.45 170.65 40.71 119.68 168.40 42.71 120.15 168.81 43.66 119.45 169.36 41.90 121.02 170.42 42.86 121.57 2 0 35.93-999 ?-999 ?-999 ? C2 PG5 H 166 mLEU^H 96 167.11 42.35 120.25 166.96 41.52 120.77 166.01 44.59 120.12 165.35 45.44 119.51 166.03 43.12 119.64 164.67 42.46 119.90 3 0 33.56-999 ?-999 ?-999 ? C2 PG5 H 166 mSER^H 97 166.74 44.87 121.21 167.17 44.07 121.62 167.74 47.12 120.86 167.73 48.35 120.98 166.88 46.23 121.75 167.43 46.17 123.19 2 0 36.99-999 ?-999 ?-999 ? C2 PG5 H 166 mLYS^H 98 168.46 46.51 119.92 168.39 45.52 119.91 168.52 47.64 117.72 169.11 48.14 116.77 169.28 47.27 119.00 170.56 46.51 118.74 2 0 37.63-999 ?-999 ?-999 ? C2 PG5 H 166 mILE^H 99 167.22 47.39 117.70 166.93 46.73 118.39 166.13 49.51 117.11 165.67 49.80 118.23 166.32 48.04 116.74 164.93 47.36 116.69 3 0 35.18-999 ?-999 ?-999 ? C2 PG5 H 166 mARG^H 100 166.44 50.40 116.17 166.87 50.00 115.36 164.79 52.16 115.80 164.04 52.88 116.45 166.18 51.83 116.31 167.24 52.65 115.58 2 0 37.27-999 ?-999 ?-999 ? O1 PG5 B 166 mARG^H 101 164.44 51.62 114.64 165.12 51.01 114.23 162.85 50.85 113.01 163.74 50.50 112.25 163.15 51.93 114.05 163.26 53.31 113.37 2 0 33.59-999 ?-999 ?-999 ? O1 PG5 B 166 mVAL^H 102 161.60 50.35 113.00 161.04 50.59 113.79 160.74 50.51 110.79 159.80 51.26 110.97 161.16 49.51 111.87 160.00 48.55 112.25 3 0 30.40-999 ?-999 ?-999 ? O1 PG5 B 166 mILE^H 103 161.49 50.55 109.68 162.18 49.82 109.63 160.13 51.24 107.71 159.30 52.10 107.41 161.31 51.55 108.64 162.60 51.72 107.84 3 0 29.48-999 ?-999 ?-999 ? O1 PG5 B 166 mLYS^H 104 160.04 49.98 107.32 160.65 49.36 107.81 158.77 48.09 106.37 159.65 47.26 106.58 159.11 49.58 106.25 159.72 49.92 104.87 2 0 26.23-999 ?-999 ?-999 ? O1 PG5 B 166 mLEU^H 105 157.48 47.78 106.23 156.87 48.57 106.28 156.33 46.37 104.68 155.52 47.24 104.40 157.04 46.40 106.02 156.03 45.95 107.06 3 0 23.89-999 ?-999 ?-999 ? O1 PG5 B 166 mASN^H 106 156.63 45.36 103.89 157.43 44.83 104.18 155.05 43.80 102.94 155.61 42.73 103.09 155.84 45.07 102.69 156.70 44.94 101.43 2 0 21.68-999 ?-999 ?-999 ? O1 PG5 B 166 mGLY^H 107 153.73 43.95 102.98 153.41 44.88 102.79 152.13 42.37 102.00 151.34 43.09 101.40 152.83 42.87 103.26-999.99-999.99-999.99 1 0 19.11-999 ?-999 ?-999 ? O1 PG5 B 166 mPHE^H 108 152.40 41.12 101.67 152.97 40.65 102.35 150.86 39.49 100.90 151.14 38.61 101.70 151.93 40.46 100.47 153.08 39.72 99.83 3 0 16.72-999 ?-999 ?-999 ? C6 PG5 H 166 mVAL^H 109 149.62 39.67 100.45 149.53 40.43 99.82 147.91 38.05 99.68 147.40 38.68 98.78 148.51 38.79 100.88 147.42 39.62 101.52 3 0 14.02-999 ?-999 ?-999 ? C2 PG5 H 166 mALA^H 110 147.96 36.73 99.71 148.39 36.39 100.54 145.91 36.08 98.67 145.27 35.89 99.73 147.42 35.88 98.61 147.84 34.37 98.77 2 0 10.84-999 ?-999 ?-999 ? O2 PG5 H 166 mSER^H 111 145.35 36.57 97.56 145.94 36.54 96.75 143.21 36.66 96.35 143.74 36.69 95.23 143.99 37.09 97.57 143.98 38.63 97.54 2 0 11.51-999 ?-999 ?-999 ? C3 PG5 B 166 mVAL^H 112 141.93 36.36 96.51 141.66 36.13 97.44 140.77 37.88 94.94 140.90 38.76 95.77 141.04 36.40 95.32 139.71 35.64 95.54 3 0 9.65-999 ?-999 ?-999 ? C3 PG5 B 166 mPRO^H 113 140.44 38.15 93.67 140.31 37.35 93.08 139.15 40.30 93.86 139.12 41.52 93.75 140.30 39.53 93.23 140.12 39.40 91.71 3 0 7.14-999 ?-999 ?-999 ? C3 PG5 B 166 mGLU^H 114 138.22 39.60 94.50 138.31 38.60 94.42 137.60 40.56 96.63 136.87 41.28 97.34 137.16 40.22 95.24 135.90 39.33 95.31 2 0 4.30-999 ?-999 ?-999 ? C3 PG5 B 166 mPHE^H 115 138.74 40.03 97.06 139.23 39.47 96.40 139.96 41.66 98.46 140.93 41.84 97.70 139.20 40.31 98.44 140.04 39.21 99.05 3 0 6.41-999 ?-999 ?-999 ? C3 PG5 B 166 mVAL^H 116 139.49 42.58 99.31 138.77 42.26 99.92 140.32 44.49 100.72 140.31 45.70 100.93 140.01 43.96 99.31 139.09 44.93 98.50 3 0 5.72-999 ?-999 ?-999 ? O1 PG5 B 166 mGLU^H 117 140.65 43.59 101.64 140.67 42.64 101.31 142.38 43.56 103.36 142.65 43.20 104.49 140.97 43.98 103.00 139.89 43.46 103.96 2 0 8.54-999 ?-999 ?-999 ? O1 PG5 B 166 mGLN^H 118 143.31 43.67 102.40 142.97 44.00 101.51 145.25 44.21 103.80 146.10 43.75 104.55 144.70 43.34 102.66 145.59 43.45 101.43 2 0 11.42-999 ?-999 ?-999 ? O1 PG5 B 166 mHIS^H 119 144.78 45.45 103.90 144.12 45.70 103.20 144.87 45.74 106.34 145.69 45.74 107.27 145.24 46.35 104.99 144.68 47.76 104.77 3 0 13.03-999 ?-999 ?-999 ? O1 PG5 B 166 mLEU^H 120 143.66 45.18 106.45 143.09 45.26 105.63 144.07 43.31 108.04 144.40 43.10 109.20 143.23 44.51 107.69 141.75 44.15 107.64 3 0 13.47-999 ?-999 ?-999 ? O1 PG5 B 166 mVAL^H 121 144.46 42.54 107.01 144.11 42.82 106.12 146.68 41.77 107.76 147.17 41.18 108.70 145.32 41.38 107.21 145.46 40.57 105.88 3 0 15.01-999 ?-999 ?-999 ? O1 PG5 B 166 mILE^H 122 147.30 42.78 107.15 146.74 43.23 106.45 148.63 43.87 108.88 149.66 43.85 109.59 148.66 43.17 107.51 149.36 43.98 106.39 3 0 17.37-999 ?-999 ?-999 ? O1 PG5 B 166 mASN^H 123 147.47 44.45 109.25 146.77 44.47 108.54 147.69 43.95 111.68 148.18 44.32 112.75 147.30 44.99 110.62 145.88 45.47 110.87 2 0 18.32-999 ?-999 ?-999 ? O1 PG5 B 166 mGLY^H 124 147.47 42.66 111.41 146.93 42.52 110.58 149.46 41.74 112.62 149.83 41.78 113.79 147.98 41.58 112.27-999.99-999.99-999.99 1 0 19.52-999 ?-999 ?-999 ? C1 PG5 H 166 mALA^H 125 150.28 41.90 111.58 149.81 41.85 110.70 152.04 43.52 112.35 152.81 43.65 113.31 151.74 42.13 111.72 152.42 41.98 110.35 2 0 20.97-999 ?-999 ?-999 ? C1 PG5 H 166 mSER^H 126 151.44 44.57 111.80 150.79 44.33 111.08 151.40 46.10 113.75 152.20 46.64 114.53 151.74 45.94 112.26 150.98 46.99 111.44 2 0 22.64-999 ?-999 ?-999 ? O1 PG5 B 166 mASN^H 127 150.25 45.59 114.15 149.71 45.18 113.42 150.80 44.88 116.50 151.20 45.35 117.58 149.85 45.66 115.57 148.43 45.13 115.71 2 0 23.73-999 ?-999 ?-999 ? O1 PG5 B 166 mLEU^H 128 151.18 43.67 116.08 150.76 43.39 115.21 153.46 43.62 117.00 153.99 43.76 118.11 152.13 42.87 116.84 152.32 41.47 116.21 3 0 24.44-999 ?-999 ?-999 ? C1 PG5 H 166 mILE^H 129 153.99 44.11 115.90 153.43 43.97 115.08 155.29 46.05 116.76 156.22 46.26 117.55 155.30 44.79 115.90 155.77 45.06 114.42 3 0 26.60-999 ?-999 ?-999 ? C1 PG5 H 166 mALA^H 130 154.26 46.88 116.60 153.59 46.58 115.93 153.94 47.80 118.86 154.49 48.49 119.74 154.17 48.12 117.38 153.08 49.01 116.85 2 0 28.09-999 ?-999 ?-999 ? O1 PG5 B 166 mTHR^H 131 153.18 46.74 119.15 152.79 46.30 118.34 154.25 45.84 121.25 154.54 46.26 122.40 152.96 46.29 120.54 151.91 45.19 120.60 2 0 29.42-999 ?-999 ?-999 ? C1 PG5 H 166 mVAL^H 132 155.06 45.04 120.58 154.80 44.87 119.63 157.39 45.45 121.26 158.19 45.38 122.20 156.23 44.48 121.21 156.64 43.09 120.62 3 0 29.92-999 ?-999 ?-999 ? C1 PG5 H 166 mLEU^H 133 157.49 46.38 120.31 156.72 46.40 119.66 158.30 48.70 120.70 159.19 49.52 120.91 158.65 47.29 120.25 159.21 47.36 118.82 3 0 32.29-999 ?-999 ?-999 ? C1 PG5 H 166 mGLY^H 134 157.02 49.02 120.81 156.39 48.25 120.68 156.80 51.34 119.96 156.82 50.92 118.80 156.59 50.38 121.11-999.99-999.99-999.99 1 0 32.72-999 ?-999 ?-999 ? O1 PG5 B 166 mGLU^H 135 156.99 52.62 120.27 157.04 52.81 121.25 158.06 53.30 118.10 157.72 53.48 116.91 157.10 53.66 119.24 157.46 55.02 119.86 2 0 32.42-999 ?-999 ?-999 ? O1 PG5 B 166 mPRO^H 136 159.25 52.78 118.42 159.41 52.70 119.41 159.67 51.31 116.40 160.18 51.21 115.29 160.21 52.36 117.38 161.34 51.74 118.19 3 0 33.17-999 ?-999 ?-999 ? O1 PG5 B 166 mGLY^H 137 158.66 50.55 116.82 158.41 50.70 117.78 157.06 50.16 114.90 156.68 49.45 113.97 157.99 49.58 115.96-999.99-999.99-999.99 1 0 30.09-999 ?-999 ?-999 ? O1 PG5 B 166 mARG^H 138 156.69 51.43 115.02 157.09 51.92 115.80 156.51 52.29 112.73 157.57 52.90 112.70 155.77 52.03 114.05 155.13 53.28 114.60 2 0 27.70-999 ?-999 ?-999 ? O1 PG5 B 166 mHIS^H 139 155.89 51.86 111.63 154.91 51.69 111.76 155.75 52.12 109.22 154.54 52.12 109.33 156.60 51.66 110.36 156.86 50.19 110.15 3 0 26.20-999 ?-999 ?-999 ? O1 PG5 B 166 mALA^H 140 156.42 52.52 108.14 157.39 52.68 108.30 155.44 51.29 106.30 156.01 50.29 106.75 155.78 52.69 106.83 156.67 53.40 105.87 2 0 24.18-999 ?-999 ?-999 ? O1 PG5 B 166 mARG^H 141 154.52 51.23 105.35 154.26 52.12 104.97 153.37 49.99 103.52 152.90 51.06 103.06 153.97 49.94 104.92 152.85 49.52 105.88 2 0 21.12-999 ?-999 ?-999 ? O1 PG5 B 166 mALA^H 142 153.40 48.84 102.86 154.02 48.17 103.26 151.80 47.32 101.99 152.31 46.43 102.65 152.58 48.59 101.67 153.45 48.40 100.43 2 0 18.55-999 ?-999 ?-999 ? O1 PG5 B 166 mALA^H 143 150.55 47.27 101.54 150.27 48.11 101.08 149.02 45.84 100.34 148.30 46.69 99.79 149.68 46.11 101.71 148.61 46.36 102.80 2 0 15.50-999 ?-999 ?-999 ? O1 PG5 B 166 mVAL^H 144 149.31 44.67 99.79 149.82 44.06 100.41 148.39 42.91 98.24 148.80 41.97 98.98 148.90 44.33 98.40 150.07 44.60 97.46 3 0 14.11-999 ?-999 ?-999 ? O1 PG5 B 166 mGLY^H 145 147.55 42.71 97.24 147.35 43.53 96.70 147.70 40.65 95.84 147.78 41.15 94.71 146.98 41.39 96.96-999.99-999.99-999.99 1 0 12.31-999 ?-999 ?-999 ? C3 PG5 B 166 mMETH 146 148.20 39.47 96.19 148.01 39.22 97.15 148.10 37.49 94.70 147.15 37.06 95.33 148.96 38.60 95.28 150.12 37.88 95.95 2 0 13.64-999 ?-999 ?-999 ? C6 PG5 H 166 mALA^H 147 148.50 36.99 93.52 149.26 37.47 93.10 148.05 34.55 93.79 147.14 33.76 93.92 147.85 35.81 92.92 148.38 35.53 91.48 2 0 11.13-999 ?-999 ?-999 ? C6 PG5 H 166 mSER^H 148 149.25 34.40 94.38 149.87 35.18 94.26 151.04 33.47 95.69 151.68 34.45 95.30 149.63 33.23 95.15 149.62 31.99 94.25 2 0 8.45-999 ?-999 ?-999 ? C6 PG5 H 166 mLEU^H 149 151.46 32.64 96.63 150.80 31.92 96.86 153.44 31.45 97.45 152.79 30.40 97.41 152.76 32.77 97.26 152.59 33.44 98.63 3 0 9.40-999 ?-999 ?-999 ? C6 PG5 H 166 mPRO^H 150 154.79 31.48 97.64 155.20 32.39 97.59 154.90 29.34 98.96 154.43 29.83 100.02 155.54 30.24 97.89 156.90 30.76 98.34 3 0 9.40-999 ?-999 ?-999 ? O4 PG5 H 166 mPHE^H 151 154.81 28.05 98.65 155.14 27.85 97.73 152.82 27.24 99.92 152.34 26.71 100.91 154.29 27.04 99.58 155.13 26.99 100.88 3 0 7.26-999 ?-999 ?-999 ? O4 PG5 H 166 mASN^H 152 152.13 28.05 99.10 152.69 28.40 98.34 150.51 29.18 100.55 149.42 29.17 101.10 150.74 28.40 99.25 149.86 27.14 99.22 2 0 -5.79-999 ?-999 ?-999 ? C6 PG5 H 166s mALA^H 153 151.54 29.90 101.00 152.39 29.78 100.48 150.34 31.77 101.90 150.21 32.30 100.80 151.43 30.76 102.16 152.77 31.49 102.41 2 0 8.72-999 ?-999 ?-999 ? C2 PG5 H 166 mSER^H 154 149.55 32.07 102.91 149.71 31.55 103.75 149.08 34.53 102.76 148.51 35.45 102.21 148.51 33.10 102.71 147.37 32.92 103.73 2 0 8.89-999 ?-999 ?-999 ? C2 PG5 H 166 mVAL^H 155 150.21 34.70 103.44 150.61 33.87 103.83 152.33 35.83 103.61 152.86 34.83 104.11 150.81 36.01 103.59 150.39 36.74 104.98 3 0 12.63-999 ?-999 ?-999 ? C2 PG5 H 166 mGLU^H 156 153.02 36.84 103.10 152.43 37.55 102.71 154.78 38.37 103.42 154.13 39.28 102.84 154.49 36.90 103.12 155.09 36.49 101.78 2 0 15.32-999 ?-999 ?-999 ? C2 PG5 H 166 mILE^H 157 155.72 38.61 104.32 156.16 37.79 104.68 157.58 40.12 104.79 158.25 39.28 105.39 156.07 39.98 104.71 155.46 40.39 106.12 3 0 18.95-999 ?-999 ?-999 ? C2 PG5 H 166 mASP^H 158 158.11 41.16 104.14 157.47 41.68 103.58 159.65 42.78 105.06 158.64 43.44 105.43 159.51 41.49 104.25 160.19 41.49 102.89 2 0 22.01-999 ?-999 ?-999 ? C6 PG5 H 166 mALA^H 159 160.88 43.14 105.38 161.59 42.54 105.02 162.45 44.99 106.00 163.42 44.34 105.62 161.10 44.33 106.22 160.95 43.97 107.71 2 0 25.66-999 ?-999 ?-999 ? C2 PG5 H 166 mILE^H 160 162.45 46.28 106.31 161.53 46.65 106.46 163.63 47.70 107.83 162.62 48.27 108.26 163.65 47.10 106.42 163.71 48.23 105.39 3 0 29.29-999 ?-999 ?-999 ? C6 PG5 H 166 mVAL^H 161 164.75 47.56 108.53 165.53 47.21 108.00 166.13 48.72 110.18 167.22 48.30 109.79 164.84 47.90 109.94 164.85 46.63 110.83 3 0 31.59-999 ?-999 ?-999 ? C2 PG5 H 166 mGLU^H 162 166.01 49.88 110.81 165.06 50.15 111.00 167.71 50.13 112.48 166.93 49.96 113.42 167.20 50.67 111.15 166.86 52.13 111.32 2 0 35.43-999 ?-999 ?-999 ? C2 PG5 H 166 mILE^H 163 169.02 49.90 112.54 169.53 50.27 111.76 170.83 49.99 114.18 171.35 50.85 113.47 169.64 49.18 113.66 170.12 47.76 113.26 3 0 36.81-999 ?-999 ?-999 ? C2 PG5 H 166 mASP^H 164 171.21 49.71 115.43 170.55 49.13 115.92 173.65 49.39 115.57 173.60 48.15 115.72 172.47 50.22 116.02 172.37 50.17 117.53 2 0 40.27-999 ?-999 ?-999 ? C2 PG5 H 166 mTHR^I 2 152.85 79.19 38.60 152.70 80.05 38.11 151.81 77.50 40.11 151.32 76.38 39.94 153.07 77.91 39.34 154.31 77.96 40.30 2 0 48.65-999 ?-999 ?-999 ? C1 PG5 I 166 mGLU^I 3 151.29 78.39 40.94 151.87 79.19 41.11 148.94 78.15 40.42 148.00 77.36 40.48 149.97 78.19 41.55 149.61 79.28 42.57 2 0 46.69-999 ?-999 ?-999 ? C1 PG5 I 166 mASN^I 4 149.14 78.99 39.40 149.92 79.60 39.52 148.36 77.68 37.44 147.36 77.20 36.90 148.27 78.98 38.22 148.59 80.16 37.30 2 0 44.48-999 ?-999 ?-999 ? C1 PG5 I 166 mLEU^I 5 149.56 77.12 37.36 150.29 77.63 37.81 149.10 74.74 37.47 148.43 73.86 36.91 149.76 75.86 36.68 151.25 75.58 36.49 3 0 44.27-999 ?-999 ?-999 ? C1 PG5 I 166 mTYR^I 6 149.29 74.77 38.78 149.89 75.50 39.09 147.13 73.84 39.49 146.50 72.80 39.38 148.66 73.81 39.66 149.08 74.10 41.10 3 0 43.49-999 ?-999 ?-999 ? C1 PG5 I 166 mPHE^I 7 146.55 75.04 39.45 147.18 75.81 39.53 144.61 74.72 37.89 143.57 74.05 37.78 145.09 75.16 39.28 144.60 76.58 39.62 3 0 40.60-999 ?-999 ?-999 ? C1 PG5 I 166 mGLN^I 8 145.36 75.07 36.84 146.11 75.70 37.05 145.12 73.00 35.48 144.29 72.36 34.86 145.06 74.54 35.50 146.01 75.11 34.42 2 0 39.27-999 ?-999 ?-999 ? C1 PG5 I 166 mGLY^I 9 146.11 72.44 36.17 146.72 73.09 36.62 145.12 70.34 36.96 144.60 69.34 36.49 146.29 71.00 36.25-999.99-999.99-999.99 1 0 39.56-999 ?-999 ?-999 ? C1 PG5 I 166 mMETI 10 144.74 70.91 38.10 145.33 71.67 38.38 142.29 70.47 38.02 141.49 69.54 38.09 143.58 70.45 38.87 143.38 71.33 40.09 2 0 37.73-999 ?-999 ?-999 ? C1 PG5 I 166 mSER^I 11 142.12 71.52 37.22 142.83 72.21 37.29 141.01 70.57 35.21 140.00 69.96 34.89 140.95 71.62 36.31 140.85 73.01 35.69 2 0 34.83-999 ?-999 ?-999 ? C1 PG5 I 166 mASP^I 12 142.20 70.36 34.63 142.95 70.93 34.96 141.98 67.97 34.12 141.41 67.16 33.40 142.35 69.35 33.59 143.80 69.28 33.07 2 0 34.82-999 ?-999 ?-999 ? C1 PG5 I 166 mVAL^I 13 142.34 67.72 35.38 142.81 68.47 35.84 140.55 66.36 36.21 139.98 65.32 35.94 142.07 66.46 36.01 142.81 66.31 37.35 3 0 34.63-999 ?-999 ?-999 ? C1 PG5 I 166 mILE^I 14 139.92 67.43 36.67 140.52 68.20 36.86 137.72 67.09 35.52 136.90 66.18 35.44 138.43 67.41 36.85 137.91 68.73 37.48 3 0 31.67-999 ?-999 ?-999 ? C1 PG5 I 166 mGLU^I 15 138.05 67.83 34.47 138.75 68.52 34.66 137.81 66.29 32.53 137.01 65.70 31.80 137.44 67.62 33.17 137.78 68.75 32.24 2 0 29.68-999 ?-999 ?-999 ? C1 PG5 I 166 mGLY^I 16 139.02 65.80 32.79 139.61 66.38 33.35 138.63 63.36 32.92 138.20 62.42 32.24 139.42 64.49 32.28-999.99-999.99-999.99 1 0 30.89-999 ?-999 ?-999 ? C1 PG5 I 166 mARG^I 17 138.43 63.45 34.23 138.92 64.20 34.68 136.16 62.47 34.33 135.58 61.42 34.19 137.58 62.49 34.94 137.50 62.83 36.40 2 0 29.66-999 ?-999 ?-999 ? C1 PG5 I 166 mLEU^I 18 135.67 63.63 33.96 136.27 64.41 34.11 134.30 63.03 32.00 133.33 62.33 31.68 134.34 63.71 33.37 133.92 65.16 33.25 3 0 26.18-999 ?-999 ?-999 ? C1 PG5 I 166 mLYS^I 19 135.33 63.24 31.18 135.99 63.91 31.51 135.48 60.96 30.11 134.87 60.20 29.36 135.44 62.49 29.91 136.66 62.94 29.12 2 0 26.40-999 ?-999 ?-999 ? C1 PG5 I 166 mGLU^I 20 136.19 60.50 31.14 136.68 61.20 31.65 134.85 58.56 31.80 134.59 57.36 31.67 136.23 59.08 31.46 137.17 58.83 32.62 2 0 27.53-999 ?-999 ?-999 ? C1 PG5 I 166 mLEU^I 21 133.97 59.44 32.24 134.33 60.37 32.34 131.68 59.13 31.32 130.54 58.66 31.36 132.59 59.05 32.54 132.04 59.93 33.65 3 0 24.27-999 ?-999 ?-999 ? C1 PG5 I 166 mGLY^I 22 132.15 59.74 30.24 133.04 60.16 30.37 130.96 61.13 28.56 130.27 61.25 27.55 131.42 59.76 28.99-999.99-999.99-999.99 1 0 22.32-999 ?-999 ?-999 ? C1 PG5 I 166 mPHE^I 23 131.37 62.17 29.27 132.03 61.94 29.99 131.97 64.55 28.73 133.01 64.58 29.38 130.88 63.51 29.01 130.04 64.00 30.20 3 0 21.84-999 ?-999 ?-999 ? C1 PG5 I 166 mTHR^I 24 131.68 65.43 27.77 130.92 65.14 27.19 131.50 67.82 28.05 130.26 67.74 27.96 132.40 66.67 27.58 132.80 66.87 26.11 2 0 23.70-999 ?-999 ?-999 ? C1 PG5 I 166 mLEU^I 25 132.12 68.85 28.60 133.11 68.75 28.70 130.83 70.76 27.80 131.54 70.98 26.81 131.39 70.03 29.02 132.27 70.99 29.83 3 0 23.89-999 ?-999 ?-999 ? C1 PG5 I 166 mPRO^I 26 129.55 71.14 27.86 129.01 70.80 28.63 129.51 73.46 27.06 130.07 73.80 28.11 129.05 72.01 26.83 127.53 71.86 26.99 3 0 22.41-999 ?-999 ?-999 ? C1 PG5 I 166 mVAL^I 27 129.27 74.31 26.07 129.05 73.87 25.19 128.21 76.18 27.27 128.39 77.13 28.05 129.33 75.75 26.28 129.24 76.52 24.92 3 0 24.62-999 ?-999 ?-999 ? C1 PG5 I 166 mALA^I 28 127.08 75.45 27.27 127.08 74.71 26.60 125.63 74.54 29.13 125.08 74.72 30.24 125.95 75.72 28.19 124.71 76.09 27.39 2 0 22.08-999 ?-999 ?-999 ? C1 PG5 I 166 mALA^I 33 119.04 87.36 29.36 119.96 87.31 28.98 117.71 88.21 31.26 118.78 88.59 31.78 117.69 87.44 29.93 117.13 86.02 30.14 2 0 23.27-999 ?-999 ?-999 ? C8 PG5 I 166 mASN^I 34 116.52 88.44 31.83 115.74 88.12 31.29 116.77 88.16 34.32 116.92 88.59 35.46 116.40 89.10 33.15 115.00 89.70 33.30 2 0 24.62-999 ?-999 ?-999 ? C7 PG5 I 166 mTYR^I 35 116.92 86.88 34.00 116.55 86.63 33.11 118.83 85.42 34.23 118.94 85.37 33.00 117.56 85.94 34.91 116.66 84.79 35.34 3 0 23.35-999 ?-999 ?-999 ? C7 PG5 I 166 mVAL^I 36 119.78 85.06 35.09 119.49 85.06 36.04 121.41 83.25 35.08 120.74 82.72 35.97 121.10 84.69 34.67 122.11 85.70 35.24 3 0 24.65-999 ?-999 ?-999 ? C7 PG5 I 166 mPRO^I 37 122.39 82.60 34.40 122.84 83.12 33.68 123.32 81.04 36.15 123.21 79.95 36.71 122.73 81.22 34.75 123.74 80.82 33.67 3 0 23.84-999 ?-999 ?-999 ? C7 PG5 I 166 mPHE^I 38 123.92 82.09 36.70 123.96 82.90 36.12 124.64 83.42 38.62 124.71 84.41 37.87 124.47 82.02 38.05 125.82 81.27 38.04 3 0 26.89-999 ?-999 ?-999 ? C7 PG5 I 166 mTHR^I 39 124.71 83.50 39.94 124.48 82.64 40.40 126.11 84.32 41.68 126.21 83.14 42.04 125.09 84.72 40.64 123.90 85.42 41.36 2 0 29.91-999 ?-999 ?-999 ? C7 PG5 I 166 mILE^I 40 126.89 85.29 42.17 126.75 86.19 41.75 127.57 86.03 44.34 127.43 87.22 44.07 127.84 85.03 43.25 129.32 85.23 42.80 3 0 33.29-999 ?-999 ?-999 ? C7 PG5 I 166 mSER^I 41 127.50 85.56 45.57 127.49 84.56 45.62 128.51 85.96 47.73 128.45 84.86 48.26 127.44 86.43 46.73 126.04 86.40 47.38 2 0 35.58-999 ?-999 ?-999 ? C7 PG5 I 166 mGLY^I 42 129.52 86.82 47.97 129.41 87.72 47.55 131.38 85.29 48.07 131.76 85.43 46.90 130.67 86.43 48.76-999.99-999.99-999.99 1 0 38.92-999 ?-999 ?-999 ? C7 PG5 I 166 mASN^I 43 131.55 84.17 48.78 131.21 84.23 49.72 131.16 81.85 47.89 131.54 80.69 47.81 132.17 82.97 48.20 133.29 82.45 49.08 2 0 38.23-999 ?-999 ?-999 ? C7 PG5 I 166 mLEU^I 44 129.89 82.23 47.73 129.74 83.20 47.91 128.36 81.64 45.91 128.06 82.79 45.59 128.82 81.30 47.32 127.65 81.33 48.28 3 0 34.68-999 ?-999 ?-999 ? C7 PG5 I 166 mLEU^I 45 128.34 80.61 45.08 128.63 79.76 45.53 126.59 79.92 43.63 126.52 78.75 43.99 127.93 80.64 43.69 128.93 79.89 42.82 3 0 31.70-999 ?-999 ?-999 ? C7 PG5 I 166 mTYR^I 46 125.57 80.64 43.19 125.82 81.58 42.99 123.97 79.83 41.56 123.92 80.77 40.76 124.21 80.09 43.03 123.19 81.12 43.47 3 0 28.40-999 ?-999 ?-999 ? C7 PG5 I 166 mVAL^I 47 123.81 78.56 41.21 123.82 77.91 41.97 122.16 77.92 39.62 121.52 77.21 40.42 123.64 78.17 39.83 124.45 76.89 39.48 3 0 25.47-999 ?-999 ?-999 ? C7 PG5 I 166 mSER^I 48 121.63 78.50 38.55 122.29 79.06 38.04 119.91 76.89 37.81 120.81 76.13 37.44 120.21 78.34 38.17 119.92 79.20 36.96 2 0 22.08-999 ?-999 ?-999 ? C7 PG5 I 166 mGLY^I 49 118.63 76.51 37.88 117.99 77.21 38.20 118.62 74.82 36.11 118.31 75.55 35.17 118.23 75.17 37.52-999.99-999.99-999.99 1 0 19.04-999 ?-999 ?-999 ? C7 PG5 I 166 mGLN^I 50 119.31 73.69 35.98 119.45 73.20 36.84 118.98 72.02 34.32 118.61 71.20 35.18 119.82 73.22 34.71 121.29 72.81 34.84 2 0 18.16-999 ?-999 ?-999 ? C1 PG5 I 166 mLEU^I 51 118.79 71.91 33.01 119.26 72.62 32.49 118.94 69.91 31.71 120.14 70.19 31.62 117.98 70.88 32.38 117.05 71.54 31.36 3 0 14.45-999 ?-999 ?-999 ? C1 PG5 I 166 mPRO^I 52 118.43 68.74 31.27 117.44 68.64 31.36 119.71 68.01 29.24 119.30 67.27 28.35 119.34 67.73 30.70 118.57 66.40 30.87 3 0 12.82-999 ?-999 ?-999 ? C1 PG5 I 166 mMETI 53 120.48 69.08 29.04 120.77 69.52 29.89 122.07 68.82 27.20 123.10 68.72 27.88 120.87 69.58 27.72 121.29 71.06 27.80 2 0 14.28-999 ?-999 ?-999 ? C1 PG5 I 166 mGLU^I 54 121.96 68.33 25.97 121.05 68.47 25.57 122.90 68.08 23.82 121.82 67.97 23.24 123.03 67.64 25.28 122.88 66.12 25.41 2 0 15.05-999 ?-999 ?-999 ? C1 PG5 I 166 mSER^I 55 123.97 68.66 23.25 124.77 68.69 23.84 122.84 70.19 21.65 122.19 70.21 20.60 123.94 69.18 21.87 123.78 68.05 20.87 2 0 17.01-999 ?-999 ?-999 ? C1 PG5 I 166 mGLY^I 56 122.63 71.03 22.63 123.20 70.89 23.44 120.19 71.54 22.52 119.31 72.26 22.12 121.63 72.05 22.53-999.99-999.99-999.99 1 0 16.61-999 ?-999 ?-999 ? C1 PG5 I 166 mLYS^I 57 119.97 70.29 22.94 120.79 69.80 23.23 118.35 69.16 24.33 119.26 68.71 24.99 118.62 69.73 22.95 118.51 68.58 21.94 2 0 12.82-999 ?-999 ?-999 ? C1 PG5 I 166 mILE^I 58 117.08 69.16 24.73 116.45 69.61 24.10 116.66 67.04 25.72 115.75 66.55 25.05 116.68 68.53 25.99 115.29 68.97 26.47 3 0 10.27-999 ?-999 ?-999 ? C1 PG5 I 166 mALA^I 59 117.63 66.32 26.26 118.19 66.83 26.92 116.89 63.93 26.50 116.71 62.86 25.94 117.88 64.93 25.92 119.30 64.52 26.35 2 0 9.23-999 ?-999 ?-999 ? C1 PG5 I 166 mVAL^I 60 116.26 64.26 27.63 116.46 65.18 27.96 114.12 64.12 28.78 114.23 65.07 29.52 115.36 63.32 28.30 116.01 62.63 29.50 3 0 6.78-999 ?-999 ?-999 ? C1 PG5 I 166 mTHR^I 61 112.96 63.71 28.27 113.04 62.87 27.73 110.61 63.43 28.91 110.61 62.23 28.60 111.71 64.39 28.47 111.21 65.08 27.18 2 0 -4.69-999 ?-999 ?-999 ? C1 PG5 I 166s mGLY^I 62 109.63 64.00 29.59 109.73 64.99 29.70 108.67 62.86 31.60 109.64 63.26 32.29 108.51 63.23 30.13-999.99-999.99-999.99 1 0 4.12-999 ?-999 ?-999 ? C2 PG5 I 166 mLEU^I 63 107.68 62.12 32.08 107.03 61.81 31.38 108.19 60.52 33.80 107.96 59.49 33.15 107.54 61.81 33.48 106.07 61.71 33.91 3 0 7.11-999 ?-999 ?-999 ? O2 PG5 I 166 mVAL^I 64 108.99 60.57 34.83 109.15 61.49 35.19 108.43 58.49 35.99 107.59 58.96 36.80 109.57 59.37 35.37 110.66 59.72 36.38 3 0 9.66-999 ?-999 ?-999 ? O1 PG5 I 166 mGLY^I 65 108.42 57.23 35.59 109.21 56.99 35.01 106.29 56.17 34.88 105.40 55.31 34.98 107.36 56.29 35.94-999.99-999.99-999.99 1 0 8.51-999 ?-999 ?-999 ? O3 PG5 G 166 mARG^I 66 106.36 57.03 33.86 107.09 57.71 33.94 106.17 56.93 31.40 105.98 56.02 30.64 105.44 56.94 32.72 104.41 58.06 32.76 2 0 -5.04-999 ?-999 ?-999 ? O3 PG5 G 166s mASP^I 67 106.94 57.98 31.13 107.01 58.63 31.88 109.07 57.66 29.88 109.62 57.23 28.85 107.63 58.16 29.85 107.61 59.63 29.50 2 0 -4.93-999 ?-999 ?-999 ? O1 PG5 I 166s mVAL^I 68 109.67 57.73 31.06 109.05 58.04 31.79 111.22 56.54 32.51 110.46 56.67 33.47 111.08 57.39 31.28 111.97 58.67 31.39 3 0 6.94-999 ?-999 ?-999 ? C1 PG5 I 166 mASP^I 69 112.17 55.62 32.45 112.65 55.59 31.57 113.64 55.34 34.40 114.18 56.38 34.06 112.49 54.76 33.58 112.80 53.33 33.09 2 0 10.62-999 ?-999 ?-999 ? C8 PG5 G 166 mVAL^I 70 114.02 54.64 35.47 113.59 53.75 35.58 116.36 55.37 35.68 117.02 56.42 35.84 115.00 55.19 36.38 115.12 54.37 37.68 3 0 13.45-999 ?-999 ?-999 ? C1 PG5 I 166 mALA^I 71 116.76 54.38 34.90 116.11 53.62 34.82 118.13 55.70 33.31 119.09 56.48 33.33 118.07 54.46 34.24 118.35 53.17 33.48 2 0 13.91-999 ?-999 ?-999 ? C1 PG5 I 166 mSER^I 72 117.09 55.90 32.51 116.37 55.21 32.57 117.04 58.40 32.41 117.65 59.38 32.01 117.06 57.07 31.63 115.86 57.01 30.70 2 0 10.53-999 ?-999 ?-999 ? C1 PG5 I 166 mALA^I 73 116.29 58.41 33.52 115.80 57.56 33.70 117.57 59.85 35.05 117.95 61.01 35.20 116.21 59.57 34.39 115.12 59.36 35.47 2 0 11.10-999 ?-999 ?-999 ? C1 PG5 I 166 mGLN^I 74 118.29 58.80 35.43 117.83 57.92 35.34 120.57 59.65 34.91 121.35 60.51 35.26 119.64 58.97 35.94 120.23 57.64 36.38 2 0 14.61-999 ?-999 ?-999 ? C1 PG5 I 166 mARG^I 75 120.49 59.25 33.65 119.92 58.44 33.51 120.81 61.41 32.50 121.63 62.27 32.33 121.21 59.96 32.60 120.93 59.34 31.25 2 0 13.71-999 ?-999 ?-999 ? C1 PG5 I 166 mALA^I 76 119.51 61.68 32.56 118.91 60.88 32.53 119.73 63.83 33.81 120.20 64.95 33.61 119.06 63.06 32.67 117.51 63.14 32.81 2 0 11.99-999 ?-999 ?-999 ? C1 PG5 I 166 mALA^I 77 119.79 63.22 35.00 119.40 62.30 35.01 121.89 64.18 35.92 122.39 65.27 36.22 120.37 63.87 36.18 120.19 62.98 37.40 2 0 15.33-999 ?-999 ?-999 ? C1 PG5 I 166 mGLU^I 78 122.56 63.22 35.32 122.00 62.41 35.18 124.17 64.55 34.01 125.06 65.37 34.23 123.99 63.35 34.92 124.47 62.09 34.22 2 0 17.34-999 ?-999 ?-999 ? C1 PG5 I 166 mLEU^I 79 123.30 64.66 32.99 122.65 63.91 32.92 123.07 67.15 32.76 123.76 68.14 32.48 123.33 65.79 32.07 122.37 65.57 30.90 3 0 15.93-999 ?-999 ?-999 ? C1 PG5 I 166 mCYH^I 80 122.10 67.19 33.67 121.55 66.35 33.74 123.15 68.74 35.21 123.53 69.91 35.22 121.86 68.36 34.48 120.74 68.11 35.50 2 0 16.75-999 ?-999 ?-999 ? C1 PG5 I 166 mALA^I 81 123.78 67.75 35.82 123.31 66.87 35.72 126.16 68.44 35.67 126.92 69.30 36.09 125.04 67.93 36.56 125.46 66.62 37.23 2 0 20.12-999 ?-999 ?-999 ? C1 PG5 I 166 mVAL^I 82 126.26 67.94 34.45 125.58 67.23 34.27 127.04 69.90 33.13 127.94 70.74 33.05 127.30 68.43 33.50 127.37 67.51 32.23 3 0 20.76-999 ?-999 ?-999 ? C1 PG5 I 166 mASN^I 83 125.77 70.25 32.95 125.11 69.50 33.00 125.68 72.52 33.90 126.14 73.64 33.74 125.40 71.63 32.69 123.95 71.72 32.21 2 0 20.26-999 ?-999 ?-999 ? C1 PG5 I 166 mILE^I 84 125.49 71.99 35.11 125.07 71.09 35.10 127.37 72.98 36.25 127.81 74.10 36.41 125.87 72.73 36.32 125.50 71.99 37.64 3 0 22.64-999 ?-999 ?-999 ? C1 PG5 I 166 mLEU^I 85 128.14 71.93 35.98 127.64 71.08 35.83 130.07 73.08 34.84 131.03 73.86 35.05 129.62 72.07 35.92 130.27 70.72 35.73 3 0 25.05-999 ?-999 ?-999 ? C1 PG5 I 166 mALA^I 86 129.38 73.09 33.69 128.69 72.37 33.62 129.41 75.50 33.13 130.21 76.39 32.85 129.65 74.07 32.65 128.84 73.78 31.38 2 0 24.91-999 ?-999 ?-999 ? C1 PG5 I 166 mGLN^I 87 128.36 75.75 33.91 127.78 74.95 34.09 129.13 77.49 35.48 129.57 78.63 35.55 128.11 77.10 34.43 126.71 77.18 35.04 2 0 25.96-999 ?-999 ?-999 ? C1 PG5 I 166 mVAL^I 88 129.51 76.54 36.33 129.06 75.65 36.20 131.83 77.12 36.68 132.51 78.04 37.10 130.49 76.80 37.35 130.68 75.61 38.31 3 0 28.61-999 ?-999 ?-999 ? C1 PG5 I 166 mLYS^I 89 132.19 76.36 35.66 131.56 75.61 35.47 133.44 78.07 34.37 134.46 78.79 34.49 133.44 76.64 34.91 133.62 75.63 33.77 2 0 29.94-999 ?-999 ?-999 ? C1 PG5 I 166 mALA^I 90 132.33 78.47 33.75 131.65 77.75 33.64 132.29 80.88 34.41 133.01 81.90 34.26 132.14 79.85 33.28 130.77 79.99 32.60 2 0 30.28-999 ?-999 ?-999 ? C1 PG5 I 166 mALA^I 91 131.66 80.59 35.54 131.17 79.72 35.52 133.08 81.69 37.26 133.39 82.75 37.80 131.66 81.46 36.71 130.76 80.88 37.81 2 0 31.96-999 ?-999 ?-999 ? C1 PG5 I 166 mLEU^I 92 133.91 80.66 37.13 133.52 79.90 36.60 136.32 80.90 36.64 137.50 80.58 36.86 135.25 80.65 37.71 135.49 79.32 38.40 3 0 34.42-999 ?-999 ?-999 ? C1 PG5 I 166 mASN^I 93 135.89 81.45 35.51 134.90 81.55 35.47 137.65 80.69 33.89 138.83 80.88 33.58 136.79 81.85 34.42 137.65 83.04 34.88 2 0 35.31-999 ?-999 ?-999 ? C1 PG5 I 166 mGLY^I 94 137.06 79.51 33.80 136.13 79.49 34.16 138.24 77.32 34.23 138.68 76.24 33.84 137.71 78.34 33.23-999.99-999.99-999.99 1 0 33.87-999 ?-999 ?-999 ? C1 PG5 I 166 mASP^I 95 138.16 77.66 35.51 137.59 78.46 35.68 137.89 76.18 37.53 137.53 76.72 38.59 138.83 76.92 36.57 139.65 77.93 37.39 2 0 35.02-999 ?-999 ?-999 ? C1 PG5 I 166 mLEU^I 96 137.55 74.94 37.21 137.85 74.67 36.30 137.56 73.68 39.41 136.98 73.15 40.37 136.79 74.07 38.13 136.28 72.81 37.40 3 0 32.64-999 ?-999 ?-999 ? C1 PG5 I 166 mSER^I 97 138.86 73.93 39.43 139.22 74.30 38.57 139.43 74.74 41.70 139.84 74.55 42.86 139.67 73.69 40.61 141.15 73.68 40.23 2 0 35.91-999 ?-999 ?-999 ? C1 PG5 I 166 mLYS^I 98 138.76 75.84 41.35 138.53 75.89 40.38 137.09 76.57 43.04 136.65 77.36 43.88 138.41 76.87 42.32 138.39 78.25 41.65 2 0 36.84-999 ?-999 ?-999 ? C1 PG5 I 166 mILE^I 99 136.47 75.42 42.74 136.80 74.99 41.90 135.99 74.43 44.93 136.91 73.60 44.94 135.41 74.86 43.61 134.72 73.61 42.97 3 0 34.32-999 ?-999 ?-999 ? C1 PG5 I 166 mARG^I 100 135.49 74.99 46.04 134.83 75.71 45.87 135.04 73.41 47.89 135.54 72.41 48.40 135.91 74.54 47.38 135.88 75.69 48.38 2 0 36.66-999 ?-999 ?-999 ? C1 PG5 I 166 mARG^I 101 133.73 73.56 47.73 133.48 74.43 47.30 131.47 72.75 47.37 131.02 73.88 47.21 132.76 72.55 48.16 132.48 72.74 49.65 2 0 33.73-999 ?-999 ?-999 ? C1 PG5 A 166 mVAL^I 102 130.90 71.65 46.87 131.49 70.84 46.86 128.65 71.59 47.64 128.63 70.57 48.34 129.51 71.68 46.39 129.19 70.54 45.42 3 0 30.60-999 ?-999 ?-999 ? C1 PG5 I 166 mILE^I 103 127.96 72.68 47.94 127.98 73.38 47.23 125.90 72.13 49.17 125.54 71.36 50.09 127.25 72.82 49.20 127.06 74.31 49.57 3 0 29.69-999 ?-999 ?-999 ? C1 PG5 A 166 mLYS^I 104 125.19 72.37 48.08 125.66 72.92 47.39 123.41 71.65 46.50 123.73 72.47 45.67 123.82 71.83 47.96 122.85 72.77 48.69 2 0 26.49-999 ?-999 ?-999 ? C1 PG5 A 166 mLEU^I 105 122.71 70.56 46.22 122.74 69.87 46.94 120.48 70.18 45.33 120.16 69.39 46.23 121.96 70.41 44.97 122.43 69.18 44.17 3 0 24.09-999 ?-999 ?-999 ? C2 PG5 A 166 mASN^I 106 119.61 70.85 44.60 120.04 71.56 44.03 117.80 69.85 43.34 117.92 70.41 42.26 118.17 70.57 44.64 117.34 71.85 44.83 2 0 21.66-999 ?-999 ?-999 ? C2 PG5 A 166 mGLY^I 107 117.40 68.58 43.47 117.35 68.28 44.42 115.56 67.59 42.22 114.89 67.03 43.09 117.07 67.72 42.36-999.99-999.99-999.99 1 0 18.99-999 ?-999 ?-999 ? C2 PG5 A 166 mPHE^I 108 115.05 68.14 41.12 115.73 68.54 40.51 113.38 67.12 39.73 113.90 67.26 38.63 113.64 68.14 40.82 113.21 69.52 40.33 3 0 16.73-999 ?-999 ?-999 ? O2 PG5 I 166 mVAL^I 109 112.56 66.11 40.02 112.13 66.18 40.92 110.81 64.98 38.68 109.94 64.81 39.53 112.30 65.00 39.10 112.66 63.65 39.75 3 0 13.99-999 ?-999 ?-999 ? C2 PG5 I 166 mALA^I 110 110.54 65.14 37.39 111.36 65.24 36.82 108.65 63.72 37.05 109.29 62.75 36.56 109.16 65.16 36.88 109.10 65.65 35.40 2 0 10.71-999 ?-999 ?-999 ? O2 PG5 I 166 mSER^I 111 107.59 63.56 37.85 107.10 64.40 38.07 105.71 62.00 38.26 104.93 62.91 38.57 107.20 62.23 38.34 107.59 62.04 39.83 2 0 11.33-999 ?-999 ?-999 ? C2 PG5 A 166 mVAL^I 112 105.31 60.78 37.94 106.00 60.20 37.51 103.87 60.10 39.76 104.89 59.83 40.39 103.93 60.37 38.24 103.41 59.14 37.44 3 0 9.47-999 ?-999 ?-999 ? C3 PG5 A 166 mPRO^I 113 102.68 60.20 40.35 101.91 60.34 39.73 102.89 58.75 42.41 103.11 58.67 43.61 102.55 60.11 41.80 101.09 60.48 42.04 3 0 6.92-999 ?-999 ?-999 ? C3 PG5 A 166 mGLU^I 114 102.90 57.70 41.60 102.57 57.91 40.67 104.86 56.21 41.98 105.40 55.24 42.51 103.34 56.36 42.03 102.68 55.26 41.20 2 0 -4.01-999 ?-999 ?-999 ? C3 PG5 A 166s mPHE^I 115 105.54 57.16 41.34 104.98 57.89 40.95 107.62 57.67 42.50 107.35 58.82 42.85 107.00 57.09 41.24 107.54 57.76 40.00 3 0 5.82-999 ?-999 ?-999 ? C2 PG5 A 166 mVAL^I 116 108.44 56.85 43.19 108.65 55.99 42.73 110.46 56.95 44.67 110.96 56.75 45.77 108.96 57.22 44.51 108.12 56.52 45.63 3 0 5.65-999 ?-999 ?-999 ? C2 PG5 A 166 mGLU^I 117 111.18 56.97 43.56 110.65 57.15 42.73 113.39 57.93 43.03 114.42 57.81 42.36 112.63 56.73 43.58 112.97 55.45 42.83 2 0 8.74-999 ?-999 ?-999 ? C2 PG5 A 166 mGLN^I 118 112.91 59.11 43.40 112.08 59.07 43.95 115.03 60.41 43.55 115.90 60.99 42.91 113.59 60.34 43.01 112.82 61.58 43.43 2 0 11.41-999 ?-999 ?-999 ? C2 PG5 A 166 mHIS^I 119 115.27 59.83 44.72 114.44 59.48 45.15 117.57 58.97 44.34 118.71 59.38 44.10 116.65 59.74 45.28 116.65 59.13 46.68 3 0 13.32-999 ?-999 ?-999 ? C1 PG5 A 166 mLEU^I 120 117.08 57.88 43.76 116.14 57.65 44.02 118.17 57.88 41.55 119.26 57.76 40.94 117.87 57.09 42.82 117.13 55.81 42.48 3 0 13.85-999 ?-999 ?-999 ? C1 PG5 A 166 mVAL^I 121 117.19 58.69 41.13 116.37 58.67 41.70 118.46 60.55 40.16 119.36 60.69 39.35 117.37 59.52 39.94 116.04 60.19 39.53 3 0 15.01-999 ?-999 ?-999 ? C2 PG5 A 166 mILE^I 122 118.38 61.25 41.28 117.63 60.98 41.88 120.70 61.74 41.89 121.71 62.40 41.68 119.32 62.32 41.56 118.80 63.27 42.67 3 0 17.46-999 ?-999 ?-999 ? C2 PG5 A 166 mASN^I 123 120.75 60.48 42.33 119.85 60.08 42.54 122.87 59.84 41.19 124.10 59.86 41.28 122.04 59.79 42.47 121.89 58.34 42.92 2 0 18.61-999 ?-999 ?-999 ? C1 PG5 A 166 mGLY^I 124 122.22 59.87 40.01 121.24 59.69 40.10 123.82 61.39 38.81 125.01 61.35 38.46 122.91 60.15 38.72-999.99-999.99-999.99 1 0 18.74-999 ?-999 ?-999 ? C1 PG5 I 166 mALA^I 125 123.28 62.49 39.31 122.33 62.37 39.61 125.02 63.61 40.56 126.21 63.88 40.41 124.01 63.76 39.42 123.04 64.95 39.67 2 0 20.13-999 ?-999 ?-999 ? C1 PG5 I 166 mSER^I 126 124.55 63.19 41.73 123.59 62.90 41.72 126.67 62.33 42.66 127.78 62.74 43.01 125.43 63.16 42.90 124.69 62.65 44.14 2 0 22.91-999 ?-999 ?-999 ? C1 PG5 A 166 mASN^I 127 126.49 61.14 42.06 125.54 60.94 41.83 128.62 60.85 40.80 129.85 60.76 40.97 127.61 60.23 41.79 127.07 58.92 41.24 2 0 23.97-999 ?-999 ?-999 ? C1 PG5 A 166 mLEU^I 128 128.09 61.51 39.79 127.09 61.54 39.80 129.72 63.26 39.39 130.93 63.34 39.22 128.90 62.13 38.77 128.03 62.60 37.57 3 0 23.45-999 ?-999 ?-999 ? C1 PG5 I 166 mILE^I 129 129.05 64.13 40.13 128.07 63.94 40.20 130.78 64.85 41.83 131.89 65.40 41.81 129.73 65.26 40.79 128.70 66.20 41.44 3 0 25.57-999 ?-999 ?-999 ? C1 PG5 I 166 mALA^I 130 130.45 63.91 42.71 129.50 63.60 42.64 132.60 62.69 43.01 133.76 62.88 43.47 131.41 63.39 43.68 130.74 62.46 44.66 2 0 28.24-999 ?-999 ?-999 ? C1 PG5 A 166 mTHR^I 131 132.35 61.95 41.92 131.38 61.88 41.69 134.45 62.24 40.55 135.65 62.03 40.69 133.42 61.28 41.17 132.87 60.35 40.07 2 0 28.53-999 ?-999 ?-999 ? C1 PG5 I 166 mVAL^I 132 133.97 63.26 39.86 132.97 63.31 39.90 135.54 65.16 40.04 136.70 65.53 39.76 134.79 64.20 39.11 133.90 64.93 38.06 3 0 28.83-999 ?-999 ?-999 ? C1 PG5 I 166 mLEU^I 133 134.91 65.52 41.17 134.03 65.07 41.31 136.11 65.89 43.33 136.84 66.57 44.03 135.46 66.49 42.11 134.37 67.47 42.56 3 0 31.18-999 ?-999 ?-999 ? C1 PG5 I 166 mGLY^I 134 135.85 64.63 43.61 135.32 64.15 42.91 135.55 64.52 46.07 134.37 64.90 45.97 136.29 64.02 44.85-999.99-999.99-999.99 1 0 32.87-999 ?-999 ?-999 ? C1 PG5 A 166 mGLU^I 135 136.22 64.52 47.23 137.19 64.25 47.15 134.86 66.23 48.43 133.75 66.35 48.96 135.58 64.88 48.50 136.56 64.85 49.69 2 0 32.45-999 ?-999 ?-999 ? C1 PG5 A 166 mPRO^I 136 135.48 67.25 47.82 136.41 67.07 47.49 133.45 68.46 46.91 132.62 69.36 47.08 134.79 68.54 47.67 135.79 69.38 46.88 3 0 33.29-999 ?-999 ?-999 ? C1 PG5 A 166 mGLY^I 137 133.26 67.43 46.09 134.04 66.82 46.00 130.84 66.71 46.26 129.68 66.76 45.83 131.99 67.22 45.40-999.99-999.99-999.99 1 0 30.25-999 ?-999 ?-999 ? C1 PG5 A 166 mARG^I 138 131.13 66.21 47.46 132.10 66.25 47.69 129.28 66.77 48.95 129.79 67.70 49.56 130.11 65.66 48.34 130.76 64.76 49.40 2 0 27.82-999 ?-999 ?-999 ? C1 PG5 A 166 mHIS^I 139 127.97 66.67 48.79 127.67 65.75 48.53 125.82 67.39 49.75 125.46 66.19 49.77 127.05 67.79 48.98 126.58 68.29 47.60 3 0 26.36-999 ?-999 ?-999 ? C1 PG5 A 166 mALA^I 140 125.18 68.39 50.37 125.74 69.21 50.45 122.85 68.25 49.69 123.20 68.68 48.57 123.81 68.27 50.89 123.45 69.39 51.83 2 0 24.29-999 ?-999 ?-999 ? C1 PG5 A 166 mARG^I 141 121.62 67.76 49.92 121.38 67.59 50.88 119.27 67.50 49.20 118.96 67.14 50.33 120.73 67.53 48.79 121.03 66.14 48.20 2 0 21.30-999 ?-999 ?-999 ? C1 PG5 A 166 mALA^I 142 118.41 67.85 48.25 118.82 68.39 47.51 116.64 66.82 46.97 117.19 67.17 45.92 117.00 67.49 48.30 116.12 68.68 48.54 2 0 18.75-999 ?-999 ?-999 ? C1 PG5 A 166 mALA^I 143 115.73 65.86 47.02 115.39 65.68 47.94 113.76 65.02 45.96 113.26 64.46 46.93 115.28 65.14 45.84 115.92 63.77 45.76 2 0 15.66-999 ?-999 ?-999 ? C2 PG5 A 166 mVAL^I 144 113.04 65.54 44.97 113.59 65.77 44.16 110.92 65.46 43.73 111.53 65.66 42.65 111.59 65.73 45.08 111.29 67.14 45.61 3 0 13.92-999 ?-999 ?-999 ? C2 PG5 A 166 mGLY^I 145 109.66 65.02 43.78 109.31 64.89 44.71 107.97 65.90 42.20 107.11 66.32 42.99 108.88 64.75 42.58-999.99-999.99-999.99 1 0 12.17-999 ?-999 ?-999 ? C2 PG5 A 166 mMETI 146 108.14 66.39 40.96 108.81 65.87 40.43 106.31 67.06 39.47 106.37 65.98 38.90 107.43 67.54 40.40 108.39 68.40 39.58 2 0 13.84-999 ?-999 ?-999 ? C6 PG5 I 166 mALA^I 147 105.30 67.88 39.29 105.35 68.72 39.84 104.74 67.61 36.91 104.31 66.83 36.09 104.21 67.57 38.37 103.06 68.56 38.58 2 0 11.29-999 ?-999 ?-999 ? C6 PG5 I 166 mSER^I 148 105.65 68.54 36.62 105.92 69.10 37.40 107.30 69.79 35.41 107.42 70.43 36.46 106.20 68.74 35.29 105.14 69.20 34.30 2 0 8.67-999 ?-999 ?-999 ? C6 PG5 I 166 mLEU^I 149 108.07 69.96 34.32 107.78 69.41 33.53 109.27 71.58 32.96 108.72 71.10 31.97 109.21 70.86 34.28 110.53 70.11 34.54 3 0 9.62-999 ?-999 ?-999 ? C7 PG5 I 166 mPRO^I 150 109.96 72.75 32.93 110.29 73.08 33.81 110.67 72.56 30.51 111.57 71.69 30.72 110.17 73.47 31.65 111.22 74.52 32.02 3 0 9.25-999 ?-999 ?-999 ? C7 PG5 I 166 mPHE^I 151 110.05 72.71 29.33 109.30 73.37 29.37 110.20 70.47 28.22 110.71 69.70 27.43 110.44 71.97 28.11 111.89 72.29 27.71 3 0 7.24-999 ?-999 ?-999 ? C7 PG5 I 166 mASN^I 152 109.41 70.09 29.22 109.04 70.84 29.76 110.34 67.95 29.92 110.40 66.73 29.79 109.11 68.70 29.50 108.44 68.04 28.29 2 0 -5.87-999 ?-999 ?-999 ? C7 PG5 I 166s mALA^I 153 111.33 68.67 30.47 111.19 69.66 30.46 112.09 67.01 32.08 111.19 67.31 32.90 112.53 68.01 31.01 113.49 69.03 31.60 2 0 8.87-999 ?-999 ?-999 ? C2 PG5 I 166 mSER^I 154 112.77 65.88 32.12 113.46 65.78 31.41 113.10 65.26 34.50 112.59 64.84 35.53 112.51 64.87 33.15 113.00 63.48 32.71 2 0 8.73-999 ?-999 ?-999 ? C1 PG5 I 166 mVAL^I 155 114.19 66.04 34.47 114.48 66.32 33.56 115.43 67.87 35.49 115.80 68.27 34.36 114.90 66.43 35.68 116.13 65.49 35.99 3 0 12.42-999 ?-999 ?-999 ? C1 PG5 I 166 mGLU^I 156 115.45 68.61 36.58 114.97 68.19 37.34 116.82 69.99 38.02 116.31 69.52 39.06 116.09 69.91 36.66 115.06 71.03 36.58 2 0 15.39-999 ?-999 ?-999 ? C1 PG5 I 166 mILE^I 157 118.00 70.57 38.00 118.23 71.02 37.14 119.56 71.88 39.30 120.19 72.32 38.34 118.85 70.54 39.20 119.94 69.41 39.17 3 0 18.82-999 ?-999 ?-999 ? C1 PG5 I 166 mASP^I 158 119.42 72.52 40.46 118.78 72.10 41.10 121.23 73.43 41.81 121.31 72.30 42.33 120.16 73.74 40.76 119.23 74.91 41.12 2 0 22.08-999 ?-999 ?-999 ? C7 PG5 I 166 mALA^I 159 122.08 74.42 42.09 121.87 75.30 41.65 123.68 75.45 43.66 123.52 76.55 43.16 123.21 74.18 42.97 124.38 73.57 42.19 2 0 25.52-999 ?-999 ?-999 ? C1 PG5 I 166 mILE^I 160 124.27 75.24 44.83 124.15 74.31 45.17 126.42 75.66 45.77 126.57 74.53 46.25 125.02 76.26 45.54 124.40 76.60 46.90 3 0 29.28-999 ?-999 ?-999 ? C1 PG5 I 166 mVAL^I 161 127.44 76.43 45.38 127.17 77.35 45.09 129.66 77.03 46.12 129.53 78.23 45.87 128.81 75.96 45.40 129.32 75.75 43.95 3 0 31.24-999 ?-999 ?-999 ? C1 PG5 I 166 mGLU^I 162 130.49 76.60 47.05 130.40 75.62 47.25 132.67 77.54 46.86 133.19 76.48 46.46 131.43 77.50 47.72 131.76 76.99 49.11 2 0 35.05-999 ?-999 ?-999 ? C1 PG5 I 166 mILE^I 163 133.15 78.74 46.56 132.70 79.50 47.04 135.35 79.70 46.23 135.14 80.35 47.26 134.23 78.92 45.60 133.74 79.61 44.33 3 0 36.32-999 ?-999 ?-999 ? C1 PG5 I 166 mASP^I 164 136.52 79.63 45.59 136.51 78.96 44.84 137.67 81.88 45.44 137.05 82.17 44.42 137.71 80.44 45.96 138.96 79.75 45.45 2 0 39.68-999 ?-999 ?-999 ? C1 PG5 I 166 mGLU^J 3 112.92 7.26 45.19 112.83 6.95 44.24 114.50 7.68 47.13 115.01 8.70 47.60 113.06 7.73 46.60 112.13 6.94 47.52 2 0 45.39-999 ?-999 ?-999 ? C1 PG5 L 166 mASN^J 4 115.17 6.52 47.04 114.65 5.77 46.63 117.49 7.37 46.79 118.45 7.90 47.36 116.56 6.41 47.54 117.11 4.97 47.43 2 0 45.53-999 ?-999 ?-999 ? C2 PG5 J 166 mLEU^J 5 117.20 7.57 45.51 116.37 7.10 45.19 117.90 9.86 45.06 118.90 10.58 45.14 118.04 8.41 44.65 117.67 8.22 43.17 3 0 45.52-999 ?-999 ?-999 ? C2 PG5 J 166 mTYR^J 6 116.67 10.28 45.30 115.96 9.59 45.14 117.12 11.91 47.06 117.84 12.90 47.17 116.37 11.62 45.76 114.87 11.79 45.96 3 0 42.45-999 ?-999 ?-999 ? O1 PG5 A 166 mPHE^J 7 116.98 11.02 48.03 116.37 10.26 47.82 119.19 11.15 49.13 119.89 11.95 49.75 117.69 11.19 49.29 117.24 10.16 50.32 3 0 41.70-999 ?-999 ?-999 ? C2 PG5 J 166 mGLN^J 8 119.67 10.23 48.29 118.99 9.59 47.94 121.52 11.56 47.36 122.59 12.07 47.69 121.09 10.20 47.93 121.40 9.09 46.92 2 0 40.70-999 ?-999 ?-999 ? C2 PG5 J 166 mGLY^J 9 120.69 12.12 46.49 119.86 11.59 46.30 121.02 14.56 46.89 121.96 15.35 46.90 120.97 13.41 45.88-999.99-999.99-999.99 1 0 40.86-999 ?-999 ?-999 ? O1 PG5 J 166 mMETJ 10 119.98 14.64 47.73 119.26 13.97 47.55 121.19 15.59 49.69 121.78 16.63 50.01 119.93 15.64 48.80 118.68 15.42 49.65 2 0 38.89-999 ?-999 ?-999 ? O1 PG5 J 166 mSER^J 11 121.61 14.39 50.06 121.02 13.64 49.75 124.07 14.70 50.12 124.95 15.33 50.71 122.85 14.21 50.85 123.06 12.75 51.22 2 0 36.07-999 ?-999 ?-999 ? O1 PG5 J 166 mASP^J 12 124.15 14.41 48.81 123.40 13.86 48.45 125.34 16.39 48.02 126.44 16.94 48.04 125.27 14.88 48.01 125.16 14.43 46.55 2 0 36.17-999 ?-999 ?-999 ? O1 PG5 J 166 mVAL^J 13 124.17 17.03 47.95 123.38 16.42 47.92 124.51 19.07 49.26 125.24 20.04 49.28 124.05 18.48 47.92 122.61 18.94 47.64 3 0 35.87-999 ?-999 ?-999 ? O1 PG5 J 166 mILE^J 14 124.07 18.45 50.34 123.50 17.66 50.14 125.97 18.87 51.85 126.64 19.87 52.15 124.44 18.93 51.70 123.72 18.12 52.82 3 0 32.87-999 ?-999 ?-999 ? O1 PG5 J 166 mGLU^J 15 126.55 17.71 51.60 125.92 16.97 51.37 128.80 18.40 50.68 129.94 18.81 50.95 128.01 17.57 51.69 128.43 16.11 51.58 2 0 30.95-999 ?-999 ?-999 ? O1 PG5 J 166 mGLY^J 16 128.21 18.65 49.51 127.34 18.17 49.38 128.85 20.98 49.00 129.88 21.66 48.85 128.80 19.54 48.54-999.99-999.99-999.99 1 0 32.23-999 ?-999 ?-999 ? O1 PG5 J 166 mARG^J 17 127.75 21.44 49.59 126.96 20.82 49.58 128.82 22.91 51.28 129.45 23.94 51.37 127.74 22.76 50.18 126.37 23.09 50.75 2 0 30.92-999 ?-999 ?-999 ? O1 PG5 J 166 mLEU^J 18 129.03 21.87 52.06 128.43 21.09 51.88 131.47 21.97 52.50 132.32 22.72 52.98 130.07 21.89 53.11 129.94 20.64 53.99 3 0 27.41-999 ?-999 ?-999 ? O1 PG5 J 166 mLYS^J 19 131.70 21.22 51.43 130.96 20.60 51.18 133.16 22.74 50.13 134.26 23.27 50.18 132.96 21.33 50.69 133.01 20.29 49.57 2 0 27.80-999 ?-999 ?-999 ? O1 PG5 J 166 mGLU^J 20 132.10 23.38 49.65 131.26 22.83 49.63 132.59 25.73 50.32 133.20 26.75 50.03 132.19 24.76 49.21 130.87 25.24 48.62 2 0 28.83-999 ?-999 ?-999 ? O1 PG5 J 166 mLEU^J 21 132.23 25.44 51.56 131.63 24.64 51.63 134.14 25.93 53.14 134.70 26.63 54.01 132.70 26.24 52.71 131.79 26.02 53.90 3 0 25.51-999 ?-999 ?-999 ? O1 PG5 J 166 mGLY^J 22 134.73 24.90 52.56 134.14 24.40 51.94 136.33 23.30 53.70 137.47 22.98 54.06 136.12 24.52 52.82-999.99-999.99-999.99 1 0 23.82-999 ?-999 ?-999 ? O1 PG5 J 166 mPHE^J 23 135.25 22.59 54.03 134.40 22.92 53.62 134.96 20.09 54.27 133.98 20.00 53.56 135.34 21.43 54.91 134.46 21.65 56.14 3 0 23.10-999 ?-999 ?-999 ? O1 PG5 J 166 mTHR^J 24 135.72 19.05 54.57 136.61 19.29 54.97 134.91 17.06 55.66 135.54 17.36 56.68 135.27 17.68 54.32 136.37 16.84 53.65 2 0 24.91-999 ?-999 ?-999 ? O1 PG5 J 166 mLEU^J 25 133.90 16.18 55.65 133.46 16.07 54.76 134.58 14.44 57.26 135.08 13.69 56.42 133.51 15.45 56.85 132.17 14.70 56.64 3 0 25.01-999 ?-999 ?-999 ? O1 PG5 J 166 mPRO^J 26 134.96 14.44 58.55 134.63 15.20 59.11 135.04 12.04 59.16 133.81 12.04 59.19 135.81 13.36 59.06 136.22 13.88 60.46 3 0 23.47-999 ?-999 ?-999 ? C2 PG5 J 166 mVAL^J 27 135.76 10.93 59.19 136.74 11.05 59.03 134.45 9.71 60.86 134.98 10.37 61.77 135.11 9.65 59.47 136.09 8.46 59.44 3 0 25.89-999 ?-999 ?-999 ? C2 PG5 J 166 mALA^J 33 133.44 3.02 73.93 133.41 2.66 73.00 132.09 3.31 75.93 131.16 2.88 75.23 133.47 3.54 75.30 133.86 5.05 75.28 2 0 23.11-999 ?-999 ?-999 ? C8 PG5 J 166 mASN^J 34 131.96 3.60 77.24 132.80 3.89 77.68 129.71 4.65 77.68 128.52 4.64 78.10 130.67 3.48 77.94 130.91 3.29 79.43 2 0 24.53-999 ?-999 ?-999 ? C7 PG5 J 166 mTYR^J 35 130.24 5.67 77.01 131.24 5.66 76.99 129.69 6.62 74.86 130.75 6.17 74.39 129.43 6.69 76.36 129.68 8.08 76.93 3 0 23.18-999 ?-999 ?-999 ? C7 PG5 J 166 mVAL^J 36 128.68 7.02 74.12 127.92 7.41 74.65 128.49 8.29 72.04 127.96 9.20 72.67 128.66 6.90 72.68 127.52 5.95 72.27 3 0 24.34-999 ?-999 ?-999 ? C7 PG5 J 166 mPRO^J 37 128.90 8.44 70.76 129.31 7.62 70.36 127.32 10.17 69.83 127.10 11.34 69.64 128.74 9.70 70.04 129.40 9.44 68.68 3 0 23.52-999 ?-999 ?-999 ? C7 PG5 J 166 mPHE^J 38 126.37 9.23 69.81 126.69 8.29 69.89 124.06 8.47 70.17 124.45 7.28 70.28 124.98 9.59 69.67 124.67 9.96 68.20 3 0 26.61-999 ?-999 ?-999 ? C7 PG5 J 166 mTHR^J 39 122.84 8.89 70.49 122.76 9.88 70.51 120.46 8.48 70.06 120.36 9.63 69.69 121.72 7.98 70.78 121.41 7.92 72.31 2 0 29.68-999 ?-999 ?-999 ? C7 PG5 J 166 mILE^J 40 119.49 7.59 69.87 119.71 6.66 70.18 117.11 7.52 70.15 117.14 6.39 70.67 118.23 7.98 69.25 118.10 7.36 67.86 3 0 33.05-999 ?-999 ?-999 ? C7 PG5 J 166 mSER^J 41 116.15 8.41 70.38 116.38 9.33 70.06 113.79 8.56 70.15 113.69 9.75 69.88 114.90 8.06 71.04 114.80 8.70 72.43 2 0 35.41-999 ?-999 ?-999 ? C7 PG5 J 166 mGLY^J 42 112.97 7.63 69.64 113.13 6.69 69.93 112.55 8.60 67.48 113.39 7.96 66.84 111.93 8.03 68.73-999.99-999.99-999.99 1 0 38.64-999 ?-999 ?-999 ? C7 PG5 J 166 mASN^J 43 112.16 9.82 67.14 111.47 10.23 67.74 113.68 11.61 66.40 113.92 12.51 65.62 112.72 10.49 65.98 111.64 11.03 65.04 2 0 37.96-999 ?-999 ?-999 ? C7 PG5 J 166 mLEU^J 44 114.17 11.55 67.64 113.80 10.80 68.19 116.54 11.84 68.26 116.68 10.79 68.89 115.17 12.52 68.12 114.72 13.16 69.44 3 0 34.44-999 ?-999 ?-999 ? C7 PG5 J 166 mLEU^J 45 117.53 12.48 67.63 117.20 13.27 67.12 119.68 13.13 68.57 119.65 14.34 68.33 118.95 12.12 67.67 119.55 12.17 66.27 3 0 31.38-999 ?-999 ?-999 ? C7 PG5 J 166 mTYR^J 46 120.25 12.59 69.64 120.07 11.61 69.70 122.54 13.00 70.29 123.01 11.87 70.41 121.07 13.29 70.61 120.79 12.76 72.00 3 0 28.12-999 ?-999 ?-999 ? C7 PG5 J 166 mVAL^J 47 123.24 14.04 69.89 122.73 14.90 69.86 125.46 14.45 70.72 125.18 15.55 71.28 124.64 13.93 69.53 124.96 14.77 68.26 3 0 25.16-999 ?-999 ?-999 ? C7 PG5 J 166 mSER^J 48 126.45 13.67 71.11 126.48 12.81 70.60 128.16 15.33 71.84 128.32 15.71 70.69 127.39 14.02 72.16 128.38 12.90 72.40 2 0 21.81-999 ?-999 ?-999 ? C7 PG5 J 166 mGLY^J 49 128.65 15.99 72.88 128.38 15.61 73.77 130.64 16.87 71.79 131.37 15.91 72.02 129.50 17.16 72.71-999.99-999.99-999.99 1 0 18.72-999 ?-999 ?-999 ? C7 PG5 J 166 mGLN^J 50 130.77 17.67 70.74 130.06 18.37 70.66 132.87 18.66 70.01 132.49 19.80 70.29 131.86 17.53 69.79 131.35 17.55 68.35 2 0 17.91-999 ?-999 ?-999 ? C7 PG5 J 166 mLEU^J 51 134.13 18.32 69.80 134.22 17.35 69.54 135.76 19.59 68.53 135.33 18.97 67.55 135.28 19.22 69.92 136.38 18.51 70.71 3 0 14.69-999 ?-999 ?-999 ? C2 PG5 J 166 mPRO^J 52 136.62 20.63 68.42 136.94 21.00 69.29 138.13 20.28 66.49 139.25 20.75 66.32 137.04 21.14 67.12 137.54 22.57 67.43 3 0 13.64-999 ?-999 ?-999 ? C2 PG5 J 166 mMETJ 53 137.78 19.04 66.15 136.81 18.85 66.31 138.90 18.31 64.11 137.91 18.47 63.38 138.71 18.05 65.60 138.15 16.62 65.72 2 0 15.11-999 ?-999 ?-999 ? C2 PG5 J 166 mGLU^J 54 140.16 18.32 63.68 140.83 18.24 64.42 141.78 17.55 62.10 142.72 17.64 62.90 140.53 18.42 62.27 140.83 19.87 61.92 2 0 16.26-999 ?-999 ?-999 ? O1 PG5 J 166 mSER^J 55 141.77 16.67 61.10 140.95 16.69 60.53 143.25 14.99 62.16 144.43 14.81 62.48 142.89 15.74 60.88 144.13 16.50 60.39 2 0 18.04-999 ?-999 ?-999 ? C1 PG5 J 166 mGLY^J 56 142.24 14.60 62.93 141.34 14.91 62.62 143.01 14.55 65.33 143.32 13.92 66.35 142.45 13.80 64.13-999.99-999.99-999.99 1 0 17.41-999 ?-999 ?-999 ? C8 PG5 J 166 mLYS^J 57 143.10 15.87 65.26 142.80 16.26 64.39 142.71 17.81 66.77 141.96 18.32 65.94 143.62 16.65 66.39 144.99 17.23 66.03 2 0 13.68-999 ?-999 ?-999 ? C2 PG5 J 166 mILE^J 58 142.79 18.23 68.03 143.41 17.70 68.61 142.68 20.62 67.88 143.79 21.01 68.28 142.03 19.39 68.49 142.02 19.59 70.03 3 0 10.94-999 ?-999 ?-999 ? C2 PG5 J 166 mALA^J 59 141.99 21.25 66.95 141.04 20.95 66.88 142.68 23.67 66.76 143.51 24.50 66.35 142.57 22.29 66.10 141.76 22.40 64.83 2 0 10.50-999 ?-999 ?-999 ? O1 PG5 J 166 mVAL^J 60 141.84 23.93 67.75 141.25 23.17 68.02 141.70 25.01 69.89 140.77 24.39 70.37 141.81 25.23 68.37 140.63 26.10 67.90 3 0 8.02-999 ?-999 ?-999 ? O1 PG5 J 166 mTHR^J 61 142.67 25.52 70.62 143.33 26.08 70.10 142.96 26.56 72.85 143.47 27.56 72.36 142.75 25.28 72.05 143.91 24.35 72.44 2 0 5.08-999 ?-999 ?-999 ? C2 PG5 J 166 mGLY^J 62 142.55 26.51 74.10 142.12 25.64 74.35 141.48 28.50 75.15 140.40 28.21 74.56 142.72 27.64 75.00-999.99-999.99-999.99 1 0 4.05-999 ?-999 ?-999 ? C2 PG5 J 166 mLEU^J 63 141.61 29.51 75.98 142.53 29.61 76.35 140.26 31.54 75.37 141.16 32.31 75.03 140.50 30.40 76.32 140.69 30.99 77.72 3 0 7.08-999 ?-999 ?-999 ? O2 PG5 J 166 mVAL^J 64 139.00 31.69 74.96 138.37 30.97 75.27 138.73 34.12 74.98 138.19 34.21 76.10 138.64 32.85 74.13 137.27 32.72 73.44 3 0 9.88-999 ?-999 ?-999 ? O1 PG5 J 166 mGLY^J 65 139.42 35.12 74.42 139.69 34.95 73.48 141.10 36.29 75.78 141.55 37.28 76.34 139.73 36.34 75.13-999.99-999.99-999.99 1 0 7.94-999 ?-999 ?-999 ? C4 PG5 J 167 mARG^J 66 141.79 35.15 75.68 141.31 34.41 75.21 144.08 34.40 75.22 145.02 35.06 74.78 143.13 35.01 76.22 143.17 34.23 77.53 2 0 -4.68-999 ?-999 ?-999 ? C4 PG5 J 167s mASP^J 67 143.78 33.18 74.81 142.93 32.84 75.20 144.12 32.50 72.44 144.93 32.31 71.51 144.59 32.40 73.89 144.60 30.96 74.33 2 0 5.16-999 ?-999 ?-999 ? O1 PG5 J 166 mVAL^J 68 142.82 32.71 72.26 142.31 32.84 73.11 141.28 33.93 70.82 140.63 34.35 71.80 142.22 32.74 70.94 141.53 31.40 70.59 3 0 7.41-999 ?-999 ?-999 ? O1 PG5 J 166 mASP^J 69 141.22 34.50 69.62 141.86 34.12 68.95 138.98 35.04 68.76 138.82 33.83 68.55 140.29 35.58 69.34 140.91 36.62 68.43 2 0 10.07-999 ?-999 ?-999 ? C1 PG5 J 167 mVAL^J 70 138.05 35.95 68.50 138.33 36.90 68.64 136.77 34.82 66.72 136.12 33.80 66.54 136.73 35.55 68.06 135.75 36.73 68.00 3 0 13.37-999 ?-999 ?-999 ? C1 PG5 J 167 mALA^J 71 137.57 35.30 65.79 138.07 36.12 66.07 138.18 33.20 64.58 137.64 32.26 63.96 137.68 34.65 64.46 138.60 35.48 63.56 2 0 14.81-999 ?-999 ?-999 ? O1 PG5 J 166 mSER^J 72 139.21 32.99 65.39 139.58 33.80 65.85 138.69 30.80 66.27 138.54 29.61 65.97 139.73 31.65 65.55 141.05 31.65 66.29 2 0 11.61-999 ?-999 ?-999 ? O1 PG5 J 166 mALA^J 73 138.01 31.36 67.27 138.25 32.31 67.46 135.80 30.22 67.08 135.21 29.14 67.21 136.98 30.60 68.00 136.49 31.39 69.21 2 0 11.97-999 ?-999 ?-999 ? O1 PG5 J 166 mGLN^J 74 135.45 31.10 66.15 135.95 31.97 66.20 134.80 29.57 64.27 133.97 28.71 63.96 134.41 30.78 65.14 134.13 32.02 64.29 2 0 15.61-999 ?-999 ?-999 ? O1 PG5 J 166 mARG^J 75 136.06 29.49 63.88 136.61 30.30 64.09 136.48 27.06 64.08 136.13 25.98 63.59 136.58 28.32 63.22 138.03 28.58 62.83 2 0 14.87-999 ?-999 ?-999 ? O1 PG5 J 166 mALA^J 76 136.78 27.17 65.37 137.15 28.06 65.64 135.10 25.60 66.27 134.80 24.42 66.16 136.56 26.04 66.30 136.96 26.40 67.73 2 0 13.07-999 ?-999 ?-999 ? O1 PG5 J 166 mALA^J 77 134.20 26.58 66.34 134.60 27.49 66.38 132.35 25.64 65.00 131.58 24.67 64.99 132.76 26.32 66.35 132.01 27.58 66.56 2 0 16.27-999 ?-999 ?-999 ? C2 PG5 J 166 mGLU^J 78 132.88 26.13 63.89 133.41 26.96 64.03 133.12 24.00 62.61 132.37 23.12 62.18 132.67 25.46 62.58 133.41 26.19 61.44 2 0 18.43-999 ?-999 ?-999 ? O1 PG5 J 166 mLEU^J 79 134.32 23.75 63.13 134.83 24.56 63.41 133.95 21.52 64.18 133.68 20.37 63.86 134.83 22.40 63.27 136.30 22.45 63.71 3 0 17.07-999 ?-999 ?-999 ? O1 PG5 J 166 mCYH^J 80 133.46 22.08 65.29 133.76 23.02 65.47 131.30 20.89 65.36 130.83 19.77 65.50 132.56 21.32 66.16 132.12 22.15 67.38 2 0 17.50-999 ?-999 ?-999 ? C2 PG5 J 166 mALA^J 81 130.80 21.81 64.53 131.33 22.66 64.53 129.85 20.53 62.65 128.96 19.70 62.39 129.61 21.60 63.70 129.20 22.92 63.04 2 0 21.05-999 ?-999 ?-999 ? C2 PG5 J 166 mVAL^J 82 131.03 20.54 62.02 131.63 21.29 62.30 131.43 18.15 61.69 130.94 17.15 61.13 131.39 19.52 61.03 132.75 19.87 60.35 3 0 21.87-999 ?-999 ?-999 ? C2 PG5 J 166 mASN^J 83 131.99 18.09 62.90 132.40 18.94 63.23 130.59 16.40 64.06 130.29 15.20 63.97 132.00 16.86 63.68 132.95 16.94 64.87 2 0 21.03-999 ?-999 ?-999 ? C2 PG5 J 166 mILE^J 84 129.71 17.33 64.43 130.09 18.25 64.53 127.72 16.35 63.40 127.08 15.32 63.48 128.32 16.99 64.67 127.48 18.21 65.05 3 0 23.25-999 ?-999 ?-999 ? C2 PG5 J 166 mLEU^J 85 127.94 16.99 62.25 128.51 17.81 62.34 127.94 15.09 60.66 127.24 14.20 60.15 127.37 16.49 61.00 127.61 17.51 59.89 3 0 25.96-999 ?-999 ?-999 ? C2 PG5 J 166 mALA^J 86 129.21 14.89 60.93 129.70 15.69 61.26 129.08 12.50 61.57 128.76 11.40 61.09 129.81 13.56 60.74 131.30 13.59 61.09 2 0 25.76-999 ?-999 ?-999 ? C2 PG5 J 166 mGLN^J 87 128.78 12.81 62.84 129.08 13.71 63.15 126.63 11.63 63.18 126.16 10.49 63.18 128.05 11.86 63.67 128.01 12.34 65.12 2 0 26.21-999 ?-999 ?-999 ? C7 PG5 J 166 mVAL^J 88 125.95 12.70 62.79 126.45 13.56 62.92 124.57 11.71 60.99 123.68 10.84 60.88 124.60 12.62 62.23 123.99 14.03 61.93 3 0 29.22-999 ?-999 ?-999 ? C2 PG5 J 166 mLYS^J 89 125.53 11.89 60.09 126.15 12.64 60.31 125.79 9.58 59.26 125.13 8.72 58.67 125.64 11.04 58.88 126.82 11.47 58.04 2 0 30.84-999 ?-999 ?-999 ? C2 PG5 J 166 mALA^J 90 126.67 9.29 60.22 127.19 10.09 60.53 125.52 7.38 61.37 125.11 6.24 61.05 126.83 7.93 60.78 127.95 7.92 61.84 2 0 30.50-999 ?-999 ?-999 ? C7 PG5 J 166 mALA^J 91 124.85 8.19 62.19 125.32 9.05 62.37 122.50 7.49 61.68 121.65 6.61 61.92 123.55 7.85 62.76 123.02 9.02 63.63 2 0 31.63-999 ?-999 ?-999 ? C7 PG5 J 166 mLEU^J 92 122.53 8.21 60.55 123.32 8.82 60.49 121.98 7.26 58.33 121.46 7.36 57.18 121.50 8.12 59.50 121.11 9.52 59.00 3 0 34.77-999 ?-999 ?-999 ? C7 PG5 J 166 mASN^J 93 122.97 6.42 58.63 123.29 6.50 59.58 123.94 6.11 56.34 123.73 5.52 55.26 123.53 5.48 57.68 122.54 4.33 57.50 2 0 35.65-999 ?-999 ?-999 ? C7 PG5 J 166 mGLY^J 94 124.56 7.28 56.41 124.64 7.66 57.33 124.24 9.03 54.66 124.68 9.70 53.74 125.09 7.93 55.24-999.99-999.99-999.99 1 0 34.82-999 ?-999 ?-999 ? C2 PG5 J 166 mASP^J 95 123.03 9.23 55.20 122.83 8.65 55.99 121.78 11.42 55.50 120.84 11.38 56.31 122.12 10.23 54.63 120.83 9.56 54.21 2 0 35.93-999 ?-999 ?-999 ? C2 PG5 J 166 mLEU^J 96 122.51 12.51 55.26 123.23 12.35 54.58 120.95 14.41 55.44 120.39 15.26 56.12 122.29 13.79 55.90 123.46 14.72 55.61 3 0 33.55-999 ?-999 ?-999 ? C2 PG5 J 166 mSER^J 97 120.45 13.98 54.28 121.08 13.41 53.76 117.93 13.90 54.78 116.84 14.49 54.73 119.08 14.32 53.84 118.81 13.75 52.43 2 0 36.89-999 ?-999 ?-999 ? C2 PG5 J 166 mLYS^J 98 118.17 12.90 55.64 119.09 12.51 55.56 117.11 13.25 57.91 116.39 12.90 58.83 117.17 12.43 56.61 117.41 10.96 56.91 2 0 37.61-999 ?-999 ?-999 ? C2 PG5 J 166 mILE^J 99 117.86 14.34 57.96 118.58 14.38 57.27 116.31 16.10 58.63 116.19 16.67 57.53 117.61 15.38 58.97 118.76 16.45 59.03 3 0 35.09-999 ?-999 ?-999 ? C2 PG5 J 166 mARG^J 100 115.36 16.11 59.56 115.55 15.52 60.35 114.35 18.34 59.91 113.93 19.29 59.24 114.15 16.91 59.42 112.99 16.25 60.15 2 0 37.37-999 ?-999 ?-999 ? C2 PG5 J 166 mARG^J 101 115.00 18.48 61.06 115.31 17.62 61.46 116.32 19.61 62.71 116.31 18.65 63.47 115.22 19.78 61.68 113.95 20.25 62.40 2 0 34.04-999 ?-999 ?-999 ? O4 PG5 C 166 mVAL^J 102 117.28 20.53 62.71 117.31 21.12 61.90 117.42 21.38 64.92 117.04 22.55 64.75 118.21 20.65 63.84 119.49 21.41 63.45 3 0 30.87-999 ?-999 ?-999 ? O4 PG5 C 166 mILE^J 103 117.13 20.69 66.00 117.56 19.79 66.05 117.01 22.18 67.95 116.52 23.26 68.25 116.26 21.22 67.03 115.65 20.08 67.89 3 0 30.01-999 ?-999 ?-999 ? O4 PG5 C 166 mLYS^J 104 118.20 21.78 68.36 118.54 20.95 67.91 120.41 22.30 69.25 120.83 21.17 69.04 118.92 22.55 69.39 118.46 22.08 70.78 2 0 26.68-999 ?-999 ?-999 ? O4 PG5 C 166 mLEU^J 105 121.19 23.36 69.38 120.70 24.23 69.28 122.93 23.90 70.99 122.42 24.99 71.27 122.64 23.27 69.65 123.47 23.99 68.57 3 0 24.25-999 ?-999 ?-999 ? O4 PG5 C 166 mASN^J 106 123.77 23.25 71.79 123.98 22.31 71.50 125.82 24.15 72.74 126.60 23.22 72.56 124.33 23.88 72.99 124.14 23.01 74.21 2 0 21.91-999 ?-999 ?-999 ? O4 PG5 C 166 mGLY^J 107 126.17 25.43 72.71 125.42 26.06 72.94 128.23 26.37 73.64 127.86 27.40 74.25 127.51 25.89 72.39-999.99-999.99-999.99 1 0 19.26-999 ?-999 ?-999 ? O4 PG5 C 166 mPHE^J 108 129.28 25.65 73.99 129.47 24.91 73.34 131.39 26.47 74.71 132.08 25.88 73.89 130.07 25.86 75.17 130.30 24.53 75.86 3 0 16.71-999 ?-999 ?-999 ? C2 PG5 J 166 mVAL^J 109 131.70 27.67 75.17 131.05 28.03 75.84 133.81 28.63 75.96 133.43 29.30 76.90 132.89 28.39 74.74 132.52 29.74 74.14 3 0 13.89-999 ?-999 ?-999 ? C2 PG5 J 166 mALA^J 110 135.01 28.05 75.92 135.15 27.47 75.11 136.39 29.73 76.95 136.86 30.20 75.95 136.01 28.25 76.96 137.24 27.35 76.74 2 0 10.72-999 ?-999 ?-999 ? O2 PG5 J 166 mSER^J 111 136.14 30.45 78.05 135.95 29.88 78.85 136.86 32.49 79.28 136.72 31.97 80.39 136.14 31.94 78.06 134.69 32.50 78.13 2 0 11.34-999 ?-999 ?-999 ? C7 PG5 C 166 mVAL^J 112 137.62 33.57 79.12 137.90 33.75 78.18 136.67 35.16 80.72 135.77 35.34 79.88 137.95 34.38 80.33 139.15 35.30 80.12 3 0 9.48-999 ?-999 ?-999 ? C7 PG5 C 166 mPRO^J 113 136.54 35.57 82.01 137.33 35.38 82.60 135.02 37.60 81.83 133.89 38.08 81.92 135.30 36.24 82.47 135.53 36.42 83.97 3 0 7.06-999 ?-999 ?-999 ? C7 PG5 C 166 mGLU^J 114 136.01 38.21 81.19 136.89 37.75 81.26 135.31 39.19 79.03 134.93 40.13 78.34 135.79 39.45 80.45 137.06 40.31 80.41 2 0 -4.05-999 ?-999 ?-999 ? C7 PG5 C 166s mPHE^J 115 135.35 37.92 78.59 135.67 37.25 79.26 133.42 37.38 77.26 132.91 36.53 77.99 134.93 37.59 77.25 135.65 36.40 76.66 3 0 6.18-999 ?-999 ?-999 ? C7 PG5 C 166 mVAL^J 116 132.72 38.17 76.45 133.29 38.74 75.86 130.62 38.09 75.04 129.48 38.53 74.80 131.24 38.17 76.46 130.70 39.40 77.24 3 0 5.85-999 ?-999 ?-999 ? O4 PG5 C 166 mGLU^J 117 131.35 37.49 74.11 132.25 37.18 74.44 130.74 35.85 72.32 130.98 35.47 71.17 130.87 37.32 72.73 131.75 38.13 71.77 2 0 8.86-999 ?-999 ?-999 ? O4 PG5 C 166 mGLN^J 118 130.29 35.01 73.28 130.12 35.44 74.17 129.04 33.39 71.89 129.15 32.43 71.13 130.06 33.59 73.02 129.63 32.84 74.25 2 0 11.66-999 ?-999 ?-999 ? O4 PG5 C 166 mHIS^J 119 128.07 34.30 71.78 128.09 35.01 72.48 127.76 34.36 69.31 127.43 33.64 68.38 127.08 34.23 70.68 125.96 35.25 70.87 3 0 13.54-999 ?-999 ?-999 ? O4 PG5 C 166 mLEU^J 120 128.74 35.26 69.18 128.93 35.79 70.01 130.27 34.22 67.61 130.44 33.82 66.46 129.44 35.44 67.92 130.32 36.69 67.97 3 0 14.00-999 ?-999 ?-999 ? O4 PG5 C 166 mVAL^J 121 130.81 33.62 68.66 130.63 34.06 69.54 130.71 31.27 67.95 131.05 30.62 66.97 131.61 32.41 68.50 132.29 31.96 69.83 3 0 15.14-999 ?-999 ?-999 ? O4 PG5 C 166 mILE^J 122 129.56 31.06 68.56 129.34 31.72 69.28 128.03 30.23 66.81 127.67 29.30 66.11 128.71 29.95 68.16 127.71 29.57 69.28 3 0 17.63-999 ?-999 ?-999 ? O4 PG5 C 166 mASN^J 123 127.95 31.50 66.42 128.19 32.18 67.11 128.34 31.10 63.99 127.85 30.83 62.89 127.51 31.82 65.05 127.53 33.32 64.80 2 0 18.82-999 ?-999 ?-999 ? O4 PG5 C 166 mGLY^J 124 129.60 30.79 64.28 129.92 31.13 65.17 129.71 28.69 63.03 129.55 28.31 61.86 130.42 30.00 63.35-999.99-999.99-999.99 1 0 19.79-999 ?-999 ?-999 ? O1 PG5 J 166 mALA^J 125 129.23 28.02 64.08 129.42 28.47 64.95 127.13 26.98 63.34 126.77 26.28 62.38 128.51 26.75 63.96 128.39 26.05 65.36 2 0 21.09-999 ?-999 ?-999 ? O1 PG5 J 166 mSER^J 126 126.39 27.93 63.86 126.86 28.49 64.55 124.93 28.49 61.93 124.10 27.95 61.15 124.99 28.13 63.44 124.32 29.23 64.28 2 0 23.07-999 ?-999 ?-999 ? O4 PG5 C 166 mASN^J 127 125.82 29.40 61.52 126.40 29.75 62.25 126.25 28.65 59.17 125.66 28.49 58.07 125.90 29.81 60.10 126.90 30.97 59.95 2 0 24.23-999 ?-999 ?-999 ? O4 PG5 C 166 mLEU^J 128 127.21 27.84 59.58 127.62 28.11 60.45 126.46 25.67 58.63 126.17 25.22 57.53 127.62 26.67 58.81 128.85 26.01 59.44 3 0 24.59-999 ?-999 ?-999 ? O1 PG5 J 166 mILE^J 129 125.79 25.36 59.73 126.10 25.84 60.55 123.55 24.91 58.87 123.04 24.14 58.04 124.69 24.41 59.72 124.21 24.05 61.19 3 0 26.70-999 ?-999 ?-999 ? O1 PG5 J 166 mALA^J 130 123.18 26.18 59.03 123.72 26.69 59.68 122.39 26.87 56.80 121.53 26.66 55.94 122.05 26.74 58.28 121.61 28.06 58.85 2 0 28.62-999 ?-999 ?-999 ? O4 PG5 C 166 mTHR^J 131 123.66 27.14 56.50 124.24 27.29 57.30 124.04 25.85 54.38 123.51 25.79 53.26 124.12 27.20 55.10 125.53 27.75 55.01 2 0 29.61-999 ?-999 ?-999 ? O1 PG5 J 166 mVAL^J 132 124.51 24.78 55.01 124.80 24.95 55.95 123.24 22.76 54.35 122.98 21.97 53.45 124.58 23.49 54.34 125.74 22.59 54.87 3 0 30.06-999 ?-999 ?-999 ? O1 PG5 J 166 mLEU^J 133 122.38 23.04 55.34 122.69 23.75 55.97 119.93 23.13 54.97 118.86 22.56 54.73 121.11 22.32 55.44 120.84 21.89 56.90 3 0 32.31-999 ?-999 ?-999 ? O1 PG5 J 166 mGLY^J 134 120.10 24.43 54.82 121.06 24.73 54.91 118.10 25.50 55.75 118.53 25.40 56.91 119.02 25.35 54.56-999.99-999.99-999.99 1 0 31.34-999 ?-999 ?-999 ? C1 PG5 A 166 mGLU^J 135 116.81 25.73 55.47 116.60 25.73 54.50 115.76 24.87 57.59 115.64 25.20 58.77 115.81 25.96 56.51 114.40 26.14 55.91 2 0 30.09-999 ?-999 ?-999 ? C1 PG5 A 166 mPRO^J 136 115.82 23.58 57.20 115.83 23.40 56.22 117.02 22.75 59.27 116.94 22.26 60.39 115.88 22.55 58.27 116.08 21.23 57.52 3 0 33.71-999 ?-999 ?-999 ? C1 PG5 A 166 mGLY^J 137 118.07 23.46 58.85 118.00 23.78 57.90 119.03 24.79 60.77 119.87 24.90 61.68 119.21 23.72 59.71-999.99-999.99-999.99 1 0 30.64-999 ?-999 ?-999 ? O4 PG5 C 166 mARG^J 138 117.98 25.60 60.68 117.37 25.40 59.91 117.29 26.09 62.98 116.32 25.38 63.04 117.78 26.67 61.66 116.82 27.72 61.14 2 0 28.32-999 ?-999 ?-999 ? O4 PG5 C 166 mHIS^J 139 117.96 26.45 64.07 118.53 27.27 63.95 117.74 26.65 66.49 118.15 27.81 66.40 117.87 25.69 65.31 119.15 24.88 65.47 3 0 26.80-999 ?-999 ?-999 ? O4 PG5 C 166 mALA^J 140 117.15 26.16 67.58 116.67 25.29 67.43 118.65 26.64 69.38 119.37 25.74 68.96 117.22 26.82 68.86 116.25 26.25 69.85 2 0 24.79-999 ?-999 ?-999 ? O4 PG5 C 166 mARG^J 141 119.02 27.45 70.36 118.28 28.00 70.75 120.60 28.03 72.20 119.81 28.88 72.66 120.43 27.48 70.80 121.18 28.44 69.88 2 0 21.63-999 ?-999 ?-999 ? O4 PG5 C 166 mALA^J 142 121.70 27.61 72.81 122.10 26.79 72.40 123.78 28.48 73.65 124.39 27.65 72.96 122.29 28.26 73.97 122.17 27.43 75.18 2 0 18.93-999 ?-999 ?-999 ? O4 PG5 C 166 mALA^J 143 124.33 29.58 74.16 123.68 30.13 74.68 126.24 30.45 75.31 125.69 31.43 75.85 125.74 29.94 73.98 125.88 31.02 72.89 2 0 15.83-999 ?-999 ?-999 ? O4 PG5 C 166 mVAL^J 144 127.21 29.76 75.90 127.62 29.05 75.33 129.13 29.97 77.41 129.82 29.27 76.64 127.61 30.03 77.28 126.92 29.02 78.21 3 0 14.22-999 ?-999 ?-999 ? O4 PG5 C 166 mGLY^J 145 129.65 30.67 78.40 128.94 31.14 78.94 131.51 29.79 79.77 131.05 29.91 80.93 131.10 30.74 78.68-999.99-999.99-999.99 1 0 12.27-999 ?-999 ?-999 ? C7 PG5 C 166 mMETJ 146 132.41 28.87 79.43 132.70 28.97 78.48 134.31 28.20 80.92 135.07 28.98 80.33 132.92 27.81 80.34 133.12 26.46 79.66 2 0 13.76-999 ?-999 ?-999 ? C5 PG5 J 166 mALA^J 147 134.63 27.62 82.08 133.89 27.07 82.47 137.05 27.19 81.81 138.13 27.75 81.69 135.96 27.81 82.69 136.03 27.17 84.07 2 0 11.25-999 ?-999 ?-999 ? C5 PG5 J 166 mSER^J 148 136.72 26.03 81.22 135.76 25.78 81.37 136.83 24.03 79.86 135.68 23.80 80.27 137.62 25.20 80.43 138.82 24.66 81.24 2 0 8.71-999 ?-999 ?-999 ? C6 PG5 J 166 mLEU^J 149 137.47 23.30 78.94 138.41 23.60 78.77 137.85 21.01 78.07 139.06 21.23 78.10 136.86 22.16 78.26 136.36 22.59 76.88 3 0 9.38-999 ?-999 ?-999 ? C7 PG5 J 166 mPRO^J 150 137.34 19.79 77.87 136.35 19.73 77.94 139.27 18.91 76.53 139.00 19.55 75.50 138.20 18.64 77.58 137.20 17.56 77.13 3 0 9.01-999 ?-999 ?-999 ? C7 PG5 J 166 mPHE^J 151 140.49 18.47 76.83 140.53 18.05 77.74 141.99 20.05 75.62 142.64 20.33 74.60 141.65 18.60 75.93 141.38 17.85 74.63 3 0 6.85-999 ?-999 ?-999 ? C7 PG5 J 166 mASN^J 152 141.51 20.98 76.46 140.99 20.62 77.24 141.05 22.90 74.98 141.42 23.95 74.48 141.72 22.39 76.25 143.22 22.73 76.28 2 0 -5.44-999 ?-999 ?-999 ? C7 PG5 J 166s mALA^J 153 140.03 22.18 74.47 139.89 21.29 74.91 138.72 24.10 73.67 138.27 24.38 74.80 139.20 22.70 73.36 137.99 21.84 73.20 2 0 8.82-999 ?-999 ?-999 ? C2 PG5 J 166 mSER^J 154 138.71 24.97 72.68 139.12 24.64 71.83 136.60 26.29 72.82 135.96 27.14 73.39 138.13 26.31 72.87 138.69 27.32 71.85 2 0 8.81-999 ?-999 ?-999 ? C2 PG5 J 166 mVAL^J 155 136.03 25.31 72.13 136.68 24.65 71.74 134.21 23.72 71.95 134.95 22.85 71.45 134.58 25.20 71.94 134.14 25.88 70.57 3 0 12.59-999 ?-999 ?-999 ? C2 PG5 J 166 mGLU^J 156 133.06 23.44 72.53 132.68 24.23 73.02 130.92 22.41 72.18 130.33 23.32 72.73 132.40 22.15 72.47 132.54 21.42 73.82 2 0 15.32-999 ?-999 ?-999 ? C2 PG5 J 166 mILE^J 157 130.33 21.62 71.32 130.91 20.89 70.96 128.23 20.49 70.87 128.75 19.58 70.24 128.93 21.83 70.94 128.78 22.52 69.52 3 0 18.93-999 ?-999 ?-999 ? C2 PG5 J 166 mASP^J 158 127.06 20.36 71.50 126.82 21.14 72.08 124.97 19.52 70.56 124.80 20.67 70.18 126.21 19.17 71.35 125.97 18.50 72.71 2 0 21.76-999 ?-999 ?-999 ? C7 PG5 J 166 mALA^J 159 124.16 18.51 70.23 124.40 17.62 70.60 121.86 17.77 69.62 122.07 16.67 70.09 123.00 18.76 69.38 123.41 18.67 67.91 2 0 25.51-999 ?-999 ?-999 ? C7 PG5 J 166 mILE^J 160 120.66 18.22 69.29 120.66 19.21 69.10 118.90 17.65 67.84 118.70 18.81 67.45 119.47 17.41 69.21 118.44 17.76 70.28 3 0 29.01-999 ?-999 ?-999 ? C7 PG5 J 166 mVAL^J 161 118.68 16.57 67.11 118.81 15.72 67.62 117.04 15.72 65.52 117.03 14.59 65.99 118.27 16.64 65.71 119.40 16.17 64.77 3 0 31.61-999 ?-999 ?-999 ? C7 PG5 J 166 mGLU^J 162 116.01 16.25 64.89 116.09 17.22 64.67 115.14 14.77 63.24 115.59 15.44 62.30 114.85 15.44 64.57 113.62 16.30 64.43 2 0 35.35-999 ?-999 ?-999 ? C7 PG5 J 166 mILE^J 163 114.86 13.48 63.16 114.35 13.11 63.94 114.12 11.85 61.43 113.09 11.70 62.07 115.27 12.68 62.01 116.43 11.74 62.38 3 0 36.77-999 ?-999 ?-999 ? C7 PG5 J 166 mASP^J 164 114.35 11.31 60.23 115.07 11.79 59.73 114.17 8.84 60.29 113.42 7.97 60.78 113.61 10.14 59.71 113.72 10.06 58.18 2 0 39.98-999 ?-999 ?-999 ? C7 PG5 J 166 mTHR^K 2 122.79 113.70 53.42 122.57 113.68 54.39 123.02 112.33 51.33 122.17 112.09 50.47 123.12 113.73 51.95 124.55 114.29 51.68 2 0 48.77-999 ?-999 ?-999 ? C1 PG5 K 166 mGLU^K 3 123.89 111.41 51.74 124.51 111.71 52.47 122.64 109.31 51.51 122.25 108.36 50.83 123.90 110.08 51.12 125.18 109.29 51.45 2 0 46.63-999 ?-999 ?-999 ? C1 PG5 K 166 mASN^K 4 121.99 109.73 52.59 122.46 110.44 53.11 119.55 109.68 52.06 118.54 108.99 51.86 120.69 109.16 52.94 120.42 109.40 54.42 2 0 44.29-999 ?-999 ?-999 ? C1 PG5 K 166 mLEU^K 5 119.72 110.89 51.53 120.53 111.38 51.85 118.94 110.70 49.22 117.97 110.43 48.51 118.78 111.44 50.55 119.03 112.94 50.36 3 0 43.94-999 ?-999 ?-999 ? C1 PG5 K 166 mTYR^K 6 120.19 110.37 48.90 120.88 110.71 49.54 119.78 108.22 47.79 119.16 107.81 46.81 120.50 109.57 47.73 122.02 109.36 47.63 3 0 43.13-999 ?-999 ?-999 ? C1 PG5 K 166 mPHE^K 7 119.86 107.55 48.93 120.38 108.02 49.65 117.72 106.37 49.11 117.04 105.58 48.45 119.23 106.25 49.10 119.78 105.50 50.33 3 0 40.29-999 ?-999 ?-999 ? C1 PG5 K 166 mGLN^K 8 117.19 107.39 49.79 117.85 107.89 50.35 115.29 107.90 48.25 114.25 107.39 47.84 115.75 107.71 49.72 115.43 108.96 50.54 2 0 39.09-999 ?-999 ?-999 ? C1 PG5 K 166 mGLY^K 9 116.11 108.63 47.48 116.90 108.99 47.96 115.84 107.59 45.25 114.93 107.36 44.46 115.84 108.87 46.07-999.99-999.99-999.99 1 0 39.20-999 ?-999 ?-999 ? C1 PG5 K 166 mMETK 10 116.88 106.78 45.45 117.56 107.13 46.09 115.76 104.62 45.06 115.24 103.98 44.16 116.99 105.49 44.78 118.24 104.74 45.25 2 0 37.33-999 ?-999 ?-999 ? C1 PG5 K 166 mSER^K 11 115.30 104.62 46.31 115.84 105.18 46.94 112.86 104.37 45.99 112.05 103.58 45.50 114.09 103.86 46.70 113.85 103.91 48.20 2 0 34.53-999 ?-999 ?-999 ? C1 PG5 K 166 mASP^K 12 112.72 105.70 45.97 113.43 106.20 46.47 111.59 105.97 43.78 110.53 105.78 43.23 111.64 106.37 45.25 111.80 107.91 45.33 2 0 34.52-999 ?-999 ?-999 ? C1 PG5 K 166 mVAL^K 13 112.75 105.87 43.13 113.54 106.06 43.70 112.36 104.07 41.54 111.60 103.78 40.63 112.83 105.51 41.71 114.28 105.64 41.16 3 0 34.19-999 ?-999 ?-999 ? C1 PG5 K 166 mILE^K 14 112.79 103.20 42.42 113.39 103.60 43.12 110.88 101.62 42.47 110.21 101.00 41.63 112.39 101.76 42.33 113.11 100.90 43.39 3 0 31.19-999 ?-999 ?-999 ? C1 PG5 K 166 mGLU^K 15 110.32 102.23 43.50 110.97 102.72 44.09 108.07 102.86 42.65 106.97 102.43 42.29 108.87 102.15 43.74 108.52 102.72 45.10 2 0 29.32-999 ?-999 ?-999 ? C1 PG5 K 166 mGLY^K 16 108.61 103.94 42.11 109.46 104.25 42.54 107.99 103.76 39.72 107.02 103.80 38.96 107.98 104.60 40.98-999.99-999.99-999.99 1 0 30.44-999 ?-999 ?-999 ? C1 PG5 K 166 mARG^K 17 109.07 103.04 39.45 109.82 103.13 40.10 108.02 101.08 38.44 107.38 100.68 37.48 109.09 102.18 38.27 110.45 101.53 38.06 2 0 29.16-999 ?-999 ?-999 ? C1 PG5 K 166 mLEU^K 18 107.81 100.63 39.67 108.38 101.06 40.38 105.39 100.09 39.66 104.56 99.38 39.05 106.81 99.57 39.92 106.93 99.05 41.33 3 0 25.69-999 ?-999 ?-999 ? C1 PG5 K 166 mLYS^K 19 105.12 101.32 40.09 105.85 101.73 40.63 103.64 102.19 38.27 102.51 102.10 37.79 103.84 101.98 39.76 103.69 103.32 40.45 2 0 25.95-999 ?-999 ?-999 ? C1 PG5 K 166 mGLU^K 20 104.71 102.43 37.52 105.56 102.56 38.04 104.24 101.16 35.41 103.65 101.14 34.33 104.63 102.51 36.06 105.94 103.01 35.48 2 0 27.01-999 ?-999 ?-999 ? C1 PG5 K 166 mLEU^K 21 104.58 100.05 36.07 105.16 100.21 36.87 102.70 98.39 36.14 102.14 97.36 35.76 104.12 98.72 35.65 105.08 97.64 36.15 3 0 23.65-999 ?-999 ?-999 ? C1 PG5 K 166 mGLY^K 22 102.12 99.23 36.97 102.72 99.97 37.28 100.51 98.58 38.81 99.38 98.32 39.22 100.72 99.07 37.39-999.99-999.99-999.99 1 0 21.97-999 ?-999 ?-999 ? C1 PG5 K 166 mPHE^K 23 101.59 98.47 39.57 102.43 98.79 39.14 101.97 98.91 41.99 102.96 99.63 41.83 101.54 97.92 40.91 102.43 96.68 41.01 3 0 21.34-999 ?-999 ?-999 ? C1 PG5 K 166 mTHR^K 24 101.23 98.94 43.10 100.32 98.53 42.98 102.08 98.40 45.34 101.52 97.30 45.28 101.70 99.52 44.35 100.63 100.41 44.99 2 0 23.30-999 ?-999 ?-999 ? C1 PG5 K 166 mLEU^K 25 103.05 98.67 46.22 103.47 99.57 46.10 102.38 97.56 48.38 101.94 98.56 48.98 103.44 97.72 47.27 104.78 98.11 47.91 3 0 23.54-999 ?-999 ?-999 ? C1 PG5 K 166 mPRO^K 26 101.98 96.32 48.69 102.36 95.58 48.13 101.72 96.43 51.13 102.96 96.44 51.17 101.05 96.15 49.79 100.62 94.68 49.66 3 0 22.16-999 ?-999 ?-999 ? C1 PG5 K 166 mASN^K 34 105.03 81.29 63.97 104.18 81.80 63.80 107.26 80.47 63.04 108.45 80.13 63.20 106.29 80.53 64.23 105.95 79.14 64.77 2 0 24.30-999 ?-999 ?-999 ? C8 PG5 K 166 mTYR^K 35 106.75 80.83 61.86 105.75 80.81 61.83 107.34 82.67 60.40 106.27 83.21 60.70 107.60 81.21 60.73 107.43 80.32 59.49 3 0 23.12-999 ?-999 ?-999 ? C8 PG5 K 166 mVAL^K 36 108.35 83.28 59.82 109.10 82.67 59.57 108.50 84.93 58.04 108.99 84.05 57.33 108.38 84.69 59.55 109.56 85.33 60.32 3 0 24.37-999 ?-999 ?-999 ? C8 PG5 K 166 mPRO^K 37 108.11 86.13 57.56 107.74 86.74 58.25 109.66 86.57 55.59 109.88 86.46 54.38 108.23 86.48 56.13 107.55 87.84 56.01 3 0 23.59-999 ?-999 ?-999 ? C8 PG5 K 166 mPHE^K 38 110.61 86.80 56.49 110.27 86.92 57.42 112.94 86.71 57.32 112.55 86.92 58.48 112.01 86.88 56.13 112.32 88.20 55.43 3 0 26.73-999 ?-999 ?-999 ? C8 PG5 K 166 mTHR^K 39 114.16 86.29 57.00 114.24 86.00 56.05 116.50 86.84 57.32 116.61 86.89 56.10 115.27 86.24 57.97 115.63 84.81 58.42 2 0 29.75-999 ?-999 ?-999 ? C8 PG5 K 166 mILE^K 40 117.45 87.27 58.14 117.22 87.21 59.12 119.86 87.04 58.27 119.89 86.82 59.47 118.70 87.79 57.64 118.84 89.29 57.92 3 0 33.18-999 ?-999 ?-999 ? C8 PG5 K 166 mSER^K 41 120.80 86.60 57.45 120.57 86.69 56.48 123.21 86.72 57.22 123.34 86.61 56.00 122.06 86.04 57.95 122.10 84.52 57.81 2 0 35.51-999 ?-999 ?-999 ? C8 PG5 K 166 mGLY^K 42 124.02 87.45 57.98 123.85 87.40 58.96 124.42 89.30 56.46 123.57 90.06 56.90 125.08 88.27 57.37-999.99-999.99-999.99 1 0 38.82-999 ?-999 ?-999 ? C8 PG5 K 166 mASN^K 43 124.78 89.29 55.19 125.47 88.61 54.95 123.25 89.53 53.26 123.03 90.03 52.17 124.19 90.23 54.24 125.26 91.00 53.48 2 0 38.11-999 ?-999 ?-999 ? C8 PG5 K 166 mLEU^K 44 122.73 88.38 53.67 123.08 88.05 54.54 120.37 87.74 53.53 120.25 87.51 54.73 121.73 87.69 52.85 122.15 86.26 52.57 3 0 34.60-999 ?-999 ?-999 ? C8 PG5 K 166 mLEU^K 45 119.37 88.06 52.72 119.65 88.19 51.77 117.26 87.06 52.48 117.24 86.98 51.24 118.00 88.21 53.15 117.46 89.54 52.65 3 0 31.59-999 ?-999 ?-999 ? C8 PG5 K 166 mTYR^K 46 116.76 86.14 53.30 117.05 86.28 54.25 114.42 85.41 53.04 113.97 85.61 54.13 115.89 85.04 52.89 116.14 83.81 53.77 3 0 28.32-999 ?-999 ?-999 ? C8 PG5 K 166 mVAL^K 47 113.71 85.49 51.92 114.22 85.27 51.09 111.50 84.55 51.74 111.74 83.74 50.83 112.31 85.86 51.93 111.97 86.82 50.77 3 0 25.34-999 ?-999 ?-999 ? C8 PG5 K 166 mSER^K 48 110.51 84.37 52.60 110.48 85.10 53.29 108.78 83.21 51.19 108.61 84.26 50.53 109.57 83.23 52.52 108.57 83.31 53.68 2 0 21.91-999 ?-999 ?-999 ? C8 PG5 K 166 mGLY^K 49 108.32 82.03 50.78 108.61 81.24 51.33 106.28 82.91 49.70 105.53 82.90 50.69 107.44 81.94 49.61-999.99-999.99-999.99 1 0 18.90-999 ?-999 ?-999 ? C8 PG5 K 166 mGLN^K 50 106.15 83.74 48.67 106.89 83.64 48.00 104.07 84.16 47.50 104.45 83.59 46.47 105.07 84.69 48.52 105.59 86.08 48.08 2 0 17.89-999 ?-999 ?-999 ? C1 PG5 K 166 mLEU^K 51 102.81 84.39 47.81 102.72 84.86 48.69 101.21 85.27 46.19 101.69 86.38 46.47 101.66 84.01 46.98 100.54 83.49 47.90 3 0 14.16-999 ?-999 ?-999 ? C1 PG5 K 166 mPRO^K 52 100.32 85.10 45.21 99.98 84.17 45.07 98.81 87.03 45.09 97.66 87.02 44.61 99.91 86.25 44.41 99.44 85.61 43.10 3 0 12.50-999 ?-999 ?-999 ? C1 PG5 K 166 mMETK 53 99.17 87.68 46.20 100.13 87.53 46.42 98.03 89.88 46.38 98.97 90.56 46.04 98.26 88.52 47.01 98.85 88.80 48.40 2 0 14.02-999 ?-999 ?-999 ? C1 PG5 K 166 mGLU^K 54 96.76 90.25 46.26 96.10 89.56 46.53 95.15 91.96 46.60 94.21 91.17 46.68 96.39 91.56 45.78 96.05 91.51 44.30 2 0 14.73-999 ?-999 ?-999 ? C1 PG5 K 166 mSER^K 55 95.18 93.14 47.22 96.03 93.65 47.08 93.68 92.63 49.11 92.50 92.41 49.35 94.05 93.62 48.02 92.81 93.86 47.14 2 0 16.80-999 ?-999 ?-999 ? C1 PG5 K 166 mGLY^K 56 94.68 92.00 49.72 95.58 92.29 49.40 93.88 89.64 50.33 93.46 88.88 51.21 94.46 90.99 50.74-999.99-999.99-999.99 1 0 16.54-999 ?-999 ?-999 ? C1 PG5 K 166 mLYS^K 57 93.88 89.32 49.04 94.32 90.01 48.47 94.25 87.40 47.55 94.97 88.07 46.83 93.29 88.09 48.51 92.04 88.40 47.69 2 0 12.75-999 ?-999 ?-999 ? C1 PG5 K 166 mILE^K 58 94.17 86.08 47.47 93.59 85.65 48.16 94.24 85.64 45.06 93.11 85.18 44.79 94.91 85.35 46.42 94.96 83.82 46.65 3 0 10.07-999 ?-999 ?-999 ? C1 PG5 K 166 mALA^K 59 94.95 86.39 44.22 95.89 86.55 44.52 94.24 85.91 41.86 93.40 86.10 40.96 94.40 86.92 42.97 95.28 88.08 42.48 2 0 8.97-999 ?-999 ?-999 ? C1 PG5 K 166 mVAL^K 60 95.06 84.85 41.88 95.61 84.78 42.71 95.24 82.50 41.39 96.21 82.20 42.06 95.12 83.90 40.78 96.29 84.16 39.84 3 0 6.37-999 ?-999 ?-999 ? C1 PG5 K 166 mTHR^K 61 94.24 81.67 41.14 93.54 82.04 40.52 93.95 79.24 40.70 93.41 79.47 39.61 94.17 80.33 41.75 93.02 80.18 42.74 2 0 -4.39-999 ?-999 ?-999 ? C1 PG5 K 166s mGLY^K 62 94.33 78.03 41.06 94.72 77.98 41.98 95.46 76.53 39.42 96.52 77.22 39.53 94.18 76.88 40.19-999.99-999.99-999.99 1 0 -3.57-999 ?-999 ?-999 ? C3 PG5 K 166s mLEU^K 63 95.33 75.49 38.62 94.39 75.16 38.54 96.70 75.53 36.57 95.76 75.74 35.78 96.47 74.88 37.93 96.27 73.37 37.75 3 0 6.69-999 ?-999 ?-999 ? C3 PG5 K 166 mVAL^K 64 97.95 75.85 36.27 98.61 75.69 37.00 98.18 75.22 33.97 98.72 74.11 34.23 98.29 76.38 34.95 99.68 77.04 34.94 3 0 9.46-999 ?-999 ?-999 ? C1 PG5 K 166 mGLY^K 65 97.48 75.46 32.86 97.19 76.41 32.77 95.81 73.79 32.08 95.41 72.95 31.30 97.18 74.42 31.88-999.99-999.99-999.99 1 0 8.42-999 ?-999 ?-999 ? O3 PG5 E 166 mARG^K 66 95.10 74.19 33.14 95.57 74.85 33.72 92.82 74.87 33.76 91.86 75.12 33.03 93.75 73.69 33.42 93.75 72.65 34.56 2 0 -4.91-999 ?-999 ?-999 ? O3 PG5 E 166s mASP^K 67 93.13 75.56 34.85 93.97 75.26 35.30 92.80 78.03 34.88 91.99 78.94 34.78 92.32 76.67 35.34 92.33 76.64 36.84 2 0 5.03-999 ?-999 ?-999 ? O1 PG5 K 166 mVAL^K 68 94.10 78.15 34.61 94.57 77.27 34.61 95.67 79.24 33.10 96.29 78.18 32.94 94.77 79.43 34.33 95.58 79.84 35.61 3 0 6.53-999 ?-999 ?-999 ? C1 PG5 K 166 mASP^K 69 95.70 80.24 32.23 95.05 80.98 32.41 97.93 80.92 31.45 98.09 81.45 32.56 96.61 80.22 31.10 95.99 80.83 29.84 2 0 10.22-999 ?-999 ?-999 ? C1 PG5 K 166 mVAL^K 70 98.87 80.92 30.50 98.59 80.52 29.63 100.12 82.97 31.14 100.71 83.40 32.12 100.21 81.49 30.77 101.21 81.21 29.60 3 0 13.01-999 ?-999 ?-999 ? C1 PG5 K 166 mALA^K 71 99.35 83.75 30.38 98.89 83.26 29.64 98.71 85.48 32.08 99.26 86.31 32.80 99.21 85.20 30.65 98.31 85.82 29.58 2 0 13.43-999 ?-999 ?-999 ? C1 PG5 K 166 mSER^K 72 97.68 84.75 32.52 97.31 84.09 31.86 98.18 84.47 34.92 98.28 85.09 35.99 97.17 84.93 33.86 95.87 84.16 34.08 2 0 10.04-999 ?-999 ?-999 ? C1 PG5 K 166 mALA^K 73 98.92 83.40 34.62 98.71 82.99 33.73 101.11 83.86 35.64 101.73 84.00 36.68 99.93 82.89 35.54 100.42 81.51 35.12 2 0 10.59-999 ?-999 ?-999 ? C1 PG5 K 166 mGLN^K 74 101.43 84.51 34.52 100.93 84.22 33.71 102.09 86.71 35.48 102.93 87.17 36.23 102.46 85.57 34.53 102.74 86.06 33.10 2 0 14.11-999 ?-999 ?-999 ? C1 PG5 K 166 mARG^K 75 100.82 87.14 35.48 100.25 86.72 34.77 100.43 87.59 37.83 100.82 88.33 38.74 100.32 88.13 36.42 98.87 88.50 36.16 2 0 13.23-999 ?-999 ?-999 ? C1 PG5 K 166 mALA^K 76 100.08 86.32 38.04 99.66 85.86 37.26 101.78 85.87 39.77 102.06 86.25 40.91 100.31 85.70 39.33 99.89 84.19 39.30 2 0 11.45-999 ?-999 ?-999 ? C1 PG5 K 166 mALA^K 77 102.71 85.59 38.86 102.37 85.34 37.96 104.51 87.13 39.51 105.25 87.40 40.45 104.13 85.67 39.21 104.97 85.12 38.12 2 0 14.82-999 ?-999 ?-999 ? C1 PG5 K 166 mGLU^K 78 103.99 88.04 38.73 103.45 87.67 37.97 103.76 89.85 40.41 104.53 90.49 41.15 104.20 89.48 38.98 103.45 90.32 37.96 2 0 16.79-999 ?-999 ?-999 ? C1 PG5 K 166 mLEU^K 79 102.56 89.40 40.81 102.06 88.89 40.12 102.93 89.04 43.24 103.22 89.68 44.24 102.06 89.65 42.16 100.60 89.20 42.32 3 0 15.48-999 ?-999 ?-999 ? C1 PG5 K 166 mCYH^K 80 103.34 87.77 43.06 102.91 87.31 42.28 105.58 88.05 44.09 106.05 88.24 45.20 104.35 87.16 43.94 104.80 85.78 43.45 2 0 16.34-999 ?-999 ?-999 ? C1 PG5 K 166 mALA^K 81 106.08 88.57 42.96 105.55 88.33 42.15 107.04 90.74 43.69 107.90 91.21 44.42 107.30 89.43 42.95 107.78 89.71 41.53 2 0 19.70-999 ?-999 ?-999 ? C1 PG5 K 166 mVAL^K 82 105.88 91.33 43.49 105.30 90.88 42.81 105.46 92.29 45.73 105.93 93.12 46.54 105.50 92.55 44.23 104.14 93.07 43.73 3 0 20.31-999 ?-999 ?-999 ? C1 PG5 K 166 mASN^K 83 104.93 91.14 46.13 104.57 90.57 45.39 106.32 90.49 48.09 106.62 90.85 49.23 104.91 90.75 47.53 103.97 89.56 47.74 2 0 19.89-999 ?-999 ?-999 ? C1 PG5 K 166 mILE^K 84 107.20 89.89 47.28 106.81 89.58 46.41 109.19 91.14 47.96 109.79 91.38 49.01 108.61 89.73 47.67 109.45 88.99 46.60 3 0 22.28-999 ?-999 ?-999 ? C1 PG5 K 166 mLEU^K 85 108.98 92.07 47.03 108.43 91.75 46.26 109.00 94.12 48.44 109.72 94.85 49.13 109.54 93.43 47.18 109.28 94.25 45.92 3 0 24.71-999 ?-999 ?-999 ? C1 PG5 K 166 mALA^K 86 107.72 93.87 48.76 107.24 93.30 48.09 107.85 93.91 51.19 108.15 94.71 52.07 107.10 94.38 49.97 105.63 93.98 50.05 2 0 24.55-999 ?-999 ?-999 ? C1 PG5 K 166 mGLN^K 87 108.17 92.62 51.24 107.85 92.09 50.46 110.34 92.58 52.43 110.85 92.84 53.53 108.91 92.06 52.36 108.93 90.54 52.24 2 0 25.68-999 ?-999 ?-999 ? C1 PG5 K 166 mVAL^K 88 110.99 92.70 51.28 110.49 92.39 50.48 112.36 94.71 51.76 113.23 95.10 52.53 112.34 93.26 51.26 112.99 93.17 49.86 3 0 28.30-999 ?-999 ?-999 ? C1 PG5 K 166 mLYS^K 89 111.38 95.50 51.35 110.73 95.07 50.71 111.19 96.93 53.33 111.96 97.67 53.97 111.29 96.88 51.81 110.12 97.60 51.17 2 0 29.69-999 ?-999 ?-999 ? C1 PG5 K 166 mALA^K 90 110.29 96.12 53.89 109.73 95.61 53.23 111.42 95.53 56.05 111.82 96.11 57.07 110.12 95.99 55.35 108.97 95.07 55.69 2 0 30.09-999 ?-999 ?-999 ? C1 PG5 K 166 mALA^K 91 112.07 94.52 55.48 111.58 94.13 54.69 114.44 95.13 56.01 115.33 95.10 56.87 113.37 94.03 55.96 113.87 92.91 55.07 2 0 31.66-999 ?-999 ?-999 ? C1 PG5 K 166 mLEU^K 92 114.38 96.06 55.05 113.57 95.98 54.47 114.95 98.43 55.40 115.47 99.48 55.00 115.41 97.09 54.87 115.81 97.21 53.40 3 0 34.09-999 ?-999 ?-999 ? C1 PG5 K 166 mASN^K 93 113.96 98.38 56.27 113.61 97.46 56.41 112.94 100.66 56.03 113.08 101.85 56.35 113.41 99.54 56.95 114.43 100.03 57.99 2 0 35.03-999 ?-999 ?-999 ? C1 PG5 K 166 mGLY^K 94 112.37 100.29 54.90 112.39 99.31 54.72 112.60 101.53 52.76 112.14 102.22 51.85 111.78 101.26 53.99-999.99-999.99-999.99 1 0 33.63-999 ?-999 ?-999 ? C1 PG5 K 166 mASP^K 95 113.79 100.94 52.70 113.95 100.25 53.40 115.13 100.17 50.66 116.10 99.44 50.85 114.77 101.28 51.67 116.03 101.78 52.40 2 0 34.71-999 ?-999 ?-999 ? C1 PG5 K 166 mLEU^K 96 114.38 100.08 49.57 113.61 100.72 49.54 116.03 99.36 47.81 116.53 98.50 47.08 114.67 99.11 48.51 113.53 99.06 47.48 3 0 32.29-999 ?-999 ?-999 ? C1 PG5 K 166 mSER^K 97 116.62 100.54 48.02 116.06 101.17 48.56 119.09 100.12 48.26 120.23 100.01 47.79 117.96 100.86 47.49 118.20 102.38 47.52 2 0 35.58-999 ?-999 ?-999 ? C1 PG5 K 166 mLYS^K 98 118.77 99.60 49.44 117.86 99.83 49.78 119.81 97.30 49.55 120.58 96.47 50.03 119.71 98.74 50.15 119.37 98.74 51.63 2 0 36.46-999 ?-999 ?-999 ? C1 PG5 K 166 mILE^K 99 119.06 97.00 48.49 118.35 97.68 48.28 120.56 95.87 46.89 120.65 96.71 45.98 119.29 95.77 47.71 118.12 95.47 46.74 3 0 33.97-999 ?-999 ?-999 ? C1 PG5 K 166 mARG^K 100 121.53 94.99 47.16 121.34 94.43 47.97 122.56 94.02 45.10 123.02 94.35 44.02 122.76 94.89 46.34 123.93 94.33 47.17 2 0 36.29-999 ?-999 ?-999 ? C1 PG5 K 166 mARG^K 101 121.84 92.91 45.24 121.41 92.81 46.14 120.61 90.96 44.59 120.65 90.42 45.69 121.70 91.94 44.17 123.04 91.20 43.99 2 0 33.80-999 ?-999 ?-999 ? C1 PG5 K 166 mVAL^K 102 119.62 90.77 43.73 119.56 91.45 43.00 119.50 88.37 43.46 119.81 88.19 42.28 118.71 89.61 43.89 117.43 89.76 43.07 3 0 30.19-999 ?-999 ?-999 ? C1 PG5 K 166 mILE^K 103 119.84 87.54 44.45 119.48 87.81 45.34 119.95 85.20 43.53 120.45 84.64 42.53 120.68 86.35 44.23 121.32 85.87 45.56 3 0 29.98-999 ?-999 ?-999 ? C7 PG5 I 166 mLYS^K 104 118.78 84.86 44.03 118.45 85.46 44.76 116.56 83.89 43.74 116.16 84.41 44.77 118.04 83.69 43.55 118.50 82.47 44.34 2 0 26.63-999 ?-999 ?-999 ? C7 PG5 I 166 mLEU^K 105 115.77 83.47 42.75 116.25 83.31 41.89 114.01 81.80 42.68 114.53 81.23 41.73 114.31 83.27 42.92 113.47 84.11 41.94 3 0 24.20-999 ?-999 ?-999 ? C7 PG5 I 166 mASN^K 106 113.19 81.21 43.53 112.99 81.76 44.35 111.16 80.04 42.92 110.37 80.44 43.76 112.62 79.88 43.27 112.81 78.95 44.46 2 0 21.89-999 ?-999 ?-999 ? C7 PG5 I 166 mGLY^K 107 110.82 79.72 41.68 111.56 79.36 41.12 108.76 78.57 41.09 109.13 77.72 40.31 109.48 79.90 41.18-999.99-999.99-999.99 1 0 19.00-999 ?-999 ?-999 ? C1 PG5 K 166 mPHE^K 108 107.73 78.44 41.92 107.57 79.25 42.48 105.59 77.51 41.30 104.86 78.42 41.71 106.92 77.24 42.01 106.71 76.94 43.48 3 0 16.34-999 ?-999 ?-999 ? C3 PG5 K 166 mVAL^K 109 105.28 76.72 40.26 105.93 75.97 40.11 103.14 75.73 39.52 103.50 74.65 39.09 104.08 76.96 39.43 104.45 77.15 37.95 3 0 13.49-999 ?-999 ?-999 ? C3 PG5 K 166 mALA^K 110 101.94 75.92 40.06 101.80 76.85 40.40 100.57 74.48 38.71 100.09 75.36 37.94 100.94 74.82 40.15 99.70 75.23 40.97 2 0 10.48-999 ?-999 ?-999 ? C3 PG5 K 166 mSER^K 111 100.83 73.23 38.33 101.02 72.62 39.11 100.12 71.46 36.74 100.35 70.50 37.50 100.84 72.79 36.93 102.30 72.58 36.47 2 0 11.43-999 ?-999 ?-999 ? C6 PG5 I 166 mVAL^K 112 99.35 71.32 35.66 99.05 72.18 35.24 100.26 69.36 34.53 101.17 70.11 34.11 99.02 69.96 35.19 97.82 69.91 34.24 3 0 9.58-999 ?-999 ?-999 ? C6 PG5 I 166 mPRO^K 113 100.37 68.01 34.51 99.58 67.49 34.85 101.91 67.68 32.49 103.07 67.49 32.08 101.61 67.41 33.97 101.39 65.91 34.17 3 0 7.16-999 ?-999 ?-999 ? C6 PG5 I 166 mGLU^K 114 100.92 68.13 31.72 100.03 68.16 32.17 101.64 69.99 30.22 102.04 70.41 29.14 101.14 68.53 30.34 99.87 68.36 29.49 2 0 4.16-999 ?-999 ?-999 ? C6 PG5 I 166 mPHE^K 115 101.57 70.76 31.29 101.20 70.34 32.12 103.52 72.11 31.43 104.01 71.63 32.47 102.02 72.12 31.21 101.30 73.04 32.21 3 0 6.24-999 ?-999 ?-999 ? C7 PG5 I 166 mVAL^K 116 104.24 72.67 30.44 103.68 73.06 29.72 106.34 74.07 30.17 107.47 74.17 29.65 105.72 72.68 30.46 106.28 71.63 29.47 3 0 5.83-999 ?-999 ?-999 ? C7 PG5 I 166 mGLU^K 117 105.61 75.14 30.50 104.72 74.91 30.89 106.21 77.32 31.61 105.93 78.52 31.68 106.09 76.52 30.30 105.19 77.24 29.29 2 0 8.84-999 ?-999 ?-999 ? C7 PG5 I 166 mGLN^K 118 106.64 76.62 32.67 106.78 75.65 32.50 107.88 78.43 33.85 107.76 79.42 34.56 106.88 77.28 33.96 107.35 76.29 35.02 2 0 11.68-999 ?-999 ?-999 ? C7 PG5 I 166 mHIS^K 119 108.86 78.28 32.96 108.85 77.40 32.50 109.18 80.62 32.20 109.48 81.71 32.65 109.85 79.36 32.72 110.96 78.87 31.77 3 0 13.55-999 ?-999 ?-999 ? C7 PG5 I 166 mLEU^K 120 108.21 80.48 31.31 108.05 79.54 31.02 106.60 82.28 31.92 106.47 83.51 31.99 107.45 81.64 30.83 106.56 81.25 29.65 3 0 13.86-999 ?-999 ?-999 ? C8 PG5 I 166 mVAL^K 121 106.01 81.46 32.77 106.12 80.48 32.57 106.16 82.79 34.84 105.81 83.88 35.21 105.26 81.98 33.91 104.56 80.82 34.70 3 0 15.19-999 ?-999 ?-999 ? C7 PG5 I 166 mILE^K 122 107.30 82.23 35.23 107.50 81.34 34.82 108.83 84.15 35.55 109.24 85.06 36.29 108.18 82.90 36.19 109.21 81.96 36.82 3 0 17.62-999 ?-999 ?-999 ? C7 PG5 I 166 mASN^K 123 108.88 84.20 34.21 108.58 83.36 33.75 108.53 86.60 33.92 109.06 87.72 33.94 109.34 85.40 33.49 109.30 85.23 31.95 2 0 18.76-999 ?-999 ?-999 ? C7 PG5 I 166 mGLY^K 124 107.25 86.40 34.27 106.91 85.48 34.07 107.12 88.14 36.05 107.25 89.36 36.07 106.43 87.46 34.88-999.99-999.99-999.99 1 0 18.21-999 ?-999 ?-999 ? C1 PG5 K 166 mALA^K 125 107.63 87.34 36.99 107.47 86.37 36.83 109.74 88.38 37.74 110.11 89.51 38.08 108.37 87.85 38.16 108.52 86.75 39.22 2 0 19.62-999 ?-999 ?-999 ? C1 PG5 K 166 mSER^K 126 110.49 87.61 36.96 110.02 86.78 36.63 111.93 89.28 35.87 112.78 90.13 36.14 111.88 87.96 36.62 112.58 86.88 35.80 2 0 23.02-999 ?-999 ?-999 ? C1 PG5 K 166 mASN^K 127 111.01 89.46 34.93 110.38 88.69 34.82 110.61 91.91 35.01 111.23 92.97 34.88 110.96 90.69 34.14 109.97 90.53 32.99 2 0 23.74-999 ?-999 ?-999 ? C1 PG5 K 166 mLEU^K 128 109.65 91.76 35.92 109.25 90.85 35.94 110.42 93.27 37.75 110.74 94.47 37.90 109.25 92.84 36.80 108.00 92.41 37.59 3 0 22.99-999 ?-999 ?-999 ? C1 PG5 K 166 mILE^K 129 111.05 92.28 38.36 110.69 91.37 38.15 113.33 93.19 38.54 113.88 94.18 39.05 112.17 92.50 39.25 112.65 91.16 39.93 3 0 25.12-999 ?-999 ?-999 ? C1 PG5 K 166 mALA^K 130 113.69 92.70 37.35 113.13 91.94 37.02 114.46 94.67 36.13 115.31 95.57 36.14 114.81 93.26 36.61 115.18 92.36 35.46 2 0 27.92-999 ?-999 ?-999 ? C1 PG5 K 166 mTHR^K 131 113.19 94.87 35.75 112.61 94.06 35.80 112.78 97.24 36.40 113.27 98.34 36.16 112.72 96.17 35.30 111.30 96.09 34.75 2 0 27.91-999 ?-999 ?-999 ? C1 PG5 K 166 mVAL^K 132 112.34 96.91 37.61 112.05 95.95 37.72 113.64 98.11 39.37 113.93 99.23 39.82 112.29 97.90 38.67 111.17 97.62 39.69 3 0 28.35-999 ?-999 ?-999 ? C1 PG5 K 166 mLEU^K 133 114.49 97.08 39.40 114.15 96.26 38.95 116.96 97.43 39.14 118.04 97.82 39.60 115.79 97.18 40.08 116.08 95.92 40.91 3 0 30.71-999 ?-999 ?-999 ? C1 PG5 K 166 mGLY^K 134 116.78 97.22 37.84 115.84 97.02 37.58 118.86 96.12 37.08 118.46 95.03 37.52 117.89 97.27 36.89-999.99-999.99-999.99 1 0 32.58-999 ?-999 ?-999 ? C1 PG5 K 166 mGLU^K 135 120.14 96.34 36.78 120.37 97.30 36.58 121.16 94.44 38.07 121.26 93.23 38.01 121.11 95.24 36.77 122.53 95.72 36.43 2 0 33.06-999 ?-999 ?-999 ? C7 PG5 I 166 mPRO^K 136 121.09 95.11 39.24 121.10 96.11 39.17 119.82 93.41 40.64 119.87 92.50 41.45 121.02 94.38 40.51 120.91 95.49 41.56 3 0 33.72-999 ?-999 ?-999 ? C7 PG5 I 166 mGLY^K 137 118.77 93.64 39.85 118.86 94.47 39.29 117.83 91.41 39.14 117.01 90.49 39.32 117.61 92.75 39.82-999.99-999.99-999.99 1 0 30.04-999 ?-999 ?-999 ? C1 PG5 K 166 mARG^K 138 118.90 91.28 38.35 119.52 92.06 38.34 119.63 88.93 38.45 120.59 89.09 39.20 119.11 90.06 37.56 120.01 90.30 36.35 2 0 28.27-999 ?-999 ?-999 ? C7 PG5 I 166 mHIS^K 139 118.97 87.79 38.37 118.42 87.72 37.54 119.19 85.38 38.83 118.74 85.13 37.71 119.06 86.76 39.42 117.76 86.78 40.23 3 0 26.72-999 ?-999 ?-999 ? C7 PG5 I 166 mALA^K 140 119.76 84.49 39.62 120.23 84.87 40.41 118.24 82.61 39.62 117.49 83.29 40.31 119.69 83.06 39.32 120.65 82.28 40.16 2 0 24.73-999 ?-999 ?-999 ? C7 PG5 I 166 mARG^K 141 117.88 81.46 39.10 118.61 80.92 38.66 116.31 79.54 39.05 117.08 78.87 38.40 116.50 81.04 39.18 115.76 81.68 38.01 2 0 21.58-999 ?-999 ?-999 ? C7 PG5 I 166 mALA^K 142 115.22 79.05 39.63 114.83 79.67 40.32 113.19 77.98 38.98 112.58 78.83 39.62 114.66 77.73 39.27 114.81 76.74 40.42 2 0 18.87-999 ?-999 ?-999 ? C7 PG5 I 166 mALA^K 143 112.63 77.22 38.03 113.26 76.59 37.59 110.71 75.87 37.54 111.25 75.10 36.73 111.22 77.31 37.68 111.04 78.10 36.36 2 0 15.80-999 ?-999 ?-999 ? C7 PG5 I 166 mVAL^K 144 109.71 75.49 38.36 109.27 76.22 38.86 107.83 73.95 38.59 107.12 74.87 39.03 109.33 74.08 38.47 110.06 73.44 39.66 3 0 14.18-999 ?-999 ?-999 ? C7 PG5 I 166 mGLY^K 145 107.33 72.78 38.21 108.02 72.11 37.92 105.48 71.67 39.41 105.99 70.54 39.61 105.89 72.52 38.23-999.99-999.99-999.99 1 0 12.36-999 ?-999 ?-999 ? C6 PG5 I 166 mMETK 146 104.57 72.24 40.19 104.23 73.10 39.80 102.70 71.05 41.29 101.92 71.44 40.40 104.08 71.70 41.47 103.92 72.82 42.49 2 0 13.82-999 ?-999 ?-999 ? C6 PG5 K 166 mALA^K 147 102.33 70.16 42.19 103.01 70.00 42.91 99.91 70.46 42.51 98.80 70.42 41.99 101.02 69.48 42.10 101.00 68.23 42.96 2 0 11.20-999 ?-999 ?-999 ? C6 PG5 K 166 mSER^K 148 100.25 71.35 43.45 101.21 71.27 43.73 100.12 73.18 45.00 101.25 72.81 45.39 99.33 72.33 44.02 98.18 71.63 44.78 2 0 8.75-999 ?-999 ?-999 ? O4 PG5 K 166 mLEU^K 149 99.48 74.25 45.44 98.54 74.32 45.11 99.13 75.67 47.41 97.90 75.50 47.22 100.12 75.23 46.34 100.61 76.45 45.55 3 0 9.62-999 ?-999 ?-999 ? O4 PG5 K 166 mPRO^K 150 99.63 76.22 48.54 100.62 76.22 48.61 97.69 77.74 49.05 97.99 78.63 48.20 98.74 76.77 49.56 99.71 77.52 50.48 3 0 9.06-999 ?-999 ?-999 ? C8 PG5 K 166 mPHE^K 151 96.47 77.58 49.58 96.42 76.84 50.25 94.94 78.36 47.72 94.25 79.25 47.20 95.32 78.42 49.21 95.54 79.90 49.61 3 0 7.00-999 ?-999 ?-999 ? C8 PG5 K 166 mASN^K 152 95.43 77.31 47.05 95.96 76.67 47.61 95.90 78.18 44.80 95.50 78.44 43.67 95.22 77.09 45.63 93.70 77.00 45.29 2 0 -5.83-999 ?-999 ?-999 ? C8 PG5 K 166s mALA^K 153 96.94 78.81 45.34 97.14 78.57 46.29 98.24 79.09 43.26 98.65 77.91 43.29 97.71 79.77 44.55 98.86 80.32 45.34 2 0 8.62-999 ?-999 ?-999 ? C3 PG5 K 166 mSER^K 154 98.25 79.83 42.15 97.85 80.75 42.25 100.34 79.33 40.91 100.97 78.57 40.21 98.80 79.30 40.91 98.26 80.06 39.70 2 0 8.39-999 ?-999 ?-999 ? C1 PG5 K 166 mVAL^K 155 100.91 80.27 41.67 100.25 80.79 42.20 102.75 80.90 43.17 102.02 81.69 43.84 102.37 80.50 41.73 102.83 81.64 40.74 3 0 12.07-999 ?-999 ?-999 ? C1 PG5 K 166 mGLU^K 156 103.89 80.40 43.62 104.27 79.70 43.01 106.01 81.04 44.54 106.61 80.23 43.84 104.54 80.81 44.87 104.42 79.73 45.93 2 0 15.08-999 ?-999 ?-999 ? C1 PG5 K 166 mILE^K 157 106.59 82.12 45.04 106.00 82.67 45.63 108.71 82.87 45.99 108.20 83.72 46.73 107.98 82.43 44.73 108.12 83.57 43.67 3 0 18.44-999 ?-999 ?-999 ? C1 PG5 K 166 mASP^K 158 109.88 82.27 46.24 110.11 81.52 45.62 111.97 83.39 46.77 112.19 83.39 45.55 110.74 82.70 47.34 111.04 81.56 48.32 2 0 21.91-999 ?-999 ?-999 ? C1 PG5 K 166 mALA^K 159 112.75 84.00 47.64 112.48 83.87 48.60 115.04 84.81 48.21 114.81 84.71 49.42 113.91 84.79 47.19 113.49 86.24 46.86 2 0 25.15-999 ?-999 ?-999 ? C1 PG5 K 166 mILE^K 160 116.26 84.95 47.67 116.27 84.82 46.68 118.00 86.56 47.82 118.18 86.64 46.60 117.45 85.27 48.44 118.51 84.16 48.38 3 0 28.93-999 ?-999 ?-999 ? C1 PG5 K 166 mVAL^K 161 118.22 87.56 48.67 118.08 87.31 49.63 119.88 89.32 49.04 119.92 89.22 50.26 118.63 88.90 48.25 117.47 89.93 48.48 3 0 30.85-999 ?-999 ?-999 ? C1 PG5 K 166 mGLU^K 162 120.92 89.73 48.33 120.83 89.61 47.34 121.79 91.79 49.27 121.37 92.51 48.38 122.08 90.32 49.00 123.32 90.17 48.14 2 0 34.64-999 ?-999 ?-999 ? C1 PG5 K 166 mILE^K 163 122.01 92.22 50.52 122.47 91.55 51.10 122.75 94.32 51.61 123.71 93.73 52.07 121.60 93.55 50.97 120.43 93.47 51.99 3 0 35.93-999 ?-999 ?-999 ? C1 PG5 K 166 mASP^K 164 122.65 95.65 51.60 121.87 95.98 51.05 123.29 96.51 53.81 122.21 96.93 54.23 123.59 96.54 52.32 123.49 97.96 51.79 2 0 39.29-999 ?-999 ?-999 ? C1 PG5 K 166 mVAL^K 165 124.23 96.03 54.60 125.11 95.85 54.14 125.07 96.44 56.88 124.78 96.89 57.99 124.00 95.78 56.02 123.93 94.26 56.33 3 0 40.69-999 ?-999 ?-999 ? C1 PG5 K 166 mTHR^L 2 60.24 16.71 37.22 59.52 17.19 37.71 62.15 16.90 35.59 63.39 16.90 35.67 61.32 15.98 36.49 60.78 14.83 35.60 2 0 48.44-999 ?-999 ?-999 ? O1 PG5 L 166 mGLU^L 3 61.49 17.66 34.72 60.51 17.46 34.63 62.58 19.74 35.03 63.67 20.30 34.97 62.20 18.69 34.00 61.38 19.27 32.82 2 0 46.73-999 ?-999 ?-999 ? O1 PG5 L 166 mASN^L 4 61.72 19.96 36.03 60.85 19.47 35.95 63.25 20.30 37.94 64.13 21.06 38.36 62.06 20.85 37.12 60.84 21.09 38.03 2 0 44.46-999 ?-999 ?-999 ? O1 PG5 L 166 mLEU^L 5 63.27 18.99 38.15 62.48 18.50 37.78 65.69 18.49 38.11 66.75 18.66 38.72 64.38 18.35 38.88 64.07 16.87 39.13 3 0 44.14-999 ?-999 ?-999 ? O1 PG5 L 166 mTYR^L 6 65.61 18.39 36.79 64.68 18.20 36.46 67.38 19.95 35.97 68.61 20.10 36.03 66.75 18.53 35.90 66.32 18.22 34.47 3 0 43.31-999 ?-999 ?-999 ? O1 PG5 L 166 mPHE^L 7 66.53 20.97 35.93 65.58 20.69 35.79 67.51 22.61 37.49 68.53 23.27 37.67 66.97 22.36 36.09 65.83 23.33 35.76 3 0 40.42-999 ?-999 ?-999 ? O1 PG5 L 166 mGLN^L 8 66.83 22.07 38.51 65.96 21.64 38.25 68.73 21.47 39.94 69.62 21.96 40.63 67.35 22.13 39.87 66.38 21.44 40.83 2 0 39.26-999 ?-999 ?-999 ? O1 PG5 L 166 mGLY^L 9 68.90 20.36 39.22 68.09 20.05 38.73 71.26 20.51 38.56 72.33 20.69 39.14 70.17 19.65 39.17-999.99-999.99-999.99 1 0 39.49-999 ?-999 ?-999 ? O1 PG5 L 166 mMETL 10 70.98 21.03 37.36 70.09 20.75 37.00 72.31 23.12 37.52 73.46 23.54 37.47 71.90 21.93 36.66 71.28 22.46 35.38 2 0 37.50-999 ?-999 ?-999 ? O1 PG5 L 166 mSER^L 11 71.37 23.67 38.28 70.47 23.23 38.19 72.59 24.41 40.27 73.49 25.17 40.64 71.66 24.82 39.15 70.39 25.43 39.74 2 0 34.73-999 ?-999 ?-999 ? O1 PG5 L 166 mASP^L 12 72.37 23.20 40.81 71.59 22.70 40.44 74.68 22.56 41.35 75.64 22.83 42.09 73.24 22.69 41.86 72.77 21.29 42.37 2 0 34.71-999 ?-999 ?-999 ? O1 PG5 L 166 mVAL^L 13 74.82 22.10 40.10 73.96 21.93 39.63 76.85 23.20 39.30 78.04 23.31 39.58 76.13 21.86 39.48 75.99 21.17 38.12 3 0 34.31-999 ?-999 ?-999 ? C1 PG5 L 166 mILE^L 14 76.11 24.20 38.84 75.18 23.93 38.62 77.17 26.13 40.03 78.30 26.55 40.18 76.69 25.58 38.67 75.68 26.56 38.00 3 0 31.38-999 ?-999 ?-999 ? C1 PG5 L 166 mGLU^L 15 76.31 26.12 41.03 75.41 25.75 40.80 77.79 25.77 43.00 78.64 26.30 43.71 76.69 26.61 42.35 75.48 26.70 43.27 2 0 29.53-999 ?-999 ?-999 ? O1 PG5 L 166 mGLY^L 16 77.77 24.45 42.76 76.99 24.12 42.24 80.17 23.92 42.65 81.19 23.92 43.35 78.82 23.60 43.25-999.99-999.99-999.99 1 0 30.56-999 ?-999 ?-999 ? C1 PG5 L 166 mARG^L 17 80.19 24.20 41.35 79.31 24.11 40.89 81.98 25.90 41.26 83.19 26.06 41.44 81.43 24.59 40.68 81.22 24.78 39.19 2 0 29.10-999 ?-999 ?-999 ? C1 PG5 L 166 mLEU^L 18 81.08 26.83 41.55 80.13 26.57 41.34 82.10 27.87 43.54 83.14 28.46 43.87 81.48 28.11 42.14 80.27 29.04 42.21 3 0 25.73-999 ?-999 ?-999 ? C1 PG5 L 166 mLYS^L 19 81.49 27.00 44.34 80.61 26.66 44.00 83.48 25.95 45.47 84.38 26.18 46.30 82.09 26.59 45.62 81.15 25.65 46.38 2 0 26.00-999 ?-999 ?-999 ? C1 PG5 L 166 mGLU^L 20 83.67 25.17 44.41 82.86 25.01 43.86 86.01 25.67 43.79 87.19 25.45 44.02 84.98 24.59 44.11 84.89 23.62 42.95 2 0 26.81-999 ?-999 ?-999 ? C1 PG5 L 166 mLEU^L 21 85.57 26.81 43.27 84.61 26.79 43.02 86.67 28.81 44.35 87.51 29.73 44.36 86.46 27.98 43.08 85.91 28.88 41.98 3 0 23.44-999 ?-999 ?-999 ? C1 PG5 L 166 mGLY^L 22 85.91 28.53 45.40 85.19 27.85 45.21 85.05 30.18 47.06 85.16 30.82 48.10 86.10 29.15 46.69-999.99-999.99-999.99 1 0 21.82-999 ?-999 ?-999 ? C1 PG5 L 166 mPHE^L 23 84.00 30.30 46.25 84.01 29.68 45.47 81.60 30.65 46.80 81.17 29.69 46.15 82.96 31.28 46.51 82.83 32.23 45.31 3 0 21.45-999 ?-999 ?-999 ? C1 PG5 L 166 mTHR^L 24 80.91 31.23 47.77 81.45 31.82 48.36 78.74 32.27 47.47 79.31 33.39 47.47 79.48 31.01 47.93 79.14 30.68 49.41 2 0 23.54-999 ?-999 ?-999 ? O1 PG5 L 166 mLEU^L 25 77.49 32.10 47.04 77.16 31.16 47.07 76.16 34.01 47.77 75.58 33.41 48.68 76.70 33.23 46.57 75.51 32.78 45.71 3 0 23.79-999 ?-999 ?-999 ? O1 PG5 L 166 mPRO^L 26 76.34 35.33 47.77 76.91 35.72 47.04 74.20 36.18 48.58 73.74 35.89 47.46 75.69 36.10 48.82 76.30 37.49 48.65 3 0 22.48-999 ?-999 ?-999 ? O1 PG5 L 166 mVAL^L 27 73.45 36.58 49.60 73.92 36.60 50.48 72.00 38.27 48.57 71.23 38.39 47.59 72.04 36.96 49.39 71.31 37.20 50.71 3 0 24.99-999 ?-999 ?-999 ? O1 PG5 L 166 mALA^L 32 66.16 48.79 48.81 66.98 48.32 49.13 65.29 50.84 47.71 65.61 51.80 48.44 64.94 49.47 48.34 63.94 49.65 49.51 2 0 24.76-999 ?-999 ?-999 ? O4 PG5 L 166 mALA^L 33 65.24 50.93 46.37 64.90 50.11 45.91 64.98 52.40 44.34 64.26 51.55 43.82 65.68 52.15 45.68 67.22 52.13 45.49 2 0 23.52-999 ?-999 ?-999 ? O4 PG5 L 166 mASN^L 34 65.21 53.60 43.78 65.77 54.20 44.35 65.42 53.35 41.28 64.96 53.40 40.13 64.68 53.98 42.46 64.63 55.51 42.33 2 0 24.81-999 ?-999 ?-999 ? O4 PG5 L 166 mTYR^L 35 66.57 52.76 41.57 66.95 53.02 42.46 67.19 50.43 41.29 67.22 50.26 42.51 67.21 51.82 40.65 68.63 52.25 40.22 3 0 23.46-999 ?-999 ?-999 ? O4 PG5 L 166 mVAL^L 36 67.14 49.45 40.42 67.17 49.74 39.46 68.27 47.27 40.39 68.99 47.66 39.46 67.03 48.07 40.82 65.76 47.46 40.21 3 0 24.77-999 ?-999 ?-999 ? O4 PG5 L 166 mPRO^L 37 68.51 46.13 41.06 67.88 45.93 41.81 69.58 44.65 39.31 70.62 44.30 38.76 69.64 45.28 40.69 69.64 44.21 41.76 3 0 23.94-999 ?-999 ?-999 ? O4 PG5 L 166 mPHE^L 38 68.37 44.51 38.76 67.60 44.84 39.32 66.82 44.28 36.88 65.88 44.60 37.62 68.19 43.93 37.45 68.41 42.39 37.47 3 0 27.03-999 ?-999 ?-999 ? O4 PG5 L 166 mTHR^L 39 66.75 44.28 35.57 67.65 44.22 35.14 65.48 43.29 33.75 66.53 42.80 33.36 65.49 44.37 34.82 65.30 45.74 34.13 2 0 30.04-999 ?-999 ?-999 ? O4 PG5 L 166 mILE^L 40 64.28 42.94 33.28 63.51 43.39 33.74 63.29 42.63 31.09 62.27 43.29 31.33 64.10 41.99 32.19 63.42 40.68 32.66 3 0 33.45-999 ?-999 ?-999 ? O4 PG5 L 166 mSER^L 41 63.76 42.46 29.87 64.67 42.04 29.85 63.06 41.68 27.73 64.12 41.33 27.25 63.01 42.85 28.69 63.60 44.07 28.02 2 0 35.75-999 ?-999 ?-999 ? O4 PG5 L 166 mGLY^L 42 61.90 41.08 27.43 61.08 41.52 27.79 62.65 38.77 27.31 62.37 38.42 28.46 61.90 39.88 26.63-999.99-999.99-999.99 1 0 39.00-999 ?-999 ?-999 ? O4 PG5 L 166 mASN^L 43 63.63 38.21 26.62 63.74 38.54 25.69 65.86 37.71 27.55 66.80 36.93 27.58 64.46 37.18 27.24 64.53 35.93 26.37 2 0 38.33-999 ?-999 ?-999 ? O4 PG5 L 166 mLEU^L 44 65.98 39.02 27.70 65.14 39.53 27.53 67.19 40.16 29.50 66.27 40.87 29.85 67.28 39.64 28.08 67.70 40.74 27.10 3 0 34.81-999 ?-999 ?-999 ? O4 PG5 L 166 mLEU^L 45 68.15 39.76 30.32 68.79 39.13 29.89 69.42 41.20 31.78 70.56 40.85 31.38 68.25 40.21 31.69 68.53 39.05 32.61 3 0 31.81-999 ?-999 ?-999 ? O4 PG5 L 166 mTYR^L 46 69.11 42.39 32.26 68.14 42.47 32.47 70.43 43.58 33.91 69.58 43.95 34.68 70.09 43.48 32.45 69.53 44.82 32.02 3 0 28.50-999 ?-999 ?-999 ? O4 PG5 L 166 mVAL^L 47 71.68 43.28 34.26 72.28 43.05 33.49 72.90 44.59 35.85 73.78 44.95 35.04 72.12 43.28 35.63 72.99 42.06 35.96 3 0 25.54-999 ?-999 ?-999 ? O4 PG5 L 166 mSER^L 48 72.54 45.28 36.94 71.79 44.85 37.44 74.68 46.31 37.69 75.07 45.19 38.08 73.19 46.54 37.34 72.49 47.13 38.56 2 0 22.18-999 ?-999 ?-999 ? O4 PG5 L 166 mGLY^L 49 75.50 47.35 37.55 75.07 48.19 37.20 77.09 46.70 39.27 76.48 47.19 40.22 76.91 47.25 37.88-999.99-999.99-999.99 1 0 19.12-999 ?-999 ?-999 ? O4 PG5 L 166 mGLN^L 50 77.85 45.62 39.38 78.21 45.28 38.51 79.54 45.36 41.12 80.45 45.40 40.29 78.11 45.00 40.67 77.94 43.46 40.59 2 0 18.22-999 ?-999 ?-999 ? O1 PG5 L 166 mLEU^L 51 79.68 45.52 42.42 78.80 45.41 42.89 81.50 44.54 43.80 80.81 43.51 43.93 80.92 45.82 43.14 80.65 46.89 44.19 3 0 14.50-999 ?-999 ?-999 ? O1 PG5 L 166 mPRO^L 52 82.78 44.59 44.20 83.26 45.47 44.11 82.99 43.17 46.21 83.83 43.27 47.12 83.39 43.39 44.74 84.89 43.65 44.57 3 0 12.80-999 ?-999 ?-999 ? O1 PG5 L 166 mMETL 53 81.69 42.86 46.40 81.17 42.78 45.55 81.42 41.30 48.25 81.22 40.31 47.55 81.11 42.67 47.72 79.61 42.77 47.70 2 0 14.37-999 ?-999 ?-999 ? O1 PG5 L 166 mGLU^L 54 81.87 41.28 49.50 81.99 42.18 49.92 81.81 40.27 51.66 82.24 41.23 52.28 82.15 40.05 50.20 83.61 39.70 50.03 2 0 15.01-999 ?-999 ?-999 ? O1 PG5 L 166 mSER^L 55 80.98 39.38 52.21 80.75 38.61 51.62 79.90 40.92 53.83 80.09 41.47 54.91 80.47 39.55 53.56 81.58 39.24 54.55 2 0 17.14-999 ?-999 ?-999 ? O1 PG5 L 166 mGLY^L 56 79.20 41.48 52.85 79.16 40.94 52.01 79.46 44.01 52.95 78.99 45.13 53.17 78.56 42.78 53.02-999.99-999.99-999.99 1 0 16.91-999 ?-999 ?-999 ? O1 PG5 L 166 mLYS^L 57 80.74 43.81 52.63 80.96 42.85 52.43 82.34 44.94 51.20 82.43 43.92 50.53 81.71 44.89 52.59 82.81 44.64 53.63 2 0 13.16-999 ?-999 ?-999 ? O1 PG5 L 166 mILE^L 58 82.79 46.11 50.79 82.54 46.89 51.36 84.99 45.62 49.89 85.72 46.16 50.72 83.61 46.20 49.56 83.73 47.64 49.00 3 0 10.49-999 ?-999 ?-999 ? O1 PG5 L 166 mALA^L 59 85.33 44.47 49.30 84.69 44.19 48.58 87.84 44.22 49.08 88.93 43.92 49.62 86.52 43.72 49.67 86.34 42.24 49.31 2 0 9.29-999 ?-999 ?-999 ? O1 PG5 L 166 mVAL^L 60 87.77 44.93 47.96 86.84 45.11 47.66 88.72 46.83 46.77 87.82 47.09 45.95 88.97 45.38 47.24 89.30 44.51 46.03 3 0 6.68-999 ?-999 ?-999 ? O1 PG5 L 166 mTHR^L 61 89.52 47.76 47.29 90.25 47.39 47.86 90.62 49.89 46.58 91.75 49.43 46.83 89.33 49.19 47.05 88.80 49.93 48.27 2 0 -4.69-999 ?-999 ?-999 ? O1 PG5 L 166s mGLY^L 62 90.43 50.98 45.85 89.47 51.19 45.67 91.87 51.49 43.94 91.22 50.66 43.24 91.52 51.79 45.38-999.99-999.99-999.99 1 0 4.12-999 ?-999 ?-999 ? C3 PG5 L 166 mLEU^L 63 92.85 52.23 43.46 93.29 52.81 44.15 94.20 51.05 41.69 95.22 50.83 42.34 93.24 52.19 42.05 93.87 53.54 41.64 3 0 7.03-999 ?-999 ?-999 ? C4 PG5 L 166 mVAL^L 64 93.88 50.33 40.62 93.00 50.56 40.21 96.01 50.04 39.51 95.87 51.02 38.74 94.80 49.30 40.12 94.15 48.29 39.12 3 0 9.10-999 ?-999 ?-999 ? C1 PG5 L 166 mGLY^L 65 97.19 49.60 39.92 97.13 48.79 40.50 98.94 51.22 40.59 100.03 51.78 40.45 98.45 50.24 39.54-999.99-999.99-999.99 1 0 8.43-999 ?-999 ?-999 ? C4 PG5 A 166 mARG^L 66 98.17 51.39 41.67 97.30 50.89 41.64 98.30 51.59 44.11 99.22 51.36 44.89 98.57 52.25 42.78 97.87 53.60 42.72 2 0 -4.89-999 ?-999 ?-999 ? C4 PG5 A 166s mASP^L 67 97.05 51.28 44.34 96.44 51.48 43.57 96.52 49.17 45.56 96.66 48.51 46.60 96.62 50.69 45.61 95.28 51.26 46.00 2 0 -4.44-999 ?-999 ?-999 ? C1 PG5 L 166s mVAL^L 68 96.24 48.63 44.38 96.17 49.29 43.63 96.79 46.74 42.96 96.93 47.49 41.99 96.06 47.20 44.21 94.55 46.77 44.19 3 0 5.56-999 ?-999 ?-999 ? C1 PG5 L 166 mASP^L 69 97.29 45.51 43.03 97.15 45.08 43.91 96.99 44.08 41.04 95.81 44.04 41.33 97.96 44.88 41.91 99.15 44.04 42.40 2 0 9.09-999 ?-999 ?-999 ? C1 PG5 L 166 mVAL^L 70 97.49 43.49 39.97 98.48 43.58 39.86 95.94 41.57 39.76 94.73 41.35 39.62 96.61 42.76 39.04 97.35 42.33 37.76 3 0 12.16-999 ?-999 ?-999 ? C1 PG5 L 166 mALA^L 71 96.69 40.80 40.52 97.65 41.08 40.58 94.97 40.05 42.14 93.90 39.42 42.13 96.12 39.65 41.22 97.21 38.90 42.01 2 0 12.48-999 ?-999 ?-999 ? C1 PG5 L 166 mSER^L 72 95.18 41.09 42.96 96.08 41.51 42.91 92.92 42.04 43.06 91.79 41.80 43.43 94.13 41.54 43.85 94.62 42.65 44.74 2 0 9.28-999 ?-999 ?-999 ? C1 PG5 L 166 mALA^L 73 93.16 42.78 41.98 94.14 42.95 41.83 91.29 42.12 40.45 90.09 42.20 40.25 92.09 43.28 41.12 92.67 44.23 40.07 2 0 10.27-999 ?-999 ?-999 ? C1 PG5 L 166 mGLN^L 74 92.00 41.06 40.10 92.99 41.17 40.23 90.39 39.27 40.57 89.27 38.90 40.19 91.37 39.87 39.55 92.42 38.85 39.10 2 0 13.74-999 ?-999 ?-999 ? C1 PG5 L 166 mARG^L 75 90.79 39.19 41.83 91.74 39.44 42.00 88.69 39.72 43.03 87.56 39.29 43.21 89.88 38.77 42.88 90.60 38.68 44.22 2 0 12.99-999 ?-999 ?-999 ? C1 PG5 L 166 mALA^L 76 88.92 41.02 42.91 89.88 41.27 42.86 86.83 41.62 41.71 85.60 41.62 41.89 87.78 41.97 42.85 88.27 43.43 42.70 2 0 11.68-999 ?-999 ?-999 ? O1 PG5 L 166 mALA^L 77 87.40 41.30 40.54 88.40 41.29 40.55 85.82 39.68 39.61 84.63 39.61 39.30 86.60 40.98 39.37 87.46 40.88 38.12 2 0 14.99-999 ?-999 ?-999 ? O1 PG5 L 166 mGLU^L 78 86.47 38.68 40.20 87.44 38.86 40.34 84.58 37.75 41.48 83.47 37.24 41.24 85.78 37.44 40.58 86.76 36.48 41.25 2 0 16.97-999 ?-999 ?-999 ? C1 PG5 L 166 mLEU^L 79 84.79 38.60 42.50 85.72 38.95 42.58 82.57 39.71 42.68 81.38 39.50 42.99 83.70 38.97 43.41 84.21 39.78 44.62 3 0 15.78-999 ?-999 ?-999 ? O1 PG5 L 166 mCYH^L 80 82.92 40.60 41.74 83.90 40.73 41.62 81.02 40.26 40.26 79.78 40.38 40.22 81.88 41.30 40.97 82.52 42.26 39.96 2 0 16.62-999 ?-999 ?-999 ? O1 PG5 L 166 mALA^L 81 81.70 39.26 39.70 82.69 39.34 39.86 80.19 37.31 39.82 79.11 36.92 39.39 81.09 38.15 38.92 82.16 37.29 38.23 2 0 19.94-999 ?-999 ?-999 ? O1 PG5 L 166 mVAL^L 82 80.63 37.04 41.05 81.55 37.40 41.23 78.52 37.04 42.37 77.43 36.45 42.46 79.82 36.30 42.03 80.63 36.00 43.33 3 0 20.57-999 ?-999 ?-999 ? O1 PG5 L 166 mASN^L 83 78.65 38.35 42.53 79.60 38.67 42.45 76.58 39.32 41.60 75.34 39.31 41.78 77.54 39.24 42.78 78.05 40.62 43.24 2 0 20.20-999 ?-999 ?-999 ? O1 PG5 L 166 mILE^L 84 77.12 39.33 40.38 78.12 39.39 40.37 75.45 37.95 39.24 74.23 37.96 39.04 76.27 39.26 39.19 77.08 39.32 37.86 3 0 22.57-999 ?-999 ?-999 ? O1 PG5 L 166 mLEU^L 85 76.13 36.85 39.51 77.10 37.02 39.69 74.37 35.46 40.62 73.30 34.91 40.38 75.46 35.51 39.53 76.49 34.39 39.69 3 0 25.00-999 ?-999 ?-999 ? O1 PG5 L 166 mALA^L 86 74.61 36.06 41.78 75.54 36.43 41.87 72.36 36.89 42.30 71.22 36.47 42.52 73.60 36.17 42.83 74.16 36.88 44.09 2 0 24.97-999 ?-999 ?-999 ? O1 PG5 L 166 mGLN^L 87 72.59 37.99 41.58 73.55 38.24 41.47 70.71 37.93 39.97 69.49 37.93 39.94 71.47 38.74 41.02 71.95 40.08 40.42 2 0 25.97-999 ?-999 ?-999 ? O1 PG5 L 166 mVAL^L 88 71.44 37.24 39.10 72.43 37.34 39.21 69.98 35.28 38.73 68.87 35.00 38.27 70.82 36.39 38.09 71.83 35.79 37.12 3 0 28.61-999 ?-999 ?-999 ? O1 PG5 L 166 mLYS^L 89 70.51 34.67 39.78 71.42 35.00 40.03 68.50 34.16 41.05 67.44 33.52 40.94 69.80 33.61 40.48 70.67 33.02 41.58 2 0 30.02-999 ?-999 ?-999 ? O1 PG5 L 166 mALA^L 90 68.56 35.35 41.66 69.49 35.71 41.76 66.34 36.34 41.02 65.14 36.04 41.16 67.35 36.05 42.15 67.70 37.33 42.90 2 0 30.38-999 ?-999 ?-999 ? O1 PG5 L 166 mALA^L 91 66.83 36.91 39.91 67.80 37.15 39.97 65.36 35.85 38.20 64.25 35.90 37.65 66.01 37.15 38.72 66.81 37.77 37.61 2 0 32.02-999 ?-999 ?-999 ? O1 PG5 L 166 mLEU^L 92 66.03 34.71 38.37 66.87 34.80 38.92 64.89 32.55 38.81 64.77 31.32 38.61 65.57 33.46 37.78 66.72 32.76 37.07 3 0 34.33-999 ?-999 ?-999 ? O1 PG5 L 166 mASN^L 93 64.44 33.16 39.90 64.63 34.14 39.90 64.47 31.24 41.53 63.87 30.21 41.87 63.73 32.46 40.97 62.31 32.12 40.50 2 0 35.42-999 ?-999 ?-999 ? O1 PG5 L 166 mGLY^L 94 65.79 31.38 41.63 66.13 32.25 41.27 67.31 29.49 41.20 68.03 28.56 41.54 66.64 30.37 42.23-999.99-999.99-999.99 1 0 33.89-999 ?-999 ?-999 ? O1 PG5 L 166 mASP^L 95 67.10 29.79 39.93 66.71 30.70 39.77 68.53 29.31 37.87 68.24 29.67 36.74 67.43 28.85 38.87 66.11 28.53 38.15 2 0 35.04-999 ?-999 ?-999 ? O1 PG5 L 166 mLEU^L 96 69.80 29.23 38.28 69.89 28.91 39.23 71.04 28.75 36.10 71.80 29.10 35.20 70.94 29.57 37.41 72.27 29.50 38.18 3 0 32.56-999 ?-999 ?-999 ? O1 PG5 L 166 mSER^L 97 70.28 27.67 36.02 69.72 27.50 36.84 69.37 27.36 33.73 69.43 26.89 32.60 70.25 26.80 34.85 69.75 25.42 35.26 2 0 35.77-999 ?-999 ?-999 ? O1 PG5 L 166 mLYS^L 98 68.58 28.38 34.06 68.58 28.60 35.03 68.57 30.21 32.36 67.99 30.93 31.55 67.79 29.11 33.08 66.54 29.69 33.74 2 0 36.77-999 ?-999 ?-999 ? O1 PG5 L 166 mILE^L 99 69.86 30.34 32.64 70.17 29.85 33.46 70.92 30.44 30.43 71.33 29.27 30.39 70.74 31.15 31.79 72.14 31.39 32.44 3 0 34.24-999 ?-999 ?-999 ? O1 PG5 L 166 mARG^L 100 70.60 31.11 29.34 70.17 32.00 29.50 72.27 30.96 27.52 73.01 30.15 26.96 70.88 30.56 28.01 69.80 30.98 27.02 2 0 36.53-999 ?-999 ?-999 ? O1 PG5 L 166 mARG^L 101 72.63 32.20 27.78 71.95 32.72 28.29 74.20 34.04 28.09 73.29 34.87 28.25 73.92 32.75 27.35 73.83 33.05 25.86 2 0 33.94-999 ?-999 ?-999 ? O4 PG5 G 166 mVAL^L 102 75.43 34.18 28.59 75.99 33.35 28.60 76.30 36.22 27.78 77.26 35.86 27.07 75.90 35.47 29.06 77.08 35.37 30.08 3 0 30.40-999 ?-999 ?-999 ? O1 PG5 L 166 mILE^L 103 75.54 37.25 27.47 74.86 37.48 28.17 76.89 38.96 26.23 77.69 39.02 25.27 75.71 37.97 26.22 74.40 38.69 25.86 3 0 29.86-999 ?-999 ?-999 ? O4 PG5 G 166 mLYS^L 104 77.01 39.70 27.34 76.39 39.42 28.07 78.27 41.14 28.91 77.38 41.17 29.74 77.96 40.82 27.44 77.36 42.03 26.76 2 0 26.49-999 ?-999 ?-999 ? O4 PG5 G 166 mLEU^L 105 79.54 41.39 29.22 80.17 41.15 28.49 80.66 43.27 30.20 81.47 43.33 29.26 79.95 41.96 30.51 80.94 41.04 31.24 3 0 24.13-999 ?-999 ?-999 ? O4 PG5 G 166 mASN^L 106 80.33 44.32 30.95 79.51 44.21 31.51 81.93 45.62 32.18 81.38 45.80 33.27 81.13 45.53 30.91 80.29 46.77 30.66 2 0 21.82-999 ?-999 ?-999 ? O4 PG5 G 166 mGLY^L 107 83.26 45.56 32.01 83.55 45.52 31.06 84.85 46.92 33.28 85.62 47.35 32.41 84.18 45.56 33.12-999.99-999.99-999.99 1 0 19.10-999 ?-999 ?-999 ? O1 PG5 L 166 mPHE^L 108 84.54 47.59 34.39 83.88 47.14 34.99 86.17 48.70 35.77 85.87 48.20 36.87 85.10 48.87 34.69 83.97 49.76 35.17 3 0 16.65-999 ?-999 ?-999 ? C4 PG5 L 166 mVAL^L 109 87.40 49.09 35.46 87.48 49.49 34.55 89.11 50.31 36.80 89.64 51.03 35.96 88.53 48.94 36.40 89.67 48.13 35.77 3 0 13.79-999 ?-999 ?-999 ? O1 PG5 L 166 mALA^L 110 89.02 50.65 38.07 88.54 49.97 38.63 91.08 51.82 38.41 91.70 50.87 38.92 89.57 51.92 38.59 89.19 52.13 40.06 2 0 10.69-999 ?-999 ?-999 ? C4 PG5 L 166 mSER^L 111 91.65 52.75 37.64 91.07 53.55 37.46 93.78 53.88 37.24 93.24 54.94 37.02 93.01 52.60 37.12 92.95 52.23 35.62 2 0 11.44-999 ?-999 ?-999 ? C7 PG5 G 166 mVAL^L 112 95.08 53.79 37.54 95.38 52.94 37.96 96.21 54.94 35.73 96.08 53.91 35.09 95.94 54.96 37.24 97.26 54.99 38.05 3 0 9.61-999 ?-999 ?-999 ? C7 PG5 G 166 mPRO^L 113 96.53 56.12 35.16 96.63 56.89 35.79 97.82 55.38 33.10 97.79 55.11 31.89 96.71 56.22 33.71 96.93 57.71 33.49 3 0 7.23-999 ?-999 ?-999 ? C7 PG5 G 166 mGLU^L 114 98.78 54.94 33.91 98.71 55.27 34.85 99.43 52.59 33.47 100.14 51.74 32.98 99.84 54.06 33.43 101.13 54.23 34.25 2 0 -4.16-999 ?-999 ?-999 ? C7 PG5 G 166s mPHE^L 115 98.30 52.30 34.12 97.83 53.08 34.52 97.03 50.57 32.95 96.05 51.24 32.62 97.82 50.92 34.21 96.97 50.64 35.45 3 0 6.23-999 ?-999 ?-999 ? O4 PG5 G 166 mVAL^L 116 97.49 49.51 32.27 98.22 49.02 32.75 96.66 47.63 30.81 96.68 47.06 29.68 96.96 49.14 30.94 97.88 49.64 29.81 3 0 5.79-999 ?-999 ?-999 ? O4 PG5 G 166 mGLU^L 117 96.34 46.98 31.94 96.34 47.53 32.77 94.63 45.28 32.42 94.35 44.26 33.09 96.02 45.56 31.91 97.08 44.78 32.69 2 0 8.80-999 ?-999 ?-999 ? O4 PG5 G 166 mGLN^L 118 93.71 46.17 32.06 94.04 46.94 31.52 91.74 44.68 31.90 90.86 44.10 32.51 92.32 45.98 32.47 91.47 47.15 32.02 2 0 11.57-999 ?-999 ?-999 ? O4 PG5 G 166 mHIS^L 119 92.22 44.25 30.75 92.88 44.87 30.33 92.13 41.79 31.11 91.33 40.91 31.36 91.77 42.94 30.18 92.31 42.74 28.74 3 0 13.43-999 ?-999 ?-999 ? O4 PG5 G 166 mLEU^L 120 93.33 41.82 31.67 93.90 42.57 31.35 92.92 40.85 33.93 92.57 39.79 34.49 93.76 40.84 32.66 95.24 41.05 32.98 3 0 13.88-999 ?-999 ?-999 ? O4 PG5 G 166 mVAL^L 121 92.59 42.05 34.38 92.94 42.82 33.83 90.40 41.53 35.33 89.89 40.76 36.16 91.78 42.18 35.58 91.65 43.66 36.01 3 0 15.11-999 ?-999 ?-999 ? O4 PG5 G 166 mILE^L 122 89.78 41.86 34.21 90.32 42.44 33.60 88.43 39.87 33.60 87.42 39.21 33.83 88.42 41.38 33.94 87.68 42.26 32.88 3 0 17.54-999 ?-999 ?-999 ? O4 PG5 G 166 mASN^L 123 89.57 39.33 33.15 90.29 39.99 32.93 89.37 37.17 34.32 88.87 36.06 34.30 89.72 37.86 33.02 91.13 37.47 32.55 2 0 18.74-999 ?-999 ?-999 ? O4 PG5 G 166 mGLY^L 124 89.58 37.81 35.47 90.11 38.66 35.37 87.61 36.93 36.68 87.23 35.78 36.94 89.09 37.29 36.76-999.99-999.99-999.99 1 0 18.02-999 ?-999 ?-999 ? C1 PG5 L 166 mALA^L 125 86.77 37.89 36.27 87.21 38.78 36.11 85.08 36.65 34.94 84.32 35.70 35.12 85.33 37.64 36.07 84.56 38.94 35.82 2 0 19.74-999 ?-999 ?-999 ? C1 PG5 L 166 mSER^L 126 85.69 36.87 33.79 86.37 37.60 33.83 85.67 34.60 32.78 84.86 33.72 32.44 85.37 36.09 32.58 86.10 36.64 31.36 2 0 22.94-999 ?-999 ?-999 ? O4 PG5 G 166 mASN^L 127 86.81 34.31 33.39 87.33 35.13 33.63 86.34 32.22 34.67 86.01 31.03 34.48 87.25 32.94 33.67 88.67 32.94 34.19 2 0 23.60-999 ?-999 ?-999 ? C1 PG5 L 166 mLEU^L 128 85.92 32.94 35.71 86.28 33.87 35.74 83.65 32.06 36.07 83.12 30.94 36.22 85.01 32.40 36.71 84.86 33.38 37.88 3 0 22.96-999 ?-999 ?-999 ? C1 PG5 L 166 mILE^L 129 83.10 33.01 35.34 83.65 33.85 35.28 81.82 31.67 33.67 80.92 30.83 33.67 81.80 32.83 34.69 81.30 34.19 34.06 3 0 25.28-999 ?-999 ?-999 ? C1 PG5 L 166 mALA^L 130 82.86 31.60 32.85 83.52 32.34 32.96 83.17 29.16 32.55 82.59 28.17 32.12 83.00 30.52 31.87 84.15 30.81 30.92 2 0 27.93-999 ?-999 ?-999 ? C1 PG5 L 166 mTHR^L 131 83.93 29.15 33.65 84.33 30.03 33.88 82.87 27.37 35.04 82.62 26.18 34.94 84.15 27.93 34.42 85.23 28.15 35.49 2 0 27.85-999 ?-999 ?-999 ? C1 PG5 L 166 mVAL^L 132 82.07 28.20 35.69 82.34 29.17 35.65 79.73 27.42 35.44 78.92 26.53 35.71 80.89 27.71 36.40 80.46 28.64 37.54 3 0 28.45-999 ?-999 ?-999 ? C1 PG5 L 166 mLEU^L 133 79.65 28.13 34.32 80.40 28.78 34.20 78.89 27.13 32.12 77.99 26.70 31.40 78.54 27.97 33.36 78.02 29.35 32.91 3 0 30.90-999 ?-999 ?-999 ? C1 PG5 L 166 mGLY^L 134 80.17 26.91 31.85 80.80 27.21 32.57 80.40 27.15 29.40 80.45 28.40 29.50 80.60 26.26 30.62-999.99-999.99-999.99 1 0 32.60-999 ?-999 ?-999 ? C1 PG5 L 166 mGLU^L 135 80.14 26.53 28.25 80.03 25.54 28.32 79.06 28.44 27.04 79.38 29.50 26.49 80.05 27.27 26.99 79.69 26.34 25.81 2 0 32.90-999 ?-999 ?-999 ? O4 PG5 G 166 mPRO^L 136 77.87 28.25 27.64 77.69 27.33 27.99 77.49 30.61 28.48 76.95 31.71 28.32 76.94 29.40 27.74 75.77 28.85 28.54 3 0 33.56-999 ?-999 ?-999 ? O4 PG5 G 166 mGLY^L 137 78.51 30.38 29.32 78.78 29.42 29.41 80.08 32.34 29.19 80.49 33.40 29.68 79.16 31.46 30.03-999.99-999.99-999.99 1 0 30.25-999 ?-999 ?-999 ? O1 PG5 L 166 mARG^L 138 80.43 31.92 27.97 80.02 31.06 27.68 80.61 33.88 26.58 79.51 33.73 26.06 81.37 32.70 27.16 82.00 31.87 26.07 2 0 28.12-999 ?-999 ?-999 ? O4 PG5 G 166 mHIS^L 139 81.21 35.06 26.69 82.18 35.02 26.91 81.29 37.34 25.73 82.51 37.31 25.76 80.48 36.31 26.50 80.17 36.87 27.88 3 0 26.63-999 ?-999 ?-999 ? O4 PG5 G 166 mALA^L 140 80.59 38.24 25.06 79.63 37.98 24.92 81.61 40.33 25.79 81.14 40.13 26.90 81.20 39.48 24.56 80.24 40.26 23.66 2 0 24.66-999 ?-999 ?-999 ? O4 PG5 G 166 mARG^L 141 82.49 41.31 25.58 82.72 41.48 24.62 83.62 43.38 26.28 84.09 43.56 25.16 83.04 42.04 26.69 84.18 41.24 27.28 2 0 21.50-999 ?-999 ?-999 ? O4 PG5 G 166 mALA^L 142 83.65 44.28 27.24 83.05 44.04 28.01 85.25 45.58 28.51 84.74 45.18 29.54 84.49 45.51 27.18 83.64 46.74 26.98 2 0 18.76-999 ?-999 ?-999 ? O4 PG5 G 166 mALA^L 143 86.49 46.05 28.47 86.82 46.28 27.55 87.96 47.58 29.55 88.69 47.85 28.58 87.30 46.21 29.67 88.35 45.12 29.81 2 0 15.71-999 ?-999 ?-999 ? O4 PG5 G 166 mVAL^L 144 87.69 48.46 30.50 87.18 48.08 31.27 88.60 50.42 31.72 88.20 49.98 32.78 88.10 49.86 30.39 86.94 50.72 29.83 3 0 14.09-999 ?-999 ?-999 ? O4 PG5 G 166 mGLY^L 145 89.45 51.44 31.64 89.67 51.73 30.71 89.28 53.35 33.24 89.19 54.31 32.46 90.01 52.07 32.83-999.99-999.99-999.99 1 0 12.36-999 ?-999 ?-999 ? C7 PG5 G 166 mMETL 146 88.84 53.37 34.49 89.13 52.56 35.01 88.88 55.29 36.02 89.87 54.81 36.57 88.02 54.43 35.07 86.86 53.86 35.88 2 0 13.84-999 ?-999 ?-999 ? O3 PG5 L 166 mALA^L 147 88.48 56.53 36.23 87.67 56.77 35.69 88.96 56.94 38.62 89.86 57.02 39.45 89.14 57.44 37.18 88.61 58.88 37.05 2 0 11.26-999 ?-999 ?-999 ? C7 PG5 L 166 mSER^L 148 87.77 56.38 38.88 87.18 56.31 38.07 85.99 55.29 40.12 85.32 55.46 39.11 87.39 55.92 40.21 87.39 57.08 41.23 2 0 8.70-999 ?-999 ?-999 ? C7 PG5 L 166 mLEU^L 149 85.55 54.65 41.20 86.20 54.69 41.96 83.55 54.18 42.60 84.21 54.52 43.59 84.24 53.95 41.24 84.41 52.45 40.96 3 0 9.65-999 ?-999 ?-999 ? O4 PG5 L 166 mPRO^L 150 82.21 54.02 42.64 81.79 53.82 41.76 82.11 53.33 45.04 82.58 52.20 44.83 81.45 54.14 43.91 80.07 53.58 43.55 3 0 9.32-999 ?-999 ?-999 ? O4 PG5 L 166 mPHE^L 151 82.17 53.94 46.23 81.80 54.87 46.22 84.22 52.93 47.31 84.74 52.11 48.07 82.73 53.30 47.43 81.93 52.06 47.80 3 0 7.29-999 ?-999 ?-999 ? O4 PG5 L 166 mASN^L 152 84.88 53.56 46.33 84.34 54.25 45.84 86.51 51.82 45.59 87.61 51.32 45.74 86.27 53.27 46.00 87.15 53.68 47.18 2 0 -5.81-999 ?-999 ?-999 ? O4 PG5 L 166s mALA^L 153 85.49 51.16 45.02 84.62 51.66 45.02 86.74 49.84 43.41 86.85 50.80 42.62 85.64 49.83 44.46 84.35 49.36 43.83 2 0 8.89-999 ?-999 ?-999 ? C3 PG5 L 166 mSER^L 154 87.54 48.78 43.40 87.37 48.12 44.14 87.97 48.26 41.01 88.50 48.62 39.97 88.57 48.65 42.37 89.69 47.69 42.83 2 0 8.51-999 ?-999 ?-999 ? O1 PG5 L 166 mVAL^L 155 86.88 47.52 41.02 86.54 47.33 41.94 84.71 47.08 40.03 84.21 46.87 41.15 86.23 47.02 39.81 86.67 45.54 39.46 3 0 12.22-999 ?-999 ?-999 ? O1 PG5 L 166 mGLU^L 156 84.01 47.40 38.96 84.60 47.71 38.21 82.25 46.61 37.52 82.88 46.92 36.51 82.54 47.31 38.86 81.89 48.68 38.86 2 0 15.27-999 ?-999 ?-999 ? O1 PG5 L 166 mILE^L 157 81.31 45.67 37.53 80.85 45.54 38.41 79.48 44.74 36.19 78.79 44.31 37.13 80.99 44.90 36.34 81.60 43.46 36.33 3 0 18.62-999 ?-999 ?-999 ? O1 PG5 L 166 mASP^L 158 78.97 45.09 35.01 79.64 45.48 34.38 77.41 43.81 33.64 78.41 43.33 33.09 77.54 44.88 34.71 76.86 46.18 34.33 2 0 22.11-999 ?-999 ?-999 ? O4 PG5 L 166 mALA^L 159 76.17 43.40 33.35 75.44 43.95 33.75 74.65 42.25 31.76 73.68 42.81 32.26 75.98 42.22 32.49 76.07 40.92 33.29 2 0 25.39-999 ?-999 ?-999 ? O1 PG5 L 166 mILE^L 160 74.64 41.60 30.60 75.55 41.34 30.27 73.40 39.78 29.68 74.41 39.22 29.25 73.39 41.30 29.88 73.29 41.99 28.52 3 0 29.18-999 ?-999 ?-999 ? O1 PG5 L 166 mVAL^L 161 72.30 39.13 30.01 71.52 39.72 30.22 70.96 37.24 29.31 69.88 37.73 29.59 72.25 37.68 30.06 72.23 37.16 31.53 3 0 31.09-999 ?-999 ?-999 ? O1 PG5 L 166 mGLU^L 162 71.11 36.36 28.34 72.06 36.15 28.11 69.42 34.64 28.57 70.19 33.75 28.94 69.93 35.79 27.68 70.26 35.29 26.29 2 0 34.89-999 ?-999 ?-999 ? O1 PG5 L 166 mILE^L 163 68.12 34.68 28.89 67.61 35.40 28.40 66.31 33.03 29.24 65.74 33.50 28.26 67.50 33.76 29.85 67.04 34.46 31.15 3 0 36.19-999 ?-999 ?-999 ? O1 PG5 L 166 mASP^L 164 65.99 31.89 29.84 66.66 31.59 30.51 63.53 31.87 30.09 63.33 31.88 31.30 64.75 31.17 29.53 64.82 29.77 30.11 2 0 39.54-999 ?-999 ?-999 ? O1 PG5 L 166 mVAL^L 165 62.72 32.43 29.19 63.03 32.31 28.25 60.30 32.35 29.04 60.43 31.55 28.09 61.50 33.14 29.55 61.53 34.59 28.96 3 0 41.09-999 ?-999 ?-999 ? O1 PG5 L 166