REMARK SOURCE hebe.pdb 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 >GLY~A 1 134.79 76.63 81.00 134.10 77.00 80.71 134.44 76.81 80.85 1 0 27.68 -999 ? C8 PG5 B 166 >THR~A 2 131.35 77.05 82.54 131.40 78.09 84.48 131.38 77.57 83.51 2 0 28.43 -999 ? C8 PG5 B 166 >GLU~A 3 131.43 81.25 78.82 133.19 82.48 78.73 132.31 81.87 78.77 2 0 33.97 -999 ? C8 PG5 B 166 >ASN~A 4 132.18 74.36 77.89 133.85 75.41 77.09 133.02 74.88 77.49 2 0 28.01 -999 ? C8 PG5 B 166 >LEU~A 5 128.95 74.29 82.22 128.28 72.89 83.69 128.62 73.59 82.96 3 0 24.90 -999 ? C8 PG5 B 166 >TYR~A 6 125.58 79.22 79.17 123.59 80.89 78.18 124.58 80.05 78.68 3 0 33.17 -999 ? C8 PG5 B 166 >PHE~A 7 127.10 77.01 74.43 127.11 79.57 73.28 127.10 78.29 73.86 3 0 32.89 -999 ? C8 PG5 B 166 >GLN~A 8 126.24 69.88 78.75 127.52 68.97 80.23 126.88 69.43 79.49 2 0 21.97 -999 ? C8 PG5 B 166 >GLY~A 9 122.78 73.32 79.64 122.88 73.39 78.82 122.83 73.35 79.23 1 0 27.64 -999 ? C8 PG5 B 166 >MET?A 10 121.06 75.07 76.74 122.24 78.93 75.10 121.65 77.00 75.92 2 0 34.29 -999 ? C8 PG5 B 166 >SER~A 11 121.23 71.85 74.61 123.37 72.01 73.52 122.30 71.93 74.07 2 0 29.04 -999 ? O1 PG5 C 166 >ASP~A 12 120.25 69.82 78.94 122.03 68.67 79.28 121.14 69.25 79.11 2 0 24.37 -999 ? O1 PG5 C 166 >VAL~A 13 116.90 72.34 77.61 116.60 74.31 78.57 116.75 73.32 78.09 3 0 30.69 -999 ? O1 PG5 C 166 >ILE~A 14 117.25 72.53 72.71 117.78 73.27 71.65 117.51 72.90 72.18 3 0 31.15 -999 ? C8 PG5 A 166 >GLU~A 15 118.50 67.46 72.94 119.75 65.78 72.80 119.13 66.62 72.87 2 0 25.10 -999 ? O1 PG5 C 166 >GLY~A 16 114.16 68.22 76.96 114.02 68.58 76.25 114.09 68.40 76.61 1 0 27.88 -999 ? O1 PG5 C 166 >ARG~A 17 112.65 74.21 75.15 113.95 76.97 75.49 113.30 75.59 75.32 2 0 33.94 -999 ? C8 PG5 A 166 >LEU~A 18 112.67 67.73 71.54 112.54 67.10 69.47 112.60 67.42 70.50 3 0 24.46 -999 ? C8 PG5 A 166 >LYS~A 19 110.89 65.10 74.73 116.18 62.64 77.17 113.53 63.87 75.95 2 0 22.43 -999 ? O1 PG5 C 166 >GLU~A 20 108.79 68.50 78.28 109.23 70.45 79.03 109.01 69.48 78.66 2 0 31.13 -999 ? C8 PG5 A 166 >LEU~A 21 106.99 68.04 71.66 106.68 70.15 71.35 106.83 69.10 71.51 3 0 23.73 -999 ? C8 PG5 A 166 >GLY.A 22 106.88 63.43 72.76 107.46 63.81 72.39 107.17 63.62 72.57 1 0 22.04 -999 ? C8 PG5 A 166 >PHE.A 23 108.85 64.02 68.57 106.47 64.50 67.20 107.66 64.26 67.89 3 0 18.65 -999 ? C8 PG5 A 166 >THR.A 24 113.49 61.69 71.15 113.29 59.74 72.05 113.39 60.71 71.60 2 0 23.31 -999 ? C8 PG5 A 166 >LEU.A 25 117.45 63.32 68.81 117.45 65.48 68.67 117.45 64.40 68.74 3 0 24.99 -999 ? C8 PG5 A 166 >PRO.A 26 116.27 60.59 64.61 116.98 60.09 66.68 116.62 60.34 65.65 3 0 21.31 -999 ? C8 PG5 A 166 >VAL.A 27 121.03 58.69 66.10 122.28 56.92 66.44 121.65 57.81 66.27 3 0 21.86 -999 ? C8 PG5 C 166 >ALA.A 33 127.20 58.17 50.24 125.66 58.26 50.25 126.43 58.21 50.24 2 0 21.10 -999 ? C1 PG5 A 166 >ASN.A 34 128.23 60.43 46.06 129.79 59.05 45.61 129.01 59.74 45.83 2 0 25.14 -999 ? C1 PG5 A 166 >TYR.A 35 123.25 62.23 48.78 121.35 60.20 49.04 122.30 61.21 48.91 3 0 18.89 -999 ? C1 PG5 A 166 >VAL.A 36 125.83 63.91 52.79 127.76 64.91 52.69 126.79 64.41 52.74 3 0 24.89 -999 ? C1 PG5 A 166 >PRO.A 37 124.34 63.17 56.78 123.75 64.55 55.08 124.04 63.86 55.93 3 0 23.30 -999 ? C1 PG5 A 166 >PHE^A 38 125.49 68.08 58.22 127.27 66.79 59.94 126.38 67.43 59.08 3 0 28.14 -999 ? C1 PG5 A 166 >THR^A 39 127.40 70.72 54.67 127.09 70.75 52.53 127.24 70.74 53.60 2 0 28.62 -999 ? C1 PG5 A 166 >ILE^A 40 129.46 73.76 57.67 129.51 73.91 59.11 129.49 73.83 58.39 3 0 33.84 -999 ? C1 PG5 A 166 >SER^A 41 129.90 77.07 54.49 130.08 78.36 52.42 129.99 77.72 53.45 2 0 35.90 -999 ? C1 PG5 A 166 >GLY.A 42 130.99 79.92 56.75 130.62 79.16 56.92 130.81 79.54 56.83 1 0 38.47 -999 ? C1 PG5 A 166 >ASN.A 43 128.37 81.19 60.52 127.41 82.94 59.80 127.89 82.07 60.16 2 0 39.39 -999 ? C1 PG5 A 166 >LEU^A 44 125.25 79.14 56.09 123.90 80.90 56.05 124.58 80.02 56.07 3 0 34.46 -999 ? C1 PG5 A 166 >LEU^A 45 124.32 74.31 59.24 124.40 72.22 59.99 124.36 73.26 59.61 3 0 30.50 -999 ? C1 PG5 A 166 >TYR^A 46 123.30 74.66 52.90 123.16 77.20 51.83 123.23 75.93 52.37 3 0 29.66 -999 ? C1 PG5 A 166 >VAL^A 47 120.78 70.24 55.94 120.09 69.84 58.02 120.43 70.04 56.98 3 0 24.86 -999 ? C1 PG5 A 166 >SER^A 48 119.64 67.72 53.33 121.60 66.60 52.49 120.62 67.16 52.91 2 0 21.90 -999 ? C1 PG5 A 166 >GLY^A 49 115.96 66.93 52.77 116.60 66.49 53.14 116.28 66.71 52.95 1 0 18.49 -999 ? C1 PG5 A 166 >GLN^A 50 116.38 65.93 57.45 117.83 64.41 57.21 117.10 65.17 57.33 2 0 19.69 -999 ? C1 PG5 A 166 >LEU.A 51 112.16 61.06 54.71 112.52 61.05 52.56 112.34 61.06 53.64 3 0 12.53 -999 ? C1 PG5 A 166 >PRO.A 52 107.85 61.08 56.74 109.82 61.49 57.71 108.83 61.29 57.23 3 0 11.42 -999 ? C8 PG5 A 166 >MET?A 53 111.79 58.73 59.84 113.26 57.34 57.34 112.52 58.03 58.59 2 0 13.52 -999 ? C1 PG5 A 166 >GLU.A 54 108.99 57.21 64.96 107.09 57.95 65.52 108.04 57.58 65.24 2 0 14.26 -999 ? C8 PG5 A 166 >SER.A 55 112.54 54.01 64.50 110.80 53.81 66.24 111.67 53.91 65.37 2 0 16.84 -999 ? C8 PG5 A 166 >GLY.A 56 114.39 53.51 61.22 113.65 53.71 61.21 114.02 53.61 61.22 1 0 16.55 -999 ? C1 PG5 A 166 >LYS^A 57 111.23 53.52 59.03 109.27 47.75 61.08 110.25 50.64 60.05 2 0 14.23 -999 ? C8 PG5 A 166 >ILE^A 58 109.11 56.18 55.46 109.83 57.41 55.11 109.47 56.79 55.28 3 0 9.83 -999 ? C1 PG5 A 166 >ALA.A 59 106.36 56.70 59.41 106.55 57.56 60.65 106.46 57.13 60.03 2 0 10.04 -999 ? C8 PG5 A 166 >VAL.A 60 103.86 58.46 57.13 102.77 60.15 58.16 103.32 59.30 57.65 3 0 6.72 -999 ? C8 PG5 A 166 >THR.A 61 103.49 57.61 53.43 104.17 55.57 53.60 103.83 56.59 53.51 2 0 -4.33 -999 ? C8 PG5 A 166s >GLY.A 62 101.28 58.62 50.51 101.67 59.17 50.90 101.47 58.89 50.71 1 0 4.23 -999 ? C7 PG5 A 166 >LEU.A 63 98.94 61.69 47.84 100.07 61.43 45.97 99.51 61.56 46.91 3 0 7.07 -999 ? C5 PG5 A 166 >VAL.A 64 98.01 64.33 51.47 98.91 65.64 52.96 98.46 64.98 52.21 3 0 9.89 -999 ? C8 PG5 A 166 >GLY.A 65 94.33 64.61 50.52 94.73 63.91 50.52 94.53 64.26 50.52 1 0 8.56 -999 ? C7 PG5 L 166 >ARG.A 66 95.18 58.96 46.09 92.94 57.15 45.03 94.06 58.06 45.56 2 0 -3.47 -999 ? O3 PG5 L 166s >ASP.A 67 97.57 58.06 51.19 97.44 57.42 49.23 97.50 57.74 50.21 2 0 3.84 -999 ? O3 PG5 A 166 >VAL.A 68 96.74 60.89 54.64 98.93 60.99 54.47 97.83 60.94 54.55 3 0 6.09 -999 ? C8 PG5 A 166 >ASP~A 69 93.65 63.54 57.16 94.13 62.88 59.13 93.89 63.21 58.15 2 0 11.04 -999 ? C8 PG5 A 166 >VAL~A 70 96.26 67.09 57.53 95.79 69.23 57.27 96.02 68.16 57.40 3 0 13.06 -999 ? C8 PG5 K 166 >ALA~A 71 96.76 65.87 61.12 95.70 65.41 62.08 96.23 65.64 61.60 2 0 13.89 -999 ? C8 PG5 A 166 >SER~A 72 98.70 62.81 59.92 97.23 60.90 59.82 97.97 61.85 59.87 2 0 8.83 -999 ? C8 PG5 A 166 >ALA~A 73 100.77 64.99 57.53 100.17 65.79 56.38 100.47 65.39 56.95 2 0 10.90 -999 ? C8 PG5 A 166 >GLN~A 74 99.74 69.25 60.58 98.09 70.11 61.60 98.92 69.68 61.09 2 0 16.86 -999 ? C8 PG5 K 166 >ARG~A 75 103.54 62.68 64.74 104.46 61.22 67.28 104.00 61.95 66.01 2 0 15.67 -999 ? C8 PG5 A 166 >ALA~A 76 105.11 63.61 59.26 104.59 63.40 57.81 104.85 63.51 58.53 2 0 10.34 -999 ? C8 PG5 A 166 >ALA~A 77 106.31 67.25 59.23 105.47 68.45 58.95 105.89 67.85 59.09 2 0 15.32 -999 ? C8 PG5 A 166 >GLU~A 78 105.17 67.59 64.47 103.61 66.88 65.74 104.39 67.24 65.10 2 0 17.26 -999 ? C8 PG5 A 166 >LEU~A 79 108.70 62.51 61.82 107.99 60.89 63.13 108.35 61.70 62.48 3 0 13.91 -999 ? C8 PG5 A 166 >CYH~A 80 110.98 65.61 59.40 109.55 65.19 57.01 110.27 65.40 58.21 2 0 14.30 -999 ? C8 PG5 A 166 >ALA~A 81 111.84 68.46 61.85 110.82 69.41 62.50 111.33 68.93 62.17 2 0 20.01 -999 ? C8 PG5 A 166 >VAL~A 82 113.08 65.95 64.45 112.14 64.61 65.95 112.61 65.28 65.20 3 0 19.98 -999 ? C8 PG5 A 166 >ASN~A 83 114.89 63.63 60.60 114.30 61.62 61.15 114.59 62.62 60.88 2 0 17.52 -999 ? C8 PG5 A 166 >ILE~A 84 115.72 69.20 60.41 115.35 70.24 59.52 115.54 69.72 59.97 3 0 22.27 -999 ? C8 PG5 A 166 >LEU~A 85 116.42 68.67 65.67 115.34 70.51 66.25 115.88 69.59 65.96 3 0 24.82 -999 ? C8 PG5 A 166 >ALA~A 86 119.34 65.25 64.77 118.78 63.83 64.50 119.06 64.54 64.64 2 0 23.49 -999 ? C8 PG5 A 166 >GLN~A 87 120.21 65.37 59.69 121.25 63.51 59.40 120.73 64.44 59.55 2 0 22.62 -999 ? C1 PG5 A 166 >VAL~A 88 122.08 69.70 63.21 121.00 71.64 63.23 121.54 70.67 63.22 3 0 28.31 -999 ? C8 PG5 A 166 >LYS~A 89 123.05 68.16 66.57 122.17 64.35 71.56 122.61 66.25 69.06 2 0 23.89 -999 ? O1 PG5 C 166 >ALA~A 90 125.57 65.96 64.67 125.22 64.91 63.58 125.39 65.43 64.13 2 0 26.88 -999 ? C8 PG5 C 166 >ALA~A 91 126.90 68.96 62.68 126.03 69.86 61.80 126.47 69.41 62.24 2 0 30.44 -999 ? C1 PG5 A 166 >LEU~A 92 126.29 71.80 66.46 125.44 73.49 65.35 125.87 72.65 65.90 3 0 32.07 -999 ? C8 PG5 C 166 >ASN.A 93 130.55 68.64 68.10 131.66 68.90 66.32 131.11 68.77 67.21 2 0 27.62 -999 ? C8 PG5 C 166 >GLY.A 94 126.29 67.44 70.21 126.34 68.17 69.91 126.31 67.80 70.06 1 0 25.74 -999 ? C8 PG5 C 166 >ASP~A 95 126.64 71.88 70.95 126.84 72.64 72.85 126.74 72.26 71.90 2 0 28.86 -999 ? C8 PG5 B 166 >LEU~A 96 120.59 71.58 69.83 119.52 70.14 68.58 120.06 70.86 69.20 3 0 29.95 -999 ? C8 PG5 A 166 >SER~A 97 122.60 75.39 71.68 124.46 74.88 73.20 123.53 75.14 72.44 2 0 31.13 -999 ? C8 PG5 B 166 >LYS~A 98 125.05 76.51 68.94 128.56 74.37 72.06 126.80 75.44 70.50 2 0 30.28 -999 ? C8 PG5 B 166 >ILE~A 99 120.72 76.51 66.58 119.63 75.80 66.00 120.17 76.15 66.29 3 0 31.81 -999 ? C8 PG5 A 166 >ARG.A 100 125.56 82.35 65.91 126.97 83.64 63.46 126.27 82.99 64.68 2 0 40.48 -999 ? C8 PG5 A 166 >ARG^A 101 116.68 82.94 62.75 115.13 84.69 64.75 115.91 83.82 63.75 2 0 32.22 -999 ? C8 PG5 K 166 >VAL^A 102 116.99 78.68 61.69 115.71 76.94 62.09 116.35 77.81 61.89 3 0 29.15 -999 ? C8 PG5 A 166 >ILE^A 103 118.46 80.81 57.65 118.78 82.24 57.82 118.62 81.53 57.73 3 0 31.01 -999 ? C8 PG5 K 166 >LYS^A 104 114.92 78.72 56.21 112.07 79.44 52.22 113.49 79.08 54.21 2 0 22.82 -999 ? C8 PG5 K 166 >LEU^A 105 111.93 75.04 57.03 112.49 74.23 58.95 112.21 74.63 57.99 3 0 23.39 -999 ? C8 PG5 A 166 >ASN^A 106 112.63 74.09 51.35 113.65 75.92 50.91 113.14 75.01 51.13 2 0 23.49 -999 ? C8 PG5 K 166 >GLY^A 107 108.62 72.07 53.16 108.75 72.36 52.38 108.68 72.22 52.77 1 0 18.95 -999 ? C8 PG5 A 166 >PHE^A 108 110.04 69.84 49.39 112.20 71.46 48.83 111.12 70.65 49.11 3 0 18.56 -999 ? C3 PG5 A 166 >VAL^A 109 104.30 68.00 50.82 102.83 68.84 52.26 103.57 68.42 51.54 3 0 13.80 -999 ? C8 PG5 A 166 >ALA^A 110 103.24 65.00 48.59 103.59 63.54 48.78 103.42 64.27 48.68 2 0 9.23 -999 ? C5 PG5 A 166 >SER.A 111 99.85 66.31 47.48 100.54 68.42 48.56 100.19 67.36 48.02 2 0 11.15 -999 ? O4 PG5 K 166 >VAL.A 112 96.88 65.53 45.26 95.31 64.25 46.18 96.09 64.89 45.72 3 0 9.56 -999 ? O3 PG5 L 166 >PRO.A 113 96.53 67.18 41.29 96.19 67.92 43.36 96.36 67.55 42.33 3 0 8.06 -999 ? C6 PG5 K 166 >GLU.A 114 91.00 68.38 43.88 92.19 67.23 42.54 91.60 67.80 43.21 2 0 -6.03 -999 ? C6 PG5 K 166s >PHE.A 115 96.26 68.73 50.32 97.11 69.39 52.90 96.68 69.06 51.61 3 0 9.01 -999 ? C8 PG5 K 166 >VAL.A 116 95.83 73.18 49.18 94.14 73.95 47.94 94.99 73.56 48.56 3 0 4.68 -999 ? C8 PG5 K 166 >GLU~A 117 94.40 73.43 53.72 92.84 72.65 54.92 93.62 73.04 54.32 2 0 8.36 -999 ? C8 PG5 K 166 >GLN~A 118 100.99 71.70 50.22 99.39 72.33 48.97 100.19 72.01 49.60 2 0 9.14 -999 ? C8 PG5 K 166 >HIS~A 119 98.95 77.07 54.69 96.88 76.99 54.33 97.91 77.03 54.51 3 0 11.02 -999 ? C8 PG5 K 166 >LEU~A 120 97.57 73.42 57.60 96.01 74.97 57.87 96.79 74.20 57.74 3 0 12.45 -999 ? C8 PG5 K 166 >VAL~A 121 101.08 70.61 57.07 101.04 68.92 55.66 101.06 69.77 56.36 3 0 14.64 -999 ? C8 PG5 K 166 >ILE~A 122 105.14 73.28 56.31 106.21 72.41 55.94 105.67 72.84 56.12 3 0 17.68 -999 ? C8 PG5 K 166 >ASN~A 123 101.69 74.74 60.81 101.26 76.59 59.79 101.47 75.67 60.30 2 0 16.94 -999 ? C8 PG5 K 166 >GLY~A 124 103.79 70.77 62.12 104.28 71.39 61.88 104.03 71.08 62.00 1 0 18.15 -999 ? C8 PG5 A 166 >ALA~A 125 107.52 71.33 61.64 108.23 71.18 60.27 107.87 71.26 60.96 2 0 19.20 -999 ? C8 PG5 A 166 >SER~A 126 107.50 75.13 62.14 107.19 76.18 59.96 107.34 75.65 61.05 2 0 21.23 -999 ? C8 PG5 K 166 >ASN~A 127 104.22 74.44 65.67 102.73 75.65 64.72 103.48 75.04 65.19 2 0 21.61 -999 ? C8 PG5 K 166 >LEU~A 128 108.12 70.78 66.19 109.57 69.17 66.56 108.85 69.97 66.38 3 0 21.49 -999 ? C8 PG5 A 166 >ILE~A 129 111.52 74.34 64.31 112.82 73.79 64.17 112.17 74.06 64.24 3 0 24.89 -999 ? C8 PG5 A 166 >ALA~A 130 109.93 77.31 67.27 108.76 78.10 66.75 109.35 77.71 67.01 2 0 27.22 -999 ? C8 PG5 K 166 >THR~A 131 108.80 75.55 70.48 107.05 74.41 71.07 107.92 74.98 70.78 2 0 26.93 -999 ? C8 PG5 A 166 >VAL~A 132 112.06 73.73 71.26 112.21 71.91 70.02 112.13 72.82 70.64 3 0 27.41 -999 ? C8 PG5 A 166 >LEU~A 133 114.88 76.65 68.65 116.37 75.32 67.75 115.62 75.99 68.20 3 0 29.88 -999 ? C8 PG5 A 166 >GLY~A 134 112.32 79.65 70.98 112.66 79.44 70.26 112.49 79.55 70.62 1 0 32.47 -999 ? C8 PG5 A 166 >GLU~A 135 113.55 85.42 68.74 111.90 85.80 67.45 112.72 85.61 68.10 2 0 31.92 -999 ? C8 PG5 K 166 >PRO~A 136 117.19 81.61 69.30 115.60 81.77 67.73 116.39 81.69 68.51 3 0 34.55 -999 ? C8 PG5 K 166 >GLY~A 137 113.76 78.82 65.86 113.63 79.57 65.77 113.69 79.19 65.82 1 0 29.99 -999 ? C8 PG5 A 166 >ARG~A 138 109.58 83.47 66.43 107.21 84.83 64.94 108.40 84.15 65.68 2 0 26.87 -999 ? C8 PG5 K 166 >HIS.A 139 111.52 78.54 60.35 109.86 77.42 60.99 110.69 77.98 60.67 3 0 24.69 -999 ? C8 PG5 K 166 >ALA^A 140 111.63 81.90 56.69 112.54 82.55 55.71 112.08 82.23 56.20 2 0 25.20 -999 ? C8 PG5 K 166 >ARG^A 141 107.26 77.12 56.89 104.24 76.98 57.46 105.75 77.05 57.17 2 0 17.52 -999 ? C8 PG5 K 166 >ALA^A 142 108.33 77.77 51.58 109.14 77.66 50.28 108.74 77.71 50.93 2 0 19.24 -999 ? C8 PG5 K 166 >ALA^A 143 105.54 75.16 51.58 104.52 75.35 52.70 105.03 75.26 52.14 2 0 15.15 -999 ? C8 PG5 K 166 >VAL^A 144 104.69 73.49 48.27 106.62 74.12 47.52 105.65 73.80 47.89 3 0 15.05 -999 ? O4 PG5 K 166 >GLY^A 145 102.81 70.53 46.85 103.45 70.81 46.43 103.13 70.67 46.64 1 0 12.33 -999 ? O4 PG5 K 166 >MET?A 146 104.85 67.76 45.25 107.58 69.29 45.48 106.21 68.53 45.36 2 0 15.65 -999 ? C3 PG5 A 166 >ALA^A 147 103.67 64.95 42.89 104.15 64.71 41.51 103.91 64.83 42.20 2 0 11.20 -999 ? C3 PG5 A 166 >SER^A 148 105.44 62.38 45.12 106.10 61.35 42.97 105.77 61.87 44.05 2 0 8.04 -999 ? C3 PG5 A 166 >LEU^A 149 108.32 62.62 48.69 108.20 64.74 49.15 108.26 63.68 48.92 3 0 11.23 -999 ? C3 PG5 A 166 >PRO^A 150 112.88 61.21 47.58 110.95 60.03 47.75 111.92 60.62 47.66 3 0 10.20 -999 ? C1 PG5 A 166 >PHE^A 151 112.37 55.92 50.70 115.08 55.46 50.18 113.73 55.69 50.44 3 0 9.29 -999 ? C1 PG5 A 166 >ASN^A 152 105.69 56.32 49.24 103.63 56.66 48.65 104.66 56.49 48.95 2 0 -3.34 -999 ? C5 PG5 A 166s >ALA^A 153 107.20 60.03 52.15 108.49 60.82 52.39 107.85 60.43 52.27 2 0 10.06 -999 ? C1 PG5 A 166 >SER^A 154 104.22 62.38 52.69 102.51 60.94 53.63 103.37 61.66 53.16 2 0 6.26 -999 ? C8 PG5 A 166 >VAL^A 155 106.59 65.23 53.63 105.74 66.64 55.12 106.17 65.94 54.37 3 0 12.42 -999 ? C8 PG5 A 166 >GLU^A 156 112.40 65.96 51.59 113.20 65.40 49.70 112.80 65.68 50.65 2 0 15.05 -999 ? C1 PG5 A 166 >ILE^A 157 111.28 69.56 56.03 110.32 70.40 56.88 110.80 69.98 56.46 3 0 18.56 -999 ? C8 PG5 A 166 >ASP^A 158 116.07 70.74 52.89 115.61 72.36 51.61 115.84 71.55 52.25 2 0 22.53 -999 ? C1 PG5 A 166 >ALA^A 159 116.90 73.54 56.24 116.84 73.09 57.71 116.87 73.32 56.97 2 0 24.97 -999 ? C8 PG5 A 166 >ILE^A 160 119.58 77.43 55.24 120.15 78.01 54.02 119.86 77.72 54.63 3 0 29.77 -999 ? C1 PG5 A 166 >VAL^A 161 120.64 77.13 59.83 120.10 75.64 61.36 120.37 76.39 60.59 3 0 30.27 -999 ? C8 PG5 A 166 >GLU^A 162 123.87 82.30 61.34 123.31 84.29 61.82 123.59 83.30 61.58 2 0 37.44 -999 ? C8 PG5 K 166 >ILE^A 163 125.87 76.98 63.17 126.07 75.88 62.29 125.97 76.43 62.73 3 0 34.85 -999 ? C8 PG5 A 166 >ASN^B 4 164.28 80.86 104.62 162.38 79.93 105.07 163.33 80.40 104.85 2 0 43.65 -999 ? C8 PG5 B 166 >LEU^B 5 163.22 84.02 100.43 161.64 85.53 100.21 162.43 84.78 100.32 3 0 45.74 -999 ? C8 PG5 B 166 >TYR^B 6 166.76 79.65 96.62 167.56 77.95 94.58 167.16 78.80 95.60 3 0 43.84 -999 ? C8 PG5 B 166 >PHE^B 7 165.76 76.50 100.28 168.53 76.26 99.99 167.14 76.38 100.13 3 0 43.18 -999 ? C8 PG5 B 166 >GLN^B 8 158.42 80.23 100.92 158.02 82.09 101.94 158.22 81.16 101.43 2 0 41.53 -999 ? C8 PG5 B 166 >GLY^B 9 160.11 79.74 96.19 160.32 79.00 96.49 160.21 79.37 96.34 1 0 39.66 -999 ? C8 PG5 B 166 >MET?B 10 161.29 76.38 94.90 165.23 74.83 95.15 163.26 75.60 95.02 2 0 39.78 -999 ? C8 PG5 B 166 >SER^B 11 158.57 74.72 96.96 157.63 73.82 99.01 158.10 74.27 97.99 2 0 34.41 -999 ? C8 PG5 B 166 >ASP^B 12 156.10 78.73 95.71 155.55 79.49 97.62 155.82 79.11 96.67 2 0 36.97 -999 ? C8 PG5 B 166 >VAL^B 13 157.04 76.40 91.99 158.68 77.05 90.62 157.86 76.72 91.31 3 0 35.37 -999 ? C8 PG5 B 166 >ILE^B 14 157.32 71.78 93.72 158.18 70.78 94.25 157.75 71.28 93.99 3 0 31.70 -999 ? C8 PG5 B 166 >GLU^B 15 151.64 73.10 96.12 151.68 73.03 98.22 151.66 73.07 97.17 2 0 29.88 -999 ? C8 PG5 B 166 >GLY^B 16 152.23 75.54 91.35 152.52 74.77 91.27 152.37 75.16 91.31 1 0 30.95 -999 ? C8 PG5 B 166 >ARG^B 17 157.05 72.68 88.09 160.11 73.07 88.12 158.58 72.88 88.11 2 0 34.35 -999 ? C8 PG5 B 166 >LEU^B 18 151.20 69.86 91.61 150.60 67.92 92.28 150.90 68.89 91.95 3 0 24.97 -999 ? C8 PG5 B 166 >LYS^B 19 148.08 72.90 90.12 147.85 76.74 95.06 147.96 74.82 92.59 2 0 30.21 -999 ? C8 PG5 B 166 >GLU^B 20 150.46 75.38 86.11 152.37 75.94 85.35 151.41 75.66 85.73 2 0 31.56 -999 ? C8 PG5 B 166 >LEU^B 21 149.22 68.53 86.38 151.14 67.94 85.53 150.18 68.23 85.96 3 0 24.12 -999 ? C8 PG5 B 166 >GLY^B 22 144.93 70.01 87.77 145.52 69.80 88.24 145.23 69.90 88.01 1 0 22.41 -999 ? C8 PG5 B 166 >PHE^B 23 146.28 66.51 90.37 145.67 64.57 88.49 145.98 65.54 89.43 3 0 19.13 -999 ? C8 PG5 B 166 >THR^B 24 146.00 70.38 94.68 144.13 71.42 94.96 145.06 70.90 94.82 2 0 23.92 -999 ? C8 PG5 B 166 >LEU^B 25 149.12 68.89 98.12 151.12 68.39 97.39 150.12 68.64 97.76 3 0 25.55 -999 ? C8 PG5 B 166 >PRO^B 26 146.04 64.89 99.07 145.82 67.10 99.47 145.93 65.99 99.27 3 0 21.83 -999 ? C8 PG5 B 166 >ALA^B 32 146.66 57.42 113.44 146.98 58.17 114.74 146.82 57.80 114.09 2 0 24.55 -999 ? C1 PG5 B 166 >ALA^B 33 147.76 53.79 113.67 147.34 53.30 112.28 147.55 53.54 112.97 2 0 20.98 -999 ? C1 PG5 B 166 >ASN^B 34 150.37 49.91 114.94 149.47 50.02 116.86 149.92 49.96 115.90 2 0 24.85 -999 ? C1 PG5 B 166 >TYR^B 35 150.15 51.09 109.08 147.56 51.10 108.08 148.86 51.10 108.58 3 0 18.96 -999 ? O1 PG5 B 166 >VAL^B 36 152.50 55.50 109.72 154.19 55.74 111.12 153.35 55.62 110.42 3 0 24.96 -999 ? O1 PG5 B 166 >PRO^B 37 151.56 59.17 107.52 152.33 57.14 107.07 151.95 58.15 107.29 3 0 23.64 -999 ? O1 PG5 B 166 >PHE^B 38 156.20 60.25 106.38 155.68 62.50 107.98 155.94 61.38 107.18 3 0 28.32 -999 ? O1 PG5 B 166 >THR^B 39 159.41 57.05 108.08 159.30 54.92 108.32 159.36 55.99 108.20 2 0 28.52 -999 ? O1 PG5 B 166 >ILE^B 40 163.05 60.14 108.04 163.24 61.52 107.65 163.14 60.83 107.84 3 0 33.97 -999 ? O1 PG5 B 166 >SER^B 41 166.17 56.87 108.09 167.43 54.79 108.35 166.80 55.83 108.22 2 0 35.70 -999 ? O1 PG5 B 166 >GLY^B 42 169.23 59.01 107.50 168.39 59.16 107.36 168.81 59.08 107.43 1 0 38.40 -999 ? O1 PG5 B 166 >ASN^B 43 169.44 61.82 103.65 170.65 60.69 102.36 170.05 61.26 103.00 2 0 39.28 -999 ? O1 PG5 B 166 >LEU^B 44 166.35 57.00 102.81 167.52 56.34 101.03 166.93 56.67 101.92 3 0 34.34 -999 ? O1 PG5 B 166 >LEU^B 45 161.57 60.30 102.88 159.68 61.19 103.44 160.62 60.74 103.16 3 0 30.61 -999 ? O1 PG5 B 166 >TYR^B 46 161.59 53.95 103.50 163.89 52.61 102.71 162.74 53.28 103.11 3 0 29.58 -999 ? O1 PG5 B 166 >VAL^B 47 156.48 56.68 102.03 155.84 58.55 101.04 156.16 57.61 101.53 3 0 24.97 -999 ? O1 PG5 B 166 >SER^B 48 153.74 54.10 102.64 153.43 53.92 104.97 153.58 54.01 103.81 2 0 21.89 -999 ? O1 PG5 B 166 >GLY^B 49 151.68 52.69 99.75 151.52 53.25 100.37 151.60 52.97 100.06 1 0 18.53 -999 ? O1 PG5 B 166 >GLN^B 50 150.79 57.48 99.21 149.99 57.71 101.15 150.39 57.59 100.18 2 0 19.95 -999 ? O1 PG5 B 166 >LEU^B 51 144.76 54.24 98.01 144.86 52.25 98.88 144.81 53.24 98.44 3 0 12.77 -999 ? O1 PG5 B 166 >PRO^B 52 143.59 54.89 93.50 144.31 56.44 94.95 143.95 55.67 94.23 3 0 11.93 -999 ? C8 PG5 B 166 >MET?B 53 142.46 59.30 97.15 141.99 57.17 99.46 142.23 58.23 98.30 2 0 13.90 -999 ? C1 PG5 B 166 >GLU^B 54 140.01 63.64 93.90 139.86 63.62 91.82 139.93 63.63 92.86 2 0 14.61 -999 ? C8 PG5 B 166 >SER^B 55 138.42 64.39 98.41 137.55 65.73 96.68 137.98 65.06 97.55 2 0 17.37 -999 ? C8 PG5 B 166 >GLY^B 56 138.94 61.67 101.00 138.70 61.51 100.28 138.82 61.59 100.64 1 0 16.77 -999 ? C1 PG5 B 166 >LYS^B 57 137.43 58.89 98.79 132.76 58.46 101.61 135.10 58.68 100.20 2 0 13.06 -999 ? C1 PG5 B 166 >ILE^B 58 139.12 54.61 96.90 140.59 54.25 97.06 139.86 54.43 96.98 3 0 10.19 -999 ? C8 PG5 B 166 >ALA^B 59 138.50 57.69 93.26 139.25 58.95 92.87 138.87 58.32 93.07 2 0 10.51 -999 ? C8 PG5 B 166 >VAL^B 60 139.30 54.73 90.93 140.44 55.23 89.10 139.87 54.98 90.02 3 0 7.20 -999 ? C8 PG5 B 166 >THR^B 61 138.36 51.17 91.87 136.72 51.63 93.20 137.54 51.40 92.54 2 0 -4.63 -999 ? C8 PG5 B 166s >GLY^B 62 138.39 47.74 90.29 139.10 48.14 90.35 138.74 47.94 90.32 1 0 4.10 -999 ? C7 PG5 B 166 >LEU^B 63 140.48 44.22 87.80 140.65 42.64 89.31 140.57 43.43 88.55 3 0 7.33 -999 ? O3 PG5 B 166 >VAL^B 64 142.47 47.26 85.10 143.98 48.82 85.04 143.23 48.04 85.07 3 0 10.02 -999 ? C8 PG5 B 166 >GLY^B 65 141.36 45.42 81.98 140.85 45.57 82.58 141.11 45.49 82.28 1 0 8.26 -999 ? O3 PG5 C 166 >ARG^B 66 136.43 41.96 85.93 133.88 40.50 84.93 135.15 41.23 85.43 2 0 -3.50 -999 ? O3 PG5 C 166s >ASP^B 67 136.56 47.46 86.99 135.82 45.64 87.69 136.19 46.55 87.34 2 0 3.68 -999 ? C6 PG5 B 166 >VAL^B 68 138.93 50.32 84.43 139.79 51.42 86.11 139.36 50.87 85.27 3 0 6.43 -999 ? C8 PG5 B 166 >ASP^B 69 140.20 51.68 79.96 139.71 53.75 80.08 139.95 52.71 80.02 2 0 11.25 -999 ? C8 PG5 B 166 >VAL^B 70 144.37 52.37 80.93 146.13 51.79 79.80 145.25 52.08 80.37 3 0 12.75 -999 ? O1 PG5 J 167 >ALA^B 71 143.38 56.04 80.77 142.51 56.70 79.69 142.95 56.37 80.23 2 0 14.16 -999 ? C8 PG5 B 166 >SER^B 72 141.35 55.76 83.99 139.02 55.55 83.43 140.18 55.65 83.71 2 0 9.19 -999 ? C8 PG5 B 166 >ALA^B 73 144.12 53.72 85.67 144.65 52.37 85.23 144.38 53.04 85.45 2 0 11.20 -999 ? C8 PG5 B 166 >GLN^B 74 147.76 55.98 82.44 147.94 56.51 80.41 147.85 56.25 81.42 2 0 16.50 -999 ? O1 PG5 J 167 >ARG^B 75 142.79 61.64 87.18 141.86 64.39 88.28 142.32 63.01 87.73 2 0 15.98 -999 ? C8 PG5 B 166 >ALA^B 76 144.49 56.55 89.51 144.07 55.06 89.55 144.28 55.80 89.53 2 0 10.73 -999 ? C8 PG5 B 166 >ALA^B 77 148.30 56.51 89.31 149.11 55.95 88.17 148.71 56.23 88.74 2 0 15.76 -999 ? C8 PG5 B 166 >GLU^B 78 148.18 61.27 86.80 147.01 62.27 85.36 147.59 61.77 86.08 2 0 17.83 -999 ? C8 PG5 B 166 >LEU^B 79 144.77 60.03 92.44 143.02 61.31 92.02 143.90 60.67 92.23 3 0 14.33 -999 ? C8 PG5 B 166 >CYH^B 80 148.55 57.97 94.07 147.62 55.41 93.56 148.08 56.69 93.81 2 0 14.72 -999 ? C8 PG5 B 166 >ALA^B 81 151.46 60.31 93.10 151.90 60.57 91.66 151.68 60.44 92.38 2 0 20.38 -999 ? C8 PG5 B 166 >VAL^B 82 149.64 63.40 94.45 148.03 64.72 93.71 148.83 64.06 94.08 3 0 20.46 -999 ? C8 PG5 B 166 >ASN^B 83 148.16 60.39 97.97 146.12 60.94 97.99 147.14 60.66 97.98 2 0 17.99 -999 ? C8 PG5 B 166 >ILE^B 84 153.65 59.81 96.78 154.46 58.74 96.27 154.05 59.28 96.52 3 0 22.71 -999 ? C8 PG5 B 166 >LEU^B 85 153.53 65.07 96.10 154.82 65.14 94.29 154.18 65.11 95.19 3 0 25.34 -999 ? C8 PG5 B 166 >ALA^B 86 151.33 65.29 100.13 149.82 65.08 100.12 150.58 65.18 100.13 2 0 23.88 -999 ? C8 PG5 B 166 >GLN^B 87 151.78 60.63 102.42 150.57 60.92 104.15 151.17 60.77 103.29 2 0 23.21 -999 ? O1 PG5 B 166 >VAL^B 88 156.51 64.12 101.42 157.86 63.64 99.76 157.19 63.88 100.59 3 0 28.75 -999 ? C8 PG5 B 166 >LYS^B 89 155.44 67.73 102.04 151.68 72.74 101.07 153.56 70.24 101.56 2 0 30.63 -999 ? C8 PG5 B 166 >ALA^B 90 154.25 66.69 105.52 153.16 65.63 105.81 153.71 66.16 105.67 2 0 28.63 -999 ? C1 PG5 B 166 >ALA^B 91 157.55 64.79 106.17 158.08 63.64 105.28 157.81 64.22 105.73 2 0 30.66 -999 ? O1 PG5 B 166 >LEU^B 92 159.79 68.11 103.60 161.18 66.77 102.58 160.49 67.44 103.09 3 0 34.05 -999 ? C8 PG5 B 166 >ASN^B 93 158.38 70.78 108.36 158.61 69.31 109.87 158.50 70.05 109.12 2 0 36.03 -999 ? C1 PG5 B 166 >GLY^B 94 155.92 72.03 104.22 156.63 71.70 104.12 156.27 71.86 104.17 1 0 33.96 -999 ? C8 PG5 B 166 >ASP^B 95 160.37 72.77 103.06 161.90 73.71 101.86 161.13 73.24 102.46 2 0 38.18 -999 ? C8 PG5 B 166 >LEU^B 96 157.95 70.31 97.99 156.14 69.09 98.00 157.05 69.70 97.99 3 0 31.01 -999 ? C8 PG5 B 166 >SER^B 97 162.37 71.94 97.99 163.20 73.72 99.46 162.79 72.83 98.72 2 0 38.43 -999 ? C8 PG5 B 166 >LYS^B 98 163.93 69.49 100.48 163.32 72.70 104.87 163.63 71.09 102.68 2 0 39.69 -999 ? C8 PG5 B 166 >ILE^B 99 162.27 66.47 96.90 161.18 65.84 96.32 161.73 66.15 96.61 3 0 32.37 -999 ? C8 PG5 B 166 >ARG^B 100 169.32 65.67 99.47 171.99 66.64 98.22 170.66 66.16 98.84 2 0 41.80 -999 ? C2 PG5 J 167 >ARG^B 101 166.70 61.06 91.93 167.62 62.44 89.35 167.16 61.75 90.64 2 0 32.17 -999 ? O1 PG5 J 167 >VAL^B 102 162.91 60.48 94.00 160.79 60.68 93.50 161.85 60.58 93.75 3 0 29.58 -999 ? C8 PG5 B 166 >ILE^B 103 165.48 56.76 95.66 166.95 56.78 95.36 166.22 56.77 95.51 3 0 31.12 -999 ? C2 PG5 J 167 >LYS^B 104 162.16 54.61 93.67 162.33 48.94 93.38 162.25 51.77 93.53 2 0 23.81 -999 ? C2 PG5 J 167 >LEU^B 105 157.65 54.94 92.03 157.13 57.04 92.32 157.39 55.99 92.17 3 0 23.79 -999 ? C8 PG5 B 166 >ASN^B 106 157.00 49.79 94.56 159.06 49.39 94.98 158.03 49.59 94.77 2 0 23.44 -999 ? C2 PG5 J 167 >GLY^B 107 153.67 50.77 91.26 153.96 50.00 91.49 153.81 50.39 91.38 1 0 19.09 -999 ? C2 PG5 J 167 >PHE^B 108 152.11 47.72 94.35 154.37 47.68 95.92 153.24 47.70 95.14 3 0 18.54 -999 ? C3 PG5 B 166 >VAL^B 109 148.27 47.80 89.56 148.53 48.75 87.62 148.40 48.28 88.59 3 0 14.10 -999 ? C8 PG5 B 166 >ALA^B 110 145.14 45.67 90.26 143.89 46.08 91.08 144.51 45.87 90.67 2 0 9.41 -999 ? O3 PG5 B 166 >SER^B 111 144.98 43.66 87.02 147.19 44.62 86.59 146.09 44.14 86.80 2 0 11.16 -999 ? C2 PG5 J 167 >VAL^B 112 143.20 40.88 85.25 141.44 41.46 84.04 142.32 41.17 84.64 3 0 9.30 -999 ? O3 PG5 C 166 >PRO^B 113 144.51 36.81 85.42 145.17 38.62 84.30 144.84 37.72 84.86 3 0 8.36 -999 ? O2 PG5 J 167 >GLU^B 114 143.64 37.75 79.48 142.95 36.93 81.29 143.30 37.34 80.38 2 0 -6.49 -999 ? C4 PG5 J 167s >PHE^B 115 145.92 45.25 82.23 146.91 47.82 81.96 146.42 46.54 82.09 3 0 8.74 -999 ? C2 PG5 J 167 >VAL^B 116 149.89 43.64 80.57 149.99 42.00 79.10 149.94 42.82 79.84 3 0 4.72 -999 ? C2 PG5 J 167 >GLU^B 117 149.50 47.49 77.97 148.50 48.50 76.40 149.00 48.00 77.18 2 0 7.74 -999 ? O1 PG5 J 167 >GLN^B 118 150.47 46.07 85.43 150.37 44.37 84.16 150.42 45.22 84.80 2 0 9.10 -999 ? C2 PG5 J 167 >HIS^B 119 154.67 49.28 80.51 153.86 48.54 78.72 154.26 48.91 79.61 3 0 10.88 -999 ? O1 PG5 J 167 >LEU^B 120 150.82 52.19 79.75 151.58 51.83 77.76 151.20 52.01 78.75 3 0 12.03 -999 ? O1 PG5 J 167 >VAL^B 121 149.47 52.82 84.01 147.95 51.57 84.96 148.71 52.19 84.49 3 0 14.54 -999 ? C2 PG5 J 167 >ILE^B 122 153.35 52.84 86.97 152.92 52.85 88.31 153.13 52.85 87.64 3 0 17.69 -999 ? C2 PG5 J 167 >ASN^B 123 153.53 56.19 82.17 155.06 54.90 81.35 154.29 55.55 81.76 2 0 16.71 -999 ? O1 PG5 J 167 >GLY^B 124 150.59 58.42 85.02 151.36 58.19 85.31 150.97 58.30 85.16 1 0 18.60 -999 ? C8 PG5 B 166 >ALA^B 125 152.55 58.70 88.29 152.73 57.59 89.30 152.64 58.15 88.80 2 0 19.68 -999 ? C8 PG5 B 166 >SER^B 126 156.05 58.89 86.75 156.81 56.58 86.75 156.43 57.74 86.75 2 0 21.24 -999 ? O1 PG5 J 167 >ASN^B 127 154.16 61.52 83.12 154.65 60.03 81.63 154.41 60.78 82.37 2 0 21.16 -999 ? O1 PG5 J 167 >LEU^B 128 152.20 63.29 87.79 151.21 64.22 89.53 151.70 63.76 88.66 3 0 21.91 -999 ? C8 PG5 B 166 >ILE^B 129 156.77 62.11 90.11 156.95 61.27 91.22 156.86 61.69 90.66 3 0 25.17 -999 ? C8 PG5 B 166 >ALA^B 130 158.99 64.17 86.76 159.39 63.31 85.61 159.19 63.74 86.18 2 0 27.07 -999 ? O1 PG5 J 167 >THR^B 131 156.87 67.15 85.49 155.18 67.36 84.17 156.03 67.26 84.83 2 0 27.36 -999 ? C8 PG5 B 166 >VAL^B 132 156.46 68.79 88.89 154.83 67.73 89.95 155.64 68.26 89.42 3 0 27.79 -999 ? C8 PG5 B 166 >LEU^B 133 160.26 66.78 91.06 159.52 66.47 93.14 159.89 66.62 92.10 3 0 30.35 -999 ? C8 PG5 B 166 >GLY^B 134 162.04 68.14 87.03 161.96 67.53 87.55 162.00 67.83 87.29 1 0 32.71 -999 ? O1 PG5 J 167 >GLU^B 135 167.64 65.54 86.20 167.32 64.21 84.54 167.48 64.87 85.37 2 0 31.46 -999 ? O1 PG5 J 167 >PRO^B 136 165.65 67.60 90.85 165.25 65.61 89.85 165.45 66.61 90.35 3 0 34.39 -999 ? O1 PG5 J 167 >GLY^B 137 161.86 63.63 89.94 162.53 63.40 89.57 162.19 63.51 89.75 1 0 30.27 -999 ? O1 PG5 J 167 >ARG^B 138 164.88 62.39 84.46 166.49 60.81 82.35 165.69 61.60 83.40 2 0 27.86 -999 ? O1 PG5 J 167 >HIS^B 139 160.70 57.76 89.56 159.00 58.05 88.36 159.85 57.91 88.96 3 0 24.71 -999 ? O1 PG5 J 167 >ALA^B 140 163.89 53.91 89.44 164.89 53.11 90.27 164.39 53.51 89.85 2 0 25.32 -999 ? C2 PG5 J 167 >ARG^B 141 157.80 53.60 87.21 156.48 53.28 84.46 157.14 53.44 85.84 2 0 17.46 -999 ? O1 PG5 J 167 >ALA^B 142 158.85 48.63 89.40 159.03 47.64 90.51 158.94 48.14 89.96 2 0 19.33 -999 ? C2 PG5 J 167 >ALA^B 143 155.37 48.14 87.83 155.15 48.97 86.57 155.26 48.56 87.20 2 0 15.19 -999 ? C2 PG5 J 167 >VAL^B 144 153.53 44.90 88.55 154.80 44.60 90.30 154.16 44.75 89.43 3 0 15.06 -999 ? C2 PG5 J 167 >GLY^B 145 150.05 43.40 88.31 150.57 43.10 88.90 150.31 43.25 88.61 1 0 12.48 -999 ? C2 PG5 J 167 >MET?B 146 148.23 42.57 91.55 150.95 44.06 92.59 149.59 43.31 92.07 2 0 16.09 -999 ? C3 PG5 B 166 >ALA^B 147 145.18 40.31 92.17 145.13 39.15 93.11 145.15 39.73 92.64 2 0 11.34 -999 ? C3 PG5 B 166 >SER^B 148 143.52 43.17 94.09 142.73 41.46 95.71 143.12 42.31 94.90 2 0 8.07 -999 ? C3 PG5 B 166 >LEU^B 149 144.78 47.26 95.72 146.68 47.40 94.63 145.73 47.33 95.18 3 0 11.17 -999 ? C3 PG5 B 166 >PRO^B 150 145.22 47.49 100.47 143.40 47.31 99.16 144.31 47.40 99.82 3 0 10.02 -999 ? O1 PG5 B 166 >PHE^B 151 140.11 50.85 101.18 140.74 51.11 103.87 140.43 50.98 102.52 3 0 9.43 -999 ? C1 PG5 B 166 >ASN^B 152 137.95 47.70 95.45 137.52 46.71 93.62 137.73 47.20 94.54 2 0 -3.60 -999 ? O3 PG5 B 166s >ALA^B 153 141.90 50.60 94.66 143.09 51.07 95.51 142.50 50.84 95.08 2 0 10.16 -999 ? O1 PG5 B 166 >SER^B 154 142.98 50.17 91.03 140.97 50.73 89.81 141.97 50.45 90.42 2 0 6.53 -999 ? C8 PG5 B 166 >VAL^B 155 146.57 51.31 91.84 147.51 52.44 90.16 147.04 51.88 91.00 3 0 12.77 -999 ? C8 PG5 B 166 >GLU^B 156 149.34 50.80 97.36 149.20 49.19 98.75 149.27 50.00 98.05 2 0 14.92 -999 ? O1 PG5 B 166 >ILE^B 157 152.32 54.44 93.76 152.73 54.94 92.36 152.53 54.69 93.06 3 0 18.95 -999 ? C8 PG5 B 166 >ASP^B 158 155.15 52.49 98.46 156.52 50.97 97.88 155.83 51.73 98.17 2 0 22.38 -999 ? O1 PG5 B 166 >ALA^B 159 158.14 55.57 97.27 157.71 56.97 96.94 157.92 56.27 97.11 2 0 25.34 -999 ? C8 PG5 B 166 >ILE^B 160 162.68 55.06 98.53 163.49 54.03 99.08 163.08 54.55 98.81 3 0 29.72 -999 ? O1 PG5 B 166 >VAL^B 161 162.81 59.75 98.37 161.21 61.20 97.99 162.01 60.47 98.18 3 0 30.66 -999 ? C8 PG5 B 166 >GLU^B 162 168.73 61.67 98.95 170.41 61.61 97.67 169.57 61.64 98.31 2 0 37.54 -999 ? C2 PG5 J 167 >ILE^B 163 164.62 64.30 102.21 163.60 63.56 103.00 164.11 63.93 102.61 3 0 35.08 -999 ? O1 PG5 B 166 >ASP^B 164 167.47 68.74 102.35 168.34 69.05 100.45 167.91 68.89 101.40 2 0 40.28 -999 ? C8 PG5 B 166 >VAL^B 165 168.18 66.40 106.43 167.67 64.34 105.92 167.93 65.37 106.18 3 0 39.70 -999 ? O1 PG5 B 166 >GLU^C 3 84.30 24.52 73.17 83.11 23.97 71.49 83.70 24.24 72.33 2 0 35.49 -999 ? C1 PG5 L 166 >ASN^C 4 88.40 29.21 70.94 90.31 29.61 70.04 89.35 29.41 70.49 2 0 28.84 -999 ? C1 PG5 L 166 >LEU^C 5 85.82 31.50 75.15 85.01 33.45 75.62 85.41 32.47 75.39 3 0 32.33 -999 ? C1 PG5 L 166 >TYR^C 6 88.47 26.67 79.10 89.57 25.59 81.43 89.02 26.13 80.26 3 0 39.02 -999 ? C1 PG5 L 166 >PHE^C 7 92.35 26.58 75.46 92.15 23.81 75.82 92.25 25.19 75.64 3 0 35.72 -999 ? C1 PG5 L 166 >GLN^C 8 91.11 34.80 74.84 89.42 36.04 74.26 90.26 35.42 74.55 2 0 28.71 -999 ? C1 PG5 L 166 >GLY^C 9 90.66 32.82 79.51 91.32 32.44 79.23 90.99 32.63 79.37 1 0 34.62 -999 ? C1 PG5 L 166 >MET?C 10 93.39 30.54 80.87 93.63 26.25 80.78 93.51 28.39 80.82 2 0 38.98 -999 ? C1 PG5 L 166 >SER^C 11 95.97 32.68 79.04 96.36 31.62 76.95 96.16 32.15 77.99 2 0 32.83 -999 ? C1 PG5 L 166 >ASP^C 12 93.05 36.32 80.39 92.39 37.07 78.52 92.72 36.70 79.45 2 0 31.75 -999 ? C1 PG5 L 166 >VAL^C 13 94.89 34.44 83.88 93.70 33.09 85.14 94.29 33.76 84.51 3 0 36.44 -999 ? C2 PG5 C 166 >ILE^C 14 99.05 32.41 82.25 99.68 31.26 81.75 99.37 31.84 82.00 3 0 32.49 -999 ? C2 PG5 C 166 >GLU^C 15 100.28 37.67 79.72 99.78 38.09 77.71 100.03 37.88 78.72 2 0 29.67 -999 ? C8 PG5 A 166 >GLY^C 16 97.55 38.58 84.68 98.13 38.00 84.76 97.84 38.29 84.72 1 0 32.06 -999 ? C2 PG5 C 166 >ARG^C 17 98.34 32.92 87.80 96.79 30.26 87.57 97.56 31.59 87.69 2 0 35.52 -999 ? C2 PG5 C 166 >LEU^C 18 103.09 37.48 84.34 105.13 37.32 83.64 104.11 37.40 83.99 3 0 25.99 -999 ? C2 PG5 C 166 >LYS^C 19 101.47 41.41 85.91 97.95 42.92 80.99 99.71 42.17 83.45 2 0 30.18 -999 ? C8 PG5 A 166 >GLU^C 20 98.29 40.06 89.90 97.00 38.45 90.38 97.64 39.25 90.14 2 0 32.94 -999 ? C1 PG5 C 166 >LEU^C 21 105.01 38.62 89.52 104.85 36.69 90.52 104.93 37.65 90.02 3 0 25.53 -999 ? C1 PG5 C 166 >GLY^C 22 105.30 43.20 88.30 105.29 42.57 87.80 105.29 42.88 88.05 1 0 23.82 -999 ? C1 PG5 C 166 >PHE^C 23 108.07 40.61 85.71 110.12 40.40 87.56 109.10 40.51 86.63 3 0 20.47 -999 ? C2 PG5 C 166 >THR^C 24 104.67 42.52 81.36 104.49 44.67 81.10 104.58 43.59 81.23 2 0 24.71 -999 ? C2 PG5 C 166 >LEU^C 25 104.79 39.16 77.79 104.49 37.08 78.39 104.64 38.12 78.09 3 0 26.09 -999 ? C2 PG5 C 166 >PRO^C 26 109.70 40.43 76.70 107.73 41.48 76.49 108.71 40.95 76.59 3 0 22.13 -999 ? C2 PG5 C 166 >VAL^C 27 107.35 41.47 72.19 106.28 42.47 70.56 106.81 41.97 71.37 3 0 23.33 -999 ? C8 PG5 A 166 >ALA^C 33 119.17 34.79 62.33 119.69 34.89 63.80 119.43 34.84 63.07 2 0 21.79 -999 ? O4 PG5 C 166 >ASN^C 34 121.86 30.99 60.85 122.11 31.73 58.87 121.99 31.36 59.86 2 0 25.59 -999 ? O4 PG5 C 166 >TYR^C 35 120.79 31.49 66.63 121.73 33.92 67.64 121.26 32.70 67.14 3 0 19.65 -999 ? O4 PG5 C 166 >VAL^C 36 115.86 30.89 66.03 115.04 29.44 64.59 115.45 30.17 65.31 3 0 25.71 -999 ? O4 PG5 C 166 >PRO^C 37 112.85 33.22 68.25 114.42 31.68 68.69 113.64 32.45 68.47 3 0 24.40 -999 ? O4 PG5 C 166 >PHE^C 38 110.07 29.11 69.35 108.20 30.32 67.72 109.13 29.72 68.54 3 0 29.21 -999 ? O4 PG5 C 166 >THR^C 39 111.84 25.05 67.64 113.85 24.31 67.32 112.85 24.68 67.48 2 0 29.21 -999 ? O4 PG5 C 166 >ILE^C 40 107.63 22.93 67.74 106.31 23.34 68.11 106.97 23.14 67.92 3 0 34.32 -999 ? C1 PG5 L 166 >SER^C 41 109.52 18.76 67.68 110.98 16.86 67.33 110.25 17.81 67.51 2 0 36.14 -999 ? O4 PG5 C 166 >GLY^C 42 106.37 16.72 68.25 106.54 17.53 68.38 106.46 17.13 68.31 1 0 38.93 -999 ? O4 PG5 C 166 >ASN^C 43 103.75 17.49 72.14 104.48 15.98 73.42 104.12 16.73 72.78 2 0 39.57 -999 ? C2 PG5 C 166 >LEU^C 44 109.35 18.56 72.91 109.46 17.14 74.65 109.40 17.85 73.78 3 0 34.87 -999 ? O4 PG5 C 166 >LEU^C 45 108.03 24.23 72.87 107.89 26.31 72.27 107.96 25.27 72.57 3 0 31.22 -999 ? C2 PG5 C 166 >TYR^C 46 114.00 21.90 72.26 114.47 19.26 73.00 114.24 20.58 72.63 3 0 29.93 -999 ? O4 PG5 C 166 >VAL^C 47 113.28 27.65 73.68 111.83 28.92 74.76 112.56 28.29 74.22 3 0 25.59 -999 ? O4 PG5 C 166 >SER^C 48 116.72 29.23 73.11 117.04 29.44 70.73 116.88 29.33 71.92 2 0 22.51 -999 ? O4 PG5 C 166 >GLY^C 49 118.79 30.64 75.96 118.33 30.97 75.35 118.56 30.81 75.65 1 0 19.05 -999 ? O4 PG5 C 166 >GLN^C 50 114.68 33.23 76.57 114.76 34.04 74.63 114.72 33.63 75.60 2 0 20.51 -999 ? C2 PG5 C 166 >LEU^C 51 119.91 37.58 77.81 121.71 36.73 76.87 120.81 37.15 77.34 3 0 13.43 -999 ? C2 PG5 C 166 >PRO^C 52 119.83 38.98 82.21 118.07 38.82 80.82 118.95 38.90 81.51 3 0 12.11 -999 ? C2 PG5 C 166 >MET?C 53 116.15 41.61 78.69 118.17 41.44 76.23 117.16 41.53 77.46 2 0 14.10 -999 ? C2 PG5 C 166 >GLU^C 54 112.96 45.42 81.96 113.02 45.66 84.05 112.99 45.54 83.01 2 0 15.94 -999 ? O1 PG5 C 166 >SER^C 55 112.96 47.35 77.63 112.14 48.64 79.52 112.55 47.99 78.58 2 0 17.94 -999 ? C2 PG5 C 166 >GLY^C 56 115.25 46.04 74.94 115.47 46.18 75.67 115.36 46.11 75.30 1 0 16.79 -999 ? C2 PG5 C 166 >LYS^C 57 118.35 46.13 77.21 118.28 50.94 75.51 118.31 48.54 76.36 2 0 15.21 -999 ? C2 PG5 C 166 >ILE^C 58 121.66 42.94 78.97 121.46 41.46 78.80 121.56 42.20 78.89 3 0 9.74 -999 ? C2 PG5 C 166 >ALA^C 59 119.05 44.57 82.65 117.61 44.20 83.10 118.33 44.38 82.88 2 0 11.47 -999 ? C2 PG5 C 166 >VAL^C 60 121.55 42.73 84.86 120.66 41.84 86.68 121.10 42.28 85.77 3 0 8.40 -999 ? C2 PG5 C 166 >THR^C 61 125.22 42.36 83.92 125.30 44.13 82.64 125.26 43.24 83.28 2 0 -4.23 -999 ? C2 PG5 C 166s >GLY^C 62 128.44 41.07 85.45 127.79 40.56 85.41 128.11 40.81 85.43 1 0 -3.32 -999 ? C3 PG5 C 166s >LEU^C 63 130.92 37.81 87.93 132.25 37.07 86.46 131.59 37.44 87.19 3 0 7.08 -999 ? C3 PG5 C 166 >VAL^C 64 127.39 37.05 90.66 125.38 36.16 90.70 126.39 36.60 90.68 3 0 9.90 -999 ? C3 PG5 C 166 >GLY^C 65 129.58 37.30 93.74 129.59 37.87 93.16 129.59 37.59 93.45 1 0 8.34 -999 ? C4 PG5 B 166 >ARG^C 66 134.59 40.64 89.78 136.84 42.48 90.82 135.72 41.56 90.30 2 0 -3.49 -999 ? C4 PG5 B 166s >ASP^C 67 129.37 42.54 88.74 131.33 42.57 88.06 130.35 42.56 88.40 2 0 -3.52 -999 ? C3 PG5 C 166s >VAL^C 68 125.93 41.46 91.44 125.18 41.03 89.44 125.55 41.25 90.44 3 0 6.68 -999 ? C1 PG5 C 166 >ASP^C 69 124.12 40.84 95.82 122.35 42.03 95.65 123.23 41.43 95.74 2 0 11.63 -999 ? C1 PG5 C 166 >VAL^C 70 121.95 37.12 94.90 121.82 35.21 95.97 121.88 36.16 95.43 3 0 13.22 -999 ? C1 PG5 F 166 >ALA^C 71 118.88 39.41 95.01 118.64 40.49 96.06 118.76 39.95 95.53 2 0 14.80 -999 ? C1 PG5 C 166 >SER^C 72 119.87 41.23 91.82 120.96 43.30 92.45 120.41 42.26 92.13 2 0 10.07 -999 ? C1 PG5 C 166 >ALA^C 73 120.73 37.90 90.09 121.84 36.95 90.52 121.29 37.43 90.31 2 0 11.87 -999 ? C1 PG5 C 166 >GLN^C 74 117.34 35.30 93.30 116.85 35.29 95.35 117.10 35.29 94.32 2 0 16.93 -999 ? C1 PG5 F 166 >ARG^C 75 113.89 41.58 88.36 112.57 43.33 90.52 113.23 42.46 89.44 2 0 16.95 -999 ? C1 PG5 C 166 >ALA^C 76 117.93 38.62 86.31 119.50 38.48 86.24 118.72 38.55 86.27 2 0 11.60 -999 ? C2 PG5 C 166 >ALA^C 77 116.59 35.05 86.45 116.78 34.10 87.64 116.68 34.57 87.05 2 0 16.63 -999 ? C2 PG5 C 166 >GLU^C 78 112.24 36.79 89.01 111.80 38.28 90.49 112.02 37.54 89.75 2 0 19.04 -999 ? C1 PG5 C 166 >LEU^C 79 114.57 39.65 83.43 114.07 41.69 83.84 114.32 40.67 83.64 3 0 15.29 -999 ? C2 PG5 C 166 >CYH^C 80 115.11 35.42 81.71 117.84 35.32 82.24 116.47 35.37 81.98 2 0 14.93 -999 ? C2 PG5 C 166 >ALA^C 81 111.90 33.55 82.69 111.49 33.25 84.14 111.69 33.40 83.42 2 0 21.06 -999 ? C2 PG5 C 166 >VAL^C 82 109.65 36.37 81.38 109.00 38.33 82.18 109.32 37.35 81.78 3 0 21.26 -999 ? C2 PG5 C 166 >ASN^C 83 113.00 36.69 77.84 113.19 38.81 77.85 113.09 37.75 77.85 2 0 18.23 -999 ? C2 PG5 C 166 >ILE^C 84 111.46 31.40 79.01 112.12 30.19 79.46 111.79 30.80 79.23 3 0 22.92 -999 ? C2 PG5 C 166 >LEU^C 85 106.67 33.56 79.74 106.12 32.41 81.55 106.40 32.98 80.64 3 0 25.86 -999 ? C2 PG5 C 166 >ALA^C 86 107.28 35.58 75.64 108.08 36.88 75.60 107.68 36.23 75.62 2 0 24.13 -999 ? C2 PG5 C 166 >GLN^C 87 111.35 33.47 73.38 111.56 34.77 71.72 111.45 34.12 72.55 2 0 23.93 -999 ? C2 PG5 C 166 >VAL^C 88 106.48 30.32 74.34 106.46 28.87 76.00 106.47 29.60 75.17 3 0 28.84 -999 ? C2 PG5 C 166 >LYS^C 89 103.49 32.70 73.82 100.19 37.99 74.98 101.84 35.34 74.40 2 0 27.55 -999 ? C8 PG5 A 166 >ALA^C 90 104.75 33.49 70.29 106.06 34.20 69.94 105.40 33.85 70.11 2 0 27.32 -999 ? O4 PG5 A 166 >ALA^C 91 105.33 29.72 69.61 106.26 28.81 70.45 105.79 29.26 70.03 2 0 31.26 -999 ? C2 PG5 C 166 >LEU^C 92 101.49 28.71 72.30 102.25 26.94 73.31 101.87 27.83 72.80 3 0 32.59 -999 ? C1 PG5 L 166 >ASN^C 93 99.33 30.95 67.64 100.60 29.94 66.22 99.97 30.45 66.93 2 0 26.32 -999 ? C1 PG5 L 166 >GLY^C 94 99.27 33.77 71.72 99.30 33.01 71.86 99.29 33.39 71.79 1 0 27.63 -999 ? C1 PG5 L 166 >ASP^C 95 97.03 30.08 73.63 95.12 30.97 73.51 96.08 30.52 73.57 2 0 30.32 -999 ? C1 PG5 L 166 >LEU^C 96 100.61 31.30 78.31 102.43 32.51 78.26 101.52 31.90 78.28 3 0 31.05 -999 ? C2 PG5 C 166 >SER^C 97 97.26 27.83 78.06 95.52 29.44 77.86 96.39 28.64 77.96 2 0 34.75 -999 ? C1 PG5 L 166 >LYS^C 98 98.59 25.42 75.50 96.74 25.47 69.60 97.67 25.45 72.55 2 0 31.28 -999 ? C1 PG5 L 166 >ILE^C 99 102.21 25.76 78.91 103.39 26.50 79.49 102.80 26.13 79.20 3 0 32.70 -999 ? C2 PG5 C 166 >ARG^C 100 100.19 18.61 76.51 97.55 17.08 77.17 98.87 17.85 76.84 2 0 42.61 -999 ? C1 PG5 L 166 >ARG^C 101 105.76 18.46 83.52 103.88 16.13 82.69 104.82 17.29 83.11 2 0 35.05 -999 ? O1 PG5 F 166 >VAL^C 102 107.47 23.03 81.72 108.06 25.05 82.23 107.76 24.04 81.98 3 0 29.93 -999 ? C2 PG5 C 166 >ILE^C 103 109.86 19.27 80.06 109.31 17.91 80.36 109.58 18.59 80.21 3 0 31.22 -999 ? O1 PG5 F 166 >LYS^C 104 113.19 21.44 82.00 118.31 19.39 82.09 115.75 20.42 82.05 2 0 23.99 -999 ? O1 PG5 F 166 >LEU^C 105 114.53 25.80 83.57 112.77 27.07 83.41 113.65 26.44 83.49 3 0 24.03 -999 ? C3 PG5 C 166 >ASN^C 106 119.59 24.56 81.19 119.10 22.53 80.74 119.34 23.54 80.96 2 0 23.57 -999 ? O1 PG5 F 166 >GLY^C 107 119.92 28.00 84.40 120.50 27.44 84.20 120.21 27.72 84.30 1 0 18.91 -999 ? C3 PG5 C 166 >PHE^C 108 123.33 28.30 81.38 122.57 26.14 79.80 122.95 27.22 80.59 3 0 18.64 -999 ? C7 PG5 C 166 >VAL^C 109 124.68 31.94 86.16 123.70 32.05 88.15 124.19 32.00 87.16 3 0 13.48 -999 ? C3 PG5 C 166 >ALA^C 110 127.81 34.01 85.43 127.88 35.33 84.58 127.84 34.67 85.00 2 0 8.96 -999 ? C3 PG5 C 166 >SER^C 111 129.77 33.37 88.66 128.00 31.66 89.05 128.88 32.51 88.86 2 0 11.61 -999 ? O1 PG5 F 166 >VAL^C 112 133.06 33.92 90.41 133.12 35.75 91.64 133.09 34.84 91.03 3 0 9.45 -999 ? C4 PG5 B 166 >PRO^C 113 136.30 31.08 90.18 134.40 31.22 91.32 135.35 31.15 90.75 3 0 8.13 -999 ? O2 PG5 F 166 >GLU^C 114 135.75 32.38 96.17 136.79 32.71 94.34 136.27 32.55 95.25 2 0 6.22 -999 ? O2 PG5 F 166 >PHE^C 115 127.90 33.01 93.47 125.16 33.10 93.78 126.53 33.06 93.62 3 0 9.19 -999 ? O1 PG5 F 166 >VAL^C 116 128.02 28.77 95.15 129.49 28.01 96.62 128.76 28.39 95.89 3 0 4.86 -999 ? O1 PG5 F 166 >GLU^C 117 124.50 30.54 97.73 124.10 32.05 99.26 124.30 31.29 98.49 2 0 8.23 -999 ? C1 PG5 F 166 >GLN^C 118 125.49 29.18 90.24 127.08 28.65 91.54 126.29 28.92 90.89 2 0 9.36 -999 ? O1 PG5 F 166 >HIS^C 119 121.00 26.43 95.19 122.02 26.91 96.95 121.51 26.67 96.07 3 0 11.19 -999 ? O1 PG5 F 166 >LEU^C 120 119.83 31.10 95.96 119.73 30.23 97.99 119.78 30.66 96.98 3 0 12.52 -999 ? C1 PG5 F 166 >VAL^C 121 119.62 32.58 91.72 121.33 33.57 90.75 120.47 33.07 91.23 3 0 14.87 -999 ? O1 PG5 F 166 >ILE^C 122 118.16 28.92 88.80 118.32 29.28 87.41 118.24 29.10 88.11 3 0 17.87 -999 ? O1 PG5 F 166 >ASN^C 123 115.04 30.04 93.61 115.61 28.11 94.45 115.33 29.07 94.03 2 0 17.14 -999 ? O1 PG5 F 166 >GLY^C 124 114.04 33.58 90.77 113.93 32.80 90.47 113.99 33.19 90.62 1 0 19.62 -999 ? C1 PG5 C 166 >ALA^C 125 112.96 31.93 87.48 113.95 31.37 86.43 113.45 31.65 86.95 2 0 20.36 -999 ? C2 PG5 C 166 >SER^C 126 111.57 28.69 88.94 113.41 27.06 89.02 112.49 27.88 88.98 2 0 21.38 -999 ? O1 PG5 F 166 >ASN^C 127 109.86 31.42 92.65 110.91 30.34 94.16 110.38 30.88 93.41 2 0 21.75 -999 ? C1 PG5 F 166 >LEU^C 128 108.84 33.97 88.00 108.40 35.19 86.22 108.62 34.58 87.11 3 0 22.99 -999 ? C2 PG5 C 166 >ILE^C 129 108.29 29.27 85.62 108.95 28.83 84.48 108.62 29.05 85.05 3 0 25.86 -999 ? C2 PG5 C 166 >ALA^C 130 105.51 27.95 88.98 106.17 27.26 90.14 105.84 27.60 89.56 2 0 27.49 -999 ? O1 PG5 F 166 >THR^C 131 103.56 31.01 90.28 104.04 32.61 91.70 103.80 31.81 90.99 2 0 28.55 -999 ? C1 PG5 C 166 >VAL^C 132 102.11 32.12 86.92 103.58 33.37 85.82 102.85 32.74 86.37 3 0 28.90 -999 ? C2 PG5 C 166 >LEU^C 133 102.53 27.88 84.71 103.13 28.38 82.66 102.83 28.13 83.69 3 0 31.12 -999 ? C2 PG5 C 166 >GLY^C 134 100.71 26.63 88.73 101.26 26.49 88.17 100.98 26.56 88.45 1 0 33.14 -999 ? O1 PG5 F 166 >GLU^C 135 100.82 20.31 88.86 102.58 19.77 89.94 101.70 20.04 89.40 2 0 32.16 -999 ? O1 PG5 F 166 >PRO^C 136 99.80 23.00 84.72 101.80 22.74 85.72 100.80 22.87 85.22 3 0 34.78 -999 ? O1 PG5 F 166 >GLY^C 137 104.98 25.14 85.74 104.92 24.44 86.10 104.95 24.79 85.92 1 0 30.51 -999 ? O1 PG5 F 166 >ARG^C 138 104.94 22.31 91.28 106.37 21.01 93.67 105.66 21.66 92.47 2 0 27.34 -999 ? O1 PG5 F 166 >HIS^C 139 110.81 24.00 86.17 111.15 25.68 87.38 110.98 24.84 86.78 3 0 24.85 -999 ? O1 PG5 F 166 >ALA^C 140 113.19 19.66 86.26 113.53 18.48 85.42 113.36 19.07 85.84 2 0 25.32 -999 ? O1 PG5 F 166 >ARG^C 141 115.76 25.10 88.47 116.50 26.22 91.23 116.13 25.66 89.85 2 0 17.72 -999 ? O1 PG5 F 166 >ALA^C 142 119.98 22.33 86.25 120.86 21.80 85.14 120.42 22.07 85.70 2 0 19.40 -999 ? O1 PG5 F 166 >ALA^C 143 121.68 25.37 87.88 121.01 25.83 89.21 121.35 25.60 88.54 2 0 15.30 -999 ? O1 PG5 F 166 >VAL^C 144 125.35 25.91 87.05 125.13 24.55 85.34 125.24 25.23 86.20 3 0 15.31 -999 ? O1 PG5 F 166 >GLY^C 145 128.07 28.55 87.32 128.14 27.97 86.72 128.10 28.26 87.02 1 0 12.81 -999 ? O1 PG5 F 166 >MET?C 146 129.49 29.99 84.09 128.15 27.98 81.80 128.82 28.99 82.94 2 0 15.66 -999 ? C7 PG5 C 166 >ALA^C 147 132.74 31.94 83.51 133.93 31.53 82.60 133.33 31.74 83.05 2 0 11.39 -999 ? C7 PG5 C 166 >SER^C 148 130.71 34.55 81.60 132.61 34.67 80.07 131.66 34.61 80.83 2 0 8.06 -999 ? C7 PG5 C 166 >LEU^C 149 126.43 34.94 79.99 125.60 33.25 81.03 126.02 34.09 80.51 3 0 11.30 -999 ? C7 PG5 C 166 >PRO^C 150 126.05 34.65 75.18 126.90 36.26 76.53 126.47 35.46 75.86 3 0 10.48 -999 ? O4 PG5 C 166 >PHE^C 151 124.83 40.68 74.58 124.38 40.32 71.85 124.60 40.50 73.21 3 0 10.45 -999 ? O4 PG5 C 166 >ASN^C 152 128.50 41.47 80.37 129.67 41.49 82.16 129.09 41.48 81.26 2 0 -3.73 -999 ? C4 PG5 C 166s >ALA^C 153 124.43 38.85 81.08 123.49 38.01 80.22 123.96 38.43 80.65 2 0 9.89 -999 ? C2 PG5 C 166 >SER^C 154 124.42 37.64 84.71 124.68 39.71 85.99 124.55 38.68 85.35 2 0 6.85 -999 ? C3 PG5 C 166 >VAL^C 155 122.02 34.80 83.90 120.62 34.34 85.60 121.32 34.57 84.75 3 0 12.80 -999 ? C3 PG5 C 166 >GLU^C 156 121.47 32.11 78.37 122.99 31.62 76.93 122.23 31.87 77.65 2 0 15.29 -999 ? O4 PG5 C 166 >ILE^C 157 116.96 30.62 81.97 116.37 30.45 83.36 116.67 30.54 82.66 3 0 19.08 -999 ? C2 PG5 C 166 >ASP^C 158 117.73 27.19 77.20 118.62 25.39 77.89 118.17 26.29 77.54 2 0 22.76 -999 ? O4 PG5 C 166 >ALA^C 159 113.76 25.66 78.42 112.57 26.57 78.83 113.17 26.12 78.62 2 0 25.32 -999 ? C2 PG5 C 166 >ILE^C 160 112.60 21.17 77.22 113.29 19.99 76.55 112.95 20.58 76.89 3 0 30.11 -999 ? C3 PG5 C 166 >VAL^C 161 108.17 22.86 77.36 107.45 24.89 77.68 107.81 23.87 77.52 3 0 30.72 -999 ? C2 PG5 C 166 >GLU^C 162 104.29 18.00 76.69 103.57 16.50 77.96 103.93 17.25 77.32 2 0 37.66 -999 ? O1 PG5 F 166 >ILE^C 163 103.28 22.88 73.55 104.28 23.48 72.73 103.78 23.18 73.14 3 0 35.23 -999 ? C2 PG5 C 166 >ASP^C 164 98.06 21.78 73.54 97.43 21.08 75.40 97.75 21.43 74.47 2 0 38.46 -999 ? C1 PG5 L 166 >GLU^D 3 193.05 50.11 93.53 192.53 52.05 94.27 192.79 51.08 93.90 2 0 48.40 -999 ? O4 PG5 J 167 >ASN^D 4 193.00 51.19 87.56 191.70 51.56 85.89 192.35 51.37 86.73 2 0 44.94 -999 ? O4 PG5 J 167 >LEU^D 5 195.32 46.52 86.53 196.13 45.47 84.84 195.72 45.99 85.68 3 0 46.68 -999 ? O4 PG5 J 167 >TYR^D 6 192.55 44.08 92.18 191.44 42.24 93.93 191.99 43.16 93.06 3 0 44.73 -999 ? O4 PG5 J 167 >PHE^D 7 188.41 47.62 91.28 187.99 47.94 94.03 188.20 47.78 92.65 3 0 42.55 -999 ? O4 PG5 J 167 >GLN^D 8 190.02 45.75 83.27 191.63 46.40 81.99 190.83 46.08 82.63 2 0 42.30 -999 ? O4 PG5 J 167 >GLY^D 9 190.47 41.97 86.45 189.79 42.36 86.72 190.13 42.17 86.58 1 0 40.93 -999 ? O4 PG5 J 167 >MET?D 10 187.72 41.31 88.97 187.71 42.35 93.09 187.71 41.83 91.03 2 0 40.76 -999 ? O4 PG5 J 167 >SER^D 11 185.13 42.57 86.46 184.82 44.90 86.85 184.98 43.74 86.65 2 0 36.60 -999 ? O4 PG5 J 167 >ASP^D 12 188.06 40.20 83.32 188.70 41.78 82.02 188.38 40.99 82.67 2 0 38.27 -999 ? O4 PG5 J 167 >VAL^D 13 186.19 37.28 86.09 187.34 36.51 87.80 186.77 36.89 86.95 3 0 36.76 -999 ? O4 PG5 J 167 >ILE^D 14 182.06 39.49 87.57 181.53 40.31 88.59 181.79 39.90 88.08 3 0 32.96 -999 ? O4 PG5 J 167 >GLU^D 15 181.38 41.06 82.75 181.30 42.46 81.14 181.34 41.76 81.95 2 0 31.26 -999 ? O4 PG5 J 167 >GLY^D 16 183.58 35.49 82.35 182.97 35.57 82.92 183.28 35.53 82.64 1 0 32.41 -999 ? O4 PG5 J 167 >ARG^D 17 182.77 33.91 88.56 184.33 34.87 91.04 183.55 34.39 89.80 2 0 35.83 -999 ? O4 PG5 J 167 >LEU^D 18 178.01 36.14 83.28 175.95 36.89 83.36 176.98 36.51 83.32 3 0 26.36 -999 ? O4 PG5 J 167 >LYS^D 19 179.62 33.61 79.93 183.32 37.67 76.93 181.47 35.64 78.43 2 0 31.75 -999 ? O4 PG5 J 167 >GLU^D 20 182.79 30.07 82.17 184.11 29.73 83.78 183.45 29.90 82.98 2 0 33.24 -999 ? C8 PG5 J 167 >LEU^D 21 176.10 30.87 83.57 176.20 30.35 85.66 176.15 30.61 84.62 3 0 25.79 -999 ? C8 PG5 J 167 >GLY^D 22 175.75 30.74 78.88 175.80 31.40 79.33 175.77 31.07 79.10 1 0 24.10 -999 ? C8 PG5 J 167 >PHE^D 23 173.01 33.99 80.55 170.91 32.31 81.25 171.96 33.15 80.90 3 0 20.67 -999 ? O4 PG5 J 167 >THR^D 24 176.43 37.62 77.51 177.44 37.97 75.61 176.94 37.80 76.56 2 0 25.98 -999 ? O4 PG5 J 167 >LEU^D 25 176.36 41.93 79.91 176.64 41.97 82.07 176.50 41.95 80.99 3 0 26.59 -999 ? O4 PG5 J 167 >PRO^D 26 171.41 42.56 78.40 173.43 42.56 77.40 172.42 42.56 77.90 3 0 22.63 -999 ? O4 PG5 J 167 >VAL^D 27 173.78 46.74 76.36 173.00 48.22 74.95 173.39 47.48 75.66 3 0 25.79 -999 ? O4 PG5 J 167 >ALA^D 33 161.89 58.23 80.05 161.28 56.82 80.31 161.58 57.52 80.18 2 0 21.13 -999 ? O1 PG5 J 167 >ASN^D 34 159.14 60.55 83.35 158.94 62.25 82.07 159.04 61.40 82.71 2 0 24.82 -999 ? O1 PG5 J 167 >TYR^D 35 160.30 54.78 84.36 159.29 53.17 82.35 159.79 53.97 83.35 3 0 19.18 -999 ? O1 PG5 J 167 >VAL^D 36 165.25 55.59 84.76 166.13 57.36 85.80 165.69 56.47 85.28 3 0 25.37 -999 ? O1 PG5 J 167 >PRO^D 37 168.26 52.93 83.14 166.68 52.81 84.69 167.47 52.87 83.92 3 0 24.15 -999 ? O1 PG5 J 167 >PHE^D 38 171.01 52.75 87.18 172.86 53.79 85.39 171.93 53.27 86.28 3 0 28.81 -999 ? O1 PG5 J 167 >THR^D 39 169.26 55.57 90.76 167.23 56.05 91.32 168.25 55.81 91.04 2 0 28.98 -999 ? C2 PG5 J 167 >ILE^D 40 173.47 56.14 92.89 174.76 55.66 92.58 174.11 55.90 92.74 3 0 34.50 -999 ? C2 PG5 J 167 >SER^D 41 171.59 57.28 96.86 170.12 58.07 98.64 170.86 57.67 97.75 2 0 36.04 -999 ? C2 PG5 J 167 >GLY^D 42 174.79 57.23 98.93 174.59 56.88 98.19 174.69 57.06 98.56 1 0 38.85 -999 ? C2 PG5 J 167 >ASN^D 43 177.42 53.25 99.22 176.77 52.38 101.04 177.10 52.82 100.13 2 0 39.71 -999 ? C2 PG5 J 167 >LEU^D 44 171.82 52.13 98.42 171.72 50.86 100.24 171.77 51.49 99.33 3 0 34.82 -999 ? C2 PG5 J 167 >LEU^D 45 173.07 50.78 92.95 173.22 50.73 90.74 173.15 50.75 91.85 3 0 31.25 -999 ? C2 PG5 J 167 >TYR^D 46 167.09 52.02 95.03 166.64 51.97 97.76 166.86 52.00 96.40 3 0 29.85 -999 ? C2 PG5 J 167 >VAL^D 47 167.80 49.10 89.92 169.22 47.72 88.99 168.51 48.41 89.46 3 0 25.57 -999 ? C2 PG5 J 167 >SER^D 48 164.44 49.27 88.21 164.07 51.49 87.40 164.25 50.38 87.81 2 0 22.44 -999 ? C2 PG5 J 167 >GLY^D 49 162.35 46.15 87.63 162.78 46.64 87.11 162.57 46.40 87.37 1 0 19.08 -999 ? C2 PG5 J 167 >GLN^D 50 166.43 44.88 85.31 166.35 46.53 83.97 166.39 45.71 84.64 2 0 20.72 -999 ? C2 PG5 J 167 >LEU^D 51 161.22 42.47 81.38 159.38 43.53 81.97 160.30 43.00 81.67 3 0 13.55 -999 ? C2 PG5 J 167 >PRO^D 52 161.35 37.76 81.10 163.09 39.16 81.01 162.22 38.46 81.05 3 0 12.67 -999 ? O4 PG5 J 167 >MET?D 53 165.01 40.45 77.73 162.90 42.82 77.44 163.96 41.63 77.59 2 0 14.68 -999 ? O4 PG5 J 167 >GLU^D 54 168.30 36.24 75.18 168.09 34.14 75.42 168.20 35.19 75.30 2 0 16.23 -999 ? O4 PG5 J 167 >SER^D 55 168.18 39.89 71.92 169.11 37.79 71.10 168.65 38.84 71.51 2 0 18.45 -999 ? O4 PG5 J 167 >GLY^D 56 165.92 42.88 72.49 165.66 42.16 72.60 165.79 42.52 72.54 1 0 17.37 -999 ? O4 PG5 J 167 >LYS^D 57 162.71 40.84 73.03 162.80 38.62 67.21 162.75 39.73 70.12 2 0 14.95 -999 ? O4 PG5 J 167 >ILE^D 58 159.42 39.80 76.54 159.49 40.51 77.89 159.45 40.16 77.22 3 0 10.34 -999 ? O4 PG5 J 167 >ALA^D 59 162.10 35.85 75.96 163.52 35.46 76.38 162.81 35.65 76.17 2 0 11.84 -999 ? O4 PG5 J 167 >VAL^D 60 159.61 34.21 78.29 160.40 32.68 79.62 160.00 33.45 78.95 3 0 8.66 -999 ? O4 PG5 J 167 >THR^D 61 155.95 35.17 78.44 155.77 36.07 76.50 155.86 35.62 77.47 2 0 4.84 -999 ? O4 PG5 J 167 >GLY^D 62 152.72 34.11 80.14 153.36 34.28 80.61 153.04 34.20 80.38 1 0 -3.59 -999 ? C7 PG5 J 167s >LEU^D 63 150.18 32.71 83.89 148.85 34.46 84.20 149.51 33.58 84.05 3 0 7.11 -999 ? C5 PG5 J 167 >VAL^D 64 153.77 30.17 85.41 155.80 30.27 86.24 154.79 30.22 85.82 3 0 10.25 -999 ? C7 PG5 J 167 >GLY^D 65 151.62 27.09 85.91 151.59 27.53 85.26 151.60 27.31 85.59 1 0 8.47 -999 ? C5 PG5 J 166 >ARG^D 66 146.55 30.02 81.64 144.31 28.50 80.18 145.43 29.26 80.91 2 0 -3.44 -999 ? C5 PG5 J 166s >ASP^D 67 151.77 30.50 79.52 149.83 31.20 79.27 150.80 30.85 79.39 2 0 -3.66 -999 ? C6 PG5 J 167s >VAL^D 68 155.21 28.23 81.25 156.06 30.26 81.28 155.63 29.25 81.27 3 0 6.92 -999 ? C8 PG5 J 167 >ASP^D 69 157.00 24.22 83.13 158.73 24.05 81.86 157.87 24.13 82.50 2 0 11.42 -999 ? C8 PG5 J 166 >VAL^D 70 159.21 26.08 86.40 159.37 25.56 88.49 159.29 25.82 87.45 3 0 12.59 -999 ? C8 PG5 H 166 >ALA^D 71 162.26 25.34 84.24 162.54 24.04 83.49 162.40 24.69 83.86 2 0 15.16 -999 ? C8 PG5 J 167 >SER^D 72 161.27 27.96 81.66 160.18 26.76 79.89 160.72 27.36 80.78 2 0 10.47 -999 ? C8 PG5 J 167 >ALA^D 73 160.41 30.52 84.38 159.33 30.39 85.37 159.87 30.45 84.87 2 0 12.02 -999 ? C8 PG5 J 167 >GLN^D 74 163.78 28.06 87.75 164.29 26.05 88.28 164.03 27.06 88.02 2 0 16.34 -999 ? C8 PG5 H 166 >ARG^D 75 167.12 31.26 80.27 168.64 28.58 79.89 167.88 29.92 80.08 2 0 17.53 -999 ? C8 PG5 J 167 >ALA^D 76 163.17 34.03 82.68 161.63 34.15 82.84 162.40 34.09 82.76 2 0 11.99 -999 ? O4 PG5 J 167 >ALA^D 77 164.54 34.72 86.13 164.32 33.86 87.33 164.43 34.29 86.73 2 0 16.78 -999 ? C7 PG5 J 167 >GLU^D 78 168.85 31.77 85.13 169.32 29.92 84.19 169.09 30.85 84.66 2 0 19.36 -999 ? C8 PG5 J 167 >LEU^D 79 166.52 36.44 80.88 167.09 35.41 79.05 166.80 35.92 79.96 3 0 15.68 -999 ? O4 PG5 J 167 >CYH^D 80 166.02 39.21 84.51 163.26 38.79 84.79 164.64 39.00 84.65 2 0 15.28 -999 ? C7 PG5 J 167 >ALA^D 81 169.21 38.82 86.59 169.61 37.55 87.34 169.41 38.19 86.97 2 0 21.52 -999 ? O4 PG5 J 167 >VAL^D 82 171.46 39.31 83.52 172.11 38.04 81.83 171.78 38.68 82.67 3 0 21.70 -999 ? O4 PG5 J 167 >ASN^D 83 168.09 42.54 82.27 167.94 42.09 80.18 168.02 42.31 81.22 2 0 18.82 -999 ? O4 PG5 J 167 >ILE^D 84 169.66 42.91 87.71 168.96 42.79 88.99 169.31 42.85 88.35 3 0 23.29 -999 ? C7 PG5 J 167 >LEU^D 85 174.47 41.69 85.80 174.97 40.29 87.44 174.72 40.99 86.62 3 0 26.38 -999 ? O4 PG5 J 167 >ALA^D 86 173.80 45.03 82.73 172.99 44.78 81.47 173.40 44.90 82.10 2 0 24.69 -999 ? O4 PG5 J 167 >GLN^D 87 169.77 47.67 84.17 169.39 48.97 82.52 169.58 48.32 83.34 2 0 23.65 -999 ? O1 PG5 J 167 >VAL^D 88 174.64 47.64 87.46 174.67 46.46 89.32 174.65 47.05 88.39 3 0 29.32 -999 ? C7 PG5 J 167 >LYS^D 89 177.63 47.54 85.08 180.85 45.08 80.15 179.24 46.31 82.62 2 0 31.57 -999 ? O4 PG5 J 167 >ALA^D 90 176.32 50.75 83.40 174.96 50.91 82.68 175.64 50.83 83.04 2 0 29.36 -999 ? O1 PG5 J 167 >ALA^D 91 175.81 52.31 86.86 174.97 51.64 87.97 175.39 51.97 87.41 2 0 31.37 -999 ? O1 PG5 J 167 >LEU^D 92 179.67 50.15 88.52 178.83 49.63 90.48 179.25 49.89 89.50 3 0 34.74 -999 ? C7 PG5 J 167 >ASN^D 93 181.82 53.94 85.01 180.60 55.64 85.39 181.21 54.79 85.20 2 0 36.85 -999 ? O1 PG5 J 167 >GLY^D 94 181.84 49.26 83.35 181.82 49.32 84.14 181.83 49.29 83.74 1 0 34.77 -999 ? O4 PG5 J 167 >ASP^D 95 184.08 48.37 87.35 185.88 48.37 86.27 184.98 48.37 86.81 2 0 38.62 -999 ? O4 PG5 J 167 >LEU^D 96 180.33 43.60 87.57 178.40 43.37 86.52 179.37 43.48 87.05 3 0 31.37 -999 ? O4 PG5 J 167 >SER^D 97 183.76 44.52 90.76 185.62 45.67 89.71 184.69 45.09 90.23 2 0 38.50 -999 ? O4 PG5 J 167 >LYS^D 98 182.55 47.70 92.46 185.83 52.07 89.37 184.19 49.89 90.92 2 0 41.09 -999 ? O4 PG5 J 167 >ILE^D 99 178.80 44.57 93.11 177.72 43.89 92.54 178.26 44.23 92.82 3 0 33.12 -999 ? C7 PG5 J 167 >ARG^D 100 180.87 48.92 98.97 183.08 48.54 101.12 181.97 48.73 100.05 2 0 42.30 -999 ? O4 PG5 H 166 >ARG^D 101 175.58 41.50 100.37 177.30 39.18 101.38 176.44 40.34 100.87 2 0 32.49 -999 ? O4 PG5 H 166 >VAL^D 102 173.62 42.57 96.50 173.03 41.57 94.69 173.33 42.07 95.60 3 0 30.14 -999 ? C7 PG5 J 167 >ILE^D 103 171.18 45.17 99.74 171.73 45.27 101.14 171.45 45.22 100.44 3 0 31.31 -999 ? O4 PG5 H 166 >LYS^D 104 167.93 42.68 98.05 162.82 43.24 100.24 165.37 42.96 99.14 2 0 24.12 -999 ? C6 PG5 H 166 >LEU^D 105 166.61 39.88 94.31 168.32 39.73 92.97 167.46 39.81 93.64 3 0 24.11 -999 ? C7 PG5 J 167 >ASN^D 106 161.55 42.66 94.90 162.04 43.60 96.75 161.79 43.13 95.83 2 0 23.51 -999 ? C6 PG5 H 166 >GLY^D 107 161.24 38.62 92.45 160.65 38.96 92.94 160.94 38.79 92.70 1 0 19.13 -999 ? C7 PG5 J 167 >PHE^D 108 157.87 41.50 91.27 158.57 43.57 92.97 158.22 42.54 92.12 3 0 18.66 -999 ? O2 PG5 J 167 >VAL^D 109 156.48 35.89 89.13 157.45 33.96 89.57 156.97 34.92 89.35 3 0 13.76 -999 ? C7 PG5 J 167 >ALA^D 110 153.29 36.00 86.95 153.21 36.38 85.47 153.25 36.19 86.21 2 0 9.15 -999 ? C7 PG5 J 167 >SER^D 111 151.38 33.07 88.44 153.09 33.08 90.18 152.24 33.08 89.31 2 0 11.16 -999 ? C6 PG5 H 166 >VAL^D 112 148.07 31.24 88.30 147.97 29.60 86.86 148.02 30.42 87.58 3 0 9.55 -999 ? C5 PG5 J 166 >PRO^D 113 144.90 32.22 91.08 146.79 31.05 91.17 145.85 31.63 91.13 3 0 8.17 -999 ? C5 PG5 H 166 >GLU^D 114 145.34 26.05 91.42 144.37 27.72 90.55 144.86 26.89 90.99 2 0 -6.22 -999 ? C5 PG5 H 166s >PHE^D 115 153.23 28.53 89.95 155.98 28.32 89.96 154.61 28.43 89.96 3 0 9.00 -999 ? O4 PG5 H 166 >VAL^D 116 153.14 28.09 94.55 151.64 26.89 95.62 152.39 27.49 95.08 3 0 4.97 -999 ? O4 PG5 H 166 >GLU^D 117 156.56 25.08 93.57 157.09 23.22 92.66 156.83 24.15 93.11 2 0 7.63 -999 ? C8 PG5 H 166 >GLN^D 118 155.63 32.63 92.84 154.02 31.56 93.72 154.83 32.10 93.28 2 0 9.31 -999 ? C6 PG5 H 166 >HIS^D 119 160.13 28.58 96.78 159.09 26.76 96.81 159.61 27.67 96.79 3 0 11.04 -999 ? O4 PG5 H 166 >LEU^D 120 161.37 26.61 92.46 161.51 24.84 93.73 161.44 25.73 93.09 3 0 12.21 -999 ? C8 PG5 H 166 >VAL^D 121 161.55 30.32 89.91 159.78 31.01 88.73 160.66 30.66 89.32 3 0 14.64 -999 ? O4 PG5 H 166 >ILE^D 122 163.04 34.15 92.65 162.85 35.37 91.86 162.94 34.76 92.25 3 0 17.86 -999 ? O4 PG5 H 166 >ASN^D 123 166.10 29.15 92.90 165.54 28.89 94.97 165.82 29.02 93.93 2 0 16.96 -999 ? O4 PG5 H 166 >GLY^D 124 167.16 30.98 88.71 167.24 31.49 89.38 167.20 31.23 89.05 1 0 19.87 -999 ? C8 PG5 J 167 >ALA^D 125 168.16 34.59 89.43 167.15 35.68 89.71 167.66 35.13 89.57 2 0 20.57 -999 ? C7 PG5 J 167 >SER^D 126 169.58 34.00 92.94 167.76 34.42 94.51 168.67 34.21 93.73 2 0 21.33 -999 ? O4 PG5 H 166 >ASN^D 127 171.35 29.71 91.30 170.18 28.58 92.67 170.77 29.15 91.98 2 0 21.38 -999 ? C8 PG5 H 166 >LEU^D 128 172.32 33.55 87.64 172.80 34.96 86.00 172.56 34.25 86.82 3 0 23.39 -999 ? O4 PG5 J 167 >ILE^D 129 172.88 37.08 91.55 173.07 38.42 91.00 172.97 37.75 91.27 3 0 26.41 -999 ? C7 PG5 J 167 >ALA^D 130 175.60 34.18 93.64 174.91 33.26 94.60 175.25 33.72 94.12 2 0 27.26 -999 ? O4 PG5 H 166 >THR^D 131 177.60 32.14 91.10 177.18 30.39 89.92 177.39 31.26 90.51 2 0 28.90 -999 ? C8 PG5 J 167 >VAL^D 132 179.02 35.11 89.14 177.51 35.88 87.75 178.26 35.50 88.44 3 0 29.28 -999 ? O4 PG5 J 167 >LEU^D 133 178.49 38.35 92.61 178.00 40.22 91.59 178.25 39.29 92.10 3 0 31.51 -999 ? O4 PG5 J 167 >GLY^D 134 180.49 34.89 94.87 179.89 35.43 94.88 180.19 35.16 94.87 1 0 33.05 -999 ? O4 PG5 H 166 >GLU^D 135 180.29 36.51 100.94 178.61 35.51 101.83 179.45 36.01 101.38 2 0 32.16 -999 ? O4 PG5 H 166 >PRO^D 136 181.26 39.62 97.08 179.30 38.77 97.78 180.28 39.20 97.43 3 0 34.63 -999 ? O4 PG5 H 166 >GLY^D 137 176.15 38.09 95.46 176.22 37.92 96.23 176.18 38.01 95.85 1 0 30.41 -999 ? O4 PG5 H 166 >ARG^D 138 176.20 33.63 99.92 175.33 32.31 102.56 175.76 32.97 101.24 2 0 28.22 -999 ? O4 PG5 H 166 >HIS^D 139 170.34 38.01 96.69 169.96 36.34 95.47 170.15 37.18 96.08 3 0 24.80 -999 ? O4 PG5 H 166 >ALA^D 140 167.96 39.10 100.96 167.57 40.21 101.93 167.77 39.65 101.44 2 0 25.48 -999 ? O4 PG5 H 166 >ARG^D 141 165.23 35.48 96.26 164.61 32.49 95.95 164.92 33.99 96.11 2 0 17.62 -999 ? O4 PG5 H 166 >ALA^D 142 161.16 38.36 98.32 160.27 39.61 98.52 160.71 38.98 98.42 2 0 19.47 -999 ? C6 PG5 H 166 >ALA^D 143 159.46 35.92 95.89 160.10 34.50 95.77 159.78 35.21 95.83 2 0 15.31 -999 ? O4 PG5 H 166 >VAL^D 144 155.81 36.59 95.13 156.01 38.60 95.93 155.91 37.59 95.53 3 0 15.02 -999 ? C6 PG5 H 166 >GLY^D 145 153.04 35.59 92.72 152.99 36.33 93.10 153.02 35.96 92.91 1 0 12.21 -999 ? C6 PG5 H 166 >MET?D 146 151.64 38.31 90.45 154.05 39.90 92.07 152.85 39.10 91.26 2 0 16.18 -999 ? O2 PG5 J 167 >ALA^D 147 148.37 38.47 88.41 147.26 39.55 88.50 147.81 39.01 88.46 2 0 11.50 -999 ? O2 PG5 J 167 >SER^D 148 150.39 39.56 85.35 148.54 41.10 84.88 149.47 40.33 85.11 2 0 8.41 -999 ? O2 PG5 J 167 >LEU^D 149 154.71 41.00 84.58 155.56 40.47 86.52 155.14 40.74 85.55 3 0 11.32 -999 ? O2 PG5 J 167 >PRO^D 150 155.04 45.72 83.57 154.19 43.99 82.40 154.61 44.85 82.98 3 0 10.36 -999 ? C2 PG5 J 167 >PHE^D 151 156.26 44.71 77.59 156.70 47.46 77.32 156.48 46.08 77.45 3 0 9.88 -999 ? O1 PG5 J 167 >ASN^D 152 152.59 38.98 78.36 151.47 37.22 78.82 152.03 38.10 78.59 2 0 -3.76 -999 ? O3 PG5 J 167s >ALA^D 153 156.71 38.94 81.11 157.61 39.96 81.85 157.16 39.45 81.48 2 0 10.20 -999 ? C7 PG5 J 167 >SER^D 154 156.72 35.76 83.18 156.47 34.00 81.57 156.59 34.88 82.38 2 0 7.06 -999 ? C7 PG5 J 167 >VAL^D 155 159.10 37.28 85.75 160.47 35.75 86.63 159.78 36.51 86.19 3 0 12.95 -999 ? C7 PG5 J 167 >GLU^D 156 159.67 43.35 86.83 158.13 44.79 86.94 158.90 44.07 86.88 2 0 15.24 -999 ? C2 PG5 J 167 >ILE^D 157 164.16 40.32 89.23 164.77 39.05 89.81 164.46 39.68 89.52 3 0 19.25 -999 ? C7 PG5 J 167 >ASP^D 158 163.38 45.77 91.25 162.52 45.63 93.18 162.95 45.70 92.22 2 0 22.76 -999 ? C2 PG5 J 167 >ALA^D 159 167.36 45.04 93.06 168.50 44.50 92.21 167.93 44.77 92.63 2 0 25.48 -999 ? C7 PG5 J 167 >ILE^D 160 168.51 47.42 97.02 167.87 48.36 97.97 168.19 47.89 97.50 3 0 30.11 -999 ? C2 PG5 J 167 >VAL^D 161 172.93 46.85 95.51 173.72 45.93 93.71 173.33 46.39 94.61 3 0 31.04 -999 ? C7 PG5 J 167 >GLU^D 162 176.84 48.74 100.03 177.57 47.85 101.78 177.21 48.29 100.91 2 0 37.72 -999 ? O4 PG5 H 166 >ILE^D 163 177.88 50.49 94.40 176.86 51.11 93.54 177.37 50.80 93.97 3 0 35.60 -999 ? C7 PG5 J 167 >ASN^E 4 44.22 57.98 21.07 45.33 57.07 19.44 44.77 57.52 20.25 2 0 44.84 -999 ? C1 PG5 E 166 >LEU^E 5 41.55 60.23 25.16 40.78 62.17 25.73 41.16 61.20 25.45 3 0 45.17 -999 ? C1 PG5 E 166 >TYR^E 6 44.28 55.63 29.27 45.49 54.48 31.50 44.88 55.06 30.38 3 0 43.09 -999 ? C1 PG5 E 166 >PHE^E 7 48.31 55.41 25.69 48.67 52.72 26.38 48.49 54.07 26.03 3 0 41.36 -999 ? C1 PG5 E 166 >GLN^E 8 46.99 63.70 24.86 45.38 65.05 24.30 46.18 64.37 24.58 2 0 40.59 -999 ? C1 PG5 E 166 >GLY^E 9 46.49 61.82 29.55 47.14 61.40 29.26 46.81 61.61 29.40 1 0 39.15 -999 ? C1 PG5 E 166 >MET?E 10 49.27 59.57 30.85 49.37 55.27 30.81 49.32 57.42 30.83 2 0 39.03 -999 ? C1 PG5 E 166 >SER^E 11 51.80 61.68 28.88 52.16 60.82 26.66 51.98 61.25 27.77 2 0 35.07 -999 ? C1 PG5 E 166 >ASP^E 12 48.88 65.33 30.23 48.22 65.97 28.29 48.55 65.65 29.26 2 0 36.63 -999 ? C1 PG5 E 166 >VAL^E 13 50.72 63.43 33.79 49.53 62.15 35.07 50.12 62.79 34.43 3 0 34.80 -999 ? C1 PG5 E 166 >ILE^E 14 54.93 61.45 32.16 55.52 60.29 31.67 55.23 60.87 31.91 3 0 31.15 -999 ? C1 PG5 E 166 >GLU^E 15 55.56 65.86 29.34 55.51 67.06 27.61 55.53 66.46 28.48 2 0 29.76 -999 ? C1 PG5 E 166 >GLY^E 16 53.35 67.64 34.58 53.95 67.08 34.63 53.65 67.36 34.61 1 0 30.33 -999 ? C1 PG5 E 166 >ARG^E 17 54.19 62.08 37.72 52.77 59.37 37.62 53.48 60.72 37.67 2 0 33.63 -999 ? C1 PG5 E 166 >LEU^E 18 58.92 66.48 34.24 60.94 66.40 33.52 59.93 66.44 33.88 3 0 24.43 -999 ? C1 PG5 E 166 >LYS^E 19 57.27 70.49 35.75 53.69 72.08 30.86 55.48 71.29 33.30 2 0 29.84 -999 ? C1 PG5 E 166 >GLU^E 20 54.14 69.19 39.66 52.79 67.63 40.13 53.47 68.41 39.90 2 0 30.97 -999 ? C1 PG5 E 166 >LEU^E 21 60.88 67.73 39.30 60.67 65.78 40.22 60.78 66.75 39.76 3 0 23.54 -999 ? C1 PG5 E 166 >GLY^E 22 61.07 72.30 38.10 61.09 71.65 37.63 61.08 71.98 37.86 1 0 21.90 -999 ? C1 PG5 E 166 >PHE^E 23 63.92 69.67 35.56 65.99 69.56 37.42 64.95 69.61 36.49 3 0 18.52 -999 ? C1 PG5 E 166 >THR^E 24 60.53 71.59 31.21 60.31 73.72 30.90 60.42 72.65 31.06 2 0 23.29 -999 ? C1 PG5 E 166 >LEU^E 25 60.63 68.25 27.69 60.33 66.18 28.35 60.48 67.21 28.02 3 0 25.09 -999 ? C1 PG5 E 166 >PRO^E 26 65.45 69.49 26.45 63.52 70.63 26.32 64.48 70.06 26.39 3 0 21.55 -999 ? C1 PG5 E 166 >ALA^E 33 75.00 63.90 12.02 75.60 64.15 13.45 75.30 64.03 12.73 2 0 21.96 -999 ? O4 PG5 E 166 >ASN^E 34 77.66 60.06 10.73 77.78 60.89 8.79 77.72 60.48 9.76 2 0 25.72 -999 ? O4 PG5 E 166 >TYR^E 35 76.62 60.65 16.62 77.51 63.07 17.65 77.07 61.86 17.14 3 0 19.65 -999 ? O4 PG5 E 166 >VAL^E 36 71.70 59.94 15.96 70.86 58.40 14.63 71.28 59.17 15.29 3 0 25.76 -999 ? O4 PG5 E 166 >PRO^E 37 68.70 62.21 18.19 70.30 60.73 18.64 69.50 61.47 18.41 3 0 24.44 -999 ? O4 PG5 E 166 >PHE^E 38 65.93 58.33 19.36 64.06 59.64 17.80 64.99 58.99 18.58 3 0 29.08 -999 ? O4 PG5 E 166 >THR^E 39 67.72 54.16 17.57 69.75 53.45 17.21 68.73 53.80 17.39 2 0 29.19 -999 ? O4 PG5 E 166 >ILE^E 40 63.53 51.88 17.64 62.26 52.31 17.88 62.89 52.10 17.76 3 0 34.60 -999 ? O4 PG5 E 166 >SER^E 41 65.35 47.79 17.54 66.80 45.82 17.32 66.08 46.80 17.43 2 0 36.25 -999 ? O4 PG5 E 166 >GLY^E 42 62.24 45.74 18.17 62.40 46.57 18.30 62.32 46.15 18.23 1 0 38.97 -999 ? O4 PG5 E 166 >ASN^E 43 59.62 46.54 22.08 60.27 44.93 23.26 59.94 45.74 22.67 2 0 39.54 -999 ? C1 PG5 E 166 >LEU^E 44 65.22 47.68 22.88 65.39 46.28 24.54 65.30 46.98 23.71 3 0 34.80 -999 ? O4 PG5 E 166 >LEU^E 45 63.87 53.27 22.82 63.70 55.37 22.22 63.79 54.32 22.52 3 0 31.17 -999 ? C1 PG5 E 166 >TYR^E 46 69.81 50.92 22.14 70.21 48.29 23.00 70.01 49.60 22.57 3 0 30.04 -999 ? O4 PG5 E 166 >VAL^E 47 69.14 56.71 23.61 67.67 57.94 24.73 68.41 57.33 24.17 3 0 25.61 -999 ? O4 PG5 E 166 >SER^E 48 72.58 58.30 22.96 72.89 58.54 20.62 72.73 58.42 21.79 2 0 22.54 -999 ? O4 PG5 E 166 >GLY^E 49 74.61 59.70 25.86 74.19 60.06 25.24 74.40 59.88 25.55 1 0 19.09 -999 ? O4 PG5 E 166 >GLN^E 50 70.56 62.30 26.47 70.56 63.13 24.54 70.56 62.71 25.51 2 0 20.72 -999 ? C1 PG5 E 166 >LEU^E 51 75.71 66.74 27.65 77.54 65.90 26.76 76.62 66.32 27.21 3 0 13.52 -999 ? O4 PG5 E 166 >PRO^E 52 75.63 68.30 32.15 73.89 67.93 30.78 74.76 68.11 31.46 3 0 11.57 -999 ? C1 PG5 E 166 >MET?E 53 71.96 70.71 28.58 73.93 70.58 26.10 72.95 70.65 27.34 2 0 14.45 -999 ? C1 PG5 E 166 >GLU^E 54 68.65 74.50 31.88 68.56 74.56 33.99 68.60 74.53 32.94 2 0 14.55 -999 ? C1 PG5 E 166 >SER^E 55 68.73 76.50 27.63 67.98 77.79 29.58 68.35 77.14 28.60 2 0 16.86 -999 ? C1 PG5 E 166 >GLY^E 56 70.95 75.13 24.90 71.21 75.25 25.63 71.08 75.19 25.26 1 0 16.84 -999 ? C1 PG5 E 166 >LYS^E 57 74.15 75.27 27.01 73.94 80.14 24.09 74.05 77.70 25.55 2 0 16.41 -999 ? C2 PG5 E 166 >ILE^E 58 77.49 72.14 28.89 77.48 70.64 28.58 77.48 71.39 28.73 3 0 10.16 -999 ? C1 PG5 E 166 >ALA^E 59 74.89 73.80 32.58 73.43 73.50 33.01 74.16 73.65 32.79 2 0 10.18 -999 ? C1 PG5 E 166 >VAL^E 60 77.37 71.91 34.82 76.49 71.03 36.65 76.93 71.47 35.73 3 0 6.69 -999 ? C1 PG5 E 166 >THR^E 61 81.04 71.47 33.87 81.20 73.15 32.52 81.12 72.31 33.20 2 0 -4.74 -999 ? C3 PG5 E 166s >GLY^E 62 84.26 70.12 35.37 83.61 69.63 35.34 83.93 69.87 35.35 1 0 4.14 -999 ? C3 PG5 E 166 >LEU^E 63 86.76 66.96 37.84 88.09 66.18 36.26 87.43 66.57 37.05 3 0 6.91 -999 ? C4 PG5 E 166 >VAL^E 64 83.23 66.08 40.56 81.22 65.25 40.65 82.22 65.67 40.60 3 0 9.57 -999 ? C1 PG5 E 166 >GLY^E 65 85.35 66.51 43.68 85.40 67.02 43.06 85.37 66.76 43.37 1 0 8.20 -999 ? C6 PG5 K 166 >ARG^E 66 90.38 69.79 39.69 92.60 71.61 40.76 91.49 70.70 40.23 2 0 -3.65 -999 ? C6 PG5 K 166s >ASP^E 67 85.16 71.80 38.72 87.10 71.80 37.97 86.13 71.80 38.34 2 0 3.78 -999 ? C4 PG5 E 166s >VAL^E 68 81.68 70.61 41.26 81.16 69.73 39.28 81.42 70.17 40.27 3 0 5.67 -999 ? C1 PG5 E 166 >ASP^E 69 79.89 69.97 45.69 78.14 71.21 45.54 79.02 70.59 45.62 2 0 10.41 -999 ? C1 PG5 E 166 >VAL^E 70 77.77 66.24 44.79 77.68 64.31 45.92 77.73 65.28 45.35 3 0 13.26 -999 ? C8 PG5 L 166 >ALA^E 71 74.72 68.52 44.90 74.42 69.59 45.95 74.57 69.06 45.43 2 0 13.33 -999 ? C1 PG5 E 166 >SER^E 72 75.72 70.32 41.72 76.88 72.35 42.33 76.30 71.33 42.02 2 0 8.38 -999 ? C1 PG5 E 166 >ALA^E 73 76.58 67.01 40.03 77.66 66.04 40.49 77.12 66.53 40.26 2 0 10.52 -999 ? C1 PG5 E 166 >GLN^E 74 73.22 64.53 43.30 72.61 64.48 45.32 72.92 64.51 44.31 2 0 16.61 -999 ? C1 PG5 E 166 >ARG^E 75 69.86 70.81 38.16 68.45 72.42 40.36 69.15 71.61 39.26 2 0 14.94 -999 ? C1 PG5 E 166 >ALA^E 76 73.75 67.80 36.18 75.31 67.61 36.14 74.53 67.70 36.16 2 0 10.18 -999 ? C1 PG5 E 166 >ALA^E 77 72.40 64.22 36.38 72.63 63.28 37.50 72.51 63.75 36.94 2 0 15.13 -999 ? C1 PG5 E 166 >GLU^E 78 68.11 65.99 39.00 67.62 67.43 40.51 67.87 66.71 39.76 2 0 17.15 -999 ? C1 PG5 E 166 >LEU^E 79 70.31 68.79 33.24 69.89 70.83 33.87 70.10 69.81 33.55 3 0 13.93 -999 ? C1 PG5 E 166 >CYH^E 80 70.94 64.50 31.60 73.71 64.40 32.14 72.33 64.45 31.87 2 0 14.35 -999 ? C1 PG5 E 166 >ALA^E 81 67.76 62.62 32.61 67.39 62.28 34.04 67.58 62.45 33.33 2 0 19.85 -999 ? C1 PG5 E 166 >VAL^E 82 65.54 65.49 31.31 64.89 67.46 32.01 65.21 66.47 31.66 3 0 20.01 -999 ? C1 PG5 E 166 >ASN^E 83 68.82 65.82 27.78 69.01 67.92 27.79 68.92 66.87 27.78 2 0 17.75 -999 ? C1 PG5 E 166 >ILE^E 84 67.33 60.50 28.96 67.99 59.32 29.48 67.66 59.91 29.22 3 0 22.34 -999 ? C1 PG5 E 166 >LEU^E 85 62.48 62.61 29.61 61.95 61.32 31.35 62.21 61.96 30.48 3 0 24.92 -999 ? C1 PG5 E 166 >ALA^E 86 63.10 64.67 25.59 63.93 65.93 25.55 63.52 65.30 25.57 2 0 23.59 -999 ? C1 PG5 E 166 >GLN^E 87 67.16 62.53 23.27 67.39 63.76 21.57 67.28 63.14 22.42 2 0 24.08 -999 ? O4 PG5 E 166 >VAL^E 88 62.32 59.38 24.28 62.29 57.91 25.93 62.31 58.64 25.11 3 0 28.42 -999 ? C1 PG5 E 166 >LYS^E 89 59.32 61.73 23.77 56.21 67.18 24.78 57.76 64.45 24.28 2 0 30.11 -999 ? C1 PG5 E 166 >ALA^E 90 60.64 62.45 20.23 61.96 63.14 19.91 61.30 62.79 20.07 2 0 29.15 -999 ? C1 PG5 E 166 >ALA^E 91 61.22 58.76 19.53 62.13 57.88 20.36 61.67 58.32 19.94 2 0 31.21 -999 ? C1 PG5 E 166 >LEU^E 92 57.38 57.65 22.16 58.16 55.83 23.07 57.77 56.74 22.61 3 0 33.81 -999 ? C1 PG5 E 166 >ASN^E 93 55.18 60.09 17.53 56.49 59.37 16.01 55.84 59.73 16.77 2 0 36.80 -999 ? C1 PG5 E 166 >GLY^E 94 55.16 62.92 21.63 55.15 62.11 21.75 55.16 62.51 21.69 1 0 33.60 -999 ? C1 PG5 E 166 >ASP^E 95 53.04 59.12 23.06 51.13 58.99 23.88 52.09 59.06 23.47 2 0 37.56 -999 ? C1 PG5 E 166 >LEU^E 96 56.44 60.34 28.04 58.34 61.46 28.10 57.39 60.90 28.07 3 0 30.12 -999 ? C1 PG5 E 166 >SER^E 97 53.13 56.95 28.09 51.24 57.62 26.77 52.19 57.29 27.43 2 0 37.17 -999 ? C1 PG5 E 166 >LYS^E 98 54.49 54.53 25.45 52.36 55.29 19.59 53.43 54.91 22.52 2 0 39.90 -999 ? C1 PG5 E 166 >ILE^E 99 58.10 54.84 28.88 59.24 55.59 29.40 58.67 55.22 29.14 3 0 31.81 -999 ? C1 PG5 E 166 >ARG^E 100 56.12 47.77 26.43 53.41 46.45 27.20 54.76 47.11 26.81 2 0 41.74 -999 ? C1 PG5 E 166 >ARG^E 101 61.52 48.66 33.81 59.78 48.22 36.30 60.65 48.44 35.06 2 0 32.67 -999 ? O4 PG5 L 166 >VAL^E 102 63.37 52.04 31.64 63.90 54.10 32.18 63.64 53.07 31.91 3 0 29.14 -999 ? C1 PG5 E 166 >ILE^E 103 65.89 48.24 29.98 65.27 46.99 30.31 65.58 47.61 30.15 3 0 31.28 -999 ? O4 PG5 L 166 >LYS^E 104 69.04 50.54 31.93 74.17 48.46 32.24 71.61 49.50 32.09 2 0 23.89 -999 ? O4 PG5 L 166 >LEU^E 105 70.38 54.89 33.67 68.61 56.13 33.36 69.50 55.51 33.51 3 0 23.39 -999 ? C1 PG5 E 166 >ASN^E 106 75.44 53.60 31.11 75.00 51.56 30.69 75.22 52.58 30.90 2 0 23.56 -999 ? O4 PG5 L 166 >GLY^E 107 75.74 57.05 34.38 76.33 56.51 34.14 76.04 56.78 34.26 1 0 18.94 -999 ? C1 PG5 E 166 >PHE^E 108 79.13 57.39 31.27 78.45 55.15 29.80 78.79 56.27 30.53 3 0 18.73 -999 ? C7 PG5 E 166 >VAL^E 109 80.50 60.98 36.10 79.56 61.03 38.06 80.03 61.00 37.08 3 0 13.73 -999 ? C1 PG5 E 166 >ALA^E 110 83.63 63.11 35.38 83.67 64.43 34.59 83.65 63.77 34.99 2 0 9.29 -999 ? C4 PG5 E 166 >SER^E 111 85.58 62.45 38.59 83.85 60.72 39.02 84.72 61.59 38.80 2 0 11.33 -999 ? C7 PG5 L 166 >VAL^E 112 88.84 63.12 40.37 88.89 64.99 41.58 88.87 64.05 40.98 3 0 9.34 -999 ? C6 PG5 K 166 >PRO^E 113 92.19 60.34 40.21 90.22 60.42 41.30 91.20 60.38 40.75 3 0 8.25 -999 ? C7 PG5 L 166 >GLU^E 114 91.64 61.59 46.19 92.57 61.83 44.31 92.11 61.71 45.25 2 0 6.42 -999 ? O3 PG5 L 166 >PHE^E 115 83.79 62.17 43.40 81.00 62.24 43.65 82.40 62.21 43.52 3 0 9.29 -999 ? O4 PG5 L 166 >VAL^E 116 83.87 57.86 45.07 85.38 57.15 46.47 84.63 57.51 45.77 3 0 4.97 -999 ? O4 PG5 L 166 >GLU^E 117 80.25 59.70 47.69 80.00 61.28 49.11 80.12 60.49 48.40 2 0 8.62 -999 ? C8 PG5 L 166 >GLN^E 118 81.32 58.19 40.19 82.97 57.65 41.45 82.15 57.92 40.82 2 0 9.34 -999 ? O4 PG5 L 166 >HIS^E 119 76.83 55.54 45.14 77.87 55.95 46.91 77.35 55.75 46.03 3 0 11.53 -999 ? O4 PG5 L 166 >LEU^E 120 75.64 60.25 45.89 75.51 59.33 47.89 75.58 59.79 46.89 3 0 13.04 -999 ? C8 PG5 L 166 >VAL^E 121 75.45 61.69 41.63 77.16 62.68 40.66 76.30 62.18 41.15 3 0 14.54 -999 ? C1 PG5 E 166 >ILE^E 122 73.97 57.98 38.76 74.15 58.35 37.35 74.06 58.17 38.05 3 0 18.03 -999 ? O4 PG5 L 166 >ASN^E 123 70.94 59.13 43.60 71.51 57.22 44.41 71.23 58.18 44.01 2 0 17.43 -999 ? O4 PG5 L 166 >GLY^E 124 69.83 62.62 40.67 69.73 61.86 40.40 69.78 62.24 40.54 1 0 17.98 -999 ? C1 PG5 E 166 >ALA^E 125 68.75 61.04 37.37 69.74 60.51 36.28 69.25 60.78 36.82 2 0 19.12 -999 ? C1 PG5 E 166 >SER^E 126 67.36 57.83 38.94 69.23 56.26 38.97 68.30 57.04 38.95 2 0 21.64 -999 ? O4 PG5 L 166 >ASN^E 127 65.68 60.56 42.56 66.78 59.51 44.04 66.23 60.04 43.30 2 0 22.16 -999 ? O4 PG5 L 166 >LEU^E 128 64.68 63.07 37.89 64.16 64.35 36.14 64.42 63.71 37.02 3 0 21.31 -999 ? C1 PG5 E 166 >ILE^E 129 64.10 58.34 35.58 63.87 58.41 34.09 63.98 58.37 34.83 3 0 24.84 -999 ? C1 PG5 E 166 >ALA^E 130 61.36 57.06 38.91 62.05 56.44 40.07 61.71 56.75 39.49 2 0 27.68 -999 ? C1 PG5 E 166 >THR^E 131 59.42 60.08 40.23 59.80 61.73 41.56 59.61 60.91 40.89 2 0 26.72 -999 ? C1 PG5 E 166 >VAL^E 132 57.97 61.11 36.86 59.48 62.30 35.79 58.73 61.71 36.33 3 0 27.26 -999 ? C1 PG5 E 166 >LEU^E 133 58.42 56.91 34.56 59.09 57.53 32.57 58.75 57.22 33.57 3 0 29.78 -999 ? C1 PG5 E 166 >GLY^E 134 56.55 55.76 38.61 57.12 55.59 38.04 56.84 55.67 38.33 1 0 32.29 -999 ? C1 PG5 E 166 >GLU^E 135 56.66 49.47 38.83 58.37 49.03 40.03 57.51 49.25 39.43 2 0 32.45 -999 ? O4 PG5 L 166 >PRO^E 136 55.69 52.29 34.64 57.68 51.82 35.64 56.68 52.06 35.14 3 0 34.46 -999 ? C1 PG5 E 166 >GLY^E 137 60.87 54.24 35.63 60.81 53.55 36.02 60.84 53.89 35.83 1 0 29.86 -999 ? C1 PG5 E 166 >ARG^E 138 60.88 51.17 41.24 61.68 49.00 43.25 61.28 50.09 42.25 2 0 28.60 -999 ? O4 PG5 L 166 >HIS^E 139 66.67 53.11 36.12 67.00 54.75 37.38 66.84 53.93 36.75 3 0 25.05 -999 ? O4 PG5 L 166 >ALA^E 140 69.04 48.76 36.16 69.43 47.55 35.35 69.24 48.15 35.76 2 0 25.47 -999 ? O4 PG5 L 166 >ARG^E 141 71.72 54.17 38.51 72.39 55.32 41.29 72.06 54.74 39.90 2 0 17.88 -999 ? O4 PG5 L 166 >ALA^E 142 75.83 51.47 36.22 76.74 50.88 35.09 76.29 51.18 35.66 2 0 19.42 -999 ? O4 PG5 L 166 >ALA^E 143 77.54 54.48 37.82 76.90 55.00 39.14 77.22 54.74 38.48 2 0 15.39 -999 ? O4 PG5 L 166 >VAL^E 144 81.21 55.09 37.04 81.02 53.74 35.33 81.11 54.41 36.18 3 0 15.18 -999 ? O4 PG5 L 166 >GLY^E 145 83.98 57.69 37.32 84.01 57.12 36.71 83.99 57.41 37.01 1 0 12.40 -999 ? C7 PG5 L 166 >MET?E 146 85.34 59.13 34.07 83.96 57.08 31.74 84.65 58.11 32.90 2 0 15.72 -999 ? C7 PG5 E 166 >ALA^E 147 88.57 61.10 33.38 89.68 60.68 32.38 89.13 60.89 32.88 2 0 11.35 -999 ? C7 PG5 E 166 >SER^E 148 86.56 63.79 31.51 88.48 63.66 29.93 87.52 63.72 30.72 2 0 8.24 -999 ? C7 PG5 E 166 >LEU^E 149 82.24 64.08 29.97 81.41 62.32 31.00 81.83 63.20 30.49 3 0 11.36 -999 ? C7 PG5 E 166 >PRO^E 150 81.85 63.86 25.16 82.69 65.41 26.52 82.27 64.64 25.84 3 0 10.45 -999 ? O4 PG5 E 166 >PHE^E 151 80.62 69.78 24.51 80.14 69.20 21.79 80.38 69.49 23.15 3 0 10.56 -999 ? O4 PG5 E 166 >ASN^E 152 84.28 70.63 30.31 85.49 70.61 32.08 84.88 70.62 31.19 2 0 -3.78 -999 ? C4 PG5 E 166s >ALA^E 153 80.23 68.03 31.05 79.27 67.18 30.23 79.75 67.61 30.64 2 0 10.17 -999 ? C3 PG5 E 166 >SER^E 154 80.24 66.79 34.65 80.36 68.88 35.89 80.30 67.84 35.27 2 0 6.15 -999 ? C1 PG5 E 166 >VAL^E 155 77.88 63.90 33.81 76.48 63.42 35.52 77.18 63.66 34.66 3 0 12.36 -999 ? C1 PG5 E 166 >GLU^E 156 77.25 61.20 28.33 78.79 60.78 26.92 78.02 60.99 27.63 2 0 15.26 -999 ? O4 PG5 E 166 >ILE^E 157 72.86 59.71 31.92 72.23 59.54 33.26 72.54 59.62 32.59 3 0 18.53 -999 ? C1 PG5 E 166 >ASP^E 158 73.62 56.35 27.18 74.45 54.48 27.76 74.03 55.41 27.47 2 0 22.76 -999 ? O4 PG5 E 166 >ALA^E 159 69.66 54.70 28.32 68.49 55.58 28.71 69.07 55.14 28.52 2 0 25.04 -999 ? C1 PG5 E 166 >ILE^E 160 68.44 50.30 27.08 69.12 49.23 26.65 68.78 49.77 26.87 3 0 30.06 -999 ? O4 PG5 E 166 >VAL^E 161 64.03 51.89 27.30 63.26 53.92 27.61 63.65 52.90 27.45 3 0 30.33 -999 ? C1 PG5 E 166 >GLU^E 162 60.17 47.02 26.70 59.58 45.49 28.00 59.88 46.25 27.35 2 0 37.68 -999 ? O4 PG5 L 166 >ILE^E 163 59.10 51.94 23.50 60.09 52.61 22.69 59.60 52.28 23.10 3 0 34.92 -999 ? C1 PG5 E 166 >ASP^E 164 53.89 49.83 24.13 53.05 51.63 23.50 53.47 50.73 23.82 2 0 39.81 -999 ? C1 PG5 E 166 >THR^F 2 105.43 -13.46 86.61 104.92 -15.27 85.49 105.18 -14.36 86.05 2 0 50.11 -999 ? C8 PG5 F 166 >GLU^F 3 105.21 -10.93 82.22 103.25 -10.88 81.38 104.23 -10.90 81.80 2 0 49.58 -999 ? C8 PG5 F 166 >ASN^F 4 105.04 -8.35 88.60 105.33 -7.02 90.23 105.18 -7.69 89.41 2 0 43.05 -999 ? C8 PG5 F 166 >LEU^F 5 108.29 -12.32 89.49 108.75 -13.38 91.36 108.52 -12.85 90.42 3 0 44.85 -999 ? C8 PG5 F 166 >TYR^F 6 111.38 -10.69 83.66 113.35 -10.22 81.75 112.37 -10.45 82.70 3 0 43.02 -999 ? C8 PG5 F 166 >PHE^F 7 109.59 -5.69 84.43 109.18 -5.24 81.66 109.38 -5.46 83.04 3 0 41.38 -999 ? C8 PG5 F 166 >GLN^F 8 110.89 -6.58 92.35 111.00 -4.42 91.95 110.95 -5.50 92.15 2 0 36.87 -999 ? C8 PG5 F 166 >GLY^F 9 114.38 -9.48 89.41 114.27 -8.72 89.09 114.32 -9.10 89.25 1 0 38.94 -999 ? C8 PG5 F 166 >MET?F 10 115.99 -7.21 86.82 114.96 -6.72 82.67 115.47 -6.97 84.74 2 0 38.90 -999 ? C8 PG5 F 166 >SER^F 11 115.81 -4.29 89.30 113.75 -3.13 88.95 114.78 -3.71 89.12 2 0 34.85 -999 ? C8 PG5 F 166 >ASP^F 12 116.84 -7.75 92.58 115.12 -7.63 93.81 115.98 -7.69 93.19 2 0 36.16 -999 ? C8 PG5 F 166 >VAL^F 13 120.19 -7.26 89.68 120.54 -8.73 88.12 120.37 -7.99 88.90 3 0 34.69 -999 ? C8 PG5 F 166 >ILE^F 14 119.72 -2.56 88.11 119.23 -1.76 87.10 119.47 -2.16 87.61 3 0 31.06 -999 ? C8 PG5 F 166 >GLU^F 15 118.62 -1.33 92.97 117.23 -0.89 94.48 117.92 -1.11 93.72 2 0 29.63 -999 ? C8 PG5 F 166 >GLY^F 16 122.98 -5.53 93.31 123.13 -4.92 92.77 123.06 -5.22 93.04 1 0 30.25 -999 ? C8 PG5 F 166 >ARG^F 17 124.56 -5.26 87.10 123.16 -6.46 84.63 123.86 -5.86 85.87 2 0 33.77 -999 ? C8 PG5 F 166 >LEU^F 18 124.42 -0.09 92.37 124.48 2.03 92.39 124.45 0.97 92.38 3 0 24.33 -999 ? C8 PG5 F 166 >LYS^F 19 126.26 -2.54 95.71 121.21 -4.28 99.04 123.73 -3.41 97.37 2 0 29.45 -999 ? C8 PG5 F 166 >GLU^F 20 128.26 -6.78 93.37 127.96 -8.09 91.76 128.11 -7.44 92.57 2 0 30.98 -999 ? C8 PG5 F 166 >LEU^F 21 130.11 -0.28 92.09 130.36 -0.54 89.97 130.23 -0.41 91.03 3 0 23.56 -999 ? C8 PG5 F 166 >GLY^F 22 130.27 0.10 96.81 129.64 0.26 96.38 129.95 0.18 96.59 1 0 21.67 -999 ? C8 PG5 F 166 >PHE^F 23 128.29 3.77 94.96 130.68 5.05 94.33 129.48 4.41 94.65 3 0 18.44 -999 ? C8 PG5 F 166 >THR^F 24 123.62 2.08 98.02 123.77 1.92 100.20 123.69 2.00 99.11 2 0 22.90 -999 ? C8 PG5 F 166 >LEU^F 25 119.63 3.72 95.73 119.58 3.30 93.61 119.60 3.51 94.67 3 0 24.87 -999 ? C8 PG5 F 166 >PRO^F 26 120.78 8.53 97.14 120.18 6.67 98.24 120.48 7.60 97.69 3 0 21.14 -999 ? C8 PG5 F 166 >VAL^F 27 116.37 8.04 99.70 115.18 7.92 101.52 115.78 7.98 100.61 3 0 24.79 -999 ? C8 PG5 F 166 >ALA^F 33 109.96 23.14 95.68 111.52 23.04 95.39 110.74 23.09 95.53 2 0 21.60 -999 ? O1 PG5 F 166 >ASN^F 34 108.75 26.44 92.37 107.19 27.23 93.59 107.97 26.84 92.98 2 0 25.49 -999 ? C1 PG5 F 166 >TYR^F 35 113.77 23.32 91.38 115.66 23.61 93.41 114.71 23.47 92.40 3 0 19.37 -999 ? O1 PG5 F 166 >VAL^F 36 111.14 18.98 90.97 109.23 18.83 89.92 110.18 18.90 90.45 3 0 25.52 -999 ? O1 PG5 F 166 >PRO^F 37 112.63 15.18 92.54 113.22 16.65 90.98 112.92 15.91 91.76 3 0 24.17 -999 ? O1 PG5 F 166 >PHE^F 38 111.57 12.60 88.48 109.84 11.26 90.24 110.70 11.93 89.36 3 0 28.87 -999 ? O1 PG5 F 166 >THR^F 39 109.62 15.26 84.90 109.92 17.29 84.25 109.77 16.28 84.58 2 0 29.11 -999 ? O1 PG5 F 166 >ILE^F 40 107.58 11.59 82.77 107.50 10.21 83.09 107.54 10.90 82.93 3 0 34.43 -999 ? O1 PG5 F 166 >SER^F 41 107.13 13.72 78.77 106.83 15.41 77.04 106.98 14.57 77.90 2 0 36.21 -999 ? O1 PG5 F 166 >GLY^F 42 105.99 10.82 76.63 106.38 10.84 77.40 106.18 10.83 77.01 1 0 38.93 -999 ? O1 PG5 F 166 >ASN^F 43 108.66 6.88 76.39 109.40 7.19 74.46 109.03 7.03 75.42 2 0 39.62 -999 ? C8 PG5 F 166 >LEU^F 44 111.79 11.69 77.23 113.01 11.34 75.45 112.40 11.51 76.34 3 0 34.82 -999 ? O1 PG5 F 166 >LEU^F 45 112.64 9.93 82.72 112.67 9.78 84.91 112.66 9.85 83.82 3 0 30.92 -999 ? C8 PG5 F 166 >TYR^F 46 113.72 15.91 80.61 113.83 16.33 77.88 113.78 16.12 79.24 3 0 29.97 -999 ? O1 PG5 F 166 >VAL^F 47 116.27 14.18 85.65 116.96 12.28 86.59 116.62 13.23 86.12 3 0 25.51 -999 ? C8 PG5 F 166 >SER^F 48 117.35 17.42 87.39 115.41 18.52 88.28 116.38 17.97 87.83 2 0 22.42 -999 ? O1 PG5 F 166 >GLY^F 49 121.00 18.22 88.01 120.38 17.97 88.50 120.69 18.09 88.25 1 0 18.99 -999 ? O1 PG5 F 166 >GLN^F 50 120.62 13.93 90.29 119.17 14.63 91.65 119.90 14.28 90.97 2 0 20.44 -999 ? C8 PG5 F 166 >LEU^F 51 124.84 17.79 94.21 124.49 19.89 93.67 124.67 18.84 93.94 3 0 13.41 -999 ? O1 PG5 F 166 >PRO^F 52 129.21 16.04 94.17 127.27 14.93 94.57 128.24 15.48 94.37 3 0 11.40 -999 ? C8 PG5 F 166 >MET?F 53 125.38 13.46 97.82 123.95 16.36 98.16 124.67 14.91 97.99 2 0 13.88 -999 ? C8 PG5 F 166 >GLU^F 54 128.16 8.84 100.48 130.10 8.14 99.98 129.13 8.49 100.23 2 0 14.23 -999 ? C8 PG5 F 166 >SER^F 55 124.47 10.03 103.35 125.88 8.23 104.19 125.17 9.13 103.77 2 0 17.32 -999 ? C8 PG5 F 166 >GLY^F 56 122.65 13.33 102.95 123.41 13.30 102.84 123.03 13.31 102.89 1 0 16.55 -999 ? C8 PG5 F 166 >LYS^F 57 125.75 15.54 102.60 125.06 13.72 107.67 125.41 14.63 105.13 2 0 16.12 -999 ? C8 PG5 F 166 >ILE^F 58 127.84 18.35 99.10 127.29 18.58 97.57 127.57 18.47 98.34 3 0 9.85 -999 ? C8 PG5 F 166 >ALA^F 59 130.74 14.51 99.68 130.58 13.05 99.22 130.66 13.78 99.45 2 0 9.92 -999 ? C8 PG5 F 166 >VAL^F 60 133.10 16.25 97.26 134.16 14.89 95.87 133.63 15.57 96.57 3 0 6.68 -999 ? C8 PG5 F 166 >THR^F 61 133.48 20.00 97.05 132.80 20.43 99.07 133.14 20.21 98.06 2 0 -4.36 -999 ? C8 PG5 F 166s >GLY^F 62 135.74 22.56 95.42 135.33 22.05 94.97 135.53 22.30 95.19 1 0 3.91 -999 ? C7 PG5 F 166 >LEU^F 63 138.04 24.36 91.67 136.97 26.26 91.37 137.51 25.31 91.52 3 0 7.09 -999 ? C5 PG5 F 166 >VAL^F 64 138.98 20.17 90.16 138.13 18.38 89.31 138.55 19.28 89.73 3 0 9.86 -999 ? C8 PG5 F 166 >GLY^F 65 142.62 21.06 89.56 142.24 21.24 90.27 142.43 21.15 89.92 1 0 8.23 -999 ? C7 PG5 H 166 >ARG^F 66 141.74 26.82 93.91 144.04 28.32 95.35 142.89 27.57 94.63 2 0 -3.50 -999 ? C5 PG5 H 166s >ASP^F 67 139.43 22.11 96.03 139.52 24.17 96.26 139.47 23.14 96.15 2 0 -3.54 -999 ? O3 PG5 F 166s >VAL^F 68 140.14 18.07 94.22 138.06 17.42 94.37 139.10 17.75 94.29 3 0 6.13 -999 ? C8 PG5 F 166 >ASP^F 69 143.32 14.92 92.41 142.85 13.23 93.67 143.09 14.07 93.04 2 0 10.88 -999 ? C8 PG5 F 166 >VAL^F 70 140.74 13.59 89.11 141.21 13.32 86.99 140.98 13.46 88.05 3 0 13.11 -999 ? O4 PG5 J 166 >ALA^F 71 140.27 10.48 91.24 141.32 9.72 92.00 140.79 10.10 91.62 2 0 13.72 -999 ? C8 PG5 F 166 >SER^F 72 138.30 12.39 93.84 139.80 12.93 95.65 139.05 12.66 94.75 2 0 8.86 -999 ? C8 PG5 F 166 >ALA^F 73 136.24 14.13 91.11 136.75 15.16 90.08 136.49 14.64 90.59 2 0 10.76 -999 ? C8 PG5 F 166 >GLN^F 74 137.24 10.10 87.78 138.85 8.85 87.16 138.05 9.48 87.47 2 0 16.89 -999 ? O4 PG5 J 166 >ARG^F 75 133.54 7.79 95.43 132.56 5.61 97.42 133.05 6.70 96.42 2 0 15.70 -999 ? C8 PG5 F 166 >ALA^F 76 131.96 12.79 92.85 132.46 14.22 92.68 132.21 13.50 92.76 2 0 10.33 -999 ? C8 PG5 F 166 >ALA^F 77 130.71 11.88 89.36 131.59 11.70 88.15 131.15 11.79 88.75 2 0 15.33 -999 ? C8 PG5 F 166 >GLU^F 78 131.85 6.71 90.41 133.41 5.74 91.40 132.63 6.22 90.90 2 0 17.20 -999 ? C8 PG5 F 166 >LEU^F 79 128.41 10.67 94.60 129.17 9.78 96.48 128.79 10.22 95.54 3 0 13.79 -999 ? C8 PG5 F 166 >CYH^F 80 126.03 12.16 91.01 127.46 14.57 90.77 126.75 13.37 90.89 2 0 14.27 -999 ? C8 PG5 F 166 >ALA^F 81 125.21 9.02 88.95 126.27 8.08 88.24 125.74 8.55 88.60 2 0 19.93 -999 ? C8 PG5 F 166 >VAL^F 82 123.96 7.12 92.00 124.87 6.01 93.67 124.42 6.56 92.84 3 0 19.98 -999 ? C8 PG5 F 166 >ASN^F 83 122.17 11.48 93.29 122.72 11.49 95.36 122.44 11.48 94.32 2 0 17.48 -999 ? C8 PG5 F 166 >ILE^F 84 121.27 10.19 87.89 121.62 10.79 86.62 121.45 10.49 87.26 3 0 22.24 -999 ? C8 PG5 F 166 >LEU^F 85 120.60 5.25 89.68 121.78 4.21 88.10 121.19 4.73 88.89 3 0 24.77 -999 ? C8 PG5 F 166 >ALA^F 86 117.78 7.12 92.86 118.38 7.82 94.09 118.08 7.47 93.47 2 0 23.26 -999 ? C8 PG5 F 166 >GLN^F 87 116.77 11.95 91.28 115.72 12.56 93.02 116.25 12.26 92.15 2 0 23.72 -999 ? C8 PG5 F 166 >VAL^F 88 114.95 7.30 88.16 116.05 6.76 86.35 115.50 7.03 87.26 3 0 28.24 -999 ? C8 PG5 F 166 >LYS^F 89 113.96 4.53 90.60 114.90 0.68 95.58 114.43 2.60 93.09 2 0 30.03 -999 ? C8 PG5 F 166 >ALA^F 90 111.47 6.92 92.25 111.78 8.19 93.05 111.63 7.56 92.65 2 0 28.90 -999 ? C8 PG5 F 166 >ALA^F 91 110.16 8.04 88.81 111.00 8.68 87.71 110.58 8.36 88.26 2 0 30.99 -999 ? C8 PG5 F 166 >LEU^F 92 110.79 3.62 87.20 111.56 4.12 85.20 111.18 3.87 86.20 3 0 33.55 -999 ? C8 PG5 F 166 >ASN^F 93 106.47 3.05 90.68 105.37 4.81 90.22 105.92 3.93 90.45 2 0 36.61 -999 ? C8 PG5 F 166 >GLY^F 94 110.76 1.24 92.39 110.70 1.30 91.60 110.73 1.27 91.99 1 0 33.41 -999 ? C8 PG5 F 166 >ASP^F 95 110.53 -1.07 88.39 110.94 -3.02 87.86 110.74 -2.05 88.13 2 0 37.05 -999 ? C8 PG5 F 166 >LEU^F 96 116.44 0.40 88.08 117.36 2.06 89.21 116.90 1.23 88.65 3 0 29.95 -999 ? C8 PG5 F 166 >SER^F 97 114.29 -2.38 84.90 112.36 -3.74 85.51 113.32 -3.06 85.21 2 0 37.35 -999 ? C8 PG5 F 166 >LYS^F 98 111.81 0.06 83.32 107.57 -1.79 86.04 109.69 -0.86 84.68 2 0 39.37 -999 ? C8 PG5 F 166 >ILE^F 99 116.23 2.20 82.55 117.29 2.93 83.13 116.76 2.57 82.84 3 0 31.80 -999 ? C8 PG5 F 166 >ARG^F 100 111.63 1.28 76.28 108.95 2.73 75.73 110.29 2.01 76.01 2 0 40.88 -999 ? C8 PG5 F 166 >ARG^F 101 120.42 4.24 75.24 121.78 1.68 74.19 121.10 2.96 74.72 2 0 32.45 -999 ? C7 PG5 J 166 >VAL^F 102 120.01 6.34 79.12 121.21 6.48 80.93 120.61 6.41 80.02 3 0 29.12 -999 ? C8 PG5 F 166 >ILE^F 103 118.51 9.64 75.96 118.24 9.18 74.59 118.38 9.41 75.28 3 0 30.97 -999 ? C7 PG5 J 166 >LYS^F 104 122.05 11.73 77.54 123.62 16.64 75.37 122.83 14.18 76.46 2 0 23.63 -999 ? C7 PG5 J 166 >LEU^F 105 125.15 11.97 81.29 124.68 10.23 82.53 124.91 11.10 81.91 3 0 23.33 -999 ? C8 PG5 F 166 >ASN^F 106 124.41 17.64 80.70 123.31 17.56 78.88 123.86 17.60 79.79 2 0 23.38 -999 ? C7 PG5 J 166 >GLY^F 107 128.37 16.44 83.15 128.25 17.11 82.66 128.31 16.77 82.90 1 0 18.92 -999 ? C8 PG5 F 166 >PHE^F 108 126.94 20.65 84.32 124.80 20.82 82.54 125.87 20.74 83.43 3 0 18.78 -999 ? C3 PG5 F 166 >VAL^F 109 132.68 19.79 86.41 134.10 18.16 85.97 133.39 18.98 86.19 3 0 13.83 -999 ? C8 PG5 F 166 >ALA^F 110 133.72 22.76 88.65 133.35 22.96 90.14 133.53 22.86 89.39 2 0 9.25 -999 ? C5 PG5 F 166 >SER^F 111 137.18 23.46 87.15 136.47 21.84 85.40 136.82 22.65 86.28 2 0 11.29 -999 ? C6 PG5 J 166 >VAL^F 112 140.11 25.82 87.25 141.73 25.19 88.61 140.92 25.50 87.93 3 0 9.35 -999 ? C5 PG5 H 166 >PRO^F 113 140.56 29.19 84.59 140.79 27.00 84.43 140.67 28.09 84.51 3 0 8.14 -999 ? C5 PG5 J 166 >GLU^F 114 145.93 26.50 84.22 144.73 28.02 85.03 145.33 27.26 84.62 2 0 6.38 -999 ? C5 PG5 J 166 >PHE^F 115 140.67 20.09 85.55 139.90 17.43 85.50 140.28 18.76 85.52 3 0 9.28 -999 ? C7 PG5 J 166 >VAL^F 116 141.11 20.00 80.94 142.80 20.97 79.93 141.96 20.49 80.44 3 0 4.77 -999 ? C7 PG5 J 166 >GLU^F 117 142.60 15.52 81.88 144.23 14.53 82.86 143.42 15.02 82.37 2 0 8.23 -999 ? O4 PG5 J 166 >GLN^F 118 135.93 19.41 82.70 137.55 20.51 81.86 136.74 19.96 82.28 2 0 9.18 -999 ? C7 PG5 J 166 >HIS^F 119 137.95 13.75 78.68 140.02 14.05 78.63 138.99 13.90 78.66 3 0 11.18 -999 ? C7 PG5 J 166 >LEU^F 120 139.41 11.86 82.97 140.94 11.09 81.64 140.17 11.47 82.30 3 0 12.57 -999 ? O4 PG5 J 166 >VAL^F 121 135.93 13.04 85.56 135.94 14.86 86.78 135.94 13.95 86.17 3 0 14.82 -999 ? C8 PG5 F 166 >ILE^F 122 131.84 13.10 82.90 130.76 13.69 83.66 131.30 13.39 83.28 3 0 17.84 -999 ? C7 PG5 J 166 >ASN^F 123 135.24 8.38 82.55 135.72 8.87 80.50 135.48 8.63 81.52 2 0 17.16 -999 ? C7 PG5 J 166 >GLY^F 124 133.24 7.98 86.74 132.73 8.14 86.10 132.98 8.06 86.42 1 0 18.23 -999 ? C8 PG5 F 166 >ALA^F 125 129.49 8.42 86.10 128.79 9.78 85.89 129.14 9.10 86.00 2 0 19.17 -999 ? C8 PG5 F 166 >SER^F 126 129.50 6.94 82.60 129.81 8.77 81.03 129.65 7.85 81.81 2 0 21.38 -999 ? C7 PG5 J 166 >ASN^F 127 132.83 3.81 84.17 134.26 4.36 82.67 133.54 4.08 83.42 2 0 21.75 -999 ? O4 PG5 J 166 >LEU^F 128 128.92 4.27 87.98 127.45 4.30 89.63 128.19 4.28 88.81 3 0 21.34 -999 ? C8 PG5 F 166 >ILE^F 129 125.42 5.01 84.00 124.11 5.26 84.60 124.76 5.14 84.30 3 0 24.85 -999 ? C8 PG5 F 166 >ALA^F 130 127.06 1.37 81.91 128.18 1.65 80.95 127.62 1.51 81.43 2 0 27.53 -999 ? C7 PG5 J 166 >THR^F 131 128.29 -1.20 84.47 130.12 -1.42 85.64 129.21 -1.31 85.05 2 0 26.82 -999 ? C8 PG5 F 166 >VAL^F 132 125.03 -1.43 86.44 125.00 0.26 87.87 125.02 -0.59 87.16 3 0 27.23 -999 ? C8 PG5 F 166 >LEU^F 133 122.14 0.22 83.00 120.71 1.44 84.08 121.43 0.83 83.54 3 0 29.76 -999 ? C8 PG5 F 166 >GLY^F 134 124.71 -2.83 80.75 124.37 -2.08 80.75 124.54 -2.45 80.75 1 0 32.36 -999 ? C8 PG5 F 166 >GLU^F 135 123.23 -2.16 74.68 124.69 -0.95 73.72 123.96 -1.56 74.20 2 0 32.25 -999 ? C7 PG5 J 166 >PRO^F 136 119.91 -1.84 78.29 121.48 -0.30 77.80 120.70 -1.07 78.04 3 0 34.53 -999 ? C8 PG5 F 166 >GLY^F 137 123.29 2.34 80.14 123.39 2.25 79.36 123.34 2.29 79.75 1 0 29.88 -999 ? C8 PG5 F 166 >ARG^F 138 127.31 0.75 75.51 128.82 1.02 72.83 128.06 0.89 74.17 2 0 28.33 -999 ? C7 PG5 J 166 >HIS^F 139 125.47 7.81 78.89 127.15 7.48 80.12 126.31 7.64 79.50 3 0 24.76 -999 ? C7 PG5 J 166 >ALA^F 140 125.34 10.40 74.65 124.43 11.15 73.73 124.89 10.77 74.19 2 0 25.14 -999 ? C7 PG5 J 166 >ARG^F 141 130.44 12.57 78.27 132.75 10.93 79.59 131.60 11.75 78.93 2 0 17.68 -999 ? C7 PG5 J 166 >ALA^F 142 128.58 16.44 77.22 127.76 17.70 77.04 128.17 17.07 77.13 2 0 19.16 -999 ? C7 PG5 J 166 >ALA^F 143 131.44 17.08 79.70 132.50 15.98 79.86 131.97 16.53 79.78 2 0 15.13 -999 ? C7 PG5 J 166 >VAL^F 144 132.23 20.72 80.44 130.27 21.28 79.61 131.25 21.00 80.03 3 0 15.01 -999 ? C7 PG5 J 166 >GLY^F 145 134.14 22.85 82.91 133.49 23.19 82.52 133.82 23.02 82.71 1 0 12.44 -999 ? C6 PG5 J 166 >MET?F 146 132.18 25.27 85.11 129.85 23.64 83.57 131.01 24.45 84.34 2 0 16.30 -999 ? C5 PG5 F 166 >ALA^F 147 133.34 28.25 87.25 132.82 29.68 87.10 133.08 28.96 87.17 2 0 11.58 -999 ? O2 PG5 F 166 >SER^F 148 131.52 26.78 90.29 130.92 29.13 90.72 131.22 27.95 90.51 2 0 8.73 -999 ? C3 PG5 F 166 >LEU^F 149 128.57 23.39 90.97 128.73 22.35 89.06 128.65 22.87 90.02 3 0 11.43 -999 ? C3 PG5 F 166 >PRO^F 150 124.14 24.64 92.03 126.06 24.84 93.25 125.10 24.74 92.64 3 0 10.47 -999 ? O1 PG5 F 166 >PHE^F 151 124.65 23.22 98.06 121.96 23.77 98.39 123.30 23.50 98.22 3 0 10.14 -999 ? O1 PG5 F 166 >ASN^F 152 131.33 24.43 97.24 133.34 24.93 96.77 132.34 24.68 97.00 2 0 -3.40 -999 ? C5 PG5 F 166s >ALA^F 153 129.81 20.63 94.50 128.51 20.15 93.85 129.16 20.39 94.17 2 0 10.13 -999 ? C7 PG5 F 166 >SER^F 154 132.75 19.53 92.36 134.45 19.04 93.98 133.60 19.28 93.17 2 0 6.24 -999 ? C8 PG5 F 166 >VAL^F 155 130.40 17.88 89.86 131.29 16.05 88.95 130.84 16.97 89.41 3 0 12.34 -999 ? C8 PG5 F 166 >GLU^F 156 124.58 19.56 88.76 123.77 21.54 88.68 124.18 20.55 88.72 2 0 15.32 -999 ? O1 PG5 F 166 >ILE^F 157 125.74 14.34 86.32 126.65 13.33 85.76 126.20 13.84 86.04 3 0 18.53 -999 ? C8 PG5 F 166 >ASP^F 158 120.97 17.13 84.40 121.35 17.87 82.48 121.16 17.50 83.44 2 0 22.77 -999 ? O1 PG5 F 166 >ALA^F 159 120.13 13.10 82.56 120.22 11.76 83.36 120.18 12.43 82.96 2 0 24.91 -999 ? C8 PG5 F 166 >ILE^F 160 117.38 12.88 78.62 116.89 13.77 77.65 117.13 13.32 78.13 3 0 30.08 -999 ? C8 PG5 F 166 >VAL^F 161 116.38 8.56 80.18 116.96 7.50 82.01 116.67 8.03 81.09 3 0 30.17 -999 ? C8 PG5 F 166 >GLU^F 162 113.13 5.73 75.73 113.47 4.77 73.95 113.30 5.25 74.84 2 0 37.56 -999 ? C7 PG5 J 166 >ILE^F 163 111.17 5.33 81.21 111.01 6.50 82.07 111.09 5.92 81.64 3 0 34.75 -999 ? C8 PG5 F 166 >ASP^F 164 109.02 0.55 79.18 109.46 -0.17 81.10 109.24 0.19 80.14 2 0 39.10 -999 ? C8 PG5 F 166 >THR^G 2 69.63 36.43 -7.42 67.93 37.62 -8.20 68.78 37.03 -7.81 2 0 49.97 -999 ? O1 PG5 G 166 >GLU^G 3 67.86 36.89 -1.37 66.58 35.75 -0.11 67.22 36.32 -0.74 2 0 47.32 -999 ? O1 PG5 G 166 >ASN^G 4 72.59 34.33 -2.42 71.35 33.32 -0.98 71.97 33.83 -1.70 2 0 45.50 -999 ? O1 PG5 G 166 >LEU^G 5 73.64 37.40 -6.91 75.14 37.47 -8.47 74.39 37.43 -7.69 3 0 45.49 -999 ? C1 PG5 G 166 >TYR^G 6 70.23 42.32 -3.76 69.39 44.90 -3.12 69.81 43.61 -3.44 3 0 43.63 -999 ? C1 PG5 G 166 >PHE^G 7 71.72 39.60 0.71 69.11 40.08 1.60 70.41 39.84 1.16 3 0 42.03 -999 ? O1 PG5 G 166 >GLN^G 8 78.77 38.20 -3.49 79.22 36.93 -5.17 78.99 37.56 -4.33 2 0 41.22 -999 ? O1 PG5 G 166 >GLY^G 9 76.83 42.65 -4.30 76.70 42.57 -3.48 76.77 42.61 -3.89 1 0 39.54 -999 ? C1 PG5 G 166 >MET?G 10 75.75 44.80 -1.38 71.83 45.10 0.32 73.79 44.95 -0.53 2 0 39.50 -999 ? O1 PG5 G 166 >SER^G 11 78.67 43.38 0.67 77.74 41.58 1.96 78.21 42.48 1.31 2 0 35.53 -999 ? O1 PG5 G 166 >ASP^G 12 80.94 43.75 -3.65 81.45 41.71 -3.99 81.20 42.73 -3.82 2 0 36.88 -999 ? C1 PG5 G 166 >VAL^G 13 79.84 47.79 -2.22 78.14 48.82 -3.09 78.99 48.31 -2.65 3 0 35.11 -999 ? C1 PG5 G 166 >ILE^G 14 79.59 47.29 2.66 78.76 47.03 3.73 79.18 47.16 3.20 3 0 31.63 -999 ? C1 PG5 G 166 >GLU^G 15 83.86 44.44 2.48 84.92 42.61 2.46 84.39 43.52 2.47 2 0 30.15 -999 ? O1 PG5 G 166 >GLY^G 16 84.63 48.78 -1.61 84.35 49.05 -0.87 84.49 48.92 -1.24 1 0 30.65 -999 ? C1 PG5 G 166 >ARG^G 17 79.78 52.41 0.46 76.75 51.87 0.18 78.27 52.14 0.32 2 0 34.04 -999 ? C1 PG5 G 166 >LEU^G 18 85.73 49.87 3.88 86.53 49.80 5.91 86.13 49.84 4.89 3 0 24.75 -999 ? C1 PG5 G 166 >LYS^G 19 88.76 50.65 0.57 89.06 44.91 -2.03 88.91 47.78 -0.73 2 0 30.10 -999 ? C1 PG5 G 166 >GLU^G 20 86.24 53.83 -2.79 84.31 54.33 -3.50 85.27 54.08 -3.15 2 0 31.14 -999 ? C1 PG5 G 166 >LEU^G 21 87.51 55.21 3.83 85.66 56.21 4.19 86.59 55.71 4.01 3 0 23.78 -999 ? C1 PG5 G 166 >GLY^G 22 91.90 53.81 2.75 91.31 53.36 3.06 91.61 53.59 2.90 1 0 21.92 -999 ? C1 PG5 G 166 >PHE^G 23 90.62 52.07 6.81 91.26 54.39 8.23 90.94 53.23 7.52 3 0 18.78 -999 ? C1 PG5 G 166 >THR^G 24 90.99 46.94 4.12 92.93 46.39 3.24 91.96 46.67 3.68 2 0 23.66 -999 ? C1 PG5 G 166 >LEU^G 25 87.95 43.90 6.50 85.90 44.55 6.74 86.92 44.23 6.62 3 0 25.51 -999 ? O1 PG5 G 166 >PRO^G 26 90.99 43.99 10.69 91.27 43.19 8.62 91.13 43.59 9.66 3 0 21.67 -999 ? O1 PG5 G 166 >ALA^G 32 90.59 31.33 22.03 91.27 29.96 22.05 90.93 30.64 22.04 2 0 25.33 -999 ? O4 PG5 G 166 >ALA^G 33 89.31 32.87 25.29 89.67 34.38 25.36 89.49 33.62 25.33 2 0 21.63 -999 ? O4 PG5 G 166 >ASN^G 34 86.80 32.54 29.45 87.62 30.62 29.93 87.21 31.58 29.69 2 0 25.44 -999 ? O4 PG5 G 166 >TYR^G 35 86.97 37.83 26.70 89.57 38.76 26.43 88.27 38.29 26.57 3 0 19.39 -999 ? O4 PG5 G 166 >VAL^G 36 84.48 36.01 22.63 82.79 34.64 22.75 83.64 35.32 22.69 3 0 25.54 -999 ? O4 PG5 G 166 >PRO^G 37 85.36 37.03 18.50 84.72 38.11 20.36 85.04 37.57 19.43 3 0 24.32 -999 ? O4 PG5 G 166 >PHE^G 38 80.83 37.97 17.17 81.43 35.89 15.40 81.13 36.93 16.28 3 0 28.86 -999 ? O4 PG5 G 166 >THR^G 39 77.58 37.12 20.72 77.67 37.41 22.90 77.62 37.26 21.81 2 0 29.02 -999 ? O4 PG5 G 166 >ILE^G 40 74.04 36.37 17.73 73.93 36.30 16.32 73.98 36.34 17.02 3 0 34.37 -999 ? O4 PG5 G 166 >SER^G 41 70.85 37.13 20.85 69.69 37.33 22.98 70.27 37.23 21.91 2 0 36.00 -999 ? O4 PG5 G 166 >GLY^G 42 67.75 37.24 18.67 68.62 37.28 18.48 68.18 37.26 18.58 1 0 38.79 -999 ? O4 PG5 G 166 >ASN^G 43 67.60 40.12 14.88 66.37 41.63 15.68 66.99 40.87 15.28 2 0 39.62 -999 ? O4 PG5 G 166 >LEU^G 44 70.62 42.20 19.42 69.41 44.04 19.48 70.01 43.12 19.45 3 0 34.70 -999 ? O4 PG5 G 166 >LEU^G 45 75.36 41.33 16.17 77.33 40.55 15.45 76.34 40.94 15.81 3 0 31.11 -999 ? O4 PG5 G 166 >TYR^G 46 75.50 42.39 22.53 73.18 43.44 23.59 74.34 42.91 23.06 3 0 29.80 -999 ? O4 PG5 G 166 >VAL^G 47 80.53 43.07 19.47 81.16 43.56 17.42 80.85 43.31 18.44 3 0 25.40 -999 ? O4 PG5 G 166 >SER^G 48 83.26 43.16 22.14 83.63 40.86 22.93 83.45 42.01 22.53 2 0 22.37 -999 ? O4 PG5 G 166 >GLY^G 49 85.35 46.31 22.66 85.49 45.59 22.29 85.42 45.95 22.47 1 0 18.89 -999 ? O4 PG5 G 166 >GLN^G 50 86.21 45.65 17.85 87.01 43.72 18.16 86.61 44.68 18.01 2 0 20.53 -999 ? O4 PG5 G 166 >LEU^G 51 92.26 47.72 20.57 92.18 47.23 22.71 92.22 47.48 21.64 3 0 13.37 -999 ? O4 PG5 G 166 >PRO^G 52 93.58 51.89 18.69 92.65 50.13 17.65 93.12 51.01 18.17 3 0 11.82 -999 ? O1 PG5 G 166 >MET?G 53 94.51 47.29 15.45 95.01 45.53 18.11 94.76 46.41 16.78 2 0 14.33 -999 ? O1 PG5 G 166 >GLU^G 54 96.75 49.40 10.35 96.87 51.43 9.84 96.81 50.41 10.10 2 0 14.51 -999 ? C1 PG5 G 166 >SER^G 55 98.53 44.98 10.69 99.41 46.23 8.80 98.97 45.61 9.75 2 0 17.57 -999 ? C1 PG5 G 166 >GLY^G 56 98.21 43.03 13.94 98.37 43.79 13.95 98.29 43.41 13.95 1 0 16.89 -999 ? O1 PG5 G 166 >LYS^G 57 99.47 45.83 16.23 103.05 45.47 12.29 101.26 45.65 14.26 2 0 15.39 -999 ? O1 PG5 G 166 >ILE^G 58 97.77 48.72 19.86 96.29 48.73 20.32 97.03 48.73 20.09 3 0 10.16 -999 ? O1 PG5 G 166 >ALA^G 59 98.36 51.55 15.97 97.53 51.72 14.73 97.95 51.63 15.35 2 0 10.50 -999 ? O1 PG5 G 166 >VAL^G 60 97.64 54.49 18.34 96.50 56.11 17.37 97.07 55.30 17.85 3 0 7.16 -999 ? C1 PG5 G 166 >THR^G 61 98.57 54.47 22.00 100.22 53.09 21.81 99.40 53.78 21.91 2 0 -4.55 -999 ? O1 PG5 G 166s >GLY^G 62 98.59 56.87 24.91 97.86 56.71 24.57 98.23 56.79 24.74 1 0 4.26 -999 ? C3 PG5 G 166 >LEU^G 63 96.49 60.16 27.71 96.39 59.06 29.58 96.44 59.61 28.65 3 0 7.29 -999 ? C4 PG5 G 166 >VAL^G 64 94.50 61.97 24.05 92.92 61.66 22.58 93.71 61.82 23.31 3 0 9.89 -999 ? C1 PG5 G 166 >GLY^G 65 95.57 65.51 25.08 96.09 64.88 25.05 95.83 65.20 25.06 1 0 8.39 -999 ? C5 PG5 I 166 >ARG^G 66 100.56 62.49 29.40 103.00 64.01 30.54 101.78 63.25 29.97 2 0 -3.60 -999 ? C5 PG5 I 166s >ASP^G 67 100.43 60.12 24.29 101.14 59.86 26.25 100.78 59.99 25.27 2 0 -3.51 -999 ? O2 PG5 G 166s >VAL^G 68 98.12 61.96 20.90 97.27 59.93 21.01 97.70 60.95 20.95 3 0 5.75 -999 ? C1 PG5 G 166 >ASP^G 69 96.76 65.80 18.36 97.25 65.06 16.39 97.01 65.43 17.38 2 0 10.15 -999 ? C1 PG5 G 166 >VAL^G 70 92.52 64.71 18.04 90.72 65.95 18.31 91.62 65.33 18.17 3 0 13.34 -999 ? O4 PG5 E 166 >ALA^G 71 93.46 63.83 14.43 94.33 64.66 13.49 93.89 64.24 13.96 2 0 13.23 -999 ? C1 PG5 G 166 >SER^G 72 95.55 60.85 15.54 97.85 61.42 15.64 96.70 61.13 15.59 2 0 8.20 -999 ? C1 PG5 G 166 >ALA^G 73 92.82 59.71 17.94 92.38 60.46 19.16 92.60 60.09 18.55 2 0 10.78 -999 ? C1 PG5 G 166 >GLN^G 74 89.12 62.33 14.94 88.97 64.21 13.98 89.05 63.27 14.46 2 0 16.72 -999 ? C1 PG5 G 166 >ARG^G 75 93.81 55.92 11.07 94.76 57.80 8.84 94.28 56.86 9.96 2 0 14.82 -999 ? C1 PG5 G 166 >ALA^G 76 92.39 55.28 16.18 92.82 55.62 17.63 92.61 55.45 16.90 2 0 10.74 -999 ? O1 PG5 G 166 >ALA^G 77 88.59 55.45 16.24 87.74 56.65 16.54 88.17 56.05 16.39 2 0 15.73 -999 ? O1 PG5 G 166 >GLU^G 78 88.65 56.76 11.05 89.81 58.00 9.78 89.23 57.38 10.42 2 0 17.30 -999 ? C1 PG5 G 166 >LEU^G 79 92.11 51.58 13.68 93.82 51.74 12.29 92.97 51.66 12.99 3 0 14.33 -999 ? C1 PG5 G 166 >CYH^G 80 88.39 50.49 16.05 89.32 51.71 18.41 88.85 51.10 17.23 2 0 14.63 -999 ? O1 PG5 G 166 >ALA^G 81 85.44 50.86 13.62 85.03 52.18 12.94 85.23 51.52 13.28 2 0 20.32 -999 ? O1 PG5 G 166 >VAL^G 82 87.29 48.79 10.96 88.85 49.17 9.45 88.07 48.98 10.21 3 0 20.43 -999 ? O1 PG5 G 166 >ASN^G 83 88.82 46.15 14.75 90.85 46.00 14.10 89.83 46.07 14.43 2 0 17.98 -999 ? O1 PG5 G 166 >ILE^G 84 83.31 47.42 15.01 82.46 48.19 15.91 82.88 47.80 15.46 3 0 22.64 -999 ? O1 PG5 G 166 >LEU^G 85 83.46 46.68 9.76 82.16 48.39 9.23 82.81 47.54 9.50 3 0 25.26 -999 ? O1 PG5 G 166 >ALA^G 86 85.62 42.66 10.61 87.15 42.68 10.88 86.38 42.67 10.74 2 0 23.88 -999 ? O1 PG5 G 166 >GLN^G 87 85.25 41.78 15.67 86.41 40.00 15.89 85.83 40.89 15.78 2 0 23.87 -999 ? O4 PG5 G 166 >VAL^G 88 80.46 41.76 12.15 79.08 43.47 12.20 79.77 42.61 12.18 3 0 28.68 -999 ? O1 PG5 G 166 >LYS^G 89 81.51 40.27 8.79 85.19 40.00 3.63 83.35 40.14 6.21 2 0 30.61 -999 ? O1 PG5 G 166 >ALA^G 90 82.69 37.09 10.62 83.77 37.05 11.70 83.23 37.07 11.16 2 0 29.33 -999 ? O1 PG5 G 166 >ALA^G 91 79.45 36.95 12.64 78.94 38.08 13.54 79.20 37.51 13.09 2 0 31.27 -999 ? O4 PG5 G 166 >LEU^G 92 77.12 38.65 8.85 75.81 39.97 9.96 76.46 39.31 9.41 3 0 33.96 -999 ? O1 PG5 G 166 >ASN^G 93 78.48 33.48 7.30 78.21 32.43 9.12 78.35 32.96 8.21 2 0 36.86 -999 ? O4 PG5 G 166 >GLY^G 94 80.97 37.11 5.09 80.28 37.33 5.37 80.63 37.22 5.23 1 0 33.97 -999 ? O1 PG5 G 166 >ASP^G 95 76.79 38.90 3.83 77.10 38.19 1.88 76.95 38.55 2.85 2 0 37.59 -999 ? O1 PG5 G 166 >LEU^G 96 79.21 44.08 5.67 80.97 44.24 6.95 80.09 44.16 6.31 3 0 30.33 -999 ? O1 PG5 G 166 >SER^G 97 74.85 43.56 3.76 74.60 41.70 2.25 74.72 42.63 3.01 2 0 37.56 -999 ? O1 PG5 G 166 >LYS^G 98 73.03 41.51 6.44 71.85 36.91 4.16 72.44 39.21 5.30 2 0 40.84 -999 ? O1 PG5 G 166 >ILE^G 99 74.67 45.57 8.85 75.74 46.32 9.50 75.20 45.94 9.18 3 0 32.17 -999 ? O1 PG5 G 166 >ARG^G 100 67.53 43.13 10.28 65.01 44.03 8.76 66.27 43.58 9.52 2 0 41.83 -999 ? O1 PG5 G 166 >ARG^G 101 68.98 51.65 12.16 69.15 54.28 10.61 69.07 52.97 11.38 2 0 32.34 -999 ? O4 PG5 E 166 >VAL^G 102 74.05 49.78 13.80 76.18 50.16 13.45 75.12 49.97 13.62 3 0 29.47 -999 ? O1 PG5 G 166 >ILE^G 103 71.44 49.22 17.78 70.01 49.57 17.72 70.73 49.39 17.75 3 0 31.18 -999 ? O4 PG5 E 166 >LYS^G 104 74.76 51.72 19.29 74.77 53.41 24.52 74.76 52.56 21.90 2 0 23.83 -999 ? O4 PG5 E 166 >LEU^G 105 79.33 53.16 18.48 79.75 52.46 16.49 79.54 52.81 17.48 3 0 23.71 -999 ? O1 PG5 G 166 >ASN^G 106 80.03 52.14 24.13 77.98 51.75 24.58 79.00 51.94 24.36 2 0 23.54 -999 ? O4 PG5 E 166 >GLY^G 107 83.31 55.05 22.30 83.02 55.01 23.10 83.16 55.03 22.70 1 0 19.15 -999 ? O1 PG5 G 166 >PHE^G 108 84.92 52.83 26.03 82.60 51.40 26.56 83.76 52.11 26.29 3 0 18.64 -999 ? O4 PG5 G 166 >VAL^G 109 88.71 57.53 24.68 88.42 59.19 23.28 88.56 58.36 23.98 3 0 13.93 -999 ? O1 PG5 G 166 >ALA^G 110 91.81 57.41 26.91 93.04 56.47 26.75 92.42 56.94 26.83 2 0 9.45 -999 ? C4 PG5 G 166 >SER^G 111 91.93 61.04 28.05 89.74 61.13 26.94 90.84 61.08 27.49 2 0 11.29 -999 ? C7 PG5 E 166 >VAL^G 112 93.77 63.47 30.25 95.48 64.55 29.33 94.63 64.01 29.79 3 0 9.49 -999 ? C5 PG5 I 166 >PRO^G 113 92.40 64.43 34.24 91.82 64.99 32.17 92.11 64.71 33.20 3 0 8.20 -999 ? C7 PG5 E 166 >GLU^G 114 93.33 69.91 31.73 94.01 68.35 33.00 93.67 69.13 32.36 2 0 -6.36 -999 ? O3 PG5 E 166s >PHE^G 115 90.97 65.29 25.18 89.97 64.80 22.66 90.47 65.04 23.92 3 0 9.10 -999 ? O4 PG5 E 166 >VAL^G 116 87.06 67.28 26.39 86.99 69.14 27.59 87.03 68.21 26.99 3 0 4.85 -999 ? O4 PG5 E 166 >GLU^G 117 87.35 68.82 21.91 88.46 69.98 20.53 87.90 69.40 21.22 2 0 8.80 -999 ? C8 PG5 E 166 >GLN^G 118 86.53 61.95 25.32 86.57 63.66 26.65 86.55 62.81 25.98 2 0 9.17 -999 ? O4 PG5 E 166 >HIS^G 119 82.29 65.88 20.89 83.10 67.79 21.16 82.69 66.84 21.02 3 0 11.43 -999 ? O4 PG5 E 166 >LEU^G 120 86.21 65.82 17.99 85.41 67.83 17.66 85.81 66.82 17.82 3 0 12.89 -999 ? O4 PG5 E 166 >VAL^G 121 87.48 61.53 18.41 89.01 60.93 19.86 88.24 61.23 19.13 3 0 14.91 -999 ? O4 PG5 E 166 >ILE^G 122 83.52 58.74 19.23 83.93 57.41 19.59 83.72 58.07 19.41 3 0 17.89 -999 ? O4 PG5 E 166 >ASN^G 123 83.32 62.49 14.74 81.82 63.64 15.78 82.57 63.06 15.26 2 0 17.31 -999 ? O4 PG5 E 166 >GLY^G 124 86.19 59.14 13.26 85.47 58.89 13.58 85.83 59.01 13.42 1 0 18.39 -999 ? C1 PG5 G 166 >ALA^G 125 84.36 55.85 13.85 84.18 55.15 15.22 84.27 55.50 14.53 2 0 19.61 -999 ? O1 PG5 G 166 >SER^G 126 80.83 57.27 13.38 80.06 57.92 15.59 80.45 57.60 14.49 2 0 21.51 -999 ? O4 PG5 E 166 >ASN^G 127 82.68 60.11 9.88 82.08 61.95 10.83 82.38 61.03 10.35 2 0 22.03 -999 ? O4 PG5 E 166 >LEU^G 128 84.67 55.24 9.29 85.63 53.32 8.85 85.15 54.28 9.07 3 0 21.73 -999 ? C1 PG5 G 166 >ILE^G 129 80.05 53.23 11.12 80.23 51.88 11.11 80.14 52.55 11.12 3 0 25.30 -999 ? O1 PG5 G 166 >ALA^G 130 77.86 55.93 8.26 77.53 57.31 8.76 77.69 56.62 8.51 2 0 27.62 -999 ? O4 PG5 E 166 >THR^G 131 79.86 56.34 5.03 81.45 57.70 4.43 80.66 57.02 4.73 2 0 27.15 -999 ? C1 PG5 G 166 >VAL^G 132 80.39 52.63 4.31 82.04 51.88 5.54 81.21 52.26 4.92 3 0 27.64 -999 ? C1 PG5 G 166 >LEU^G 133 76.66 50.92 6.83 77.49 49.07 7.72 77.08 50.00 7.28 3 0 30.27 -999 ? O1 PG5 G 166 >GLY^G 134 74.81 54.49 4.53 74.89 54.12 5.25 74.85 54.31 4.89 1 0 32.74 -999 ? C1 PG5 G 166 >GLU^G 135 69.05 55.51 6.89 69.24 57.14 8.24 69.14 56.32 7.57 2 0 32.28 -999 ? O4 PG5 E 166 >PRO^G 136 71.15 50.93 6.19 71.65 52.40 7.79 71.40 51.66 6.99 3 0 34.81 -999 ? O4 PG5 E 166 >GLY^G 137 75.07 52.83 9.66 74.41 53.24 9.77 74.74 53.04 9.71 1 0 30.39 -999 ? O1 PG5 G 166 >ARG^G 138 72.26 58.52 9.24 70.55 60.81 10.37 71.41 59.67 9.80 2 0 28.46 -999 ? O4 PG5 E 166 >HIS^G 139 76.25 54.81 15.11 77.89 55.97 14.51 77.07 55.39 14.81 3 0 24.97 -999 ? O4 PG5 E 166 >ALA^G 140 73.09 55.93 18.80 72.08 55.39 19.80 72.58 55.66 19.30 2 0 25.40 -999 ? O4 PG5 E 166 >ARG^G 141 79.03 58.35 18.65 80.39 61.01 18.10 79.71 59.68 18.37 2 0 17.79 -999 ? O4 PG5 E 166 >ALA^G 142 78.11 57.36 23.94 77.93 56.56 25.20 78.02 56.96 24.57 2 0 19.39 -999 ? O4 PG5 E 166 >ALA^G 143 81.56 59.07 23.92 81.78 60.09 22.80 81.67 59.58 23.36 2 0 15.33 -999 ? O4 PG5 E 166 >VAL^G 144 83.42 59.19 27.22 82.06 57.63 27.97 82.74 58.41 27.60 3 0 15.11 -999 ? O4 PG5 E 166 >GLY^G 145 86.92 59.80 28.60 86.39 59.34 29.04 86.65 59.57 28.82 1 0 12.40 -999 ? C7 PG5 E 166 >MET?G 146 88.73 57.00 30.34 86.07 55.52 29.12 87.40 56.26 29.73 2 0 16.18 -999 ? C7 PG5 G 166 >ALA^G 147 91.79 57.01 32.60 91.82 56.42 34.02 91.81 56.72 33.31 2 0 11.48 -999 ? C7 PG5 G 166 >SER^G 148 93.46 54.35 30.38 94.24 53.35 32.44 93.85 53.85 31.41 2 0 8.15 -999 ? C7 PG5 G 166 >LEU^G 149 92.17 51.76 26.86 90.20 52.74 26.48 91.18 52.25 26.67 3 0 11.32 -999 ? O4 PG5 G 166 >PRO^G 150 91.82 47.03 27.90 93.63 48.36 27.72 92.72 47.70 27.81 3 0 10.29 -999 ? O4 PG5 G 166 >PHE^G 151 96.91 45.50 24.81 96.30 42.82 25.27 96.60 44.16 25.04 3 0 10.31 -999 ? O4 PG5 G 166 >ASN^G 152 99.05 51.88 26.25 99.44 53.94 26.75 99.25 52.91 26.50 2 0 -3.61 -999 ? C4 PG5 G 166s >ALA^G 153 95.08 51.87 23.34 93.94 50.92 23.00 94.51 51.39 23.17 2 0 10.44 -999 ? O1 PG5 G 166 >SER^G 154 93.96 55.49 22.80 95.94 56.56 21.87 94.95 56.02 22.33 2 0 6.44 -999 ? O1 PG5 G 166 >VAL^G 155 90.42 54.40 21.88 89.46 55.74 20.41 89.94 55.07 21.15 3 0 12.63 -999 ? O1 PG5 G 166 >GLU^G 156 87.69 49.19 23.80 87.84 48.30 25.74 87.76 48.74 24.77 2 0 15.13 -999 ? O4 PG5 G 166 >ILE^G 157 84.64 51.65 19.40 84.24 52.80 18.54 84.44 52.23 18.97 3 0 18.86 -999 ? O1 PG5 G 166 >ASP^G 158 81.86 47.60 22.59 80.47 48.64 23.87 81.17 48.12 23.23 2 0 22.56 -999 ? O4 PG5 G 166 >ALA^G 159 78.82 47.94 19.35 79.23 47.90 17.89 79.03 47.92 18.62 2 0 25.27 -999 ? O1 PG5 G 166 >ILE^G 160 74.28 46.89 20.21 73.51 46.71 21.34 73.90 46.80 20.78 3 0 29.94 -999 ? O4 PG5 G 166 >VAL^G 161 74.14 45.77 15.63 75.75 45.75 14.11 74.95 45.76 14.87 3 0 30.58 -999 ? O1 PG5 G 166 >GLU^G 162 68.14 44.61 14.07 66.46 45.80 13.58 67.30 45.20 13.82 2 0 37.85 -999 ? O4 PG5 E 166 >ILE^G 163 72.40 40.84 12.20 73.42 40.26 13.09 72.91 40.55 12.65 3 0 35.12 -999 ? O1 PG5 G 166 >GLU^H 3 175.15 52.21 128.52 173.12 52.90 128.77 174.13 52.56 128.65 2 0 48.49 -999 ? C2 PG5 H 166 >ASN^H 4 176.62 45.31 128.54 178.29 46.52 127.97 177.46 45.92 128.25 2 0 48.11 -999 ? C2 PG5 H 166 >LEU^H 5 173.09 44.90 132.49 172.56 43.32 133.88 172.82 44.11 133.18 3 0 46.72 -999 ? O1 PG5 H 166 >TYR^H 6 169.84 49.91 129.22 167.74 51.51 128.31 168.79 50.71 128.77 3 0 44.79 -999 ? O1 PG5 H 166 >PHE^H 7 171.40 47.76 124.58 171.57 50.35 123.49 171.49 49.05 124.03 3 0 42.66 -999 ? C2 PG5 H 166 >GLN^H 8 170.48 40.57 128.78 171.74 39.67 130.29 171.11 40.12 129.54 2 0 42.39 -999 ? O1 PG5 H 166 >GLY^H 9 166.98 43.98 129.73 167.09 44.10 128.91 167.03 44.04 129.32 1 0 40.87 -999 ? O1 PG5 H 166 >MET?H 10 165.34 45.86 126.85 166.42 49.75 125.15 165.88 47.80 126.00 2 0 40.77 -999 ? C1 PG5 H 166 >SER^H 11 165.47 42.61 124.77 167.49 42.59 123.51 166.48 42.60 124.14 2 0 36.52 -999 ? C2 PG5 H 166 >ASP^H 12 164.45 40.54 129.05 166.26 39.49 129.36 165.36 40.02 129.21 2 0 38.29 -999 ? O1 PG5 H 166 >VAL^H 13 161.13 43.08 127.72 160.88 45.06 128.61 161.01 44.07 128.17 3 0 36.69 -999 ? C1 PG5 H 166 >ILE^H 14 161.54 43.31 122.85 162.09 43.96 121.75 161.82 43.63 122.30 3 0 32.98 -999 ? O1 PG5 H 166 >GLU^H 15 162.54 38.24 122.94 163.96 36.72 122.95 163.25 37.48 122.94 2 0 31.36 -999 ? O1 PG5 H 166 >GLY^H 16 158.31 39.02 127.09 158.19 39.39 126.38 158.25 39.20 126.73 1 0 32.27 -999 ? C1 PG5 H 166 >ARG^H 17 156.66 45.02 125.22 158.20 47.69 125.60 157.43 46.35 125.41 2 0 35.64 -999 ? C1 PG5 H 166 >LEU^H 18 156.95 38.46 121.66 156.78 37.88 119.55 156.86 38.17 120.61 3 0 26.34 -999 ? C1 PG5 H 166 >LYS^H 19 155.10 35.90 124.87 160.33 33.44 127.41 157.72 34.67 126.14 2 0 31.53 -999 ? O1 PG5 H 166 >GLU^H 20 153.01 39.34 128.35 153.43 41.31 129.02 153.22 40.33 128.69 2 0 32.89 -999 ? C1 PG5 H 166 >LEU^H 21 151.22 38.80 121.68 150.94 40.92 121.37 151.08 39.86 121.53 3 0 25.42 -999 ? C1 PG5 H 166 >GLY^H 22 151.00 34.17 122.74 151.61 34.55 122.42 151.31 34.36 122.58 1 0 23.78 -999 ? C1 PG5 H 166 >PHE^H 23 153.02 34.85 118.67 150.65 35.19 117.26 151.83 35.02 117.97 3 0 20.48 -999 ? C1 PG5 H 166 >THR^H 24 157.67 32.49 121.22 157.43 30.49 122.01 157.55 31.49 121.61 2 0 24.87 -999 ? O1 PG5 H 166 >LEU^H 25 161.62 34.24 118.92 161.66 36.39 118.59 161.64 35.31 118.76 3 0 26.57 -999 ? O1 PG5 H 166 >PRO^H 26 160.43 31.50 114.70 161.16 30.96 116.77 160.79 31.23 115.74 3 0 22.69 -999 ? O1 PG5 H 166 >VAL^H 27 165.03 29.52 115.53 165.35 27.35 115.47 165.19 28.44 115.50 3 0 25.36 -999 ? C2 PG5 H 166 >ALA^H 33 171.38 29.02 100.11 169.82 29.15 100.02 170.60 29.09 100.07 2 0 21.60 -999 ? O4 PG5 H 166 >ASN^H 34 172.41 31.38 96.00 173.93 29.94 95.58 173.17 30.66 95.79 2 0 25.25 -999 ? C8 PG5 H 166 >TYR^H 35 167.43 33.10 98.83 165.60 31.01 99.10 166.52 32.06 98.96 3 0 19.40 -999 ? O4 PG5 H 166 >VAL^H 36 170.04 34.77 102.82 171.98 35.84 102.70 171.01 35.30 102.76 3 0 25.62 -999 ? O4 PG5 H 166 >PRO^H 37 168.56 34.17 106.88 167.99 35.38 105.09 168.28 34.78 105.98 3 0 24.32 -999 ? O4 PG5 H 166 >PHE^H 38 169.57 38.85 108.33 171.30 37.53 110.07 170.43 38.19 109.20 3 0 29.05 -999 ? O4 PG5 H 166 >THR^H 39 171.50 41.61 104.77 171.25 41.60 102.64 171.38 41.60 103.70 2 0 29.22 -999 ? O4 PG5 H 166 >ILE^H 40 173.61 44.60 107.74 173.66 44.76 109.20 173.63 44.68 108.47 3 0 34.67 -999 ? O4 PG5 H 166 >SER^H 41 174.05 47.86 104.56 174.32 49.19 102.54 174.18 48.52 103.55 2 0 36.44 -999 ? O4 PG5 H 166 >GLY^H 42 175.14 50.66 106.84 174.77 49.93 107.01 174.95 50.29 106.93 1 0 39.07 -999 ? O4 PG5 H 166 >ASN^H 43 172.44 51.97 110.59 171.60 53.74 109.76 172.02 52.86 110.17 2 0 39.73 -999 ? O1 PG5 B 166 >LEU^H 44 169.35 49.92 106.22 168.04 51.70 106.21 168.69 50.81 106.21 3 0 34.89 -999 ? C6 PG5 H 166 >LEU^H 45 168.52 45.12 109.36 168.45 43.06 110.09 168.48 44.09 109.73 3 0 31.45 -999 ? O4 PG5 H 166 >TYR^H 46 167.36 45.56 102.96 167.17 48.10 101.87 167.27 46.83 102.42 3 0 30.08 -999 ? C6 PG5 H 166 >VAL^H 47 164.94 41.03 106.06 164.21 40.60 108.09 164.58 40.82 107.07 3 0 25.75 -999 ? O4 PG5 H 166 >SER^H 48 163.83 38.51 103.39 165.80 37.39 102.57 164.81 37.95 102.98 2 0 22.59 -999 ? O4 PG5 H 166 >GLY^H 49 160.15 37.77 102.85 160.78 37.33 103.22 160.47 37.55 103.04 1 0 19.22 -999 ? C6 PG5 H 166 >GLN^H 50 160.55 36.67 107.57 162.05 35.21 107.26 161.30 35.94 107.42 2 0 20.85 -999 ? O4 PG5 H 166 >LEU^H 51 156.37 31.83 104.84 156.68 31.74 102.65 156.53 31.79 103.74 3 0 13.68 -999 ? O4 PG5 H 166 >PRO^H 52 152.07 31.95 106.71 154.01 32.30 107.78 153.04 32.13 107.24 3 0 12.53 -999 ? C2 PG5 H 166 >MET?H 53 155.93 29.47 109.92 157.35 28.25 107.34 156.64 28.86 108.63 2 0 14.48 -999 ? C2 PG5 H 166 >GLU^H 54 153.22 28.16 115.06 151.19 28.51 115.56 152.21 28.34 115.31 2 0 15.91 -999 ? O1 PG5 H 166 >SER^H 55 156.68 24.72 114.55 154.85 24.42 116.14 155.76 24.57 115.34 2 0 17.95 -999 ? O1 PG5 H 166 >GLY^H 56 158.57 24.45 111.26 157.81 24.55 111.30 158.19 24.50 111.28 1 0 17.34 -999 ? O1 PG5 H 166 >LYS^H 57 155.38 24.34 109.12 154.08 18.79 111.70 154.73 21.57 110.41 2 0 15.35 -999 ? O1 PG5 H 166 >ILE^H 58 153.37 26.95 105.50 153.94 28.32 105.10 153.65 27.63 105.30 3 0 10.23 -999 ? C2 PG5 H 166 >ALA^H 59 150.58 27.50 109.41 150.81 28.32 110.66 150.70 27.91 110.04 2 0 11.66 -999 ? O1 PG5 H 166 >VAL^H 60 148.09 29.28 107.17 147.01 30.94 108.12 147.55 30.11 107.65 3 0 8.48 -999 ? C1 PG5 H 166 >THR^H 61 147.69 28.46 103.50 148.39 26.41 103.63 148.04 27.44 103.56 2 0 4.74 -999 ? C2 PG5 H 166 >GLY^H 62 145.48 29.37 100.58 145.87 29.99 100.97 145.67 29.68 100.78 1 0 4.16 -999 ? C2 PG5 H 166 >LEU^H 63 143.14 32.53 97.90 144.20 32.36 96.00 143.67 32.44 96.95 3 0 7.32 -999 ? O2 PG5 H 166 >VAL^H 64 142.21 35.08 101.54 143.10 36.39 103.04 142.66 35.73 102.29 3 0 9.98 -999 ? C1 PG5 H 166 >GLY^H 65 138.54 35.39 100.54 138.93 34.68 100.56 138.74 35.04 100.55 1 0 8.23 -999 ? O2 PG5 F 166 >ARG^H 66 139.40 29.70 96.18 137.18 27.85 95.07 138.29 28.78 95.63 2 0 -3.73 -999 ? O2 PG5 F 166s >ASP^H 67 141.76 28.89 101.23 141.70 28.16 99.28 141.73 28.52 100.25 2 0 -3.64 -999 ? C3 PG5 H 166s >VAL^H 68 140.97 31.70 104.65 143.13 31.72 104.52 142.05 31.71 104.59 3 0 6.55 -999 ? C1 PG5 H 166 >ASP^H 69 137.90 34.35 107.24 138.35 33.58 109.19 138.12 33.97 108.21 2 0 11.57 -999 ? C1 PG5 H 166 >VAL^H 70 140.45 37.85 107.63 139.97 39.97 107.37 140.21 38.91 107.50 3 0 13.28 -999 ? O1 PG5 B 166 >ALA^H 71 140.97 36.63 111.21 139.89 36.11 112.18 140.43 36.37 111.70 2 0 14.83 -999 ? C1 PG5 H 166 >SER^H 72 142.95 33.60 110.06 141.50 31.68 109.97 142.23 32.64 110.02 2 0 10.03 -999 ? C1 PG5 H 166 >ALA^H 73 144.98 35.76 107.66 144.42 36.44 106.43 144.70 36.10 107.05 2 0 11.65 -999 ? C1 PG5 H 166 >GLN^H 74 144.00 40.04 110.66 142.39 40.97 111.74 143.20 40.51 111.20 2 0 16.97 -999 ? O1 PG5 B 166 >ARG^H 75 147.78 33.34 114.91 148.61 31.81 117.48 148.19 32.58 116.20 2 0 17.56 -999 ? C1 PG5 H 166 >ALA^H 76 149.29 34.44 109.35 148.79 34.21 107.89 149.04 34.32 108.62 2 0 11.84 -999 ? C1 PG5 H 166 >ALA^H 77 150.50 38.06 109.31 149.64 39.30 109.09 150.07 38.68 109.20 2 0 16.68 -999 ? C1 PG5 H 166 >GLU^H 78 149.38 38.41 114.51 147.91 37.79 115.92 148.65 38.10 115.22 2 0 19.06 -999 ? C1 PG5 H 166 >LEU^H 79 152.89 33.30 111.88 152.09 31.78 113.21 152.49 32.54 112.55 3 0 15.66 -999 ? O1 PG5 H 166 >CYH^H 80 155.26 36.39 109.46 153.73 36.01 107.11 154.50 36.20 108.29 2 0 15.36 -999 ? C2 PG5 H 166 >ALA^H 81 156.01 39.27 111.93 154.96 40.15 112.64 155.48 39.71 112.29 2 0 21.55 -999 ? C1 PG5 H 166 >VAL^H 82 157.28 36.78 114.54 156.38 35.41 116.01 156.83 36.10 115.27 3 0 21.69 -999 ? O1 PG5 H 166 >ASN^H 83 159.04 34.41 110.72 158.50 32.42 111.32 158.77 33.41 111.02 2 0 18.72 -999 ? C2 PG5 H 166 >ILE^H 84 159.97 39.93 110.49 159.59 41.02 109.60 159.78 40.48 110.05 3 0 23.28 -999 ? C2 PG5 H 166 >LEU^H 85 160.59 39.49 115.76 159.51 41.34 116.32 160.05 40.42 116.04 3 0 26.39 -999 ? C2 PG5 H 166 >ALA^H 86 163.47 36.04 114.84 162.87 34.61 114.54 163.17 35.32 114.69 2 0 24.58 -999 ? C2 PG5 H 166 >GLN^H 87 164.48 36.18 109.76 165.53 34.34 109.60 165.01 35.26 109.68 2 0 23.99 -999 ? O4 PG5 H 166 >VAL^H 88 166.26 40.53 113.34 165.21 42.43 113.32 165.73 41.48 113.33 3 0 29.31 -999 ? C2 PG5 H 166 >LYS^H 89 167.28 38.94 116.64 166.15 35.58 121.79 166.71 37.26 119.21 2 0 31.66 -999 ? O1 PG5 H 166 >ALA^H 90 169.76 36.72 114.79 169.41 35.70 113.70 169.58 36.21 114.24 2 0 29.65 -999 ? O4 PG5 H 166 >ALA^H 91 171.12 39.70 112.81 170.29 40.57 111.86 170.71 40.14 112.33 2 0 31.53 -999 ? O4 PG5 H 166 >LEU^H 92 170.49 42.54 116.59 169.70 44.22 115.45 170.10 43.38 116.02 3 0 34.66 -999 ? C2 PG5 H 166 >ASN^H 93 174.80 39.29 118.10 175.83 39.46 116.26 175.31 39.38 117.18 2 0 37.18 -999 ? O4 PG5 H 166 >GLY^H 94 170.54 38.31 120.36 170.54 39.03 120.06 170.54 38.67 120.21 1 0 34.89 -999 ? C2 PG5 H 166 >ASP^H 95 170.42 42.86 121.57 171.16 42.23 123.43 170.79 42.55 122.50 2 0 38.70 -999 ? C2 PG5 H 166 >LEU^H 96 164.67 42.46 119.90 163.76 40.90 118.66 164.21 41.68 119.28 3 0 31.46 -999 ? C2 PG5 H 166 >SER^H 97 166.88 46.23 121.75 168.72 45.57 123.24 167.80 45.90 122.49 2 0 38.61 -999 ? C2 PG5 H 166 >LYS^H 98 169.28 47.27 119.00 174.34 44.42 121.33 171.81 45.85 120.16 2 0 40.78 -999 ? C2 PG5 H 166 >ILE^H 99 164.93 47.36 116.69 163.91 46.61 116.13 164.42 46.98 116.41 3 0 33.20 -999 ? C2 PG5 H 166 >ARG^H 100 169.80 53.03 115.38 169.91 55.72 116.92 169.85 54.38 116.15 2 0 41.54 -999 ? O1 PG5 B 166 >ARG^H 101 160.87 53.85 112.98 159.30 55.63 114.92 160.09 54.74 113.95 2 0 31.92 -999 ? O1 PG5 B 166 >VAL^H 102 161.16 49.51 111.87 159.97 47.68 112.19 160.56 48.60 112.03 3 0 29.86 -999 ? O1 PG5 B 166 >ILE^H 103 162.60 51.72 107.84 162.92 53.17 108.00 162.76 52.45 107.92 3 0 30.73 -999 ? O1 PG5 B 166 >LYS^H 104 159.11 49.58 106.25 157.51 50.26 101.04 158.31 49.92 103.65 2 0 23.48 -999 ? O1 PG5 B 166 >LEU^H 105 156.03 45.95 107.06 156.55 45.20 109.09 156.29 45.57 108.07 3 0 24.03 -999 ? O1 PG5 B 166 >ASN^H 106 156.70 44.94 101.43 157.78 46.72 101.01 157.24 45.83 101.22 2 0 23.26 -999 ? O1 PG5 B 166 >GLY^H 107 152.83 42.87 103.26 152.93 43.16 102.49 152.88 43.02 102.88 1 0 19.11 -999 ? O1 PG5 B 166 >PHE^H 108 154.26 40.58 99.53 156.42 42.17 98.93 155.34 41.37 99.23 3 0 18.40 -999 ? C6 PG5 H 166 >VAL^H 109 148.51 38.79 100.88 147.15 39.64 102.35 147.83 39.21 101.61 3 0 14.30 -999 ? C2 PG5 H 166 >ALA^H 110 147.42 35.88 98.61 147.84 34.37 98.77 147.63 35.13 98.69 2 0 9.50 -999 ? O2 PG5 H 166 >SER^H 111 143.99 37.09 97.57 144.68 39.24 98.62 144.34 38.17 98.10 2 0 11.25 -999 ? C3 PG5 B 166 >VAL^H 112 141.04 36.40 95.32 139.43 35.22 96.24 140.23 35.81 95.78 3 0 9.44 -999 ? O2 PG5 F 166 >PRO^H 113 140.71 38.09 91.36 140.37 38.84 93.45 140.54 38.46 92.41 3 0 8.20 -999 ? C4 PG5 B 166 >GLU^H 114 135.26 39.10 93.91 136.45 37.93 92.66 135.85 38.51 93.29 2 0 6.37 -999 ? C4 PG5 B 166 >PHE^H 115 140.49 39.53 100.42 141.29 40.24 103.00 140.89 39.88 101.71 3 0 9.28 -999 ? O1 PG5 B 166 >VAL^H 116 140.01 43.96 99.31 138.33 44.80 98.08 139.17 44.38 98.70 3 0 4.65 -999 ? O1 PG5 B 166 >GLU^H 117 138.56 44.22 103.75 137.01 43.55 105.09 137.79 43.89 104.42 2 0 8.17 -999 ? C1 PG5 B 166 >GLN^H 118 145.29 42.47 100.30 143.65 42.97 99.01 144.47 42.72 99.66 2 0 9.26 -999 ? O1 PG5 B 166 >HIS^H 119 143.19 47.83 104.72 141.10 47.84 104.50 142.15 47.84 104.61 3 0 10.71 -999 ? O1 PG5 B 166 >LEU^H 120 141.75 44.15 107.64 140.26 45.68 108.03 141.01 44.91 107.84 3 0 12.25 -999 ? C1 PG5 B 166 >VAL^H 121 145.32 41.38 107.21 145.28 39.71 105.76 145.30 40.55 106.49 3 0 14.77 -999 ? O1 PG5 B 166 >ILE^H 122 149.36 43.98 106.39 150.46 43.07 106.04 149.91 43.53 106.22 3 0 17.64 -999 ? O1 PG5 B 166 >ASN^H 123 145.88 45.47 110.87 145.48 47.39 109.94 145.68 46.43 110.41 2 0 16.74 -999 ? O1 PG5 B 166 >GLY^H 124 147.98 41.58 112.27 148.46 42.20 112.01 148.22 41.89 112.14 1 0 19.52 -999 ? C1 PG5 H 166 >ALA^H 125 151.74 42.13 111.72 152.42 41.98 110.35 152.08 42.05 111.03 2 0 20.55 -999 ? C1 PG5 H 166 >SER^H 126 151.74 45.94 112.26 151.34 46.97 110.06 151.54 46.46 111.16 2 0 20.98 -999 ? O1 PG5 B 166 >ASN^H 127 148.43 45.13 115.71 146.90 46.33 114.79 147.66 45.73 115.25 2 0 21.30 -999 ? C1 PG5 B 166 >LEU^H 128 152.32 41.47 116.21 153.76 39.84 116.65 153.04 40.65 116.43 3 0 23.06 -999 ? C1 PG5 H 166 >ILE^H 129 155.77 45.06 114.42 156.65 44.96 113.35 156.21 45.01 113.89 3 0 26.22 -999 ? C1 PG5 H 166 >ALA^H 130 154.17 48.12 117.38 153.08 49.01 116.85 153.63 48.57 117.11 2 0 27.07 -999 ? O1 PG5 B 166 >THR^H 131 152.96 46.29 120.54 151.22 45.19 121.11 152.09 45.74 120.83 2 0 28.48 -999 ? C1 PG5 H 166 >VAL^H 132 156.23 44.48 121.21 156.31 42.66 119.95 156.27 43.57 120.58 3 0 28.98 -999 ? C1 PG5 H 166 >LEU^H 133 159.21 47.36 118.82 160.62 45.98 117.85 159.91 46.67 118.33 3 0 31.49 -999 ? C1 PG5 H 166 >GLY^H 134 156.59 50.38 121.11 156.91 50.18 120.39 156.75 50.28 120.75 1 0 32.72 -999 ? O1 PG5 B 166 >GLU^H 135 157.85 56.14 118.87 156.29 56.64 117.52 157.07 56.39 118.20 2 0 31.61 -999 ? C1 PG5 B 166 >PRO^H 136 161.27 52.46 119.51 159.73 52.57 117.90 160.50 52.51 118.71 3 0 34.24 -999 ? O1 PG5 B 166 >GLY^H 137 157.99 49.58 115.96 157.86 50.35 115.86 157.92 49.96 115.91 1 0 30.09 -999 ? O1 PG5 B 166 >ARG^H 138 153.77 54.32 116.41 152.27 56.78 115.35 153.02 55.55 115.88 2 0 27.54 -999 ? C1 PG5 B 166 >HIS^H 139 155.67 49.33 110.45 154.04 48.16 111.06 154.86 48.75 110.75 3 0 24.41 -999 ? O1 PG5 B 166 >ALA^H 140 155.78 52.69 106.83 156.67 53.40 105.87 156.22 53.05 106.35 2 0 24.82 -999 ? O1 PG5 B 166 >ARG^H 141 151.40 47.90 106.99 148.40 47.74 107.57 149.90 47.82 107.28 2 0 17.23 -999 ? O1 PG5 B 166 >ALA^H 142 152.58 48.59 101.67 153.45 48.40 100.43 153.01 48.50 101.05 2 0 19.11 -999 ? O1 PG5 B 166 >ALA^H 143 149.68 46.11 101.71 148.61 46.36 102.80 149.14 46.24 102.26 2 0 14.88 -999 ? O1 PG5 B 166 >VAL^H 144 148.90 44.33 98.40 150.86 44.94 97.66 149.88 44.63 98.03 3 0 15.04 -999 ? O1 PG5 B 166 >GLY^H 145 146.98 41.39 96.96 147.62 41.68 96.54 147.30 41.54 96.75 1 0 12.31 -999 ? C3 PG5 B 166 >MET?H 146 148.96 38.60 95.28 151.31 40.53 96.38 150.14 39.56 95.83 2 0 15.94 -999 ? C6 PG5 H 166 >ALA^H 147 147.85 35.81 92.92 148.38 35.53 91.48 148.11 35.67 92.20 2 0 11.33 -999 ? C6 PG5 H 166 >SER^H 148 149.63 33.23 95.15 150.24 32.28 93.02 149.94 32.76 94.09 2 0 8.14 -999 ? C6 PG5 H 166 >LEU^H 149 152.59 33.44 98.63 152.46 35.59 99.07 152.52 34.51 98.85 3 0 11.12 -999 ? C6 PG5 H 166 >PRO^H 150 157.04 32.08 97.65 155.16 30.86 97.76 156.10 31.47 97.71 3 0 10.61 -999 ? O4 PG5 H 166 >PHE^H 151 156.58 26.71 100.64 159.29 26.22 100.17 157.94 26.47 100.41 3 0 10.24 -999 ? O4 PG5 H 166 >ASN^H 152 149.86 27.14 99.22 147.82 27.47 98.75 148.84 27.30 98.99 2 0 -3.65 -999 ? O2 PG5 H 166s >ALA^H 153 151.43 30.76 102.16 152.77 31.49 102.41 152.10 31.13 102.28 2 0 10.24 -999 ? C2 PG5 H 166 >SER^H 154 148.51 33.10 102.71 146.71 31.68 103.58 147.61 32.39 103.15 2 0 7.18 -999 ? C1 PG5 H 166 >VAL^H 155 150.81 36.01 103.59 149.93 37.47 105.16 150.37 36.74 104.38 3 0 13.26 -999 ? C2 PG5 H 166 >GLU^H 156 156.63 36.56 101.70 157.40 36.23 99.77 157.01 36.39 100.73 2 0 15.38 -999 ? C6 PG5 H 166 >ILE^H 157 155.46 40.39 106.12 154.52 41.20 107.00 154.99 40.79 106.56 3 0 19.46 -999 ? C2 PG5 H 166 >ASP^H 158 160.19 41.49 102.89 159.76 43.18 101.68 159.98 42.34 102.29 2 0 22.62 -999 ? C6 PG5 H 166 >ALA^H 159 161.10 44.33 106.22 160.95 43.97 107.71 161.02 44.15 106.96 2 0 25.67 -999 ? C2 PG5 H 166 >ILE^H 160 163.71 48.23 105.39 164.23 48.94 104.24 163.97 48.59 104.82 3 0 30.07 -999 ? C6 PG5 H 166 >VAL^H 161 164.84 47.90 109.94 164.27 46.38 111.44 164.55 47.14 110.69 3 0 31.10 -999 ? C2 PG5 H 166 >GLU^H 162 168.08 53.00 111.63 167.49 54.99 111.95 167.78 53.99 111.79 2 0 37.09 -999 ? O1 PG5 B 166 >ILE^H 163 170.12 47.76 113.26 170.34 46.63 112.35 170.23 47.19 112.81 3 0 35.67 -999 ? C2 PG5 H 166 >ASP^H 164 172.37 50.17 117.53 171.19 51.73 118.29 171.78 50.95 117.91 2 0 41.29 -999 ? C2 PG5 H 166 >THR^I 2 153.07 77.91 39.34 154.32 77.91 41.17 153.69 77.91 40.25 2 0 50.21 -999 ? C1 PG5 J 167 >GLU^I 3 149.83 78.88 44.05 151.81 79.25 44.76 150.82 79.06 44.40 2 0 48.66 -999 ? C1 PG5 J 167 >ASN^I 4 148.59 80.16 37.30 148.35 82.08 38.22 148.47 81.12 37.76 2 0 45.87 -999 ? C1 PG5 I 166 >LEU^I 5 151.25 75.58 36.49 151.98 74.61 34.67 151.61 75.10 35.58 3 0 45.49 -999 ? C1 PG5 I 166 >TYR^I 6 148.48 73.18 42.10 147.34 71.46 43.97 147.91 72.32 43.04 3 0 43.61 -999 ? C1 PG5 I 166 >PHE^I 7 144.31 76.76 41.08 143.72 77.05 43.82 144.01 76.91 42.45 3 0 41.47 -999 ? C1 PG5 I 166 >GLN^I 8 145.42 74.96 33.00 146.80 74.93 31.34 146.11 74.94 32.17 2 0 40.20 -999 ? C1 PG5 I 166 >GLY^I 9 146.29 71.00 36.25 145.62 71.39 36.56 145.95 71.19 36.41 1 0 39.56 -999 ? C1 PG5 I 166 >MET?I 10 143.58 70.45 38.87 143.50 71.79 42.94 143.54 71.12 40.91 2 0 39.59 -999 ? C1 PG5 I 166 >SER^I 11 140.95 71.62 36.31 140.60 73.97 36.68 140.78 72.80 36.49 2 0 35.40 -999 ? C1 PG5 I 166 >ASP^I 12 143.80 69.28 33.07 144.41 70.99 31.94 144.10 70.14 32.51 2 0 36.85 -999 ? C1 PG5 I 166 >VAL^I 13 142.07 66.46 36.01 143.32 65.65 37.61 142.70 66.05 36.81 3 0 35.40 -999 ? C1 PG5 I 166 >ILE^I 14 137.91 68.73 37.48 137.36 69.58 38.45 137.64 69.16 37.97 3 0 31.74 -999 ? C1 PG5 I 166 >GLU^I 15 137.27 70.09 32.66 137.25 71.47 31.06 137.26 70.78 31.86 2 0 30.13 -999 ? C1 PG5 I 166 >GLY^I 16 139.42 64.49 32.28 138.83 64.58 32.86 139.12 64.54 32.57 1 0 30.89 -999 ? C1 PG5 I 166 >ARG^I 17 138.55 62.67 38.61 141.32 62.23 39.97 139.94 62.45 39.29 2 0 34.95 -999 ? C1 PG5 I 166 >LEU^I 18 133.92 65.16 33.25 131.89 65.79 33.21 132.90 65.47 33.23 3 0 25.01 -999 ? C1 PG5 I 166 >LYS^I 19 135.44 62.49 29.91 138.99 66.77 26.97 137.21 64.63 28.44 2 0 30.13 -999 ? C1 PG5 I 166 >GLU^I 20 138.63 59.09 32.28 139.92 58.91 33.97 139.28 59.00 33.12 2 0 31.70 -999 ? C1 PG5 I 166 >LEU^I 21 132.04 59.93 33.65 132.07 59.45 35.77 132.05 59.69 34.71 3 0 24.41 -999 ? C1 PG5 I 166 >GLY^I 22 131.42 59.76 28.99 131.55 60.43 29.40 131.49 60.09 29.20 1 0 22.32 -999 ? C1 PG5 I 166 >PHE^I 23 128.92 63.08 30.58 126.84 61.40 31.30 127.88 62.24 30.94 3 0 19.22 -999 ? C1 PG5 I 166 >THR^I 24 132.40 66.67 27.58 132.54 66.38 25.44 132.47 66.52 26.51 2 0 23.71 -999 ? C1 PG5 I 166 >LEU^I 25 132.27 70.99 29.83 132.44 71.03 31.99 132.35 71.01 30.91 3 0 25.45 -999 ? C1 PG5 I 166 >PRO^I 26 127.32 71.59 28.43 129.30 71.57 27.34 128.31 71.58 27.89 3 0 21.63 -999 ? C1 PG5 I 166 >VAL^I 27 129.33 75.75 26.28 129.83 77.06 24.55 129.58 76.40 25.41 3 0 25.21 -999 ? C1 PG5 I 166 >ALA^I 28 125.95 75.72 28.19 124.71 76.09 27.39 125.33 75.91 27.79 2 0 21.35 -999 ? C1 PG5 I 166 >ALA^I 33 117.69 87.44 29.93 117.13 86.02 30.14 117.41 86.73 30.03 2 0 21.86 -999 ? C7 PG5 I 166 >ASN^I 34 115.00 89.70 33.30 114.74 91.34 31.91 114.87 90.52 32.60 2 0 25.31 -999 ? C8 PG5 I 166 >TYR^I 35 116.13 83.93 34.23 115.12 82.29 32.21 115.62 83.11 33.22 3 0 19.55 -999 ? C7 PG5 I 166 >VAL^I 36 121.10 84.69 34.67 121.94 86.45 35.64 121.52 85.57 35.16 3 0 25.67 -999 ? C7 PG5 I 166 >PRO^I 37 123.54 81.79 32.59 122.56 81.91 34.58 123.05 81.85 33.58 3 0 24.05 -999 ? C7 PG5 I 166 >PHE^I 38 126.88 81.90 37.12 128.75 83.07 35.42 127.81 82.49 36.27 3 0 29.06 -999 ? C7 PG5 I 166 >THR^I 39 125.09 84.72 40.64 123.08 85.25 41.30 124.08 84.99 40.97 2 0 29.16 -999 ? C7 PG5 I 166 >ILE^I 40 129.32 85.23 42.80 130.59 84.86 42.47 129.96 85.05 42.63 3 0 34.54 -999 ? C7 PG5 I 166 >SER^I 41 127.44 86.43 46.73 126.02 87.22 48.55 126.73 86.82 47.64 2 0 36.17 -999 ? C7 PG5 I 166 >GLY^I 42 130.67 86.43 48.76 130.45 86.06 48.02 130.56 86.25 48.39 1 0 38.92 -999 ? C7 PG5 I 166 >ASN^I 43 133.29 82.45 49.08 132.70 81.51 50.87 133.00 81.98 49.97 2 0 39.70 -999 ? C7 PG5 I 166 >LEU^I 44 127.65 81.33 48.28 127.54 80.09 50.11 127.59 80.71 49.20 3 0 34.81 -999 ? C7 PG5 I 166 >LEU^I 45 128.93 79.89 42.82 129.08 79.87 40.61 129.01 79.88 41.71 3 0 31.23 -999 ? C7 PG5 I 166 >TYR^I 46 123.01 81.15 44.95 122.60 81.16 47.70 122.81 81.16 46.32 3 0 29.97 -999 ? C7 PG5 I 166 >VAL^I 47 123.64 78.17 39.83 125.10 76.79 38.92 124.37 77.48 39.38 3 0 25.55 -999 ? C7 PG5 I 166 >SER^I 48 120.21 78.34 38.17 119.91 80.57 37.32 120.06 79.46 37.74 2 0 22.49 -999 ? C7 PG5 I 166 >GLY^I 49 118.23 75.17 37.52 118.62 75.66 37.00 118.42 75.41 37.26 1 0 19.04 -999 ? C7 PG5 I 166 >GLN^I 50 122.25 73.93 35.26 122.17 75.60 33.96 122.21 74.77 34.61 2 0 20.69 -999 ? C7 PG5 I 166 >LEU^I 51 117.05 71.54 31.36 115.32 72.76 31.91 116.18 72.15 31.63 3 0 13.54 -999 ? C7 PG5 I 166 >PRO^I 52 117.15 66.81 31.05 118.89 68.24 30.99 118.02 67.52 31.02 3 0 11.84 -999 ? C1 PG5 I 166 >MET?I 53 120.87 69.58 27.72 118.67 71.88 27.40 119.77 70.73 27.56 2 0 14.16 -999 ? C1 PG5 I 166 >GLU^I 54 124.15 65.36 25.03 124.10 63.27 25.45 124.13 64.31 25.24 2 0 14.85 -999 ? C1 PG5 I 166 >SER^I 55 123.94 69.18 21.87 124.77 67.07 21.11 124.35 68.13 21.49 2 0 17.09 -999 ? C1 PG5 I 166 >GLY^I 56 121.63 72.05 22.53 121.41 71.28 22.57 121.52 71.67 22.55 1 0 16.61 -999 ? C1 PG5 I 166 >LYS^I 57 118.62 69.73 22.95 120.73 67.70 18.19 119.68 68.71 20.57 2 0 15.08 -999 ? C1 PG5 I 166 >ILE^I 58 115.29 68.97 26.47 115.34 69.64 27.81 115.31 69.30 27.14 3 0 10.04 -999 ? C1 PG5 I 166 >ALA^I 59 117.88 64.93 25.92 119.30 64.52 26.35 118.59 64.72 26.14 2 0 10.43 -999 ? C1 PG5 I 166 >VAL^I 60 115.36 63.32 28.30 116.22 61.78 29.63 115.79 62.55 28.97 3 0 7.25 -999 ? C1 PG5 I 166 >THR^I 61 111.71 64.39 28.47 111.63 65.17 26.45 111.67 64.78 27.46 2 0 -4.51 -999 ? C1 PG5 I 166s >GLY^I 62 108.51 63.23 30.13 109.15 63.43 30.59 108.83 63.33 30.36 1 0 4.12 -999 ? C2 PG5 I 166 >LEU^I 63 106.07 61.71 33.91 104.70 63.36 34.16 105.39 62.53 34.03 3 0 7.18 -999 ? O2 PG5 I 166 >VAL^I 64 109.57 59.37 35.37 111.51 59.66 36.29 110.54 59.51 35.83 3 0 10.25 -999 ? C1 PG5 I 166 >GLY^I 65 107.36 56.29 35.94 107.35 56.70 35.23 107.36 56.49 35.59 1 0 8.51 -999 ? O3 PG5 G 166 >ARG^I 66 102.43 59.19 31.62 100.12 57.77 30.18 101.27 58.48 30.90 2 0 -3.58 -999 ? O3 PG5 G 166s >ASP^I 67 107.61 59.63 29.50 105.66 60.37 29.31 106.63 60.00 29.40 2 0 -3.60 -999 ? C3 PG5 I 166s >VAL^I 68 111.08 57.39 31.28 111.71 59.48 31.38 111.39 58.43 31.33 3 0 6.55 -999 ? C1 PG5 I 166 >ASP^I 69 112.80 53.33 33.09 114.58 53.11 31.88 113.69 53.22 32.49 2 0 11.45 -999 ? C1 PG5 I 166 >VAL^I 70 115.00 55.19 36.38 115.09 54.68 38.49 115.05 54.93 37.44 3 0 13.13 -999 ? C2 PG5 A 166 >ALA^I 71 118.07 54.46 34.24 118.35 53.17 33.48 118.21 53.82 33.86 2 0 14.34 -999 ? C1 PG5 I 166 >SER^I 72 117.06 57.07 31.63 115.97 55.90 29.84 116.52 56.49 30.73 2 0 9.43 -999 ? C1 PG5 I 166 >ALA^I 73 116.21 59.57 34.39 115.12 59.36 35.47 115.67 59.46 34.93 2 0 11.40 -999 ? C1 PG5 I 166 >GLN^I 74 119.65 57.18 37.70 120.12 55.18 38.27 119.88 56.18 37.99 2 0 17.08 -999 ? C2 PG5 A 166 >ARG^I 75 123.29 59.71 30.31 125.36 57.51 31.01 124.32 58.61 30.66 2 0 17.23 -999 ? C1 PG5 I 166 >ALA^I 76 119.06 63.06 32.67 117.51 63.14 32.81 118.28 63.10 32.74 2 0 10.88 -999 ? C1 PG5 I 166 >ALA^I 77 120.37 63.87 36.18 120.19 62.98 37.40 120.28 63.43 36.79 2 0 15.94 -999 ? C1 PG5 I 166 >GLU^I 78 124.72 60.88 35.13 125.13 59.03 34.10 124.93 59.96 34.62 2 0 17.95 -999 ? C1 PG5 I 166 >LEU^I 79 122.37 65.57 30.90 122.90 64.63 28.99 122.64 65.10 29.94 3 0 14.39 -999 ? C1 PG5 I 166 >CYH^I 80 121.86 68.36 34.48 119.11 67.93 34.75 120.49 68.14 34.62 2 0 14.78 -999 ? C1 PG5 I 166 >ALA^I 81 125.04 67.93 36.56 125.46 66.62 37.23 125.25 67.28 36.90 2 0 20.43 -999 ? C1 PG5 I 166 >VAL^I 82 127.30 68.43 33.50 128.04 67.13 31.83 127.67 67.78 32.66 3 0 20.57 -999 ? C1 PG5 I 166 >ASN^I 83 123.95 71.72 32.21 123.76 71.13 30.18 123.86 71.42 31.20 2 0 17.95 -999 ? C1 PG5 I 166 >ILE^I 84 125.50 71.99 37.64 124.85 71.88 38.92 125.17 71.94 38.28 3 0 22.76 -999 ? C1 PG5 I 166 >LEU^I 85 130.27 70.72 35.73 130.80 69.36 37.35 130.54 70.04 36.54 3 0 25.27 -999 ? C1 PG5 I 166 >ALA^I 86 129.65 74.07 32.65 128.84 73.78 31.38 129.25 73.92 32.01 2 0 23.77 -999 ? C1 PG5 I 166 >GLN^I 87 125.59 76.92 34.03 125.40 78.26 32.39 125.49 77.59 33.21 2 0 24.01 -999 ? C7 PG5 I 166 >VAL^I 88 130.49 76.80 37.35 130.56 75.59 39.18 130.53 76.20 38.26 3 0 28.70 -999 ? C1 PG5 I 166 >LYS^I 89 133.44 76.64 34.91 136.64 74.09 30.09 135.04 75.36 32.50 2 0 30.40 -999 ? C1 PG5 I 166 >ALA^I 90 132.14 79.85 33.28 130.77 79.99 32.60 131.46 79.92 32.94 2 0 29.20 -999 ? C1 PG5 I 166 >ALA^I 91 131.66 81.46 36.71 130.76 80.88 37.81 131.21 81.17 37.26 2 0 31.37 -999 ? C1 PG5 I 166 >LEU^I 92 135.49 79.32 38.40 134.78 78.77 40.40 135.14 79.04 39.40 3 0 34.10 -999 ? C1 PG5 I 166 >ASN^I 93 137.65 83.04 34.88 136.45 84.75 35.34 137.05 83.90 35.11 2 0 37.05 -999 ? C1 PG5 I 166 >GLY^I 94 137.71 78.34 33.23 137.65 78.41 34.01 137.68 78.38 33.62 1 0 33.87 -999 ? C1 PG5 I 166 >ASP^I 95 139.65 77.93 37.39 141.73 77.70 37.24 140.69 77.81 37.31 2 0 38.02 -999 ? C1 PG5 I 166 >LEU^I 96 136.28 72.81 37.40 134.30 72.54 36.51 135.29 72.68 36.96 3 0 30.41 -999 ? C1 PG5 I 166 >SER^I 97 139.67 73.69 40.61 141.48 74.83 39.48 140.58 74.26 40.05 2 0 37.42 -999 ? C1 PG5 I 166 >LYS^I 98 138.41 76.87 42.32 141.30 80.80 38.49 139.85 78.83 40.40 2 0 39.48 -999 ? C1 PG5 I 166 >ILE^I 99 134.72 73.61 42.97 133.68 72.86 42.39 134.20 73.24 42.68 3 0 32.29 -999 ? C1 PG5 I 166 >ARG^I 100 136.82 77.90 49.17 138.95 77.00 51.25 137.88 77.45 50.21 2 0 41.52 -999 ? C1 PG5 A 166 >ARG^I 101 131.34 70.61 50.22 133.06 68.37 51.42 132.20 69.49 50.82 2 0 31.96 -999 ? C1 PG5 A 166 >VAL^I 102 129.51 71.68 46.39 128.91 70.59 44.61 129.21 71.14 45.50 3 0 29.62 -999 ? C1 PG5 I 166 >ILE^I 103 127.06 74.31 49.57 127.56 74.37 50.97 127.31 74.34 50.27 3 0 30.86 -999 ? C1 PG5 A 166 >LYS^I 104 123.82 71.83 47.96 118.73 72.11 50.09 121.28 71.97 49.02 2 0 23.66 -999 ? C1 PG5 A 166 >LEU^I 105 122.43 69.18 44.17 124.15 69.02 42.91 123.29 69.10 43.54 3 0 23.85 -999 ? C1 PG5 I 166 >ASN^I 106 117.34 71.85 44.83 117.82 72.85 46.64 117.58 72.35 45.74 2 0 23.32 -999 ? C2 PG5 A 166 >GLY^I 107 117.07 67.72 42.36 116.48 68.09 42.85 116.77 67.90 42.60 1 0 18.99 -999 ? C2 PG5 A 166 >PHE^I 108 113.65 70.65 41.20 114.46 72.76 42.80 114.05 71.71 42.00 3 0 18.65 -999 ? C6 PG5 I 166 >VAL^I 109 112.30 65.00 39.10 113.26 63.09 39.55 112.78 64.05 39.32 3 0 14.20 -999 ? C1 PG5 I 166 >ALA^I 110 109.16 65.16 36.88 109.10 65.65 35.40 109.13 65.40 36.14 2 0 9.42 -999 ? O2 PG5 I 166 >SER^I 111 107.20 62.23 38.34 108.96 62.26 40.08 108.08 62.24 39.21 2 0 10.95 -999 ? C2 PG5 A 166 >VAL^I 112 103.93 60.37 38.24 103.79 58.63 36.81 103.86 59.50 37.52 3 0 9.52 -999 ? C3 PG5 A 166 >PRO^I 113 100.71 61.29 40.81 102.62 60.16 41.07 101.66 60.72 40.94 3 0 8.03 -999 ? C3 PG5 A 166 >GLU^I 114 101.17 55.21 41.35 100.16 56.89 40.51 100.67 56.05 40.93 2 0 -6.37 -999 ? C3 PG5 A 166s >PHE^I 115 109.02 57.68 39.94 111.78 57.45 39.95 110.40 57.57 39.95 3 0 8.79 -999 ? C2 PG5 A 166 >VAL^I 116 108.96 57.22 44.51 107.42 56.02 45.56 108.19 56.62 45.04 3 0 4.63 -999 ? C2 PG5 A 166 >GLU^I 117 112.46 54.22 43.54 112.57 52.46 42.38 112.52 53.34 42.96 2 0 8.56 -999 ? C2 PG5 A 166 >GLN^I 118 111.45 61.76 42.76 109.82 60.78 43.72 110.64 61.27 43.24 2 0 8.95 -999 ? C2 PG5 A 166 >HIS^I 119 115.98 57.79 46.75 114.89 56.00 46.81 115.44 56.90 46.78 3 0 10.78 -999 ? C1 PG5 A 166 >LEU^I 120 117.13 55.81 42.48 117.22 54.17 43.85 117.18 54.99 43.16 3 0 12.57 -999 ? C1 PG5 A 166 >VAL^I 121 117.37 59.52 39.94 115.66 60.18 38.77 116.51 59.85 39.36 3 0 14.66 -999 ? C2 PG5 A 166 >ILE^I 122 118.80 63.27 42.67 118.66 64.50 41.92 118.73 63.88 42.29 3 0 17.67 -999 ? C2 PG5 A 166 >ASN^I 123 121.89 58.34 42.92 121.35 58.11 44.99 121.62 58.23 43.96 2 0 16.88 -999 ? C1 PG5 A 166 >GLY^I 124 122.91 60.15 38.72 123.02 60.63 39.41 122.97 60.39 39.06 1 0 18.74 -999 ? C1 PG5 I 166 >ALA^I 125 124.01 63.76 39.42 123.04 64.95 39.67 123.53 64.36 39.54 2 0 19.79 -999 ? C1 PG5 I 166 >SER^I 126 125.43 63.16 42.90 123.59 63.47 44.45 124.51 63.32 43.68 2 0 21.23 -999 ? C1 PG5 A 166 >ASN^I 127 127.07 58.92 41.24 126.02 57.70 42.66 126.54 58.31 41.95 2 0 21.60 -999 ? C1 PG5 A 166 >LEU^I 128 128.03 62.60 37.57 128.61 63.96 35.90 128.32 63.28 36.73 3 0 21.95 -999 ? C1 PG5 I 166 >ILE^I 129 128.70 66.20 41.44 128.07 67.43 41.61 128.38 66.82 41.53 3 0 25.27 -999 ? C1 PG5 I 166 >ALA^I 130 131.41 63.39 43.68 130.74 62.46 44.66 131.07 62.92 44.17 2 0 27.17 -999 ? C1 PG5 A 166 >THR^I 131 133.42 61.28 41.17 133.04 59.51 39.98 133.23 60.39 40.57 2 0 27.64 -999 ? C1 PG5 I 166 >VAL^I 132 134.79 64.20 39.11 134.04 65.06 37.23 134.42 64.63 38.17 3 0 28.12 -999 ? C1 PG5 I 166 >LEU^I 133 134.37 67.47 42.56 133.79 69.29 41.45 134.08 68.38 42.01 3 0 30.37 -999 ? C1 PG5 I 166 >GLY^I 134 136.29 64.02 44.85 135.70 64.57 44.84 135.99 64.29 44.85 1 0 32.87 -999 ? C1 PG5 A 166 >GLU^I 135 136.04 65.50 51.01 134.41 64.44 51.93 135.23 64.97 51.47 2 0 31.54 -999 ? C1 PG5 A 166 >PRO^I 136 137.10 68.82 47.26 135.14 67.90 47.74 136.12 68.36 47.50 3 0 34.37 -999 ? C1 PG5 A 166 >GLY^I 137 131.99 67.22 45.40 132.05 67.07 46.18 132.02 67.14 45.79 1 0 30.25 -999 ? C1 PG5 A 166 >ARG^I 138 131.28 62.32 49.68 131.33 61.58 52.67 131.31 61.95 51.18 2 0 27.83 -999 ? C1 PG5 A 166 >HIS^I 139 126.18 67.17 46.68 125.82 65.54 45.41 126.00 66.36 46.05 3 0 24.65 -999 ? C1 PG5 A 166 >ALA^I 140 123.81 68.27 50.89 123.45 69.39 51.83 123.63 68.83 51.36 2 0 24.93 -999 ? C1 PG5 A 166 >ARG^I 141 121.17 64.55 46.28 120.51 61.57 45.90 120.84 63.06 46.09 2 0 17.47 -999 ? C1 PG5 A 166 >ALA^I 142 117.00 67.49 48.30 116.12 68.68 48.54 116.56 68.08 48.42 2 0 19.17 -999 ? C2 PG5 A 166 >ALA^I 143 115.28 65.14 45.84 115.92 63.77 45.76 115.60 64.46 45.80 2 0 15.16 -999 ? C2 PG5 A 166 >VAL^I 144 111.59 65.73 45.08 111.84 67.76 45.86 111.71 66.74 45.47 3 0 14.87 -999 ? C2 PG5 A 166 >GLY^I 145 108.88 64.75 42.58 108.82 65.46 42.99 108.85 65.10 42.78 1 0 12.17 -999 ? C2 PG5 A 166 >MET?I 146 107.43 67.54 40.40 109.86 69.04 41.97 108.65 68.29 41.18 2 0 16.19 -999 ? C6 PG5 I 166 >ALA^I 147 104.21 67.57 38.37 103.06 68.56 38.58 103.64 68.07 38.47 2 0 11.52 -999 ? C6 PG5 I 166 >SER^I 148 106.20 68.74 35.29 104.29 70.17 34.84 105.25 69.45 35.07 2 0 8.16 -999 ? C6 PG5 I 166 >LEU^I 149 110.53 70.11 34.54 111.42 69.57 36.43 110.97 69.84 35.49 3 0 11.38 -999 ? C6 PG5 I 166 >PRO^I 150 110.95 74.81 33.48 110.06 73.11 32.29 110.51 73.96 32.88 3 0 10.45 -999 ? C7 PG5 I 166 >PHE^I 151 112.13 73.75 27.52 112.55 76.48 27.15 112.34 75.12 27.33 3 0 10.36 -999 ? C7 PG5 I 166 >ASN^I 152 108.44 68.04 28.29 107.27 66.31 28.75 107.85 67.17 28.52 2 0 -3.68 -999 ? O2 PG5 I 166s >ALA^I 153 112.53 68.01 31.01 113.49 69.03 31.60 113.01 68.52 31.31 2 0 10.37 -999 ? C2 PG5 I 166 >SER^I 154 112.51 64.87 33.15 112.32 63.03 31.55 112.41 63.95 32.35 2 0 6.68 -999 ? C1 PG5 I 166 >VAL^I 155 114.90 66.43 35.68 116.28 64.95 36.63 115.59 65.69 36.15 3 0 12.84 -999 ? C1 PG5 I 166 >GLU^I 156 115.60 72.42 36.75 114.03 73.91 36.92 114.81 73.17 36.84 2 0 15.32 -999 ? C7 PG5 I 166 >ILE^I 157 119.94 69.41 39.17 120.57 68.12 39.77 120.25 68.76 39.47 3 0 18.98 -999 ? C1 PG5 I 166 >ASP^I 158 119.23 74.91 41.12 118.33 74.80 43.02 118.78 74.85 42.07 2 0 22.67 -999 ? C7 PG5 I 166 >ALA^I 159 123.21 74.18 42.97 124.38 73.57 42.19 123.79 73.88 42.58 2 0 25.37 -999 ? C1 PG5 I 166 >ILE^I 160 124.40 76.60 46.90 123.72 77.30 47.86 124.06 76.95 47.38 3 0 30.07 -999 ? C7 PG5 I 166 >VAL^I 161 128.81 75.96 45.40 129.58 75.04 43.54 129.20 75.50 44.47 3 0 30.70 -999 ? C1 PG5 I 166 >GLU^I 162 132.80 77.83 49.84 133.40 77.00 51.66 133.10 77.41 50.75 2 0 37.25 -999 ? C1 PG5 A 166 >ILE^I 163 133.74 79.61 44.33 132.74 80.24 43.47 133.24 79.92 43.90 3 0 35.25 -999 ? C1 PG5 I 166 >ASP^I 164 138.96 79.75 45.45 139.40 78.01 46.56 139.18 78.88 46.00 2 0 40.13 -999 ? C1 PG5 I 166 >GLU^J 3 111.92 7.58 48.90 110.99 6.27 50.27 111.45 6.92 49.58 2 0 45.88 -999 ? C1 PG5 L 166 >ASN^J 4 117.11 4.97 47.43 119.13 4.76 48.22 118.12 4.87 47.83 2 0 44.27 -999 ? C2 PG5 J 166 >LEU^J 5 117.67 8.22 43.17 119.18 8.12 41.60 118.42 8.17 42.38 3 0 46.48 -999 ? O1 PG5 A 166 >TYR^J 6 114.46 13.19 46.36 113.70 15.78 47.10 114.08 14.48 46.73 3 0 39.10 -999 ? O1 PG5 A 166 >PHE^J 7 115.90 10.44 50.85 113.36 11.05 51.82 114.63 10.75 51.34 3 0 42.91 -999 ? C2 PG5 J 166 >GLN^J 8 122.90 8.83 46.74 123.49 7.79 44.94 123.20 8.31 45.84 2 0 42.33 -999 ? O1 PG5 J 166 >GLY^J 9 120.97 13.41 45.88 120.85 13.34 46.69 120.91 13.38 46.29 1 0 40.86 -999 ? O1 PG5 J 166 >MET?J 10 119.93 15.64 48.80 115.93 16.02 50.36 117.93 15.83 49.58 2 0 38.23 -999 ? C1 PG5 A 166 >SER^J 11 122.85 14.21 50.85 122.06 12.35 52.11 122.46 13.28 51.48 2 0 36.53 -999 ? C2 PG5 J 166 >ASP^J 12 125.16 14.43 46.55 125.58 12.37 46.24 125.37 13.40 46.40 2 0 38.22 -999 ? O1 PG5 J 166 >VAL^J 13 124.05 18.48 47.92 122.32 19.51 47.02 123.19 19.00 47.47 3 0 36.63 -999 ? O1 PG5 J 166 >ILE^J 14 123.72 18.12 52.82 122.82 17.89 53.87 123.27 18.01 53.34 3 0 32.92 -999 ? O1 PG5 J 166 >GLU^J 15 128.07 15.26 52.75 128.87 13.30 52.61 128.47 14.28 52.68 2 0 31.51 -999 ? O1 PG5 J 166 >GLY^J 16 128.80 19.54 48.54 128.53 19.81 49.26 128.66 19.68 48.90 1 0 32.23 -999 ? O1 PG5 J 166 >ARG^J 17 123.99 23.47 50.42 120.96 22.96 50.04 122.47 23.21 50.23 2 0 33.61 -999 ? C1 PG5 A 166 >LEU^J 18 129.94 20.64 53.99 130.64 20.48 56.03 130.29 20.56 55.01 3 0 26.22 -999 ? O1 PG5 J 166 >LYS^J 19 132.96 21.33 50.69 133.19 15.55 48.10 133.08 18.44 49.40 2 0 31.65 -999 ? O1 PG5 J 166 >GLU^J 20 130.56 24.57 47.27 128.75 25.17 46.41 129.65 24.87 46.84 2 0 33.00 -999 ? O1 PG5 J 166 >LEU^J 21 131.79 26.02 53.90 129.96 27.04 54.28 130.87 26.53 54.09 3 0 25.50 -999 ? O1 PG5 J 166 >GLY^J 22 136.12 24.52 52.82 135.53 24.10 53.13 135.83 24.31 52.98 1 0 23.82 -999 ? O1 PG5 J 166 >PHE^J 23 134.79 22.91 56.90 135.39 25.22 58.32 135.09 24.06 57.61 3 0 20.46 -999 ? O1 PG5 J 166 >THR^J 24 135.27 17.68 54.32 137.19 17.08 53.56 136.23 17.38 53.94 2 0 24.93 -999 ? O1 PG5 J 166 >LEU^J 25 132.17 14.70 56.64 130.13 15.49 56.90 131.15 15.10 56.77 3 0 26.58 -999 ? C2 PG5 J 166 >PRO^J 26 135.13 14.75 60.87 135.39 13.90 58.81 135.26 14.33 59.84 3 0 22.68 -999 ? C2 PG5 J 166 >VAL^J 27 135.11 9.65 59.47 136.08 7.77 58.91 135.59 8.71 59.19 3 0 26.42 -999 ? C8 PG5 J 166 >ALA^J 33 133.47 3.54 75.30 133.86 5.05 75.28 133.67 4.29 75.29 2 0 21.68 -999 ? C7 PG5 J 166 >ASN^J 34 130.91 3.29 79.43 131.71 1.34 79.79 131.31 2.32 79.61 2 0 25.52 -999 ? O4 PG5 J 166 >TYR^J 35 131.06 8.59 76.78 133.65 9.51 76.45 132.36 9.05 76.61 3 0 19.44 -999 ? C7 PG5 J 166 >VAL^J 36 128.66 6.90 72.68 127.01 5.46 72.81 127.84 6.18 72.74 3 0 25.39 -999 ? C7 PG5 J 166 >PRO^J 37 129.76 7.99 68.64 128.82 9.07 70.40 129.29 8.53 69.52 3 0 23.99 -999 ? C7 PG5 J 166 >PHE^J 38 124.94 8.84 67.23 125.48 6.70 65.51 125.21 7.77 66.37 3 0 28.70 -999 ? C7 PG5 J 166 >THR^J 39 121.72 7.98 70.78 121.86 8.29 72.94 121.79 8.13 71.86 2 0 28.86 -999 ? C7 PG5 J 166 >ILE^J 40 118.10 7.36 67.86 117.95 7.43 66.42 118.02 7.39 67.14 3 0 34.18 -999 ? C7 PG5 J 166 >SER^J 41 114.90 8.06 71.04 113.60 8.34 73.08 114.25 8.20 72.06 2 0 36.04 -999 ? C7 PG5 J 166 >GLY^J 42 111.93 8.03 68.73 112.76 8.12 68.56 112.35 8.07 68.64 1 0 38.64 -999 ? C7 PG5 J 166 >ASN^J 43 111.64 11.03 65.04 110.39 12.56 65.83 111.01 11.80 65.43 2 0 39.51 -999 ? C7 PG5 J 166 >LEU^J 44 114.72 13.16 69.44 113.57 15.08 69.51 114.15 14.12 69.48 3 0 34.54 -999 ? C7 PG5 J 166 >LEU^J 45 119.55 12.17 66.27 121.44 11.30 65.50 120.49 11.73 65.88 3 0 30.92 -999 ? C7 PG5 J 166 >TYR^J 46 119.54 13.29 72.59 117.24 14.37 73.71 118.39 13.83 73.15 3 0 29.74 -999 ? C7 PG5 J 166 >VAL^J 47 124.64 13.93 69.53 125.28 14.56 67.50 124.96 14.24 68.51 3 0 25.20 -999 ? C7 PG5 J 166 >SER^J 48 127.39 14.02 72.16 127.72 11.83 73.04 127.55 12.93 72.60 2 0 22.21 -999 ? C7 PG5 J 166 >GLY^J 49 129.50 17.16 72.71 129.64 16.43 72.34 129.57 16.79 72.53 1 0 18.72 -999 ? C7 PG5 J 166 >GLN^J 50 130.35 16.44 68.01 131.12 14.50 68.25 130.73 15.47 68.13 2 0 20.33 -999 ? C7 PG5 J 166 >LEU^J 51 136.38 18.51 70.71 136.30 18.19 72.90 136.34 18.35 71.81 3 0 13.07 -999 ? C7 PG5 J 166 >PRO^J 52 137.84 22.58 68.85 136.83 20.88 67.77 137.33 21.73 68.31 3 0 12.54 -999 ? C2 PG5 J 166 >MET?J 53 138.71 18.05 65.60 139.32 16.34 68.23 139.01 17.20 66.91 2 0 14.43 -999 ? C7 PG5 J 166 >GLU^J 54 140.90 20.13 60.42 141.08 22.19 59.90 140.99 21.16 60.16 2 0 16.10 -999 ? O1 PG5 J 166 >SER^J 55 142.89 15.74 60.88 143.86 17.31 59.25 143.37 16.53 60.07 2 0 17.99 -999 ? C1 PG5 J 166 >GLY^J 56 142.45 13.80 64.13 142.62 14.58 64.13 142.54 14.19 64.13 1 0 17.41 -999 ? C8 PG5 J 166 >LYS^J 57 143.62 16.65 66.39 149.84 16.86 65.99 146.73 16.76 66.19 2 0 13.01 -999 ? C1 PG5 J 166 >ILE^J 58 142.02 19.59 70.03 140.62 19.40 70.50 141.32 19.50 70.26 3 0 10.32 -999 ? C2 PG5 J 166 >ALA^J 59 142.57 22.29 66.10 141.76 22.40 64.83 142.16 22.34 65.47 2 0 11.75 -999 ? O1 PG5 J 166 >VAL^J 60 141.81 25.23 68.37 140.63 26.86 67.46 141.22 26.04 67.91 3 0 8.50 -999 ? O1 PG5 J 166 >THR^J 61 142.75 25.28 72.05 144.42 23.90 71.93 143.58 24.59 71.99 2 0 4.80 -999 ? C2 PG5 J 166 >GLY^J 62 142.72 27.64 75.00 142.01 27.50 74.62 142.37 27.57 74.81 1 0 4.05 -999 ? C2 PG5 J 166 >LEU^J 63 140.69 30.99 77.72 140.49 29.90 79.61 140.59 30.44 78.67 3 0 7.17 -999 ? O2 PG5 J 166 >VAL^J 64 138.64 32.85 74.13 137.11 32.56 72.61 137.88 32.70 73.37 3 0 10.48 -999 ? O1 PG5 J 166 >GLY^J 65 139.73 36.34 75.13 140.26 35.71 75.10 140.00 36.02 75.12 1 0 7.94 -999 ? C4 PG5 J 167 >ARG^J 66 144.70 33.47 79.44 147.26 34.80 80.52 145.98 34.14 79.98 2 0 -3.34 -999 ? C5 PG5 J 167s >ASP^J 67 144.60 30.96 74.33 145.30 30.78 76.29 144.95 30.87 75.31 2 0 3.82 -999 ? C3 PG5 J 166 >VAL^J 68 142.22 32.74 70.94 141.44 30.69 71.07 141.83 31.71 71.01 3 0 7.06 -999 ? O1 PG5 J 166 >ASP^J 69 140.91 36.62 68.43 141.39 35.97 66.46 141.15 36.30 67.44 2 0 10.94 -999 ? C1 PG5 J 167 >VAL^J 70 136.73 35.55 68.06 134.96 36.76 68.33 135.84 36.15 68.19 3 0 13.28 -999 ? C8 PG5 C 166 >ALA^J 71 137.68 34.65 64.46 138.60 35.48 63.56 138.14 35.06 64.01 2 0 14.81 -999 ? C1 PG5 J 167 >SER^J 72 139.73 31.65 65.55 142.03 32.41 65.60 140.88 32.03 65.57 2 0 10.53 -999 ? O1 PG5 J 166 >ALA^J 73 136.98 30.60 68.00 136.49 31.39 69.21 136.74 30.99 68.60 2 0 12.09 -999 ? O1 PG5 J 166 >GLN^J 74 133.40 33.13 65.03 133.14 34.98 63.98 133.27 34.05 64.51 2 0 17.20 -999 ? O4 PG5 C 166 >ARG^J 75 138.23 26.92 60.98 139.35 25.36 58.55 138.79 26.14 59.76 2 0 17.20 -999 ? O1 PG5 J 166 >ALA^J 76 136.56 26.04 66.30 136.96 26.40 67.73 136.76 26.22 67.01 2 0 11.93 -999 ? O1 PG5 J 166 >ALA^J 77 132.76 26.32 66.35 132.01 27.58 66.56 132.39 26.95 66.45 2 0 16.76 -999 ? O1 PG5 J 166 >GLU^J 78 132.84 27.55 61.13 134.02 28.68 59.80 133.43 28.11 60.47 2 0 19.12 -999 ? O1 PG5 J 166 >LEU^J 79 136.30 22.45 63.71 137.98 22.52 62.32 137.14 22.48 63.02 3 0 15.62 -999 ? O1 PG5 J 166 >CYH^J 80 132.56 21.32 66.16 133.48 22.54 68.51 133.02 21.93 67.34 2 0 15.30 -999 ? C2 PG5 J 166 >ALA^J 81 129.61 21.60 63.70 129.20 22.92 63.04 129.40 22.26 63.37 2 0 21.43 -999 ? C2 PG5 J 166 >VAL^J 82 131.39 19.52 61.03 132.97 19.93 59.52 132.18 19.73 60.27 3 0 21.73 -999 ? O1 PG5 J 166 >ASN^J 83 132.95 16.94 64.87 135.01 16.78 64.27 133.98 16.86 64.57 2 0 18.75 -999 ? C2 PG5 J 166 >ILE^J 84 127.48 18.21 65.05 126.66 18.96 65.92 127.07 18.59 65.48 3 0 23.30 -999 ? C2 PG5 J 166 >LEU^J 85 127.61 17.51 59.89 126.28 19.23 59.39 126.94 18.37 59.64 3 0 26.32 -999 ? C2 PG5 J 166 >ALA^J 86 129.81 13.56 60.74 131.30 13.59 61.09 130.55 13.57 60.91 2 0 24.59 -999 ? C2 PG5 J 166 >GLN^J 87 129.38 12.49 65.73 130.58 10.77 65.99 129.98 11.63 65.86 2 0 23.62 -999 ? C7 PG5 J 166 >VAL^J 88 124.60 12.62 62.23 123.25 14.37 62.26 123.93 13.50 62.25 3 0 29.31 -999 ? C2 PG5 J 166 >LYS^J 89 125.64 11.04 58.88 129.34 10.78 53.78 127.49 10.91 56.33 2 0 31.69 -999 ? C2 PG5 J 166 >ALA^J 90 126.83 7.93 60.78 127.95 7.92 61.84 127.39 7.93 61.31 2 0 29.15 -999 ? C7 PG5 J 166 >ALA^J 91 123.55 7.85 62.76 123.02 9.02 63.63 123.28 8.43 63.19 2 0 31.05 -999 ? C7 PG5 J 166 >LEU^J 92 121.11 9.52 59.00 119.83 10.92 60.14 120.47 10.22 59.57 3 0 34.67 -999 ? C2 PG5 J 166 >ASN^J 93 122.54 4.33 57.50 122.25 3.32 59.36 122.40 3.83 58.43 2 0 36.58 -999 ? C7 PG5 J 166 >GLY^J 94 125.09 7.93 55.24 124.40 8.15 55.54 124.75 8.04 55.39 1 0 34.82 -999 ? C2 PG5 J 166 >ASP^J 95 120.83 9.56 54.21 121.06 8.54 52.43 120.94 9.05 53.32 2 0 38.69 -999 ? C2 PG5 J 166 >LEU^J 96 123.46 14.72 55.61 125.61 14.29 55.17 124.54 14.51 55.39 3 0 31.97 -999 ? C2 PG5 J 166 >SER^J 97 119.08 14.32 53.84 118.79 12.33 52.44 118.94 13.33 53.14 2 0 38.62 -999 ? C2 PG5 J 166 >LYS^J 98 117.17 12.43 56.61 117.51 6.62 54.43 117.34 9.52 55.52 2 0 41.02 -999 ? C2 PG5 J 166 >ILE^J 99 118.76 16.45 59.03 119.84 17.14 59.53 119.30 16.80 59.28 3 0 33.08 -999 ? C2 PG5 J 166 >ARG^J 100 111.62 14.13 60.35 108.98 14.80 58.93 110.30 14.46 59.64 2 0 38.45 -999 ? C1 PG5 L 166 >ARG^J 101 114.39 22.69 62.94 113.30 24.65 60.83 113.85 23.67 61.88 2 0 32.10 -999 ? C1 PG5 A 166 >VAL^J 102 118.21 20.65 63.84 120.30 21.10 63.45 119.25 20.88 63.64 3 0 30.24 -999 ? C2 PG5 J 166 >ILE^J 103 115.65 20.08 67.89 114.24 20.24 67.72 114.94 20.16 67.81 3 0 31.23 -999 ? O4 PG5 C 166 >LYS^J 104 118.92 22.55 69.39 118.82 24.13 74.69 118.87 23.34 72.04 2 0 24.02 -999 ? O4 PG5 C 166 >LEU^J 105 123.47 23.99 68.57 123.96 23.26 66.55 123.72 23.63 67.56 3 0 24.33 -999 ? C2 PG5 J 166 >ASN^J 106 124.14 23.01 74.21 122.06 22.72 74.66 123.10 22.87 74.43 2 0 23.50 -999 ? O4 PG5 C 166 >GLY^J 107 127.51 25.89 72.39 127.20 25.90 73.18 127.36 25.90 72.78 1 0 19.26 -999 ? O4 PG5 C 166 >PHE^J 108 129.05 23.76 76.14 126.76 22.29 76.72 127.90 23.02 76.43 3 0 18.52 -999 ? C7 PG5 J 166 >VAL^J 109 132.89 28.39 74.74 132.62 30.01 73.34 132.76 29.20 74.04 3 0 14.14 -999 ? C2 PG5 J 166 >ALA^J 110 136.01 28.25 76.96 137.24 27.35 76.74 136.62 27.80 76.85 2 0 9.42 -999 ? O2 PG5 J 166 >SER^J 111 136.14 31.94 78.06 133.90 32.11 77.01 135.02 32.02 77.54 2 0 11.10 -999 ? C7 PG5 C 166 >VAL^J 112 137.95 34.38 80.33 139.67 35.36 79.41 138.81 34.87 79.87 3 0 9.42 -999 ? C4 PG5 J 167 >PRO^J 113 136.52 35.38 84.32 135.92 35.90 82.24 136.22 35.64 83.28 3 0 8.03 -999 ? O3 PG5 C 166 >GLU^J 114 137.49 40.80 81.79 138.16 39.24 83.05 137.82 40.02 82.42 2 0 -6.13 -999 ? O3 PG5 C 166s >PHE^J 115 135.16 36.08 75.27 134.17 35.60 72.71 134.66 35.84 73.99 3 0 9.10 -999 ? O4 PG5 C 166 >VAL^J 116 131.24 38.17 76.46 131.11 40.03 77.65 131.18 39.10 77.05 3 0 4.82 -999 ? O4 PG5 C 166 >GLU^J 117 131.65 39.59 72.06 132.79 40.77 70.72 132.22 40.18 71.39 2 0 8.56 -999 ? C8 PG5 C 166 >GLN^J 118 130.63 32.80 75.39 130.74 34.53 76.65 130.69 33.67 76.02 2 0 9.19 -999 ? O4 PG5 C 166 >HIS^J 119 126.44 36.66 70.95 127.23 38.58 71.21 126.83 37.62 71.08 3 0 11.44 -999 ? O4 PG5 C 166 >LEU^J 120 130.32 36.69 67.97 129.50 38.75 67.72 129.91 37.72 67.85 3 0 12.84 -999 ? O4 PG5 C 166 >VAL^J 121 131.61 32.41 68.50 133.13 31.81 69.95 132.37 32.11 69.22 3 0 14.82 -999 ? O4 PG5 C 166 >ILE^J 122 127.71 29.57 69.28 128.11 28.26 69.61 127.91 28.92 69.45 3 0 17.88 -999 ? O4 PG5 C 166 >ASN^J 123 127.53 33.32 64.80 125.95 34.43 65.78 126.74 33.88 65.29 2 0 17.35 -999 ? O4 PG5 C 166 >GLY^J 124 130.42 30.00 63.35 129.65 29.74 63.66 130.04 29.87 63.51 1 0 19.79 -999 ? O1 PG5 J 166 >ALA^J 125 128.51 26.75 63.96 128.39 26.05 65.36 128.45 26.40 64.66 2 0 20.58 -999 ? C2 PG5 J 166 >SER^J 126 124.99 28.13 63.44 124.17 28.85 65.64 124.58 28.49 64.54 2 0 21.46 -999 ? O4 PG5 C 166 >ASN^J 127 126.90 30.97 59.95 126.31 32.79 60.89 126.60 31.88 60.42 2 0 21.95 -999 ? O4 PG5 C 166 >LEU^J 128 128.85 26.01 59.44 129.84 24.10 58.99 129.35 25.05 59.22 3 0 23.13 -999 ? O1 PG5 J 166 >ILE^J 129 124.21 24.05 61.19 124.26 22.57 61.38 124.23 23.31 61.28 3 0 26.44 -999 ? C2 PG5 J 166 >ALA^J 130 122.05 26.74 58.28 121.61 28.06 58.85 121.83 27.40 58.57 2 0 27.63 -999 ? O4 PG5 C 166 >THR^J 131 124.12 27.20 55.10 125.77 28.43 54.55 124.94 27.82 54.83 2 0 28.70 -999 ? O1 PG5 J 166 >VAL^J 132 124.58 23.49 54.34 126.26 22.71 55.54 125.42 23.10 54.94 3 0 29.11 -999 ? O1 PG5 J 166 >LEU^J 133 120.84 21.89 56.90 121.59 20.02 57.78 121.22 20.95 57.34 3 0 31.43 -999 ? C2 PG5 J 166 >GLY^J 134 119.02 25.35 54.56 119.10 24.97 55.29 119.06 25.16 54.93 1 0 31.34 -999 ? C1 PG5 A 166 >GLU^J 135 113.27 26.27 56.94 113.49 27.92 58.24 113.38 27.10 57.59 2 0 28.23 -999 ? C1 PG5 A 166 >PRO^J 136 115.55 21.50 56.12 115.85 23.06 57.74 115.70 22.28 56.93 3 0 33.48 -999 ? C1 PG5 A 166 >GLY^J 137 119.21 23.72 59.71 118.55 24.13 59.81 118.88 23.92 59.76 1 0 30.64 -999 ? O4 PG5 C 166 >ARG^J 138 116.34 29.32 59.33 114.75 31.68 60.45 115.54 30.50 59.89 2 0 26.45 -999 ? C1 PG5 A 166 >HIS^J 139 120.39 25.68 65.22 122.06 26.81 64.63 121.23 26.24 64.93 3 0 24.92 -999 ? O4 PG5 C 166 >ALA^J 140 117.22 26.82 68.86 116.25 26.25 69.85 116.74 26.54 69.35 2 0 25.41 -999 ? O4 PG5 C 166 >ARG^J 141 123.27 29.20 68.75 124.60 31.87 68.16 123.94 30.54 68.46 2 0 17.73 -999 ? O4 PG5 C 166 >ALA^J 142 122.29 28.26 73.97 122.17 27.43 75.18 122.23 27.85 74.58 2 0 19.38 -999 ? O4 PG5 C 166 >ALA^J 143 125.74 29.94 73.98 125.88 31.02 72.89 125.81 30.48 73.43 2 0 15.29 -999 ? O4 PG5 C 166 >VAL^J 144 127.61 30.03 77.28 126.31 28.42 78.03 126.96 29.22 77.65 3 0 15.15 -999 ? C7 PG5 C 166 >GLY^J 145 131.10 30.74 78.68 130.58 30.23 79.09 130.84 30.48 78.88 1 0 12.27 -999 ? C7 PG5 C 166 >MET?J 146 132.92 27.81 80.34 130.24 26.37 79.21 131.58 27.09 79.77 2 0 16.20 -999 ? C6 PG5 J 166 >ALA^J 147 135.96 27.81 82.69 136.03 27.17 84.07 136.00 27.49 83.38 2 0 11.46 -999 ? C6 PG5 J 166 >SER^J 148 137.62 25.20 80.43 138.41 24.19 82.50 138.02 24.69 81.47 2 0 8.19 -999 ? C6 PG5 J 166 >LEU^J 149 136.36 22.59 76.88 134.41 23.47 76.40 135.38 23.03 76.64 3 0 11.15 -999 ? C7 PG5 J 166 >PRO^J 150 135.94 17.91 77.95 137.77 19.21 77.73 136.86 18.56 77.84 3 0 10.21 -999 ? C7 PG5 J 166 >PHE^J 151 141.10 16.39 74.83 140.60 13.70 75.30 140.85 15.04 75.07 3 0 10.07 -999 ? C7 PG5 J 166 >ASN^J 152 143.22 22.73 76.28 143.62 24.78 76.84 143.42 23.76 76.56 2 0 -3.73 -999 ? O2 PG5 J 166s >ALA^J 153 139.20 22.70 73.36 137.99 21.84 73.20 138.59 22.27 73.28 2 0 10.27 -999 ? C7 PG5 J 166 >SER^J 154 138.13 26.31 72.87 140.09 27.40 72.00 139.11 26.86 72.44 2 0 7.14 -999 ? C2 PG5 J 166 >VAL^J 155 134.58 25.20 71.94 133.65 26.58 70.38 134.12 25.89 71.16 3 0 13.14 -999 ? C2 PG5 J 166 >GLU^J 156 131.92 20.07 73.89 132.00 19.16 75.79 131.96 19.62 74.84 2 0 14.99 -999 ? C7 PG5 J 166 >ILE^J 157 128.78 22.52 69.52 128.31 23.72 68.70 128.54 23.12 69.11 3 0 19.42 -999 ? C2 PG5 J 166 >ASP^J 158 125.97 18.50 72.71 124.62 19.48 73.95 125.30 18.99 73.33 2 0 22.42 -999 ? C7 PG5 J 166 >ALA^J 159 123.00 18.76 69.38 123.41 18.67 67.91 123.20 18.71 68.65 2 0 25.69 -999 ? C2 PG5 J 166 >ILE^J 160 118.44 17.76 70.28 117.69 17.44 71.50 118.06 17.60 70.89 3 0 29.76 -999 ? C7 PG5 J 166 >VAL^J 161 118.27 16.64 65.71 119.86 16.61 64.18 119.07 16.62 64.95 3 0 31.13 -999 ? C2 PG5 J 166 >GLU^J 162 112.35 15.51 64.14 110.69 16.76 63.70 111.52 16.14 63.92 2 0 37.72 -999 ? O4 PG5 C 166 >ILE^J 163 116.43 11.74 62.38 117.38 11.12 63.22 116.90 11.43 62.80 3 0 35.39 -999 ? C7 PG5 J 166 >ASP^J 164 113.72 10.06 58.18 112.32 11.29 57.20 113.02 10.67 57.69 2 0 41.69 -999 ? C2 PG5 J 166 >THR^K 2 123.12 113.73 51.95 124.78 114.91 51.13 123.95 114.32 51.54 2 0 50.51 -999 ? C1 PG5 K 166 >GLU^K 3 126.51 110.01 51.17 126.75 110.76 49.17 126.63 110.38 50.17 2 0 48.70 -999 ? C1 PG5 K 166 >ASN^K 4 120.42 109.40 54.42 121.88 108.49 55.68 121.15 108.95 55.05 2 0 45.59 -999 ? C1 PG5 K 166 >LEU^K 5 119.03 112.94 50.36 117.46 114.41 50.10 118.25 113.68 50.23 3 0 45.18 -999 ? C1 PG5 K 166 >TYR^K 6 122.46 108.58 46.42 123.28 107.17 44.13 122.87 107.88 45.27 3 0 43.29 -999 ? C1 PG5 K 166 >PHE^K 7 121.19 105.00 50.14 123.83 104.10 49.74 122.51 104.55 49.94 3 0 41.85 -999 ? C1 PG5 K 166 >GLN^K 8 113.92 109.22 50.76 113.42 111.22 51.40 113.67 110.22 51.08 2 0 40.78 -999 ? C1 PG5 K 166 >GLY^K 9 115.84 108.87 46.07 115.97 108.11 46.37 115.91 108.49 46.22 1 0 39.20 -999 ? C1 PG5 K 166 >MET?K 10 116.99 105.49 44.78 120.98 103.81 44.97 118.99 104.65 44.88 2 0 39.23 -999 ? C1 PG5 K 166 >SER^K 11 114.09 103.86 46.70 114.82 103.19 48.89 114.46 103.52 47.80 2 0 35.11 -999 ? C1 PG5 K 166 >ASP^K 12 111.80 107.91 45.33 111.31 108.78 47.24 111.55 108.35 46.29 2 0 36.60 -999 ? C1 PG5 K 166 >VAL^K 13 112.83 105.51 41.71 114.58 106.08 40.46 113.71 105.80 41.08 3 0 34.94 -999 ? C1 PG5 K 166 >ILE^K 14 113.11 100.90 43.39 113.98 99.92 43.87 113.55 100.41 43.63 3 0 31.25 -999 ? C1 PG5 K 166 >GLU^K 15 108.89 101.81 46.23 107.87 102.29 48.00 108.38 102.05 47.11 2 0 29.76 -999 ? C1 PG5 K 166 >GLY^K 16 107.98 104.60 40.98 108.30 103.85 40.92 108.14 104.22 40.95 1 0 30.44 -999 ? C1 PG5 K 166 >ARG^K 17 112.87 101.77 37.66 115.87 102.31 38.15 114.37 102.04 37.91 2 0 33.96 -999 ? C1 PG5 K 166 >LEU^K 18 106.93 99.05 41.33 106.32 97.10 41.97 106.63 98.08 41.65 3 0 24.53 -999 ? C1 PG5 K 166 >LYS^K 19 103.84 101.98 39.76 103.79 105.92 44.58 103.82 103.95 42.17 2 0 29.85 -999 ? C1 PG5 K 166 >GLU^K 20 106.28 104.46 35.88 108.12 105.12 35.04 107.20 104.79 35.46 2 0 31.20 -999 ? C1 PG5 K 166 >LEU^K 21 105.08 97.64 36.15 106.93 97.04 35.19 106.01 97.34 35.67 3 0 23.74 -999 ? C1 PG5 K 166 >GLY^K 22 100.72 99.07 37.39 101.32 98.90 37.89 101.02 98.99 37.64 1 0 21.97 -999 ? C1 PG5 K 166 >PHE^K 23 102.11 95.61 40.01 101.54 93.61 38.17 101.83 94.61 39.09 3 0 18.70 -999 ? C1 PG5 K 166 >THR^K 24 101.70 99.52 44.35 99.81 100.48 44.75 100.76 100.00 44.55 2 0 23.40 -999 ? C1 PG5 K 166 >LEU^K 25 104.78 98.11 47.91 106.81 97.64 47.25 105.79 97.87 47.58 3 0 25.12 -999 ? C1 PG5 K 166 >PRO^K 26 101.76 94.01 49.03 101.52 96.24 49.24 101.64 95.13 49.14 3 0 21.39 -999 ? C1 PG5 K 166 >ASN^K 34 105.95 79.14 64.77 105.31 79.18 66.80 105.63 79.16 65.78 2 0 25.29 -999 ? C8 PG5 K 166 >TYR^K 35 106.05 80.30 58.94 103.45 80.23 57.96 104.75 80.26 58.45 3 0 19.35 -999 ? C8 PG5 K 166 >VAL^K 36 108.38 84.69 59.55 110.07 84.95 60.94 109.23 84.82 60.24 3 0 25.41 -999 ? C8 PG5 K 166 >PRO^K 37 107.21 88.27 57.39 108.17 86.30 56.84 107.69 87.29 57.11 3 0 24.04 -999 ? C8 PG5 K 166 >PHE^K 38 112.05 89.42 56.28 111.54 91.67 57.84 111.79 90.55 57.06 3 0 28.85 -999 ? C8 PG5 K 166 >THR^K 39 115.27 86.24 57.97 115.20 84.09 58.27 115.23 85.17 58.12 2 0 28.98 -999 ? C8 PG5 K 166 >ILE^K 40 118.84 89.29 57.92 119.01 90.67 57.51 118.93 89.98 57.72 3 0 34.36 -999 ? C8 PG5 K 166 >SER^K 41 122.06 86.04 57.95 123.36 84.04 58.26 122.71 85.04 58.11 2 0 36.15 -999 ? C8 PG5 K 166 >GLY^K 42 125.08 88.27 57.37 124.22 88.38 57.22 124.65 88.32 57.29 1 0 38.82 -999 ? C8 PG5 K 166 >ASN^K 43 125.26 91.00 53.48 126.52 89.82 52.25 125.89 90.41 52.86 2 0 39.52 -999 ? C1 PG5 K 166 >LEU^K 44 122.15 86.26 52.57 123.25 85.80 50.72 122.70 86.03 51.65 3 0 34.68 -999 ? C8 PG5 K 166 >LEU^K 45 117.46 89.54 52.65 115.59 90.46 53.35 116.52 90.00 53.00 3 0 31.10 -999 ? C1 PG5 K 166 >TYR^K 46 117.34 83.09 53.35 119.59 81.73 52.48 118.47 82.41 52.92 3 0 29.78 -999 ? C8 PG5 K 166 >VAL^K 47 112.31 85.86 51.93 111.69 87.65 50.79 112.00 86.76 51.36 3 0 25.41 -999 ? C8 PG5 K 166 >SER^K 48 109.57 83.23 52.52 109.23 83.03 54.88 109.40 83.13 53.70 2 0 22.26 -999 ? C8 PG5 K 166 >GLY^K 49 107.44 81.94 49.61 107.30 82.47 50.24 107.37 82.20 49.93 1 0 18.90 -999 ? C8 PG5 K 166 >GLN^K 50 106.61 86.68 49.09 105.79 87.01 51.04 106.20 86.85 50.07 2 0 20.56 -999 ? C8 PG5 K 166 >LEU^K 51 100.54 83.49 47.90 100.69 81.47 48.86 100.62 82.48 48.38 3 0 13.34 -999 ? C8 PG5 K 166 >PRO^K 52 99.04 84.28 43.45 100.11 85.67 44.81 99.58 84.97 44.13 3 0 11.50 -999 ? C1 PG5 K 166 >MET?K 53 98.26 88.52 47.01 97.64 86.46 49.30 97.95 87.49 48.15 2 0 13.98 -999 ? C1 PG5 K 166 >GLU^K 54 95.92 92.88 43.65 95.68 92.79 41.55 95.80 92.84 42.60 2 0 14.25 -999 ? C1 PG5 K 166 >SER^K 55 94.05 93.62 48.02 93.09 94.74 46.06 93.57 94.18 47.04 2 0 16.69 -999 ? C1 PG5 K 166 >GLY^K 56 94.46 90.99 50.74 94.28 90.82 50.02 94.37 90.91 50.38 1 0 16.54 -999 ? C1 PG5 K 166 >LYS^K 57 93.29 88.09 48.51 88.23 90.83 48.16 90.76 89.46 48.33 2 0 14.42 -999 ? C1 PG5 K 166 >ILE^K 58 94.96 83.82 46.65 96.39 83.49 46.80 95.67 83.66 46.72 3 0 9.83 -999 ? C1 PG5 K 166 >ALA^K 59 94.40 86.92 42.97 95.28 88.08 42.48 94.84 87.50 42.73 2 0 10.14 -999 ? C1 PG5 K 166 >VAL^K 60 95.12 83.90 40.78 96.28 84.41 39.01 95.70 84.15 39.89 3 0 6.83 -999 ? C1 PG5 K 166 >THR^K 61 94.17 80.33 41.75 92.50 80.78 43.03 93.34 80.55 42.39 2 0 -4.32 -999 ? C1 PG5 K 166s >GLY^K 62 94.18 76.88 40.19 94.89 77.28 40.24 94.54 77.08 40.22 1 0 -3.57 -999 ? C3 PG5 K 166s >LEU^K 63 96.27 73.37 37.75 96.48 71.87 39.31 96.38 72.62 38.53 3 0 7.38 -999 ? C3 PG5 K 166 >VAL^K 64 98.29 76.38 34.95 99.85 77.89 34.90 99.07 77.14 34.92 3 0 9.90 -999 ? C1 PG5 K 166 >GLY^K 65 97.18 74.42 31.88 96.65 74.62 32.47 96.91 74.52 32.18 1 0 8.42 -999 ? O3 PG5 E 166 >ARG^K 66 92.25 71.02 35.92 89.72 69.65 34.80 90.99 70.33 35.36 2 0 -3.42 -999 ? O3 PG5 E 166s >ASP^K 67 92.33 76.64 36.84 91.63 74.82 37.60 91.98 75.73 37.22 2 0 3.72 -999 ? C4 PG5 K 166 >VAL^K 68 94.77 79.43 34.33 95.57 80.56 36.04 95.17 80.00 35.18 3 0 6.19 -999 ? C1 PG5 K 166 >ASP^K 69 95.99 80.83 29.84 95.50 82.91 30.01 95.74 81.87 29.93 2 0 11.02 -999 ? C1 PG5 K 166 >VAL^K 70 100.21 81.49 30.77 102.00 80.87 29.63 101.11 81.18 30.20 3 0 12.66 -999 ? C8 PG5 I 166 >ALA^K 71 99.21 85.20 30.65 98.31 85.82 29.58 98.76 85.51 30.11 2 0 13.87 -999 ? C1 PG5 K 166 >SER^K 72 97.17 84.93 33.86 94.88 84.60 33.20 96.02 84.77 33.53 2 0 8.96 -999 ? C1 PG5 K 166 >ALA^K 73 99.93 82.89 35.54 100.42 81.51 35.12 100.17 82.20 35.33 2 0 10.86 -999 ? C1 PG5 K 166 >GLN^K 74 103.59 85.09 32.32 103.77 85.52 30.24 103.68 85.31 31.28 2 0 16.49 -999 ? C8 PG5 I 166 >ARG^K 75 99.02 91.02 36.74 99.05 93.07 34.35 99.04 92.05 35.55 2 0 16.61 -999 ? C1 PG5 K 166 >ALA^K 76 100.31 85.70 39.33 99.89 84.19 39.30 100.10 84.95 39.32 2 0 10.35 -999 ? C1 PG5 K 166 >ALA^K 77 104.13 85.67 39.21 104.97 85.12 38.12 104.55 85.39 38.66 2 0 15.44 -999 ? C1 PG5 K 166 >GLU^K 78 104.05 90.27 36.60 102.91 91.28 35.14 103.48 90.77 35.87 2 0 17.44 -999 ? C1 PG5 K 166 >LEU^K 79 100.60 89.20 42.32 98.85 90.41 41.80 99.73 89.81 42.06 3 0 13.92 -999 ? C1 PG5 K 166 >CYH^K 80 104.35 87.16 43.94 103.48 84.53 43.41 103.91 85.84 43.68 2 0 14.39 -999 ? C1 PG5 K 166 >ALA^K 81 107.30 89.43 42.95 107.78 89.71 41.53 107.54 89.57 42.24 2 0 20.04 -999 ? C1 PG5 K 166 >VAL^K 82 105.50 92.55 44.23 103.90 93.86 43.49 104.70 93.20 43.86 3 0 20.08 -999 ? C1 PG5 K 166 >ASN^K 83 103.97 89.56 47.74 101.90 90.09 47.78 102.94 89.82 47.76 2 0 17.56 -999 ? C1 PG5 K 166 >ILE^K 84 109.45 88.99 46.60 110.26 87.95 46.09 109.86 88.47 46.34 3 0 22.33 -999 ? C1 PG5 K 166 >LEU^K 85 109.28 94.25 45.92 110.56 94.30 44.13 109.92 94.27 45.02 3 0 24.90 -999 ? C1 PG5 K 166 >ALA^K 86 107.10 94.38 49.97 105.63 93.98 50.05 106.37 94.18 50.01 2 0 23.38 -999 ? C1 PG5 K 166 >GLN^K 87 107.55 89.92 52.30 106.46 90.20 54.11 107.01 90.06 53.21 2 0 23.93 -999 ? C8 PG5 K 166 >VAL^K 88 112.34 93.26 51.26 113.73 92.77 49.64 113.04 93.01 50.45 3 0 28.40 -999 ? C1 PG5 K 166 >LYS^K 89 111.29 96.88 51.81 107.50 101.81 50.94 109.40 99.34 51.37 2 0 30.18 -999 ? C1 PG5 K 166 >ALA^K 90 110.12 95.99 55.35 108.97 95.07 55.69 109.54 95.53 55.52 2 0 29.04 -999 ? C1 PG5 K 166 >ALA^K 91 113.37 94.03 55.96 113.87 92.91 55.07 113.62 93.47 55.51 2 0 31.08 -999 ? C1 PG5 K 166 >LEU^K 92 115.81 97.21 53.40 117.12 95.84 52.38 116.46 96.53 52.89 3 0 33.74 -999 ? C1 PG5 K 166 >ASN^K 93 114.43 100.03 57.99 114.68 98.56 59.55 114.55 99.29 58.77 2 0 36.70 -999 ? C1 PG5 K 166 >GLY^K 94 111.78 101.26 53.99 112.49 100.91 53.83 112.13 101.08 53.91 1 0 33.63 -999 ? C1 PG5 K 166 >ASP^K 95 116.03 101.78 52.40 116.77 103.59 51.61 116.40 102.68 52.00 2 0 37.54 -999 ? C1 PG5 K 166 >LEU^K 96 113.53 99.06 47.48 111.83 97.67 47.50 112.68 98.36 47.49 3 0 30.08 -999 ? C1 PG5 K 166 >SER^K 97 117.96 100.86 47.49 118.51 102.83 48.84 118.24 101.84 48.17 2 0 37.51 -999 ? C1 PG5 K 166 >LYS^K 98 119.71 98.74 50.15 119.19 102.44 54.13 119.45 100.59 52.14 2 0 39.45 -999 ? C1 PG5 K 166 >ILE^K 99 118.12 95.47 46.74 117.00 94.70 46.26 117.56 95.09 46.50 3 0 31.90 -999 ? C1 PG5 K 166 >ARG^K 100 125.42 94.74 49.24 127.36 95.84 47.07 126.39 95.29 48.15 2 0 40.92 -999 ? C1 PG5 K 166 >ARG^K 101 122.68 90.00 41.83 123.45 91.57 39.32 123.07 90.78 40.58 2 0 32.51 -999 ? C7 PG5 I 166 >VAL^K 102 118.71 89.61 43.89 116.61 89.79 43.36 117.66 89.70 43.62 3 0 29.20 -999 ? C1 PG5 K 166 >ILE^K 103 121.32 85.87 45.56 122.73 85.92 45.22 122.02 85.89 45.39 3 0 31.18 -999 ? C7 PG5 I 166 >LYS^K 104 118.04 83.69 43.55 118.13 78.20 43.35 118.09 80.94 43.45 2 0 23.91 -999 ? C7 PG5 I 166 >LEU^K 105 113.47 84.11 41.94 112.91 86.23 42.14 113.19 85.17 42.04 3 0 23.43 -999 ? C1 PG5 K 166 >ASN^K 106 112.81 78.95 44.46 114.89 78.63 44.89 113.85 78.79 44.68 2 0 23.55 -999 ? C7 PG5 I 166 >GLY^K 107 109.48 79.90 41.18 109.79 79.15 41.38 109.63 79.52 41.28 1 0 19.00 -999 ? C1 PG5 K 166 >PHE^K 108 107.99 76.85 44.26 110.30 76.57 45.74 109.14 76.71 45.00 3 0 18.76 -999 ? O4 PG5 K 166 >VAL^K 109 104.08 76.96 39.43 104.35 77.84 37.46 104.21 77.40 38.44 3 0 13.76 -999 ? C3 PG5 K 166 >ALA^K 110 100.94 74.82 40.15 99.70 75.23 40.97 100.32 75.03 40.56 2 0 9.18 -999 ? C3 PG5 K 166 >SER^K 111 100.84 72.79 36.93 103.06 73.77 36.49 101.95 73.28 36.71 2 0 11.22 -999 ? C6 PG5 I 166 >VAL^K 112 99.02 69.96 35.19 97.33 70.55 33.97 98.18 70.25 34.58 3 0 9.51 -999 ? O3 PG5 E 166 >PRO^K 113 100.44 65.80 35.33 100.99 67.71 34.24 100.71 66.76 34.78 3 0 8.23 -999 ? C5 PG5 I 166 >GLU^K 114 99.42 66.90 29.34 98.79 66.07 31.17 99.10 66.48 30.26 2 0 6.32 -999 ? C5 PG5 I 166 >PHE^K 115 101.77 74.45 32.13 102.74 77.01 31.95 102.25 75.73 32.04 3 0 9.13 -999 ? C7 PG5 I 166 >VAL^K 116 105.72 72.68 30.46 105.85 71.07 29.01 105.79 71.87 29.73 3 0 4.82 -999 ? C7 PG5 I 166 >GLU^K 117 105.31 76.64 27.92 103.95 77.47 26.55 104.63 77.06 27.23 2 0 7.72 -999 ? C8 PG5 I 166 >GLN^K 118 106.31 75.19 35.37 106.19 73.51 34.06 106.25 74.35 34.71 2 0 9.23 -999 ? C7 PG5 I 166 >HIS^K 119 110.46 78.41 30.44 109.69 77.63 28.65 110.07 78.02 29.54 3 0 11.38 -999 ? C7 PG5 I 166 >LEU^K 120 106.56 81.25 29.65 107.33 81.00 27.64 106.95 81.13 28.65 3 0 12.39 -999 ? C8 PG5 I 166 >VAL^K 121 105.26 81.98 33.91 103.73 80.74 34.86 104.50 81.36 34.39 3 0 14.87 -999 ? C1 PG5 K 166 >ILE^K 122 109.21 81.96 36.82 108.82 81.91 38.20 109.02 81.93 37.51 3 0 17.88 -999 ? C7 PG5 I 166 >ASN^K 123 109.30 85.23 31.95 110.90 84.04 31.12 110.10 84.64 31.54 2 0 17.28 -999 ? C8 PG5 I 166 >GLY^K 124 106.43 87.46 34.88 107.19 87.27 35.16 106.81 87.36 35.02 1 0 18.21 -999 ? C1 PG5 K 166 >ALA^K 125 108.37 87.85 38.16 108.52 86.75 39.22 108.45 87.30 38.69 2 0 19.29 -999 ? C1 PG5 K 166 >SER^K 126 111.88 87.96 36.62 112.71 85.66 36.52 112.30 86.81 36.57 2 0 21.43 -999 ? C7 PG5 I 166 >ASN^K 127 109.97 90.53 32.99 110.53 89.12 31.49 110.25 89.82 32.24 2 0 21.58 -999 ? C8 PG5 I 166 >LEU^K 128 108.00 92.41 37.59 107.07 93.30 39.37 107.54 92.85 38.48 3 0 21.50 -999 ? C1 PG5 K 166 >ILE^K 129 112.65 91.16 39.93 112.62 91.45 41.33 112.63 91.31 40.63 3 0 24.97 -999 ? C1 PG5 K 166 >ALA^K 130 114.81 93.26 36.61 115.18 92.36 35.46 115.00 92.81 36.03 2 0 27.52 -999 ? C7 PG5 I 166 >THR^K 131 112.72 96.17 35.30 111.04 96.38 33.98 111.88 96.27 34.64 2 0 26.95 -999 ? C1 PG5 K 166 >VAL^K 132 112.29 97.90 38.67 110.64 96.95 39.75 111.46 97.42 39.21 3 0 27.41 -999 ? C1 PG5 K 166 >LEU^K 133 116.08 95.92 40.91 115.30 95.61 42.94 115.69 95.76 41.93 3 0 29.94 -999 ? C1 PG5 K 166 >GLY^K 134 117.89 97.27 36.89 117.82 96.67 37.46 117.86 96.97 37.18 1 0 32.58 -999 ? C1 PG5 K 166 >GLU^K 135 122.71 96.03 34.95 122.58 94.31 33.72 122.65 95.17 34.34 2 0 32.29 -999 ? C7 PG5 I 166 >PRO^K 136 121.52 96.69 40.91 121.06 94.74 39.88 121.29 95.72 40.39 3 0 34.67 -999 ? C1 PG5 K 166 >GLY^K 137 117.61 92.75 39.82 118.30 92.53 39.49 117.96 92.64 39.66 1 0 30.04 -999 ? C1 PG5 K 166 >ARG^K 138 119.91 91.13 33.97 122.38 89.98 32.47 121.14 90.55 33.22 2 0 28.57 -999 ? C7 PG5 I 166 >HIS^K 139 116.52 86.89 39.38 114.85 87.24 38.17 115.69 87.07 38.77 3 0 24.89 -999 ? C7 PG5 I 166 >ALA^K 140 119.69 83.06 39.32 120.65 82.28 40.16 120.17 82.67 39.74 2 0 25.37 -999 ? C7 PG5 I 166 >ARG^K 141 113.62 82.56 37.10 112.30 82.51 34.36 112.96 82.53 35.73 2 0 17.81 -999 ? C7 PG5 I 166 >ALA^K 142 114.66 77.73 39.27 114.81 76.74 40.42 114.73 77.24 39.85 2 0 19.33 -999 ? C7 PG5 I 166 >ALA^K 143 111.22 77.31 37.68 111.04 78.10 36.36 111.13 77.70 37.02 2 0 15.27 -999 ? C7 PG5 I 166 >VAL^K 144 109.33 74.08 38.47 110.64 73.81 40.17 109.99 73.95 39.32 3 0 15.10 -999 ? C7 PG5 I 166 >GLY^K 145 105.89 72.52 38.23 106.41 72.22 38.81 106.15 72.37 38.52 1 0 12.36 -999 ? C6 PG5 I 166 >MET?K 146 104.08 71.70 41.47 106.75 73.19 42.56 105.42 72.44 42.01 2 0 16.29 -999 ? O4 PG5 K 166 >ALA^K 147 101.02 69.48 42.10 101.00 68.23 42.96 101.01 68.85 42.53 2 0 11.56 -999 ? C6 PG5 K 166 >SER^K 148 99.33 72.33 44.02 98.65 70.50 45.51 98.99 71.42 44.76 2 0 8.26 -999 ? O4 PG5 K 166 >LEU^K 149 100.61 76.45 45.55 102.51 76.66 44.51 101.56 76.55 45.03 3 0 11.38 -999 ? O4 PG5 K 166 >PRO^K 150 100.96 76.70 50.40 99.18 76.50 49.05 100.07 76.60 49.73 3 0 10.27 -999 ? C8 PG5 K 166 >PHE^K 151 95.90 80.07 51.06 96.53 80.31 53.78 96.21 80.19 52.42 3 0 10.13 -999 ? C8 PG5 K 166 >ASN^K 152 93.70 77.00 45.29 93.25 75.91 43.49 93.48 76.46 44.39 2 0 -3.80 -999 ? O2 PG5 K 166s >ALA^K 153 97.71 79.77 44.55 98.86 80.32 45.34 98.29 80.05 44.95 2 0 10.11 -999 ? C3 PG5 K 166 >SER^K 154 98.80 79.30 40.91 96.86 79.89 39.62 97.83 79.59 40.26 2 0 6.30 -999 ? C1 PG5 K 166 >VAL^K 155 102.37 80.50 41.73 103.31 81.64 40.03 102.84 81.07 40.88 3 0 12.45 -999 ? C1 PG5 K 166 >GLU^K 156 105.11 80.03 47.24 104.96 78.44 48.65 105.03 79.24 47.94 2 0 15.19 -999 ? C8 PG5 K 166 >ILE^K 157 108.12 83.57 43.67 108.53 84.09 42.32 108.33 83.83 42.99 3 0 18.60 -999 ? C1 PG5 K 166 >ASP^K 158 111.04 81.56 48.32 112.39 80.07 47.63 111.71 80.82 47.98 2 0 22.69 -999 ? C8 PG5 K 166 >ALA^K 159 113.91 84.79 47.19 113.49 86.24 46.86 113.70 85.51 47.03 2 0 25.00 -999 ? C1 PG5 K 166 >ILE^K 160 118.51 84.16 48.38 119.32 83.12 48.94 118.92 83.64 48.66 3 0 30.03 -999 ? C8 PG5 K 166 >VAL^K 161 118.63 88.90 48.25 117.04 90.43 47.91 117.83 89.66 48.08 3 0 30.32 -999 ? C1 PG5 K 166 >GLU^K 162 124.60 90.63 48.81 126.13 90.77 47.37 125.37 90.70 48.09 2 0 37.49 -999 ? C7 PG5 I 166 >ILE^K 163 120.43 93.47 51.99 119.49 92.82 52.82 119.96 93.15 52.40 3 0 34.88 -999 ? C1 PG5 K 166 >ASP^K 164 123.49 97.96 51.79 124.49 98.19 49.97 123.99 98.07 50.88 2 0 40.08 -999 ? C1 PG5 K 166 >VAL^K 165 124.00 95.78 56.02 123.69 93.62 55.79 123.84 94.70 55.91 3 0 40.10 -999 ? C1 PG5 K 166 >THR^L 2 61.32 15.98 36.49 60.58 14.86 34.77 60.95 15.42 35.63 2 0 50.18 -999 ? O1 PG5 L 166 >GLU^L 3 60.27 20.25 33.20 58.76 20.43 31.71 59.52 20.34 32.45 2 0 48.78 -999 ? O1 PG5 L 166 >ASN^L 4 60.84 21.09 38.03 61.01 22.85 39.27 60.93 21.97 38.65 2 0 43.40 -999 ? O1 PG5 L 166 >LEU^L 5 64.07 16.87 39.13 64.60 15.73 40.92 64.33 16.30 40.03 3 0 45.41 -999 ? O1 PG5 L 166 >TYR^L 6 67.38 18.48 33.46 69.38 18.96 31.58 68.38 18.72 32.52 3 0 43.38 -999 ? O1 PG5 L 166 >PHE^L 7 65.68 23.61 34.30 65.44 24.12 31.56 65.56 23.86 32.93 3 0 41.50 -999 ? O1 PG5 L 166 >GLN^L 8 66.83 21.43 42.29 65.58 20.23 43.55 66.20 20.83 42.92 2 0 41.11 -999 ? O1 PG5 L 166 >GLY^L 9 70.17 19.65 39.17 70.08 20.44 38.89 70.13 20.05 39.03 1 0 39.49 -999 ? O1 PG5 L 166 >MET?L 10 71.90 21.93 36.66 70.81 22.50 32.56 71.36 22.22 34.61 2 0 39.28 -999 ? O1 PG5 L 166 >SER^L 11 71.66 24.82 39.15 69.63 26.06 38.75 70.65 25.44 38.95 2 0 35.30 -999 ? O1 PG5 L 166 >ASP^L 12 72.77 21.29 42.37 70.98 21.32 43.53 71.88 21.30 42.95 2 0 36.82 -999 ? O1 PG5 L 166 >VAL^L 13 76.13 21.86 39.48 76.43 20.48 37.80 76.28 21.17 38.64 3 0 35.02 -999 ? C1 PG5 L 166 >ILE^L 14 75.68 26.56 38.00 75.15 27.37 36.96 75.42 26.97 37.48 3 0 31.47 -999 ? O1 PG5 L 166 >GLU^L 15 74.48 27.74 42.83 73.09 28.27 44.33 73.79 28.01 43.58 2 0 30.11 -999 ? O1 PG5 L 166 >GLY^L 16 78.82 23.60 43.25 78.97 24.19 42.71 78.90 23.89 42.98 1 0 30.56 -999 ? C1 PG5 L 166 >ARG^L 17 80.44 23.88 37.07 79.02 22.74 34.60 79.73 23.31 35.84 2 0 33.92 -999 ? C1 PG5 L 166 >LEU^L 18 80.27 29.04 42.21 80.45 31.21 42.21 80.36 30.13 42.21 3 0 24.73 -999 ? C1 PG5 L 166 >LYS^L 19 82.09 26.59 45.62 76.88 24.86 48.68 79.48 25.72 47.15 2 0 30.02 -999 ? C1 PG5 L 166 >GLU^L 20 84.19 22.30 43.29 83.88 21.09 41.59 84.04 21.70 42.44 2 0 30.94 -999 ? C1 PG5 L 166 >LEU^L 21 85.91 28.88 41.98 86.26 28.55 39.89 86.08 28.72 40.93 3 0 23.59 -999 ? C1 PG5 L 166 >GLY^L 22 86.10 29.15 46.69 85.48 29.35 46.23 85.79 29.25 46.46 1 0 21.82 -999 ? C1 PG5 L 166 >PHE^L 23 84.11 32.89 44.93 86.49 34.11 44.21 85.30 33.50 44.57 3 0 18.74 -999 ? C1 PG5 L 166 >THR^L 24 79.48 31.01 47.93 79.70 30.66 50.07 79.59 30.83 49.00 2 0 23.68 -999 ? O1 PG5 L 166 >LEU^L 25 75.51 32.78 45.71 75.53 32.40 43.55 75.52 32.59 44.63 3 0 25.35 -999 ? O1 PG5 L 166 >PRO^L 26 76.63 37.57 47.22 76.02 35.72 48.30 76.32 36.64 47.76 3 0 21.70 -999 ? O1 PG5 L 166 >VAL^L 27 72.04 36.96 49.39 71.63 37.26 51.50 71.84 37.11 50.44 3 0 25.12 -999 ? O1 PG5 L 166 >ALA^L 32 64.94 49.47 48.34 63.94 49.65 49.51 64.44 49.56 48.93 2 0 25.63 -999 ? O4 PG5 L 166 >ALA^L 33 65.68 52.15 45.68 67.22 52.13 45.49 66.45 52.14 45.58 2 0 22.09 -999 ? O4 PG5 L 166 >ASN^L 34 64.63 55.51 42.33 63.09 56.29 43.58 63.86 55.90 42.95 2 0 25.83 -999 ? O4 PG5 L 166 >TYR^L 35 69.62 52.40 41.34 71.45 52.69 43.40 70.53 52.54 42.37 3 0 19.68 -999 ? O4 PG5 L 166 >VAL^L 36 67.03 48.07 40.82 65.12 47.87 39.78 66.08 47.97 40.30 3 0 25.81 -999 ? O4 PG5 L 166 >PRO^L 37 68.74 44.71 42.84 69.08 45.71 40.88 68.91 45.21 41.86 3 0 24.18 -999 ? O4 PG5 L 166 >PHE^L 38 67.44 41.65 38.36 65.62 40.38 40.03 66.53 41.02 39.20 3 0 29.17 -999 ? O4 PG5 L 166 >THR^L 39 65.49 44.37 34.82 65.77 46.43 34.22 65.63 45.40 34.52 2 0 29.27 -999 ? O4 PG5 L 166 >ILE^L 40 63.42 40.68 32.66 63.37 39.30 32.98 63.40 39.99 32.82 3 0 34.64 -999 ? O4 PG5 L 166 >SER^L 41 63.01 42.85 28.69 62.81 44.43 26.91 62.91 43.64 27.80 2 0 36.32 -999 ? O4 PG5 L 166 >GLY^L 42 61.90 39.88 26.63 62.28 39.93 27.37 62.09 39.90 27.00 1 0 39.00 -999 ? O4 PG5 L 166 >ASN^L 43 64.53 35.93 26.37 65.60 36.18 24.55 65.06 36.06 25.46 2 0 39.66 -999 ? O1 PG5 L 166 >LEU^L 44 67.70 40.74 27.10 69.06 40.29 25.37 68.38 40.51 26.23 3 0 34.88 -999 ? O4 PG5 L 166 >LEU^L 45 68.53 39.05 32.61 68.39 38.95 34.81 68.46 39.00 33.71 3 0 31.33 -999 ? O4 PG5 L 166 >TYR^L 46 69.63 45.04 30.56 69.84 45.42 27.83 69.74 45.23 29.19 3 0 29.96 -999 ? O4 PG5 L 166 >VAL^L 47 72.12 43.28 35.63 72.86 41.45 36.54 72.49 42.36 36.09 3 0 25.61 -999 ? O4 PG5 L 166 >SER^L 48 73.19 46.54 37.34 71.23 47.67 38.22 72.21 47.10 37.78 2 0 22.60 -999 ? O4 PG5 L 166 >GLY^L 49 76.91 47.25 37.88 76.30 47.03 38.41 76.60 47.14 38.14 1 0 19.12 -999 ? O4 PG5 L 166 >GLN^L 50 76.52 42.99 40.19 75.04 43.64 41.53 75.78 43.31 40.86 2 0 20.78 -999 ? O4 PG5 L 166 >LEU^L 51 80.65 46.89 44.19 80.33 49.00 43.65 80.49 47.95 43.92 3 0 13.54 -999 ? O4 PG5 L 166 >PRO^L 52 85.02 45.11 44.60 83.09 43.99 44.47 84.05 44.55 44.53 3 0 11.78 -999 ? O1 PG5 L 166 >MET?L 53 81.11 42.67 47.72 79.68 45.52 48.18 80.39 44.09 47.95 2 0 14.46 -999 ? O1 PG5 L 166 >GLU^L 54 83.90 38.25 50.28 85.95 37.76 50.12 84.92 38.01 50.20 2 0 14.28 -999 ? C1 PG5 L 166 >SER^L 55 80.47 39.55 53.56 82.07 37.93 54.34 81.27 38.74 53.95 2 0 17.28 -999 ? O1 PG5 L 166 >GLY^L 56 78.56 42.78 53.02 79.33 42.74 52.90 78.94 42.76 52.96 1 0 16.91 -999 ? O1 PG5 L 166 >LYS^L 57 81.71 44.89 52.59 82.69 41.78 56.93 82.20 43.34 54.76 2 0 15.50 -999 ? O1 PG5 L 166 >ILE^L 58 83.73 47.64 49.00 83.10 47.68 47.59 83.42 47.66 48.29 3 0 10.29 -999 ? O1 PG5 L 166 >ALA^L 59 86.52 43.72 49.67 86.34 42.24 49.31 86.43 42.98 49.49 2 0 10.45 -999 ? O1 PG5 L 166 >VAL^L 60 88.97 45.38 47.24 89.98 43.98 45.89 89.47 44.68 46.57 3 0 7.10 -999 ? O1 PG5 L 166 >THR^L 61 89.33 49.19 47.05 88.60 49.60 49.04 88.96 49.39 48.04 2 0 -4.82 -999 ? O1 PG5 L 166s >GLY^L 62 91.52 51.79 45.38 91.15 51.24 44.89 91.33 51.51 45.14 1 0 4.12 -999 ? C3 PG5 L 166 >LEU^L 63 93.87 53.54 41.64 92.78 55.45 41.36 93.33 54.49 41.50 3 0 7.17 -999 ? C4 PG5 L 166 >VAL^L 64 94.80 49.30 40.12 93.97 47.47 39.22 94.38 48.39 39.67 3 0 9.58 -999 ? C1 PG5 L 166 >GLY^L 65 98.45 50.24 39.54 98.07 50.41 40.25 98.26 50.33 39.89 1 0 8.43 -999 ? C4 PG5 A 166 >ARG^L 66 97.66 55.89 43.88 99.89 57.45 45.35 98.77 56.67 44.61 2 0 -3.81 -999 ? C4 PG5 A 166s >ASP^L 67 95.28 51.26 46.00 95.32 53.35 46.22 95.30 52.30 46.11 2 0 -3.60 -999 ? O2 PG5 L 166s >VAL^L 68 96.06 47.20 44.21 93.84 47.27 44.21 94.95 47.23 44.21 3 0 5.36 -999 ? C1 PG5 L 166 >ASP^L 69 99.15 44.04 42.40 98.65 42.36 43.59 98.90 43.20 43.00 2 0 9.68 -999 ? C1 PG5 L 166 >VAL^L 70 96.61 42.76 39.04 97.10 42.46 36.93 96.86 42.61 37.99 3 0 13.08 -999 ? C8 PG5 G 166 >ALA^L 71 96.12 39.65 41.22 97.21 38.90 42.01 96.66 39.27 41.61 2 0 12.77 -999 ? C1 PG5 L 166 >SER^L 72 94.13 41.54 43.85 95.62 42.15 45.59 94.87 41.84 44.72 2 0 7.91 -999 ? C1 PG5 L 166 >ALA^L 73 92.09 43.28 41.12 92.67 44.23 40.07 92.38 43.76 40.60 2 0 10.54 -999 ? C1 PG5 L 166 >GLN^L 74 93.08 39.21 37.76 94.74 37.99 37.21 93.91 38.60 37.49 2 0 16.36 -999 ? C1 PG5 L 166 >ARG^L 75 89.30 36.73 45.20 90.88 34.01 45.12 90.09 35.37 45.16 2 0 16.07 -999 ? C1 PG5 L 166 >ALA^L 76 87.78 41.97 42.85 88.27 43.43 42.70 88.02 42.70 42.78 2 0 10.58 -999 ? O1 PG5 L 166 >ALA^L 77 86.60 40.98 39.37 87.46 40.88 38.12 87.03 40.93 38.74 2 0 15.53 -999 ? C1 PG5 L 166 >GLU^L 78 87.81 35.90 40.32 89.27 34.73 41.34 88.54 35.32 40.83 2 0 17.23 -999 ? C1 PG5 L 166 >LEU^L 79 84.21 39.78 44.62 84.99 38.99 46.48 84.60 39.38 45.55 3 0 14.24 -999 ? O1 PG5 L 166 >CYH^L 80 81.88 41.30 40.97 83.35 43.71 40.75 82.62 42.50 40.86 2 0 14.57 -999 ? O1 PG5 L 166 >ALA^L 81 81.09 38.15 38.92 82.16 37.29 38.23 81.63 37.72 38.58 2 0 20.21 -999 ? O1 PG5 L 166 >VAL^L 82 79.82 36.30 42.03 80.74 35.28 43.77 80.28 35.79 42.90 3 0 20.33 -999 ? O1 PG5 L 166 >ASN^L 83 78.05 40.62 43.24 78.59 40.63 45.31 78.32 40.62 44.28 2 0 17.94 -999 ? O1 PG5 L 166 >ILE^L 84 77.08 39.32 37.86 77.50 39.86 36.58 77.29 39.59 37.22 3 0 22.63 -999 ? O1 PG5 L 166 >LEU^L 85 76.49 34.39 39.69 77.50 33.39 38.04 76.99 33.89 38.87 3 0 25.20 -999 ? O1 PG5 L 166 >ALA^L 86 73.60 36.17 42.83 74.16 36.88 44.09 73.88 36.52 43.46 2 0 23.83 -999 ? O1 PG5 L 166 >GLN^L 87 72.51 41.10 41.44 71.25 41.64 43.08 71.88 41.37 42.26 2 0 24.19 -999 ? O4 PG5 L 166 >VAL^L 88 70.82 36.39 38.09 71.88 35.91 36.25 71.35 36.15 37.17 3 0 28.68 -999 ? O1 PG5 L 166 >LYS^L 89 69.80 33.61 40.48 70.88 29.67 45.30 70.34 31.64 42.89 2 0 30.56 -999 ? O1 PG5 L 166 >ALA^L 90 67.35 36.05 42.15 67.70 37.33 42.90 67.52 36.69 42.52 2 0 29.33 -999 ? O1 PG5 L 166 >ALA^L 91 66.01 37.15 38.72 66.81 37.77 37.61 66.41 37.46 38.17 2 0 31.48 -999 ? O1 PG5 L 166 >LEU^L 92 66.72 32.76 37.07 67.37 33.29 35.04 67.05 33.03 36.05 3 0 33.99 -999 ? O1 PG5 L 166 >ASN^L 93 62.31 32.12 40.50 61.18 33.91 40.16 61.75 33.02 40.33 2 0 37.12 -999 ? O1 PG5 L 166 >GLY^L 94 66.64 30.37 42.23 66.55 30.43 41.42 66.60 30.40 41.82 1 0 33.89 -999 ? O1 PG5 L 166 >ASP^L 95 66.11 28.53 38.15 66.14 26.69 37.12 66.12 27.61 37.63 2 0 37.84 -999 ? O1 PG5 L 166 >LEU^L 96 72.27 29.50 38.18 73.30 31.25 39.05 72.79 30.38 38.62 3 0 30.35 -999 ? O1 PG5 L 166 >SER^L 97 70.25 26.80 34.85 68.47 25.51 35.85 69.36 26.16 35.35 2 0 37.40 -999 ? O1 PG5 L 166 >LYS^L 98 67.79 29.11 33.08 62.89 27.61 36.08 65.34 28.36 34.58 2 0 40.05 -999 ? O1 PG5 L 166 >ILE^L 99 72.14 31.39 32.44 73.20 32.20 33.01 72.67 31.80 32.73 3 0 32.13 -999 ? O1 PG5 L 166 >ARG^L 100 67.26 31.00 26.70 67.15 29.41 24.06 67.20 30.21 25.38 2 0 41.74 -999 ? O4 PG5 G 166 >ARG^L 101 75.61 33.40 24.15 77.64 31.04 24.16 76.62 32.22 24.16 2 0 32.38 -999 ? O4 PG5 G 166 >VAL^L 102 75.90 35.47 29.06 77.11 35.65 30.91 76.51 35.56 29.98 3 0 29.40 -999 ? O1 PG5 L 166 >ILE^L 103 74.40 38.69 25.86 74.12 38.26 24.44 74.26 38.48 25.15 3 0 31.07 -999 ? O4 PG5 G 166 >LYS^L 104 77.96 40.82 27.44 79.47 45.69 25.39 78.72 43.25 26.42 2 0 23.74 -999 ? O4 PG5 G 166 >LEU^L 105 80.94 41.04 31.24 80.46 39.48 32.62 80.70 40.26 31.93 3 0 23.57 -999 ? O1 PG5 L 166 >ASN^L 106 80.29 46.77 30.66 79.21 46.66 28.84 79.75 46.71 29.75 2 0 23.39 -999 ? O4 PG5 G 166 >GLY^L 107 84.18 45.56 33.12 84.05 46.24 32.65 84.12 45.90 32.88 1 0 19.10 -999 ? O1 PG5 L 166 >PHE^L 108 82.79 49.76 34.26 80.58 49.82 32.60 81.68 49.79 33.43 3 0 18.73 -999 ? C7 PG5 L 166 >VAL^L 109 88.53 48.94 36.40 89.99 47.37 35.97 89.26 48.16 36.18 3 0 13.84 -999 ? O1 PG5 L 166 >ALA^L 110 89.57 51.92 38.59 89.19 52.13 40.06 89.38 52.03 39.33 2 0 9.39 -999 ? C4 PG5 L 166 >SER^L 111 93.01 52.60 37.12 92.32 50.99 35.35 92.67 51.80 36.23 2 0 11.21 -999 ? C7 PG5 G 166 >VAL^L 112 95.94 54.96 37.24 97.52 54.48 38.69 96.73 54.72 37.96 3 0 9.66 -999 ? C7 PG5 G 166 >PRO^L 113 96.28 58.37 34.69 96.62 56.17 34.43 96.45 57.27 34.56 3 0 8.26 -999 ? O3 PG5 G 166 >GLU^L 114 101.75 55.61 34.11 100.58 57.15 34.95 101.16 56.38 34.53 2 0 -6.37 -999 ? O3 PG5 G 166s >PHE^L 115 96.53 49.22 35.52 95.71 46.54 35.53 96.12 47.88 35.53 3 0 9.10 -999 ? O4 PG5 G 166 >VAL^L 116 96.96 49.14 30.94 98.61 50.09 29.84 97.78 49.61 30.39 3 0 4.76 -999 ? O4 PG5 G 166 >GLU^L 117 98.44 44.79 32.03 99.95 44.05 33.33 99.19 44.42 32.68 2 0 8.21 -999 ? C8 PG5 G 166 >GLN^L 118 91.81 48.48 32.66 93.40 49.59 31.70 92.61 49.04 32.18 2 0 9.11 -999 ? O4 PG5 G 166 >HIS^L 119 93.81 42.79 28.63 95.90 43.02 28.58 94.85 42.90 28.60 3 0 11.32 -999 ? O4 PG5 G 166 >LEU^L 120 95.24 41.05 32.98 96.78 40.26 31.62 96.01 40.66 32.30 3 0 12.69 -999 ? C8 PG5 G 166 >VAL^L 121 91.78 42.18 35.58 91.81 44.01 36.77 91.79 43.09 36.18 3 0 14.62 -999 ? C1 PG5 L 166 >ILE^L 122 87.68 42.26 32.88 86.62 42.81 33.63 87.15 42.53 33.25 3 0 17.79 -999 ? O4 PG5 G 166 >ASN^L 123 91.13 37.47 32.55 91.58 37.96 30.50 91.35 37.71 31.52 2 0 17.19 -999 ? O4 PG5 G 166 >GLY^L 124 89.09 37.29 36.76 88.60 37.37 36.07 88.84 37.33 36.42 1 0 18.02 -999 ? C1 PG5 L 166 >ALA^L 125 85.33 37.64 36.07 84.56 38.94 35.82 84.95 38.29 35.95 2 0 19.50 -999 ? O1 PG5 L 166 >SER^L 126 85.37 36.09 32.58 85.66 37.95 31.01 85.51 37.02 31.79 2 0 21.36 -999 ? O4 PG5 G 166 >ASN^L 127 88.67 32.94 34.19 90.16 33.48 32.77 89.41 33.21 33.48 2 0 21.86 -999 ? O4 PG5 G 166 >LEU^L 128 84.86 33.38 37.88 83.40 33.38 39.54 84.13 33.38 38.71 3 0 21.60 -999 ? C1 PG5 L 166 >ILE^L 129 81.30 34.19 34.06 80.42 35.28 33.95 80.86 34.74 34.00 3 0 24.93 -999 ? O1 PG5 L 166 >ALA^L 130 83.00 30.52 31.87 84.15 30.81 30.92 83.57 30.67 31.40 2 0 27.44 -999 ? O4 PG5 G 166 >THR^L 131 84.15 27.93 34.42 85.93 27.69 35.62 85.04 27.81 35.02 2 0 26.80 -999 ? C1 PG5 L 166 >VAL^L 132 80.89 27.71 36.40 80.79 29.39 37.79 80.84 28.55 37.09 3 0 27.53 -999 ? C1 PG5 L 166 >LEU^L 133 78.02 29.35 32.91 76.58 30.57 34.10 77.30 29.96 33.50 3 0 30.12 -999 ? O1 PG5 L 166 >GLY^L 134 80.60 26.26 30.62 80.29 27.03 30.63 80.44 26.65 30.62 1 0 32.60 -999 ? C1 PG5 L 166 >GLU^L 135 79.20 27.04 24.52 80.70 28.17 23.58 79.95 27.60 24.05 2 0 32.27 -999 ? O4 PG5 G 166 >PRO^L 136 75.82 27.36 28.37 77.41 28.82 27.69 76.62 28.09 28.03 3 0 34.66 -999 ? O4 PG5 G 166 >GLY^L 137 79.16 31.46 30.03 79.29 31.36 29.25 79.23 31.41 29.64 1 0 30.25 -999 ? O1 PG5 L 166 >ARG^L 138 83.31 29.88 25.47 84.98 30.23 22.93 84.14 30.05 24.20 2 0 28.16 -999 ? O4 PG5 G 166 >HIS^L 139 81.37 36.90 28.78 83.04 36.70 30.04 82.21 36.80 29.41 3 0 24.75 -999 ? O4 PG5 G 166 >ALA^L 140 81.20 39.48 24.56 80.24 40.26 23.66 80.72 39.87 24.11 2 0 25.31 -999 ? O4 PG5 G 166 >ARG^L 141 85.56 40.62 29.27 88.57 40.20 29.59 87.06 40.41 29.43 2 0 17.64 -999 ? O4 PG5 G 166 >ALA^L 142 84.49 45.51 27.18 83.64 46.74 26.98 84.07 46.13 27.08 2 0 19.24 -999 ? O4 PG5 G 166 >ALA^L 143 87.30 46.21 29.67 88.35 45.12 29.81 87.83 45.66 29.74 2 0 15.16 -999 ? O4 PG5 G 166 >VAL^L 144 88.10 49.86 30.39 86.17 50.46 29.56 87.13 50.16 29.98 3 0 15.01 -999 ? O4 PG5 G 166 >GLY^L 145 90.01 52.07 32.83 89.37 52.39 32.44 89.69 52.23 32.64 1 0 12.36 -999 ? C7 PG5 G 166 >MET?L 146 88.02 54.43 35.07 85.67 52.75 33.52 86.84 53.59 34.29 2 0 16.21 -999 ? C7 PG5 L 166 >ALA^L 147 89.14 57.44 37.18 88.61 58.88 37.05 88.88 58.16 37.11 2 0 11.46 -999 ? C7 PG5 L 166 >SER^L 148 87.39 55.92 40.21 86.72 58.25 40.76 87.05 57.08 40.48 2 0 8.17 -999 ? C7 PG5 L 166 >LEU^L 149 84.41 52.45 40.96 84.57 51.47 39.04 84.49 51.96 40.00 3 0 11.44 -999 ? C7 PG5 L 166 >PRO^L 150 79.93 53.83 42.10 81.83 54.08 43.28 80.88 53.95 42.69 3 0 10.51 -999 ? O4 PG5 L 166 >PHE^L 151 80.47 52.34 48.00 77.78 52.89 48.33 79.12 52.61 48.17 3 0 10.53 -999 ? O4 PG5 L 166 >ASN^L 152 87.15 53.68 47.18 89.20 54.00 46.69 88.18 53.84 46.93 2 0 -3.66 -999 ? C4 PG5 L 166s >ALA^L 153 85.64 49.83 44.46 84.35 49.36 43.83 84.99 49.59 44.15 2 0 10.38 -999 ? C3 PG5 L 166 >SER^L 154 88.57 48.65 42.37 90.31 48.17 44.00 89.44 48.41 43.19 2 0 6.36 -999 ? O1 PG5 L 166 >VAL^L 155 86.23 47.02 39.81 87.16 45.20 38.83 86.69 46.11 39.32 3 0 12.59 -999 ? O1 PG5 L 166 >GLU^L 156 80.41 48.72 38.57 79.58 50.70 38.57 79.99 49.71 38.57 2 0 15.39 -999 ? O4 PG5 L 166 >ILE^L 157 81.60 43.46 36.33 82.55 42.45 35.73 82.07 42.95 36.03 3 0 18.77 -999 ? O1 PG5 L 166 >ASP^L 158 76.86 46.18 34.33 77.31 46.89 32.37 77.08 46.53 33.35 2 0 22.78 -999 ? O4 PG5 L 166 >ALA^L 159 75.98 42.22 32.49 76.07 40.92 33.29 76.02 41.57 32.89 2 0 25.24 -999 ? O1 PG5 L 166 >ILE^L 160 73.29 41.99 28.52 72.87 42.90 27.58 73.08 42.44 28.05 3 0 30.16 -999 ? O4 PG5 L 166 >VAL^L 161 72.25 37.68 30.06 72.79 36.63 31.93 72.52 37.15 31.00 3 0 30.55 -999 ? O1 PG5 L 166 >GLU^L 162 69.04 34.73 25.58 69.54 33.84 23.78 69.29 34.28 24.68 2 0 37.51 -999 ? O4 PG5 G 166 >ILE^L 163 67.04 34.46 31.15 66.84 35.60 32.04 66.94 35.03 31.59 3 0 35.14 -999 ? O1 PG5 L 166 >ASP^L 164 64.82 29.77 30.11 66.00 28.53 28.94 65.41 29.15 29.53 2 0 40.28 -999 ? O1 PG5 L 166 >VAL^L 165 61.50 33.14 29.55 61.12 35.31 29.21 61.31 34.22 29.38 3 0 40.86 -999 ? O4 PG5 L 166