HEADER UNKNOWN FUNCTION 09-APR-07 2PGC COMPND UNCHARACTERIZED PROTEIN; COMPND 3 CHAIN: A, B, C, D, E; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: UNCULTURED MARINE ORGANISM; SOURCE 3 ORGANISM_TAXID: 360281; SOURCE 4 GENE: SYNTHETIC GENE: THE GENE PRODUCT WAS BASED ON SOURCE 5 JCVI_PEP_1096685590403 FROM THE SORCERER II GLOBAL OCEAN SAMPLING SOURCE 6 EXPERIMENT; SOURCE 7 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 8 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 9 EXPRESSION_SYSTEM_STRAIN: HK100; SOURCE 10 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 11 EXPRESSION_SYSTEM_PLASMID: SPEEDET AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) HET MSE A 1 8 HET MSE A 22 8 HET MSE A 26 8 HET MSE A 85 8 HET MSE A 124 8 HET MSE A 172 8 HET MSE A 192 8 HET MSE A 199 8 HET MSE B 22 8 HET MSE B 26 8 HET MSE B 85 8 HET MSE B 124 8 HET MSE B 172 8 HET MSE B 192 8 HET MSE B 199 8 HET MSE C 22 8 HET MSE C 26 8 HET MSE C 85 8 HET MSE C 124 14 HET MSE C 172 8 HET MSE C 192 8 HET MSE C 199 8 HET MSE D 22 8 HET MSE D 26 8 HET MSE D 85 8 HET MSE D 124 13 HET MSE D 172 8 HET MSE D 192 8 HET MSE D 199 8 HET MSE E 22 8 HET MSE E 26 8 HET MSE E 85 8 HET MSE E 124 8 HET MSE E 172 8 HET MSE E 192 8 HET MSE E 199 8 HET CL D 207 1 HET CL A 207 1 HET CL B 207 1 HET CL C 207 1 HET CL D 208 1 HET CL E 207 1 SITE 1 AC1 2 ARG D 19 SER D 46 SITE 1 AC2 4 THR A 118 TYR A 179 TYR A 188 ARG A 200 SITE 1 AC3 3 THR B 118 TYR B 179 ARG B 200 SITE 1 AC4 3 THR C 118 TYR C 179 ARG C 200 SITE 1 AC5 3 THR D 118 TYR D 179 ARG D 200 SITE 1 AC6 3 THR E 118 TYR E 179 ARG E 200 mMETA 1 104.55 79.55 39.86 104.80 79.12 40.73 105.74 79.57 37.71 105.53 80.10 36.62 105.49 80.31 39.02 106.82 80.52 39.76 2 0 26.13-999 ?-999 ?-999 ? CL CL A 207 mSER.A 2 106.23 78.35 37.81 106.45 78.07 38.75 105.08 76.92 36.16 105.07 76.06 35.28 106.41 77.50 36.65 107.40 76.37 36.97 2 0 26.90-999 ?-999 ?-999 ? CL CL A 207 mASN.A 3 103.96 77.38 36.73 104.12 77.88 37.58 102.38 78.14 34.97 101.45 77.97 34.20 102.64 77.16 36.12 101.50 77.27 37.15 2 0 24.31-999 ?-999 ?-999 ? CL CL A 207 mILE.A 4 103.21 79.17 34.87 103.87 79.24 35.62 103.80 79.49 32.53 104.82 78.80 32.62 103.16 80.11 33.77 103.85 81.44 34.12 3 0 21.88-999 ?-999 ?-999 ? CL CL A 207 mASN^A 5 103.18 79.74 31.39 102.31 80.22 31.50 104.04 80.61 29.28 103.84 81.72 29.75 103.74 79.35 30.09 102.81 78.38 29.35 2 0 21.39-999 ?-999 ?-999 ? CL CL A 207 mTYR^A 6 104.56 80.43 28.07 104.63 79.48 27.77 104.55 81.42 25.83 104.38 80.29 25.32 105.00 81.56 27.28 106.51 81.74 27.41 3 0 20.59-999 ?-999 ?-999 ? CL CL A 207 mVAL^A 7 104.27 82.56 25.21 104.42 83.37 25.78 104.68 83.64 23.07 104.92 84.76 23.54 103.80 82.65 23.84 102.36 83.11 23.80 3 0 18.75-999 ?-999 ?-999 ? CL CL A 207 mILE^A 8 105.19 83.21 21.92 105.01 82.25 21.71 105.08 84.44 19.88 104.48 83.55 19.27 105.96 84.09 21.06 107.27 83.46 20.50 3 0 20.29-999 ?-999 ?-999 ? CL CL A 207 mLEU^A 9 104.99 85.73 19.56 105.50 86.34 20.17 105.10 86.93 17.46 105.76 87.90 17.84 104.20 86.18 18.42 103.05 87.06 18.89 3 0 18.56-999 ?-999 ?-999 ? CL CL A 207 mTHR^A 10 105.13 86.49 16.21 104.54 85.70 16.03 105.08 87.56 14.05 104.23 86.80 13.62 105.95 87.12 15.19 106.94 86.14 14.61 2 0 21.05-999 ?-999 ?-999 ? CL CL A 207 mVAL^A 11 105.33 88.76 13.54 106.10 89.23 13.97 105.44 89.79 11.31 106.46 90.45 11.54 104.53 89.34 12.46 103.70 90.52 12.98 3 0 19.77-999 ?-999 ?-999 ? CL CL B 207 mALA^A 12 105.10 89.38 10.09 104.25 88.86 10.04 105.04 90.14 7.78 103.92 89.66 7.62 105.93 89.69 8.93 106.74 88.51 8.53 2 0 19.13-999 ?-999 ?-999 ? CL CL B 207 mSER^A 13 105.54 91.09 7.01 106.37 91.53 7.34 105.45 90.53 4.67 106.66 90.26 4.64 104.87 91.44 5.77 105.00 92.93 5.47 2 0 16.77-999 ?-999 ?-999 ? CL CL B 207 mVAL^A 14 104.56 90.02 3.82 103.65 90.42 3.90 104.22 89.30 1.54 103.06 89.70 1.53 104.90 88.98 2.86 104.39 87.60 3.37 3 0 16.72-999 ?-999 ?-999 ? CL CL B 207 mASP.A 15 104.95 89.15 0.44 105.89 88.85 0.60 103.20 88.47 -1.06 103.25 87.32 -0.65 104.38 89.40 -0.88 105.40 89.17 -1.98 2 0 16.13-999 ?-999 ?-999 ? CL CL B 207 mPHE.A 16 102.13 88.96 -1.65 102.24 89.89 -2.00 101.13 86.84 -2.47 100.56 85.82 -2.08 100.90 88.18 -1.76 99.82 88.99 -2.47 3 0 13.43-999 ?-999 ?-999 ? CL CL B 207 mSER.A 17 101.96 86.85 -3.50 102.39 87.74 -3.67 102.92 84.55 -3.50 102.72 83.37 -3.78 102.23 85.65 -4.29 103.05 86.03 -5.52 2 0 16.37-999 ?-999 ?-999 ? CL CL B 207 mTYR~A 18 103.71 84.93 -2.51 103.72 85.91 -2.35 103.73 83.38 -0.55 104.23 82.48 0.12 104.50 83.97 -1.74 105.76 84.69 -1.25 3 0 18.48-999 ?-999 ?-999 ? CL CL B 207 mARG~A 19 102.51 83.85 -0.32 102.19 84.48 -1.03 101.46 81.99 1.01 101.53 81.43 2.10 101.72 83.49 0.87 100.37 84.23 0.86 2 0 16.25-999 ?-999 ?-999 ? CL CL B 207 mGLU~A 20 101.11 81.33 -0.10 101.09 81.88 -0.93 102.07 79.08 0.18 102.08 78.21 1.05 100.80 79.91 -0.03 99.97 79.50 -1.24 2 0 18.07-999 ?-999 ?-999 ? CL CL B 207 mTHR~A 21 103.12 79.39 -0.58 102.93 80.08 -1.28 104.89 78.89 1.03 105.34 77.92 1.63 104.43 78.78 -0.41 105.45 79.46 -1.32 2 0 21.43-999 ?-999 ?-999 ? CL CL B 207 mMETA 22 104.76 80.09 1.57 104.37 80.77 0.94 104.44 79.47 3.97 105.09 78.94 4.86 105.13 80.38 2.95 104.80 81.83 3.28 2 0 20.94-999 ?-999 ?-999 ? CL CL B 207 mALA~A 23 103.13 79.30 3.83 102.73 79.80 3.06 102.86 76.99 4.70 102.95 76.32 5.73 102.37 78.44 4.74 100.87 78.52 4.45 2 0 20.51-999 ?-999 ?-999 ? CL CL B 207 mARG~A 24 103.21 76.52 3.51 103.12 77.16 2.75 105.09 75.03 3.98 105.34 74.09 4.71 103.69 75.17 3.37 103.59 74.75 1.91 2 0 23.64-999 ?-999 ?-999 ? CL CL B 207 mLEU~A 25 105.98 75.99 3.72 105.67 76.67 3.05 107.12 76.03 5.89 107.82 75.32 6.61 107.28 76.02 4.37 108.07 77.26 3.94 3 0 25.56-999 ?-999 ?-999 ? CL CL B 207 mMETA 26 106.18 76.84 6.36 105.61 77.27 5.66 105.50 75.82 8.55 105.88 75.63 9.69 106.01 77.04 7.80 105.13 78.27 8.09 2 0 24.65-999 ?-999 ?-999 ? CL CL B 207 mSER~A 27 104.67 75.00 7.92 104.40 75.27 7.00 105.40 72.80 8.75 105.45 72.05 9.73 104.24 73.78 8.58 103.08 73.13 7.82 2 0 26.06-999 ?-999 ?-999 ? CL CL B 207 mSER~A 28 106.34 72.82 7.81 106.14 73.41 7.03 108.37 72.56 9.11 108.76 71.82 10.01 107.57 72.03 7.93 108.40 72.08 6.65 2 0 29.24-999 ?-999 ?-999 ? CL CL B 207 mTYR~A 29 108.58 73.86 9.11 108.21 74.33 8.31 108.61 74.29 11.57 109.27 74.16 12.60 109.29 74.52 10.22 109.42 76.02 9.95 3 0 29.30-999 ?-999 ?-999 ? CL CL B 207 mSER~A 30 107.28 74.22 11.58 106.85 74.39 10.69 106.85 72.51 13.33 107.13 72.35 14.53 106.54 73.92 12.81 105.04 74.11 12.65 2 0 28.45-999 ?-999 ?-999 ? CL CL A 207 mLYS~A 31 106.79 71.51 12.44 106.52 71.78 11.52 108.46 70.11 13.53 108.60 69.53 14.60 107.11 70.12 12.82 107.16 69.18 11.61 2 0 31.32-999 ?-999 ?-999 ? CL CL A 207 mASP~A 32 109.43 70.80 12.94 109.15 71.24 12.08 110.77 71.43 14.91 111.43 70.88 15.78 110.78 70.91 13.48 111.63 71.85 12.61 2 0 33.04-999 ?-999 ?-999 ? CL CL A 207 mLEU~A 33 110.04 72.51 15.15 109.55 72.87 14.35 109.22 72.20 17.48 109.63 72.10 18.64 109.96 73.09 16.49 109.25 74.44 16.46 3 0 30.21-999 ?-999 ?-999 ? CL CL A 207 mILE~A 34 108.12 71.59 17.03 107.89 71.79 16.08 108.16 69.49 18.32 108.21 69.16 19.50 107.33 70.71 17.89 106.00 70.32 17.23 3 0 29.61-999 ?-999 ?-999 ? CL CL A 207 mASP~A 35 108.86 68.88 17.36 108.78 69.33 16.47 110.99 67.92 18.31 111.40 67.12 19.14 109.65 67.67 17.62 109.93 66.92 16.31 2 0 33.39-999 ?-999 ?-999 ? CL CL A 207 mASN~A 36 111.68 69.01 17.97 111.18 69.62 17.36 113.22 70.39 19.48 114.17 70.37 20.27 113.05 69.27 18.46 113.97 69.65 17.31 2 0 34.55-999 ?-999 ?-999 ? CL CL A 207 mALA~A 37 112.36 71.39 19.43 111.67 71.32 18.71 111.52 72.31 21.58 111.61 73.06 22.55 112.44 72.50 20.36 112.13 73.82 19.65 2 0 31.78-999 ?-999 ?-999 ? CL CL A 207 mGLY.A 38 110.64 71.31 21.53 110.73 70.74 20.71 108.48 72.05 22.55 107.80 72.25 23.57 109.66 71.09 22.59-999.99-999.99-999.99 1 0 30.39-999 ?-999 ?-999 ? CL CL A 207 mALA.A 39 108.24 72.66 21.39 108.89 72.45 20.66 105.83 72.81 21.44 105.67 71.72 20.90 107.12 73.57 21.22 107.13 74.18 19.83 2 0 26.95-999 ?-999 ?-999 ? CL CL A 207 mLYS.A 40 104.93 73.38 22.23 105.22 74.27 22.58 102.57 73.21 21.59 101.45 73.49 21.99 103.65 72.75 22.56 103.24 73.12 23.99 2 0 25.03-999 ?-999 ?-999 ? CL CL A 207 mGLY.A 41 102.90 73.30 20.31 103.84 73.01 20.12 102.43 75.07 18.64 103.24 75.81 19.20 101.97 73.78 19.29-999.99-999.99-999.99 1 0 23.59-999 ?-999 ?-999 ? CL CL A 207 mTHR^A 42 101.93 75.31 17.43 101.43 74.54 17.04 100.84 76.94 15.99 99.98 76.10 15.77 102.11 76.57 16.73 103.22 76.47 15.71 2 0 22.34-999 ?-999 ?-999 ? CL CL A 207 mARG^A 43 100.73 78.21 15.61 101.44 78.81 15.97 100.23 79.63 13.73 101.12 80.42 14.06 99.65 78.67 14.75 98.59 79.37 15.56 2 0 20.17-999 ?-999 ?-999 ? CL CL A 207 mPHE^A 44 99.74 79.56 12.51 99.03 78.86 12.39 98.98 80.88 10.66 98.08 80.09 10.32 100.19 80.42 11.43 101.18 79.70 10.53 3 0 20.12-999 ?-999 ?-999 ? CL CL B 207 mGLY^A 45 98.92 82.18 10.42 99.72 82.70 10.71 97.99 84.12 9.23 99.08 84.65 9.35 97.75 82.76 9.78-999.99-999.99-999.99 1 0 16.39-999 ?-999 ?-999 ? CL CL B 207 mSER^A 46 96.95 84.67 8.60 96.16 84.07 8.53 96.19 86.95 8.98 95.10 86.57 9.43 96.99 86.03 8.08 96.40 86.05 6.67 2 0 13.03-999 ?-999 ?-999 ? CL CL B 207 mILE^A 47 96.72 88.13 9.29 97.64 88.27 8.93 94.90 89.70 9.18 95.20 90.26 8.13 95.97 89.11 10.10 96.88 90.19 10.66 3 0 12.26-999 ?-999 ?-999 ? CL CL B 207 mGLY.A 48 93.64 89.52 9.55 93.54 89.10 10.45 92.09 91.37 8.86 91.45 91.91 7.97 92.53 89.93 8.69-999.99-999.99-999.99 1 0 9.14-999 ?-999 ?-999 ? CL CL B 207 mTHR.A 49 92.44 92.00 9.98 93.09 91.50 10.56 92.98 94.26 10.85 94.13 93.86 11.08 91.91 93.31 10.30 90.79 93.15 11.35 2 0 9.70-999 ?-999 ?-999 ? CL CL B 207 mGLY.A 50 92.60 95.53 11.01 91.66 95.71 10.71 94.47 97.06 10.56 94.34 96.78 9.35 93.48 96.53 11.58-999.99-999.99-999.99 1 0 11.85-999 ?-999 ?-999 ? CL CL B 207 mASP.A 51 95.45 97.83 11.05 95.44 97.92 12.04 97.49 97.46 9.63 98.15 97.74 8.65 96.45 98.47 10.15 97.10 99.73 10.78 2 0 12.82-999 ?-999 ?-999 ? CL CL B 207 mHIS.A 52 97.59 96.30 10.25 97.02 96.23 11.07 97.70 94.18 8.94 98.18 93.04 8.77 98.46 95.22 9.78 99.12 94.49 10.95 3 0 13.04-999 ?-999 ?-999 ? CL CL B 207 mALA.A 53 96.52 94.54 8.46 96.23 95.46 8.71 96.61 93.14 6.48 97.27 93.94 5.83 95.73 93.61 7.63 94.48 94.28 7.10 2 0 9.46-999 ?-999 ?-999 ? CL CL B 207 mGLY.A 54 96.65 91.83 6.25 96.10 91.28 6.87 98.87 90.82 5.60 99.51 90.05 4.87 97.48 91.29 5.17-999.99-999.99-999.99 1 0 9.75-999 ?-999 ?-999 ? CL CL B 207 mSER.A 55 99.36 91.26 6.76 98.84 91.99 7.20 100.26 89.26 7.78 99.09 88.90 8.05 100.57 90.68 7.30 101.12 91.53 8.45 2 0 13.51-999 ?-999 ?-999 ? CL CL B 207 mLEU^A 56 101.30 88.43 7.85 102.17 88.83 7.55 101.70 87.06 9.77 102.56 87.89 10.12 101.17 87.08 8.34 101.93 86.10 7.42 3 0 15.62-999 ?-999 ?-999 ? CL CL B 207 mILE^A 57 101.16 86.16 10.59 100.49 85.56 10.15 101.81 84.58 12.34 101.15 83.67 11.83 101.51 86.06 12.00 100.39 86.65 12.93 3 0 18.25-999 ?-999 ?-999 ? CL CL B 207 mPHE^A 58 102.83 84.36 13.15 103.30 85.20 13.45 103.23 83.02 15.09 103.81 83.93 15.71 103.24 83.03 13.58 104.64 82.73 13.05 3 0 20.87-999 ?-999 ?-999 ? CL CL A 207 mILE^A 59 102.58 82.03 15.70 102.20 81.35 15.07 103.06 80.66 17.67 102.77 79.60 17.14 102.46 81.97 17.16 100.98 82.10 17.63 3 0 19.21-999 ?-999 ?-999 ? CL CL A 207 mGLN^A 60 103.92 80.75 18.68 104.05 81.68 19.02 104.27 79.47 20.70 104.26 80.48 21.39 104.61 79.59 19.23 106.14 79.75 19.08 2 0 21.60-999 ?-999 ?-999 ? CL CL A 207 mPHE^A 61 104.00 78.26 21.17 104.02 77.54 20.47 104.85 77.20 23.26 105.24 76.14 22.76 103.71 78.01 22.58 102.36 77.30 22.75 3 0 21.36-999 ?-999 ?-999 ? CL CL A 207 mTYR^A 62 105.37 77.72 24.38 104.99 78.61 24.63 106.07 77.04 26.64 105.51 78.01 27.17 106.40 77.03 25.14 107.78 77.66 24.89 3 0 24.05-999 ?-999 ?-999 ? CL CL A 207 mASP.A 63 106.40 75.95 27.31 106.79 75.22 26.74 107.26 76.67 29.50 107.03 77.14 30.62 106.22 75.85 28.75 106.36 74.39 29.19 2 0 25.08-999 ?-999 ?-999 ? CL CL A 207 mASP~A 64 108.42 76.82 28.87 108.44 76.41 27.96 110.27 78.30 28.38 110.22 77.93 27.22 109.56 77.52 29.46 110.57 76.51 30.00 2 0 26.88-999 ?-999 ?-999 ? CL CL A 207 mLEU~A 65 110.99 79.35 28.78 110.91 79.55 29.76 113.00 79.32 27.33 113.52 79.63 26.27 111.80 80.11 27.85 112.24 81.43 28.49 3 0 27.30-999 ?-999 ?-999 ? CL CL A 207 mTHR~A 66 113.41 78.28 28.05 112.97 78.20 28.95 113.98 76.75 26.23 114.78 76.61 25.31 114.43 77.34 27.55 114.71 76.19 28.53 2 0 30.83-999 ?-999 ?-999 ? CL CL A 207 mGLY~A 67 112.70 76.40 26.15 112.20 76.48 27.01 112.35 76.90 23.74 112.77 76.50 22.65 112.10 75.94 24.90-999.99-999.99-999.99 1 0 29.33-999 ?-999 ?-999 ? CL CL A 207 mTYR~A 68 112.11 78.19 23.99 111.81 78.40 24.92 113.79 79.29 22.57 114.14 79.46 21.41 112.31 79.18 22.93 111.68 80.56 23.27 3 0 27.91-999 ?-999 ?-999 ? CL CL A 207 mGLN~A 69 114.67 79.15 23.55 114.27 79.05 24.46 116.56 78.01 22.38 117.41 78.18 21.53 116.12 79.17 23.27 116.93 79.18 24.56 2 0 28.57-999 ?-999 ?-999 ? CL CL E 207 mLYS~A 70 115.97 76.83 22.58 115.34 76.80 23.36 115.70 76.00 20.32 116.36 75.71 19.32 116.24 75.69 21.71 115.66 74.38 22.28 2 0 31.25-999 ?-999 ?-999 ? CL CL E 207 mALA~A 71 114.52 76.61 20.26 114.08 76.75 21.15 114.85 77.97 18.22 115.01 77.83 17.02 113.93 77.05 19.00 112.60 77.75 19.25 2 0 30.67-999 ?-999 ?-999 ? CL CL E 207 mLEU~A 72 115.47 78.92 18.92 115.20 78.96 19.88 117.64 79.05 17.72 118.15 79.43 16.67 116.45 79.81 18.28 116.97 80.88 19.26 3 0 27.00-999 ?-999 ?-999 ? CL CL E 207 mGLU~A 73 118.08 77.99 18.40 117.60 77.83 19.26 118.72 76.32 16.68 119.51 76.08 15.77 119.18 77.15 17.90 119.82 76.32 19.05 2 0 28.35-999 ?-999 ?-999 ? CL CL E 207 mILE~A 74 117.45 75.92 16.64 116.93 76.12 17.47 116.84 76.15 14.23 117.07 75.68 13.11 116.88 75.24 15.47 115.45 74.72 15.75 3 0 30.89-999 ?-999 ?-999 ? CL CL E 207 mGLN~A 75 116.55 77.44 14.41 116.36 77.68 15.36 117.82 78.44 12.53 117.85 78.28 11.31 116.52 78.40 13.29 116.32 79.82 13.77 2 0 28.27-999 ?-999 ?-999 ? CL CL E 207 mSER~A 76 118.90 78.70 13.27 118.70 78.80 14.24 120.60 77.64 11.80 121.30 77.82 10.81 120.23 78.82 12.70 121.27 78.96 13.82 2 0 26.57-999 ?-999 ?-999 ? CL CL E 207 mLYS~A 77 120.12 76.45 12.14 119.55 76.46 12.96 119.37 74.90 10.29 119.63 74.07 9.43 120.43 75.23 11.37 120.66 74.04 12.32 2 0 30.09-999 ?-999 ?-999 ? CL CL E 207 mSER~A 78 118.20 75.55 10.31 118.17 76.30 10.97 117.19 75.73 8.00 117.30 76.94 7.80 117.08 75.18 9.42 115.73 75.64 10.01 2 0 31.56-999 ?-999 ?-999 ? CL CL E 207 mSER~A 79 117.11 74.82 7.03 117.04 73.88 7.37 115.84 75.87 5.21 115.89 76.85 4.47 117.12 75.15 5.61 117.25 73.87 4.80 2 0 32.57-999 ?-999 ?-999 ? CL CL E 207 mVAL~A 80 114.71 75.37 5.70 114.84 74.53 6.22 113.42 77.47 5.90 112.96 78.34 5.16 113.39 76.00 5.47 112.24 75.29 6.26 3 0 30.40-999 ?-999 ?-999 ? CL CL B 207 mPHE~A 81 113.96 77.74 7.08 114.29 76.94 7.59 115.01 79.95 6.71 114.72 81.10 6.41 114.06 79.11 7.56 114.53 79.16 9.00 3 0 29.69-999 ?-999 ?-999 ? CL CL B 207 mLYS~A 82 116.15 79.38 6.33 116.28 78.45 6.68 116.44 80.49 4.15 116.60 81.62 3.70 117.10 80.08 5.48 118.35 79.22 5.22 2 0 28.39-999 ?-999 ?-999 ? CL CL E 207 mGLU~A 83 115.69 79.56 3.55 115.64 78.69 4.06 114.08 80.99 2.34 114.09 81.84 1.45 115.03 79.79 2.27 114.27 78.52 1.82 2 0 29.52-999 ?-999 ?-999 ? CL CL B 207 mILE~A 84 113.29 81.04 3.40 113.40 80.29 4.04 113.05 83.46 3.65 112.65 84.40 3.00 112.32 82.12 3.58 111.46 81.88 4.84 3 0 26.15-999 ?-999 ?-999 ? CL CL B 207 mMETA 85 114.13 83.50 4.42 114.35 82.63 4.86 115.63 85.12 3.32 115.69 86.30 2.97 114.90 84.72 4.60 115.92 84.55 5.75 2 0 26.10-999 ?-999 ?-999 ? CL CL E 207 mASP~A 86 116.19 84.14 2.62 116.07 83.23 3.03 115.95 84.78 0.21 116.40 85.32 -0.81 116.90 84.39 1.36 117.71 83.15 0.92 2 0 26.98-999 ?-999 ?-999 ? CL CL E 207 mSER~A 87 114.66 84.50 0.37 114.43 84.09 1.25 113.56 86.28 -0.95 113.29 86.69 -2.07 113.68 84.78 -0.68 112.30 84.20 -0.33 2 0 26.32-999 ?-999 ?-999 ? CL CL B 207 mGLY~A 88 113.76 87.08 0.08 114.10 86.63 0.91 112.02 88.83 -0.10 111.65 89.97 -0.38 113.50 88.51 -0.02-999.99-999.99-999.99 1 0 25.13-999 ?-999 ?-999 ? CL CL B 207 mLYS.A 89 111.17 87.83 0.14 111.61 86.98 0.41 109.01 88.08 1.38 107.79 88.31 1.43 109.72 87.98 0.03 109.15 86.81 -0.77 2 0 21.57-999 ?-999 ?-999 ? CL CL B 207 mALA^A 90 109.75 87.89 2.47 110.72 87.70 2.29 110.04 88.90 4.67 111.26 88.80 4.73 109.20 87.95 3.81 109.15 86.60 4.40 2 0 21.22-999 ?-999 ?-999 ? CL CL B 207 mASN^A 91 109.37 89.83 5.34 108.38 89.81 5.20 109.45 90.77 7.63 108.35 91.27 7.84 110.03 90.79 6.21 109.87 92.18 5.59 2 0 21.92-999 ?-999 ?-999 ? CL CL B 207 mILE^A 92 110.17 90.21 8.60 111.04 89.81 8.28 109.90 91.55 10.53 111.01 92.05 10.52 109.73 90.17 9.99 110.59 89.22 10.86 3 0 22.90-999 ?-999 ?-999 ? CL CL B 207 mTYR^A 93 108.82 92.17 10.99 107.97 91.65 10.94 108.45 93.70 12.98 108.52 94.78 13.54 108.93 93.53 11.53 108.24 94.55 10.61 3 0 22.60-999 ?-999 ?-999 ? CL CL B 207 mLEU^A 94 107.98 92.61 13.58 107.93 91.79 13.01 107.71 91.22 15.54 107.34 90.25 14.89 107.57 92.63 14.95 106.11 93.09 15.03 3 0 22.14-999 ?-999 ?-999 ? CL CL A 207 mARG^A 95 108.29 91.13 16.74 108.76 91.96 17.03 108.17 90.24 19.00 108.98 91.00 19.50 108.22 89.90 17.53 109.43 89.00 17.30 2 0 21.89-999 ?-999 ?-999 ? CL CL A 207 mASN^A 96 107.20 89.67 19.69 106.57 89.11 19.16 106.72 88.61 21.86 106.21 87.68 21.24 107.12 89.88 21.13 106.18 91.06 21.41 2 0 20.02-999 ?-999 ?-999 ? CL CL A 207 mILE^A 97 107.01 88.58 23.16 107.40 89.44 23.50 105.72 87.77 25.05 105.79 88.87 25.63 106.78 87.41 24.02 108.05 87.03 24.78 3 0 19.85-999 ?-999 ?-999 ? CL CL A 207 mSER^A 98 104.78 86.85 25.30 104.88 86.02 24.75 103.71 85.91 27.32 104.03 84.77 27.00 103.71 87.04 26.29 102.34 87.04 25.60 2 0 17.13-999 ?-999 ?-999 ? CL CL A 207 mTHR^A 99 103.31 86.19 28.55 103.21 87.16 28.75 101.72 84.48 29.11 100.90 85.11 28.43 103.05 85.10 29.49 102.93 85.53 30.92 2 0 17.86-999 ?-999 ?-999 ? CL CL A 207 mSER^A 100 101.51 83.24 29.56 102.32 82.82 29.97 99.86 82.06 30.83 100.52 81.16 31.34 100.21 82.59 29.45 100.23 81.45 28.42 2 0 16.66-999 ?-999 ?-999 ? CL CL A 207 mLEU.A 101 98.85 82.64 31.44 98.36 83.31 30.88 97.38 81.29 32.86 96.55 81.25 31.96 98.51 82.33 32.81 98.07 83.60 33.54 3 0 17.00-999 ?-999 ?-999 ? CL CL A 207 mPRO.A 102 97.34 80.46 33.92 98.12 80.55 34.54 94.88 80.16 34.22 94.68 81.14 34.95 96.26 79.50 34.15 96.60 78.90 35.51 3 0 18.19-999 ?-999 ?-999 ? CL CL A 207 mTHR.A 103 93.95 79.63 33.43 94.30 78.89 32.84 91.62 78.91 33.61 91.94 77.77 33.27 92.56 80.08 33.42 92.16 80.80 32.11 2 0 15.84-999 ?-999 ?-999 ? CL CL A 207 mLYS.A 104 90.45 79.20 34.16 90.34 80.16 34.39 88.61 78.02 33.14 87.45 78.42 33.12 89.44 78.19 34.40 88.55 78.63 35.57 2 0 17.18-999 ?-999 ?-999 ? CL CL A 207 mPHE.A 105 89.19 77.46 32.09 90.11 77.12 32.27 88.79 75.98 30.19 89.94 75.54 30.18 88.50 77.34 30.79 88.94 78.46 29.83 3 0 15.94-999 ?-999 ?-999 ? CL CL A 207 mGLU.A 106 87.75 75.32 29.67 86.89 75.83 29.69 88.51 74.01 27.72 87.81 74.29 26.75 87.90 73.97 29.13 86.55 73.24 29.10 2 0 18.48-999 ?-999 ?-999 ? CL CL A 207 mGLN.A 107 89.80 73.73 27.62 90.24 73.48 28.48 90.08 72.65 25.42 89.92 71.52 25.87 90.51 73.79 26.34 92.03 73.72 26.56 2 0 18.35-999 ?-999 ?-999 ? CL CL A 207 mSER.A 108 89.91 72.96 24.14 89.97 73.94 23.95 90.91 71.73 22.26 91.78 72.61 22.14 89.66 71.95 23.11 88.48 72.37 22.22 2 0 19.92-999 ?-999 ?-999 ? CL CL A 207 mTYR.A 109 91.00 70.54 21.68 90.22 69.94 21.88 91.89 70.46 19.35 92.79 70.32 18.51 92.14 70.15 20.84 92.43 68.66 21.02 3 0 22.32-999 ?-999 ?-999 ? CL CL A 207 mGLU.A 110 90.67 70.90 19.05 90.05 70.95 19.83 91.12 72.43 17.17 91.20 73.49 17.80 90.28 71.25 17.69 88.79 71.60 17.66 2 0 21.62-999 ?-999 ?-999 ? CL CL A 207 mHIS.A 111 91.76 72.22 16.02 91.70 71.29 15.67 91.46 74.38 15.00 90.45 74.10 14.34 92.49 73.29 15.36 93.16 72.80 14.06 3 0 20.99-999 ?-999 ?-999 ? CL CL A 207 mPRO.A 112 91.71 75.61 15.48 92.53 75.72 16.03 90.93 77.14 13.71 91.97 76.93 13.09 90.78 76.68 15.16 91.17 77.77 16.16 3 0 17.79-999 ?-999 ?-999 ? CL CL A 207 mLYS.A 113 89.87 77.74 13.18 89.05 77.71 13.74 90.22 79.89 12.01 90.86 80.46 11.15 89.93 78.38 11.86 88.66 78.11 11.02 2 0 18.23-999 ?-999 ?-999 ? CL CL A 207 mTYR^A 114 89.79 80.50 13.12 89.24 79.91 13.71 90.58 82.10 14.86 90.15 81.38 15.77 90.10 81.91 13.43 88.87 82.81 13.20 3 0 14.68-999 ?-999 ?-999 ? CL CL A 207 mILE^A 115 91.45 83.08 15.06 91.82 83.48 14.22 91.55 85.03 16.55 91.83 85.80 15.62 91.84 83.53 16.40 93.34 83.28 16.68 3 0 12.04-999 ?-999 ?-999 ? CL CL A 207 mVAL^A 116 90.97 85.42 17.68 90.68 84.67 18.28 91.83 87.18 19.08 91.90 86.54 20.10 90.80 86.84 18.01 89.39 87.15 18.52 3 0 8.46-999 ?-999 ?-999 ? CL CL A 207 mLEU^A 117 92.68 88.16 18.81 92.61 88.49 17.87 93.02 90.00 20.26 92.57 90.79 19.44 93.61 88.70 19.80 94.99 89.00 19.19 3 0 8.09-999 ?-999 ?-999 ? CL CL A 207 mTHR^A 118 93.00 90.18 21.57 93.31 89.39 22.10 93.67 91.88 23.12 94.25 91.05 23.83 92.57 91.43 22.18 91.32 91.23 23.02 2 0 -5.50-999 ?-999 ?-999 ? CL CL A 207s mARG^A 119 93.94 93.18 23.13 93.37 93.74 22.53 94.44 94.91 24.74 93.68 95.71 24.20 95.00 93.74 23.95 96.17 94.17 23.06 2 0 7.87-999 ?-999 ?-999 ? CL CL A 207 mALA^A 120 94.80 94.98 26.02 95.47 94.30 26.31 95.27 96.57 27.85 96.27 95.92 28.17 94.23 95.99 26.90 93.07 95.41 27.69 2 0 8.56-999 ?-999 ?-999 ? CL CL A 207 mGLU^A 121 95.00 97.79 28.29 94.17 98.17 27.90 95.14 98.48 30.60 93.94 98.74 30.67 95.84 98.51 29.24 95.98 99.91 28.74 2 0 12.02-999 ?-999 ?-999 ? CL CL A 207 mALA.A 122 95.86 98.12 31.65 96.80 97.88 31.43 96.44 98.09 34.00 97.54 97.67 33.66 95.30 98.08 33.01 94.44 96.85 33.22 2 0 13.56-999 ?-999 ?-999 ? CL CL A 207 mALA~A 123 96.20 98.57 35.22 95.27 98.93 35.34 97.65 97.09 36.54 96.84 96.17 36.40 97.22 98.54 36.27 96.70 99.19 37.53 2 0 17.12-999 ?-999 ?-999 ? CL CL A 207 mMETA 124 98.93 96.89 36.90 99.49 97.71 36.87 98.76 95.12 38.61 98.65 93.93 38.90 99.41 95.54 37.29 100.95 95.46 37.40 2 0 18.30-999 ?-999 ?-999 ? CL CL A 207 mSER~A 125 98.35 96.10 39.41 98.57 97.02 39.08 96.21 95.32 40.45 95.60 94.78 41.37 97.63 95.84 40.67 97.60 97.11 41.52 2 0 19.97-999 ?-999 ?-999 ? CL CL A 207 mASP~A 126 95.67 95.47 39.24 96.23 96.00 38.60 94.50 93.50 38.30 93.51 92.96 37.81 94.38 94.90 38.91 93.64 95.82 37.93 2 0 16.75-999 ?-999 ?-999 ? CL CL A 207 mLYS~A 127 95.69 92.89 38.34 96.39 93.37 38.87 94.91 90.53 38.06 94.45 89.76 37.22 95.90 91.62 37.64 97.36 91.13 37.73 2 0 16.06-999 ?-999 ?-999 ? CL CL A 207 mASP~A 128 94.56 90.49 39.34 94.95 91.22 39.90 92.21 89.70 39.55 91.49 88.78 39.17 93.68 89.44 39.86 93.95 89.24 41.34 2 0 17.20-999 ?-999 ?-999 ? CL CL A 207 mLYS~A 129 91.78 90.95 39.68 92.43 91.57 40.10 90.26 90.94 37.77 89.22 90.39 37.39 90.44 91.35 39.23 90.25 92.87 39.42 2 0 15.53-999 ?-999 ?-999 ? CL CL A 207 mPHE~A 130 91.29 91.20 36.97 92.06 91.63 37.44 91.09 89.38 35.34 90.19 88.98 34.60 91.30 90.87 35.54 92.64 91.30 34.92 3 0 12.21-999 ?-999 ?-999 ? CL CL A 207 mLEU~A 131 91.91 88.57 36.00 92.57 89.04 36.58 90.46 86.58 36.30 89.94 85.65 35.70 91.82 87.11 35.85 92.95 86.40 36.61 3 0 13.46-999 ?-999 ?-999 ? CL CL A 207 mASN~A 132 89.88 87.18 37.33 90.44 87.90 37.75 87.47 87.02 36.77 86.63 86.17 36.56 88.54 86.79 37.80 88.11 87.56 39.05 2 0 14.69-999 ?-999 ?-999 ? CL CL A 207 mCYH~A 133 87.50 88.19 36.15 88.20 88.82 36.47 86.67 87.50 33.94 85.66 86.96 33.47 86.55 88.50 35.08 86.80 89.90 34.54 2 0 11.55-999 ?-999 ?-999 ? CL CL A 207 mILE~A 134 87.90 87.23 33.52 88.62 87.75 33.99 87.57 84.90 32.85 86.91 84.27 32.04 88.15 86.25 32.46 89.66 86.15 32.08 3 0 10.10-999 ?-999 ?-999 ? CL CL A 207 mASN~A 135 87.75 84.48 34.11 88.30 85.10 34.67 85.65 83.26 34.74 84.97 82.25 34.49 87.19 83.22 34.58 87.87 82.80 35.90 2 0 13.57-999 ?-999 ?-999 ? CL CL A 207 mASP~A 136 85.11 84.41 35.12 85.77 85.14 35.29 82.91 84.52 33.95 81.75 84.14 33.91 83.65 84.55 35.28 83.28 85.83 36.05 2 0 13.87-999 ?-999 ?-999 ? CL CL A 207 mTHR~A 137 83.59 84.90 32.87 84.52 85.21 33.07 83.42 83.66 30.70 83.06 83.57 29.53 83.00 84.87 31.53 83.39 86.13 30.70 2 0 11.08-999 ?-999 ?-999 ? CL CL A 207 mALA~A 138 84.18 82.73 31.28 84.37 82.91 32.25 83.53 80.84 29.80 83.72 80.34 28.70 84.66 81.57 30.53 85.42 80.63 31.44 2 0 12.38-999 ?-999 ?-999 ? CL CL A 207 mSER~A 139 82.35 80.80 30.41 82.32 81.27 31.29 80.66 80.84 28.59 80.17 80.19 27.68 81.19 80.13 29.82 80.06 80.02 30.83 2 0 14.38-999 ?-999 ?-999 ? CL CL A 207 mCYH~A 140 80.73 82.17 28.58 81.08 82.57 29.42 80.99 82.41 26.15 80.39 82.31 25.09 80.33 82.94 27.39 80.78 84.39 27.48 2 0 11.77-999 ?-999 ?-999 ? CL CL A 207 mPHE~A 141 82.28 82.12 26.30 82.62 82.25 27.23 82.78 80.21 24.87 82.42 79.90 23.72 83.09 81.66 25.20 84.58 81.83 25.54 3 0 11.01-999 ?-999 ?-999 ? CL CL A 207 mLYS~A 142 82.89 79.32 25.87 83.08 79.73 26.76 81.36 77.59 25.11 81.22 76.86 24.13 82.74 77.88 25.65 82.99 77.08 26.94 2 0 14.70-999 ?-999 ?-999 ? CL CL A 207 mASP~A 143 80.34 78.20 25.73 80.63 78.77 26.50 78.70 78.34 23.86 77.93 77.65 23.20 78.94 78.03 25.32 78.02 78.97 26.08 2 0 16.15-999 ?-999 ?-999 ? CL CL A 207 mASN~A 144 79.33 79.41 23.39 79.99 79.82 24.02 80.02 79.41 21.00 79.97 79.87 19.86 79.06 79.91 22.05 79.01 81.43 22.08 2 0 14.60-999 ?-999 ?-999 ? CL CL A 207 mGLY.A 145 80.88 78.45 21.35 80.91 78.27 22.34 83.21 77.94 20.44 83.93 77.31 19.65 81.70 77.74 20.37-999.99-999.99-999.99 1 0 15.54-999 ?-999 ?-999 ? CL CL A 207 mALA.A 146 83.69 78.78 21.36 82.99 79.19 21.94 85.86 77.75 21.79 85.38 76.92 22.53 85.13 79.05 21.50 85.38 80.06 22.59 2 0 13.12-999 ?-999 ?-999 ? CL CL A 207 mLEU.A 147 87.03 77.58 21.19 87.32 78.37 20.64 88.88 76.48 22.38 88.98 75.63 23.25 87.79 76.35 21.32 88.44 75.95 20.00 3 0 15.62-999 ?-999 ?-999 ? CL CL A 207 mTHR^A 148 89.68 77.54 22.30 89.45 78.16 21.55 90.77 79.18 23.75 90.27 80.09 23.09 90.80 77.76 23.23 92.20 77.56 22.58 2 0 14.39-999 ?-999 ?-999 ? CL CL A 207 mLEU^A 149 91.33 79.36 24.95 91.62 78.52 25.40 92.79 80.75 26.30 93.06 79.94 27.18 91.48 80.67 25.55 90.33 80.98 26.50 3 0 11.89-999 ?-999 ?-999 ? CL CL A 207 mARG^A 150 93.60 81.74 25.94 93.26 82.27 25.16 94.92 83.50 26.96 94.40 84.35 26.22 94.86 82.02 26.62 96.05 81.57 25.77 2 0 12.52-999 ?-999 ?-999 ? CL CL A 207 mPHE^A 151 95.55 83.81 28.08 96.06 83.04 28.48 96.81 85.41 29.45 97.36 84.55 30.11 95.50 85.13 28.68 94.29 85.20 29.60 3 0 11.45-999 ?-999 ?-999 ? CL CL A 207 mGLY^A 152 97.32 86.62 29.32 96.81 87.24 28.73 98.95 88.42 29.73 98.11 89.25 29.35 98.54 86.98 30.01-999.99-999.99-999.99 1 0 13.52-999 ?-999 ?-999 ? CL CL A 207 mASN^A 153 100.23 88.70 29.95 100.77 87.93 30.29 101.96 90.00 28.75 102.75 89.07 28.77 100.79 90.03 29.72 101.28 90.63 31.03 2 0 14.66-999 ?-999 ?-999 ? CL CL A 207 mLEU.A 154 102.05 91.01 27.90 101.28 91.65 27.92 104.41 91.44 27.94 104.38 92.37 28.76 103.19 91.16 27.03 102.95 92.28 26.00 3 0 16.09-999 ?-999 ?-999 ? CL CL A 207 mLEU.A 155 105.44 90.59 27.81 105.25 89.82 27.20 107.65 91.71 27.77 108.56 92.26 28.39 106.71 90.78 28.50 107.47 89.44 28.64 3 0 19.85-999 ?-999 ?-999 ? CL CL A 207 mTHR.A 156 107.49 91.85 26.46 106.69 91.39 26.08 107.69 93.61 24.75 106.48 93.52 24.57 108.42 92.63 25.66 109.28 91.71 24.76 2 0 21.10-999 ?-999 ?-999 ? CL CL A 207 mGLY.A 157 108.44 94.56 24.20 109.37 94.63 24.57 107.42 96.76 23.60 107.46 97.11 24.78 107.93 95.42 23.15-999.99-999.99-999.99 1 0 20.88-999 ?-999 ?-999 ? CL CL A 207 mSER.A 158 106.93 97.54 22.65 106.95 97.13 21.73 105.07 98.83 23.67 104.61 99.86 24.12 106.42 98.88 22.96 106.34 99.79 21.71 2 0 20.36-999 ?-999 ?-999 ? CL CL A 207 mASN.A 159 104.41 97.68 23.74 104.80 96.94 23.18 103.46 96.65 25.80 102.54 96.04 26.34 103.21 97.55 24.59 101.97 97.04 23.81 2 0 16.86-999 ?-999 ?-999 ? CL CL A 207 mVAL.A 160 104.72 96.60 26.24 105.37 97.15 25.72 104.14 96.12 28.54 103.88 97.29 28.81 105.07 95.79 27.39 106.50 96.07 27.86 3 0 18.45-999 ?-999 ?-999 ? CL CL A 207 mGLY.A 161 103.63 95.09 29.21 103.93 94.19 28.88 101.27 95.14 29.96 100.46 94.75 30.79 102.72 95.27 30.33-999.99-999.99-999.99 1 0 16.95-999 ?-999 ?-999 ? CL CL A 207 mASN.A 162 100.90 95.46 28.71 101.63 95.80 28.12 99.05 93.87 28.55 99.84 92.92 28.41 99.49 95.30 28.31 99.28 95.62 26.83 2 0 13.32-999 ?-999 ?-999 ? CL CL A 207 mTYR^A 163 97.79 93.70 28.90 97.30 94.55 29.10 96.86 91.95 27.57 96.56 92.80 26.73 97.19 92.36 28.98 95.94 92.33 29.85 3 0 11.00-999 ?-999 ?-999 ? CL CL A 207 mLEU^A 164 96.93 90.64 27.31 97.17 90.08 28.09 95.81 88.88 26.09 96.05 88.01 26.92 96.69 90.10 25.98 98.03 89.74 25.35 3 0 9.64-999 ?-999 ?-999 ? CL CL A 207 mLEU^A 165 94.76 88.81 25.28 94.66 89.60 24.67 93.84 87.07 23.88 93.73 87.79 22.89 93.86 87.67 25.29 92.46 88.09 25.74 3 0 7.74-999 ?-999 ?-999 ? CL CL A 207 mGLY^A 166 93.97 85.75 23.81 94.16 85.31 24.69 92.80 83.95 22.63 92.84 83.12 23.54 93.86 85.03 22.54-999.99-999.99-999.99 1 0 9.43-999 ?-999 ?-999 ? CL CL A 207 mVAL^A 167 91.84 83.96 21.70 91.96 84.66 20.99 90.57 82.36 20.36 90.49 83.05 19.34 90.73 83.01 21.72 89.39 83.68 22.10 3 0 9.61-999 ?-999 ?-999 ? CL CL A 207 mGLY^A 168 90.51 81.04 20.34 90.59 80.62 21.24 88.87 79.98 18.83 88.10 79.70 19.75 90.34 80.29 19.10-999.99-999.99-999.99 1 0 12.79-999 ?-999 ?-999 ? CL CL A 207 mTYR^A 169 88.50 80.03 17.56 89.24 80.21 16.92 87.07 78.94 15.90 88.02 78.92 15.13 87.11 79.82 17.15 86.43 81.15 16.84 3 0 13.75-999 ?-999 ?-999 ? CL CL A 207 mPRO.A 170 85.96 78.21 15.71 85.27 78.30 16.43 85.20 78.12 13.36 85.30 77.64 12.23 85.78 77.37 14.54 84.77 76.32 15.03 3 0 17.28-999 ?-999 ?-999 ? CL CL A 207 mSER~A 171 84.58 79.27 13.64 84.65 79.54 14.59 83.64 81.47 13.10 83.73 81.77 14.31 83.88 80.04 12.61 82.51 79.43 12.34 2 0 16.70-999 ?-999 ?-999 ? CL CL A 207 mMETA 172 83.28 82.33 12.15 83.26 81.95 11.23 81.59 83.79 13.18 81.39 84.67 14.03 82.95 83.69 12.48 83.05 84.57 11.23 2 0 14.74-999 ?-999 ?-999 ? CL CL A 207 mGLU~A 173 80.67 82.88 12.86 80.92 82.25 12.13 79.67 82.68 15.06 79.04 83.34 15.88 79.41 82.84 13.57 78.50 81.75 13.01 2 0 15.87-999 ?-999 ?-999 ? CL CL A 207 mALA~A 174 80.61 81.81 15.43 81.07 81.35 14.67 81.43 82.88 17.50 81.09 83.18 18.65 80.91 81.59 16.85 81.90 80.43 17.02 2 0 14.00-999 ?-999 ?-999 ? CL CL A 207 mILE~A 175 82.22 83.67 16.76 82.44 83.30 15.86 81.51 85.87 17.51 81.38 86.44 18.59 82.70 84.95 17.27 83.70 85.65 16.33 3 0 10.65-999 ?-999 ?-999 ? CL CL A 207 mGLU~A 176 80.63 86.00 16.52 80.85 85.48 15.69 78.60 86.45 17.89 78.24 87.32 18.68 79.43 86.83 16.66 78.54 86.75 15.43 2 0 11.90-999 ?-999 ?-999 ? CL CL A 207 mLYS~A 177 78.31 85.16 18.06 78.70 84.55 17.37 78.21 84.95 20.50 77.59 85.36 21.48 77.48 84.73 19.18 77.00 83.28 19.02 2 0 13.06-999 ?-999 ?-999 ? CL CL A 207 mTHR~A 178 79.53 84.72 20.53 79.91 84.38 19.67 80.20 86.44 22.14 79.93 86.76 23.28 80.31 84.97 21.75 81.81 84.61 21.60 2 0 10.05-999 ?-999 ?-999 ? CL CL A 207 mTYR~A 179 80.40 87.34 21.19 80.55 86.96 20.28 78.99 89.30 21.81 78.84 90.22 22.61 80.40 88.76 21.52 81.19 89.60 20.48 3 0 -7.99-999 ?-999 ?-999 ? CL CL A 207s mASP~A 180 77.96 88.71 21.20 78.21 88.04 20.50 76.38 88.81 23.08 75.85 89.68 23.76 76.58 89.04 21.57 75.54 88.23 20.77 2 0 11.41-999 ?-999 ?-999 ? CL CL A 207 mGLU~A 181 76.82 87.67 23.59 77.26 87.05 22.94 77.62 88.18 25.89 77.22 88.73 26.91 76.66 87.38 25.01 76.84 85.89 25.32 2 0 11.63-999 ?-999 ?-999 ? CL CL A 207 mLEU~A 182 78.88 88.22 25.48 79.03 87.80 24.58 79.69 90.29 26.61 79.83 90.70 27.75 79.95 88.82 26.29 81.31 88.68 25.58 3 0 8.31-999 ?-999 ?-999 ? CL CL A 207 mLEU~A 183 79.31 91.06 25.60 79.19 90.59 24.73 77.93 92.81 26.73 77.90 93.88 27.32 79.10 92.50 25.78 78.96 93.19 24.42 3 0 8.52-999 ?-999 ?-999 ? CL CL A 207 mALA~A 184 77.00 91.86 26.89 77.13 91.06 26.31 76.06 91.12 29.07 75.10 90.50 29.52 75.88 92.01 27.84 74.56 91.71 27.15 2 0 12.14-999 ?-999 ?-999 ? CL CL A 207 mHIS~A 185 77.27 91.06 29.59 77.95 91.61 29.10 78.16 91.16 31.86 79.00 92.00 31.58 77.58 90.26 30.78 78.59 89.19 30.43 3 0 12.02-999 ?-999 ?-999 ? CL CL A 207 mSER~A 186 77.74 90.97 33.11 77.16 90.16 33.24 79.64 91.99 34.38 80.19 93.08 34.47 78.11 91.90 34.18 77.37 91.58 35.49 2 0 13.77-999 ?-999 ?-999 ? CL CL A 207 mSER~A 187 80.30 90.84 34.44 79.72 90.03 34.38 82.50 91.52 33.45 83.57 92.11 33.70 81.76 90.79 34.58 82.26 89.34 34.67 2 0 12.01-999 ?-999 ?-999 ? CL CL A 207 mTYR~A 188 81.96 91.50 32.23 81.16 90.91 32.13 82.41 93.77 31.41 83.39 94.50 31.34 82.55 92.28 31.14 81.96 91.96 29.76 3 0 -8.63-999 ?-999 ?-999 ? CL CL A 207s mLYS~A 189 81.19 94.21 31.73 80.49 93.50 31.75 81.80 96.12 33.17 82.25 97.27 33.17 80.94 95.63 32.01 79.45 95.91 32.23 2 0 10.99-999 ?-999 ?-999 ? CL CL A 207 mGLU~A 190 82.06 95.24 34.14 81.57 94.37 34.04 84.42 95.64 34.80 85.14 96.50 35.27 82.97 95.53 35.25 82.89 94.46 36.33 2 0 12.66-999 ?-999 ?-999 ? CL CL A 207 mLEU~A 191 84.84 94.76 33.91 84.17 94.06 33.65 86.44 96.15 32.68 87.53 96.71 32.78 86.19 94.82 33.37 86.42 93.65 32.42 3 0 9.93-999 ?-999 ?-999 ? CL CL A 207 mMETA 192 85.42 96.69 32.03 84.57 96.16 32.09 85.61 99.18 32.20 85.77 100.29 31.70 85.54 97.94 31.30 84.42 98.05 30.28 2 0 9.75-999 ?-999 ?-999 ? CL CL A 207 mTHR~A 193 85.50 99.00 33.51 85.28 98.06 33.79 87.16 100.27 34.81 87.54 101.34 35.27 85.70 100.09 34.45 84.92 99.86 35.74 2 0 13.48-999 ?-999 ?-999 ? CL CL A 207 mPHE~A 194 87.98 99.24 34.62 87.54 98.43 34.23 90.39 98.84 33.89 91.60 98.78 34.13 89.41 99.32 34.97 89.68 98.59 36.30 3 0 13.48-999 ?-999 ?-999 ? CL CL A 207 mALA~A 195 89.89 98.50 32.70 88.90 98.58 32.63 90.27 98.72 30.33 89.07 98.81 30.08 90.74 98.06 31.61 90.73 96.54 31.49 2 0 10.44-999 ?-999 ?-999 ? CL CL A 207 mLYS^A 196 91.21 99.22 29.53 92.14 99.14 29.89 91.46 98.96 27.13 92.68 98.80 27.00 90.90 99.82 28.25 91.47 101.22 28.15 2 0 9.78-999 ?-999 ?-999 ? CL CL A 207 mVAL^A 197 90.57 98.41 26.32 89.62 98.54 26.59 91.59 98.70 24.18 90.98 99.72 23.89 90.98 97.69 25.14 89.77 96.98 24.47 3 0 7.05-999 ?-999 ?-999 ? CL CL A 207 mASN^A 198 92.81 98.44 23.71 93.23 97.61 24.07 93.73 98.62 21.42 94.34 99.20 20.52 93.46 99.33 22.73 94.78 99.91 23.26 2 0 9.80-999 ?-999 ?-999 ? CL CL A 207 mMETA 199 93.29 97.37 21.29 92.84 97.01 22.11 92.63 95.33 20.03 92.54 94.63 21.04 93.46 96.62 20.04 94.94 96.28 19.84 2 0 8.75-999 ?-999 ?-999 ? CL CL A 207 mARG^A 200 91.99 95.04 18.90 92.00 95.77 18.22 91.42 93.37 17.22 91.15 94.17 16.34 91.32 93.75 18.70 89.87 93.79 19.14 2 0 -6.91-999 ?-999 ?-999 ? CL CL A 207s mASN^A 201 91.81 92.13 16.93 91.94 91.54 17.73 91.72 90.25 15.35 91.88 89.44 16.27 92.01 91.72 15.55 93.45 91.93 15.11 2 0 9.64-999 ?-999 ?-999 ? CL CL A 207 mILE^A 202 91.32 89.91 14.13 91.26 90.68 13.49 92.18 88.01 12.93 92.67 88.71 12.02 91.02 88.53 13.77 89.67 88.42 12.97 3 0 11.33-999 ?-999 ?-999 ? CL CL A 207 mILE^A 203 92.65 86.80 13.25 92.27 86.44 14.10 92.91 84.91 11.75 92.18 84.19 12.41 93.62 86.08 12.42 94.76 85.48 13.26 3 0 14.32-999 ?-999 ?-999 ? CL CL A 207 mLYS^A 204 93.13 84.73 10.45 93.65 85.46 10.02 93.74 82.50 9.69 94.82 82.76 9.14 92.63 83.54 9.75 92.18 83.86 8.34 2 0 13.69-999 ?-999 ?-999 ? CL CL B 207 mILE^A 205 93.49 81.33 10.26 92.60 81.24 10.69 94.67 79.80 8.79 93.69 79.48 8.11 94.49 80.29 10.23 94.12 79.10 11.13 3 0 16.98-999 ?-999 ?-999 ? CL CL B 207 mLEU~A 206 95.93 79.78 8.33 96.60 80.13 8.98 96.83 77.87 7.19 97.49 77.64 8.21 96.29 79.27 7.01 97.38 80.13 6.34 3 0 17.06-999 ?-999 ?-999 ? CL CL B 207 mSER~B 2 77.96 114.60 -11.05 78.74 114.54 -11.67 76.13 113.32 -9.95 75.17 113.20 -9.19 76.79 114.68 -10.13 75.78 115.73 -10.62 2 0 26.88-999 ?-999 ?-999 ? CL CL B 207 mASN~B 3 76.64 112.30 -10.65 77.24 112.59 -11.40 77.18 110.42 -9.15 76.96 109.32 -8.64 76.34 110.90 -10.34 76.60 110.01 -11.55 2 0 24.34-999 ?-999 ?-999 ? CL CL B 207 mILE~B 4 78.14 111.24 -8.73 78.25 112.05 -9.32 78.19 111.45 -6.30 77.53 112.49 -6.30 78.96 111.01 -7.55 80.26 111.82 -7.63 3 0 21.94-999 ?-999 ?-999 ? CL CL B 207 mASN^B 5 78.26 110.64 -5.25 78.73 109.78 -5.44 78.85 111.08 -2.91 80.01 110.91 -3.25 77.71 110.98 -3.93 76.68 109.94 -3.49 2 0 21.38-999 ?-999 ?-999 ? CL CL B 207 mTYR^B 6 78.50 111.39 -1.67 77.51 111.41 -1.51 79.14 110.96 0.63 77.96 110.69 0.91 79.49 111.68 -0.64 79.62 113.19 -0.42 3 0 20.57-999 ?-999 ?-999 ? CL CL B 207 mVAL^B 7 80.21 110.60 1.36 81.08 110.82 0.93 80.97 110.63 3.68 82.16 110.88 3.46 80.11 109.93 2.64 80.54 108.48 2.55 3 0 18.73-999 ?-999 ?-999 ? CL CL B 207 mILE^B 8 80.36 110.94 4.81 79.39 110.73 4.85 81.30 110.41 6.92 80.38 109.68 7.24 81.08 111.53 5.90 80.28 112.67 6.54 3 0 20.26-999 ?-999 ?-999 ? CL CL B 207 mLEU^B 9 82.53 110.26 7.39 83.20 110.89 7.00 83.43 109.99 9.56 84.41 110.69 9.40 82.84 109.28 8.39 83.87 108.30 7.82 3 0 18.44-999 ?-999 ?-999 ? CL CL B 207 mTHR^B 10 82.83 109.81 10.74 82.04 109.20 10.71 83.62 109.43 13.01 82.86 108.47 13.15 83.33 110.48 11.96 82.32 111.48 12.53 2 0 20.94-999 ?-999 ?-999 ? CL CL B 207 mVAL^B 11 84.72 109.60 13.74 85.24 110.43 13.54 85.38 109.33 16.07 86.12 110.32 16.10 85.12 108.63 14.75 86.36 107.86 14.32 3 0 19.41-999 ?-999 ?-999 ? CL CL A 207 mALA^B 12 84.83 108.78 17.16 84.30 107.95 16.97 85.34 108.28 19.50 84.82 107.17 19.44 84.98 109.33 18.49 83.71 109.99 18.91 2 0 18.61-999 ?-999 ?-999 ? CL CL A 207 mSER^B 13 86.20 108.62 20.45 86.68 109.48 20.27 85.34 108.14 22.66 85.05 109.32 22.85 86.39 107.78 21.65 87.78 108.00 22.25 2 0 16.25-999 ?-999 ?-999 ? CL CL A 207 mVAL^B 14 84.76 107.13 23.30 85.18 106.24 23.12 83.81 106.45 25.43 84.21 105.30 25.33 83.63 107.30 24.19 82.36 106.85 23.49 3 0 16.02-999 ?-999 ?-999 ? CL CL A 207 mASP~B 15 83.48 107.00 26.59 83.20 107.96 26.55 82.61 105.05 27.64 81.56 105.17 27.01 83.54 106.21 27.82 83.15 107.02 29.06 2 0 15.46-999 ?-999 ?-999 ? CL CL A 207 mPHE~B 16 83.02 103.92 28.17 83.86 103.98 28.72 80.87 102.76 28.46 79.99 102.25 27.80 82.30 102.68 27.96 83.06 101.53 28.61 3 0 12.71-999 ?-999 ?-999 ? CL CL A 207 mSER~B 17 80.67 103.42 29.60 81.51 103.79 29.99 78.36 104.41 29.41 77.15 104.18 29.45 79.35 103.58 30.24 79.56 104.24 31.62 2 0 15.62-999 ?-999 ?-999 ? CL CL A 207 mTYR~B 18 78.89 105.34 28.63 79.88 105.33 28.64 77.71 105.73 26.44 76.96 106.37 25.69 78.09 106.27 27.82 78.89 107.56 27.65 3 0 17.68-999 ?-999 ?-999 ? CL CL A 207 mARG~B 19 78.21 104.54 26.11 78.72 104.12 26.86 76.54 103.75 24.38 76.17 104.04 23.24 78.01 103.92 24.80 78.63 102.51 24.80 2 0 15.40-999 ?-999 ?-999 ? CL CL A 207 mGLU~B 20 75.71 103.23 25.28 76.10 103.09 26.19 73.52 104.18 24.93 72.74 104.39 24.00 74.33 102.91 24.95 73.80 101.83 25.89 2 0 17.22-999 ?-999 ?-999 ? CL CL A 207 mTHR~B 21 73.73 105.04 25.93 74.29 104.65 26.67 73.43 107.08 24.61 72.49 107.59 23.98 73.22 106.41 25.95 73.98 107.22 27.02 2 0 20.50-999 ?-999 ?-999 ? CL CL A 207 mMETB 22 74.68 107.06 24.17 75.32 106.55 24.74 74.35 107.23 21.70 73.96 108.02 20.85 75.05 107.75 22.95 76.57 107.79 22.74 2 0 20.26-999 ?-999 ?-999 ? CL CL A 207 mALA~B 23 74.17 105.92 21.58 74.51 105.38 22.35 72.03 105.78 20.34 71.50 105.97 19.25 73.51 105.36 20.41 73.67 103.85 20.35 2 0 19.80-999 ?-999 ?-999 ? CL CL A 207 mARG~B 24 71.40 105.96 21.51 71.97 105.75 22.31 69.91 107.89 21.29 69.01 108.28 20.56 70.03 106.40 21.62 69.50 106.05 23.01 2 0 22.86-999 ?-999 ?-999 ? CL CL A 207 mLEU~B 25 70.83 108.70 21.80 71.46 108.27 22.45 71.07 110.20 19.89 70.38 110.96 19.22 70.87 110.09 21.41 71.96 110.83 22.19 3 0 24.85-999 ?-999 ?-999 ? CL CL A 207 mMETB 26 71.98 109.40 19.35 72.38 108.73 19.98 71.22 109.17 16.99 71.11 109.76 15.93 72.35 109.53 17.95 73.60 108.74 17.64 2 0 24.09-999 ?-999 ?-999 ? CL CL A 207 mSER~B 27 70.36 108.23 17.33 70.52 107.79 18.21 68.30 109.12 16.33 67.70 109.36 15.28 69.27 107.92 16.42 68.54 106.66 16.85 2 0 25.47-999 ?-999 ?-999 ? CL CL A 207 mSER~B 28 68.17 109.86 17.42 68.66 109.50 18.22 68.04 112.06 16.48 67.40 112.57 15.56 67.39 111.08 17.44 67.32 111.66 18.86 2 0 28.61-999 ?-999 ?-999 ? CL CL A 207 mTYR~B 29 69.34 112.28 16.69 69.72 111.79 17.48 70.11 112.72 14.37 70.12 113.58 13.49 70.13 113.15 15.85 71.54 113.26 16.42 3 0 28.70-999 ?-999 ?-999 ? CL CL A 207 mSER~B 30 70.05 111.42 14.11 70.11 110.84 14.92 68.60 111.29 12.11 68.59 111.79 10.99 69.91 110.88 12.74 70.05 109.35 12.71 2 0 28.27-999 ?-999 ?-999 ? CL CL B 207 mLYS~B 31 67.48 111.07 12.81 67.62 110.66 13.71 66.19 112.91 11.83 65.74 113.24 10.74 66.16 111.44 12.27 65.03 111.17 13.27 2 0 31.06-999 ?-999 ?-999 ? CL CL B 207 mASP~B 32 66.80 113.76 12.65 67.15 113.34 13.49 67.69 115.43 11.02 67.25 116.20 10.19 66.93 115.18 12.35 67.58 115.89 13.54 2 0 32.88-999 ?-999 ?-999 ? CL CL B 207 mLEU~B 33 68.82 114.74 10.82 69.08 114.15 11.59 68.84 114.30 8.38 68.88 114.87 7.30 69.60 114.86 9.58 70.94 114.12 9.70 3 0 30.03-999 ?-999 ?-999 ? CL CL B 207 mILE~B 34 68.18 113.16 8.58 68.27 112.80 9.51 66.23 113.40 7.08 65.98 113.55 5.89 67.40 112.52 7.53 66.86 111.15 8.04 3 0 29.44-999 ?-999 ?-999 ? CL CL B 207 mASP~B 35 65.53 114.00 8.05 65.88 113.82 8.97 64.74 116.26 7.28 64.11 116.77 6.36 64.37 114.85 7.76 63.47 114.96 9.00 2 0 33.21-999 ?-999 ?-999 ? CL CL B 207 mASN~B 36 65.75 116.88 7.88 66.29 116.29 8.48 67.29 118.66 6.87 67.35 119.72 6.26 66.02 118.32 7.66 66.05 119.04 9.01 2 0 34.41-999 ?-999 ?-999 ? CL CL B 207 mALA~B 37 68.29 117.78 6.87 68.12 116.97 7.43 69.54 117.26 4.76 70.46 117.44 3.96 69.53 118.01 6.10 70.74 117.61 6.93 2 0 31.66-999 ?-999 ?-999 ? CL CL B 207 mGLY~B 38 68.52 116.44 4.52 67.82 116.42 5.24 69.42 114.48 3.28 69.76 114.00 2.20 68.45 115.65 3.31-999.99-999.99-999.99 1 0 30.25-999 ?-999 ?-999 ? CL CL B 207 mALA~B 39 69.86 114.02 4.46 69.55 114.54 5.25 70.02 111.60 4.03 68.89 111.32 4.42 70.73 112.84 4.55 71.18 112.59 6.00 2 0 26.78-999 ?-999 ?-999 ? CL CL B 207 mLYS~B 40 70.69 110.85 3.16 71.61 111.20 2.97 70.50 108.40 3.39 70.96 107.37 2.86 70.14 109.63 2.55 70.66 109.48 1.12 2 0 24.81-999 ?-999 ?-999 ? CL CL B 207 mGLY~B 41 70.33 108.51 4.70 69.93 109.38 4.99 71.89 107.80 6.48 72.67 108.68 6.16 70.70 107.44 5.60-999.99-999.99-999.99 1 0 23.38-999 ?-999 ?-999 ? CL CL B 207 mTHR^B 42 71.97 107.11 7.61 71.17 106.54 7.79 73.39 105.79 9.09 72.54 104.92 9.07 73.11 107.17 8.51 72.84 108.11 9.67 2 0 22.18-999 ?-999 ?-999 ? CL CL B 207 mARG^B 43 74.61 105.58 9.59 75.25 106.33 9.42 75.73 104.75 11.52 76.56 105.66 11.45 74.93 104.36 10.32 75.79 103.40 9.50 2 0 19.97-999 ?-999 ?-999 ? CL CL B 207 mPHE^B 44 75.50 104.06 12.63 74.80 103.35 12.53 76.55 103.00 14.51 75.70 102.11 14.70 76.20 104.32 13.85 75.35 105.19 14.78 3 0 19.68-999 ?-999 ?-999 ? CL CL A 207 mGLY^B 45 77.82 102.86 14.86 78.39 103.67 14.78 79.58 101.66 16.08 80.12 102.73 16.27 78.29 101.57 15.32-999.99-999.99-999.99 1 0 15.97-999 ?-999 ?-999 ? CL CL A 207 mSER^B 46 80.04 100.51 16.53 79.48 99.72 16.28 82.27 99.76 16.42 81.96 98.79 15.72 81.23 100.38 17.31 80.91 99.46 18.49 2 0 12.56-999 ?-999 ?-999 ? CL CL A 207 mILE^B 47 83.48 100.33 16.39 83.58 101.17 16.92 85.06 98.52 16.41 85.52 98.66 17.53 84.55 99.72 15.61 85.69 100.70 15.38 3 0 11.94-999 ?-999 ?-999 ? CL CL A 207 mGLY~B 48 85.00 97.34 15.82 84.73 97.37 14.86 86.76 95.70 16.45 87.21 94.93 17.26 85.31 96.12 16.52-999.99-999.99-999.99 1 0 8.93-999 ?-999 ?-999 ? CL CL A 207 mTHR~B 49 87.50 96.22 15.50 87.08 96.98 15.00 89.87 96.80 15.03 89.54 97.97 14.86 88.82 95.69 15.22 88.71 94.77 13.98 2 0 9.75-999 ?-999 ?-999 ? CL CL A 207 mGLY~B 50 91.14 96.43 15.05 91.26 95.46 15.26 92.56 98.21 15.99 92.05 97.98 17.06 92.24 97.34 14.79-999.99-999.99-999.99 1 0 11.83-999 ?-999 ?-999 ? CL CL A 207 mASP~B 51 93.40 99.21 15.80 93.68 99.34 14.85 92.78 100.98 17.47 92.90 101.43 18.60 93.85 100.05 16.90 95.07 100.87 16.48 2 0 12.71-999 ?-999 ?-999 ? CL CL A 207 mHIS~B 52 91.75 101.27 16.69 91.81 100.89 15.77 89.50 101.20 17.73 88.38 101.68 17.82 90.63 102.07 17.17 90.04 102.89 16.02 3 0 12.81-999 ?-999 ?-999 ? CL CL A 207 mALA~B 53 89.78 99.94 18.08 90.73 99.67 17.96 88.12 99.71 19.82 88.84 100.19 20.68 88.73 99.06 18.59 89.25 97.67 18.93 2 0 9.22-999 ?-999 ?-999 ? CL CL A 207 mGLY~B 54 86.80 99.80 19.84 86.34 99.39 19.05 85.70 101.87 20.66 84.83 102.42 21.32 86.09 100.43 20.94-999.99-999.99-999.99 1 0 9.32-999 ?-999 ?-999 ? CL CL A 207 mSER~B 55 86.32 102.50 19.69 87.12 102.03 19.32 84.44 103.59 18.57 84.10 102.50 18.12 85.81 103.79 19.22 86.77 104.43 18.22 2 0 13.07-999 ?-999 ?-999 ? CL CL A 207 mLEU^B 56 83.64 104.66 18.57 84.00 105.46 19.06 82.53 105.43 16.59 83.37 106.33 16.52 82.35 104.65 17.89 81.21 105.22 18.76 3 0 15.16-999 ?-999 ?-999 ? CL CL A 207 mILE^B 57 81.76 105.02 15.57 81.14 104.27 15.81 80.41 105.99 13.81 79.44 105.27 14.03 81.82 105.59 14.24 82.47 104.61 13.20 3 0 17.85-999 ?-999 ?-999 ? CL CL A 207 mPHE^B 58 80.32 107.17 13.19 81.17 107.68 13.17 79.25 107.88 11.09 80.24 108.48 10.67 79.06 107.64 12.61 78.63 108.94 13.30 3 0 20.74-999 ?-999 ?-999 ? CL CL B 207 mILE^B 59 78.32 107.40 10.28 77.53 106.99 10.74 77.25 108.18 8.23 76.11 107.78 8.50 78.48 107.50 8.82 78.66 106.12 8.16 3 0 19.11-999 ?-999 ?-999 ? CL CL B 207 mGLN^B 60 77.49 109.22 7.44 78.45 109.43 7.28 76.48 109.89 5.35 77.57 109.99 4.82 76.38 109.97 6.86 76.42 111.43 7.28 2 0 21.50-999 ?-999 ?-999 ? CL CL B 207 mPHE^B 61 75.35 109.75 4.67 74.54 109.68 5.26 74.60 110.93 2.64 73.47 111.25 3.02 75.30 109.70 3.21 74.59 108.41 2.73 3 0 21.28-999 ?-999 ?-999 ? CL CL B 207 mTYR^B 62 75.29 111.63 1.73 76.21 111.28 1.57 74.96 112.70 -0.49 76.02 112.27 -0.93 74.73 112.79 1.02 75.33 114.11 1.53 3 0 23.96-999 ?-999 ?-999 ? CL CL B 207 mASP~B 63 73.95 113.12 -1.25 73.14 113.38 -0.73 74.92 114.34 -3.18 75.53 114.28 -4.26 74.04 113.18 -2.71 72.64 113.33 -3.32 2 0 24.98-999 ?-999 ?-999 ? CL CL B 207 mASP~B 64 74.98 115.39 -2.37 74.42 115.30 -1.54 76.36 117.14 -1.40 75.83 116.89 -0.34 75.79 116.58 -2.69 74.98 117.64 -3.46 2 0 26.84-999 ?-999 ?-999 ? CL CL B 207 mLEU~B 65 77.47 117.87 -1.50 77.81 117.96 -2.43 77.25 119.60 0.30 77.43 119.93 1.46 78.10 118.48 -0.31 79.51 118.98 -0.62 3 0 27.28-999 ?-999 ?-999 ? CL CL B 207 mTHR~B 66 76.31 120.17 -0.46 76.34 119.91 -1.42 74.57 120.47 1.28 74.34 121.12 2.32 75.35 121.11 0.14 74.32 121.63 -0.87 2 0 30.80-999 ?-999 ?-999 ? CL CL B 207 mGLY~B 67 74.18 119.20 1.08 74.37 118.85 0.17 74.30 118.44 3.39 73.75 118.68 4.46 73.51 118.42 2.11-999.99-999.99-999.99 1 0 29.34-999 ?-999 ?-999 ? CL CL B 207 mTYR~B 68 75.61 118.19 3.29 75.92 118.01 2.36 76.51 119.56 5.11 76.51 119.68 6.34 76.47 118.19 4.47 77.89 117.71 4.16 3 0 27.88-999 ?-999 ?-999 ? CL CL B 207 mGLN~B 69 76.53 120.60 4.28 76.54 120.35 3.32 75.26 122.28 5.54 75.32 122.99 6.53 76.54 121.97 4.77 76.71 122.95 3.61 2 0 28.50-999 ?-999 ?-999 ? CL CL D 208 mLYS~B 70 74.13 121.75 5.07 74.22 121.27 4.21 72.97 121.12 7.11 72.54 121.60 8.15 72.87 121.90 5.80 71.67 121.43 4.96 2 0 31.18-999 ?-999 ?-999 ? CL CL D 208 mALA~B 71 73.59 119.93 7.08 73.88 119.65 6.16 74.61 119.91 9.35 74.32 119.83 10.55 73.81 119.14 8.29 74.47 117.81 7.95 2 0 30.61-999 ?-999 ?-999 ? CL CL D 208 mLEU~B 72 75.63 120.65 8.91 75.80 120.57 7.93 75.55 122.59 10.48 75.76 122.93 11.64 76.40 121.50 9.81 77.57 122.14 9.06 3 0 26.94-999 ?-999 ?-999 ? CL CL D 208 mGLU~B 73 74.60 123.15 9.74 74.57 122.84 8.79 72.75 123.47 11.35 72.40 124.08 12.35 73.69 124.14 10.32 72.88 124.89 9.25 2 0 28.30-999 ?-999 ?-999 ? CL CL D 208 mILE~B 74 72.37 122.22 11.10 72.70 121.85 10.23 72.29 121.23 13.37 71.69 121.29 14.43 71.54 121.47 12.05 71.07 120.09 11.46 3 0 30.78-999 ?-999 ?-999 ? CL CL D 208 mGLN~B 75 73.58 120.93 13.31 73.95 120.89 12.38 74.31 121.86 15.47 74.01 121.68 16.65 74.38 120.70 14.51 75.83 120.54 14.16 2 0 28.15-999 ?-999 ?-999 ? CL CL D 208 mSER~B 76 74.62 123.04 14.96 74.81 123.00 13.98 73.40 124.50 16.53 73.45 125.08 17.61 74.67 124.26 15.74 74.90 125.45 14.81 2 0 26.46-999 ?-999 ?-999 ? CL CL D 208 mLYS~B 77 72.27 124.09 15.97 72.40 123.64 15.08 70.48 123.07 17.42 69.51 123.17 18.17 70.96 124.28 16.60 69.90 124.65 15.54 2 0 29.94-999 ?-999 ?-999 ? CL CL D 208 mSER~B 78 71.16 121.93 17.30 72.00 122.01 16.76 71.03 120.52 19.40 72.19 120.56 19.79 70.69 120.68 17.92 71.25 119.48 17.17 2 0 31.38-999 ?-999 ?-999 ? CL CL D 208 mSER~B 79 69.99 120.28 20.22 69.11 120.27 19.74 70.81 118.73 21.99 71.64 118.67 22.89 70.14 120.04 21.67 68.79 120.06 22.37 2 0 32.39-999 ?-999 ?-999 ? CL CL D 208 mVAL~B 80 70.39 117.68 21.27 69.64 117.89 20.64 72.50 116.39 21.11 73.27 115.80 21.85 70.99 116.35 21.41 70.28 115.31 20.53 3 0 29.70-999 ?-999 ?-999 ? CL CL A 207 mPHE~B 81 72.90 117.11 20.07 72.17 117.53 19.53 75.03 118.00 20.91 76.08 117.54 21.37 74.31 117.26 19.77 74.53 117.96 18.42 3 0 29.00-999 ?-999 ?-999 ? CL CL A 207 mLYS~B 82 74.44 119.10 21.37 73.59 119.35 20.92 75.24 118.98 23.70 76.30 119.00 24.33 75.04 119.87 22.47 74.21 121.10 22.84 2 0 28.20-999 ?-999 ?-999 ? CL CL D 208 mGLU~B 83 74.22 118.18 24.02 73.43 118.23 23.41 75.49 116.35 25.14 76.16 116.14 26.15 74.30 117.32 25.18 73.01 116.54 25.41 2 0 28.77-999 ?-999 ?-999 ? CL CL A 207 mILE~B 84 75.74 115.76 23.97 75.12 116.03 23.24 78.21 115.49 23.97 79.09 114.95 24.60 76.85 114.81 23.81 76.82 114.07 22.46 3 0 25.38-999 ?-999 ?-999 ? CL CL A 207 mMETB 85 78.34 116.69 23.41 77.53 117.01 22.92 79.79 118.01 24.94 80.92 118.08 25.40 79.58 117.46 23.53 79.63 118.59 22.49 2 0 25.88-999 ?-999 ?-999 ? CL CL D 208 mASP~B 86 78.71 118.42 25.60 77.85 118.36 25.09 79.05 117.79 27.99 79.51 118.04 29.11 78.81 118.91 26.98 77.55 119.67 27.38 2 0 26.71-999 ?-999 ?-999 ? CL CL D 208 mSER~B 87 78.76 116.56 27.59 78.45 116.48 26.65 80.34 115.24 28.96 80.61 114.75 30.06 78.89 115.44 28.52 78.39 114.14 27.90 2 0 25.59-999 ?-999 ?-999 ? CL CL A 207 mGLY~B 88 81.28 115.59 28.10 80.95 116.07 27.29 83.00 113.80 28.25 84.10 113.39 28.57 82.67 115.28 28.36-999.99-999.99-999.99 1 0 24.41-999 ?-999 ?-999 ? CL CL A 207 mLYS~B 89 82.05 112.99 27.77 81.20 113.45 27.51 82.57 111.10 26.22 82.91 109.96 26.00 82.27 111.55 27.66 81.08 110.77 28.21 2 0 20.80-999 ?-999 ?-999 ? CL CL A 207 mALA^B 90 82.45 112.01 25.27 82.21 112.92 25.59 83.70 112.64 23.28 83.58 113.85 23.42 82.67 111.68 23.87 81.32 111.73 23.08 2 0 20.50-999 ?-999 ?-999 ? CL CL A 207 mASN^B 91 84.71 112.11 22.62 84.70 111.11 22.61 85.91 112.55 20.48 86.45 111.51 20.15 85.72 112.92 21.97 87.03 112.78 22.73 2 0 21.36-999 ?-999 ?-999 ? CL CL A 207 mILE^B 92 85.45 113.43 19.59 84.99 114.21 20.00 87.05 113.56 17.83 87.51 114.65 18.13 85.62 113.26 18.15 84.74 114.26 17.39 3 0 22.39-999 ?-999 ?-999 ? CL CL A 207 mTYR^B 93 87.77 112.57 17.28 87.26 111.73 17.12 89.51 112.54 15.47 90.64 112.70 15.04 89.19 112.75 16.95 90.09 111.85 17.83 3 0 22.25-999 ?-999 ?-999 ? CL CL A 207 mLEU^B 94 88.52 112.18 14.68 87.63 112.08 15.12 87.45 112.19 12.57 86.42 111.75 13.05 88.75 111.97 13.28 89.29 110.57 13.06 3 0 22.16-999 ?-999 ?-999 ? CL CL B 207 mARG^B 95 87.49 112.96 11.48 88.36 113.43 11.35 86.90 113.28 9.16 87.72 114.18 8.92 86.37 113.07 10.55 85.40 114.21 10.91 2 0 21.92-999 ?-999 ?-999 ? CL CL B 207 mASN^B 96 86.47 112.45 8.22 85.85 111.75 8.56 85.76 112.29 5.86 84.78 111.64 6.24 86.90 112.59 6.82 88.08 111.65 6.56 2 0 20.07-999 ?-999 ?-999 ? CL CL B 207 mILE^B 97 85.89 112.78 4.63 86.77 113.23 4.48 85.35 111.79 2.46 86.52 111.87 2.06 84.86 112.68 3.59 84.51 114.06 2.99 3 0 19.79-999 ?-999 ?-999 ? CL CL B 207 mSER^B 98 84.46 110.94 1.94 83.57 110.93 2.40 83.81 110.30 -0.33 82.65 110.60 -0.09 84.80 110.09 0.80 84.78 108.60 1.18 2 0 17.13-999 ?-999 ?-999 ? CL CL B 207 mTHR^B 99 84.26 110.11 -1.56 85.26 110.03 -1.64 82.65 108.67 -2.61 83.16 107.75 -1.99 83.33 110.04 -2.67 84.02 110.15 -4.03 2 0 17.88-999 ?-999 ?-999 ? CL CL B 207 mSER^B 100 81.49 108.57 -3.24 81.15 109.44 -3.59 80.46 107.23 -4.89 79.67 108.04 -5.37 80.79 107.30 -3.40 79.53 107.28 -2.54 2 0 16.65-999 ?-999 ?-999 ? CL CL B 207 mLEU~B 101 81.09 106.30 -5.59 81.66 105.68 -5.05 79.99 105.08 -7.41 79.83 104.11 -6.67 80.96 106.19 -7.04 82.30 105.89 -7.67 3 0 17.06-999 ?-999 ?-999 ? CL CL B 207 mPRO~B 102 79.33 105.22 -8.58 79.49 106.11 -9.01 79.10 102.84 -9.36 80.14 102.73 -10.00 78.45 104.21 -9.19 78.17 104.80 -10.57 3 0 18.17-999 ?-999 ?-999 ? CL CL B 207 mTHR~B 103 78.46 101.81 -8.81 77.66 102.06 -8.27 77.77 99.57 -9.51 76.61 99.88 -9.28 78.92 100.43 -9.00 79.40 99.81 -7.70 2 0 15.81-999 ?-999 ?-999 ? CL CL B 207 mLYS~B 104 78.12 98.48 -10.18 79.11 98.37 -10.29 76.78 96.51 -9.61 77.11 95.35 -9.76 77.13 97.54 -10.69 77.67 96.82 -11.93 2 0 17.14-999 ?-999 ?-999 ? CL CL B 207 mPHE~B 105 76.14 96.94 -8.54 75.85 97.90 -8.58 74.47 96.26 -6.92 74.03 97.39 -6.77 75.89 96.06 -7.40 76.88 96.35 -6.27 3 0 15.75-999 ?-999 ?-999 ? CL CL B 207 mGLU~B 106 73.78 95.16 -6.68 74.31 94.31 -6.79 72.21 95.58 -4.84 72.39 94.75 -3.95 72.38 95.17 -6.30 71.79 93.78 -6.53 2 0 18.17-999 ?-999 ?-999 ? CL CL B 207 mGLN~B 107 71.85 96.84 -4.61 71.71 97.39 -5.43 70.45 96.74 -2.57 69.40 96.64 -3.19 71.69 97.34 -3.24 71.56 98.88 -3.22 2 0 18.16-999 ?-999 ?-999 ? CL CL B 207 mSER~B 108 70.58 96.37 -1.30 71.52 96.45 -0.95 69.02 96.97 0.50 69.82 97.81 0.91 69.46 95.89 -0.49 69.89 94.62 0.26 2 0 19.64-999 ?-999 ?-999 ? CL CL B 207 mTYR~B 109 67.74 96.94 0.86 67.24 96.18 0.46 67.29 97.54 3.24 67.00 98.33 4.14 67.14 97.93 1.77 65.63 98.06 1.44 3 0 22.22-999 ?-999 ?-999 ? CL CL B 207 mGLU~B 110 67.77 96.32 3.47 68.00 95.81 2.64 69.04 96.52 5.58 70.14 96.71 5.07 67.94 95.77 4.81 68.29 94.31 4.67 2 0 21.40-999 ?-999 ?-999 ? CL CL B 207 mHIS~B 111 68.72 96.96 6.80 67.76 96.85 7.04 70.71 96.39 7.96 70.30 95.27 8.33 69.72 97.53 7.67 69.10 98.09 8.95 3 0 20.67-999 ?-999 ?-999 ? CL CL B 207 mPRO~B 112 72.01 96.64 7.73 72.23 97.54 7.35 73.30 95.59 9.50 73.04 96.57 10.19 73.00 95.62 8.02 74.22 96.09 7.23 3 0 17.47-999 ?-999 ?-999 ? CL CL B 207 mLYS~B 113 73.82 94.47 9.98 73.89 93.72 9.32 75.74 94.70 11.46 76.18 95.24 12.45 74.24 94.37 11.35 73.83 93.00 11.92 2 0 17.91-999 ?-999 ?-999 ? CL CL B 207 mTYR^B 114 76.52 94.39 10.42 76.03 93.94 9.67 78.32 95.39 9.09 77.68 95.19 8.06 77.95 94.69 10.38 78.78 93.43 10.53 3 0 14.41-999 ?-999 ?-999 ? CL CL B 207 mILE^B 115 79.37 96.22 9.18 79.68 96.38 10.11 81.49 96.56 8.02 82.13 96.65 9.06 79.99 96.84 8.00 79.77 98.36 7.98 3 0 11.77-999 ?-999 ?-999 ? CL CL B 207 mVAL^B 116 82.02 96.18 6.86 81.36 96.03 6.13 83.93 97.20 5.86 83.48 97.40 4.74 83.45 96.01 6.70 83.76 94.65 6.01 3 0 8.22-999 ?-999 ?-999 ? CL CL B 207 mLEU^B 117 84.83 98.01 6.43 84.98 97.85 7.40 86.86 98.52 5.35 87.51 97.99 6.24 85.50 99.05 5.66 85.70 100.33 6.44 3 0 7.97-999 ?-999 ?-999 ? CL CL B 207 mTHR^B 118 87.27 98.69 4.09 86.57 99.09 3.50 89.16 99.57 2.94 88.43 100.27 2.25 88.60 98.34 3.61 88.51 97.27 2.53 2 0 -5.50-999 ?-999 ?-999 ? CL CL B 207s mARG^B 119 90.46 99.80 3.12 90.93 99.11 3.67 92.38 100.52 1.89 93.11 99.69 2.42 91.12 100.97 2.56 91.46 101.97 3.65 2 0 7.96-999 ?-999 ?-999 ? CL CL B 207 mALA^B 120 92.63 101.07 0.70 91.98 101.78 0.42 94.47 101.85 -0.74 93.89 102.93 -0.90 93.76 100.66 -0.09 93.33 99.62 -1.13 2 0 8.77-999 ?-999 ?-999 ? CL CL B 207 mGLU^B 121 95.73 101.62 -1.10 96.07 100.72 -0.84 96.75 102.15 -3.23 97.11 101.01 -3.49 96.54 102.60 -1.78 97.89 102.73 -1.06 2 0 12.26-999 ?-999 ?-999 ? CL CL B 207 mALA~B 122 96.51 103.05 -4.17 96.22 103.95 -3.83 96.74 104.00 -6.39 96.24 105.03 -5.95 96.67 102.72 -5.58 95.51 101.85 -6.05 2 0 13.81-999 ?-999 ?-999 ? CL CL B 207 mALA~B 123 97.38 103.94 -7.56 97.76 103.04 -7.77 96.10 105.61 -8.82 95.18 104.81 -8.98 97.49 105.11 -8.43 98.27 104.76 -9.66 2 0 17.33-999 ?-999 ?-999 ? CL CL B 207 mMETB 124 95.95 106.93 -8.95 96.75 107.47 -8.68 94.47 107.08 -10.93 93.32 107.00 -11.39 94.70 107.50 -9.46 94.68 109.04 -9.32 2 0 18.50-999 ?-999 ?-999 ? CL CL B 207 mSER~B 125 95.56 106.80 -11.66 96.42 106.97 -11.18 94.88 104.86 -13.13 94.41 104.46 -14.20 95.46 106.28 -13.03 96.84 106.33 -13.71 2 0 20.17-999 ?-999 ?-999 ? CL CL B 207 mASP~B 126 94.90 104.11 -12.02 95.37 104.53 -11.25 92.82 102.81 -11.54 92.24 101.77 -11.24 94.29 102.77 -11.97 95.02 101.86 -10.97 2 0 16.92-999 ?-999 ?-999 ? CL CL B 207 mLYS~B 127 92.22 104.00 -11.49 92.76 104.76 -11.86 89.83 103.25 -11.64 88.93 102.71 -11.02 90.87 104.12 -10.92 90.41 105.59 -10.86 2 0 16.18-999 ?-999 ?-999 ? CL CL B 207 mASP~B 128 90.00 103.11 -12.95 90.81 103.56 -13.31 89.27 100.83 -13.61 88.30 100.07 -13.49 89.06 102.34 -13.77 89.19 102.75 -15.23 2 0 17.31-999 ?-999 ?-999 ? CL CL B 207 mLYS~B 129 90.53 100.41 -13.64 91.20 101.11 -13.90 90.24 98.62 -12.01 89.63 97.55 -11.87 90.89 99.02 -13.32 92.41 98.85 -13.13 2 0 15.58-999 ?-999 ?-999 ? CL CL B 207 mPHE~B 130 90.40 99.51 -11.03 90.93 100.32 -11.29 88.35 99.08 -9.82 87.82 98.04 -9.42 89.85 99.30 -9.70 90.15 100.52 -8.80 3 0 12.31-999 ?-999 ?-999 ? CL CL B 207 mLEU~B 131 87.66 100.04 -10.42 88.22 100.79 -10.77 85.77 98.68 -11.23 84.78 98.08 -10.81 86.21 99.97 -10.53 85.69 101.20 -11.27 3 0 13.59-999 ?-999 ?-999 ? CL CL B 207 mASN~B 132 86.50 98.25 -12.26 87.25 98.86 -12.50 86.29 95.74 -12.08 85.42 94.88 -12.16 86.19 96.98 -12.95 87.14 96.76 -14.13 2 0 14.73-999 ?-999 ?-999 ? CL CL B 207 mCYH~B 133 87.35 95.63 -11.29 88.03 96.36 -11.40 86.30 94.50 -9.41 85.71 93.45 -9.16 87.48 94.52 -10.34 88.69 94.65 -9.44 2 0 11.56-999 ?-999 ?-999 ? CL CL B 207 mILE~B 134 85.98 95.67 -8.85 86.56 96.44 -9.12 83.60 95.23 -8.59 82.89 94.42 -8.00 84.86 95.77 -7.93 84.63 97.23 -7.42 3 0 10.14-999 ?-999 ?-999 ? CL CL B 207 mASN~B 135 83.34 95.63 -9.82 84.02 96.26 -10.20 82.24 93.69 -10.96 81.23 93.01 -11.03 82.16 95.16 -10.54 81.87 96.04 -11.75 2 0 13.54-999 ?-999 ?-999 ? CL CL B 207 mASP~B 136 83.45 93.22 -11.24 84.18 93.90 -11.19 83.42 90.85 -10.44 83.05 89.69 -10.66 83.66 91.81 -11.61 85.10 91.57 -12.13 2 0 13.83-999 ?-999 ?-999 ? CL CL B 207 mTHR~B 137 83.64 91.32 -9.21 83.97 92.26 -9.19 82.07 90.81 -7.32 81.78 90.22 -6.28 83.40 90.51 -8.02 84.53 90.65 -7.00 2 0 11.04-999 ?-999 ?-999 ? CL CL B 207 mALA~B 138 81.26 91.69 -7.88 81.62 92.09 -8.73 79.15 90.83 -6.84 78.51 90.85 -5.79 79.96 92.04 -7.30 79.13 92.84 -8.30 2 0 12.34-999 ?-999 ?-999 ? CL CL B 207 mSER~B 139 79.18 89.76 -7.62 79.75 89.87 -8.44 79.05 87.74 -6.15 78.32 87.02 -5.48 78.43 88.56 -7.30 78.26 87.70 -8.54 2 0 14.27-999 ?-999 ?-999 ? CL CL B 207 mCYH~B 140 80.36 87.84 -5.91 80.86 88.34 -6.61 80.25 87.73 -3.46 80.01 86.98 -2.52 80.97 87.25 -4.69 82.42 87.70 -4.50 2 0 11.61-999 ?-999 ?-999 ? CL CL B 207 mPHE~B 141 79.96 89.02 -3.45 80.19 89.50 -4.30 77.90 89.34 -2.22 77.45 88.84 -1.20 79.37 89.67 -2.32 79.57 91.19 -2.42 3 0 10.80-999 ?-999 ?-999 ? CL CL B 207 mLYS~B 142 77.15 89.61 -3.29 77.66 89.91 -4.09 75.32 87.99 -3.01 74.45 87.69 -2.20 75.68 89.45 -3.22 74.95 90.03 -4.45 2 0 14.46-999 ?-999 ?-999 ? CL CL B 207 mASP~B 143 76.01 87.08 -3.70 76.71 87.47 -4.31 75.91 85.14 -2.14 75.17 84.26 -1.70 75.74 85.64 -3.57 76.65 84.81 -4.49 2 0 15.99-999 ?-999 ?-999 ? CL CL B 207 mASN~B 144 76.88 85.69 -1.42 77.37 86.44 -1.88 76.57 86.01 1.05 76.91 85.79 2.21 77.20 85.21 -0.08 78.71 85.11 0.08 2 0 14.36-999 ?-999 ?-999 ? CL CL B 207 mGLY~B 145 75.66 86.92 0.72 75.60 87.08 -0.26 75.03 89.11 1.90 74.34 89.74 2.69 74.82 87.61 1.72-999.99-999.99-999.99 1 0 15.26-999 ?-999 ?-999 ? CL CL B 207 mALA~B 146 75.96 89.69 1.16 76.44 89.08 0.54 75.03 91.94 0.92 74.33 91.64 -0.03 76.25 91.12 1.28 77.43 91.51 0.38 2 0 12.86-999 ?-999 ?-999 ? CL CL B 207 mLEU~B 147 74.77 92.97 1.71 75.47 93.14 2.40 73.87 94.99 0.72 73.21 95.21 -0.29 73.57 93.78 1.58 73.09 94.24 2.96 3 0 15.33-999 ?-999 ?-999 ? CL CL B 207 mTHR^B 148 74.86 95.78 1.12 75.33 95.47 1.94 76.70 97.08 0.10 77.52 96.51 0.82 75.21 97.01 0.39 74.81 98.29 1.15 2 0 14.15-999 ?-999 ?-999 ? CL CL B 207 mLEU^B 149 77.04 97.79 -0.97 76.26 98.15 -1.49 78.57 99.46 -1.86 77.85 99.90 -2.75 78.42 98.03 -1.35 78.86 97.05 -2.42 3 0 11.69-999 ?-999 ?-999 ? CL CL B 207 mARG^B 150 79.52 100.17 -1.26 79.97 99.69 -0.50 81.36 101.62 -1.78 82.09 100.96 -1.07 79.86 101.51 -1.67 79.29 102.52 -0.67 2 0 12.40-999 ?-999 ?-999 ? CL CL B 207 mPHE^B 151 81.82 102.45 -2.70 81.12 103.05 -3.09 83.60 103.86 -3.59 82.85 104.50 -4.33 83.20 102.48 -3.11 83.40 101.49 -4.26 3 0 11.46-999 ?-999 ?-999 ? CL CL B 207 mGLY^B 152 84.80 104.29 -3.20 85.31 103.67 -2.60 86.70 105.93 -3.16 87.51 105.05 -2.83 85.31 105.58 -3.66-999.99-999.99-999.99 1 0 13.50-999 ?-999 ?-999 ? CL CL B 207 mASN^B 153 86.97 107.24 -3.13 86.24 107.82 -3.48 88.05 108.73 -1.48 87.11 109.53 -1.49 88.25 107.74 -2.61 89.08 108.40 -3.71 2 0 14.76-999 ?-999 ?-999 ? CL CL B 207 mLEU~B 154 88.95 108.67 -0.50 89.61 107.92 -0.57 89.37 110.96 -0.05 90.41 111.02 -0.70 88.95 109.64 0.59 89.89 109.21 1.71 3 0 16.18-999 ?-999 ?-999 ? CL CL B 207 mLEU~B 155 88.53 111.98 0.11 87.70 111.73 0.60 89.59 114.18 0.61 90.26 115.14 0.20 88.81 113.34 -0.39 87.52 114.11 -0.69 3 0 19.93-999 ?-999 ?-999 ? CL CL B 207 mTHR~B 156 89.49 113.83 1.90 88.90 113.04 2.09 91.02 113.69 3.89 90.79 112.46 3.98 90.20 114.59 2.95 89.25 115.42 3.83 2 0 21.25-999 ?-999 ?-999 ? CL CL B 207 mGLY~B 157 91.95 114.33 4.62 92.11 115.27 4.33 94.02 113.17 5.37 94.50 113.32 4.24 92.65 113.69 5.74-999.99-999.99-999.99 1 0 21.09-999 ?-999 ?-999 ? CL CL B 207 mSER~B 158 94.66 112.52 6.34 94.14 112.42 7.19 96.06 110.77 5.24 97.14 110.35 4.91 95.99 112.01 6.14 96.57 111.72 7.49 2 0 20.49-999 ?-999 ?-999 ? CL CL B 207 mASN~B 159 94.92 110.18 4.86 94.11 110.50 5.36 94.22 109.65 2.50 93.67 108.86 1.72 94.89 109.17 3.81 94.22 107.93 4.36 2 0 17.03-999 ?-999 ?-999 ? CL CL B 207 mVAL~B 160 94.27 110.97 2.27 94.75 111.52 2.95 94.12 110.73 -0.13 95.32 110.46 -0.25 93.64 111.50 1.08 93.88 113.03 0.89 3 0 18.66-999 ?-999 ?-999 ? CL CL B 207 mGLY~B 161 93.19 110.35 -1.00 92.26 110.62 -0.74 93.37 108.10 -2.07 93.20 107.42 -3.05 93.53 109.61 -2.21-999.99-999.99-999.99 1 0 17.12-999 ?-999 ?-999 ? CL CL B 207 mASN~B 162 93.44 107.56 -0.86 93.65 108.20 -0.12 91.86 105.77 -1.21 90.92 106.54 -1.05 93.22 106.13 -0.69 93.32 105.69 0.78 2 0 13.50-999 ?-999 ?-999 ? CL CL B 207 mTYR^B 163 91.76 104.60 -1.81 92.62 104.13 -1.98 89.84 103.52 -0.90 90.55 103.04 -0.02 90.47 104.08 -2.18 90.63 102.99 -3.22 3 0 11.22-999 ?-999 ?-999 ? CL CL B 207 mLEU^B 164 88.52 103.57 -0.81 88.06 104.00 -1.59 86.63 102.18 -0.13 85.92 102.55 -1.07 87.81 103.03 0.34 87.34 104.17 1.23 3 0 9.65-999 ?-999 ?-999 ? CL CL B 207 mLEU^B 165 86.42 101.04 0.53 87.11 100.85 1.23 84.51 99.96 1.51 85.12 99.69 2.57 85.29 100.17 0.23 85.75 98.83 -0.36 3 0 7.66-999 ?-999 ?-999 ? CL CL B 207 mGLY^B 166 83.19 100.11 1.42 82.87 100.43 0.53 81.24 98.81 2.14 80.55 99.00 1.13 82.30 99.82 2.55-999.99-999.99-999.99 1 0 9.28-999 ?-999 ?-999 ? CL CL B 207 mVAL^B 167 81.13 97.71 2.90 81.72 97.70 3.71 79.40 96.23 3.75 79.96 95.97 4.80 80.21 96.63 2.54 80.94 95.37 2.01 3 0 9.35-999 ?-999 ?-999 ? CL CL B 207 mGLY^B 168 78.09 96.19 3.59 77.79 96.42 2.66 76.75 94.39 4.64 76.54 93.82 3.57 77.16 95.86 4.69-999.99-999.99-999.99 1 0 12.50-999 ?-999 ?-999 ? CL CL B 207 mTYR^B 169 76.63 93.78 5.82 76.76 94.39 6.60 75.31 92.17 7.03 75.21 92.99 7.95 76.34 92.36 5.94 77.60 91.61 6.32 3 0 13.50-999 ?-999 ?-999 ? CL CL B 207 mPRO~B 170 74.50 91.09 6.95 74.58 90.58 6.09 74.24 89.91 9.16 73.67 89.83 10.24 73.59 90.72 8.02 72.55 89.86 7.30 3 0 17.02-999 ?-999 ?-999 ? CL CL B 207 mSER~B 171 75.40 89.32 8.92 75.79 89.51 8.02 77.52 88.30 9.61 77.99 88.68 8.54 76.04 88.46 9.91 75.38 87.09 9.87 2 0 16.37-999 ?-999 ?-999 ? CL CL B 207 mMETB 172 78.25 87.73 10.55 77.75 87.50 11.39 79.86 86.21 9.49 80.86 86.10 8.78 79.65 87.48 10.33 80.40 87.46 11.66 2 0 14.37-999 ?-999 ?-999 ? CL CL B 207 mGLU~B 173 78.92 85.28 9.55 78.21 85.43 10.24 79.00 84.65 7.19 79.77 84.14 6.38 78.94 84.15 8.64 77.72 83.26 8.85 2 0 15.58-999 ?-999 ?-999 ? CL CL B 207 mALA~B 174 78.18 85.66 6.88 77.63 86.00 7.63 79.48 86.80 5.09 79.91 86.69 3.93 78.14 86.18 5.51 77.01 87.19 5.37 2 0 13.72-999 ?-999 ?-999 ? CL CL B 207 mILE~B 175 80.15 87.42 6.07 79.65 87.50 6.93 82.44 86.77 5.55 83.09 86.79 4.53 81.50 87.92 5.88 81.97 88.72 7.14 3 0 10.41-999 ?-999 ?-999 ? CL CL B 207 mGLU~B 176 82.48 85.75 6.41 81.88 85.86 7.20 83.11 83.96 4.80 84.08 83.64 4.10 83.33 84.59 6.18 83.09 83.53 7.24 2 0 11.64-999 ?-999 ?-999 ? CL CL B 207 mLYS~B 177 81.86 83.75 4.43 81.17 84.06 5.08 81.93 84.00 1.99 82.40 83.50 0.96 81.55 83.10 3.16 80.07 82.68 3.08 2 0 12.87-999 ?-999 ?-999 ? CL CL B 207 mTHR~B 178 81.74 85.31 2.14 81.29 85.57 3.00 83.67 86.19 0.92 84.15 86.05 -0.20 82.16 86.27 1.12 81.75 87.71 1.50 2 0 9.85-999 ?-999 ?-999 ? CL CL B 207 mTYR~B 179 84.43 86.24 2.00 83.91 86.27 2.86 86.49 84.91 1.47 87.56 84.88 0.87 85.89 86.26 1.91 86.50 86.81 3.22 3 0 -7.85-999 ?-999 ?-999 ? CL CL B 207s mASP~B 180 85.80 83.81 1.75 85.01 83.94 2.35 86.22 82.58 -0.34 87.19 82.17 -0.96 86.19 82.51 1.19 85.25 81.39 1.63 2 0 11.28-999 ?-999 ?-999 ? CL CL B 207 mGLU~B 181 85.15 83.10 -0.93 84.44 83.42 -0.31 85.96 84.24 -2.96 86.68 84.02 -3.94 85.05 83.16 -2.39 83.61 83.40 -2.83 2 0 11.53-999 ?-999 ?-999 ? CL CL B 207 mLEU~B 182 85.94 85.40 -2.32 85.40 85.39 -1.47 88.13 86.38 -2.99 88.69 86.77 -4.00 86.63 86.59 -2.80 86.39 87.74 -1.81 3 0 8.21-999 ?-999 ?-999 ? CL CL B 207 mLEU~B 183 88.77 85.76 -2.01 88.17 85.45 -1.27 90.68 84.52 -3.08 91.85 84.50 -3.47 90.22 85.55 -2.03 90.72 85.17 -0.63 3 0 8.61-999 ?-999 ?-999 ? CL CL B 207 mALA~B 184 89.75 83.68 -3.55 88.86 83.75 -3.10 89.33 83.14 -5.91 88.78 82.28 -6.60 90.05 82.75 -4.63 89.66 81.35 -4.22 2 0 12.21-999 ?-999 ?-999 ? CL CL B 207 mHIS~B 185 89.32 84.43 -6.22 89.79 85.01 -5.56 89.73 85.70 -8.23 90.51 86.45 -7.68 88.69 84.95 -7.43 87.54 85.86 -7.05 3 0 12.05-999 ?-999 ?-999 ? CL CL B 207 mSER~B 186 89.74 85.49 -9.54 88.96 84.95 -9.88 90.92 87.53 -10.28 92.02 88.05 -10.09 90.81 86.01 -10.38 90.63 85.55 -11.83 2 0 13.81-999 ?-999 ?-999 ? CL CL B 207 mSER~B 187 89.79 88.22 -10.42 88.99 87.65 -10.58 90.30 90.21 -8.98 90.92 91.28 -8.93 89.74 89.69 -10.32 88.32 90.21 -10.55 2 0 12.05-999 ?-999 ?-999 ? CL CL B 207 mTYR~B 188 90.11 89.46 -7.91 89.52 88.66 -8.04 92.26 89.72 -6.70 92.99 90.63 -6.29 90.73 89.84 -6.63 90.19 89.00 -5.46 3 0 8.73-999 ?-999 ?-999 ? CL CL B 207 mLYS~B 189 92.74 88.59 -7.20 92.05 87.93 -7.49 94.83 89.39 -8.29 95.96 89.82 -8.08 94.19 88.39 -7.32 94.51 86.93 -7.66 2 0 11.16-999 ?-999 ?-999 ? CL CL B 207 mGLU~B 190 94.08 89.81 -9.31 93.22 89.31 -9.43 94.58 92.23 -9.40 95.56 92.96 -9.52 94.50 90.91 -10.18 93.54 91.08 -11.36 2 0 12.84-999 ?-999 ?-999 ? CL CL B 207 mLEU~B 191 93.55 92.54 -8.61 92.80 91.87 -8.63 94.79 93.87 -6.96 95.35 94.95 -6.80 93.53 93.76 -7.79 92.35 93.77 -6.84 3 0 10.03-999 ?-999 ?-999 ? CL CL B 207 mMETB 192 95.23 92.73 -6.44 94.70 91.92 -6.69 97.71 93.00 -6.30 98.75 93.10 -5.65 96.41 92.70 -5.57 96.59 91.34 -4.88 2 0 10.08-999 ?-999 ?-999 ? CL CL B 207 mTHR~B 193 97.69 93.11 -7.62 96.80 92.95 -8.04 99.12 94.95 -8.46 100.23 95.38 -8.77 98.90 93.45 -8.37 98.86 92.91 -9.82 2 0 13.77-999 ?-999 ?-999 ? CL CL B 207 mPHE~B 194 98.07 95.74 -8.23 97.24 95.25 -7.98 97.52 98.02 -7.20 97.47 99.26 -7.26 98.15 97.21 -8.36 97.54 97.66 -9.69 3 0 13.75-999 ?-999 ?-999 ? CL CL B 207 mALA~B 195 97.04 97.33 -6.17 97.13 96.34 -6.25 96.92 97.33 -3.76 96.94 96.10 -3.69 96.44 98.00 -5.02 94.92 97.94 -5.09 2 0 10.72-999 ?-999 ?-999 ? CL CL B 207 mLYS^B 196 97.31 98.13 -2.78 97.26 99.11 -2.98 96.77 97.95 -0.43 96.56 99.11 -0.12 97.77 97.61 -1.51 99.12 98.23 -1.16 2 0 10.14-999 ?-999 ?-999 ? CL CL B 207 mVAL^B 197 96.13 96.93 0.12 96.32 96.03 -0.28 96.08 97.54 2.39 97.06 96.86 2.66 95.22 97.15 1.22 94.45 95.89 1.59 3 0 7.33-999 ?-999 ?-999 ? CL CL B 207 mASN^B 198 95.74 98.65 3.04 94.94 99.11 2.66 95.60 99.19 5.48 96.07 99.63 6.53 96.46 99.12 4.22 97.10 100.50 3.94 2 0 9.96-999 ?-999 ?-999 ? CL CL B 207 mMETB 199 94.34 98.76 5.37 94.11 98.45 4.45 92.14 97.95 6.18 91.60 98.07 5.09 93.40 98.76 6.50 92.97 100.20 6.84 2 0 8.81-999 ?-999 ?-999 ? CL CL B 207 mARG^B 200 91.67 97.16 7.14 92.28 97.09 7.93 89.81 96.28 8.42 90.50 95.78 9.32 90.38 96.46 7.03 90.55 95.07 6.38 2 0 -6.82-999 ?-999 ?-999 ? CL CL B 207s mASN^B 201 88.55 96.65 8.60 88.08 96.93 7.77 86.46 96.37 9.92 85.78 96.64 8.91 87.94 96.66 9.95 88.18 97.99 10.64 2 0 9.46-999 ?-999 ?-999 ? CL CL B 207 mILE^B 202 85.95 95.79 11.01 86.62 95.61 11.73 83.94 96.42 12.11 84.50 96.64 13.22 84.56 95.43 11.14 84.36 94.01 11.69 3 0 11.12-999 ?-999 ?-999 ? CL CL B 207 mILE^B 203 82.80 97.00 11.71 82.58 96.82 10.75 80.65 97.06 12.91 79.99 96.54 12.02 81.94 97.82 12.57 81.45 99.09 11.87 3 0 14.06-999 ?-999 ?-999 ? CL CL A 207 mLYS^B 204 80.27 97.07 14.19 80.94 97.48 14.81 77.99 97.63 14.72 78.15 98.53 15.54 78.99 96.52 14.64 79.10 95.89 16.04 2 0 13.47-999 ?-999 ?-999 ? CL CL A 207 mILE^B 205 76.93 97.57 13.92 76.90 96.79 13.29 75.24 98.50 15.38 74.79 97.43 15.79 75.90 98.59 14.01 74.78 98.52 12.90 3 0 16.72-999 ?-999 ?-999 ? CL CL A 207 mLEU~B 206 75.19 99.64 16.08 75.69 100.39 15.63 73.11 100.37 17.12 72.91 101.17 16.18 74.50 99.80 17.37 75.25 100.78 18.27 3 0 16.60-999 ?-999 ?-999 ? CL CL A 207 mILE~C 4 137.24 120.53 15.39 138.21 120.76 15.28 135.28 120.55 16.96 135.94 120.28 17.98 135.79 120.19 15.55 135.52 118.71 15.15 3 0 17.89-999 ?-999 ?-999 ? CL CL E 207 mASN^C 5 134.12 121.21 16.99 133.75 121.38 16.08 132.15 120.87 18.39 131.78 120.07 17.54 133.45 121.66 18.22 133.09 123.17 18.13 2 0 18.62-999 ?-999 ?-999 ? CL CL E 207 mTYR^C 6 131.45 121.13 19.50 131.86 121.82 20.09 129.12 121.38 20.27 129.37 122.39 20.93 130.21 120.44 19.81 130.47 119.40 20.88 3 0 17.12-999 ?-999 ?-999 ? CL CL E 207 mVAL^C 7 127.89 121.01 19.92 127.85 120.18 19.37 125.73 120.80 20.96 125.42 119.74 20.41 126.72 121.76 20.31 126.04 122.43 19.09 3 0 18.31-999 ?-999 ?-999 ? CL CL C 207 mILE^C 8 125.25 121.17 22.15 125.63 122.02 22.50 122.93 121.14 22.72 122.87 122.33 22.99 124.24 120.38 22.85 124.61 120.20 24.36 3 0 18.44-999 ?-999 ?-999 ? CL CL E 207 mLEU^C 9 121.87 120.46 22.30 122.06 119.50 22.07 119.56 120.33 23.04 119.42 119.11 22.92 120.56 121.08 22.18 120.08 121.08 20.74 3 0 18.29-999 ?-999 ?-999 ? CL CL C 207 mTHR^C 10 118.87 121.05 23.92 119.08 122.03 23.89 116.59 121.19 24.63 116.60 122.42 24.51 117.90 120.47 24.83 118.35 120.68 26.28 2 0 20.83-999 ?-999 ?-999 ? CL CL C 207 mVAL^C 11 115.49 120.43 24.58 115.69 119.46 24.71 113.16 120.48 25.45 113.02 119.29 25.69 114.14 120.95 24.35 113.58 120.49 22.98 3 0 19.73-999 ?-999 ?-999 ? CL CL D 208 mALA^C 12 112.46 121.42 26.07 112.62 122.34 25.71 110.21 121.77 26.93 110.13 122.89 26.42 111.56 121.12 27.18 112.14 121.64 28.48 2 0 19.09-999 ?-999 ?-999 ? CL CL D 208 mSER^C 13 109.13 121.08 27.28 109.28 120.12 27.53 107.63 122.35 28.68 107.96 121.74 29.70 107.83 121.75 27.29 106.69 120.82 26.86 2 0 16.68-999 ?-999 ?-999 ? CL CL D 208 mVAL^C 14 107.15 123.58 28.70 106.85 123.92 27.81 105.71 124.98 29.95 105.15 125.33 28.91 107.08 124.36 29.92 108.12 125.51 29.96 3 0 16.59-999 ?-999 ?-999 ? CL CL D 208 mASP~C 15 105.16 125.11 31.13 105.67 124.71 31.89 104.10 127.29 30.93 105.20 127.83 31.12 103.89 125.81 31.27 103.30 125.58 32.67 2 0 15.88-999 ?-999 ?-999 ? CL CL D 208 mPHE~C 16 103.06 127.91 30.39 102.25 127.33 30.29 103.25 130.25 31.19 103.90 131.30 31.13 103.11 129.32 29.97 101.87 129.68 29.15 3 0 13.31-999 ?-999 ?-999 ? CL CL D 208 mSER~C 17 102.63 129.86 32.30 102.11 129.01 32.19 104.06 130.45 34.27 104.38 131.21 35.18 102.71 130.59 33.56 101.60 130.12 34.50 2 0 16.44-999 ?-999 ?-999 ? CL CL D 208 mTYR~C 18 104.85 129.45 33.88 104.48 128.89 33.14 107.27 129.90 33.69 108.42 129.95 34.12 106.15 129.22 34.50 106.36 127.72 34.64 3 0 18.46-999 ?-999 ?-999 ? CL CL D 208 mARG~C 19 106.91 130.49 32.55 105.92 130.53 32.43 108.89 132.03 32.08 110.00 132.06 31.59 107.87 131.01 31.57 107.13 131.62 30.38 2 0 16.32-999 ?-999 ?-999 ? CL CL D 208 mGLU~C 20 108.50 132.88 33.03 107.55 132.75 33.33 110.33 133.35 34.66 111.51 133.72 34.73 109.41 133.90 33.57 108.65 135.12 34.12 2 0 18.80-999 ?-999 ?-999 ? CL CL D 208 mTHR~C 21 109.78 132.49 35.52 108.79 132.41 35.42 111.65 130.95 35.80 112.80 130.88 36.24 110.57 131.76 36.51 109.66 130.79 37.34 2 0 21.89-999 ?-999 ?-999 ? CL CL D 208 mMETC 22 111.25 130.36 34.68 110.28 130.48 34.48 113.29 130.51 33.31 114.48 130.18 33.44 112.17 129.61 33.83 111.38 128.99 32.67 2 0 20.73-999 ?-999 ?-999 ? CL CL D 208 mALA~C 23 112.93 131.64 32.72 111.94 131.78 32.67 114.86 133.07 33.29 116.03 133.38 33.02 113.90 132.60 32.19 113.18 133.79 31.55 2 0 20.41-999 ?-999 ?-999 ? CL CL D 208 mARG~C 24 114.36 133.11 34.52 113.41 132.83 34.59 116.15 132.48 36.09 117.32 132.78 36.34 115.15 133.53 35.67 114.25 133.82 36.87 2 0 23.84-999 ?-999 ?-999 ? CL CL D 208 mLEU~C 25 115.68 131.24 36.20 114.73 131.12 35.92 117.60 129.78 35.69 118.69 129.33 36.08 116.53 130.17 36.71 115.68 128.96 37.13 3 0 25.62-999 ?-999 ?-999 ? CL CL D 208 mMETC 26 117.31 129.99 34.40 116.40 130.38 34.26 119.40 130.65 33.19 120.51 130.26 32.80 118.25 129.65 33.31 117.53 129.55 31.96 2 0 24.52-999 ?-999 ?-999 ? CL CL D 208 mSER~C 27 119.15 131.93 33.50 118.20 132.12 33.72 121.22 132.66 34.64 122.43 132.79 34.45 120.22 132.93 33.50 119.66 134.35 33.56 2 0 26.00-999 ?-999 ?-999 ? CL CL D 208 mSER~C 28 120.72 132.24 35.80 119.73 132.26 35.86 122.50 130.63 36.43 123.64 130.49 36.88 121.62 131.81 36.87 120.82 131.38 38.08 2 0 29.23-999 ?-999 ?-999 ? CL CL D 208 mTYR~C 29 121.94 129.80 35.57 121.06 130.13 35.22 123.59 128.67 34.04 124.59 127.95 34.04 122.54 128.54 35.16 121.40 127.61 34.75 3 0 29.12-999 ?-999 ?-999 ? CL CL D 208 mSER~C 30 123.35 129.57 33.08 122.47 130.04 33.19 125.65 130.34 32.49 126.69 129.82 32.08 124.30 129.82 31.98 123.72 130.82 30.96 2 0 28.05-999 ?-999 ?-999 ? CL CL C 207 mLYS~C 31 125.60 131.36 33.37 124.67 131.68 33.54 127.65 130.85 34.63 128.87 130.80 34.45 126.80 131.94 34.00 126.40 132.97 35.07 2 0 30.93-999 ?-999 ?-999 ? CL CL C 207 mASP~C 32 126.96 129.95 35.33 125.98 130.15 35.37 128.34 127.89 35.01 129.48 127.49 35.31 127.56 128.80 35.97 126.44 128.02 36.67 2 0 32.00-999 ?-999 ?-999 ? CL CL E 207 mLEU~C 33 127.73 127.57 33.87 126.81 127.94 33.79 129.51 127.47 32.10 130.56 126.86 31.82 128.37 126.74 32.83 127.32 126.30 31.79 3 0 28.44-999 ?-999 ?-999 ? CL CL E 207 mILE~C 34 129.31 128.75 31.78 128.41 129.09 32.03 131.59 129.70 31.99 132.71 129.49 31.51 130.33 129.58 31.11 129.78 131.01 30.77 3 0 29.15-999 ?-999 ?-999 ? CL CL C 207 mASP~C 35 131.39 129.99 33.27 130.42 130.04 33.52 133.12 128.94 34.78 134.32 128.95 35.09 132.48 130.22 34.21 132.00 131.13 35.35 2 0 32.31-999 ?-999 ?-999 ? CL CL E 207 mASN~C 36 132.34 127.86 34.92 131.42 127.98 34.56 132.97 125.39 34.65 133.85 124.54 34.87 132.83 126.62 35.56 131.95 126.29 36.78 2 0 30.35-999 ?-999 ?-999 ? CL CL E 207 mALA~C 37 132.12 125.28 33.63 131.46 126.02 33.55 133.09 124.41 31.51 133.43 123.49 30.78 132.18 124.14 32.72 130.78 123.77 32.26 2 0 26.57-999 ?-999 ?-999 ? CL CL E 207 mGLY~C 38 133.49 125.66 31.31 133.25 126.30 32.04 133.34 126.14 28.85 133.82 126.03 27.72 134.23 126.04 30.09-999.99-999.99-999.99 1 0 26.91-999 ?-999 ?-999 ? CL CL E 207 mALA~C 39 132.04 126.33 29.06 131.78 126.33 30.02 131.45 127.79 27.21 131.67 128.83 27.82 131.09 126.53 27.97 129.67 126.63 28.50 2 0 25.79-999 ?-999 ?-999 ? CL CL E 207 mLYS~C 40 131.51 127.68 25.89 131.26 126.77 25.54 130.66 129.56 24.58 130.57 130.00 23.44 131.89 128.79 25.03 132.67 128.26 23.81 2 0 24.58-999 ?-999 ?-999 ? CL CL C 207 mGLY~C 41 129.70 129.74 25.48 129.92 129.39 26.39 127.22 129.49 25.32 127.33 128.26 25.28 128.43 130.39 25.15-999.99-999.99-999.99 1 0 23.14-999 ?-999 ?-999 ? CL CL C 207 mTHR^C 42 126.07 130.12 25.54 126.17 131.10 25.71 123.71 130.33 24.86 123.89 131.54 24.72 124.77 129.45 25.54 124.28 129.07 26.98 2 0 21.96-999 ?-999 ?-999 ? CL CL C 207 mARG^C 43 122.62 129.71 24.42 122.67 128.71 24.48 120.25 129.80 24.52 120.21 128.60 24.75 121.46 130.42 23.89 121.32 130.26 22.38 2 0 19.75-999 ?-999 ?-999 ? CL CL C 207 mPHE^C 44 119.24 130.62 24.77 119.41 131.57 24.52 116.87 130.86 24.68 116.89 132.09 24.55 118.01 130.15 25.37 118.01 130.48 26.86 3 0 20.05-999 ?-999 ?-999 ? CL CL D 208 mGLY^C 45 115.89 130.09 24.24 115.98 129.11 24.44 113.52 129.83 23.49 113.48 128.77 24.10 114.78 130.67 23.51-999.99-999.99-999.99 1 0 16.31-999 ?-999 ?-999 ? CL CL D 208 mSER^C 46 112.51 130.34 22.79 112.67 131.28 22.48 111.25 129.18 21.01 111.61 129.99 20.15 111.29 129.58 22.50 110.07 130.43 22.80 2 0 12.94-999 ?-999 ?-999 ? CL CL D 208 mILE^C 47 110.84 127.94 20.73 110.65 127.36 21.52 109.44 128.14 18.83 108.36 127.98 19.41 110.71 127.50 19.35 110.65 125.98 19.23 3 0 12.24-999 ?-999 ?-999 ? CL CL D 208 mGLY~C 48 109.59 128.91 17.75 110.50 128.90 17.35 107.62 128.93 16.25 106.49 129.30 16.02 108.49 129.69 17.23-999.99-999.99-999.99 1 0 9.23-999 ?-999 ?-999 ? CL CL D 208 mTHR~C 49 108.14 127.87 15.66 109.04 127.60 16.01 107.46 125.67 14.71 108.12 125.10 15.59 107.44 127.19 14.57 108.04 127.56 13.20 2 0 9.85-999 ?-999 ?-999 ? CL CL D 208 mGLY~C 50 106.72 125.01 13.83 106.21 125.59 13.20 105.76 122.99 14.86 105.04 123.72 15.55 106.68 123.57 13.80-999.99-999.99-999.99 1 0 11.96-999 ?-999 ?-999 ? CL CL D 208 mASP~C 51 105.82 121.67 14.98 106.51 121.24 14.40 105.39 121.06 17.33 104.64 120.72 18.26 104.93 120.93 15.89 104.81 119.43 15.49 2 0 12.85-999 ?-999 ?-999 ? CL CL D 208 mHIS~C 52 106.62 121.56 17.53 107.16 121.68 16.69 106.99 123.38 19.18 107.60 123.86 20.13 107.12 121.88 18.87 108.58 121.50 19.00 3 0 13.06-999 ?-999 ?-999 ? CL CL D 208 mALA~C 53 106.21 124.11 18.39 105.81 123.61 17.63 105.59 125.72 20.13 104.71 125.01 20.64 105.99 125.54 18.66 104.92 126.09 17.75 2 0 9.48-999 ?-999 ?-999 ? CL CL D 208 mGLY~C 54 106.29 126.63 20.83 107.01 127.08 20.32 106.90 126.21 23.22 107.00 126.63 24.36 106.00 126.91 22.23-999.99-999.99-999.99 1 0 9.67-999 ?-999 ?-999 ? CL CL D 208 mSER~C 55 107.55 125.13 22.80 107.27 124.78 21.90 109.73 125.52 23.74 109.84 126.47 22.97 108.60 124.52 23.61 109.11 123.23 22.99 2 0 13.44-999 ?-999 ?-999 ? CL CL D 208 mLEU^C 56 110.56 125.32 24.76 110.30 124.55 25.35 112.94 125.28 24.65 112.92 124.06 24.80 111.74 126.13 24.98 111.78 126.65 26.44 3 0 15.54-999 ?-999 ?-999 ? CL CL D 208 mILE^C 57 113.99 125.93 24.17 113.88 126.92 24.16 116.42 125.91 24.36 116.47 127.13 24.55 115.19 125.26 23.69 115.29 125.32 22.14 3 0 18.19-999 ?-999 ?-999 ? CL CL D 208 mPHE^C 58 117.39 125.08 24.74 117.18 124.12 24.58 119.77 125.01 24.51 119.79 123.82 24.21 118.64 125.55 25.33 118.74 125.06 26.77 3 0 20.50-999 ?-999 ?-999 ? CL CL C 207 mILE^C 59 120.70 125.87 24.11 120.57 126.80 24.45 123.11 125.74 23.95 123.27 126.81 24.48 121.81 125.45 23.24 121.81 126.21 21.88 3 0 18.79-999 ?-999 ?-999 ? CL CL C 207 mGLN^C 60 124.02 124.77 23.99 123.73 123.93 23.53 126.42 124.65 23.67 126.29 123.76 22.83 125.31 124.93 24.67 125.45 123.98 25.85 2 0 21.14-999 ?-999 ?-999 ? CL CL C 207 mPHE^C 61 127.51 125.42 23.76 127.45 126.12 24.48 129.91 124.82 23.68 130.28 125.45 24.66 128.67 125.25 22.89 128.99 126.56 22.16 3 0 20.95-999 ?-999 ?-999 ? CL CL C 207 mTYR^C 62 130.54 123.74 23.23 130.12 123.31 22.43 132.79 122.93 22.81 132.46 122.53 21.69 131.75 123.24 23.87 131.45 121.99 24.70 3 0 21.19-999 ?-999 ?-999 ? CL CL E 207 mASP~C 63 134.05 123.15 23.15 134.16 123.54 24.07 135.46 121.34 22.25 135.96 120.80 21.26 135.16 122.84 22.25 136.41 123.67 22.64 2 0 21.08-999 ?-999 ?-999 ? CL CL E 207 mASP~C 64 135.11 120.68 23.35 134.70 121.26 24.05 134.22 118.65 24.40 133.57 119.36 25.17 135.32 119.25 23.51 136.70 118.98 24.10 2 0 18.43-999 ?-999 ?-999 ? CL CL E 207 mLEU~C 65 134.02 117.33 24.29 134.61 116.87 23.63 133.38 116.60 26.59 132.52 116.42 27.43 133.00 116.66 25.09 132.67 115.25 24.52 3 0 16.34-999 ?-999 ?-999 ? CL CL E 207 mTHR~C 66 134.67 116.77 26.92 135.29 116.81 26.13 134.48 118.13 28.98 134.12 118.08 30.15 135.09 116.89 28.32 136.63 116.83 28.45 2 0 19.11-999 ?-999 ?-999 ? CL CL E 207 mGLY~C 67 134.33 119.21 28.22 134.78 119.15 27.33 132.15 120.03 29.06 131.64 120.46 30.09 133.57 120.37 28.68-999.99-999.99-999.99 1 0 21.44-999 ?-999 ?-999 ? CL CL E 207 mTYR~C 68 131.49 119.23 28.23 131.99 118.93 27.42 130.11 117.99 29.78 129.25 118.18 30.64 130.14 118.86 28.51 129.53 118.20 27.26 3 0 19.62-999 ?-999 ?-999 ? CL CL E 207 mGLN~C 69 131.08 117.09 29.94 131.74 117.05 29.19 131.26 117.03 32.42 130.72 116.62 33.45 131.15 116.24 31.14 132.33 115.28 31.10 2 0 19.76-999 ?-999 ?-999 ? CL CL E 207 mLYS~C 70 131.98 118.15 32.37 132.45 118.29 31.49 130.72 119.74 33.75 130.27 119.86 34.89 132.07 119.07 33.49 133.16 120.13 33.26 2 0 23.48-999 ?-999 ?-999 ? CL CL E 207 mALA~C 71 130.06 120.16 32.67 130.55 120.03 31.81 127.75 119.77 33.43 126.96 120.20 34.27 128.73 120.74 32.76 128.24 121.15 31.39 2 0 23.82-999 ?-999 ?-999 ? CL CL E 207 mLEU~C 72 127.80 118.49 33.09 128.46 118.28 32.36 127.25 117.41 35.24 126.34 117.25 36.05 126.97 117.49 33.75 127.16 116.10 33.13 3 0 22.47-999 ?-999 ?-999 ? CL CL E 207 mGLU~C 73 128.51 117.54 35.62 129.17 117.66 34.89 128.47 118.80 37.76 128.19 118.77 38.96 128.85 117.50 37.03 130.28 116.99 37.20 2 0 25.10-999 ?-999 ?-999 ? CL CL E 207 mILE~C 74 128.36 119.91 37.03 128.72 119.81 36.09 126.24 121.08 37.77 125.72 121.69 38.71 127.77 121.16 37.56 128.15 122.42 36.71 3 0 27.69-999 ?-999 ?-999 ? CL CL E 207 mGLN~C 75 125.53 120.35 36.93 126.06 119.96 36.17 123.73 119.54 38.46 122.91 120.08 39.21 124.08 120.14 37.12 123.51 119.20 36.07 2 0 27.07-999 ?-999 ?-999 ? CL CL E 207 mSER~C 76 124.33 118.39 38.75 124.97 118.08 38.04 124.23 118.50 41.26 123.54 118.25 42.25 124.07 117.65 39.98 124.97 116.42 40.03 2 0 28.06-999 ?-999 ?-999 ? CL CL E 207 mLYS~C 77 125.12 119.48 41.24 125.61 119.57 40.37 124.54 121.68 42.34 124.49 122.42 43.33 125.33 120.36 42.40 126.83 120.61 42.61 2 0 31.33-999 ?-999 ?-999 ? CL CL E 207 mSER~C 78 123.90 121.99 41.20 123.94 121.27 40.50 121.83 123.34 41.67 120.97 122.49 41.43 123.23 123.28 41.02 123.13 123.67 39.54 2 0 32.16-999 ?-999 ?-999 ? CL CL E 207 mSER~C 79 121.63 124.38 42.48 122.44 124.95 42.61 119.36 125.07 42.06 118.25 124.58 42.04 120.35 124.65 43.11 120.45 125.76 44.16 2 0 33.81-999 ?-999 ?-999 ? CL CL D 208 mVAL~C 80 119.78 126.01 41.21 120.71 126.33 41.38 118.38 125.36 39.26 117.20 125.37 38.90 118.94 126.50 40.11 119.70 127.52 39.23 3 0 30.28-999 ?-999 ?-999 ? CL CL D 208 mPHE~C 81 119.23 124.38 38.93 120.17 124.51 39.24 117.79 122.36 38.95 116.81 121.84 38.40 118.76 123.22 38.16 119.91 122.32 37.71 3 0 29.60-999 ?-999 ?-999 ? CL CL D 208 mLYS~C 82 118.10 122.17 40.23 118.94 122.60 40.53 115.85 122.00 41.18 114.85 121.30 41.03 117.24 121.37 41.10 117.87 121.21 42.48 2 0 31.44-999 ?-999 ?-999 ? CL CL D 208 mGLU~C 83 115.79 123.33 41.36 116.69 123.77 41.44 113.66 123.84 40.17 112.47 123.59 40.28 114.51 124.06 41.44 114.73 125.56 41.67 2 0 29.38-999 ?-999 ?-999 ? CL CL D 208 mILE~C 84 114.27 123.95 38.99 115.24 124.19 39.05 112.89 122.38 37.68 111.73 122.24 37.30 113.55 123.74 37.72 114.48 123.71 36.49 3 0 26.03-999 ?-999 ?-999 ? CL CL D 208 mMETC 85 113.67 121.36 38.02 114.58 121.61 38.35 112.16 119.68 38.99 111.21 118.95 38.74 113.18 119.99 37.91 114.33 118.99 37.97 2 0 27.48-999 ?-999 ?-999 ? CL CL D 208 mASP~C 86 112.35 120.24 40.19 113.18 120.79 40.26 110.11 120.84 41.08 109.09 120.55 41.70 111.40 120.02 41.29 112.05 120.33 42.65 2 0 29.30-999 ?-999 ?-999 ? CL CL D 208 mSER~C 87 110.16 121.85 40.21 111.06 121.98 39.79 107.81 121.84 39.40 106.65 122.14 39.69 108.99 122.67 39.90 109.33 123.67 38.79 2 0 26.16-999 ?-999 ?-999 ? CL CL D 208 mGLY~C 88 108.13 120.81 38.63 109.11 120.60 38.60 106.54 120.85 36.72 105.55 120.42 36.12 107.12 120.06 37.89-999.99-999.99-999.99 1 0 25.02-999 ?-999 ?-999 ? CL CL D 208 mLYS~C 89 107.14 122.00 36.39 107.96 122.20 36.91 107.44 122.78 34.06 107.06 123.34 33.03 106.61 122.87 35.34 106.55 124.31 35.86 2 0 21.43-999 ?-999 ?-999 ? CL CL D 208 mALA^C 90 108.57 122.07 34.13 108.75 121.69 35.04 109.60 120.38 32.72 109.93 119.63 33.63 109.46 121.86 32.98 110.81 122.44 33.27 2 0 21.18-999 ?-999 ?-999 ? CL CL D 208 mASN^C 91 109.38 119.96 31.48 109.06 120.67 30.86 110.56 118.48 29.87 110.14 118.70 28.73 109.61 118.57 31.07 108.26 117.87 30.75 2 0 21.85-999 ?-999 ?-999 ? CL CL D 208 mILE^C 92 111.82 118.15 30.13 112.02 118.07 31.11 112.38 116.68 28.33 112.19 115.63 28.95 112.81 117.92 29.09 114.19 117.66 29.71 3 0 22.80-999 ?-999 ?-999 ? CL CL D 208 mTYR^C 93 112.18 116.81 27.02 112.35 117.73 26.66 112.68 115.35 25.00 112.45 114.38 24.26 111.76 115.67 26.19 110.30 115.83 25.72 3 0 22.48-999 ?-999 ?-999 ? CL CL D 208 mLEU^C 94 113.72 116.14 24.82 113.76 116.92 25.45 116.03 116.48 24.19 116.06 117.57 24.74 114.70 115.88 23.77 114.24 116.47 22.44 3 0 19.96-999 ?-999 ?-999 ? CL CL E 207 mARG^C 95 117.11 115.74 24.00 116.92 114.78 23.79 119.41 115.60 23.14 119.61 114.40 23.22 118.45 116.30 24.09 119.00 116.20 25.51 2 0 17.99-999 ?-999 ?-999 ? CL CL E 207 mASN^C 96 120.00 116.35 22.22 119.74 117.31 22.21 122.24 116.57 21.16 122.26 117.75 21.48 120.96 115.74 21.31 120.32 115.46 19.96 2 0 15.11-999 ?-999 ?-999 ? CL CL E 207 mILE^C 97 123.29 115.90 20.69 123.10 114.95 20.47 124.92 116.57 19.03 124.67 115.61 18.28 124.60 116.49 20.52 125.70 115.66 21.24 3 0 14.03-999 ?-999 ?-999 ? CL CL E 207 mSER^C 98 125.48 117.70 18.60 125.61 118.38 19.32 127.31 118.31 17.10 127.83 118.99 17.97 125.85 117.91 17.22 125.00 119.03 16.63 2 0 14.40-999 ?-999 ?-999 ? CL CL E 207 mTHR^C 99 127.97 117.90 16.02 127.48 117.26 15.44 129.19 119.79 15.17 128.15 120.14 14.64 129.32 118.39 15.73 130.04 117.53 14.67 2 0 14.58-999 ?-999 ?-999 ? CL CL E 207 mSER^C 100 130.25 120.59 15.30 131.00 120.19 15.83 131.56 122.02 13.91 132.64 122.08 14.50 130.28 121.92 14.70 130.20 123.01 15.77 2 0 16.31-999 ?-999 ?-999 ? CL CL C 207 mLEU~C 101 131.45 122.02 12.59 130.50 122.07 12.26 133.09 123.34 11.29 132.27 124.26 11.22 132.62 121.94 11.71 132.33 121.07 10.49 3 0 16.69-999 ?-999 ?-999 ? CL CL C 207 mPRO~C 102 134.40 123.50 11.05 134.97 122.71 11.27 134.25 125.22 9.19 134.17 124.44 8.23 134.94 124.76 10.50 136.42 124.42 10.23 3 0 17.88-999 ?-999 ?-999 ? CL CL C 207 mTHR~C 103 133.76 126.46 9.17 133.79 126.93 10.05 133.94 128.40 7.66 134.46 129.06 8.57 133.24 127.07 7.94 131.70 127.30 7.97 2 0 15.51-999 ?-999 ?-999 ? CL CL C 207 mLYS~C 104 133.94 128.78 6.38 133.51 128.12 5.76 133.46 131.14 6.02 132.94 131.61 5.01 134.52 130.04 5.93 135.09 129.90 4.51 2 0 16.90-999 ?-999 ?-999 ? CL CL C 207 mPHE~C 105 133.15 131.53 7.25 133.69 131.10 7.97 132.57 133.46 8.60 133.07 133.02 9.63 132.10 132.50 7.52 130.85 131.77 7.99 3 0 15.55-999 ?-999 ?-999 ? CL CL C 207 mGLU~C 106 132.37 134.76 8.40 131.90 134.99 7.55 131.84 135.87 10.56 130.78 136.49 10.42 132.82 135.74 9.38 133.08 137.08 8.70 2 0 18.06-999 ?-999 ?-999 ? CL CL C 207 mGLN~C 107 132.20 135.28 11.69 133.11 134.86 11.65 131.25 136.63 13.54 132.24 137.37 13.60 131.35 135.24 12.89 131.89 134.21 13.91 2 0 17.88-999 ?-999 ?-999 ? CL CL C 207 mSER~C 108 130.05 136.99 14.01 129.32 136.35 13.77 129.64 137.86 16.28 129.20 136.76 16.62 129.83 138.21 14.80 128.61 138.98 14.27 2 0 19.43-999 ?-999 ?-999 ? CL CL C 207 mTYR~C 109 129.97 138.81 17.16 130.33 139.64 16.73 128.45 139.13 19.09 128.07 138.92 20.24 129.83 138.64 18.61 130.96 139.38 19.36 3 0 21.87-999 ?-999 ?-999 ? CL CL C 207 mGLU~C 110 127.71 139.76 18.18 128.15 139.83 17.28 125.41 139.18 18.86 125.22 138.21 18.11 126.39 140.31 18.45 125.92 141.06 17.19 2 0 21.17-999 ?-999 ?-999 ? CL CL C 207 mHIS~C 111 124.82 139.28 20.06 125.12 140.07 20.60 122.63 138.39 19.55 122.06 139.46 19.34 123.83 138.32 20.51 123.41 138.61 21.96 3 0 20.52-999 ?-999 ?-999 ? CL CL C 207 mPRO~C 112 122.29 137.26 18.90 122.84 136.45 19.11 119.83 137.40 18.65 119.73 137.09 19.83 121.17 137.29 17.95 121.27 135.94 17.23 3 0 17.32-999 ?-999 ?-999 ? CL CL C 207 mLYS~C 113 118.82 137.88 17.94 119.09 138.22 17.04 116.72 136.64 17.93 115.83 136.15 18.62 117.46 137.89 18.44 116.73 139.19 18.06 2 0 17.81-999 ?-999 ?-999 ? CL CL C 207 mTYR^C 114 117.11 136.10 16.76 117.82 136.63 16.30 117.58 133.85 15.75 118.67 134.23 15.32 116.51 134.86 16.22 115.56 135.20 15.07 3 0 14.26-999 ?-999 ?-999 ? CL CL C 207 mILE^C 115 117.27 132.57 15.88 116.44 132.41 16.41 117.19 130.64 14.38 116.11 130.24 14.77 118.07 131.50 15.29 118.72 130.63 16.40 3 0 11.62-999 ?-999 ?-999 ? CL CL C 207 mVAL^C 116 117.64 130.40 13.16 118.45 130.93 12.92 117.80 128.14 12.28 119.01 128.15 12.03 116.98 129.45 12.26 116.85 130.01 10.80 3 0 8.08-999 ?-999 ?-999 ? CL CL C 207 mLEU^C 117 117.14 127.03 12.65 116.21 127.20 12.98 117.18 124.98 11.38 115.98 124.99 11.17 117.74 125.69 12.59 117.42 124.88 13.85 3 0 7.77-999 ?-999 ?-999 ? CL CL C 207 mTHR^C 118 118.06 124.39 10.57 119.01 124.50 10.86 118.37 122.31 9.45 119.54 122.23 9.81 117.67 123.65 9.37 118.07 124.42 8.09 2 0 -5.28-999 ?-999 ?-999 ? CL CL C 207s mARG^C 119 117.62 121.25 9.13 116.70 121.47 8.83 117.88 119.16 7.91 116.79 119.29 7.31 118.13 119.89 9.22 117.43 119.12 10.33 2 0 7.82-999 ?-999 ?-999 ? CL CL C 207 mALA^C 120 118.86 118.39 7.48 119.63 118.30 8.11 119.34 116.32 6.21 120.22 115.98 7.01 118.78 117.73 6.19 119.51 118.56 5.15 2 0 8.77-999 ?-999 ?-999 ? CL CL C 207 mGLU^C 121 118.84 115.51 5.28 118.10 115.91 4.75 120.22 114.22 3.86 119.83 114.81 2.85 119.34 114.17 5.08 118.20 113.19 4.84 2 0 12.27-999 ?-999 ?-999 ? CL CL C 207 mALA~C 122 121.41 113.62 3.96 121.58 113.24 4.87 123.32 112.38 3.10 123.56 112.05 4.25 122.36 113.53 2.84 123.14 114.83 2.71 2 0 13.70-999 ?-999 ?-999 ? CL CL C 207 mALA~C 123 123.85 111.75 2.05 123.49 112.05 1.17 126.10 111.29 2.97 126.43 112.47 2.82 124.88 110.72 2.23 125.29 110.14 0.89 2 0 15.82-999 ?-999 ?-999 ? CL CL E 207 mMETC 124 126.75 110.46 3.80 126.30 109.57 3.89 129.10 111.11 3.51 130.00 111.91 3.78 127.98 110.81 4.50 128.41 109.64 5.39 2 0 13.45-999 ?-999 ?-999 ? CL CL E 207 mSER~C 125 129.03 110.44 2.37 128.27 109.80 2.33 129.87 112.02 0.58 130.79 112.45 -0.12 129.99 110.65 1.27 129.88 109.52 0.23 2 0 16.28-999 ?-999 ?-999 ? CL CL E 207 mASP~C 126 128.74 112.70 0.77 128.05 112.22 1.31 128.96 115.13 1.24 128.69 116.30 1.01 128.55 114.05 0.24 127.08 114.27 -0.13 2 0 16.84-999 ?-999 ?-999 ? CL CL C 207 mLYS~C 127 129.63 114.75 2.33 129.83 113.77 2.37 130.76 116.92 2.81 130.47 118.05 3.18 130.02 115.71 3.38 130.88 115.04 4.46 2 0 16.10-999 ?-999 ?-999 ? CL CL C 207 mASP~C 128 131.70 116.68 1.89 131.76 115.72 1.63 131.82 118.68 0.39 131.97 119.90 0.46 132.56 117.75 1.34 133.74 117.14 0.56 2 0 17.24-999 ?-999 ?-999 ? CL CL C 207 mLYS~C 129 131.05 118.09 -0.52 131.12 117.09 -0.54 129.29 119.79 -0.58 129.10 120.96 -0.89 130.19 118.88 -1.41 129.31 117.97 -2.28 2 0 15.58-999 ?-999 ?-999 ? CL CL C 207 mPHE~C 130 128.75 119.24 0.50 128.99 118.28 0.63 128.62 121.21 1.94 128.15 122.33 1.81 127.88 119.98 1.39 127.42 119.07 2.53 3 0 12.23-999 ?-999 ?-999 ? CL CL C 207 mLEU~C 131 129.79 120.98 2.54 130.07 120.02 2.53 130.96 123.10 2.13 131.06 124.28 2.44 130.58 122.06 3.16 131.84 121.49 3.81 3 0 13.35-999 ?-999 ?-999 ? CL CL C 207 mASN~C 132 131.21 122.65 0.90 131.20 121.65 0.83 130.33 124.52 -0.47 130.54 125.72 -0.62 131.47 123.55 -0.22 131.65 122.75 -1.52 2 0 14.62-999 ?-999 ?-999 ? CL CL C 207 mCYH~C 133 129.12 123.97 -0.58 129.10 122.98 -0.48 127.79 125.82 0.27 127.56 127.00 0.00 127.95 124.80 -0.82 126.68 123.96 -0.88 2 0 11.52-999 ?-999 ?-999 ? CL CL C 207 mILE~C 134 127.91 125.36 1.51 128.10 124.37 1.57 128.79 127.36 2.65 128.47 128.50 2.96 127.78 126.21 2.68 127.88 125.38 3.97 3 0 9.96-999 ?-999 ?-999 ? CL CL C 207 mASN~C 135 130.01 127.07 2.24 130.18 126.11 2.04 130.83 129.00 0.84 131.21 130.18 0.84 131.00 128.14 2.10 132.40 127.54 2.19 2 0 13.36-999 ?-999 ?-999 ? CL CL C 207 mASP~C 136 130.26 128.44 -0.23 130.05 127.47 -0.12 128.82 130.19 -1.29 128.71 131.16 -2.05 129.99 129.22 -1.45 129.75 128.32 -2.67 2 0 13.80-999 ?-999 ?-999 ? CL CL C 207 mTHR~C 137 127.92 129.91 -0.35 128.09 129.05 0.14 127.00 131.57 1.25 126.06 132.21 1.73 126.81 130.81 -0.07 125.46 130.05 -0.06 2 0 10.98-999 ?-999 ?-999 ? CL CL C 207 mALA~C 138 128.21 131.53 1.83 128.87 130.95 1.35 128.13 133.76 2.95 127.63 134.34 3.91 128.51 132.28 3.07 129.98 132.13 3.43 2 0 12.14-999 ?-999 ?-999 ? CL CL C 207 mSER~C 139 128.36 134.35 1.78 128.74 133.73 1.09 126.59 136.09 1.51 126.19 137.17 1.92 128.09 135.77 1.54 128.73 136.24 0.23 2 0 14.14-999 ?-999 ?-999 ? CL CL C 207 mCYH~C 140 125.77 135.15 1.03 126.24 134.36 0.65 123.82 135.72 2.45 122.94 136.59 2.59 124.31 135.32 1.05 123.60 134.01 0.68 2 0 11.56-999 ?-999 ?-999 ? CL CL C 207 mPHE~C 141 124.39 135.06 3.45 125.10 134.42 3.16 124.64 136.55 5.40 123.93 137.44 5.89 124.02 135.25 4.85 124.45 134.02 5.67 3 0 10.70-999 ?-999 ?-999 ? CL CL C 207 mLYS~C 142 125.97 136.67 5.30 126.41 135.92 4.81 126.18 139.11 5.22 125.89 140.08 5.92 126.68 137.82 5.88 128.21 137.66 5.78 2 0 14.36-999 ?-999 ?-999 ? CL CL C 207 mASP~C 143 126.05 139.11 3.89 126.35 138.25 3.47 124.20 140.79 3.69 124.01 141.99 3.81 125.50 140.26 3.13 125.18 139.89 1.66 2 0 15.85-999 ?-999 ?-999 ? CL CL C 207 mASN~C 144 123.29 139.87 3.98 123.61 138.92 3.93 121.68 140.29 5.84 120.54 140.40 6.28 121.93 140.24 4.34 120.93 139.34 3.61 2 0 14.41-999 ?-999 ?-999 ? CL CL C 207 mGLY~C 145 122.74 140.22 6.63 123.58 139.94 6.17 122.90 139.38 9.02 122.90 139.61 10.23 122.65 140.52 8.05-999.99-999.99-999.99 1 0 15.21-999 ?-999 ?-999 ? CL CL C 207 mALA~C 146 123.11 138.16 8.52 123.09 138.12 7.52 124.54 137.29 10.30 125.52 137.88 9.87 123.36 137.01 9.39 123.63 135.77 8.58 2 0 12.71-999 ?-999 ?-999 ? CL CL C 207 mLEU~C 147 124.42 136.88 11.56 123.59 136.37 11.75 126.37 135.94 12.71 127.58 136.07 12.60 125.44 137.15 12.55 124.80 137.55 13.89 3 0 15.16-999 ?-999 ?-999 ? CL CL C 207 mTHR^C 148 125.80 134.77 12.95 124.80 134.79 12.96 126.11 132.43 12.31 124.94 132.38 11.94 126.60 133.57 13.18 126.55 133.17 14.66 2 0 13.93-999 ?-999 ?-999 ? CL CL C 207 mLEU^C 149 127.02 131.52 11.96 127.95 131.74 12.25 127.47 129.14 11.73 128.70 129.22 11.79 126.66 130.32 11.23 126.86 130.51 9.73 3 0 11.40-999 ?-999 ?-999 ? CL CL C 207 mARG^C 150 126.76 128.07 12.10 125.78 128.22 12.05 126.74 125.68 11.71 125.57 125.76 11.33 127.36 126.80 12.53 127.08 126.47 13.99 2 0 12.06-999 ?-999 ?-999 ? CL CL C 207 mPHE^C 151 127.52 124.63 11.50 128.38 124.65 12.01 127.87 122.26 11.02 129.07 122.25 11.31 127.16 123.55 10.61 127.53 123.92 9.18 3 0 11.13-999 ?-999 ?-999 ? CL CL C 207 mGLY^C 152 127.12 121.17 11.04 126.17 121.30 10.76 126.66 118.79 11.28 125.68 118.97 10.53 127.68 119.88 11.46-999.99-999.99-999.99 1 0 13.35-999 ?-999 ?-999 ? CL CL C 207 mASN^C 153 126.89 117.67 11.97 127.74 117.69 12.50 125.50 116.11 13.34 126.23 116.25 14.34 125.99 116.52 11.94 126.68 115.36 11.25 2 0 13.57-999 ?-999 ?-999 ? CL CL E 207 mLEU~C 154 124.26 115.64 13.43 123.74 115.64 12.57 124.44 113.88 15.03 124.45 112.96 14.23 123.72 115.18 14.69 122.20 114.99 14.61 3 0 12.41-999 ?-999 ?-999 ? CL CL E 207 mLEU~C 155 125.09 113.82 16.19 125.04 114.66 16.73 124.87 111.68 17.39 125.18 110.51 17.55 125.80 112.63 16.62 127.01 112.98 17.49 3 0 9.25-999 ?-999 ?-999 ? CL CL E 207 mTHR~C 156 123.74 112.19 17.85 123.56 113.13 17.59 121.37 111.49 18.29 120.97 112.43 17.60 122.85 111.37 18.69 122.96 111.78 20.19 2 0 9.85-999 ?-999 ?-999 ? CL CL E 207 mGLY~C 157 120.57 110.52 18.73 121.06 109.74 19.12 118.56 109.91 17.41 119.29 109.26 16.66 119.11 110.58 18.64-999.99-999.99-999.99 1 0 11.92-999 ?-999 ?-999 ? CL CL E 207 mSER~C 158 117.26 110.09 17.19 116.82 110.68 17.87 116.89 110.07 14.69 116.61 109.45 13.64 116.54 109.49 16.06 115.03 109.64 16.27 2 0 13.30-999 ?-999 ?-999 ? CL CL E 207 mASN~C 159 117.47 111.26 14.68 117.56 111.70 15.57 119.43 111.83 13.38 120.01 112.66 12.69 117.93 111.84 13.45 117.38 113.25 13.31 2 0 13.57-999 ?-999 ?-999 ? CL CL E 207 mVAL~C 160 120.06 110.87 14.07 119.46 110.25 14.57 122.00 110.74 12.61 121.41 110.04 11.83 121.53 110.78 14.06 122.06 109.55 14.81 3 0 10.08-999 ?-999 ?-999 ? CL CL E 207 mGLY~C 161 123.03 111.51 12.27 123.37 112.08 13.02 123.10 112.64 10.04 123.81 113.05 9.12 123.58 111.50 10.92-999.99-999.99-999.99 1 0 10.46-999 ?-999 ?-999 ? CL CL E 207 mASN~C 162 121.89 113.15 10.31 121.38 112.67 11.02 122.39 115.43 9.73 123.06 115.52 10.75 121.38 114.31 9.59 120.03 114.78 10.17 2 0 13.38-999 ?-999 ?-999 ? CL CL C 207 mTYR^C 163 122.51 116.26 8.70 122.04 115.95 7.87 122.39 118.50 9.51 121.17 118.37 9.46 123.28 117.50 8.80 123.71 118.00 7.41 3 0 11.03-999 ?-999 ?-999 ? CL CL C 207 mLEU^C 164 123.00 119.46 10.19 124.00 119.41 10.16 122.93 121.85 10.66 124.15 121.97 10.72 122.27 120.50 10.91 122.27 120.20 12.40 3 0 9.43-999 ?-999 ?-999 ? CL CL C 207 mLEU^C 165 122.12 122.87 10.38 121.16 122.62 10.34 121.94 125.17 11.14 120.73 125.20 11.20 122.63 124.21 10.15 122.38 124.65 8.69 3 0 7.32-999 ?-999 ?-999 ? CL CL C 207 mGLY^C 166 122.73 125.93 11.89 123.71 125.75 11.77 122.72 128.29 12.37 123.94 128.45 12.16 122.20 126.94 12.81-999.99-999.99-999.99 1 0 8.98-999 ?-999 ?-999 ? CL CL C 207 mVAL^C 167 121.83 129.27 12.20 120.89 129.00 12.42 121.58 131.67 12.65 120.39 131.64 12.88 122.22 130.61 11.75 121.82 130.86 10.26 3 0 9.09-999 ?-999 ?-999 ? CL CL C 207 mGLY^C 168 122.39 132.61 13.16 123.35 132.50 12.90 121.57 134.95 13.21 122.29 135.31 12.28 121.90 133.69 14.01-999.99-999.99-999.99 1 0 12.33-999 ?-999 ?-999 ? CL CL C 207 mTYR^C 169 120.48 135.61 13.59 120.04 135.22 14.40 119.58 137.86 13.90 119.18 137.55 15.01 119.98 136.79 12.90 118.77 136.44 12.03 3 0 13.30-999 ?-999 ?-999 ? CL CL C 207 mPRO~C 170 119.69 139.13 13.51 120.08 139.25 12.59 117.78 140.54 14.26 117.22 141.17 15.16 119.28 140.23 14.36 120.12 141.39 13.84 3 0 16.85-999 ?-999 ?-999 ? CL CL C 207 mSER~C 171 117.15 140.09 13.17 117.71 139.51 12.58 115.21 139.45 11.89 115.93 138.74 11.20 115.77 140.42 12.88 115.70 141.79 12.25 2 0 16.33-999 ?-999 ?-999 ? CL CL C 207 mMETC 172 113.90 139.45 11.76 113.41 140.04 12.40 113.43 139.21 9.35 113.46 138.48 8.36 113.29 138.62 10.76 111.86 138.36 11.15 2 0 14.40-999 ?-999 ?-999 ? CL CL C 207 mGLU~C 173 113.55 140.53 9.26 113.42 141.03 10.11 115.13 140.52 7.39 115.20 140.20 6.20 113.84 141.15 7.98 113.97 142.68 8.12 2 0 15.67-999 ?-999 ?-999 ? CL CL C 207 mALA~C 174 116.13 140.32 8.24 115.96 140.62 9.17 117.18 138.28 7.28 117.83 137.88 6.33 117.38 139.71 7.79 118.39 139.73 8.89 2 0 13.66-999 ?-999 ?-999 ? CL CL C 207 mILE~C 175 116.28 137.52 7.90 115.85 137.94 8.70 115.34 136.26 6.01 115.73 135.54 5.10 115.98 136.16 7.39 115.06 135.30 8.33 3 0 10.32-999 ?-999 ?-999 ? CL CL C 207 mGLU~C 176 114.36 137.16 5.86 114.15 137.68 6.69 114.67 137.64 3.47 114.61 137.05 2.40 113.68 137.33 4.58 112.62 138.43 4.65 2 0 11.25-999 ?-999 ?-999 ? CL CL D 207 mLYS~C 177 115.57 138.58 3.73 115.54 138.95 4.67 117.52 137.93 2.42 117.95 137.76 1.28 116.52 139.02 2.71 117.27 140.30 3.09 2 0 12.91-999 ?-999 ?-999 ? CL CL C 207 mTHR~C 178 117.90 137.18 3.45 117.51 137.45 4.34 118.19 135.01 2.37 118.81 134.61 1.39 118.81 136.08 3.26 119.21 135.43 4.55 2 0 9.86-999 ?-999 ?-999 ? CL CL C 207 mTYR~C 179 116.97 134.59 2.68 116.56 135.05 3.46 115.91 133.99 0.50 115.90 133.20 -0.45 116.33 133.51 1.91 115.20 132.83 2.71 3 0 -7.91-999 ?-999 ?-999 ? CL CL C 207s mASP~C 180 115.62 135.27 0.34 115.56 135.80 1.19 116.63 135.57 -1.88 116.48 135.10 -3.01 115.41 135.83 -0.99 115.11 137.34 -0.93 2 0 10.06-999 ?-999 ?-999 ? CL CL D 207 mGLU~C 181 117.82 135.84 -1.37 117.81 136.22 -0.44 119.34 134.12 -2.23 119.60 133.60 -3.32 119.03 135.61 -2.14 120.21 136.35 -1.53 2 0 11.63-999 ?-999 ?-999 ? CL CL C 207 mLEU~C 182 119.30 133.43 -1.09 118.95 133.97 -0.32 118.98 131.13 -1.97 119.59 130.36 -2.71 119.74 132.03 -1.00 119.57 131.47 0.43 3 0 8.31-999 ?-999 ?-999 ? CL CL C 207 mLEU~C 183 117.65 131.24 -1.99 117.29 131.94 -1.39 117.12 130.55 -4.35 116.87 129.63 -5.14 116.84 130.36 -2.84 115.34 130.53 -2.52 3 0 7.76-999 ?-999 ?-999 ? CL CL D 207 mALA~C 184 117.65 131.71 -4.74 117.76 132.38 -4.00 119.56 132.04 -6.25 120.08 132.93 -6.90 118.05 131.98 -6.12 117.45 133.28 -6.57 2 0 11.19-999 ?-999 ?-999 ? CL CL D 207 mHIS~C 185 120.27 131.10 -5.63 119.71 130.48 -5.08 122.10 129.61 -6.30 121.47 128.62 -5.92 121.73 130.99 -5.76 122.44 131.25 -4.43 3 0 12.15-999 ?-999 ?-999 ? CL CL C 207 mSER~C 186 123.10 129.55 -7.17 123.59 130.41 -7.29 123.82 127.17 -6.91 123.30 126.06 -7.02 123.45 128.30 -7.87 124.59 128.56 -8.87 2 0 13.96-999 ?-999 ?-999 ? CL CL C 207 mSER~C 187 124.73 127.47 -5.98 125.07 128.41 -6.03 124.04 125.96 -4.13 124.09 124.81 -3.70 125.18 126.51 -4.98 126.25 127.12 -4.07 2 0 12.14-999 ?-999 ?-999 ? CL CL C 207 mTYR~C 188 123.02 126.79 -3.87 123.14 127.72 -4.19 121.03 125.29 -4.00 120.67 124.21 -3.51 121.83 126.30 -3.16 120.91 127.45 -2.71 3 0 8.86-999 ?-999 ?-999 ? CL CL C 207 mLYS~C 189 120.76 125.62 -5.26 121.09 126.53 -5.52 120.82 123.41 -6.41 120.21 122.35 -6.60 120.04 124.72 -6.18 119.73 125.40 -7.53 2 0 11.34-999 ?-999 ?-999 ? CL CL C 207 mGLU~C 190 122.14 123.48 -6.37 122.52 124.41 -6.28 122.81 121.44 -5.18 122.69 120.22 -5.26 122.95 122.28 -6.44 124.42 122.59 -6.69 2 0 12.98-999 ?-999 ?-999 ? CL CL C 207 mLEU~C 191 122.83 122.09 -4.01 122.97 123.08 -4.09 121.35 120.60 -2.75 121.26 119.51 -2.19 122.67 121.38 -2.74 122.71 122.33 -1.53 3 0 10.19-999 ?-999 ?-999 ? CL CL C 207 mMETC 192 120.33 121.17 -3.40 120.55 122.05 -3.82 118.99 119.26 -4.33 118.00 118.53 -4.31 119.02 120.53 -3.48 117.96 121.51 -4.02 2 0 10.24-999 ?-999 ?-999 ? CL CL C 207 mTHR~C 193 120.06 118.99 -5.07 120.78 119.68 -5.03 120.57 116.56 -5.04 120.30 115.43 -5.45 120.14 117.78 -5.87 121.08 117.96 -7.09 2 0 13.91-999 ?-999 ?-999 ? CL CL C 207 mPHE~C 194 121.23 116.77 -3.90 121.33 117.74 -3.67 121.41 115.68 -1.57 121.84 114.82 -0.80 121.75 115.64 -3.08 123.28 115.51 -3.26 3 0 13.85-999 ?-999 ?-999 ? CL CL C 207 mALA~C 195 120.67 116.70 -1.16 120.40 117.33 -1.89 118.79 117.17 0.29 118.25 117.93 -0.52 120.29 116.89 0.23 121.06 118.02 0.85 2 0 10.79-999 ?-999 ?-999 ? CL CL C 207 mLYS^C 196 118.11 116.54 1.24 118.64 115.90 1.79 116.52 117.43 2.81 116.74 116.81 3.83 116.71 116.80 1.44 115.93 115.50 1.32 2 0 10.26-999 ?-999 ?-999 ? CL CL C 207 mVAL^C 197 116.13 118.69 2.81 116.10 119.12 1.91 114.50 118.71 4.57 113.52 118.59 3.86 115.76 119.38 4.03 115.53 120.86 3.76 3 0 7.41-999 ?-999 ?-999 ? CL CL C 207 mASN^C 198 114.55 118.23 5.81 115.43 118.36 6.27 112.88 118.35 7.63 111.99 117.87 8.32 113.40 117.58 6.42 113.77 116.13 6.79 2 0 10.07-999 ?-999 ?-999 ? CL CL C 207 mMETC 199 113.43 119.53 7.91 114.15 119.80 7.27 113.64 121.74 9.01 114.84 121.87 8.72 113.01 120.35 9.05 113.43 119.65 10.35 2 0 8.91-999 ?-999 ?-999 ? CL CL C 207 mARG^C 200 112.83 122.77 9.26 111.87 122.51 9.32 112.47 124.87 10.46 111.26 124.81 10.40 113.32 124.14 9.44 113.29 124.90 8.14 2 0 -6.96-999 ?-999 ?-999 ? CL CL C 207s mASN^C 201 113.11 125.56 11.39 114.10 125.58 11.28 113.11 127.46 13.01 114.34 127.56 12.95 112.39 126.22 12.47 112.14 125.24 13.61 2 0 9.49-999 ?-999 ?-999 ? CL CL C 207 mILE^C 202 112.32 128.40 13.53 111.34 128.17 13.51 112.75 129.55 15.59 111.75 129.07 16.16 112.83 129.64 14.07 112.10 130.88 13.52 3 0 11.08-999 ?-999 ?-999 ? CL CL C 207 mILE^C 203 113.83 129.98 16.24 114.62 130.16 15.65 113.95 131.65 17.95 114.77 132.33 17.34 113.86 130.16 17.68 115.10 129.56 18.34 3 0 14.01-999 ?-999 ?-999 ? CL CL C 207 mLYS^C 204 113.13 132.12 18.89 112.45 131.46 19.20 114.03 133.47 20.67 113.63 132.83 21.65 113.22 133.50 19.40 111.83 134.08 19.68 2 0 13.66-999 ?-999 ?-999 ? CL CL D 208 mILE^C 205 115.17 134.15 20.66 115.39 134.58 19.79 115.26 135.02 22.93 114.78 136.12 22.67 116.01 134.24 21.86 117.35 134.96 21.60 3 0 16.94-999 ?-999 ?-999 ? CL CL D 208 mLEU~C 206 115.14 134.41 24.11 115.53 133.49 24.13 115.60 135.51 26.22 116.67 134.86 26.28 114.50 135.05 25.26 113.53 134.07 25.96 3 0 16.86-999 ?-999 ?-999 ? CL CL D 208 mSER~D 2 75.14 130.47 7.41 74.83 130.23 8.33 76.41 132.15 6.01 76.78 132.66 4.95 75.60 130.84 6.04 74.41 130.91 5.09 2 0 26.77-999 ?-999 ?-999 ? CL CL D 208 mASN~D 3 76.67 132.70 7.20 76.06 132.37 7.93 79.11 133.04 7.45 80.12 133.73 7.35 77.73 133.68 7.43 77.55 134.36 8.79 2 0 24.22-999 ?-999 ?-999 ? CL CL D 208 mILE~D 4 79.12 131.72 7.65 78.21 131.34 7.80 80.80 130.72 6.19 79.99 130.59 5.26 80.33 130.91 7.64 80.12 129.48 8.31 3 0 21.82-999 ?-999 ?-999 ? CL CL D 208 mASN^D 5 82.11 130.73 6.02 82.62 130.97 6.85 83.64 129.18 4.96 83.75 128.68 6.07 82.76 130.40 4.75 83.56 131.62 4.28 2 0 21.34-999 ?-999 ?-999 ? CL CL D 208 mTYR^D 6 84.26 128.67 3.90 84.13 129.19 3.05 86.40 127.64 3.30 86.48 128.33 2.27 85.06 127.45 3.99 84.29 126.26 3.42 3 0 20.60-999 ?-999 ?-999 ? CL CL D 208 mVAL^D 7 87.45 127.05 3.90 87.21 126.61 4.76 89.24 125.60 3.12 89.05 124.74 3.98 88.82 127.06 3.37 89.82 127.72 4.36 3 0 18.69-999 ?-999 ?-999 ? CL CL D 208 mILE^D 8 89.77 125.31 1.94 89.74 126.06 1.28 91.83 124.15 1.65 92.34 125.07 1.04 90.33 123.98 1.66 89.84 123.40 0.30 3 0 20.33-999 ?-999 ?-999 ? CL CL D 208 mLEU^D 9 92.56 123.29 2.35 92.02 122.61 2.85 94.61 122.04 1.88 94.31 120.98 2.44 94.02 123.36 2.36 94.53 123.67 3.77 3 0 17.42-999 ?-999 ?-999 ? CL CL D 207 mTHR^D 10 95.44 122.10 0.84 95.62 123.04 0.53 97.55 121.03 0.33 98.10 122.09 0.08 96.03 120.93 0.23 95.64 120.88 -1.24 2 0 16.17-999 ?-999 ?-999 ? CL CL D 207 mVAL^D 11 98.21 119.94 0.71 97.63 119.15 0.91 100.23 118.75 0.04 99.72 117.63 0.05 99.65 119.90 0.84 100.08 119.69 2.28 3 0 13.38-999 ?-999 ?-999 ? CL CL D 207 mALA^D 12 101.31 119.04 -0.67 101.66 119.96 -0.54 103.40 118.17 -1.51 103.93 119.27 -1.34 101.90 118.04 -1.56 101.42 118.24 -2.97 2 0 13.02-999 ?-999 ?-999 ? CL CL D 207 mSER^D 13 104.08 117.04 -1.62 103.53 116.21 -1.57 105.79 117.14 -3.30 105.16 116.46 -4.08 105.52 117.04 -1.81 106.15 115.78 -1.26 2 0 11.71-999 ?-999 ?-999 ? CL CL D 207 mVAL^D 14 106.74 117.98 -3.68 107.23 118.41 -2.92 108.52 118.29 -5.29 109.23 118.85 -4.47 107.01 118.26 -5.09 106.37 119.60 -5.53 3 0 11.38-999 ?-999 ?-999 ? CL CL D 207 mASP~D 15 108.99 117.67 -6.37 108.29 117.21 -6.91 110.87 119.13 -6.77 110.14 119.95 -7.33 110.42 117.69 -6.71 110.67 117.07 -8.09 2 0 12.11-999 ?-999 ?-999 ? CL CL D 207 mPHE~D 16 112.04 119.46 -6.22 112.54 118.69 -5.82 112.54 121.45 -7.66 112.18 122.61 -7.85 112.51 120.86 -6.23 113.89 121.03 -5.57 3 0 9.61-999 ?-999 ?-999 ? CL CL D 207 mSER~D 17 112.95 120.65 -8.64 113.16 119.72 -8.34 111.75 121.55 -10.64 111.72 122.46 -11.46 113.08 121.12 -10.01 113.74 120.04 -10.88 2 0 12.66-999 ?-999 ?-999 ? CL CL D 207 mTYR~D 18 110.66 120.90 -10.24 110.83 120.23 -9.51 108.67 122.40 -10.22 107.64 122.83 -10.73 109.35 121.16 -10.82 108.45 119.92 -10.67 3 0 13.29-999 ?-999 ?-999 ? CL CL D 207 mARG~D 19 109.25 122.97 -9.17 110.15 122.58 -8.95 108.13 125.21 -9.25 107.05 125.74 -9.05 108.62 124.07 -8.41 109.57 124.67 -7.37 2 0 -10.14-999 ?-999 ?-999 ? CL CL D 207s mGLU~D 20 108.99 125.64 -10.15 109.84 125.12 -10.19 107.53 126.49 -11.93 106.57 127.25 -12.03 108.68 126.79 -10.99 109.86 127.11 -11.91 2 0 12.21-999 ?-999 ?-999 ? CL CL D 207 mTHR~D 21 107.68 125.40 -12.66 108.54 124.91 -12.52 105.30 124.81 -12.86 104.26 125.21 -13.37 106.64 124.97 -13.59 107.01 123.63 -14.27 2 0 15.35-999 ?-999 ?-999 ? CL CL D 207 mMETD 22 105.35 124.21 -11.67 106.27 123.92 -11.40 103.41 125.31 -10.63 102.20 125.37 -10.86 104.17 124.00 -10.85 104.62 123.42 -9.51 2 0 14.00-999 ?-999 ?-999 ? CL CL D 207 mALA~D 23 104.11 126.33 -10.16 105.09 126.13 -10.06 102.76 128.20 -11.02 101.67 128.76 -10.89 103.50 127.64 -9.83 104.57 128.63 -9.39 2 0 13.18-999 ?-999 ?-999 ? CL CL D 207 mARG~D 24 103.39 128.05 -12.18 104.26 127.57 -12.11 101.59 127.76 -13.80 100.56 128.35 -14.16 102.85 128.55 -13.43 103.89 128.45 -14.56 2 0 16.63-999 ?-999 ?-999 ? CL CL D 207 mLEU~D 25 101.64 126.43 -13.70 102.54 126.06 -13.47 99.32 125.99 -12.91 98.14 126.09 -13.26 100.43 125.62 -13.94 100.74 124.11 -13.91 3 0 18.34-999 ?-999 ?-999 ? CL CL D 207 mMETD 26 99.72 126.22 -11.66 100.71 126.20 -11.52 98.00 127.76 -10.77 96.81 127.82 -10.49 98.75 126.47 -10.60 99.42 126.48 -9.24 2 0 16.88-999 ?-999 ?-999 ? CL CL D 207 mSER~D 27 98.68 128.81 -11.22 99.65 128.65 -11.38 96.96 129.98 -12.58 95.94 130.67 -12.57 97.98 130.09 -11.44 98.95 131.25 -11.67 2 0 18.26-999 ?-999 ?-999 ? CL CL D 207 mSER~D 28 97.21 129.09 -13.55 98.12 128.67 -13.50 95.03 128.08 -13.98 93.88 128.48 -14.17 96.22 128.80 -14.59 96.81 127.95 -15.70 2 0 21.55-999 ?-999 ?-999 ? CL CL D 207 mTYR~D 29 95.32 127.02 -13.24 96.29 126.77 -13.22 93.52 127.22 -11.55 92.32 127.06 -11.38 94.29 126.30 -12.51 94.90 125.15 -11.73 3 0 21.49-999 ?-999 ?-999 ? CL CL D 207 mSER~D 30 94.20 128.18 -10.94 95.18 128.18 -11.12 92.47 129.97 -10.81 91.36 130.14 -10.31 93.51 129.15 -10.07 94.49 130.13 -9.41 2 0 20.80-999 ?-999 ?-999 ? CL CL D 207 mLYS~D 31 92.86 130.51 -11.98 93.82 130.33 -12.21 90.72 130.45 -13.11 89.59 130.92 -12.94 91.96 131.28 -12.83 92.64 131.69 -14.15 2 0 23.91-999 ?-999 ?-999 ? CL CL D 207 mASP~D 32 90.94 129.19 -13.48 91.91 128.96 -13.55 88.87 128.21 -12.58 87.67 128.34 -12.78 89.86 128.25 -13.74 90.44 126.85 -14.00 2 0 25.80-999 ?-999 ?-999 ? CL CL D 207 mLEU~D 33 89.38 128.05 -11.37 90.38 128.02 -11.36 87.85 129.23 -9.80 86.70 129.21 -9.35 88.55 127.94 -10.17 89.38 127.48 -8.98 3 0 25.09-999 ?-999 ?-999 ? CL CL D 207 mILE~D 34 88.55 130.34 -9.96 89.49 130.19 -10.28 86.83 131.97 -10.63 85.77 132.42 -10.21 87.99 131.66 -9.67 89.10 132.77 -9.75 3 0 25.78-999 ?-999 ?-999 ? CL CL D 207 mASP~D 35 87.03 131.69 -11.91 87.90 131.24 -12.10 84.88 131.00 -13.07 83.76 131.40 -13.32 86.03 132.01 -12.93 86.72 132.22 -14.29 2 0 29.02-999 ?-999 ?-999 ? CL CL D 207 mASN~D 36 85.15 129.71 -12.89 86.08 129.53 -12.57 83.58 127.95 -11.91 82.46 127.43 -11.97 84.14 128.66 -13.14 84.71 127.60 -14.08 2 0 30.39-999 ?-999 ?-999 ? CL CL D 207 mALA~D 37 84.37 127.88 -10.84 85.27 128.31 -10.96 83.42 128.21 -8.58 82.88 127.82 -7.55 83.96 127.22 -9.60 85.13 126.46 -8.99 2 0 29.04-999 ?-999 ?-999 ? CL CL D 207 mGLY~D 38 83.57 129.50 -8.86 84.01 129.67 -9.75 84.07 130.77 -6.75 83.68 131.36 -5.76 83.15 130.56 -7.94-999.99-999.99-999.99 1 0 29.46-999 ?-999 ?-999 ? CL CL D 207 mALA~D 39 85.31 130.27 -6.87 85.47 129.81 -7.74 86.57 131.86 -5.55 86.84 132.64 -6.46 86.31 130.40 -5.84 87.60 129.74 -6.30 2 0 25.83-999 ?-999 ?-999 ? CL CL D 207 mLYS~D 40 86.51 132.24 -4.28 86.31 131.49 -3.64 88.18 133.92 -3.57 88.48 134.62 -2.63 86.71 133.63 -3.87 85.83 133.96 -2.65 2 0 25.06-999 ?-999 ?-999 ? CL CL D 208 mGLY~D 41 89.09 133.38 -4.38 88.70 132.86 -5.14 91.29 132.29 -3.86 90.73 131.32 -3.39 90.53 133.57 -4.14-999.99-999.99-999.99 1 0 22.09-999 ?-999 ?-999 ? CL CL D 207 mTHR^D 42 92.57 132.27 -4.20 92.86 133.08 -4.72 94.83 131.69 -3.38 95.20 132.85 -3.56 93.46 131.18 -3.85 93.73 130.27 -5.04 2 0 18.66-999 ?-999 ?-999 ? CL CL D 207 mARG^D 43 95.58 130.79 -2.74 95.08 129.95 -2.51 97.77 129.76 -2.74 97.29 128.63 -2.57 96.98 131.01 -2.42 97.19 131.31 -0.94 2 0 14.97-999 ?-999 ?-999 ? CL CL D 207 mPHE^D 44 98.99 129.97 -3.20 99.22 130.93 -3.31 101.26 129.30 -3.04 101.73 130.38 -3.35 99.89 128.89 -3.52 99.95 128.64 -5.04 3 0 12.13-999 ?-999 ?-999 ? CL CL D 207 mGLY^D 45 101.90 128.43 -2.29 101.43 127.55 -2.18 103.94 127.50 -1.21 103.46 126.37 -1.32 103.18 128.74 -1.68-999.99-999.99-999.99 1 0 8.43-999 ?-999 ?-999 ? CL CL D 207 mSER^D 46 105.14 127.72 -0.69 105.47 128.66 -0.76 105.81 126.80 1.45 105.87 127.93 1.96 105.88 126.64 -0.07 107.33 126.62 -0.53 2 0 -5.23-999 ?-999 ?-999 ? CL CL D 207s mILE^D 47 105.67 125.68 2.16 105.52 124.87 1.60 107.19 125.83 4.02 108.04 125.01 3.65 105.74 125.65 3.63 105.25 124.32 4.22 3 0 6.03-999 ?-999 ?-999 ? CL CL D 207 mGLY~D 48 107.47 126.91 4.75 106.67 127.41 5.07 109.43 126.65 6.29 110.66 126.54 6.41 108.85 127.30 5.05-999.99-999.99-999.99 1 0 4.60-999 ?-999 ?-999 ? CL CL D 207 mTHR~D 49 108.57 126.23 7.20 107.61 126.25 6.91 108.39 124.44 8.89 107.52 123.90 8.19 109.02 125.77 8.50 108.69 126.82 9.57 2 0 7.85-999 ?-999 ?-999 ? CL CL D 207 mGLY~D 50 108.85 123.91 10.02 109.60 124.42 10.44 108.74 121.43 9.84 109.66 121.48 9.02 108.31 122.68 10.59-999.99-999.99-999.99 1 0 10.86-999 ?-999 ?-999 ? CL CL D 207 mASP~D 51 108.05 120.32 10.11 107.27 120.48 10.71 108.05 118.87 8.10 108.61 118.04 7.41 108.41 118.99 9.58 107.75 117.82 10.39 2 0 12.03-999 ?-999 ?-999 ? CL CL D 207 mHIS~D 52 107.12 119.71 7.63 106.71 120.29 8.32 107.47 120.85 5.42 107.06 121.21 4.30 106.75 119.75 6.21 105.25 119.94 6.08 3 0 9.89-999 ?-999 ?-999 ? CL CL D 207 mALA~D 53 108.56 121.37 5.98 108.76 121.02 6.89 109.68 121.89 3.88 110.15 120.77 3.68 109.38 122.35 5.30 110.67 122.54 6.08 2 0 6.54-999 ?-999 ?-999 ? CL CL D 207 mGLY~D 54 109.42 122.73 2.89 109.01 123.61 3.16 108.56 121.71 0.77 108.61 121.61 -0.43 109.71 122.35 1.51-999.99-999.99-999.99 1 0 4.86-999 ?-999 ?-999 ? CL CL D 207 mSER~D 55 107.50 121.28 1.45 107.60 121.26 2.44 105.60 122.12 0.25 105.83 123.20 0.81 106.30 120.86 0.72 105.39 120.04 1.61 2 0 7.73-999 ?-999 ?-999 ? CL CL D 207 mLEU^D 56 104.75 121.98 -0.77 104.71 121.06 -1.15 102.55 122.99 -0.71 102.11 121.91 -0.33 103.96 123.09 -1.29 103.96 123.08 -2.82 3 0 8.36-999 ?-999 ?-999 ? CL CL D 207 mILE^D 57 101.87 124.14 -0.63 102.37 124.93 -0.97 99.66 125.07 -1.00 100.15 126.02 -1.59 100.52 124.20 -0.08 100.52 124.75 1.38 3 0 10.89-999 ?-999 ?-999 ? CL CL D 207 mPHE^D 58 98.40 124.68 -1.15 98.17 123.86 -0.63 96.25 125.65 -1.11 95.81 124.75 -0.39 97.44 125.36 -2.00 97.03 124.48 -3.19 3 0 13.98-999 ?-999 ?-999 ? CL CL D 207 mILE^D 59 95.74 126.88 -1.14 96.19 127.50 -1.78 93.52 127.83 -1.13 93.78 128.68 -1.98 94.63 127.25 -0.28 95.07 128.28 0.74 3 0 16.42-999 ?-999 ?-999 ? CL CL D 207 mGLN^D 60 92.30 127.34 -0.93 92.26 126.68 -0.18 90.10 128.30 -0.78 89.92 127.73 0.30 91.14 127.74 -1.73 90.55 126.54 -2.49 2 0 20.06-999 ?-999 ?-999 ? CL CL D 207 mPHE^D 61 89.42 129.40 -1.15 89.73 129.78 -2.02 87.00 129.91 -1.05 86.89 130.31 -2.21 88.33 129.98 -0.33 88.61 131.43 0.05 3 0 21.33-999 ?-999 ?-999 ? CL CL D 208 mTYR^D 62 85.99 129.40 -0.35 86.23 129.10 0.57 83.64 129.76 0.14 83.82 129.56 1.34 84.66 129.30 -0.90 84.36 127.86 -1.32 3 0 24.02-999 ?-999 ?-999 ? CL CL D 208 mASP~D 63 82.58 130.38 -0.35 82.59 130.52 -1.34 80.63 129.64 0.93 80.06 129.65 2.02 81.50 130.82 0.51 80.70 131.93 -0.17 2 0 24.98-999 ?-999 ?-999 ? CL CL D 208 mASP~D 64 80.57 128.63 0.06 81.13 128.77 -0.76 80.52 126.20 -0.14 81.42 126.26 -0.97 79.78 127.44 0.28 78.51 127.52 -0.55 2 0 26.85-999 ?-999 ?-999 ? CL CL D 208 mLEU~D 65 80.11 125.08 0.41 79.40 125.18 1.11 80.19 123.44 -1.40 80.85 122.66 -2.08 80.66 123.81 -0.01 80.28 122.72 0.98 3 0 27.34-999 ?-999 ?-999 ? CL CL D 208 mTHR~D 66 79.08 124.02 -1.84 78.56 124.49 -1.13 79.80 124.35 -4.17 80.07 123.68 -5.17 78.67 123.94 -3.24 77.53 124.93 -3.52 2 0 30.79-999 ?-999 ?-999 ? CL CL D 208 mGLY~D 67 80.43 125.48 -3.84 80.02 125.97 -3.07 82.68 124.86 -4.69 83.21 124.63 -5.80 81.61 125.93 -4.55-999.99-999.99-999.99 1 0 29.31-999 ?-999 ?-999 ? CL CL D 208 mTYR~D 68 83.00 124.19 -3.58 82.47 124.43 -2.77 83.69 121.97 -4.49 84.55 121.38 -5.17 84.07 123.18 -3.61 84.48 122.74 -2.19 3 0 27.58-999 ?-999 ?-999 ? CL CL D 207 mGLN~D 69 82.40 121.63 -4.51 81.82 122.17 -3.89 82.08 120.89 -6.86 82.45 120.03 -7.66 81.92 120.56 -5.37 80.45 120.25 -5.07 2 0 28.71-999 ?-999 ?-999 ? CL CL B 207 mLYS~D 70 81.81 122.14 -7.23 81.46 122.73 -6.50 83.50 122.50 -8.94 83.88 122.07 -10.02 82.02 122.59 -8.61 81.53 124.03 -8.84 2 0 30.85-999 ?-999 ?-999 ? CL CL D 207 mALA~D 71 84.33 122.90 -7.99 83.88 123.26 -7.17 86.21 121.39 -8.40 87.07 121.15 -9.25 85.77 122.82 -8.14 86.45 123.38 -6.92 2 0 27.15-999 ?-999 ?-999 ? CL CL D 207 mLEU~D 72 85.63 120.43 -7.68 85.00 120.76 -6.98 85.57 118.59 -9.35 86.31 117.82 -9.97 85.93 119.01 -7.92 85.23 118.10 -6.90 3 0 27.25-999 ?-999 ?-999 ? CL CL B 207 mGLU~D 73 84.44 119.11 -9.87 83.94 119.69 -9.23 84.97 119.48 -12.24 85.22 118.93 -13.31 84.01 118.84 -11.24 82.58 119.34 -11.49 2 0 28.63-999 ?-999 ?-999 ? CL CL B 207 mILE~D 74 85.50 120.65 -11.88 85.14 121.01 -11.02 87.85 120.53 -12.78 88.53 120.56 -13.81 86.53 121.32 -12.69 86.80 122.76 -12.15 3 0 28.60-999 ?-999 ?-999 ? CL CL D 207 mGLN~D 75 88.21 119.83 -11.71 87.60 119.92 -10.93 89.38 117.92 -12.76 90.28 117.82 -13.60 89.41 119.01 -11.72 89.61 118.37 -10.37 2 0 26.29-999 ?-999 ?-999 ? CL CL D 207 mSER~D 76 88.34 117.10 -12.70 87.68 117.33 -11.98 88.34 116.37 -15.09 88.82 115.59 -15.89 88.19 115.98 -13.62 86.84 115.31 -13.40 2 0 26.90-999 ?-999 ?-999 ? CL CL B 207 mLYS~D 77 87.93 117.60 -15.42 87.58 118.13 -14.65 89.30 118.86 -17.13 89.60 119.08 -18.30 88.00 118.10 -16.80 86.78 119.00 -17.08 2 0 30.41-999 ?-999 ?-999 ? CL CL D 207 mSER~D 78 90.07 119.24 -16.12 89.79 118.89 -15.23 92.50 119.41 -16.87 93.00 118.44 -16.27 91.25 120.12 -16.33 91.61 120.82 -15.01 2 0 27.15-999 ?-999 ?-999 ? CL CL D 207 mSER~D 79 93.02 119.94 -17.98 92.48 120.69 -18.35 95.48 119.83 -17.76 96.41 119.03 -17.60 94.26 119.45 -18.59 94.41 119.99 -20.01 2 0 26.84-999 ?-999 ?-999 ? CL CL D 207 mVAL~D 80 95.47 121.06 -17.23 94.70 121.61 -17.54 96.64 120.60 -15.09 97.75 120.20 -14.72 96.50 121.54 -16.30 96.17 122.99 -15.85 3 0 23.22-999 ?-999 ?-999 ? CL CL D 207 mPHE~D 81 95.51 120.22 -14.51 94.69 120.63 -14.91 95.97 117.90 -13.77 96.72 117.28 -13.03 95.49 119.29 -13.38 94.08 119.22 -12.80 3 0 22.51-999 ?-999 ?-999 ? CL CL D 207 mLYS~D 82 95.54 117.41 -14.93 94.90 118.00 -15.42 97.51 116.04 -15.59 98.17 115.03 -15.27 95.99 116.09 -15.41 95.29 115.73 -16.74 2 0 24.77-999 ?-999 ?-999 ? CL CL D 207 mGLU~D 83 98.07 117.12 -16.13 97.42 117.85 -16.33 100.30 117.09 -15.10 101.28 116.35 -15.05 99.50 117.22 -16.39 99.80 118.55 -17.06 2 0 23.03-999 ?-999 ?-999 ? CL CL D 207 mILE~D 84 99.88 117.83 -14.08 99.07 118.38 -14.27 100.56 116.37 -12.25 101.60 115.87 -11.82 100.55 117.80 -12.79 99.86 118.79 -11.79 3 0 19.59-999 ?-999 ?-999 ? CL CL D 207 mMETD 85 99.41 115.71 -12.33 98.67 116.24 -12.75 100.03 113.33 -12.65 100.64 112.41 -12.10 99.24 114.35 -11.84 97.75 113.97 -11.90 2 0 21.52-999 ?-999 ?-999 ? CL CL D 207 mASP~D 86 100.00 113.49 -13.97 99.45 114.27 -14.28 102.24 112.78 -14.80 102.99 111.89 -15.20 100.71 112.59 -14.88 100.22 112.75 -16.33 2 0 23.78-999 ?-999 ?-999 ? CL CL D 207 mSER~D 87 102.70 113.91 -14.27 102.00 114.53 -13.91 104.87 113.22 -13.28 106.03 112.88 -13.51 104.14 114.18 -14.22 104.42 115.64 -13.82 2 0 21.05-999 ?-999 ?-999 ? CL CL D 207 mGLY~D 88 104.18 112.77 -12.23 103.22 113.05 -12.22 105.75 112.73 -10.32 106.50 112.14 -9.55 104.79 111.95 -11.19-999.99-999.99-999.99 1 0 20.34-999 ?-999 ?-999 ? CL CL D 207 mLYS~D 89 105.71 114.07 -10.43 105.01 114.38 -11.07 105.87 115.70 -8.54 106.49 116.48 -7.80 106.60 114.97 -9.68 107.23 116.00 -10.64 2 0 16.68-999 ?-999 ?-999 ? CL CL D 207 mALA^D 90 104.57 115.46 -8.39 104.19 114.84 -9.08 102.94 114.97 -6.61 102.22 114.22 -7.26 103.77 116.05 -7.31 102.86 117.13 -7.87 2 0 15.53-999 ?-999 ?-999 ? CL CL D 207 mASN^D 91 103.08 114.86 -5.30 103.76 115.47 -4.90 101.49 114.65 -3.44 102.08 115.21 -2.50 102.28 113.93 -4.54 103.14 112.85 -3.91 2 0 16.66-999 ?-999 ?-999 ? CL CL D 207 mILE^D 92 100.16 114.66 -3.59 99.84 114.25 -4.44 99.19 114.23 -1.42 98.80 113.11 -1.64 99.26 115.21 -2.57 97.86 115.36 -3.11 3 0 17.01-999 ?-999 ?-999 ? CL CL D 207 mTYR^D 93 99.57 114.64 -0.22 99.91 115.58 -0.17 98.61 114.21 2.07 98.47 113.53 3.08 99.48 113.72 0.93 100.87 113.35 1.46 3 0 17.58-999 ?-999 ?-999 ? CL CL D 207 mLEU^D 94 98.03 115.38 1.91 98.26 115.87 1.07 96.17 116.88 2.26 96.57 117.71 1.42 97.14 115.89 2.91 97.93 116.56 4.02 3 0 17.87-999 ?-999 ?-999 ? CL CL D 207 mARG^D 95 94.89 116.75 2.61 94.68 115.89 3.08 92.86 117.87 3.39 92.26 116.86 3.73 93.91 117.79 2.31 93.21 117.53 1.00 2 0 19.45-999 ?-999 ?-999 ? CL CL D 207 mASN^D 96 92.62 119.07 3.92 93.23 119.80 3.60 90.75 120.53 4.66 91.17 121.39 3.92 91.54 119.26 4.89 92.07 119.21 6.30 2 0 20.09-999 ?-999 ?-999 ? CL CL D 208 mILE^D 97 89.57 120.60 5.29 89.39 119.83 5.89 88.53 122.37 6.46 88.46 121.70 7.48 88.63 121.69 5.13 87.23 121.18 4.78 3 0 19.87-999 ?-999 ?-999 ? CL CL D 208 mSER^D 98 88.49 123.70 6.45 88.58 124.10 5.54 87.14 125.47 7.52 86.87 125.94 6.42 88.32 124.49 7.66 89.60 125.29 7.92 2 0 17.10-999 ?-999 ?-999 ? CL CL D 208 mTHR^D 99 86.46 125.79 8.62 86.68 125.26 9.44 86.24 128.15 8.55 87.40 128.18 8.93 85.47 126.85 8.57 84.54 126.82 9.80 2 0 17.77-999 ?-999 ?-999 ? CL CL D 208 mSER^D 100 85.58 129.22 8.10 84.72 129.01 7.63 84.96 131.42 8.88 83.94 131.62 8.24 86.08 130.57 8.30 86.57 131.17 6.99 2 0 16.59-999 ?-999 ?-999 ? CL CL D 208 mLEU~D 101 85.14 131.88 10.11 86.05 131.68 10.49 84.34 134.12 10.69 85.48 134.57 10.53 84.12 132.61 10.83 84.17 132.24 12.31 3 0 16.97-999 ?-999 ?-999 ? CL CL D 208 mPRO~D 102 83.24 134.90 10.72 82.37 134.40 10.65 84.15 136.87 11.98 83.98 136.47 13.13 83.27 136.35 10.84 81.81 136.71 11.14 3 0 18.16-999 ?-999 ?-999 ? CL CL D 208 mTHR~D 103 85.09 137.75 11.63 85.14 137.92 10.65 85.97 139.91 12.38 85.78 140.39 11.26 85.97 138.41 12.60 87.44 137.90 12.51 2 0 15.73-999 ?-999 ?-999 ? CL CL D 208 mLYS~D 104 86.18 140.65 13.46 86.34 140.11 14.29 87.58 142.54 13.03 88.35 142.96 13.89 86.18 142.10 13.42 85.71 142.68 14.77 2 0 17.06-999 ?-999 ?-999 ? CL CL D 208 mPHE~D 105 87.93 142.40 11.75 87.19 142.05 11.17 89.14 143.38 9.88 88.43 142.88 9.03 89.27 142.75 11.25 90.17 141.50 11.16 3 0 15.88-999 ?-999 ?-999 ? CL CL D 208 mGLU~D 106 89.85 144.47 9.64 90.44 144.77 10.39 90.59 144.47 7.29 91.81 144.64 7.27 89.73 145.15 8.36 90.08 146.62 8.48 2 0 18.50-999 ?-999 ?-999 ? CL CL D 208 mGLN~D 107 89.95 143.69 6.41 88.95 143.71 6.50 91.24 143.80 4.34 90.58 144.74 3.92 90.68 142.90 5.42 89.82 141.81 4.77 2 0 18.30-999 ?-999 ?-999 ? CL CL D 208 mSER~D 108 92.46 143.50 3.91 92.91 142.79 4.45 93.05 143.17 1.56 93.07 141.95 1.71 93.07 144.14 2.75 94.51 144.57 3.06 2 0 19.91-999 ?-999 ?-999 ? CL CL D 208 mTYR~D 109 93.05 143.72 0.36 93.02 144.72 0.35 94.52 142.64 -1.31 94.72 141.91 -2.27 93.09 142.87 -0.82 92.19 143.39 -1.93 3 0 22.06-999 ?-999 ?-999 ? CL CL D 208 mGLU~D 110 95.50 143.26 -0.65 95.19 143.86 0.09 97.23 141.60 -0.95 96.96 140.93 0.02 96.90 143.08 -0.98 97.81 143.80 0.01 2 0 21.47-999 ?-999 ?-999 ? CL CL D 208 mHIS~D 111 97.81 141.10 -2.03 97.89 141.73 -2.80 99.44 139.58 -1.06 100.42 140.31 -1.15 98.28 139.72 -2.05 98.69 139.29 -3.47 3 0 18.24-999 ?-999 ?-999 ? CL CL D 207 mPRO~D 112 99.35 138.63 -0.11 98.54 138.04 -0.16 101.64 137.87 0.37 101.55 137.05 -0.52 100.39 138.53 0.90 99.78 137.62 1.95 3 0 15.66-999 ?-999 ?-999 ? CL CL D 207 mLYS~D 113 102.79 138.24 0.92 102.73 138.97 1.60 104.29 136.42 1.45 104.92 135.47 1.03 104.02 137.60 0.52 105.17 138.62 0.42 2 0 12.69-999 ?-999 ?-999 ? CL CL D 207 mTYR^D 114 103.79 136.49 2.68 103.35 137.36 2.88 102.54 135.18 4.36 101.82 136.17 4.60 103.89 135.38 3.65 105.00 135.63 4.71 3 0 11.30-999 ?-999 ?-999 ? CL CL D 207 mILE^D 115 102.22 133.92 4.67 102.82 133.23 4.26 101.61 132.79 6.78 102.50 131.93 6.68 101.10 133.56 5.54 100.08 132.67 4.81 3 0 12.10-999 ?-999 ?-999 ? CL CL D 208 mVAL^D 116 101.05 133.11 7.95 100.46 133.91 7.92 100.07 131.54 9.56 99.04 132.15 9.81 101.34 132.30 9.15 101.84 133.15 10.31 3 0 8.53-999 ?-999 ?-999 ? CL CL D 208 mLEU^D 117 100.14 130.21 9.56 101.01 129.87 9.20 99.39 128.95 11.47 100.51 128.50 11.73 99.05 129.33 10.05 98.90 128.03 9.24 3 0 8.17-999 ?-999 ?-999 ? CL CL D 208 mTHR^D 118 98.44 129.16 12.38 97.64 129.64 12.02 97.41 127.80 14.06 96.27 128.11 13.66 98.59 128.71 13.78 98.54 129.87 14.82 2 0 -5.49-999 ?-999 ?-999 ? CL CL D 208s mARG^D 119 97.68 126.68 14.71 98.64 126.58 14.97 96.67 125.49 16.54 97.75 125.32 17.11 96.65 125.71 15.03 96.95 124.38 14.32 2 0 7.91-999 ?-999 ?-999 ? CL CL D 208 mALA^D 120 95.49 125.42 17.17 94.70 125.50 16.57 94.29 124.29 19.08 93.29 124.09 18.39 95.39 125.26 18.63 95.17 126.60 19.25 2 0 8.56-999 ?-999 ?-999 ? CL CL D 208 mGLU^D 121 94.48 123.72 20.26 95.37 123.95 20.66 92.73 123.63 21.95 93.32 124.32 22.78 93.50 122.83 20.91 94.20 121.73 21.71 2 0 12.04-999 ?-999 ?-999 ? CL CL D 208 mALA~D 122 91.42 123.50 21.95 91.05 122.95 21.20 89.24 123.47 22.98 88.84 122.88 21.96 90.61 124.13 22.98 90.48 125.64 22.76 2 0 13.57-999 ?-999 ?-999 ? CL CL D 208 mALA~D 123 88.54 123.54 24.10 89.02 123.99 24.86 86.26 123.72 23.16 86.50 124.90 22.83 87.17 123.02 24.18 86.61 123.18 25.59 2 0 17.12-999 ?-999 ?-999 ? CL CL D 208 mMETD 124 85.26 123.00 22.64 85.28 122.04 22.91 83.43 124.62 22.47 82.92 125.57 21.88 84.23 123.56 21.75 83.28 122.44 21.30 2 0 18.41-999 ?-999 ?-999 ? CL CL D 208 mSER~D 125 83.29 124.40 23.78 83.72 123.56 24.11 83.28 126.65 24.89 82.66 127.59 25.38 82.56 125.32 24.66 82.27 124.66 26.01 2 0 19.96-999 ?-999 ?-999 ? CL CL D 208 mASP~D 126 84.56 126.75 24.55 84.98 125.89 24.25 85.31 128.75 23.30 86.06 129.70 23.14 85.27 128.02 24.65 86.67 127.80 25.20 2 0 16.74-999 ?-999 ?-999 ? CL CL D 208 mLYS~D 127 84.47 128.31 22.36 83.87 127.57 22.66 84.33 130.38 21.03 85.05 131.04 20.31 84.43 128.87 21.02 83.25 128.26 20.24 2 0 16.12-999 ?-999 ?-999 ? CL CL D 208 mASP~D 128 83.46 130.93 21.89 83.02 130.25 22.48 84.27 133.21 22.65 84.60 134.31 22.20 83.19 132.38 21.93 81.84 132.66 22.59 2 0 17.12-999 ?-999 ?-999 ? CL CL D 208 mLYS~D 129 84.79 132.67 23.75 84.31 131.86 24.09 87.09 133.38 23.37 87.73 134.43 23.28 85.96 133.25 24.40 86.42 132.40 25.60 2 0 15.40-999 ?-999 ?-999 ? CL CL D 208 mPHE~D 130 87.30 132.32 22.59 86.67 131.57 22.77 88.15 133.41 20.53 89.06 134.17 20.27 88.33 132.28 21.55 88.31 130.91 20.84 3 0 12.08-999 ?-999 ?-999 ? CL CL D 208 mLEU~D 131 86.94 133.52 19.99 86.29 132.84 20.32 86.76 135.97 19.53 87.18 136.88 18.79 86.63 134.54 18.99 85.22 134.29 18.42 3 0 13.32-999 ?-999 ?-999 ? CL CL D 208 mASN~D 132 86.40 136.16 20.81 86.06 135.34 21.27 87.95 137.89 21.58 88.27 139.04 21.30 86.50 137.47 21.47 85.85 137.46 22.86 2 0 14.64-999 ?-999 ?-999 ? CL CL D 208 mCYH~D 133 88.82 136.97 21.99 88.40 136.09 22.24 90.81 137.62 20.70 91.56 138.59 20.59 90.25 137.23 22.05 90.97 135.99 22.55 2 0 11.49-999 ?-999 ?-999 ? CL CL D 208 mILE~D 134 90.44 136.86 19.68 89.86 136.08 19.92 90.43 138.56 17.95 91.24 139.34 17.46 90.88 137.15 18.32 90.39 136.07 17.31 3 0 10.00-999 ?-999 ?-999 ? CL CL D 208 mASN~D 135 89.19 138.92 18.25 88.64 138.21 18.69 89.37 141.36 18.82 89.60 142.47 18.35 88.72 140.27 17.95 87.18 140.34 18.03 2 0 13.44-999 ?-999 ?-999 ? CL CL D 208 mASP~D 136 89.68 141.05 20.07 89.44 140.12 20.34 91.79 142.29 20.54 92.34 143.33 20.89 90.34 142.03 20.94 90.23 141.60 22.42 2 0 13.76-999 ?-999 ?-999 ? CL CL D 208 mTHR~D 137 92.41 141.36 19.82 91.84 140.56 19.63 93.88 141.98 17.88 94.97 142.16 17.37 93.78 141.52 19.34 94.55 140.21 19.50 2 0 10.90-999 ?-999 ?-999 ? CL CL D 208 mALA~D 138 92.74 142.20 17.22 91.92 142.09 17.78 93.66 143.70 15.47 94.27 143.70 14.40 92.72 142.57 15.81 91.32 142.96 15.40 2 0 12.33-999 ?-999 ?-999 ? CL CL D 208 mSER~D 139 93.75 144.68 16.36 93.22 144.52 17.20 96.04 145.55 16.21 96.82 146.21 15.54 94.55 145.87 16.13 94.18 146.99 17.10 2 0 14.34-999 ?-999 ?-999 ? CL CL D 208 mCYH~D 140 96.44 144.56 17.01 95.72 144.15 17.56 98.31 143.78 15.65 99.43 144.10 15.26 97.85 144.14 17.04 98.07 142.90 17.89 2 0 11.73-999 ?-999 ?-999 ? CL CL D 208 mPHE~D 141 97.44 143.07 14.94 96.56 142.91 15.40 97.76 143.72 12.61 98.75 143.96 11.93 97.75 142.58 13.60 96.76 141.48 13.18 3 0 10.93-999 ?-999 ?-999 ? CL CL D 208 mLYS~D 142 96.66 144.46 12.56 95.98 144.25 13.27 97.54 146.54 11.71 98.21 146.90 10.76 96.49 145.47 11.54 95.07 146.06 11.59 2 0 14.59-999 ?-999 ?-999 ? CL CL D 208 mASP~D 143 97.71 146.98 12.96 97.15 146.51 13.64 100.05 147.74 12.86 100.78 148.61 12.41 98.63 148.07 13.27 98.58 148.46 14.77 2 0 16.11-999 ?-999 ?-999 ? CL CL D 208 mASN~D 144 100.45 146.47 12.97 99.74 145.84 13.29 102.02 145.56 11.25 103.10 145.09 10.92 101.82 146.09 12.65 102.32 145.12 13.70 2 0 14.53-999 ?-999 ?-999 ? CL CL D 208 mGLY~D 145 100.99 145.65 10.41 100.13 145.91 10.85 100.37 144.20 8.38 100.43 143.97 7.16 101.13 145.38 8.98-999.99-999.99-999.99 1 0 15.46-999 ?-999 ?-999 ? CL CL D 208 mALA~D 146 99.65 143.45 9.22 99.67 143.75 10.17 97.94 142.71 7.68 97.41 143.82 7.74 98.91 142.27 8.75 98.19 141.55 9.90 2 0 13.10-999 ?-999 ?-999 ? CL CL D 208 mLEU~D 147 97.75 141.86 6.68 98.26 141.01 6.79 95.52 141.51 5.71 94.50 142.15 5.44 96.89 142.14 5.55 97.51 141.56 4.28 3 0 15.59-999 ?-999 ?-999 ? CL CL D 208 mTHR^D 148 95.51 140.24 6.10 96.42 139.90 6.35 94.35 138.55 7.42 95.43 138.18 7.87 94.31 139.41 6.17 94.19 138.44 4.93 2 0 14.31-999 ?-999 ?-999 ? CL CL D 208 mLEU^D 149 93.17 138.26 7.98 92.40 138.69 7.50 91.79 136.51 9.02 90.67 136.99 8.99 93.01 137.40 9.16 92.84 138.24 10.44 3 0 11.76-999 ?-999 ?-999 ? CL CL D 208 mARG^D 150 92.00 135.20 8.95 92.97 134.94 8.95 91.02 133.28 10.04 92.13 132.96 10.50 90.91 134.26 8.88 90.91 133.51 7.55 2 0 12.46-999 ?-999 ?-999 ? CL CL D 208 mPHE^D 151 89.87 132.80 10.50 89.07 133.00 9.94 88.64 131.06 11.73 87.54 131.38 11.27 89.81 132.05 11.72 89.68 133.03 12.89 3 0 11.49-999 ?-999 ?-999 ? CL CL D 208 mGLY^D 152 88.85 129.87 12.28 89.78 129.72 12.63 88.31 127.57 12.85 89.37 127.55 13.47 87.78 128.88 12.34-999.99-999.99-999.99 1 0 13.53-999 ?-999 ?-999 ? CL CL D 208 mASN^D 153 87.59 126.49 12.60 86.74 126.68 12.10 88.17 124.18 11.86 87.45 124.24 10.85 88.01 125.14 13.02 87.00 124.52 13.97 2 0 14.58-999 ?-999 ?-999 ? CL CL D 208 mLEU~D 154 89.10 123.25 12.02 89.70 123.38 12.81 87.95 121.29 11.13 87.55 120.83 12.20 89.19 122.14 11.07 90.44 121.31 11.34 3 0 16.16-999 ?-999 ?-999 ? CL CL D 208 mLEU~D 155 87.33 121.11 9.98 87.72 121.64 9.22 86.55 118.78 9.63 85.76 117.89 9.95 86.18 120.24 9.82 85.35 120.67 8.61 3 0 19.87-999 ?-999 ?-999 ? CL CL D 208 mTHR~D 156 87.74 118.54 9.08 88.32 119.35 8.96 89.60 116.93 9.11 90.36 117.84 9.45 88.16 117.21 8.70 87.97 117.02 7.17 2 0 21.15-999 ?-999 ?-999 ? CL CL D 208 mGLY~D 157 89.97 115.65 9.07 89.22 115.00 8.92 91.62 114.76 10.67 90.74 114.71 11.52 91.34 115.25 9.26-999.99-999.99-999.99 1 0 20.94-999 ?-999 ?-999 ? CL CL D 208 mSER~D 158 92.89 114.42 10.90 93.48 114.53 10.11 93.43 115.03 13.27 93.67 114.75 14.44 93.35 113.94 12.21 94.74 113.32 12.03 2 0 20.39-999 ?-999 ?-999 ? CL CL D 208 mASN~D 159 93.29 116.29 12.86 93.22 116.40 11.87 91.85 118.07 13.80 91.71 119.22 14.20 93.23 117.40 13.81 94.35 118.39 13.51 2 0 16.91-999 ?-999 ?-999 ? CL CL D 208 mVAL~D 160 90.83 117.29 13.40 91.10 116.36 13.14 89.12 118.41 14.69 89.43 117.85 15.73 89.46 117.77 13.36 88.50 116.62 13.07 3 0 18.48-999 ?-999 ?-999 ? CL CL D 208 mGLY~D 161 88.51 119.59 14.67 88.32 119.92 13.75 89.17 121.37 16.32 88.81 122.36 16.95 88.16 120.30 15.90-999.99-999.99-999.99 1 0 16.93-999 ?-999 ?-999 ? CL CL D 208 mASN~D 162 90.46 121.19 15.99 90.69 120.34 15.53 90.95 123.59 15.75 90.32 123.66 14.68 91.41 122.22 16.33 92.82 121.91 15.80 2 0 13.32-999 ?-999 ?-999 ? CL CL D 208 mTYR^D 163 91.28 124.66 16.46 91.67 124.46 17.36 92.26 126.26 15.02 93.37 125.74 15.23 91.09 125.99 15.96 91.06 126.99 17.12 3 0 10.96-999 ?-999 ?-999 ? CL CL D 208 mLEU^D 164 92.01 127.05 13.98 91.08 127.41 13.95 92.97 128.87 12.68 91.90 129.45 12.48 93.01 127.37 12.98 92.69 126.61 11.69 3 0 9.63-999 ?-999 ?-999 ? CL CL D 208 mLEU^D 165 94.14 129.49 12.65 94.93 128.90 12.84 95.19 131.06 11.19 96.28 130.46 11.18 94.25 130.90 12.36 94.79 131.64 13.59 3 0 7.70-999 ?-999 ?-999 ? CL CL D 208 mGLY^D 166 94.76 131.84 10.20 93.82 132.15 10.31 95.75 133.72 8.98 94.75 134.41 9.04 95.62 132.21 9.07-999.99-999.99-999.99 1 0 9.40-999 ?-999 ?-999 ? CL CL D 208 mVAL^D 167 96.97 134.23 8.87 97.70 133.54 8.87 98.19 135.97 7.65 99.28 135.40 7.62 97.21 135.67 8.77 97.82 136.29 10.06 3 0 9.62-999 ?-999 ?-999 ? CL CL D 208 mGLY^D 168 97.80 136.89 6.75 96.89 137.27 6.93 99.49 138.49 5.97 99.06 139.38 6.70 98.63 137.29 5.62-999.99-999.99-999.99 1 0 12.85-999 ?-999 ?-999 ? CL CL D 208 mTYR^D 169 100.71 138.51 5.45 100.90 137.75 4.82 102.44 139.99 4.54 102.65 139.20 3.61 101.67 139.55 5.78 102.70 139.04 6.80 3 0 13.80-999 ?-999 ?-999 ? CL CL D 208 mPRO~D 170 102.86 141.25 4.52 102.60 141.78 5.32 105.12 141.43 3.52 105.83 141.50 2.52 103.65 141.78 3.43 103.47 143.28 3.61 3 0 16.68-999 ?-999 ?-999 ? CL CL D 207 mSER~D 171 105.57 141.08 4.72 104.85 140.97 5.41 107.21 140.19 6.34 106.35 140.17 7.23 106.99 140.87 5.00 107.72 142.21 5.05 2 0 14.97-999 ?-999 ?-999 ? CL CL D 207 mMETD 172 108.41 139.67 6.53 109.05 139.77 5.76 108.92 140.03 8.91 108.68 139.71 10.10 108.73 139.03 7.77 109.94 138.12 7.56 2 0 13.98-999 ?-999 ?-999 ? CL CL D 207 mGLU~D 173 109.31 141.25 8.57 109.55 141.35 7.60 107.99 142.52 10.18 107.88 142.62 11.40 109.36 142.33 9.54 109.83 143.63 8.86 2 0 15.87-999 ?-999 ?-999 ? CL CL D 208 mALA~D 174 106.96 142.54 9.34 107.19 142.42 8.38 105.23 141.58 10.77 104.52 141.77 11.74 105.61 142.74 9.83 104.60 142.86 8.65 2 0 14.04-999 ?-999 ?-999 ? CL CL D 208 mILE~D 175 105.72 140.39 10.48 106.24 140.35 9.63 106.19 139.48 12.73 105.56 139.35 13.77 105.49 139.24 11.38 105.97 137.90 10.74 3 0 10.75-999 ?-999 ?-999 ? CL CL D 208 mGLU~D 176 107.46 139.88 12.70 107.84 139.92 11.78 107.46 141.27 14.78 107.25 141.09 15.96 108.19 140.23 13.93 109.61 140.74 13.62 2 0 11.97-999 ?-999 ?-999 ? CL CL D 208 mLYS~D 177 107.06 142.37 14.15 107.25 142.38 13.17 105.06 143.04 15.46 104.70 143.40 16.58 106.41 143.46 14.88 106.26 144.72 13.99 2 0 13.05-999 ?-999 ?-999 ? CL CL D 208 mTHR~D 178 104.31 142.25 14.70 104.70 142.06 13.79 103.22 140.87 16.42 102.50 141.04 17.41 103.04 141.72 15.16 102.38 140.86 14.06 2 0 10.02-999 ?-999 ?-999 ? CL CL D 208 mTYR~D 179 104.19 139.95 16.38 104.75 139.96 15.55 105.01 139.74 18.70 104.70 139.40 19.83 104.38 139.04 17.50 105.11 137.74 17.06 3 0 -7.97-999 ?-999 ?-999 ? CL CL D 208s mASP~D 180 105.83 140.76 18.46 106.05 140.89 17.49 105.18 142.18 20.36 105.19 142.09 21.59 106.34 141.62 19.54 107.20 142.78 18.99 2 0 11.39-999 ?-999 ?-999 ? CL CL D 208 mGLU~D 181 104.19 142.75 19.68 104.30 142.76 18.69 102.12 142.22 20.93 101.70 142.29 22.08 103.03 143.31 20.38 102.23 144.27 19.48 2 0 11.60-999 ?-999 ?-999 ? CL CL D 208 mLEU~D 182 101.83 141.21 20.12 102.36 141.20 19.28 101.12 139.45 21.74 100.25 139.28 22.58 100.81 140.21 20.46 100.63 139.23 19.29 3 0 8.26-999 ?-999 ?-999 ? CL CL D 208 mLEU~D 183 102.37 139.02 21.89 102.98 139.26 21.14 102.62 139.02 24.37 102.40 138.43 25.41 102.80 138.25 23.07 104.28 137.86 22.93 3 0 8.52-999 ?-999 ?-999 ? CL CL D 208 mALA~D 184 102.71 140.35 24.28 102.88 140.68 23.36 101.18 141.89 25.55 101.09 143.01 26.01 102.56 141.23 25.45 103.64 142.32 25.41 2 0 12.09-999 ?-999 ?-999 ? CL CL D 208 mHIS~D 185 100.13 141.20 25.14 100.37 140.27 24.87 97.88 140.90 25.96 97.94 139.68 25.89 98.76 141.76 25.07 98.26 141.73 23.61 3 0 11.94-999 ?-999 ?-999 ? CL CL D 208 mSER~D 186 97.06 141.52 26.80 97.00 142.51 26.65 95.42 139.69 27.28 95.38 138.60 27.83 96.31 140.79 27.83 95.45 141.75 28.65 2 0 13.63-999 ?-999 ?-999 ? CL CL D 208 mSER~D 187 94.71 139.99 26.19 94.82 140.93 25.89 94.60 137.75 25.00 94.05 136.66 25.00 93.85 138.99 25.52 93.07 139.60 24.36 2 0 11.82-999 ?-999 ?-999 ? CL CL D 208 mTYR~D 188 95.84 137.93 24.57 96.14 138.88 24.54 97.01 135.94 25.42 96.77 134.73 25.42 96.68 136.81 24.18 97.94 137.29 23.45 3 0 8.47-999 ?-999 ?-999 ? CL CL D 208 mLYS~D 189 97.54 136.58 26.46 97.70 137.55 26.29 96.63 135.16 28.28 96.77 134.07 28.85 97.85 135.92 27.74 98.35 136.96 28.76 2 0 10.92-999 ?-999 ?-999 ? CL CL D 208 mGLU~D 190 95.45 135.74 28.08 95.51 136.64 27.65 93.86 133.87 27.61 93.38 132.87 28.14 94.18 135.10 28.44 93.02 136.08 28.28 2 0 12.51-999 ?-999 ?-999 ? CL CL D 208 mLEU~D 191 94.10 133.96 26.31 94.44 134.85 26.02 94.72 131.65 25.81 94.28 130.50 25.75 93.86 132.84 25.42 94.14 133.25 23.96 3 0 9.84-999 ?-999 ?-999 ? CL CL D 208 mMETD 192 95.94 131.94 26.26 96.14 132.92 26.31 96.56 130.19 27.93 97.29 129.31 28.35 96.89 130.90 26.63 98.29 131.50 26.74 2 0 9.68-999 ?-999 ?-999 ? CL CL D 208 mTHR~D 193 95.47 130.59 28.58 95.02 131.39 28.19 93.98 128.80 29.39 93.74 127.92 30.21 95.00 129.88 29.75 94.37 130.86 30.76 2 0 13.39-999 ?-999 ?-999 ? CL CL D 208 mPHE~D 194 93.40 128.87 28.19 93.69 129.65 27.65 92.64 127.29 26.32 91.79 126.55 25.84 92.43 127.85 27.73 91.00 128.39 27.84 3 0 13.40-999 ?-999 ?-999 ? CL CL D 208 mALA~D 195 93.74 127.64 25.67 94.32 128.28 26.18 95.54 126.81 24.30 96.35 127.59 24.81 94.06 127.13 24.33 93.73 128.16 23.29 2 0 10.40-999 ?-999 ?-999 ? CL CL D 208 mLYS^D 196 95.90 125.67 23.71 95.13 125.11 23.41 97.61 125.25 22.06 96.96 124.54 21.29 97.30 125.29 23.55 97.63 123.94 24.21 2 0 9.76-999 ?-999 ?-999 ? CL CL D 208 mVAL^D 197 98.57 126.07 21.64 98.93 126.67 22.35 99.79 124.79 20.10 100.63 124.49 20.95 99.02 126.07 20.25 99.92 127.29 19.93 3 0 7.08-999 ?-999 ?-999 ? CL CL D 208 mASN^D 198 99.46 124.02 19.06 98.71 124.37 18.51 100.89 122.79 17.46 101.48 121.79 17.09 100.14 122.77 18.78 99.16 121.60 18.87 2 0 9.88-999 ?-999 ?-999 ? CL CL D 208 mMETD 199 100.87 123.92 16.76 100.33 124.65 17.19 101.55 125.54 15.01 100.53 126.23 15.13 101.58 124.07 15.49 100.97 123.13 14.44 2 0 8.93-999 ?-999 ?-999 ? CL CL D 208 mARG^D 200 102.69 126.02 14.50 103.48 125.41 14.61 103.76 127.31 12.71 104.85 126.82 12.88 102.75 127.33 13.84 103.12 128.40 14.85 2 0 -7.07-999 ?-999 ?-999 ? CL CL D 208s mASN^D 201 103.41 127.84 11.56 102.52 128.30 11.55 104.14 128.88 9.45 103.05 129.49 9.39 104.31 127.72 10.41 104.06 126.40 9.67 2 0 9.75-999 ?-999 ?-999 ? CL CL D 208 mILE^D 202 105.21 129.17 8.70 105.99 128.58 8.88 105.08 129.62 6.32 105.70 128.57 6.03 105.22 130.25 7.71 106.55 131.08 7.74 3 0 9.43-999 ?-999 ?-999 ? CL CL D 207 mILE^D 203 104.25 130.22 5.48 103.68 130.93 5.90 104.67 131.05 3.24 104.27 132.20 3.47 104.18 129.88 4.07 102.76 129.56 3.64 3 0 8.00-999 ?-999 ?-999 ? CL CL D 207 mLYS^D 204 105.55 130.76 2.28 105.80 129.80 2.23 105.33 131.73 0.07 105.43 130.75 -0.66 106.09 131.79 1.38 107.59 131.56 1.14 2 0 6.86-999 ?-999 ?-999 ? CL CL D 207 mILE^D 205 104.56 132.79 -0.22 104.59 133.55 0.42 104.62 132.73 -2.64 105.61 133.46 -2.72 103.74 132.77 -1.42 102.78 133.92 -1.48 3 0 9.58-999 ?-999 ?-999 ? CL CL D 207 mLEU~D 206 104.32 131.81 -3.55 103.54 131.23 -3.30 104.24 132.28 -5.93 102.98 132.32 -5.84 105.08 131.68 -4.79 105.43 130.21 -5.11 3 0 9.50-999 ?-999 ?-999 ? CL CL D 207 mSER~E 2 124.96 77.84 22.02 124.94 77.55 21.07 126.27 79.09 23.81 126.56 79.33 24.99 124.99 78.29 23.46 124.82 77.09 24.41 2 0 26.85-999 ?-999 ?-999 ? CL CL E 207 mASN~E 3 127.03 79.49 22.78 126.85 78.99 21.93 127.36 81.96 22.90 127.97 82.96 23.32 128.03 80.56 22.91 129.11 80.48 21.80 2 0 24.28-999 ?-999 ?-999 ? CL CL E 207 mILE~E 4 126.10 82.01 22.42 125.77 81.15 22.04 124.83 83.50 23.90 124.53 82.57 24.64 125.29 83.24 22.45 124.04 83.17 21.50 3 0 21.83-999 ?-999 ?-999 ? CL CL E 207 mASN^E 5 124.84 84.77 24.29 125.26 85.39 23.63 123.10 86.11 25.25 122.73 86.27 24.08 124.28 85.21 25.56 125.33 85.96 26.37 2 0 21.37-999 ?-999 ?-999 ? CL CL E 207 mTYR^E 6 122.48 86.67 26.30 122.87 86.42 27.18 121.40 88.76 27.00 122.08 88.75 28.05 121.33 87.55 26.12 120.02 86.81 26.38 3 0 20.50-999 ?-999 ?-999 ? CL CL E 207 mVAL^E 7 120.70 89.79 26.55 120.19 89.59 25.71 119.23 91.60 27.24 118.58 91.65 26.22 120.65 91.09 27.20 121.53 92.08 26.44 3 0 18.73-999 ?-999 ?-999 ? CL CL E 207 mILE^E 8 118.73 91.95 28.43 119.34 91.77 29.20 117.58 94.01 28.85 118.37 94.39 29.72 117.39 92.54 28.56 116.52 91.94 29.69 3 0 20.26-999 ?-999 ?-999 ? CL CL E 207 mLEU^E 9 116.85 94.84 28.13 116.25 94.40 27.45 115.55 96.78 28.68 114.61 96.54 27.96 116.93 96.27 28.32 117.44 96.94 27.05 3 0 18.57-999 ?-999 ?-999 ? CL CL E 207 mTHR^E 10 115.43 97.48 29.81 116.27 97.61 30.33 114.25 99.50 30.38 115.25 100.00 30.89 114.14 98.00 30.23 113.68 97.40 31.57 2 0 21.10-999 ?-999 ?-999 ? CL CL E 207 mVAL^E 11 113.22 100.21 29.92 112.49 99.65 29.53 111.94 102.13 30.73 110.82 101.65 30.47 113.19 101.67 29.98 113.23 102.29 28.56 3 0 20.90-999 ?-999 ?-999 ? CL CL E 207 mALA^E 12 112.12 103.04 31.69 113.08 103.32 31.80 111.11 105.07 32.61 112.21 105.64 32.66 111.00 103.56 32.49 110.97 102.94 33.87 2 0 24.11-999 ?-999 ?-999 ? CL CL E 207 mSER^E 13 109.96 105.73 32.62 109.15 105.20 32.36 109.82 107.18 34.50 109.08 106.41 35.09 109.93 107.13 32.99 108.79 107.88 32.32 2 0 25.45-999 ?-999 ?-999 ? CL CL E 207 mVAL^E 14 110.58 108.06 35.13 111.10 108.67 34.53 110.64 109.53 37.05 111.41 110.33 36.53 110.62 108.10 36.58 111.88 107.39 37.11 3 0 27.66-999 ?-999 ?-999 ? CL CL E 207 mASP~E 15 109.80 109.86 38.02 109.22 109.11 38.33 111.15 111.61 38.98 111.87 110.80 39.57 109.75 111.22 38.56 108.81 111.28 39.78 2 0 30.31-999 ?-999 ?-999 ? CL CL E 207 mPHE~E 16 111.56 112.85 38.67 110.86 113.43 38.26 113.30 113.13 40.44 114.43 112.74 40.78 112.93 113.26 38.95 113.21 114.68 38.48 3 0 29.35-999 ?-999 ?-999 ? CL CL E 207 mSER~E 17 112.36 113.45 41.33 111.48 113.72 40.93 112.94 111.99 43.28 113.71 111.82 44.23 112.62 113.40 42.77 111.44 113.99 43.56 2 0 32.61-999 ?-999 ?-999 ? CL CL E 207 mTYR~E 18 112.37 110.98 42.63 111.84 111.25 41.83 113.82 108.96 42.60 114.17 107.87 43.03 112.52 109.59 43.08 111.31 108.78 42.61 3 0 32.02-999 ?-999 ?-999 ? CL CL E 207 mARG~E 19 114.54 109.66 41.73 114.20 110.59 41.58 116.76 108.48 41.96 117.29 107.41 41.69 115.72 109.11 41.05 116.43 110.20 40.24 2 0 28.66-999 ?-999 ?-999 ? CL CL E 207 mGLU~E 20 117.09 109.19 43.01 116.57 110.04 43.13 117.71 107.51 44.73 118.48 106.57 44.94 118.15 108.72 43.91 118.58 109.84 44.87 2 0 30.20-999 ?-999 ?-999 ? CL CL E 207 mTHR~E 21 116.47 107.54 45.20 115.99 108.41 45.05 115.80 105.16 44.97 116.13 104.03 45.37 115.89 106.39 45.88 114.48 106.68 46.35 2 0 32.58-999 ?-999 ?-999 ? CL CL E 207 mMETE 22 115.34 105.39 43.76 115.05 106.34 43.61 116.59 103.65 42.60 116.63 102.43 42.64 115.26 104.38 42.74 114.89 105.09 41.44 2 0 29.89-999 ?-999 ?-999 ? CL CL E 207 mALA~E 23 117.68 104.41 42.44 117.47 105.39 42.43 119.41 102.99 43.46 120.03 101.94 43.30 119.04 103.88 42.31 120.03 105.04 42.24 2 0 27.99-999 ?-999 ?-999 ? CL CL E 207 mARG~E 24 119.06 103.43 44.65 118.56 104.30 44.64 118.62 101.39 45.90 119.19 100.33 46.16 119.39 102.69 45.87 119.07 103.49 47.15 2 0 31.29-999 ?-999 ?-999 ? CL CL E 207 mLEU~E 25 117.32 101.46 45.62 116.98 102.38 45.47 116.98 99.31 44.44 116.95 98.10 44.62 116.51 100.25 45.56 115.03 100.59 45.39 3 0 32.14-999 ?-999 ?-999 ? CL CL E 207 mMETE 26 117.43 99.86 43.31 117.43 100.86 43.32 119.15 98.26 42.39 119.31 97.20 41.81 117.86 99.04 42.17 118.05 99.90 40.90 2 0 28.69-999 ?-999 ?-999 ? CL CL E 207 mSER~E 27 120.09 98.78 43.16 119.91 99.70 43.51 120.96 96.87 44.40 121.56 95.80 44.32 121.30 98.01 43.44 122.44 98.87 43.95 2 0 28.99-999 ?-999 ?-999 ? CL CL E 207 mSER~E 28 119.97 97.06 45.28 119.62 98.00 45.32 118.92 94.86 45.19 119.30 93.70 45.28 119.49 95.95 46.10 118.41 96.42 47.09 2 0 32.42-999 ?-999 ?-999 ? CL CL E 207 mTYR~E 29 118.00 95.26 44.32 117.79 96.24 44.38 118.37 93.65 42.45 118.15 92.50 42.05 117.36 94.35 43.38 116.30 95.09 42.58 3 0 31.08-999 ?-999 ?-999 ? CL CL E 207 mSER~E 30 119.47 94.34 42.10 119.47 95.29 42.41 121.26 92.63 42.06 121.51 91.58 41.49 120.56 93.75 41.31 121.61 94.78 40.93 2 0 28.41-999 ?-999 ?-999 ? CL CL E 207 mLYS~E 31 121.60 92.88 43.33 121.40 93.81 43.64 121.36 90.58 44.09 121.87 89.50 43.81 122.21 91.85 44.18 122.32 92.32 45.64 2 0 31.29-999 ?-999 ?-999 ? CL CL E 207 mASP~E 32 120.06 90.74 44.30 119.80 91.70 44.47 119.16 88.87 42.94 119.17 87.64 42.94 119.09 89.64 44.28 117.67 90.19 44.55 2 0 33.04-999 ?-999 ?-999 ? CL CL E 207 mLEU~E 33 119.24 89.58 41.82 119.22 90.57 41.97 120.65 88.23 40.28 120.69 87.12 39.74 119.33 88.93 40.50 119.11 89.95 39.37 3 0 30.14-999 ?-999 ?-999 ? CL CL E 207 mILE~E 34 121.75 88.88 40.66 121.58 89.77 41.07 123.19 87.00 41.31 123.62 85.97 40.81 123.07 88.29 40.48 124.20 89.29 40.78 3 0 29.52-999 ?-999 ?-999 ? CL CL E 207 mASP~E 35 122.76 87.08 42.58 122.33 87.95 42.80 121.94 84.83 43.30 122.32 83.67 43.43 122.93 85.97 43.53 122.79 86.47 44.99 2 0 33.31-999 ?-999 ?-999 ? CL CL E 207 mASN~E 36 120.69 85.14 42.98 120.56 86.12 42.81 119.08 83.80 41.52 118.49 82.75 41.31 119.62 84.12 42.90 118.43 84.54 43.75 2 0 34.54-999 ?-999 ?-999 ? CL CL E 207 mALA~E 37 119.22 84.73 40.58 119.66 85.57 40.89 119.89 84.10 38.29 119.63 83.66 37.17 118.75 84.50 39.22 118.03 85.73 38.69 2 0 31.78-999 ?-999 ?-999 ? CL CL E 207 mGLY~E 38 121.13 84.21 38.75 121.19 84.55 39.69 122.68 84.96 36.93 123.44 84.70 36.00 122.29 83.88 37.93-999.99-999.99-999.99 1 0 30.32-999 ?-999 ?-999 ? CL CL E 207 mALA~E 39 122.19 86.17 37.15 121.59 86.26 37.94 124.02 87.50 36.30 124.63 87.48 37.37 122.53 87.27 36.25 121.79 88.54 36.63 2 0 26.86-999 ?-999 ?-999 ? CL CL E 207 mLYS~E 40 124.61 87.70 35.13 123.97 87.71 34.36 126.40 89.37 34.98 127.26 89.78 34.21 126.04 87.89 35.00 126.53 87.20 33.71 2 0 24.94-999 ?-999 ?-999 ? CL CL E 207 mGLY~E 41 125.74 90.16 35.83 125.13 89.66 36.45 124.64 92.38 35.49 123.79 91.87 34.77 125.91 91.62 35.85-999.99-999.99-999.99 1 0 23.47-999 ?-999 ?-999 ? CL CL E 207 mTHR^E 42 124.52 93.60 36.01 125.19 93.81 36.72 124.07 95.93 35.45 125.14 96.19 35.96 123.49 94.54 35.59 122.28 94.62 36.55 2 0 22.28-999 ?-999 ?-999 ? CL CL E 207 mARG^E 43 123.36 96.80 34.75 122.57 96.39 34.29 122.45 99.07 34.76 121.41 98.72 34.20 123.72 98.23 34.66 124.44 98.55 33.36 2 0 20.09-999 ?-999 ?-999 ? CL CL E 207 mPHE^E 44 122.54 100.18 35.49 123.46 100.34 35.86 121.89 102.48 35.46 122.92 102.92 35.99 121.42 101.07 35.72 120.96 100.97 37.17 3 0 21.17-999 ?-999 ?-999 ? CL CL E 207 mGLY^E 45 121.13 103.22 34.68 120.29 102.79 34.36 120.41 105.38 33.79 119.32 104.85 33.62 121.55 104.58 34.34-999.99-999.99-999.99 1 0 19.67-999 ?-999 ?-999 ? CL CL E 207 mSER^E 46 120.66 106.66 33.55 121.56 106.97 33.86 120.11 107.70 31.43 121.32 107.76 31.11 119.69 107.52 32.88 119.62 108.89 33.54 2 0 19.44-999 ?-999 ?-999 ? CL CL E 207 mILE^E 47 119.12 107.76 30.55 118.22 107.65 30.96 119.59 109.49 28.93 118.68 110.28 29.10 119.35 107.99 29.13 118.12 107.51 28.31 3 0 16.59-999 ?-999 ?-999 ? CL CL E 207 mGLY~E 48 120.82 109.87 28.58 121.44 109.12 28.39 120.78 112.03 27.20 120.72 113.25 27.18 121.19 111.29 28.48-999.99-999.99-999.99 1 0 16.32-999 ?-999 ?-999 ? CL CL E 207 mTHR~E 49 120.50 111.30 26.12 120.53 110.31 26.27 118.97 111.32 24.11 118.42 110.30 24.52 120.19 111.93 24.83 121.37 111.86 23.82 2 0 14.63-999 ?-999 ?-999 ? CL CL E 207 mGLY~E 50 118.59 111.96 23.01 119.09 112.81 22.84 116.17 111.75 22.74 116.05 112.50 23.71 117.53 111.45 22.16-999.99-999.99-999.99 1 0 14.77-999 ?-999 ?-999 ? CL CL E 207 mASP~E 51 115.16 111.13 22.16 115.45 110.49 21.44 113.38 110.78 23.89 112.38 111.20 24.46 113.75 111.36 22.52 112.83 110.69 21.50 2 0 17.87-999 ?-999 ?-999 ? CL CL E 207 mHIS~E 52 114.16 109.82 24.39 114.88 109.52 23.77 114.87 109.92 26.77 115.06 109.33 27.83 113.96 109.29 25.73 114.18 107.77 25.75 3 0 18.40-999 ?-999 ?-999 ? CL CL E 207 mALA~E 53 115.44 111.10 26.48 115.22 111.44 25.57 115.55 111.89 28.76 114.41 112.28 28.78 116.30 111.80 27.45 116.63 113.20 26.96 2 0 18.60-999 ?-999 ?-999 ? CL CL E 207 mGLY~E 54 116.19 111.48 29.85 117.11 111.13 29.69 114.78 110.32 31.60 114.35 110.22 32.75 115.54 111.55 31.16-999.99-999.99-999.99 1 0 21.44-999 ?-999 ?-999 ? CL CL E 207 mSER~E 55 114.57 109.37 30.71 114.74 109.63 29.76 115.32 107.35 31.83 116.48 107.67 31.60 114.14 108.07 31.15 113.63 107.24 29.95 2 0 21.36-999 ?-999 ?-999 ? CL CL E 207 mLEU^E 56 115.01 106.38 32.68 114.03 106.30 32.87 116.00 104.18 32.51 114.97 103.82 31.93 116.02 105.51 33.28 115.75 105.31 34.77 3 0 21.44-999 ?-999 ?-999 ? CL CL E 207 mILE^E 57 117.15 103.50 32.47 117.89 103.93 32.98 117.97 101.21 32.63 118.86 101.53 33.41 117.29 102.25 31.74 118.09 102.46 30.45 3 0 19.44-999 ?-999 ?-999 ? CL CL E 207 mPHE^E 58 117.51 99.97 32.53 116.74 99.87 31.90 118.50 97.79 32.29 117.69 97.39 31.43 118.08 98.88 33.27 117.06 98.31 34.25 3 0 20.81-999 ?-999 ?-999 ? CL CL E 207 mILE^E 59 119.74 97.33 32.43 120.25 97.74 33.18 120.72 95.06 32.36 121.44 95.19 33.37 120.30 96.31 31.54 121.50 96.87 30.73 3 0 19.16-999 ?-999 ?-999 ? CL CL E 207 mGLN^E 60 120.25 93.88 31.95 119.67 93.95 31.13 121.27 91.67 31.66 120.86 91.55 30.49 120.56 92.60 32.63 119.30 91.90 33.14 2 0 21.62-999 ?-999 ?-999 ? CL CL E 207 mPHE^E 61 122.31 91.01 32.15 122.54 91.21 33.10 122.81 88.62 31.79 122.97 88.32 32.97 123.05 90.06 31.33 124.52 90.42 31.37 3 0 21.34-999 ?-999 ?-999 ? CL CL E 207 mTYR^E 62 122.42 87.73 30.87 122.27 88.14 29.97 122.94 85.44 30.12 123.04 85.81 28.96 122.22 86.30 31.16 120.71 85.92 31.20 3 0 24.04-999 ?-999 ?-999 ? CL CL E 207 mASP~E 63 123.45 84.30 30.55 123.40 84.17 31.54 122.94 82.58 28.87 123.17 82.13 27.75 124.02 83.34 29.63 124.90 82.35 30.39 2 0 25.03-999 ?-999 ?-999 ? CL CL E 207 mASP~E 64 121.77 82.45 29.49 121.72 82.93 30.37 119.36 82.34 29.32 119.29 83.03 30.32 120.66 81.68 28.96 120.68 80.29 29.56 2 0 26.86-999 ?-999 ?-999 ? CL CL E 207 mLEU~E 65 118.32 82.12 28.53 118.53 81.56 27.73 116.38 82.07 30.12 115.50 82.68 30.72 117.00 82.67 28.84 116.04 82.52 27.64 3 0 27.33-999 ?-999 ?-999 ? CL CL E 207 mTHR~E 66 116.82 80.88 30.53 117.46 80.44 29.91 116.75 81.27 32.93 115.98 81.46 33.87 116.39 80.32 31.81 117.04 79.00 32.09 2 0 30.85-999 ?-999 ?-999 ? CL CL E 207 mGLY~E 67 117.93 81.87 32.82 118.50 81.53 32.08 117.23 83.98 33.86 116.80 84.28 34.97 118.33 82.94 33.72-999.99-999.99-999.99 1 0 29.25-999 ?-999 ?-999 ? CL CL E 207 mTYR~E 68 116.76 84.50 32.73 117.14 84.12 31.89 114.43 85.04 33.34 113.74 85.77 34.06 115.75 85.56 32.76 115.56 86.22 31.36 3 0 27.92-999 ?-999 ?-999 ? CL CL E 207 mGLN~E 69 114.09 83.78 33.08 114.71 83.30 32.46 113.00 83.08 35.18 112.00 83.24 35.88 112.90 83.19 33.66 112.63 81.81 33.06 2 0 28.57-999 ?-999 ?-999 ? CL CL A 207 mLYS~E 70 114.20 82.80 35.71 114.92 82.62 35.03 114.28 84.19 37.68 113.74 84.41 38.78 114.39 82.77 37.16 115.74 82.12 37.55 2 0 31.34-999 ?-999 ?-999 ? CL CL A 207 mALA~E 71 114.77 85.16 36.90 115.23 84.83 36.08 113.19 86.95 37.40 112.81 87.60 38.36 114.64 86.57 37.24 115.28 87.43 36.17 2 0 30.72-999 ?-999 ?-999 ? CL CL E 207 mLEU~E 72 112.36 86.53 36.45 112.79 86.02 35.71 110.34 86.24 37.84 109.46 86.86 38.43 110.93 86.80 36.54 110.15 86.21 35.35 3 0 27.11-999 ?-999 ?-999 ? CL CL A 207 mGLU~E 73 110.81 85.07 38.26 111.49 84.66 37.66 110.82 85.25 40.75 110.13 85.31 41.76 110.35 84.46 39.51 110.83 83.00 39.60 2 0 28.63-999 ?-999 ?-999 ? CL CL A 207 mILE~E 74 112.00 85.85 40.66 112.51 85.67 39.81 111.63 87.97 41.87 111.33 88.38 42.97 112.49 86.71 41.73 113.97 87.11 41.55 3 0 31.12-999 ?-999 ?-999 ? CL CL A 207 mGLN~E 75 111.21 88.56 40.75 111.51 88.11 39.91 109.16 89.63 41.65 108.93 90.41 42.58 110.39 89.78 40.79 109.89 90.15 39.40 2 0 28.53-999 ?-999 ?-999 ? CL CL A 207 mSER~E 76 108.35 88.63 41.31 108.69 88.09 40.54 107.25 88.28 43.52 106.32 88.64 44.26 107.08 88.36 42.00 106.49 87.06 41.48 2 0 26.88-999 ?-999 ?-999 ? CL CL A 207 mLYS~E 77 108.41 87.81 43.97 109.04 87.55 43.24 109.38 88.93 46.04 109.40 89.06 47.27 108.74 87.68 45.40 109.73 86.52 45.63 2 0 30.48-999 ?-999 ?-999 ? CL CL A 207 mSER~E 78 109.92 89.83 45.22 109.71 89.70 44.25 109.97 92.12 46.27 109.15 92.70 45.56 110.77 90.93 45.74 111.77 91.40 44.68 2 0 31.92-999 ?-999 ?-999 ? CL CL A 207 mSER~E 79 110.25 92.47 47.53 110.91 91.86 47.97 110.16 94.90 47.54 109.38 95.82 47.28 109.66 93.63 48.19 110.06 93.68 49.67 2 0 32.92-999 ?-999 ?-999 ? CL CL A 207 mVAL~E 80 111.47 94.95 47.29 111.97 94.15 47.63 111.35 96.40 45.28 110.99 97.56 45.03 112.11 96.06 46.58 113.58 95.70 46.24 3 0 33.74-999 ?-999 ?-999 ? CL CL A 207 mPHE~E 81 111.09 95.37 44.48 111.44 94.49 44.80 108.92 96.02 43.48 108.44 96.92 42.78 110.36 95.55 43.24 110.37 94.25 42.43 3 0 30.19-999 ?-999 ?-999 ? CL CL A 207 mLYS~E 82 108.25 95.40 44.45 108.77 94.66 44.89 106.82 97.27 45.15 105.93 97.99 44.66 106.89 95.77 44.82 106.45 94.90 46.01 2 0 28.80-999 ?-999 ?-999 ? CL CL A 207 mGLU~E 83 107.76 97.73 45.97 108.43 97.03 46.23 107.91 100.12 45.29 107.25 101.16 45.29 107.81 99.12 46.44 109.00 99.29 47.38 2 0 31.21-999 ?-999 ?-999 ? CL CL A 207 mILE~E 84 108.75 99.79 44.32 109.25 98.94 44.47 107.61 100.74 42.38 107.17 101.83 42.01 108.93 100.64 43.15 110.09 100.10 42.28 3 0 30.15-999 ?-999 ?-999 ? CL CL A 207 mMETE 85 106.95 99.60 42.18 107.41 98.80 42.57 104.57 100.27 42.22 103.77 101.00 41.63 105.67 99.54 41.47 105.24 98.09 41.27 2 0 26.45-999 ?-999 ?-999 ? CL CL A 207 mASP~E 86 104.54 100.05 43.53 105.26 99.43 43.85 103.73 102.17 44.59 102.79 102.86 45.02 103.55 100.66 44.42 103.62 100.00 45.82 2 0 27.52-999 ?-999 ?-999 ? CL CL A 207 mSER~E 87 104.92 102.67 44.26 105.56 102.00 43.90 104.43 104.98 43.50 104.16 106.13 43.83 105.24 104.09 44.44 106.75 104.35 44.26 2 0 29.80-999 ?-999 ?-999 ? CL CL A 207 mGLY~E 88 104.04 104.45 42.33 104.24 103.47 42.23 104.36 106.26 40.72 103.94 107.18 40.03 103.39 105.25 41.31-999.99-999.99-999.99 1 0 27.16-999 ?-999 ?-999 ? CL CL A 207 mLYS~E 89 105.65 106.09 40.99 105.85 105.26 41.52 107.54 106.49 39.42 108.36 107.23 38.87 106.69 107.02 40.57 107.61 107.33 41.75 2 0 29.67-999 ?-999 ?-999 ? CL CL A 207 mALA^E 90 107.35 105.22 39.07 106.66 104.75 39.62 107.12 103.90 37.02 106.22 103.18 37.43 108.09 104.57 37.99 109.03 103.53 38.55 2 0 28.08-999 ?-999 ?-999 ? CL CL A 207 mASN^E 91 107.31 104.14 35.72 108.08 104.77 35.54 107.33 102.91 33.56 107.89 103.60 32.70 106.48 103.55 34.67 105.56 104.61 34.10 2 0 24.86-999 ?-999 ?-999 ? CL CL A 207 mILE^E 92 107.42 101.58 33.60 106.97 101.16 34.39 107.29 100.92 31.33 106.14 100.53 31.34 108.10 100.82 32.58 108.13 99.34 32.95 3 0 24.18-999 ?-999 ?-999 ? CL CL A 207 mTYR^E 93 107.88 101.45 30.26 108.83 101.72 30.39 107.75 100.85 27.82 107.16 100.81 26.75 107.12 101.59 29.00 106.85 103.08 28.68 3 0 22.61-999 ?-999 ?-999 ? CL CL A 207 mLEU^E 94 108.93 100.26 28.03 109.30 100.38 28.95 110.53 98.49 27.60 111.28 98.81 28.54 109.60 99.52 26.97 110.36 100.49 26.08 3 0 22.35-999 ?-999 ?-999 ? CL CL E 207 mARG^E 95 110.46 97.25 27.10 109.68 97.10 26.50 111.70 95.29 26.23 110.76 94.75 25.63 111.45 96.21 27.43 111.00 95.35 28.62 2 0 21.96-999 ?-999 ?-999 ? CL CL E 207 mASN^E 96 112.97 95.08 25.91 113.65 95.58 26.45 114.53 93.35 25.14 115.33 93.69 26.03 113.29 94.17 24.84 113.46 94.92 23.53 2 0 20.13-999 ?-999 ?-999 ? CL CL E 207 mILE^E 97 114.67 92.26 24.41 113.96 92.16 23.70 116.64 91.30 23.37 116.15 91.36 22.23 115.73 91.30 24.60 115.16 89.87 24.78 3 0 19.90-999 ?-999 ?-999 ? CL CL E 207 mSER^E 98 117.94 91.21 23.62 118.18 91.20 24.59 119.87 89.94 22.71 120.16 89.53 23.83 118.93 91.15 22.53 119.77 92.44 22.48 2 0 17.22-999 ?-999 ?-999 ? CL CL E 207 mTHR^E 99 120.34 89.38 21.59 119.90 89.69 20.74 122.68 89.18 21.95 122.74 90.40 21.78 121.40 88.41 21.63 121.58 87.66 20.29 2 0 17.92-999 ?-999 ?-999 ? CL CL E 207 mSER^E 100 123.67 88.46 22.45 123.43 87.51 22.67 125.98 87.98 22.07 126.13 86.88 22.58 125.00 88.99 22.67 125.23 89.23 24.16 2 0 16.66-999 ?-999 ?-999 ? CL CL E 207 mLEU~E 101 126.61 88.36 20.97 126.47 89.32 20.74 128.88 87.59 20.54 129.33 88.67 20.91 127.41 87.45 20.17 127.20 87.73 18.69 3 0 16.95-999 ?-999 ?-999 ? CL CL E 207 mPRO~E 102 129.64 86.50 20.45 129.12 85.67 20.22 131.87 87.49 19.77 131.75 87.46 18.54 131.09 86.50 20.66 131.49 85.06 20.33 3 0 18.12-999 ?-999 ?-999 ? CL CL E 207 mTHR~E 103 132.66 88.35 20.41 132.66 88.23 21.41 134.93 89.22 20.11 135.24 88.79 21.21 133.45 89.36 19.73 132.95 90.78 20.11 2 0 15.72-999 ?-999 ?-999 ? CL CL E 207 mLYS~E 104 135.82 89.57 19.20 135.43 89.84 18.32 137.64 90.87 20.16 138.30 91.71 19.55 137.26 89.55 19.49 138.09 89.37 18.20 2 0 17.07-999 ?-999 ?-999 ? CL CL E 207 mPHE~E 105 137.20 91.06 21.40 136.73 90.27 21.79 137.79 92.02 23.55 137.16 91.21 24.20 137.40 92.32 22.12 136.12 93.16 22.11 3 0 15.75-999 ?-999 ?-999 ? CL CL E 207 mGLU~E 106 138.82 92.70 24.04 139.21 93.38 23.42 138.44 93.14 26.43 138.55 94.34 26.64 139.30 92.43 25.39 140.76 92.84 25.51 2 0 18.26-999 ?-999 ?-999 ? CL CL E 207 mGLN~E 107 137.56 92.38 27.08 137.61 91.41 26.86 137.32 93.36 29.33 138.14 92.61 29.84 136.63 92.97 28.04 135.50 91.99 28.41 2 0 18.12-999 ?-999 ?-999 ? CL CL E 207 mSER~E 108 136.96 94.52 29.87 136.34 95.05 29.29 136.40 94.79 32.27 135.21 94.77 32.00 137.44 94.99 31.18 137.78 96.48 31.13 2 0 19.69-999 ?-999 ?-999 ? CL CL E 207 mTYR~E 109 136.86 94.67 33.52 137.86 94.67 33.57 135.65 95.90 35.34 134.88 95.97 36.30 135.98 94.55 34.69 136.54 93.56 35.74 3 0 22.15-999 ?-999 ?-999 ? CL CL E 207 mGLU~E 110 136.22 96.97 34.80 136.84 96.75 34.04 134.51 98.78 35.12 133.95 98.75 34.03 135.97 98.32 35.27 136.90 99.30 34.51 2 0 21.37-999 ?-999 ?-999 ? CL CL E 207 mHIS~E 111 133.91 99.17 36.25 134.46 99.00 37.07 132.55 101.02 35.36 133.21 102.02 35.60 132.59 99.80 36.30 132.22 100.25 37.74 3 0 21.10-999 ?-999 ?-999 ? CL CL E 207 mPRO~E 112 131.77 100.93 34.26 131.26 100.08 34.14 130.99 103.29 33.90 130.14 103.16 34.78 131.74 102.08 33.35 130.98 101.55 32.13 3 0 17.73-999 ?-999 ?-999 ? CL CL E 207 mLYS~E 113 131.33 104.47 33.40 132.10 104.44 32.77 129.54 106.05 32.73 128.51 106.64 33.09 130.62 105.69 33.76 131.61 106.85 33.88 2 0 17.99-999 ?-999 ?-999 ? CL CL E 207 mTYR^E 114 129.80 105.75 31.46 130.72 105.39 31.32 128.81 104.71 29.49 129.83 104.01 29.38 128.83 105.95 30.37 129.13 107.16 29.46 3 0 14.54-999 ?-999 ?-999 ? CL CL E 207 mILE^E 115 127.64 104.47 28.88 126.88 105.02 29.22 126.91 104.19 26.59 126.00 105.03 26.69 127.47 103.49 27.83 126.45 102.42 28.24 3 0 11.90-999 ?-999 ?-999 ? CL CL E 207 mVAL^E 116 127.44 103.85 25.42 128.25 103.26 25.48 126.19 103.11 23.54 126.84 102.09 23.36 126.85 104.31 24.17 127.90 104.90 23.23 3 0 8.38-999 ?-999 ?-999 ? CL CL E 207 mLEU^E 117 124.89 103.24 23.25 124.48 104.08 23.60 123.98 102.74 21.11 123.58 103.89 20.91 124.14 102.24 22.51 122.74 102.06 23.08 3 0 8.05-999 ?-999 ?-999 ? CL CL E 207 mTHR^E 118 124.25 101.88 20.14 124.62 101.01 20.47 123.20 101.09 18.10 123.42 99.89 18.38 124.04 102.20 18.72 125.34 102.26 17.94 2 0 -5.54-999 ?-999 ?-999 ? CL CL E 207s mARG^E 119 122.23 101.48 17.29 122.19 102.47 17.13 121.28 100.76 15.18 121.18 101.90 14.72 121.31 100.53 16.68 119.92 100.69 17.24 2 0 8.01-999 ?-999 ?-999 ? CL CL E 207 mALA^E 120 121.36 99.67 14.42 121.36 98.80 14.92 120.58 98.74 12.31 120.22 97.74 12.88 121.44 99.78 12.99 122.89 99.68 12.52 2 0 8.73-999 ?-999 ?-999 ? CL CL E 207 mGLU^E 121 120.24 99.06 11.07 120.63 99.93 10.79 120.32 97.62 9.16 121.12 98.32 8.56 119.40 98.26 10.20 118.47 99.24 9.51 2 0 12.19-999 ?-999 ?-999 ? CL CL E 207 mALA~E 122 120.21 96.31 8.96 119.55 95.85 9.55 120.45 94.27 7.65 119.79 93.69 8.49 121.02 95.64 7.94 122.44 95.50 8.41 2 0 13.74-999 ?-999 ?-999 ? CL CL E 207 mALA~E 123 120.71 93.75 6.46 121.22 94.36 5.85 120.78 91.39 7.13 121.87 91.55 7.68 120.29 92.40 6.10 120.82 92.05 4.72 2 0 17.23-999 ?-999 ?-999 ? CL CL E 207 mMETE 124 119.99 90.34 7.41 119.08 90.39 7.01 121.55 88.43 7.49 122.41 87.81 8.11 120.48 89.23 8.25 119.35 88.29 8.72 2 0 18.40-999 ?-999 ?-999 ? CL CL E 207 mSER~E 125 121.51 88.48 6.16 120.72 88.96 5.79 123.91 88.60 5.38 124.92 88.07 4.93 122.56 87.87 5.32 122.10 87.77 3.87 2 0 20.12-999 ?-999 ?-999 ? CL CL E 207 mASP~E 126 123.93 89.82 5.93 123.02 90.19 6.14 125.69 90.35 7.61 126.59 91.06 8.02 125.18 90.53 6.18 125.02 92.01 5.86 2 0 16.87-999 ?-999 ?-999 ? CL CL E 207 mLYS~E 127 125.14 89.39 8.35 124.48 88.82 7.85 127.00 89.04 9.99 127.54 89.57 10.95 125.50 89.20 9.76 124.76 88.00 10.37 2 0 16.19-999 ?-999 ?-999 ? CL CL E 207 mASP~E 128 127.66 88.31 9.10 127.10 88.03 8.32 130.00 89.12 8.85 130.99 89.39 9.53 129.07 87.97 9.25 129.41 86.74 8.42 2 0 17.23-999 ?-999 ?-999 ? CL CL E 207 mLYS~E 129 129.68 89.76 7.74 128.92 89.35 7.23 130.34 91.96 8.47 131.36 92.54 8.82 130.39 90.96 7.31 129.78 91.52 6.02 2 0 15.62-999 ?-999 ?-999 ? CL CL E 207 mPHE~E 130 129.17 92.10 9.08 128.43 91.56 8.67 129.89 92.61 11.41 130.59 93.47 11.94 128.97 92.95 10.25 127.53 92.84 10.74 3 0 12.30-999 ?-999 ?-999 ? CL CL E 207 mLEU~E 131 129.87 91.35 11.82 129.25 90.76 11.31 132.18 91.12 12.65 132.93 91.43 13.56 130.71 90.90 12.92 130.47 89.42 13.22 3 0 13.45-999 ?-999 ?-999 ? CL CL E 207 mASN~E 132 132.58 90.95 11.39 131.86 90.70 10.75 134.44 92.57 11.09 135.56 92.84 11.51 133.99 91.12 11.01 134.27 90.49 9.64 2 0 14.68-999 ?-999 ?-999 ? CL CL E 207 mCYH~E 133 133.57 93.51 10.70 132.75 93.15 10.27 134.05 95.23 12.36 135.01 95.91 12.72 133.84 94.94 10.90 132.66 95.78 10.44 2 0 11.52-999 ?-999 ?-999 ? CL CL E 207 mILE~E 134 133.13 94.75 13.18 132.40 94.23 12.73 134.52 94.45 15.17 135.16 95.11 16.00 133.20 94.97 14.62 132.01 94.29 15.36 3 0 10.09-999 ?-999 ?-999 ? CL CL E 207 mASN~E 135 134.95 93.28 14.69 134.33 92.85 14.04 137.46 93.48 14.55 138.47 93.61 15.24 136.25 92.72 15.10 136.35 91.23 14.74 2 0 13.53-999 ?-999 ?-999 ? CL CL E 207 mASP~E 136 137.37 93.99 13.33 136.49 93.82 12.88 138.72 96.06 13.44 139.85 96.53 13.52 138.48 94.72 12.73 138.26 94.93 11.22 2 0 13.84-999 ?-999 ?-999 ? CL CL E 207 mTHR~E 137 137.65 96.65 13.97 136.80 96.14 13.85 137.82 97.79 16.18 137.83 98.78 16.90 137.72 97.93 14.65 136.49 98.75 14.31 2 0 10.96-999 ?-999 ?-999 ? CL CL E 207 mALA~E 138 137.92 96.56 16.69 137.95 95.83 16.01 139.12 97.13 18.79 139.00 97.53 19.95 137.96 96.37 18.13 138.04 94.91 18.46 2 0 12.18-999 ?-999 ?-999 ? CL CL E 207 mSER~E 139 140.21 97.35 18.07 140.19 96.95 17.15 141.01 99.62 18.72 141.45 100.25 19.66 141.33 98.13 18.59 142.58 97.91 17.73 2 0 14.21-999 ?-999 ?-999 ? CL CL E 207 mCYH~E 140 140.24 100.19 17.79 139.99 99.58 17.04 139.20 101.92 19.25 139.45 102.98 19.83 139.81 101.60 17.89 138.77 101.94 16.82 2 0 11.61-999 ?-999 ?-999 ? CL CL E 207 mPHE~E 141 138.39 100.99 19.74 138.29 100.18 19.16 138.69 100.96 22.14 138.87 101.85 22.98 137.70 101.16 21.00 136.54 100.16 21.10 3 0 10.75-999 ?-999 ?-999 ? CL CL E 207 mLYS~E 142 139.37 99.82 22.15 139.23 99.24 21.35 141.34 100.51 23.43 141.57 101.00 24.54 140.23 99.49 23.27 140.84 98.10 23.10 2 0 14.41-999 ?-999 ?-999 ? CL CL E 207 mASP~E 143 141.99 100.86 22.33 141.65 100.42 21.50 142.69 103.17 22.88 143.46 103.85 23.55 143.11 101.80 22.36 143.77 101.91 20.98 2 0 16.00-999 ?-999 ?-999 ? CL CL E 207 mASN~E 144 141.45 103.57 22.62 140.88 102.90 22.15 140.21 104.95 24.31 139.66 105.98 24.66 141.00 104.90 23.00 140.21 105.51 21.85 2 0 14.31-999 ?-999 ?-999 ? CL CL E 207 mGLY~E 145 140.19 103.84 25.05 140.57 103.04 24.59 138.38 103.05 26.64 137.90 103.00 27.77 139.65 103.83 26.40-999.99-999.99-999.99 1 0 15.20-999 ?-999 ?-999 ? CL CL E 207 mALA~E 146 137.82 102.42 25.61 138.32 102.54 24.75 136.81 100.43 26.68 137.85 99.76 26.63 136.59 101.63 25.76 136.09 101.17 24.43 2 0 12.83-999 ?-999 ?-999 ? CL CL E 207 mLEU~E 147 135.83 100.18 27.53 135.00 100.73 27.38 135.35 97.87 28.20 135.97 96.83 28.37 135.94 99.20 28.60 135.22 99.72 29.85 3 0 15.33-999 ?-999 ?-999 ? CL CL E 207 mTHR^E 148 134.13 97.92 27.68 133.77 98.84 27.57 132.72 96.92 25.98 132.40 98.05 25.60 133.38 96.73 27.32 132.29 96.45 28.35 2 0 14.21-999 ?-999 ?-999 ? CL CL E 207 mLEU^E 149 132.54 95.82 25.26 132.94 95.00 25.65 130.95 94.59 23.81 131.44 93.46 23.84 131.81 95.84 24.00 132.77 95.99 22.84 3 0 11.77-999 ?-999 ?-999 ? CL CL E 207 mARG^E 150 129.65 94.83 23.62 129.43 95.80 23.69 127.86 94.13 22.07 127.47 95.27 21.83 128.66 93.79 23.34 127.66 93.63 24.51 2 0 12.45-999 ?-999 ?-999 ? CL CL E 207 mPHE^E 151 127.58 93.11 21.29 127.77 92.22 21.70 126.10 92.13 19.67 126.37 91.00 20.05 127.05 93.28 19.97 128.22 93.28 19.01 3 0 11.38-999 ?-999 ?-999 ? CL CL E 207 mGLY^E 152 124.97 92.42 19.02 124.87 93.39 18.80 122.78 91.92 17.92 122.86 92.97 17.29 123.99 91.39 18.68-999.99-999.99-999.99 1 0 13.53-999 ?-999 ?-999 ? CL CL E 207 mASN^E 153 121.68 91.18 17.98 121.77 90.33 18.48 119.28 91.62 18.33 119.18 90.74 19.21 120.45 91.62 17.36 120.10 90.75 16.17 2 0 14.73-999 ?-999 ?-999 ? CL CL E 207 mLEU~E 154 118.42 92.62 18.20 118.66 93.32 17.53 116.37 91.48 18.57 116.07 91.33 17.38 117.21 92.68 19.00 116.47 94.00 18.78 3 0 16.20-999 ?-999 ?-999 ? CL CL E 207 mLEU~E 155 116.01 90.62 19.54 116.43 90.82 20.42 113.64 89.92 19.38 112.82 89.26 18.77 115.10 89.50 19.32 115.32 88.39 20.35 3 0 19.95-999 ?-999 ?-999 ? CL CL E 207 mTHR~E 156 113.33 90.98 20.14 114.12 91.45 20.53 111.75 92.86 20.02 112.72 93.61 19.91 111.94 91.38 20.34 111.46 91.14 21.81 2 0 21.22-999 ?-999 ?-999 ? CL CL E 207 mGLY~E 157 110.50 93.26 19.90 109.83 92.52 19.88 109.82 95.17 18.41 109.79 94.43 17.43 110.14 94.67 19.81-999.99-999.99-999.99 1 0 20.93-999 ?-999 ?-999 ? CL CL E 207 mSER~E 158 109.56 96.46 18.33 109.62 96.96 19.20 110.46 97.36 16.26 110.33 97.79 15.11 109.23 97.08 17.09 108.43 98.36 17.36 2 0 20.52-999 ?-999 ?-999 ? CL CL E 207 mASN~E 159 111.65 97.15 16.82 111.61 96.98 17.80 113.56 95.79 15.95 114.78 95.67 15.84 112.90 97.17 16.03 113.87 98.21 16.60 2 0 17.03-999 ?-999 ?-999 ? CL CL E 207 mVAL~E 160 112.74 94.74 16.01 111.77 94.98 16.08 114.05 93.17 14.70 113.63 93.58 13.64 113.23 93.35 15.96 112.08 92.30 16.00 3 0 18.58-999 ?-999 ?-999 ? CL CL E 207 mGLY~E 161 115.22 92.54 14.85 115.40 92.23 15.78 117.25 93.38 13.70 118.33 93.08 13.25 116.14 92.34 13.73-999.99-999.99-999.99 1 0 17.08-999 ?-999 ?-999 ? CL CL E 207 mASN~E 162 117.01 94.60 14.18 116.08 94.77 14.51 119.32 95.05 14.95 119.19 94.35 15.96 118.10 95.59 14.18 117.69 96.93 14.82 2 0 13.45-999 ?-999 ?-999 ? CL CL E 207 mTYR^E 163 120.50 95.41 14.45 120.46 95.87 13.56 121.88 96.15 16.23 121.50 97.31 16.06 121.73 95.13 15.14 122.93 95.24 14.20 3 0 11.10-999 ?-999 ?-999 ? CL CL E 207 mLEU^E 164 122.43 95.73 17.36 122.73 94.77 17.34 124.01 96.50 19.05 124.50 95.40 19.24 122.58 96.61 18.52 121.57 96.25 19.61 3 0 9.72-999 ?-999 ?-999 ? CL CL E 207 mLEU^E 165 124.65 97.64 19.27 124.13 98.46 19.03 125.93 98.44 21.15 125.27 99.48 21.23 126.00 97.68 19.83 126.97 98.37 18.87 3 0 7.69-999 ?-999 ?-999 ? CL CL E 207 mGLY^E 166 126.56 97.90 22.19 126.94 96.99 22.00 128.16 98.65 23.87 128.82 97.63 23.86 126.70 98.59 23.49-999.99-999.99-999.99 1 0 9.34-999 ?-999 ?-999 ? CL CL E 207 mVAL^E 167 128.67 99.85 24.18 127.99 100.58 24.20 130.24 100.86 25.74 129.67 101.94 25.85 130.09 100.04 24.47 130.81 100.83 23.35 3 0 9.41-999 ?-999 ?-999 ? CL CL E 207 mGLY^E 168 131.00 100.34 26.70 131.41 99.46 26.47 132.40 101.93 27.91 133.40 101.58 27.26 131.19 101.03 27.97-999.99-999.99-999.99 1 0 12.58-999 ?-999 ?-999 ? CL CL E 207 mTYR^E 169 132.33 103.06 28.61 131.48 103.15 29.14 133.55 104.69 29.97 132.57 104.85 30.70 133.39 104.07 28.60 133.04 105.22 27.64 3 0 13.51-999 ?-999 ?-999 ? CL CL E 207 mPRO~E 170 134.79 105.13 30.31 135.46 105.07 29.56 134.86 107.16 31.72 134.82 107.74 32.80 135.12 105.67 31.64 136.62 105.46 31.72 3 0 17.07-999 ?-999 ?-999 ? CL CL E 207 mSER~E 171 134.72 107.77 30.55 134.74 107.15 29.76 134.14 109.59 29.05 134.24 108.81 28.09 134.55 109.20 30.44 135.88 109.92 30.70 2 0 16.54-999 ?-999 ?-999 ? CL CL E 207 mMETE 172 133.73 110.83 28.93 133.70 111.33 29.79 134.53 111.56 26.69 134.38 111.38 25.48 133.36 111.39 27.64 132.79 112.78 27.85 2 0 14.69-999 ?-999 ?-999 ? CL CL E 207 mGLU~E 173 135.68 111.92 27.23 135.65 112.08 28.21 137.17 110.75 25.66 137.57 110.76 24.49 136.87 112.06 26.40 138.09 112.47 27.23 2 0 15.65-999 ?-999 ?-999 ? CL CL E 207 mALA~E 174 137.00 109.62 26.34 136.69 109.72 27.29 136.27 108.13 24.53 136.67 107.61 23.47 137.26 108.35 25.70 137.18 107.22 26.69 2 0 13.79-999 ?-999 ?-999 ? CL CL E 207 mILE~E 175 135.01 108.53 24.71 134.81 108.87 25.63 134.52 109.35 22.46 134.63 108.87 21.32 134.02 108.47 23.62 132.60 108.94 24.04 3 0 10.47-999 ?-999 ?-999 ? CL CL E 207 mGLU~E 176 134.85 110.61 22.74 134.78 110.86 23.70 136.53 110.96 20.95 136.55 110.95 19.72 135.29 111.51 21.67 135.52 112.93 22.19 2 0 11.68-999 ?-999 ?-999 ? CL CL E 207 mLYS~E 177 137.53 110.48 21.69 137.38 110.55 22.68 138.40 108.63 20.26 138.93 108.43 19.16 138.73 109.92 21.05 139.90 109.71 22.04 2 0 12.88-999 ?-999 ?-999 ? CL CL E 207 mTHR~E 178 137.52 107.78 20.79 137.18 108.04 21.70 136.45 106.91 18.72 136.76 106.29 17.70 137.11 106.57 20.07 136.15 105.69 20.89 2 0 9.85-999 ?-999 ?-999 ? CL CL E 207 mTYR~E 179 135.56 107.89 18.73 135.41 108.33 19.61 135.79 109.03 16.53 135.66 108.88 15.32 134.88 108.26 17.49 133.53 108.96 17.75 3 0 -7.85-999 ?-999 ?-999 ? CL CL E 207s mASP~E 180 136.71 109.84 17.04 136.68 109.94 18.03 138.38 109.44 15.29 138.49 109.60 14.08 137.69 110.50 16.16 138.75 111.31 16.95 2 0 11.30-999 ?-999 ?-999 ? CL CL E 207 mGLU~E 181 138.81 108.35 15.90 138.64 108.33 16.89 138.53 106.44 14.34 138.82 106.12 13.18 139.48 107.28 15.17 140.25 106.36 16.12 2 0 11.47-999 ?-999 ?-999 ? CL CL E 207 mLEU~E 182 137.40 106.06 14.93 137.26 106.45 15.84 135.99 105.73 12.95 136.10 105.07 11.92 136.47 105.15 14.28 135.26 104.85 15.19 3 0 8.18-999 ?-999 ?-999 ? CL CL E 207 mLEU~E 183 135.49 106.96 12.98 135.57 107.41 13.87 135.84 107.65 10.62 135.40 107.76 9.47 134.87 107.59 11.80 134.38 109.01 12.12 3 0 8.44-999 ?-999 ?-999 ? CL CL E 207 mALA~E 184 137.14 107.61 10.91 137.33 107.59 11.89 138.94 106.25 9.83 140.18 106.22 9.79 138.19 107.60 9.89 139.18 108.74 10.16 2 0 12.00-999 ?-999 ?-999 ? CL CL E 207 mHIS~E 185 138.18 105.14 9.82 137.21 105.34 9.93 138.04 103.06 8.51 136.83 103.19 8.34 138.74 103.77 9.67 138.57 102.97 10.97 3 0 11.97-999 ?-999 ?-999 ? CL CL E 207 mSER~E 186 138.81 102.32 7.72 139.75 102.22 8.05 137.11 100.78 6.74 136.08 100.89 6.07 138.30 101.72 6.49 139.43 100.99 5.73 2 0 13.76-999 ?-999 ?-999 ? CL CL E 207 mSER~E 187 137.26 99.89 7.72 138.16 99.91 8.14 134.90 99.68 8.50 133.82 99.20 8.16 136.18 98.97 8.12 136.63 98.11 9.30 2 0 11.97-999 ?-999 ?-999 ? CL CL E 207 mTYR~E 188 135.01 100.82 9.18 135.94 101.06 9.45 133.17 102.16 8.21 131.96 102.00 8.03 133.83 101.64 9.50 134.20 102.80 10.44 3 0 8.63-999 ?-999 ?-999 ? CL CL E 207 mLYS~E 189 133.96 102.76 7.32 134.91 102.83 7.62 132.74 102.17 5.26 131.68 102.41 4.66 133.45 103.27 6.04 134.60 103.84 5.19 2 0 11.09-999 ?-999 ?-999 ? CL CL E 207 mGLU~E 190 133.30 100.96 5.30 134.16 100.92 5.82 131.39 99.35 5.30 130.45 98.98 4.60 132.70 99.80 4.64 133.67 98.61 4.53 2 0 12.73-999 ?-999 ?-999 ? CL CL E 207 mLEU~E 191 131.33 99.38 6.63 132.19 99.65 7.07 128.96 99.95 6.90 127.83 99.47 6.74 130.11 99.05 7.36 130.35 99.16 8.88 3 0 9.98-999 ?-999 ?-999 ? CL CL E 207 mMETE 192 129.26 101.22 6.64 130.24 101.44 6.74 127.73 102.04 4.84 126.82 102.76 4.43 128.25 102.21 6.25 128.80 103.63 6.40 2 0 9.87-999 ?-999 ?-999 ? CL CL E 207 mTHR~E 193 128.30 101.10 4.08 129.08 100.64 4.50 126.67 99.77 2.80 125.91 99.66 1.84 127.80 100.79 2.75 128.91 100.21 1.88 2 0 13.60-999 ?-999 ?-999 ? CL CL E 207 mPHE~E 194 126.56 99.03 3.90 127.26 99.22 4.59 124.73 98.07 5.41 123.90 97.20 5.67 125.48 98.04 4.07 126.03 96.63 3.79 3 0 13.61-999 ?-999 ?-999 ? CL CL E 207 mALA~E 195 125.00 99.07 6.25 125.73 99.68 5.95 123.88 100.69 7.69 124.67 101.58 7.43 124.28 99.23 7.51 125.15 98.78 8.68 2 0 10.55-999 ?-999 ?-999 ? CL CL E 207 mLYS^E 196 122.65 100.93 8.12 122.10 100.10 8.24 121.93 102.44 9.90 121.05 101.80 10.48 122.14 102.27 8.39 120.81 102.47 7.64 2 0 10.07-999 ?-999 ?-999 ? CL CL E 207 mVAL^E 197 122.74 103.28 10.55 123.49 103.65 10.00 121.22 104.38 12.06 121.08 105.39 11.40 122.52 103.60 11.97 123.64 104.48 12.56 3 0 7.27-999 ?-999 ?-999 ? CL CL E 207 mASN^E 198 120.28 103.90 12.87 120.54 103.03 13.30 118.83 105.17 14.50 117.79 105.76 14.82 119.00 104.60 13.10 117.77 103.72 12.74 2 0 10.03-999 ?-999 ?-999 ? CL CL E 207 mMETE 199 119.84 104.97 15.34 120.58 104.43 14.96 121.25 105.43 17.32 121.99 104.46 17.13 119.84 105.52 16.68 118.80 104.80 17.53 2 0 8.92-999 ?-999 ?-999 ? CL CL E 207 mARG^E 200 121.62 106.46 18.06 121.00 107.24 18.01 122.57 107.27 20.10 122.14 108.40 19.97 122.83 106.42 18.88 124.03 106.98 18.09 2 0 -6.93-999 ?-999 ?-999 ? CL CL E 207s mASN^E 201 122.79 106.74 21.30 123.18 105.81 21.28 123.45 107.16 23.66 124.08 106.11 23.64 122.48 107.49 22.52 121.00 107.25 22.92 2 0 9.66-999 ?-999 ?-999 ? CL CL E 207 mILE^E 202 123.58 108.07 24.62 122.96 108.85 24.53 123.75 107.67 26.98 122.76 108.36 27.21 124.53 107.91 25.71 125.39 109.19 25.85 3 0 11.30-999 ?-999 ?-999 ? CL CL E 207 mILE^E 203 124.16 106.68 27.78 124.92 106.15 27.41 124.59 106.76 30.15 125.76 106.39 30.01 123.56 106.40 29.08 123.21 104.93 29.19 3 0 14.26-999 ?-999 ?-999 ? CL CL E 207 mLYS^E 204 124.16 107.50 31.18 123.21 107.79 31.10 124.74 106.86 33.44 123.64 106.81 33.96 125.01 107.85 32.33 124.69 109.26 32.85 2 0 17.21-999 ?-999 ?-999 ? CL CL E 207 mILE^E 205 125.75 106.06 33.81 126.60 106.18 33.31 125.28 105.82 36.19 126.05 106.71 36.57 125.55 105.10 34.88 126.74 104.17 35.10 3 0 19.18-999 ?-999 ?-999 ? CL CL E 207 mLEU~E 206 124.19 105.41 36.85 123.69 104.70 36.36 124.16 104.90 39.21 124.10 103.67 38.96 123.77 105.94 38.15 122.24 106.12 38.19 3 0 22.78-999 ?-999 ?-999 ? CL CL E 207