HEADER STRUCTURAL PROTEIN 18-SEP-07 2RBD COMPND BH2358 PROTEIN; COMPND 3 CHAIN: A, B; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS HALODURANS C-125; SOURCE 3 ORGANISM_TAXID: 272558; SOURCE 4 STRAIN: C-125, DSM 18197, FERM 7344, JCM 9153; SOURCE 5 ATCC: BAA-125; SOURCE 6 GENE: NP_243224.1, BH2358; 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 58 8 HET MSE A 108 13 HET MSE A 132 8 HET MSE A 138 8 HET MSE A 147 8 HET MSE B 58 8 HET MSE B 108 13 HET MSE B 132 8 HET MSE B 138 13 HET MSE B 147 8 HET PG4 A 171 13 HET PG4 A 172 13 HET PG4 B 171 13 SITE 1 AC1 10 TYR B 24 THR B 27 ASN B 28 LEU B 31 SITE 1 AC2 10 TYR A 24 THR A 27 ASN A 28 ALA A 57 SITE 1 AC3 8 VAL A 115 GLN A 119 HOH A 219 HOH A 315 mASN~A 7 2.76 42.74 88.93 2.64 42.77 89.93 4.35 42.22 87.05 5.32 43.01 87.14 2.94 42.71 87.45 2.66 44.10 86.87 2 0 25.79-999 ?-999 ?-999 ? O5 PG4 A 171 mPRO~A 8 4.47 40.94 86.58 3.61 40.46 86.42 6.61 41.15 85.37 7.80 41.34 85.56 5.80 40.33 86.35 5.49 38.94 85.74 3 0 22.96-999 ?-999 ?-999 ? O5 PG4 A 171 mGLN~A 9 5.92 41.65 84.35 4.93 41.48 84.39 6.97 43.81 83.62 7.53 44.49 82.77 6.56 42.37 83.27 5.68 42.31 82.03 2 0 22.37-999 ?-999 ?-999 ? O1 PG4 A 171 mASP~A 10 6.71 44.28 84.84 6.07 43.72 85.37 8.67 45.26 86.07 9.31 46.21 86.49 7.32 45.51 85.33 6.35 46.26 86.25 2 0 25.64-999 ?-999 ?-999 ? O1 PG4 A 171 mGLU~A 11 9.08 44.00 86.22 8.44 43.33 85.86 11.37 43.42 85.74 10.99 42.96 84.68 10.37 43.66 86.86 10.24 42.36 87.67 2 0 24.45-999 ?-999 ?-999 ? O1 PG4 A 171 mPRO.A 12 12.64 43.75 85.96 12.82 44.22 86.83 13.92 41.93 84.86 13.89 41.21 85.86 13.66 43.43 84.96 14.92 44.11 85.50 3 0 22.63-999 ?-999 ?-999 ? O1 PG4 A 171 mLEU.A 13 14.19 41.47 83.64 13.96 42.12 82.91 16.17 40.08 84.03 16.91 41.06 84.06 14.78 40.15 83.42 14.88 39.84 81.92 3 0 19.10-999 ?-999 ?-999 ? O1 PG4 A 171 mHIS~A 14 16.54 38.91 84.52 15.81 38.23 84.59 18.78 38.20 83.73 18.27 37.89 82.67 17.93 38.69 84.90 18.07 37.84 86.17 3 0 17.29-999 ?-999 ?-999 ? C1 PG4 A 172 mTYR~A 15 20.08 38.27 83.89 20.36 38.58 84.81 20.83 36.54 82.25 20.95 36.35 81.04 21.02 37.93 82.82 22.45 38.03 83.33 3 0 15.14-999 ?-999 ?-999 ? C1 PG4 A 172 mGLY~A 16 20.48 35.60 83.11 20.46 35.90 84.06 18.93 34.14 81.83 18.90 33.43 80.83 20.17 34.24 82.67-999.99-999.99-999.99 1 0 11.88-999 ?-999 ?-999 ? C1 PG4 A 172 mGLU~A 17 17.88 34.80 82.25 17.98 35.25 83.14 16.92 35.45 80.09 16.42 34.93 79.08 16.68 34.85 81.47 15.60 35.65 82.21 2 0 13.40-999 ?-999 ?-999 ? C1 PG4 A 172 mVAL~A 18 17.68 36.54 80.04 18.00 36.89 80.92 18.83 36.19 77.88 18.45 35.91 76.73 18.01 37.15 78.76 18.73 38.51 78.93 3 0 14.14-999 ?-999 ?-999 ? O1 PG4 A 171 mPHE~A 19 19.91 35.66 78.43 20.07 35.89 79.39 20.02 33.54 77.17 20.13 33.13 76.00 20.75 34.80 77.62 22.04 34.43 78.36 3 0 11.42-999 ?-999 ?-999 ? C1 PG4 A 172 mSER~A 20 19.27 32.95 78.07 19.20 33.42 78.94 17.50 31.87 76.68 17.37 31.04 75.78 18.62 31.68 77.73 18.11 30.97 78.98 2 0 9.29-999 ?-999 ?-999 ? C1 PG4 A 172 mTHR~A 21 16.70 32.92 76.81 16.89 33.47 77.62 16.24 33.57 74.50 15.77 33.12 73.46 15.64 33.23 75.86 14.80 34.43 76.37 2 0 8.97-999 ?-999 ?-999 ? O1 PG4 A 171 mTRP~A 22 17.25 34.43 74.51 17.47 34.79 75.42 18.52 33.56 72.59 18.39 33.37 71.36 17.95 34.79 73.27 19.07 35.78 73.59 3 0 9.67-999 ?-999 ?-999 ? O1 PG4 A 171 mTHR~A 23 19.17 32.69 73.36 19.22 32.93 74.33 18.66 30.52 72.25 18.82 29.91 71.19 19.73 31.49 72.82 20.61 30.82 73.88 2 0 7.59-999 ?-999 ?-999 ? O1 PG4 A 171 mTYR~A 24 17.55 30.37 72.97 17.55 30.88 73.83 15.88 30.02 71.18 15.58 29.27 70.25 16.45 29.53 72.52 15.38 29.48 73.63 3 0 -4.29-999 ?-999 ?-999 ? O1 PG4 A 171s mLEU~A 25 15.66 31.31 71.09 15.84 31.81 71.94 16.20 31.70 68.70 15.82 31.36 67.60 15.20 31.93 69.85 14.99 33.44 70.10 3 0 6.04-999 ?-999 ?-999 ? O1 PG4 A 171 mSER~A 26 17.49 31.91 68.96 17.65 32.30 69.87 18.49 30.15 67.54 18.61 29.84 66.34 18.56 31.59 68.01 19.94 31.79 68.65 2 0 7.16-999 ?-999 ?-999 ? O1 PG4 A 171 mTHR~A 27 18.38 29.24 68.50 18.37 29.62 69.42 17.07 27.53 67.29 17.22 26.84 66.26 18.27 27.80 68.22 18.24 26.99 69.50 2 0 -4.46-999 ?-999 ?-999 ? O1 PG4 A 171s mASN~A 28 15.92 28.10 67.63 15.94 28.61 68.49 15.02 28.50 65.36 14.62 27.86 64.38 14.74 27.97 66.78 13.52 28.68 67.35 2 0 -4.37-999 ?-999 ?-999 ? O1 PG4 A 171s mASN~A 29 15.65 29.65 65.23 15.90 30.09 66.10 16.76 29.24 63.08 16.54 29.06 61.88 15.93 30.20 63.91 16.68 31.53 64.06 2 0 8.01-999 ?-999 ?-999 ? O1 PG4 A 171 mGLY~A 30 17.74 28.62 63.72 17.84 28.88 64.68 17.86 26.39 62.65 18.05 25.83 61.55 18.60 27.65 63.03-999.99-999.99-999.99 1 0 8.58-999 ?-999 ?-999 ? O1 PG4 A 171 mLEU~A 31 17.03 25.93 63.54 17.00 26.48 64.38 15.18 24.94 62.19 14.99 24.10 61.34 16.24 24.71 63.26 15.62 24.15 64.54 3 0 7.03-999 ?-999 ?-999 ? C4 PG4 A 171 mILE~A 32 14.54 26.11 62.18 14.73 26.71 62.95 14.36 26.36 59.74 13.85 25.79 58.79 13.64 26.45 61.10 13.02 27.83 61.34 3 0 8.73-999 ?-999 ?-999 ? C4 PG4 A 171 mASN~A 33 15.56 26.93 59.67 15.87 27.36 60.52 16.70 25.48 58.04 16.51 25.09 56.90 16.33 26.90 58.44 17.57 27.77 58.62 2 0 11.83-999 ?-999 ?-999 ? C4 PG4 A 171 mGLY~A 34 17.20 24.69 58.98 17.32 25.13 59.87 16.37 22.44 58.27 16.46 21.65 57.35 17.55 23.29 58.67-999.99-999.99-999.99 1 0 11.04-999 ?-999 ?-999 ? C4 PG4 A 171 mTYR~A 35 15.26 22.63 58.96 15.31 23.32 59.68 13.46 22.28 57.31 12.92 21.46 56.61 14.06 21.87 58.66 13.02 22.01 59.76 3 0 9.67-999 ?-999 ?-999 ? C5 PG4 A 171 mARG~A 36 13.54 23.56 56.95 13.89 24.18 57.66 14.00 23.29 54.54 13.51 22.90 53.47 13.14 23.98 55.61 13.19 25.49 55.53 2 0 12.56-999 ?-999 ?-999 ? C5 PG4 A 171 mSER~A 37 15.27 23.08 54.86 15.58 23.49 55.72 15.65 20.84 53.94 15.42 20.27 52.88 16.11 22.30 53.93 17.57 22.38 54.30 2 0 14.84-999 ?-999 ?-999 ? C5 PG4 A 171 mPHE~A 38 15.40 20.27 55.13 15.58 20.85 55.92 13.61 18.67 54.43 13.44 17.61 53.87 14.90 18.90 55.21 14.69 18.48 56.65 3 0 13.38-999 ?-999 ?-999 ? C5 PG4 A 171 mILE~A 39 12.71 19.64 54.38 12.94 20.46 54.91 11.87 19.14 52.12 11.26 18.28 51.51 11.49 19.49 53.57 10.60 20.77 53.60 3 0 14.11-999 ?-999 ?-999 ? C5 PG4 A 171 mASN~A 40 12.89 19.80 51.60 13.29 20.48 52.21 14.06 18.19 50.05 14.12 17.69 48.92 13.37 19.54 50.24 14.27 20.68 49.80 2 0 17.64-999 ?-999 ?-999 ? C5 PG4 A 171 mHIS~A 41 14.59 17.60 51.12 14.47 18.14 51.95 14.35 15.14 51.37 14.75 14.03 51.22 15.27 16.31 51.10 16.37 16.25 52.19 3 0 17.87-999 ?-999 ?-999 ? C5 PG4 A 171 mTHR.A 42 13.13 15.35 51.81 12.81 16.30 51.84 11.37 13.72 51.17 10.81 14.50 50.40 12.36 14.17 52.21 11.62 14.30 53.54 2 0 16.99-999 ?-999 ?-999 ? C5 PG4 A 171 mGLY.A 43 11.19 12.41 51.17 11.76 11.92 51.82 8.90 11.56 50.97 7.82 11.89 50.42 10.24 11.78 50.27-999.99-999.99-999.99 1 0 19.67-999 ?-999 ?-999 ? C5 PG4 A 171 mASP~A 44 8.98 11.03 52.18 9.91 10.96 52.54 6.88 11.74 53.28 7.27 12.68 53.95 7.82 10.60 52.91 8.28 9.85 54.13 2 0 18.23-999 ?-999 ?-999 ? C5 PG4 A 171 mGLU~A 45 5.61 11.64 52.88 5.39 10.77 52.43 4.28 12.93 54.57 3.97 14.05 55.01 4.65 12.73 53.10 3.35 12.51 52.30 2 0 17.43-999 ?-999 ?-999 ? C6 PG4 A 171 mASP~A 46 4.26 11.84 55.32 4.49 11.00 54.83 5.04 12.61 57.53 4.77 13.42 58.40 3.94 11.89 56.74 3.72 10.50 57.31 2 0 15.20-999 ?-999 ?-999 ? C6 PG4 A 171 mLEU~A 47 6.29 12.34 57.16 6.38 11.63 56.46 7.35 14.51 57.36 7.53 15.41 58.20 7.39 13.06 57.78 8.71 12.40 57.37 3 0 12.95-999 ?-999 ?-999 ? C6 PG4 A 171 mLYS~A 48 7.09 14.79 56.08 6.95 13.99 55.50 5.97 16.96 56.40 6.19 18.12 56.78 7.03 16.18 55.63 6.77 16.29 54.12 2 0 13.27-999 ?-999 ?-999 ? C6 PG4 A 171 mASN~A 49 4.82 16.34 56.66 4.74 15.40 56.32 4.24 17.41 58.78 3.90 18.47 59.28 3.79 17.03 57.38 2.55 16.16 57.50 2 0 12.26-999 ?-999 ?-999 ? C6 PG4 A 171 mLEU~A 50 4.96 16.52 59.43 5.14 15.68 58.92 6.55 17.85 60.80 6.63 18.65 61.73 5.44 16.79 60.78 5.89 15.49 61.46 3 0 8.90-999 ?-999 ?-999 ? C6 PG4 A 171 mILE~A 51 7.39 17.89 59.77 7.25 17.17 59.09 7.73 20.26 59.53 8.09 21.23 60.20 8.43 18.92 59.67 9.39 18.71 58.48 3 0 8.37-999 ?-999 ?-999 ? C5 PG4 A 171 mASP~A 52 6.71 20.32 58.67 6.52 19.48 58.15 5.31 21.97 59.84 5.31 23.14 60.21 5.95 21.55 58.52 4.84 21.37 57.48 2 0 9.73-999 ?-999 ?-999 ? C6 PG4 A 171 mGLU~A 53 4.80 21.03 60.59 4.85 20.11 60.19 5.26 21.87 62.85 4.99 22.80 63.60 4.21 21.34 61.88 3.57 20.09 62.44 2 0 7.49-999 ?-999 ?-999 ? C6 PG4 A 171 mALA~A 54 6.42 21.25 62.86 6.49 20.46 62.26 7.91 23.16 63.40 8.13 23.95 64.32 7.50 21.73 63.71 8.71 20.81 63.63 2 0 4.35-999 ?-999 ?-999 ? C6 PG4 A 171 mILE~A 55 8.06 23.46 62.10 7.93 22.69 61.48 7.36 25.80 62.18 7.69 26.84 62.74 8.40 24.82 61.67 8.52 24.89 60.15 3 0 7.09-999 ?-999 ?-999 ? C5 PG4 A 171 mGLN~A 56 6.09 25.48 62.01 5.94 24.58 61.60 5.03 26.59 63.94 4.85 27.69 64.44 5.04 26.42 62.43 3.65 25.98 61.95 2 0 8.31-999 ?-999 ?-999 ? C7 PG4 A 171 mALA~A 57 5.24 25.50 64.68 5.35 24.67 64.13 6.44 26.43 66.62 6.26 27.25 67.53 5.30 25.53 66.15 5.43 24.12 66.72 2 0 -5.01-999 ?-999 ?-999 ? C7 PG4 A 171s mMETA 58 7.58 26.34 65.96 7.58 25.67 65.22 8.51 28.63 65.98 8.91 29.52 66.73 8.73 27.18 66.33 9.99 26.65 65.68 2 0 5.67-999 ?-999 ?-999 ? O4 PG4 A 171 mGLN~A 59 7.85 28.86 64.85 7.63 28.05 64.31 6.54 30.82 65.51 6.66 32.00 65.85 7.48 30.21 64.49 6.86 30.22 63.10 2 0 9.22-999 ?-999 ?-999 ? O4 PG4 A 171 mASP~A 60 5.64 30.03 66.05 5.65 29.09 65.70 5.47 30.85 68.39 5.20 31.88 69.04 4.72 30.54 67.08 3.58 29.54 67.33 2 0 8.50-999 ?-999 ?-999 ? O5 PG4 A 171 mGLU~A 61 6.38 29.97 68.78 6.41 29.13 68.24 8.03 31.52 69.69 8.12 32.39 70.58 7.25 30.23 69.92 8.20 29.08 70.17 2 0 -6.90-999 ?-999 ?-999 ? O5 PG4 A 171s mASN~A 62 8.59 31.64 68.50 8.42 30.86 67.90 8.59 34.13 68.26 9.13 35.12 68.71 9.37 32.83 68.15 9.99 32.66 66.76 2 0 9.24-999 ?-999 ?-999 ? O1 PG4 A 171 mHIS~A 63 7.34 34.12 67.89 7.02 33.24 67.52 6.47 35.82 69.47 6.63 37.02 69.77 6.52 35.33 68.01 5.13 35.04 67.49 3 0 12.31-999 ?-999 ?-999 ? O5 PG4 A 171 mGLN~A 64 6.30 34.88 70.39 6.19 33.95 70.04 7.66 35.66 72.32 7.75 36.60 73.13 6.28 35.22 71.79 5.79 34.02 72.58 2 0 11.90-999 ?-999 ?-999 ? O5 PG4 A 171 mLEU~A 65 8.71 34.93 71.93 8.48 34.16 71.34 10.52 36.61 71.83 11.13 37.36 72.56 10.06 35.25 72.34 11.03 34.17 71.85 3 0 10.67-999 ?-999 ?-999 ? O1 PG4 A 171 mGLU~A 66 10.21 36.89 70.57 9.72 36.15 70.10 9.89 39.30 70.67 10.48 40.35 70.93 10.55 38.16 69.93 10.09 38.14 68.46 2 0 13.02-999 ?-999 ?-999 ? O1 PG4 A 171 mGLU~A 67 8.63 39.11 71.02 8.26 38.22 70.76 8.49 40.40 73.10 8.65 41.55 73.55 7.90 40.17 71.72 6.41 39.85 71.80 2 0 15.94-999 ?-999 ?-999 ? O1 PG4 A 171 mLEU~A 68 8.86 39.33 73.79 8.66 38.46 73.33 10.81 40.21 74.99 11.03 41.19 75.71 9.52 39.45 75.09 9.78 38.04 75.69 3 0 15.24-999 ?-999 ?-999 ? O1 PG4 A 171 mLEU~A 69 11.67 39.80 74.07 11.36 39.01 73.54 12.80 41.94 73.43 13.48 42.83 73.94 12.95 40.51 73.90 13.89 39.73 73.00 3 0 15.06-999 ?-999 ?-999 ? O1 PG4 A 171 mARG~A 70 11.90 42.16 72.49 11.41 41.34 72.19 11.18 44.47 73.06 11.52 45.66 73.08 11.69 43.53 71.97 10.73 43.56 70.78 2 0 17.94-999 ?-999 ?-999 ? O1 PG4 A 171 mSER~A 71 10.36 43.96 73.98 10.16 42.98 73.90 10.78 44.99 76.19 10.51 45.75 77.11 9.81 44.83 75.01 8.43 44.37 75.49 2 0 20.06-999 ?-999 ?-999 ? O1 PG4 A 171 mASN~A 72 11.91 44.31 76.17 12.03 43.73 75.36 14.23 44.91 76.80 15.22 44.80 77.50 12.86 44.42 77.26 12.97 43.07 77.99 2 0 19.73-999 ?-999 ?-999 ? O1 PG4 A 171 mGLY.A 73 14.29 45.48 75.61 13.44 45.42 75.08 16.61 45.17 74.91 17.75 45.47 75.22 15.49 46.14 75.15-999.99-999.99-999.99 1 0 20.69-999 ?-999 ?-999 ? O1 PG4 A 171 mVAL.A 74 16.29 44.00 74.37 15.31 43.88 74.21 17.34 42.85 72.50 16.29 42.66 71.87 17.30 43.00 74.03 16.99 41.63 74.69 3 0 17.53-999 ?-999 ?-999 ? O1 PG4 A 171 mGLY.A 75 18.53 42.96 71.91 19.28 43.22 72.52 18.36 41.29 70.11 18.72 40.35 70.82 18.69 42.71 70.50-999.99-999.99-999.99 1 0 17.15-999 ?-999 ?-999 ? O1 PG4 A 171 mLEU.A 76 17.72 41.15 68.97 17.55 42.01 68.50 18.43 39.21 67.66 19.21 39.91 67.03 17.31 39.85 68.47 16.04 39.98 67.61 3 0 14.25-999 ?-999 ?-999 ? O1 PG4 A 171 mPRO.A 77 18.53 37.88 67.69 17.88 37.40 68.29 19.11 37.19 65.40 17.94 37.06 65.11 19.53 37.21 66.88 19.55 35.78 67.44 3 0 12.70-999 ?-999 ?-999 ? O1 PG4 A 171 mPRO.A 78 20.04 37.28 64.49 20.97 37.38 64.85 19.33 35.81 62.67 20.04 34.89 63.01 19.70 37.23 63.08 20.98 37.68 62.39 3 0 14.37-999 ?-999 ?-999 ? O1 PG4 A 171 mALA.A 79 18.24 35.69 61.92 17.80 36.56 61.73 18.10 34.17 59.97 18.05 35.08 59.14 17.74 34.42 61.43 16.25 34.40 61.56 2 0 12.81-999 ?-999 ?-999 ? O1 PG4 A 171 mPRO.A 80 18.47 32.93 59.62 18.64 32.29 60.37 17.29 32.80 57.45 16.22 32.66 58.03 18.59 32.63 58.19 18.99 31.17 58.18 3 0 14.58-999 ?-999 ?-999 ? O1 PG4 A 171 mPRO.A 81 17.35 33.13 56.14 18.27 33.21 55.75 15.43 32.08 54.99 15.97 30.97 55.17 16.16 33.36 55.37 16.70 34.02 54.10 3 0 17.01-999 ?-999 ?-999 ? O1 PG4 A 171 mASP.A 82 14.24 32.26 54.45 13.92 33.20 54.46 14.20 30.63 52.65 15.21 31.23 52.20 13.47 31.17 53.90 12.05 31.67 53.60 2 0 17.16-999 ?-999 ?-999 ? C5 PG4 A 171 mARG.A 83 13.77 29.48 52.17 12.90 29.18 52.56 13.64 28.47 49.95 12.44 28.25 50.06 14.51 28.73 51.15 14.94 27.34 51.69 2 0 18.50-999 ?-999 ?-999 ? C5 PG4 A 171 mPRO.A 84 14.24 28.41 48.77 15.20 28.69 48.74 13.13 26.47 47.65 13.77 25.67 48.35 13.48 27.95 47.62 14.38 28.29 46.42 3 0 21.24-999 ?-999 ?-999 ? C5 PG4 A 171 mALA.A 85 12.12 26.08 46.88 11.59 26.82 46.46 12.92 24.03 45.85 13.60 24.70 45.06 11.82 24.69 46.69 10.47 24.55 45.95 2 0 21.17-999 ?-999 ?-999 ? C5 PG4 A 171 mALA.A 86 13.08 22.74 46.02 12.50 22.35 46.74 13.38 20.65 44.90 12.55 20.14 45.67 14.02 21.96 45.23 15.29 21.70 46.02 2 0 22.62-999 ?-999 ?-999 ? C5 PG4 A 171 mARG~A 87 13.75 20.08 43.76 14.34 20.65 43.18 14.23 17.70 44.05 15.46 17.76 43.95 13.33 18.73 43.42 13.32 18.50 41.88 2 0 24.43-999 ?-999 ?-999 ? C5 PG4 A 171 mLEU~A 88 13.60 16.75 44.70 12.61 16.83 44.66 15.28 14.95 44.52 16.40 14.68 44.95 14.27 15.68 45.39 13.21 14.68 45.86 3 0 23.17-999 ?-999 ?-999 ? C5 PG4 A 171 mASP~A 89 14.88 14.64 43.28 13.95 14.94 43.06 16.90 14.70 41.83 17.77 14.14 41.20 15.75 13.91 42.35 14.98 13.42 41.13 2 0 26.79-999 ?-999 ?-999 ? C5 PG4 A 171 mASP~A 90 16.93 16.00 42.06 16.12 16.37 42.51 19.14 16.89 42.73 20.18 17.49 42.51 18.07 16.80 41.67 17.62 18.21 41.37 2 0 27.38-999 ?-999 ?-999 ? C5 PG4 A 171 mILE~A 91 18.91 16.31 43.89 18.03 15.83 43.95 20.92 15.28 44.76 20.53 14.11 44.74 19.91 16.41 44.97 19.30 16.28 46.39 3 0 25.01-999 ?-999 ?-999 ? C5 PG4 A 171 mPRO~A 92 22.21 15.62 44.60 22.41 16.60 44.57 23.14 13.61 45.69 22.98 14.07 46.83 23.22 14.56 44.49 24.53 15.32 44.54 3 0 27.09-999 ?-999 ?-999 ? C4 PG4 A 171 mVAL~A 93 23.27 12.29 45.44 23.54 12.04 44.52 23.92 11.53 47.71 23.46 11.42 48.83 23.00 11.32 46.50 23.04 9.83 46.00 3 0 26.35-999 ?-999 ?-999 ? C4 PG4 A 171 mGLY~A 94 25.17 11.89 47.49 25.40 11.96 46.51 25.77 13.37 49.45 26.26 13.48 50.56 26.10 12.14 48.59-999.99-999.99-999.99 1 0 25.82-999 ?-999 ?-999 ? C4 PG4 A 171 mALA~A 95 24.91 14.24 48.93 24.60 14.00 48.01 23.08 15.27 50.28 22.59 16.15 51.01 24.45 15.45 49.65 24.44 16.64 48.69 2 0 23.05-999 ?-999 ?-999 ? C4 PG4 A 171 mARG.A 96 22.44 14.15 50.00 22.99 13.45 49.54 20.90 13.38 51.76 21.56 12.40 52.12 21.05 13.98 50.36 20.37 13.11 49.29 2 0 21.34-999 ?-999 ?-999 ? C4 PG4 A 171 mPHE.A 97 19.99 13.94 52.56 19.61 14.80 52.21 18.36 12.53 53.57 17.43 12.94 52.90 19.59 13.37 53.81 19.30 14.46 54.85 3 0 18.17-999 ?-999 ?-999 ? C4 PG4 A 171 mASN~A 98 18.41 11.34 54.11 19.24 11.18 54.65 16.36 10.41 55.06 16.69 10.80 56.17 17.36 10.37 53.93 18.00 8.98 53.81 2 0 18.81-999 ?-999 ?-999 ? C5 PG4 A 171 mASP~A 99 15.17 9.88 54.80 15.12 9.37 53.94 14.31 9.54 57.15 14.06 10.25 58.09 14.05 10.03 55.72 12.78 9.37 55.17 2 0 16.71-999 ?-999 ?-999 ? C5 PG4 A 171 mPRO~A 100 14.84 8.31 57.32 15.02 7.78 56.49 16.07 8.77 59.45 15.88 9.02 60.65 15.10 7.88 58.69 15.72 6.50 58.51 3 0 16.74-999 ?-999 ?-999 ? C5 PG4 A 171 mGLU~A 101 17.10 9.24 58.77 17.09 8.90 57.83 17.50 11.50 59.73 17.78 12.03 60.80 18.13 10.16 59.28 19.18 10.45 58.17 2 0 15.70-999 ?-999 ?-999 ? C4 PG4 A 171 mILE~A 102 16.65 12.03 58.87 16.54 11.48 58.04 15.07 13.15 60.35 15.08 13.99 61.24 15.95 13.30 59.10 15.09 13.69 57.90 3 0 12.91-999 ?-999 ?-999 ? C5 PG4 A 171 mSER~A 103 14.30 12.07 60.39 14.37 11.47 59.59 14.18 11.71 62.82 13.78 12.29 63.84 13.41 11.83 61.53 12.56 10.59 61.29 2 0 11.60-999 ?-999 ?-999 ? C5 PG4 A 171 mALA~A 104 15.28 10.96 62.81 15.44 10.51 61.93 16.65 12.15 64.49 16.62 12.40 65.68 16.16 10.81 63.98 17.33 9.93 63.64 2 0 12.27-999 ?-999 ?-999 ? C4 PG4 A 171 mTHR~A 105 17.11 12.99 63.57 17.09 12.64 62.64 16.55 15.15 64.58 16.78 15.75 65.65 17.58 14.30 63.91 18.09 15.01 62.65 2 0 10.02-999 ?-999 ?-999 ? C4 PG4 A 171 mILE~A 106 15.37 15.21 63.98 15.29 14.68 63.14 13.89 15.45 65.92 13.65 16.19 66.86 14.31 15.99 64.54 13.11 16.03 63.58 3 0 7.06-999 ?-999 ?-999 ? C4 PG4 A 171 mSER~A 107 13.82 14.13 66.05 14.02 13.63 65.21 14.50 13.90 68.45 14.12 14.25 69.59 13.49 13.53 67.36 13.40 12.01 67.23 2 0 8.26-999 ?-999 ?-999 ? C4 PG4 A 171 mMETA 108 15.78 13.91 68.09 15.94 13.61 67.15 16.69 15.81 69.38 16.87 16.19 70.53 16.85 14.33 69.00 18.21 14.10 68.33 2 0 8.19-999 ?-999 ?-999 ? C3 PG4 A 171 mASP~A 109 16.39 16.60 68.38 16.31 16.14 67.49 15.03 18.29 69.60 15.11 19.16 70.50 16.19 18.03 68.61 15.88 18.80 67.30 2 0 -4.77-999 ?-999 ?-999 ? C3 PG4 A 171s mVAL~A 110 13.93 17.58 69.41 13.97 16.96 68.62 13.15 17.31 71.71 12.77 17.99 72.67 12.79 17.70 70.27 11.56 16.91 69.73 3 0 4.07-999 ?-999 ?-999 ? C3 PG4 A 171 mALA~A 111 13.83 16.19 71.88 13.99 15.67 71.04 15.16 16.82 73.88 14.98 17.12 75.07 14.28 15.78 73.21 15.04 14.47 73.13 2 0 7.04-999 ?-999 ?-999 ? C3 PG4 A 171 mLYS~A 112 16.09 17.39 73.12 16.15 17.04 72.18 16.12 19.67 74.03 16.35 20.27 75.06 16.95 18.44 73.65 18.03 18.79 72.63 2 0 6.42-999 ?-999 ?-999 ? C3 PG4 A 171 mGLY~A 113 15.14 20.02 73.22 15.07 19.43 72.42 13.44 21.05 74.76 13.23 22.01 75.47 14.26 21.18 73.50-999.99-999.99-999.99 1 0 3.76-999 ?-999 ?-999 ? O2 PG4 A 171 mLEU~A 114 13.00 19.83 75.06 13.19 19.14 74.36 13.17 19.91 77.51 12.76 20.60 78.44 12.29 19.54 76.32 11.91 18.07 76.39 3 0 6.85-999 ?-999 ?-999 ? O2 PG4 A 171 mVAL~A 115 14.42 19.43 77.45 14.60 18.86 76.65 15.70 21.21 78.59 15.69 21.75 79.69 15.42 19.71 78.48 16.68 18.89 78.26 3 0 -6.43-999 ?-999 ?-999 ? O3 PG4 A 172s mTHR~A 116 15.90 21.87 77.47 15.88 21.31 76.64 14.96 24.07 78.13 15.15 24.95 78.97 16.13 23.31 77.50 16.42 23.85 76.11 2 0 6.34-999 ?-999 ?-999 ? C2 PG4 A 172 mCYH~A 117 13.73 23.73 77.76 13.68 23.06 77.02 12.63 24.16 79.94 12.42 25.13 80.67 12.58 24.33 78.42 11.27 23.78 77.88 2 0 7.63-999 ?-999 ?-999 ? C1 PG4 A 171 mSER~A 118 12.92 22.94 80.41 13.10 22.24 79.72 14.05 23.48 82.54 13.88 23.99 83.64 12.96 22.69 81.86 13.11 21.20 82.13 2 0 9.42-999 ?-999 ?-999 ? C5 PG4 A 172 mGLN~A 119 15.20 23.59 81.89 15.24 23.07 81.04 15.92 25.90 82.58 16.24 26.48 83.63 16.30 24.42 82.39 17.51 24.33 81.46 2 0 -7.28-999 ?-999 ?-999 ? C2 PG4 A 172s mILE~A 120 15.24 26.45 81.58 15.06 25.84 80.82 13.77 28.05 82.72 13.83 29.05 83.47 14.81 27.84 81.63 14.35 28.33 80.25 3 0 9.57-999 ?-999 ?-999 ? C2 PG4 A 172 mILE~A 121 12.82 27.13 82.83 12.87 26.40 82.15 12.49 27.28 85.22 12.19 28.15 86.05 11.80 27.25 83.88 10.80 26.07 83.85 3 0 12.58-999 ?-999 ?-999 ? C2 PG4 A 172 mGLY~A 122 13.40 26.34 85.43 13.54 25.72 84.66 14.94 27.46 87.11 15.08 27.73 88.30 14.13 26.25 86.69-999.99-999.99-999.99 1 0 11.40-999 ?-999 ?-999 ? C6 PG4 B 171 mGLN~A 123 15.47 28.21 86.15 15.23 27.92 85.22 15.53 30.65 86.43 16.07 31.71 86.76 16.32 29.35 86.44 17.47 29.41 85.42 2 0 11.85-999 ?-999 ?-999 ? C2 PG4 A 172 mSER~A 124 14.27 30.58 86.08 13.95 29.64 85.90 13.02 32.33 87.32 12.76 31.61 88.26 13.43 31.77 85.98 12.15 31.48 85.19 2 0 14.65-999 ?-999 ?-999 ? C2 PG4 A 172 mILE.A 125 13.00 33.65 87.40 13.38 34.09 86.59 11.27 35.18 88.14 10.30 35.26 88.89 12.48 34.39 88.55 13.56 35.31 89.14 3 0 17.60-999 ?-999 ?-999 ? C3 PG4 B 171 mARG~A 126 11.24 35.69 86.92 12.10 35.60 86.40 9.01 35.26 86.04 9.28 34.37 85.21 10.02 36.31 86.41 10.33 37.28 85.26 2 0 19.51-999 ?-999 ?-999 ? O1 PG4 A 171 mGLU~A 127 7.82 35.35 86.64 7.69 36.18 87.19 6.33 34.10 85.05 5.99 32.98 84.64 6.82 34.30 86.49 5.61 34.58 87.40 2 0 18.00-999 ?-999 ?-999 ? C3 PG4 B 171 mASP~A 128 6.28 35.18 84.28 6.55 36.03 84.74 6.80 34.24 82.04 6.36 33.59 81.09 5.85 35.09 82.89 5.67 36.49 82.27 2 0 16.80-999 ?-999 ?-999 ? O5 PG4 A 171 mVAL~A 129 8.09 34.34 82.33 8.28 34.97 83.08 8.94 32.06 81.91 8.88 31.24 81.00 9.12 33.56 81.59 10.56 34.05 81.88 3 0 14.57-999 ?-999 ?-999 ? O1 PG4 A 171 mALA~A 130 8.78 31.74 83.19 8.83 32.50 83.83 7.28 29.80 82.93 7.27 28.64 82.44 8.53 30.37 83.58 8.41 30.30 85.11 2 0 14.51-999 ?-999 ?-999 ? O5 PG4 A 171 mLEU~A 131 6.22 30.59 82.91 6.35 31.50 83.30 5.06 29.94 80.85 4.51 28.97 80.32 4.96 30.17 82.35 3.90 31.21 82.67 3 0 13.50-999 ?-999 ?-999 ? O5 PG4 A 171 mMETA 132 5.75 30.85 80.14 6.11 31.61 80.67 6.58 29.35 78.35 6.14 28.60 77.45 5.93 30.69 78.70 6.84 31.83 78.18 2 0 10.76-999 ?-999 ?-999 ? O5 PG4 A 171 mPHE~A 133 7.64 29.05 79.08 7.86 29.72 79.78 7.68 26.58 79.29 7.88 25.51 78.71 8.40 27.82 78.83 9.84 27.94 79.30 3 0 9.14-999 ?-999 ?-999 ? O5 PG4 A 171 mSER~A 134 6.84 26.71 80.32 6.85 27.60 80.78 5.01 25.27 79.58 4.78 24.11 79.28 6.00 25.59 80.70 5.32 25.82 82.06 2 0 10.12-999 ?-999 ?-999 ? O5 PG4 A 171 mGLN~A 135 4.45 26.28 78.94 4.70 27.18 79.29 4.31 25.43 76.65 3.85 24.48 76.01 3.55 26.06 77.82 2.91 27.41 77.38 2 0 8.30-999 ?-999 ?-999 ? O5 PG4 A 171 mPHE~A 136 5.51 25.95 76.34 5.81 26.73 76.89 6.57 23.91 75.53 6.53 23.09 74.61 6.30 25.40 75.27 7.66 26.09 75.11 3 0 4.90-999 ?-999 ?-999 ? O5 PG4 A 171 mHIS~A 137 6.92 23.59 76.76 6.95 24.36 77.39 6.02 21.32 76.91 6.16 20.24 76.32 7.22 22.21 77.14 7.70 22.15 78.59 3 0 6.35-999 ?-999 ?-999 ? O5 PG4 A 171 mMETA 138 4.83 21.76 77.32 4.85 22.67 77.75 3.37 20.62 75.66 3.02 19.50 75.29 3.62 20.95 77.13 2.43 21.65 77.76 2 0 7.59-999 ?-999 ?-999 ? C8 PG4 A 171 mALA~A 139 3.53 21.61 74.79 3.79 22.49 75.20 4.42 20.47 72.80 4.11 19.64 71.97 3.36 21.41 73.37 3.39 22.75 72.62 2 0 4.47-999 ?-999 ?-999 ? C8 PG4 A 171 mLYS~A 140 5.66 20.62 73.26 5.77 21.31 73.97 6.67 18.38 73.18 7.07 17.49 72.46 6.76 19.85 72.76 8.08 20.51 73.22 2 0 -3.78-999 ?-999 ?-999 ? C8 PG4 A 171s mVAL~A 141 6.12 18.11 74.36 5.90 18.90 74.92 4.95 16.08 73.75 5.17 14.92 73.33 5.89 16.74 74.76 5.30 16.67 76.17 3 0 7.44-999 ?-999 ?-999 ? C8 PG4 A 171 mGLN~A 142 3.88 16.79 73.36 3.77 17.70 73.76 3.59 15.97 71.04 3.42 14.90 70.45 2.95 16.20 72.40 1.66 17.01 72.27 2 0 7.56-999 ?-999 ?-999 ? C8 PG4 A 171 mPHE~A 143 4.38 16.92 70.57 4.47 17.72 71.16 6.03 15.63 69.31 6.14 14.84 68.38 5.04 16.79 69.28 5.76 18.12 68.87 3 0 -5.34-999 ?-999 ?-999 ? C7 PG4 A 171s mGLY~A 144 6.77 15.52 70.40 6.64 16.25 71.08 6.97 13.06 70.51 7.50 12.10 69.93 7.68 14.40 70.56-999.99-999.99-999.99 1 0 7.33-999 ?-999 ?-999 ? C6 PG4 A 171 mGLY~A 145 5.78 12.99 71.09 5.49 13.82 71.55 4.57 11.38 69.61 4.55 10.21 69.24 5.01 11.75 71.03-999.99-999.99-999.99 1 0 10.41-999 ?-999 ?-999 ? C7 PG4 A 171 mLYS~A 146 4.23 12.39 68.82 4.20 13.27 69.29 5.14 11.72 66.61 5.00 10.85 65.74 3.94 12.21 67.39 3.42 13.51 66.78 2 0 10.13-999 ?-999 ?-999 ? C6 PG4 A 171 mMETA 147 6.34 12.27 66.87 6.31 13.04 67.51 7.83 10.31 66.61 8.19 9.56 65.76 7.56 11.76 66.26 8.76 12.66 66.64 2 0 9.56-999 ?-999 ?-999 ? C6 PG4 A 171 mLEU~A 148 7.65 9.93 67.86 7.37 10.65 68.50 6.88 7.64 67.50 7.29 6.59 67.01 7.85 8.55 68.26 7.66 8.41 69.75 3 0 12.60-999 ?-999 ?-999 ? C6 PG4 A 171 mLYS~A 149 5.62 8.05 67.41 5.44 8.91 67.88 5.01 7.07 65.20 4.94 5.96 64.65 4.60 7.26 66.67 3.24 7.93 66.76 2 0 14.51-999 ?-999 ?-999 ? C6 PG4 A 171 mLEU~A 150 5.47 8.15 64.57 5.43 8.98 65.13 7.11 7.10 63.06 7.07 6.26 62.17 5.99 8.10 63.20 6.45 9.48 62.74 3 0 14.08-999 ?-999 ?-999 ? C6 PG4 A 171 mASN~A 151 8.13 7.20 63.92 8.03 7.92 64.61 8.88 4.88 64.02 9.42 3.98 63.34 9.27 6.34 63.84 10.32 6.76 64.86 2 0 15.31-999 ?-999 ?-999 ? C6 PG4 A 171 mLYS~A 152 7.96 4.63 64.93 7.68 5.43 65.45 6.69 2.81 63.85 6.99 1.72 63.37 7.42 3.28 65.11 6.50 3.20 66.33 2 0 18.09-999 ?-999 ?-999 ? C6 PG4 A 171 mASN~A 153 5.79 3.64 63.33 5.76 4.53 63.78 5.76 2.96 60.95 5.43 2.04 60.17 4.95 3.25 62.20 3.94 4.33 61.88 2 0 19.11-999 ?-999 ?-999 ? C6 PG4 A 171 mLYS~A 154 6.82 3.76 60.74 6.96 4.43 61.47 8.76 2.61 59.66 9.40 2.26 58.67 7.67 3.66 59.55 8.30 5.02 59.24 2 0 19.34-999 ?-999 ?-999 ? C6 PG4 A 171 mGLY.A 155 8.99 2.12 60.86 8.37 2.46 61.57 11.42 1.81 61.15 12.42 1.18 60.83 10.06 1.14 61.11-999.99-999.99-999.99 1 0 21.09-999 ?-999 ?-999 ? C5 PG4 A 171 mTRP.A 156 11.45 3.08 61.51 10.55 3.46 61.75 13.36 3.77 62.95 14.51 4.14 63.08 12.69 3.82 61.56 12.47 5.28 61.19 3 0 18.57-999 ?-999 ?-999 ? C5 PG4 A 171 mLEU.A 157 12.66 3.34 63.98 11.76 2.98 63.75 14.21 2.26 65.52 13.91 1.12 65.19 13.20 3.38 65.33 12.03 3.23 66.31 3 0 18.24-999 ?-999 ?-999 ? C5 PG4 A 171 mILE.A 158 15.40 2.57 66.01 15.53 3.55 66.17 16.18 1.07 67.71 16.17 1.87 68.62 16.42 1.55 66.28 17.83 2.15 66.21 3 0 20.61-999 ?-999 ?-999 ? C4 PG4 A 171 mPRO.A 159 15.97 -0.24 67.92 16.01 -0.84 67.12 16.95 -0.70 70.15 17.93 -1.25 69.76 15.69 -0.68 69.28 15.17 -2.11 69.10 3 0 21.47-999 ?-999 ?-999 ? C8 PG4 A 172 mPRO.A 160 16.90 -0.08 71.32 16.06 0.43 71.48 18.00 -1.49 73.00 17.06 -2.27 72.87 18.01 -0.17 72.25 17.76 0.99 73.21 3 0 18.51-999 ?-999 ?-999 ? O5 PG4 A 172 mPRO.A 161 19.04 -1.74 73.78 19.78 -1.07 73.75 17.79 -3.03 75.49 17.42 -2.05 76.10 19.03 -2.96 74.60 20.30 -2.86 75.45 3 0 19.11-999 ?-999 ?-999 ? O5 PG4 A 172 mLEU.A 162 17.16 -4.20 75.55 17.64 -4.96 75.11 16.03 -5.15 77.49 16.81 -6.09 77.54 15.88 -4.34 76.23 14.87 -5.03 75.30 3 0 20.37-999 ?-999 ?-999 ? O5 PG4 A 172 mHIS.A 163 15.27 -4.79 78.50 14.73 -3.97 78.32 14.43 -6.81 79.54 13.39 -6.77 78.89 15.24 -5.50 79.75 14.53 -4.63 80.79 3 0 20.53-999 ?-999 ?-999 ? O5 PG4 A 172 mSER.A 164 14.92 -7.91 80.08 15.83 -7.80 80.48 13.52 -9.38 81.44 14.24 -9.48 82.43 14.14 -9.17 80.08 15.03 -10.37 79.75 2 0 24.21-999 ?-999 ?-999 ? O5 PG4 A 172 mASP.A 165 12.19 -9.43 81.50 11.75 -9.35 80.60 11.24 -11.09 83.08 12.14 -11.77 83.62 11.45 -9.59 82.77 10.10 -8.86 82.72 2 0 23.83-999 ?-999 ?-999 ? O5 PG4 B 171 mASP.B 10 3.01 -4.61 77.61 2.82 -3.84 78.22 4.69 -5.69 75.97 5.30 -6.73 75.68 3.30 -5.77 76.68 2.18 -5.91 75.64 2 0 25.79-999 ?-999 ?-999 ? O5 PG4 B 171 mGLU.B 11 5.15 -4.47 75.69 4.50 -3.73 75.86 7.41 -4.21 76.38 7.01 -3.69 77.41 6.50 -4.25 75.16 6.62 -2.89 74.48 2 0 24.57-999 ?-999 ?-999 ? O5 PG4 B 171 mPRO.B 12 8.62 -4.73 76.29 8.84 -5.20 75.42 10.04 -3.18 77.55 10.14 -2.45 76.58 9.54 -4.60 77.40 10.73 -5.47 76.98 3 0 22.61-999 ?-999 ?-999 ? O5 PG4 B 171 mLEU.B 13 10.39 -2.84 78.78 10.08 -3.47 79.49 12.54 -1.78 78.43 13.11 -2.87 78.39 11.15 -1.63 79.03 11.26 -1.40 80.54 3 0 19.09-999 ?-999 ?-999 ? O5 PG4 B 171 mHIS~B 14 13.11 -0.66 77.97 12.53 0.15 77.95 15.44 -0.34 78.70 14.98 0.10 79.76 14.51 -0.69 77.55 14.77 0.12 76.28 3 0 17.36-999 ?-999 ?-999 ? O5 PG4 A 172 mTYR~B 15 16.74 -0.59 78.53 16.99 -0.91 77.61 17.67 1.00 80.20 17.80 1.18 81.41 17.69 -0.41 79.61 19.12 -0.73 79.13 3 0 15.14-999 ?-999 ?-999 ? O5 PG4 A 172 mGLY~B 16 17.51 1.99 79.34 17.44 1.72 78.39 16.23 3.68 80.63 16.31 4.40 81.63 17.46 3.37 79.80-999.99-999.99-999.99 1 0 11.90-999 ?-999 ?-999 ? O5 PG4 A 172 mGLU~B 17 15.09 3.14 80.21 15.16 2.66 79.34 14.02 2.65 82.37 13.64 3.22 83.38 13.84 3.28 81.00 12.67 2.66 80.24 2 0 13.57-999 ?-999 ?-999 ? O5 PG4 A 172 mVAL~B 18 14.55 1.44 82.43 14.78 1.00 81.56 15.77 1.61 84.58 15.50 1.92 85.73 14.76 0.83 83.74 15.23 -0.64 83.57 3 0 14.08-999 ?-999 ?-999 ? O5 PG4 B 171 mPHE~B 19 16.94 1.92 84.02 17.07 1.64 83.07 17.42 4.00 85.25 17.57 4.37 86.42 17.94 2.62 84.79 19.22 2.88 84.00 3 0 11.49-999 ?-999 ?-999 ? O5 PG4 A 172 mSER~B 20 16.78 4.74 84.36 16.65 4.31 83.47 15.20 6.07 85.77 15.19 6.90 86.68 16.34 6.08 84.74 15.97 6.90 83.50 2 0 9.41-999 ?-999 ?-999 ? O5 PG4 A 172 mTHR~B 21 14.25 5.17 85.62 14.33 4.59 84.81 13.65 4.54 87.96 13.25 5.05 89.00 13.17 5.06 86.60 11.98 4.23 86.08 2 0 8.96-999 ?-999 ?-999 ? O5 PG4 B 171 mTRP~B 22 14.55 3.57 87.96 14.79 3.23 87.05 15.91 4.17 89.92 15.79 4.35 91.12 15.13 3.06 89.20 16.02 1.85 88.89 3 0 9.75-999 ?-999 ?-999 ? O5 PG4 B 171 mTHR~B 23 16.66 4.93 89.14 16.63 4.67 88.18 16.59 7.19 90.16 16.88 7.74 91.21 17.46 6.04 89.66 18.43 6.54 88.60 2 0 7.63-999 ?-999 ?-999 ? O5 PG4 B 171 mTYR~B 24 15.50 7.51 89.45 15.39 6.99 88.60 13.87 8.15 91.24 13.76 8.96 92.18 14.57 8.54 89.91 13.55 8.78 88.79 3 0 -4.32-999 ?-999 ?-999 ? O5 PG4 B 171s mLEU~B 25 13.41 6.92 91.30 13.43 6.43 90.43 13.96 6.45 93.66 13.66 6.86 94.76 12.91 6.35 92.54 12.50 4.90 92.30 3 0 6.13-999 ?-999 ?-999 ? O5 PG4 B 171 mSER~B 26 15.19 6.03 93.38 15.32 5.69 92.45 16.49 7.51 94.87 16.69 7.76 96.05 16.25 6.07 94.39 17.54 5.47 93.82 2 0 7.28-999 ?-999 ?-999 ? O5 PG4 B 171 mTHR~B 27 16.49 8.44 93.94 16.39 8.10 93.01 15.51 10.34 95.15 15.77 11.03 96.14 16.64 9.83 94.24 16.75 10.65 92.95 2 0 -4.59-999 ?-999 ?-999 ? O5 PG4 B 171s mASN~B 28 14.27 10.06 94.80 14.20 9.59 93.92 13.30 9.81 97.03 13.07 10.49 98.03 13.13 10.40 95.63 11.84 9.84 95.04 2 0 -4.40-999 ?-999 ?-999 ? O5 PG4 B 171s mASN~B 29 13.69 8.56 97.12 13.85 8.11 96.24 14.87 8.68 99.28 14.65 8.91 100.48 13.85 7.92 98.44 14.27 6.44 98.34 2 0 8.04-999 ?-999 ?-999 ? O5 PG4 B 171 mGLY~B 30 16.00 9.07 98.68 16.08 8.77 97.73 16.54 11.23 99.77 16.84 11.70 100.88 17.01 9.86 99.35-999.99-999.99-999.99 1 0 8.65-999 ?-999 ?-999 ? O5 PG4 B 171 mLEU~B 31 15.78 11.87 98.90 15.62 11.37 98.05 14.16 13.18 100.30 14.09 14.09 101.12 15.25 13.20 99.20 14.73 13.85 97.92 3 0 -7.03-999 ?-999 ?-999 ? C7 PG4 B 171s mILE~B 32 13.34 12.14 100.31 13.46 11.52 99.54 13.06 11.85 102.72 12.71 12.54 103.66 12.35 11.94 101.38 11.51 10.70 101.16 3 0 8.82-999 ?-999 ?-999 ? C5 PG4 B 171 mASN~B 33 14.13 11.05 102.78 14.31 10.52 101.95 15.56 12.30 104.39 15.44 12.73 105.54 14.94 10.98 104.01 16.00 9.90 103.82 2 0 11.85-999 ?-999 ?-999 ? C5 PG4 B 171 mGLY~B 34 16.20 12.98 103.44 16.22 12.51 102.55 15.80 15.34 104.10 16.08 16.13 105.00 16.80 14.27 103.69-999.99-999.99-999.99 1 0 10.85-999 ?-999 ?-999 ? C5 PG4 B 171 mTYR~B 35 14.66 15.40 103.40 14.55 14.72 102.67 13.00 16.15 105.08 12.65 17.12 105.74 13.67 16.38 103.71 12.59 16.43 102.62 3 0 9.52-999 ?-999 ?-999 ? C5 PG4 B 171 mARG~B 36 12.79 14.90 105.44 12.97 14.24 104.71 13.31 15.18 107.85 12.89 15.77 108.86 12.33 14.56 106.82 12.20 13.04 106.97 2 0 12.56-999 ?-999 ?-999 ? C4 PG4 B 171 mSER~B 37 14.62 15.10 107.59 14.86 14.58 106.77 15.43 17.24 108.42 15.40 17.91 109.46 15.60 15.72 108.45 17.00 15.31 108.03 2 0 14.59-999 ?-999 ?-999 ? C5 PG4 B 171 mPHE~B 38 15.33 17.80 107.22 15.41 17.19 106.43 13.92 19.76 107.91 13.99 20.87 108.45 15.12 19.24 107.13 14.98 19.72 105.68 3 0 13.26-999 ?-999 ?-999 ? C5 PG4 B 171 mILE~B 39 12.83 19.01 107.91 12.91 18.20 107.34 12.06 19.64 110.16 11.65 20.65 110.76 11.64 19.39 108.70 10.54 18.37 108.58 3 0 13.99-999 ?-999 ?-999 ? C4 PG4 B 171 mASN~B 40 12.94 18.79 110.68 13.23 18.06 110.05 14.33 20.14 112.28 14.53 20.58 113.41 13.42 18.94 112.06 14.06 17.63 112.53 2 0 17.53-999 ?-999 ?-999 ? C4 PG4 B 171 mHIS~B 41 14.93 20.65 111.21 14.74 20.13 110.38 15.02 23.14 110.92 15.63 24.19 110.97 15.76 21.83 111.21 16.87 21.69 110.14 3 0 17.76-999 ?-999 ?-999 ? C4 PG4 B 171 mTHR.B 42 13.75 23.09 110.54 13.30 22.20 110.58 12.34 25.01 111.18 11.66 24.39 111.98 13.14 24.34 110.09 12.26 24.24 108.84 2 0 16.84-999 ?-999 ?-999 ? C4 PG4 B 171 mGLY.B 43 12.46 26.34 111.18 13.11 26.70 110.51 10.41 27.63 111.40 9.35 27.54 111.97 11.70 27.18 112.06-999.99-999.99-999.99 1 0 19.63-999 ?-999 ?-999 ? C4 PG4 B 171 mASP~B 44 10.53 28.10 110.17 11.44 27.98 109.78 8.36 27.73 109.03 8.64 26.78 108.29 9.40 28.72 109.46 9.94 29.45 108.22 2 0 18.20-999 ?-999 ?-999 ? C4 PG4 B 171 mGLU~B 45 7.13 27.92 109.46 6.96 28.77 109.97 5.57 26.93 107.74 5.08 25.93 107.28 6.12 26.92 109.18 5.03 26.93 110.23 2 0 17.25-999 ?-999 ?-999 ? C3 PG4 B 171 mASP~B 46 5.68 28.05 107.03 6.01 28.84 107.54 6.33 27.19 104.82 5.94 26.39 103.98 5.33 28.06 105.61 5.38 29.50 105.08 2 0 15.20-999 ?-999 ?-999 ? C3 PG4 B 171 mLEU~B 47 7.61 27.29 105.16 7.81 28.02 105.81 8.31 24.92 104.96 8.27 24.05 104.11 8.61 26.36 104.60 10.02 26.76 105.00 3 0 12.97-999 ?-999 ?-999 ? C3 PG4 B 171 mLYS~B 48 8.06 24.66 106.25 8.08 25.44 106.88 6.62 22.65 105.92 6.65 21.48 105.54 7.78 23.29 106.67 7.53 23.26 108.21 2 0 13.17-999 ?-999 ?-999 ? C4 PG4 B 171 mASN~B 49 5.56 23.44 105.71 5.63 24.37 106.06 4.74 22.53 103.59 4.25 21.55 103.09 4.41 22.92 105.03 3.28 23.93 105.05 2 0 12.29-999 ?-999 ?-999 ? C3 PG4 B 171 mLEU~B 50 5.57 23.33 102.94 5.84 24.16 103.42 6.91 21.70 101.56 6.81 20.90 100.65 6.01 22.95 101.59 6.65 24.14 100.91 3 0 8.92-999 ?-999 ?-999 ? C3 PG4 B 171 mILE~B 51 7.75 21.51 102.57 7.77 22.24 103.25 7.66 19.11 102.79 7.89 18.06 102.15 8.56 20.29 102.63 9.60 20.35 103.75 3 0 8.24-999 ?-999 ?-999 ? C4 PG4 B 171 mASP~B 52 6.62 19.25 103.64 6.56 20.12 104.11 5.03 17.81 102.47 4.85 16.68 102.14 5.67 18.15 103.81 4.53 18.50 104.76 2 0 9.81-999 ?-999 ?-999 ? C3 PG4 B 171 mGLU~B 53 4.64 18.83 101.72 4.83 19.72 102.13 4.94 17.93 99.44 4.53 17.03 98.74 4.00 18.65 100.41 3.59 19.99 99.86 2 0 7.55-999 ?-999 ?-999 ? C3 PG4 B 171 mALA~B 54 6.22 18.32 99.46 6.43 19.05 100.10 7.35 16.19 98.90 7.39 15.35 98.01 7.20 17.68 98.59 8.57 18.38 98.68 2 0 4.40-999 ?-999 ?-999 ? C3 PG4 B 171 mILE~B 55 7.44 15.88 100.19 7.42 16.66 100.82 6.37 13.66 100.18 6.53 12.54 99.64 7.55 14.50 100.63 7.73 14.37 102.18 3 0 7.04-999 ?-999 ?-999 ? C4 PG4 B 171 mGLN~B 56 5.16 14.18 100.41 5.15 15.08 100.85 3.93 13.23 98.51 3.55 12.17 98.04 3.95 13.44 100.02 2.66 14.15 100.48 2 0 8.37-999 ?-999 ?-999 ? C1 PG4 B 171 mALA~B 57 4.31 14.24 97.76 4.58 15.05 98.28 5.30 13.09 95.81 4.96 12.30 94.95 4.33 14.15 96.29 4.66 15.48 95.70 2 0 -4.77-999 ?-999 ?-999 ? C1 PG4 B 171s mMETB 58 6.48 13.03 96.40 6.63 13.74 97.09 7.00 10.67 96.45 7.25 9.69 95.74 7.47 12.02 96.05 8.81 12.36 96.67 2 0 5.70-999 ?-999 ?-999 ? C1 PG4 B 171 mGLN~B 59 6.30 10.57 97.57 6.21 11.42 98.10 4.70 8.80 96.97 4.65 7.59 96.69 5.73 9.29 97.96 5.15 9.34 99.36 2 0 8.90-999 ?-999 ?-999 ? C1 PG4 B 171 mASP~B 60 3.89 9.71 96.47 4.03 10.62 96.85 3.53 8.92 94.16 3.10 7.93 93.54 2.89 9.40 95.45 2.05 10.63 95.13 2 0 8.23-999 ?-999 ?-999 ? C1 PG4 B 171 mGLU~B 61 4.57 9.62 93.72 4.77 10.45 94.25 5.93 7.76 92.80 5.93 6.89 91.93 5.34 9.17 92.55 6.44 10.15 92.24 2 0 -7.01-999 ?-999 ?-999 ? O1 PG4 B 171s mASN~B 62 6.45 7.56 94.00 6.35 8.31 94.65 6.19 5.11 94.25 6.61 4.04 93.83 7.12 6.31 94.31 7.78 6.39 95.66 2 0 9.34-999 ?-999 ?-999 ? O5 PG4 B 171 mHIS~B 63 4.92 5.27 94.62 4.70 6.17 94.99 3.84 3.73 93.05 3.85 2.52 92.75 3.95 4.19 94.50 2.60 4.65 95.04 3 0 12.48-999 ?-999 ?-999 ? O1 PG4 B 171 mGLN~B 64 3.78 4.69 92.13 3.81 5.61 92.51 4.95 3.75 90.18 4.91 2.80 89.40 3.69 4.40 90.71 3.39 5.67 89.92 2 0 11.98-999 ?-999 ?-999 ? O1 PG4 B 171 mLEU~B 65 6.10 4.26 90.61 6.01 5.00 91.28 7.68 2.35 90.63 8.21 1.50 89.93 7.38 3.75 90.11 8.50 4.70 90.54 3 0 10.84-999 ?-999 ?-999 ? O5 PG4 B 171 mGLU~B 66 7.41 2.14 91.91 7.06 2.93 92.40 6.72 -0.20 91.83 7.17 -1.28 91.52 7.61 0.83 92.51 7.40 0.89 94.04 2 0 13.09-999 ?-999 ?-999 ? O5 PG4 B 171 mGLU~B 67 5.49 0.17 91.51 5.23 1.09 91.81 5.15 -1.05 89.39 5.18 -2.23 88.97 4.63 -0.73 90.78 3.19 -0.23 90.76 2 0 15.99-999 ?-999 ?-999 ? O5 PG4 B 171 mLEU~B 68 5.62 -0.03 88.68 5.56 0.87 89.12 7.37 -1.18 87.39 7.45 -2.15 86.63 6.18 -0.25 87.34 6.62 1.08 86.73 3 0 15.36-999 ?-999 ?-999 ? O5 PG4 B 171 mLEU~B 69 8.29 -0.90 88.30 8.09 -0.11 88.89 9.18 -3.15 88.86 9.69 -4.08 88.30 9.48 -1.71 88.40 10.54 -1.05 89.28 3 0 15.09-999 ?-999 ?-999 ? O5 PG4 B 171 mARG~B 70 8.36 -3.29 89.88 8.00 -2.43 90.24 7.33 -5.43 89.33 7.66 -6.57 89.13 8.02 -4.61 90.41 7.12 -4.45 91.65 2 0 17.96-999 ?-999 ?-999 ? O5 PG4 B 171 mSER~B 71 6.40 -4.83 88.61 6.25 -3.87 88.87 6.52 -5.93 86.37 6.12 -6.76 85.57 5.66 -5.52 87.56 4.51 -4.65 87.06 2 0 20.07-999 ?-999 ?-999 ? O5 PG4 B 171 mASN~B 72 7.72 -5.38 86.27 7.94 -4.75 87.02 9.85 -6.41 85.63 10.80 -6.51 84.89 8.62 -5.66 85.18 8.98 -4.36 84.44 2 0 19.86-999 ?-999 ?-999 ? O5 PG4 B 171 mGLY.B 73 9.83 -6.92 86.85 9.03 -6.69 87.40 12.17 -7.07 87.71 13.23 -7.67 87.60 10.90 -7.76 87.34-999.99-999.99-999.99 1 0 20.80-999 ?-999 ?-999 ? O5 PG4 B 171 mVAL.B 74 12.08 -5.82 88.13 11.16 -5.44 88.15 13.26 -4.91 90.04 12.25 -4.49 90.62 13.26 -5.07 88.53 13.30 -3.70 87.84 3 0 17.74-999 ?-999 ?-999 ? O5 PG4 B 171 mGLY.B 75 14.38 -5.24 90.68 15.11 -5.59 90.08 14.52 -3.64 92.54 15.13 -2.79 91.89 14.54 -5.10 92.10-999.99-999.99-999.99 1 0 17.49-999 ?-999 ?-999 ? O5 PG4 B 171 mLEU.B 76 13.80 -3.36 93.64 13.43 -4.15 94.11 14.78 -1.53 94.91 15.41 -2.33 95.60 13.60 -2.00 94.08 12.32 -1.88 94.91 3 0 14.56-999 ?-999 ?-999 ? O5 PG4 B 171 mPRO.B 77 15.07 -0.23 94.87 14.57 0.31 94.20 15.48 0.43 97.18 14.28 0.34 97.37 16.07 0.33 95.76 16.32 1.72 95.18 3 0 12.90-999 ?-999 ?-999 ? O5 PG4 B 171 mPRO.B 78 16.34 0.59 98.19 17.29 0.69 97.93 14.97 1.77 99.93 15.29 2.91 99.57 15.84 0.59 99.57 17.12 0.61 100.41 3 0 14.30-999 ?-999 ?-999 ? O5 PG4 B 171 mALA.B 79 13.87 1.48 100.62 13.78 0.52 100.86 13.48 3.39 102.06 14.45 3.02 102.71 12.89 2.49 100.99 11.63 1.85 101.52 2 0 13.55-999 ?-999 ?-999 ? O5 PG4 B 171 mPRO.B 80 12.92 4.60 102.20 12.19 4.84 101.57 13.21 4.88 104.66 12.11 4.41 104.94 13.44 5.47 103.26 12.59 6.74 103.10 3 0 13.43-999 ?-999 ?-999 ? O5 PG4 B 171 mPRO.B 81 14.22 4.97 105.53 15.07 5.36 105.19 13.11 5.45 107.70 12.97 6.60 107.37 14.00 4.50 106.89 15.41 4.49 107.46 3 0 17.07-999 ?-999 ?-999 ? O5 PG4 B 171 mASP.B 82 12.51 4.95 108.76 12.61 3.96 108.87 12.70 6.84 110.31 13.88 6.55 110.54 11.76 5.82 109.67 11.04 4.99 110.75 2 0 19.10-999 ?-999 ?-999 ? C4 PG4 B 171 mARG.B 83 12.22 8.06 110.47 11.27 8.18 110.18 12.20 9.82 112.07 11.10 10.27 111.78 13.06 9.11 111.03 13.55 10.06 109.94 2 0 18.57-999 ?-999 ?-999 ? C4 PG4 B 171 mPRO.B 84 12.67 9.86 113.32 13.56 9.42 113.46 11.90 12.01 114.28 12.73 12.58 113.59 11.91 10.50 114.39 12.69 10.09 115.65 3 0 20.89-999 ?-999 ?-999 ? C4 PG4 B 171 mALA.B 85 10.98 12.66 114.97 10.27 12.07 115.37 12.19 14.48 116.01 12.73 13.63 116.74 11.01 14.10 115.12 9.67 14.65 115.72 2 0 20.57-999 ?-999 ?-999 ? C4 PG4 B 171 mALA.B 86 12.55 15.76 115.96 12.05 16.27 115.26 13.13 17.78 117.12 12.36 18.38 116.36 13.56 16.36 116.82 14.96 16.33 116.15 2 0 22.25-999 ?-999 ?-999 ? C4 PG4 B 171 mARG~B 87 13.58 18.31 118.25 14.10 17.67 118.82 14.44 20.52 118.04 15.62 20.25 118.22 13.37 19.69 118.65 13.44 19.86 120.19 2 0 24.06-999 ?-999 ?-999 ? C4 PG4 B 171 mLEU~B 88 14.02 21.56 117.33 13.02 21.64 117.31 15.98 23.00 117.60 17.14 23.09 117.28 14.91 22.48 116.64 14.06 23.67 116.07 3 0 22.77-999 ?-999 ?-999 ? C4 PG4 B 171 mASP~B 89 15.55 23.34 118.82 14.59 23.14 119.00 17.47 23.01 120.37 18.44 23.47 120.96 16.43 23.95 119.80 15.61 24.57 120.95 2 0 26.44-999 ?-999 ?-999 ? C4 PG4 B 171 mASP~B 90 17.28 21.70 120.20 16.40 21.47 119.79 19.42 20.56 119.57 20.40 19.86 119.83 18.28 20.70 120.59 17.65 19.32 120.78 2 0 27.14-999 ?-999 ?-999 ? C4 PG4 B 171 mILE~B 91 19.30 21.15 118.38 18.46 21.69 118.28 21.46 21.97 117.60 21.23 23.17 117.63 20.34 21.00 117.35 19.78 21.20 115.91 3 0 24.69-999 ?-999 ?-999 ? C5 PG4 B 171 mPRO~B 92 22.69 21.48 117.78 22.78 20.49 117.80 23.91 23.36 116.75 23.64 22.94 115.62 23.79 22.43 117.95 25.02 21.53 118.03 3 0 26.80-999 ?-999 ?-999 ? C5 PG4 B 171 mVAL~B 93 24.29 24.61 116.99 24.63 24.77 117.92 25.04 25.28 114.72 24.62 25.54 113.59 24.19 25.62 115.95 24.50 27.03 116.49 3 0 26.09-999 ?-999 ?-999 ? C5 PG4 B 171 mGLY~B 94 26.20 24.69 114.92 26.43 24.51 115.88 26.57 23.17 112.96 27.11 22.91 111.87 27.06 24.33 113.79-999.99-999.99-999.99 1 0 25.49-999 ?-999 ?-999 ? C5 PG4 B 171 mALA~B 95 25.57 22.45 113.46 25.26 22.77 114.36 23.65 21.66 112.13 23.04 20.83 111.48 24.98 21.30 112.77 24.82 20.16 113.73 2 0 22.80-999 ?-999 ?-999 ? C5 PG4 B 171 mARG~B 96 23.17 22.86 112.39 23.80 23.45 112.90 21.79 23.91 110.59 22.53 24.86 110.28 21.83 23.28 111.97 21.25 24.26 112.99 2 0 20.98-999 ?-999 ?-999 ? C5 PG4 B 171 mPHE.B 97 20.89 23.42 109.75 20.44 22.58 110.06 19.53 25.09 108.72 18.48 24.79 109.29 20.61 24.06 108.48 20.15 23.02 107.46 3 0 17.81-999 ?-999 ?-999 ? C5 PG4 B 171 mASN~B 98 19.78 26.31 108.29 20.66 26.41 107.85 17.80 27.45 107.34 17.96 26.81 106.31 18.84 27.40 108.47 19.65 28.67 108.62 2 0 18.61-999 ?-999 ?-999 ? C5 PG4 B 171 mASP~B 99 16.74 28.20 107.55 16.80 28.78 108.37 15.98 28.57 105.22 15.62 27.88 104.27 15.58 28.18 106.65 14.44 29.06 107.19 2 0 16.64-999 ?-999 ?-999 ? C4 PG4 B 171 mPRO~B 100 16.68 29.68 105.04 16.90 30.23 105.84 17.94 28.94 102.96 17.78 28.71 101.75 17.05 29.97 103.64 17.70 31.33 103.70 3 0 16.47-999 ?-999 ?-999 ? C5 PG4 B 171 mGLU~B 101 18.82 28.30 103.72 18.84 28.62 104.66 18.82 26.03 102.76 19.07 25.41 101.72 19.67 27.25 103.20 20.68 26.81 104.27 2 0 15.30-999 ?-999 ?-999 ? C5 PG4 B 171 mILE~B 102 17.86 25.68 103.60 17.82 26.24 104.42 16.18 24.89 102.06 16.03 24.07 101.14 16.97 24.57 103.32 16.01 24.32 104.50 3 0 12.52-999 ?-999 ?-999 ? C5 PG4 B 171 mSER~B 103 15.62 26.10 102.02 15.81 26.67 102.82 15.62 26.48 99.59 15.12 26.01 98.57 14.81 26.51 100.88 14.22 27.88 101.11 2 0 11.61-999 ?-999 ?-999 ? C4 PG4 B 171 mALA~B 104 16.86 26.97 99.64 17.14 27.31 100.54 17.97 25.58 97.94 17.95 25.33 96.72 17.71 26.98 98.43 19.01 27.71 98.68 2 0 11.90-999 ?-999 ?-999 ? C5 PG4 B 171 mTHR~B 105 18.23 24.66 98.86 18.22 25.02 99.79 17.33 22.61 97.81 17.44 22.05 96.74 18.51 23.28 98.52 18.88 22.51 99.77 2 0 9.68-999 ?-999 ?-999 ? C5 PG4 B 171 mILE~B 106 16.16 22.79 98.39 16.18 23.33 99.23 14.65 22.82 96.48 14.30 22.11 95.52 14.95 22.21 97.83 13.74 22.37 98.78 3 0 6.66-999 ?-999 ?-999 ? C5 PG4 B 171 mSER~B 107 14.80 24.14 96.39 15.09 24.59 97.24 15.48 24.26 94.00 15.06 24.02 92.85 14.56 24.84 95.11 14.78 26.33 95.27 2 0 7.98-999 ?-999 ?-999 ? C5 PG4 B 171 mMETB 108 16.73 24.05 94.34 16.94 24.32 95.28 17.34 22.02 93.02 17.43 21.63 91.86 17.69 23.46 93.39 19.12 23.53 93.94 2 0 7.91-999 ?-999 ?-999 ? C6 PG4 B 171 mASP~B 109 16.90 21.26 94.01 16.90 21.72 94.90 15.28 19.84 92.82 15.24 19.02 91.92 16.47 19.89 93.79 16.04 19.23 95.11 2 0 -4.43-999 ?-999 ?-999 ? C6 PG4 B 171s mVAL~B 110 14.32 20.76 92.97 14.48 21.40 93.72 13.57 21.17 90.69 13.11 20.55 89.75 13.15 20.81 92.12 12.07 21.75 92.68 3 0 4.00-999 ?-999 ?-999 ? C6 PG4 B 171 mALA~B 111 14.44 22.17 90.54 14.72 22.62 91.38 15.60 21.34 88.52 15.39 21.11 87.33 14.92 22.54 89.21 15.89 23.74 89.33 2 0 7.10-999 ?-999 ?-999 ? C6 PG4 B 171 mLYS~B 112 16.47 20.63 89.25 16.62 20.96 90.18 16.14 18.37 88.33 16.24 17.75 87.27 17.14 19.47 88.67 18.25 18.96 89.57 2 0 6.57-999 ?-999 ?-999 ? C6 PG4 B 171 mGLY~B 113 15.14 18.17 89.19 15.18 18.74 90.00 13.25 17.47 87.68 12.85 16.56 86.97 14.10 17.19 88.92-999.99-999.99-999.99 1 0 3.88-999 ?-999 ?-999 ? O4 PG4 B 171 mLEU~B 114 13.00 18.74 87.37 13.28 19.40 88.06 13.13 18.60 84.94 12.58 17.98 84.01 12.35 19.09 86.13 12.19 20.60 86.00 3 0 6.95-999 ?-999 ?-999 ? O4 PG4 B 171 mVAL~B 115 14.44 18.85 84.98 14.74 19.35 85.79 15.37 16.92 83.80 15.22 16.40 82.69 15.34 18.43 83.92 16.73 19.03 84.10 3 0 6.39-999 ?-999 ?-999 ? C5 PG4 A 172 mTHR~B 116 15.44 16.20 84.92 15.48 16.74 85.76 14.15 14.20 84.24 14.19 13.29 83.42 15.44 14.74 84.89 15.64 14.15 86.28 2 0 6.44-999 ?-999 ?-999 ? C8 PG4 A 172 mCYH~B 117 13.01 14.76 84.64 13.10 15.45 85.35 11.79 14.50 82.50 11.41 13.60 81.76 11.73 14.34 84.01 10.51 15.07 84.53 2 0 7.58-999 ?-999 ?-999 ? C8 PG4 B 171 mSER~B 118 12.29 15.63 82.01 12.61 16.27 82.70 13.28 14.91 79.88 13.02 14.45 78.76 12.34 15.88 80.56 12.75 17.33 80.29 2 0 9.45-999 ?-999 ?-999 ? C5 PG4 A 172 mGLN~B 119 14.39 14.62 80.53 14.52 15.12 81.39 14.69 12.27 79.86 14.84 11.62 78.81 15.32 13.65 80.01 16.55 13.55 80.90 2 0 -7.35-999 ?-999 ?-999 ? C8 PG4 A 172s mILE~B 120 13.93 11.87 80.85 13.85 12.54 81.59 12.20 10.49 79.72 12.10 9.51 78.99 13.28 10.54 80.81 12.76 10.14 82.17 3 0 9.59-999 ?-999 ?-999 ? C8 PG4 A 172 mILE~B 121 11.42 11.54 79.61 11.58 12.24 80.30 11.05 11.46 77.21 10.61 10.65 76.38 10.41 11.65 78.56 9.65 13.03 78.62 3 0 12.63-999 ?-999 ?-999 ? C8 PG4 A 172 mGLY~B 122 12.13 12.20 76.97 12.46 12.73 77.75 13.41 10.90 75.27 13.48 10.60 74.09 12.76 12.21 75.66-999.99-999.99-999.99 1 0 11.30-999 ?-999 ?-999 ? C3 PG4 A 171 mGLN~B 123 13.82 10.08 76.23 13.68 10.44 77.15 13.45 7.61 76.01 13.80 6.49 75.69 14.44 8.77 75.94 15.62 8.50 76.87 2 0 11.86-999 ?-999 ?-999 ? C8 PG4 A 172 mSER.B 124 12.20 7.89 76.40 12.03 8.85 76.57 10.69 6.34 75.18 10.49 7.13 74.26 11.18 6.85 76.55 9.99 7.40 77.32 2 0 14.63-999 ?-999 ?-999 ? C8 PG4 A 172 mILE.B 125 10.52 5.03 75.06 10.88 4.49 75.83 8.50 3.91 74.32 7.53 4.02 73.55 9.87 4.43 73.91 10.76 3.34 73.28 3 0 17.79-999 ?-999 ?-999 ? O3 PG4 A 171 mARG~B 126 8.39 3.39 75.54 9.26 3.33 76.04 6.30 4.18 76.46 6.73 5.01 77.25 7.11 2.97 76.09 7.28 1.95 77.24 2 0 19.43-999 ?-999 ?-999 ? O5 PG4 B 171 mGLU~B 127 5.10 4.29 75.88 4.82 3.49 75.33 3.86 5.69 77.46 3.63 6.83 77.87 4.27 5.45 76.02 3.04 5.35 75.11 2 0 17.95-999 ?-999 ?-999 ? C7 PG4 A 171 mASP~B 128 3.72 4.62 78.24 3.95 3.75 77.79 4.33 5.43 80.48 4.03 6.18 81.39 3.27 4.74 79.62 2.88 3.38 80.20 2 0 16.66-999 ?-999 ?-999 ? O1 PG4 B 171 mVAL~B 129 5.59 5.18 80.17 5.69 4.51 79.43 6.75 7.32 80.51 6.85 8.15 81.39 6.70 5.84 80.85 8.06 5.09 80.58 3 0 14.52-999 ?-999 ?-999 ? O5 PG4 B 171 mALA~B 130 6.61 7.65 79.23 6.53 6.87 78.61 5.41 9.77 79.48 5.55 10.89 79.97 6.57 9.06 78.81 6.48 9.13 77.31 2 0 14.35-999 ?-999 ?-999 ? O1 PG4 B 171 mLEU~B 131 4.24 9.13 79.51 4.24 8.23 79.08 3.31 10.04 81.62 3.00 11.12 82.13 3.07 9.74 80.14 1.82 8.86 79.98 3 0 13.46-999 ?-999 ?-999 ? O1 PG4 B 171 mMETB 132 3.84 9.05 82.33 4.06 8.23 81.80 4.94 10.38 84.07 4.62 11.20 84.93 4.07 9.16 83.77 4.70 7.85 84.27 2 0 10.62-999 ?-999 ?-999 ? O1 PG4 B 171 mPHE~B 133 6.03 10.50 83.33 6.13 9.82 82.60 6.53 12.90 83.11 6.92 13.90 83.68 6.99 11.56 83.60 8.38 11.15 83.14 3 0 8.93-999 ?-999 ?-999 ? O1 PG4 B 171 mSER~B 134 5.68 12.93 82.08 5.55 12.05 81.62 4.13 14.68 82.81 4.10 15.86 83.11 5.01 14.16 81.68 4.18 13.94 80.41 2 0 10.11-999 ?-999 ?-999 ? O1 PG4 B 171 mGLN~B 135 3.40 13.78 83.47 3.48 12.84 83.12 3.43 14.63 85.81 3.15 15.64 86.47 2.58 14.18 84.61 1.60 13.03 84.98 2 0 8.35-999 ?-999 ?-999 ? O1 PG4 B 171 mPHE~B 136 4.51 13.88 86.11 4.64 13.05 85.58 5.99 15.71 86.91 6.12 16.51 87.81 5.41 14.31 87.18 6.60 13.36 87.35 3 0 4.83-999 ?-999 ?-999 ? O1 PG4 B 171 mHIS~B 137 6.36 15.95 85.64 6.20 15.20 85.01 5.99 18.38 85.57 6.38 19.41 86.17 6.95 17.24 85.25 7.30 17.23 83.78 3 0 6.33-999 ?-999 ?-999 ? O1 PG4 B 171 mMETB 138 4.73 18.24 85.15 4.54 17.38 84.67 3.59 19.56 86.90 3.53 20.71 87.32 3.73 19.27 85.39 2.40 18.86 84.73 2 0 7.72-999 ?-999 ?-999 ? O1 PG4 B 171 mALA~B 139 3.57 18.50 87.71 3.60 17.61 87.24 4.71 19.43 89.69 4.57 20.28 90.58 3.50 18.66 89.15 3.39 17.27 89.84 2 0 4.92-999 ?-999 ?-999 ? C1 PG4 B 171 mLYS~B 140 5.90 19.13 89.18 5.89 18.40 88.49 7.16 21.27 89.18 7.69 22.15 89.88 7.11 19.82 89.63 8.38 19.10 89.13 2 0 -4.28-999 ?-999 ?-999 ? C2 PG4 B 171s mVAL~B 141 6.62 21.57 88.00 6.35 20.79 87.45 5.63 23.74 88.62 6.03 24.82 89.07 6.46 22.95 87.59 5.84 23.08 86.17 3 0 7.83-999 ?-999 ?-999 ? C2 PG4 B 171 mGLN~B 142 4.49 23.18 89.01 4.30 22.30 88.59 4.33 24.03 91.34 4.31 25.09 91.95 3.63 23.87 89.99 2.34 23.12 90.17 2 0 7.80-999 ?-999 ?-999 ? C2 PG4 B 171 mPHE~B 143 5.00 22.97 91.79 4.98 22.16 91.19 6.84 24.00 93.07 7.03 24.74 94.03 5.69 23.01 93.06 6.18 21.62 93.48 3 0 -5.61-999 ?-999 ?-999 ? C2 PG4 B 171s mGLY~B 144 7.63 24.04 91.99 7.39 23.38 91.27 8.22 26.38 91.93 8.87 27.27 92.44 8.74 24.97 91.90-999.99-999.99-999.99 1 0 7.18-999 ?-999 ?-999 ? C3 PG4 B 171 mGLY~B 145 7.04 26.56 91.37 6.65 25.73 90.96 6.04 28.34 92.79 6.29 29.51 93.15 6.40 27.88 91.38-999.99-999.99-999.99 1 0 10.35-999 ?-999 ?-999 ? C3 PG4 B 171 mLYS~B 146 5.57 27.41 93.61 5.40 26.53 93.17 6.58 27.97 95.80 6.63 28.89 96.63 5.31 27.68 95.03 4.56 26.52 95.69 2 0 10.00-999 ?-999 ?-999 ? C3 PG4 B 171 mMETB 147 7.65 27.22 95.54 7.51 26.46 94.90 9.42 28.92 95.82 9.96 29.61 96.68 8.92 27.53 96.17 10.00 26.50 95.81 2 0 9.43-999 ?-999 ?-999 ? C3 PG4 B 171 mLEU~B 148 9.28 29.31 94.55 8.86 28.64 93.94 8.96 31.73 94.89 9.54 32.68 95.39 9.75 30.64 94.15 9.60 30.82 92.64 3 0 12.43-999 ?-999 ?-999 ? C3 PG4 B 171 mLYS~B 149 7.66 31.57 94.96 7.33 30.75 94.49 7.21 32.63 97.15 7.32 33.72 97.69 6.79 32.51 95.67 5.33 32.08 95.54 2 0 14.42-999 ?-999 ?-999 ? C3 PG4 B 171 mLEU~B 150 7.47 31.48 97.80 7.30 30.66 97.26 9.24 32.22 99.32 9.42 33.09 100.18 7.96 31.46 99.20 8.20 30.01 99.64 3 0 14.04-999 ?-999 ?-999 ? C3 PG4 B 171 mASN~B 151 10.20 31.92 98.45 9.97 31.22 97.77 11.38 34.10 98.37 12.10 34.86 99.01 11.49 32.57 98.54 12.49 31.96 97.55 2 0 15.14-999 ?-999 ?-999 ? C3 PG4 B 171 mLYS~B 152 10.49 34.53 97.49 10.02 33.80 97.00 9.56 36.57 98.50 10.03 37.58 99.00 10.26 35.97 97.29 9.41 36.23 96.07 2 0 18.01-999 ?-999 ?-999 ? C3 PG4 B 171 mASN~B 153 8.48 35.94 98.97 8.25 35.13 98.43 8.58 36.52 101.40 8.42 37.45 102.20 7.73 36.40 100.15 6.56 35.46 100.46 2 0 19.03-999 ?-999 ?-999 ? C3 PG4 B 171 mLYS~B 154 9.51 35.58 101.60 9.58 34.92 100.85 11.57 36.41 102.72 12.31 36.53 103.70 10.33 35.56 102.80 10.71 34.12 103.12 2 0 19.27-999 ?-999 ?-999 ? C3 PG4 B 171 mGLY.B 155 11.84 36.97 101.55 11.14 36.82 100.85 14.30 36.85 101.27 15.37 37.33 101.58 13.06 37.72 101.32-999.99-999.99-999.99 1 0 21.10-999 ?-999 ?-999 ? C3 PG4 B 171 mTRP.B 156 14.18 35.58 100.89 13.25 35.31 100.64 16.05 34.67 99.50 17.15 34.20 99.41 15.33 34.70 100.85 14.92 33.28 101.19 3 0 18.69-999 ?-999 ?-999 ? C4 PG4 B 171 mLEU.B 157 15.42 35.15 98.45 14.52 35.54 98.65 17.18 36.05 97.02 17.06 37.20 97.38 16.00 35.09 97.12 14.93 35.49 96.13 3 0 18.44-999 ?-999 ?-999 ? C5 PG4 B 171 mILE.B 158 18.32 35.60 96.52 18.32 34.62 96.35 19.36 36.92 94.80 19.42 36.12 93.92 19.46 36.48 96.25 20.78 35.73 96.35 3 0 20.64-999 ?-999 ?-999 ? C5 PG4 B 171 mPRO.B 159 19.24 38.21 94.56 19.28 38.82 95.35 20.34 38.40 92.32 21.43 38.78 92.75 19.06 38.60 93.15 18.67 40.08 93.24 3 0 21.54-999 ?-999 ?-999 ? C1 PG4 A 172 mPRO.B 160 20.21 37.77 91.17 19.30 37.39 91.00 21.51 38.93 89.47 20.72 39.84 89.60 21.33 37.66 90.26 20.92 36.51 89.36 3 0 18.55-999 ?-999 ?-999 ? C1 PG4 A 172 mPRO.B 161 22.58 39.02 88.69 23.22 38.25 88.74 21.53 40.44 86.95 20.97 39.51 86.37 22.75 40.19 87.83 23.97 39.86 86.98 3 0 19.10-999 ?-999 ?-999 ? C1 PG4 A 172 mLEU.B 162 21.08 41.68 86.95 21.66 42.33 87.44 20.10 42.82 84.99 20.99 43.66 84.92 19.83 42.06 86.28 18.98 42.98 87.15 3 0 20.36-999 ?-999 ?-999 ? C1 PG4 A 172 mHIS.B 163 19.31 42.54 83.99 18.67 41.80 84.16 18.81 44.67 82.96 17.84 44.81 83.69 19.39 43.27 82.75 18.58 42.53 81.71 3 0 20.48-999 ?-999 ?-999 ? C1 PG4 A 172 mSER.B 164 19.35 45.67 82.32 20.22 45.45 81.88 18.00 47.22 80.91 18.69 47.29 79.89 18.68 46.99 82.27 19.71 48.08 82.56 2 0 24.09-999 ?-999 ?-999 ? C1 PG4 A 172 mASP.B 165 16.68 47.40 80.90 16.24 47.39 81.81 16.43 48.88 79.04 15.98 49.24 77.95 15.95 47.58 79.67 14.43 47.62 79.95 2 0 23.45-999 ?-999 ?-999 ? O1 PG4 A 171