HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 08-OCT-09 3K6E COMPND CBS DOMAIN PROTEIN; COMPND 3 CHAIN: A, B; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOCOCCUS PNEUMONIAE; SOURCE 3 ORGANISM_TAXID: 1313; SOURCE 4 STRAIN: TIGR4; SOURCE 5 ATCC: BAA-334; SOURCE 6 GENE: SP_1878; SOURCE 7 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 8 EXPRESSION_SYSTEM_TAXID: 469008; SOURCE 9 EXPRESSION_SYSTEM_STRAIN: BL21(DE3) DERIVATIVE; SOURCE 10 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 11 EXPRESSION_SYSTEM_PLASMID: PMCSG7 AUTHOR C.CHANG,M.ZHOU,J.ABDULLAH,A.JOACHIMIAK,MIDWEST CENTER FOR STRUCTURAL AUTHOR 2 GENOMICS (MCSG) HET MSE A 1 8 HET MSE A 43 8 HET MSE A 67 8 HET MSE A 71 8 HET MSE A 80 8 HET MSE A 88 8 HET MSE B 1 8 HET MSE B 43 8 HET MSE B 67 8 HET MSE B 71 8 HET MSE B 80 8 HET MSE B 88 8 HET PO4 A 154 5 SITE 1 AC1 4 TYR A 45 LYS A 131 ASP B 111 ARG B 130 mSER.A -2 10.80 26.99 83.12 9.95 27.15 83.61 13.36 27.08 83.23 13.78 26.29 84.09 12.08 26.74 82.37 12.06 27.42 80.95 2 0 33.12-999 ?-999 ?-999 ? O4 PO4 A 154 mASN~A -1 13.97 28.23 82.97 13.61 28.70 82.16 14.59 30.14 84.28 15.06 31.20 83.84 15.04 28.76 83.78 16.36 28.81 82.99 2 0 30.71-999 ?-999 ?-999 ? O3 PO4 A 154 mALA~A 0 13.63 30.10 85.19 13.34 29.18 85.44 14.00 31.89 86.82 13.96 33.08 87.10 13.06 31.30 85.76 11.71 30.99 86.35 2 0 30.52-999 ?-999 ?-999 ? O4 PO4 A 154 mMETA 1 14.84 31.03 87.39 14.74 30.09 87.06 16.83 32.40 87.81 17.18 33.42 88.42 15.81 31.45 88.39 16.49 30.23 89.01 2 0 30.72-999 ?-999 ?-999 ? O4 PO4 A 154 mILE~A 2 17.32 32.08 86.61 17.00 31.21 86.24 17.50 34.28 85.56 18.04 35.37 85.75 18.23 32.98 85.93 19.02 32.27 84.75 3 0 27.30-999 ?-999 ?-999 ? O3 PO4 A 154 mALA~A 3 16.24 34.17 85.13 15.90 33.23 85.04 15.31 36.27 86.00 15.29 37.47 85.85 15.44 35.35 84.80 14.08 34.97 84.29 2 0 26.01-999 ?-999 ?-999 ? O4 PO4 A 154 mLYS~A 4 15.25 35.70 87.21 15.32 34.71 87.22 16.40 37.22 88.74 16.44 38.43 88.93 15.09 36.54 88.39 14.59 35.75 89.59 2 0 27.49-999 ?-999 ?-999 ? O4 PO4 A 154 mGLU~A 5 17.46 36.44 88.79 17.28 35.47 88.66 19.16 38.12 88.08 19.82 39.08 88.47 18.78 36.98 89.04 19.79 35.85 89.00 2 0 26.29-999 ?-999 ?-999 ? O4 PO4 A 154 mPHE~A 6 18.70 38.02 86.82 18.15 37.20 86.67 18.28 40.33 86.08 18.90 41.40 86.12 18.99 39.01 85.78 18.56 38.47 84.41 3 0 22.67-999 ?-999 ?-999 ? O4 PO4 A 154 mGLU~A 7 16.98 40.24 86.30 16.60 39.32 86.17 16.78 42.07 87.89 17.03 43.26 87.86 16.18 41.38 86.68 14.78 40.90 86.99 2 0 22.97-999 ?-999 ?-999 ? O4 PO4 A 154 mTHR~A 8 17.02 41.31 88.97 16.81 40.34 88.87 18.81 42.67 89.81 18.91 43.87 90.06 17.55 41.92 90.19 17.80 40.93 91.33 2 0 24.73-999 ?-999 ?-999 ? O4 PO4 A 154 mPHE~A 9 19.74 41.98 89.15 19.53 41.02 88.99 20.68 43.94 87.97 21.31 44.95 88.23 20.96 42.65 88.74 21.89 41.74 87.92 3 0 22.11-999 ?-999 ?-999 ? O4 PO4 A 154 mLEU~A 10 19.73 43.89 87.04 19.27 43.00 86.97 18.86 46.22 86.98 19.24 47.36 86.74 19.40 45.05 86.19 18.38 44.67 85.13 3 0 19.37-999 ?-999 ?-999 ? O4 PO4 A 154 mLEU~A 11 17.95 45.93 87.91 17.68 44.97 87.96 18.57 47.70 89.45 18.46 48.89 89.73 17.42 46.96 88.78 16.49 46.36 89.82 3 0 21.55-999 ?-999 ?-999 ? O4 PO4 A 154 mGLY~A 12 19.67 46.98 89.67 19.57 46.02 89.41 21.52 48.64 89.42 22.26 49.46 89.96 20.89 47.53 90.24-999.99-999.99-999.99 1 0 21.43-999 ?-999 ?-999 ? O4 PO4 A 154 mGLN~A 13 21.23 48.66 88.11 20.67 47.89 87.82 20.59 50.69 86.71 20.89 51.73 86.11 21.69 49.73 87.19 22.39 49.15 85.96 2 0 17.79-999 ?-999 ?-999 ? O4 PO4 A 154 mGLU~A 14 19.33 50.32 86.96 19.28 49.47 87.48 18.31 52.60 86.44 17.87 53.22 85.46 18.13 51.07 86.54 16.94 50.75 87.45 2 0 18.29-999 ?-999 ?-999 ? O4 PO4 A 154 mGLU~A 15 18.94 53.19 87.45 19.23 52.56 88.18 20.13 55.04 86.34 19.79 55.91 85.53 19.18 54.63 87.47 19.68 55.10 88.85 2 0 18.43-999 ?-999 ?-999 ? O4 PO4 A 154 mTHR~A 16 21.28 54.37 86.24 21.38 53.65 86.92 21.97 54.23 83.77 22.87 54.08 82.93 22.29 54.71 85.21 23.71 54.24 85.62 2 0 15.21-999 ?-999 ?-999 ? O4 PO4 A 154 mPHE.A 17 20.69 53.99 83.48 20.08 54.04 84.27 19.95 54.94 81.32 20.09 54.95 80.10 20.25 53.68 82.12 18.99 52.84 82.15 3 0 13.17-999 ?-999 ?-999 ? O4 PO4 A 154 mLEU^A 18 19.53 55.99 82.02 19.56 55.87 83.01 20.20 58.08 80.88 21.13 58.39 81.63 19.06 57.21 81.39 18.18 58.01 82.34 3 0 13.57-999 ?-999 ?-999 ? O4 PO4 A 154 mTHR^A 19 20.13 58.43 79.60 19.49 57.88 79.06 19.99 60.74 79.04 18.94 60.73 78.40 20.91 59.52 79.04 21.41 59.21 77.61 2 0 11.58-999 ?-999 ?-999 ? O4 PO4 A 154 mPRO^A 20 20.38 61.78 79.78 21.29 61.72 80.21 19.52 63.79 78.69 20.56 63.94 78.05 19.50 62.92 79.93 20.11 63.69 81.12 3 0 14.75-999 ?-999 ?-999 ? O4 PO4 A 154 mALA.A 21 18.36 64.36 78.38 17.60 64.08 78.96 19.35 66.31 77.31 19.96 66.64 76.29 18.22 65.30 77.28 16.87 66.00 77.38 2 0 15.61-999 ?-999 ?-999 ? O4 PO4 A 154 mLYS.A 22 19.65 66.76 78.52 19.21 66.24 79.25 21.85 67.79 78.04 22.24 68.72 77.33 20.53 67.89 78.79 20.72 68.05 80.30 2 0 17.23-999 ?-999 ?-999 ? O4 PO4 A 154 mASN.A 23 22.52 66.65 78.17 22.17 66.02 78.86 23.35 65.32 76.32 23.33 64.13 76.66 23.69 66.40 77.34 24.93 66.07 78.19 2 0 14.39-999 ?-999 ?-999 ? O4 PO4 A 154 mLEU.A 24 23.08 65.75 75.08 23.29 66.72 74.95 21.96 65.75 72.89 21.03 66.52 73.12 22.54 64.90 74.02 21.43 64.02 74.59 3 0 12.13-999 ?-999 ?-999 ? O4 PO4 A 154 mALA.A 25 22.47 65.56 71.67 23.19 64.86 71.65 20.68 65.84 69.88 20.52 64.65 69.58 22.02 66.31 70.50 23.11 66.32 69.45 2 0 13.18-999 ?-999 ?-999 ? O4 PO4 A 154 mVAL.A 26 19.75 66.78 69.67 20.05 67.69 69.96 18.09 67.41 67.86 18.92 68.23 67.46 18.41 66.51 69.08 17.29 66.71 70.11 3 0 15.11-999 ?-999 ?-999 ? O4 PO4 A 154 mLEU^A 27 16.88 67.27 67.28 16.34 66.52 67.66 15.06 68.74 66.46 14.28 68.15 67.22 16.43 68.15 66.18 16.38 67.41 64.85 3 0 18.08-999 ?-999 ?-999 ? O4 PO4 A 154 mILE^A 28 14.76 69.88 65.84 15.49 70.22 65.24 12.51 70.22 64.91 12.89 70.23 63.73 13.48 70.57 66.03 13.67 72.11 66.06 3 0 21.73-999 ?-999 ?-999 ? O4 PO4 A 154 mASP.A 29 11.26 69.93 65.24 11.02 70.14 66.19 10.06 70.16 63.00 9.49 69.66 62.05 10.33 69.34 64.25 9.00 68.89 64.87 2 0 23.37-999 ?-999 ?-999 ? O4 PO4 A 154 mTHR.A 30 10.48 71.42 63.00 11.00 71.70 63.81 11.39 72.83 61.14 11.24 73.65 60.24 10.16 72.29 61.88 9.21 73.45 62.29 2 0 26.21-999 ?-999 ?-999 ? O4 PO4 A 154 mHIS.A 31 12.59 72.39 61.50 12.61 71.82 62.32 13.80 71.95 59.44 13.40 70.80 59.44 13.77 72.77 60.71 15.07 72.69 61.51 3 0 24.76-999 ?-999 ?-999 ? O1 PO4 A 154 mASN~A 32 14.25 72.56 58.35 14.68 73.45 58.51 14.90 70.66 56.90 15.89 70.43 57.60 14.11 71.95 57.04 14.47 72.94 55.95 2 0 25.49-999 ?-999 ?-999 ? O2 PO4 A 154 mALA~A 33 14.44 69.81 55.97 13.71 70.19 55.41 16.36 68.41 55.22 17.14 67.51 55.54 14.97 68.46 55.82 14.02 67.61 55.01 2 0 23.21-999 ?-999 ?-999 ? O2 PO4 A 154 mASP~A 34 16.68 69.36 54.34 15.94 70.01 54.15 19.04 69.64 54.80 20.02 68.91 54.88 17.99 69.43 53.73 18.05 70.57 52.74 2 0 23.72-999 ?-999 ?-999 ? O2 PO4 A 154 mHIS~A 35 18.79 70.62 55.64 17.93 71.10 55.48 19.83 69.86 57.72 20.91 69.61 58.22 19.70 70.98 56.69 19.21 72.24 57.34 3 0 22.27-999 ?-999 ?-999 ? O1 PO4 A 154 mALA~A 36 18.76 69.18 58.06 17.90 69.46 57.63 19.77 66.99 58.43 20.48 66.29 59.16 18.92 68.12 59.02 17.60 67.61 59.48 2 0 19.33-999 ?-999 ?-999 ? O1 PO4 A 154 mTHR~A 37 19.71 66.81 57.11 19.08 67.43 56.63 21.97 66.08 56.70 22.76 65.20 57.03 20.51 65.77 56.45 20.29 65.74 54.93 2 0 18.58-999 ?-999 ?-999 ? O2 PO4 A 154 mLEU~A 38 22.28 67.36 56.54 21.52 67.93 56.24 24.06 67.63 58.20 25.24 67.43 58.45 23.60 67.89 56.77 23.63 69.39 56.46 3 0 18.71-999 ?-999 ?-999 ? O1 PO4 A 154 mLEU~A 39 23.10 67.62 59.12 22.17 67.70 58.76 23.65 66.07 60.94 24.59 65.76 61.65 23.43 67.50 60.52 22.37 68.17 61.38 3 0 16.19-999 ?-999 ?-999 ? O1 PO4 A 154 mLEU~A 40 22.77 65.19 60.47 22.05 65.60 59.91 24.03 63.07 60.06 24.42 61.97 60.45 22.86 63.77 60.76 21.57 63.08 60.36 3 0 13.56-999 ?-999 ?-999 ? O1 PO4 A 154 mSER~A 41 24.57 63.69 59.02 24.12 64.55 58.75 27.01 63.51 59.10 28.08 63.03 58.75 25.72 63.15 58.34 25.75 63.58 56.86 2 0 13.99-999 ?-999 ?-999 ? O1 PO4 A 154 mGLN.A 42 26.89 64.33 60.14 25.95 64.67 60.27 27.88 64.10 62.38 28.89 63.77 62.99 28.01 64.70 61.00 28.15 66.22 61.16 2 0 12.84-999 ?-999 ?-999 ? O1 PO4 A 154 mMETA 43 26.65 63.99 62.88 25.93 64.31 62.27 26.84 61.99 64.30 26.77 61.23 63.33 26.40 63.43 64.20 24.93 63.53 64.57 2 0 10.18-999 ?-999 ?-999 ? O1 PO4 A 154 mTHR.A 44 27.28 61.62 65.49 27.26 62.34 66.19 26.61 59.25 65.71 26.80 58.13 65.26 27.74 60.27 65.75 28.42 60.17 67.11 2 0 6.49-999 ?-999 ?-999 ? O1 PO4 A 154 mTYR.A 45 25.44 59.65 66.18 25.38 60.62 66.43 23.49 58.67 65.09 23.40 59.66 64.37 24.35 58.71 66.33 23.59 58.95 67.64 3 0 -6.42-999 ?-999 ?-999 ? O1 PO4 A 154s mTHR.A 46 22.91 57.50 64.82 23.01 56.83 65.55 20.72 57.63 63.61 20.11 57.84 62.57 22.20 57.24 63.56 22.32 55.74 63.11 2 0 7.98-999 ?-999 ?-999 ? O2 PO4 A 154 mARG^A 47 20.15 57.71 64.82 20.71 57.33 65.55 18.89 59.33 66.12 19.64 59.15 67.07 18.81 58.29 65.02 17.77 57.27 65.48 2 0 10.28-999 ?-999 ?-999 ? O2 PO4 A 154 mVAL^A 48 18.10 60.40 66.00 17.60 60.45 65.14 16.57 61.72 67.44 15.64 61.56 66.65 18.01 61.41 67.05 18.72 62.74 66.68 3 0 12.03-999 ?-999 ?-999 ? O4 PO4 A 154 mPRO^A 49 16.38 62.15 68.69 17.18 62.12 69.28 14.67 63.85 68.34 15.50 64.70 68.02 15.08 62.64 69.13 15.33 63.06 70.57 3 0 14.61-999 ?-999 ?-999 ? O4 PO4 A 154 mVAL^A 50 13.40 63.93 67.99 12.86 63.10 68.16 11.97 65.78 68.46 11.16 65.10 69.09 12.87 65.15 67.41 12.14 64.88 66.10 3 0 18.10-999 ?-999 ?-999 ? O4 PO4 A 154 mVAL^A 51 12.14 67.08 68.66 12.73 67.53 67.99 11.15 69.21 69.40 11.84 69.80 68.56 11.51 67.77 69.79 12.41 67.71 71.04 3 0 20.56-999 ?-999 ?-999 ? O4 PO4 A 154 mTHR.A 52 10.06 69.75 69.97 9.62 69.15 70.64 9.78 72.12 70.73 10.93 72.42 71.08 9.58 71.09 69.61 8.11 71.11 69.06 2 0 24.25-999 ?-999 ?-999 ? O4 PO4 A 154 mASP.A 53 8.66 72.64 71.25 7.84 72.24 70.86 7.16 73.96 72.72 6.63 73.29 73.61 8.60 73.69 72.29 9.23 75.02 71.81 2 0 26.82-999 ?-999 ?-999 ? O4 PO4 A 154 mLYS.A 55 9.76 72.26 74.92 9.32 73.08 75.29 9.44 69.84 74.31 9.76 68.77 74.84 10.39 71.05 74.39 11.61 70.67 75.25 2 0 23.91-999 ?-999 ?-999 ? O4 PO4 A 154 mGLN.A 56 8.29 70.00 73.67 8.11 70.93 73.34 8.13 67.79 72.74 8.83 68.08 71.78 7.39 68.87 73.50 6.12 69.26 72.76 2 0 24.57-999 ?-999 ?-999 ? O4 PO4 A 154 mPHE^A 57 7.99 66.53 73.18 7.47 66.44 74.03 7.75 65.19 71.18 6.51 65.15 71.24 8.57 65.41 72.44 8.64 64.12 73.27 3 0 21.54-999 ?-999 ?-999 ? O4 PO4 A 154 mVAL^A 58 8.44 65.04 70.05 9.43 65.04 70.16 7.81 63.43 68.28 6.76 62.83 68.03 7.76 64.88 68.77 8.31 65.85 67.68 3 0 21.97-999 ?-999 ?-999 ? O4 PO4 A 154 mGLY^A 59 9.02 62.89 68.14 9.75 63.51 68.44 10.78 61.28 67.44 11.59 61.92 68.12 9.28 61.54 67.60-999.99-999.99-999.99 1 0 19.29-999 ?-999 ?-999 ? O4 PO4 A 154 mTHR^A 60 11.16 60.35 66.56 10.41 59.81 66.18 12.77 60.23 64.73 11.79 60.13 63.98 12.58 60.17 66.22 13.21 58.85 66.72 2 0 16.10-999 ?-999 ?-999 ? O4 PO4 A 154 mILE^A 61 14.02 60.38 64.30 14.70 60.38 65.04 15.82 60.19 62.61 16.70 60.49 63.41 14.35 60.52 62.89 14.03 61.95 62.37 3 0 15.68-999 ?-999 ?-999 ? O2 PO4 A 154 mGLY^A 62 16.07 59.54 61.47 15.27 59.22 60.97 17.51 59.50 59.53 16.47 59.68 58.88 17.44 59.35 61.03-999.99-999.99-999.99 1 0 13.60-999 ?-999 ?-999 ? O2 PO4 A 154 mLEU~A 63 18.72 59.40 59.01 19.45 59.34 59.68 18.08 58.39 56.80 17.62 58.68 55.71 18.94 59.40 57.56 20.43 59.19 57.23 3 0 14.91-999 ?-999 ?-999 ? O2 PO4 A 154 mARG~A 64 17.84 57.22 57.37 18.35 57.07 58.22 15.62 56.96 56.44 15.13 56.86 55.33 16.92 56.25 56.79 16.64 55.17 57.83 2 0 15.71-999 ?-999 ?-999 ? O2 PO4 A 154 mASP~A 65 15.08 57.71 57.38 15.63 57.82 58.21 13.82 59.40 56.18 12.91 59.57 55.39 13.78 58.31 57.18 13.29 58.94 58.47 2 0 18.13-999 ?-999 ?-999 ? O2 PO4 A 154 mILE~A 66 14.87 60.20 56.26 15.57 59.93 56.92 15.22 60.89 54.02 14.45 61.19 53.13 14.96 61.37 55.43 16.04 62.33 55.96 3 0 19.54-999 ?-999 ?-999 ? O2 PO4 A 154 mMETA 67 16.26 60.10 53.85 16.80 59.94 54.68 15.46 58.74 51.95 15.38 58.66 50.75 16.57 59.52 52.55 17.82 58.64 52.62 2 0 20.04-999 ?-999 ?-999 ? O2 PO4 A 154 mALA~A 68 14.61 58.13 52.77 14.77 58.27 53.75 12.54 58.26 51.60 12.15 58.10 50.45 13.53 57.31 52.22 12.87 56.47 53.30 2 0 21.49-999 ?-999 ?-999 ? O2 PO4 A 154 mTYR~A 69 12.17 59.27 52.36 12.58 59.26 53.28 11.73 60.89 50.59 10.94 61.02 49.66 11.26 60.29 51.91 11.14 61.36 52.98 3 0 23.92-999 ?-999 ?-999 ? O2 PO4 A 154 mGLN~A 70 13.00 61.22 50.49 13.56 60.97 51.28 13.61 60.97 48.13 13.35 61.39 47.02 13.51 61.88 49.33 14.85 62.47 49.63 2 0 24.97-999 ?-999 ?-999 ? O2 PO4 A 154 mMETA 71 13.99 59.72 48.36 14.24 59.53 49.31 12.67 58.33 46.81 12.41 58.30 45.62 14.05 58.75 47.29 14.76 57.52 47.81 2 0 25.42-999 ?-999 ?-999 ? O2 PO4 A 154 mGLU~A 72 11.80 58.00 47.75 12.12 58.18 48.68 9.62 58.39 46.68 8.69 57.98 45.98 10.48 57.43 47.47 9.75 57.09 48.76 2 0 27.04-999 ?-999 ?-999 ? O2 PO4 A 154 mHIS~A 73 9.93 59.67 46.82 10.70 59.84 47.43 10.06 61.46 45.12 9.55 62.33 44.43 9.21 60.73 46.16 8.70 61.72 47.20 3 0 29.50-999 ?-999 ?-999 ? O2 PO4 A 154 mASP~A 74 11.34 61.11 45.02 11.63 60.43 45.70 12.22 63.19 44.01 11.77 63.79 43.06 12.25 61.67 44.01 11.91 61.10 42.62 2 0 29.78-999 ?-999 ?-999 ? O2 PO4 A 154 mLEU.A 75 12.70 63.81 45.06 13.05 63.20 45.77 14.12 65.86 45.18 15.02 65.34 45.83 12.71 65.27 45.16 11.94 65.75 46.38 3 0 29.89-999 ?-999 ?-999 ? O2 PO4 A 154 mSER~A 76 14.29 66.96 44.45 13.47 67.23 43.94 16.00 68.21 45.78 15.20 68.24 46.72 15.54 67.71 44.40 15.31 68.92 43.51 2 0 30.35-999 ?-999 ?-999 ? O2 PO4 A 154 mGLN~A 77 17.27 68.62 45.90 17.84 68.47 45.09 16.99 70.53 47.43 16.82 70.91 48.58 17.75 69.24 47.14 19.25 69.52 47.09 2 0 28.25-999 ?-999 ?-999 ? O2 PO4 A 154 mGLU~A 78 16.52 71.17 46.37 16.78 70.74 45.51 14.38 72.17 47.15 14.00 72.98 47.99 15.72 72.39 46.44 15.51 72.96 45.04 2 0 31.32-999 ?-999 ?-999 ? O2 PO4 A 154 mILE~A 79 13.67 71.08 46.83 14.08 70.51 46.13 12.60 70.45 48.96 11.77 70.78 49.81 12.38 70.79 47.49 11.58 69.61 46.86 3 0 31.05-999 ?-999 ?-999 ? O2 PO4 A 154 mMETA 80 13.71 69.77 49.24 14.30 69.64 48.44 14.36 70.39 51.54 14.04 70.32 52.72 14.04 69.27 50.58 15.24 68.35 50.48 2 0 27.33-999 ?-999 ?-999 ? O2 PO4 A 154 mALA~A 81 14.99 71.44 51.02 15.19 71.36 50.04 14.11 73.44 52.18 14.17 74.40 52.95 15.34 72.61 51.82 16.39 73.43 51.09 2 0 28.12-999 ?-999 ?-999 ? O2 PO4 A 154 mASP~A 82 12.97 73.04 51.64 13.05 72.22 51.08 10.69 72.77 52.43 9.49 72.98 52.31 11.72 73.73 51.84 11.23 74.29 50.50 2 0 30.55-999 ?-999 ?-999 ? O2 PO4 A 154 mTHR~A 83 11.18 71.72 53.07 12.18 71.71 53.15 10.62 70.48 55.08 11.74 70.14 55.45 10.32 70.67 53.59 10.48 69.35 52.78 2 0 28.40-999 ?-999 ?-999 ? O2 PO4 A 154 mASP~A 84 9.61 70.74 55.92 8.83 71.18 55.48 9.94 68.94 57.58 9.51 68.06 56.83 9.64 70.41 57.35 8.30 70.72 58.04 2 0 26.89-999 ?-999 ?-999 ? O2 PO4 A 154 mILE~A 85 10.66 68.69 58.66 10.90 69.51 59.19 9.95 66.50 59.58 9.98 65.28 59.46 11.07 67.37 59.04 12.18 67.51 60.03 3 0 23.35-999 ?-999 ?-999 ? O2 PO4 A 154 mVAL~A 86 8.94 67.12 60.17 9.00 68.12 60.15 7.27 65.41 59.76 6.73 64.38 60.13 7.87 66.39 60.78 6.81 67.34 61.35 3 0 24.52-999 ?-999 ?-999 ? O2 PO4 A 154 mHIS~A 87 7.42 65.72 58.49 7.99 66.53 58.32 7.41 63.54 57.28 6.85 62.68 56.60 6.79 64.92 57.45 6.74 65.69 56.13 3 0 25.86-999 ?-999 ?-999 ? O2 PO4 A 154 mMETA 88 8.56 63.34 57.90 8.89 64.13 58.42 9.66 61.58 59.20 10.05 60.43 59.36 9.26 62.07 57.82 10.48 62.19 56.92 2 0 22.54-999 ?-999 ?-999 ? O2 PO4 A 154 mTHR~A 89 9.57 62.44 60.20 9.38 63.39 59.93 8.90 60.78 61.80 7.72 60.77 61.50 9.76 62.02 61.56 9.37 63.12 62.53 2 0 20.60-999 ?-999 ?-999 ? O2 PO4 A 154 mLYS~A 90 9.54 59.73 62.28 10.54 59.79 62.24 8.24 59.05 64.16 8.94 59.27 65.14 8.84 58.59 62.83 9.78 57.41 62.99 2 0 19.80-999 ?-999 ?-999 ? O2 PO4 A 154 mTHR~A 91 6.93 59.25 64.14 6.51 59.05 63.26 5.52 58.54 65.96 5.05 58.62 67.09 6.19 59.73 65.30 5.10 60.76 64.89 2 0 22.03-999 ?-999 ?-999 ? O4 PO4 A 154 mASP~A 92 5.52 57.44 65.24 6.05 57.53 64.39 5.62 55.31 66.58 5.60 54.08 66.43 4.83 56.21 65.60 4.46 55.44 64.30 2 0 22.59-999 ?-999 ?-999 ? O2 PO4 A 154 mVAL~A 93 6.28 55.89 67.59 6.02 56.84 67.76 7.10 54.96 69.85 6.51 55.78 70.53 7.31 55.15 68.35 8.75 55.74 68.18 3 0 19.63-999 ?-999 ?-999 ? O4 PO4 A 154 mALA~A 94 7.66 53.85 70.34 8.12 53.31 69.64 8.30 54.47 72.64 9.33 55.02 72.30 7.61 53.46 71.74 8.25 52.11 71.89 2 0 19.20-999 ?-999 ?-999 ? O4 PO4 A 154 mVAL~A 95 7.73 54.70 73.82 6.99 54.07 74.05 7.87 55.43 76.14 6.96 54.65 76.39 8.19 55.78 74.68 7.50 57.10 74.26 3 0 19.09-999 ?-999 ?-999 ? O4 PO4 A 154 mVAL~A 96 8.63 55.99 77.08 9.33 56.61 76.74 8.35 56.90 79.40 8.93 57.96 79.06 8.41 55.67 78.51 9.47 54.70 79.10 3 0 20.03-999 ?-999 ?-999 ? O4 PO4 A 154 mSER~A 97 7.65 56.75 80.53 7.19 55.86 80.62 8.86 57.71 82.33 9.51 56.66 82.32 7.57 57.79 81.54 6.35 57.60 82.44 2 0 22.37-999 ?-999 ?-999 ? O4 PO4 A 154 mPRO~A 98 9.26 58.82 83.00 8.61 59.59 83.03 10.68 57.90 84.84 11.76 57.75 85.40 10.58 58.84 83.63 10.75 60.35 84.05 3 0 21.28-999 ?-999 ?-999 ? O4 PO4 A 154 mASP~A 99 9.56 57.28 85.23 8.74 57.57 84.72 9.39 54.88 85.69 8.56 54.08 86.14 9.54 56.27 86.29 8.40 56.56 87.26 2 0 23.35-999 ?-999 ?-999 ? O4 PO4 A 154 mPHE~A 100 10.21 54.60 84.69 10.91 55.30 84.54 10.35 52.11 84.66 11.05 52.12 85.68 10.10 53.39 83.88 11.07 53.47 82.71 3 0 21.27-999 ?-999 ?-999 ? O4 PO4 A 154 mTHR~A 101 9.77 51.01 84.18 9.17 51.18 83.41 10.95 48.93 83.81 10.92 49.16 82.61 10.02 49.69 84.75 8.71 48.91 84.96 2 0 22.30-999 ?-999 ?-999 ? O4 PO4 A 154 mILE~A 102 11.77 48.02 84.33 11.66 47.85 85.31 12.15 46.51 82.33 12.66 46.56 81.21 12.74 47.37 83.45 13.77 46.60 84.22 3 0 20.10-999 ?-999 ?-999 ? O4 PO4 A 154 mTHR~A 103 11.10 45.73 82.62 10.86 45.73 83.59 9.97 45.83 80.37 10.41 45.58 79.25 10.38 44.97 81.59 9.13 44.26 82.15 2 0 21.67-999 ?-999 ?-999 ? O4 PO4 A 154 mGLU~A 104 9.13 46.83 80.60 8.73 46.86 81.51 10.06 48.03 78.69 10.04 47.83 77.47 8.82 47.79 79.55 8.40 49.13 80.15 2 0 20.96-999 ?-999 ?-999 ? O4 PO4 A 154 mVAL~A 105 11.14 48.44 79.35 11.03 48.43 80.34 12.90 47.79 77.74 12.93 47.97 76.52 12.38 48.87 78.68 13.45 49.28 79.73 3 0 17.26-999 ?-999 ?-999 ? O4 PO4 A 154 mLEU~A 106 13.30 46.65 78.29 13.22 46.60 79.29 12.85 45.18 76.38 13.27 44.89 75.28 13.81 45.59 77.48 14.14 44.40 78.35 3 0 16.89-999 ?-999 ?-999 ? O4 PO4 A 154 mHIS~A 107 11.56 45.17 76.67 11.31 45.43 77.60 10.48 45.83 74.55 10.27 45.50 73.38 10.61 44.77 75.65 9.25 44.46 76.24 3 0 19.27-999 ?-999 ?-999 ? O4 PO4 A 154 mLYS~A 108 10.59 47.09 74.91 10.80 47.26 75.88 11.64 48.35 73.08 11.56 48.92 71.98 10.40 48.13 73.92 9.89 49.42 74.56 2 0 17.70-999 ?-999 ?-999 ? O4 PO4 A 154 mLEU~A 109 12.77 47.89 73.60 12.66 47.40 74.47 14.36 46.99 71.93 15.45 46.95 71.34 14.07 48.08 72.97 15.17 48.10 74.03 3 0 14.21-999 ?-999 ?-999 ? O4 PO4 A 154 mVAL~A 110 13.39 46.12 71.72 12.60 46.21 72.32 13.23 45.76 69.33 13.77 45.32 68.32 13.50 45.12 70.68 12.51 43.96 70.85 3 0 15.90-999 ?-999 ?-999 ? O2 PO4 A 154 mASP~A 111 12.40 46.80 69.32 12.06 47.10 70.21 12.91 48.63 67.70 13.38 48.76 66.56 12.05 47.43 68.05 10.56 47.75 68.01 2 0 16.05-999 ?-999 ?-999 ? O2 PO4 A 154 mGLU~A 112 13.15 49.49 68.67 12.72 49.26 69.55 15.32 50.59 69.21 15.43 49.92 70.23 13.98 50.65 68.45 13.19 51.90 68.79 2 0 13.29-999 ?-999 ?-999 ? O2 PO4 A 154 mSER~A 113 16.33 51.29 68.70 16.07 51.83 67.89 17.86 52.09 70.53 18.85 51.95 71.25 17.69 51.29 69.25 18.68 51.79 68.21 2 0 9.57-999 ?-999 ?-999 ? O2 PO4 A 154 mPHE^A 114 16.91 52.96 70.82 16.20 53.03 70.12 15.55 54.14 72.44 14.65 54.24 71.61 16.94 53.72 72.06 17.86 54.95 71.98 3 0 9.93-999 ?-999 ?-999 ? O4 PO4 A 154 mLEU^A 115 15.40 54.47 73.71 16.25 54.63 74.20 13.86 55.97 74.85 14.46 56.35 75.86 14.10 54.57 74.29 13.97 53.46 75.33 3 0 13.18-999 ?-999 ?-999 ? O4 PO4 A 154 mPRO^A 116 13.01 56.74 74.16 12.63 56.29 73.36 12.02 58.18 75.92 11.07 57.45 76.20 12.65 58.11 74.53 11.64 58.51 73.46 3 0 15.19-999 ?-999 ?-999 ? O4 PO4 A 154 mVAL^A 117 12.57 59.05 76.76 13.34 59.56 76.39 11.46 60.60 78.32 12.16 61.62 78.31 12.06 59.21 78.13 13.16 58.97 79.17 3 0 17.28-999 ?-999 ?-999 ? O4 PO4 A 154 mVAL^A 118 10.15 60.63 78.49 9.70 59.75 78.59 8.53 62.11 79.71 7.88 61.17 80.19 9.46 61.91 78.50 8.77 62.24 77.12 3 0 20.56-999 ?-999 ?-999 ? O4 PO4 A 154 mASP~A 119 8.53 63.34 80.20 9.23 63.92 79.79 6.19 63.36 81.04 5.72 63.17 79.92 7.62 63.82 81.22 7.60 65.35 81.19 2 0 23.95-999 ?-999 ?-999 ? O4 PO4 A 154 mALA~A 120 5.48 63.24 82.16 6.03 63.24 83.00 3.34 64.41 81.66 2.12 64.60 81.83 4.02 63.10 82.14 3.51 62.68 83.53 2 0 27.04-999 ?-999 ?-999 ? O4 PO4 A 154 mGLU~A 121 4.13 65.29 81.06 5.10 65.04 81.05 4.18 66.80 79.06 4.20 67.94 78.60 3.62 66.52 80.45 3.83 67.71 81.39 2 0 28.06-999 ?-999 ?-999 ? O4 PO4 A 154 mGLY~A 122 4.62 65.74 78.38 4.67 64.90 78.92 6.45 66.20 76.71 6.90 66.11 75.57 5.00 65.83 76.97-999.99-999.99-999.99 1 0 25.55-999 ?-999 ?-999 ? O4 PO4 A 154 mILE~A 123 7.17 66.59 77.77 6.69 66.50 78.64 9.63 66.01 77.62 9.80 65.24 78.57 8.55 67.10 77.63 8.92 68.17 78.71 3 0 23.47-999 ?-999 ?-999 ? O4 PO4 A 154 mPHE^A 124 10.37 65.98 76.52 10.10 66.65 75.83 12.59 65.29 77.38 13.10 66.41 77.50 11.47 65.06 76.35 12.01 65.16 74.94 3 0 19.69-999 ?-999 ?-999 ? O4 PO4 A 154 mGLN^A 125 12.99 64.24 78.08 12.61 63.36 77.78 15.21 63.55 79.04 16.15 63.71 79.82 13.93 64.38 79.18 13.22 64.07 80.50 2 0 18.56-999 ?-999 ?-999 ? O4 PO4 A 154 mGLY^A 126 15.24 62.65 78.06 14.41 62.62 77.50 16.07 60.52 77.11 14.97 60.39 76.57 16.41 61.80 77.84-999.99-999.99-999.99 1 0 14.79-999 ?-999 ?-999 ? O4 PO4 A 154 mILE^A 127 17.01 59.57 77.11 17.84 59.84 77.59 17.57 57.06 77.10 18.61 57.24 77.75 16.83 58.25 76.44 17.26 58.27 74.96 3 0 12.24-999 ?-999 ?-999 ? O4 PO4 A 154 mILE^A 128 17.03 55.86 76.92 16.14 55.85 76.47 18.20 54.00 76.09 17.38 53.60 75.26 17.73 54.67 77.35 16.79 53.68 78.03 3 0 11.25-999 ?-999 ?-999 ? O4 PO4 A 154 mTHR^A 129 19.51 53.85 75.92 20.10 54.19 76.66 20.11 51.70 74.82 20.33 51.19 75.93 19.99 53.22 74.69 21.34 53.78 74.23 2 0 7.91-999 ?-999 ?-999 ? O4 PO4 A 154 mARG~A 130 19.96 50.99 73.70 19.52 51.49 72.95 21.84 49.44 74.11 22.14 48.48 74.81 20.39 49.61 73.60 20.26 49.07 72.17 2 0 8.29-999 ?-999 ?-999 ? O4 PO4 A 154 mLYS~A 131 22.73 50.38 73.79 22.39 51.09 73.19 24.17 50.28 75.87 24.96 49.51 76.44 24.10 50.31 74.32 24.97 51.46 73.76 2 0 -5.84-999 ?-999 ?-999 ? O4 PO4 A 154s mSER~A 132 23.34 51.10 76.53 22.71 51.61 75.95 23.05 49.88 78.58 23.73 49.40 79.47 23.37 51.23 78.00 22.33 52.24 78.52 2 0 8.53-999 ?-999 ?-999 ? O4 PO4 A 154 mILE~A 133 22.01 49.26 78.06 21.56 49.75 77.31 22.55 46.88 78.23 22.70 45.90 78.96 21.57 47.97 78.58 20.18 47.63 78.05 3 0 11.22-999 ?-999 ?-999 ? O4 PO4 A 154 mLEU~A 134 23.22 47.04 77.10 23.02 47.87 76.58 25.36 46.04 77.66 25.92 44.99 77.95 24.16 46.04 76.71 24.59 46.25 75.27 3 0 10.34-999 ?-999 ?-999 ? O4 PO4 A 154 mLYS~A 135 25.71 47.22 78.14 25.18 47.99 77.78 26.45 46.70 80.41 27.33 46.13 81.04 26.79 47.37 79.11 27.08 48.84 79.39 2 0 10.55-999 ?-999 ?-999 ? O3 PO4 A 154 mALA~A 136 25.18 46.77 80.81 24.60 47.32 80.21 24.89 44.58 81.88 25.66 43.98 82.64 24.69 46.10 82.01 23.23 46.44 82.29 2 0 13.98-999 ?-999 ?-999 ? O4 PO4 A 154 mVAL~A 137 24.20 44.00 80.90 23.52 44.60 80.48 25.89 42.22 80.57 26.23 41.21 81.15 24.42 42.62 80.48 23.98 42.42 79.02 3 0 15.00-999 ?-999 ?-999 ? O3 PO4 A 154 mASN~A 138 26.75 43.02 79.98 26.37 43.85 79.58 28.81 42.67 81.35 29.67 41.84 81.61 28.15 42.69 79.96 28.87 43.64 79.03 2 0 13.97-999 ?-999 ?-999 ? O3 PO4 A 154 mALA~A 139 28.37 43.55 82.25 27.66 44.15 81.90 28.40 42.48 84.56 28.96 42.22 85.64 28.90 43.61 83.63 28.59 44.97 84.25 2 0 16.20-999 ?-999 ?-999 ? O3 PO4 A 154 mLEU~A 140 27.33 41.81 84.13 26.87 42.22 83.34 27.86 39.45 84.50 28.03 38.57 85.34 26.88 40.60 84.76 25.49 40.24 84.27 3 0 19.00-999 ?-999 ?-999 ? O3 PO4 A 154 mLEU~A 141 28.50 39.46 83.33 28.31 40.26 82.76 30.78 38.53 83.54 31.65 37.67 83.35 29.39 38.38 82.93 29.49 38.28 81.41 3 0 19.15-999 ?-999 ?-999 ? O3 PO4 A 154 mHIS~A 142 31.01 39.63 84.24 30.25 40.28 84.25 31.91 40.22 86.36 31.52 41.37 86.64 32.26 39.84 84.93 33.07 40.93 84.24 3 0 19.85-999 ?-999 ?-999 ? O3 PO4 A 154 mASP~A 143 32.02 39.23 87.26 32.43 38.40 86.89 31.99 38.13 89.44 33.17 37.90 89.67 31.57 39.36 88.64 30.04 39.53 88.70 2 0 22.92-999 ?-999 ?-999 ? O3 PO4 A 154 mASN~B -1 26.87 34.95 93.50 26.24 35.62 93.88 28.30 34.24 91.51 27.54 34.77 90.68 27.82 33.94 92.94 27.19 32.55 93.01 2 0 29.47-999 ?-999 ?-999 ? O3 PO4 A 154 mALA~B 0 29.56 33.90 91.22 30.10 33.68 92.04 29.56 32.64 89.06 29.90 32.43 87.90 30.11 33.86 89.85 31.64 33.85 89.89 2 0 27.23-999 ?-999 ?-999 ? O3 PO4 A 154 mMETB 1 28.72 31.85 89.73 28.71 32.01 90.72 26.78 31.47 88.27 26.31 30.89 87.32 27.88 30.84 89.09 27.25 29.94 90.15 2 0 28.88-999 ?-999 ?-999 ? O3 PO4 A 154 mILE~B 2 26.35 32.67 88.67 26.77 33.00 89.51 25.86 33.71 86.53 25.15 33.46 85.54 25.35 33.40 87.93 25.00 34.70 88.64 3 0 26.39-999 ?-999 ?-999 ? O3 PO4 A 154 mALA~B 3 27.08 34.22 86.45 27.53 34.39 87.33 27.75 33.27 84.30 27.46 33.33 83.11 27.71 34.51 85.17 29.10 35.08 85.36 2 0 23.55-999 ?-999 ?-999 ? O3 PO4 A 154 mLYS~B 4 28.09 32.13 84.90 28.35 32.23 85.86 26.67 30.51 83.70 26.47 30.20 82.53 28.09 30.86 84.18 28.69 29.73 85.02 2 0 25.90-999 ?-999 ?-999 ? O3 PO4 A 154 mGLU~B 5 25.71 30.57 84.61 26.03 30.81 85.53 23.81 31.15 83.14 23.15 30.67 82.24 24.30 30.29 84.29 23.40 30.56 85.50 2 0 26.80-999 ?-999 ?-999 ? O3 PO4 A 154 mPHE~B 6 24.15 32.43 83.19 24.66 32.67 84.02 24.41 33.05 80.78 23.69 32.94 79.79 23.81 33.38 82.14 24.20 34.79 82.54 3 0 23.21-999 ?-999 ?-999 ? O3 PO4 A 154 mGLU~B 7 25.74 32.94 80.74 26.21 33.17 81.59 25.77 31.22 79.03 25.39 31.15 77.87 26.42 32.50 79.54 27.91 32.30 79.81 2 0 22.33-999 ?-999 ?-999 ? O3 PO4 A 154 mTHR~B 8 25.63 30.23 79.90 25.98 30.43 80.81 23.70 29.26 78.84 23.45 28.76 77.75 25.01 28.98 79.52 24.71 28.12 80.72 2 0 25.71-999 ?-999 ?-999 ? O3 PO4 A 154 mPHE~B 9 22.88 30.07 79.50 23.19 30.38 80.39 21.82 31.06 77.54 21.24 30.57 76.57 21.62 30.45 78.93 20.86 31.42 79.81 3 0 24.89-999 ?-999 ?-999 ? O3 PO4 A 154 mLEU~B 10 22.63 32.11 77.45 23.03 32.42 78.31 23.44 31.80 75.08 23.04 31.85 73.93 22.87 32.73 76.14 23.72 33.98 76.24 3 0 21.60-999 ?-999 ?-999 ? O3 PO4 A 154 mLEU~B 11 24.36 30.93 75.47 24.68 31.05 76.41 23.68 29.17 73.92 23.72 28.81 72.74 24.85 29.92 74.55 25.80 28.95 75.27 3 0 23.47-999 ?-999 ?-999 ? O3 PO4 A 154 mGLY~B 12 22.62 28.98 74.69 22.74 29.28 75.64 20.67 29.20 73.14 19.70 28.73 72.57 21.40 28.38 74.19-999.99-999.99-999.99 1 0 25.66-999 ?-999 ?-999 ? O3 PO4 A 154 mGLN~B 13 21.15 30.41 72.86 22.01 30.64 73.31 21.17 31.63 70.68 20.82 32.60 70.02 20.43 31.31 71.97 20.12 32.64 72.66 2 0 22.96-999 ?-999 ?-999 ? O3 PO4 A 154 mGLU~B 14 22.18 30.84 70.32 22.36 30.08 70.95 22.06 31.48 67.91 22.44 32.31 67.10 22.94 31.11 69.11 23.78 29.89 68.74 2 0 22.33-999 ?-999 ?-999 ? O3 PO4 A 154 mGLU~B 15 20.88 30.87 67.82 20.62 30.36 68.65 19.14 32.17 66.53 18.42 32.36 65.54 20.06 30.95 66.61 19.27 29.65 66.41 2 0 23.33-999 ?-999 ?-999 ? O2 PO4 A 154 mTHR~B 16 19.18 32.97 67.57 19.77 32.65 68.31 19.40 35.36 67.32 19.13 36.19 66.43 18.44 34.21 67.62 17.83 34.39 69.01 2 0 20.81-999 ?-999 ?-999 ? O2 PO4 A 154 mPHE~B 17 20.52 35.41 68.04 20.66 34.63 68.65 22.38 36.44 66.75 22.89 37.46 66.29 21.44 36.53 67.92 22.20 36.80 69.23 3 0 17.53-999 ?-999 ?-999 ? O2 PO4 A 154 mLEU^B 18 22.62 35.21 66.28 22.17 34.47 66.77 22.60 34.74 63.93 21.85 33.78 63.92 23.48 34.99 65.13 24.42 33.82 65.36 3 0 18.78-999 ?-999 ?-999 ? O2 PO4 A 154 mTHR^B 19 22.70 35.64 62.95 23.31 36.40 63.16 23.00 35.24 60.59 24.00 35.95 60.47 21.98 35.52 61.68 21.25 36.82 61.31 2 0 19.53-999 ?-999 ?-999 ? O2 PO4 A 154 mPRO^B 20 22.75 34.18 59.80 21.89 33.70 59.96 23.54 34.59 57.50 22.41 34.97 57.17 23.73 33.81 58.79 23.45 32.32 58.58 3 0 21.85-999 ?-999 ?-999 ? O2 PO4 A 154 mALA~B 21 24.65 34.83 56.79 25.46 34.41 57.20 23.59 35.18 54.60 22.88 36.01 54.05 24.69 35.60 55.54 26.02 35.41 54.87 2 0 21.88-999 ?-999 ?-999 ? O2 PO4 A 154 mLYS~B 22 23.50 33.86 54.40 24.31 33.38 54.73 21.02 33.90 53.93 20.21 33.90 53.01 22.37 33.16 53.79 22.27 31.75 54.42 2 0 25.19-999 ?-999 ?-999 ? O2 PO4 A 154 mASN~B 23 20.80 34.54 55.10 21.59 34.52 55.70 19.51 36.73 55.43 18.49 37.32 55.78 19.53 35.19 55.45 19.08 34.74 56.84 2 0 23.38-999 ?-999 ?-999 ? O2 PO4 A 154 mLEU~B 24 20.61 37.37 55.05 21.36 36.75 54.81 20.86 39.43 53.58 21.37 38.76 52.65 20.70 38.86 54.99 21.92 39.38 55.78 3 0 20.60-999 ?-999 ?-999 ? O2 PO4 A 154 mALA~B 25 20.48 40.70 53.44 19.89 41.04 54.18 22.35 41.90 52.45 22.77 42.36 53.52 20.89 41.50 52.28 20.01 42.74 52.13 2 0 20.82-999 ?-999 ?-999 ? O2 PO4 A 154 mVAL~B 26 23.13 41.69 51.39 22.70 41.17 50.65 24.75 42.94 50.05 24.26 42.53 49.00 24.50 42.21 51.37 25.55 41.09 51.66 3 0 20.41-999 ?-999 ?-999 ? O2 PO4 A 154 mLEU^B 27 25.50 44.03 50.10 25.81 44.28 51.01 27.22 44.45 48.35 28.17 44.41 49.15 25.82 44.80 48.89 25.72 46.29 49.20 3 0 21.27-999 ?-999 ?-999 ? O2 PO4 A 154 mILE^B 28 27.36 44.19 47.04 26.50 44.11 46.54 29.44 45.36 46.46 28.82 46.42 46.29 28.71 44.05 46.42 28.74 43.62 44.91 3 0 23.86-999 ?-999 ?-999 ? O2 PO4 A 154 mASP~B 29 30.76 45.31 46.65 31.13 44.38 46.68 31.50 47.53 45.58 31.84 48.72 45.71 31.55 46.55 46.80 33.00 46.22 47.19 2 0 23.04-999 ?-999 ?-999 ? O2 PO4 A 154 mTHR~B 30 31.03 47.02 44.44 30.69 46.08 44.52 29.69 48.41 42.85 29.52 48.97 41.77 31.04 47.77 43.20 31.51 46.89 42.04 2 0 26.08-999 ?-999 ?-999 ? O2 PO4 A 154 mHIS~B 31 28.73 48.33 43.76 28.98 47.79 44.56 27.67 50.46 43.62 28.36 50.93 44.49 27.43 48.97 43.58 26.52 48.58 44.74 3 0 25.18-999 ?-999 ?-999 ? O2 PO4 A 154 mASN~B 32 27.11 51.20 42.68 26.56 50.71 42.00 26.66 53.31 43.90 25.60 52.89 44.38 27.31 52.65 42.70 26.89 53.30 41.38 2 0 25.72-999 ?-999 ?-999 ? O2 PO4 A 154 mALA~B 33 27.30 54.35 44.42 28.08 54.68 43.89 25.43 55.48 45.56 24.69 55.43 46.53 26.85 54.95 45.66 27.78 56.04 46.09 2 0 22.82-999 ?-999 ?-999 ? O2 PO4 A 154 mASP~B 34 25.07 55.99 44.40 25.78 55.99 43.69 22.58 55.46 44.35 21.58 55.72 45.02 23.73 56.52 44.19 23.66 57.23 42.84 2 0 24.67-999 ?-999 ?-999 ? O2 PO4 A 154 mHIS~B 35 22.72 54.27 43.76 23.56 54.13 43.23 21.73 52.61 45.30 20.69 52.19 45.86 21.66 53.28 43.92 21.69 52.24 42.80 3 0 25.07-999 ?-999 ?-999 ? O2 PO4 A 154 mALA~B 36 22.94 52.49 45.84 23.70 52.76 45.24 22.27 52.89 48.10 21.50 52.38 48.92 23.13 52.01 47.20 24.57 52.09 47.61 2 0 21.59-999 ?-999 ?-999 ? O2 PO4 A 154 mTHR~B 37 22.34 54.20 47.91 22.96 54.49 47.17 20.10 54.70 48.73 19.53 54.46 49.79 21.56 55.11 48.73 21.77 56.61 48.38 2 0 20.52-999 ?-999 ?-999 ? O2 PO4 A 154 mLEU~B 38 19.51 54.57 47.55 20.09 54.83 46.78 17.96 52.74 48.11 17.06 52.58 48.94 18.13 54.10 47.43 17.67 54.03 45.97 3 0 22.81-999 ?-999 ?-999 ? O2 PO4 A 154 mLEU~B 39 18.82 51.78 47.78 19.51 52.02 47.09 18.66 50.56 49.94 17.75 50.02 50.58 18.72 50.48 48.41 19.83 49.57 47.90 3 0 21.83-999 ?-999 ?-999 ? O2 PO4 A 154 mLEU~B 40 19.61 51.29 50.49 20.27 51.66 49.84 18.44 52.16 52.55 17.95 51.69 53.57 19.68 51.53 51.93 20.93 52.35 52.26 3 0 18.12-999 ?-999 ?-999 ? O2 PO4 A 154 mSER~B 41 17.92 53.21 51.92 18.39 53.45 51.07 15.58 53.03 52.62 14.65 53.35 53.35 16.78 53.95 52.44 16.43 55.08 51.48 2 0 19.00-999 ?-999 ?-999 ? O2 PO4 A 154 mGLN~B 42 15.63 51.87 51.97 16.51 51.68 51.54 14.59 49.79 52.86 13.57 49.18 53.20 14.50 50.97 51.90 14.38 50.47 50.46 2 0 20.85-999 ?-999 ?-999 ? O2 PO4 A 154 mMETB 43 15.79 49.47 53.29 16.53 50.05 52.95 15.80 48.81 55.60 15.89 49.99 55.92 16.00 48.37 54.19 17.42 47.86 54.10 2 0 18.62-999 ?-999 ?-999 ? O2 PO4 A 154 mTHR~B 44 15.60 47.82 56.45 15.64 46.92 56.02 16.59 48.19 58.72 16.56 48.84 59.76 15.33 48.03 57.86 14.46 46.89 58.40 2 0 16.57-999 ?-999 ?-999 ? O2 PO4 A 154 mTYR~B 45 17.70 47.61 58.26 17.59 47.07 57.43 19.57 49.14 58.71 19.41 49.71 57.63 18.97 47.77 58.95 19.92 46.65 58.56 3 0 13.54-999 ?-999 ?-999 ? O2 PO4 A 154 mTHR~B 46 20.22 49.68 59.74 20.10 49.19 60.60 22.38 50.64 58.89 22.81 51.48 58.12 21.04 50.89 59.60 21.25 51.59 60.93 2 0 10.90-999 ?-999 ?-999 ? O2 PO4 A 154 mARG~B 47 23.03 49.50 59.16 22.58 48.95 59.85 24.12 47.79 57.75 23.41 46.90 58.23 24.30 49.11 58.49 25.47 48.99 59.48 2 0 11.05-999 ?-999 ?-999 ? O2 PO4 A 154 mVAL^B 48 24.72 47.68 56.58 25.17 48.51 56.25 26.12 46.01 55.46 26.94 46.86 55.16 24.72 46.41 55.86 23.77 46.39 54.64 3 0 14.43-999 ?-999 ?-999 ? O2 PO4 A 154 mPRO^B 49 26.40 44.70 55.47 25.64 44.08 55.66 28.05 44.40 53.74 27.13 44.34 52.95 27.76 44.27 55.21 27.75 42.81 55.65 3 0 15.92-999 ?-999 ?-999 ? O2 PO4 A 154 mVAL^B 50 29.30 44.61 53.39 29.94 44.69 54.15 30.70 43.64 51.69 31.65 43.41 52.45 29.68 44.72 52.00 30.28 46.11 51.65 3 0 18.64-999 ?-999 ?-999 ? O2 PO4 A 154 mVAL^B 51 30.48 42.98 50.55 29.70 43.33 50.03 31.82 42.01 48.68 31.27 42.79 47.90 31.31 41.86 50.12 30.53 40.55 50.26 3 0 21.91-999 ?-999 ?-999 ? O2 PO4 A 154 mTHR~B 52 32.88 41.27 48.34 33.28 40.78 49.12 32.54 40.22 46.11 31.71 39.48 46.65 33.39 41.19 46.97 34.87 40.72 46.92 2 0 25.36-999 ?-999 ?-999 ? O2 PO4 A 154 mASP~B 53 32.76 40.23 44.80 33.39 40.95 44.51 32.20 37.78 44.31 31.22 37.03 44.22 32.11 39.26 43.87 32.60 39.45 42.41 2 0 28.65-999 ?-999 ?-999 ? O2 PO4 A 154 mGLU~B 54 33.38 37.38 44.79 34.10 38.06 44.70 33.39 36.08 46.91 34.05 35.33 47.65 33.58 36.05 45.39 34.95 35.48 45.01 2 0 29.41-999 ?-999 ?-999 ? O2 PO4 A 154 mLYS~B 55 32.51 36.98 47.37 32.26 37.64 46.67 32.91 37.26 49.91 32.59 36.91 51.04 31.95 37.01 48.75 31.11 35.76 49.02 2 0 25.91-999 ?-999 ?-999 ? O2 PO4 A 154 mGLN~B 56 34.06 37.88 49.63 34.22 38.01 48.66 34.38 39.46 51.48 33.84 40.41 50.91 34.99 38.32 50.68 36.32 38.81 50.08 2 0 24.45-999 ?-999 ?-999 ? O2 PO4 A 154 mPHE^B 57 34.48 39.36 52.79 34.90 38.53 53.14 34.86 41.64 53.45 36.08 41.55 53.66 33.98 40.42 53.63 33.99 40.02 55.09 3 0 20.70-999 ?-999 ?-999 ? O2 PO4 A 154 mVAL^B 58 34.25 42.75 53.07 33.26 42.67 52.96 34.79 44.95 54.03 35.76 45.51 54.54 34.96 43.99 52.84 34.47 44.68 51.55 3 0 19.72-999 ?-999 ?-999 ? O2 PO4 A 154 mGLY^B 59 33.55 45.17 54.46 32.84 44.64 53.99 31.80 46.29 55.69 31.02 45.53 55.10 33.29 46.10 55.55-999.99-999.99-999.99 1 0 15.94-999 ?-999 ?-999 ? O2 PO4 A 154 mTHR^B 60 31.39 47.28 56.49 32.12 47.72 57.02 29.74 49.07 56.03 30.67 49.87 55.92 29.98 47.67 56.57 29.39 47.54 57.98 2 0 13.37-999 ?-999 ?-999 ? O2 PO4 A 154 mILE^B 61 28.49 49.35 55.68 27.84 48.61 55.86 26.70 51.10 55.52 25.74 50.32 55.62 28.10 50.62 55.10 28.25 50.60 53.57 3 0 13.59-999 ?-999 ?-999 ? O2 PO4 A 154 mGLY~B 62 26.60 52.39 55.79 27.46 52.90 55.71 25.22 54.25 55.38 26.20 54.74 54.79 25.35 52.99 56.18-999.99-999.99-999.99 1 0 12.35-999 ?-999 ?-999 ? O2 PO4 A 154 mLEU~B 63 24.00 54.79 55.37 23.32 54.26 55.88 24.57 57.20 55.13 24.85 58.10 54.34 23.71 56.03 54.69 22.25 56.39 54.92 3 0 14.41-999 ?-999 ?-999 ? O2 PO4 A 154 mARG~B 64 24.97 57.22 56.40 24.59 56.50 56.99 27.24 58.10 56.15 27.81 59.10 55.79 25.89 58.23 56.85 26.08 58.22 58.35 2 0 12.68-999 ?-999 ?-999 ? O2 PO4 A 154 mASP~B 65 27.73 56.88 55.92 27.17 56.12 56.23 28.95 57.36 53.88 29.88 58.06 53.47 29.02 56.75 55.25 29.47 55.30 55.15 2 0 13.78-999 ?-999 ?-999 ? O2 PO4 A 154 mILE~B 66 27.84 57.12 53.20 27.19 56.53 53.67 27.44 59.19 51.88 28.05 59.89 51.09 27.63 57.67 51.87 26.42 57.01 51.22 3 0 17.16-999 ?-999 ?-999 ? O2 PO4 A 154 mMETB 67 26.59 59.69 52.78 26.18 59.02 53.39 27.52 61.87 53.26 27.83 62.90 52.69 26.30 61.11 52.84 25.21 61.40 53.84 2 0 17.50-999 ?-999 ?-999 ? O2 PO4 A 154 mALA~B 68 28.21 61.37 54.28 27.84 60.53 54.67 30.44 62.08 53.60 31.24 63.02 53.51 29.42 62.03 54.74 29.98 61.32 55.96 2 0 16.19-999 ?-999 ?-999 ? O1 PO4 A 154 mTYR~B 69 30.40 61.08 52.73 29.69 60.40 52.90 30.98 62.03 50.54 31.82 62.83 50.14 31.34 61.02 51.63 31.39 59.61 51.09 3 0 18.85-999 ?-999 ?-999 ? O1 PO4 A 154 mGLN~B 70 29.74 61.99 50.06 29.17 61.26 50.43 29.76 64.31 49.55 30.37 65.07 48.80 29.27 62.96 49.08 27.76 62.92 49.03 2 0 21.73-999 ?-999 ?-999 ? O1 PO4 A 154 mMETB 71 29.53 64.56 50.82 29.15 63.78 51.32 31.30 66.17 51.61 31.73 67.25 51.23 29.80 65.83 51.45 29.03 65.90 52.77 2 0 20.93-999 ?-999 ?-999 ? O1 PO4 A 154 mGLU~B 72 32.10 65.26 52.17 31.66 64.45 52.53 34.07 65.81 50.81 34.92 66.66 50.60 33.54 65.52 52.20 34.34 64.37 52.80 2 0 20.70-999 ?-999 ?-999 ? O1 PO4 A 154 mHIS~B 73 33.56 65.08 49.83 32.78 64.51 50.07 33.42 66.00 47.52 33.89 66.12 46.40 34.16 65.15 48.53 34.43 63.75 48.02 3 0 23.78-999 ?-999 ?-999 ? O1 PO4 A 154 mASP~B 74 32.30 66.61 47.91 31.96 66.30 48.80 31.17 67.04 45.76 31.28 67.67 44.71 31.63 67.63 47.09 32.56 68.83 46.88 2 0 25.74-999 ?-999 ?-999 ? O1 PO4 A 154 mLEU~B 75 30.68 65.81 45.79 30.55 65.42 46.71 28.93 65.39 44.13 28.00 65.26 44.93 30.36 65.13 44.56 30.63 63.64 44.66 3 0 26.79-999 ?-999 ?-999 ? O1 PO4 A 154 mSER~B 76 28.78 65.79 42.88 29.64 66.03 42.42 26.87 64.48 42.28 27.60 63.48 42.47 27.48 65.86 42.23 27.66 66.19 40.76 2 0 29.11-999 ?-999 ?-999 ? O2 PO4 A 154 mGLN~B 77 25.56 64.42 42.08 25.09 65.31 42.04 25.60 62.30 40.89 26.04 61.21 41.18 24.89 63.15 41.93 23.42 63.33 41.55 2 0 28.39-999 ?-999 ?-999 ? O2 PO4 A 154 mGLU~B 78 25.75 62.81 39.68 25.55 63.78 39.58 27.49 61.20 38.92 27.67 60.06 38.51 26.17 61.92 38.61 26.18 62.63 37.25 2 0 31.07-999 ?-999 ?-999 ? O2 PO4 A 154 mILE~B 79 28.38 61.85 39.67 28.11 62.78 39.93 29.39 60.10 41.09 30.05 59.07 41.05 29.63 61.21 40.08 30.65 62.23 40.62 3 0 29.57-999 ?-999 ?-999 ? O2 PO4 A 154 mMETB 80 28.43 60.30 41.98 28.03 61.21 41.94 27.54 58.02 42.17 27.87 56.89 42.53 28.02 59.25 42.93 26.90 59.73 43.85 2 0 26.22-999 ?-999 ?-999 ? O2 PO4 A 154 mALA~B 81 26.76 58.24 41.11 26.60 59.20 40.91 27.28 56.30 39.68 27.07 55.14 39.34 26.19 57.15 40.32 25.26 57.70 39.27 2 0 28.39-999 ?-999 ?-999 ? O2 PO4 A 154 mASP~B 82 28.46 56.88 39.55 28.51 57.80 39.92 30.70 55.83 39.92 31.77 55.35 39.51 29.58 56.20 38.92 30.12 57.09 37.81 2 0 29.75-999 ?-999 ?-999 ? O2 PO4 A 154 mTHR~B 83 30.45 56.04 41.21 29.54 56.43 41.39 31.12 54.39 42.92 29.96 54.07 43.20 31.42 55.73 42.26 31.41 56.80 43.35 2 0 26.64-999 ?-999 ?-999 ? O2 PO4 A 154 mASP~B 84 32.15 53.61 43.20 33.05 53.98 42.94 31.82 52.49 45.34 32.59 53.20 45.97 31.96 52.33 43.85 33.11 51.39 43.53 2 0 25.06-999 ?-999 ?-999 ? O2 PO4 A 154 mILE~B 85 30.80 51.81 45.88 30.22 51.40 45.18 31.78 51.45 48.21 31.87 52.02 49.31 30.54 51.66 47.32 29.56 50.49 47.50 3 0 21.43-999 ?-999 ?-999 ? O2 PO4 A 154 mVAL~B 86 32.71 50.64 47.73 32.51 50.26 46.82 34.66 51.60 48.94 35.25 51.61 50.03 33.92 50.35 48.47 34.86 49.42 47.68 3 0 21.28-999 ?-999 ?-999 ? O2 PO4 A 154 mHIS~B 87 34.64 52.66 48.14 34.08 52.56 47.32 34.86 54.53 49.74 35.55 55.37 50.33 35.40 53.85 48.50 35.49 54.83 47.34 3 0 21.61-999 ?-999 ?-999 ? O2 PO4 A 154 mMETB 88 33.65 54.17 50.15 33.19 53.49 49.59 32.65 53.74 52.40 32.06 54.05 53.42 33.07 54.78 51.35 31.93 55.73 50.98 2 0 18.17-999 ?-999 ?-999 ? O2 PO4 A 154 mTHR~B 89 33.02 52.51 52.12 33.48 52.40 51.24 33.75 51.54 54.18 34.89 51.99 54.03 32.79 51.41 53.02 32.97 50.07 52.28 2 0 16.52-999 ?-999 ?-999 ? O2 PO4 A 154 mLYS~B 90 33.23 51.16 55.33 32.29 50.82 55.26 34.65 49.89 56.79 34.02 48.84 56.88 33.94 51.22 56.59 32.97 51.52 57.73 2 0 13.83-999 ?-999 ?-999 ? O2 PO4 A 154 mTHR~B 91 35.97 49.94 56.83 36.36 50.86 56.83 37.42 48.56 58.22 37.71 47.46 58.68 36.74 48.70 56.86 37.76 48.64 55.72 2 0 15.73-999 ?-999 ?-999 ? O2 PO4 A 154 mASP~B 92 37.62 49.71 58.87 37.38 50.52 58.34 36.98 49.41 61.15 36.36 50.30 61.73 38.14 49.76 60.23 38.66 51.18 60.52 2 0 13.99-999 ?-999 ?-999 ? O3 PO4 A 154 mVAL~B 93 36.70 48.11 61.25 37.37 47.52 60.80 35.89 46.31 62.70 36.73 45.55 62.22 35.52 47.59 61.96 34.33 47.32 60.97 3 0 11.79-999 ?-999 ?-999 ? O3 PO4 A 154 mALA~B 94 35.30 46.06 63.86 34.63 46.74 64.15 34.78 43.64 64.18 33.56 43.76 64.06 35.64 44.84 64.60 35.56 45.08 66.11 2 0 11.81-999 ?-999 ?-999 ? O3 PO4 A 154 mVAL~B 95 35.42 42.50 63.93 36.41 42.54 64.07 35.11 40.10 64.32 36.08 40.20 65.06 34.69 41.30 63.49 34.93 41.00 62.00 3 0 14.45-999 ?-999 ?-999 ? O3 PO4 A 154 mVAL~B 96 34.39 38.98 64.21 33.59 39.07 63.61 34.83 36.48 64.05 34.01 36.33 63.16 34.77 37.73 64.93 33.83 37.41 66.16 3 0 16.91-999 ?-999 ?-999 ? O3 PO4 A 154 mSER~B 97 35.78 35.59 64.33 36.47 35.92 64.98 34.52 33.51 64.10 33.87 33.89 65.06 35.81 34.25 63.71 37.04 33.47 64.18 2 0 20.74-999 ?-999 ?-999 ? O3 PO4 A 154 mPRO~B 98 34.13 32.46 63.35 34.69 32.22 62.56 32.98 31.03 65.11 32.01 30.39 65.55 32.89 31.77 63.76 32.63 30.79 62.60 3 0 22.23-999 ?-999 ?-999 ? O3 PO4 A 154 mASP~B 99 34.13 31.16 65.77 34.81 31.73 65.29 34.57 31.60 68.12 35.45 31.51 68.98 34.39 30.54 67.06 35.63 29.65 66.99 2 0 23.03-999 ?-999 ?-999 ? O3 PO4 A 154 mPHE~B 100 33.72 32.61 68.02 33.20 32.59 67.17 33.07 33.04 70.34 32.23 32.11 70.33 33.55 33.65 69.03 32.49 34.64 68.54 3 0 19.63-999 ?-999 ?-999 ? O3 PO4 A 154 mTHR~B 101 33.58 33.57 71.45 34.37 34.15 71.31 31.91 34.33 73.05 31.90 35.41 72.44 32.98 33.28 72.75 34.03 33.21 73.89 2 0 19.99-999 ?-999 ?-999 ? O3 PO4 A 154 mILE~B 102 30.99 34.03 73.96 31.07 33.12 74.37 30.65 36.26 74.83 30.45 37.36 74.30 29.96 35.00 74.30 28.99 34.46 75.36 3 0 18.16-999 ?-999 ?-999 ? O3 PO4 A 154 mTHR~B 103 31.47 36.09 75.86 31.59 35.13 76.12 32.82 38.17 75.56 32.80 39.39 75.75 32.15 37.20 76.55 33.17 36.67 77.60 2 0 17.05-999 ?-999 ?-999 ? O3 PO4 A 154 mGLU~B 104 33.39 37.60 74.51 33.32 36.60 74.51 33.04 39.06 72.54 33.23 40.23 72.25 34.04 38.35 73.44 34.97 37.40 72.65 2 0 15.59-999 ?-999 ?-999 ? O3 PO4 A 154 mVAL~B 105 31.99 38.37 72.10 32.03 37.39 72.31 30.36 40.25 72.12 30.40 41.35 71.60 30.88 39.02 71.38 29.68 38.08 71.19 3 0 13.84-999 ?-999 ?-999 ? O3 PO4 A 154 mLEU~B 106 29.89 40.06 73.34 29.90 39.11 73.65 30.41 42.28 74.33 30.03 43.43 74.43 29.39 41.16 74.13 28.95 40.65 75.49 3 0 12.16-999 ?-999 ?-999 ? O3 PO4 A 154 mHIS~B 107 31.68 41.94 74.43 31.86 40.95 74.36 32.81 43.81 73.36 33.01 45.01 73.45 32.72 42.94 74.61 34.07 42.29 74.96 3 0 11.38-999 ?-999 ?-999 ? O3 PO4 A 154 mLYS~B 108 32.63 43.18 72.20 32.46 42.20 72.30 31.42 44.75 70.69 31.53 45.88 70.18 32.66 43.87 70.91 32.87 42.87 69.76 2 0 9.64-999 ?-999 ?-999 ? O3 PO4 A 154 mLEU~B 109 30.25 44.26 71.09 30.29 43.34 71.47 28.91 46.15 72.06 27.85 46.76 72.24 29.03 45.05 70.98 27.81 44.15 71.00 3 0 7.64-999 ?-999 ?-999 ? O3 PO4 A 154 mVAL~B 110 29.98 46.44 72.77 30.78 45.86 72.67 30.54 48.78 72.94 30.29 49.94 73.29 29.86 47.59 73.63 30.34 47.28 75.05 3 0 6.22-999 ?-999 ?-999 ? O3 PO4 A 154 mASP~B 111 31.37 48.50 71.94 31.47 47.52 71.75 31.31 49.87 69.92 31.14 51.04 69.60 32.07 49.52 71.19 33.48 49.05 70.84 2 0 -4.67-999 ?-999 ?-999 ? O3 PO4 A 154s mGLU~B 112 30.89 48.84 69.20 31.22 47.95 69.53 28.69 48.28 68.27 28.37 47.95 69.41 30.03 48.99 68.03 30.72 48.47 66.78 2 0 4.43-999 ?-999 ?-999 ? O3 PO4 A 154 mSER~B 113 27.92 48.05 67.20 28.35 48.34 66.34 26.28 46.43 66.18 25.29 45.72 66.26 26.59 47.44 67.29 25.51 48.51 67.26 2 0 5.83-999 ?-999 ?-999 ? O2 PO4 A 154 mPHE^B 114 27.10 46.42 65.13 27.73 47.20 65.09 28.31 44.55 64.32 29.41 45.10 64.33 27.06 45.35 64.13 26.97 45.90 62.70 3 0 8.89-999 ?-999 ?-999 ? O2 PO4 A 154 mLEU^B 115 28.13 43.25 64.50 27.18 42.94 64.53 29.29 41.34 63.51 28.52 40.39 63.53 29.27 42.38 64.64 29.28 41.72 66.01 3 0 11.63-999 ?-999 ?-999 ? O2 PO4 A 154 mPRO^B 116 30.15 41.56 62.51 30.69 42.40 62.57 30.98 39.32 61.83 31.87 39.31 62.71 30.26 40.61 61.42 31.07 41.38 60.38 3 0 14.71-999 ?-999 ?-999 ? O2 PO4 A 154 mVAL^B 117 30.61 38.22 61.18 29.85 38.32 60.54 32.03 36.55 60.17 31.42 36.39 59.12 31.31 36.99 61.43 30.37 35.93 62.01 3 0 18.10-999 ?-999 ?-999 ? O2 PO4 A 154 mVAL^B 118 33.34 36.37 60.31 33.63 36.50 61.26 35.35 35.04 59.76 35.97 35.25 60.81 34.28 36.02 59.24 35.01 37.29 58.69 3 0 20.66-999 ?-999 ?-999 ? O3 PO4 A 154 mASP~B 119 35.57 33.98 58.99 34.91 33.89 58.24 38.04 33.61 58.90 38.14 34.61 58.18 36.66 33.03 59.24 36.44 31.76 58.42 2 0 23.81-999 ?-999 ?-999 ? O3 PO4 A 154 mALA~B 120 39.10 32.98 59.41 38.87 32.25 60.06 40.67 33.23 57.51 41.72 33.60 56.98 40.47 33.34 59.03 41.47 32.47 59.78 2 0 25.19-999 ?-999 ?-999 ? O3 PO4 A 154 mGLU~B 121 39.65 32.71 56.83 38.90 32.39 57.40 39.38 34.00 54.73 40.11 34.42 53.83 39.65 32.63 55.37 38.59 31.63 54.93 2 0 27.18-999 ?-999 ?-999 ? O3 PO4 A 154 mGLY~B 122 38.32 34.67 55.19 37.81 34.19 55.90 36.51 36.08 54.22 36.09 37.09 53.65 37.94 36.00 54.71-999.99-999.99-999.99 1 0 24.50-999 ?-999 ?-999 ? O2 PO4 A 154 mILE~B 123 35.76 35.00 54.45 36.20 34.30 55.01 33.36 35.29 54.97 33.33 34.78 56.08 34.40 34.90 53.93 34.12 33.49 53.30 3 0 24.43-999 ?-999 ?-999 ? O2 PO4 A 154 mPHE^B 124 32.52 36.24 54.57 32.71 36.58 53.65 30.37 35.64 55.56 29.86 35.11 54.57 31.43 36.71 55.40 30.79 37.95 54.78 3 0 21.42-999 ?-999 ?-999 ? O2 PO4 A 154 mGLN^B 125 30.02 35.35 56.81 30.46 35.91 57.51 27.88 34.71 57.94 26.87 34.00 57.96 29.07 34.30 57.08 29.80 33.06 57.61 2 0 22.08-999 ?-999 ?-999 ? O2 PO4 A 154 mGLY^B 126 27.99 35.85 58.63 28.87 36.31 58.57 27.11 37.58 60.28 28.26 38.07 60.37 26.85 36.36 59.41-999.99-999.99-999.99 1 0 19.04-999 ?-999 ?-999 ? O2 PO4 A 154 mILE^B 127 26.04 38.08 60.91 25.18 37.65 60.64 25.45 38.88 63.23 24.45 38.14 63.32 26.14 39.16 61.90 25.58 40.55 61.41 3 0 15.45-999 ?-999 ?-999 ? O2 PO4 A 154 mILE^B 128 25.99 39.51 64.27 26.88 39.94 64.08 25.16 41.06 65.91 26.06 41.87 65.74 25.34 39.59 65.55 26.18 38.88 66.59 3 0 13.96-999 ?-999 ?-999 ? O2 PO4 A 154 mTHR^B 129 23.98 41.41 66.41 23.35 40.65 66.58 23.22 43.09 68.10 22.73 42.18 68.77 23.69 42.81 66.68 22.68 43.34 65.66 2 0 11.00-999 ?-999 ?-999 ? O2 PO4 A 154 mARG~B 130 23.38 44.33 68.58 23.88 44.97 67.99 21.37 44.29 69.92 20.88 43.72 70.90 22.86 44.67 69.89 23.03 46.14 70.23 2 0 -9.56-999 ?-999 ?-999 ? O2 PO4 A 154s mLYS~B 131 20.68 44.55 68.81 21.22 44.97 68.08 19.06 42.77 68.80 18.15 42.34 69.50 19.27 44.25 68.66 18.79 44.71 67.30 2 0 11.81-999 ?-999 ?-999 ? O2 PO4 A 154 mSER~B 132 19.92 41.98 68.17 20.69 42.45 67.74 19.99 39.89 69.48 19.40 38.86 69.85 19.70 40.53 68.14 20.56 39.88 67.06 2 0 14.59-999 ?-999 ?-999 ? O2 PO4 A 154 mILE~B 133 20.89 40.50 70.23 21.33 41.31 69.83 20.08 40.35 72.51 19.76 39.56 73.39 21.19 40.00 71.54 22.57 40.44 72.00 3 0 14.72-999 ?-999 ?-999 ? O2 PO4 A 154 mLEU~B 134 19.48 41.52 72.33 19.90 42.11 71.63 17.18 40.89 72.97 16.64 40.41 73.96 18.31 41.88 73.11 17.84 43.25 72.72 3 0 15.00-999 ?-999 ?-999 ? O4 PO4 A 154 mLYS~B 135 16.84 40.56 71.73 17.24 41.14 71.02 16.32 38.25 72.30 15.45 37.69 72.94 15.95 39.44 71.44 16.01 39.06 69.97 2 0 17.88-999 ?-999 ?-999 ? O2 PO4 A 154 mALA~B 136 17.60 37.89 72.34 18.23 38.49 71.85 17.69 36.79 74.54 17.16 35.84 75.12 18.00 36.69 73.06 19.44 36.36 72.83 2 0 19.34-999 ?-999 ?-999 ? O2 PO4 A 154 mVAL~B 137 17.97 37.94 75.16 18.39 38.66 74.61 16.13 38.19 76.79 15.61 37.76 77.81 17.63 38.03 76.58 18.40 39.10 77.38 3 0 19.34-999 ?-999 ?-999 ? O4 PO4 A 154 mASN~B 138 15.44 38.76 75.81 15.97 39.10 75.04 13.34 37.52 76.12 12.19 37.45 76.56 14.00 38.88 75.91 13.40 39.60 74.70 2 0 20.49-999 ?-999 ?-999 ? O4 PO4 A 154 mALA~B 139 14.06 36.44 75.83 14.93 36.61 75.38 13.28 34.95 77.68 12.41 34.17 78.07 13.53 35.11 76.17 14.44 33.99 75.64 2 0 23.73-999 ?-999 ?-999 ? O4 PO4 A 154 mLEU~B 140 14.00 35.70 78.51 14.63 36.33 78.05 12.77 36.51 80.46 12.43 36.49 81.64 13.87 35.62 79.96 15.16 36.05 80.65 3 0 24.32-999 ?-999 ?-999 ? O4 PO4 A 154 mLEU~B 141 12.20 37.30 79.56 12.48 37.11 78.62 9.94 37.85 80.49 9.47 38.35 81.50 11.26 38.35 79.93 10.99 39.25 78.74 3 0 23.91-999 ?-999 ?-999 ? O4 PO4 A 154 mHIS~B 142 9.34 36.87 79.83 9.82 36.56 79.01 8.12 35.93 81.76 7.13 36.05 82.47 8.06 36.32 80.28 7.64 35.12 79.42 3 0 27.49-999 ?-999 ?-999 ? O4 PO4 A 154 mASP~B 143 9.29 35.50 82.21 9.99 35.45 81.49 9.99 36.31 84.50 10.64 36.10 85.53 9.55 35.14 83.60 10.64 34.06 83.66 2 0 28.63-999 ?-999 ?-999 ? O4 PO4 A 154 mPHE~B 144 9.64 37.53 84.11 9.18 37.57 83.23 8.69 39.07 85.74 7.61 38.51 85.53 9.92 38.72 84.93 10.34 39.92 84.06 3 0 26.85-999 ?-999 ?-999 ? O4 PO4 A 154 mSER~B 145 8.84 40.01 86.67 9.75 40.43 86.70 7.72 41.87 87.87 8.77 42.46 88.10 7.74 40.38 87.55 7.79 39.53 88.84 2 0 28.85-999 ?-999 ?-999 ? O4 PO4 A 154 mLYS~B 146 6.52 42.45 87.89 5.78 41.83 87.65 7.26 44.36 89.34 7.64 43.60 90.23 6.30 43.87 88.24 4.85 44.13 88.68 2 0 28.81-999 ?-999 ?-999 ? O4 PO4 A 154 mGLU~B 147 7.66 45.63 89.25 7.20 46.15 88.53 8.30 46.04 91.62 9.13 45.64 92.44 8.68 46.19 90.14 8.94 47.67 89.78 2 0 27.70-999 ?-999 ?-999 ? O4 PO4 A 154 mTYR~B 148 7.04 46.34 91.95 6.46 46.58 91.17 6.39 44.88 93.86 5.85 44.66 94.96 6.57 46.30 93.34 5.28 47.11 93.51 3 0 31.32-999 ?-999 ?-999 ? O4 PO4 A 154 mGLU~B 149 6.82 43.91 93.07 7.08 44.21 92.15 8.33 42.20 94.04 8.58 41.06 94.42 6.91 42.53 93.53 6.41 41.56 92.44 2 0 32.38-999 ?-999 ?-999 ? O4 PO4 A 154 mILE~B 150 9.23 43.20 94.09 8.87 44.05 93.70 11.13 44.26 95.54 10.87 45.43 95.23 10.61 43.06 94.65 11.66 42.73 93.53 3 0 30.91-999 ?-999 ?-999 ? O4 PO4 A 154 mARG~B 151 11.85 43.94 96.63 11.82 42.97 96.85 13.88 44.40 98.12 13.91 43.29 98.66 12.59 44.95 97.44 11.68 45.65 98.47 2 0 31.60-999 ?-999 ?-999 ? O4 PO4 A 154