HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 31-MAR-06 2GJV COMPND PUTATIVE CYTOPLASMIC PROTEIN; COMPND 3 CHAIN: A, B, C, D, E, F; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: SALMONELLA TYPHIMURIUM; SOURCE 3 ORGANISM_TAXID: 602; SOURCE 4 GENE: NP_463080; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3); SOURCE 6 EXPRESSION_SYSTEM_TAXID: 469008; SOURCE 7 EXPRESSION_SYSTEM_STRAIN: BL21-DE3; SOURCE 8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 9 EXPRESSION_SYSTEM_PLASMID: PMCSG7 AUTHOR G.MINASOV,L.SHUVALOVA,J.S.BRUNZELLE,I.I.VORONTSOV,F.R.COLLART, AUTHOR 2 A.JOACHIMIAK,W.F.ANDERSON,MIDWEST CENTER FOR STRUCTURAL GENOMICS AUTHOR 3 (MCSG) HET CL C 152 1 HET CL A 152 1 HET CL E 152 1 HET CL F 152 1 HET CL D 152 1 HET CL B 152 1 HET CA E 153 1 HET CA D 153 1 HET CA A 153 1 HET CA C 153 1 HET CA F 153 1 HET CA A 154 1 HET CA B 153 1 HET CA D 154 1 SITE 1 AC1 3 ASN C 18 PRO C 19 ASP C 20 SITE 1 AC2 5 ASN A 18 ASP A 20 HOH A 165 HOH A 257 SITE 1 AC3 4 ASN E 18 PRO E 19 ASP E 20 HOH E 228 SITE 1 AC4 3 ASN F 18 PRO F 19 ASP F 20 SITE 1 AC5 5 ASN D 18 PRO D 19 ASP D 20 HOH D 251 SITE 1 AC6 5 ASN B 18 PRO B 19 ASP B 20 HOH B 191 SITE 1 AC7 3 GLU A 16 GLU C 16 GLU E 16 SITE 1 AC8 4 GLU B 16 GLU D 16 GLU F 16 HOH F 242 SITE 1 AC9 5 ASN A 56 HOH A 171 HOH A 191 ASN F 56 SITE 1 BC1 4 PRO C 19 HOH C 154 HOH C 155 HOH C 156 SITE 1 BC2 1 PRO F 19 SITE 1 BC3 2 PRO A 19 HOH A 262 SITE 1 BC4 4 PRO B 19 HOH B 162 HOH B 250 HOH B 251 SITE 1 BC5 2 PRO D 19 HOH D 249 mASN.A -1 64.07 78.27 8.09 63.86 78.37 7.11 64.53 76.66 9.95 63.80 75.79 9.47 64.38 78.12 9.54 63.28 78.76 10.39 2 0 21.09-999 ?-999 ?-999 ? CL CL B 152 mALA.A 0 65.48 76.40 10.84 66.01 77.19 11.14 64.62 74.73 12.36 64.08 75.64 13.00 65.69 75.05 11.34 67.07 74.91 11.96 2 0 19.11-999 ?-999 ?-999 ? CL CL B 152 mMET.A 1 64.30 73.45 12.51 64.78 72.83 11.90 63.86 73.11 14.90 65.04 72.81 15.15 63.32 73.02 13.48 62.92 71.57 13.23 2 0 19.27-999 ?-999 ?-999 ? CL CL B 152 mGLU~A 2 62.99 73.55 15.82 62.12 73.85 15.44 62.41 72.45 17.80 61.17 72.53 17.79 63.28 73.57 17.24 62.98 74.93 17.87 2 0 16.66-999 ?-999 ?-999 ? CL CL B 152 mTHR~A 3 63.06 71.39 18.25 64.05 71.47 18.23 61.24 70.54 19.72 60.14 69.97 19.63 62.35 70.20 18.74 63.34 69.22 19.38 2 0 17.76-999 ?-999 ?-999 ? CL CL B 152 mLEU~A 4 61.50 71.49 20.61 62.39 71.92 20.53 59.27 72.46 21.00 58.14 72.18 21.43 60.51 71.83 21.62 61.12 72.71 22.71 3 0 17.44-999 ?-999 ?-999 ? CL CL B 152 mSER~A 5 59.47 73.29 19.98 60.43 73.47 19.76 57.41 72.81 18.64 56.19 72.95 18.73 58.34 73.88 19.25 58.83 74.83 18.15 2 0 19.66-999 ?-999 ?-999 ? CL CL B 152 mVAL~A 6 57.97 71.77 18.02 58.97 71.81 17.98 56.36 70.01 18.56 55.17 69.76 18.40 57.19 70.67 17.45 58.10 69.61 16.76 3 0 20.82-999 ?-999 ?-999 ? CA CA A 154 mILE~A 7 57.01 69.76 19.69 57.98 70.00 19.65 55.23 70.09 21.36 54.13 69.59 21.65 56.37 69.18 20.86 57.45 68.90 21.97 3 0 18.57-999 ?-999 ?-999 ? CA CA A 154 mHIS~A 8 55.46 71.40 21.41 56.39 71.66 21.14 53.25 72.45 20.87 52.10 72.69 21.29 54.42 72.35 21.84 54.96 73.77 22.06 3 0 15.92-999 ?-999 ?-999 ? CA CA A 154 mTHR~A 9 53.55 72.31 19.59 54.52 72.18 19.40 51.56 71.18 18.78 50.36 71.41 18.81 52.53 72.33 18.56 53.15 72.30 17.15 2 0 16.39-999 ?-999 ?-999 ? CA CA A 154 mVAL~A 10 52.09 69.97 18.97 53.09 69.95 18.91 50.41 69.01 20.48 49.18 68.85 20.43 51.27 68.78 19.22 52.14 67.48 19.30 3 0 15.13-999 ?-999 ?-999 ? CL CL A 152 mALA~A 11 51.05 69.48 21.57 52.03 69.61 21.43 49.28 70.82 22.72 48.17 70.65 23.24 50.35 69.75 22.84 51.33 70.13 23.91 2 0 12.50-999 ?-999 ?-999 ? CA CA A 154 mASN~A 12 49.59 71.91 22.03 50.52 71.93 21.66 47.43 72.56 20.99 46.29 72.89 21.33 48.62 72.97 21.86 49.26 74.23 21.32 2 0 11.25-999 ?-999 ?-999 ? CA CA A 154 mARG~A 13 47.67 71.83 19.89 48.64 71.61 19.73 45.62 70.52 19.81 44.41 70.57 19.66 46.57 71.40 19.01 47.03 70.62 17.76 2 0 11.87-999 ?-999 ?-999 ? CL CL A 152 mLEU~A 14 46.20 69.73 20.69 47.19 69.83 20.75 44.62 69.58 22.49 43.42 69.29 22.63 45.46 68.80 21.49 46.46 67.84 22.15 3 0 8.98-999 ?-999 ?-999 ? CL CL A 152 mARG~A 15 45.20 70.60 23.12 46.16 70.74 22.90 43.28 72.18 23.37 42.18 72.27 23.93 44.43 71.44 24.06 45.30 72.44 24.83 2 0 7.19-999 ?-999 ?-999 ? CA CA A 154 mGLU~A 16 43.52 72.69 22.17 44.45 72.53 21.84 41.31 72.57 21.00 40.16 73.00 21.13 42.51 73.43 21.41 43.13 74.10 20.17 2 0 -8.64-999 ?-999 ?-999 ? CA CA A 154s mLEU~A 17 41.58 71.35 20.53 42.55 71.13 20.49 39.89 69.69 21.27 38.81 69.12 21.15 40.51 70.45 20.10 41.03 69.45 19.06 3 0 7.16-999 ?-999 ?-999 ? CL CL A 152 mASN~A 18 40.58 69.67 22.41 41.44 70.18 22.37 40.31 69.80 24.83 41.17 69.48 25.66 40.12 68.96 23.59 40.92 67.67 23.72 2 0 -3.66-999 ?-999 ?-999 ? CL CL A 152s mPRO.A 19 39.53 70.89 24.97 38.86 71.02 24.24 39.49 71.16 27.50 39.94 71.74 28.50 39.67 71.80 26.13 38.59 72.87 25.89 3 0 -4.24-999 ?-999 ?-999 ? CA CA A 154s mASP.A 20 38.85 70.00 27.58 38.52 69.63 26.71 39.67 68.19 29.14 39.40 67.29 29.93 38.69 69.34 28.87 37.22 68.96 29.14 2 0 -3.42-999 ?-999 ?-999 ? CL CL A 152s mMET^A 21 40.82 68.23 28.46 40.88 68.96 27.79 43.04 67.99 29.36 43.33 69.14 29.00 41.88 67.27 28.72 42.40 66.62 27.43 2 0 4.83-999 ?-999 ?-999 ? CL CL A 152 mASP^A 22 43.71 67.32 30.30 43.32 66.43 30.53 46.12 67.36 30.13 46.46 66.19 30.17 44.91 67.86 30.92 45.04 67.46 32.39 2 0 7.11-999 ?-999 ?-999 ? CA CA A 154 mILE^A 23 46.76 68.28 29.42 46.41 69.21 29.53 49.18 68.38 29.17 49.34 69.55 29.53 47.87 67.92 28.56 47.70 68.56 27.14 3 0 9.17-999 ?-999 ?-999 ? CA CA A 154 mHIS^A 24 50.12 67.45 29.30 49.88 66.54 28.98 52.59 67.35 29.05 52.50 66.40 28.26 51.41 67.80 29.88 51.57 67.15 31.26 3 0 12.12-999 ?-999 ?-999 ? CA CA A 154 mILE.A 25 53.69 68.05 29.26 53.53 68.85 29.84 55.79 67.51 30.04 56.28 68.46 30.66 55.01 67.72 28.74 55.59 68.84 27.89 3 0 15.46-999 ?-999 ?-999 ? CA CA A 154 mSER.A 26 55.87 66.25 30.46 55.51 65.59 29.80 57.81 65.22 31.70 58.23 64.63 30.69 56.43 65.87 31.75 55.43 64.91 32.42 2 0 17.57-999 ?-999 ?-999 ? CA CA A 154 mSER.A 27 58.51 65.32 32.84 58.05 65.86 33.54 59.64 63.26 33.53 60.60 62.47 33.55 59.81 64.69 33.02 60.67 65.50 34.00 2 0 21.27-999 ?-999 ?-999 ? CA CA A 154 mTHR.A 28 58.42 62.93 33.94 57.77 63.68 33.87 57.60 60.70 33.33 56.90 61.14 32.43 58.07 61.61 34.45 56.90 61.71 35.47 2 0 21.53-999 ?-999 ?-999 ? CA CA A 154 mASP.A 29 58.00 59.44 33.38 58.60 59.23 34.16 56.08 58.26 32.53 55.56 58.16 33.64 57.58 58.45 32.39 58.29 57.12 32.68 2 0 22.64-999 ?-999 ?-999 ? CL CL A 152 mALA.A 30 55.40 58.22 31.40 55.98 58.32 30.59 53.46 56.66 31.83 52.27 56.47 32.08 53.94 58.03 31.33 53.45 58.26 29.93 2 0 19.43-999 ?-999 ?-999 ? CL CL A 152 mLYS.A 31 54.40 55.73 31.98 55.32 56.03 31.74 53.74 54.42 33.95 53.02 53.56 34.45 54.09 54.39 32.46 55.31 53.49 32.23 2 0 21.86-999 ?-999 ?-999 ? CL CL A 152 mVAL.A 32 54.25 55.44 34.65 54.74 56.10 34.08 53.45 56.87 36.56 52.97 56.96 37.70 54.09 55.56 36.09 55.45 55.35 36.81 3 0 22.54-999 ?-999 ?-999 ? CL CL A 152 mTYR.A 33 53.44 57.87 35.69 53.85 57.65 34.81 51.48 59.12 36.63 50.60 58.42 36.11 52.90 59.18 36.02 52.93 60.08 34.78 3 0 19.79-999 ?-999 ?-999 ? CA CA A 154 mILE.A 34 51.27 59.87 37.70 52.08 60.36 38.02 49.26 61.30 38.06 49.74 62.35 38.47 49.95 59.96 38.35 50.05 59.82 39.90 3 0 18.46-999 ?-999 ?-999 ? CA CA A 154 mPRO.A 35 48.12 61.27 37.34 47.85 60.37 37.01 46.72 63.05 38.37 46.20 62.27 39.16 47.37 62.52 37.10 46.28 62.11 36.10 3 0 14.75-999 ?-999 ?-999 ? CA CA A 154 mTHR.A 36 46.74 64.37 38.53 47.19 64.85 37.77 44.81 65.69 39.43 44.03 65.86 40.36 46.18 65.07 39.68 47.10 66.22 40.12 2 0 14.05-999 ?-999 ?-999 ? CA CA A 154 mGLY.A 37 44.54 66.03 38.17 45.26 65.80 37.52 42.10 65.76 37.64 42.25 64.54 37.58 43.29 66.69 37.80-999.99-999.99-999.99 1 0 10.78-999 ?-999 ?-999 ? CA CA A 154 mGLN.A 38 40.91 66.33 37.55 40.91 67.32 37.60 39.39 65.18 35.92 38.38 64.54 35.63 39.72 65.49 37.40 38.53 66.08 38.17 2 0 11.05-999 ?-999 ?-999 ? CA CA A 154 mGLN.A 39 40.28 65.59 35.02 41.09 66.02 35.41 40.97 64.31 33.01 41.86 63.82 33.69 40.08 65.43 33.59 40.35 66.77 32.90 2 0 8.12-999 ?-999 ?-999 ? CL CL A 152 mVAL^A 40 40.67 63.89 31.78 39.86 64.33 31.39 42.83 63.49 30.83 42.94 64.61 30.36 41.44 62.88 31.06 40.77 62.56 29.69 3 0 7.71-999 ?-999 ?-999 ? CL CL A 152 mTHR^A 41 43.87 62.73 31.18 43.62 61.82 31.49 46.09 62.58 29.97 46.08 61.37 29.75 45.26 63.20 31.12 45.94 62.97 32.50 2 0 9.96-999 ?-999 ?-999 ? CL CL A 152 mVAL^A 42 46.81 63.44 29.24 46.71 64.39 29.51 49.03 63.59 28.30 49.16 64.81 28.51 47.65 62.99 28.14 47.07 63.40 26.73 3 0 11.01-999 ?-999 ?-999 ? CL CL A 152 mLEU^A 43 50.06 62.74 28.22 49.79 61.78 28.09 52.12 63.12 26.94 52.08 62.09 26.26 51.43 63.18 28.31 52.24 62.36 29.32 3 0 14.45-999 ?-999 ?-999 ? CL CL A 152 mILE^A 44 52.76 64.22 26.57 52.71 64.97 27.22 54.95 64.06 25.59 55.48 64.63 26.54 53.47 64.30 25.30 53.25 65.68 24.63 3 0 15.98-999 ?-999 ?-999 ? CL CL A 152 mHIS^A 45 55.59 63.19 24.81 55.02 62.79 24.09 57.80 62.75 23.70 57.36 62.15 22.72 57.00 62.85 25.01 57.09 61.53 25.81 3 0 19.75-999 ?-999 ?-999 ? CL CL A 152 mTYR^A 46 58.98 63.36 23.68 59.19 63.88 24.50 60.71 62.01 22.73 61.50 61.92 23.66 59.87 63.26 22.54 60.77 64.49 22.44 3 0 22.26-999 ?-999 ?-999 ? CL CL B 152 mCYH^A 47 60.53 61.04 21.84 59.88 61.26 21.11 62.68 59.82 21.42 63.58 59.23 22.02 61.22 59.77 21.94 60.42 58.70 21.20 2 0 24.01-999 ?-999 ?-999 ? CL CL B 152 mGLY^A 48 62.89 60.52 20.32 62.07 60.95 19.93 64.15 60.80 18.23 63.07 60.97 17.67 64.21 60.66 19.74-999.99-999.99-999.99 1 0 22.24-999 ?-999 ?-999 ? CL CL B 152 mSER^A 49 65.31 60.73 17.58 66.10 60.63 18.18 66.44 59.85 15.58 67.35 59.41 16.28 65.38 60.80 16.12 65.74 62.21 15.64 2 0 20.42-999 ?-999 ?-999 ? CA CA A 153 mVAL^A 50 66.28 59.52 14.31 65.44 59.85 13.89 67.60 59.68 12.45 66.69 60.33 11.90 67.26 58.74 13.60 66.68 57.38 13.12 3 0 17.08-999 ?-999 ?-999 ? CA CA A 153 mPHE^A 51 68.89 59.80 12.15 69.49 59.25 12.73 69.99 59.83 9.99 70.86 59.00 10.25 69.39 60.67 11.08 70.48 61.62 11.58 3 0 14.05-999 ?-999 ?-999 ? CA CA A 153 mALA.A 52 69.54 60.05 8.76 68.81 60.74 8.70 71.38 60.03 7.21 71.56 61.22 7.47 70.08 59.35 7.61 69.08 59.37 6.45 2 0 10.82-999 ?-999 ?-999 ? CA CA A 153 mGLU.A 53 72.26 59.28 6.59 72.00 58.32 6.49 73.20 60.86 5.03 72.11 60.86 4.46 73.51 59.81 6.08 74.29 58.70 5.38 2 0 7.56-999 ?-999 ?-999 ? CA CA A 153 mPRO.A 54 74.13 61.82 4.82 74.88 61.85 5.48 74.04 61.91 2.39 74.94 61.08 2.23 73.98 62.74 3.68 75.22 63.64 3.80 3 0 7.13-999 ?-999 ?-999 ? CA CA A 153 mGLU.A 55 73.09 62.14 1.50 72.48 62.89 1.75 73.95 61.69 -0.84 73.56 62.21 -1.89 72.96 61.37 0.26 71.54 61.52 -0.29 2 0 5.99-999 ?-999 ?-999 ? CA CA A 153 mASN.A 56 75.22 61.35 -0.61 75.35 60.90 0.28 76.43 63.07 -1.90 76.50 63.45 -3.07 76.31 61.59 -1.55 76.15 60.76 -2.83 2 0 -4.40-999 ?-999 ?-999 ? CA CA A 153s mTHR.A 57 76.47 63.92 -0.87 76.44 63.48 0.03 77.76 66.03 -0.44 78.30 65.53 0.54 76.54 65.36 -1.08 75.27 66.05 -0.57 2 0 7.74-999 ?-999 ?-999 ? CA CA A 153 mASP.A 58 78.17 67.15 -1.04 77.66 67.37 -1.87 78.88 68.66 0.79 79.74 68.98 1.62 79.26 67.99 -0.52 79.60 69.08 -1.53 2 0 10.29-999 ?-999 ?-999 ? CA CA A 153 mALA.A 59 77.58 68.89 0.98 77.00 68.57 0.23 76.58 68.53 3.17 75.99 67.53 2.81 77.07 69.55 2.15 75.94 70.52 1.76 2 0 11.91-999 ?-999 ?-999 ? CA CA A 153 mTHR.A 60 76.85 68.78 4.45 77.42 69.59 4.60 74.92 68.35 5.77 74.66 69.33 6.48 76.35 67.92 5.51 77.21 67.98 6.80 2 0 11.51-999 ?-999 ?-999 ? CA CA A 153 mVAL^A 61 74.01 67.61 5.15 74.42 66.86 4.64 71.99 66.43 5.46 72.30 65.48 4.73 72.57 67.82 5.19 72.11 68.35 3.80 3 0 12.34-999 ?-999 ?-999 ? CA CA A 153 mGLN^A 62 71.17 66.28 6.50 70.95 67.12 7.00 69.17 64.90 7.05 68.63 65.75 7.75 70.67 64.95 6.82 71.39 64.36 8.05 2 0 12.07-999 ?-999 ?-999 ? CA CA A 153 mLYS^A 63 68.53 63.89 6.49 69.10 63.29 5.93 66.90 63.13 8.10 67.61 62.21 8.52 67.09 63.68 6.68 66.54 62.73 5.61 2 0 13.82-999 ?-999 ?-999 ? CA CA A 153 mGLN^A 64 65.97 63.74 8.83 65.46 64.44 8.34 64.28 62.93 10.43 63.33 63.62 10.06 65.71 63.40 10.22 65.99 64.63 11.11 2 0 16.67-999 ?-999 ?-999 ? CA CA A 153 mLEU^A 65 64.13 61.75 11.03 64.99 61.30 11.25 62.64 61.28 12.85 63.36 60.64 13.61 62.81 61.19 11.34 62.70 59.74 10.85 3 0 18.98-999 ?-999 ?-999 ? CA CA A 153 mILE^A 66 61.67 62.08 13.26 61.14 62.45 12.50 60.27 61.50 15.21 59.24 61.30 14.56 61.36 62.40 14.63 60.86 63.87 14.66 3 0 22.36-999 ?-999 ?-999 ? CA CA A 153 mARG^A 67 60.49 60.99 16.42 61.38 61.22 16.81 58.90 60.84 18.34 59.61 61.32 19.23 59.49 60.16 17.11 60.00 58.75 17.43 2 0 24.57-999 ?-999 ?-999 ? CL CL A 152 mILE^A 68 57.57 60.88 18.36 57.15 60.41 17.59 55.69 60.63 19.88 55.01 59.98 19.08 56.80 61.54 19.40 56.18 62.85 18.84 3 0 20.98-999 ?-999 ?-999 ? CL CL A 152 mSER^A 69 55.48 60.58 21.20 56.13 61.11 21.75 53.39 60.69 22.48 53.77 61.76 22.96 54.38 59.79 21.74 54.86 58.64 22.64 2 0 18.77-999 ?-999 ?-999 ? CL CL A 152 mALA^A 70 52.14 60.26 22.51 51.97 59.45 21.93 50.45 59.72 24.05 49.96 58.79 23.43 51.10 60.90 23.31 50.10 61.63 22.44 2 0 15.08-999 ?-999 ?-999 ? CL CL A 152 mTHR^A 71 50.50 59.74 25.38 50.92 60.57 25.75 48.79 59.08 27.03 48.89 60.03 27.81 49.99 58.65 26.21 51.10 58.13 27.17 2 0 15.05-999 ?-999 ?-999 ? CL CL A 152 mVAL^A 72 47.67 58.37 26.87 47.74 57.65 26.17 46.56 57.87 28.97 47.04 56.72 28.99 46.47 58.65 27.65 45.13 58.38 26.88 3 0 12.49-999 ?-999 ?-999 ? CL CL A 152 mILE^A 73 46.15 58.52 30.06 45.81 59.44 29.87 44.87 58.26 32.09 44.59 59.40 32.46 46.21 57.96 31.40 47.36 58.61 32.20 3 0 13.79-999 ?-999 ?-999 ? CL CL A 152 mVAL^A 74 44.01 57.24 32.21 44.34 56.37 31.85 42.32 56.10 33.55 42.77 55.04 33.13 42.70 57.42 32.82 41.60 57.80 31.77 3 0 13.10-999 ?-999 ?-999 ? CL CL A 152 mPRO.A 75 41.49 56.18 34.62 41.14 57.09 34.83 40.37 53.84 34.65 40.72 52.66 34.81 41.14 54.96 35.38 40.33 55.49 36.58 3 0 16.00-999 ?-999 ?-999 ? CL CL A 152 mGLN~A 76 39.35 54.17 33.87 39.15 55.15 33.82 39.15 52.79 31.76 39.50 53.70 30.97 38.60 53.13 33.16 37.11 53.47 33.13 2 0 16.08-999 ?-999 ?-999 ? CL CL A 152 mILE~A 77 39.25 51.49 31.48 38.95 50.89 32.23 38.99 51.58 28.99 39.60 52.03 28.02 39.75 50.98 30.20 39.77 49.40 30.19 3 0 17.18-999 ?-999 ?-999 ? CL CL A 152 mSER~A 78 37.67 51.63 29.09 37.33 51.28 29.96 37.01 53.65 27.78 36.94 54.12 26.64 36.81 52.15 28.04 35.35 51.85 28.39 2 0 15.55-999 ?-999 ?-999 ? CL CL A 152 mASP~A 79 37.23 54.41 28.86 37.21 53.91 29.72 38.87 56.11 28.12 39.04 57.07 27.36 37.49 55.85 28.77 37.38 56.51 30.15 2 0 12.01-999 ?-999 ?-999 ? CL CL A 152 mALA~A 80 39.83 55.25 28.42 39.55 54.54 29.06 41.18 55.06 26.34 41.90 55.72 25.58 41.18 55.34 27.85 42.12 54.36 28.58 2 0 12.78-999 ?-999 ?-999 ? CL CL A 152 mILE~A 81 40.38 54.09 25.91 39.87 53.63 26.64 39.52 54.83 23.70 39.89 55.15 22.55 40.27 53.75 24.50 39.66 52.35 24.30 3 0 14.10-999 ?-999 ?-999 ? CL CL A 152 mASN~A 82 38.49 55.41 24.30 38.25 55.04 25.20 38.74 57.69 23.48 38.83 58.25 22.40 37.79 56.51 23.65 36.52 56.92 24.41 2 0 11.31-999 ?-999 ?-999 ? CL CL A 152 mALA~A 83 39.48 58.02 24.53 39.34 57.44 25.33 41.46 58.97 23.43 41.89 59.94 22.80 40.40 59.16 24.50 41.06 59.38 25.86 2 0 8.91-999 ?-999 ?-999 ? CL CL A 152 mLEU~A 84 41.84 57.71 23.22 41.37 57.04 23.79 42.37 57.65 20.82 43.15 58.08 19.96 42.86 57.35 22.24 43.21 55.87 22.42 3 0 12.00-999 ?-999 ?-999 ? CL CL A 152 mASP~A 85 41.08 57.42 20.58 40.60 57.02 21.36 40.45 59.22 19.05 40.60 59.66 17.93 40.45 57.71 19.29 38.99 57.19 19.25 2 0 12.23-999 ?-999 ?-999 ? CL CL A 152 mARG~A 86 40.26 60.01 20.12 40.11 59.50 20.97 41.62 62.04 19.66 41.70 63.02 18.93 40.26 61.48 20.05 39.85 62.13 21.38 2 0 8.89-999 ?-999 ?-999 ? CL CL A 152 mLEU~A 87 42.68 61.43 20.18 42.47 60.65 20.77 44.42 61.72 18.44 44.98 62.63 17.82 44.03 61.89 19.90 45.04 61.11 20.72 3 0 10.42-999 ?-999 ?-999 ? CL CL A 152 mARG~A 88 44.15 60.55 17.89 43.65 59.91 18.48 43.76 61.13 15.55 44.31 61.61 14.55 44.56 60.26 16.53 44.47 58.76 16.23 2 0 13.76-999 ?-999 ?-999 ? CL CL A 152 mARG~A 89 42.48 61.33 15.86 42.18 60.84 16.68 42.08 63.64 15.22 41.96 64.41 14.26 41.61 62.20 15.09 40.14 62.09 15.57 2 0 12.79-999 ?-999 ?-999 ? CL CL A 152 mSER~A 90 42.60 64.02 16.39 42.59 63.31 17.09 44.51 65.61 15.97 44.79 66.71 15.50 43.12 65.38 16.60 43.25 65.72 18.10 2 0 11.07-999 ?-999 ?-999 ? CL CL A 152 mLEU~A 91 45.36 64.58 15.97 44.95 63.71 16.25 47.19 64.28 14.19 48.12 64.85 13.60 46.77 64.74 15.57 47.70 64.12 16.64 3 0 14.07-999 ?-999 ?-999 ? CL CL A 152 mGLY~A 92 46.53 63.23 13.68 45.82 62.86 14.27 46.77 63.75 11.28 45.73 64.42 11.12 46.85 62.70 12.36-999.99-999.99-999.99 1 0 17.11-999 ?-999 ?-999 ? CL CL A 152 mGLY.A 93 47.87 63.93 10.55 48.65 63.38 10.85 48.10 66.33 9.62 48.02 67.10 8.66 47.93 64.84 9.41-999.99-999.99-999.99 1 0 19.67-999 ?-999 ?-999 ? CL CL A 152 mILE.A 94 48.34 66.77 10.86 48.41 66.06 11.56 49.83 68.69 10.60 50.76 67.90 10.48 48.48 68.21 11.10 48.32 68.61 12.60 3 0 18.38-999 ?-999 ?-999 ? CL CL A 152 mGLU.A 95 49.92 69.98 10.29 49.06 70.49 10.35 52.01 70.88 11.14 51.46 71.28 12.18 51.19 70.57 9.88 51.02 71.85 9.05 2 0 21.21-999 ?-999 ?-999 ? CL CL A 152 mLEU.A 96 53.31 70.67 11.04 53.60 70.29 10.16 55.20 72.06 11.61 55.51 72.11 10.41 54.24 70.97 12.11 54.97 69.68 12.53 3 0 21.81-999 ?-999 ?-999 ? CL CL A 152 mPRO.A 97 55.66 72.95 12.52 55.37 72.83 13.47 57.92 73.49 11.65 58.49 72.64 12.33 56.54 74.01 12.05 56.63 74.96 13.25 3 0 23.83-999 ?-999 ?-999 ? CA CA A 154 mASP.A 98 58.41 73.98 10.52 57.79 74.63 10.07 59.88 72.11 9.70 60.99 71.59 9.69 59.72 73.63 9.99 60.81 74.17 10.92 2 0 24.02-999 ?-999 ?-999 ? CL CL B 152 mCYH.A 99 58.76 71.42 9.49 57.93 71.96 9.61 58.39 69.88 7.63 57.64 70.71 7.12 58.76 70.00 9.10 57.77 69.21 9.95 2 0 24.30-999 ?-999 ?-999 ? CA CA A 153 mASP.A 100 58.88 68.84 6.94 59.39 68.17 7.48 57.42 67.97 5.03 57.20 67.78 3.82 58.65 68.75 5.49 59.94 68.41 4.71 2 0 22.67-999 ?-999 ?-999 ? CA CA A 153 mARG.A 101 56.61 67.53 5.98 56.91 67.75 6.91 54.49 66.78 6.92 54.94 67.14 8.00 55.38 66.78 5.68 55.70 65.33 5.27 2 0 24.75-999 ?-999 ?-999 ? CA CA A 153 mPRO.A 102 53.21 66.42 6.77 52.91 66.21 5.84 52.77 65.29 8.99 53.59 64.40 8.71 52.37 66.37 7.96 50.98 66.04 7.39 3 0 23.25-999 ?-999 ?-999 ? CL CL A 152 mLEU.A 103 52.19 65.41 10.18 51.60 66.21 10.30 51.73 63.14 10.80 50.57 63.14 10.37 52.40 64.44 11.23 51.84 64.96 12.55 3 0 21.03-999 ?-999 ?-999 ? CL CL A 152 mTRP^A 104 52.49 62.05 10.87 53.41 62.23 11.22 51.84 59.84 11.73 52.60 59.92 12.68 52.02 60.73 10.50 53.05 60.10 9.55 3 0 22.14-999 ?-999 ?-999 ? CL CL A 152 mLEU^A 105 50.82 59.00 11.72 50.23 59.09 10.91 51.50 56.81 12.55 51.64 56.38 11.41 50.60 58.04 12.80 49.14 57.59 12.84 3 0 20.73-999 ?-999 ?-999 ? CL CL A 152 mGLU^A 106 52.09 56.26 13.61 51.89 56.71 14.48 52.31 53.86 14.15 52.13 52.82 13.50 52.95 55.08 13.48 54.34 55.35 14.06 2 0 23.29-999 ?-999 ?-999 ? CL CL A 152 mSER^A 107 51.98 53.99 15.43 52.19 54.88 15.84 50.66 53.31 17.43 50.82 54.42 17.91 51.37 52.89 16.15 52.42 51.83 16.50 2 0 22.28-999 ?-999 ?-999 ? CL CL A 152 mGLU^A 108 49.88 52.39 17.97 49.78 51.57 17.40 49.61 51.32 20.08 49.62 50.20 19.58 49.23 52.54 19.26 47.70 52.60 19.15 2 0 20.03-999 ?-999 ?-999 ? CL CL A 152 mLYS^A 109 49.95 51.54 21.35 49.93 52.49 21.65 49.89 50.55 23.66 49.85 51.65 24.21 50.30 50.41 22.20 51.79 50.05 22.09 2 0 21.54-999 ?-999 ?-999 ? CL CL A 152 mTYR^A 110 49.56 49.41 24.25 49.59 48.61 23.66 50.47 49.52 26.47 51.44 48.79 26.28 49.20 49.37 25.65 48.46 48.06 25.98 3 0 21.44-999 ?-999 ?-999 ? CL CL A 152 mILE^A 111 50.45 50.48 27.38 49.58 50.97 27.43 51.54 50.05 29.54 52.51 49.41 29.94 51.59 50.79 28.21 51.69 52.32 28.41 3 0 21.79-999 ?-999 ?-999 ? CL CL A 152 mGLY^A 112 50.40 50.12 30.23 49.69 50.67 29.79 49.01 49.92 32.27 48.19 50.65 31.73 50.23 49.44 31.51-999.99-999.99-999.99 1 0 22.61-999 ?-999 ?-999 ? CL CL A 152 mASP~A 113 48.90 49.51 33.53 49.64 48.90 33.82 48.29 50.36 35.77 47.58 50.26 36.76 47.78 49.93 34.38 46.75 48.81 34.52 2 0 21.87-999 ?-999 ?-999 ? CL CL A 152 mALA~A 114 49.54 50.85 35.83 50.01 50.89 34.95 49.23 52.23 37.89 48.65 53.16 37.32 50.12 51.27 37.10 51.50 51.88 36.90 2 0 23.18-999 ?-999 ?-999 ? CL CL A 152 mALA~A 115 49.10 51.95 39.18 49.57 51.10 39.45 46.88 52.97 39.79 46.27 53.96 40.20 48.35 52.77 40.13 49.05 54.11 40.32 2 0 22.94-999 ?-999 ?-999 ? CL CL A 152 mASN~A 116 46.33 52.00 39.06 46.98 51.29 38.80 44.56 53.02 37.60 43.45 53.51 37.53 44.92 51.99 38.68 44.00 52.08 39.91 2 0 21.24-999 ?-999 ?-999 ? CL CL A 152 mPHE~A 117 45.53 53.36 36.78 46.43 52.98 37.00 45.69 53.42 34.42 46.79 52.89 34.36 45.28 54.22 35.64 46.08 55.52 35.70 3 0 18.01-999 ?-999 ?-999 ? CL CL A 152 mCYH^A 118 44.76 53.32 33.48 43.90 53.77 33.73 45.73 53.57 31.27 45.34 54.72 31.05 44.97 52.64 32.22 43.62 52.21 31.66 2 0 17.63-999 ?-999 ?-999 ? CL CL A 152 mARG^A 119 46.82 53.05 30.71 46.97 52.09 30.92 47.91 53.24 28.48 48.37 52.09 28.34 47.71 53.83 29.85 49.08 53.95 30.55 2 0 17.31-999 ?-999 ?-999 ? CL CL A 152 mTYR^A 120 47.56 54.03 27.47 47.16 54.89 27.77 48.49 54.78 25.30 48.16 55.95 25.41 47.73 53.68 26.05 46.39 53.47 25.35 3 0 17.03-999 ?-999 ?-999 ? CL CL A 152 mALA^A 121 49.50 54.39 24.53 49.66 53.40 24.51 50.06 55.37 22.27 49.97 54.32 21.61 50.29 55.36 23.79 51.78 55.17 24.08 2 0 17.57-999 ?-999 ?-999 ? CL CL A 152 mLEU^A 122 49.94 56.58 21.73 49.87 57.32 22.39 51.33 57.30 19.92 51.79 58.32 20.43 49.93 56.78 20.28 48.86 57.79 19.88 3 0 17.20-999 ?-999 ?-999 ? CL CL A 152 mASP^A 123 52.03 56.56 19.08 51.56 55.73 18.80 53.19 57.56 17.22 52.41 57.08 16.39 53.35 56.93 18.59 54.24 55.70 18.51 2 0 20.23-999 ?-999 ?-999 ? CL CL A 152 mMET^A 124 53.91 58.65 16.98 54.53 58.91 17.72 55.17 59.76 15.19 56.16 59.74 15.91 53.79 59.38 15.72 52.99 60.66 15.97 2 0 20.70-999 ?-999 ?-999 ? CL CL A 152 mTHR^A 125 55.23 60.10 13.91 54.38 60.02 13.39 56.34 61.84 12.57 55.29 62.13 11.97 56.49 60.54 13.35 57.15 59.50 12.43 2 0 23.64-999 ?-999 ?-999 ? CL CL A 152 mALA^A 126 57.43 62.61 12.60 58.17 62.25 13.18 58.85 63.76 11.09 59.71 62.92 11.38 57.54 63.85 11.88 57.55 65.02 12.82 2 0 24.15-999 ?-999 ?-999 ? CA CA A 153 mSER^A 127 59.00 64.63 10.09 58.25 65.27 9.95 60.73 65.99 9.04 59.95 66.91 8.81 60.20 64.60 9.29 59.90 63.93 7.96 2 0 20.94-999 ?-999 ?-999 ? CA CA A 153 mTHR^A 128 62.05 66.14 9.06 62.56 65.30 9.25 64.08 67.28 8.21 64.61 66.18 8.06 62.68 67.43 8.81 62.72 68.31 10.12 2 0 19.88-999 ?-999 ?-999 ? CA CA A 153 mLEU^A 129 64.69 68.40 7.86 64.17 69.24 8.01 67.01 69.04 8.20 66.88 70.24 8.44 66.03 68.33 7.29 66.04 68.93 5.90 3 0 17.30-999 ?-999 ?-999 ? CA CA A 153 mPHE^A 130 67.96 68.31 8.77 67.89 67.32 8.61 70.04 69.52 8.59 70.57 68.80 7.75 69.00 68.94 9.56 69.68 67.97 10.53 3 0 17.00-999 ?-999 ?-999 ? CA CA A 153 mILE^A 131 70.31 70.81 8.70 69.78 71.29 9.41 72.42 71.98 8.72 72.20 72.88 9.54 71.30 71.45 7.84 70.68 72.59 6.95 3 0 16.92-999 ?-999 ?-999 ? CA CA A 153 mALA.A 132 73.61 71.41 8.57 73.65 70.71 7.86 75.26 73.18 9.08 75.21 73.63 7.93 74.75 71.79 9.39 75.88 70.78 9.26 2 0 17.01-999 ?-999 ?-999 ? CA CA A 153 mGLU.A 133 75.76 73.85 10.12 75.67 73.36 10.99 77.61 75.07 9.12 78.34 74.08 9.20 76.37 75.17 9.99 76.82 75.69 11.36 2 0 17.54-999 ?-999 ?-999 ? CL CL B 152 mGLN.A 134 77.83 76.09 8.29 77.12 76.79 8.31 79.77 77.46 7.66 79.36 78.53 7.19 79.02 76.16 7.42 78.65 76.06 5.93 2 0 19.76-999 ?-999 ?-999 ? CA CA A 153 mASN.B -1 99.12 61.37 8.68 99.16 61.55 7.70 97.89 60.21 10.58 96.75 60.39 10.12 99.07 61.09 10.15 99.08 62.39 10.94 2 0 20.51-999 ?-999 ?-999 ? CL CL C 152 mALA.B 0 98.18 59.27 11.48 99.14 59.24 11.75 96.30 59.10 13.01 96.75 60.00 13.73 97.17 58.37 11.99 97.80 57.14 12.60 2 0 18.51-999 ?-999 ?-999 ? CL CL C 152 mMET.B 1 95.04 58.70 13.05 94.81 57.96 12.41 94.35 58.90 15.44 94.60 57.73 15.76 94.09 59.28 13.96 92.68 58.87 13.56 2 0 19.03-999 ?-999 ?-999 ? CL CL C 152 mGLU~B 2 94.30 59.91 16.30 94.16 60.80 15.86 93.02 59.94 18.29 92.44 61.03 18.22 94.43 59.75 17.74 95.38 60.80 18.30 2 0 16.72-999 ?-999 ?-999 ? CL CL C 152 mTHR~B 3 92.45 58.85 18.80 93.05 58.05 18.82 90.78 59.92 20.33 89.77 60.62 20.22 91.08 58.83 19.29 90.72 57.42 19.83 2 0 17.97-999 ?-999 ?-999 ? CL CL C 152 mLEU~B 4 91.69 60.10 21.28 92.48 59.49 21.22 91.50 62.53 21.75 90.74 63.38 22.23 91.54 61.10 22.33 92.63 60.93 23.38 3 0 17.72-999 ?-999 ?-999 ? CL CL C 152 mSER~B 5 92.30 62.78 20.71 92.91 62.03 20.47 90.90 64.34 19.40 90.42 65.47 19.43 92.27 64.07 20.01 93.34 64.13 18.93 2 0 19.73-999 ?-999 ?-999 ? CL CL C 152 mVAL~B 6 90.27 63.31 18.84 90.77 62.44 18.87 87.89 63.84 19.27 87.07 64.71 19.02 88.95 63.47 18.23 88.55 62.22 17.39 3 0 21.38-999 ?-999 ?-999 ? CA CA B 153 mILE~B 7 87.92 63.21 20.45 88.64 62.53 20.56 87.20 64.91 22.10 86.26 65.60 22.49 86.92 63.54 21.46 86.69 62.39 22.51 3 0 18.78-999 ?-999 ?-999 ? CA CA B 153 mHIS~B 8 88.47 65.30 22.18 89.13 64.61 21.89 88.33 67.70 21.69 87.92 68.76 22.13 88.85 66.63 22.66 90.36 66.82 22.81 3 0 16.46-999 ?-999 ?-999 ? CA CA B 153 mTHR~B 9 88.36 67.43 20.39 88.76 66.53 20.18 86.36 68.57 19.59 85.92 69.72 19.64 87.86 68.35 19.38 88.12 67.83 17.93 2 0 17.08-999 ?-999 ?-999 ? CA CA B 153 mVAL~B 10 85.61 67.47 19.72 86.13 66.63 19.60 83.87 68.27 21.30 83.00 69.14 21.33 84.16 67.50 20.00 83.56 66.06 20.10 3 0 15.34-999 ?-999 ?-999 ? CL CL B 152 mALA~B 11 84.62 67.96 22.36 85.28 67.24 22.18 84.82 70.13 23.61 84.12 70.93 24.18 84.48 68.64 23.66 85.32 67.95 24.71 2 0 12.97-999 ?-999 ?-999 ? CA CA B 153 mASN~B 12 85.91 70.48 22.93 86.39 69.71 22.51 85.33 72.71 22.03 85.03 73.86 22.38 86.34 71.88 22.83 87.71 71.96 22.15 2 0 11.97-999 ?-999 ?-999 ? CA CA B 153 mARG~B 13 84.83 72.12 20.95 85.20 71.20 20.78 82.58 73.09 20.90 82.06 74.19 20.82 83.85 72.76 20.09 83.55 71.86 18.88 2 0 12.05-999 ?-999 ?-999 ? CL CL B 152 mLEU~B 14 82.10 72.12 21.68 82.58 71.25 21.60 81.17 73.44 23.59 80.27 74.23 23.82 80.96 72.34 22.56 80.56 71.08 23.31 3 0 9.06-999 ?-999 ?-999 ? CL CL B 152 mARG~B 15 82.36 73.47 24.20 82.99 72.76 23.91 82.67 75.89 24.71 82.04 76.77 25.31 82.67 74.47 25.22 84.01 74.21 25.92 2 0 7.70-999 ?-999 ?-999 ? CA CA B 153 mGLU~B 16 83.39 76.12 23.61 83.85 75.31 23.24 82.13 77.96 22.58 81.85 79.14 22.71 83.48 77.44 23.02 84.44 77.43 21.83 2 0 -8.82-999 ?-999 ?-999 ? CL CL B 152s mLEU~B 17 81.27 77.08 22.09 81.60 76.14 22.07 78.89 77.50 22.73 77.82 78.07 22.56 79.94 77.51 21.64 79.44 76.64 20.47 3 0 7.03-999 ?-999 ?-999 ? CL CL B 152 mASN~B 18 79.18 76.85 23.85 80.10 76.46 23.88 78.88 76.88 26.29 79.03 75.90 27.03 78.20 76.71 24.93 77.54 75.32 24.86 2 0 -3.63-999 ?-999 ?-999 ? CL CL B 152s mPRO.B 19 79.25 78.13 26.65 78.97 78.84 26.01 79.36 78.09 29.21 80.05 77.90 30.19 80.02 78.40 27.87 80.28 79.92 27.78 3 0 4.29-999 ?-999 ?-999 ? CL CL B 152s mASP.B 20 78.03 78.05 29.27 77.55 78.21 28.40 77.12 76.29 30.76 76.50 75.89 31.76 77.38 77.77 30.55 76.13 78.65 30.75 2 0 -3.66-999 ?-999 ?-999 ? CL CL B 152s mMET^B 21 77.60 75.47 29.83 78.03 75.94 29.06 78.75 73.48 30.66 79.85 74.04 30.55 77.52 74.03 29.94 77.38 73.36 28.56 2 0 5.16-999 ?-999 ?-999 ? CL CL B 152 mASP^B 22 78.55 72.40 31.39 77.60 72.09 31.39 79.90 70.46 31.31 79.17 69.47 31.43 79.62 71.72 32.12 79.11 71.36 33.52 2 0 7.00-999 ?-999 ?-999 ? CA CA B 153 mILE^B 23 80.94 70.50 30.46 81.45 71.36 30.50 82.33 68.45 30.15 83.46 68.86 30.39 81.28 69.38 29.57 81.84 69.86 28.19 3 0 9.27-999 ?-999 ?-999 ? CA CA B 153 mHIS^B 24 81.97 67.18 30.33 81.03 66.98 30.06 83.14 65.01 29.99 82.26 64.61 29.22 82.89 66.19 30.90 82.31 65.54 32.15 3 0 12.25-999 ?-999 ?-999 ? CA CA B 153 mILE^B 25 84.33 64.45 30.12 84.97 64.96 30.70 84.81 62.29 30.69 85.82 62.34 31.39 84.68 63.20 29.48 85.98 63.29 28.69 3 0 15.60-999 ?-999 ?-999 ? CA CA B 153 mSER.B 26 83.77 61.50 30.95 83.05 61.53 30.26 83.77 59.17 32.02 83.60 58.61 30.94 83.70 60.68 32.17 82.42 61.01 32.96 2 0 17.78-999 ?-999 ?-999 ? CA CA B 153 mSER.B 27 84.01 58.54 33.16 84.14 59.15 33.94 82.68 56.54 33.61 82.36 55.41 33.23 84.07 57.10 33.27 85.12 56.69 34.30 2 0 21.42-999 ?-999 ?-999 ? CA CA B 153 mTHR.B 28 81.87 57.35 34.29 82.28 58.23 34.51 79.58 57.03 33.44 79.71 57.92 32.61 80.51 56.97 34.67 79.95 57.90 35.78 2 0 21.61-999 ?-999 ?-999 ? CA CA B 153 mASP.B 29 78.67 56.06 33.35 78.73 55.38 34.08 76.66 57.16 32.49 76.09 57.33 33.57 77.68 56.02 32.29 76.96 54.66 32.27 2 0 22.71-999 ?-999 ?-999 ? CL CL B 152 mALA.B 30 76.43 57.90 31.41 76.94 57.61 30.60 74.10 58.69 31.83 73.30 59.57 32.16 75.51 59.04 31.41 75.50 59.67 30.06 2 0 19.50-999 ?-999 ?-999 ? CL CL B 152 mLYS.B 31 73.80 57.40 31.83 74.55 56.80 31.54 72.30 56.97 33.76 71.17 57.11 34.24 72.50 56.90 32.23 72.31 55.47 31.68 2 0 22.01-999 ?-999 ?-999 ? CL CL B 152 mVAL.B 32 73.40 56.90 34.50 74.25 56.83 33.99 74.05 58.11 36.63 73.83 58.40 37.81 73.32 56.93 35.97 73.79 55.58 36.62 3 0 23.02-999 ?-999 ?-999 ? CL CL B 152 mTYR.B 33 74.89 58.80 35.85 74.92 58.46 34.91 74.83 61.00 37.02 73.83 61.45 36.47 75.67 59.93 36.34 76.44 60.56 35.18 3 0 19.94-999 ?-999 ?-999 ? CA CA B 153 mILE.B 34 75.25 61.44 38.19 76.08 61.00 38.54 75.37 63.74 38.90 76.46 63.75 39.46 74.52 62.48 38.89 74.15 62.08 40.34 3 0 18.84-999 ?-999 ?-999 ? CA CA B 153 mPRO.B 35 74.89 64.81 38.24 74.01 64.69 37.79 75.79 66.70 39.55 74.85 66.68 40.33 75.65 66.06 38.19 74.79 66.96 37.30 3 0 15.16-999 ?-999 ?-999 ? CA CA B 153 mTHR.B 36 76.97 67.22 39.84 77.68 67.05 39.16 76.96 69.39 40.60 77.48 69.79 39.55 77.18 67.96 41.06 78.61 67.81 41.63 2 0 14.66-999 ?-999 ?-999 ? CA CA B 153 mGLY.B 37 76.16 70.14 41.33 75.78 69.70 42.14 74.64 71.67 40.09 73.91 70.70 39.86 75.90 71.52 40.92-999.99-999.99-999.99 1 0 12.83-999 ?-999 ?-999 ? CA CA B 153 mGLN.B 38 74.41 72.89 39.61 75.15 73.54 39.78 73.28 73.42 37.40 72.26 73.37 36.72 73.18 73.22 38.91 72.57 74.48 39.53 2 0 12.29-999 ?-999 ?-999 ? CA CA B 153 mGLN.B 39 74.49 73.64 36.87 75.23 73.63 37.53 74.26 72.71 34.52 74.18 71.57 34.97 74.65 73.87 35.42 76.07 74.36 35.08 2 0 9.18-999 ?-999 ?-999 ? CA CA B 153 mVAL^B 40 73.98 73.03 33.26 74.00 74.01 33.09 74.88 71.15 32.05 75.99 71.65 31.85 73.66 72.04 32.23 73.29 72.73 30.89 3 0 8.11-999 ?-999 ?-999 ? CL CL B 152 mTHR^B 41 74.68 69.84 32.13 73.72 69.58 32.24 75.75 68.03 30.81 74.70 67.54 30.41 75.77 68.88 32.08 75.73 67.97 33.33 2 0 10.39-999 ?-999 ?-999 ? CL CL B 152 mVAL^B 42 76.91 67.87 30.19 77.68 68.34 30.62 78.23 66.14 29.11 79.34 66.57 29.37 77.04 67.08 28.97 77.24 67.97 27.70 3 0 11.22-999 ?-999 ?-999 ? CL CL B 152 mLEU^B 43 78.00 64.84 28.98 77.04 64.59 28.82 79.41 63.39 27.65 78.50 62.97 26.93 79.10 63.88 29.05 78.80 62.69 29.97 3 0 14.71-999 ?-999 ?-999 ? CL CL B 152 mILE^B 44 80.68 63.49 27.27 81.27 63.89 27.98 81.73 61.67 26.17 82.48 61.42 27.13 81.19 63.07 25.97 82.33 64.00 25.47 3 0 16.02-999 ?-999 ?-999 ? CL CL B 152 mHIS^B 45 81.37 60.74 25.29 80.80 61.07 24.53 82.17 58.67 24.15 81.43 58.72 23.18 81.80 59.36 25.45 80.72 58.57 26.19 3 0 19.76-999 ?-999 ?-999 ? CL CL B 152 mTYR^B 46 83.34 58.05 24.13 83.88 58.16 24.96 83.20 55.88 23.11 83.60 55.11 23.99 83.79 57.28 22.98 85.32 57.20 22.91 3 0 22.72-999 ?-999 ?-999 ? CL CL B 152 mCYH^B 47 82.24 55.59 22.24 82.08 56.31 21.57 82.25 53.12 21.66 82.00 51.99 22.04 81.51 54.32 22.27 80.13 54.46 21.60 2 0 22.68-999 ?-999 ?-999 ? CA CA A 153 mGLY^B 48 83.16 53.37 20.73 83.31 54.33 20.51 83.92 52.48 18.61 83.51 53.53 18.12 83.85 52.26 20.10-999.99-999.99-999.99 1 0 21.55-999 ?-999 ?-999 ? CA CA A 153 mSER^B 49 84.43 51.48 17.90 84.69 50.69 18.45 84.33 50.20 15.83 84.45 49.17 16.48 84.61 51.54 16.46 86.05 51.90 16.09 2 0 18.74-999 ?-999 ?-999 ? CA CA A 153 mVAL^B 50 83.97 50.23 14.56 83.83 51.15 14.19 84.75 49.17 12.60 84.81 50.25 11.98 83.79 49.02 13.77 82.34 48.82 13.30 3 0 17.28-999 ?-999 ?-999 ? CA CA A 153 mPHE^B 51 85.52 48.12 12.34 85.39 47.34 12.95 86.01 47.26 10.08 85.78 46.06 10.27 86.48 48.13 11.24 87.85 47.64 11.71 3 0 17.08-999 ?-999 ?-999 ? CA CA A 153 mALA.B 52 85.88 47.85 8.89 86.05 48.83 8.88 86.72 46.17 7.33 87.85 46.46 7.73 85.52 47.04 7.72 85.11 47.94 6.55 2 0 15.26-999 ?-999 ?-999 ? CA CA A 153 mGLU.B 53 86.50 45.09 6.58 85.54 44.91 6.36 88.47 45.05 5.11 87.99 46.01 4.52 87.63 44.28 6.12 87.14 42.99 5.43 2 0 17.77-999 ?-999 ?-999 ? CA CA A 153 mPRO.B 54 89.75 44.67 4.96 90.10 44.01 5.62 89.82 44.80 2.57 89.16 43.76 2.54 90.51 45.22 3.86 91.85 44.52 3.99 3 0 18.28-999 ?-999 ?-999 ? CA CA A 153 mGLU.B 55 89.98 45.57 1.51 90.64 46.31 1.62 89.99 44.67 -0.86 90.28 45.33 -1.86 89.22 45.32 0.30 88.52 46.60 -0.13 2 0 16.95-999 ?-999 ?-999 ? CA CA A 153 mASN.B 56 90.27 43.37 -0.73 89.96 43.00 0.15 92.30 43.13 -2.18 92.64 43.09 -3.37 90.96 42.56 -1.75 90.07 42.37 -2.99 2 0 20.25-999 ?-999 ?-999 ? CA CA A 153 mTHR.B 57 93.06 43.69 -1.25 92.67 43.66 -0.32 95.48 43.66 -0.77 95.25 43.08 0.28 94.36 44.28 -1.59 94.38 45.83 -1.36 2 0 21.47-999 ?-999 ?-999 ? CA CA A 153 mASP.B 58 96.71 43.81 -1.28 96.73 44.28 -2.16 98.10 44.02 0.76 98.44 43.38 1.75 97.89 43.32 -0.59 99.13 43.47 -1.49 2 0 24.81-999 ?-999 ?-999 ? CA CA A 153 mALA.B 59 97.85 45.34 0.80 97.57 45.73 -0.08 96.82 45.94 3.00 95.66 45.82 2.58 97.99 46.11 2.03 98.19 47.59 1.72 2 0 23.42-999 ?-999 ?-999 ? CA CA A 153 mTHR.B 60 97.13 45.91 4.30 98.11 45.95 4.49 95.69 47.28 5.67 96.35 48.00 6.44 96.11 45.85 5.34 96.58 45.08 6.59 2 0 22.49-999 ?-999 ?-999 ? CA CA A 153 mVAL^B 61 94.61 47.69 5.03 94.23 47.00 4.42 92.58 48.75 5.53 91.92 47.99 4.83 94.04 49.01 5.19 94.17 49.81 3.87 3 0 19.16-999 ?-999 ?-999 ? CA CA A 153 mGLN^B 62 92.07 49.37 6.59 92.70 50.00 7.06 89.93 50.40 7.31 90.39 51.26 8.08 90.71 49.13 7.01 90.69 48.22 8.26 2 0 17.01-999 ?-999 ?-999 ? CA CA A 153 mLYS^B 63 88.74 50.51 6.73 88.48 49.77 6.11 87.37 51.51 8.44 86.95 50.42 8.82 87.92 51.68 7.01 86.82 51.89 5.97 2 0 13.68-999 ?-999 ?-999 ? CA CA A 153 mGLN^B 64 87.42 52.58 9.21 87.78 53.39 8.75 85.88 53.60 10.81 86.01 54.77 10.43 86.99 52.59 10.60 88.19 52.93 11.49 2 0 14.86-999 ?-999 ?-999 ? CA CA A 153 mLEU^B 65 84.77 53.13 11.38 84.81 52.15 11.57 83.65 54.16 13.22 83.59 53.20 13.99 83.60 53.95 11.71 82.30 53.26 11.29 3 0 13.49-999 ?-999 ?-999 ? CA CA A 153 mILE^B 66 83.75 55.41 13.63 83.70 56.08 12.88 82.61 56.31 15.65 82.03 57.27 15.14 83.91 55.80 15.03 84.99 56.90 15.10 3 0 16.19-999 ?-999 ?-999 ? CA CA A 153 mARG^B 67 82.17 55.69 16.75 82.72 54.91 17.05 81.21 57.01 18.68 81.91 56.60 19.60 80.94 56.17 17.42 79.95 55.03 17.72 2 0 17.61-999 ?-999 ?-999 ? CA CA A 153 mILE^B 68 80.63 58.20 18.71 80.09 58.40 17.90 79.39 59.57 20.34 78.50 59.89 19.54 80.78 59.10 19.85 81.64 60.35 19.45 3 0 19.94-999 ?-999 ?-999 ? CA CA A 153 mSER^B 69 79.21 59.60 21.66 79.98 59.26 22.20 78.18 61.34 23.07 79.21 61.48 23.72 77.96 60.10 22.21 77.24 59.03 23.02 2 0 18.82-999 ?-999 ?-999 ? CL CL B 152 mALA^B 70 77.22 62.25 23.01 76.51 62.04 22.33 75.83 63.35 24.53 74.81 63.33 23.86 77.20 63.44 23.86 77.32 64.71 23.03 2 0 15.11-999 ?-999 ?-999 ? CL CL B 152 mTHR^B 71 75.81 63.26 25.85 76.70 63.31 26.29 74.26 64.28 27.48 75.09 64.62 28.32 74.54 63.10 26.56 74.54 61.79 27.42 2 0 15.07-999 ?-999 ?-999 ? CL CL B 152 mVAL^B 72 73.10 64.89 27.31 72.56 64.53 26.55 72.02 65.42 29.41 71.24 64.47 29.33 72.67 65.99 28.16 71.60 66.85 27.47 3 0 12.53-999 ?-999 ?-999 ? CL CL B 152 mILE^B 73 72.33 65.99 30.57 73.00 66.73 30.49 71.25 66.81 32.58 72.07 67.62 33.01 71.74 65.56 31.83 72.76 64.77 32.69 3 0 13.94-999 ?-999 ?-999 ? CL CL B 152 mVAL^B 74 69.93 67.00 32.70 69.39 66.29 32.24 68.01 67.79 34.09 67.36 66.85 33.64 69.36 68.15 33.43 69.16 69.42 32.52 3 0 13.35-999 ?-999 ?-999 ? CL CL B 152 mPRO.B 75 67.61 68.49 35.16 68.26 69.19 35.47 65.04 68.37 34.90 64.25 67.43 34.81 66.30 68.23 35.80 66.25 69.24 36.97 3 0 16.13-999 ?-999 ?-999 ? CL CL B 152 mGLN~B 76 64.83 69.54 34.28 65.54 70.22 34.43 63.81 69.20 32.03 64.86 69.37 31.42 63.64 69.75 33.44 63.27 71.24 33.35 2 0 15.97-999 ?-999 ?-999 ? CL CL B 152 mILE~B 77 62.77 68.56 31.51 61.96 68.51 32.10 62.86 69.07 29.06 63.47 68.87 28.00 62.85 67.99 30.17 61.81 66.86 29.93 3 0 16.67-999 ?-999 ?-999 ? CL CL B 152 mSER~B 78 62.24 70.21 29.33 61.81 70.27 30.22 63.67 71.82 28.13 64.04 72.17 27.01 62.25 71.29 28.34 61.27 72.40 28.72 2 0 15.19-999 ?-999 ?-999 ? CL CL B 152 mASP~B 79 64.45 71.86 29.21 64.01 71.55 30.05 66.73 71.28 28.50 67.70 71.62 27.81 65.84 72.33 29.15 66.34 72.70 30.54 2 0 11.65-999 ?-999 ?-999 ? CL CL B 152 mALA~B 80 66.38 70.01 28.73 65.60 69.91 29.35 66.97 68.93 26.62 67.96 68.77 25.90 67.09 68.87 28.14 66.55 67.52 28.68 2 0 12.70-999 ?-999 ?-999 ? CL CL B 152 mILE~B 81 65.75 69.17 26.14 65.05 69.29 26.84 66.15 70.46 24.09 66.79 70.35 23.05 65.48 69.24 24.71 63.96 69.16 24.42 3 0 13.83-999 ?-999 ?-999 ? CL CL B 152 mASN~B 82 66.04 71.60 24.75 65.46 71.56 25.57 68.22 72.54 24.20 68.85 72.89 23.21 66.72 72.79 24.29 66.40 74.00 25.18 2 0 10.92-999 ?-999 ?-999 ? CL CL B 152 mALA~B 83 68.78 71.91 25.24 68.14 71.68 25.97 70.64 70.64 24.14 71.73 70.76 23.58 70.21 71.59 25.27 70.60 71.02 26.61 2 0 8.80-999 ?-999 ?-999 ? CL CL B 152 mLEU~B 84 69.76 69.70 23.80 68.91 69.72 24.33 70.08 69.45 21.39 70.92 69.11 20.54 70.03 68.74 22.75 68.96 67.63 22.79 3 0 11.88-999 ?-999 ?-999 ? CL CL B 152 mASP~B 85 69.20 70.43 21.19 68.55 70.56 21.94 70.55 72.01 19.85 71.11 72.12 18.76 69.21 71.25 19.97 68.02 72.23 19.92 2 0 11.97-999 ?-999 ?-999 ? CL CL B 152 mARG~B 86 71.05 72.51 20.98 70.47 72.38 21.79 73.52 72.27 20.67 74.43 72.69 19.96 72.33 73.18 21.01 72.56 73.90 22.35 2 0 8.67-999 ?-999 ?-999 ? CL CL B 152 mLEU~B 87 73.51 71.03 21.16 72.73 70.82 21.74 74.61 69.80 19.35 75.65 69.71 18.72 74.59 70.08 20.84 74.37 68.73 21.51 3 0 10.35-999 ?-999 ?-999 ? CL CL B 152 mARG~B 88 73.41 69.67 18.81 72.66 69.86 19.44 73.72 70.35 16.43 74.43 70.00 15.49 73.20 69.30 17.43 71.71 68.99 17.25 2 0 13.45-999 ?-999 ?-999 ? CL CL B 152 mARG~B 89 73.40 71.63 16.66 72.82 71.80 17.45 75.39 72.99 16.02 76.07 73.48 15.13 73.91 72.66 15.76 73.00 73.90 15.66 2 0 12.87-999 ?-999 ?-999 ? CL CL B 152 mSER~B 90 75.88 72.67 17.22 75.21 72.29 17.86 78.16 71.82 16.91 79.26 72.11 16.43 77.28 72.88 17.56 77.51 72.83 19.08 2 0 11.13-999 ?-999 ?-999 ? CL CL B 152 mLEU~B 91 77.68 70.58 16.90 76.73 70.49 17.20 78.33 68.95 15.03 79.27 68.41 14.46 78.51 69.47 16.46 78.43 68.32 17.48 3 0 14.10-999 ?-999 ?-999 ? CL CL B 152 mGLY~B 92 77.14 69.11 14.45 76.47 69.60 15.01 77.80 69.15 12.02 77.96 70.38 11.88 76.89 68.61 13.11-999.99-999.99-999.99 1 0 16.87-999 ?-999 ?-999 ? CA CA A 153 mGLY.B 93 78.41 68.24 11.27 78.23 67.29 11.55 80.60 69.25 10.41 81.17 69.89 9.51 79.26 68.60 10.14-999.99-999.99-999.99 1 0 14.75-999 ?-999 ?-999 ? CA CA A 153 mILE.B 94 81.13 69.09 11.62 80.60 68.53 12.25 83.58 68.87 11.45 83.46 67.65 11.32 82.41 69.72 11.93 82.57 70.08 13.44 3 0 17.35-999 ?-999 ?-999 ? CA CA A 153 mGLU.B 95 84.69 69.55 11.16 84.60 70.54 11.25 86.54 68.21 11.97 86.47 68.74 13.09 85.93 68.90 10.74 86.92 69.91 10.13 2 0 17.33-999 ?-999 ?-999 ? CA CA A 153 mLEU.B 96 87.10 67.03 11.75 87.02 66.71 10.81 89.17 65.90 12.36 89.36 65.47 11.23 87.75 66.27 12.81 86.95 65.01 13.17 3 0 18.17-999 ?-999 ?-999 ? CA CA A 153 mPRO.B 97 90.15 66.03 13.27 89.86 66.30 14.19 91.78 64.34 12.40 91.38 63.38 13.07 91.54 65.78 12.88 92.34 66.10 14.15 3 0 20.34-999 ?-999 ?-999 ? CA CA A 153 mASP.B 98 92.42 64.22 11.23 92.63 65.11 10.82 91.57 62.03 10.27 91.70 60.80 10.22 92.77 62.94 10.59 93.82 62.21 11.41 2 0 18.94-999 ?-999 ?-999 ? CA CA A 153 mCYH.B 99 90.40 62.63 10.08 90.43 63.62 10.22 88.88 62.17 8.21 89.22 63.22 7.68 89.18 61.92 9.69 88.01 62.31 10.59 2 0 15.40-999 ?-999 ?-999 ? CA CA A 153 mASP.B 100 88.24 61.18 7.57 88.04 60.42 8.18 86.78 62.15 5.71 86.71 62.52 4.54 87.85 61.17 6.14 87.23 59.81 5.78 2 0 12.17-999 ?-999 ?-999 ? CA CA A 153 mARG.B 101 85.87 62.46 6.63 86.06 62.09 7.54 84.29 64.07 7.54 84.83 63.86 8.62 84.71 63.28 6.31 83.56 62.35 5.88 2 0 10.73-999 ?-999 ?-999 ? CA CA A 153 mPRO.B 102 83.32 65.00 7.39 82.98 65.14 6.46 82.16 64.80 9.57 81.83 63.65 9.24 82.87 65.72 8.58 81.87 66.74 8.02 3 0 12.60-999 ?-999 ?-999 ? CA CA A 153 mLEU.B 103 81.96 65.30 10.79 82.37 66.20 10.93 79.75 64.49 11.33 79.17 65.48 10.85 81.21 64.57 11.80 81.32 65.28 13.17 3 0 13.87-999 ?-999 ?-999 ? CA CA A 153 mTRP^B 104 79.19 63.30 11.44 79.79 62.59 11.82 76.96 62.70 12.24 77.41 62.08 13.19 77.83 63.05 11.04 77.76 61.90 10.02 3 0 12.05-999 ?-999 ?-999 ? CA CA A 153 mLEU^B 105 75.71 63.11 12.18 75.48 63.65 11.37 74.17 61.44 12.88 73.93 61.15 11.72 74.76 62.81 13.22 73.66 63.86 13.23 3 0 14.28-999 ?-999 ?-999 ? CA CA A 153 mGLU^B 106 73.93 60.62 13.90 74.17 60.99 14.80 71.99 59.14 14.34 71.04 58.69 13.70 73.37 59.29 13.69 74.32 58.19 14.17 2 0 14.30-999 ?-999 ?-999 ? CA CA A 153 mSER^B 107 71.88 59.52 15.62 72.73 59.84 16.03 70.56 60.26 17.61 71.58 60.63 18.17 70.61 59.44 16.32 70.20 57.98 16.61 2 0 17.74-999 ?-999 ?-999 ? CA CA A 153 mGLU^B 108 69.35 60.54 18.06 68.62 60.26 17.43 68.15 60.24 20.02 67.26 59.66 19.39 69.08 61.19 19.31 68.36 62.53 19.13 2 0 19.85-999 ?-999 ?-999 ? CL CL B 152 mLYS^B 109 68.35 60.09 21.32 69.11 60.60 21.71 67.34 59.59 23.54 68.25 60.13 24.16 67.49 59.21 22.09 67.91 57.74 21.95 2 0 21.27-999 ?-999 ?-999 ? CL CL B 152 mTYR^B 110 66.15 59.33 24.05 65.48 58.98 23.39 66.47 58.33 26.16 66.25 57.19 25.77 65.84 59.52 25.45 64.34 59.54 25.67 3 0 21.14-999 ?-999 ?-999 ? CL CL B 152 mILE^B 111 67.27 58.63 27.17 67.33 59.60 27.39 67.32 57.27 29.22 67.35 56.13 29.67 68.00 57.60 27.90 69.48 58.03 28.10 3 0 21.93-999 ?-999 ?-999 ? CL CL B 152 mGLY^B 112 66.71 58.26 29.85 66.75 59.16 29.40 65.92 59.20 32.01 66.28 60.32 31.66 66.05 58.00 31.11-999.99-999.99-999.99 1 0 22.65-999 ?-999 ?-999 ? CL CL B 152 mASP~B 113 65.42 58.92 33.21 65.25 57.95 33.36 65.73 59.55 35.59 65.19 59.96 36.62 65.13 59.93 34.21 63.61 60.05 34.30 2 0 22.17-999 ?-999 ?-999 ? CL CL B 152 mALA~B 114 66.82 58.78 35.61 67.19 58.55 34.71 67.81 59.51 37.78 68.33 60.53 37.29 67.41 58.35 36.88 68.59 57.40 36.68 2 0 23.51-999 ?-999 ?-999 ? CL CL B 152 mALA~B 115 67.50 59.36 39.06 67.08 58.48 39.26 67.04 61.70 39.75 67.43 62.76 40.25 67.74 60.38 40.09 69.24 60.58 40.32 2 0 23.30-999 ?-999 ?-999 ? CL CL B 152 mASN~B 116 66.01 61.62 38.91 65.82 60.69 38.62 66.00 63.81 37.59 65.76 65.01 37.65 65.24 62.79 38.45 64.45 63.45 39.58 2 0 21.69-999 ?-999 ?-999 ? CL CL B 152 mPHE~B 117 66.93 63.29 36.79 67.10 62.32 36.92 67.24 63.48 34.46 67.44 62.29 34.23 67.63 64.09 35.82 69.15 64.01 36.03 3 0 18.32-999 ?-999 ?-999 ? CL CL B 152 mCYH^B 118 66.64 64.29 33.60 66.44 65.21 33.95 67.57 63.77 31.45 68.43 64.66 31.53 66.29 63.86 32.24 65.35 64.84 31.56 2 0 17.82-999 ?-999 ?-999 ? CL CL B 152 mARG^B 119 67.68 62.68 30.69 66.86 62.10 30.68 68.55 62.10 28.49 67.70 61.26 28.17 68.87 62.37 29.95 69.54 61.15 30.58 2 0 17.38-999 ?-999 ?-999 ? CL CL B 152 mTYR^B 120 69.21 62.85 27.61 69.81 63.53 28.04 70.47 62.57 25.54 71.33 63.40 25.79 69.09 62.69 26.16 68.36 63.87 25.53 3 0 16.83-999 ?-999 ?-999 ? CL CL B 152 mALA^B 121 70.68 61.54 24.73 69.90 60.93 24.61 71.91 61.68 22.60 70.96 61.33 21.91 71.96 61.35 24.08 72.44 59.92 24.26 2 0 17.47-999 ?-999 ?-999 ? CL CL B 152 mLEU^B 122 72.93 62.37 22.12 73.55 62.72 22.83 74.25 61.62 20.28 75.34 61.69 20.83 73.12 62.58 20.69 73.50 64.03 20.39 3 0 17.07-999 ?-999 ?-999 ? CL CL B 152 mASP^B 123 73.96 60.67 19.40 73.01 60.69 19.10 75.47 60.15 17.56 74.68 60.48 16.67 74.96 59.71 18.93 74.36 58.31 18.85 2 0 19.06-999 ?-999 ?-999 ? CA CA A 153 mMET^B 124 76.79 60.13 17.40 77.29 59.74 18.17 78.52 59.72 15.66 79.10 58.92 16.38 77.43 60.64 16.20 78.08 61.98 16.53 2 0 16.27-999 ?-999 ?-999 ? CA CA A 153 mTHR^B 125 78.80 59.84 14.37 78.24 60.49 13.85 80.93 59.87 13.11 80.65 60.88 12.45 79.87 59.04 13.81 79.40 57.95 12.80 2 0 13.85-999 ?-999 ?-999 ? CA CA A 153 mALA^B 126 82.16 59.37 13.26 82.20 58.61 13.90 83.85 58.74 11.69 83.52 57.55 11.89 83.32 59.88 12.56 84.39 60.32 13.56 2 0 13.72-999 ?-999 ?-999 ? CA CA A 153 mSER^B 127 84.68 59.08 10.72 84.88 60.06 10.63 86.69 58.33 9.65 87.09 59.48 9.48 85.23 58.07 9.87 84.51 58.04 8.53 2 0 12.22-999 ?-999 ?-999 ? CA CA A 153 mTHR^B 128 87.47 57.26 9.65 87.01 56.40 9.88 89.37 56.06 8.65 88.65 55.07 8.54 88.89 57.35 9.35 89.75 57.71 10.60 2 0 14.41-999 ?-999 ?-999 ? CA CA A 153 mLEU^B 129 90.59 56.10 8.16 91.09 56.96 8.30 92.27 54.45 8.31 93.22 55.19 8.59 91.14 54.98 7.46 91.67 55.43 6.09 3 0 15.47-999 ?-999 ?-999 ? CA CA A 153 mPHE^B 130 92.17 53.20 8.75 91.31 52.73 8.53 94.28 52.02 8.55 93.93 51.26 7.65 93.25 52.61 9.51 92.78 51.55 10.51 3 0 18.80-999 ?-999 ?-999 ? CA CA A 153 mILE^B 131 95.55 52.36 8.76 95.68 52.98 9.54 97.66 51.14 8.76 98.33 51.73 9.61 96.64 51.88 7.91 97.32 53.03 7.13 3 0 20.88-999 ?-999 ?-999 ? CL CL C 152 mALA.B 132 97.78 49.84 8.51 97.18 49.49 7.79 100.17 49.33 8.93 100.49 49.76 7.82 98.71 49.01 9.26 98.43 47.52 9.01 2 0 18.92-999 ?-999 ?-999 ? CL CL C 152 mGLU.B 133 101.02 49.11 9.93 100.57 48.82 10.77 103.05 48.16 8.99 102.58 47.02 9.07 102.46 49.28 9.83 103.10 49.20 11.23 2 0 17.36-999 ?-999 ?-999 ? CL CL C 152 mGLN.B 134 104.07 48.49 8.19 104.29 49.46 8.22 106.25 47.48 7.76 107.11 47.04 6.98 104.78 47.51 7.36 104.65 47.82 5.86 2 0 19.81-999 ?-999 ?-999 ? CL CL C 152 mASN.C -1 101.27 22.68 8.54 101.41 22.71 7.55 99.73 23.20 10.48 99.31 24.27 10.04 101.07 22.63 10.02 102.21 23.32 10.77 2 0 20.03-999 ?-999 ?-999 ? CL CL D 152 mALA.C 0 99.08 22.47 11.39 99.55 21.62 11.64 98.05 24.09 12.84 99.09 24.20 13.49 97.81 22.89 11.95 97.20 21.75 12.74 2 0 18.00-999 ?-999 ?-999 ? CL CL D 152 mMET.C 1 97.08 25.00 12.85 96.31 24.79 12.25 97.04 25.78 15.15 96.21 24.94 15.52 97.15 26.19 13.68 96.05 27.17 13.25 2 0 18.77-999 ?-999 ?-999 ? CL CL D 152 mGLU~C 2 97.95 26.31 15.96 98.63 26.88 15.49 97.41 27.40 17.97 98.08 28.44 17.92 97.95 26.09 17.40 99.36 25.82 17.92 2 0 16.41-999 ?-999 ?-999 ? CL CL D 152 mTHR~C 3 96.18 27.34 18.50 95.78 26.43 18.51 96.33 29.34 20.03 96.41 30.56 19.97 95.52 28.55 19.02 94.16 28.21 19.61 2 0 17.62-999 ?-999 ?-999 ? CL CL D 152 mLEU~C 4 96.96 28.63 20.96 96.84 27.64 20.89 98.95 30.00 21.38 99.37 31.06 21.85 97.74 29.29 21.99 98.18 28.26 23.02 3 0 17.32-999 ?-999 ?-999 ? CL CL D 152 mSER~C 5 99.49 29.43 20.31 99.04 28.57 20.04 100.24 31.36 19.01 101.04 32.31 19.02 100.63 30.01 19.63 101.14 29.03 18.56 2 0 19.24-999 ?-999 ?-999 ? CL CL D 152 mVAL~C 6 99.01 31.44 18.49 98.50 30.59 18.53 98.34 33.73 19.01 98.80 34.86 18.85 98.48 32.67 17.91 97.12 32.44 17.15 3 0 20.86-999 ?-999 ?-999 ? CA CA C 153 mILE~C 7 97.72 33.35 20.12 97.36 32.42 20.08 98.98 34.65 21.77 99.21 35.80 22.09 97.58 34.22 21.29 96.76 33.51 22.41 3 0 18.50-999 ?-999 ?-999 ? CA CA C 153 mHIS~C 8 99.93 33.72 21.81 99.63 32.80 21.54 101.95 35.10 21.27 102.67 35.98 21.75 101.29 34.07 22.21 102.19 32.84 22.34 3 0 -16.11-999 ?-999 ?-999 ? CA CA C 153s mTHR~C 9 101.69 34.99 19.97 101.09 34.23 19.73 101.75 37.34 19.22 102.53 38.28 19.11 102.24 35.92 18.97 101.93 35.48 17.52 2 0 16.50-999 ?-999 ?-999 ? CA CA C 153 mVAL~C 10 100.46 37.47 19.56 99.96 36.61 19.56 100.51 39.35 21.16 100.94 40.49 21.14 99.83 38.75 19.91 98.30 38.57 20.18 3 0 15.13-999 ?-999 ?-999 ? CL CL C 152 mALA~C 11 100.62 38.55 22.21 100.24 37.64 22.07 102.68 39.41 23.30 103.05 40.49 23.73 101.23 38.97 23.47 101.14 37.84 24.49 2 0 12.36-999 ?-999 ?-999 ? CA CA C 153 mASN~C 12 103.50 38.56 22.69 103.09 37.70 22.42 105.05 40.17 21.65 105.81 41.05 22.02 104.90 38.89 22.44 105.58 37.78 21.67 2 0 11.27-999 ?-999 ?-999 ? CA CA C 153 mARG~C 13 104.33 40.27 20.54 103.76 39.47 20.33 104.08 42.70 20.53 104.81 43.68 20.47 104.37 41.46 19.70 103.34 41.34 18.57 2 0 11.97-999 ?-999 ?-999 ? CL CL C 152 mLEU~C 14 103.04 42.62 21.34 102.57 41.73 21.30 103.66 44.08 23.24 103.89 45.27 23.46 102.60 43.69 22.19 101.29 43.27 22.82 3 0 9.10-999 ?-999 ?-999 ? CL CL C 152 mARG~C 15 104.34 43.08 23.84 104.06 42.17 23.55 106.64 44.00 24.24 107.27 44.87 24.86 105.40 43.35 24.83 105.85 42.07 25.55 2 0 7.12-999 ?-999 ?-999 ? CA CA C 153 mGLU~C 16 107.02 43.56 23.04 106.46 42.83 22.66 107.97 45.59 22.00 108.90 46.38 22.09 108.18 44.14 22.39 108.61 43.31 21.19 2 0 -8.43-999 ?-999 ?-999 ? CA CA C 153s mLEU~C 17 106.75 45.95 21.59 106.07 45.22 21.57 106.04 48.24 22.37 106.03 49.45 22.27 106.49 47.35 21.20 105.46 47.44 20.07 3 0 6.82-999 ?-999 ?-999 ? CL CL C 152 mASN~C 18 105.67 47.61 23.48 105.75 46.61 23.44 105.82 47.73 25.87 105.15 47.03 26.62 105.18 48.33 24.64 103.67 48.19 24.71 2 0 -3.47-999 ?-999 ?-999 ? CL CL C 152s mPRO.C 19 107.11 48.04 26.10 107.51 48.70 25.46 107.35 47.82 28.59 107.57 47.09 29.52 107.85 47.44 27.20 109.28 47.98 26.99 3 0 4.12-999 ?-999 ?-999 ? CA CA C 153s mASP.C 20 106.63 48.93 28.71 106.46 49.42 27.86 104.71 49.00 30.34 104.15 49.46 31.34 106.16 49.36 30.02 106.43 50.87 30.21 2 0 -3.64-999 ?-999 ?-999 ? CL CL C 152s mMET^C 21 104.10 48.17 29.47 104.66 47.94 28.67 102.90 46.28 30.32 103.85 45.56 30.03 102.76 47.65 29.68 102.01 47.43 28.37 2 0 5.10-999 ?-999 ?-999 ? CL CL C 152 mASP^C 22 101.93 45.92 31.17 101.25 46.63 31.35 100.88 43.77 30.98 99.67 44.02 31.06 101.90 44.60 31.77 101.53 44.70 33.25 2 0 7.09-999 ?-999 ?-999 ? CA CA C 153 mILE^C 23 101.38 42.82 30.20 102.37 42.72 30.28 100.26 40.61 29.88 101.18 39.89 30.24 100.55 42.00 29.30 101.24 41.83 27.91 3 0 9.11-999 ?-999 ?-999 ? CA CA C 153 mHIS^C 24 98.99 40.22 29.93 98.34 40.90 29.59 97.66 38.12 29.61 96.86 38.69 28.87 98.62 38.91 30.48 97.91 39.02 31.84 3 0 12.16-999 ?-999 ?-999 ? CA CA C 153 mILE.C 25 97.75 36.81 29.76 98.55 36.52 30.29 96.34 35.27 30.53 97.01 34.41 31.10 96.81 35.87 29.21 97.47 34.80 28.37 3 0 15.48-999 ?-999 ?-999 ? CA CA C 153 mSER.C 26 95.21 35.78 31.02 94.78 36.43 30.40 93.41 34.56 32.30 92.71 34.52 31.28 94.67 35.43 32.34 94.34 36.74 33.07 2 0 17.47-999 ?-999 ?-999 ? CA CA C 153 mSER.C 27 93.10 33.90 33.41 93.76 34.01 34.16 90.70 33.99 33.87 89.54 33.61 33.64 91.90 33.10 33.52 92.06 32.02 34.60 2 0 21.19-999 ?-999 ?-999 ? CA CA C 153 mTHR.C 28 91.00 35.17 34.42 91.98 35.33 34.49 89.51 37.00 33.73 90.29 37.31 32.84 90.00 36.13 34.88 90.59 37.03 36.00 2 0 21.46-999 ?-999 ?-999 ? CA CA C 153 mASP.C 29 88.22 37.36 33.74 87.71 36.97 34.50 88.23 39.65 32.89 88.42 40.14 34.01 87.64 38.24 32.73 86.11 38.31 32.88 2 0 22.51-999 ?-999 ?-999 ? CA CA C 153 mALA.C 30 88.50 40.29 31.76 88.28 39.77 30.94 88.11 42.69 32.28 88.53 43.81 32.57 89.07 41.62 31.75 89.53 41.96 30.36 2 0 19.43-999 ?-999 ?-999 ? CL CL C 152 mLYS.C 31 86.82 42.34 32.38 86.64 41.40 32.08 85.88 43.37 34.39 85.50 44.40 34.97 85.79 43.24 32.88 84.40 42.72 32.47 2 0 21.91-999 ?-999 ?-999 ? CL CL C 152 mVAL.C 32 86.38 42.32 35.04 86.66 41.57 34.45 87.94 42.30 37.03 88.18 42.67 38.18 86.50 42.30 36.51 85.68 41.14 37.17 3 0 22.91-999 ?-999 ?-999 ? CL CL C 152 mTYR.C 33 88.89 41.91 36.19 88.56 41.66 35.28 90.80 43.16 37.24 90.58 44.25 36.71 90.29 41.86 36.60 91.17 41.51 35.40 3 0 19.81-999 ?-999 ?-999 ? CA CA C 153 mILE.C 34 91.49 43.03 38.37 91.58 42.09 38.69 93.59 44.11 39.05 94.17 43.24 39.70 92.06 44.19 39.07 91.54 44.30 40.53 3 0 18.81-999 ?-999 ?-999 ? CA CA C 153 mPRO.C 35 94.25 45.01 38.29 93.63 45.65 37.83 96.47 45.26 39.44 96.08 46.08 40.27 95.72 45.09 38.13 95.92 46.33 37.26 3 0 15.10-999 ?-999 ?-999 ? CA CA C 153 mTHR.C 36 97.53 44.48 39.62 97.75 43.89 38.84 99.25 45.69 40.94 99.61 46.14 42.02 98.29 44.50 40.87 99.11 43.20 41.07 2 0 14.70-999 ?-999 ?-999 ? CA CA C 153 mGLY.C 37 99.64 46.22 39.78 99.27 45.78 38.96 99.98 48.63 39.20 98.76 48.83 39.16 100.56 47.35 39.76-999.99-999.99-999.99 1 0 12.43-999 ?-999 ?-999 ? CA CA C 153 mGLN.C 38 100.87 49.51 38.75 101.82 49.22 38.82 100.71 50.92 36.70 100.29 51.89 36.08 100.44 50.80 38.21 101.05 51.94 39.02 2 0 12.38-999 ?-999 ?-999 ? CL CL C 152 mGLN.C 39 101.38 49.93 36.13 101.70 49.22 36.76 100.30 49.71 33.95 99.34 49.18 34.52 101.63 49.90 34.69 102.58 48.76 34.29 2 0 8.75-999 ?-999 ?-999 ? CL CL C 152 mVAL^C 40 100.26 50.16 32.70 101.09 50.63 32.41 98.99 48.47 31.65 99.97 47.81 31.32 99.09 49.97 31.85 99.26 50.70 30.50 3 0 8.09-999 ?-999 ?-999 ? CL CL C 152 mTHR^C 41 97.80 47.93 31.90 97.09 48.59 32.11 96.67 46.10 30.67 95.68 46.77 30.37 97.56 46.50 31.85 96.98 46.04 33.21 2 0 10.31-999 ?-999 ?-999 ? CL CL C 152 mVAL^C 42 97.06 45.02 30.01 97.88 44.59 30.38 96.12 43.00 29.05 97.07 42.26 29.36 96.35 44.50 28.86 97.14 44.74 27.53 3 0 11.30-999 ?-999 ?-999 ? CL CL C 152 mLEU^C 43 94.87 42.57 28.91 94.19 43.28 28.75 94.21 40.67 27.59 93.41 41.29 26.90 94.55 41.16 28.99 93.42 40.85 29.97 3 0 14.78-999 ?-999 ?-999 ? CL CL C 152 mILE^C 44 94.84 39.57 27.19 95.44 39.18 27.88 93.84 37.72 26.04 94.10 36.92 26.93 94.66 38.97 25.86 96.01 38.69 25.21 3 0 16.14-999 ?-999 ?-999 ? CL CL C 152 mHIS^C 45 92.81 37.56 25.21 92.76 38.23 24.47 91.37 35.86 24.11 91.13 36.55 23.12 91.87 36.48 25.41 90.73 37.03 26.27 3 0 19.88-999 ?-999 ?-999 ? CL CL C 152 mTYR^C 46 91.27 34.54 24.11 91.60 34.11 24.95 89.22 33.76 23.14 88.72 33.16 24.10 90.74 33.82 22.97 91.35 32.42 22.88 3 0 22.10-999 ?-999 ?-999 ? CL CL D 152 mCYH^C 47 88.50 34.39 22.23 89.03 34.79 21.48 86.32 33.23 21.82 85.30 32.81 22.36 87.04 34.47 22.33 86.53 35.72 21.61 2 0 23.97-999 ?-999 ?-999 ? CL CL D 152 mGLY^C 48 86.89 32.63 20.79 87.73 33.05 20.46 86.51 31.48 18.70 87.13 32.39 18.16 86.31 31.45 20.20-999.99-999.99-999.99 1 0 22.12-999 ?-999 ?-999 ? CL CL D 152 mSER^C 49 85.96 30.47 18.03 85.49 29.80 18.61 84.71 29.98 15.99 83.85 29.43 16.67 86.05 30.35 16.58 87.07 29.28 16.17 2 0 22.68-999 ?-999 ?-999 ? CL CL D 152 mVAL^C 50 84.56 30.30 14.70 85.32 30.84 14.34 84.03 29.13 12.73 84.99 29.58 12.09 83.42 29.91 13.90 82.60 31.14 13.41 3 0 24.91-999 ?-999 ?-999 ? CL CL D 152 mPHE^C 51 83.49 27.95 12.47 82.75 27.69 13.08 82.97 27.11 10.26 81.78 26.86 10.50 83.97 27.11 11.36 84.18 25.67 11.81 3 0 24.28-999 ?-999 ?-999 ? CL CL D 152 mALA.C 52 83.45 27.37 9.05 84.42 27.60 9.03 82.46 25.87 7.54 83.31 25.06 7.88 82.60 27.34 7.87 83.25 28.10 6.71 2 0 27.39-999 ?-999 ?-999 ? CL CL D 152 mGLU.C 53 81.36 25.51 6.89 80.71 26.24 6.70 82.10 23.80 5.34 82.46 24.69 4.56 81.18 24.13 6.52 79.71 23.82 6.24 2 0 27.06-999 ?-999 ?-999 ? CA CA D 153 mPRO.C 54 82.53 22.53 5.25 82.23 21.92 5.98 82.82 22.54 2.81 81.61 22.49 2.60 83.38 22.08 4.15 83.30 20.56 4.26 3 0 26.05-999 ?-999 ?-999 ? CA CA D 153 mGLU.C 55 83.71 22.96 1.91 84.66 22.88 2.22 82.79 22.42 -0.35 82.79 22.61 -1.57 83.33 23.50 0.61 84.53 24.23 -0.01 2 0 29.28-999 ?-999 ?-999 ? CA CA D 153 mASN.C 56 82.31 21.32 0.23 82.39 21.34 1.23 82.73 19.55 -1.45 82.54 19.52 -2.67 81.73 20.18 -0.49 80.42 20.55 -1.20 2 0 27.99-999 ?-999 ?-999 ? CA CA D 153 mTHR.C 57 83.82 19.08 -0.86 83.85 19.24 0.13 85.08 17.09 -0.85 84.66 16.96 0.30 84.87 18.40 -1.59 86.19 19.21 -1.60 2 0 26.99-999 ?-999 ?-999 ? CA CA D 153 mASP.C 58 85.73 16.13 -1.50 86.00 16.38 -2.44 86.91 14.94 0.38 87.13 13.95 1.08 86.03 14.84 -0.88 86.65 13.88 -1.91 2 0 24.15-999 ?-999 ?-999 ? CA CA D 153 mALA.C 59 87.40 16.15 0.66 87.16 16.85 -0.01 87.40 17.22 2.85 86.68 18.16 2.49 88.21 16.42 1.84 89.46 17.19 1.46 2 0 22.80-999 ?-999 ?-999 ? CA CA D 153 mTHR.C 60 87.51 16.83 4.12 88.05 16.00 4.27 87.89 18.64 5.58 88.85 18.39 6.32 86.87 17.58 5.18 86.46 16.69 6.39 2 0 21.36-999 ?-999 ?-999 ? CA CA D 153 mVAL^C 61 87.69 19.82 5.01 86.91 19.84 4.38 87.55 22.10 5.59 86.57 22.29 4.87 88.52 20.98 5.26 89.40 21.32 4.03 3 0 23.92-999 ?-999 ?-999 ? CA CA D 153 mGLN^C 62 87.79 22.83 6.67 88.63 22.58 7.17 87.58 25.24 7.37 88.57 25.26 8.11 86.88 23.90 7.08 86.10 23.48 8.33 2 0 24.39-999 ?-999 ?-999 ? CL CL D 152 mLYS^C 63 87.07 26.34 6.81 86.32 26.18 6.17 87.27 27.97 8.59 86.18 27.65 9.07 87.61 27.67 7.14 87.10 28.81 6.24 2 0 26.04-999 ?-999 ?-999 ? CL CL D 152 mGLN^C 64 88.22 28.56 9.28 89.06 28.74 8.76 88.44 30.40 10.86 89.47 30.86 10.36 88.07 28.92 10.68 88.99 28.04 11.54 2 0 24.16-999 ?-999 ?-999 ? CL CL D 152 mLEU^C 65 87.55 31.12 11.53 86.73 30.60 11.79 87.89 32.58 13.39 86.95 32.28 14.13 87.74 32.52 11.86 86.55 33.37 11.40 3 0 26.12-999 ?-999 ?-999 ? CL CL D 152 mILE^C 66 89.09 32.95 13.83 89.74 33.14 13.09 89.15 34.48 15.71 89.49 35.45 15.02 89.43 33.06 15.24 90.94 32.76 15.51 3 0 24.29-999 ?-999 ?-999 ? CL CL D 152 mARG^C 67 88.51 34.60 16.86 88.21 33.74 17.27 89.12 36.05 18.69 89.21 35.12 19.49 88.26 35.91 17.44 86.78 36.13 17.73 2 0 24.68-999 ?-999 ?-999 ? CL CL C 152 mILE^C 68 89.77 37.20 18.82 89.56 37.85 18.08 90.50 38.91 20.42 90.41 39.85 19.63 90.70 37.49 19.91 92.15 37.40 19.38 3 0 21.12-999 ?-999 ?-999 ? CL CL C 152 mSER^C 69 90.44 39.06 21.75 90.49 38.21 22.28 91.57 40.78 23.13 92.29 39.92 23.66 90.32 40.38 22.36 89.12 40.43 23.29 2 0 18.97-999 ?-999 ?-999 ? CL CL C 152 mALA^C 70 91.86 42.07 23.16 91.26 42.63 22.58 92.27 43.76 24.73 91.74 44.68 24.13 92.95 42.62 23.96 94.09 43.13 23.09 2 0 15.26-999 ?-999 ?-999 ? CL CL C 152 mTHR^C 71 92.24 43.67 26.04 92.72 42.89 26.44 92.49 45.47 27.66 93.20 44.88 28.47 91.54 44.68 26.79 90.49 44.03 27.71 2 0 15.21-999 ?-999 ?-999 ? CL CL C 152 mVAL^C 72 92.51 46.78 27.48 91.92 47.11 26.74 92.55 47.96 29.59 91.32 48.16 29.58 93.32 47.66 28.30 93.70 48.97 27.56 3 0 12.59-999 ?-999 ?-999 ? CL CL C 152 mILE^C 73 93.27 47.95 30.71 94.24 47.76 30.58 93.52 49.24 32.65 94.64 48.94 33.07 92.65 48.19 32.01 92.60 46.88 32.85 3 0 14.01-999 ?-999 ?-999 ? CL CL C 152 mVAL^C 74 93.03 50.48 32.70 92.10 50.55 32.35 92.88 52.57 34.05 91.70 52.69 33.74 93.80 51.63 33.23 94.48 52.36 32.04 3 0 13.23-999 ?-999 ?-999 ? CL CL C 152 mPRO.C 75 93.39 53.20 35.13 94.36 53.02 35.32 91.79 55.25 35.23 90.57 55.35 35.38 92.53 54.09 35.94 93.47 54.62 37.04 3 0 16.04-999 ?-999 ?-999 ? CL CL C 152 mGLN~C 76 92.49 56.12 34.51 93.47 55.92 34.45 91.32 56.95 32.45 92.02 56.32 31.65 91.81 57.26 33.86 92.69 58.51 33.83 2 0 16.50-999 ?-999 ?-999 ? CL CL C 152 mILE~C 77 90.12 57.44 32.15 89.71 57.98 32.89 90.32 57.60 29.63 90.38 56.85 28.63 89.47 57.20 30.87 87.99 57.78 30.87 3 0 17.54-999 ?-999 ?-999 ? CL CL C 152 mSER~C 78 91.00 58.74 29.73 90.89 59.21 30.60 93.11 58.42 28.42 93.60 58.29 27.29 91.85 59.24 28.64 92.19 60.72 28.86 2 0 15.95-999 ?-999 ?-999 ? CL CL C 152 mASP~C 79 93.66 57.87 29.51 93.21 58.12 30.37 94.39 55.68 28.76 95.19 55.08 28.03 94.81 56.99 29.43 95.42 56.74 30.82 2 0 12.42-999 ?-999 ?-999 ? CL CL C 152 mALA~C 80 93.15 55.27 28.99 92.65 55.86 29.62 92.48 54.21 26.87 92.89 53.32 26.11 92.58 54.05 28.37 91.20 53.72 28.96 2 0 13.25-999 ?-999 ?-999 ? CL CL C 152 mILE~C 81 91.94 55.34 26.45 91.63 55.95 27.17 93.20 55.63 24.36 93.37 54.95 23.33 91.82 55.63 25.03 91.06 56.94 24.83 3 0 14.45-999 ?-999 ?-999 ? CL CL C 152 mASN~C 82 94.17 56.33 24.95 93.89 56.82 25.78 96.15 54.98 24.32 96.89 54.66 23.39 95.54 56.38 24.39 96.46 57.28 25.21 2 0 11.48-999 ?-999 ?-999 ? CL CL C 152 mALA~C 83 95.83 54.16 25.32 95.24 54.57 26.01 95.72 51.97 24.21 96.47 51.28 23.50 96.31 52.78 25.37 96.01 52.15 26.74 2 0 9.36-999 ?-999 ?-999 ? CL CL C 152 mLEU~C 84 94.40 52.05 24.00 93.91 52.57 24.69 94.49 51.74 21.51 94.71 50.84 20.68 93.78 51.40 22.82 92.32 51.82 22.63 3 0 12.28-999 ?-999 ?-999 ? CL CL C 152 mASP~C 85 94.82 53.02 21.33 94.54 53.63 22.07 96.85 52.71 19.93 97.19 52.33 18.80 95.53 53.47 20.12 95.79 54.98 20.15 2 0 12.18-999 ?-999 ?-999 ? CL CL C 152 mARG~C 86 97.58 52.50 21.03 97.20 52.90 21.86 98.64 50.27 20.57 99.49 49.75 19.86 98.83 51.74 21.00 99.58 51.81 22.34 2 0 8.81-999 ?-999 ?-999 ? CL CL C 152 mLEU~C 87 97.53 49.64 20.97 96.93 50.20 21.54 96.93 48.09 19.11 97.43 47.18 18.45 97.25 48.24 20.59 96.05 47.67 21.36 3 0 10.62-999 ?-999 ?-999 ? CL CL C 152 mARG~C 88 96.09 48.99 18.62 95.76 49.63 19.31 96.91 49.15 16.32 97.08 48.35 15.39 95.67 49.05 17.23 94.76 50.27 17.07 2 0 13.80-999 ?-999 ?-999 ? CL CL C 152 mARG~C 89 97.78 50.10 16.64 97.49 50.62 17.45 100.00 49.19 16.03 100.71 48.86 15.07 99.02 50.37 15.92 99.65 51.65 16.51 2 0 12.66-999 ?-999 ?-999 ? CL CL C 152 mSER~C 90 100.01 48.54 17.18 99.35 48.88 17.85 100.49 46.16 16.74 101.32 45.51 16.08 100.91 47.44 17.44 101.06 47.21 18.95 2 0 11.01-999 ?-999 ?-999 ? CL CL C 152 mLEU~C 91 99.19 45.85 16.82 98.65 46.56 17.26 98.08 44.56 14.86 98.26 43.56 14.14 98.63 44.59 16.30 97.57 44.09 17.28 3 0 14.07-999 ?-999 ?-999 ? CL CL C 152 mGLY~C 92 97.42 45.63 14.43 97.35 46.38 15.09 97.81 45.20 12.01 98.92 45.71 11.89 96.86 45.68 13.09-999.99-999.99-999.99 1 0 17.04-999 ?-999 ?-999 ? CL CL C 152 mGLY.C 93 97.39 44.18 11.26 96.50 43.81 11.54 99.35 42.73 10.34 100.10 42.48 9.41 98.15 43.65 10.12-999.99-999.99-999.99 1 0 19.64-999 ?-999 ?-999 ? CL CL C 152 mILE.C 94 99.53 42.18 11.53 98.83 42.38 12.22 100.48 39.93 11.23 99.35 39.47 11.14 100.70 41.33 11.74 101.17 41.26 13.22 3 0 18.54-999 ?-999 ?-999 ? CL CL C 152 mGLU.C 95 101.57 39.28 10.87 102.43 39.80 10.94 101.35 37.03 11.63 101.96 37.27 12.68 101.51 37.92 10.40 102.76 37.56 9.60 2 0 21.37-999 ?-999 ?-999 ? CL CL C 152 mLEU.C 96 100.49 36.03 11.51 100.03 36.00 10.62 100.66 33.72 12.09 100.41 33.40 10.91 100.25 35.09 12.59 98.77 35.12 13.00 3 0 21.97-999 ?-999 ?-999 ? CL CL C 152 mPRO.C 97 101.27 32.90 12.97 101.36 33.23 13.90 100.63 30.62 12.10 99.64 30.46 12.82 101.75 31.60 12.51 102.55 31.08 13.72 3 0 23.95-999 ?-999 ?-999 ? CA CA C 153 mASP.C 98 100.79 30.03 10.92 101.60 30.36 10.43 98.48 29.55 10.08 97.49 28.82 10.09 99.87 29.01 10.39 99.84 27.78 11.33 2 0 23.37-999 ?-999 ?-999 ? CL CL D 152 mCYH.C 99 98.42 30.85 9.81 99.29 31.33 9.88 97.26 31.98 7.97 98.34 32.31 7.47 97.18 31.52 9.44 96.89 32.69 10.40 2 0 25.56-999 ?-999 ?-999 ? CL CL D 152 mASP.C 100 96.11 31.99 7.29 95.32 31.73 7.85 96.26 33.81 5.53 96.40 34.16 4.36 96.02 32.35 5.87 94.60 32.11 5.34 2 0 28.64-999 ?-999 ?-999 ? CL CL D 152 mARG.C 101 96.24 34.68 6.52 96.14 34.27 7.43 96.81 36.86 7.49 96.93 36.27 8.56 96.34 36.11 6.25 94.96 36.64 5.81 2 0 26.98-999 ?-999 ?-999 ? CL CL C 152 mPRO.C 102 97.12 38.16 7.34 97.07 38.51 6.40 96.36 39.12 9.48 95.21 38.78 9.19 97.49 38.98 8.48 97.74 40.36 7.86 3 0 23.32-999 ?-999 ?-999 ? CL CL C 152 mLEU.C 103 96.70 39.62 10.66 97.68 39.77 10.79 94.87 41.11 11.18 95.41 42.06 10.62 95.70 39.92 11.68 96.37 40.23 13.01 3 0 21.13-999 ?-999 ?-999 ? CL CL C 152 mTRP^C 104 93.57 41.03 11.35 93.26 40.17 11.76 91.96 42.67 12.22 91.65 41.93 13.16 92.67 42.11 10.98 91.61 41.64 9.99 3 0 22.19-999 ?-999 ?-999 ? CL CL C 152 mLEU^C 105 91.73 43.98 12.23 92.11 44.48 11.45 89.50 44.31 13.06 89.10 44.22 11.90 90.98 44.58 13.32 91.24 46.09 13.42 3 0 20.77-999 ?-999 ?-999 ? CL CL C 152 mGLU^C 106 88.72 44.16 14.12 89.19 44.22 15.00 86.48 45.06 14.61 85.65 45.69 13.97 87.28 43.92 13.96 86.87 42.58 14.60 2 0 21.76-999 ?-999 ?-999 ? CA CA A 153 mSER^C 107 86.73 45.29 15.90 87.41 44.69 16.30 86.77 46.84 17.88 87.76 46.26 18.33 86.04 46.36 16.63 84.64 45.91 17.02 2 0 21.68-999 ?-999 ?-999 ? CA CA A 153 mGLU^C 108 86.28 47.94 18.43 85.55 48.36 17.88 85.44 48.69 20.45 84.44 49.18 19.89 86.72 48.48 19.69 87.49 49.80 19.52 2 0 20.14-999 ?-999 ?-999 ? CL CL C 152 mLYS^C 109 85.43 48.27 21.71 86.27 47.82 22.01 84.60 48.78 23.98 85.59 48.29 24.51 84.24 48.46 22.54 83.24 47.29 22.43 2 0 21.72-999 ?-999 ?-999 ? CL CL C 152 mTYR^C 110 83.78 49.63 24.57 83.08 50.01 23.97 83.36 48.83 26.77 82.20 48.45 26.64 83.90 49.99 25.95 83.13 51.27 26.24 3 0 21.51-999 ?-999 ?-999 ? CL CL C 152 mILE^C 111 84.24 48.25 27.58 85.15 48.64 27.55 83.25 47.63 29.74 82.18 47.18 30.15 83.86 47.13 28.44 85.06 46.20 28.67 3 0 21.91-999 ?-999 ?-999 ? CL CL C 152 mGLY^C 112 83.90 48.59 30.38 84.75 48.89 29.93 84.36 49.85 32.54 85.47 50.20 32.13 83.38 49.13 31.64-999.99-999.99-999.99 1 0 22.59-999 ?-999 ?-999 ? CL CL C 152 mASP~C 113 83.93 50.07 33.77 83.03 49.69 33.98 84.76 50.22 36.13 84.82 50.95 37.11 84.76 50.81 34.72 84.36 52.30 34.74 2 0 22.07-999 ?-999 ?-999 ? CL CL C 152 mALA~C 114 84.70 48.90 36.23 84.67 48.42 35.35 85.98 48.40 38.33 87.08 48.51 37.77 84.69 48.22 37.52 84.41 46.72 37.34 2 0 23.44-999 ?-999 ?-999 ? CL CL C 152 mALA~C 115 85.80 48.44 39.65 84.84 48.38 39.92 87.88 49.68 40.30 89.09 49.54 40.49 86.90 48.55 40.61 87.62 47.22 40.76 2 0 23.17-999 ?-999 ?-999 ? CL CL C 152 mASN~C 116 87.33 50.80 39.84 86.34 50.73 39.72 89.11 51.90 38.42 90.16 52.55 38.46 88.08 52.01 39.52 88.68 52.63 40.78 2 0 21.46-999 ?-999 ?-999 ? CL CL C 152 mPHE~C 117 88.81 51.07 37.43 87.95 50.57 37.56 88.82 50.94 35.01 87.86 50.15 34.88 89.68 50.92 36.26 90.47 49.61 36.29 3 0 18.30-999 ?-999 ?-999 ? CL CL C 152 mCYH^C 118 89.17 51.83 34.09 89.94 52.41 34.36 88.96 50.87 31.84 90.16 50.66 31.67 88.48 51.96 32.81 88.67 53.36 32.25 2 0 17.94-999 ?-999 ?-999 ? CL CL C 152 mARG^C 119 88.01 50.20 31.20 87.08 50.53 31.35 87.79 49.23 28.92 86.61 49.50 28.72 88.33 49.08 30.34 87.76 47.83 30.99 2 0 17.50-999 ?-999 ?-999 ? CL CL C 152 mTYR^C 120 88.69 49.05 27.95 89.61 48.89 28.30 88.97 47.87 25.84 90.13 47.54 26.05 88.37 49.09 26.52 88.96 50.34 25.87 3 0 17.11-999 ?-999 ?-999 ? CL CL C 152 mALA^C 121 88.20 47.22 24.99 87.28 47.60 24.86 88.88 46.29 22.81 88.09 47.01 22.18 88.71 46.06 24.30 87.79 44.88 24.53 2 0 17.57-999 ?-999 ?-999 ? CL CL C 152 mLEU^C 122 89.94 45.72 22.25 90.56 45.30 22.90 89.90 44.27 20.41 90.56 43.37 20.94 90.14 45.73 20.79 91.56 46.17 20.39 3 0 17.22-999 ?-999 ?-999 ? CL CL C 152 mASP^C 123 88.91 44.04 19.55 88.42 44.86 19.27 89.20 42.55 17.71 89.09 43.43 16.86 88.57 42.71 19.07 87.06 42.53 18.97 2 0 20.29-999 ?-999 ?-999 ? CL CL C 152 mMET^C 124 89.85 41.41 17.49 89.79 40.77 18.26 90.27 39.75 15.71 89.81 38.86 16.43 90.58 41.13 16.27 92.07 41.18 16.59 2 0 20.69-999 ?-999 ?-999 ? CL CL C 152 mTHR^C 125 90.51 39.56 14.41 90.82 40.37 13.91 91.50 37.72 13.07 92.29 38.47 12.49 90.30 38.24 13.82 89.08 38.13 12.86 2 0 23.66-999 ?-999 ?-999 ? CL CL C 152 mALA^C 126 91.59 36.40 13.07 90.88 35.95 13.60 91.93 34.57 11.60 90.81 34.14 11.94 92.63 35.69 12.37 93.60 35.14 13.35 2 0 24.63-999 ?-999 ?-999 ? CL CL C 152 mSER^C 127 92.57 34.10 10.54 93.48 34.49 10.37 92.93 31.95 9.40 94.12 32.18 9.14 91.96 33.08 9.72 91.47 33.70 8.42 2 0 26.84-999 ?-999 ?-999 ? CL CL D 152 mTHR^C 128 92.40 30.73 9.40 91.42 30.70 9.62 92.29 28.47 8.49 91.06 28.62 8.45 93.19 29.55 9.09 93.91 29.05 10.36 2 0 24.54-999 ?-999 ?-999 ? CL CL D 152 mLEU^C 129 92.90 27.39 8.00 93.90 27.42 8.04 92.25 25.08 8.36 93.35 24.56 8.55 92.14 26.27 7.45 92.68 25.84 6.10 3 0 23.87-999 ?-999 ?-999 ? CL CL D 152 mPHE^C 130 91.13 24.65 8.93 90.31 25.20 8.78 91.19 22.27 8.74 90.37 22.18 7.83 91.17 23.43 9.72 89.99 23.31 10.70 3 0 20.68-999 ?-999 ?-999 ? CL CL D 152 mILE^C 131 92.16 21.38 8.90 92.79 21.59 9.65 92.11 18.98 8.93 92.91 18.74 9.84 92.27 20.22 8.05 93.60 20.20 7.26 3 0 20.46-999 ?-999 ?-999 ? CL CL D 152 mALA.C 132 91.04 18.24 8.68 90.47 18.58 7.94 91.67 15.87 9.08 92.17 15.76 7.95 90.74 17.03 9.43 89.28 16.63 9.21 2 0 18.41-999 ?-999 ?-999 ? CA CA D 153 mGLU.C 133 91.88 14.99 10.06 91.43 15.23 10.92 91.99 12.73 9.06 90.77 12.77 8.90 92.70 13.80 9.87 93.10 13.21 11.23 2 0 15.84-999 ?-999 ?-999 ? CA CA D 153 mGLN.C 134 92.77 11.79 8.53 93.74 11.97 8.69 92.08 9.46 8.75 91.80 9.67 9.94 92.28 10.63 7.78 93.26 10.26 6.65 2 0 14.88-999 ?-999 ?-999 ? CA CA D 153 mASN.D -1 68.83 1.19 8.77 68.51 1.06 7.83 69.14 2.81 10.66 69.85 3.73 10.25 69.31 1.37 10.16 70.74 0.86 10.32 2 0 20.18-999 ?-999 ?-999 ? CL CL E 152 mALA.D 0 68.15 2.99 11.53 67.64 2.15 11.75 68.94 4.69 13.07 69.50 3.84 13.76 67.83 4.28 12.10 66.49 4.22 12.81 2 0 18.05-999 ?-999 ?-999 ? CL CL E 152 mMET.D 1 69.25 5.98 13.11 68.72 6.56 12.49 69.85 6.45 15.47 68.75 6.89 15.84 70.28 6.47 14.00 70.66 7.90 13.65 2 0 18.68-999 ?-999 ?-999 ? CL CL E 152 mGLU~D 2 70.75 5.93 16.31 71.56 5.56 15.86 71.41 7.05 18.25 72.64 7.00 18.15 70.56 5.92 17.74 71.02 4.61 18.34 2 0 16.42-999 ?-999 ?-999 ? CL CL E 152 mTHR~D 3 70.75 8.07 18.78 69.76 7.92 18.80 72.48 9.05 20.31 73.52 9.71 20.30 71.38 9.30 19.27 70.31 10.20 19.84 2 0 17.65-999 ?-999 ?-999 ? CL CL E 152 mLEU~D 4 72.25 8.09 21.19 71.38 7.62 21.06 74.46 7.13 21.66 75.56 7.36 22.19 73.19 7.75 22.24 72.51 6.81 23.25 3 0 17.31-999 ?-999 ?-999 ? CA CA D 153 mSER~D 5 74.31 6.36 20.58 73.36 6.24 20.30 76.37 6.82 19.30 77.59 6.68 19.35 75.45 5.75 19.89 75.00 4.78 18.79 2 0 14.21-999 ?-999 ?-999 ? CA CA D 153 mVAL~D 6 75.79 7.89 18.74 74.79 7.84 18.70 77.43 9.62 19.40 78.65 9.73 19.30 76.60 9.01 18.24 75.75 10.09 17.54 3 0 14.53-999 ?-999 ?-999 ? CA CA D 153 mILE~D 7 76.76 9.95 20.50 75.77 9.81 20.43 78.53 9.52 22.21 79.63 9.96 22.59 77.43 10.48 21.71 76.41 10.68 22.89 3 0 14.94-999 ?-999 ?-999 ? CA CA D 153 mHIS~D 8 78.24 8.22 22.21 77.32 7.99 21.89 80.44 7.14 21.76 81.56 6.95 22.25 79.20 7.22 22.66 78.57 5.83 22.81 3 0 11.95-999 ?-999 ?-999 ? CA CA D 153 mTHR~D 9 80.22 7.26 20.46 79.26 7.36 20.22 82.24 8.42 19.70 83.48 8.23 19.75 81.29 7.24 19.48 80.72 7.25 18.06 2 0 9.66-999 ?-999 ?-999 ? CA CA D 153 mVAL~D 10 81.66 9.62 19.83 80.66 9.60 19.72 83.21 10.69 21.40 84.43 10.88 21.40 82.41 10.84 20.10 81.48 12.07 20.12 3 0 11.56-999 ?-999 ?-999 ? CA CA D 153 mALA~D 11 82.55 10.26 22.47 81.58 10.09 22.31 84.36 9.03 23.72 85.43 9.26 24.28 83.22 10.05 23.76 82.21 9.66 24.84 2 0 11.45-999 ?-999 ?-999 ? CA CA D 153 mASN~D 12 84.11 7.88 23.09 83.19 7.81 22.72 86.30 7.28 22.10 87.44 6.97 22.42 85.11 6.83 22.95 84.46 5.59 22.34 2 0 7.78-999 ?-999 ?-999 ? CA CA D 153 mARG~D 13 86.03 8.02 21.01 85.06 8.21 20.88 88.03 9.42 20.90 89.25 9.31 20.81 87.10 8.48 20.12 86.52 9.11 18.84 2 0 7.44-999 ?-999 ?-999 ? CA CA D 153 mLEU~D 14 87.42 10.29 21.70 86.42 10.27 21.66 89.04 10.48 23.59 90.18 10.89 23.81 88.15 11.19 22.57 87.21 12.13 23.32 3 0 9.06-999 ?-999 ?-999 ? CL CL D 152 mARG~D 15 88.51 9.44 24.24 87.56 9.24 23.99 90.46 7.95 24.62 91.53 7.88 25.23 89.27 8.67 25.22 88.40 7.66 25.98 2 0 7.82-999 ?-999 ?-999 ? CA CA D 154 mGLU~D 16 90.26 7.37 23.44 89.34 7.48 23.06 92.50 7.57 22.37 93.65 7.21 22.59 91.34 6.66 22.78 90.82 5.85 21.59 2 0 -6.95-999 ?-999 ?-999 ? CA CA D 153s mLEU~D 17 92.20 8.74 21.81 91.23 8.94 21.73 93.82 10.55 22.47 94.85 11.18 22.28 93.27 9.64 21.37 92.83 10.50 20.18 3 0 6.75-999 ?-999 ?-999 ? CL CL D 152 mASN~D 18 93.10 10.63 23.59 92.28 10.05 23.59 93.36 10.77 26.08 92.51 11.15 26.88 93.49 11.48 24.72 92.62 12.73 24.72 2 0 -3.48-999 ?-999 ?-999 ? CL CL D 152s mPRO.D 19 94.24 9.79 26.36 94.96 9.68 25.68 94.24 9.68 28.95 93.85 9.13 29.98 94.12 8.95 27.59 95.27 7.95 27.45 3 0 4.32-999 ?-999 ?-999 ? CL CL D 152s mASP.D 20 94.77 10.90 28.94 95.04 11.24 28.04 93.73 12.55 30.47 93.64 13.11 31.55 94.92 11.65 30.17 96.24 12.42 30.19 2 0 -3.82-999 ?-999 ?-999 ? CL CL D 152s mMET.D 21 92.82 12.66 29.52 93.03 12.16 28.67 90.53 12.64 30.42 90.46 11.40 30.28 91.62 13.45 29.72 91.09 13.99 28.39 2 0 5.45-999 ?-999 ?-999 ? CL CL D 152 mASP^D 22 89.67 13.33 31.16 89.84 14.31 31.19 87.29 12.99 31.11 86.76 14.10 31.23 88.58 12.67 31.86 88.51 13.16 33.30 2 0 6.93-999 ?-999 ?-999 ? CA CA D 154 mILE^D 23 86.80 12.02 30.34 87.29 11.15 30.40 84.32 11.79 30.14 84.21 10.64 30.55 85.62 12.26 29.49 85.81 11.60 28.09 3 0 9.32-999 ?-999 ?-999 ? CA CA D 154 mHIS^D 24 83.34 12.69 30.26 83.57 13.59 29.90 80.86 12.73 30.02 80.90 13.73 29.31 82.05 12.33 30.87 81.83 13.09 32.19 3 0 12.31-999 ?-999 ?-999 ? CA CA D 154 mILE^D 25 79.79 11.96 30.16 79.95 11.11 30.66 77.71 12.50 30.92 77.34 11.53 31.58 78.49 12.32 29.61 77.88 11.23 28.72 3 0 15.79-999 ?-999 ?-999 ? CA CA D 154 mSER.D 26 77.54 13.76 31.31 77.86 14.44 30.65 75.57 14.81 32.45 75.25 15.36 31.38 76.93 14.11 32.59 77.90 15.03 33.35 2 0 17.72-999 ?-999 ?-999 ? CA CA D 154 mSER.D 27 74.79 14.77 33.54 75.16 14.21 34.28 73.74 16.93 34.07 72.82 17.75 34.02 73.50 15.48 33.64 72.57 14.82 34.66 2 0 21.47-999 ?-999 ?-999 ? CA CA D 154 mTHR.D 28 74.95 17.24 34.53 75.59 16.47 34.54 75.78 19.44 33.83 76.54 18.97 33.00 75.27 18.59 34.99 76.31 18.60 36.15 2 0 21.41-999 ?-999 ?-999 ? CA CA D 154 mASP.D 29 75.33 20.69 33.79 74.67 20.91 34.51 77.26 21.98 32.97 77.69 22.37 34.05 75.77 21.65 32.78 74.94 22.94 32.86 2 0 22.52-999 ?-999 ?-999 ? CA CA D 154 mALA.D 30 78.01 21.83 31.89 77.49 21.53 31.09 79.81 23.56 32.17 80.98 23.89 32.39 79.45 22.09 31.88 80.07 21.61 30.58 2 0 19.80-999 ?-999 ?-999 ? CL CL D 152 mLYS.D 31 78.81 24.42 32.21 77.92 24.06 31.94 79.29 25.84 34.15 80.02 26.70 34.64 79.05 25.80 32.62 77.88 26.71 32.21 2 0 22.29-999 ?-999 ?-999 ? CL CL D 152 mVAL.D 32 78.70 24.89 34.88 78.18 24.22 34.35 79.49 23.64 36.99 79.87 23.70 38.17 78.82 24.87 36.36 77.44 25.07 37.06 3 0 23.00-999 ?-999 ?-999 ? CA CA D 154 mTYR.D 33 79.64 22.54 36.24 79.28 22.65 35.31 81.59 21.56 37.43 82.38 22.38 36.97 80.26 21.30 36.74 80.47 20.30 35.59 3 0 19.55-999 ?-999 ?-999 ? CA CA D 154 mILE.D 34 81.83 20.90 38.56 81.11 20.27 38.83 83.79 19.81 39.51 83.37 18.98 40.33 83.07 21.13 39.31 82.83 21.80 40.72 3 0 18.55-999 ?-999 ?-999 ? CA CA D 154 mPRO.D 35 84.86 19.59 38.74 85.08 20.29 38.06 86.44 18.44 40.22 86.72 19.53 40.72 85.63 18.38 38.94 86.60 18.36 37.74 3 0 15.02-999 ?-999 ?-999 ? CA CA D 154 mTHR.D 36 86.76 17.28 40.78 86.34 16.48 40.36 89.00 17.01 41.24 89.08 16.27 40.25 87.66 17.23 41.92 87.38 16.02 42.87 2 0 15.06-999 ?-999 ?-999 ? CA CA D 154 mGLY.D 37 90.06 17.64 41.71 89.90 18.22 42.50 91.51 18.35 39.85 90.57 19.01 39.40 91.33 17.43 41.04-999.99-999.99-999.99 1 0 13.58-999 ?-999 ?-999 ? CA CA D 154 mGLN.D 38 92.73 18.38 39.32 93.37 17.72 39.71 93.43 18.72 36.88 94.10 19.40 36.08 93.05 19.31 38.25 94.13 20.28 38.75 2 0 13.27-999 ?-999 ?-999 ? CA CA D 154 mGLN.D 39 93.02 17.48 36.60 92.55 17.01 37.35 92.32 17.53 34.25 91.37 18.22 34.63 93.27 16.89 35.28 93.16 15.36 35.27 2 0 9.81-999 ?-999 ?-999 ? CA CA D 154 mVAL.D 40 92.58 17.36 32.96 93.41 16.83 32.77 90.38 17.13 31.93 90.38 15.91 31.76 91.70 17.91 31.94 92.35 17.88 30.53 3 0 8.60-999 ?-999 ?-999 ? CL CL D 152 mTHR^D 41 89.26 17.83 32.13 89.42 18.81 32.26 87.17 17.63 30.92 87.25 18.78 30.48 87.94 17.21 32.16 87.16 17.61 33.45 2 0 10.80-999 ?-999 ?-999 ? CL CL D 152 mVAL^D 42 86.45 16.69 30.31 86.52 15.78 30.73 84.23 16.44 29.30 84.04 15.27 29.57 85.65 17.00 29.13 86.31 16.50 27.82 3 0 11.55-999 ?-999 ?-999 ? CL CL D 152 mLEU^D 43 83.25 17.32 29.18 83.53 18.26 29.02 81.23 16.89 27.88 81.30 17.89 27.17 81.86 16.89 29.28 81.05 17.78 30.22 3 0 14.97-999 ?-999 ?-999 ? CA CA D 154 mILE^D 44 80.66 15.75 27.50 80.73 15.01 28.18 78.48 15.73 26.47 77.94 15.19 27.46 79.99 15.60 26.22 80.35 14.25 25.53 3 0 16.36-999 ?-999 ?-999 ? CL CL D 152 mHIS^D 45 77.81 16.48 25.60 78.36 16.83 24.85 75.69 16.80 24.41 76.22 17.31 23.42 76.39 16.75 25.75 76.22 18.08 26.50 3 0 20.13-999 ?-999 ?-999 ? CL CL D 152 mTYR^D 46 74.49 16.24 24.38 74.22 15.80 25.23 72.78 17.50 23.35 71.96 17.59 24.26 73.65 16.27 23.20 72.80 14.99 23.08 3 0 21.76-999 ?-999 ?-999 ? CA CA D 153 mCYH^D 47 72.97 18.47 22.45 73.65 18.25 21.75 70.81 19.65 21.95 69.89 20.24 22.49 72.22 19.72 22.53 73.01 20.83 21.83 2 0 24.08-999 ?-999 ?-999 ? CL CL E 152 mGLY^D 48 70.65 18.92 20.86 71.48 18.47 20.53 69.49 18.66 18.72 70.60 18.58 18.19 69.35 18.80 20.23-999.99-999.99-999.99 1 0 22.25-999 ?-999 ?-999 ? CL CL E 152 mSER^D 49 68.35 18.66 18.03 67.53 18.76 18.59 67.37 19.51 15.95 66.49 20.08 16.60 68.32 18.53 16.59 67.88 17.12 16.19 2 0 22.87-999 ?-999 ?-999 ? CL CL E 152 mVAL^D 50 67.57 19.73 14.66 68.41 19.32 14.30 66.30 19.56 12.73 67.18 18.85 12.21 66.64 20.51 13.87 67.21 21.88 13.40 3 0 25.02-999 ?-999 ?-999 ? CL CL E 152 mPHE^D 51 65.01 19.51 12.38 64.43 20.12 12.91 63.97 19.51 10.21 63.13 20.38 10.45 64.50 18.65 11.31 63.36 17.78 11.82 3 0 24.39-999 ?-999 ?-999 ? CL CL E 152 mALA.D 52 64.42 19.25 8.99 65.10 18.52 8.94 62.58 19.41 7.47 62.33 18.24 7.74 63.94 20.00 7.85 64.93 19.90 6.70 2 0 27.49-999 ?-999 ?-999 ? CL CL E 152 mGLU.D 53 61.72 20.20 6.84 62.01 21.15 6.72 60.72 18.63 5.32 61.74 18.71 4.64 60.44 19.69 6.39 59.61 20.80 5.70 2 0 26.51-999 ?-999 ?-999 ? CA CA E 153 mPRO.D 54 59.84 17.62 5.19 59.10 17.59 5.86 59.93 17.41 2.77 59.13 18.34 2.64 60.00 16.66 4.10 58.79 15.74 4.26 3 0 25.46-999 ?-999 ?-999 ? CA CA E 153 mGLU.D 55 60.74 16.99 1.80 61.23 16.16 2.05 59.68 17.79 -0.42 59.85 18.03 -1.61 60.88 17.68 0.51 62.03 17.05 -0.25 2 0 28.62-999 ?-999 ?-999 ? CA CA E 153 mASN.D 56 58.48 17.63 0.14 58.53 17.50 1.13 57.17 16.47 -1.60 56.92 16.64 -2.80 57.21 17.64 -0.62 56.92 19.00 -1.30 2 0 27.43-999 ?-999 ?-999 ? CA CA E 153 mTHR.D 57 57.46 15.28 -1.08 57.72 15.32 -0.11 56.49 13.06 -1.09 56.11 13.33 0.05 57.40 14.04 -1.85 58.80 13.43 -2.13 2 0 26.53-999 ?-999 ?-999 ? CA CA E 153 mASP.D 58 56.17 11.94 -1.73 56.60 11.84 -2.62 55.65 10.27 0.18 54.85 9.51 0.74 55.24 10.95 -1.14 54.83 9.92 -2.20 2 0 23.66-999 ?-999 ?-999 ? CA CA E 153 mALA.D 59 56.84 10.55 0.69 57.37 11.21 0.15 57.72 10.94 3.01 58.31 11.98 2.70 57.32 9.93 1.93 58.48 8.98 1.64 2 0 21.98-999 ?-999 ?-999 ? CA CA E 153 mTHR.D 60 57.38 10.65 4.26 56.84 9.81 4.38 59.25 11.20 5.72 59.55 10.33 6.54 57.79 11.54 5.36 56.84 11.51 6.59 2 0 20.64-999 ?-999 ?-999 ? CA CA E 153 mVAL^D 61 60.14 11.89 5.02 59.73 12.52 4.37 62.11 13.13 5.56 61.92 14.10 4.83 61.57 11.74 5.18 62.17 11.20 3.86 3 0 23.43-999 ?-999 ?-999 ? CA CA E 153 mGLN^D 62 62.75 13.24 6.72 62.87 12.37 7.21 64.74 14.54 7.52 65.23 13.65 8.23 63.24 14.53 7.19 62.45 14.98 8.44 2 0 24.37-999 ?-999 ?-999 ? CL CL E 152 mLYS^D 63 65.45 15.53 6.99 64.94 16.15 6.39 67.03 16.15 8.70 66.31 17.04 9.14 66.88 15.66 7.27 67.56 16.61 6.31 2 0 26.01-999 ?-999 ?-999 ? CL CL E 152 mGLN^D 64 67.95 15.54 9.43 68.48 14.85 8.95 69.56 16.38 11.05 70.54 15.67 10.78 68.14 15.88 10.81 67.86 14.65 11.67 2 0 24.15-999 ?-999 ?-999 ? CL CL E 152 mLEU^D 65 69.65 17.61 11.54 68.77 18.08 11.63 71.05 18.08 13.41 70.31 18.69 14.15 70.91 18.22 11.90 70.93 19.70 11.51 3 0 25.66-999 ?-999 ?-999 ? CA CA D 153 mILE^D 66 72.01 17.26 13.84 72.53 16.87 13.09 73.38 17.87 15.81 74.45 18.00 15.20 72.28 16.96 15.25 72.83 15.50 15.35 3 0 23.11-999 ?-999 ?-999 ? CA CA D 153 mARG^D 67 73.13 18.47 16.98 72.21 18.30 17.34 74.68 18.66 18.91 73.92 18.24 19.79 74.13 19.32 17.64 73.61 20.72 17.96 2 0 23.30-999 ?-999 ?-999 ? CA CA D 153 mILE^D 68 76.00 18.63 18.99 76.46 19.05 18.21 77.84 18.92 20.59 78.62 19.44 19.79 76.71 18.03 20.11 77.28 16.67 19.67 3 0 20.70-999 ?-999 ?-999 ? CA CA D 153 mSER^D 69 77.94 19.09 21.90 77.22 18.65 22.44 80.03 19.02 23.25 79.69 17.95 23.76 79.04 19.88 22.45 78.53 21.06 23.30 2 0 18.98-999 ?-999 ?-999 ? CL CL D 152 mALA^D 70 81.26 19.51 23.32 81.37 20.34 22.76 82.97 20.13 24.85 83.55 21.03 24.25 82.34 18.93 24.09 83.36 18.27 23.17 2 0 15.31-999 ?-999 ?-999 ? CL CL D 152 mTHR^D 71 82.84 20.15 26.16 82.39 19.35 26.56 84.53 20.90 27.77 84.45 19.96 28.55 83.34 21.29 26.92 82.25 21.92 27.82 2 0 15.37-999 ?-999 ?-999 ? CL CL D 152 mVAL^D 72 85.64 21.61 27.57 85.57 22.29 26.85 86.70 22.22 29.62 86.28 23.37 29.56 86.85 21.39 28.36 88.16 21.80 27.60 3 0 12.79-999 ?-999 ?-999 ? CL CL D 152 mILE^D 73 87.01 21.61 30.75 87.31 20.66 30.63 88.34 22.01 32.64 88.69 20.91 33.06 86.94 22.24 32.06 85.82 21.58 32.93 3 0 14.26-999 ?-999 ?-999 ? CL CL D 152 mVAL^D 74 89.14 23.07 32.64 88.70 23.92 32.35 90.89 24.22 33.87 90.44 25.31 33.52 90.55 22.98 33.03 91.46 22.98 31.74 3 0 13.29-999 ?-999 ?-999 ? CL CL D 152 mPRO.D 75 91.67 24.07 34.96 91.95 23.12 35.13 92.77 26.37 35.09 92.30 27.51 35.17 92.05 25.21 35.81 92.99 24.58 36.85 3 0 16.00-999 ?-999 ?-999 ? CL CL D 152 mGLN~D 76 93.87 26.08 34.39 94.12 25.12 34.38 94.18 27.38 32.24 94.04 26.44 31.45 94.61 27.14 33.69 96.12 26.91 33.79 2 0 16.11-999 ?-999 ?-999 ? CL CL D 152 mILE~D 77 94.01 28.66 31.91 94.21 29.29 32.65 94.34 28.49 29.39 93.75 28.01 28.42 93.55 29.08 30.58 93.40 30.67 30.49 3 0 17.03-999 ?-999 ?-999 ? CL CL D 152 mSER~D 78 95.67 28.47 29.50 96.02 28.82 30.36 96.35 26.47 28.21 96.46 25.98 27.09 96.51 27.97 28.42 97.98 28.36 28.63 2 0 15.38-999 ?-999 ?-999 ? CL CL D 152 mASP~D 79 96.08 25.74 29.30 96.05 26.26 30.15 94.44 24.02 28.64 94.22 22.98 28.02 95.84 24.31 29.22 95.99 23.66 30.60 2 0 11.89-999 ?-999 ?-999 ? CL CL D 152 mALA~D 80 93.51 24.95 28.84 93.83 25.72 29.39 92.16 24.97 26.78 91.46 24.26 26.08 92.14 24.83 28.30 91.24 25.89 28.91 2 0 12.87-999 ?-999 ?-999 ? CL CL D 152 mILE~D 81 92.99 25.89 26.29 93.48 26.40 27.00 93.91 24.96 24.16 93.47 24.50 23.11 93.17 26.13 24.86 93.89 27.48 24.60 3 0 13.86-999 ?-999 ?-999 ? CL CL D 152 mASN~D 82 95.01 24.49 24.74 95.30 24.99 25.55 94.76 22.11 24.07 94.82 21.38 23.07 95.71 23.32 24.19 96.94 22.93 25.03 2 0 10.92-999 ?-999 ?-999 ? CL CL D 152 mALA~D 83 93.90 21.94 25.08 93.98 22.62 25.80 91.83 20.99 24.03 91.35 20.01 23.46 92.92 20.83 25.11 92.30 20.71 26.51 2 0 8.87-999 ?-999 ?-999 ? CL CL D 152 mLEU~D 84 91.46 22.23 23.77 91.92 22.91 24.33 91.02 22.18 21.36 90.32 21.59 20.54 90.46 22.55 22.75 90.11 24.03 22.87 3 0 12.01-999 ?-999 ?-999 ? CL CL D 152 mASP~D 85 92.29 22.51 21.12 92.72 23.05 21.85 92.99 20.56 19.76 92.81 20.00 18.68 92.97 22.11 19.89 94.41 22.63 19.87 2 0 12.02-999 ?-999 ?-999 ? CL CL D 152 mARG~D 86 93.21 19.87 20.88 93.40 20.45 21.68 91.83 17.81 20.53 91.78 16.81 19.81 93.19 18.42 20.91 93.62 17.92 22.29 2 0 8.63-999 ?-999 ?-999 ? CL CL D 152 mLEU~D 87 90.74 18.42 20.99 90.90 19.23 21.56 89.15 18.06 19.17 88.66 17.14 18.51 89.41 17.90 20.66 88.29 18.59 21.45 3 0 10.39-999 ?-999 ?-999 ? CL CL D 152 mARG~D 88 89.49 19.23 18.64 89.91 19.89 19.26 89.99 18.49 16.32 89.44 17.99 15.35 89.22 19.48 17.23 89.40 20.97 16.84 2 0 13.51-999 ?-999 ?-999 ? CL CL D 152 mARG~D 89 91.24 18.18 16.66 91.55 18.63 17.50 91.58 15.83 15.98 91.71 15.04 15.02 92.06 17.27 15.87 93.53 17.38 16.27 2 0 12.42-999 ?-999 ?-999 ? CL CL D 152 mSER~D 90 91.03 15.50 17.14 91.00 16.26 17.79 89.16 13.92 16.80 88.87 12.79 16.40 90.51 14.18 17.44 90.31 14.02 18.96 2 0 10.90-999 ?-999 ?-999 ? CL CL D 152 mLEU~D 91 88.33 14.96 16.75 88.73 15.83 17.02 86.55 15.24 14.93 85.68 14.63 14.32 86.93 14.79 16.33 86.00 15.45 17.33 3 0 13.81-999 ?-999 ?-999 ? CA CA D 153 mGLY~D 92 87.18 16.30 14.45 87.86 16.69 15.06 86.99 15.77 12.07 88.03 15.11 11.97 86.87 16.83 13.14-999.99-999.99-999.99 1 0 16.65-999 ?-999 ?-999 ? CA CA D 153 mGLY.D 93 85.91 15.57 11.32 85.12 16.12 11.59 85.64 13.14 10.48 85.60 12.33 9.55 85.91 14.61 10.20-999.99-999.99-999.99 1 0 16.15-999 ?-999 ?-999 ? CA CA D 153 mILE.D 94 85.45 12.76 11.74 85.47 13.49 12.42 83.87 10.82 11.55 82.89 11.60 11.43 85.23 11.34 12.02 85.42 10.97 13.52 3 0 12.69-999 ?-999 ?-999 ? CA CA D 153 mGLU.D 95 83.82 9.53 11.25 84.69 9.04 11.33 81.77 8.53 12.06 82.31 8.07 13.07 82.57 8.90 10.83 82.81 7.65 9.96 2 0 12.77-999 ?-999 ?-999 ? CA CA D 153 mLEU.D 96 80.47 8.75 11.96 80.19 9.10 11.07 78.54 7.46 12.58 78.08 7.52 11.44 79.55 8.50 13.05 78.88 9.82 13.45 3 0 13.18-999 ?-999 ?-999 ? CA CA D 153 mPRO.D 97 78.18 6.51 13.45 78.59 6.61 14.36 75.89 5.93 12.56 75.23 6.74 13.21 77.25 5.44 13.08 77.08 4.65 14.39 3 0 13.70-999 ?-999 ?-999 ? CA CA D 153 mASP.D 98 75.50 5.45 11.38 76.17 4.83 10.96 74.04 7.25 10.32 72.93 7.71 10.07 74.21 5.78 10.74 73.05 5.31 11.63 2 0 17.43-999 ?-999 ?-999 ? CA CA D 153 mCYH.D 99 75.15 7.98 10.25 75.98 7.48 10.54 75.54 9.41 8.32 76.33 8.59 7.85 75.15 9.36 9.80 76.08 10.22 10.67 2 0 18.38-999 ?-999 ?-999 ? CA CA D 153 mASP.D 100 74.98 10.36 7.58 74.41 11.01 8.10 76.46 11.20 5.70 76.73 11.34 4.50 75.20 10.43 6.14 73.94 10.92 5.41 2 0 20.86-999 ?-999 ?-999 ? CA CA D 153 mARG.D 101 77.21 11.71 6.69 76.85 11.54 7.60 79.30 12.50 7.68 78.83 12.12 8.75 78.44 12.45 6.43 78.16 13.87 5.93 2 0 19.74-999 ?-999 ?-999 ? CA CA D 153 mPRO.D 102 80.57 12.93 7.55 80.86 13.17 6.62 81.01 14.08 9.73 80.18 14.93 9.40 81.44 13.00 8.74 82.81 13.37 8.16 3 0 17.19-999 ?-999 ?-999 ? CA CA D 153 mLEU.D 103 81.57 14.01 10.94 82.16 13.21 11.07 82.02 16.30 11.52 83.17 16.30 11.06 81.35 15.01 11.98 81.89 14.55 13.34 3 0 17.10-999 ?-999 ?-999 ? CA CA D 153 mTRP^D 104 81.29 17.39 11.65 80.40 17.22 12.07 81.85 19.64 12.42 81.00 19.62 13.32 81.73 18.72 11.22 80.66 19.31 10.30 3 0 20.31-999 ?-999 ?-999 ? CA CA D 153 mLEU^D 105 82.89 20.45 12.44 83.52 20.34 11.67 82.15 22.60 13.23 81.97 22.96 12.08 83.06 21.42 13.52 84.52 21.87 13.61 3 0 20.47-999 ?-999 ?-999 ? CL CL D 152 mGLU^D 106 81.56 23.19 14.27 81.79 22.80 15.16 81.20 25.59 14.71 81.24 26.65 14.07 80.66 24.32 14.07 79.25 24.01 14.59 2 0 23.07-999 ?-999 ?-999 ? CL CL D 152 mSER^D 107 81.59 25.49 15.97 81.47 24.59 16.39 82.86 26.28 17.97 82.70 25.17 18.50 82.15 26.63 16.67 81.05 27.67 16.95 2 0 22.11-999 ?-999 ?-999 ? CL CL D 152 mGLU^D 108 83.66 27.23 18.45 83.74 28.01 17.83 83.96 28.43 20.45 83.95 29.53 19.87 84.35 27.15 19.74 85.86 27.06 19.59 2 0 19.88-999 ?-999 ?-999 ? CL CL D 152 mLYS^D 109 83.64 28.29 21.73 83.82 27.37 22.09 83.56 29.31 23.97 83.60 28.24 24.59 83.10 29.38 22.53 81.57 29.26 22.46 2 0 21.55-999 ?-999 ?-999 ? CL CL D 152 mTYR^D 110 83.92 30.47 24.50 83.89 31.25 23.88 83.04 30.58 26.73 82.17 31.42 26.55 84.31 30.58 25.89 85.12 31.86 26.12 3 0 21.43-999 ?-999 ?-999 ? CL CL D 152 mILE^D 111 82.94 29.60 27.63 83.73 29.00 27.67 81.89 30.23 29.81 80.94 30.90 30.23 81.76 29.46 28.48 81.44 27.97 28.73 3 0 22.12-999 ?-999 ?-999 ? CL CL D 152 mGLY^D 112 83.05 30.16 30.45 83.74 29.59 30.00 84.44 30.35 32.56 85.21 29.50 32.11 83.28 30.87 31.72-999.99-999.99-999.99 1 0 22.80-999 ?-999 ?-999 ? CL CL D 152 mASP~D 113 84.55 30.87 33.79 83.83 31.52 34.02 85.11 30.15 36.12 85.78 30.42 37.13 85.63 30.50 34.70 86.64 31.65 34.77 2 0 22.15-999 ?-999 ?-999 ? CL CL D 152 mALA~D 114 83.94 29.53 36.18 83.53 29.33 35.29 84.14 28.21 38.31 84.74 27.26 37.79 83.31 29.17 37.47 81.88 28.62 37.25 2 0 23.47-999 ?-999 ?-999 ? CL CL D 152 mALA~D 115 84.17 28.47 39.62 83.66 29.30 39.86 86.37 27.44 40.28 86.96 26.43 40.65 84.89 27.65 40.60 84.17 26.30 40.80 2 0 23.29-999 ?-999 ?-999 ? CL CL D 152 mASN~D 116 86.96 28.42 39.59 86.34 29.17 39.37 88.80 27.35 38.13 89.92 26.83 38.18 88.37 28.40 39.18 89.29 28.44 40.40 2 0 21.50-999 ?-999 ?-999 ? CL CL D 152 mPHE~D 117 87.89 27.08 37.19 87.01 27.53 37.36 87.70 26.96 34.79 86.56 27.41 34.70 88.13 26.21 36.04 87.31 24.92 36.12 3 0 18.26-999 ?-999 ?-999 ? CL CL D 152 mCYH^D 118 88.61 27.11 33.83 89.52 26.75 34.06 87.49 26.75 31.74 87.78 25.56 31.75 88.30 27.75 32.56 89.58 28.11 31.81 2 0 17.93-999 ?-999 ?-999 ? CL CL D 152 mARG^D 119 86.49 27.25 31.03 86.42 28.25 31.07 85.38 26.90 28.82 84.96 28.03 28.59 85.58 26.41 30.26 84.24 26.35 30.99 2 0 17.64-999 ?-999 ?-999 ? CL CL D 152 mTYR^D 120 85.70 26.04 27.87 86.09 25.19 28.22 84.72 25.15 25.85 85.01 23.99 26.10 85.51 26.30 26.45 86.84 26.39 25.71 3 0 17.23-999 ?-999 ?-999 ? CL CL D 152 mALA^D 121 83.76 25.48 25.01 83.64 26.46 24.87 83.25 24.37 22.87 83.43 25.40 22.20 82.95 24.46 24.36 81.49 24.75 24.56 2 0 17.78-999 ?-999 ?-999 ? CL CL D 152 mLEU^D 122 83.35 23.14 22.37 83.32 22.41 23.05 82.11 22.39 20.46 81.64 21.34 20.91 83.48 22.91 20.93 84.59 21.89 20.62 3 0 17.21-999 ?-999 ?-999 ? CL CL D 152 mASP^D 123 81.46 23.17 19.61 81.93 24.02 19.38 80.38 22.06 17.75 81.18 22.48 16.94 80.15 22.78 19.07 79.22 23.99 18.91 2 0 20.34-999 ?-999 ?-999 ? CL CL D 152 mMET^D 124 79.70 20.95 17.55 79.07 20.73 18.29 78.52 19.75 15.81 77.52 19.73 16.54 79.86 20.15 16.36 80.63 18.87 16.72 2 0 20.63-999 ?-999 ?-999 ? CL CL D 152 mTHR^D 125 78.47 19.44 14.52 79.32 19.58 14.02 77.42 17.61 13.25 78.47 17.30 12.68 77.24 18.95 13.95 76.53 19.94 13.00 2 0 21.70-999 ?-999 ?-999 ? CA CA D 153 mALA^D 126 76.37 16.81 13.35 75.65 17.15 13.95 75.01 15.61 11.83 74.12 16.46 12.07 76.28 15.54 12.66 76.22 14.41 13.64 2 0 20.01-999 ?-999 ?-999 ? CA CA D 153 mSER^D 127 74.89 14.74 10.84 75.65 14.10 10.72 73.24 13.35 9.74 74.04 12.46 9.51 73.70 14.76 10.02 73.97 15.48 8.70 2 0 22.16-999 ?-999 ?-999 ? CA CA D 153 mTHR^D 128 71.93 13.16 9.77 71.39 13.96 10.04 69.99 12.09 8.81 69.45 13.20 8.82 71.37 11.88 9.44 71.29 10.91 10.64 2 0 22.58-999 ?-999 ?-999 ? CA CA D 153 mLEU^D 129 69.41 11.02 8.28 69.94 10.18 8.37 67.08 10.36 8.47 67.19 9.16 8.67 68.12 11.10 7.63 68.24 10.48 6.24 3 0 23.96-999 ?-999 ?-999 ? CL CL E 152 mPHE^D 130 66.10 11.08 9.00 66.16 12.06 8.83 63.98 9.92 8.78 63.48 10.67 7.95 65.03 10.43 9.75 64.40 11.38 10.77 3 0 20.73-999 ?-999 ?-999 ? CL CL E 152 mILE^D 131 63.64 8.64 8.88 64.12 8.14 9.60 61.46 7.55 8.83 61.62 6.68 9.67 62.64 8.05 7.99 63.24 6.90 7.13 3 0 20.58-999 ?-999 ?-999 ? CL CL E 152 mALA.D 132 60.29 8.13 8.58 60.32 8.81 7.85 58.61 6.36 9.10 58.69 5.83 8.00 59.09 7.79 9.32 57.96 8.76 8.96 2 0 17.89-999 ?-999 ?-999 ? CA CA E 153 mGLU.D 133 58.11 5.77 10.18 58.20 6.30 11.01 56.14 4.57 9.40 55.78 5.63 8.89 57.48 4.45 10.13 57.24 3.93 11.55 2 0 15.30-999 ?-999 ?-999 ? CA CA E 153 mGLN.D 134 55.40 3.46 9.37 55.83 2.67 9.80 53.03 3.04 9.78 52.18 3.85 10.16 54.08 3.44 8.75 54.06 2.47 7.57 2 0 13.30-999 ?-999 ?-999 ? CA CA E 153 mASN.E -1 34.34 18.68 8.64 34.09 18.82 7.68 35.87 19.35 10.55 37.01 19.24 10.07 34.72 18.47 10.07 35.01 16.99 10.35 2 0 20.24-999 ?-999 ?-999 ? CL CL F 152 mALA.E 0 35.56 20.24 11.50 34.61 20.21 11.78 37.54 20.40 12.94 37.19 19.39 13.56 36.55 21.15 12.07 35.85 22.24 12.88 2 0 18.06-999 ?-999 ?-999 ? CL CL F 152 mMET.E 1 38.77 20.91 12.98 38.89 21.71 12.40 39.58 20.68 15.24 39.30 21.83 15.59 39.84 20.34 13.78 41.19 20.88 13.29 2 0 18.76-999 ?-999 ?-999 ? CL CL F 152 mGLU~E 2 39.64 19.66 16.09 39.80 18.78 15.65 40.85 19.62 18.10 41.44 18.56 17.96 39.47 19.83 17.53 38.45 18.82 18.09 2 0 16.40-999 ?-999 ?-999 ? CL CL F 152 mTHR~E 3 41.37 20.67 18.74 40.74 21.44 18.83 43.03 19.59 20.29 44.07 18.93 20.21 42.74 20.67 19.26 43.12 22.04 19.80 2 0 17.49-999 ?-999 ?-999 ? CL CL F 152 mLEU~E 4 42.11 19.37 21.22 41.29 19.94 21.13 42.39 16.97 21.66 43.19 16.14 22.11 42.31 18.38 22.26 41.20 18.46 23.30 3 0 17.23-999 ?-999 ?-999 ? CA CA E 153 mSER~E 5 41.58 16.72 20.65 40.97 17.49 20.41 42.92 15.15 19.27 43.35 13.99 19.25 41.57 15.45 19.94 40.44 15.43 18.92 2 0 14.07-999 ?-999 ?-999 ? CA CA E 153 mVAL~E 6 43.59 16.17 18.73 43.11 17.05 18.78 45.95 15.66 19.19 46.84 14.84 18.96 44.92 16.00 18.13 45.39 17.26 17.36 3 0 14.15-999 ?-999 ?-999 ? CA CA E 153 mILE~E 7 45.80 16.28 20.36 45.03 16.92 20.37 46.47 14.63 22.00 47.42 13.95 22.36 46.67 16.07 21.50 46.35 17.08 22.64 3 0 14.80-999 ?-999 ?-999 ? CA CA E 153 mHIS~E 8 45.22 14.19 22.00 44.55 14.86 21.69 45.43 11.78 21.51 45.90 10.73 21.97 44.88 12.85 22.44 43.37 12.66 22.60 3 0 11.89-999 ?-999 ?-999 ? CA CA E 153 mTHR~E 9 45.33 12.03 20.22 44.89 12.89 19.99 47.36 10.89 19.46 47.83 9.75 19.49 45.85 11.09 19.24 45.51 11.54 17.81 2 0 9.41-999 ?-999 ?-999 ? CA CA E 153 mVAL~E 10 48.09 11.99 19.66 47.57 12.84 19.58 49.73 11.11 21.24 50.50 10.14 21.26 49.52 11.93 19.96 50.14 13.34 20.08 3 0 11.41-999 ?-999 ?-999 ? CA CA E 153 mALA~E 11 49.00 11.45 22.29 48.40 12.23 22.15 48.82 9.23 23.36 49.64 8.41 23.72 49.09 10.72 23.55 48.14 11.31 24.59 2 0 11.43-999 ?-999 ?-999 ? CA CA E 153 mASN~E 12 47.69 8.88 22.78 47.12 9.65 22.48 48.32 6.68 21.77 48.63 5.54 22.11 47.32 7.50 22.60 45.94 7.42 21.98 2 0 7.83-999 ?-999 ?-999 ? CA CA E 153 mARG~E 13 48.79 7.29 20.68 48.39 8.20 20.52 51.04 6.35 20.62 51.62 5.28 20.46 49.78 6.68 19.80 50.11 7.63 18.64 2 0 7.35-999 ?-999 ?-999 ? CA CA E 153 mLEU~E 14 51.43 7.28 21.50 50.91 8.13 21.47 52.29 5.89 23.38 53.19 5.07 23.58 52.54 7.04 22.41 52.92 8.30 23.18 3 0 9.04-999 ?-999 ?-999 ? CL CL E 152 mARG~E 15 51.10 5.81 23.96 50.47 6.55 23.70 50.75 3.36 24.25 51.17 2.39 24.87 50.77 4.73 24.90 49.44 4.96 25.62 2 0 8.09-999 ?-999 ?-999 ? CL CL E 152 mGLU~E 16 50.24 3.29 23.01 49.93 4.16 22.65 51.54 1.46 21.88 51.72 0.25 21.84 50.17 2.03 22.27 49.33 2.20 21.01 2 0 -7.10-999 ?-999 ?-999 ? CA CA E 153s mLEU~E 17 52.48 2.35 21.57 52.19 3.30 21.64 54.82 1.90 22.33 55.91 1.36 22.19 53.82 1.94 21.17 54.36 2.84 20.04 3 0 6.80-999 ?-999 ?-999 ? CL CL E 152 mASN~E 18 54.44 2.48 23.47 53.51 2.85 23.45 54.57 2.34 25.93 54.38 3.29 26.68 55.33 2.56 24.61 55.97 3.94 24.63 2 0 -3.52-999 ?-999 ?-999 ? CL CL E 152s mPRO.E 19 54.18 1.08 26.23 54.50 0.39 25.58 53.99 1.06 28.78 53.27 1.25 29.75 53.35 0.79 27.41 53.06 -0.71 27.25 3 0 -4.41-999 ?-999 ?-999 ? CL CL E 152s mASP.E 20 55.31 1.08 28.85 55.78 0.93 27.98 56.24 2.80 30.40 56.78 3.15 31.45 55.99 1.31 30.11 57.28 0.46 30.21 2 0 -3.86-999 ?-999 ?-999 ? CL CL E 152s mMET^E 21 55.87 3.67 29.46 55.52 3.25 28.62 54.69 5.60 30.32 53.60 5.08 30.06 55.97 5.10 29.68 56.19 5.88 28.38 2 0 5.40-999 ?-999 ?-999 ? CL CL E 152 mASP^E 22 54.85 6.64 31.14 55.80 6.94 31.18 53.48 8.59 31.16 54.13 9.61 31.37 53.78 7.29 31.91 54.34 7.57 33.31 2 0 9.10-999 ?-999 ?-999 ? CL CL E 152 mILE^E 23 52.48 8.55 30.29 51.96 7.70 30.31 51.08 10.59 29.92 49.98 10.14 30.24 52.18 9.67 29.41 51.98 9.15 27.97 3 0 10.66-999 ?-999 ?-999 ? CL CL E 152 mHIS^E 24 51.40 11.88 30.00 52.32 12.10 29.67 50.26 14.11 29.68 51.08 14.47 28.84 50.47 12.87 30.53 50.91 13.37 31.91 3 0 14.45-999 ?-999 ?-999 ? CL CL E 152 mILE^E 25 49.13 14.74 29.96 48.55 14.24 30.59 48.55 16.78 30.74 47.54 16.62 31.42 48.75 16.03 29.42 47.48 15.94 28.58 3 0 17.74-999 ?-999 ?-999 ? CL CL E 152 mSER.E 26 49.57 17.55 31.12 50.30 17.60 30.44 49.60 19.78 32.30 49.92 20.36 31.25 49.61 18.26 32.40 50.86 17.81 33.17 2 0 19.93-999 ?-999 ?-999 ? CL CL E 152 mSER.E 27 49.23 20.43 33.40 48.97 19.85 34.17 50.53 22.41 34.04 50.74 23.62 34.16 49.22 21.89 33.45 48.03 22.41 34.26 2 0 22.31-999 ?-999 ?-999 ? CL CL F 152 mTHR.E 28 51.40 21.47 34.43 51.08 20.53 34.32 53.71 21.86 33.79 53.66 20.99 32.92 52.72 21.82 34.96 53.21 20.78 35.99 2 0 22.98-999 ?-999 ?-999 ? CL CL E 152 mASP.E 29 54.57 22.88 33.76 54.47 23.53 34.51 56.50 21.80 32.86 57.00 21.49 33.96 55.58 23.00 32.72 56.36 24.31 32.83 2 0 22.94-999 ?-999 ?-999 ? CL CL E 152 mALA.E 30 56.72 21.11 31.74 56.26 21.46 30.93 58.99 20.24 32.20 59.77 19.33 32.46 57.56 19.93 31.75 57.54 19.27 30.41 2 0 19.63-999 ?-999 ?-999 ? CL CL E 152 mLYS.E 31 59.31 21.53 32.35 58.57 22.16 32.11 60.85 21.74 34.31 61.98 21.53 34.76 60.63 21.97 32.81 60.82 23.45 32.49 2 0 22.07-999 ?-999 ?-999 ? CL CL E 152 mVAL.E 32 59.76 21.76 35.08 58.91 21.87 34.58 59.06 20.48 37.16 59.28 20.13 38.32 59.84 21.65 36.54 59.39 22.98 37.22 3 0 23.02-999 ?-999 ?-999 ? CL CL E 152 mTYR.E 33 58.14 19.90 36.38 58.07 20.32 35.47 58.13 17.63 37.41 59.04 17.11 36.77 57.31 18.77 36.81 56.49 18.26 35.63 3 0 20.49-999 ?-999 ?-999 ? CL CL E 152 mILE.E 34 57.79 17.23 38.63 57.04 17.74 39.05 57.72 14.82 39.22 56.66 14.70 39.85 58.51 16.13 39.29 58.88 16.44 40.75 3 0 19.74-999 ?-999 ?-999 ? CL CL E 152 mPRO.E 35 58.23 13.85 38.46 59.08 14.07 37.98 57.67 11.76 39.63 58.60 11.95 40.40 57.56 12.56 38.35 58.35 11.82 37.25 3 0 16.45-999 ?-999 ?-999 ? CL CL E 152 mTHR.E 36 56.67 10.91 39.86 55.93 10.96 39.19 56.65 8.64 40.31 55.98 8.48 39.29 56.69 9.99 40.99 55.50 10.18 41.99 2 0 16.96-999 ?-999 ?-999 ? CL CL E 152 mGLY.E 37 57.38 7.67 40.85 57.86 7.91 41.69 58.71 6.23 39.38 59.47 7.19 39.18 57.45 6.36 40.21-999.99-999.99-999.99 1 0 14.58-999 ?-999 ?-999 ? CL CL E 152 mGLN.E 38 58.94 5.03 38.87 58.22 4.36 39.03 60.03 4.84 36.61 61.03 4.99 35.90 60.17 4.75 38.13 60.73 3.38 38.56 2 0 12.31-999 ?-999 ?-999 ? CL CL E 152 mGLN.E 39 58.79 4.77 36.12 58.08 4.67 36.82 59.03 6.09 34.03 59.21 7.11 34.69 58.52 4.83 34.69 57.01 4.69 34.43 2 0 8.94-999 ?-999 ?-999 ? CL CL E 152 mVAL^E 40 59.31 6.00 32.74 59.22 5.07 32.37 58.47 7.99 31.82 57.41 7.47 31.52 59.73 7.14 31.92 60.15 6.70 30.48 3 0 8.35-999 ?-999 ?-999 ? CL CL E 152 mTHR^E 41 58.59 9.28 32.07 59.52 9.57 32.31 57.53 11.08 30.80 58.59 11.63 30.49 57.44 10.17 32.01 57.35 11.00 33.31 2 0 10.65-999 ?-999 ?-999 ? CL CL E 152 mVAL^E 42 56.41 11.23 30.09 55.64 10.69 30.43 55.17 13.07 29.13 54.06 12.66 29.42 56.33 12.09 28.94 56.14 11.29 27.63 3 0 11.44-999 ?-999 ?-999 ? CL CL E 152 mLEU^E 43 55.46 14.37 29.03 56.43 14.59 28.91 54.14 15.92 27.69 55.07 16.29 26.95 54.41 15.37 29.09 54.71 16.53 30.04 3 0 14.98-999 ?-999 ?-999 ? CL CL E 152 mILE^E 44 52.86 15.94 27.34 52.24 15.59 28.05 51.77 17.80 26.28 51.01 17.99 27.25 52.40 16.42 26.05 51.49 15.38 25.40 3 0 16.35-999 ?-999 ?-999 ? CL CL E 152 mHIS^E 45 52.12 18.74 25.42 52.71 18.43 24.67 51.37 20.79 24.25 52.07 20.60 23.23 51.69 20.12 25.57 52.79 20.89 26.31 3 0 20.10-999 ?-999 ?-999 ? CL CL E 152 mTYR^E 46 50.28 21.54 24.25 49.75 21.51 25.10 50.57 23.69 23.29 50.25 24.44 24.22 49.90 22.33 23.11 48.38 22.44 23.01 3 0 21.78-999 ?-999 ?-999 ? CA CA E 153 mCYH^E 47 51.53 23.96 22.41 51.67 23.24 21.73 51.52 26.39 21.90 51.57 27.49 22.43 52.30 25.20 22.44 53.61 25.03 21.67 2 0 23.98-999 ?-999 ?-999 ? CL CL F 152 mGLY^E 48 50.74 26.15 20.84 50.73 25.20 20.53 49.95 27.04 18.73 50.48 26.05 18.22 50.00 27.23 20.23-999.99-999.99-999.99 1 0 22.10-999 ?-999 ?-999 ? CL CL F 152 mSER^E 49 49.34 28.00 18.02 49.01 28.76 18.58 49.46 29.27 15.91 49.38 30.32 16.55 49.18 27.94 16.58 47.73 27.58 16.22 2 0 22.69-999 ?-999 ?-999 ? CL CL F 152 mVAL^E 50 49.79 29.21 14.62 49.93 28.28 14.28 48.93 30.24 12.62 48.83 29.16 12.02 49.92 30.42 13.79 51.39 30.68 13.30 3 0 24.79-999 ?-999 ?-999 ? CL CL F 152 mPHE^E 51 48.17 31.28 12.33 48.31 32.08 12.92 47.64 32.17 10.13 47.80 33.36 10.36 47.20 31.23 11.24 45.82 31.66 11.70 3 0 24.18-999 ?-999 ?-999 ? CL CL F 152 mALA.E 52 47.82 31.64 8.93 47.67 30.65 8.89 47.00 33.25 7.33 45.86 32.88 7.61 48.22 32.46 7.79 48.75 31.57 6.66 2 0 27.40-999 ?-999 ?-999 ? CL CL F 152 mGLU.E 53 47.24 34.35 6.63 48.21 34.56 6.49 45.36 34.40 5.06 45.90 33.51 4.42 46.15 35.17 6.13 46.70 36.48 5.54 2 0 27.77-999 ?-999 ?-999 ? CL CL F 152 mPRO.E 54 44.05 34.70 4.93 43.67 35.32 5.62 43.94 34.49 2.49 44.13 35.67 2.21 43.28 34.12 3.82 41.93 34.84 3.93 3 0 27.71-999 ?-999 ?-999 ? CL CL F 152 mGLU.E 55 44.30 33.48 1.69 44.05 32.59 2.06 44.25 34.38 -0.75 43.80 33.71 -1.67 44.99 33.67 0.39 45.56 32.35 -0.14 2 0 31.37-999 ?-999 ?-999 ? CL CL F 152 mASN.E 56 44.20 35.71 -0.72 44.67 36.10 0.08 42.14 35.98 -2.17 41.80 35.92 -3.35 43.52 36.52 -1.76 44.41 36.73 -3.00 2 0 33.10-999 ?-999 ?-999 ? CL CL F 152 mTHR.E 57 41.37 35.56 -1.17 41.80 35.67 -0.27 39.06 35.77 -0.52 39.41 36.29 0.55 40.05 35.00 -1.36 39.98 33.52 -0.91 2 0 31.00-999 ?-999 ?-999 ? CL CL F 152 mASP.E 58 37.82 35.84 -1.01 37.71 35.40 -1.90 35.93 35.53 0.58 34.70 35.52 0.60 36.72 36.51 -0.30 35.82 37.30 -1.28 2 0 29.36-999 ?-999 ?-999 ? CL CL F 152 mALA.E 59 36.68 34.69 1.28 37.66 34.81 1.11 37.23 33.60 3.29 38.40 33.48 2.96 36.17 33.70 2.21 36.01 32.35 1.51 2 0 26.19-999 ?-999 ?-999 ? CL CL F 152 mTHR.E 60 36.84 33.69 4.56 35.86 33.83 4.70 38.14 32.12 5.85 37.41 31.39 6.53 37.82 33.59 5.63 37.37 34.29 6.95 2 0 23.55-999 ?-999 ?-999 ? CL CL F 152 mVAL^E 61 39.23 31.68 5.22 39.67 32.39 4.67 41.21 30.52 5.57 41.89 31.23 4.82 39.73 30.32 5.29 39.49 29.56 3.97 3 0 24.15-999 ?-999 ?-999 ? CL CL F 152 mGLN^E 62 41.72 29.93 6.66 41.09 29.33 7.14 43.92 28.98 7.40 43.49 28.15 8.20 43.11 30.20 7.06 43.15 31.16 8.26 2 0 24.38-999 ?-999 ?-999 ? CL CL F 152 mLYS^E 63 45.12 28.90 6.82 45.33 29.65 6.20 46.53 27.89 8.51 46.96 28.96 8.93 46.01 27.77 7.08 47.18 27.68 6.10 2 0 26.09-999 ?-999 ?-999 ? CL CL F 152 mGLN^E 64 46.44 26.78 9.24 46.09 25.99 8.74 47.96 25.76 10.86 47.88 24.60 10.44 46.82 26.74 10.64 45.62 26.33 11.49 2 0 24.16-999 ?-999 ?-999 ? CL CL F 152 mLEU^E 65 49.02 26.26 11.48 48.95 27.24 11.70 50.17 25.35 13.34 50.30 26.33 14.07 50.18 25.48 11.83 51.46 26.14 11.30 3 0 25.03-999 ?-999 ?-999 ? CA CA E 153 mILE^E 66 49.97 24.12 13.80 49.90 23.46 13.06 51.17 23.26 15.81 51.80 22.39 15.25 49.86 23.75 15.22 48.86 22.59 15.32 3 0 22.68-999 ?-999 ?-999 ? CA CA E 153 mARG^E 67 51.58 23.83 16.95 51.00 24.57 17.29 52.48 22.56 18.84 51.64 22.94 19.65 52.81 23.37 17.60 53.78 24.52 17.92 2 0 23.04-999 ?-999 ?-999 ? CA CA E 153 mILE^E 68 53.15 21.41 18.96 53.80 21.27 18.22 54.31 19.91 20.53 55.14 19.53 19.71 52.95 20.47 20.05 52.06 19.28 19.57 3 0 20.52-999 ?-999 ?-999 ? CA CA E 153 mSER^E 69 54.52 19.89 21.84 53.78 20.27 22.40 55.49 18.04 23.17 54.43 17.87 23.80 55.75 19.33 22.38 56.45 20.33 23.29 2 0 18.95-999 ?-999 ?-999 ? CL CL E 152 mALA^E 70 56.47 17.15 23.14 57.21 17.39 22.51 57.76 15.96 24.71 58.84 15.94 24.12 56.44 15.92 23.93 56.32 14.66 23.05 2 0 15.26-999 ?-999 ?-999 ? CL CL E 152 mTHR^E 71 57.68 16.02 26.03 56.75 15.97 26.40 59.16 14.93 27.68 58.33 14.52 28.51 58.88 16.15 26.83 58.84 17.42 27.70 2 0 15.23-999 ?-999 ?-999 ? CL CL E 152 mVAL^E 72 60.33 14.34 27.46 60.85 14.75 26.71 61.38 13.69 29.58 62.12 14.68 29.60 60.78 13.19 28.24 61.81 12.37 27.43 3 0 12.71-999 ?-999 ?-999 ? CL CL E 152 mILE^E 73 61.03 13.03 30.68 60.40 12.27 30.49 62.02 12.11 32.72 61.23 11.30 33.20 61.51 13.38 32.03 60.39 14.04 32.90 3 0 14.05-999 ?-999 ?-999 ? CL CL E 152 mVAL^E 74 63.35 11.96 32.78 63.85 12.75 32.43 65.25 11.10 34.13 66.00 11.99 33.76 64.01 10.75 33.29 64.60 9.87 32.11 3 0 13.39-999 ?-999 ?-999 ? CL CL E 152 mPRO.E 75 65.49 10.37 35.24 64.79 9.68 35.45 68.07 10.55 35.29 68.87 11.48 35.45 66.70 10.61 36.04 66.64 9.52 37.13 3 0 16.18-999 ?-999 ?-999 ? CL CL E 152 mGLN~E 76 68.31 9.51 34.48 67.55 8.86 34.42 69.58 9.94 32.38 68.61 9.77 31.64 69.60 9.35 33.77 69.99 7.88 33.60 2 0 16.19-999 ?-999 ?-999 ? CL CL E 152 mILE~E 77 70.70 10.57 32.00 71.42 10.57 32.70 70.70 10.21 29.52 70.03 10.52 28.53 70.86 11.20 30.70 72.20 12.03 30.61 3 0 17.15-999 ?-999 ?-999 ? CL CL E 152 mSER~E 78 71.27 9.02 29.66 71.74 8.88 30.53 69.79 7.46 28.42 69.39 7.13 27.29 71.20 8.02 28.60 72.22 6.91 28.83 2 0 15.36-999 ?-999 ?-999 ? CL CL E 152 mASP~E 79 69.05 7.34 29.52 69.50 7.60 30.38 66.76 7.89 28.77 65.90 7.52 27.99 67.68 6.86 29.44 67.15 6.45 30.81 2 0 11.92-999 ?-999 ?-999 ? CL CL E 152 mALA~E 80 66.99 9.16 29.05 67.71 9.30 29.73 66.47 10.31 26.92 65.53 10.52 26.15 66.24 10.26 28.44 66.64 11.58 29.08 2 0 12.74-999 ?-999 ?-999 ? CL CL E 152 mILE~E 81 67.72 10.12 26.52 68.36 9.96 27.27 67.51 8.97 24.35 67.03 9.15 23.22 68.12 10.13 25.12 69.66 10.18 25.01 3 0 13.96-999 ?-999 ?-999 ? CL CL E 152 mASN~E 82 67.52 7.78 24.95 67.99 7.77 25.84 65.38 6.82 24.25 64.76 6.40 23.28 66.89 6.60 24.37 67.16 5.36 25.23 2 0 11.03-999 ?-999 ?-999 ? CL CL E 152 mALA~E 83 64.78 7.47 25.23 65.38 7.78 25.97 62.93 8.75 24.16 61.80 8.75 23.66 63.32 7.70 25.20 62.79 8.09 26.56 2 0 8.90-999 ?-999 ?-999 ? CL CL E 152 mLEU~E 84 63.86 9.64 23.86 64.72 9.53 24.37 63.60 9.99 21.51 62.75 10.32 20.67 63.66 10.68 22.88 64.80 11.69 22.97 3 0 12.01-999 ?-999 ?-999 ? CL CL E 152 mASP~E 85 64.46 8.99 21.31 65.10 8.85 22.07 63.15 7.44 19.93 62.62 7.34 18.83 64.47 8.19 20.09 65.65 7.20 20.08 2 0 11.89-999 ?-999 ?-999 ? CL CL E 152 mARG~E 86 62.62 6.92 21.04 63.16 7.07 21.87 60.18 7.13 20.68 59.27 6.72 19.98 61.34 6.20 21.03 61.08 5.44 22.35 2 0 8.52-999 ?-999 ?-999 ? CL CL E 152 mLEU~E 87 60.21 8.37 21.18 60.98 8.54 21.79 59.18 9.67 19.34 58.14 9.59 18.68 59.19 9.37 20.83 59.42 10.70 21.56 3 0 10.34-999 ?-999 ?-999 ? CL CL E 152 mARG~E 88 60.33 10.04 18.82 61.07 10.10 19.49 60.09 9.18 16.47 59.39 9.39 15.47 60.50 10.33 17.39 61.92 10.89 17.14 2 0 13.48-999 ?-999 ?-999 ? CL CL E 152 mARG~E 89 60.47 7.95 16.82 61.01 7.91 17.65 58.58 6.48 16.09 57.96 6.01 15.13 60.09 6.79 16.00 60.92 5.57 16.39 2 0 12.39-999 ?-999 ?-999 ? CL CL E 152 mSER~E 90 57.98 6.78 17.24 58.59 7.15 17.94 55.71 7.66 16.76 54.66 7.36 16.17 56.56 6.59 17.44 56.23 6.57 18.93 2 0 10.87-999 ?-999 ?-999 ? CL CL E 152 mLEU~E 91 56.17 8.91 16.84 57.09 8.98 17.23 55.56 10.61 14.97 54.59 11.10 14.38 55.38 10.06 16.38 55.49 11.20 17.39 3 0 13.66-999 ?-999 ?-999 ? CA CA E 153 mGLY~E 92 56.78 10.57 14.44 57.48 10.15 15.02 56.17 10.51 12.01 56.11 9.28 11.84 57.03 11.10 13.11-999.99-999.99-999.99 1 0 16.25-999 ?-999 ?-999 ? CA CA E 153 mGLY.E 93 55.49 11.38 11.27 55.59 12.33 11.56 53.32 10.26 10.33 52.76 9.71 9.36 54.66 10.96 10.13-999.99-999.99-999.99 1 0 15.66-999 ?-999 ?-999 ? CA CA E 153 mILE.E 94 52.80 10.25 11.56 53.36 10.70 12.25 50.40 10.55 11.41 50.62 11.77 11.37 51.51 9.60 11.82 51.27 9.26 13.32 3 0 12.05-999 ?-999 ?-999 ? CA CA E 153 mGLU.E 95 49.23 10.01 11.10 49.21 9.01 11.16 47.41 11.41 11.95 47.45 10.83 13.04 48.10 10.83 10.71 47.10 10.05 9.84 2 0 12.03-999 ?-999 ?-999 ? CA CA E 153 mLEU.E 96 46.79 12.56 11.77 46.86 12.92 10.84 44.65 13.54 12.33 44.46 13.81 11.14 46.07 13.24 12.83 46.79 14.54 13.22 3 0 12.55-999 ?-999 ?-999 ? CA CA E 153 mPRO.E 97 43.65 13.47 13.23 43.91 13.23 14.17 42.05 15.17 12.33 42.40 16.13 13.02 42.28 13.73 12.82 41.48 13.45 14.11 3 0 13.12-999 ?-999 ?-999 ? CA CA E 153 mASP.E 98 41.47 15.30 11.14 41.29 14.42 10.70 42.32 17.48 10.20 42.22 18.70 10.14 41.12 16.59 10.53 40.11 17.33 11.40 2 0 16.84-999 ?-999 ?-999 ? CA CA E 153 mCYH.E 99 43.47 16.85 10.01 43.43 15.86 10.17 44.96 17.24 8.16 44.63 16.15 7.67 44.69 17.54 9.63 45.84 17.13 10.52 2 0 17.74-999 ?-999 ?-999 ? CA CA E 153 mASP.E 100 45.53 18.20 7.45 45.79 19.01 7.97 47.06 17.35 5.57 47.31 17.21 4.37 45.75 18.03 6.01 45.48 19.34 5.27 2 0 20.12-999 ?-999 ?-999 ? CA CA E 153 mARG.E 101 47.88 16.94 6.53 47.55 17.16 7.45 49.55 15.47 7.52 48.94 15.64 8.56 49.13 16.23 6.26 50.24 17.20 5.86 2 0 19.06-999 ?-999 ?-999 ? CA CA E 153 mPRO.E 102 50.58 14.61 7.41 50.99 14.52 6.50 51.72 14.77 9.61 52.00 15.94 9.33 51.04 13.87 8.60 52.10 12.90 8.03 3 0 16.52-999 ?-999 ?-999 ? CA CA E 153 mLEU.E 103 51.97 14.22 10.79 51.63 13.29 10.89 54.15 15.03 11.43 54.76 14.04 11.01 52.68 14.93 11.84 52.52 14.17 13.16 3 0 16.54-999 ?-999 ?-999 ? CA CA E 153 mTRP^E 104 54.70 16.24 11.51 54.08 16.96 11.81 56.96 16.81 12.41 56.55 17.57 13.29 56.10 16.47 11.19 56.27 17.62 10.19 3 0 19.79-999 ?-999 ?-999 ? CA CA E 153 mLEU^E 105 58.17 16.26 12.47 58.37 15.62 11.73 59.63 18.01 13.22 59.81 18.34 12.04 59.08 16.62 13.55 60.21 15.59 13.66 3 0 20.47-999 ?-999 ?-999 ? CL CL E 152 mGLU^E 106 59.86 18.83 14.25 59.64 18.44 15.14 61.79 20.30 14.63 62.73 20.69 13.94 60.39 20.20 14.05 59.47 21.27 14.67 2 0 23.16-999 ?-999 ?-999 ? CL CL E 152 mSER^E 107 61.91 19.93 15.90 61.05 19.64 16.33 63.17 19.17 17.90 62.13 18.69 18.35 63.19 19.97 16.60 63.58 21.43 16.91 2 0 22.20-999 ?-999 ?-999 ? CL CL E 152 mGLU^E 108 64.36 19.00 18.46 65.11 19.34 17.90 65.45 19.36 20.50 66.38 19.93 19.93 64.57 18.38 19.77 65.28 17.03 19.67 2 0 19.95-999 ?-999 ?-999 ? CL CL E 152 mLYS^E 109 65.14 19.55 21.78 64.37 19.00 22.10 66.05 19.94 23.99 65.13 19.31 24.55 65.86 20.49 22.62 65.07 21.79 22.78 2 0 21.54-999 ?-999 ?-999 ? CL CL E 152 mTYR^E 110 67.24 20.19 24.53 67.91 20.58 23.90 66.78 20.94 26.74 66.80 22.13 26.41 67.54 19.90 25.92 69.04 20.00 26.21 3 0 21.35-999 ?-999 ?-999 ? CL CL E 152 mILE^E 111 66.11 20.49 27.80 66.23 19.52 27.97 65.93 21.82 29.93 65.92 23.01 30.29 65.27 21.39 28.62 63.85 20.77 28.86 3 0 21.87-999 ?-999 ?-999 ? CL CL E 152 mGLY^E 112 66.50 20.85 30.64 66.45 19.94 30.22 67.28 19.85 32.74 67.00 18.76 32.27 67.15 21.11 31.92-999.99-999.99-999.99 1 0 22.86-999 ?-999 ?-999 ? CL CL E 152 mASP~E 113 67.72 20.01 33.97 67.91 20.97 34.22 67.31 19.13 36.26 67.79 18.59 37.27 67.92 18.89 34.87 69.42 18.60 35.00 2 0 22.20-999 ?-999 ?-999 ? CL CL E 152 mALA~E 114 66.26 19.94 36.32 65.94 20.29 35.44 65.19 19.05 38.37 64.66 18.08 37.79 65.63 20.28 37.58 64.46 21.22 37.37 2 0 23.56-999 ?-999 ?-999 ? CL CL E 152 mALA~E 115 65.44 19.11 39.68 65.92 19.95 39.95 65.66 16.72 40.33 65.08 15.69 40.69 65.06 18.09 40.65 63.52 18.01 40.78 2 0 23.29-999 ?-999 ?-999 ? CL CL E 152 mASN~E 116 66.83 16.75 39.68 67.14 17.68 39.49 66.89 14.69 38.24 67.04 13.46 38.23 67.59 15.56 39.27 68.06 14.74 40.47 2 0 21.67-999 ?-999 ?-999 ? CL CL E 152 mPHE~E 117 66.11 15.32 37.38 66.02 16.30 37.55 65.89 15.30 35.00 65.76 16.51 34.83 65.43 14.63 36.28 63.90 14.70 36.40 3 0 18.41-999 ?-999 ?-999 ? CL CL E 152 mCYH^E 118 66.46 14.50 34.13 66.52 13.54 34.41 65.78 15.14 31.94 64.93 14.24 31.85 66.96 14.98 32.87 67.99 14.01 32.33 2 0 17.91-999 ?-999 ?-999 ? CL CL E 152 mARG^E 119 65.72 16.28 31.25 66.53 16.86 31.35 64.91 17.02 29.00 65.77 17.87 28.76 64.57 16.62 30.43 63.82 17.76 31.13 2 0 17.51-999 ?-999 ?-999 ? CL CL E 152 mTYR^E 120 64.25 16.37 28.04 63.64 15.67 28.40 63.06 16.75 25.96 62.21 15.91 26.21 64.41 16.67 26.62 65.21 15.59 25.89 3 0 17.08-999 ?-999 ?-999 ? CL CL E 152 mALA^E 121 62.88 17.72 25.07 63.68 18.30 24.92 61.69 17.64 22.90 62.66 18.04 22.26 61.61 17.90 24.40 61.08 19.31 24.64 2 0 17.52-999 ?-999 ?-999 ? CL CL E 152 mLEU^E 122 60.67 16.99 22.35 60.03 16.60 23.01 59.38 17.80 20.52 58.26 17.67 21.03 60.52 16.87 20.92 60.18 15.44 20.52 3 0 17.14-999 ?-999 ?-999 ? CL CL E 152 mASP^E 123 59.66 18.77 19.66 60.62 18.79 19.38 58.20 19.27 17.79 59.01 18.96 16.93 58.67 19.73 19.16 59.25 21.15 19.08 2 0 20.23-999 ?-999 ?-999 ? CL CL E 152 mMET^E 124 56.90 19.27 17.59 56.37 19.65 18.35 55.24 19.70 15.82 54.73 20.56 16.55 56.29 18.76 16.36 55.61 17.43 16.66 2 0 20.62-999 ?-999 ?-999 ? CL CL E 152 mTHR^E 125 54.91 19.54 14.54 55.41 18.83 14.06 52.84 19.57 13.16 53.16 18.59 12.47 53.88 20.37 13.94 54.43 21.50 13.01 2 0 21.10-999 ?-999 ?-999 ? CA CA E 153 mALA^E 126 51.60 20.00 13.31 51.52 20.74 13.98 50.00 20.63 11.76 50.32 21.79 12.05 50.48 19.47 12.59 49.40 19.04 13.54 2 0 19.32-999 ?-999 ?-999 ? CA CA E 153 mSER^E 127 49.23 20.33 10.72 49.04 19.36 10.59 47.25 21.14 9.57 46.83 20.01 9.34 48.71 21.39 9.87 49.53 21.49 8.59 2 0 21.52-999 ?-999 ?-999 ? CA CA E 153 mTHR^E 128 46.46 22.20 9.61 46.91 23.06 9.87 44.55 23.37 8.68 45.27 24.37 8.61 45.06 22.08 9.31 44.20 21.69 10.54 2 0 21.99-999 ?-999 ?-999 ? CA CA E 153 mLEU^E 129 43.31 23.33 8.22 42.85 22.45 8.38 41.47 24.93 8.39 40.49 24.19 8.57 42.66 24.44 7.55 42.17 23.96 6.19 3 0 23.95-999 ?-999 ?-999 ? CL CL F 152 mPHE^E 130 41.56 26.15 8.93 42.42 26.62 8.75 39.46 27.34 8.74 39.83 28.15 7.91 40.45 26.70 9.70 40.93 27.71 10.77 3 0 20.68-999 ?-999 ?-999 ? CL CL F 152 mILE^E 131 38.19 26.96 8.89 38.05 26.30 9.63 36.12 28.15 8.92 35.54 27.53 9.81 37.11 27.45 8.03 36.38 26.28 7.29 3 0 20.49-999 ?-999 ?-999 ? CL CL F 152 mALA.E 132 35.93 29.44 8.67 36.48 29.79 7.91 33.54 29.95 9.15 33.20 29.58 8.02 35.01 30.27 9.44 35.28 31.76 9.19 2 0 18.49-999 ?-999 ?-999 ? CL CL F 152 mGLU.E 133 32.69 30.11 10.16 33.11 30.36 11.03 30.65 31.11 9.23 31.10 32.25 9.38 31.25 29.93 9.98 30.51 29.76 11.32 2 0 17.05-999 ?-999 ?-999 ? CL CL F 152 mGLN.E 134 29.62 30.84 8.42 29.39 29.87 8.37 27.77 32.46 8.54 27.93 32.68 9.74 28.92 31.90 7.70 28.38 31.39 6.36 2 0 19.43-999 ?-999 ?-999 ? CL CL F 152 mASN.F -1 31.95 57.40 8.16 31.89 57.76 7.23 33.36 56.20 9.92 33.71 55.13 9.42 32.04 56.85 9.55 30.88 55.89 9.85 2 0 20.53-999 ?-999 ?-999 ? CL CL A 152 mALA.F 0 34.08 56.86 10.82 33.67 57.72 11.13 35.12 55.30 12.37 34.12 55.33 13.10 35.34 56.37 11.30 36.17 57.50 11.84 2 0 18.70-999 ?-999 ?-999 ? CL CL A 152 mMET.F 1 36.06 54.37 12.47 36.82 54.48 11.83 36.11 53.80 14.88 36.87 54.71 15.17 35.99 53.31 13.44 37.09 52.28 13.19 2 0 19.13-999 ?-999 ?-999 ? CL CL A 152 mGLU~F 2 35.33 53.19 15.76 34.68 52.55 15.35 36.00 52.14 17.72 35.38 51.08 17.62 35.40 53.44 17.17 34.01 53.71 17.74 2 0 16.86-999 ?-999 ?-999 ? CL CL A 152 mTHR~F 3 37.22 52.22 18.24 37.59 53.15 18.27 37.11 50.27 19.76 36.99 49.04 19.68 37.93 51.04 18.73 39.29 51.40 19.33 2 0 18.07-999 ?-999 ?-999 ? CL CL A 152 mLEU~F 4 36.53 50.99 20.72 36.67 51.98 20.66 34.59 49.51 21.16 34.31 48.39 21.64 35.75 50.33 21.76 35.28 51.35 22.80 3 0 17.88-999 ?-999 ?-999 ? CL CL A 152 mSER~F 5 33.95 50.03 20.11 34.28 50.94 19.85 33.35 47.95 18.89 32.61 46.97 18.93 32.88 49.31 19.41 32.30 50.13 18.25 2 0 20.04-999 ?-999 ?-999 ? CL CL A 152 mVAL~F 6 34.57 47.91 18.37 35.05 48.79 18.38 35.32 45.66 18.98 35.01 44.49 18.82 35.15 46.68 17.85 36.47 46.95 17.08 3 0 21.06-999 ?-999 ?-999 ? CA CA F 153 mILE~F 7 35.79 46.14 20.12 36.01 47.12 20.08 34.58 44.85 21.85 34.43 43.68 22.25 35.96 45.31 21.33 36.70 46.10 22.45 3 0 18.55-999 ?-999 ?-999 ? CA CA F 153 mHIS~F 8 33.60 45.75 21.87 33.87 46.66 21.57 31.63 44.33 21.41 31.04 43.37 21.89 32.24 45.40 22.31 31.29 46.60 22.40 3 0 16.25-999 ?-999 ?-999 ? CA CA F 153 mTHR~F 9 31.81 44.49 20.09 32.30 45.32 19.85 31.89 42.11 19.35 31.13 41.15 19.40 31.31 43.52 19.11 31.57 43.99 17.68 2 0 16.74-999 ?-999 ?-999 ? CA CA F 153 mVAL~F 10 33.21 42.01 19.52 33.68 42.88 19.40 33.32 40.15 21.18 32.94 38.99 21.24 33.88 40.74 19.85 35.43 40.92 19.90 3 0 15.08-999 ?-999 ?-999 ? CL CL F 152 mALA~F 11 33.24 40.98 22.22 33.58 41.90 22.04 31.23 40.13 23.44 30.85 39.09 23.99 32.69 40.56 23.52 32.83 41.67 24.57 2 0 12.63-999 ?-999 ?-999 ? CA CA F 153 mASN~F 12 30.40 40.90 22.75 30.82 41.71 22.33 28.76 39.28 21.86 27.92 38.46 22.23 29.00 40.57 22.65 28.20 41.71 22.01 2 0 11.64-999 ?-999 ?-999 ? CA CA F 153 mARG~F 13 29.52 39.11 20.78 30.15 39.87 20.61 29.75 36.72 20.80 29.04 35.72 20.76 29.43 37.93 19.93 30.40 38.07 18.74 2 0 11.83-999 ?-999 ?-999 ? CL CL F 152 mLEU~F 14 30.81 36.83 21.59 31.31 37.69 21.50 30.17 35.42 23.56 29.97 34.23 23.84 31.21 35.78 22.52 32.53 36.10 23.20 3 0 8.91-999 ?-999 ?-999 ? CL CL F 152 mARG~F 15 29.53 36.42 24.15 29.82 37.33 23.84 27.30 35.44 24.59 26.85 34.45 25.17 28.50 36.17 25.16 28.04 37.45 25.87 2 0 7.29-999 ?-999 ?-999 ? CA CA F 153 mGLU~F 16 26.79 35.94 23.47 27.27 36.75 23.13 25.80 33.90 22.38 24.86 33.12 22.48 25.62 35.35 22.79 25.24 36.13 21.55 2 0 -8.73-999 ?-999 ?-999 ? CA CA F 153s mLEU~F 17 26.99 33.56 21.88 27.65 34.30 21.83 27.78 31.30 22.57 27.80 30.09 22.43 27.25 32.19 21.44 28.21 32.15 20.24 3 0 6.82-999 ?-999 ?-999 ? CL CL F 152 mASN~F 18 28.22 31.90 23.67 28.16 32.90 23.65 28.16 31.59 26.14 28.89 32.12 26.97 28.75 31.13 24.80 30.27 31.25 24.86 2 0 -3.46-999 ?-999 ?-999 ? CL CL F 152s mPRO.F 19 26.86 31.34 26.38 26.39 30.81 25.68 26.85 31.38 28.92 26.70 32.04 29.94 26.22 31.85 27.60 24.78 31.35 27.48 3 0 4.19-999 ?-999 ?-999 ? CA CA F 153s mASP.F 20 27.54 30.24 28.90 27.58 29.79 28.01 29.56 30.38 30.37 30.19 30.08 31.38 28.19 29.72 30.10 28.35 28.19 30.04 2 0 -3.67-999 ?-999 ?-999 ? CL CL F 152s mMET^F 21 30.02 31.24 29.48 29.43 31.37 28.68 31.12 33.25 30.45 30.07 33.89 30.38 31.30 31.92 29.70 32.08 32.16 28.39 2 0 5.22-999 ?-999 ?-999 ? CL CL F 152 mASP^F 22 32.17 33.63 31.19 32.92 32.97 31.18 33.19 35.79 31.17 34.40 35.71 31.35 32.21 34.88 31.94 32.68 34.60 33.38 2 0 6.76-999 ?-999 ?-999 ? CA CA F 153 mILE^F 23 32.64 36.67 30.34 31.64 36.69 30.37 33.67 38.95 29.92 32.71 39.68 30.15 33.45 37.51 29.45 32.88 37.45 28.03 3 0 8.96-999 ?-999 ?-999 ? CA CA F 153 mHIS^F 24 34.93 39.33 30.07 35.61 38.64 29.82 36.17 41.46 29.62 36.87 40.91 28.79 35.28 40.66 30.56 36.08 40.57 31.86 3 0 11.99-999 ?-999 ?-999 ? CA CA F 153 mILE.F 25 36.12 42.77 29.81 35.40 43.05 30.45 37.62 44.37 30.42 37.10 45.34 30.97 37.00 43.72 29.17 36.24 44.72 28.29 3 0 15.38-999 ?-999 ?-999 ? CA CA F 153 mSER.F 26 38.71 43.77 30.88 39.05 43.03 30.30 40.61 45.03 31.97 41.26 45.03 30.91 39.35 44.18 32.13 39.67 42.94 32.96 2 0 17.35-999 ?-999 ?-999 ? CA CA F 153 mSER.F 27 40.94 45.74 33.04 40.29 45.67 33.80 43.28 45.69 33.71 44.41 46.17 33.89 42.16 46.54 33.10 41.94 47.83 33.91 2 0 21.07-999 ?-999 ?-999 ? CA CA F 153 mTHR.F 28 42.96 44.43 34.00 42.02 44.19 33.79 44.45 42.57 33.49 43.68 42.11 32.66 43.92 43.48 34.58 43.28 42.65 35.72 2 0 21.06-999 ?-999 ?-999 ? CA CA F 153 mASP.F 29 45.75 42.33 33.49 46.25 42.79 34.23 45.90 40.02 32.67 45.81 39.50 33.79 46.40 41.46 32.51 47.91 41.50 32.70 2 0 22.25-999 ?-999 ?-999 ? CA CA F 153 mALA.F 30 45.58 39.39 31.54 45.72 39.93 30.71 46.08 36.99 32.04 45.72 35.85 32.34 45.07 38.02 31.55 44.54 37.65 30.20 2 0 19.44-999 ?-999 ?-999 ? CL CL F 152 mLYS.F 31 47.34 37.40 32.15 47.51 38.34 31.87 48.23 36.31 34.19 48.54 35.24 34.72 48.37 36.51 32.66 49.76 37.02 32.27 2 0 21.91-999 ?-999 ?-999 ? CL CL F 152 mVAL.F 32 47.74 37.33 34.89 47.47 38.12 34.33 46.18 37.16 36.92 45.99 36.57 37.98 47.61 37.26 36.36 48.39 38.42 37.07 3 0 22.83-999 ?-999 ?-999 ? CL CL F 152 mTYR.F 33 45.21 37.72 36.21 45.53 38.12 35.35 43.34 36.43 37.31 43.49 35.35 36.76 43.80 37.73 36.64 42.88 38.04 35.44 3 0 19.39-999 ?-999 ?-999 ? CA CA F 153 mILE.F 34 42.78 36.55 38.51 42.75 37.49 38.86 40.74 35.47 39.21 40.16 36.36 39.83 42.26 35.39 39.23 42.77 35.33 40.68 3 0 18.52-999 ?-999 ?-999 ? CA CA F 153 mPRO.F 35 40.09 34.55 38.47 40.69 33.90 38.01 37.90 34.24 39.68 38.37 33.43 40.49 38.63 34.53 38.37 38.36 33.40 37.37 3 0 14.83-999 ?-999 ?-999 ? CA CA F 153 mTHR.F 36 36.78 34.92 39.87 36.58 35.59 39.15 34.68 33.98 40.53 33.63 34.58 40.28 35.93 34.71 41.03 35.58 36.03 41.76 2 0 14.20-999 ?-999 ?-999 ? CA CA F 153 mGLY.F 37 34.84 32.67 40.36 35.75 32.33 40.61 34.34 30.51 39.31 35.56 30.30 39.29 33.78 31.81 39.85-999.99-999.99-999.99 1 0 11.94-999 ?-999 ?-999 ? CA CA F 153 mGLN.F 38 33.45 29.64 38.85 32.51 29.96 38.87 33.79 28.23 36.84 34.41 27.36 36.24 33.86 28.32 38.37 32.99 27.25 39.04 2 0 12.07-999 ?-999 ?-999 ? CA CA F 153 mGLN.F 39 33.05 29.17 36.23 32.64 29.82 36.87 34.17 29.41 33.98 35.26 29.57 34.54 32.87 29.23 34.78 31.98 30.43 34.41 2 0 8.96-999 ?-999 ?-999 ? CL CL F 152 mVAL^F 40 34.03 29.36 32.65 33.11 29.11 32.33 35.21 31.17 31.70 34.22 31.83 31.38 35.14 29.65 31.76 34.91 29.05 30.35 3 0 8.07-999 ?-999 ?-999 ? CL CL F 152 mTHR^F 41 36.36 31.73 32.05 37.07 31.08 32.33 37.35 33.57 30.80 38.35 32.92 30.46 36.55 33.16 32.04 37.24 33.64 33.32 2 0 10.45-999 ?-999 ?-999 ? CL CL F 152 mVAL^F 42 36.88 34.61 30.12 36.04 35.01 30.49 37.75 36.63 29.05 36.78 37.39 29.23 37.56 35.12 28.94 36.81 34.74 27.63 3 0 11.21-999 ?-999 ?-999 ? CL CL F 152 mLEU^F 43 39.00 37.07 28.99 39.70 36.35 28.92 39.63 39.03 27.66 40.52 38.47 26.98 39.29 38.51 29.04 40.43 38.85 30.01 3 0 14.72-999 ?-999 ?-999 ? CA CA F 153 mILE^F 44 38.92 40.07 27.23 38.23 40.38 27.88 40.05 41.87 26.10 39.87 42.63 27.05 39.14 40.68 25.91 37.81 41.14 25.25 3 0 16.07-999 ?-999 ?-999 ? CL CL F 152 mHIS^F 45 41.02 42.04 25.20 41.00 41.39 24.45 42.42 43.72 24.00 42.60 43.02 23.01 42.01 43.12 25.34 43.22 42.58 26.13 3 0 19.82-999 ?-999 ?-999 ? CL CL F 152 mTYR^F 46 42.52 45.05 23.98 42.26 45.50 24.83 44.47 45.91 22.93 44.94 46.67 23.76 42.97 45.76 22.79 42.26 47.10 22.64 3 0 22.63-999 ?-999 ?-999 ? CL CL A 152 mCYH^F 47 45.23 45.16 22.13 44.72 44.60 21.48 47.29 46.46 21.66 48.17 47.06 22.26 46.69 45.19 22.24 47.31 43.97 21.56 2 0 24.35-999 ?-999 ?-999 ? CL CL A 152 mGLY^F 48 46.80 46.87 20.49 46.07 46.29 20.12 47.12 48.07 18.33 46.41 47.23 17.78 47.31 48.06 19.84-999.99-999.99-999.99 1 0 22.55-999 ?-999 ?-999 ? CL CL A 152 mSER^F 49 47.76 49.02 17.67 48.32 49.62 18.25 48.94 49.58 15.62 49.82 50.11 16.29 47.63 49.16 16.24 46.59 50.21 15.85 2 0 23.04-999 ?-999 ?-999 ? CL CL A 152 mVAL^F 50 49.05 49.30 14.33 48.27 48.78 13.97 49.50 50.42 12.33 48.46 49.96 11.85 50.17 49.71 13.52 51.01 48.49 13.03 3 0 25.06-999 ?-999 ?-999 ? CL CL A 152 mPHE^F 51 50.06 51.55 11.92 50.85 51.84 12.46 50.61 52.31 9.70 51.77 52.65 9.95 49.56 52.31 10.78 49.28 53.76 11.16 3 0 24.56-999 ?-999 ?-999 ? CL CL A 152 mALA.F 52 50.22 51.94 8.48 49.26 51.66 8.41 51.28 53.43 6.96 50.41 54.24 7.31 51.16 51.97 7.36 50.64 51.14 6.19 2 0 27.75-999 ?-999 ?-999 ? CL CL A 152 mGLU.F 53 52.34 53.78 6.25 52.98 53.03 6.08 51.50 55.44 4.68 51.01 54.52 4.01 52.53 55.14 5.76 53.93 55.29 5.14 2 0 26.01-999 ?-999 ?-999 ? CA CA A 153 mPRO.F 54 51.13 56.72 4.51 51.44 57.38 5.20 51.02 56.59 2.09 52.26 56.68 2.02 50.29 57.04 3.36 50.19 58.57 3.43 3 0 27.69-999 ?-999 ?-999 ? CA CA A 153 mGLU.F 55 50.29 56.09 1.10 49.30 56.14 1.26 51.21 56.47 -1.27 50.68 56.30 -2.37 50.90 55.51 -0.11 50.06 54.32 -0.60 2 0 26.99-999 ?-999 ?-999 ? CA CA A 153 mASN.F 56 52.11 57.43 -1.01 52.46 57.37 -0.08 51.40 59.38 -2.36 51.32 59.86 -3.50 52.54 58.46 -1.98 53.15 57.86 -3.26 2 0 -25.35-999 ?-999 ?-999 ? CA CA A 153s mTHR.F 57 50.50 59.64 -1.42 50.69 59.21 -0.53 49.47 61.79 -0.94 50.08 61.84 0.14 49.35 60.48 -1.68 48.04 59.78 -1.27 2 0 28.63-999 ?-999 ?-999 ? CA CA A 153 mASP.F 58 48.89 62.85 -1.52 48.49 62.64 -2.42 48.10 64.18 0.42 48.48 64.88 1.36 48.85 64.18 -0.91 48.20 65.20 -1.86 2 0 29.35-999 ?-999 ?-999 ? CL CL A 152 mALA.F 59 47.03 63.37 0.49 46.85 62.87 -0.36 46.82 62.27 2.67 47.46 61.29 2.28 46.21 63.24 1.69 44.80 62.79 1.33 2 0 26.14-999 ?-999 ?-999 ? CL CL A 152 mTHR.F 60 46.62 62.53 3.96 46.11 63.36 4.16 46.07 60.60 5.26 45.15 60.81 6.07 47.13 61.65 4.97 47.57 62.38 6.25 2 0 23.81-999 ?-999 ?-999 ? CL CL A 152 mVAL^F 61 46.21 59.48 4.55 47.00 59.50 3.93 46.21 57.14 5.01 47.14 56.80 4.28 45.33 58.34 4.63 44.60 58.15 3.29 3 0 24.51-999 ?-999 ?-999 ? CL CL A 152 mGLN^F 62 45.93 56.52 6.15 45.11 56.85 6.62 46.04 54.15 6.99 45.07 54.16 7.76 46.78 55.44 6.65 47.56 55.90 7.89 2 0 24.58-999 ?-999 ?-999 ? CL CL A 152 mLYS^F 63 46.53 53.05 6.42 47.32 53.21 5.82 46.31 51.27 8.08 47.47 51.28 8.47 45.97 51.72 6.67 46.44 50.71 5.63 2 0 26.33-999 ?-999 ?-999 ? CL CL A 152 mGLN^F 64 45.28 50.88 8.84 44.40 50.89 8.36 45.12 49.01 10.51 44.04 48.53 10.20 45.43 50.48 10.24 44.53 51.34 11.11 2 0 24.50-999 ?-999 ?-999 ? CL CL A 152 mLEU^F 65 46.09 48.32 11.10 46.93 48.85 11.26 45.79 46.92 13.01 46.69 47.32 13.72 45.95 46.92 11.49 47.18 46.10 11.07 3 0 26.54-999 ?-999 ?-999 ? CL CL A 152 mILE^F 66 44.65 46.45 13.49 44.05 46.10 12.77 44.51 45.06 15.51 44.11 44.06 14.92 44.28 46.44 14.91 42.79 46.83 14.99 3 0 24.74-999 ?-999 ?-999 ? CL CL A 152 mARG^F 67 45.17 44.98 16.67 45.48 45.86 17.02 44.55 43.58 18.59 44.52 44.49 19.42 45.39 43.69 17.33 46.87 43.41 17.61 2 0 24.44-999 ?-999 ?-999 ? CL CL F 152 mILE^F 68 43.87 42.45 18.69 44.04 41.81 17.94 43.18 40.71 20.27 43.40 39.81 19.48 42.98 42.14 19.78 41.53 42.32 19.28 3 0 20.93-999 ?-999 ?-999 ? CL CL F 152 mSER^F 69 43.15 40.51 21.59 43.04 41.34 22.14 42.06 38.75 23.00 41.34 39.58 23.56 43.27 39.17 22.15 44.56 39.01 22.95 2 0 18.59-999 ?-999 ?-999 ? CL CL F 152 mALA^F 70 41.83 37.46 23.08 42.44 36.89 22.51 41.52 35.83 24.67 41.99 34.88 24.05 40.79 36.92 23.91 39.68 36.35 23.08 2 0 14.94-999 ?-999 ?-999 ? CL CL F 152 mTHR^F 71 41.67 35.98 25.98 41.27 36.81 26.37 41.46 34.11 27.63 40.65 34.65 28.40 42.38 34.97 26.75 43.51 35.60 27.58 2 0 15.02-999 ?-999 ?-999 ? CL CL F 152 mVAL^F 72 41.55 32.79 27.49 42.18 32.49 26.77 41.57 31.64 29.60 42.80 31.49 29.57 40.78 31.89 28.33 40.42 30.52 27.64 3 0 12.48-999 ?-999 ?-999 ? CL CL F 152 mILE^F 73 40.86 31.61 30.72 39.88 31.75 30.57 40.56 30.32 32.68 39.43 30.59 33.07 41.45 31.39 32.03 41.48 32.71 32.84 3 0 13.93-999 ?-999 ?-999 ? CL CL F 152 mVAL^F 74 41.07 29.09 32.74 42.03 29.04 32.44 41.23 27.00 34.01 42.37 26.80 33.60 40.30 27.92 33.21 39.73 27.14 31.96 3 0 13.07-999 ?-999 ?-999 ? CL CL F 152 mPRO.F 75 40.77 26.45 35.15 39.82 26.68 35.36 42.31 24.40 35.32 43.52 24.20 35.52 41.62 25.60 36.00 40.64 25.12 37.10 3 0 15.92-999 ?-999 ?-999 ? CL CL F 152 mGLN~F 76 41.57 23.62 34.54 40.61 23.88 34.47 42.38 22.66 32.34 41.50 23.16 31.64 42.15 22.47 33.84 41.33 21.22 34.12 2 0 16.09-999 ?-999 ?-999 ? CL CL F 152 mILE~F 77 43.57 22.24 31.88 44.13 21.81 32.58 43.06 21.86 29.40 42.89 22.48 28.35 44.00 22.40 30.47 45.38 21.78 30.18 3 0 16.61-999 ?-999 ?-999 ? CL CL F 152 mSER~F 78 42.50 20.70 29.67 42.77 20.30 30.55 40.47 21.05 28.42 40.17 21.26 27.26 41.57 20.06 28.77 40.98 18.82 29.45 2 0 15.23-999 ?-999 ?-999 ? CL CL F 152 mASP~F 79 39.93 21.69 29.46 40.32 21.43 30.34 39.31 24.00 28.69 38.51 24.67 28.02 38.87 22.67 29.33 38.24 22.90 30.70 2 0 11.71-999 ?-999 ?-999 ? CL CL F 152 mALA~F 80 40.56 24.39 28.92 41.07 23.77 29.52 41.22 25.44 26.83 40.86 26.33 26.06 41.12 25.61 28.34 42.49 25.92 28.95 2 0 12.59-999 ?-999 ?-999 ? CL CL F 152 mILE~F 81 41.70 24.28 26.41 41.97 23.67 27.15 40.45 23.89 24.33 40.26 24.44 23.24 41.83 23.94 25.00 42.61 22.63 24.83 3 0 13.74-999 ?-999 ?-999 ? CL CL F 152 mASN~F 82 39.48 23.25 24.99 39.77 22.84 25.85 37.51 24.60 24.29 36.91 24.91 23.25 38.12 23.20 24.45 37.23 22.30 25.30 2 0 10.78-999 ?-999 ?-999 ? CL CL F 152 mALA~F 83 37.69 25.45 25.30 38.21 25.09 26.06 37.85 27.65 24.16 37.24 28.50 23.52 37.15 26.82 25.24 37.24 27.48 26.59 2 0 8.51-999 ?-999 ?-999 ? CL CL F 152 mLEU~F 84 39.14 27.36 23.94 39.50 26.66 24.55 39.35 27.68 21.53 39.24 28.56 20.67 39.93 28.02 22.92 41.38 27.55 23.05 3 0 11.67-999 ?-999 ?-999 ? CL CL F 152 mASP~F 85 38.98 26.42 21.33 39.18 25.80 22.10 37.04 26.75 19.85 36.72 27.13 18.72 38.34 25.98 20.08 38.02 24.49 20.12 2 0 11.80-999 ?-999 ?-999 ? CL CL F 152 mARG~F 86 36.28 26.96 20.94 36.66 26.57 21.78 35.22 29.18 20.52 34.39 29.74 19.80 35.02 27.70 20.89 34.24 27.56 22.21 2 0 8.51-999 ?-999 ?-999 ? CL CL F 152 mLEU~F 87 36.31 29.78 21.00 36.87 29.21 21.59 36.89 31.34 19.18 36.44 32.31 18.57 36.61 31.17 20.66 37.80 31.72 21.45 3 0 10.24-999 ?-999 ?-999 ? CL CL F 152 mARG~F 88 37.65 30.40 18.61 37.99 29.70 19.24 36.68 30.43 16.36 36.43 31.34 15.56 37.95 30.43 17.18 38.81 29.23 16.77 2 0 13.35-999 ?-999 ?-999 ? CL CL F 152 mARG~F 89 35.89 29.39 16.59 36.26 28.77 17.28 33.68 30.35 16.09 32.96 30.71 15.16 34.62 29.15 15.93 34.01 27.85 16.50 2 0 12.30-999 ?-999 ?-999 ? CL CL F 152 mSER~F 90 33.71 30.98 17.25 34.36 30.62 17.92 33.28 33.42 16.82 32.44 34.16 16.27 32.83 32.13 17.50 32.69 32.41 19.01 2 0 10.78-999 ?-999 ?-999 ? CL CL F 152 mLEU~F 91 34.58 33.69 16.83 35.16 32.95 17.18 35.67 35.05 14.98 35.61 36.10 14.34 35.08 34.98 16.36 36.10 35.51 17.35 3 0 13.83-999 ?-999 ?-999 ? CL CL F 152 mGLY~F 92 36.27 33.96 14.52 36.26 33.17 15.13 35.94 34.30 12.08 34.85 33.74 11.98 36.89 33.96 13.20-999.99-999.99-999.99 1 0 16.74-999 ?-999 ?-999 ? CL CL F 152 mGLY.F 93 36.36 35.24 11.23 37.23 35.65 11.48 34.40 36.54 10.29 33.61 36.76 9.36 35.60 35.64 10.06-999.99-999.99-999.99 1 0 19.45-999 ?-999 ?-999 ? CL CL F 152 mILE.F 94 34.24 37.06 11.51 34.94 36.83 12.18 33.26 39.34 11.25 34.38 39.84 11.07 33.08 37.92 11.76 32.58 37.97 13.24 3 0 18.32-999 ?-999 ?-999 ? CL CL F 152 mGLU.F 95 32.12 39.96 11.01 31.31 39.41 11.21 32.16 42.22 11.74 31.59 41.96 12.80 32.03 41.30 10.53 30.69 41.48 9.81 2 0 21.05-999 ?-999 ?-999 ? CL CL F 152 mLEU.F 96 32.94 43.28 11.57 33.32 43.34 10.65 32.82 45.63 12.09 33.05 45.92 10.90 33.21 44.26 12.61 34.70 44.28 12.97 3 0 21.77-999 ?-999 ?-999 ? CL CL F 152 mPRO.F 97 32.25 46.48 12.96 32.18 46.15 13.90 32.88 48.74 12.02 33.88 48.93 12.70 31.77 47.79 12.51 31.07 48.36 13.76 3 0 24.33-999 ?-999 ?-999 ? CL CL F 152 mASP.F 98 32.66 49.32 10.84 31.81 49.02 10.42 34.96 49.73 9.88 35.92 50.50 9.80 33.57 50.29 10.21 33.67 51.56 11.06 2 0 23.84-999 ?-999 ?-999 ? CL CL A 152 mCYH.F 99 35.04 48.41 9.70 34.18 47.94 9.87 36.21 47.29 7.82 35.13 46.99 7.30 36.28 47.72 9.30 36.57 46.51 10.20 2 0 26.03-999 ?-999 ?-999 ? CL CL A 152 mASP.F 100 37.35 47.26 7.13 38.17 47.43 7.68 37.47 45.50 5.28 37.62 45.20 4.09 37.35 46.97 5.69 38.40 47.84 4.99 2 0 28.97-999 ?-999 ?-999 ? CL CL A 152 mARG.F 101 37.38 44.60 6.25 37.27 45.01 7.16 36.95 42.42 7.27 36.85 43.02 8.33 37.44 43.16 6.01 38.88 42.72 5.68 2 0 26.93-999 ?-999 ?-999 ? CL CL F 152 mPRO.F 102 36.62 41.12 7.16 36.64 40.72 6.24 37.40 40.24 9.42 38.58 40.48 9.11 36.25 40.40 8.40 35.82 39.01 7.88 3 0 23.20-999 ?-999 ?-999 ? CL CL F 152 mLEU.F 103 37.03 39.87 10.64 36.04 39.78 10.75 38.84 38.41 11.30 38.32 37.42 10.80 37.98 39.62 11.70 37.22 39.35 13.00 3 0 20.93-999 ?-999 ?-999 ? CL CL F 152 mTRP^F 104 40.15 38.51 11.47 40.45 39.38 11.85 41.79 36.86 12.33 42.11 37.58 13.26 41.05 37.42 11.11 42.11 37.83 10.08 3 0 21.82-999 ?-999 ?-999 ? CL CL F 152 mLEU^F 105 42.06 35.56 12.30 41.71 35.08 11.49 44.27 35.17 13.05 44.65 35.25 11.88 42.80 34.93 13.36 42.50 33.43 13.40 3 0 20.42-999 ?-999 ?-999 ? CL CL F 152 mGLU^F 106 45.09 35.31 14.08 44.66 35.23 14.98 47.35 34.45 14.50 48.19 33.85 13.82 46.51 35.57 13.87 46.92 36.94 14.42 2 0 23.00-999 ?-999 ?-999 ? CL CL F 152 mSER^F 107 47.12 34.17 15.78 46.40 34.73 16.20 47.22 32.74 17.83 46.40 33.46 18.38 47.86 33.13 16.49 49.29 33.60 16.75 2 0 22.10-999 ?-999 ?-999 ? CL CL F 152 mGLU^F 108 47.61 31.57 18.34 48.21 31.04 17.74 48.46 30.80 20.41 49.42 30.26 19.84 47.20 31.12 19.66 46.32 29.87 19.60 2 0 19.82-999 ?-999 ?-999 ? CL CL F 152 mLYS^F 109 48.48 31.13 21.70 47.64 31.58 22.02 49.34 30.59 24.01 48.43 31.19 24.60 49.64 30.86 22.54 50.73 31.93 22.38 2 0 21.31-999 ?-999 ?-999 ? CL CL F 152 mTYR^F 110 50.09 29.65 24.56 50.70 29.19 23.92 50.59 30.51 26.72 51.70 30.98 26.43 50.01 29.32 25.97 50.80 28.05 26.28 3 0 21.14-999 ?-999 ?-999 ? CL CL F 152 mILE^F 111 49.83 31.00 27.69 48.97 30.51 27.84 50.75 31.90 29.86 51.51 32.70 30.41 50.24 32.16 28.45 49.18 33.29 28.30 3 0 21.73-999 ?-999 ?-999 ? CL CL F 152 mGLY^F 112 50.40 30.74 30.43 49.81 30.16 29.86 49.82 29.67 32.58 48.77 29.27 32.06 50.87 30.39 31.76-999.99-999.99-999.99 1 0 22.60-999 ?-999 ?-999 ? CL CL F 152 mASP~F 113 50.09 29.52 33.88 50.95 29.95 34.16 49.17 29.47 36.17 49.14 28.79 37.21 49.22 28.80 34.79 49.72 27.35 34.95 2 0 21.83-999 ?-999 ?-999 ? CL CL F 152 mALA~F 114 49.15 30.80 36.18 49.14 31.22 35.27 47.89 31.30 38.26 46.78 31.19 37.71 49.14 31.56 37.44 49.33 33.06 37.19 2 0 23.08-999 ?-999 ?-999 ? CL CL F 152 mALA~F 115 48.09 31.20 39.58 49.05 31.31 39.84 46.28 29.66 40.23 45.13 29.47 40.64 47.03 30.95 40.54 46.07 32.14 40.61 2 0 22.89-999 ?-999 ?-999 ? CL CL F 152 mASN~F 116 46.96 28.77 39.51 47.88 29.08 39.26 45.23 27.51 38.16 44.29 26.73 38.31 46.43 27.48 39.12 46.20 26.62 40.36 2 0 21.43-999 ?-999 ?-999 ? CL CL F 152 mPHE~F 117 45.30 28.43 37.20 46.10 29.03 37.30 45.16 28.56 34.83 46.04 29.40 34.67 44.34 28.58 36.11 43.60 29.93 36.17 3 0 18.02-999 ?-999 ?-999 ? CL CL F 152 mCYH^F 118 44.89 27.60 33.95 44.18 26.97 34.24 45.14 28.68 31.79 43.95 29.05 31.80 45.60 27.51 32.66 45.35 26.17 31.99 2 0 17.71-999 ?-999 ?-999 ? CL CL F 152 mARG^F 119 46.07 29.26 31.04 46.96 28.81 31.06 46.26 30.41 28.81 47.47 30.31 28.56 45.77 30.46 30.25 46.37 31.68 30.96 2 0 17.34-999 ?-999 ?-999 ? CL CL F 152 mTYR^F 120 45.33 30.48 27.87 44.39 30.51 28.23 45.02 31.73 25.81 43.87 32.04 26.08 45.65 30.51 26.45 45.14 29.26 25.73 3 0 16.88-999 ?-999 ?-999 ? CL CL F 152 mALA^F 121 45.78 32.40 24.95 46.70 32.03 24.82 45.06 33.34 22.76 45.81 32.61 22.11 45.27 33.57 24.25 46.19 34.75 24.45 2 0 17.36-999 ?-999 ?-999 ? CL CL F 152 mLEU^F 122 44.03 33.97 22.24 43.45 34.44 22.90 43.99 35.40 20.41 43.29 36.29 20.91 43.78 33.96 20.81 42.34 33.52 20.49 3 0 16.99-999 ?-999 ?-999 ? CL CL F 152 mASP^F 123 45.00 35.63 19.58 45.53 34.82 19.35 44.59 37.06 17.73 44.62 36.14 16.93 45.30 36.95 19.07 46.82 37.14 18.90 2 0 20.07-999 ?-999 ?-999 ? CL CL F 152 mMET^F 124 43.96 38.19 17.47 44.05 38.88 18.19 43.48 39.77 15.65 43.96 40.66 16.34 43.20 38.40 16.24 41.71 38.33 16.56 2 0 20.43-999 ?-999 ?-999 ? CL CL F 152 mTHR^F 125 43.17 39.95 14.37 42.80 39.16 13.89 42.17 41.79 13.03 41.45 41.03 12.36 43.37 41.26 13.77 44.60 41.35 12.83 2 0 23.37-999 ?-999 ?-999 ? CL CL F 152 mALA^F 126 41.95 43.09 13.17 42.58 43.54 13.81 41.63 44.81 11.53 42.82 45.09 11.67 40.92 43.81 12.47 40.03 44.52 13.45 2 0 24.28-999 ?-999 ?-999 ? CL CL F 152 mSER^F 127 40.89 45.38 10.60 39.92 45.14 10.59 40.60 47.45 9.31 39.41 47.26 9.06 41.51 46.30 9.67 41.95 45.54 8.41 2 0 27.10-999 ?-999 ?-999 ? CL CL A 152 mTHR^F 128 41.16 48.65 9.27 42.13 48.66 9.52 41.33 50.89 8.27 42.55 50.79 8.30 40.41 49.83 8.89 39.60 50.42 10.09 2 0 24.82-999 ?-999 ?-999 ? CL CL A 152 mLEU^F 129 40.69 51.91 7.71 39.70 51.87 7.78 41.31 54.27 7.88 40.23 54.85 8.05 41.39 52.98 7.05 40.79 53.19 5.66 3 0 24.22-999 ?-999 ?-999 ? CL CL A 152 mPHE^F 130 42.43 54.72 8.42 43.24 54.15 8.30 42.50 57.13 8.13 43.39 57.18 7.28 42.41 55.98 9.13 43.54 56.10 10.16 3 0 21.03-999 ?-999 ?-999 ? CL CL A 152 mILE^F 131 41.57 58.08 8.26 40.94 57.94 9.02 41.64 60.50 8.14 40.78 60.82 8.96 41.51 59.21 7.35 40.19 59.18 6.52 3 0 20.83-999 ?-999 ?-999 ? CL CL A 152 mALA.F 132 42.73 61.23 7.91 43.35 60.85 7.23 41.99 63.59 8.24 41.60 63.71 7.07 42.97 62.49 8.62 44.41 62.99 8.40 2 0 18.89-999 ?-999 ?-999 ? CL CL A 152 mGLU.F 133 41.61 64.38 9.25 41.94 64.08 10.14 41.65 66.54 8.27 42.85 66.67 8.55 40.79 65.56 9.05 40.40 66.21 10.38 2 0 17.40-999 ?-999 ?-999 ? CL CL A 152 mGLN.F 134 41.05 67.21 7.30 40.08 66.98 7.18 41.55 69.57 7.12 41.15 69.67 8.28 41.74 68.20 6.48 41.22 68.20 5.04 2 0 20.00-999 ?-999 ?-999 ? CL CL A 152