HEADER OXIDOREDUCTASE 30-JUL-07 2QS7 COMPND UNCHARACTERIZED PROTEIN; COMPND 3 CHAIN: A, B, C, D; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: SULFOLOBUS SOLFATARICUS P2; SOURCE 3 ORGANISM_TAXID: 273057; SOURCE 4 STRAIN: P2, DSM 1617, JCM 11322; SOURCE 5 ATCC: 35092; SOURCE 6 GENE: NP_342590.1, SSO1126; SOURCE 7 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 8 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 9 EXPRESSION_SYSTEM_STRAIN: HK100; SOURCE 10 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 11 EXPRESSION_SYSTEM_PLASMID: SPEEDET AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) HET MSE A 22 8 HET MSE A 70 8 HET MSE A 74 8 HET MSE A 75 8 HET MSE A 78 8 HET MSE A 81 8 HET MSE A 85 13 HET MSE A 108 8 HET MSE B 22 8 HET MSE B 70 8 HET MSE B 74 8 HET MSE B 75 8 HET MSE B 78 8 HET MSE B 81 8 HET MSE B 85 13 HET MSE B 108 8 HET MSE C 22 8 HET MSE C 70 8 HET MSE C 74 8 HET MSE C 75 8 HET MSE C 78 8 HET MSE C 81 8 HET MSE C 85 13 HET MSE C 108 8 HET MSE D 22 8 HET MSE D 70 8 HET MSE D 74 8 HET MSE D 75 8 HET MSE D 78 8 HET MSE D 81 8 HET MSE D 85 13 HET MSE D 108 8 HET CL D 144 1 HET CL A 144 1 HET CL D 145 1 HET EPE D 146 15 HET EPE A 145 15 SITE 1 AC1 2 PHE D 142 HOH D 148 SITE 1 AC2 4 PHE A 142 HOH A 146 PHE B 142 PHE C 142 SITE 1 AC3 1 ALA D 129 SITE 1 AC4 5 GLY D 137 GLY D 138 THR D 139 THR D 140 SITE 1 AC5 11 GLY A 137 GLY A 138 THR A 139 THR A 140 mLYS.A 6 -21.15 6.51 -12.46 -20.23 6.77 -12.17 -22.85 4.61 -12.94 -22.16 3.82 -13.59 -22.55 6.13 -12.91 -22.90 6.73 -14.26 2 0 11.99-999 ?-999 ?-999 ? C5 EPE A 145 mLYS.A 7 -23.86 4.25 -12.17 -24.26 5.03 -11.68 -24.82 2.36 -13.36 -25.37 3.09 -14.18 -24.35 2.90 -12.02 -25.50 2.86 -11.02 2 0 9.80-999 ?-999 ?-999 ? C5 EPE A 145 mLYS^A 8 -24.67 1.07 -13.56 -24.30 0.56 -12.78 -25.71 -0.83 -14.69 -25.36 -1.63 -13.82 -25.01 0.47 -14.85 -23.68 0.27 -15.61 2 0 9.21-999 ?-999 ?-999 ? C6 EPE A 145 mLEU^A 9 -26.71 -1.03 -15.53 -26.91 -0.24 -16.11 -27.48 -2.72 -17.09 -27.81 -1.97 -17.99 -27.46 -2.26 -15.63 -28.91 -2.02 -15.21 3 0 7.98-999 ?-999 ?-999 ? O1S EPE A 145 mSER^A 10 -27.11 -3.99 -17.31 -26.83 -4.49 -16.49 -27.98 -5.82 -18.59 -27.87 -6.64 -17.67 -27.14 -4.57 -18.63 -25.72 -4.85 -19.13 2 0 8.24-999 ?-999 ?-999 ? O1S EPE A 145 mILE^A 11 -28.83 -5.99 -19.58 -28.79 -5.28 -20.28 -29.70 -7.82 -20.96 -29.82 -7.14 -21.98 -29.73 -7.14 -19.61 -31.20 -6.71 -19.36 3 0 8.33-999 ?-999 ?-999 ? CL CL A 144 mILE^A 12 -29.52 -9.14 -20.93 -29.32 -9.52 -20.03 -31.08 -10.41 -22.15 -31.56 -11.15 -21.26 -29.63 -9.97 -22.13 -28.72 -11.21 -22.14 3 0 8.45-999 ?-999 ?-999 ? CL CL A 144 mVAL^A 13 -31.81 -9.87 -23.11 -31.28 -9.27 -23.72 -33.36 -11.31 -24.19 -33.44 -11.13 -25.42 -33.25 -10.16 -23.25 -34.05 -8.93 -23.75 3 0 10.32-999 ?-999 ?-999 ? CL CL A 144 mPHE.A 14 -33.32 -12.51 -23.61 -33.21 -12.47 -22.62 -34.86 -14.18 -24.61 -35.22 -14.73 -25.71 -33.43 -13.75 -24.38 -32.71 -14.85 -23.59 3 0 10.78-999 ?-999 ?-999 ? CL CL A 144 mSER.A 15 -35.67 -14.01 -23.57 -35.24 -13.56 -22.78 -37.98 -13.54 -24.42 -37.68 -12.36 -24.64 -37.08 -14.45 -23.60 -37.62 -14.59 -22.18 2 0 12.19-999 ?-999 ?-999 ? CL CL A 144 mGLY.A 16 -39.09 -14.11 -24.90 -39.22 -15.07 -24.65 -41.48 -13.42 -25.25 -42.33 -12.95 -25.95 -40.03 -13.36 -25.72-999.99-999.99-999.99 1 0 15.74-999 ?-999 ?-999 ? CL CL A 144 mTHR~A 17 -41.74 -13.98 -24.07 -40.94 -14.34 -23.60 -43.38 -12.73 -22.82 -42.48 -12.07 -22.32 -43.10 -14.04 -23.55 -43.32 -15.27 -22.64 2 0 16.80-999 ?-999 ?-999 ? CL CL A 144 mILE~A 18 -44.65 -12.35 -22.75 -45.30 -13.01 -23.13 -44.66 -10.97 -20.70 -44.27 -9.89 -20.26 -45.03 -11.07 -22.17 -46.56 -10.76 -22.39 3 0 18.03-999 ?-999 ?-999 ? CL CL A 144 mASP~A 19 -44.75 -12.06 -19.96 -45.05 -12.88 -20.45 -42.97 -11.80 -18.28 -42.61 -11.36 -17.20 -44.44 -12.04 -18.53 -44.93 -13.29 -17.81 2 0 16.13-999 ?-999 ?-999 ? CL CL A 144 mLYS~A 20 -42.11 -12.06 -19.26 -42.51 -12.46 -20.08 -40.33 -10.40 -19.70 -39.43 -9.71 -19.23 -40.69 -11.75 -19.10 -39.81 -12.87 -19.63 2 0 12.79-999 ?-999 ?-999 ? CL CL A 144 mLEU~A 21 -41.05 -9.98 -20.72 -41.77 -10.61 -21.02 -41.22 -7.57 -20.39 -40.59 -6.52 -20.39 -40.79 -8.69 -21.33 -41.46 -8.58 -22.70 3 0 14.58-999 ?-999 ?-999 ? CL CL A 144 mMETA 22 -42.29 -7.76 -19.60 -42.74 -8.64 -19.72 -41.63 -6.33 -17.64 -41.36 -5.15 -17.48 -42.71 -6.72 -18.65 -44.00 -7.12 -17.92 2 0 16.03-999 ?-999 ?-999 ? CL CL A 144 mPRO~A 23 -41.03 -7.31 -16.94 -41.44 -8.22 -17.06 -38.78 -6.27 -16.79 -38.13 -5.41 -16.18 -39.88 -7.05 -16.07 -39.38 -8.45 -15.74 3 0 12.96-999 ?-999 ?-999 ? CL CL A 144 mVAL~A 24 -38.49 -6.62 -18.04 -39.01 -7.40 -18.38 -37.85 -4.40 -18.88 -37.06 -3.55 -18.59 -37.46 -5.88 -18.82 -37.29 -6.43 -20.25 3 0 12.38-999 ?-999 ?-999 ? CL CL A 144 mGLY~A 25 -39.12 -4.13 -19.21 -39.67 -4.93 -19.42 -39.54 -2.04 -17.89 -39.15 -0.87 -17.81 -39.61 -2.76 -19.24-999.99-999.99-999.99 1 0 16.04-999 ?-999 ?-999 ? CL CL A 144 mILE~A 26 -39.93 -2.74 -16.83 -40.17 -3.69 -17.04 -38.57 -1.95 -14.96 -38.29 -0.92 -14.36 -39.99 -2.17 -15.49 -40.82 -3.08 -14.54 3 0 16.06-999 ?-999 ?-999 ? CL CL A 144 mLEU~A 27 -37.69 -2.90 -15.16 -38.05 -3.72 -15.61 -35.68 -1.53 -15.48 -34.98 -0.72 -14.90 -36.29 -2.71 -14.75 -35.47 -3.94 -15.06 3 0 13.29-999 ?-999 ?-999 ? CL CL A 144 mTHR~A 28 -35.88 -1.49 -16.80 -36.47 -2.21 -17.17 -35.76 0.93 -17.16 -34.98 1.85 -16.98 -35.28 -0.43 -17.60 -35.58 -0.63 -19.07 2 0 14.76-999 ?-999 ?-999 ? O1S EPE A 145 mSER~A 29 -37.08 1.04 -16.98 -37.57 0.18 -17.11 -37.30 2.76 -15.26 -36.94 3.92 -15.07 -37.74 2.28 -16.63 -39.25 2.06 -16.63 2 0 17.88-999 ?-999 ?-999 ? O1S EPE A 145 mGLY~A 30 -37.31 1.84 -14.30 -37.61 0.94 -14.62 -35.46 2.50 -12.80 -35.12 3.47 -12.18 -36.92 2.15 -12.92-999.99-999.99-999.99 1 0 16.60-999 ?-999 ?-999 ? O1S EPE A 145 mALA~A 31 -34.58 1.73 -13.44 -34.99 0.97 -13.95 -32.82 3.35 -14.06 -32.04 4.15 -13.49 -33.15 2.02 -13.40 -32.37 0.82 -14.04 2 0 13.91-999 ?-999 ?-999 ? O1S EPE A 145 mALA~A 32 -33.38 3.60 -15.25 -33.97 2.87 -15.59 -33.57 6.03 -15.12 -32.85 7.02 -15.01 -33.13 4.85 -15.97 -33.81 4.83 -17.34 2 0 16.59-999 ?-999 ?-999 ? O1S EPE A 145 mALA~A 33 -34.75 5.93 -14.49 -35.23 5.07 -14.64 -34.37 7.26 -12.43 -34.30 8.35 -11.90 -35.26 7.02 -13.65 -36.69 6.75 -13.22 2 0 19.18-999 ?-999 ?-999 ? O1S EPE A 145 mSER~A 34 -33.68 6.22 -12.00 -33.85 5.38 -12.52 -31.34 6.77 -11.26 -30.46 6.84 -10.40 -32.76 6.30 -10.88 -32.72 4.90 -10.27 2 0 17.22-999 ?-999 ?-999 ? O1S EPE A 145 mGLY.A 35 -31.11 7.07 -12.54 -31.89 6.97 -13.16 -28.85 6.46 -13.47 -27.68 6.75 -13.71 -29.80 7.53 -12.97-999.99-999.99-999.99 1 0 16.89-999 ?-999 ?-999 ? C5 EPE A 145 mTYR.A 36 -29.32 5.24 -13.66 -30.27 5.12 -13.37 -28.32 4.30 -15.74 -29.24 4.75 -16.41 -28.48 4.19 -14.23 -29.12 2.81 -14.00 3 0 13.70-999 ?-999 ?-999 ? O1S EPE A 145 mGLU^A 37 -27.19 3.84 -16.26 -26.49 3.62 -15.58 -27.57 2.24 -17.87 -27.28 1.32 -17.08 -26.98 3.65 -17.67 -25.48 3.71 -17.97 2 0 13.74-999 ?-999 ?-999 ? C6 EPE A 145 mVAL^A 38 -28.43 2.05 -18.87 -28.63 2.86 -19.42 -28.70 0.30 -20.52 -28.89 1.06 -21.47 -29.02 0.75 -19.10 -30.57 0.75 -18.88 3 0 12.67-999 ?-999 ?-999 ? O1S EPE A 145 mASN^A 39 -28.23 -0.94 -20.64 -28.10 -1.42 -19.77 -28.80 -2.75 -22.07 -28.80 -3.62 -21.21 -27.92 -1.53 -21.92 -26.45 -1.95 -22.01 2 0 12.70-999 ?-999 ?-999 ? O1S EPE A 145 mLEU^A 40 -29.54 -2.83 -23.17 -29.48 -2.02 -23.77 -29.83 -4.69 -24.69 -29.57 -4.04 -25.71 -30.36 -4.01 -23.45 -31.81 -3.61 -23.67 3 0 13.24-999 ?-999 ?-999 ? CL CL A 144 mPHE^A 41 -29.68 -6.00 -24.60 -29.93 -6.37 -23.70 -30.29 -7.86 -26.05 -30.49 -8.83 -25.30 -29.20 -6.83 -25.70 -27.89 -7.52 -25.28 3 0 13.04-999 ?-999 ?-999 ? CL CL D 145 mPHE^A 42 -30.99 -7.66 -27.17 -30.73 -6.86 -27.70 -31.52 -9.68 -28.41 -30.93 -9.44 -29.45 -32.05 -8.57 -27.56 -33.17 -7.84 -28.28 3 0 14.31-999 ?-999 ?-999 ? CL CL A 144 mTHR~A 43 -31.76 -10.90 -27.97 -32.32 -10.94 -27.14 -32.31 -13.16 -28.64 -33.27 -13.12 -27.89 -31.24 -12.08 -28.63 -29.95 -12.54 -27.92 2 0 14.05-999 ?-999 ?-999 ? CL CL D 145 mPHE~A 44 -32.16 -14.12 -29.54 -31.33 -14.02 -30.09 -34.57 -14.70 -29.67 -34.94 -13.91 -30.53 -33.14 -15.19 -29.68 -32.89 -16.30 -28.62 3 0 15.73-999 ?-999 ?-999 ? CL CL A 144 mTRP~A 45 -35.36 -15.14 -28.72 -34.89 -15.68 -28.02 -37.06 -13.37 -28.46 -38.07 -12.81 -28.93 -36.79 -14.83 -28.71 -37.49 -15.70 -27.66 3 0 16.21-999 ?-999 ?-999 ? CL CL A 144 mGLY~A 46 -36.17 -12.74 -27.72 -35.42 -13.32 -27.40 -36.06 -10.52 -28.65 -36.63 -9.46 -28.82 -36.29 -11.34 -27.41-999.99-999.99-999.99 1 0 14.99-999 ?-999 ?-999 ? CL CL A 144 mLEU~A 47 -35.21 -11.00 -29.55 -34.79 -11.87 -29.31 -36.20 -10.32 -31.65 -36.58 -9.36 -32.30 -34.96 -10.26 -30.77 -33.75 -10.85 -31.47 3 0 17.20-999 ?-999 ?-999 ? CL CL D 145 mGLN~A 48 -36.85 -11.46 -31.64 -36.41 -12.17 -31.09 -39.13 -10.60 -31.94 -39.85 -10.01 -32.72 -38.10 -11.64 -32.39 -38.68 -13.02 -32.02 2 0 20.14-999 ?-999 ?-999 ? CL CL A 144 mALA~A 49 -39.17 -10.39 -30.63 -38.49 -10.92 -30.12 -39.88 -7.99 -30.37 -40.79 -7.18 -30.19 -40.09 -9.47 -29.99 -39.97 -9.63 -28.47 2 0 19.51-999 ?-999 ?-999 ? CL CL A 144 mILE~A 50 -38.70 -7.61 -30.85 -38.02 -8.34 -30.91 -38.48 -6.06 -32.79 -38.03 -5.03 -33.31 -38.47 -6.23 -31.27 -37.19 -5.63 -30.69 3 0 20.64-999 ?-999 ?-999 ? CL CL A 144 mTHR~A 51 -38.96 -7.06 -33.52 -39.18 -7.89 -33.01 -40.41 -6.11 -35.12 -41.31 -6.25 -34.30 -39.12 -6.90 -34.97 -39.29 -8.24 -35.74 2 0 21.69-999 ?-999 ?-999 ? CL CL D 145 mLYS~A 52 -40.46 -5.25 -36.15 -39.62 -5.20 -36.67 -42.87 -5.35 -36.62 -43.96 -5.00 -36.17 -41.66 -4.45 -36.45 -41.48 -3.66 -37.75 2 0 24.79-999 ?-999 ?-999 ? CL CL D 145 mARG~A 53 -42.67 -6.49 -37.26 -41.74 -6.64 -37.59 -44.39 -7.88 -36.13 -45.60 -7.89 -35.97 -43.78 -7.44 -37.46 -43.38 -8.66 -38.31 2 0 26.68-999 ?-999 ?-999 ? CL CL D 145 mSER~A 54 -43.53 -8.20 -35.16 -42.57 -8.10 -35.40 -44.70 -7.55 -33.09 -45.76 -7.74 -32.50 -44.02 -8.67 -33.86 -42.87 -9.27 -33.06 2 0 25.02-999 ?-999 ?-999 ? CL CL A 144 mLEU~A 55 -44.09 -6.38 -33.12 -43.26 -6.36 -33.68 -45.96 -4.78 -32.90 -46.79 -4.37 -32.10 -44.62 -5.23 -32.39 -43.63 -4.06 -32.42 3 0 25.23-999 ?-999 ?-999 ? CL CL A 144 mASN~A 56 -46.18 -4.88 -34.20 -45.40 -5.25 -34.72 -48.49 -5.57 -34.87 -49.63 -5.31 -35.26 -47.44 -4.47 -34.81 -47.19 -3.92 -36.22 2 0 28.96-999 ?-999 ?-999 ? CL CL A 144 mSER~A 57 -48.14 -6.79 -34.48 -47.20 -6.86 -34.15 -50.32 -7.66 -33.71 -50.26 -7.09 -32.63 -49.08 -7.91 -34.54 -48.44 -9.21 -34.09 2 0 28.98-999 ?-999 ?-999 ? CL CL A 144 mGLN.A 58 -51.45 -8.11 -34.23 -51.34 -8.54 -35.12 -52.94 -9.18 -32.62 -53.84 -9.15 -31.78 -52.72 -7.98 -33.54 -53.87 -7.86 -34.56 2 0 30.99-999 ?-999 ?-999 ? CL CL A 144 mGLN.A 59 -52.11 -10.22 -32.77 -51.40 -10.09 -33.47 -51.94 -11.19 -30.47 -50.96 -10.50 -30.13 -52.25 -11.44 -31.97 -51.43 -12.60 -32.56 2 0 29.20-999 ?-999 ?-999 ? CL CL A 144 mPRO.A 60 -52.79 -11.75 -29.58 -53.51 -12.32 -29.98 -51.29 -11.98 -27.60 -50.85 -13.08 -27.94 -52.65 -11.53 -28.13 -53.80 -12.36 -27.52 3 0 27.44-999 ?-999 ?-999 ? CL CL A 144 mPRO.A 61 -50.63 -11.14 -26.77 -51.12 -10.30 -26.56 -49.24 -12.90 -25.64 -50.26 -13.39 -25.11 -49.29 -11.49 -26.24 -49.01 -10.41 -25.17 3 0 23.60-999 ?-999 ?-999 ? CL CL A 144 mGLN.A 62 -48.08 -13.55 -25.72 -47.33 -13.03 -26.12 -47.41 -14.97 -23.83 -46.35 -14.46 -23.59 -47.98 -14.93 -25.24 -47.15 -15.80 -26.22 2 0 21.89-999 ?-999 ?-999 ? CL CL A 144 mILE.A 63 -48.16 -15.56 -22.90 -49.06 -15.83 -23.22 -46.92 -17.11 -21.52 -47.16 -18.00 -22.34 -47.69 -15.79 -21.53 -48.87 -16.00 -20.52 3 0 20.15-999 ?-999 ?-999 ? CL CL A 144 mASP~A 64 -45.99 -17.25 -20.59 -45.83 -16.42 -20.04 -46.31 -19.60 -20.14 -47.15 -19.46 -19.25 -45.27 -18.50 -20.40 -44.29 -18.35 -19.23 2 0 18.02-999 ?-999 ?-999 ? CL CL A 144 mLYS~A 65 -46.25 -20.69 -20.90 -45.53 -20.67 -21.60 -47.18 -22.33 -19.26 -48.16 -22.89 -18.82 -47.16 -21.80 -20.71 -46.84 -22.94 -21.69 2 0 20.89-999 ?-999 ?-999 ? CL CL A 144 mASN~A 66 -46.08 -22.14 -18.53 -45.33 -21.69 -19.01 -46.99 -21.84 -16.20 -47.34 -22.35 -15.11 -46.02 -22.58 -17.13 -44.62 -22.38 -16.58 2 0 19.45-999 ?-999 ?-999 ? CL CL A 144 mTYR~A 67 -47.40 -20.64 -16.62 -47.04 -20.38 -17.51 -49.54 -19.34 -16.62 -50.05 -18.25 -16.37 -48.30 -19.80 -15.82 -47.54 -18.55 -15.29 3 0 20.38-999 ?-999 ?-999 ? CL CL A 144 mGLU~A 68 -50.01 -20.15 -17.58 -49.48 -20.99 -17.69 -52.44 -19.43 -17.51 -53.08 -18.40 -17.76 -51.21 -19.81 -18.37 -51.66 -20.98 -19.25 2 0 23.44-999 ?-999 ?-999 ? CL CL A 144 mGLN~A 69 -52.77 -20.29 -16.55 -52.15 -21.07 -16.47 -53.96 -18.71 -15.03 -55.03 -18.16 -14.80 -53.94 -20.10 -15.67 -53.97 -21.18 -14.58 2 0 25.87-999 ?-999 ?-999 ? CL CL A 144 mMETA 70 -52.78 -18.16 -14.77 -52.01 -18.73 -15.04 -52.56 -15.65 -15.11 -52.51 -14.49 -14.67 -52.64 -16.84 -14.14 -51.33 -16.82 -13.35 2 0 23.96-999 ?-999 ?-999 ? CL CL A 144 mGLY.A 71 -52.52 -15.95 -16.41 -52.59 -16.93 -16.59 -53.43 -13.85 -17.47 -53.09 -12.66 -17.34 -52.38 -14.94 -17.47-999.99-999.99-999.99 1 0 23.70-999 ?-999 ?-999 ? CL CL A 144 mPRO.A 72 -54.71 -14.23 -17.61 -54.85 -15.21 -17.70 -55.78 -12.27 -16.43 -55.94 -11.06 -16.64 -55.78 -13.23 -17.63 -57.07 -14.08 -17.64 3 0 27.08-999 ?-999 ?-999 ? CL CL A 144 mILE.A 73 -55.59 -12.79 -15.21 -55.48 -13.78 -15.21 -54.58 -10.78 -14.19 -54.90 -9.62 -13.88 -55.55 -11.94 -13.99 -55.07 -12.69 -12.70 3 0 26.73-999 ?-999 ?-999 ? CL CL A 144 mMETA 74 -53.39 -11.11 -14.69 -53.27 -12.08 -14.90 -52.73 -9.15 -16.03 -52.63 -7.93 -15.85 -52.36 -10.12 -14.90 -51.03 -10.83 -15.19 2 0 23.75-999 ?-999 ?-999 ? CL CL A 144 mMETA 75 -53.13 -9.69 -17.18 -53.20 -10.69 -17.18 -54.58 -7.89 -18.02 -54.47 -6.70 -18.32 -53.45 -8.86 -18.34 -53.79 -9.74 -19.56 2 0 25.33-999 ?-999 ?-999 ? CL CL A 144 mGLN.A 76 -55.63 -8.41 -17.39 -55.55 -9.40 -17.21 -56.37 -6.50 -16.00 -56.74 -5.34 -16.19 -56.78 -7.62 -16.98 -57.86 -8.51 -16.35 2 0 28.66-999 ?-999 ?-999 ? CL CL A 144 mLYS.A 77 -55.56 -6.83 -14.99 -55.24 -7.78 -15.01 -54.27 -4.75 -14.47 -54.27 -3.65 -13.91 -55.19 -5.86 -13.95 -54.56 -6.55 -12.74 2 0 27.47-999 ?-999 ?-999 ? CL CL A 144 mMETA 78 -53.52 -5.04 -15.53 -53.62 -5.98 -15.86 -53.34 -3.11 -17.09 -53.05 -1.92 -17.10 -52.62 -4.05 -16.13 -51.43 -4.72 -16.80 2 0 25.68-999 ?-999 ?-999 ? CL CL A 144 mGLN.A 79 -54.26 -3.64 -17.90 -54.35 -4.63 -17.86 -55.99 -1.91 -17.89 -56.31 -0.77 -18.25 -55.05 -2.77 -18.77 -55.74 -3.55 -19.91 2 0 28.68-999 ?-999 ?-999 ? CL CL A 144 mGLU.A 80 -56.38 -2.44 -16.73 -56.04 -3.38 -16.59 -56.47 -0.55 -15.13 -57.05 0.51 -14.90 -57.22 -1.73 -15.75 -57.69 -2.70 -14.65 2 0 30.80-999 ?-999 ?-999 ? CL CL A 144 mMETA 81 -55.18 -0.73 -14.86 -54.85 -1.66 -15.04 -53.79 1.22 -15.50 -53.13 2.23 -15.26 -54.34 0.36 -14.35 -53.15 -0.19 -13.56 2 0 29.10-999 ?-999 ?-999 ? CL CL A 144 mLYS.A 82 -54.05 0.81 -16.75 -54.64 0.00 -16.79 -52.01 1.47 -17.87 -51.33 2.46 -18.17 -53.53 1.50 -17.93 -54.05 2.93 -18.04 2 0 29.17-999 ?-999 ?-999 ? CL CL A 144 mTYR.A 83 -51.48 0.32 -17.48 -52.12 -0.42 -17.30 -49.44 0.16 -18.74 -49.94 -0.56 -19.59 -50.05 0.19 -17.33 -49.73 -1.06 -16.50 3 0 25.49-999 ?-999 ?-999 ? CL CL A 144 mPRO.A 84 -48.39 0.97 -19.00 -48.09 1.54 -18.24 -47.24 -0.38 -20.78 -46.90 -1.21 -19.92 -47.78 0.97 -20.35 -46.60 1.95 -20.23 3 0 24.63-999 ?-999 ?-999 ? CL CL A 144 mMETA 85 -47.17 -0.61 -22.10 -47.52 0.12 -22.68 -45.09 -1.81 -22.41 -44.49 -0.73 -22.29 -46.60 -1.87 -22.60 -46.99 -2.19 -24.05 2 0 22.78-999 ?-999 ?-999 ? CL CL A 144 mTRP.A 86 -44.48 -2.99 -22.36 -45.07 -3.78 -22.52 -42.20 -2.21 -23.00 -41.24 -1.58 -22.53 -43.07 -3.08 -22.10 -42.63 -4.54 -22.17 3 0 19.26-999 ?-999 ?-999 ? CL CL A 144 mHIS.A 87 -42.51 -2.19 -24.29 -43.31 -2.73 -24.54 -41.86 0.08 -25.05 -40.95 0.82 -25.35 -41.69 -1.42 -25.22 -41.92 -1.82 -26.67 3 0 20.71-999 ?-999 ?-999 ? CL CL A 144 mGLN.A 88 -43.03 0.52 -24.59 -43.72 -0.19 -24.46 -42.45 2.34 -23.12 -41.90 3.42 -23.09 -43.28 1.92 -24.31 -44.75 2.18 -24.03 2 0 23.38-999 ?-999 ?-999 ? CL CL A 144 mLEU.A 89 -42.33 1.46 -22.13 -42.87 0.62 -22.25 -40.03 1.87 -21.40 -39.31 2.73 -20.89 -41.49 1.73 -20.97 -41.64 0.64 -19.90 3 0 20.95-999 ?-999 ?-999 ? CL CL A 144 mVAL.A 90 -39.59 1.05 -22.35 -40.27 0.39 -22.69 -37.99 2.48 -23.58 -37.03 3.23 -23.29 -38.21 1.15 -22.82 -37.78 -0.06 -23.64 3 0 19.40-999 ?-999 ?-999 ? CL CL A 144 mGLN.A 91 -38.90 2.81 -24.50 -39.66 2.16 -24.59 -38.81 5.24 -24.39 -38.05 6.19 -24.59 -38.76 4.01 -25.27 -39.82 4.08 -26.40 2 0 22.95-999 ?-999 ?-999 ? CL CL A 144 mGLN.A 92 -39.70 5.25 -23.41 -40.28 4.44 -23.36 -38.51 6.49 -21.68 -38.03 7.58 -21.41 -39.79 6.39 -22.48 -40.99 6.26 -21.52 2 0 23.96-999 ?-999 ?-999 ? O1S EPE A 145 mALA.A 93 -37.94 5.34 -21.31 -38.44 4.52 -21.59 -35.57 5.96 -21.38 -34.77 6.72 -20.83 -36.69 5.33 -20.55 -36.31 3.94 -20.13 2 0 20.50-999 ?-999 ?-999 ? O1S EPE A 145 mLYS.A 94 -35.53 5.68 -22.69 -36.24 5.05 -23.00 -34.63 7.78 -23.59 -33.62 8.45 -23.67 -34.52 6.28 -23.57 -34.62 5.79 -25.02 2 0 21.44-999 ?-999 ?-999 ? O1S EPE A 145 mGLU.A 95 -35.85 8.31 -23.54 -36.58 7.63 -23.50 -35.64 10.37 -22.21 -35.08 11.45 -22.17 -36.06 9.76 -23.55 -37.53 10.09 -23.84 2 0 24.68-999 ?-999 ?-999 ? O1S EPE A 145 mILE.A 96 -35.88 9.66 -21.12 -36.29 8.77 -21.32 -34.10 9.98 -19.36 -33.54 10.88 -18.75 -35.57 10.13 -19.76 -36.52 9.39 -18.74 3 0 23.22-999 ?-999 ?-999 ? O1S EPE A 145 mGLY.A 97 -33.49 8.84 -19.68 -34.04 8.21 -20.22 -31.25 8.06 -20.38 -31.48 8.37 -21.55 -32.13 8.56 -19.27-999.99-999.99-999.99 1 0 20.25-999 ?-999 ?-999 ? O1S EPE A 145 mGLU^A 98 -30.24 7.29 -19.99 -30.24 7.11 -19.00 -29.50 5.26 -21.10 -29.10 4.44 -20.31 -29.23 6.76 -20.91 -27.83 7.05 -20.31 2 0 18.46-999 ?-999 ?-999 ? O1S EPE A 145 mVAL^A 99 -30.25 4.95 -22.15 -30.52 5.73 -22.72 -30.22 3.30 -23.87 -30.50 4.09 -24.78 -30.64 3.61 -22.44 -32.18 3.41 -22.28 3 0 17.27-999 ?-999 ?-999 ? O1S EPE A 145 mLYS^A 100 -29.53 2.17 -24.05 -29.33 1.66 -23.21 -29.69 0.35 -25.64 -29.67 -0.53 -24.77 -29.11 1.73 -25.37 -27.59 1.67 -25.47 2 0 16.89-999 ?-999 ?-999 ? CL CL D 145 mVAL^A 101 -30.23 0.19 -26.85 -30.15 1.00 -27.43 -30.06 -1.61 -28.39 -29.85 -0.97 -29.43 -30.86 -1.03 -27.28 -32.29 -0.73 -27.75 3 0 15.98-999 ?-999 ?-999 ? CL CL D 145 mPHE^A 102 -29.59 -2.83 -28.17 -29.84 -3.19 -27.27 -29.51 -4.84 -29.57 -30.20 -5.45 -28.79 -28.78 -3.57 -29.13 -27.46 -3.98 -28.49 3 0 12.57-999 ?-999 ?-999 ? CL CL D 145 mALA^A 103 -29.28 -5.21 -30.82 -28.71 -4.57 -31.33 -28.63 -7.35 -31.66 -27.59 -6.94 -32.15 -29.80 -6.42 -31.41 -30.56 -6.09 -32.76 2 0 12.30-999 ?-999 ?-999 ? CL CL D 145 mCYH^A 104 -28.82 -8.62 -31.34 -29.73 -8.79 -30.95 -27.67 -10.09 -32.97 -28.61 -10.60 -33.58 -27.84 -9.67 -31.52 -28.32 -10.89 -30.74 2 0 10.04-999 ?-999 ?-999 ? CL CL D 145 mSER~A 105 -26.48 -9.93 -33.51 -25.78 -9.56 -32.88 -26.30 -11.74 -35.20 -26.70 -12.11 -36.29 -26.22 -10.25 -34.90 -24.88 -9.69 -35.33 2 0 9.09-999 ?-999 ?-999 ? CL CL D 145 mTHR~A 106 -25.95 -12.61 -34.25 -25.66 -12.18 -33.39 -27.40 -14.61 -34.65 -27.69 -15.35 -35.59 -25.98 -14.07 -34.49 -25.26 -14.84 -33.38 2 0 9.95-999 ?-999 ?-999 ? CL CL D 145 mTHR~A 107 -28.27 -14.23 -33.74 -27.87 -13.69 -33.00 -30.30 -14.07 -35.09 -31.17 -14.74 -35.67 -29.67 -14.57 -33.80 -30.46 -13.85 -32.65 2 0 13.21-999 ?-999 ?-999 ? CL CL D 145 mMETA 108 -29.92 -12.88 -35.53 -29.24 -12.42 -34.96 -30.21 -13.21 -37.96 -31.05 -13.31 -38.85 -30.49 -12.32 -36.76 -30.02 -10.91 -37.01 2 0 14.04-999 ?-999 ?-999 ? CL CL D 145 mGLU~A 109 -29.04 -13.84 -37.98 -28.43 -13.60 -37.23 -29.55 -16.07 -38.88 -30.07 -16.57 -39.86 -28.70 -14.80 -39.04 -27.20 -15.18 -39.01 2 0 14.33-999 ?-999 ?-999 ? CL CL D 145 mPHE~A 110 -29.68 -16.58 -37.65 -29.19 -16.07 -36.94 -31.94 -17.63 -37.80 -32.56 -18.61 -38.22 -30.48 -17.79 -37.40 -30.57 -18.26 -35.94 3 0 16.38-999 ?-999 ?-999 ? CL CL D 145 mPHE~A 111 -32.51 -16.44 -37.62 -31.91 -15.73 -37.25 -34.19 -15.42 -39.20 -35.33 -15.09 -39.49 -33.93 -16.23 -37.94 -34.64 -15.66 -36.72 3 0 18.70-999 ?-999 ?-999 ? CL CL D 145 mGLY.A 112 -33.14 -15.15 -39.97 -32.28 -15.51 -39.61 -33.81 -13.01 -41.06 -34.55 -12.56 -41.90 -33.24 -14.40 -41.22-999.99-999.99-999.99 1 0 18.91-999 ?-999 ?-999 ? CL CL D 145 mILE.A 113 -33.47 -12.34 -39.97 -32.86 -12.85 -39.36 -32.90 -10.01 -40.18 -31.71 -10.23 -39.97 -33.94 -10.99 -39.69 -34.13 -10.81 -38.17 3 0 18.13-999 ?-999 ?-999 ? CL CL D 145 mLYS~A 114 -33.35 -8.94 -40.85 -34.34 -8.93 -40.98 -32.67 -6.64 -40.49 -33.69 -6.52 -39.81 -32.44 -7.90 -41.34 -32.63 -7.66 -42.84 2 0 17.62-999 ?-999 ?-999 ? CL CL D 145 mARG~A 115 -31.73 -5.70 -40.54 -30.97 -5.88 -41.16 -33.14 -3.69 -40.02 -33.73 -3.10 -39.10 -31.87 -4.48 -39.71 -30.65 -3.56 -39.78 2 0 16.89-999 ?-999 ?-999 ? CL CL D 145 mGLU~A 116 -33.57 -3.69 -41.28 -33.00 -4.20 -41.92 -36.04 -3.55 -41.00 -37.03 -2.84 -40.81 -34.79 -2.98 -41.68 -34.95 -3.06 -43.20 2 0 20.70-999 ?-999 ?-999 ? CL CL D 145 mASP~A 117 -35.97 -4.82 -40.60 -35.10 -5.27 -40.82 -37.17 -5.11 -38.44 -38.18 -5.38 -37.80 -37.06 -5.49 -39.92 -36.85 -7.00 -40.01 2 0 21.29-999 ?-999 ?-999 ? CL CL D 145 mLEU~A 118 -36.13 -4.48 -37.89 -35.39 -4.26 -38.53 -36.76 -2.82 -36.14 -36.76 -1.92 -36.97 -36.10 -4.15 -36.47 -34.65 -4.14 -35.99 3 0 19.58-999 ?-999 ?-999 ? CL CL D 145 mALA.A 119 -37.30 -2.71 -34.93 -37.25 -3.54 -34.38 -36.90 -0.32 -34.53 -35.67 -0.53 -34.39 -37.92 -1.47 -34.45 -38.43 -1.63 -33.02 2 0 21.72-999 ?-999 ?-999 ? CL CL D 145 mGLU.A 120 -37.41 0.89 -34.71 -38.41 0.90 -34.72 -35.72 2.38 -33.67 -34.64 2.95 -33.81 -36.59 2.09 -34.88 -37.48 3.32 -35.13 2 0 22.14-999 ?-999 ?-999 ? CL CL D 145 mPHE.A 121 -36.18 1.97 -32.50 -37.03 1.45 -32.54 -34.23 1.42 -31.05 -33.58 1.58 -30.04 -35.48 2.27 -31.28 -36.47 2.27 -30.10 3 0 21.05-999 ?-999 ?-999 ? CL CL D 145 mVAL.A 122 -33.91 0.51 -31.97 -34.57 0.42 -32.72 -31.56 0.64 -32.28 -31.59 1.25 -33.35 -32.69 -0.27 -31.86 -32.71 -1.51 -32.76 3 0 17.33-999 ?-999 ?-999 ? CL CL D 145 mASP.A 123 -30.56 0.76 -31.43 -30.67 0.20 -30.61 -28.35 0.95 -32.52 -27.73 1.59 -33.34 -29.42 1.61 -31.67 -28.83 2.05 -30.31 2 0 15.85-999 ?-999 ?-999 ? CL CL D 145 mASP^A 124 -28.12 -0.34 -32.35 -28.69 -0.80 -31.66 -27.24 -2.49 -33.09 -27.93 -3.03 -32.25 -27.09 -0.99 -33.13 -25.70 -0.61 -32.58 2 0 12.47-999 ?-999 ?-999 ? CL CL D 145 mVAL^A 125 -26.58 -3.15 -34.05 -26.10 -2.55 -34.68 -25.14 -4.98 -33.82 -24.20 -4.46 -34.43 -26.56 -4.60 -34.18 -26.87 -5.10 -35.62 3 0 10.20-999 ?-999 ?-999 ? CL CL D 145 mVAL^A 126 -24.99 -5.85 -32.83 -25.84 -6.23 -32.46 -23.62 -7.66 -31.94 -24.63 -8.36 -31.88 -23.68 -6.19 -32.32 -23.37 -5.34 -31.07 3 0 6.62-999 ?-999 ?-999 ? CL CL D 145 mGLY~A 127 -22.40 -8.10 -31.70 -21.69 -7.42 -31.87 -21.91 -9.47 -29.74 -21.89 -8.45 -29.04 -22.15 -9.44 -31.24-999.99-999.99-999.99 1 0 4.35-999 ?-999 ?-999 ? CL CL D 145 mVAL~A 128 -21.70 -10.70 -29.26 -21.68 -11.38 -29.99 -20.42 -10.33 -27.14 -20.63 -9.83 -26.06 -21.50 -11.04 -27.85 -21.20 -12.59 -27.68 3 0 5.58-999 ?-999 ?-999 ? CL CL D 145 mALA~A 129 -19.24 -10.31 -27.71 -19.17 -10.78 -28.59 -18.47 -8.16 -26.79 -17.99 -7.54 -25.82 -18.16 -9.62 -27.03 -16.85 -9.69 -27.84 2 0 4.60-999 ?-999 ?-999 ? CL CL D 145 mTHR~A 130 -19.18 -7.57 -27.73 -19.44 -8.15 -28.50 -20.37 -6.00 -26.36 -20.14 -5.12 -25.55 -19.52 -6.17 -27.61 -20.19 -5.66 -28.90 2 0 5.28-999 ?-999 ?-999 ? CL CL D 145 mPHE~A 131 -21.32 -6.91 -26.18 -21.37 -7.49 -26.99 -21.44 -7.09 -23.71 -21.65 -6.38 -22.76 -22.21 -7.06 -24.96 -22.98 -8.45 -24.92 3 0 8.24-999 ?-999 ?-999 ? CL CL D 145 mLEU~A 132 -20.56 -8.05 -23.69 -20.49 -8.59 -24.52 -18.98 -7.06 -22.14 -18.76 -6.80 -20.95 -19.77 -8.27 -22.53 -18.72 -9.37 -22.79 3 0 9.32-999 ?-999 ?-999 ? CL CL D 145 mASP~A 133 -18.40 -6.39 -23.15 -18.56 -6.77 -24.06 -18.43 -4.14 -22.31 -18.04 -3.52 -21.35 -17.61 -5.22 -22.91 -17.09 -4.66 -24.23 2 0 9.55-999 ?-999 ?-999 ? CL CL D 145 mARG~A 134 -19.60 -3.90 -22.89 -19.78 -4.45 -23.71 -21.00 -3.18 -20.97 -21.10 -2.27 -20.15 -20.50 -2.88 -22.33 -21.73 -2.66 -23.24 2 0 11.26-999 ?-999 ?-999 ? C6 EPE A 145 mALA~A 135 -21.25 -4.45 -20.67 -21.08 -5.09 -21.42 -20.74 -4.83 -18.23 -21.10 -4.80 -17.04 -21.74 -4.83 -19.35 -22.31 -6.22 -19.41 2 0 7.91-999 ?-999 ?-999 ? O3S EPE A 145 mGLU~A 136 -19.48 -4.95 -18.58 -19.32 -4.94 -19.57 -18.45 -4.01 -16.56 -18.56 -2.86 -16.88 -18.42 -5.09 -17.62 -17.07 -5.01 -18.36 2 0 6.19-999 ?-999 ?-999 ? C6 EPE A 145 mGLY.A 137 -18.40 -4.41 -15.30 -18.37 -5.40 -15.18 -19.74 -3.11 -13.64 -19.79 -2.47 -12.61 -18.38 -3.49 -14.19-999.99-999.99-999.99 1 0 -3.78-999 ?-999 ?-999 ? C6 EPE A 145s mGLY.A 138 -20.83 -3.49 -14.29 -20.66 -3.99 -15.14 -22.92 -4.43 -13.38 -22.37 -5.53 -13.43 -22.16 -3.16 -13.75-999.99-999.99-999.99 1 0 -4.55-999 ?-999 ?-999 ? C6 EPE A 145s mTHR^A 139 -24.19 -4.28 -13.04 -24.51 -3.33 -12.99 -25.48 -5.93 -14.11 -25.86 -5.15 -14.99 -25.04 -5.41 -12.78 -26.22 -4.93 -11.93 2 0 -3.44-999 ?-999 ?-999 ? O1S EPE A 145s mTHR^A 140 -25.45 -7.25 -14.28 -25.13 -7.74 -13.46 -26.75 -9.06 -15.30 -26.50 -9.83 -14.37 -25.84 -7.90 -15.56 -24.61 -8.41 -16.36 2 0 -3.87-999 ?-999 ?-999 ? O1S EPE A 145s mLEU^A 141 -27.84 -9.11 -16.07 -27.85 -8.38 -16.75 -29.20 -10.78 -17.25 -29.07 -10.14 -18.29 -28.92 -10.12 -15.93 -30.22 -9.46 -15.48 3 0 3.85-999 ?-999 ?-999 ? CL CL A 144 mPHE^A 142 -29.60 -12.05 -17.19 -29.55 -12.43 -16.27 -31.52 -13.16 -18.04 -31.82 -13.84 -17.02 -30.06 -12.82 -18.34 -29.23 -14.10 -18.50 3 0 -4.02-999 ?-999 ?-999 ? CL CL A 144s mILE^A 143 -32.40 -12.64 -18.89 -31.97 -12.14 -19.65 -34.44 -13.52 -19.97 -34.29 -13.07 -21.13 -33.83 -12.77 -18.76 -34.51 -11.38 -18.62 3 0 6.54-999 ?-999 ?-999 ? CL CL A 144 mLYS.B 6 -7.78 -9.61 -15.02 -7.40 -9.05 -14.28 -9.90 -10.60 -16.13 -10.49 -10.91 -15.11 -8.35 -10.46 -16.14 -7.72 -11.86 -16.14 2 0 12.17-999 ?-999 ?-999 ? C3 EPE A 145 mLYS.B 7 -10.50 -10.40 -17.29 -9.88 -10.20 -18.04 -12.46 -11.87 -17.20 -11.84 -12.86 -17.57 -11.94 -10.44 -17.46 -12.29 -9.94 -18.86 2 0 10.46-999 ?-999 ?-999 ? C6 EPE A 145 mLYS^B 8 -13.61 -11.96 -16.55 -14.04 -11.08 -16.36 -15.69 -13.29 -16.41 -16.38 -12.31 -16.20 -14.20 -13.24 -16.16 -13.90 -13.45 -14.67 2 0 9.42-999 ?-999 ?-999 ? C9 EPE A 145 mLEU^B 9 -16.16 -14.43 -16.93 -15.44 -15.09 -17.18 -17.89 -16.05 -16.47 -17.16 -17.04 -16.71 -17.57 -14.71 -17.13 -17.89 -14.84 -18.61 3 0 8.01-999 ?-999 ?-999 ? O3S EPE A 145 mSER^B 10 -18.92 -16.08 -15.62 -19.37 -15.20 -15.48 -20.80 -17.46 -15.28 -21.55 -16.49 -15.29 -19.33 -17.30 -14.97 -19.08 -17.26 -13.45 2 0 8.30-999 ?-999 ?-999 ? O3S EPE A 145 mILE^B 11 -21.20 -18.68 -15.62 -20.47 -19.37 -15.63 -23.07 -20.17 -15.19 -22.39 -21.19 -15.19 -22.59 -18.96 -15.95 -22.77 -19.32 -17.45 3 0 8.28-999 ?-999 ?-999 ? CL CL A 144 mILE^B 12 -24.21 -20.04 -14.51 -24.54 -19.09 -14.47 -25.85 -21.68 -15.00 -26.83 -21.02 -15.39 -24.90 -21.17 -13.90 -25.66 -20.77 -12.62 3 0 8.46-999 ?-999 ?-999 ? CL CL A 144 mVAL^B 13 -25.53 -22.85 -15.55 -24.74 -23.29 -15.14 -27.33 -24.33 -16.01 -27.10 -25.51 -15.72 -26.29 -23.43 -16.65 -25.40 -24.24 -17.57 3 0 10.23-999 ?-999 ?-999 ? CL CL A 144 mPHE.B 14 -28.47 -23.74 -15.73 -28.50 -22.77 -15.98 -30.51 -25.14 -16.11 -31.03 -26.23 -15.87 -29.58 -24.44 -15.11 -30.37 -23.41 -14.33 3 0 10.73-999 ?-999 ?-999 ? CL CL A 144 mSER.B 15 -30.75 -24.46 -17.21 -30.24 -23.60 -17.27 -31.08 -26.03 -19.10 -29.89 -26.15 -19.24 -31.66 -24.94 -18.24 -32.11 -23.78 -19.11 2 0 12.10-999 ?-999 ?-999 ? CL CL A 144 mGLY.B 16 -31.96 -26.82 -19.71 -32.91 -26.57 -19.56 -32.12 -28.00 -21.91 -31.95 -29.00 -22.58 -31.54 -27.94 -20.51-999.99-999.99-999.99 1 0 15.61-999 ?-999 ?-999 ? CL CL A 144 mTHR~B 17 -32.81 -26.95 -22.33 -32.88 -26.21 -21.67 -32.34 -26.39 -24.63 -31.47 -25.60 -24.26 -33.39 -26.92 -23.67 -34.72 -26.10 -23.77 2 0 16.62-999 ?-999 ?-999 ? CL CL A 144 mILE~B 18 -32.43 -26.79 -25.87 -33.23 -27.36 -26.06 -31.33 -24.90 -27.08 -30.23 -24.36 -27.31 -31.43 -26.42 -26.86 -31.64 -27.17 -28.19 3 0 17.81-999 ?-999 ?-999 ? CL CL A 144 mASP~B 19 -32.47 -24.22 -26.99 -33.29 -24.75 -26.79 -31.74 -22.05 -26.10 -31.39 -20.92 -26.30 -32.47 -22.78 -27.20 -33.88 -22.19 -27.39 2 0 15.92-999 ?-999 ?-999 ? CL CL A 144 mLYS~B 20 -31.56 -22.67 -24.94 -32.00 -23.57 -24.89 -29.33 -22.54 -23.86 -28.42 -21.78 -23.56 -30.77 -22.05 -23.86 -31.43 -22.24 -22.50 2 0 12.58-999 ?-999 ?-999 ? CL CL A 144 mLEU~B 21 -29.10 -23.77 -24.29 -29.92 -24.29 -24.55 -26.96 -23.63 -25.46 -25.75 -23.48 -25.31 -27.77 -24.30 -24.36 -27.81 -25.81 -24.53 3 0 14.42-999 ?-999 ?-999 ? CL CL A 144 mMETB 22 -27.59 -23.23 -26.56 -28.56 -23.45 -26.60 -26.20 -21.22 -27.12 -25.02 -20.99 -27.38 -26.86 -22.53 -27.62 -27.72 -22.24 -28.83 2 0 15.83-999 ?-999 ?-999 ? CL CL A 144 mPRO~B 23 -26.97 -20.34 -26.46 -27.94 -20.57 -26.41 -25.19 -19.42 -24.95 -24.24 -18.67 -24.96 -26.38 -19.14 -25.87 -27.52 -18.54 -25.05 3 0 12.74-999 ?-999 ?-999 ? CL CL A 144 mVAL~B 24 -25.27 -20.49 -24.16 -26.14 -20.99 -24.20 -22.94 -21.14 -24.15 -21.87 -20.63 -23.85 -24.18 -20.87 -23.30 -24.55 -22.11 -22.43 3 0 12.19-999 ?-999 ?-999 ? CL CL A 144 mGLY~B 25 -23.08 -21.92 -25.21 -24.00 -22.29 -25.34 -21.43 -20.95 -26.76 -20.23 -20.74 -26.79 -21.98 -22.22 -26.09-999.99-999.99-999.99 1 0 14.76-999 ?-999 ?-999 ? CL CL D 145 mILE~B 26 -22.33 -20.10 -27.24 -23.28 -20.37 -27.07 -21.23 -17.92 -27.00 -20.20 -17.34 -27.34 -21.94 -18.88 -27.95 -23.17 -18.17 -28.59 3 0 11.16-999 ?-999 ?-999 ? CL CL D 145 mLEU~B 27 -21.78 -17.74 -25.82 -22.64 -18.23 -25.66 -19.77 -17.41 -24.46 -18.81 -16.66 -24.35 -21.14 -16.85 -24.85 -21.99 -16.73 -23.59 3 0 10.75-999 ?-999 ?-999 ? CL CL D 145 mTHR~B 28 -19.71 -18.70 -24.22 -20.56 -19.20 -24.37 -17.38 -19.19 -24.85 -16.26 -18.83 -24.58 -18.46 -19.33 -23.79 -18.68 -20.80 -23.39 2 0 12.82-999 ?-999 ?-999 ? CL CL D 145 mSER~B 29 -17.75 -19.47 -26.08 -18.72 -19.71 -26.18 -16.35 -18.00 -27.40 -15.15 -17.78 -27.55 -16.84 -19.42 -27.17 -17.53 -19.96 -28.42 2 0 11.20-999 ?-999 ?-999 ? CL CL D 145 mGLY~B 30 -17.26 -17.04 -27.43 -18.19 -17.36 -27.29 -16.05 -15.07 -26.52 -15.05 -14.38 -26.73 -16.89 -15.62 -27.66-999.99-999.99-999.99 1 0 7.61-999 ?-999 ?-999 ? CL CL D 145 mALA~B 31 -16.43 -15.39 -25.30 -17.25 -15.96 -25.25 -14.27 -15.50 -24.17 -13.27 -14.82 -23.89 -15.67 -14.91 -24.16 -16.39 -15.23 -22.83 2 0 9.64-999 ?-999 ?-999 ? CL CL D 145 mALA~B 32 -14.17 -16.79 -24.45 -15.04 -17.26 -24.63 -11.96 -16.84 -25.57 -10.77 -16.60 -25.33 -12.85 -17.44 -24.50 -12.99 -18.93 -24.73 2 0 11.97-999 ?-999 ?-999 ? CL CL D 145 mALA~B 33 -12.53 -16.60 -26.76 -13.50 -16.88 -26.82 -11.36 -14.60 -27.49 -10.31 -14.17 -27.93 -11.81 -16.00 -27.86 -12.67 -15.95 -29.14 2 0 9.83-999 ?-999 ?-999 ? CL CL D 145 mSER~B 34 -12.15 -13.89 -26.69 -12.99 -14.36 -26.43 -10.76 -12.51 -25.12 -10.39 -11.44 -24.66 -11.81 -12.54 -26.23 -13.04 -11.83 -25.68 2 0 8.73-999 ?-999 ?-999 ? CL CL D 145 mGLY.B 35 -10.32 -13.67 -24.64 -10.70 -14.48 -25.09 -9.94 -13.78 -22.13 -9.21 -13.64 -21.17 -9.37 -13.72 -23.55-999.99-999.99-999.99 1 0 12.52-999 ?-999 ?-999 ? CL CL D 145 mTYR.B 36 -11.23 -13.97 -22.00 -11.71 -13.99 -22.88 -11.56 -15.48 -20.03 -11.25 -16.48 -20.67 -11.88 -14.12 -20.70 -13.40 -14.10 -20.86 3 0 13.36-999 ?-999 ?-999 ? CL CL D 145 mGLU^B 37 -11.62 -15.49 -18.70 -11.64 -14.58 -18.28 -13.17 -17.04 -17.92 -13.98 -16.20 -17.61 -11.68 -16.71 -17.94 -11.21 -16.47 -16.50 2 0 13.78-999 ?-999 ?-999 ? O3S EPE A 145 mVAL^B 38 -13.56 -18.25 -18.29 -12.81 -18.84 -18.58 -15.16 -19.83 -17.32 -14.46 -20.82 -17.38 -14.97 -18.66 -18.27 -15.49 -19.05 -19.65 3 0 12.70-999 ?-999 ?-999 ? O3S EPE A 145 mASN^B 39 -16.12 -19.69 -16.43 -16.56 -18.79 -16.46 -17.95 -21.16 -15.75 -18.82 -20.32 -15.70 -16.50 -20.75 -15.49 -16.43 -20.24 -14.07 2 0 12.70-999 ?-999 ?-999 ? O3S EPE A 145 mLEU^B 40 -18.19 -22.43 -16.05 -17.39 -23.02 -16.12 -19.90 -23.85 -15.10 -19.09 -24.73 -14.74 -19.53 -22.91 -16.24 -19.66 -23.64 -17.58 3 0 13.20-999 ?-999 ?-999 ? CL CL A 144 mPHE^B 41 -21.09 -23.68 -14.56 -21.62 -22.93 -14.98 -22.92 -25.14 -13.88 -24.00 -24.50 -13.89 -21.59 -24.50 -13.48 -21.77 -23.64 -12.23 3 0 13.04-999 ?-999 ?-999 ? CL CL A 144 mPHE^B 42 -22.86 -26.42 -14.24 -21.95 -26.82 -14.15 -24.80 -27.71 -13.54 -24.26 -28.48 -12.74 -24.01 -27.14 -14.71 -23.55 -28.25 -15.66 3 0 14.25-999 ?-999 ?-999 ? CL CL A 144 mTHR~B 43 -26.06 -27.32 -13.45 -26.37 -26.74 -14.21 -28.31 -28.06 -12.89 -28.67 -27.68 -13.99 -26.93 -27.71 -12.36 -27.01 -26.54 -11.36 2 0 14.28-999 ?-999 ?-999 ? CL CL A 144 mPHE~B 44 -29.08 -28.79 -12.09 -28.66 -29.00 -11.21 -30.50 -29.76 -13.94 -29.83 -30.71 -14.29 -30.41 -29.24 -12.50 -31.46 -28.17 -12.20 3 0 15.72-999 ?-999 ?-999 ? CL CL A 144 mTRP~B 45 -31.28 -29.10 -14.80 -31.69 -28.27 -14.44 -30.23 -29.49 -16.98 -30.02 -30.27 -17.91 -31.49 -29.60 -16.14 -32.65 -28.88 -16.81 3 0 16.14-999 ?-999 ?-999 ? CL CL A 144 mGLY~B 46 -29.39 -28.51 -16.67 -29.68 -27.91 -15.92 -27.21 -29.49 -17.10 -26.49 -29.94 -17.98 -28.15 -28.34 -17.39-999.99-999.99-999.99 1 0 14.88-999 ?-999 ?-999 ? CL CL A 144 mLEU~B 47 -27.19 -29.96 -15.86 -27.80 -29.49 -15.22 -26.78 -32.32 -16.27 -25.96 -33.09 -16.77 -26.33 -31.07 -15.50 -26.38 -31.30 -14.00 3 0 17.54-999 ?-999 ?-999 ? CL CL A 144 mGLN~B 48 -28.09 -32.50 -16.40 -28.65 -31.79 -15.96 -28.12 -33.59 -18.57 -27.80 -34.61 -19.16 -28.65 -33.63 -17.13 -30.19 -33.55 -17.09 2 0 20.05-999 ?-999 ?-999 ? CL CL A 144 mALA~B 49 -28.02 -32.39 -19.12 -28.30 -31.65 -18.51 -26.09 -32.57 -20.75 -25.72 -32.83 -21.89 -27.56 -32.18 -20.49 -27.81 -30.73 -20.89 2 0 19.40-999 ?-999 ?-999 ? CL CL A 144 mILE~B 50 -25.26 -32.60 -19.70 -25.69 -32.35 -18.83 -23.56 -34.39 -19.39 -22.40 -34.75 -19.19 -23.85 -32.96 -19.84 -22.88 -31.96 -19.13 3 0 20.54-999 ?-999 ?-999 ? CL CL A 144 mTHR~B 51 -24.60 -35.21 -19.21 -25.51 -34.78 -19.30 -24.10 -37.25 -20.27 -24.61 -36.79 -21.30 -24.39 -36.62 -18.92 -25.60 -37.31 -18.27 2 0 23.71-999 ?-999 ?-999 ? CL CL A 144 mLYS~B 52 -23.23 -38.25 -20.27 -22.85 -38.45 -19.37 -24.12 -39.54 -22.17 -24.21 -39.54 -23.39 -22.88 -38.98 -21.49 -21.90 -40.11 -21.18 2 0 26.84-999 ?-999 ?-999 ? CL CL A 144 mARG~B 53 -25.08 -40.03 -21.37 -24.87 -40.00 -20.39 -27.08 -39.49 -22.71 -27.55 -39.75 -23.80 -26.32 -40.55 -21.94 -27.20 -41.22 -20.89 2 0 27.91-999 ?-999 ?-999 ? CL CL A 144 mSER~B 54 -27.17 -38.28 -22.17 -26.72 -38.18 -21.28 -27.15 -36.76 -24.11 -27.76 -36.57 -25.17 -27.89 -37.22 -22.85 -28.11 -36.07 -21.90 2 0 24.90-999 ?-999 ?-999 ? CL CL A 144 mLEU~B 55 -25.83 -36.62 -24.01 -25.45 -36.84 -23.11 -25.02 -37.15 -26.30 -24.99 -36.72 -27.45 -25.01 -36.17 -25.13 -23.58 -35.89 -24.69 3 0 25.08-999 ?-999 ?-999 ? CL CL A 144 mASN~B 56 -25.07 -38.45 -26.01 -25.08 -38.65 -25.03 -26.51 -39.84 -27.54 -26.65 -40.62 -28.48 -25.10 -39.48 -27.06 -24.41 -40.76 -26.59 2 0 28.84-999 ?-999 ?-999 ? CL CL A 144 mSER~B 57 -27.54 -39.28 -26.92 -27.28 -38.65 -26.18 -29.21 -39.26 -28.75 -28.74 -38.26 -29.29 -28.93 -39.57 -27.29 -29.90 -38.77 -26.42 2 0 28.78-999 ?-999 ?-999 ? CL CL A 144 mGLN.B 58 -29.98 -40.15 -29.37 -30.25 -40.92 -28.80 -31.66 -39.13 -30.83 -32.02 -38.64 -31.90 -30.39 -39.99 -30.76 -30.63 -41.36 -31.41 2 0 30.86-999 ?-999 ?-999 ? CL CL A 144 mGLN.B 59 -32.32 -38.92 -29.68 -31.89 -39.34 -28.88 -33.32 -36.67 -29.99 -32.33 -36.08 -29.54 -33.56 -38.15 -29.63 -34.23 -38.26 -28.25 2 0 29.04-999 ?-999 ?-999 ? CL CL A 144 mPRO.B 60 -34.23 -36.08 -30.80 -35.00 -36.65 -31.06 -34.07 -33.68 -30.09 -34.91 -33.79 -29.20 -34.07 -34.68 -31.26 -35.29 -34.46 -32.17 3 0 27.25-999 ?-999 ?-999 ? CL CL A 144 mPRO.B 61 -33.14 -32.70 -30.11 -32.55 -32.70 -30.93 -34.35 -31.05 -28.64 -35.20 -30.84 -29.51 -33.02 -31.71 -29.01 -32.03 -30.67 -29.55 3 0 23.40-999 ?-999 ?-999 ? CL CL A 144 mGLN.B 62 -34.52 -30.73 -27.36 -33.74 -30.89 -26.77 -35.77 -28.64 -26.91 -34.93 -28.04 -26.25 -35.79 -30.17 -26.91 -36.14 -30.68 -25.51 2 0 21.66-999 ?-999 ?-999 ? CL CL A 144 mILE.B 63 -36.66 -28.03 -27.68 -37.20 -28.65 -28.25 -37.83 -26.24 -26.58 -38.71 -27.05 -26.25 -36.83 -26.58 -27.68 -37.42 -26.05 -29.02 3 0 19.98-999 ?-999 ?-999 ? CL CL A 144 mASP~B 64 -37.69 -25.05 -26.00 -36.89 -24.53 -26.32 -40.04 -24.63 -25.59 -40.28 -24.14 -26.68 -38.63 -24.56 -25.00 -38.28 -23.12 -24.63 2 0 17.89-999 ?-999 ?-999 ? CL CL A 144 mLYS~B 65 -40.96 -25.27 -24.87 -40.63 -25.66 -24.01 -42.99 -24.01 -25.62 -43.92 -23.94 -26.41 -42.33 -25.36 -25.32 -43.19 -26.18 -24.33 2 0 20.76-999 ?-999 ?-999 ? CL CL A 144 mASN~B 66 -42.50 -22.94 -25.01 -41.75 -23.13 -24.38 -42.78 -21.12 -26.70 -43.51 -20.27 -27.20 -43.04 -21.61 -25.27 -42.50 -20.61 -24.23 2 0 19.39-999 ?-999 ?-999 ? CL CL A 144 mTYR~B 67 -41.77 -21.69 -27.35 -41.30 -22.41 -26.84 -41.28 -22.47 -29.68 -40.48 -22.45 -30.61 -41.38 -21.28 -28.70 -40.06 -20.49 -28.62 3 0 20.29-999 ?-999 ?-999 ? CL CL A 144 mGLU~B 68 -42.10 -23.50 -29.48 -42.69 -23.38 -28.67 -42.31 -24.35 -31.85 -41.61 -24.91 -32.71 -42.13 -24.67 -30.36 -43.29 -25.61 -30.00 2 0 23.31-999 ?-999 ?-999 ? CL CL A 144 mGLN~B 69 -43.28 -23.48 -32.15 -43.77 -23.13 -31.35 -42.36 -22.57 -34.28 -42.24 -22.77 -35.48 -43.59 -23.09 -33.53 -44.73 -22.08 -33.57 2 0 25.73-999 ?-999 ?-999 ? CL CL A 144 mMETB 70 -41.44 -21.93 -33.55 -41.68 -21.87 -32.58 -39.00 -22.30 -34.13 -37.94 -21.95 -34.65 -40.20 -21.36 -34.10 -39.80 -20.16 -33.25 2 0 23.80-999 ?-999 ?-999 ? CL CL A 144 mGLY.B 71 -39.15 -23.48 -33.55 -40.06 -23.63 -33.18 -37.43 -24.85 -34.77 -36.23 -24.67 -34.97 -38.06 -24.44 -33.46-999.99-999.99-999.99 1 0 23.54-999 ?-999 ?-999 ? CL CL A 144 mPRO.B 72 -38.24 -25.44 -35.68 -39.20 -25.54 -35.42 -36.90 -24.81 -37.73 -35.85 -25.11 -38.28 -37.68 -25.89 -36.96 -38.90 -26.38 -37.76 3 0 26.50-999 ?-999 ?-999 ? CL CL D 145 mILE.B 73 -37.41 -23.57 -37.75 -38.28 -23.47 -37.27 -35.27 -22.39 -37.95 -34.33 -22.31 -38.75 -36.70 -22.47 -38.43 -37.30 -21.09 -38.13 3 0 24.08-999 ?-999 ?-999 ? CL CL D 145 mMETB 74 -35.11 -22.42 -36.63 -35.96 -22.51 -36.12 -32.93 -23.55 -36.32 -31.77 -23.40 -36.73 -33.80 -22.33 -36.01 -33.95 -22.17 -34.50 2 0 21.16-999 ?-999 ?-999 ? CL CL D 145 mMETB 75 -33.48 -24.75 -36.11 -34.43 -24.72 -35.80 -32.23 -26.07 -37.76 -31.06 -26.35 -38.02 -32.72 -25.98 -36.33 -33.55 -27.22 -36.00 2 0 22.94-999 ?-999 ?-999 ? CL CL D 145 mGLN.B 76 -33.15 -25.79 -38.67 -34.04 -25.54 -38.29 -31.78 -24.88 -40.47 -30.84 -25.24 -41.17 -32.89 -25.86 -40.10 -34.19 -25.55 -40.88 2 0 24.03-999 ?-999 ?-999 ? CL CL D 145 mLYS.B 77 -31.86 -23.65 -39.97 -32.61 -23.51 -39.31 -29.50 -22.82 -39.78 -28.50 -22.37 -40.35 -30.90 -22.61 -40.36 -31.47 -21.22 -40.05 2 0 20.70-999 ?-999 ?-999 ? CL CL D 145 mMETB 78 -29.42 -23.53 -38.66 -30.31 -23.81 -38.30 -27.45 -24.99 -38.72 -26.24 -24.93 -38.92 -28.15 -23.85 -38.02 -28.33 -24.24 -36.54 2 0 19.06-999 ?-999 ?-999 ? CL CL D 145 mGLN.B 79 -28.19 -26.05 -39.05 -29.15 -26.01 -38.77 -27.18 -26.70 -41.17 -26.20 -27.18 -41.73 -27.59 -27.17 -39.77 -28.53 -28.37 -39.86 2 0 22.04-999 ?-999 ?-999 ? CL CL D 145 mGLU.B 80 -27.92 -25.74 -41.71 -28.69 -25.46 -41.14 -26.33 -24.38 -42.99 -25.56 -24.42 -43.94 -27.65 -25.15 -43.02 -28.81 -24.21 -43.40 2 0 21.95-999 ?-999 ?-999 ? CL CL D 145 mMETB 81 -26.08 -23.68 -41.88 -26.82 -23.70 -41.21 -23.71 -23.88 -41.16 -22.57 -23.46 -41.05 -24.81 -22.95 -41.69 -24.97 -21.84 -40.63 2 0 18.45-999 ?-999 ?-999 ? CL CL D 145 mLYS.B 82 -24.06 -25.12 -40.82 -25.02 -25.33 -41.02 -22.64 -25.50 -38.90 -21.46 -25.59 -38.56 -23.14 -26.08 -40.21 -21.95 -26.40 -41.14 2 0 19.70-999 ?-999 ?-999 ? CL CL D 145 mTYR.B 83 -23.55 -24.90 -38.15 -24.48 -24.92 -38.52 -22.88 -25.34 -35.86 -23.67 -26.25 -35.67 -23.19 -24.25 -36.90 -24.31 -23.33 -36.42 3 0 16.86-999 ?-999 ?-999 ? CL CL D 145 mPRO.B 84 -21.74 -25.23 -35.15 -21.18 -24.41 -35.32 -22.45 -26.45 -33.11 -23.17 -25.49 -32.78 -21.41 -26.29 -34.20 -20.09 -25.83 -33.55 3 0 17.68-999 ?-999 ?-999 ? CL CL D 145 mMETB 85 -22.53 -27.65 -32.54 -21.94 -28.35 -32.94 -22.89 -27.20 -30.19 -21.69 -26.93 -30.12 -23.44 -27.91 -31.42 -23.60 -29.41 -31.18 2 0 19.55-999 ?-999 ?-999 ? CL CL D 145 mTRP.B 86 -23.76 -26.90 -29.25 -24.69 -27.22 -29.43 -22.20 -26.75 -27.29 -21.31 -26.04 -26.84 -23.39 -26.15 -28.06 -24.63 -25.95 -27.17 3 0 18.21-999 ?-999 ?-999 ? CL CL D 145 mHIS.B 87 -22.18 -28.07 -27.17 -22.94 -28.55 -27.62 -19.75 -28.70 -27.17 -18.72 -28.66 -26.51 -21.09 -28.74 -26.44 -21.48 -30.17 -26.04 3 0 20.49-999 ?-999 ?-999 ? CL CL D 145 mGLN.B 88 -19.79 -28.68 -28.50 -20.71 -28.76 -28.87 -18.01 -27.16 -29.15 -16.80 -26.99 -29.12 -18.58 -28.56 -29.33 -18.91 -28.82 -30.80 2 0 19.53-999 ?-999 ?-999 ? CL CL D 145 mLEU.B 89 -18.89 -26.16 -29.05 -19.84 -26.43 -29.16 -17.75 -24.70 -27.45 -16.73 -24.03 -27.30 -18.47 -24.79 -28.80 -19.69 -23.85 -28.81 3 0 15.87-999 ?-999 ?-999 ? CL CL D 145 mVAL.B 90 -18.30 -25.38 -26.44 -19.14 -25.88 -26.67 -16.30 -26.07 -25.17 -15.31 -25.51 -24.69 -17.68 -25.38 -25.13 -18.58 -26.03 -24.04 3 0 17.44-999 ?-999 ?-999 ? CL CL D 145 mGLN.B 91 -16.23 -27.25 -25.77 -17.08 -27.57 -26.18 -13.92 -27.22 -26.62 -12.77 -27.17 -26.22 -14.98 -27.98 -25.82 -15.21 -29.41 -26.35 2 0 19.88-999 ?-999 ?-999 ? CL CL D 145 mGLN.B 92 -14.31 -26.62 -27.75 -15.27 -26.77 -27.98 -12.88 -24.63 -27.75 -11.71 -24.28 -27.81 -13.38 -25.82 -28.56 -14.05 -25.33 -29.86 2 0 17.49-999 ?-999 ?-999 ? CL CL D 145 mALA.B 93 -13.77 -24.02 -26.98 -14.69 -24.40 -27.03 -12.35 -23.30 -25.14 -11.44 -22.53 -24.87 -13.41 -22.89 -26.14 -14.63 -22.36 -25.43 2 0 15.41-999 ?-999 ?-999 ? CL CL D 145 mLYS.B 94 -12.45 -24.51 -24.58 -13.25 -25.04 -24.87 -10.09 -25.07 -24.24 -9.10 -24.75 -23.58 -11.45 -24.99 -23.62 -11.80 -26.37 -23.05 2 0 18.82-999 ?-999 ?-999 ? CL CL D 145 mGLU.B 95 -10.05 -25.49 -25.50 -10.94 -25.70 -25.89 -8.20 -24.25 -26.53 -7.00 -24.05 -26.41 -8.79 -25.63 -26.25 -8.99 -26.43 -27.55 2 0 19.51-999 ?-999 ?-999 ? CL CL D 145 mILE.B 96 -9.05 -23.28 -26.86 -10.00 -23.58 -26.87 -8.29 -21.01 -25.99 -7.36 -20.22 -26.06 -8.60 -21.92 -27.18 -9.67 -21.11 -28.00 3 0 16.33-999 ?-999 ?-999 ? CL CL D 145 mGLY.B 97 -9.09 -21.10 -24.94 -9.78 -21.81 -25.01 -9.04 -20.92 -22.44 -8.85 -22.15 -22.33 -8.95 -20.22 -23.77-999.99-999.99-999.99 1 0 16.18-999 ?-999 ?-999 ? CL CL D 145 mGLU^B 98 -9.29 -20.13 -21.40 -9.44 -19.18 -21.65 -10.79 -20.88 -19.64 -11.48 -19.99 -19.14 -9.35 -20.63 -20.04 -8.69 -19.62 -19.12 2 0 18.35-999 ?-999 ?-999 ? CL CL D 145 mVAL^B 99 -11.26 -22.09 -19.87 -10.58 -22.73 -20.25 -12.68 -23.64 -18.66 -12.05 -24.66 -18.93 -12.64 -22.44 -19.60 -13.41 -22.80 -20.88 3 0 17.27-999 ?-999 ?-999 ? O3S EPE A 145 mLYS^B 100 -13.41 -23.52 -17.56 -13.83 -22.62 -17.46 -15.02 -24.96 -16.50 -15.88 -24.10 -16.41 -13.57 -24.59 -16.58 -13.10 -24.14 -15.21 2 0 17.62-999 ?-999 ?-999 ? O3S EPE A 145 mVAL^B 101 -15.29 -26.26 -16.55 -14.46 -26.82 -16.62 -16.81 -27.55 -15.19 -16.05 -28.47 -14.85 -16.64 -26.81 -16.50 -16.88 -27.75 -17.66 3 0 18.01-999 ?-999 ?-999 ? CL CL A 144 mPHE^B 102 -17.81 -27.11 -14.43 -18.33 -26.35 -14.83 -19.48 -28.28 -13.17 -20.36 -27.77 -13.84 -18.11 -27.68 -13.15 -18.11 -26.61 -12.08 3 0 17.68-999 ?-999 ?-999 ? CL CL A 144 mALA^B 103 -19.64 -29.37 -12.40 -18.80 -29.69 -11.96 -21.34 -29.78 -10.77 -20.52 -29.85 -9.84 -20.91 -30.03 -12.22 -20.78 -31.51 -12.52 2 0 18.29-999 ?-999 ?-999 ? CL CL A 144 mCYH^B 104 -22.62 -29.48 -10.59 -23.14 -29.42 -11.45 -23.42 -30.55 -8.50 -24.16 -31.41 -8.94 -23.20 -29.24 -9.27 -24.52 -28.51 -9.43 2 0 17.35-999 ?-999 ?-999 ? CL CL A 144 mSER~B 105 -22.78 -30.66 -7.34 -22.24 -29.85 -7.09 -24.28 -32.13 -5.95 -24.67 -33.28 -5.79 -22.88 -31.86 -6.52 -21.85 -31.80 -5.39 2 0 20.73-999 ?-999 ?-999 ? CL CL A 144 mTHR~B 106 -25.04 -31.08 -5.64 -24.63 -30.20 -5.84 -27.34 -31.90 -6.06 -28.07 -32.84 -5.73 -26.38 -31.28 -5.06 -27.00 -29.95 -4.59 2 0 20.12-999 ?-999 ?-999 ? CL CL A 144 mTHR~B 107 -27.37 -31.36 -7.27 -26.76 -30.57 -7.38 -27.86 -33.31 -8.62 -28.75 -34.11 -8.91 -28.22 -31.86 -8.33 -28.01 -31.13 -9.67 2 0 19.19-999 ?-999 ?-999 ? CL CL A 144 mMETB 108 -26.57 -33.64 -8.56 -25.95 -32.89 -8.32 -26.78 -36.00 -7.87 -27.13 -37.11 -8.27 -26.15 -35.01 -8.82 -24.63 -35.13 -8.81 2 0 22.21-999 ?-999 ?-999 ? CL CL A 144 mGLU~B 109 -26.95 -35.60 -6.61 -26.57 -34.70 -6.41 -29.11 -36.55 -5.98 -29.65 -37.63 -6.03 -27.63 -36.45 -5.63 -27.47 -35.90 -4.23 2 0 24.45-999 ?-999 ?-999 ? CL CL A 144 mPHE~B 110 -29.75 -35.42 -6.25 -29.18 -34.61 -6.19 -31.51 -36.31 -7.80 -32.56 -36.96 -7.79 -31.18 -35.41 -6.61 -31.65 -33.99 -7.00 3 0 23.21-999 ?-999 ?-999 ? CL CL A 144 mPHE~B 111 -30.67 -36.33 -8.83 -29.85 -35.77 -8.72 -30.22 -38.51 -10.06 -30.33 -39.25 -11.06 -30.97 -37.15 -10.02 -30.74 -36.36 -11.33 3 0 23.94-999 ?-999 ?-999 ? CL CL A 144 mGLY.B 112 -29.50 -38.83 -8.98 -29.56 -38.16 -8.24 -27.64 -40.17 -9.97 -27.41 -41.26 -10.49 -28.71 -40.06 -8.90-999.99-999.99-999.99 1 0 26.93-999 ?-999 ?-999 ? CL CL A 144 mILE.B 113 -26.99 -39.06 -10.30 -27.30 -38.25 -9.79 -24.58 -39.16 -10.61 -24.32 -38.49 -9.63 -25.93 -39.01 -11.30 -25.95 -37.65 -12.03 3 0 25.66-999 ?-999 ?-999 ? CL CL A 144 mLYS~B 114 -23.72 -40.03 -11.15 -24.07 -40.49 -11.96 -21.34 -39.60 -11.51 -21.64 -39.28 -12.66 -22.37 -40.26 -10.59 -22.11 -41.77 -10.43 2 0 27.60-999 ?-999 ?-999 ? CL CL A 144 mARG~B 115 -20.13 -39.37 -11.01 -20.02 -39.68 -10.06 -18.80 -39.43 -13.14 -18.58 -38.78 -14.18 -19.07 -38.72 -11.80 -17.75 -38.63 -11.00 2 0 26.99-999 ?-999 ?-999 ? CL CL A 144 mGLU~B 116 -18.83 -40.75 -13.12 -19.04 -41.14 -12.22 -19.65 -41.35 -15.39 -19.40 -41.66 -16.56 -18.58 -41.54 -14.31 -18.40 -43.03 -13.99 2 0 29.65-999 ?-999 ?-999 ? CL CL A 144 mASP~B 117 -20.83 -40.87 -15.00 -20.90 -40.69 -14.02 -21.72 -39.31 -16.68 -22.39 -39.07 -17.67 -21.91 -40.63 -15.94 -23.26 -40.57 -15.19 2 0 27.81-999 ?-999 ?-999 ? CL CL A 144 mLEU~B 118 -20.80 -38.47 -16.22 -20.26 -38.82 -15.46 -19.65 -37.09 -17.95 -18.76 -37.90 -18.03 -20.63 -37.13 -16.80 -20.21 -36.15 -15.71 3 0 24.90-999 ?-999 ?-999 ? CL CL A 144 mALA.B 119 -19.84 -36.12 -18.84 -20.64 -35.55 -18.66 -17.51 -35.74 -19.50 -17.26 -35.17 -18.43 -18.95 -35.91 -19.98 -19.38 -34.68 -20.76 2 0 24.88-999 ?-999 ?-999 ? CL CL A 144 mGLU.B 120 -16.56 -36.20 -20.32 -16.92 -36.59 -21.17 -14.68 -34.70 -19.76 -13.76 -34.46 -18.97 -15.14 -36.13 -19.99 -14.27 -36.71 -21.12 2 0 26.82-999 ?-999 ?-999 ? CL CL A 144 mPHE.B 121 -15.32 -33.74 -20.42 -16.08 -34.06 -20.99 -15.26 -31.65 -19.00 -14.92 -30.48 -18.81 -14.92 -32.34 -20.31 -15.33 -31.49 -21.52 3 0 23.95-999 ?-999 ?-999 ? CL CL A 144 mVAL.B 122 -15.92 -32.36 -18.09 -16.19 -33.28 -18.38 -14.90 -31.84 -16.01 -14.24 -32.87 -15.92 -16.21 -31.81 -16.78 -17.30 -32.59 -16.05 3 0 22.18-999 ?-999 ?-999 ? CL CL A 144 mASP.B 123 -14.53 -30.67 -15.48 -15.19 -29.94 -15.64 -13.40 -30.87 -13.27 -12.46 -31.43 -12.69 -13.28 -30.50 -14.75 -12.80 -29.05 -14.92 2 0 22.47-999 ?-999 ?-999 ? O2S EPE A 145 mASP^B 124 -14.54 -30.59 -12.65 -15.25 -30.17 -13.22 -16.16 -30.85 -10.81 -16.97 -30.25 -11.48 -14.69 -30.90 -11.23 -13.87 -29.88 -10.42 2 0 21.97-999 ?-999 ?-999 ? O2S EPE A 145 mVAL^B 125 -16.46 -31.51 -9.71 -15.68 -31.99 -9.31 -17.67 -30.64 -7.92 -16.83 -30.89 -7.05 -17.78 -31.54 -9.14 -18.16 -32.97 -8.69 3 0 21.68-999 ?-999 ?-999 ? CL CL A 144 mVAL^B 126 -18.51 -29.62 -7.82 -19.17 -29.54 -8.57 -19.77 -28.24 -6.20 -20.79 -28.47 -6.84 -18.42 -28.70 -6.68 -17.61 -27.40 -7.00 3 0 19.22-999 ?-999 ?-999 ? O2S EPE A 145 mGLY~B 127 -19.75 -27.61 -5.03 -18.85 -27.59 -4.59 -21.05 -25.54 -4.79 -20.17 -24.92 -5.37 -20.92 -27.02 -4.44-999.99-999.99-999.99 1 0 17.87-999 ?-999 ?-999 ? O2S EPE A 145 mVAL~B 128 -22.19 -25.00 -4.39 -22.78 -25.65 -3.90 -21.56 -22.59 -4.18 -21.20 -21.71 -4.94 -22.58 -23.62 -4.60 -23.92 -23.33 -3.79 3 0 14.58-999 ?-999 ?-999 ? O2S EPE A 145 mALA~B 129 -21.11 -22.70 -2.95 -21.47 -23.49 -2.44 -18.88 -21.66 -3.21 -18.31 -20.58 -3.41 -20.16 -21.74 -2.40 -19.83 -22.10 -0.98 2 0 14.50-999 ?-999 ?-999 ? O2S EPE A 145 mTHR~B 130 -18.43 -22.82 -3.68 -18.97 -23.62 -3.43 -17.46 -22.09 -5.79 -16.58 -21.37 -6.25 -17.23 -22.87 -4.50 -16.81 -24.32 -4.73 2 0 15.19-999 ?-999 ?-999 ? O2S EPE A 145 mPHE~B 131 -18.64 -22.21 -6.38 -19.24 -22.87 -5.92 -18.98 -19.96 -7.32 -18.42 -19.18 -8.07 -19.03 -21.45 -7.57 -20.47 -21.81 -7.98 3 0 12.15-999 ?-999 ?-999 ? O2S EPE A 145 mLEU~B 132 -19.64 -19.56 -6.25 -20.07 -20.30 -5.72 -18.35 -17.54 -5.76 -18.10 -16.41 -6.20 -19.73 -18.16 -5.89 -20.43 -18.00 -4.54 3 0 9.86-999 ?-999 ?-999 ? O2S EPE A 145 mASP~B 133 -17.46 -18.26 -5.11 -17.80 -19.14 -4.78 -15.39 -17.62 -6.24 -14.68 -16.64 -6.44 -16.13 -17.78 -4.90 -15.34 -18.69 -3.95 2 0 11.65-999 ?-999 ?-999 ? C2 EPE A 145 mARG~B 134 -15.55 -18.56 -7.15 -16.10 -19.35 -6.87 -15.58 -17.30 -9.30 -14.89 -16.69 -10.08 -14.94 -18.41 -8.47 -14.95 -19.70 -9.27 2 0 11.65-999 ?-999 ?-999 ? C2 EPE A 145 mALA~B 135 -16.88 -17.07 -9.15 -17.33 -17.65 -8.47 -17.32 -14.64 -9.49 -17.49 -13.68 -10.25 -17.57 -16.05 -9.94 -19.08 -16.31 -9.93 2 0 7.93-999 ?-999 ?-999 ? O2S EPE A 145 mGLU~B 136 -16.94 -14.51 -8.23 -16.81 -15.39 -7.77 -15.89 -12.26 -8.43 -14.80 -12.58 -8.86 -16.73 -13.23 -7.59 -16.02 -13.47 -6.25 2 0 6.50-999 ?-999 ?-999 ? C2 EPE A 145 mGLY.B 137 -16.41 -11.06 -8.64 -17.32 -10.90 -8.26 -15.84 -10.03 -10.87 -15.37 -9.12 -11.53 -15.65 -10.07 -9.36-999.99-999.99-999.99 1 0 3.85-999 ?-999 ?-999 ? C3 EPE A 145 mGLY.B 138 -16.51 -11.01 -11.45 -16.83 -11.72 -10.82 -18.18 -10.89 -13.22 -18.99 -10.69 -12.35 -16.71 -10.99 -12.90-999.99-999.99-999.99 1 0 -5.11-999 ?-999 ?-999 ? C9 EPE A 145s mTHR^B 139 -18.52 -11.02 -14.49 -17.74 -11.11 -15.11 -20.46 -12.40 -14.66 -19.83 -13.42 -15.00 -19.88 -11.02 -14.94 -19.96 -10.70 -16.40 2 0 -3.45-999 ?-999 ?-999 ? O3S EPE A 145s mTHR^B 140 -21.66 -12.44 -14.08 -22.07 -11.55 -13.90 -23.73 -13.76 -14.21 -24.53 -12.81 -13.96 -22.29 -13.72 -13.75 -22.17 -14.04 -12.25 2 0 -3.87-999 ?-999 ?-999 ? O3S EPE A 145s mLEU^B 141 -24.06 -14.88 -14.85 -23.31 -15.55 -14.91 -25.99 -16.43 -14.99 -25.28 -17.37 -14.69 -25.38 -15.11 -15.44 -25.33 -15.17 -16.97 3 0 3.85-999 ?-999 ?-999 ? CL CL A 144 mPHE^B 142 -27.30 -16.44 -14.86 -27.72 -15.54 -14.99 -28.92 -17.87 -15.83 -29.83 -17.09 -16.13 -28.07 -17.64 -14.58 -28.97 -17.43 -13.37 3 0 -3.99-999 ?-999 ?-999 ? CL CL A 144s mILE^B 143 -28.67 -18.98 -16.52 -27.94 -19.54 -16.12 -30.22 -20.63 -17.61 -29.68 -21.72 -17.36 -29.38 -19.34 -17.74 -28.38 -19.51 -18.91 3 0 6.44-999 ?-999 ?-999 ? CL CL A 144 mLYS.C 6 -16.48 -7.84 1.76 -15.50 -7.72 1.61 -18.59 -8.74 0.78 -19.05 -8.05 -0.14 -17.95 -8.03 1.99 -18.61 -6.66 2.22 2 0 9.75-999 ?-999 ?-999 ? O8 EPE A 145 mLYS.C 7 -18.61 -10.09 0.77 -18.22 -10.52 1.58 -20.67 -10.78 -0.30 -21.28 -10.85 0.76 -19.15 -10.85 -0.33 -18.65 -12.30 -0.22 2 0 9.57-999 ?-999 ?-999 ? C8 EPE A 145 mLYS^C 8 -21.27 -10.63 -1.47 -20.67 -10.68 -2.26 -23.31 -11.09 -2.77 -22.69 -11.12 -3.86 -22.71 -10.41 -1.55 -22.90 -8.90 -1.61 2 0 9.28-999 ?-999 ?-999 ? C2 EPE A 145 mLEU^C 9 -24.49 -11.66 -2.57 -24.80 -11.60 -1.62 -26.67 -11.74 -3.56 -27.27 -11.70 -2.50 -25.27 -12.31 -3.61 -25.39 -13.82 -3.34 3 0 8.08-999 ?-999 ?-999 ? O2S EPE A 145 mSER^C 10 -27.16 -11.26 -4.70 -26.52 -11.29 -5.47 -29.22 -11.50 -5.90 -28.63 -11.78 -6.93 -28.52 -10.74 -4.79 -28.48 -9.25 -5.05 2 0 8.34-999 ?-999 ?-999 ? O2S EPE A 145 mILE^C 11 -30.46 -11.91 -5.67 -30.80 -11.64 -4.77 -32.60 -12.09 -6.86 -33.28 -11.80 -5.87 -31.24 -12.69 -6.66 -31.49 -14.15 -6.21 3 0 8.35-999 ?-999 ?-999 ? CL CL A 144 mILE^C 12 -32.97 -11.85 -8.12 -32.23 -11.99 -8.78 -35.03 -12.72 -8.79 -34.68 -13.43 -9.73 -34.32 -11.41 -8.50 -34.32 -10.48 -9.72 3 0 8.50-999 ?-999 ?-999 ? CL CL A 144 mVAL^C 13 -35.95 -13.07 -7.91 -36.08 -12.38 -7.20 -38.00 -14.09 -8.72 -39.03 -13.73 -8.14 -36.71 -14.33 -7.96 -37.00 -14.85 -6.55 3 0 10.28-999 ?-999 ?-999 ? CL CL A 144 mPHE.C 14 -37.93 -14.26 -10.03 -37.04 -14.60 -10.35 -39.95 -15.21 -11.10 -41.17 -15.11 -11.16 -39.06 -13.98 -10.91 -38.54 -13.49 -12.27 3 0 10.83-999 ?-999 ?-999 ? CL CL A 144 mSER.C 15 -39.30 -16.36 -11.20 -38.31 -16.29 -11.10 -40.66 -18.17 -10.22 -40.25 -17.88 -9.11 -39.97 -17.62 -11.45 -38.99 -18.62 -12.00 2 0 12.16-999 ?-999 ?-999 ? CL CL A 144 mGLY.C 16 -41.69 -18.98 -10.46 -41.83 -19.15 -11.44 -42.67 -21.07 -9.44 -43.44 -21.61 -8.68 -42.53 -19.56 -9.41-999.99-999.99-999.99 1 0 15.72-999 ?-999 ?-999 ? CL CL A 144 mTHR~C 17 -41.94 -21.75 -10.32 -41.38 -21.18 -10.92 -41.00 -23.77 -9.38 -40.00 -23.15 -9.03 -41.99 -23.21 -10.39 -41.64 -23.74 -11.78 2 0 16.70-999 ?-999 ?-999 ? CL CL A 144 mILE~C 18 -41.28 -24.97 -8.92 -42.07 -25.40 -9.35 -39.03 -25.83 -8.29 -38.12 -25.67 -7.48 -40.48 -25.58 -7.87 -41.13 -26.89 -7.35 3 0 17.89-999 ?-999 ?-999 ? CL CL A 144 mASP~C 19 -38.83 -26.18 -9.55 -39.66 -26.25 -10.10 -36.64 -25.19 -10.06 -35.42 -25.29 -10.05 -37.49 -26.45 -10.05 -37.52 -27.12 -11.44 2 0 16.01-999 ?-999 ?-999 ? CL CL A 144 mLYS~C 20 -37.26 -24.01 -10.08 -38.26 -24.06 -10.16 -36.38 -22.24 -8.58 -35.39 -21.62 -8.23 -36.48 -22.77 -10.00 -37.01 -21.71 -10.97 2 0 12.67-999 ?-999 ?-999 ? CL CL A 144 mLEU~C 21 -37.38 -22.51 -7.75 -38.14 -23.02 -8.15 -36.31 -22.86 -5.59 -35.72 -22.31 -4.68 -37.33 -22.06 -6.38 -38.72 -22.10 -5.76 3 0 14.43-999 ?-999 ?-999 ? CL CL A 144 mMETC 22 -36.09 -24.14 -5.91 -36.66 -24.47 -6.66 -33.67 -24.31 -5.31 -32.98 -24.14 -4.31 -35.08 -24.95 -5.20 -35.06 -26.41 -5.69 2 0 15.88-999 ?-999 ?-999 ? CL CL A 144 mPRO~C 23 -33.20 -24.01 -6.53 -33.77 -24.30 -7.30 -31.84 -22.03 -5.79 -30.80 -21.74 -5.18 -31.92 -23.30 -6.66 -31.88 -22.92 -8.14 3 0 12.79-999 ?-999 ?-999 ? CL CL A 144 mVAL~C 24 -32.92 -21.27 -5.73 -33.69 -21.58 -6.29 -32.63 -20.45 -3.44 -31.84 -19.80 -2.77 -32.93 -20.07 -4.90 -34.27 -19.32 -4.96 3 0 12.27-999 ?-999 ?-999 ? CL CL A 144 mGLY~C 25 -33.29 -21.48 -2.94 -33.95 -21.91 -3.57 -31.63 -22.44 -1.38 -30.98 -22.14 -0.37 -33.04 -21.93 -1.59-999.99-999.99-999.99 1 0 15.93-999 ?-999 ?-999 ? CL CL A 144 mILE~C 26 -31.14 -23.22 -2.35 -31.76 -23.35 -3.12 -28.73 -22.73 -2.35 -27.76 -22.77 -1.61 -29.81 -23.80 -2.27 -29.59 -24.87 -3.38 3 0 15.94-999 ?-999 ?-999 ? CL CL A 144 mLEU~C 27 -28.89 -21.78 -3.26 -29.70 -21.88 -3.83 -27.93 -19.86 -2.11 -26.88 -19.50 -1.60 -27.93 -20.69 -3.37 -28.26 -19.77 -4.57 3 0 13.24-999 ?-999 ?-999 ? CL CL A 144 mTHR~C 28 -29.12 -19.54 -1.60 -29.90 -19.92 -2.10 -28.57 -19.35 0.79 -27.77 -18.74 1.47 -29.24 -18.71 -0.40 -30.68 -18.37 -0.07 2 0 14.78-999 ?-999 ?-999 ? O2S EPE A 145 mSER~C 29 -28.89 -20.61 1.00 -29.53 -20.98 0.32 -26.88 -21.55 2.05 -26.18 -21.33 3.02 -28.39 -21.41 2.10 -29.03 -22.79 2.02 2 0 17.89-999 ?-999 ?-999 ? O2S EPE A 145 mGLY~C 30 -26.36 -21.93 0.89 -27.04 -22.11 0.18 -24.17 -20.73 0.85 -23.11 -20.64 1.47 -24.90 -22.06 0.72-999.99-999.99-999.99 1 0 16.61-999 ?-999 ?-999 ? O2S EPE A 145 mALA~C 31 -24.71 -19.68 0.24 -25.55 -19.88 -0.26 -24.07 -17.91 1.78 -23.01 -17.52 2.28 -24.09 -18.38 0.32 -24.85 -17.40 -0.54 2 0 13.93-999 ?-999 ?-999 ? O2S EPE A 145 mALA~C 32 -25.21 -17.98 2.46 -25.98 -18.36 1.95 -24.30 -18.32 4.72 -23.61 -17.73 5.55 -25.29 -17.55 3.87 -26.69 -17.66 4.44 2 0 16.74-999 ?-999 ?-999 ? O2S EPE A 145 mALA~C 33 -24.21 -19.63 4.50 -24.81 -19.97 3.78 -21.83 -20.07 5.00 -20.98 -20.22 5.87 -23.29 -20.46 5.28 -23.53 -21.95 4.98 2 0 19.21-999 ?-999 ?-999 ? O2S EPE A 145 mSER~C 34 -21.54 -19.57 3.80 -22.32 -19.53 3.18 -19.88 -17.70 3.84 -18.83 -17.18 3.47 -20.19 -19.13 3.46 -19.93 -19.31 1.98 2 0 17.24-999 ?-999 ?-999 ? O2S EPE A 145 mGLY.C 35 -20.78 -17.04 4.55 -21.62 -17.54 4.74 -20.91 -14.58 4.02 -20.50 -13.45 4.19 -20.52 -15.68 4.99-999.99-999.99-999.99 1 0 16.82-999 ?-999 ?-999 ? C2 EPE A 145 mTYR.C 36 -21.71 -14.91 3.00 -21.91 -15.89 2.93 -23.44 -13.20 2.65 -24.22 -13.80 3.38 -22.23 -13.91 2.07 -22.67 -14.57 0.76 3 0 13.67-999 ?-999 ?-999 ? C2 EPE A 145 mGLU^C 37 -23.58 -11.92 2.32 -22.78 -11.52 1.88 -25.66 -11.59 1.37 -25.18 -11.63 0.23 -24.79 -11.18 2.58 -24.47 -9.69 2.59 2 0 13.92-999 ?-999 ?-999 ? O2S EPE A 145 mVAL^C 38 -26.91 -11.95 1.59 -27.18 -11.92 2.56 -29.03 -11.48 0.52 -29.61 -11.26 1.56 -27.80 -12.35 0.50 -28.27 -13.84 0.60 3 0 12.71-999 ?-999 ?-999 ? O2S EPE A 145 mASN^C 39 -29.42 -11.00 -0.66 -28.80 -11.26 -1.40 -31.48 -10.91 -1.90 -31.02 -11.22 -3.00 -30.60 -10.19 -0.87 -30.23 -8.85 -1.51 2 0 12.74-999 ?-999 ?-999 ? O2S EPE A 145 mLEU^C 40 -32.73 -11.14 -1.55 -32.95 -10.84 -0.62 -34.81 -10.78 -2.75 -35.36 -10.15 -1.84 -33.70 -11.77 -2.46 -34.32 -12.98 -1.79 3 0 13.21-999 ?-999 ?-999 ? CL CL A 144 mPHE^C 41 -35.16 -10.66 -4.02 -34.62 -11.23 -4.64 -37.27 -10.58 -5.17 -37.07 -10.99 -6.30 -36.22 -9.75 -4.45 -35.67 -8.70 -5.39 3 0 13.15-999 ?-999 ?-999 ? CL CL A 144 mPHE^C 42 -38.39 -10.84 -4.51 -38.45 -10.44 -3.59 -40.38 -10.81 -5.98 -41.03 -9.89 -5.49 -39.44 -11.66 -5.14 -40.18 -12.44 -4.12 3 0 14.33-999 ?-999 ?-999 ? CL CL A 144 mTHR~C 43 -40.47 -11.16 -7.25 -39.96 -11.98 -7.49 -42.09 -11.35 -9.08 -41.81 -12.53 -9.19 -41.25 -10.40 -8.20 -40.30 -9.49 -9.05 2 0 14.32-999 ?-999 ?-999 ? CL CL A 144 mPHE~C 44 -43.14 -10.82 -9.68 -43.26 -9.84 -9.50 -44.41 -12.97 -9.90 -44.95 -13.00 -8.81 -44.02 -11.61 -10.51 -43.45 -11.74 -11.92 3 0 15.82-999 ?-999 ?-999 ? CL CL A 144 mTRP~C 45 -44.04 -14.06 -10.55 -43.48 -13.92 -11.35 -43.78 -15.77 -8.78 -44.31 -16.54 -8.02 -44.47 -15.37 -10.08 -44.25 -16.42 -11.16 3 0 16.31-999 ?-999 ?-999 ? CL CL A 144 mGLY~C 46 -42.58 -15.26 -8.55 -42.21 -14.69 -9.28 -42.58 -14.87 -6.13 -42.57 -15.39 -5.02 -41.88 -15.54 -7.30-999.99-999.99-999.99 1 0 15.01-999 ?-999 ?-999 ? CL CL A 144 mLEU~C 47 -43.17 -13.70 -6.38 -43.07 -13.36 -7.31 -45.12 -13.81 -4.94 -45.44 -13.93 -3.77 -43.88 -13.00 -5.33 -44.30 -11.60 -5.79 3 0 17.65-999 ?-999 ?-999 ? CL CL A 144 mGLN~C 48 -45.80 -14.37 -5.93 -45.43 -14.16 -6.84 -46.57 -16.37 -4.80 -47.30 -16.76 -3.89 -46.97 -15.20 -5.72 -47.46 -15.75 -7.07 2 0 20.20-999 ?-999 ?-999 ? CL CL A 144 mALA~C 49 -45.38 -16.91 -5.04 -44.87 -16.45 -5.77 -44.58 -17.78 -2.83 -44.51 -18.72 -2.05 -44.86 -18.05 -4.31 -43.58 -18.58 -5.01 2 0 19.49-999 ?-999 ?-999 ? CL CL A 144 mILE~C 50 -44.42 -16.51 -2.45 -44.45 -15.85 -3.20 -45.47 -15.58 -0.37 -45.38 -14.99 0.73 -44.21 -16.16 -1.04 -42.97 -15.24 -0.80 3 0 20.60-999 ?-999 ?-999 ? CL CL A 144 mTHR~C 51 -46.64 -15.74 -0.99 -46.60 -16.14 -1.91 -48.24 -16.49 0.62 -47.95 -17.67 0.34 -47.87 -15.35 -0.33 -49.06 -15.16 -1.30 2 0 23.81-999 ?-999 ?-999 ? CL CL A 144 mLYS~C 52 -48.83 -16.15 1.75 -48.95 -15.16 1.87 -50.15 -18.18 2.04 -50.01 -19.37 2.30 -49.26 -17.15 2.71 -49.99 -16.52 3.89 2 0 26.95-999 ?-999 ?-999 ? CL CL A 144 mARG~C 53 -51.03 -17.73 1.15 -51.01 -16.74 1.01 -51.17 -19.70 -0.33 -51.49 -20.88 -0.26 -51.93 -18.65 0.45 -52.87 -17.89 -0.50 2 0 27.96-999 ?-999 ?-999 ? CL CL A 144 mSER~C 54 -50.16 -19.27 -1.08 -50.00 -18.29 -1.03 -48.54 -21.14 -1.04 -48.46 -22.33 -1.32 -49.37 -20.20 -1.91 -48.48 -19.46 -2.92 2 0 24.95-999 ?-999 ?-999 ? CL CL A 144 mLEU~C 55 -47.94 -20.61 0.02 -48.11 -19.63 0.14 -47.92 -22.48 1.68 -47.40 -23.56 1.93 -47.12 -21.42 0.92 -46.34 -20.51 1.88 3 0 25.15-999 ?-999 ?-999 ? CL CL A 144 mASN~C 56 -49.16 -22.17 2.05 -49.44 -21.24 1.79 -50.82 -24.04 1.85 -51.47 -24.95 2.32 -50.03 -23.11 2.77 -51.05 -22.38 3.65 2 0 28.93-999 ?-999 ?-999 ? CL CL A 144 mSER~C 57 -50.76 -23.80 0.54 -50.16 -23.05 0.27 -51.21 -26.08 -0.30 -50.06 -26.46 -0.12 -51.53 -24.60 -0.40 -51.29 -24.13 -1.83 2 0 28.85-999 ?-999 ?-999 ? CL CL A 144 mGLN.C 58 -52.26 -26.90 -0.42 -53.13 -26.43 -0.53 -51.83 -28.88 -1.78 -51.44 -30.03 -1.94 -52.13 -28.35 -0.38 -53.41 -28.98 0.18 2 0 30.92-999 ?-999 ?-999 ? CL CL A 144 mGLN.C 59 -52.00 -28.03 -2.80 -52.30 -27.11 -2.52 -50.29 -28.75 -4.47 -49.40 -28.01 -4.01 -51.77 -28.42 -4.19 -52.25 -27.31 -5.14 2 0 29.11-999 ?-999 ?-999 ? CL CL A 144 mPRO.C 60 -50.03 -29.84 -5.22 -50.84 -30.32 -5.57 -47.84 -29.22 -6.24 -48.34 -28.66 -7.22 -48.65 -30.27 -5.49 -48.82 -31.53 -6.36 3 0 27.33-999 ?-999 ?-999 ? CL CL A 144 mPRO.C 61 -46.59 -28.95 -5.80 -46.29 -29.49 -5.02 -45.69 -28.06 -7.97 -45.76 -29.19 -8.49 -45.75 -27.92 -6.45 -44.36 -28.10 -5.82 3 0 23.49-999 ?-999 ?-999 ? CL CL A 144 mGLN.C 62 -45.56 -26.93 -8.66 -45.45 -26.11 -8.12 -44.16 -27.01 -10.70 -43.35 -26.14 -10.42 -45.57 -26.95 -10.12 -46.28 -25.69 -10.63 2 0 21.75-999 ?-999 ?-999 ? CL CL A 144 mILE.C 63 -43.86 -28.05 -11.48 -44.58 -28.74 -11.53 -42.78 -27.47 -13.54 -43.90 -27.40 -14.06 -42.60 -28.15 -12.20 -42.18 -29.62 -12.49 3 0 20.04-999 ?-999 ?-999 ? CL CL A 144 mASP~C 64 -41.68 -26.94 -14.07 -40.88 -27.00 -13.48 -42.18 -27.35 -16.41 -41.70 -28.48 -16.45 -41.64 -26.33 -15.40 -40.17 -25.98 -15.74 2 0 17.93-999 ?-999 ?-999 ? CL CL A 144 mLYS~C 65 -43.19 -26.96 -17.19 -43.50 -26.02 -17.02 -42.71 -28.37 -19.19 -42.89 -29.40 -19.78 -43.77 -27.84 -18.22 -44.91 -27.17 -19.01 2 0 20.82-999 ?-999 ?-999 ? CL CL A 144 mASN~C 66 -41.59 -27.66 -19.36 -41.56 -26.79 -18.86 -39.85 -29.44 -19.73 -39.23 -30.16 -20.50 -40.51 -28.15 -20.24 -39.37 -27.13 -20.44 2 0 19.35-999 ?-999 ?-999 ? CL CL A 144 mTYR~C 67 -39.95 -29.70 -18.42 -40.47 -29.02 -17.90 -40.31 -31.71 -16.98 -39.92 -32.30 -15.98 -39.32 -30.89 -17.84 -38.09 -30.51 -17.00 3 0 20.33-999 ?-999 ?-999 ? CL CL A 144 mGLU~C 68 -41.59 -31.74 -17.37 -41.78 -31.18 -18.18 -42.21 -33.99 -16.44 -42.33 -34.51 -15.32 -42.61 -32.52 -16.65 -43.96 -32.53 -17.40 2 0 23.35-999 ?-999 ?-999 ? CL CL A 144 mGLN~C 69 -41.76 -34.63 -17.52 -41.72 -34.06 -18.34 -40.34 -36.40 -16.42 -40.34 -37.51 -15.89 -41.36 -36.06 -17.51 -40.79 -36.46 -18.88 2 0 25.73-999 ?-999 ?-999 ? CL CL A 144 mMETC 70 -39.50 -35.42 -16.08 -39.65 -34.57 -16.58 -38.85 -35.15 -13.66 -38.07 -35.28 -12.71 -38.45 -35.60 -15.07 -37.24 -34.76 -15.47 2 0 23.86-999 ?-999 ?-999 ? CL CL A 144 mGLY.C 71 -40.05 -34.58 -13.52 -40.57 -34.52 -14.37 -40.59 -35.09 -11.10 -39.97 -34.87 -10.05 -40.54 -34.08 -12.23-999.99-999.99-999.99 1 0 23.56-999 ?-999 ?-999 ? CL CL A 144 mPRO.C 72 -41.29 -36.23 -11.30 -41.71 -36.32 -12.20 -40.04 -37.74 -9.72 -39.87 -37.85 -8.50 -41.40 -37.24 -10.23 -42.18 -38.39 -10.90 3 0 26.98-999 ?-999 ?-999 ? CL CL A 144 mILE.C 73 -39.10 -38.01 -10.62 -39.40 -37.88 -11.57 -37.16 -37.52 -9.18 -36.65 -37.96 -8.15 -37.74 -38.46 -10.24 -36.74 -38.50 -11.46 3 0 26.61-999 ?-999 ?-999 ? CL CL A 144 mMETC 74 -37.27 -36.22 -9.45 -37.74 -36.02 -10.32 -37.51 -35.15 -7.24 -36.88 -35.18 -6.18 -36.76 -35.19 -8.57 -36.85 -33.82 -9.24 2 0 23.63-999 ?-999 ?-999 ? CL CL A 144 mMETC 75 -38.84 -35.06 -7.30 -39.21 -35.08 -8.23 -39.44 -36.14 -5.16 -39.26 -35.98 -3.94 -39.66 -34.96 -6.08 -41.17 -34.88 -6.39 2 0 25.28-999 ?-999 ?-999 ? CL CL A 144 mGLN.C 76 -39.44 -37.32 -5.77 -39.57 -37.25 -6.76 -37.90 -38.66 -4.39 -37.82 -39.03 -3.22 -39.27 -38.58 -5.06 -39.51 -39.74 -6.06 2 0 28.57-999 ?-999 ?-999 ? CL CL A 144 mLYS.C 77 -36.84 -38.24 -5.11 -37.07 -37.88 -6.01 -35.21 -37.31 -3.46 -34.37 -37.56 -2.60 -35.48 -38.33 -4.57 -34.44 -38.22 -5.69 2 0 27.36-999 ?-999 ?-999 ? CL CL A 144 mMETC 78 -35.94 -36.19 -3.48 -36.57 -36.15 -4.26 -36.54 -35.52 -1.17 -36.01 -35.34 -0.07 -35.82 -35.14 -2.46 -36.38 -33.81 -2.98 2 0 25.56-999 ?-999 ?-999 ? CL CL A 144 mGLN.C 79 -37.77 -36.02 -1.29 -38.12 -36.07 -2.23 -37.77 -37.66 0.52 -37.81 -37.84 1.74 -38.49 -36.45 -0.10 -39.97 -36.77 -0.41 2 0 28.60-999 ?-999 ?-999 ? CL CL A 144 mGLU.C 80 -37.11 -38.46 -0.32 -37.18 -38.19 -1.29 -35.13 -39.20 0.95 -34.78 -39.84 1.94 -36.36 -39.63 0.14 -35.97 -40.55 -1.02 2 0 30.72-999 ?-999 ?-999 ? CL CL A 144 mMETC 81 -34.49 -38.11 0.54 -34.84 -37.72 -0.31 -33.84 -36.64 2.41 -33.02 -36.14 3.18 -33.36 -37.56 1.28 -32.48 -36.71 0.37 2 0 28.98-999 ?-999 ?-999 ? CL CL A 144 mLYS.C 82 -35.16 -36.39 2.48 -35.69 -36.90 1.81 -35.14 -34.06 3.24 -34.82 -33.34 4.20 -35.75 -35.45 3.45 -35.58 -35.93 4.90 2 0 29.06-999 ?-999 ?-999 ? CL CL A 144 mTYR.C 83 -34.98 -33.69 1.98 -35.31 -34.35 1.30 -35.36 -31.31 2.02 -36.54 -31.43 1.71 -34.37 -32.42 1.63 -34.06 -32.35 0.13 3 0 25.34-999 ?-999 ?-999 ? CL CL A 144 mPRO.C 84 -34.89 -30.26 2.74 -33.92 -30.26 2.96 -36.48 -28.50 1.94 -35.92 -28.51 0.83 -35.84 -29.21 3.13 -34.97 -28.23 3.93 3 0 24.54-999 ?-999 ?-999 ? CL CL A 144 mMETC 85 -37.66 -27.91 2.15 -38.04 -28.05 3.07 -37.56 -25.84 0.89 -36.86 -25.36 1.80 -38.31 -27.15 1.09 -39.80 -26.90 1.38 2 0 22.69-999 ?-999 ?-999 ? CL CL A 144 mTRP.C 86 -37.69 -25.26 -0.29 -38.33 -25.72 -0.91 -37.13 -22.91 0.38 -36.16 -22.26 0.74 -36.94 -24.04 -0.63 -37.23 -23.56 -2.07 3 0 19.14-999 ?-999 ?-999 ? CL CL A 144 mHIS.C 87 -38.35 -22.69 0.84 -39.04 -23.32 0.49 -38.01 -21.88 3.18 -37.65 -20.93 3.88 -38.62 -21.62 1.80 -40.12 -21.34 1.90 3 0 20.63-999 ?-999 ?-999 ? CL CL A 144 mGLN.C 88 -37.89 -23.15 3.57 -38.27 -23.81 2.92 -35.77 -23.23 4.74 -35.17 -22.76 5.70 -37.27 -23.51 4.84 -37.53 -24.99 5.16 2 0 23.32-999 ?-999 ?-999 ? CL CL A 144 mLEU.C 89 -35.18 -23.50 3.58 -35.78 -23.91 2.89 -33.51 -21.71 3.50 -32.48 -21.31 4.05 -33.77 -23.21 3.37 -33.26 -23.74 2.02 3 0 20.90-999 ?-999 ?-999 ? CL CL A 144 mVAL.C 90 -34.44 -20.90 2.97 -35.21 -21.36 2.53 -34.43 -18.95 4.51 -33.60 -18.15 4.96 -34.30 -19.44 3.06 -35.29 -18.71 2.14 3 0 19.33-999 ?-999 ?-999 ? CL CL A 144 mGLN.C 91 -35.44 -19.45 5.25 -36.02 -20.12 4.79 -34.47 -19.49 7.51 -34.01 -18.73 8.35 -35.63 -19.03 6.64 -36.96 -19.49 7.22 2 0 22.91-999 ?-999 ?-999 ? CL CL A 144 mGLN.C 92 -33.99 -20.71 7.31 -34.47 -21.24 6.62 -31.59 -20.34 7.76 -30.80 -20.04 8.65 -32.83 -21.20 8.07 -32.59 -22.69 7.81 2 0 24.00-999 ?-999 ?-999 ? O2S EPE A 145 mALA.C 93 -31.45 -19.91 6.51 -32.17 -20.23 5.89 -30.43 -17.70 6.86 -29.41 -17.18 7.30 -30.35 -19.04 6.11 -30.38 -18.82 4.63 2 0 20.55-999 ?-999 ?-999 ? O2S EPE A 145 mLYS.C 94 -31.64 -17.15 7.02 -32.39 -17.66 6.60 -31.32 -16.01 9.20 -30.76 -15.08 9.76 -31.80 -15.89 7.76 -33.25 -15.40 7.78 2 0 21.49-999 ?-999 ?-999 ? O2S EPE A 145 mGLU.C 95 -31.54 -17.17 9.79 -31.99 -17.84 9.21 -29.62 -17.54 11.25 -28.99 -17.05 12.17 -31.14 -17.40 11.16 -31.86 -18.64 11.67 2 0 24.70-999 ?-999 ?-999 ? O2S EPE A 145 mILE.C 96 -29.03 -18.19 10.26 -29.67 -18.50 9.55 -26.76 -17.23 9.79 -25.71 -16.96 10.36 -27.59 -18.44 10.21 -27.31 -19.64 9.26 3 0 23.24-999 ?-999 ?-999 ? O2S EPE A 145 mGLY.C 97 -27.22 -16.51 8.77 -28.11 -16.81 8.43 -27.25 -14.11 8.01 -28.27 -13.87 8.63 -26.46 -15.38 8.24-999.99-999.99-999.99 1 0 20.31-999 ?-999 ?-999 ? O2S EPE A 145 mGLU^C 98 -26.74 -13.28 7.09 -25.92 -13.63 6.65 -28.13 -12.12 5.45 -27.57 -11.95 4.37 -27.36 -11.99 6.77 -26.28 -10.90 6.74 2 0 18.53-999 ?-999 ?-999 ? O2S EPE A 145 mVAL^C 99 -29.41 -12.46 5.57 -29.71 -12.56 6.51 -31.48 -11.77 4.56 -32.13 -11.76 5.59 -30.28 -12.68 4.42 -30.77 -14.15 4.37 3 0 17.30-999 ?-999 ?-999 ? O2S EPE A 145 mLYS^C 100 -31.76 -10.99 3.52 -31.12 -11.07 2.75 -33.81 -10.43 2.34 -33.35 -10.61 1.21 -32.91 -10.09 3.52 -32.46 -8.64 3.45 2 0 17.67-999 ?-999 ?-999 ? O2S EPE A 145 mVAL^C 101 -35.09 -10.50 2.64 -35.29 -10.28 3.59 -36.99 -9.66 1.41 -37.63 -9.10 2.32 -36.11 -10.86 1.69 -36.95 -11.99 2.24 3 0 18.05-999 ?-999 ?-999 ? CL CL A 144 mPHE^C 102 -37.02 -9.28 0.15 -36.46 -9.85 -0.45 -38.91 -8.58 -1.29 -38.74 -9.50 -2.12 -37.81 -8.15 -0.32 -36.90 -7.14 -1.03 3 0 17.74-999 ?-999 ?-999 ? CL CL A 144 mALA^C 103 -40.04 -7.89 -1.20 -40.03 -7.21 -0.46 -41.27 -6.93 -3.06 -41.10 -5.78 -2.66 -41.18 -8.11 -2.10 -42.48 -8.21 -1.29 2 0 18.42-999 ?-999 ?-999 ? CL CL A 144 mCYH^C 104 -41.53 -7.24 -4.32 -41.62 -8.22 -4.48 -43.00 -5.46 -5.26 -44.07 -6.01 -5.46 -41.69 -6.23 -5.37 -41.70 -6.95 -6.73 2 0 17.48-999 ?-999 ?-999 ? CL CL A 144 mSER~C 105 -42.92 -4.16 -5.02 -41.99 -3.80 -4.94 -44.95 -3.28 -6.18 -46.16 -3.26 -6.11 -44.14 -3.35 -4.89 -43.80 -1.91 -4.45 2 0 20.86-999 ?-999 ?-999 ? CL CL A 144 mTHR~C 106 -44.31 -3.27 -7.34 -43.31 -3.33 -7.27 -45.89 -4.39 -8.85 -47.06 -4.27 -9.16 -45.04 -3.18 -8.60 -44.11 -2.99 -9.80 2 0 20.22-999 ?-999 ?-999 ? CL CL A 144 mTHR~C 107 -45.31 -5.57 -8.72 -44.35 -5.53 -8.45 -47.17 -6.94 -7.93 -48.20 -7.52 -8.22 -46.05 -6.81 -8.96 -45.18 -8.06 -8.95 2 0 19.35-999 ?-999 ?-999 ? CL CL A 144 mMETC 108 -46.98 -6.41 -6.72 -46.08 -5.99 -6.58 -49.29 -5.70 -6.16 -50.39 -6.13 -5.86 -48.05 -6.45 -5.72 -47.59 -5.96 -4.37 2 0 22.35-999 ?-999 ?-999 ? CL CL A 144 mGLU~C 109 -49.10 -4.58 -6.86 -48.14 -4.30 -6.93 -50.86 -4.71 -8.58 -52.08 -4.88 -8.61 -50.23 -3.86 -7.47 -49.80 -2.50 -8.05 2 0 24.58-999 ?-999 ?-999 ? CL CL A 144 mPHE~C 110 -50.04 -5.26 -9.48 -49.08 -5.06 -9.32 -51.40 -7.25 -10.15 -52.38 -7.58 -10.81 -50.55 -6.08 -10.59 -49.39 -6.67 -11.39 3 0 23.33-999 ?-999 ?-999 ? CL CL A 144 mPHE~C 111 -50.99 -7.92 -9.07 -50.18 -7.55 -8.62 -52.65 -8.84 -7.44 -53.29 -9.78 -6.93 -51.72 -9.10 -8.62 -50.74 -10.24 -8.29 3 0 24.06-999 ?-999 ?-999 ? CL CL A 144 mGLY.C 112 -52.77 -7.57 -7.05 -52.24 -6.93 -7.59 -53.24 -7.84 -4.61 -54.10 -8.22 -3.82 -53.62 -7.18 -5.92-999.99-999.99-999.99 1 0 27.03-999 ?-999 ?-999 ? CL CL A 144 mILE.C 113 -51.93 -8.01 -4.37 -51.34 -7.69 -5.11 -51.15 -7.47 -2.16 -50.60 -6.43 -2.54 -51.43 -8.60 -3.13 -50.14 -9.40 -3.35 3 0 25.81-999 ?-999 ?-999 ? CL CL A 144 mLYS~C 114 -51.52 -7.67 -0.89 -51.97 -8.55 -0.75 -50.23 -7.24 1.10 -50.03 -8.45 1.13 -51.31 -6.68 0.17 -52.62 -6.45 0.94 2 0 27.76-999 ?-999 ?-999 ? CL CL A 144 mARG~C 115 -49.56 -6.38 1.86 -49.87 -5.43 1.76 -48.90 -7.93 3.71 -48.13 -8.83 4.02 -48.47 -6.81 2.77 -47.94 -5.61 3.59 2 0 27.09-999 ?-999 ?-999 ? CL CL A 144 mGLU~C 116 -50.14 -7.87 4.17 -50.67 -7.09 3.83 -50.74 -10.27 4.46 -50.77 -11.27 5.17 -50.65 -8.88 5.09 -52.02 -8.48 5.62 2 0 29.75-999 ?-999 ?-999 ? CL CL A 144 mASP~C 117 -50.80 -10.32 3.13 -50.78 -9.43 2.69 -49.50 -12.25 2.26 -49.39 -13.40 1.87 -50.88 -11.59 2.40 -51.47 -11.37 0.99 2 0 27.88-999 ?-999 ?-999 ? CL CL A 144 mLEU~C 118 -48.43 -11.52 2.59 -48.63 -10.61 2.95 -46.57 -12.83 3.61 -46.97 -12.56 4.73 -47.09 -12.06 2.41 -46.12 -10.92 2.06 3 0 24.97-999 ?-999 ?-999 ? CL CL A 144 mALA.C 119 -45.67 -13.79 3.36 -45.49 -13.91 2.38 -44.35 -13.64 5.41 -43.84 -12.56 5.05 -45.02 -14.58 4.41 -43.97 -15.51 3.80 2 0 24.95-999 ?-999 ?-999 ? CL CL A 144 mGLU.C 120 -44.32 -14.06 6.67 -44.68 -14.99 6.79 -42.30 -12.94 7.57 -41.80 -11.91 7.99 -43.80 -13.23 7.77 -44.11 -13.87 9.14 2 0 26.89-999 ?-999 ?-999 ? CL CL A 144 mPHE.C 121 -41.61 -13.81 6.84 -42.15 -14.56 6.46 -39.79 -12.57 5.60 -38.62 -12.39 5.33 -40.17 -13.66 6.62 -39.53 -15.02 6.30 3 0 24.04-999 ?-999 ?-999 ? CL CL A 144 mVAL.C 122 -40.78 -11.89 5.02 -41.71 -12.21 5.24 -40.06 -9.62 5.01 -40.72 -9.25 5.96 -40.52 -10.78 4.14 -41.72 -10.32 3.32 3 0 22.25-999 ?-999 ?-999 ? CL CL A 144 mASP.C 123 -38.92 -9.05 4.68 -38.48 -9.44 3.87 -38.92 -6.57 5.01 -39.11 -5.70 5.82 -38.38 -7.93 5.46 -36.85 -7.95 5.37 2 0 22.44-999 ?-999 ?-999 ? O1S EPE A 145 mASP^C 124 -39.16 -6.37 3.72 -38.96 -7.15 3.12 -40.20 -5.20 1.88 -39.89 -6.15 1.17 -39.69 -5.08 3.28 -38.62 -3.96 3.32 2 0 21.96-999 ?-999 ?-999 ? O1S EPE A 145 mVAL^C 125 -41.02 -4.22 1.50 -41.19 -3.54 2.22 -40.94 -2.94 -0.45 -40.98 -1.85 0.11 -41.63 -4.13 0.18 -43.17 -3.88 0.28 3 0 21.64-999 ?-999 ?-999 ? O1S EPE A 145 mVAL^C 126 -40.31 -3.14 -1.60 -40.38 -4.07 -1.98 -39.70 -2.11 -3.72 -40.15 -3.09 -4.26 -39.58 -2.05 -2.22 -38.07 -2.06 -1.83 3 0 19.28-999 ?-999 ?-999 ? O1S EPE A 145 mGLY~C 127 -39.24 -1.04 -4.36 -38.92 -0.32 -3.75 -37.88 -1.41 -6.36 -36.92 -1.66 -5.63 -39.21 -0.92 -5.80-999.99-999.99-999.99 1 0 17.87-999 ?-999 ?-999 ? O1S EPE A 145 mVAL~C 128 -37.83 -1.48 -7.68 -38.62 -1.10 -8.14 -35.38 -1.32 -8.23 -34.39 -1.98 -7.98 -36.70 -2.07 -8.37 -37.10 -2.60 -9.79 3 0 14.47-999 ?-999 ?-999 ? O1S EPE A 145 mALA~C 129 -35.37 0.01 -8.27 -36.26 0.43 -8.43 -33.56 0.52 -6.68 -32.34 0.38 -6.55 -34.15 0.77 -8.09 -34.39 2.21 -8.42 2 0 14.17-999 ?-999 ?-999 ? O1S EPE A 145 mTHR~C 130 -34.41 0.39 -5.65 -35.37 0.47 -5.90 -33.23 -1.17 -4.18 -32.19 -1.25 -3.55 -33.96 0.15 -4.28 -35.14 0.32 -3.33 2 0 15.18-999 ?-999 ?-999 ? O1S EPE A 145 mPHE~C 131 -33.73 -2.16 -4.88 -34.55 -1.98 -5.41 -31.76 -3.37 -5.67 -30.77 -3.89 -5.16 -33.08 -3.41 -4.84 -34.05 -4.52 -5.30 3 0 12.48-999 ?-999 ?-999 ? O1S EPE A 145 mLEU~C 132 -31.74 -2.73 -6.86 -32.61 -2.34 -7.14 -29.44 -1.97 -6.86 -28.32 -2.41 -6.94 -30.53 -2.63 -7.68 -30.81 -1.95 -9.00 3 0 9.69-999 ?-999 ?-999 ? O1S EPE A 145 mASP~C 133 -29.77 -0.97 -6.06 -30.75 -0.75 -6.09 -28.23 -1.23 -4.22 -27.07 -1.17 -3.96 -28.80 -0.27 -5.23 -29.44 0.95 -4.55 2 0 11.71-999 ?-999 ?-999 ? O1S EPE A 145 mARG~C 134 -29.04 -2.09 -3.64 -30.00 -2.01 -3.89 -27.60 -4.12 -3.38 -26.65 -4.56 -2.80 -28.49 -3.08 -2.68 -29.58 -3.80 -1.94 2 0 11.68-999 ?-999 ?-999 ? O1S EPE A 145 mALA~C 135 -27.94 -4.49 -4.60 -28.74 -4.00 -4.95 -25.85 -5.06 -5.88 -24.95 -5.89 -6.16 -27.20 -5.52 -5.36 -28.06 -6.03 -6.53 2 0 7.93-999 ?-999 ?-999 ? O1S EPE A 145 mGLU~C 136 -25.69 -3.75 -6.01 -26.46 -3.20 -5.67 -23.23 -3.66 -5.95 -23.06 -3.64 -4.72 -24.51 -3.16 -6.60 -24.57 -1.62 -6.52 2 0 7.22-999 ?-999 ?-999 ? N1 EPE A 145 mGLY.C 137 -22.28 -4.09 -6.78 -22.51 -4.08 -7.75 -20.92 -5.99 -5.93 -19.84 -6.47 -5.70 -21.03 -4.52 -6.25-999.99-999.99-999.99 1 0 4.19-999 ?-999 ?-999 ? O8 EPE A 145 mGLY.C 138 -22.02 -6.73 -5.95 -22.86 -6.22 -6.15 -22.40 -8.93 -6.91 -22.55 -8.36 -7.98 -21.96 -8.16 -5.68-999.99-999.99-999.99 1 0 -4.86-999 ?-999 ?-999 ? C2 EPE A 145s mTHR^C 139 -22.53 -10.24 -6.74 -22.27 -10.56 -5.83 -24.52 -11.02 -7.78 -25.15 -11.05 -6.75 -23.01 -11.13 -7.76 -22.56 -12.54 -7.45 2 0 -3.52-999 ?-999 ?-999 ? O2S EPE A 145s mTHR^C 140 -25.09 -10.85 -8.97 -24.45 -10.88 -9.74 -27.08 -11.56 -10.18 -26.53 -11.63 -11.28 -26.53 -10.66 -9.09 -26.89 -9.19 -9.37 2 0 -3.94-999 ?-999 ?-999 ? O2S EPE A 145s mLEU^C 141 -28.14 -12.26 -9.83 -28.44 -12.04 -8.90 -30.30 -12.98 -10.88 -30.94 -12.51 -9.94 -28.80 -13.24 -10.73 -28.65 -14.65 -10.16 3 0 3.90-999 ?-999 ?-999 ? CL CL A 144 mPHE^C 142 -30.83 -13.33 -12.05 -30.17 -13.62 -12.73 -32.65 -14.75 -12.57 -32.19 -15.42 -13.53 -32.24 -13.29 -12.34 -32.52 -12.46 -13.58 3 0 -4.08-999 ?-999 ?-999 ? CL CL A 144s mILE^C 143 -33.51 -15.25 -11.69 -33.78 -14.60 -10.98 -35.51 -16.68 -11.97 -36.28 -16.19 -11.13 -33.99 -16.63 -11.77 -33.63 -17.43 -10.48 3 0 6.51-999 ?-999 ?-999 ? CL CL A 144 mLYS.D 6 2.66 -11.28 -18.50 2.36 -10.84 -17.65 2.94 -11.04 -21.00 1.85 -10.56 -21.26 3.13 -11.94 -19.77 2.41 -13.28 -20.02 2 0 9.23-999 ?-999 ?-999 ? O8 EPE D 146 mLYS.D 7 4.03 -10.88 -21.74 4.81 -11.39 -21.40 3.20 -10.56 -24.06 3.08 -11.75 -24.29 4.11 -10.06 -22.93 5.57 -10.04 -23.41 2 0 8.20-999 ?-999 ?-999 ? O8 EPE D 146 mLYS^D 8 2.64 -9.62 -24.80 2.95 -8.69 -24.57 1.85 -9.05 -27.08 2.13 -7.85 -27.00 1.68 -9.90 -25.83 0.31 -9.64 -25.23 2 0 8.81-999 ?-999 ?-999 ? O8 EPE D 146 mLEU^D 9 1.71 -9.70 -28.23 1.57 -10.68 -28.13 0.51 -9.48 -30.28 0.23 -10.69 -30.40 1.74 -9.06 -29.50 2.98 -9.46 -30.28 3 0 7.99-999 ?-999 ?-999 ? O3S EPE D 146 mSER^D 10 -0.26 -8.50 -30.75 0.04 -7.58 -30.48 -1.30 -8.03 -32.89 -0.87 -6.87 -32.90 -1.45 -8.76 -31.59 -2.70 -8.31 -30.87 2 0 8.34-999 ?-999 ?-999 ? O3S EPE D 146 mILE^D 11 -1.62 -8.69 -33.99 -1.96 -9.62 -33.85 -2.74 -8.30 -36.09 -3.26 -9.41 -36.16 -1.48 -8.08 -35.30 -0.33 -8.74 -36.10 3 0 8.33-999 ?-999 ?-999 ? CL CL D 144 mILE^D 12 -3.24 -7.23 -36.68 -2.78 -6.39 -36.39 -3.62 -7.43 -38.96 -2.89 -6.51 -39.42 -4.35 -7.28 -37.65 -5.18 -5.98 -37.64 3 0 8.54-999 ?-999 ?-999 ? CL CL D 144 mVAL^D 13 -3.79 -8.58 -39.58 -4.40 -9.20 -39.08 -4.14 -8.58 -41.91 -4.96 -9.42 -42.30 -3.13 -8.90 -40.86 -2.72 -10.34 -40.93 3 0 10.32-999 ?-999 ?-999 ? CL CL D 144 mPHE.D 14 -4.07 -7.34 -42.37 -3.35 -6.80 -41.94 -4.43 -7.06 -44.81 -5.20 -7.28 -45.73 -4.95 -6.82 -43.41 -5.06 -5.29 -43.23 3 0 10.79-999 ?-999 ?-999 ? CL CL D 144 mSER.D 15 -3.12 -6.91 -44.98 -2.61 -6.72 -44.14 -2.31 -8.46 -46.72 -2.24 -9.37 -45.88 -2.48 -7.02 -46.28 -1.12 -6.33 -46.22 2 0 12.15-999 ?-999 ?-999 ? CL CL D 144 mGLY.D 16 -2.21 -8.67 -48.03 -2.22 -7.84 -48.59 -0.91 -10.23 -49.56 -0.80 -11.26 -50.17 -2.08 -10.01 -48.59-999.99-999.99-999.99 1 0 15.70-999 ?-999 ?-999 ? CL CL D 144 mTHR~D 17 -0.04 -9.25 -49.65 -0.27 -8.47 -49.06 2.24 -9.98 -49.75 2.32 -9.91 -48.54 1.11 -9.25 -50.49 1.34 -7.75 -50.71 2 0 16.67-999 ?-999 ?-999 ? CL CL D 144 mILE~D 18 3.13 -10.63 -50.47 3.03 -10.53 -51.46 5.13 -10.60 -48.95 5.56 -11.06 -47.88 4.16 -11.43 -49.81 4.94 -12.32 -50.81 3 0 17.90-999 ?-999 ?-999 ? CL CL D 144 mASP~D 19 5.43 -9.38 -49.39 4.99 -9.13 -50.25 5.73 -8.10 -47.33 6.46 -7.77 -46.41 6.34 -8.51 -48.66 6.80 -7.28 -49.47 2 0 16.01-999 ?-999 ?-999 ? CL CL D 144 mLYS~D 20 4.41 -8.13 -47.21 3.91 -8.36 -48.05 3.53 -9.07 -45.11 3.59 -9.00 -43.88 3.77 -7.84 -45.94 2.50 -7.05 -46.15 2 0 12.71-999 ?-999 ?-999 ? CL CL D 144 mLEU~D 21 3.31 -10.21 -45.76 3.29 -10.17 -46.76 4.38 -11.90 -44.36 4.33 -12.46 -43.31 3.10 -11.41 -45.01 2.43 -12.48 -45.84 3 0 14.47-999 ?-999 ?-999 ? CL CL D 144 mMETD 22 5.54 -11.69 -45.00 5.46 -11.22 -45.88 7.06 -11.52 -42.99 7.33 -12.26 -42.06 6.81 -12.12 -44.40 7.99 -11.86 -45.35 2 0 15.91-999 ?-999 ?-999 ? CL CL D 144 mPRO~D 23 7.00 -10.19 -42.84 6.89 -9.68 -43.69 6.11 -10.17 -40.50 6.49 -10.35 -39.33 7.09 -9.56 -41.53 6.71 -8.11 -41.78 3 0 12.86-999 ?-999 ?-999 ? CL CL D 144 mVAL~D 24 4.89 -10.49 -40.93 4.69 -10.26 -41.88 4.53 -12.47 -39.53 4.49 -12.74 -38.33 3.94 -11.15 -40.06 2.59 -11.39 -40.73 3 0 12.30-999 ?-999 ?-999 ? CL CL D 144 mGLY~D 25 5.11 -13.27 -40.42 5.09 -12.95 -41.36 6.93 -14.29 -39.13 7.15 -15.00 -38.14 5.71 -14.52 -40.01-999.99-999.99-999.99 1 0 15.96-999 ?-999 ?-999 ? CL CL D 144 mILE~D 26 7.76 -13.34 -39.51 7.47 -12.84 -40.32 8.68 -12.54 -37.40 9.28 -12.97 -36.41 8.99 -13.08 -38.78 9.91 -12.08 -39.53 3 0 16.01-999 ?-999 ?-999 ? CL CL D 144 mLEU~D 27 7.75 -11.63 -37.30 7.37 -11.36 -38.19 6.76 -12.18 -35.12 7.05 -12.30 -33.95 7.35 -11.08 -35.98 6.31 -9.99 -36.18 3 0 13.32-999 ?-999 ?-999 ? CL CL D 144 mTHR~D 28 5.89 -12.98 -35.71 5.74 -12.80 -36.68 6.20 -15.06 -34.39 6.13 -15.47 -33.24 5.21 -14.04 -34.95 4.19 -14.78 -35.87 2 0 14.74-999 ?-999 ?-999 ? O3S EPE D 146 mSER~D 29 7.09 -15.50 -35.25 7.01 -15.08 -36.15 9.01 -16.00 -33.84 9.27 -16.70 -32.86 8.08 -16.49 -34.93 8.87 -16.77 -36.20 2 0 17.86-999 ?-999 ?-999 ? O3S EPE D 146 mGLY~D 30 9.51 -14.78 -33.99 9.23 -14.32 -34.84 9.65 -13.96 -31.67 10.19 -14.25 -30.58 10.38 -14.18 -33.00-999.99-999.99-999.99 1 0 16.53-999 ?-999 ?-999 ? O3S EPE D 146 mALA~D 31 8.47 -13.41 -31.73 8.15 -13.20 -32.65 7.40 -14.43 -29.79 7.52 -14.53 -28.58 7.72 -13.14 -30.48 6.43 -12.32 -30.75 2 0 13.86-999 ?-999 ?-999 ? O3S EPE D 146 mALA~D 32 6.98 -15.44 -30.53 6.88 -15.24 -31.51 7.92 -17.31 -29.25 7.79 -17.88 -28.17 6.71 -16.73 -29.92 6.14 -17.74 -30.94 2 0 16.66-999 ?-999 ?-999 ? O3S EPE D 146 mALA~D 33 9.08 -17.26 -29.91 9.02 -16.83 -30.81 10.71 -17.04 -28.06 11.30 -17.60 -27.17 10.33 -17.80 -29.33 11.50 -17.75 -30.31 2 0 19.15-999 ?-999 ?-999 ? O3S EPE D 146 mSER~D 34 10.42 -15.74 -28.01 10.00 -15.41 -28.85 9.72 -15.11 -25.68 9.82 -14.47 -24.65 10.70 -14.90 -26.85 10.61 -13.43 -27.24 2 0 16.81-999 ?-999 ?-999 ? O8 EPE D 146 mGLY.D 35 8.74 -15.96 -25.86 8.73 -16.39 -26.76 6.52 -15.33 -24.82 5.80 -15.30 -23.86 7.77 -16.22 -24.79-999.99-999.99-999.99 1 0 15.58-999 ?-999 ?-999 ? O8 EPE D 146 mTYR.D 36 6.28 -14.57 -25.89 6.99 -14.61 -26.59 3.84 -14.61 -26.29 3.91 -15.65 -26.95 5.07 -13.77 -26.00 5.19 -12.83 -27.22 3 0 12.87-999 ?-999 ?-999 ? O8 EPE D 146 mGLU^D 37 2.67 -14.10 -25.88 2.74 -13.37 -25.20 1.24 -13.84 -27.73 1.39 -12.62 -27.76 1.41 -14.58 -26.40 0.25 -14.23 -25.42 2 0 13.02-999 ?-999 ?-999 ? O8 EPE D 146 mVAL^D 38 0.99 -14.53 -28.84 0.95 -15.52 -28.73 -0.64 -14.08 -30.63 -1.14 -15.22 -30.63 0.77 -13.85 -30.11 1.80 -14.31 -31.16 3 0 12.77-999 ?-999 ?-999 ? O3S EPE D 146 mASN^D 39 -1.30 -13.02 -31.06 -0.80 -12.16 -30.98 -2.65 -12.54 -32.97 -2.28 -11.38 -33.12 -2.64 -13.12 -31.60 -3.62 -12.33 -30.72 2 0 12.75-999 ?-999 ?-999 ? O3S EPE D 146 mLEU^D 40 -3.06 -13.31 -33.97 -3.31 -14.24 -33.69 -4.62 -12.80 -35.77 -5.36 -13.78 -35.59 -3.15 -12.82 -35.34 -2.35 -13.69 -36.29 3 0 13.27-999 ?-999 ?-999 ? CL CL D 144 mPHE^D 41 -5.02 -11.69 -36.39 -4.29 -11.01 -36.50 -6.28 -11.22 -38.36 -5.89 -10.13 -38.77 -6.37 -11.48 -36.87 -7.00 -10.28 -36.14 3 0 12.81-999 ?-999 ?-999 ? CL CL D 145 mPHE^D 42 -6.64 -12.21 -39.16 -6.93 -13.03 -38.67 -7.93 -11.53 -41.12 -8.97 -12.07 -40.87 -6.61 -12.10 -40.61 -6.28 -13.43 -41.24 3 0 14.34-999 ?-999 ?-999 ? CL CL D 144 mTHR~D 43 -7.84 -10.42 -41.83 -6.90 -10.11 -42.01 -8.70 -9.22 -43.74 -7.54 -9.16 -44.16 -8.99 -9.70 -42.32 -9.26 -8.50 -41.37 2 0 13.89-999 ?-999 ?-999 ? CL CL D 145 mPHE~D 44 -9.75 -8.91 -44.50 -10.63 -9.01 -44.03 -8.60 -9.29 -46.69 -8.77 -10.50 -46.82 -9.59 -8.47 -45.89 -9.31 -6.96 -45.99 3 0 15.77-999 ?-999 ?-999 ? CL CL D 144 mTRP~D 45 -7.54 -8.67 -47.20 -7.44 -7.72 -46.92 -5.84 -10.47 -47.33 -5.50 -11.50 -47.88 -6.63 -9.40 -48.10 -5.73 -8.43 -48.86 3 0 16.21-999 ?-999 ?-999 ? CL CL D 144 mGLY~D 46 -5.60 -10.25 -46.05 -5.93 -9.38 -45.70 -5.74 -12.49 -45.09 -5.20 -13.59 -45.07 -4.92 -11.21 -45.24-999.99-999.99-999.99 1 0 14.94-999 ?-999 ?-999 ? CL CL D 144 mLEU~D 47 -7.05 -12.35 -45.01 -7.38 -11.41 -45.06 -7.89 -14.36 -46.13 -7.85 -15.59 -46.08 -7.91 -13.52 -44.85 -9.32 -13.08 -44.51 3 0 17.10-999 ?-999 ?-999 ? CL CL D 145 mGLN~D 48 -7.89 -13.69 -47.27 -7.97 -12.70 -47.15 -6.52 -15.19 -48.59 -6.47 -16.28 -49.12 -7.80 -14.34 -48.56 -7.62 -13.28 -49.65 2 0 20.20-999 ?-999 ?-999 ? CL CL D 144 mALA~D 49 -5.45 -14.66 -48.00 -5.62 -13.77 -47.57 -4.13 -16.61 -47.15 -3.23 -17.43 -47.33 -4.16 -15.33 -47.99 -3.09 -14.36 -47.53 2 0 19.50-999 ?-999 ?-999 ? CL CL D 144 mILE~D 50 -5.07 -16.79 -46.24 -5.74 -16.04 -46.15 -6.20 -18.98 -45.86 -6.54 -19.90 -45.12 -5.11 -18.01 -45.43 -5.17 -17.77 -43.89 3 0 20.67-999 ?-999 ?-999 ? CL CL D 144 mTHR~D 51 -6.78 -18.76 -47.04 -6.52 -17.91 -47.50 -6.86 -20.85 -48.16 -5.75 -20.62 -48.67 -7.71 -19.71 -47.57 -8.55 -19.14 -48.72 2 0 21.64-999 ?-999 ?-999 ? CL CL D 145 mLYS~D 52 -7.39 -22.07 -48.07 -8.27 -22.11 -47.60 -6.40 -23.04 -50.11 -5.32 -23.46 -50.58 -6.72 -23.24 -48.63 -7.59 -24.49 -48.49 2 0 24.72-999 ?-999 ?-999 ? CL CL D 145 mARG~D 53 -7.32 -22.41 -50.83 -8.15 -22.16 -50.32 -5.90 -21.26 -52.49 -5.07 -21.56 -53.35 -7.13 -22.12 -52.25 -8.37 -21.43 -52.85 2 0 26.61-999 ?-999 ?-999 ? CL CL D 145 mSER~D 54 -5.77 -20.18 -51.73 -6.49 -20.06 -51.05 -3.32 -19.95 -51.48 -2.30 -19.82 -52.17 -4.63 -19.29 -51.90 -4.86 -17.95 -51.18 2 0 25.01-999 ?-999 ?-999 ? CL CL D 144 mLEU~D 55 -3.35 -20.68 -50.37 -4.24 -20.71 -49.92 -1.65 -22.44 -50.83 -0.45 -22.63 -50.98 -2.15 -21.37 -49.87 -2.41 -21.96 -48.48 3 0 25.20-999 ?-999 ?-999 ? CL CL D 144 mASN~D 56 -2.56 -23.15 -51.49 -3.50 -22.89 -51.28 -1.91 -23.68 -53.85 -1.48 -24.45 -54.71 -2.19 -24.19 -52.45 -3.32 -25.21 -52.58 2 0 28.96-999 ?-999 ?-999 ? CL CL D 144 mSER~D 57 -2.18 -22.41 -54.11 -2.51 -21.89 -53.32 -0.59 -22.02 -55.94 0.38 -21.87 -55.19 -2.00 -21.84 -55.44 -2.33 -20.35 -55.44 2 0 28.87-999 ?-999 ?-999 ? CL CL D 144 mGLN.D 58 -0.49 -22.33 -57.23 -1.38 -22.44 -57.68 1.28 -21.15 -58.45 2.44 -21.03 -58.87 0.78 -22.51 -57.92 0.63 -23.52 -59.07 2 0 30.96-999 ?-999 ?-999 ? CL CL D 144 mGLN.D 59 0.41 -20.13 -58.41 -0.49 -20.37 -58.03 1.79 -18.11 -58.02 1.71 -18.18 -56.79 0.74 -18.79 -58.90 -0.52 -17.91 -59.05 2 0 29.12-999 ?-999 ?-999 ? CL CL D 144 mPRO.D 60 2.78 -17.43 -58.66 2.71 -17.41 -59.66 3.37 -15.71 -56.96 2.53 -14.90 -57.35 3.87 -16.79 -57.91 4.76 -16.16 -59.01 3 0 27.35-999 ?-999 ?-999 ? CL CL D 144 mPRO.D 61 3.87 -15.71 -55.71 4.57 -16.41 -55.55 3.42 -13.28 -55.23 4.28 -12.94 -56.07 3.40 -14.72 -54.69 4.36 -14.90 -53.50 3 0 23.52-999 ?-999 ?-999 ? CL CL D 144 mGLN.D 62 2.48 -12.45 -54.78 1.88 -12.83 -54.07 3.13 -10.12 -54.41 2.87 -10.08 -53.24 2.39 -11.09 -55.31 0.92 -10.67 -55.53 2 0 21.82-999 ?-999 ?-999 ? CL CL D 144 mILE.D 63 4.09 -9.38 -54.97 4.28 -9.63 -55.92 4.00 -7.02 -54.48 3.32 -6.87 -55.52 4.80 -8.31 -54.25 6.25 -8.03 -54.77 3 0 20.03-999 ?-999 ?-999 ? CL CL D 144 mASP~D 64 4.09 -6.11 -53.51 4.63 -6.40 -52.72 3.92 -4.15 -54.89 5.12 -4.10 -55.16 3.44 -4.82 -53.61 3.77 -3.98 -52.36 2 0 17.94-999 ?-999 ?-999 ? CL CL D 144 mLYS~D 65 2.99 -3.69 -55.72 2.06 -3.85 -55.41 4.28 -1.84 -56.81 4.98 -1.47 -57.74 3.33 -3.03 -56.97 2.04 -2.59 -57.69 2 0 20.79-999 ?-999 ?-999 ? CL CL D 144 mASN~D 66 4.30 -1.21 -55.64 3.66 -1.58 -54.97 6.66 -0.46 -55.39 7.51 0.40 -55.60 5.20 -0.08 -55.40 4.84 0.60 -54.09 2 0 19.43-999 ?-999 ?-999 ? CL CL D 144 mTYR~D 67 6.95 -1.75 -55.18 6.14 -2.33 -55.09 8.56 -3.48 -55.99 9.37 -4.33 -55.67 8.31 -2.26 -55.08 8.55 -2.63 -53.62 3 0 20.32-999 ?-999 ?-999 ? CL CL D 144 mGLU~D 68 7.87 -3.54 -57.12 7.22 -2.78 -57.22 9.49 -4.85 -58.53 9.95 -5.99 -58.53 8.04 -4.61 -58.10 7.25 -4.30 -59.37 2 0 23.35-999 ?-999 ?-999 ? CL CL D 144 mGLN~D 69 10.19 -3.77 -58.90 9.67 -2.92 -58.84 12.51 -4.57 -58.36 13.45 -5.25 -58.77 11.59 -3.85 -59.37 12.12 -2.44 -59.70 2 0 25.77-999 ?-999 ?-999 ? CL CL D 144 mMETD 70 12.20 -4.47 -57.06 11.39 -3.92 -56.88 12.53 -6.51 -55.61 13.17 -7.17 -54.80 13.00 -5.10 -56.01 12.99 -4.22 -54.76 2 0 23.85-999 ?-999 ?-999 ? CL CL D 144 mGLY.D 71 11.43 -6.95 -56.19 11.04 -6.32 -56.86 11.76 -9.46 -56.04 11.99 -10.19 -55.08 10.85 -8.26 -55.87-999.99-999.99-999.99 1 0 23.54-999 ?-999 ?-999 ? CL CL D 144 mPRO.D 72 12.27 -9.67 -57.27 12.00 -9.00 -57.96 14.35 -10.92 -56.61 14.65 -12.00 -56.13 13.15 -10.81 -57.55 13.57 -10.57 -59.01 3 0 26.94-999 ?-999 ?-999 ? CL CL D 144 mILE.D 73 15.03 -9.80 -56.33 14.68 -8.98 -56.80 15.80 -10.50 -54.12 16.52 -11.37 -53.63 16.17 -9.81 -55.42 16.71 -8.40 -55.14 3 0 26.64-999 ?-999 ?-999 ? CL CL D 144 mMETD 74 14.65 -10.10 -53.57 14.17 -9.39 -54.09 13.77 -12.13 -52.43 14.19 -12.93 -51.60 14.14 -10.65 -52.32 12.88 -9.86 -51.90 2 0 23.63-999 ?-999 ?-999 ? CL CL D 144 mMETD 75 12.99 -12.48 -53.44 12.74 -11.73 -54.06 13.74 -14.79 -53.81 13.81 -15.87 -53.23 12.55 -13.86 -53.61 11.57 -14.00 -54.77 2 0 25.23-999 ?-999 ?-999 ? CL CL D 144 mGLN.D 76 14.69 -14.36 -54.63 14.51 -13.45 -55.01 16.70 -15.37 -53.68 17.11 -16.50 -53.41 15.87 -15.16 -54.94 16.70 -14.48 -56.04 2 0 28.55-999 ?-999 ?-999 ? CL CL D 144 mLYS.D 77 16.91 -14.31 -52.90 16.43 -13.48 -53.17 17.18 -15.28 -50.65 17.92 -15.89 -49.88 17.79 -14.42 -51.74 18.17 -13.04 -51.21 2 0 27.41-999 ?-999 ?-999 ? CL CL D 144 mMETD 78 15.85 -15.32 -50.60 15.40 -14.76 -51.29 15.15 -17.58 -49.94 15.35 -18.40 -49.05 15.11 -16.12 -49.61 13.63 -15.70 -49.51 2 0 25.60-999 ?-999 ?-999 ? CL CL D 144 mGLN.D 79 14.91 -17.92 -51.19 14.69 -17.16 -51.80 16.42 -19.83 -51.49 16.65 -20.98 -51.17 14.98 -19.33 -51.60 14.38 -19.59 -52.97 2 0 28.65-999 ?-999 ?-999 ? CL CL D 144 mGLU.D 80 17.38 -18.93 -51.70 17.03 -18.04 -51.97 19.17 -19.57 -50.12 19.98 -20.44 -49.86 18.80 -19.23 -51.56 19.61 -18.03 -52.03 2 0 30.74-999 ?-999 ?-999 ? CL CL D 144 mMETD 81 18.58 -18.84 -49.18 17.99 -18.11 -49.53 17.88 -20.21 -47.27 18.03 -20.66 -46.14 18.79 -19.09 -47.76 18.46 -17.83 -46.96 2 0 28.99-999 ?-999 ?-999 ? CL CL D 144 mLYS.D 82 16.96 -20.66 -48.12 17.03 -20.26 -49.03 15.11 -21.11 -46.60 14.78 -21.82 -45.65 15.95 -21.66 -47.76 16.55 -22.99 -47.38 2 0 29.09-999 ?-999 ?-999 ? CL CL D 144 mTYR.D 83 14.76 -19.84 -46.71 15.07 -19.40 -47.55 12.56 -19.68 -45.68 11.93 -19.68 -46.72 14.00 -19.17 -45.65 14.04 -17.65 -45.81 3 0 25.38-999 ?-999 ?-999 ? CL CL D 144 mPRO.D 84 12.04 -20.12 -44.53 12.63 -20.05 -43.73 9.61 -19.68 -45.03 9.83 -18.49 -44.91 10.67 -20.67 -44.53 10.41 -21.00 -43.05 3 0 24.56-999 ?-999 ?-999 ? CL CL D 144 mMETD 85 8.52 -20.18 -45.60 8.50 -21.17 -45.69 6.74 -18.73 -44.84 6.84 -19.28 -43.74 7.46 -19.29 -46.06 6.51 -19.93 -47.07 2 0 22.71-999 ?-999 ?-999 ? CL CL D 144 mTRP.D 86 6.07 -17.61 -45.03 6.08 -17.31 -45.99 4.50 -17.82 -43.11 4.59 -17.81 -41.90 5.40 -16.92 -43.93 4.65 -15.72 -44.46 3 0 19.18-999 ?-999 ?-999 ? CL CL D 144 mHIS.D 87 3.71 -18.66 -43.77 3.82 -18.63 -44.76 3.41 -20.68 -42.31 2.87 -21.14 -41.32 2.76 -19.53 -43.08 1.66 -20.08 -44.01 3 0 20.74-999 ?-999 ?-999 ? CL CL D 144 mGLN.D 88 4.57 -21.14 -42.78 4.85 -20.75 -43.65 5.89 -21.52 -40.78 5.97 -22.17 -39.74 5.33 -22.14 -42.06 6.49 -22.69 -42.91 2 0 23.40-999 ?-999 ?-999 ? CL CL D 144 mLEU.D 89 6.30 -20.26 -40.87 6.24 -19.86 -41.78 5.67 -19.42 -38.66 5.92 -19.52 -37.45 6.79 -19.56 -39.70 7.30 -18.17 -40.08 3 0 20.93-999 ?-999 ?-999 ? CL CL D 144 mVAL.D 90 4.44 -19.17 -39.12 4.38 -19.08 -40.11 2.96 -20.39 -37.55 2.81 -20.47 -36.35 3.30 -19.06 -38.19 2.06 -18.42 -38.85 3 0 19.40-999 ?-999 ?-999 ? CL CL D 144 mGLN.D 91 2.92 -21.45 -38.35 3.10 -21.24 -39.31 3.71 -23.30 -36.91 3.39 -23.86 -35.86 2.62 -22.79 -37.87 2.39 -23.74 -39.06 2 0 22.97-999 ?-999 ?-999 ? CL CL D 144 mGLN.D 92 4.98 -23.10 -37.24 5.12 -22.67 -38.14 5.99 -22.68 -35.04 6.23 -23.21 -33.96 6.07 -23.50 -36.33 7.46 -23.36 -36.97 2 0 24.02-999 ?-999 ?-999 ? O3S EPE D 146 mALA.D 93 5.60 -21.41 -35.13 5.42 -21.09 -36.06 4.39 -21.17 -33.01 4.58 -21.14 -31.82 5.45 -20.58 -33.92 5.11 -19.19 -34.27 2 0 20.51-999 ?-999 ?-999 ? O3S EPE D 146 mLYS.D 94 3.29 -21.67 -33.57 3.26 -21.58 -34.57 2.72 -23.48 -31.99 2.30 -23.72 -30.86 2.22 -22.30 -32.78 1.05 -22.81 -33.64 2 0 21.51-999 ?-999 ?-999 ? O3S EPE D 146 mGLU.D 95 3.61 -24.25 -32.60 3.84 -23.93 -33.52 5.13 -25.02 -30.85 5.17 -25.64 -29.81 4.18 -25.44 -31.98 4.93 -26.31 -33.03 2 0 24.69-999 ?-999 ?-999 ? O3S EPE D 146 mILE.D 96 5.84 -23.93 -31.05 5.63 -23.46 -31.90 6.25 -22.65 -28.93 6.67 -22.82 -27.80 6.83 -23.48 -30.08 7.96 -22.64 -30.81 3 0 23.14-999 ?-999 ?-999 ? O3S EPE D 146 mGLY.D 97 5.29 -21.77 -29.21 4.99 -21.79 -30.16 3.22 -20.75 -28.25 2.54 -21.57 -28.80 4.73 -20.88 -28.20-999.99-999.99-999.99 1 0 19.88-999 ?-999 ?-999 ? O8 EPE D 146 mGLU^D 98 2.72 -19.67 -27.66 3.42 -19.05 -27.31 0.83 -18.50 -28.67 0.84 -17.27 -28.52 1.29 -19.43 -27.55 0.99 -18.82 -26.19 2 0 17.89-999 ?-999 ?-999 ? O8 EPE D 146 mVAL^D 99 0.45 -19.09 -29.79 0.46 -20.09 -29.78 -1.39 -18.71 -31.31 -1.65 -19.85 -31.50 0.04 -18.32 -30.94 0.98 -18.58 -32.13 3 0 17.32-999 ?-999 ?-999 ? O3S EPE D 146 mLYS^D 100 -2.28 -17.75 -31.42 -1.91 -16.84 -31.20 -3.92 -17.24 -33.14 -3.53 -16.08 -33.30 -3.65 -17.98 -31.83 -4.62 -17.53 -30.73 2 0 16.68-999 ?-999 ?-999 ? CL CL D 145 mVAL^D 101 -4.55 -17.93 -34.08 -4.79 -18.86 -33.79 -6.39 -17.31 -35.56 -7.11 -18.31 -35.45 -4.88 -17.41 -35.41 -4.35 -18.37 -36.49 3 0 15.80-999 ?-999 ?-999 ? CL CL D 145 mPHE^D 102 -6.84 -16.08 -35.78 -6.13 -15.39 -35.86 -8.53 -15.24 -37.31 -7.72 -14.56 -37.91 -8.23 -15.76 -35.91 -8.64 -14.70 -34.89 3 0 12.40-999 ?-999 ?-999 ? CL CL D 145 mALA^D 103 -9.72 -15.56 -37.81 -10.26 -16.15 -37.20 -11.37 -14.15 -38.82 -12.18 -14.40 -37.96 -10.21 -15.10 -39.10 -10.65 -16.28 -39.96 2 0 12.21-999 ?-999 ?-999 ? CL CL D 145 mCYH^D 104 -11.40 -13.05 -39.56 -10.64 -12.99 -40.21 -13.75 -12.44 -40.06 -13.81 -12.65 -41.24 -12.42 -12.02 -39.45 -11.94 -10.80 -40.22 2 0 9.94-999 ?-999 ?-999 ? CL CL D 145 mSER~D 105 -14.81 -12.49 -39.26 -14.63 -12.21 -38.31 -16.73 -11.93 -40.76 -17.37 -12.37 -41.68 -16.11 -12.90 -39.74 -17.07 -13.09 -38.57 2 0 9.11-999 ?-999 ?-999 ? CL CL D 145 mTHR~D 106 -16.48 -10.63 -40.62 -15.88 -10.40 -39.86 -16.53 -9.80 -42.96 -17.30 -9.82 -43.91 -17.08 -9.66 -41.54 -16.93 -8.21 -41.06 2 0 9.98-999 ?-999 ?-999 ? CL CL D 145 mTHR~D 107 -15.22 -9.90 -43.06 -14.73 -9.84 -42.20 -15.00 -11.38 -44.98 -15.09 -11.47 -46.20 -14.57 -10.09 -44.34 -13.03 -10.19 -44.15 2 0 13.17-999 ?-999 ?-999 ? CL CL D 145 mMETD 108 -15.23 -12.41 -44.17 -15.08 -12.24 -43.19 -16.99 -13.55 -45.44 -17.17 -14.19 -46.46 -15.66 -13.69 -44.73 -15.71 -14.80 -43.69 2 0 14.05-999 ?-999 ?-999 ? CL CL D 145 mGLU~D 109 -17.89 -12.73 -44.91 -17.62 -12.32 -44.03 -18.91 -11.65 -46.85 -19.47 -11.97 -47.87 -19.15 -12.45 -45.58 -20.08 -11.68 -44.67 2 0 14.42-999 ?-999 ?-999 ? CL CL D 145 mPHE~D 110 -18.07 -10.63 -46.80 -17.66 -10.47 -45.90 -17.19 -10.61 -49.14 -17.41 -10.26 -50.27 -17.79 -9.82 -47.98 -16.82 -8.65 -47.71 3 0 16.39-999 ?-999 ?-999 ? CL CL D 145 mPHE~D 111 -16.39 -11.63 -48.85 -16.28 -11.80 -47.87 -16.33 -13.78 -50.13 -15.80 -14.55 -50.93 -15.74 -12.40 -49.90 -14.23 -12.47 -49.60 3 0 18.70-999 ?-999 ?-999 ? CL CL D 145 mGLY.D 112 -17.44 -14.07 -49.45 -17.77 -13.32 -48.88 -17.25 -16.53 -49.14 -17.37 -17.59 -49.72 -18.11 -15.35 -49.53-999.99-999.99-999.99 1 0 18.96-999 ?-999 ?-999 ? CL CL D 145 mILE.D 113 -16.40 -16.35 -48.13 -16.41 -15.43 -47.76 -16.23 -18.10 -46.47 -16.82 -17.44 -45.60 -15.53 -17.41 -47.63 -14.18 -16.82 -47.10 3 0 18.16-999 ?-999 ?-999 ? CL CL D 145 mLYS~D 114 -16.17 -19.43 -46.44 -15.69 -19.83 -47.22 -15.65 -20.84 -44.53 -14.51 -20.92 -44.99 -16.78 -20.20 -45.36 -17.80 -21.18 -45.94 2 0 17.66-999 ?-999 ?-999 ? CL CL D 145 mARG~D 115 -15.97 -21.27 -43.31 -16.93 -21.16 -43.07 -14.15 -22.98 -43.06 -12.93 -23.06 -42.89 -14.98 -21.87 -42.40 -15.68 -22.37 -41.13 2 0 16.91-999 ?-999 ?-999 ? CL CL D 145 mGLU~D 116 -14.83 -23.83 -43.81 -15.81 -23.62 -43.88 -13.15 -24.57 -45.49 -12.28 -25.38 -45.81 -14.21 -24.96 -44.47 -15.28 -25.82 -45.16 2 0 20.68-999 ?-999 ?-999 ? CL CL D 145 mASP~D 117 -13.24 -23.34 -46.01 -14.01 -22.81 -45.66 -10.98 -22.37 -46.34 -10.00 -22.08 -47.01 -12.28 -22.84 -46.99 -12.87 -21.66 -47.77 2 0 21.31-999 ?-999 ?-999 ? CL CL D 145 mLEU~D 118 -10.98 -22.26 -45.03 -11.82 -22.58 -44.58 -8.78 -22.75 -43.96 -9.11 -23.89 -43.74 -9.81 -21.71 -44.35 -10.29 -21.00 -43.10 3 0 19.58-999 ?-999 ?-999 ? CL CL D 145 mALA.D 119 -7.52 -22.33 -43.86 -7.38 -21.37 -44.10 -6.78 -23.86 -42.09 -7.46 -23.24 -41.24 -6.44 -23.22 -43.43 -5.13 -22.44 -43.31 2 0 21.60-999 ?-999 ?-999 ? CL CL D 145 mGLU.D 120 -6.29 -25.08 -41.89 -5.74 -25.41 -42.65 -6.01 -25.16 -39.43 -6.55 -25.34 -38.36 -6.54 -25.86 -40.67 -5.91 -27.27 -40.78 2 0 22.08-999 ?-999 ?-999 ? CL CL D 145 mPHE.D 121 -4.99 -24.32 -39.59 -4.70 -24.19 -40.54 -5.11 -22.46 -37.93 -4.64 -21.85 -36.99 -4.36 -23.66 -38.47 -2.88 -23.37 -38.82 3 0 20.93-999 ?-999 ?-999 ? CL CL D 145 mVAL.D 122 -6.26 -22.14 -38.51 -6.49 -22.68 -39.32 -7.80 -21.64 -36.77 -8.36 -22.73 -36.83 -7.11 -21.08 -38.01 -8.15 -20.65 -39.06 3 0 17.24-999 ?-999 ?-999 ? CL CL D 145 mASP.D 123 -7.70 -20.93 -35.66 -7.20 -20.08 -35.78 -9.72 -20.96 -34.22 -10.49 -21.70 -33.60 -8.27 -21.36 -34.39 -7.43 -20.78 -33.24 2 0 15.73-999 ?-999 ?-999 ? CL CL D 145 mASP^D 124 -10.11 -19.81 -34.75 -9.42 -19.29 -35.25 -11.81 -18.24 -35.53 -10.91 -17.59 -36.08 -11.48 -19.37 -34.58 -11.65 -18.88 -33.14 2 0 12.37-999 ?-999 ?-999 ? CL CL D 145 mVAL^D 125 -13.11 -18.03 -35.73 -13.68 -18.67 -35.22 -14.31 -16.03 -35.60 -15.13 -16.46 -34.81 -13.66 -16.98 -36.59 -14.74 -17.51 -37.58 3 0 10.15-999 ?-999 ?-999 ? CL CL D 145 mVAL^D 126 -13.92 -14.76 -35.63 -13.29 -14.53 -36.37 -14.57 -12.43 -35.24 -14.16 -12.17 -36.38 -14.39 -13.80 -34.63 -13.35 -13.68 -33.49 3 0 6.51-999 ?-999 ?-999 ? CL CL D 145 mGLY~D 127 -15.23 -11.56 -34.49 -15.58 -11.93 -33.63 -14.39 -9.26 -34.24 -13.54 -9.66 -33.41 -15.41 -10.19 -34.89-999.99-999.99-999.99 1 0 4.19-999 ?-999 ?-999 ? CL CL D 145 mVAL~D 128 -14.48 -8.00 -34.62 -15.24 -7.85 -35.25 -13.44 -6.75 -32.70 -12.32 -6.61 -32.17 -13.59 -6.93 -34.19 -14.07 -5.54 -34.81 3 0 5.44-999 ?-999 ?-999 ? CL CL D 145 mALA~D 129 -14.56 -6.71 -32.02 -15.38 -6.83 -32.56 -13.73 -7.59 -29.89 -13.03 -7.37 -28.87 -14.52 -6.51 -30.58 -15.90 -6.50 -30.00 2 0 -4.36-999 ?-999 ?-999 ? CL CL D 145s mTHR~D 130 -13.86 -8.79 -30.42 -14.48 -8.86 -31.20 -11.65 -9.65 -29.94 -10.90 -9.88 -28.99 -13.12 -9.89 -29.84 -13.48 -11.19 -30.54 2 0 5.06-999 ?-999 ?-999 ? CL CL D 145 mPHE~D 131 -11.20 -9.17 -31.10 -11.94 -9.18 -31.77 -9.33 -7.71 -30.43 -8.24 -7.74 -29.89 -9.80 -8.68 -31.40 -9.72 -7.84 -32.74 3 0 8.03-999 ?-999 ?-999 ? CL CL D 145 mLEU~D 132 -10.13 -6.71 -30.27 -10.98 -6.77 -30.78 -9.52 -6.09 -27.99 -8.61 -5.62 -27.29 -9.75 -5.62 -29.41 -10.90 -4.61 -29.31 3 0 9.08-999 ?-999 ?-999 ? CL CL D 145 mASP~D 133 -10.41 -6.93 -27.50 -11.16 -7.16 -28.12 -9.01 -8.22 -26.00 -8.29 -8.10 -25.03 -10.27 -7.43 -26.16 -11.36 -8.42 -25.83 2 0 9.47-999 ?-999 ?-999 ? CL CL D 145 mARG~D 134 -8.72 -9.05 -26.97 -9.37 -9.06 -27.74 -6.27 -9.05 -26.97 -5.29 -9.32 -26.28 -7.55 -9.86 -26.89 -7.59 -10.97 -27.99 2 0 11.32-999 ?-999 ?-999 ? CL CL D 145 mALA~D 135 -6.28 -7.98 -27.75 -7.14 -7.80 -28.23 -4.85 -6.20 -26.76 -3.73 -5.66 -26.66 -5.15 -7.14 -27.91 -5.30 -6.27 -29.15 2 0 8.21-999 ?-999 ?-999 ? O2S EPE D 146 mGLU~D 136 -5.87 -5.90 -25.97 -6.72 -6.40 -26.15 -4.56 -5.17 -24.02 -4.34 -6.29 -23.54 -5.75 -4.91 -24.93 -7.08 -4.84 -24.11 2 0 6.68-999 ?-999 ?-999 ? C5 EPE D 146 mGLY.D 137 -3.77 -4.13 -23.79 -4.04 -3.31 -24.29 -1.34 -4.67 -23.52 -0.31 -4.57 -22.91 -2.63 -4.20 -22.88-999.99-999.99-999.99 1 0 -3.82-999 ?-999 ?-999 ? C5 EPE D 146s mGLY.D 138 -1.35 -5.13 -24.74 -2.27 -5.17 -25.15 0.31 -4.66 -26.53 -0.33 -3.69 -26.79 -0.06 -5.55 -25.38-999.99-999.99-999.99 1 0 -5.03-999 ?-999 ?-999 ? N1 EPE D 146s mTHR^D 139 1.35 -5.03 -27.28 1.83 -5.84 -26.96 0.77 -4.70 -29.58 0.50 -5.90 -29.77 1.72 -4.29 -28.47 3.16 -4.57 -28.82 2 0 -3.38-999 ?-999 ?-999 ? O3S EPE D 146s mTHR^D 140 0.25 -3.74 -30.34 0.59 -2.82 -30.14 -0.36 -3.29 -32.65 -0.06 -2.06 -32.59 -0.72 -4.04 -31.39 -2.12 -3.63 -30.92 2 0 -3.96-999 ?-999 ?-999 ? O3S EPE D 146s mLEU^D 141 -0.32 -4.03 -33.76 -0.56 -4.99 -33.60 -1.04 -3.84 -36.12 -1.70 -4.86 -36.03 0.04 -3.54 -35.07 1.32 -4.22 -35.57 3 0 3.88-999 ?-999 ?-999 ? CL CL D 144 mPHE^D 142 -1.14 -2.96 -37.12 -0.56 -2.16 -37.00 -1.06 -3.23 -39.46 -0.34 -2.25 -39.77 -2.01 -3.15 -38.27 -2.97 -1.98 -38.43 3 0 -4.07-999 ?-999 ?-999 ? CL CL D 144s mILE^D 143 -1.02 -4.39 -40.10 -1.67 -5.07 -39.75 -0.91 -4.96 -42.55 -1.63 -5.96 -42.60 -0.13 -4.65 -41.22 0.79 -5.82 -40.90 3 0 6.50-999 ?-999 ?-999 ? CL CL D 144