HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 21-JUN-04 1TSJ COMPND CONSERVED HYPOTHETICAL PROTEIN; COMPND 3 CHAIN: A; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS SUBSP. AUREUS; SOURCE 3 ORGANISM_TAXID: 46170; SOURCE 4 STRAIN: SUBSP. AUREUS; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3); SOURCE 6 EXPRESSION_SYSTEM_TAXID: 469008; SOURCE 7 EXPRESSION_SYSTEM_STRAIN: BL21(DE3); SOURCE 8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 9 EXPRESSION_SYSTEM_PLASMID: MODIFIED PET26B AUTHOR T.MIN,J.GORMAN,L.SHAPIRO,S.K.BURLEY,NEW YORK SGX RESEARCH CENTER FOR AUTHOR 2 STRUCTURAL GENOMICS (NYSGXRC) HET MSE A 11 8 HET MSE A 35 8 HET MSE A 62 8 HET MSE A 90 8 HET MSE A 105 8 HET MSE A 110 8 mMET.A 1 54.57 -1.50 -12.17 54.47 -1.68 -13.15 54.08 0.15 -10.34 54.73 1.14 -9.86 54.73 -1.23 -10.69 56.24 -1.27 -10.33 2 0 1000.00-999 ?-999 ?-999 ? mASP.A 2 52.82 0.25 -10.64 52.35 -0.58 -10.95 51.18 1.53 -9.39 50.31 0.68 -9.34 52.23 1.56 -10.49 51.74 2.10 -11.83 2 0 1000.00-999 ?-999 ?-999 ? mILE.A 3 51.35 2.42 -8.43 51.96 3.18 -8.64 49.56 3.23 -7.28 49.69 4.20 -7.99 50.67 2.26 -7.18 51.66 2.41 -5.93 3 0 1000.00-999 ?-999 ?-999 ? mPRO.A 4 48.38 2.89 -6.74 48.32 1.99 -6.32 47.50 5.09 -5.96 48.32 5.10 -5.00 47.29 3.81 -6.78 46.16 2.92 -6.30 3 0 1000.00-999 ?-999 ?-999 ? mLYS.A 5 46.77 6.16 -6.34 46.22 6.01 -7.16 46.57 7.16 -4.17 47.24 7.77 -3.40 46.78 7.44 -5.62 45.87 8.62 -6.14 2 0 1000.00-999 ?-999 ?-999 ? mILE^A 6 45.69 6.20 -3.81 45.24 5.78 -4.60 45.59 4.29 -2.22 44.80 3.51 -2.76 45.40 5.79 -2.40 43.98 6.20 -2.02 3 0 1000.00-999 ?-999 ?-999 ? mTHR^A 7 46.56 3.91 -1.41 47.05 4.68 -0.99 46.51 2.20 0.27 46.83 2.91 1.17 46.91 2.55 -1.13 48.39 2.39 -1.27 2 0 1000.00-999 ?-999 ?-999 ? mTHR^A 8 45.83 1.06 0.50 45.56 0.56 -0.32 46.85 0.11 2.40 47.56 -0.63 1.71 45.53 0.64 1.88 44.51 -0.42 1.85 2 0 1000.00-999 ?-999 ?-999 ? mPHE^A 9 47.17 0.55 3.60 46.42 1.02 4.08 48.25 -0.37 5.53 47.56 0.10 6.52 48.44 0.39 4.20 49.03 1.80 4.38 3 0 1000.00-999 ?-999 ?-999 ? mLEU^A 10 48.84 -1.54 5.57 49.35 -1.81 4.75 50.01 -2.36 7.53 51.11 -2.49 7.00 48.72 -2.35 6.75 48.28 -3.74 6.46 3 0 1000.00-999 ?-999 ?-999 ? mMETA 11 49.85 -2.16 8.81 48.89 -2.07 9.08 50.81 -3.17 10.70 49.75 -3.25 11.25 50.98 -2.09 9.73 50.94 -0.80 10.49 2 0 1000.00-999 ?-999 ?-999 ? mPHE^A 12 51.82 -4.01 10.86 52.59 -3.80 10.25 52.85 -5.05 12.94 53.71 -4.10 12.95 51.77 -5.16 11.83 51.90 -6.49 11.15 3 0 1000.00-999 ?-999 ?-999 ? mASN^A 13 52.76 -5.99 13.89 52.05 -6.68 13.77 55.06 -6.31 14.59 55.97 -5.41 14.46 53.68 -5.94 15.00 53.22 -6.80 16.13 2 0 1000.00-999 ?-999 ?-999 ? mASN^A 14 55.26 -7.59 14.39 54.60 -8.21 14.81 55.88 -9.17 12.89 56.33 -10.25 13.12 56.39 -7.98 13.58 57.53 -8.26 14.47 2 0 1000.00-999 ?-999 ?-999 ? mGLN^A 15 54.84 -8.93 12.12 54.61 -7.97 11.96 53.76 -9.78 10.09 52.88 -10.43 9.50 54.10 -10.00 11.56 52.84 -10.23 12.39 2 0 1000.00-999 ?-999 ?-999 ? mALA^A 16 54.50 -8.89 9.47 55.28 -8.53 9.98 54.45 -9.59 7.14 53.66 -9.88 6.31 54.12 -8.50 8.14 54.81 -7.17 7.75 2 0 1000.00-999 ?-999 ?-999 ? mGLU^A 17 55.63 -10.17 7.21 56.22 -9.83 7.94 55.00 -12.42 6.28 54.54 -12.88 5.24 55.97 -11.24 6.26 57.41 -11.62 6.48 2 0 1000.00-999 ?-999 ?-999 ? mGLU^A 18 54.61 -12.84 7.45 55.12 -12.44 8.21 52.12 -13.32 7.07 51.44 -14.15 6.43 53.52 -13.79 7.60 53.32 -14.20 9.11 2 0 1000.00-999 ?-999 ?-999 ? mALA^A 19 51.65 -12.11 7.48 52.23 -11.61 8.12 50.38 -11.52 5.55 49.52 -12.14 4.90 50.39 -11.55 7.04 50.25 -10.18 7.48 2 0 1000.00-999 ?-999 ?-999 ? mVAL^A 20 51.36 -10.84 4.95 51.96 -10.33 5.57 51.43 -12.25 2.87 50.74 -12.44 1.89 51.51 -10.86 3.48 52.82 -10.24 3.10 3 0 1000.00-999 ?-999 ?-999 ? mLYS^A 21 52.20 -13.19 3.44 52.68 -12.83 4.25 51.01 -15.28 2.95 50.64 -15.98 1.99 52.33 -14.60 2.95 53.32 -15.42 3.76 2 0 1000.00-999 ?-999 ?-999 ? mLEU^A 22 50.25 -14.89 3.95 50.70 -14.21 4.53 47.91 -14.89 3.19 47.02 -15.66 2.64 48.90 -15.40 4.18 48.41 -15.05 5.62 3 0 1000.00-999 ?-999 ?-999 ? mTYR^A 23 47.96 -13.60 2.93 48.69 -13.07 3.35 47.20 -13.38 0.56 46.35 -13.65 -0.27 46.91 -13.09 2.05 46.76 -11.56 2.26 3 0 1000.00-999 ?-999 ?-999 ? mTHR^A 24 48.45 -13.21 0.23 48.98 -12.83 0.99 48.60 -14.98 -1.50 48.20 -15.27 -2.60 49.01 -13.54 -1.10 50.65 -13.26 -0.97 2 0 1000.00-999 ?-999 ?-999 ? mSER^A 25 48.71 -15.91 -0.55 49.00 -15.49 0.30 46.94 -17.66 -0.97 46.57 -18.33 -1.91 48.43 -17.38 -0.73 48.99 -18.16 0.48 2 0 1000.00-999 ?-999 ?-999 ? mLEU^A 26 46.08 -17.01 -0.21 46.51 -16.44 0.49 43.96 -16.54 -1.59 43.02 -17.06 -2.09 44.62 -17.14 -0.41 43.98 -16.44 0.72 3 0 1000.00-999 ?-999 ?-999 ? mPHE^A 27 44.34 -15.32 -1.88 45.13 -15.02 -1.34 44.36 -14.83 -4.16 45.58 -15.06 -4.16 43.65 -14.52 -2.89 43.71 -12.94 -2.70 3 0 1000.00-999 ?-999 ?-999 ? mGLU^A 28 43.63 -14.72 -5.24 42.76 -14.25 -5.13 45.07 -14.38 -7.05 46.24 -14.74 -6.96 44.03 -15.22 -6.45 42.84 -15.35 -7.40 2 0 1000.00-999 ?-999 ?-999 ? mASP^A 29 44.74 -13.35 -7.77 43.82 -13.00 -7.60 46.72 -11.99 -7.96 46.85 -10.80 -8.15 45.72 -12.83 -8.74 44.96 -12.00 -9.76 2 0 1000.00-999 ?-999 ?-999 ? mSER^A 30 47.48 -12.60 -7.08 47.52 -13.59 -7.15 49.67 -12.25 -5.97 50.05 -13.21 -6.43 48.18 -11.83 -6.10 47.34 -11.89 -4.86 2 0 1000.00-999 ?-999 ?-999 ? mGLU^A 31 50.55 -11.41 -5.47 50.14 -10.63 -5.00 52.71 -10.60 -4.71 52.38 -9.45 -4.64 51.96 -11.60 -5.59 52.33 -11.36 -7.00 2 0 1000.00-999 ?-999 ?-999 ? mILE^A 32 53.78 -11.03 -4.06 53.93 -12.02 -4.06 55.49 -9.37 -4.43 56.32 -9.99 -5.08 54.62 -10.11 -3.39 55.45 -10.81 -2.38 3 0 1000.00-999 ?-999 ?-999 ? mILE^A 33 55.28 -8.05 -4.62 54.53 -7.58 -4.14 57.43 -6.83 -4.86 58.41 -6.71 -5.49 56.14 -7.41 -5.51 55.40 -6.50 -6.55 3 0 1000.00-999 ?-999 ?-999 ? mTHR^A 34 57.51 -6.58 -3.57 56.74 -6.96 -3.06 58.53 -6.17 -1.50 57.46 -6.02 -0.88 58.64 -5.84 -2.96 58.44 -4.28 -3.14 2 0 1000.00-999 ?-999 ?-999 ? mMETA 35 59.63 -6.68 -0.97 60.31 -7.04 -1.61 61.21 -6.27 0.79 62.20 -6.83 0.30 59.85 -6.73 0.40 59.77 -8.15 0.81 2 0 1000.00-999 ?-999 ?-999 ? mALA^A 36 61.29 -5.37 1.76 60.41 -5.01 2.08 62.49 -5.09 3.77 61.56 -4.61 4.35 62.55 -4.94 2.30 62.86 -3.57 1.91 2 0 1000.00-999 ?-999 ?-999 ? mLYS^A 37 63.48 -5.79 4.34 64.14 -6.18 3.70 64.53 -4.98 6.43 65.40 -4.37 5.76 63.60 -5.98 5.78 64.17 -7.32 6.09 2 0 1000.00-999 ?-999 ?-999 ? mTYR^A 38 64.41 -4.83 7.73 63.60 -5.27 8.13 66.75 -4.78 8.72 66.78 -5.93 9.23 65.41 -4.07 8.47 64.86 -3.70 9.83 3 0 1000.00-999 ?-999 ?-999 ? mGLY^A 39 67.85 -4.05 8.44 67.61 -3.13 8.12 69.65 -4.89 10.01 68.85 -4.68 10.94 69.27 -4.53 8.57-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mASP^A 45 63.96 -3.21 14.13 63.93 -2.24 13.91 64.34 -5.47 13.20 63.64 -5.42 12.12 64.01 -4.69 14.46 62.73 -5.40 14.99 2 0 1000.00-999 ?-999 ?-999 ? mPRO^A 46 65.42 -6.21 13.29 65.77 -6.32 14.23 65.24 -7.97 11.59 64.77 -8.73 12.42 66.01 -6.79 12.06 67.44 -7.18 12.48 3 0 1000.00-999 ?-999 ?-999 ? mGLY^A 47 65.10 -8.13 10.30 65.56 -7.44 9.73 62.86 -8.84 9.66 62.09 -9.44 8.87 64.32 -9.26 9.80-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mTHR^A 48 62.49 -7.78 10.36 63.14 -7.45 11.04 61.01 -6.44 8.78 61.97 -6.01 8.17 61.21 -7.16 10.11 60.92 -6.18 11.20 2 0 1000.00-999 ?-999 ?-999 ? mVAL^A 49 59.75 -6.32 8.32 59.04 -6.69 8.91 59.58 -4.16 7.20 59.06 -3.61 8.14 59.49 -5.66 7.03 58.16 -6.11 6.46 3 0 1000.00-999 ?-999 ?-999 ? mGLN^A 50 60.29 -3.53 6.31 60.75 -4.13 5.66 59.47 -1.63 5.22 58.86 -0.61 5.30 60.38 -2.09 6.28 61.77 -1.68 5.83 2 0 1000.00-999 ?-999 ?-999 ? mHIS^A 51 59.43 -2.38 4.16 59.96 -3.23 4.16 58.19 -3.18 2.32 59.06 -3.93 1.91 58.63 -1.92 3.09 59.47 -0.92 2.23 3 0 1000.00-999 ?-999 ?-999 ? mSER^A 52 56.86 -3.38 2.12 56.29 -2.75 2.65 55.24 -3.78 0.34 54.45 -3.02 0.76 56.29 -4.41 1.22 55.63 -5.59 2.01 2 0 1000.00-999 ?-999 ?-999 ? mILE^A 53 55.24 -4.19 -0.91 56.04 -4.72 -1.17 53.76 -5.23 -2.41 54.55 -5.94 -3.01 54.19 -3.90 -1.82 54.69 -3.02 -2.92 3 0 1000.00-999 ?-999 ?-999 ? mPHE^A 54 52.49 -5.54 -2.29 51.92 -4.85 -1.83 50.67 -6.54 -3.49 50.05 -5.50 -3.41 51.97 -6.78 -2.76 51.93 -7.75 -1.59 3 0 1000.00-999 ?-999 ?-999 ? mTHR^A 55 50.26 -7.52 -4.22 50.95 -8.25 -4.22 48.00 -8.56 -4.29 48.42 -9.52 -3.68 48.99 -7.58 -4.93 49.35 -8.05 -6.32 2 0 1000.00-999 ?-999 ?-999 ? mLEU^A 56 46.69 -8.27 -4.36 46.51 -7.35 -4.70 44.58 -8.89 -5.07 44.04 -7.77 -5.06 45.61 -9.18 -4.01 44.94 -8.86 -2.68 3 0 1000.00-999 ?-999 ?-999 ? mASN^A 57 44.27 -9.87 -5.90 44.70 -10.75 -5.66 43.81 -8.62 -7.92 43.06 -7.88 -8.35 43.40 -9.70 -7.05 41.97 -9.51 -6.57 2 0 1000.00-999 ?-999 ?-999 ? mGLY^A 58 45.08 -8.47 -8.11 45.63 -9.16 -7.64 45.57 -6.00 -8.34 45.86 -4.98 -9.02 45.62 -7.39 -8.95-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mGLN^A 59 45.22 -5.93 -7.08 44.99 -6.80 -6.66 46.31 -4.54 -5.47 46.58 -5.45 -4.65 45.17 -4.64 -6.41 43.91 -4.53 -5.55 2 0 1000.00-999 ?-999 ?-999 ? mVAL^A 60 46.93 -3.38 -5.55 46.49 -2.81 -6.25 47.88 -2.52 -3.29 47.11 -1.59 -3.02 48.12 -2.96 -4.72 48.89 -1.89 -5.43 3 0 1000.00-999 ?-999 ?-999 ? mPHE^A 61 48.54 -3.26 -2.40 49.06 -4.01 -2.79 49.94 -2.79 -0.56 50.89 -2.99 -1.27 48.52 -3.04 -1.03 47.93 -4.30 -0.37 3 0 1000.00-999 ?-999 ?-999 ? mMETA 62 50.11 -2.35 0.64 49.26 -2.09 1.10 51.28 -2.71 2.65 50.26 -2.57 3.29 51.39 -2.24 1.23 51.81 -0.80 1.31 2 0 1000.00-999 ?-999 ?-999 ? mALA^A 63 52.37 -3.26 3.17 53.13 -3.40 2.53 53.82 -3.27 5.14 54.78 -3.22 4.37 52.41 -3.62 4.58 52.07 -5.07 4.74 2 0 1000.00-999 ?-999 ?-999 ? mILE^A 64 53.91 -2.90 6.43 53.05 -2.65 6.88 55.18 -3.45 8.51 54.17 -3.72 9.08 55.17 -2.88 7.08 55.67 -1.46 7.14 3 0 1000.00-999 ?-999 ?-999 ? mASP^A 65 56.38 -3.61 9.03 57.09 -3.31 8.39 56.65 -5.79 10.44 55.57 -6.42 10.63 56.68 -4.17 10.37 55.86 -3.35 11.44 2 0 1000.00-999 ?-999 ?-999 ? mPRO^A 77 47.93 2.54 11.64 48.33 3.40 11.33 46.97 0.29 10.83 47.60 -0.72 10.50 47.32 1.22 12.12 46.06 1.71 12.93 3 0 1000.00-999 ?-999 ?-999 ? mILE^A 78 46.01 0.75 10.03 45.52 1.55 10.37 45.36 1.26 7.83 44.45 1.05 6.99 45.75 0.11 8.77 44.56 -0.93 8.92 3 0 1000.00-999 ?-999 ?-999 ? mSER^A 79 46.09 2.36 7.91 46.80 2.28 8.62 45.78 3.63 5.62 45.66 2.66 4.90 45.94 3.57 7.13 47.10 4.51 7.52 2 0 1000.00-999 ?-999 ?-999 ? mLEU^A 80 45.66 4.85 5.13 45.63 5.56 5.85 46.77 5.91 3.27 47.04 6.91 3.78 45.59 5.13 3.68 44.34 5.93 3.29 3 0 1000.00-999 ?-999 ?-999 ? mPHE^A 81 47.46 5.42 2.31 47.02 4.67 1.82 48.46 6.59 0.64 48.24 5.97 -0.43 48.71 5.91 1.98 49.77 4.76 1.93 3 0 1000.00-999 ?-999 ?-999 ? mVAL^A 82 48.55 7.93 0.74 48.77 8.28 1.65 49.66 9.34 -0.96 50.45 10.09 -0.38 48.34 8.79 -0.35 47.24 9.92 0.04 3 0 1000.00-999 ?-999 ?-999 ? mTHR^A 83 49.86 8.90 -2.18 49.31 8.10 -2.40 50.29 10.81 -3.76 49.43 10.87 -4.69 50.79 9.48 -3.11 51.09 8.49 -4.18 2 0 1000.00-999 ?-999 ?-999 ? mVAL^A 84 50.90 11.87 -3.27 51.64 11.63 -2.65 51.31 13.64 -4.88 52.44 13.13 -5.16 50.57 13.24 -3.57 50.87 14.07 -2.29 3 0 1000.00-999 ?-999 ?-999 ? mLYS^A 85 50.57 14.45 -5.70 49.67 14.65 -5.31 52.04 16.19 -6.89 52.85 16.35 -7.74 51.07 15.00 -7.05 49.94 15.49 -8.03 2 0 1000.00-999 ?-999 ?-999 ? mASP^A 86 51.97 16.97 -5.82 51.50 16.57 -5.03 52.64 18.71 -4.38 51.89 18.17 -3.50 52.53 18.30 -5.81 51.52 19.28 -6.40 2 0 1000.00-999 ?-999 ?-999 ? mILE^A 88 51.50 21.46 -3.55 51.97 21.34 -4.42 48.99 21.05 -2.98 48.16 21.46 -2.10 50.16 22.02 -3.41 49.79 22.70 -4.74 3 0 1000.00-999 ?-999 ?-999 ? mMETA 90 49.75 18.21 -1.40 50.38 18.14 -2.17 49.52 19.16 0.99 49.08 18.79 2.09 50.10 18.17 0.05 51.60 18.30 0.33 2 0 1000.00-999 ?-999 ?-999 ? mGLU^A 91 49.62 20.43 0.61 50.10 20.57 -0.26 47.61 21.33 1.69 47.16 21.25 2.85 49.06 21.50 1.41 49.26 22.84 0.69 2 0 1000.00-999 ?-999 ?-999 ? mARG^A 92 46.88 21.28 0.60 47.39 21.46 -0.24 44.96 19.78 1.46 44.04 19.88 2.30 45.45 21.00 0.64 45.02 20.79 -0.84 2 0 1000.00-999 ?-999 ?-999 ? mLEU^A 93 45.53 18.60 1.20 46.26 18.60 0.53 45.49 17.50 3.35 44.69 17.17 4.30 45.06 17.41 1.89 45.60 16.13 1.25 3 0 1000.00-999 ?-999 ?-999 ? mPHE^A 94 46.74 17.96 3.54 47.26 18.21 2.73 46.30 18.94 5.71 45.71 18.53 6.72 47.26 18.06 4.88 48.76 18.50 4.89 3 0 1000.00-999 ?-999 ?-999 ? mASN^A 95 46.13 20.17 5.26 46.58 20.35 4.39 43.85 20.66 6.14 43.26 20.95 7.15 45.32 21.13 6.01 45.33 22.48 5.25 2 0 1000.00-999 ?-999 ?-999 ? mGLY^A 96 43.28 19.99 5.11 43.89 19.90 4.31 41.69 18.38 6.12 40.67 18.43 6.86 41.93 19.43 5.08-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mLEU^A 97 42.65 17.45 6.24 43.47 17.61 5.69 42.95 16.60 8.57 42.46 15.98 9.53 42.51 16.30 7.12 43.34 15.19 6.51 3 0 1000.00-999 ?-999 ?-999 ? mLYS^A 98 43.85 17.53 8.72 44.09 18.03 7.89 43.46 18.40 10.91 43.64 18.39 12.14 44.45 17.79 9.99 45.59 18.75 9.79 2 0 1000.00-999 ?-999 ?-999 ? mASP^A 99 42.40 18.96 10.36 42.42 18.98 9.36 40.68 18.65 12.31 40.13 17.55 12.09 41.29 19.50 11.22 40.11 19.95 10.36 2 0 1000.00-999 ?-999 ?-999 ? mGLU^A 100 40.68 19.26 13.49 40.98 20.22 13.46 41.01 17.24 14.69 40.63 16.32 15.42 40.30 18.61 14.70 38.76 18.55 14.85 2 0 1000.00-999 ?-999 ?-999 ? mGLY^A 101 42.14 17.15 13.95 42.43 17.97 13.47 44.15 15.84 14.64 44.69 16.89 15.13 42.87 15.90 13.88-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mALA^A 102 44.65 14.60 14.71 44.05 13.87 14.39 47.00 14.36 14.13 46.81 13.74 13.16 45.99 14.40 15.23 46.11 13.13 16.09 2 0 1000.00-999 ?-999 ?-999 ? mILE^A 103 48.10 15.04 14.35 48.05 15.63 15.15 50.18 13.97 14.15 50.68 14.20 15.20 49.26 14.98 13.55 49.83 16.30 13.48 3 0 1000.00-999 ?-999 ?-999 ? mLEU^A 104 50.35 12.82 13.50 49.80 12.75 12.67 52.70 12.09 13.53 53.68 11.79 14.20 51.24 11.78 13.95 50.77 10.40 13.45 3 0 1000.00-999 ?-999 ?-999 ? mMETA 105 52.81 12.74 12.40 51.96 12.79 11.87 53.72 14.41 10.95 52.89 14.26 10.03 54.00 13.31 11.93 54.74 12.27 11.21 2 0 1000.00-999 ?-999 ?-999 ? mPRO^A 106 54.38 15.56 11.15 55.05 15.51 11.89 54.91 16.78 9.13 55.65 15.87 8.95 54.08 16.76 10.32 54.43 17.91 11.18 3 0 1000.00-999 ?-999 ?-999 ? mLYS^A 107 54.69 17.80 8.29 54.11 18.53 8.65 56.78 17.85 7.14 57.32 18.72 7.87 55.25 17.83 6.97 54.75 19.02 6.12 2 0 1000.00-999 ?-999 ?-999 ? mTHR^A 108 57.44 16.88 6.51 56.93 16.42 5.79 59.46 16.00 5.60 58.90 15.21 4.84 58.79 16.53 6.84 58.85 15.42 7.86 2 0 1000.00-999 ?-999 ?-999 ? mASN^A 109 60.66 16.47 5.39 60.99 17.11 6.08 62.13 14.79 4.58 62.98 14.73 5.47 61.41 16.08 4.22 62.38 17.21 3.81 2 0 1000.00-999 ?-999 ?-999 ? mMETA 110 61.75 13.76 3.90 61.25 13.91 3.05 62.41 11.63 3.33 61.51 11.03 2.79 62.07 12.52 4.43 60.89 11.94 5.18 2 0 1000.00-999 ?-999 ?-999 ? mPRO^A 111 63.70 11.50 2.99 64.36 12.04 3.52 63.53 9.21 2.23 63.34 8.87 3.44 64.07 10.63 1.92 65.60 10.77 1.88 3 0 1000.00-999 ?-999 ?-999 ? mPRO^A 112 63.20 8.45 1.14 63.08 7.50 1.43 61.81 9.84 -0.82 61.42 9.84 -2.05 63.03 8.94 -0.33 62.83 7.64 -1.03 3 0 1000.00-999 ?-999 ?-999 ? mTYR^A 113 61.18 10.55 0.11 61.50 10.44 1.05 60.60 12.85 -0.26 61.41 13.25 0.58 60.10 11.41 -0.26 59.02 11.18 0.74 3 0 1000.00-999 ?-999 ?-999 ? mARG^A 114 60.13 13.67 -1.17 59.65 13.24 -1.94 59.70 15.58 0.36 60.27 16.37 1.16 60.35 15.11 -0.99 59.88 15.90 -2.25 2 0 1000.00-999 ?-999 ?-999 ? mGLU^A 115 58.56 15.03 0.69 58.24 14.31 0.06 56.93 14.30 2.31 56.51 13.49 1.56 57.85 15.46 1.88 57.08 16.69 1.53 2 0 1000.00-999 ?-999 ?-999 ? mPHE^A 116 56.60 14.25 3.56 56.93 14.99 4.13 55.13 13.68 5.23 55.71 14.44 6.01 55.83 13.17 4.02 56.74 12.01 4.39 3 0 1000.00-999 ?-999 ?-999 ? mALA^A 117 53.90 13.24 5.44 53.53 12.66 4.72 52.26 12.44 7.01 51.91 11.61 6.22 53.19 13.59 6.64 52.46 14.88 6.45 2 0 1000.00-999 ?-999 ?-999 ? mTRP^A 118 51.91 12.42 8.27 52.29 13.15 8.84 50.05 12.09 9.74 50.40 12.61 10.80 51.06 11.46 8.78 51.90 10.45 9.55 3 0 1000.00-999 ?-999 ?-999 ? mVAL^A 119 48.78 12.02 9.32 48.66 11.46 8.50 46.52 11.68 10.30 45.97 11.02 9.45 47.65 12.67 9.98 47.01 13.78 9.05 3 0 1000.00-999 ?-999 ?-999 ? mGLN^A 120 46.07 11.69 11.51 46.68 12.09 12.19 43.68 12.22 11.77 43.76 13.21 12.50 44.76 11.16 11.77 44.84 10.59 13.12 2 0 1000.00-999 ?-999 ?-999 ? mASP^A 121 42.66 12.03 10.98 42.65 11.16 10.48 40.72 12.92 12.09 40.85 12.02 12.93 41.66 13.05 10.90 40.85 12.92 9.58 2 0 1000.00-999 ?-999 ?-999 ? mLYS^A 122 39.75 13.85 12.15 39.68 14.43 11.34 38.08 12.80 13.57 37.65 12.62 14.69 38.87 14.00 13.29 37.93 15.19 13.06 2 0 1000.00-999 ?-999 ?-999 ? mPHE^A 123 37.86 11.98 12.56 38.28 12.29 11.71 37.96 9.57 12.97 37.58 8.39 12.97 37.06 10.72 12.73 36.38 10.37 11.47 3 0 1000.00-999 ?-999 ?-999 ? mGLY^A 124 39.21 9.81 13.04 39.53 10.75 12.91 40.65 7.85 12.21 41.31 6.99 12.56 39.98 8.61 13.31-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mVAL^A 125 40.58 8.20 10.96 40.03 9.03 10.80 42.62 8.04 9.62 42.79 9.26 9.41 41.22 7.45 9.91 40.35 7.60 8.63 3 0 1000.00-999 ?-999 ?-999 ? mSER^A 126 43.61 7.15 9.46 43.33 6.19 9.51 45.15 7.71 7.82 44.71 6.80 7.12 44.99 7.59 9.24 45.95 6.53 9.70 2 0 1000.00-999 ?-999 ?-999 ? mPHE^A 127 45.73 8.84 7.44 45.81 9.49 8.20 47.69 9.41 6.13 48.15 10.23 6.89 46.22 9.16 6.10 45.59 10.43 5.65 3 0 1000.00-999 ?-999 ?-999 ? mGLN^A 128 48.42 8.70 5.28 47.91 7.94 4.88 49.87 9.74 3.69 49.28 9.21 2.71 49.84 9.03 4.98 50.78 7.82 4.89 2 0 1000.00-999 ?-999 ?-999 ? mLEU^A 129 50.56 10.91 3.73 50.92 11.15 4.64 52.19 11.79 2.13 53.04 12.23 2.88 50.77 11.77 2.59 50.28 13.20 2.87 3 0 1000.00-999 ?-999 ?-999 ? mALA^A 130 52.45 11.31 0.94 51.67 11.14 0.33 54.12 11.78 -0.73 53.50 11.49 -1.76 53.79 11.06 0.59 54.06 9.55 0.47 2 0 1000.00-999 ?-999 ?-999 ? mLEU^A 131 55.07 12.73 -0.72 55.47 12.94 0.17 56.71 12.77 -2.50 57.73 12.93 -1.92 55.45 13.38 -1.97 55.73 14.77 -1.68 3 0 1000.00-999 ?-999 ?-999 ? mPRO^A 132 56.65 12.02 -3.58 55.73 11.98 -3.97 59.11 12.27 -4.55 60.29 12.05 -4.10 57.90 11.34 -4.10 57.40 10.48 -5.26 3 0 1000.00-999 ?-999 ?-999 ?