HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 31-DEC-06 2OEQ COMPND PROTEIN OF UNKNOWN FUNCTION, DUF964; COMPND 3 CHAIN: A, B, C, D; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: GEOBACILLUS STEAROTHERMOPHILUS; SOURCE 3 ORGANISM_TAXID: 1422; SOURCE 4 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3); SOURCE 5 EXPRESSION_SYSTEM_TAXID: 469008; SOURCE 6 EXPRESSION_SYSTEM_STRAIN: BL21(DE3); SOURCE 7 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 8 EXPRESSION_SYSTEM_PLASMID: PMCSG7 AUTHOR Y.KIM,R.WU,F.COLLART,A.JOACHIMIAK,MIDWEST CENTER FOR AUTHOR 2 STRUCTURAL GENOMICS (MCSG) HET MSE A 41 8 HET MSE A 57 8 HET MSE A 74 8 HET MSE A 87 8 HET MSE A 93 8 HET MSE A 105 8 HET MSE B 41 8 HET MSE B 57 8 HET MSE B 74 8 HET MSE B 87 8 HET MSE B 93 8 HET MSE B 105 8 HET MSE B 116 8 HET MSE C 41 8 HET MSE C 57 8 HET MSE C 74 8 HET MSE C 87 8 HET MSE C 93 8 HET MSE C 105 8 HET MSE C 116 8 HET MSE D 1 8 HET MSE D 41 8 HET MSE D 57 8 HET MSE D 74 8 HET MSE D 87 8 HET MSE D 93 8 HET MSE D 105 8 HET MSE D 116 8 mGLU.A 3 6.14 52.20 22.68 6.00 53.02 22.12 5.81 49.77 22.76 6.54 48.82 22.50 6.35 50.98 23.51 5.63 51.13 24.85 2 0 1000.00-999 ?-999 ?-999 ? mPRO.A 4 4.52 49.80 22.40 4.06 50.65 22.67 4.25 48.65 20.21 4.33 47.56 19.61 3.84 48.73 21.67 2.37 49.11 21.79 3 0 1000.00-999 ?-999 ?-999 ? mLEU~A 5 4.51 49.82 19.65 4.43 50.60 20.27 6.31 49.57 17.95 6.55 48.74 17.07 4.88 49.95 18.26 4.57 51.38 17.82 3 0 1000.00-999 ?-999 ?-999 ? mHIS~A 6 7.26 50.15 18.68 6.91 50.78 19.37 9.02 48.53 17.86 9.64 48.47 16.81 8.68 49.88 18.48 9.45 50.04 19.79 3 0 1000.00-999 ?-999 ?-999 ? mALA~A 7 8.60 47.45 18.51 8.11 47.65 19.36 8.53 45.94 16.52 9.18 45.16 15.82 8.87 46.11 18.00 8.10 45.08 18.82 2 0 1000.00-999 ?-999 ?-999 ? mLEU~A 8 7.52 46.66 16.05 7.08 47.23 16.74 8.06 47.44 13.84 8.30 47.20 12.64 7.08 46.63 14.65 5.73 47.28 14.49 3 0 1000.00-999 ?-999 ?-999 ? mALA~A 9 8.62 48.43 14.50 8.35 48.53 15.46 10.85 48.53 13.58 11.43 48.63 12.49 9.55 49.28 13.84 9.79 50.53 14.68 2 0 1000.00-999 ?-999 ?-999 ? mARG~A 10 11.32 47.78 14.58 10.75 47.78 15.41 12.34 45.98 13.36 13.24 45.69 12.56 12.55 47.03 14.45 12.92 46.44 15.81 2 0 1000.00-999 ?-999 ?-999 ? mGLN~A 11 11.14 45.45 13.29 10.50 45.76 13.99 11.02 45.16 10.89 11.58 44.59 9.97 10.83 44.48 12.26 9.39 44.00 12.41 2 0 1000.00-999 ?-999 ?-999 ? mLEU~A 12 10.54 46.40 10.76 10.11 46.76 11.58 12.09 47.45 9.18 12.48 47.40 8.02 10.65 47.13 9.51 9.85 48.43 9.57 3 0 1000.00-999 ?-999 ?-999 ? mGLU~A 13 12.88 47.78 10.21 12.41 47.79 11.09 15.06 46.90 9.45 15.85 46.99 8.51 14.30 48.11 10.01 14.91 48.53 11.33 2 0 1000.00-999 ?-999 ?-999 ? mGLN~A 14 14.77 45.75 10.05 14.11 45.84 10.79 14.93 44.24 8.22 15.76 44.07 7.32 15.36 44.50 9.66 14.82 43.43 10.61 2 0 1000.00-999 ?-999 ?-999 ? mALA~A 15 13.62 44.23 7.99 13.07 44.40 8.81 13.67 44.88 5.59 14.01 44.43 4.50 13.05 43.99 6.65 11.53 44.21 6.67 2 0 1000.00-999 ?-999 ?-999 ? mILE~A 16 13.80 46.15 5.92 13.48 46.40 6.84 15.77 46.64 4.66 16.05 46.25 3.53 14.36 47.09 5.00 14.38 48.50 5.60 3 0 1000.00-999 ?-999 ?-999 ? mARG~A 17 16.64 46.68 5.66 16.24 47.00 6.53 18.22 44.99 4.75 19.21 44.80 4.07 18.03 46.31 5.52 18.66 46.22 6.91 2 0 1000.00-999 ?-999 ?-999 ? mALA~A 18 17.27 44.09 4.84 16.47 44.35 5.40 16.86 42.78 2.75 17.17 41.86 1.99 17.42 42.83 4.16 16.78 41.71 5.02 2 0 1000.00-999 ?-999 ?-999 ? mSER~A 19 16.03 43.76 2.39 15.90 44.45 3.10 16.39 43.87 -0.06 17.44 44.47 0.09 15.39 43.80 1.07 14.47 45.02 0.97 2 0 1000.00-999 ?-999 ?-999 ? mGLU~A 20 16.03 43.29 -1.20 15.13 42.85 -1.20 17.47 44.71 -2.67 18.67 44.93 -2.86 16.93 43.31 -2.35 16.26 42.73 -3.59 2 0 1000.00-999 ?-999 ?-999 ? mPRO~A 21 16.58 45.70 -2.71 15.63 45.43 -2.52 18.15 47.57 -2.17 19.11 48.15 -2.69 16.98 47.06 -3.01 15.72 47.81 -2.74 3 0 1000.00-999 ?-999 ?-999 ? mPHE~A 22 18.06 47.37 -0.88 17.25 46.87 -0.57 20.40 47.08 -0.21 21.49 47.63 -0.10 19.10 47.85 0.00 18.63 47.71 1.43 3 0 1000.00-999 ?-999 ?-999 ? mGLN~A 23 20.28 45.79 -0.51 19.34 45.46 -0.57 22.16 45.49 -1.96 23.37 45.73 -1.94 21.45 44.95 -0.74 21.02 43.51 -0.96 2 0 1000.00-999 ?-999 ?-999 ? mGLN~A 24 21.37 45.65 -3.02 20.43 45.34 -2.86 22.65 47.44 -3.95 23.79 47.55 -4.43 21.79 46.21 -4.29 20.56 46.68 -5.04 2 0 1000.00-999 ?-999 ?-999 ? mLEU~A 25 22.10 48.35 -3.13 21.18 48.12 -2.84 24.13 49.22 -2.07 25.16 49.74 -2.47 22.80 49.58 -2.71 21.97 50.37 -1.71 3 0 1000.00-999 ?-999 ?-999 ? mLYS~A 26 24.10 48.35 -1.06 23.19 48.04 -0.79 26.27 47.34 -1.55 27.40 47.82 -1.74 25.33 47.89 -0.44 25.02 46.83 0.60 2 0 1000.00-999 ?-999 ?-999 ? mARG~A 27 25.81 46.36 -2.31 24.89 46.02 -2.10 27.31 47.02 -4.13 28.48 46.96 -4.49 26.67 45.87 -3.36 25.91 44.97 -4.32 2 0 1000.00-999 ?-999 ?-999 ? mALA~A 28 26.56 48.09 -4.38 25.63 48.04 -4.01 28.11 50.04 -4.36 29.06 50.55 -4.93 27.09 49.24 -5.14 25.95 50.15 -5.58 2 0 1000.00-999 ?-999 ?-999 ? mTYR~A 29 27.92 50.17 -3.05 27.11 49.73 -2.67 30.19 50.17 -2.46 31.23 50.78 -2.73 28.89 50.92 -2.30 28.56 50.98 -0.81 3 0 1000.00-999 ?-999 ?-999 ? mGLU~A 30 30.13 48.84 -2.29 29.22 48.49 -2.07 31.97 48.16 -3.78 33.14 48.45 -3.85 31.31 47.99 -2.42 30.97 46.52 -2.16 2 0 1000.00-999 ?-999 ?-999 ? mASP~A 31 31.21 47.99 -4.86 30.26 47.74 -4.67 32.70 49.37 -6.22 33.83 49.28 -6.71 31.78 48.17 -6.19 30.68 48.36 -7.22 2 0 1000.00-999 ?-999 ?-999 ? mVAL~A 32 32.22 50.50 -5.70 31.30 50.43 -5.33 34.17 51.62 -4.72 35.30 51.86 -5.10 33.01 51.72 -5.69 32.10 52.96 -5.41 3 0 1000.00-999 ?-999 ?-999 ? mARG~A 33 33.92 51.26 -3.47 32.95 51.08 -3.28 36.15 50.28 -2.99 37.30 50.58 -2.71 34.99 51.15 -2.48 34.44 50.56 -1.18 2 0 1000.00-999 ?-999 ?-999 ? mARG~A 34 35.84 49.23 -3.75 34.86 49.12 -3.92 37.61 48.77 -5.53 38.60 48.15 -5.91 36.87 48.31 -4.27 36.29 46.92 -4.58 2 0 1000.00-999 ?-999 ?-999 ? mASP.A 35 37.14 49.83 -6.19 36.34 50.26 -5.78 38.63 51.52 -7.17 38.10 52.62 -7.11 37.80 50.28 -7.42 36.75 50.51 -8.52 2 0 1000.00-999 ?-999 ?-999 ? mGLU.A 36 39.95 51.35 -7.06 40.27 50.41 -7.17 40.35 53.75 -7.49 40.14 54.78 -6.84 40.84 52.48 -6.80 42.29 52.14 -7.22 2 0 1000.00-999 ?-999 ?-999 ? mTHR~A 37 40.13 53.65 -8.80 40.30 52.74 -9.18 38.43 55.47 -9.05 38.49 56.64 -8.69 39.67 54.78 -9.61 39.35 54.34 -11.04 2 0 1000.00-999 ?-999 ?-999 ? mALA~A 38 37.33 54.73 -8.99 37.46 53.79 -9.31 35.99 55.74 -7.05 35.37 56.76 -6.77 36.04 55.24 -8.50 34.99 54.17 -8.70 2 0 1000.00-999 ?-999 ?-999 ? mTYR~A 39 36.61 55.00 -6.14 37.07 54.19 -6.50 37.40 56.65 -4.54 37.59 57.11 -3.41 36.60 55.38 -4.74 37.17 54.27 -3.86 3 0 1000.00-999 ?-999 ?-999 ? mARG~A 40 37.90 57.21 -5.64 37.71 56.70 -6.48 37.59 59.49 -5.79 37.22 60.20 -4.86 38.67 58.44 -5.59 39.69 58.50 -6.74 2 0 1000.00-999 ?-999 ?-999 ? mMETA 41 37.06 59.56 -7.01 37.45 58.90 -7.65 34.99 60.64 -6.23 34.70 61.75 -5.77 36.01 60.51 -7.37 35.33 60.06 -8.67 2 0 1000.00-999 ?-999 ?-999 ? mPHE~A 42 34.47 59.51 -5.76 34.80 58.69 -6.23 33.99 60.32 -3.50 33.33 61.26 -3.05 33.51 59.49 -4.67 33.27 58.03 -4.23 3 0 1000.00-999 ?-999 ?-999 ? mALA~A 43 35.16 59.99 -2.99 35.63 59.23 -3.43 35.78 62.21 -2.17 35.57 63.03 -1.29 35.67 60.73 -1.85 37.02 60.19 -1.43 2 0 1000.00-999 ?-999 ?-999 ? mASN~A 44 36.10 62.53 -3.42 36.24 61.76 -4.03 34.92 64.66 -3.65 34.84 65.66 -2.94 36.25 63.93 -3.82 36.72 64.03 -5.27 2 0 1000.00-999 ?-999 ?-999 ? mVAL~A 45 33.88 64.14 -4.31 34.11 63.33 -4.86 32.21 64.82 -2.76 31.88 65.89 -2.27 32.55 64.70 -4.22 31.53 63.78 -4.88 3 0 1000.00-999 ?-999 ?-999 ? mARG~A 46 32.28 63.69 -2.06 32.53 62.89 -2.61 32.66 64.75 0.18 32.05 65.36 1.05 32.01 63.63 -0.63 32.50 62.29 -0.06 2 0 1000.00-999 ?-999 ?-999 ? mASP~A 47 33.91 65.02 -0.12 34.31 64.49 -0.86 34.13 67.43 0.29 33.93 68.25 1.19 34.62 66.03 0.63 36.14 65.88 0.40 2 0 1000.00-999 ?-999 ?-999 ? mILE~A 48 33.90 67.72 -0.99 34.05 66.99 -1.66 32.02 69.22 -0.78 31.63 70.32 -0.35 33.44 69.06 -1.33 33.54 69.41 -2.90 3 0 1000.00-999 ?-999 ?-999 ? mGLN~A 49 31.26 68.13 -0.74 31.69 67.30 -1.09 29.84 68.48 1.27 29.07 69.32 1.74 29.89 68.20 -0.22 29.14 66.92 -0.54 2 0 1000.00-999 ?-999 ?-999 ? mLEU~A 50 30.66 67.78 2.02 31.22 67.12 1.53 31.23 69.38 3.73 30.79 70.03 4.66 30.71 67.98 3.46 31.67 66.96 4.05 3 0 1000.00-999 ?-999 ?-999 ? mARG~A 51 32.20 69.82 2.94 32.49 69.18 2.23 31.71 72.22 2.94 31.70 73.22 3.65 32.78 71.15 3.11 33.90 71.38 2.09 2 0 1000.00-999 ?-999 ?-999 ? mLEU~A 52 30.79 72.02 2.01 30.88 71.18 1.48 28.74 72.95 2.96 28.40 73.98 3.55 29.73 73.01 1.81 28.96 72.75 0.52 3 0 1000.00-999 ?-999 ?-999 ? mHIS~A 53 28.28 71.74 3.25 28.66 70.99 2.70 27.75 72.28 5.53 26.97 73.01 6.15 27.31 71.54 4.30 27.13 70.06 4.60 3 0 1000.00-999 ?-999 ?-999 ? mGLU~A 54 29.03 72.12 5.86 29.55 71.54 5.23 29.55 74.25 7.03 29.09 74.86 8.01 29.60 72.75 7.04 31.05 72.31 7.19 2 0 1000.00-999 ?-999 ?-999 ? mLYS~A 55 30.04 74.86 5.95 30.40 74.24 5.25 28.62 76.78 6.05 28.37 77.78 6.71 30.04 76.31 5.82 30.52 76.74 4.44 2 0 1000.00-999 ?-999 ?-999 ? mGLN~A 56 27.68 76.01 5.51 28.02 75.21 5.02 25.78 76.21 7.10 25.01 77.04 7.55 26.29 76.34 5.66 25.45 75.48 4.72 2 0 1000.00-999 ?-999 ?-999 ? mMETA 57 26.22 75.20 7.83 26.86 74.58 7.38 26.21 76.20 10.03 25.61 76.51 11.05 25.74 75.05 9.20 26.19 73.72 9.80 2 0 1000.00-999 ?-999 ?-999 ? mARG~A 58 27.28 76.85 9.62 27.72 76.49 8.79 27.38 79.31 9.63 27.91 80.39 9.93 27.73 78.00 10.37 29.22 77.90 10.73 2 0 1000.00-999 ?-999 ?-999 ? mGLY.A 59 26.48 79.18 8.65 26.17 78.24 8.51 26.99 81.08 7.01 26.68 82.15 6.48 25.99 80.30 7.85-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mALA.A 60 28.18 80.54 6.88 28.29 79.66 7.34 28.81 81.46 4.68 27.94 80.80 4.14 29.23 81.20 6.12 30.51 80.35 6.14 2 0 1000.00-999 ?-999 ?-999 ? mALA.A 61 29.48 82.42 4.08 30.14 82.89 4.66 29.82 81.66 1.78 30.82 81.02 2.11 29.25 82.76 2.69 29.91 84.05 2.40 2 0 1000.00-999 ?-999 ?-999 ? mILE.A 62 29.19 81.46 0.63 28.41 82.06 0.48 29.52 81.06 -1.69 28.47 80.99 -2.29 29.63 80.45 -0.31 28.70 79.23 -0.18 3 0 1000.00-999 ?-999 ?-999 ? mLEU~A 63 30.58 81.69 -2.19 31.40 81.69 -1.62 30.30 81.25 -4.57 30.68 80.11 -4.36 30.47 82.31 -3.51 31.66 83.22 -3.81 3 0 1000.00-999 ?-999 ?-999 ? mPRO~A 64 29.70 81.61 -5.72 29.44 82.57 -5.71 30.58 79.86 -7.32 30.36 78.81 -7.89 29.43 80.73 -6.87 28.98 81.71 -7.94 3 0 1000.00-999 ?-999 ?-999 ? mASP~A 65 31.80 80.34 -7.08 31.79 81.25 -6.66 32.72 78.20 -6.92 32.56 77.28 -7.72 33.03 79.61 -7.38 34.17 80.15 -6.52 2 0 1000.00-999 ?-999 ?-999 ? mGLU~A 66 32.63 78.08 -5.59 32.77 78.95 -5.12 31.25 76.00 -5.45 31.50 74.91 -5.92 32.35 76.85 -4.87 32.01 77.17 -3.41 2 0 1000.00-999 ?-999 ?-999 ? mILE~A 67 30.02 76.48 -5.47 29.86 77.41 -5.15 29.28 75.18 -7.42 28.82 74.13 -7.86 29.04 75.56 -5.96 27.57 76.04 -5.64 3 0 1000.00-999 ?-999 ?-999 ? mGLU~A 68 30.03 75.99 -8.16 30.34 76.82 -7.69 31.24 74.39 -9.55 30.94 73.41 -10.25 30.34 75.65 -9.55 31.06 76.82 -10.25 2 0 1000.00-999 ?-999 ?-999 ? mGLN~A 69 32.32 74.42 -8.76 32.47 75.26 -8.25 32.38 72.06 -8.24 32.44 70.98 -8.83 33.20 73.26 -8.68 34.33 73.45 -7.67 2 0 1000.00-999 ?-999 ?-999 ? mALA~A 70 31.64 72.26 -7.17 31.74 73.17 -6.77 30.02 70.55 -7.76 30.16 69.34 -7.96 30.75 71.25 -6.63 29.74 71.89 -5.73 2 0 1000.00-999 ?-999 ?-999 ? mGLN~A 71 29.23 71.32 -8.50 29.22 72.28 -8.23 29.33 70.18 -10.70 28.91 69.24 -11.39 28.46 70.78 -9.60 27.55 71.87 -10.18 2 0 1000.00-999 ?-999 ?-999 ? mLYS~A 72 30.54 70.71 -10.85 30.75 71.46 -10.23 31.76 68.77 -11.47 31.39 67.82 -12.16 31.46 70.20 -11.86 32.76 71.03 -11.87 2 0 1000.00-999 ?-999 ?-999 ? mALA~A 73 32.41 68.65 -10.32 32.61 69.52 -9.87 31.63 66.36 -9.81 31.84 65.17 -10.03 32.78 67.37 -9.76 33.27 67.57 -8.32 2 0 1000.00-999 ?-999 ?-999 ? mMETA 74 30.41 66.83 -9.62 30.34 67.82 -9.47 28.98 65.34 -10.99 28.59 64.18 -11.08 29.27 65.93 -9.63 28.02 66.63 -9.14 2 0 1000.00-999 ?-999 ?-999 ? mALA~A 75 29.11 66.12 -12.06 29.37 67.07 -11.88 30.03 64.60 -13.70 29.84 63.55 -14.31 28.85 65.54 -13.37 28.68 66.62 -14.42 2 0 1000.00-999 ?-999 ?-999 ? mLEU~A 76 31.25 64.98 -13.30 31.28 65.87 -12.85 32.15 62.82 -12.77 32.62 61.76 -13.17 32.42 64.12 -13.51 33.69 64.72 -12.90 3 0 1000.00-999 ?-999 ?-999 ? mALA~A 77 31.42 62.92 -11.67 31.16 63.86 -11.44 30.11 60.90 -11.70 30.42 59.77 -11.99 31.04 61.77 -10.87 30.34 62.22 -9.62 2 0 1000.00-999 ?-999 ?-999 ? mGLN~A 78 28.96 61.45 -12.07 28.83 62.39 -11.75 28.66 60.26 -14.18 27.99 59.83 -15.12 27.99 60.72 -12.88 26.80 61.64 -13.21 2 0 1000.00-999 ?-999 ?-999 ? mGLN.A 79 30.00 60.34 -14.23 30.39 60.69 -13.38 31.29 58.50 -15.35 31.13 57.74 -16.30 30.80 59.96 -15.41 32.01 60.92 -15.53 2 0 1000.00-999 ?-999 ?-999 ? mASN~A 80 31.87 58.13 -14.21 31.92 58.86 -13.53 31.24 55.82 -13.64 30.50 56.03 -12.69 32.39 56.79 -13.99 33.49 56.90 -12.92 2 0 1000.00-999 ?-999 ?-999 ? mGLU~A 81 31.11 54.76 -14.44 31.82 54.75 -15.16 29.67 53.27 -12.93 28.49 53.25 -12.58 30.08 53.72 -14.33 30.51 52.48 -15.12 2 0 1000.00-999 ?-999 ?-999 ? mLYS~A 82 30.66 52.88 -12.14 31.57 52.95 -12.55 29.94 53.46 -9.84 29.11 53.18 -8.99 30.42 52.39 -10.80 31.69 51.74 -10.22 2 0 1000.00-999 ?-999 ?-999 ? mLEU~A 83 30.49 54.67 -9.94 31.19 54.76 -10.65 28.67 56.19 -9.42 27.93 56.68 -8.60 30.08 55.75 -9.05 31.00 56.95 -9.18 3 0 1000.00-999 ?-999 ?-999 ? mALA~A 84 28.31 56.00 -10.67 29.00 55.57 -11.26 25.87 55.61 -10.51 24.93 56.19 -9.98 27.00 56.41 -11.13 26.93 56.34 -12.65 2 0 1000.00-999 ?-999 ?-999 ? mARG~A 85 25.95 54.28 -10.57 26.76 53.90 -11.00 24.75 53.74 -8.51 23.64 53.73 -7.97 24.87 53.51 -10.01 25.04 52.03 -10.32 2 0 1000.00-999 ?-999 ?-999 ? mLEU~A 86 25.87 53.99 -7.84 26.70 53.99 -8.39 24.97 55.45 -6.17 24.00 55.37 -5.43 25.83 54.23 -6.41 27.23 54.47 -5.84 3 0 1000.00-999 ?-999 ?-999 ? mMETA 87 25.31 56.58 -6.80 26.14 56.50 -7.35 23.10 57.51 -7.09 22.15 57.81 -6.39 24.53 57.81 -6.68 25.09 58.89 -7.58 2 0 1000.00-999 ?-999 ?-999 ? mALA~A 88 22.93 56.87 -8.22 23.76 56.65 -8.74 20.85 55.78 -7.54 19.77 56.17 -7.14 21.58 56.56 -8.62 21.58 55.80 -9.90 2 0 1000.00-999 ?-999 ?-999 ? mLEU~A 89 21.42 54.67 -7.07 22.32 54.45 -7.46 20.60 54.57 -4.73 19.61 54.42 -4.04 20.75 53.87 -6.05 21.45 52.54 -5.84 3 0 1000.00-999 ?-999 ?-999 ? mGLU~A 90 21.59 55.35 -4.36 22.37 55.39 -4.99 20.29 57.06 -3.11 19.58 57.19 -2.11 21.50 56.07 -3.10 22.81 56.81 -2.83 2 0 1000.00-999 ?-999 ?-999 ? mGLN~A 91 20.07 57.78 -4.22 20.71 57.61 -4.97 17.62 57.95 -4.26 16.68 58.33 -3.54 18.95 58.71 -4.29 19.05 59.58 -5.55 2 0 1000.00-999 ?-999 ?-999 ? mGLN~A 92 17.55 56.86 -5.00 18.37 56.63 -5.52 16.07 55.50 -3.61 14.93 55.26 -3.23 16.32 56.10 -5.01 16.39 55.01 -6.08 2 0 1000.00-999 ?-999 ?-999 ? mMETA 93 17.13 55.25 -2.85 18.01 55.48 -3.24 16.51 55.84 -0.66 15.56 55.75 0.10 16.92 54.68 -1.51 18.22 54.04 -0.98 2 0 1000.00-999 ?-999 ?-999 ? mSER~A 94 17.23 56.93 -0.81 17.98 56.85 -1.45 15.48 58.62 -0.32 14.74 58.91 0.65 16.94 58.14 -0.09 17.93 59.21 -0.49 2 0 1000.00-999 ?-999 ?-999 ? mILE~A 95 15.00 58.72 -1.56 15.59 58.49 -2.33 12.62 58.08 -1.25 11.52 58.38 -0.79 13.62 59.18 -1.60 13.16 59.83 -2.96 3 0 1000.00-999 ?-999 ?-999 ? mTHR~A 96 12.97 56.81 -1.45 13.90 56.68 -1.81 11.81 55.59 0.33 10.68 55.39 0.76 12.03 55.74 -1.15 12.49 54.38 -1.72 2 0 1000.00-999 ?-999 ?-999 ? mILE~A 97 12.84 55.69 1.15 13.74 55.88 0.77 11.84 56.76 3.04 11.11 56.71 4.02 12.54 55.52 2.55 13.78 55.15 3.39 3 0 1000.00-999 ?-999 ?-999 ? mALA~A 98 12.02 57.85 2.32 12.63 57.74 1.53 9.89 58.91 2.50 9.08 59.49 3.22 11.37 59.12 2.67 11.83 60.22 1.76 2 0 1000.00-999 ?-999 ?-999 ? mGLU~A 99 9.53 58.09 1.54 10.27 57.69 1.00 7.60 56.85 2.37 6.43 56.92 2.73 8.13 57.82 1.33 7.89 57.25 -0.05 2 0 1000.00-999 ?-999 ?-999 ? mVAL~A 100 8.45 55.94 2.84 9.38 56.01 2.47 7.59 55.74 5.00 6.48 55.57 5.47 8.04 54.95 3.83 9.21 54.01 4.24 3 0 1000.00-999 ?-999 ?-999 ? mGLN~A 101 8.46 56.64 5.44 9.33 56.64 4.93 6.81 58.28 6.42 6.07 58.42 7.40 8.17 57.53 6.57 9.30 58.56 6.75 2 0 1000.00-999 ?-999 ?-999 ? mGLN~A 102 6.50 58.76 5.21 7.18 58.58 4.50 4.09 58.51 5.20 3.12 58.84 5.84 5.25 59.47 4.98 5.22 60.04 3.56 2 0 1000.00-999 ?-999 ?-999 ? mILE~A 103 4.21 57.30 4.68 5.06 57.16 4.17 2.90 55.91 6.30 1.79 55.52 6.64 3.18 56.27 4.84 3.59 54.97 4.14 3 0 1000.00-999 ?-999 ?-999 ? mALA~A 104 3.91 56.02 7.16 4.78 56.35 6.78 2.94 56.72 9.27 2.21 56.43 10.22 3.72 55.66 8.54 5.00 55.47 9.19 2 0 1000.00-999 ?-999 ?-999 ? mMETA 105 3.09 57.96 8.81 3.73 58.05 8.04 0.91 59.06 8.93 0.07 59.73 9.50 2.37 59.08 9.39 3.03 60.40 8.98 2 0 1000.00-999 ?-999 ?-999 ? mLYS~A 106 0.61 58.23 7.93 1.38 57.68 7.59 -1.80 57.93 8.44 -2.66 58.75 8.60 -0.73 58.14 7.40 -0.83 57.06 6.31 2 0 1000.00-999 ?-999 ?-999 ? mPRO~A 107 -1.75 56.83 9.18 -0.99 56.21 8.99 -3.19 57.85 11.03 -4.35 58.07 11.40 -2.79 56.60 10.20 -2.17 55.52 11.08 3 0 1000.00-999 ?-999 ?-999 ? mLEU~A 108 -2.19 58.68 11.31 -1.30 58.44 10.94 -3.12 60.89 11.31 -3.93 61.61 11.83 -2.43 59.83 12.11 -1.12 60.34 12.69 3 0 1000.00-999 ?-999 ?-999 ? mGLU~A 109 -2.80 60.98 10.03 -2.09 60.34 9.73 -4.89 61.47 9.04 -5.81 62.27 9.04 -3.45 61.95 9.17 -2.76 62.01 7.81 2 0 1000.00-999 ?-999 ?-999 ? mGLU~A 110 -5.08 60.16 8.97 -4.25 59.61 8.98 -7.27 60.11 10.06 -8.38 60.60 9.90 -6.44 59.61 8.89 -6.43 58.08 8.93 2 0 1000.00-999 ?-999 ?-999 ? mLEU~A 111 -6.72 59.98 11.25 -5.81 59.57 11.27 -7.82 61.89 12.34 -8.94 62.26 12.64 -7.43 60.42 12.42 -6.60 60.13 13.67 3 0 1000.00-999 ?-999 ?-999 ? mHIS~A 112 -6.89 62.73 11.91 -6.01 62.31 11.67 -8.31 64.40 10.85 -9.25 65.12 11.19 -7.17 64.15 11.80 -5.92 64.89 11.36 3 0 1000.00-999 ?-999 ?-999 ? mARG~A 113 -8.24 63.82 9.66 -7.41 63.27 9.50 -10.61 63.85 9.44 -11.45 64.74 9.41 -9.30 63.99 8.69 -9.24 62.91 7.60 2 0 1000.00-999 ?-999 ?-999 ? mSER~A 114 -10.75 62.74 10.15 -9.96 62.12 10.13 -12.53 63.62 11.66 -13.72 63.61 11.96 -11.96 62.47 10.89 -11.77 61.27 11.78 2 0 1000.00-999 ?-999 ?-999 ? mPHE.A 115 -11.72 64.61 12.01 -10.77 64.51 11.74 -12.00 67.09 12.02 -12.48 67.28 10.86 -12.27 65.75 12.73 -11.73 65.77 14.17 3 0 1000.00-999 ?-999 ?-999 ? mGLU~B 3 1.97 94.87 12.05 1.11 95.37 11.96 4.49 95.05 12.20 4.75 95.78 11.24 3.26 94.13 12.18 3.40 93.12 11.04 2 0 1000.00-999 ?-999 ?-999 ? mPRO~B 4 5.25 95.03 13.31 4.89 94.38 13.98 7.66 95.56 12.62 8.27 96.49 12.07 6.47 95.82 13.55 6.80 95.47 15.00 3 0 1000.00-999 ?-999 ?-999 ? mLEU~B 5 7.99 94.29 12.45 7.43 93.62 12.95 8.71 93.75 10.17 9.57 93.52 9.33 9.10 93.94 11.61 9.73 92.68 12.13 3 0 1000.00-999 ?-999 ?-999 ? mHIS~B 6 7.41 93.84 9.87 6.81 94.03 10.64 7.65 94.68 7.58 8.19 94.33 6.53 6.97 93.67 8.49 5.47 93.81 8.37 3 0 1000.00-999 ?-999 ?-999 ? mALA~B 7 7.61 95.94 7.99 7.12 96.10 8.85 9.66 96.51 6.89 10.06 96.41 5.73 8.24 96.98 7.21 8.26 98.27 8.01 2 0 1000.00-999 ?-999 ?-999 ? mLEU~B 8 10.41 96.20 7.94 9.95 96.31 8.83 11.86 94.62 6.78 12.76 94.62 5.93 11.77 95.73 7.80 12.27 95.22 9.14 3 0 1000.00-999 ?-999 ?-999 ? mALA~B 9 10.93 93.68 6.85 10.26 93.81 7.59 10.89 93.00 4.46 11.78 92.64 3.69 10.90 92.56 5.93 9.70 91.69 6.19 2 0 1000.00-999 ?-999 ?-999 ? mARG~B 10 9.90 93.79 4.08 9.23 94.04 4.78 11.15 94.85 2.29 11.61 94.62 1.19 9.85 94.21 2.71 8.66 95.13 2.47 2 0 1000.00-999 ?-999 ?-999 ? mGLN~B 11 11.78 95.62 3.16 11.34 95.73 4.06 14.06 95.15 2.41 14.77 95.31 1.43 13.05 96.22 2.77 13.62 97.11 3.87 2 0 1000.00-999 ?-999 ?-999 ? mLEU~B 12 14.13 94.07 3.19 13.48 94.05 3.95 14.82 92.41 1.56 15.74 92.17 0.79 15.08 93.00 2.94 14.96 91.93 4.03 3 0 1000.00-999 ?-999 ?-999 ? mGLU~B 13 13.54 92.20 1.24 12.92 92.44 1.98 13.60 92.57 -1.21 14.19 92.11 -2.19 13.10 91.68 -0.06 11.57 91.59 -0.06 2 0 1000.00-999 ?-999 ?-999 ? mGLN~B 14 13.36 93.86 -1.07 12.88 94.12 -0.23 15.26 94.64 -2.30 15.68 94.39 -3.44 13.77 94.81 -2.07 13.44 96.22 -1.60 2 0 1000.00-999 ?-999 ?-999 ? mALA~B 15 16.05 94.73 -1.23 15.55 94.91 -0.38 17.92 93.27 -1.96 18.81 93.21 -2.79 17.52 94.59 -1.31 18.11 94.66 0.09 2 0 1000.00-999 ?-999 ?-999 ? mILE~B 16 17.24 92.22 -1.54 16.53 92.39 -0.87 17.36 90.88 -3.53 18.30 90.58 -4.25 17.55 90.92 -2.05 16.70 89.83 -1.39 3 0 1000.00-999 ?-999 ?-999 ? mARG~B 17 16.17 91.18 -4.03 15.44 91.44 -3.38 16.89 92.15 -6.17 17.36 91.91 -7.26 16.03 91.10 -5.47 14.57 91.21 -5.90 2 0 1000.00-999 ?-999 ?-999 ? mALA~B 18 17.11 93.30 -5.55 16.70 93.37 -4.64 19.39 94.06 -6.25 20.10 94.69 -7.05 17.92 94.34 -6.18 17.76 95.65 -5.45 2 0 1000.00-999 ?-999 ?-999 ? mSER~B 19 19.86 93.16 -5.41 19.15 92.72 -4.86 22.02 92.29 -6.51 21.45 91.57 -7.31 21.29 92.84 -5.30 21.50 91.88 -4.15 2 0 1000.00-999 ?-999 ?-999 ? mGLU~B 20 23.31 92.62 -6.59 23.64 93.21 -5.85 23.98 90.63 -7.94 23.75 90.20 -9.06 24.14 92.13 -7.69 25.61 92.45 -7.45 2 0 1000.00-999 ?-999 ?-999 ? mPRO~B 21 24.07 89.81 -6.89 24.23 90.23 -5.99 22.57 88.01 -7.64 22.46 87.16 -8.53 23.92 88.39 -7.13 24.21 87.80 -5.78 3 0 1000.00-999 ?-999 ?-999 ? mPHE~B 22 21.51 88.60 -7.10 21.70 89.27 -6.37 20.04 88.66 -9.04 19.38 87.99 -9.82 20.18 88.25 -7.58 19.09 88.91 -6.76 3 0 1000.00-999 ?-999 ?-999 ? mGLN~B 23 20.65 89.78 -9.40 21.13 90.25 -8.66 21.35 89.35 -11.75 20.87 89.16 -12.86 20.63 90.27 -10.77 21.25 91.66 -10.83 2 0 1000.00-999 ?-999 ?-999 ? mGLN~B 24 22.49 88.79 -11.37 22.80 89.04 -10.45 22.49 86.56 -12.37 22.58 85.89 -13.38 23.21 87.88 -12.26 24.63 87.66 -11.76 2 0 1000.00-999 ?-999 ?-999 ? mLEU~B 25 21.75 86.18 -11.34 21.76 86.79 -10.54 19.99 85.25 -12.50 19.79 84.44 -13.38 21.00 84.95 -11.41 20.28 84.63 -10.08 3 0 1000.00-999 ?-999 ?-999 ? mLYS~B 26 19.36 86.42 -12.46 19.60 86.99 -11.67 19.08 86.73 -14.88 18.57 86.12 -15.82 18.40 86.80 -13.49 17.86 88.23 -13.26 2 0 1000.00-999 ?-999 ?-999 ? mARG~B 27 20.25 87.36 -15.00 20.54 87.83 -14.16 21.18 85.96 -16.79 20.87 85.67 -17.95 21.02 87.38 -16.24 22.41 87.95 -15.97 2 0 1000.00-999 ?-999 ?-999 ? mALA~B 28 21.69 85.08 -15.93 21.89 85.46 -15.03 20.67 83.01 -16.76 20.70 82.18 -17.66 21.93 83.70 -16.30 22.54 82.93 -15.12 2 0 1000.00-999 ?-999 ?-999 ? mTYR~B 29 19.56 83.36 -16.14 19.63 84.06 -15.43 17.97 83.22 -17.92 17.45 82.45 -18.75 18.33 82.72 -16.54 17.22 82.99 -15.53 3 0 1000.00-999 ?-999 ?-999 ? mGLU~B 30 18.28 84.49 -18.17 18.72 84.97 -17.40 18.80 84.50 -20.59 18.26 84.20 -21.65 18.01 85.13 -19.46 18.29 86.64 -19.40 2 0 1000.00-999 ?-999 ?-999 ? mASP~B 31 20.09 84.27 -20.38 20.45 84.53 -19.48 20.45 82.25 -21.79 20.85 81.76 -22.84 20.86 83.67 -21.43 22.34 83.70 -21.08 2 0 1000.00-999 ?-999 ?-999 ? mVAL~B 32 19.65 81.59 -20.96 19.37 82.09 -20.14 17.90 80.31 -21.99 17.66 79.57 -22.94 19.23 80.22 -21.27 19.11 79.30 -19.98 3 0 1000.00-999 ?-999 ?-999 ? mARG~B 33 17.04 81.21 -21.52 17.39 81.72 -20.74 15.84 81.85 -23.56 14.96 81.61 -24.38 15.72 81.43 -22.11 14.98 82.52 -21.33 2 0 1000.00-999 ?-999 ?-999 ? mARG~B 34 16.95 82.50 -23.88 17.59 82.63 -23.13 18.21 82.16 -26.02 18.68 82.60 -27.06 17.17 82.96 -25.22 17.51 84.45 -25.18 2 0 1000.00-999 ?-999 ?-999 ? mASP~B 35 18.57 80.98 -25.53 18.16 80.74 -24.65 18.82 78.77 -26.48 18.60 78.03 -25.53 19.49 80.12 -26.26 20.78 79.92 -25.50 2 0 1000.00-999 ?-999 ?-999 ? mGLU~B 36 18.52 78.46 -27.74 18.81 79.16 -28.40 18.32 75.95 -27.51 17.52 75.18 -26.97 17.83 77.24 -28.12 17.83 77.09 -29.64 2 0 1000.00-999 ?-999 ?-999 ? mTHR~B 37 19.61 75.70 -27.60 20.15 76.41 -28.07 19.89 74.36 -25.53 19.24 73.41 -25.07 20.18 74.49 -27.05 21.68 74.46 -27.30 2 0 1000.00-999 ?-999 ?-999 ? mALA~B 38 20.36 75.32 -24.76 20.86 76.04 -25.25 18.70 75.35 -22.85 18.34 74.68 -21.89 20.16 75.31 -23.32 20.93 76.45 -22.69 2 0 1000.00-999 ?-999 ?-999 ? mTYR~B 39 17.86 76.15 -23.51 18.25 76.66 -24.27 15.80 74.91 -23.39 14.81 74.58 -22.78 16.48 76.21 -23.08 15.69 77.35 -23.74 3 0 1000.00-999 ?-999 ?-999 ? mARG~B 40 16.33 74.16 -24.35 17.13 74.55 -24.81 16.11 71.93 -23.56 15.26 71.22 -23.03 15.73 72.87 -24.68 16.30 72.31 -25.98 2 0 1000.00-999 ?-999 ?-999 ? mMETB 41 17.39 71.94 -23.22 17.96 72.57 -23.75 17.23 71.49 -20.85 16.71 70.62 -20.14 17.92 71.11 -22.16 19.42 71.29 -22.03 2 0 1000.00-999 ?-999 ?-999 ? mPHE~B 42 17.23 72.79 -20.54 17.69 73.37 -21.21 15.15 72.88 -19.22 14.70 72.45 -18.18 16.60 73.29 -19.33 16.69 74.80 -19.28 3 0 1000.00-999 ?-999 ?-999 ? mALA~B 43 14.39 73.03 -20.28 14.83 73.41 -21.09 12.95 71.16 -19.75 12.26 70.78 -18.79 13.01 72.63 -20.17 12.32 72.83 -21.50 2 0 1000.00-999 ?-999 ?-999 ? mASN~B 44 13.68 70.34 -20.50 14.18 70.79 -21.23 14.10 68.54 -18.84 13.30 67.90 -18.17 13.75 68.91 -20.27 14.74 68.31 -21.24 2 0 1000.00-999 ?-999 ?-999 ? mVAL~B 45 15.27 68.92 -18.34 15.87 69.45 -18.95 14.56 69.11 -15.98 14.21 68.43 -15.01 15.57 68.55 -16.97 16.94 69.01 -16.48 3 0 1000.00-999 ?-999 ?-999 ? mARG~B 46 14.09 70.32 -16.23 14.45 70.76 -17.05 11.85 70.11 -15.22 11.21 70.07 -14.18 13.12 70.94 -15.33 12.74 72.33 -15.80 2 0 1000.00-999 ?-999 ?-999 ? mASP~B 47 11.49 69.44 -16.31 12.08 69.55 -17.10 10.54 67.28 -15.60 9.67 66.77 -14.90 10.29 68.62 -16.27 9.74 68.38 -17.69 2 0 1000.00-999 ?-999 ?-999 ? mILE~B 48 11.71 66.71 -15.82 12.32 67.22 -16.43 11.93 65.63 -13.70 11.28 64.86 -13.01 12.04 65.43 -15.21 13.48 65.02 -15.52 3 0 1000.00-999 ?-999 ?-999 ? mGLN~B 49 12.58 66.70 -13.23 13.05 67.22 -13.93 11.21 67.49 -11.31 10.89 67.38 -10.13 12.59 67.06 -11.82 13.62 68.17 -11.57 2 0 1000.00-999 ?-999 ?-999 ? mLEU~B 50 10.37 67.97 -12.20 10.71 67.99 -13.14 8.23 67.17 -11.54 7.51 67.05 -10.56 9.06 68.41 -11.79 8.49 69.24 -12.92 3 0 1000.00-999 ?-999 ?-999 ? mARG~B 51 8.37 66.22 -12.45 9.02 66.46 -13.17 8.06 64.08 -11.20 7.21 63.62 -10.46 7.65 64.94 -12.42 7.94 64.24 -13.75 2 0 1000.00-999 ?-999 ?-999 ? mLEU~B 52 9.36 63.87 -11.01 9.95 64.27 -11.71 9.20 63.65 -8.61 8.58 62.91 -7.84 9.85 63.10 -9.87 11.37 63.25 -9.73 3 0 1000.00-999 ?-999 ?-999 ? mHIS~B 53 9.34 64.95 -8.40 9.87 65.44 -9.09 7.23 65.35 -7.17 6.67 65.32 -6.10 8.74 65.57 -7.24 9.03 67.06 -7.22 3 0 1000.00-999 ?-999 ?-999 ? mGLU~B 54 6.56 65.21 -8.30 7.10 65.27 -9.14 4.94 63.58 -7.72 4.13 63.37 -6.81 5.14 64.98 -8.25 4.51 65.13 -9.65 2 0 1000.00-999 ?-999 ?-999 ? mLYS~B 55 5.68 62.62 -8.27 6.30 62.94 -8.99 5.87 60.99 -6.37 5.28 60.11 -5.76 5.60 61.22 -7.85 6.58 60.36 -8.63 2 0 1000.00-999 ?-999 ?-999 ? mGLN~B 56 6.77 61.76 -5.78 7.21 62.45 -6.37 6.00 62.11 -3.44 5.81 61.56 -2.36 7.06 61.57 -4.38 8.39 62.19 -4.01 2 0 1000.00-999 ?-999 ?-999 ? mMETB 57 5.35 63.20 -3.83 5.68 63.57 -4.70 3.20 62.75 -3.03 2.68 62.38 -1.99 4.27 63.80 -3.06 3.72 65.01 -3.80 2 0 1000.00-999 ?-999 ?-999 ? mARG~B 58 2.90 62.24 -4.21 3.42 62.62 -4.98 2.37 59.90 -3.78 1.64 58.92 -3.77 1.89 61.22 -4.37 1.57 61.08 -5.84 2 0 1000.00-999 ?-999 ?-999 ? mGLY.B 59 3.60 59.89 -3.30 4.10 60.76 -3.37 4.33 57.51 -3.65 4.59 56.39 -3.22 4.15 58.69 -2.70-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mALA.B 60 4.21 57.78 -4.94 4.00 58.73 -5.15 5.79 56.17 -5.94 6.75 56.82 -5.52 4.38 56.75 -5.95 4.09 57.33 -7.30 2 0 1000.00-999 ?-999 ?-999 ? mALA.B 61 5.92 54.94 -6.41 5.08 54.50 -6.71 8.07 55.03 -7.52 7.55 55.66 -8.44 7.23 54.33 -6.47 7.12 52.89 -6.80 2 0 1000.00-999 ?-999 ?-999 ? mILE.B 62 9.37 54.90 -7.38 9.66 54.35 -6.59 11.45 54.57 -8.53 12.43 54.60 -7.80 10.28 55.51 -8.30 10.77 56.84 -7.70 3 0 1000.00-999 ?-999 ?-999 ? mLEU~B 63 11.37 53.73 -9.56 10.53 53.80 -10.10 13.76 53.52 -10.16 13.76 54.72 -10.44 12.45 52.79 -9.84 12.08 51.88 -11.00 3 0 1000.00-999 ?-999 ?-999 ? mPRO~B 64 14.91 52.81 -10.12 14.79 51.85 -9.87 16.31 53.95 -11.83 17.11 54.84 -12.08 16.21 53.42 -10.42 17.17 52.29 -10.14 3 0 1000.00-999 ?-999 ?-999 ? mASP~B 65 15.52 53.40 -12.75 14.98 52.63 -12.41 15.43 55.42 -14.08 16.40 56.09 -14.43 15.46 53.89 -14.14 14.15 53.48 -14.81 2 0 1000.00-999 ?-999 ?-999 ? mGLU~B 66 14.27 55.94 -13.66 13.57 55.28 -13.42 15.27 57.97 -12.92 15.88 58.85 -13.49 14.07 57.37 -13.55 12.87 57.72 -12.69 2 0 1000.00-999 ?-999 ?-999 ? mILE~B 67 15.64 57.51 -11.74 15.10 56.74 -11.37 18.07 58.13 -11.89 18.82 59.11 -11.85 16.78 58.14 -11.09 17.02 57.59 -9.67 3 0 1000.00-999 ?-999 ?-999 ? mGLU~B 68 18.32 57.05 -12.63 17.64 56.32 -12.54 19.29 57.94 -14.67 20.03 58.92 -14.81 19.50 56.96 -13.50 19.68 55.54 -14.06 2 0 1000.00-999 ?-999 ?-999 ? mGLN~B 69 18.26 57.67 -15.47 17.75 56.85 -15.21 17.89 59.97 -16.23 18.23 60.86 -17.03 17.92 58.49 -16.60 16.56 58.09 -17.14 2 0 1000.00-999 ?-999 ?-999 ? mALA~B 70 17.49 60.25 -15.00 17.26 59.47 -14.42 18.78 62.20 -14.36 19.10 63.26 -14.88 17.41 61.63 -14.59 16.57 61.77 -13.35 2 0 1000.00-999 ?-999 ?-999 ? mGLN~B 71 19.61 61.50 -13.60 19.24 60.64 -13.24 21.80 62.07 -14.60 22.75 62.87 -14.67 20.95 62.00 -13.33 21.62 61.14 -12.27 2 0 1000.00-999 ?-999 ?-999 ? mLYS~B 72 21.46 61.23 -15.59 20.69 60.64 -15.35 22.01 62.63 -17.45 23.00 63.27 -17.83 22.14 61.19 -16.89 21.42 60.19 -17.84 2 0 1000.00-999 ?-999 ?-999 ? mALA~B 73 20.76 63.11 -17.48 20.08 62.46 -17.14 21.03 65.54 -17.13 21.69 66.40 -17.69 20.40 64.44 -17.94 18.93 64.59 -17.91 2 0 1000.00-999 ?-999 ?-999 ? mMETB 74 20.81 65.55 -15.82 20.22 64.82 -15.48 22.90 66.68 -15.32 23.50 67.76 -15.22 21.42 66.59 -14.98 21.28 66.27 -13.49 2 0 1000.00-999 ?-999 ?-999 ? mALA~B 75 23.49 65.55 -15.72 22.89 64.76 -15.74 25.18 66.11 -17.45 26.17 66.81 -17.67 24.91 65.51 -16.07 25.41 64.09 -16.01 2 0 1000.00-999 ?-999 ?-999 ? mLEU~B 76 24.28 65.83 -18.39 23.53 65.24 -18.10 24.31 67.88 -19.59 25.08 68.63 -20.20 24.42 66.36 -19.73 23.29 65.82 -20.60 3 0 1000.00-999 ?-999 ?-999 ? mALA~B 77 23.37 68.33 -18.76 22.84 67.61 -18.32 24.36 70.46 -17.97 24.66 71.58 -18.36 23.15 69.75 -18.53 22.01 69.93 -17.61 2 0 1000.00-999 ?-999 ?-999 ? mGLN~B 78 25.06 69.84 -17.04 24.74 68.92 -16.78 27.26 70.73 -17.58 28.19 71.52 -17.44 26.23 70.50 -16.47 26.81 69.67 -15.34 2 0 1000.00-999 ?-999 ?-999 ? mGLN~B 79 27.06 70.06 -18.70 26.25 69.47 -18.72 27.75 71.46 -20.64 28.62 71.91 -21.37 27.99 70.20 -19.81 27.94 68.96 -20.69 2 0 1000.00-999 ?-999 ?-999 ? mASN~B 80 26.56 72.03 -20.53 25.94 71.56 -19.91 26.53 74.49 -20.41 25.81 74.81 -19.45 26.21 73.25 -21.26 24.72 73.24 -21.61 2 0 1000.00-999 ?-999 ?-999 ? mGLU~B 81 27.60 75.20 -20.78 28.07 74.85 -21.58 26.89 77.30 -19.64 26.82 77.74 -18.50 28.03 76.40 -20.05 29.02 77.21 -20.88 2 0 1000.00-999 ?-999 ?-999 ? mLYS~B 82 26.00 77.60 -20.57 26.15 77.17 -21.46 24.09 77.98 -19.08 23.97 78.68 -18.06 24.89 78.47 -20.28 23.96 78.55 -21.48 2 0 1000.00-999 ?-999 ?-999 ? mLEU~B 83 23.54 76.78 -19.24 23.76 76.36 -20.12 23.44 75.71 -16.99 22.83 75.51 -15.94 22.70 76.13 -18.25 22.05 74.91 -18.88 3 0 1000.00-999 ?-999 ?-999 ? mALA~B 84 24.75 75.59 -17.10 25.10 75.79 -18.01 25.76 76.31 -15.01 25.98 76.11 -13.81 25.61 75.18 -15.99 26.97 74.78 -16.52 2 0 1000.00-999 ?-999 ?-999 ? mARG~B 85 25.66 77.51 -15.55 25.49 77.48 -16.54 24.46 78.95 -14.13 24.39 79.24 -12.93 25.79 78.74 -14.82 26.08 79.87 -15.81 2 0 1000.00-999 ?-999 ?-999 ? mLEU~B 86 23.38 78.78 -14.89 23.57 78.53 -15.84 21.96 78.03 -13.12 21.65 78.47 -12.01 22.04 78.94 -14.33 20.96 78.51 -15.33 3 0 1000.00-999 ?-999 ?-999 ? mMETB 87 22.26 76.76 -13.34 22.51 76.52 -14.28 23.04 76.29 -11.11 22.53 76.56 -10.03 22.20 75.81 -12.26 22.61 74.41 -12.73 2 0 1000.00-999 ?-999 ?-999 ? mALA~B 88 24.33 76.45 -11.30 24.67 76.26 -12.22 24.61 78.15 -9.47 24.66 78.23 -8.25 25.12 76.88 -10.17 26.57 77.03 -10.59 2 0 1000.00-999 ?-999 ?-999 ? mLEU~B 89 24.11 79.14 -10.20 24.06 78.98 -11.19 22.38 80.18 -8.73 22.14 80.79 -7.68 23.69 80.36 -9.51 23.56 81.48 -10.53 3 0 1000.00-999 ?-999 ?-999 ? mGLU~B 90 21.55 79.32 -9.26 21.88 78.88 -10.09 20.52 78.32 -7.34 19.76 78.46 -6.37 20.27 79.03 -8.67 19.49 78.17 -9.66 2 0 1000.00-999 ?-999 ?-999 ? mGLN~B 91 21.60 77.56 -7.28 22.17 77.54 -8.10 22.55 77.78 -5.11 22.19 77.85 -3.95 21.89 76.84 -6.07 22.82 75.67 -6.35 2 0 1000.00-999 ?-999 ?-999 ? mGLN~B 92 23.50 78.54 -5.57 23.72 78.49 -6.55 23.13 80.33 -3.98 23.16 80.54 -2.77 24.15 79.39 -4.62 25.32 80.12 -5.30 2 0 1000.00-999 ?-999 ?-999 ? mMETB 93 22.19 80.85 -4.77 22.26 80.58 -5.73 20.28 81.00 -3.28 19.94 81.50 -2.21 21.17 81.76 -4.26 20.35 82.34 -5.42 2 0 1000.00-999 ?-999 ?-999 ? mSER~B 94 19.90 79.79 -3.65 20.21 79.52 -4.56 19.79 78.78 -1.40 19.22 79.15 -0.37 19.11 78.95 -2.79 18.90 77.61 -3.48 2 0 1000.00-999 ?-999 ?-999 ? mILE~B 95 21.01 78.24 -1.36 21.37 77.94 -2.25 21.75 79.44 0.65 21.32 79.56 1.78 21.71 78.10 -0.10 23.22 77.64 -0.29 3 0 1000.00-999 ?-999 ?-999 ? mTHR~B 96 22.30 80.45 0.02 22.62 80.24 -0.90 21.13 82.34 1.26 21.18 83.02 2.28 22.41 81.75 0.65 22.99 82.73 -0.38 2 0 1000.00-999 ?-999 ?-999 ? mILE~B 97 19.98 82.09 0.65 20.05 81.53 -0.17 18.43 81.94 2.45 18.02 82.55 3.43 18.74 82.64 1.17 17.58 82.44 0.19 3 0 1000.00-999 ?-999 ?-999 ? mALA~B 98 18.64 80.63 2.43 18.97 80.29 1.55 19.31 80.26 4.71 18.93 80.23 5.86 18.42 79.79 3.59 18.73 78.37 3.25 2 0 1000.00-999 ?-999 ?-999 ? mGLU~B 99 20.51 80.71 4.39 20.75 80.66 3.42 20.82 82.49 5.97 21.03 82.81 7.13 21.39 81.21 5.41 22.76 81.50 4.86 2 0 1000.00-999 ?-999 ?-999 ? mVAL~B 100 20.12 83.25 5.13 20.00 82.87 4.21 18.45 84.24 6.51 18.32 84.86 7.55 19.58 84.53 5.57 19.10 85.38 4.37 3 0 1000.00-999 ?-999 ?-999 ? mGLN~B 101 17.66 83.25 6.15 17.87 82.81 5.28 17.08 82.49 8.40 16.64 83.06 9.38 16.58 82.87 7.02 15.80 81.73 6.43 2 0 1000.00-999 ?-999 ?-999 ? mGLN~B 102 18.05 81.57 8.47 18.37 81.23 7.59 19.19 82.19 10.59 19.09 82.18 11.81 18.56 81.12 9.76 19.55 79.97 9.58 2 0 1000.00-999 ?-999 ?-999 ? mILE~B 103 19.86 83.14 9.97 19.90 83.07 8.97 19.37 84.99 11.40 19.58 85.65 12.40 20.47 84.17 10.76 21.35 85.05 9.90 3 0 1000.00-999 ?-999 ?-999 ? mALA~B 104 18.18 84.92 10.83 18.12 84.32 10.03 16.51 85.09 12.68 16.10 85.82 13.57 17.07 85.68 11.37 15.99 85.81 10.32 2 0 1000.00-999 ?-999 ?-999 ? mMETB 105 16.49 83.77 12.80 16.83 83.28 12.00 17.08 83.29 15.12 16.80 83.29 16.32 16.02 83.12 14.01 15.76 81.64 13.72 2 0 1000.00-999 ?-999 ?-999 ? mLYS~B 106 18.32 83.48 14.69 18.41 83.50 13.70 19.17 84.39 16.89 19.57 83.94 17.93 19.44 83.64 15.60 20.61 84.29 14.84 2 0 1000.00-999 ?-999 ?-999 ? mPRO~B 107 18.52 85.57 16.85 18.23 85.88 15.95 17.27 85.64 19.05 17.42 85.68 20.27 18.29 86.28 18.12 17.85 87.67 17.66 3 0 1000.00-999 ?-999 ?-999 ? mLEU~B 108 16.22 85.08 18.49 16.18 85.12 17.49 15.80 83.19 19.91 15.81 83.06 21.11 15.22 84.47 19.31 13.96 84.18 18.49 3 0 1000.00-999 ?-999 ?-999 ? mGLU~B 109 16.29 82.27 19.08 16.22 82.52 18.11 17.96 81.28 20.60 18.07 80.55 21.59 16.87 81.01 19.56 17.46 80.20 18.40 2 0 1000.00-999 ?-999 ?-999 ? mGLU~B 110 18.75 82.31 20.39 18.56 82.80 19.53 19.24 83.05 22.68 19.76 82.63 23.71 19.82 82.70 21.31 20.56 83.92 20.74 2 0 1000.00-999 ?-999 ?-999 ? mLEU~B 111 18.16 83.82 22.70 17.83 84.08 21.79 16.92 83.06 24.67 17.10 82.87 25.87 17.54 84.25 23.94 16.46 85.30 23.66 3 0 1000.00-999 ?-999 ?-999 ? mHIS~B 112 16.18 82.24 23.91 16.15 82.52 22.95 16.47 80.06 25.03 16.10 79.26 25.87 15.50 81.07 24.44 14.67 80.42 23.35 3 0 1000.00-999 ?-999 ?-999 ? mARG~B 113 17.72 80.11 24.60 17.90 80.82 23.91 19.50 79.87 26.23 19.29 79.62 27.41 18.71 79.20 25.11 19.68 78.77 24.00 2 0 1000.00-999 ?-999 ?-999 ? mSER~B 114 20.39 80.76 25.83 20.39 80.92 24.84 20.72 82.37 27.84 21.44 82.69 28.79 21.27 81.42 26.75 22.36 82.14 25.93 2 0 1000.00-999 ?-999 ?-999 ? mPHE~B 115 19.47 82.81 27.78 18.88 82.44 27.06 19.04 83.37 30.27 19.41 84.16 31.14 19.08 83.78 28.80 17.77 84.46 28.43 3 0 1000.00-999 ?-999 ?-999 ? mMETB 116 18.62 82.14 30.58 18.36 81.58 29.79 19.82 80.96 32.50 20.71 81.63 33.07 18.55 81.72 31.98 17.29 80.86 32.17 2 0 1000.00-999 ?-999 ?-999 ? mSER.C 2 5.15 45.56 -7.60 5.10 45.03 -8.45 6.65 46.41 -5.66 7.33 45.38 -5.45 5.22 46.35 -6.32 4.18 45.79 -5.32 2 0 1000.00-999 ?-999 ?-999 ? mGLU~C 3 7.11 47.62 -5.38 6.49 48.37 -5.62 8.35 47.26 -3.37 7.57 47.69 -2.54 8.42 47.83 -4.78 8.72 49.34 -4.78 2 0 1000.00-999 ?-999 ?-999 ? mPRO~C 4 9.19 46.26 -3.08 9.80 45.98 -3.82 9.01 46.62 -0.57 8.18 46.39 0.32 9.17 45.66 -1.74 10.48 44.88 -1.68 3 0 1000.00-999 ?-999 ?-999 ? mLEU~C 5 9.77 47.71 -0.57 10.38 47.81 -1.36 8.33 49.28 0.67 7.78 49.33 1.76 9.69 48.65 0.53 10.77 49.70 0.41 3 0 1000.00-999 ?-999 ?-999 ? mHIS~C 6 7.76 49.74 -0.44 8.33 49.65 -1.27 5.46 49.40 0.27 4.71 49.81 1.17 6.43 50.32 -0.43 5.95 50.56 -1.85 3 0 1000.00-999 ?-999 ?-999 ? mALA~C 7 5.46 48.13 -0.15 6.11 47.93 -0.89 4.84 47.00 1.93 3.90 46.98 2.73 4.58 47.15 0.44 4.75 45.81 -0.24 2 0 1000.00-999 ?-999 ?-999 ? mLEU~C 8 6.11 46.91 2.31 6.80 46.95 1.59 5.81 47.88 4.51 5.29 47.67 5.62 6.40 46.75 3.72 7.90 46.68 3.97 3 0 1000.00-999 ?-999 ?-999 ? mALA~C 9 5.88 49.08 3.93 6.33 49.07 3.03 3.83 50.29 4.64 3.27 50.71 5.65 5.36 50.28 4.55 5.85 51.47 3.79 2 0 1000.00-999 ?-999 ?-999 ? mARG~C 10 3.14 49.81 3.61 3.68 49.50 2.83 1.37 48.81 4.81 0.41 48.99 5.54 1.68 49.78 3.70 1.05 49.30 2.39 2 0 1000.00-999 ?-999 ?-999 ? mGLN~C 11 2.19 47.77 4.92 2.92 47.75 4.23 2.16 47.49 7.27 1.30 47.38 8.13 2.04 46.75 5.95 3.16 45.71 5.83 2 0 1000.00-999 ?-999 ?-999 ? mLEU~C 12 3.23 48.27 7.42 3.85 48.29 6.64 2.21 49.85 9.00 1.78 49.90 10.15 3.44 49.01 8.65 4.66 49.93 8.54 3 0 1000.00-999 ?-999 ?-999 ? mGLU~C 13 1.65 50.52 8.00 2.10 50.40 7.11 -0.63 50.55 8.87 -1.07 50.87 9.96 0.49 51.34 8.21 -0.02 51.92 6.89 2 0 1000.00-999 ?-999 ?-999 ? mGLN~C 14 -1.08 49.51 8.20 -0.62 49.34 7.33 -1.91 48.14 10.14 -2.85 48.00 10.92 -2.15 48.68 8.73 -2.41 47.53 7.78 2 0 1000.00-999 ?-999 ?-999 ? mALA~C 15 -0.67 47.83 10.46 0.02 47.99 9.75 -0.61 48.42 12.78 -1.22 48.19 13.82 -0.37 47.32 11.78 1.06 46.85 11.84 2 0 1000.00-999 ?-999 ?-999 ? mILE~C 16 -0.14 49.63 12.47 0.35 49.69 11.60 -1.86 50.95 13.57 -2.33 51.09 14.70 -0.36 50.74 13.37 0.20 52.04 12.84 3 0 1000.00-999 ?-999 ?-999 ? mARG~C 17 -2.62 50.96 12.48 -2.13 50.84 11.62 -4.69 50.11 13.54 -5.44 50.44 14.45 -4.06 51.14 12.60 -4.73 51.04 11.23 2 0 1000.00-999 ?-999 ?-999 ? mALA~C 18 -4.38 48.85 13.32 -3.75 48.69 12.57 -4.34 47.79 15.56 -4.91 47.19 16.45 -4.94 47.82 14.15 -4.77 46.49 13.46 2 0 1000.00-999 ?-999 ?-999 ? mSER~C 19 -3.21 48.45 15.77 -2.85 48.94 14.98 -3.54 48.90 18.21 -4.59 49.47 17.94 -2.60 48.42 17.10 -1.37 49.31 17.13 2 0 1000.00-999 ?-999 ?-999 ? mGLU~C 20 -3.15 48.71 19.47 -2.26 48.27 19.59 -4.02 50.63 20.81 -5.07 51.22 20.99 -4.01 49.13 20.58 -3.64 48.44 21.89 2 0 1000.00-999 ?-999 ?-999 ? mPRO~C 21 -2.84 51.27 20.82 -2.04 50.68 20.67 -3.46 53.55 20.00 -3.89 54.67 20.29 -2.74 52.72 21.03 -1.25 52.98 21.05 3 0 1000.00-999 ?-999 ?-999 ? mPHE~C 22 -3.60 53.03 18.79 -3.20 52.13 18.66 -5.75 53.76 18.20 -6.39 54.80 18.33 -4.31 53.79 17.78 -4.17 53.16 16.40 3 0 1000.00-999 ?-999 ?-999 ? mGLN~C 23 -6.27 52.56 18.43 -5.64 51.80 18.27 -7.88 53.19 20.15 -8.94 53.72 20.33 -7.64 52.40 18.88 -7.90 50.94 19.12 2 0 1000.00-999 ?-999 ?-999 ? mGLN~C 24 -6.91 53.26 21.06 -6.08 52.75 20.86 -7.45 55.47 21.71 -8.48 56.08 22.05 -7.13 54.07 22.26 -5.88 54.12 23.12 2 0 1000.00-999 ?-999 ?-999 ? mLEU~C 25 -6.56 55.97 20.85 -5.79 55.37 20.66 -8.01 57.41 19.51 -8.76 58.32 19.76 -6.72 57.29 20.24 -5.59 57.59 19.27 3 0 1000.00-999 ?-999 ?-999 ? mLYS~C 26 -8.29 56.50 18.59 -7.59 55.80 18.45 -10.70 56.69 18.86 -11.56 57.55 18.70 -9.55 56.57 17.87 -9.75 55.35 16.98 2 0 1000.00-999 ?-999 ?-999 ? mARG~C 27 -10.74 55.87 19.90 -10.00 55.20 19.94 -11.76 57.28 21.65 -12.79 57.83 22.03 -11.82 55.98 20.87 -11.82 54.79 21.83 2 0 1000.00-999 ?-999 ?-999 ? mALA~C 28 -10.56 57.80 21.90 -9.78 57.27 21.55 -11.18 60.14 21.84 -11.96 60.89 22.41 -10.45 59.06 22.63 -9.01 59.45 22.82 2 0 1000.00-999 ?-999 ?-999 ? mTYR~C 29 -10.93 60.19 20.52 -10.24 59.53 20.21 -13.12 60.94 19.75 -13.87 61.88 20.00 -11.60 61.14 19.63 -11.19 60.92 18.17 3 0 1000.00-999 ?-999 ?-999 ? mGLU~C 30 -13.56 59.69 19.59 -12.83 59.03 19.39 -15.63 60.00 20.90 -16.76 60.48 20.82 -14.97 59.32 19.69 -15.10 57.79 19.81 2 0 1000.00-999 ?-999 ?-999 ? mASP~C 31 -14.91 60.03 22.03 -14.02 59.59 21.95 -15.68 62.12 23.06 -16.81 62.56 22.95 -15.41 60.64 23.25 -14.39 60.49 24.37 2 0 1000.00-999 ?-999 ?-999 ? mVAL~C 32 -14.60 62.88 23.05 -13.74 62.38 23.16 -15.55 64.69 21.71 -15.93 65.84 21.56 -14.67 64.31 22.90 -13.27 64.86 22.72 3 0 1000.00-999 ?-999 ?-999 ? mARG~C 33 -15.90 63.73 20.88 -15.55 62.82 21.09 -18.22 63.89 20.03 -19.06 64.52 19.40 -16.75 64.04 19.73 -16.40 63.15 18.55 2 0 1000.00-999 ?-999 ?-999 ? mARG~C 34 -18.52 63.06 21.01 -17.74 62.64 21.47 -20.29 63.52 22.66 -21.43 63.40 23.09 -19.89 62.80 21.39 -20.08 61.30 21.52 2 0 1000.00-999 ?-999 ?-999 ? mASP~C 35 -19.37 64.24 23.28 -18.47 64.23 22.85 -19.91 66.41 24.03 -18.95 67.12 23.74 -19.67 64.99 24.50 -18.49 64.97 25.49 2 0 1000.00-999 ?-999 ?-999 ? mGLU~C 36 -21.16 66.85 23.95 -21.86 66.20 24.24 -20.52 69.25 24.12 -20.15 70.22 23.46 -21.41 68.19 23.47 -22.89 68.56 23.66 2 0 1000.00-999 ?-999 ?-999 ? mTHR~C 37 -20.16 69.06 25.38 -20.51 68.22 25.79 -17.87 70.06 25.57 -17.39 71.09 25.11 -19.31 70.02 26.09 -19.27 69.70 27.59 2 0 1000.00-999 ?-999 ?-999 ? mALA~C 38 -17.19 68.92 25.66 -17.70 68.16 26.06 -15.70 69.02 23.69 -14.64 69.41 23.20 -15.81 68.82 25.20 -15.21 67.47 25.60 2 0 1000.00-999 ?-999 ?-999 ? mTYR~C 39 -16.77 68.77 22.95 -17.59 68.47 23.45 -16.66 70.38 21.10 -15.97 70.74 20.15 -16.69 68.93 21.52 -17.85 68.27 20.79 3 0 1000.00-999 ?-999 ?-999 ? mARG~C 40 -17.43 71.21 21.79 -17.95 70.81 22.54 -16.09 73.22 21.64 -15.57 73.92 20.76 -17.46 72.61 21.43 -18.51 73.36 22.24 2 0 1000.00-999 ?-999 ?-999 ? mMETC 41 -15.48 72.94 22.79 -16.00 72.34 23.40 -13.14 73.00 22.13 -12.26 73.74 21.69 -14.18 73.49 23.10 -13.76 73.10 24.50 2 0 1000.00-999 ?-999 ?-999 ? mPHE~C 42 -13.26 71.71 21.82 -14.02 71.25 22.28 -12.42 71.89 19.67 -11.45 72.54 19.29 -12.36 71.05 20.91 -12.87 69.64 20.65 3 0 1000.00-999 ?-999 ?-999 ? mALA~C 43 -13.61 71.91 19.08 -14.29 71.37 19.57 -13.42 74.10 17.90 -12.69 74.54 17.01 -13.90 72.65 17.85 -15.39 72.61 17.58 2 0 1000.00-999 ?-999 ?-999 ? mASN~C 44 -13.83 74.81 18.94 -14.43 74.30 19.56 -11.93 76.32 19.00 -11.43 77.17 18.27 -13.45 76.19 19.16 -13.89 76.58 20.56 2 0 1000.00-999 ?-999 ?-999 ? mVAL~C 45 -11.19 75.44 19.67 -11.73 74.79 20.22 -9.23 75.08 18.19 -8.20 75.56 17.77 -9.74 75.43 19.60 -9.18 74.44 20.67 3 0 1000.00-999 ?-999 ?-999 ? mARG~C 46 -9.97 74.26 17.47 -10.81 73.92 17.90 -9.57 75.13 15.23 -8.60 75.49 14.59 -9.53 73.92 16.13 -10.39 72.83 15.51 2 0 1000.00-999 ?-999 ?-999 ? mASP~C 47 -10.72 75.78 15.18 -11.45 75.42 15.76 -9.91 78.07 14.63 -9.26 78.57 13.73 -10.86 76.92 14.31 -12.31 77.36 14.30 2 0 1000.00-999 ?-999 ?-999 ? mILE~C 48 -9.81 78.47 15.89 -10.37 77.96 16.54 -7.50 79.28 15.76 -6.80 80.14 15.22 -8.91 79.57 16.25 -8.94 79.86 17.80 3 0 1000.00-999 ?-999 ?-999 ? mGLN~C 49 -7.10 78.03 15.93 -7.79 77.46 16.37 -5.75 77.34 14.02 -4.72 77.44 13.39 -5.79 77.54 15.54 -5.54 76.21 16.24 2 0 1000.00-999 ?-999 ?-999 ? mLEU~C 50 -6.91 77.04 13.44 -7.67 76.99 14.09 -7.03 78.14 11.24 -6.62 78.20 10.09 -7.04 76.82 12.00 -8.35 76.10 11.70 3 0 1000.00-999 ?-999 ?-999 ? mARG~C 51 -7.51 79.20 11.88 -7.84 79.03 12.81 -6.14 81.13 11.34 -5.63 81.65 10.35 -7.52 80.51 11.24 -8.57 81.44 11.88 2 0 1000.00-999 ?-999 ?-999 ? mLEU~C 52 -5.53 81.08 12.52 -6.05 80.64 13.26 -3.24 81.04 11.68 -2.37 81.74 11.14 -4.20 81.64 12.69 -3.68 81.38 14.10 3 0 1000.00-999 ?-999 ?-999 ? mHIS~C 53 -3.41 79.76 11.38 -4.16 79.31 11.86 -2.54 79.79 9.07 -1.50 80.28 8.61 -2.54 79.10 10.42 -2.96 77.64 10.23 3 0 1000.00-999 ?-999 ?-999 ? mGLU~C 54 -3.72 79.84 8.45 -4.47 79.42 8.97 -3.58 81.96 7.14 -3.33 82.54 6.09 -3.89 80.46 7.14 -5.32 80.21 6.63 2 0 1000.00-999 ?-999 ?-999 ? mLYS~C 55 -3.59 82.58 8.31 -3.82 82.01 9.10 -1.77 84.14 8.32 -1.24 85.18 7.93 -3.28 84.00 8.40 -3.80 84.58 9.72 2 0 1000.00-999 ?-999 ?-999 ? mGLN~C 56 -1.08 83.07 8.71 -1.63 82.29 9.01 0.81 82.73 7.26 1.84 83.23 6.79 0.37 83.07 8.67 0.95 82.05 9.66 2 0 1000.00-999 ?-999 ?-999 ? mMETC 57 0.04 81.90 6.58 -0.76 81.57 7.08 0.28 82.74 4.29 1.25 83.05 3.59 0.36 81.51 5.21 -0.57 80.39 4.73 2 0 1000.00-999 ?-999 ?-999 ? mARG~C 58 -0.85 83.44 4.29 -1.58 83.10 4.88 -0.23 85.74 4.22 -0.40 86.92 3.96 -0.94 84.63 3.45 -2.40 85.00 3.16 2 0 1000.00-999 ?-999 ?-999 ? mGLY.C 59 0.58 85.31 5.19 0.62 84.32 5.30 0.67 87.52 6.42 0.67 88.49 5.67 1.35 86.22 6.03-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mALA.C 60 0.08 87.55 7.61 0.13 86.69 8.13 -0.25 88.97 9.55 -0.24 88.03 10.34 -0.57 88.76 8.09 -2.08 88.67 7.91 2 0 1000.00-999 ?-999 ?-999 ? mALA.C 61 0.04 90.21 9.91 0.02 90.89 9.18 -0.68 89.81 12.19 -1.85 89.68 11.82 0.35 90.51 11.29 0.31 92.03 11.51 2 0 1000.00-999 ?-999 ?-999 ? mILE.C 62 -0.22 89.34 13.35 0.75 89.50 13.50 -0.81 89.27 15.70 0.16 88.90 16.37 -1.08 88.66 14.32 -0.76 87.16 14.38 3 0 1000.00-999 ?-999 ?-999 ? mLEU~C 63 -1.65 90.21 16.12 -2.40 90.40 15.49 -1.31 89.92 18.61 -1.36 88.70 18.45 -1.47 90.88 17.41 -2.62 91.88 17.65 3 0 1000.00-999 ?-999 ?-999 ? mPRO~C 64 -1.10 90.47 19.82 -1.06 91.47 19.84 -2.21 88.87 21.32 -2.23 87.64 21.32 -0.95 89.63 21.01 -0.62 90.63 22.12 3 0 1000.00-999 ?-999 ?-999 ? mASP~C 65 -3.27 89.62 21.57 -3.09 90.60 21.52 -4.88 87.79 21.12 -5.31 86.80 21.70 -4.58 89.07 21.89 -5.65 90.12 21.60 2 0 1000.00-999 ?-999 ?-999 ? mGLU~C 66 -4.66 87.82 19.81 -4.31 88.69 19.46 -4.26 85.41 19.54 -4.81 84.31 19.47 -4.92 86.65 18.97 -4.40 86.88 17.55 2 0 1000.00-999 ?-999 ?-999 ? mILE~C 67 -3.08 85.60 20.10 -2.76 86.55 20.10 -2.70 84.20 22.10 -2.66 83.04 22.51 -2.33 84.51 20.66 -0.83 84.80 20.54 3 0 1000.00-999 ?-999 ?-999 ? mGLU~C 68 -3.08 85.22 22.86 -3.06 86.11 22.39 -4.86 84.37 24.23 -5.16 83.49 25.02 -3.49 85.05 24.26 -3.57 86.42 24.97 2 0 1000.00-999 ?-999 ?-999 ? mGLN~C 69 -5.68 84.80 23.28 -5.31 85.54 22.71 -6.79 82.75 22.87 -7.38 81.91 23.53 -7.00 84.23 23.10 -7.68 84.87 21.89 2 0 1000.00-999 ?-999 ?-999 ? mALA~C 70 -5.91 82.45 21.92 -5.50 83.25 21.48 -4.93 80.33 22.72 -5.30 79.22 23.08 -5.60 81.07 21.55 -4.70 81.07 20.31 2 0 1000.00-999 ?-999 ?-999 ? mGLN~C 71 -3.93 80.99 23.30 -3.74 81.88 22.89 -4.20 80.07 25.52 -4.09 79.00 26.14 -3.20 80.44 24.41 -2.20 81.48 24.92 2 0 1000.00-999 ?-999 ?-999 ? mLYS~C 72 -5.18 80.96 25.75 -5.15 81.75 25.14 -7.23 79.74 26.39 -7.57 78.84 27.17 -6.20 80.79 26.79 -6.89 82.13 27.06 2 0 1000.00-999 ?-999 ?-999 ? mALA~C 73 -7.73 79.87 25.18 -7.38 80.64 24.64 -8.10 77.54 24.80 -8.80 76.57 25.06 -8.70 78.93 24.70 -9.10 79.25 23.25 2 0 1000.00-999 ?-999 ?-999 ? mMETC 74 -6.78 77.44 24.62 -6.31 78.29 24.42 -6.16 75.63 26.16 -6.51 74.47 26.40 -6.13 76.14 24.73 -4.68 76.22 24.25 2 0 1000.00-999 ?-999 ?-999 ? mALA~C 75 -5.80 76.50 27.11 -5.56 77.40 26.74 -7.07 75.64 29.07 -7.09 74.67 29.82 -5.76 76.19 28.54 -5.38 77.43 29.32 2 0 1000.00-999 ?-999 ?-999 ? mLEU~C 76 -8.17 76.26 28.69 -8.03 77.06 28.09 -9.76 74.42 28.56 -10.48 73.64 29.16 -9.47 75.79 29.12 -10.57 76.76 28.70 3 0 1000.00-999 ?-999 ?-999 ? mALA~C 77 -9.21 74.11 27.39 -8.65 74.84 26.99 -8.65 71.79 27.61 -9.08 70.65 27.77 -9.43 72.81 26.79 -8.95 72.81 25.35 2 0 1000.00-999 ?-999 ?-999 ? mGLN~C 78 -7.50 72.20 28.12 -7.26 73.15 27.91 -7.39 71.05 30.25 -7.22 69.99 30.84 -6.69 71.31 28.92 -5.31 71.92 29.18 2 0 1000.00-999 ?-999 ?-999 ? mGLN~C 79 -8.17 72.03 30.69 -8.21 72.83 30.09 -10.03 70.92 31.80 -10.60 70.46 32.78 -8.91 71.96 31.95 -9.50 73.34 32.31 2 0 1000.00-999 ?-999 ?-999 ? mASN~C 80 -10.33 70.54 30.56 -9.80 70.99 29.84 -10.79 68.15 30.44 -9.60 67.96 30.27 -11.37 69.56 30.31 -11.98 69.76 28.93 2 0 1000.00-999 ?-999 ?-999 ? mGLU~C 81 -11.62 67.17 30.76 -12.58 67.42 30.88 -11.05 65.08 29.60 -9.97 64.67 29.19 -11.12 65.82 30.92 -11.97 65.04 31.92 2 0 1000.00-999 ?-999 ?-999 ? mLYS~C 82 -12.19 64.91 28.94 -13.00 65.29 29.40 -11.12 64.75 26.75 -10.28 63.99 26.25 -12.23 64.21 27.66 -13.57 64.45 26.98 2 0 1000.00-999 ?-999 ?-999 ? mLEU~C 83 -11.14 66.06 26.53 -11.88 66.55 27.00 -8.73 66.46 26.05 -7.89 66.31 25.16 -10.17 66.73 25.69 -10.40 68.22 25.72 3 0 1000.00-999 ?-999 ?-999 ? mALA~C 84 -8.42 66.40 27.34 -9.20 66.56 27.96 -6.65 64.74 27.34 -5.68 64.57 26.62 -7.06 66.13 27.78 -6.97 66.24 29.27 2 0 1000.00-999 ?-999 ?-999 ? mARG~C 85 -7.40 63.74 27.78 -8.16 63.99 28.37 -6.70 62.44 25.90 -5.59 62.05 25.49 -7.08 62.38 27.39 -8.30 61.49 27.61 2 0 1000.00-999 ?-999 ?-999 ? mLEU~C 86 -7.61 62.95 25.09 -8.46 63.25 25.54 -6.07 63.78 23.39 -5.13 63.21 22.82 -7.37 63.04 23.68 -8.53 63.75 23.02 3 0 1000.00-999 ?-999 ?-999 ? mMETC 87 -6.02 65.04 23.77 -6.86 65.36 24.22 -3.54 65.18 23.89 -2.49 65.50 23.34 -4.85 65.89 23.56 -4.97 67.16 24.40 2 0 1000.00-999 ?-999 ?-999 ? mALA~C 88 -3.58 64.22 24.80 -4.49 64.03 25.19 -2.18 62.35 24.21 -1.27 62.39 23.38 -2.37 63.52 25.16 -2.46 63.05 26.55 2 0 1000.00-999 ?-999 ?-999 ? mLEU~C 89 -3.02 61.31 24.32 -3.70 61.38 25.04 -2.44 60.72 22.04 -1.49 60.24 21.43 -2.88 60.18 23.41 -4.21 59.46 23.24 3 0 1000.00-999 ?-999 ?-999 ? mGLU~C 90 -3.14 61.75 21.59 -3.88 62.04 22.21 -1.41 62.78 20.15 -0.81 62.53 19.10 -2.88 62.40 20.32 -3.76 63.63 20.20 2 0 1000.00-999 ?-999 ?-999 ? mGLN~C 91 -0.82 63.37 21.18 -1.40 63.49 21.99 1.56 62.65 21.23 2.59 62.63 20.57 0.57 63.79 21.09 0.88 64.84 22.15 2 0 1000.00-999 ?-999 ?-999 ? mGLN~C 92 1.26 61.71 22.10 0.41 61.82 22.61 2.22 59.80 20.96 3.29 59.47 20.47 2.17 60.60 22.26 1.73 59.73 23.43 2 0 1000.00-999 ?-999 ?-999 ? mMETC 93 1.05 59.52 20.38 0.26 59.88 20.88 1.91 59.34 18.13 2.65 58.62 17.47 0.96 58.76 19.14 -0.46 58.81 18.55 2 0 1000.00-999 ?-999 ?-999 ? mSER~C 94 1.88 60.67 18.03 1.25 61.11 18.67 4.20 61.36 17.33 4.98 61.52 16.38 2.70 61.41 17.08 2.26 62.87 17.05 2 0 1000.00-999 ?-999 ?-999 ? mILE~C 95 4.61 61.16 18.58 3.91 61.09 19.28 6.42 59.61 18.64 7.53 59.29 18.22 6.04 61.07 18.82 6.47 61.53 20.23 3 0 1000.00-999 ?-999 ?-999 ? mTHR~C 96 5.51 58.71 18.95 4.65 59.05 19.33 6.11 57.18 17.23 7.15 56.70 16.81 5.82 57.31 18.72 4.64 56.44 19.07 2 0 1000.00-999 ?-999 ?-999 ? mILE~C 97 5.16 57.60 16.41 4.34 57.96 16.86 6.63 58.16 14.53 7.42 57.54 13.83 5.34 57.52 14.99 4.19 58.18 14.30 3 0 1000.00-999 ?-999 ?-999 ? mALA~C 98 6.86 59.41 14.92 6.15 59.83 15.48 9.25 59.14 14.77 10.14 59.03 13.95 8.10 60.08 14.52 8.30 61.33 15.31 2 0 1000.00-999 ?-999 ?-999 ? mGLU~C 99 9.22 58.47 15.91 8.42 58.67 16.48 10.34 56.31 15.36 11.42 55.78 15.11 10.24 57.52 16.29 9.99 57.02 17.69 2 0 1000.00-999 ?-999 ?-999 ? mVAL~C 100 9.19 55.85 14.87 8.38 56.35 15.17 9.82 55.09 12.68 10.67 54.36 12.17 9.15 54.71 13.97 7.72 54.32 13.65 3 0 1000.00-999 ?-999 ?-999 ? mGLN~C 101 9.43 56.24 12.13 8.74 56.76 12.63 11.52 56.86 11.01 12.26 56.67 10.04 10.02 56.64 10.87 9.27 57.85 10.26 2 0 1000.00-999 ?-999 ?-999 ? mGLN~C 102 11.98 57.20 12.21 11.26 57.30 12.90 14.12 56.04 12.33 15.23 55.95 11.81 13.40 57.40 12.46 13.61 57.99 13.86 2 0 1000.00-999 ?-999 ?-999 ? mILE~C 103 13.48 54.98 12.80 12.58 55.15 13.20 14.15 53.29 11.27 15.12 52.70 10.82 14.09 53.69 12.72 13.32 52.68 13.59 3 0 1000.00-999 ?-999 ?-999 ? mALA~C 104 13.12 53.64 10.52 12.39 54.13 10.99 14.32 53.93 8.44 14.78 53.46 7.40 13.13 53.30 9.11 11.87 53.78 8.45 2 0 1000.00-999 ?-999 ?-999 ? mMETC 105 14.83 55.01 9.01 14.38 55.30 9.85 17.35 55.13 8.80 18.35 55.54 8.21 15.97 55.68 8.41 15.95 57.17 8.76 2 0 1000.00-999 ?-999 ?-999 ? mLYS~C 106 17.42 54.21 9.76 16.54 53.92 10.14 19.54 52.97 9.10 20.68 53.31 8.83 18.72 53.70 10.18 18.56 52.80 11.41 2 0 1000.00-999 ?-999 ?-999 ? mPRO~C 107 18.96 51.95 8.48 18.02 51.73 8.74 20.51 52.24 6.57 21.70 52.04 6.32 19.77 51.28 7.47 18.75 50.42 6.74 3 0 1000.00-999 ?-999 ?-999 ? mLEU~C 108 19.81 53.28 6.09 18.86 53.31 6.40 21.29 55.24 5.97 22.26 55.74 5.44 20.42 54.26 5.20 19.36 55.02 4.42 3 0 1000.00-999 ?-999 ?-999 ? mGLU~C 109 20.92 55.51 7.21 20.08 55.03 7.48 23.00 55.72 8.39 24.07 56.34 8.40 21.67 56.40 8.09 20.90 56.58 9.40 2 0 1000.00-999 ?-999 ?-999 ? mGLU~C 110 22.93 54.41 8.63 22.00 54.04 8.57 25.05 53.55 7.78 26.26 53.68 7.96 24.10 53.60 8.96 23.67 52.19 9.35 2 0 1000.00-999 ?-999 ?-999 ? mLEU~C 111 24.50 53.35 6.59 23.51 53.25 6.59 25.92 54.68 5.10 27.08 54.79 4.71 25.33 53.30 5.39 24.51 52.86 4.18 3 0 1000.00-999 ?-999 ?-999 ? mHIS~C 112 25.14 55.73 5.28 24.21 55.52 5.59 26.85 57.28 5.82 27.79 57.92 5.34 25.62 57.06 5.03 24.59 58.10 5.43 3 0 1000.00-999 ?-999 ?-999 ? mARG~C 113 26.84 56.78 7.06 25.99 56.31 7.31 29.26 56.29 7.34 30.33 56.89 7.34 28.00 56.92 7.95 27.70 56.28 9.31 2 0 1000.00-999 ?-999 ?-999 ? mSER~C 114 29.10 55.09 6.80 28.17 54.72 6.85 30.77 55.17 5.01 31.95 55.05 4.70 30.20 54.39 6.19 29.75 53.00 5.77 2 0 1000.00-999 ?-999 ?-999 ? mPHE~C 115 29.96 55.96 4.35 29.01 55.97 4.66 31.60 57.66 3.77 32.40 58.17 2.99 30.48 56.76 3.24 29.37 57.60 2.62 3 0 1000.00-999 ?-999 ?-999 ? mMETC 116 31.66 57.86 5.09 30.94 57.40 5.61 34.01 57.90 5.88 34.98 58.43 6.43 32.71 58.69 5.69 32.28 59.26 7.05 2 0 1000.00-999 ?-999 ?-999 ? mGLU~C 117 34.01 56.64 5.44 33.15 56.35 5.03 36.42 56.31 4.86 37.38 56.71 5.53 35.18 55.76 5.56 34.85 54.37 4.99 2 0 1000.00-999 ?-999 ?-999 ? mGLY~C 118 36.41 56.33 3.53 35.58 55.96 3.12 38.88 56.75 3.48 39.20 57.67 4.27 37.54 56.84 2.78-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mMETD 1 33.64 87.11 2.93 33.66 86.25 2.43 32.88 89.54 2.96 32.34 90.45 3.59 33.61 88.40 3.68 35.04 88.86 4.01 2 0 1000.00-999 ?-999 ?-999 ? mSER~D 2 32.84 89.49 1.64 33.30 88.70 1.22 30.71 90.29 0.48 29.97 91.26 0.32 32.16 90.54 0.90 32.99 90.94 -0.32 2 0 1000.00-999 ?-999 ?-999 ? mGLU~D 3 30.29 89.04 0.29 30.99 88.34 0.44 28.00 89.79 0.54 28.11 90.04 1.74 28.91 88.75 -0.11 28.48 87.35 0.33 2 0 1000.00-999 ?-999 ?-999 ? mPRO~D 4 27.11 90.41 -0.25 27.15 90.10 -1.20 25.00 90.90 1.02 24.58 91.51 2.00 26.17 91.44 0.20 25.67 92.07 -1.11 3 0 1000.00-999 ?-999 ?-999 ? mLEU~D 5 24.49 89.75 0.59 24.94 89.36 -0.21 23.76 88.79 2.65 22.98 88.92 3.58 23.36 89.14 1.26 22.89 87.90 0.50 3 0 1000.00-999 ?-999 ?-999 ? mHIS~D 6 25.01 88.37 2.79 25.54 88.32 1.94 25.43 89.22 4.99 24.76 89.17 6.03 25.53 88.02 4.09 26.98 87.60 3.98 3 0 1000.00-999 ?-999 ?-999 ? mALA~D 7 26.09 90.30 4.59 26.59 90.16 3.73 24.68 92.01 5.59 24.35 92.47 6.69 26.10 91.56 5.32 26.82 92.62 4.54 2 0 1000.00-999 ?-999 ?-999 ? mLEU~D 8 23.84 91.88 4.58 24.22 91.51 3.73 21.85 91.51 5.86 21.11 92.08 6.67 22.48 92.28 4.74 21.71 92.05 3.46 3 0 1000.00-999 ?-999 ?-999 ? mALA~D 9 22.14 90.21 5.92 22.74 89.89 5.19 22.09 89.86 8.36 21.27 90.04 9.27 21.62 89.36 6.98 22.05 87.93 6.75 2 0 1000.00-999 ?-999 ?-999 ? mARG~D 10 23.39 90.10 8.51 23.96 89.90 7.71 23.07 91.82 10.18 22.67 91.94 11.33 23.91 90.60 9.78 25.37 91.01 9.67 2 0 1000.00-999 ?-999 ?-999 ? mGLN~D 11 22.81 92.72 9.22 23.18 92.50 8.32 20.67 93.53 10.10 20.24 94.05 11.11 22.03 93.92 9.52 21.82 94.76 8.25 2 0 1000.00-999 ?-999 ?-999 ? mLEU~D 12 20.01 92.58 9.45 20.49 92.20 8.66 18.76 91.65 11.30 17.95 92.04 12.14 18.70 92.16 9.89 18.15 91.08 8.95 3 0 1000.00-999 ?-999 ?-999 ? mGLU~D 13 19.72 90.78 11.57 20.30 90.53 10.80 19.81 91.38 13.94 18.99 91.37 14.85 19.88 90.24 12.92 21.21 89.49 13.04 2 0 1000.00-999 ?-999 ?-999 ? mGLN~D 14 20.64 92.39 13.74 21.25 92.31 12.95 19.35 94.29 14.64 18.97 94.86 15.66 20.65 93.52 14.64 21.78 94.46 14.30 2 0 1000.00-999 ?-999 ?-999 ? mALA~D 15 18.66 94.34 13.50 19.05 93.83 12.73 16.37 94.43 14.33 15.75 95.10 15.17 17.42 95.09 13.44 16.93 95.18 12.02 2 0 1000.00-999 ?-999 ?-999 ? mILE~D 16 16.17 93.12 14.14 16.73 92.72 13.42 15.65 92.52 16.39 14.85 92.87 17.25 15.22 92.37 14.95 15.27 90.91 14.64 3 0 1000.00-999 ?-999 ?-999 ? mARG~D 17 16.92 92.27 16.63 17.47 92.00 15.84 17.09 93.75 18.61 16.67 93.80 19.75 17.43 92.40 17.97 18.94 92.15 17.98 2 0 1000.00-999 ?-999 ?-999 ? mALA~D 18 17.21 94.86 17.89 17.52 94.75 16.94 15.46 96.59 18.38 15.07 97.60 18.99 16.89 96.11 18.53 17.82 97.18 18.09 2 0 1000.00-999 ?-999 ?-999 ? mSER~D 19 14.66 95.88 17.59 15.09 95.09 17.16 12.45 96.35 18.70 12.77 95.68 19.68 13.26 96.26 17.41 12.58 95.27 16.52 2 0 1000.00-999 ?-999 ?-999 ? mGLU~D 20 11.39 97.14 18.69 11.24 97.59 17.81 9.90 96.04 20.33 9.85 95.79 21.52 10.51 97.32 19.83 9.38 98.29 19.49 2 0 1000.00-999 ?-999 ?-999 ? mPRO~D 21 9.39 95.20 19.43 9.45 95.47 18.47 9.79 92.96 20.55 9.39 92.10 21.34 8.80 93.97 19.94 8.08 93.41 18.72 3 0 1000.00-999 ?-999 ?-999 ? mPHE~D 22 11.07 93.05 20.18 11.29 93.78 19.54 12.35 92.49 22.13 12.47 91.66 23.00 12.04 92.10 20.72 13.33 92.09 19.90 3 0 1000.00-999 ?-999 ?-999 ? mGLN~D 23 12.49 93.79 22.34 12.38 94.38 21.54 11.61 93.93 24.59 11.80 93.73 25.78 12.77 94.28 23.66 12.99 95.78 23.59 2 0 1000.00-999 ?-999 ?-999 ? mGLN~D 24 10.39 93.86 24.07 10.31 94.04 23.09 9.49 92.07 25.38 9.35 91.78 26.56 9.30 93.51 24.95 7.95 93.63 24.24 2 0 1000.00-999 ?-999 ?-999 ? mLEU~D 25 9.82 91.18 24.43 9.92 91.57 23.52 11.04 89.64 25.83 10.77 89.13 26.89 10.01 89.76 24.75 10.49 88.97 23.55 3 0 1000.00-999 ?-999 ?-999 ? mLYS~D 26 12.23 90.10 25.53 12.31 90.47 24.60 12.86 90.62 27.82 13.26 90.08 28.85 13.31 90.09 26.46 14.47 90.92 25.91 2 0 1000.00-999 ?-999 ?-999 ? mARG~D 27 12.03 91.64 27.86 11.74 92.02 26.99 10.70 91.10 29.80 10.76 90.90 31.01 11.61 92.13 29.16 10.95 93.52 29.06 2 0 1000.00-999 ?-999 ?-999 ? mALA~D 28 9.90 90.40 29.02 9.93 90.62 28.05 9.97 88.30 30.21 9.69 87.74 31.28 9.06 89.37 29.63 8.15 88.77 28.62 2 0 1000.00-999 ?-999 ?-999 ? mTYR~D 29 11.06 88.01 29.50 11.13 88.54 28.65 12.61 87.46 31.26 12.64 86.68 32.21 12.05 87.04 29.92 13.18 86.92 28.90 3 0 1000.00-999 ?-999 ?-999 ? mGLU~D 30 13.05 88.71 31.33 12.96 89.23 30.48 12.65 89.15 33.76 13.09 88.86 34.88 13.61 89.26 32.56 14.00 90.72 32.32 2 0 1000.00-999 ?-999 ?-999 ? mASP~D 31 11.36 89.36 33.52 11.14 89.60 32.58 10.54 87.89 35.25 10.93 87.78 36.40 10.38 89.25 34.59 8.97 89.39 34.03 2 0 1000.00-999 ?-999 ?-999 ? mVAL~D 32 10.23 86.85 34.48 9.91 87.10 33.57 11.72 85.19 35.53 11.83 84.83 36.68 10.34 85.49 34.93 10.07 84.55 33.74 3 0 1000.00-999 ?-999 ?-999 ? mARG~D 33 12.78 85.36 34.76 12.57 85.69 33.84 14.38 85.68 36.63 15.07 85.08 37.44 14.13 85.09 35.25 15.18 85.64 34.26 2 0 1000.00-999 ?-999 ?-999 ? mARG~D 34 13.81 86.84 36.92 13.25 87.25 36.20 13.12 86.90 39.29 13.46 86.88 40.46 14.06 87.43 38.23 13.93 88.96 38.20 2 0 1000.00-999 ?-999 ?-999 ? mASP~D 35 11.94 86.46 38.90 11.76 86.51 37.92 11.11 84.43 40.07 10.67 83.66 39.22 11.00 85.95 39.88 9.59 86.36 39.48 2 0 1000.00-999 ?-999 ?-999 ? mGLU~D 36 11.67 84.04 41.22 11.93 84.82 41.80 10.92 81.61 41.15 11.30 80.68 40.44 11.91 82.64 41.62 11.99 82.53 43.14 2 0 1000.00-999 ?-999 ?-999 ? mTHR~D 37 9.66 81.74 41.55 9.51 82.54 42.13 8.43 80.53 39.65 8.51 79.38 39.18 8.62 80.78 41.17 7.25 81.19 41.79 2 0 1000.00-999 ?-999 ?-999 ? mALA~D 38 8.18 81.59 38.90 8.13 82.46 39.40 9.22 80.80 36.95 9.14 79.82 36.22 7.98 81.46 37.47 7.80 82.82 36.83 2 0 1000.00-999 ?-999 ?-999 ? mTYR~D 39 10.36 81.34 37.34 10.28 82.13 37.95 11.65 79.32 37.14 12.08 78.54 36.28 11.62 80.80 36.89 12.80 81.44 37.61 3 0 1000.00-999 ?-999 ?-999 ? mARG~D 40 11.18 78.92 38.32 10.85 79.64 38.92 10.44 76.78 37.57 11.06 76.08 36.77 11.18 77.52 38.66 10.55 77.30 40.04 2 0 1000.00-999 ?-999 ?-999 ? mMETD 41 9.12 76.96 37.49 8.75 77.59 38.17 8.93 76.31 35.09 8.95 75.30 34.36 8.31 76.27 36.47 6.95 76.90 36.37 2 0 1000.00-999 ?-999 ?-999 ? mPHE~D 42 9.42 77.48 34.71 9.34 78.22 35.38 11.04 76.53 33.22 11.01 75.82 32.22 10.03 77.63 33.42 10.74 78.98 33.30 3 0 1000.00-999 ?-999 ?-999 ? mALA~D 43 11.95 76.39 34.17 11.85 77.03 34.93 12.49 73.94 34.13 13.08 73.05 33.53 13.00 75.38 34.07 14.03 75.61 35.15 2 0 1000.00-999 ?-999 ?-999 ? mASN~D 44 11.40 73.71 34.86 11.00 74.51 35.33 10.47 71.99 33.51 11.10 71.13 32.89 10.85 72.37 34.93 9.64 72.32 35.85 2 0 1000.00-999 ?-999 ?-999 ? mVAL~D 45 9.45 72.66 32.98 9.03 73.33 33.60 10.18 72.28 30.63 10.14 71.47 29.70 9.01 72.42 31.62 8.08 73.53 31.16 3 0 1000.00-999 ?-999 ?-999 ? mARG~D 46 11.23 73.07 30.82 11.14 73.71 31.59 12.98 71.59 30.16 13.05 70.79 29.22 12.40 72.98 29.95 13.45 74.05 30.31 2 0 1000.00-999 ?-999 ?-999 ? mASP~D 47 13.38 71.32 31.40 13.22 72.06 32.05 13.09 68.91 31.28 13.57 67.96 30.66 13.97 70.04 31.77 14.13 69.93 33.29 2 0 1000.00-999 ?-999 ?-999 ? mILE~D 48 11.78 69.04 31.56 11.54 69.86 32.07 10.98 67.83 29.62 11.48 66.80 29.16 10.83 68.03 31.13 9.37 68.45 31.40 3 0 1000.00-999 ?-999 ?-999 ? mGLN~D 49 10.59 68.86 28.86 10.23 69.64 29.36 12.08 68.38 26.96 12.21 67.57 26.04 10.69 68.80 27.42 10.24 70.13 26.80 2 0 1000.00-999 ?-999 ?-999 ? mLEU~D 50 13.12 68.89 27.61 12.88 69.54 28.34 14.68 67.00 27.41 15.32 66.36 26.57 14.49 68.51 27.26 15.52 69.21 28.15 3 0 1000.00-999 ?-999 ?-999 ? mARG~D 51 14.14 66.44 28.50 13.68 67.07 29.12 13.58 64.28 27.59 14.19 63.44 26.93 14.26 65.00 28.73 13.61 64.60 30.07 2 0 1000.00-999 ?-999 ?-999 ? mLEU~D 52 12.32 64.61 27.35 11.93 65.31 27.95 12.40 64.03 24.98 12.65 63.00 24.34 11.59 63.98 26.26 10.23 64.65 26.05 3 0 1000.00-999 ?-999 ?-999 ? mHIS~D 53 12.84 65.23 24.59 12.59 66.00 25.18 14.75 64.33 23.43 14.91 63.52 22.52 13.62 65.34 23.37 14.20 66.75 23.20 3 0 1000.00-999 ?-999 ?-999 ? mGLU~D 54 15.51 64.37 24.52 15.25 65.08 25.18 16.18 62.04 24.38 16.78 61.36 23.54 16.63 63.46 24.70 17.13 63.52 26.15 2 0 1000.00-999 ?-999 ?-999 ? mLYS~D 55 15.10 61.60 25.02 14.70 62.28 25.64 14.18 59.93 23.38 14.71 58.99 22.79 14.56 60.26 24.82 13.35 60.03 25.74 2 0 1000.00-999 ?-999 ?-999 ? mGLN~D 56 13.26 60.70 22.82 12.89 61.42 23.41 14.02 60.48 20.50 14.14 59.61 19.63 12.82 60.48 21.45 11.84 61.57 21.04 2 0 1000.00-999 ?-999 ?-999 ? mMETD 57 14.92 61.44 20.67 14.73 62.08 21.41 16.98 60.31 19.98 17.69 59.92 19.08 16.10 61.54 19.81 16.89 62.82 20.11 2 0 1000.00-999 ?-999 ?-999 ? mARG~D 58 16.91 59.68 21.15 16.29 60.11 21.82 16.89 57.27 20.94 17.41 56.15 20.85 17.69 58.48 21.41 18.02 58.37 22.90 2 0 1000.00-999 ?-999 ?-999 ? mGLY~D 59 15.62 57.51 20.63 15.34 58.46 20.75 14.06 55.59 21.22 13.56 54.51 20.90 14.73 56.46 20.16-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mALA~D 60 14.03 56.06 22.47 14.43 56.97 22.57 11.94 55.46 23.77 11.32 56.40 23.28 13.44 55.31 23.58 14.14 55.69 24.88 2 0 1000.00-999 ?-999 ?-999 ? mALA~D 61 11.35 54.51 24.49 11.97 53.82 24.85 9.46 55.72 25.56 10.14 56.17 26.49 9.92 54.53 24.74 9.50 53.23 25.42 2 0 1000.00-999 ?-999 ?-999 ? mILE~D 62 8.28 56.22 25.24 7.81 55.76 24.48 6.25 57.18 26.30 5.35 57.75 25.67 7.73 57.37 25.94 7.94 58.64 25.09 3 0 1000.00-999 ?-999 ?-999 ? mLEU~D 63 6.01 56.36 27.32 6.84 55.96 27.72 4.05 57.40 28.28 4.77 58.31 28.68 4.66 56.09 27.80 4.71 55.08 28.95 3 0 1000.00-999 ?-999 ?-999 ? mPRO~D 64 2.71 57.51 28.25 2.23 56.70 27.91 2.37 59.13 30.13 2.03 60.23 30.55 2.03 58.73 28.69 0.56 58.40 28.51 3 0 1000.00-999 ?-999 ?-999 ? mASP~D 65 3.03 58.25 30.88 3.23 57.38 30.43 4.40 59.75 32.20 4.83 60.26 33.24 3.41 58.58 32.25 4.08 57.38 32.93 2 0 1000.00-999 ?-999 ?-999 ? mGLU~D 66 4.74 60.16 30.99 4.31 59.64 30.25 5.00 62.37 29.95 4.93 63.52 30.40 5.67 61.26 30.75 6.90 60.76 30.00 2 0 1000.00-999 ?-999 ?-999 ? mILE~D 67 4.52 62.04 28.76 4.65 61.09 28.50 2.59 63.49 28.66 1.93 64.46 28.27 3.85 63.04 27.93 3.55 62.48 26.48 3 0 1000.00-999 ?-999 ?-999 ? mGLU~D 68 2.27 62.80 29.74 2.87 62.03 29.97 1.44 64.38 31.36 0.97 65.49 31.11 1.10 63.18 30.52 0.64 62.05 31.43 2 0 1000.00-999 ?-999 ?-999 ? mGLN~D 69 2.29 64.15 32.35 2.61 63.21 32.43 3.24 66.39 32.42 2.80 67.52 32.60 2.69 65.22 33.23 3.74 64.74 34.19 2 0 1000.00-999 ?-999 ?-999 ? mALA~D 70 4.21 66.14 31.55 4.53 65.19 31.52 3.58 68.11 30.26 3.72 69.34 30.23 4.75 67.21 30.73 5.49 66.63 29.53 2 0 1000.00-999 ?-999 ?-999 ? mGLN~D 71 2.45 67.50 29.91 2.47 66.50 29.99 0.57 68.99 30.58 -0.26 69.88 30.36 1.28 68.25 29.44 0.30 67.34 28.69 2 0 1000.00-999 ?-999 ?-999 ? mLYS~D 72 0.93 68.60 31.81 1.58 67.84 31.81 1.42 70.34 33.28 1.07 71.51 33.40 0.41 69.22 33.03 0.48 68.26 34.22 2 0 1000.00-999 ?-999 ?-999 ? mALA~D 73 2.68 69.95 33.37 2.81 68.96 33.25 3.52 72.18 32.91 3.63 73.25 33.50 3.78 70.87 33.61 5.09 70.28 33.09 2 0 1000.00-999 ?-999 ?-999 ? mMETD 74 3.16 72.06 31.64 3.13 71.12 31.32 1.61 73.88 31.33 1.44 75.09 31.21 2.86 73.20 30.81 2.63 72.71 29.38 2 0 1000.00-999 ?-999 ?-999 ? mALA~D 75 0.74 73.09 31.92 1.01 72.13 31.97 -0.36 74.69 33.51 -0.63 75.87 33.26 -0.51 73.61 32.43 -1.36 72.46 32.95 2 0 1000.00-999 ?-999 ?-999 ? mLEU~D 76 0.05 74.31 34.71 0.26 73.34 34.82 1.36 76.24 35.51 1.93 76.82 36.43 0.17 75.31 35.75 0.20 74.65 37.13 3 0 1000.00-999 ?-999 ?-999 ? mALA~D 77 1.69 76.36 34.24 1.14 75.79 33.63 2.02 78.22 32.85 2.25 79.43 32.86 2.75 77.25 33.76 3.75 76.47 32.97 2 0 1000.00-999 ?-999 ?-999 ? mGLN~D 78 1.12 77.66 32.05 1.07 76.67 32.13 -0.49 79.35 32.06 -1.07 80.35 31.62 0.29 78.43 31.14 -0.68 77.49 30.43 2 0 1000.00-999 ?-999 ?-999 ? mGLN~D 79 -0.51 79.00 33.34 0.01 78.18 33.57 -0.50 81.00 34.88 -1.02 82.12 34.83 -1.24 79.79 34.32 -1.72 78.89 35.46 2 0 1000.00-999 ?-999 ?-999 ? mASN~D 80 0.69 80.76 35.43 0.97 79.80 35.41 1.53 83.01 35.05 2.09 82.93 33.96 1.50 81.82 36.01 2.92 81.31 36.24 2 0 1000.00-999 ?-999 ?-999 ? mGLU~D 81 0.92 84.12 35.47 0.52 84.07 36.38 2.17 85.64 33.94 2.23 85.79 32.72 0.85 85.30 34.62 0.35 86.51 35.42 2 0 1000.00-999 ?-999 ?-999 ? mLYS~D 82 3.21 85.78 34.74 3.02 85.63 35.71 4.98 85.11 33.14 5.35 85.48 32.02 4.53 86.11 34.22 5.52 86.12 35.38 2 0 1000.00-999 ?-999 ?-999 ? mLEU~D 83 4.95 83.83 33.47 4.64 83.62 34.40 4.40 82.80 31.31 4.82 82.52 30.17 5.36 82.85 32.52 5.46 81.50 33.20 3 0 1000.00-999 ?-999 ?-999 ? mALA~D 84 3.12 83.09 31.51 2.87 83.33 32.45 2.60 84.07 29.34 2.81 83.74 28.18 2.19 83.04 30.38 0.73 83.28 30.84 2 0 1000.00-999 ?-999 ?-999 ? mARG~D 85 2.73 85.31 29.79 2.55 85.41 30.77 4.34 86.11 28.09 4.37 86.37 26.89 3.10 86.43 28.93 3.37 87.68 29.77 2 0 1000.00-999 ?-999 ?-999 ? mLEU~D 86 5.38 85.57 28.73 5.24 85.45 29.72 6.15 84.24 26.93 6.32 84.51 25.76 6.59 85.19 28.04 7.57 84.47 28.99 3 0 1000.00-999 ?-999 ?-999 ? mMETD 87 5.56 83.11 27.30 5.46 82.98 28.29 4.34 82.84 25.18 4.57 82.58 24.00 5.12 82.17 26.29 4.32 81.03 26.95 2 0 1000.00-999 ?-999 ?-999 ? mALA~D 88 3.43 83.72 25.55 3.33 83.84 26.54 3.62 85.22 23.65 3.81 84.87 22.50 2.65 84.45 24.56 1.69 85.41 25.25 2 0 1000.00-999 ?-999 ?-999 ? mLEU~D 89 4.24 86.28 24.17 3.99 86.48 25.12 6.22 86.25 22.62 6.63 86.62 21.52 5.20 87.06 23.41 5.95 87.97 24.35 3 0 1000.00-999 ?-999 ?-999 ? mGLU~D 90 6.67 85.14 23.20 6.29 84.97 24.11 7.13 83.76 21.22 7.84 83.78 20.23 7.64 84.25 22.57 7.89 83.05 23.46 2 0 1000.00-999 ?-999 ?-999 ? mGLN~D 91 5.89 83.29 21.22 5.43 83.33 22.10 5.01 83.89 19.01 5.20 83.72 17.80 5.29 82.77 20.01 4.01 82.01 20.35 2 0 1000.00-999 ?-999 ?-999 ? mGLN~D 92 4.57 85.04 19.50 4.44 85.07 20.49 5.60 86.31 17.82 5.57 86.33 16.60 4.31 86.16 18.62 4.03 87.41 19.44 2 0 1000.00-999 ?-999 ?-999 ? mMETD 93 6.74 86.33 18.50 6.65 86.25 19.49 8.38 85.33 16.91 8.87 85.55 15.81 8.02 86.47 17.81 9.16 86.67 18.78 2 0 1000.00-999 ?-999 ?-999 ? mSER~D 94 8.16 84.11 17.38 7.78 84.05 18.30 7.84 83.16 15.20 8.50 83.12 14.16 8.49 82.96 16.56 7.97 81.68 17.19 2 0 1000.00-999 ?-999 ?-999 ? mILE~D 95 6.53 83.40 15.25 6.19 83.42 16.19 6.04 84.86 13.28 6.09 84.82 12.06 5.67 83.61 14.09 4.16 83.70 14.54 3 0 1000.00-999 ?-999 ?-999 ? mTHR~D 96 6.29 85.97 13.95 6.21 85.90 14.95 7.87 86.91 12.37 7.84 87.15 11.17 6.64 87.17 13.24 6.98 88.33 14.19 2 0 1000.00-999 ?-999 ?-999 ? mILE~D 97 8.95 86.41 12.98 8.85 86.21 13.95 9.93 85.11 11.16 10.47 85.17 10.07 10.16 86.19 12.21 11.44 85.86 13.11 3 0 1000.00-999 ?-999 ?-999 ? mALA~D 98 9.09 84.14 11.47 8.67 84.21 12.38 8.29 83.68 9.21 8.60 83.19 8.13 8.83 83.09 10.50 7.86 82.08 11.07 2 0 1000.00-999 ?-999 ?-999 ? mGLU~D 99 7.47 84.73 9.35 7.32 84.99 10.31 7.95 86.21 7.53 7.97 86.29 6.31 6.86 85.44 8.23 5.79 86.39 8.74 2 0 1000.00-999 ?-999 ?-999 ? mVAL~D 100 8.88 86.77 8.29 8.74 86.63 9.27 10.83 86.61 6.86 11.32 87.02 5.83 9.99 87.52 7.72 10.92 88.05 8.78 3 0 1000.00-999 ?-999 ?-999 ? mGLN~D 101 11.01 85.38 7.31 10.56 85.18 8.18 11.15 84.16 5.24 11.82 83.90 4.23 11.81 84.42 6.58 11.92 83.11 7.35 2 0 1000.00-999 ?-999 ?-999 ? mGLN~D 102 9.83 84.23 5.23 9.42 84.46 6.12 9.28 85.10 2.99 9.54 84.85 1.81 9.07 83.99 4.02 7.58 83.86 4.36 2 0 1000.00-999 ?-999 ?-999 ? mILE~D 103 9.18 86.34 3.44 8.99 86.43 4.42 10.67 87.44 1.88 10.81 87.83 0.72 9.33 87.45 2.55 9.13 88.73 3.31 3 0 1000.00-999 ?-999 ?-999 ? mALA~D 104 11.68 87.00 2.60 11.46 86.70 3.53 12.99 86.01 0.85 13.57 86.28 -0.19 13.00 86.98 2.02 14.02 86.57 3.06 2 0 1000.00-999 ?-999 ?-999 ? mMETD 105 12.31 84.88 1.01 11.87 84.78 1.90 11.60 84.47 -1.33 11.97 84.10 -2.43 12.24 83.91 -0.06 11.45 82.67 0.39 2 0 1000.00-999 ?-999 ?-999 ? mLYS~D 106 10.64 85.37 -1.18 10.47 85.59 -0.22 10.59 86.06 -3.71 10.16 85.41 -4.67 9.90 85.98 -2.31 9.43 87.38 -1.89 2 0 1000.00-999 ?-999 ?-999 ? mPRO~D 107 11.66 86.86 -3.84 11.92 87.34 -3.00 12.71 85.71 -5.83 12.45 85.57 -7.02 12.37 87.01 -5.11 13.62 87.79 -4.72 3 0 1000.00-999 ?-999 ?-999 ? mLEU~D 108 13.31 84.77 -5.11 13.48 84.99 -4.16 12.43 82.71 -6.10 12.44 81.97 -7.06 13.66 83.51 -5.74 14.53 82.68 -4.82 3 0 1000.00-999 ?-999 ?-999 ? mGLU~D 109 11.37 82.88 -5.32 11.51 83.52 -4.57 9.36 82.72 -6.74 8.67 82.00 -7.43 10.12 82.16 -5.55 9.25 82.20 -4.29 2 0 1000.00-999 ?-999 ?-999 ? mGLU~D 110 9.50 84.02 -6.98 10.08 84.50 -6.32 9.57 84.24 -9.36 8.97 84.01 -10.43 8.84 84.68 -8.10 8.94 86.19 -7.94 2 0 1000.00-999 ?-999 ?-999 ? mLEU~D 111 10.89 84.09 -9.22 11.23 84.30 -8.30 11.52 82.19 -10.61 11.56 81.78 -11.76 11.73 83.66 -10.32 13.19 83.91 -10.00 3 0 1000.00-999 ?-999 ?-999 ? mHIS~D 112 11.31 81.39 -9.58 11.34 81.82 -8.68 9.74 79.94 -10.58 9.53 79.09 -11.44 11.06 79.98 -9.81 10.90 79.23 -8.48 3 0 1000.00-999 ?-999 ?-999 ? mARG~D 113 8.87 80.89 -10.26 9.18 81.51 -9.54 7.80 81.10 -12.39 7.19 80.38 -13.17 7.57 81.01 -10.90 6.85 82.27 -10.44 2 0 1000.00-999 ?-999 ?-999 ? mSER~D 114 8.67 82.00 -12.80 9.10 82.55 -12.08 9.48 80.80 -14.75 8.84 80.20 -15.62 8.95 82.13 -14.20 9.98 83.22 -14.42 2 0 1000.00-999 ?-999 ?-999 ? mPHE~D 115 10.63 80.35 -14.20 10.98 80.97 -13.50 10.40 78.05 -15.23 10.82 77.29 -16.10 11.32 79.10 -14.59 12.07 78.48 -13.38 3 0 1000.00-999 ?-999 ?-999 ? mMETD 116 9.16 77.97 -14.77 8.95 78.59 -14.01 7.64 77.72 -16.65 6.52 78.27 -16.60 8.21 77.04 -15.36 7.07 76.77 -14.38 2 0 1000.00-999 ?-999 ?-999 ?