HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 31-AUG-06 2I7R COMPND CONSERVED DOMAIN PROTEIN; COMPND 3 CHAIN: A, B; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOCOCCUS PNEUMONIAE; SOURCE 3 ORGANISM_TAXID: 1313; SOURCE 4 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 5 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 6 EXPRESSION_SYSTEM_STRAIN: BL21 MAGIC; SOURCE 7 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 8 EXPRESSION_SYSTEM_PLASMID: PMCSG7 AUTHOR N.E.C.DUKE,M.ZHOU,J.ABDULLAH,A.JOACHIMIAK,MIDWEST CENTER AUTHOR 2 FOR STRUCTURAL GENOMICS (MCSG) HET MSE A 1 8 HET MSE A 46 8 HET MSE A 114 8 HET MSE B 1 8 HET MSE B 46 8 HET MSE B 114 8 mMETA 1 22.31 81.14 -16.95 23.06 81.55 -17.47 21.67 79.64 -15.01 22.62 78.88 -15.15 21.18 80.52 -16.17 20.29 79.66 -17.07 2 0 1000.00-999 ?-999 ?-999 ? mASN^A 2 20.96 79.72 -13.88 20.16 80.31 -13.95 20.13 78.61 -11.82 19.49 79.47 -11.20 21.35 79.00 -12.66 22.35 79.83 -11.83 2 0 1000.00-999 ?-999 ?-999 ? mLEU^A 3 19.80 77.32 -11.87 20.34 76.80 -12.54 19.22 76.73 -9.60 20.10 75.97 -9.25 18.75 76.73 -11.04 18.41 75.30 -11.52 3 0 1000.00-999 ?-999 ?-999 ? mASN^A 4 18.56 77.56 -8.79 17.64 77.72 -9.13 18.18 77.84 -6.36 18.63 77.82 -5.24 19.06 78.18 -7.55 18.92 79.73 -7.69 2 0 1000.00-999 ?-999 ?-999 ? mGLN^A 5 16.89 77.71 -6.64 16.69 77.66 -7.62 14.72 76.74 -6.08 14.29 76.80 -7.23 15.86 77.63 -5.61 15.34 79.04 -5.31 2 0 1000.00-999 ?-999 ?-999 ? mLEU^A 6 14.23 75.91 -5.18 14.70 75.92 -4.30 12.09 75.32 -4.36 12.45 75.29 -3.18 13.10 75.07 -5.47 13.54 73.60 -5.51 3 0 1000.00-999 ?-999 ?-999 ? mASP^A 7 10.85 75.63 -4.74 10.71 75.77 -5.72 8.91 74.50 -3.77 8.56 74.04 -4.84 9.80 75.74 -3.73 8.89 76.94 -3.98 2 0 1000.00-999 ?-999 ?-999 ? mILE^A 8 8.51 74.05 -2.61 8.96 74.49 -1.84 6.28 73.64 -1.78 6.40 74.23 -0.69 7.49 73.00 -2.45 7.97 71.80 -1.55 3 0 1000.00-999 ?-999 ?-999 ? mILE^A 9 5.13 73.52 -2.42 5.19 73.02 -3.29 3.20 73.01 -1.02 2.91 71.88 -1.51 3.88 74.09 -1.88 2.94 74.52 -3.00 3 0 1000.00-999 ?-999 ?-999 ? mVAL.A 10 2.99 73.35 0.25 3.23 74.30 0.44 1.47 73.19 2.19 1.63 74.39 2.39 2.44 72.43 1.26 3.57 71.72 2.08 3 0 1000.00-999 ?-999 ?-999 ? mSER.A 11 0.48 72.51 2.77 0.46 71.54 2.55 0.03 73.40 5.09 -0.44 74.31 5.79 -0.48 73.19 3.66 -1.81 72.45 3.70 2 0 1000.00-999 ?-999 ?-999 ? mASN~A 12 0.99 72.60 5.52 1.37 71.97 4.84 2.93 72.85 7.02 3.67 71.93 7.38 1.42 72.67 6.91 0.95 71.44 7.68 2 0 1000.00-999 ?-999 ?-999 ? mVAL~A 13 3.37 74.04 6.68 2.65 74.69 6.43 5.51 74.07 7.99 6.59 73.47 7.93 4.77 74.39 6.66 4.96 75.85 6.24 3 0 1000.00-999 ?-999 ?-999 ? mPRO~A 14 4.94 74.47 9.18 4.06 74.96 9.18 6.04 72.65 10.55 7.17 72.34 10.90 5.72 74.14 10.38 4.88 74.72 11.54 3 0 1000.00-999 ?-999 ?-999 ? mGLN~A 15 5.09 71.75 10.27 4.23 72.14 9.96 6.31 69.78 9.35 7.24 69.02 9.63 5.36 70.32 10.43 4.05 69.51 10.42 2 0 1000.00-999 ?-999 ?-999 ? mVAL~A 16 6.05 70.16 8.10 5.25 70.75 8.00 8.33 70.26 7.27 9.30 69.55 7.08 6.91 69.74 7.01 6.30 70.17 5.62 3 0 1000.00-999 ?-999 ?-999 ? mCYH~A 17 8.42 71.49 7.79 7.54 71.93 7.94 10.43 71.36 9.17 11.61 70.99 8.99 9.71 72.14 8.10 9.56 73.62 8.53 2 0 1000.00-999 ?-999 ?-999 ? mALA~A 18 9.74 71.11 10.29 8.81 71.49 10.28 10.82 68.98 10.98 11.92 68.56 11.34 10.30 70.36 11.42 9.26 70.23 12.50 2 0 1000.00-999 ?-999 ?-999 ? mASP~A 19 10.03 68.29 10.16 9.17 68.75 9.94 11.67 67.03 8.74 12.55 66.19 8.84 10.42 66.97 9.63 9.27 66.35 8.84 2 0 1000.00-999 ?-999 ?-999 ? mLEU~A 20 11.69 68.00 7.84 10.86 68.55 7.84 14.12 68.58 7.71 15.17 68.10 7.35 12.83 68.25 6.95 12.46 69.34 5.94 3 0 1000.00-999 ?-999 ?-999 ? mGLU~A 21 14.02 69.36 8.80 13.11 69.74 8.96 15.82 68.33 10.28 17.03 68.22 10.34 15.19 69.60 9.68 14.85 70.60 10.79 2 0 1000.00-999 ?-999 ?-999 ? mHIS~A 22 14.99 67.38 10.75 14.02 67.61 10.72 16.17 65.32 10.14 17.27 64.80 10.29 15.53 66.12 11.27 14.46 65.28 11.97 3 0 1000.00-999 ?-999 ?-999 ? mILE~A 23 15.50 65.26 8.99 14.62 65.74 8.97 17.39 65.10 7.37 18.32 64.36 7.08 16.06 64.51 7.88 15.07 64.40 6.74 3 0 1000.00-999 ?-999 ?-999 ? mLEU~A 24 17.46 66.42 7.27 16.65 66.90 7.61 19.67 67.32 7.79 20.83 67.63 7.49 18.61 67.08 6.72 18.20 68.42 6.12 3 0 1000.00-999 ?-999 ?-999 ? mASP~A 25 19.24 67.19 9.06 18.28 66.92 9.14 20.61 68.88 10.17 21.75 69.15 10.52 20.10 67.43 10.20 21.28 66.46 10.20 2 0 1000.00-999 ?-999 ?-999 ? mLYS.A 26 19.76 69.79 9.73 18.94 69.42 9.30 18.78 71.99 9.99 17.74 71.57 9.44 20.07 71.23 9.88 20.93 71.79 8.73 2 0 1000.00-999 ?-999 ?-999 ? mLYS.A 27 18.83 73.10 10.73 19.73 73.30 11.12 17.39 74.72 9.66 18.29 74.97 8.89 17.66 73.92 10.92 17.85 74.88 12.13 2 0 1000.00-999 ?-999 ?-999 ? mALA.A 28 16.13 75.13 9.49 15.47 74.67 10.08 16.55 77.42 8.81 16.69 77.81 9.97 15.76 76.14 8.52 14.27 76.42 8.64 2 0 1000.00-999 ?-999 ?-999 ? mASP.A 29 17.02 78.10 7.77 16.96 77.61 6.90 16.56 80.39 8.53 16.91 81.27 9.29 17.59 79.46 7.95 18.03 80.08 6.63 2 0 1000.00-999 ?-999 ?-999 ? mTYR^A 30 15.31 80.22 8.16 15.17 79.44 7.54 12.89 80.39 8.33 12.74 79.74 7.30 14.22 81.07 8.60 14.27 82.43 7.86 3 0 1000.00-999 ?-999 ?-999 ? mALA^A 31 11.93 80.55 9.22 12.16 81.17 9.97 9.51 80.71 9.70 9.73 81.37 10.68 10.63 79.88 9.09 10.69 78.51 9.78 2 0 1000.00-999 ?-999 ?-999 ? mASN^A 32 8.32 80.58 9.11 8.37 79.91 8.37 5.95 80.26 9.48 6.12 79.14 9.02 7.06 81.27 9.41 6.65 82.16 8.22 2 0 1000.00-999 ?-999 ?-999 ? mASP.A 33 4.77 80.67 9.94 4.74 81.59 10.33 3.42 79.28 8.41 2.85 78.23 8.21 3.63 79.78 9.85 2.34 80.46 10.36 2 0 1000.00-999 ?-999 ?-999 ? mGLY.A 34 3.86 80.06 7.42 4.37 80.86 7.73 4.79 79.70 5.07 4.60 79.57 3.87 3.60 79.76 6.02-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mPHE^A 35 6.00 79.77 5.59 6.02 79.81 6.59 8.35 79.26 5.59 8.40 79.57 6.77 7.19 79.78 4.76 7.46 81.22 4.32 3 0 1000.00-999 ?-999 ?-999 ? mALA^A 36 9.26 78.51 4.97 8.98 78.26 4.04 11.62 78.05 4.47 11.33 77.74 3.31 10.56 78.09 5.56 10.45 76.71 6.24 2 0 1000.00-999 ?-999 ?-999 ? mGLN^A 37 12.84 78.40 4.84 12.95 78.61 5.81 15.04 77.61 4.38 15.51 77.82 5.50 13.92 78.45 3.88 14.44 79.89 3.72 2 0 1000.00-999 ?-999 ?-999 ? mPHE^A 38 15.52 76.70 3.54 14.99 76.59 2.70 17.75 76.30 2.81 17.44 76.51 1.64 16.70 75.93 3.83 16.42 74.43 3.71 3 0 1000.00-999 ?-999 ?-999 ? mTHR^A 39 18.99 76.38 3.26 19.06 76.41 4.26 20.80 75.04 2.41 21.04 74.49 3.49 20.14 76.43 2.36 21.08 77.59 2.74 2 0 1000.00-999 ?-999 ?-999 ? mILE^A 40 21.01 74.44 1.25 20.68 74.95 0.45 22.82 73.27 0.17 22.66 72.98 -1.03 21.67 73.16 1.16 20.73 72.00 0.73 3 0 1000.00-999 ?-999 ?-999 ? mGLY.A 41 23.97 73.68 0.69 23.95 73.79 1.68 24.89 75.18 -0.96 24.69 76.25 -0.42 25.15 73.94 -0.13-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mSER.A 42 24.81 74.98 -2.27 24.85 74.01 -2.51 23.26 76.21 -3.75 23.03 76.88 -4.78 24.69 76.04 -3.28 25.49 75.62 -4.51 2 0 1000.00-999 ?-999 ?-999 ? mHIS^A 43 22.30 75.61 -3.07 22.62 75.19 -2.22 20.00 75.87 -2.36 20.30 75.47 -1.24 20.91 75.58 -3.55 20.65 74.19 -4.14 3 0 1000.00-999 ?-999 ?-999 ? mCYH^A 44 18.92 76.61 -2.57 18.87 76.99 -3.49 16.68 76.01 -1.78 16.33 75.77 -2.92 17.92 76.83 -1.52 17.50 78.29 -1.44 2 0 1000.00-999 ?-999 ?-999 ? mLEU^A 45 16.03 75.60 -0.71 16.48 75.83 0.15 13.78 75.60 0.09 13.97 75.66 1.30 14.78 74.87 -0.81 15.01 73.40 -0.39 3 0 1000.00-999 ?-999 ?-999 ? mMETA 46 12.72 76.15 -0.49 12.72 76.10 -1.49 10.42 75.84 0.47 10.07 75.04 -0.41 11.65 76.77 0.29 11.17 78.07 -0.37 2 0 1000.00-999 ?-999 ?-999 ? mLEU^A 47 9.74 76.00 1.60 10.24 76.51 2.30 7.47 76.67 1.79 7.76 77.67 2.45 8.40 75.47 1.76 8.28 74.69 3.07 3 0 1000.00-999 ?-999 ?-999 ? mSER^A 48 6.37 76.60 1.06 6.24 75.74 0.56 4.01 77.25 1.10 3.65 76.32 0.40 5.45 77.72 1.05 5.72 78.61 -0.17 2 0 1000.00-999 ?-999 ?-999 ? mGLN.A 49 3.19 77.88 1.94 3.63 78.56 2.52 1.04 78.39 0.88 0.10 77.92 0.25 1.77 77.58 1.96 1.20 77.86 3.35 2 0 1000.00-999 ?-999 ?-999 ? mASN.A 50 1.50 79.61 0.67 2.29 79.84 1.24 1.11 79.99 -1.75 2.16 79.45 -2.11 0.91 80.50 -0.33 1.53 81.92 -0.21 2 0 1000.00-999 ?-999 ?-999 ? mHIS.A 51 0.08 80.18 -2.57 -0.76 80.50 -2.13 0.62 81.22 -4.71 -0.17 82.15 -4.86 0.19 79.95 -4.00 -1.10 79.36 -4.54 3 0 1000.00-999 ?-999 ?-999 ? mLEU.A 52 1.90 81.26 -5.09 2.44 80.46 -4.85 1.69 82.55 -7.14 1.32 83.64 -7.56 2.43 82.42 -5.80 3.94 82.29 -5.99 3 0 1000.00-999 ?-999 ?-999 ? mVAL.A 53 1.45 81.41 -7.78 1.89 80.61 -7.38 -0.42 80.26 -8.74 -0.31 79.51 -7.76 0.61 81.37 -8.96 1.41 81.14 -10.27 3 0 1000.00-999 ?-999 ?-999 ? mPRO.A 54 -1.43 80.17 -9.62 -1.46 80.87 -10.34 -1.77 77.71 -9.65 -1.18 77.40 -10.68 -2.41 79.11 -9.50 -3.40 79.42 -10.64 3 0 1000.00-999 ?-999 ?-999 ? mLEU.A 55 -1.88 76.90 -8.60 -2.34 77.31 -7.82 -1.92 74.75 -7.43 -2.61 75.32 -6.59 -1.36 75.51 -8.63 0.19 75.49 -8.67 3 0 1000.00-999 ?-999 ?-999 ? mGLU.A 56 -1.62 73.46 -7.33 -1.05 73.11 -8.08 -0.96 72.39 -5.23 0.21 72.56 -5.56 -2.09 72.66 -6.22 -2.66 71.34 -6.76 2 0 1000.00-999 ?-999 ?-999 ? mASN.A 57 -1.27 71.98 -4.01 -2.24 72.05 -3.78 0.46 70.27 -3.75 -0.11 69.52 -4.61 -0.23 71.48 -3.13 -0.76 71.16 -1.73 2 0 1000.00-999 ?-999 ?-999 ? mPHE.A 58 1.71 70.13 -3.35 2.01 70.80 -2.67 1.96 67.78 -3.46 1.50 67.63 -2.34 2.57 69.09 -3.85 3.99 69.19 -3.24 3 0 1000.00-999 ?-999 ?-999 ? mGLN.A 59 1.95 66.84 -4.39 2.25 67.17 -5.28 2.74 64.53 -4.19 3.24 64.07 -3.16 1.54 65.48 -4.13 0.40 65.10 -5.09 2 0 1000.00-999 ?-999 ?-999 ? mSER.A 60 3.23 64.23 -5.38 2.79 64.70 -6.15 5.11 63.59 -6.77 4.84 64.58 -7.42 4.34 63.28 -5.50 3.82 61.82 -5.48 2 0 1000.00-999 ?-999 ?-999 ? mGLY.A 61 6.09 62.76 -7.10 6.36 62.11 -6.39 8.02 63.54 -8.53 8.43 63.89 -9.61 6.70 62.82 -8.42-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mILE^A 62 8.72 63.75 -7.43 8.27 63.53 -6.56 11.06 63.54 -6.65 10.66 62.91 -5.67 10.08 64.27 -7.55 10.17 65.82 -7.30 3 0 1000.00-999 ?-999 ?-999 ? mILE^A 63 12.33 63.62 -7.01 12.45 64.00 -7.93 14.40 64.36 -6.06 14.82 64.92 -7.08 13.43 63.19 -6.14 14.12 61.90 -6.69 3 0 1000.00-999 ?-999 ?-999 ? mILE^A 64 14.73 64.73 -4.83 14.27 64.19 -4.13 16.95 65.13 -4.14 17.01 64.48 -3.08 15.64 65.82 -4.52 15.12 66.62 -3.30 3 0 1000.00-999 ?-999 ?-999 ? mHIS^A 65 17.96 65.26 -5.00 17.75 65.82 -5.80 20.22 65.56 -4.08 20.44 66.68 -4.55 19.27 64.61 -4.77 19.93 64.12 -6.07 3 0 1000.00-999 ?-999 ?-999 ? mILE^A 66 20.82 65.07 -3.00 20.57 64.13 -2.77 23.11 65.15 -2.19 23.23 64.02 -1.67 21.76 65.86 -2.22 21.25 66.12 -0.78 3 0 1000.00-999 ?-999 ?-999 ? mGLU^A 67 24.10 65.79 -2.80 23.87 66.65 -3.25 26.10 65.41 -1.39 26.14 66.51 -0.84 25.44 65.22 -2.78 26.32 65.79 -3.88 2 0 1000.00-999 ?-999 ?-999 ? mVAL.A 68 26.58 64.31 -0.83 26.51 63.49 -1.41 28.53 63.62 0.50 28.84 62.90 -0.46 27.15 64.30 0.52 26.23 63.56 1.53 3 0 1000.00-999 ?-999 ?-999 ? mGLU.A 69 29.32 63.83 1.55 28.96 64.47 2.23 30.51 61.71 2.15 31.26 60.85 1.70 30.62 63.16 1.67 31.57 63.96 2.58 2 0 1000.00-999 ?-999 ?-999 ? mASP~A 70 29.56 61.43 3.04 28.96 62.20 3.26 27.98 59.64 3.65 27.20 60.08 4.51 29.43 60.09 3.63 30.05 60.07 5.05 2 0 1000.00-999 ?-999 ?-999 ? mVAL~A 71 27.63 58.75 2.71 28.38 58.46 2.13 25.87 57.32 3.70 24.74 57.39 4.22 26.28 58.24 2.55 26.09 57.53 1.18 3 0 1000.00-999 ?-999 ?-999 ? mASP~A 72 26.81 56.49 4.12 27.69 56.60 3.65 26.43 56.12 6.54 25.58 55.68 7.29 26.60 55.50 5.16 27.73 54.47 5.14 2 0 1000.00-999 ?-999 ?-999 ? mGLN~A 73 27.18 57.17 6.83 27.90 57.38 6.17 25.50 58.58 8.09 24.84 58.53 9.13 26.92 57.94 8.05 28.04 58.94 8.36 2 0 1000.00-999 ?-999 ?-999 ? mASN~A 74 25.04 59.17 6.97 25.70 59.23 6.22 22.67 58.53 7.10 21.67 58.70 7.81 23.66 59.65 6.88 23.40 60.34 5.53 2 0 1000.00-999 ?-999 ?-999 ? mTYR~A 75 22.96 57.38 6.51 23.78 57.41 5.94 21.92 55.83 8.16 20.79 55.69 8.59 22.15 56.18 6.70 22.76 54.99 5.98 3 0 1000.00-999 ?-999 ?-999 ? mLYS~A 76 23.02 55.70 8.90 23.87 55.85 8.39 22.15 56.42 11.08 21.31 56.06 11.91 22.98 55.38 10.31 24.40 55.31 10.90 2 0 1000.00-999 ?-999 ?-999 ? mARG~A 77 22.41 57.68 10.79 23.11 57.81 10.09 20.21 58.65 11.22 19.42 58.69 12.19 21.72 58.79 11.43 22.24 60.13 10.87 2 0 1000.00-999 ?-999 ?-999 ? mLEU~A 78 19.83 58.43 9.97 20.58 58.35 9.32 17.73 57.11 10.17 16.55 57.20 10.52 18.43 58.34 9.60 18.23 58.43 8.08 3 0 1000.00-999 ?-999 ?-999 ? mASN~A 79 18.43 55.98 10.25 19.36 56.07 9.89 17.59 54.92 12.29 16.55 54.47 12.77 17.88 54.73 10.82 18.85 53.54 10.66 2 0 1000.00-999 ?-999 ?-999 ? mGLU~A 80 18.53 55.54 13.01 19.35 55.78 12.49 17.14 56.76 14.62 16.48 56.65 15.63 18.33 55.84 14.43 19.54 56.53 15.06 2 0 1000.00-999 ?-999 ?-999 ? mLEU~A 81 16.86 57.65 13.66 17.52 57.64 12.91 14.37 57.89 13.43 13.33 58.43 13.77 15.71 58.55 13.73 15.87 59.75 12.78 3 0 1000.00-999 ?-999 ?-999 ? mGLY~A 82 14.38 56.73 12.77 15.28 56.36 12.56 12.54 56.60 11.09 11.35 56.38 10.81 13.13 56.10 12.40-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mILE.A 83 13.36 57.25 10.28 14.27 57.42 10.67 12.77 56.51 7.95 13.58 55.60 7.94 12.93 57.67 8.94 13.91 58.68 8.37 3 0 1000.00-999 ?-999 ?-999 ? mLYS.A 84 11.72 56.53 7.12 11.11 57.32 7.25 12.61 55.53 5.07 12.73 56.51 4.33 11.51 55.49 6.13 10.12 55.58 5.47 2 0 1000.00-999 ?-999 ?-999 ? mVAL^A 85 13.39 54.45 5.03 13.22 53.78 5.75 13.80 53.49 2.88 13.35 52.36 3.08 14.41 54.28 4.02 15.69 53.60 4.57 3 0 1000.00-999 ?-999 ?-999 ? mLEU^A 86 13.77 54.10 1.70 14.20 55.01 1.70 14.13 52.57 -0.24 13.68 51.63 -0.88 13.17 53.50 0.52 12.61 54.58 -0.42 3 0 1000.00-999 ?-999 ?-999 ? mHIS^A 87 15.44 52.86 -0.21 15.64 53.70 0.30 17.73 52.32 -0.05 18.14 53.47 0.01 16.46 52.04 -0.86 16.62 52.44 -2.35 3 0 1000.00-999 ?-999 ?-999 ? mGLY^A 88 18.28 51.28 0.60 17.82 50.43 0.36 20.62 51.72 0.75 20.47 51.83 -0.48 19.42 51.36 1.57-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mPRO^A 89 21.80 51.97 1.38 21.87 51.84 2.37 23.16 51.34 -0.62 23.19 50.15 -0.32 22.86 52.40 0.45 24.06 52.69 1.36 3 0 1000.00-999 ?-999 ?-999 ? mTHR^A 90 23.26 51.77 -1.86 23.02 52.74 -1.98 24.59 51.70 -3.85 24.66 52.92 -3.77 23.67 50.91 -2.94 22.48 50.31 -3.72 2 0 1000.00-999 ?-999 ?-999 ? mVAL^A 91 25.34 51.00 -4.70 25.17 50.01 -4.70 26.16 51.20 -6.98 25.76 50.07 -7.24 26.32 51.66 -5.54 27.76 51.43 -4.99 3 0 1000.00-999 ?-999 ?-999 ? mTHR.A 92 26.43 52.09 -7.93 26.61 53.02 -7.61 27.86 51.21 -9.66 28.83 51.52 -8.98 26.45 51.69 -9.31 26.07 52.84 -10.28 2 0 1000.00-999 ?-999 ?-999 ? mASP.A 93 27.97 50.46 -10.75 27.11 50.23 -11.21 30.25 51.21 -11.43 31.47 50.99 -11.47 29.28 50.04 -11.22 29.19 49.13 -12.45 2 0 1000.00-999 ?-999 ?-999 ? mTRP.A 94 29.75 52.45 -11.53 28.75 52.50 -11.50 30.90 54.32 -10.39 31.44 55.40 -10.38 30.63 53.61 -11.69 30.13 54.60 -12.80 3 0 1000.00-999 ?-999 ?-999 ? mGLY.A 95 30.53 53.70 -9.27 30.03 52.85 -9.42 29.88 55.28 -7.40 30.22 56.05 -6.49 30.86 54.26 -7.95-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mTHR.A 96 28.67 55.32 -7.94 28.51 54.69 -8.70 26.93 55.58 -6.33 26.16 54.68 -6.59 27.69 56.26 -7.42 26.75 56.79 -8.50 2 0 1000.00-999 ?-999 ?-999 ? mGLU^A 97 27.20 55.97 -5.10 27.88 56.70 -5.02 25.32 56.27 -3.61 25.45 57.49 -3.57 26.51 55.37 -3.97 27.45 55.22 -2.78 2 0 1000.00-999 ?-999 ?-999 ? mSER^A 98 24.16 55.66 -3.38 24.17 54.67 -3.49 22.13 55.78 -1.93 22.25 54.61 -1.65 22.99 56.44 -3.00 22.13 56.77 -4.23 2 0 1000.00-999 ?-999 ?-999 ? mLEU^A 99 21.28 56.60 -1.35 21.30 57.51 -1.76 19.14 57.08 -0.49 19.18 58.32 -0.50 20.40 56.26 -0.25 21.03 56.67 1.09 3 0 1000.00-999 ?-999 ?-999 ? mLEU^A 100 18.03 56.39 -0.69 18.17 55.40 -0.64 15.85 56.97 0.27 15.62 55.90 0.83 16.74 57.01 -0.95 16.07 56.29 -2.11 3 0 1000.00-999 ?-999 ?-999 ? mVAL^A 101 15.36 58.14 0.68 15.59 58.92 0.10 13.22 58.91 1.67 13.11 59.77 0.81 14.56 58.21 1.91 15.34 58.86 3.11 3 0 1000.00-999 ?-999 ?-999 ? mGLN^A 102 12.19 58.50 2.42 12.40 57.77 3.06 10.94 60.40 3.05 11.22 60.38 4.25 10.89 59.10 2.28 9.79 58.20 2.86 2 0 1000.00-999 ?-999 ?-999 ? mGLY.A 103 10.72 61.52 2.37 10.62 61.41 1.38 9.18 63.12 3.42 8.29 62.33 3.02 10.64 62.80 3.11-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mPRO~A 104 8.91 64.24 4.14 9.70 64.79 4.42 6.73 65.02 3.24 7.36 65.44 2.26 7.50 64.57 4.46 7.63 65.72 5.46 3 0 1000.00-999 ?-999 ?-999 ? mALA~A 105 5.39 64.94 3.27 5.03 64.44 4.05 4.75 64.97 0.82 4.59 65.69 -0.18 4.55 65.54 2.21 4.71 67.07 2.17 2 0 1000.00-999 ?-999 ?-999 ? mGLY~A 106 5.08 63.68 0.75 5.16 63.20 1.62 6.72 63.21 -1.09 7.05 62.60 -2.11 5.29 63.05 -0.56-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mLEU.A 107 7.57 64.02 -0.43 7.21 64.41 0.42 9.77 63.03 -0.79 9.57 62.33 0.20 8.93 64.27 -0.97 9.66 65.42 -0.29 3 0 1000.00-999 ?-999 ?-999 ? mVAL^A 108 10.68 62.80 -1.73 10.62 63.46 -2.48 13.05 62.35 -1.84 13.29 63.22 -2.69 11.66 61.72 -1.70 11.44 60.68 -2.86 3 0 1000.00-999 ?-999 ?-999 ? mLEU^A 109 13.97 61.93 -0.99 13.67 61.19 -0.39 16.31 61.45 -1.28 16.14 60.30 -0.85 15.30 62.54 -0.97 15.60 63.23 0.37 3 0 1000.00-999 ?-999 ?-999 ? mASP^A 110 17.34 61.83 -2.03 17.26 62.75 -2.40 19.73 61.61 -1.70 20.08 62.72 -2.10 18.49 60.94 -2.26 18.64 60.66 -3.76 2 0 1000.00-999 ?-999 ?-999 ? mPHE^A 111 20.37 60.96 -0.73 19.86 60.19 -0.34 22.72 60.47 -1.06 22.73 59.24 -0.91 21.71 61.34 -0.29 21.84 61.17 1.23 3 0 1000.00-999 ?-999 ?-999 ? mTYR^A 112 23.56 61.09 -1.89 23.54 62.09 -1.84 25.85 60.90 -2.87 26.10 62.03 -2.48 24.42 60.34 -2.80 23.79 60.25 -4.22 3 0 1000.00-999 ?-999 ?-999 ? mARG^A 113 26.77 60.08 -3.36 26.45 59.14 -3.48 28.66 59.78 -4.90 28.21 58.70 -5.21 28.14 60.51 -3.68 29.13 60.39 -2.48 2 0 1000.00-999 ?-999 ?-999 ? mMETA 114 29.60 60.38 -5.59 29.91 61.24 -5.19 31.62 59.44 -6.77 32.32 59.95 -5.92 30.11 59.79 -6.83 29.79 60.75 -7.98 2 0 1000.00-999 ?-999 ?-999 ? mLYS.A 115 32.08 58.53 -7.66 31.34 58.05 -8.12 34.35 59.40 -7.42 34.28 60.51 -7.98 33.52 58.26 -7.92 33.81 58.19 -9.43 2 0 1000.00-999 ?-999 ?-999 ? mMETB 1 26.90 68.98 2.50 27.71 69.17 3.05 25.47 69.66 0.49 25.61 70.87 0.65 25.68 68.70 1.66 24.42 68.73 2.52 2 0 1000.00-999 ?-999 ?-999 ? mASN^B 2 25.07 69.13 -0.66 24.96 68.14 -0.66 23.64 69.51 -2.67 23.69 68.46 -3.31 24.82 69.98 -1.83 26.08 70.16 -2.69 2 0 1000.00-999 ?-999 ?-999 ? mLEU^B 3 22.56 70.29 -2.63 22.62 71.06 -1.99 21.72 70.40 -4.96 21.74 71.56 -5.29 21.41 70.01 -3.46 20.15 70.68 -2.86 3 0 1000.00-999 ?-999 ?-999 ? mASN^B 4 21.95 69.41 -5.83 21.79 68.50 -5.44 21.71 68.84 -8.34 22.08 68.93 -9.51 22.41 69.65 -7.21 23.94 69.55 -7.33 2 0 1000.00-999 ?-999 ?-999 ? mGLN^B 5 20.72 68.04 -8.00 20.56 67.95 -7.01 18.51 67.24 -8.63 18.23 66.84 -7.49 19.97 67.37 -9.06 20.57 66.00 -9.40 2 0 1000.00-999 ?-999 ?-999 ? mLEU^B 6 17.61 67.60 -9.52 17.98 68.00 -10.36 15.62 66.54 -10.32 15.81 66.82 -11.49 16.20 67.42 -9.25 15.49 68.77 -9.26 3 0 1000.00-999 ?-999 ?-999 ? mASP^B 7 14.90 65.47 -9.93 14.87 65.32 -8.95 12.76 64.93 -10.91 12.16 64.97 -9.84 14.23 64.62 -10.91 14.36 63.15 -10.57 2 0 1000.00-999 ?-999 ?-999 ? mILE^B 8 12.20 65.10 -12.11 12.84 65.22 -12.86 10.26 63.79 -12.90 10.70 63.41 -14.00 10.73 65.10 -12.25 10.19 66.35 -13.06 3 0 1000.00-999 ?-999 ?-999 ? mILE^B 9 9.36 63.10 -12.21 9.12 63.50 -11.32 7.58 62.18 -13.59 6.56 62.66 -13.08 8.80 61.85 -12.74 8.44 60.85 -11.63 3 0 1000.00-999 ?-999 ?-999 ? mVAL.B 10 7.71 61.96 -14.89 8.61 61.58 -15.11 6.44 61.03 -16.82 7.32 60.19 -16.97 6.65 62.23 -15.89 6.98 63.49 -16.78 3 0 1000.00-999 ?-999 ?-999 ? mSER.B 11 5.28 61.00 -17.46 4.69 61.78 -17.23 5.43 60.03 -19.85 5.61 58.96 -20.46 4.89 59.97 -18.40 3.37 59.88 -18.46 2 0 1000.00-999 ?-999 ?-999 ? mASN~B 12 5.63 61.22 -20.42 5.51 62.00 -19.80 7.29 62.15 -21.96 7.27 63.30 -22.38 6.01 61.32 -21.86 4.87 61.98 -22.69 2 0 1000.00-999 ?-999 ?-999 ? mVAL~B 13 8.38 61.53 -21.54 8.26 60.57 -21.29 9.99 62.97 -22.75 10.31 64.16 -22.66 9.65 62.20 -21.46 10.81 61.24 -20.99 3 0 1000.00-999 ?-999 ?-999 ? mPRO~B 14 9.92 62.32 -23.94 9.58 61.38 -23.96 9.60 64.42 -25.32 10.20 65.40 -25.70 10.34 63.08 -25.12 10.10 62.09 -26.30 3 0 1000.00-999 ?-999 ?-999 ? mGLN~B 15 8.30 64.44 -25.05 7.93 63.59 -24.68 7.72 66.65 -24.16 7.82 67.84 -24.43 7.51 65.63 -25.29 6.03 65.29 -25.49 2 0 1000.00-999 ?-999 ?-999 ? mVAL~B 16 7.78 66.17 -22.90 7.59 65.19 -22.82 9.50 67.66 -22.02 9.71 68.87 -21.87 8.11 67.06 -21.77 7.97 66.38 -20.36 3 0 1000.00-999 ?-999 ?-999 ? mCYH~B 17 10.44 66.82 -22.44 10.15 65.87 -22.53 11.78 68.38 -23.82 12.42 69.40 -23.66 11.79 67.30 -22.75 12.68 66.13 -23.17 2 0 1000.00-999 ?-999 ?-999 ? mALA~B 18 11.05 68.15 -24.92 10.53 67.30 -24.91 10.39 70.41 -25.58 10.90 71.47 -25.88 11.01 69.08 -26.03 10.22 68.46 -27.25 2 0 1000.00-999 ?-999 ?-999 ? mASP~B 19 9.30 70.32 -24.83 8.97 69.39 -24.70 9.63 72.28 -23.35 9.72 73.49 -23.48 8.66 71.49 -24.26 7.41 71.09 -23.47 2 0 1000.00-999 ?-999 ?-999 ? mLEU~B 20 10.37 71.58 -22.48 10.16 70.61 -22.45 12.57 72.85 -22.41 13.00 73.95 -22.06 11.41 72.22 -21.66 11.95 71.26 -20.60 3 0 1000.00-999 ?-999 ?-999 ? mGLU~B 21 13.09 72.16 -23.42 12.73 71.23 -23.51 13.69 74.08 -24.91 14.51 74.97 -25.01 14.11 72.74 -24.32 14.46 71.79 -25.46 2 0 1000.00-999 ?-999 ?-999 ? mHIS~B 22 12.41 74.23 -25.29 11.85 73.41 -25.19 11.85 76.62 -24.72 12.32 77.75 -24.92 11.93 75.52 -25.81 10.60 75.36 -26.57 3 0 1000.00-999 ?-999 ?-999 ? mILE~B 23 11.27 76.27 -23.57 10.90 75.34 -23.55 12.57 77.68 -22.00 12.75 78.86 -21.75 11.20 77.19 -22.46 10.38 76.57 -21.31 3 0 1000.00-999 ?-999 ?-999 ? mLEU~B 24 13.53 76.76 -21.90 13.25 75.86 -22.23 15.75 77.59 -22.46 16.83 78.12 -22.18 14.86 77.05 -21.37 15.50 75.77 -20.80 3 0 1000.00-999 ?-999 ?-999 ? mASP~B 25 15.31 77.45 -23.70 14.39 77.05 -23.76 17.45 77.16 -24.76 18.48 77.79 -25.01 16.10 77.84 -24.86 16.30 79.35 -24.94 2 0 1000.00-999 ?-999 ?-999 ? mLYS.B 26 17.42 75.89 -24.33 16.54 75.60 -23.97 18.20 73.55 -24.47 17.19 73.11 -23.91 18.59 75.02 -24.40 19.61 75.29 -23.27 2 0 1000.00-999 ?-999 ?-999 ? mLYS.B 27 19.04 72.81 -25.17 19.83 73.31 -25.51 19.21 70.56 -24.23 20.13 70.89 -23.50 18.84 71.41 -25.42 19.71 71.02 -26.62 2 0 1000.00-999 ?-999 ?-999 ? mALA.B 28 18.49 69.46 -24.05 17.65 69.40 -24.59 20.39 68.06 -23.45 20.78 68.03 -24.63 18.92 68.43 -23.12 18.02 67.22 -23.22 2 0 1000.00-999 ?-999 ?-999 ? mASP.B 29 21.21 67.85 -22.41 20.83 68.15 -21.54 22.41 65.85 -23.18 23.25 65.45 -23.99 22.53 67.22 -22.55 23.19 67.02 -21.19 2 0 1000.00-999 ?-999 ?-999 ? mTYR^B 30 21.39 65.14 -22.75 20.81 65.61 -22.09 19.66 63.39 -22.91 19.06 63.82 -21.93 21.13 63.79 -23.20 22.12 62.82 -22.54 3 0 1000.00-999 ?-999 ?-999 ? mALA^B 31 19.09 62.57 -23.78 19.70 62.23 -24.49 17.49 60.90 -24.39 18.04 60.68 -25.47 17.69 62.21 -23.68 16.83 63.28 -24.33 2 0 1000.00-999 ?-999 ?-999 ? mASN^B 32 16.74 60.00 -23.78 16.55 60.19 -22.81 14.74 58.77 -24.20 14.16 59.70 -23.65 16.24 58.85 -24.49 17.03 57.58 -24.14 2 0 1000.00-999 ?-999 ?-999 ? mASP.B 33 14.11 57.66 -24.57 14.71 56.93 -24.91 12.11 57.63 -23.04 10.91 57.87 -22.84 12.66 57.57 -24.47 12.19 56.30 -25.18 2 0 1000.00-999 ?-999 ?-999 ? mGLY.B 34 12.96 57.41 -22.04 13.90 57.26 -22.33 13.29 58.31 -19.69 13.11 58.26 -18.48 12.50 57.41 -20.64-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mPHE^B 35 14.15 59.15 -20.25 14.10 59.22 -21.24 15.56 61.09 -20.19 15.84 60.97 -21.39 15.06 59.90 -19.42 16.27 59.01 -19.02 3 0 1000.00-999 ?-999 ?-999 ? mALA^B 36 15.71 62.23 -19.52 15.32 62.24 -18.60 17.18 64.13 -19.06 16.75 64.16 -17.89 16.41 63.37 -20.13 15.41 64.30 -20.87 2 0 1000.00-999 ?-999 ?-999 ? mGLN^B 37 18.31 64.73 -19.45 18.53 64.59 -20.42 19.36 66.88 -19.10 19.81 67.03 -20.22 19.14 65.51 -18.56 20.50 64.87 -18.38 2 0 1000.00-999 ?-999 ?-999 ? mPHE^B 38 19.08 67.87 -18.26 18.58 67.56 -17.45 20.49 69.64 -17.45 20.45 69.21 -16.31 19.44 69.26 -18.45 18.21 70.17 -18.26 3 0 1000.00-999 ?-999 ?-999 ? mTHR^B 39 21.43 70.48 -17.88 21.49 70.58 -18.87 21.84 72.63 -16.98 21.68 73.21 -18.05 22.30 71.17 -16.95 23.80 70.97 -17.33 2 0 1000.00-999 ?-999 ?-999 ? mILE.B 40 21.57 73.19 -15.81 21.69 72.59 -15.02 22.06 75.32 -14.77 21.74 75.59 -13.59 21.12 74.57 -15.71 19.62 74.72 -15.31 3 0 1000.00-999 ?-999 ?-999 ? mGLY.B 41 23.23 75.62 -15.31 23.31 75.38 -16.27 25.05 75.16 -13.79 25.70 74.31 -14.39 24.31 76.24 -14.55-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mSER.B 42 24.91 75.18 -12.47 24.26 75.87 -12.15 24.70 73.22 -10.97 25.03 72.55 -9.96 25.64 74.27 -11.59 26.31 75.10 -10.48 2 0 1000.00-999 ?-999 ?-999 ? mHIS.B 43 23.51 73.09 -11.54 23.35 73.69 -12.32 21.85 71.43 -12.19 21.71 71.96 -13.29 22.54 72.15 -11.03 21.59 72.87 -10.09 3 0 1000.00-999 ?-999 ?-999 ? mCYH^B 44 21.48 70.17 -11.97 21.64 69.85 -11.04 19.40 69.18 -12.83 18.93 69.22 -11.71 20.89 69.38 -13.06 21.58 68.02 -13.20 2 0 1000.00-999 ?-999 ?-999 ? mLEU^B 45 18.67 68.99 -13.92 19.20 69.05 -14.77 17.02 67.53 -14.80 17.29 67.61 -15.99 17.25 68.71 -13.89 16.44 69.93 -14.37 3 0 1000.00-999 ?-999 ?-999 ? mMETB 46 16.56 66.43 -14.21 16.47 66.50 -13.21 14.71 65.11 -15.08 13.95 65.54 -14.19 16.23 65.24 -14.95 16.76 63.97 -14.26 2 0 1000.00-999 ?-999 ?-999 ? mLEU^B 47 14.32 64.51 -16.20 15.04 64.47 -16.90 13.11 62.45 -16.41 14.01 61.89 -17.00 12.99 63.96 -16.42 12.44 64.46 -17.76 3 0 1000.00-999 ?-999 ?-999 ? mSER^B 48 12.24 61.77 -15.73 11.53 62.29 -15.27 11.02 59.68 -15.80 10.08 60.10 -15.16 12.37 60.35 -15.71 13.11 59.91 -14.46 2 0 1000.00-999 ?-999 ?-999 ? mGLN.B 49 10.94 58.61 -16.58 11.78 58.38 -17.06 9.68 56.84 -15.57 8.66 56.66 -14.87 9.71 57.86 -16.70 9.66 57.20 -18.08 2 0 1000.00-999 ?-999 ?-999 ? mASN.B 50 10.84 56.21 -15.36 11.58 56.52 -15.96 10.84 55.69 -12.95 11.18 56.85 -12.66 11.00 55.17 -14.37 12.39 54.52 -14.51 2 0 1000.00-999 ?-999 ?-999 ? mHIS.B 51 10.31 54.83 -12.10 10.01 53.97 -12.53 11.29 54.37 -9.93 11.15 53.19 -9.55 10.17 55.08 -10.68 8.79 54.60 -10.19 3 0 1000.00-999 ?-999 ?-999 ? mLEU.B 52 12.40 55.09 -9.74 12.37 55.98 -10.19 13.11 54.00 -7.63 13.67 52.99 -7.19 13.55 54.61 -8.96 14.54 55.76 -8.72 3 0 1000.00-999 ?-999 ?-999 ? mVAL.B 53 12.12 54.63 -6.99 11.91 55.52 -7.40 9.90 54.27 -6.09 9.52 54.80 -7.16 11.41 54.10 -5.83 11.85 54.79 -4.49 3 0 1000.00-999 ?-999 ?-999 ? mPRO.B 54 9.03 53.82 -5.16 9.40 53.36 -4.34 7.15 55.49 -5.19 7.59 56.12 -4.21 7.60 54.04 -5.43 6.88 53.07 -4.48 3 0 1000.00-999 ?-999 ?-999 ? mLEU.B 55 6.30 55.99 -6.10 6.07 55.31 -6.80 4.83 57.54 -7.34 4.90 56.74 -8.27 5.74 57.36 -6.10 6.88 58.41 -6.09 3 0 1000.00-999 ?-999 ?-999 ? mGLU.B 56 3.98 58.58 -7.34 4.00 59.08 -6.47 3.91 59.85 -9.48 4.86 60.53 -9.09 3.10 58.97 -8.49 1.84 59.72 -7.94 2 0 1000.00-999 ?-999 ?-999 ? mASN.B 57 3.56 59.85 -10.76 2.95 59.11 -11.05 3.87 62.29 -11.01 2.87 62.54 -10.27 4.07 60.89 -11.63 3.41 60.84 -13.02 2 0 1000.00-999 ?-999 ?-999 ? mPHE.B 58 4.80 63.20 -11.28 5.59 62.86 -11.80 3.26 65.12 -11.21 2.83 64.92 -12.38 4.64 64.57 -10.82 5.70 65.48 -11.43 3 0 1000.00-999 ?-999 ?-999 ? mGLN.B 59 2.61 65.83 -10.28 3.02 65.81 -9.37 1.47 68.11 -10.63 1.40 68.79 -11.66 1.36 66.55 -10.65 0.18 66.05 -9.80 2 0 1000.00-999 ?-999 ?-999 ? mSER.B 60 1.63 68.65 -9.44 1.68 67.99 -8.70 2.49 70.35 -7.95 2.91 69.40 -7.25 1.71 70.09 -9.23 0.28 70.71 -9.14 2 0 1000.00-999 ?-999 ?-999 ? mGLY.B 61 2.67 71.64 -7.64 2.51 72.28 -8.39 4.55 72.34 -6.11 5.00 72.28 -4.98 3.09 72.05 -6.32-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mILE^B 62 5.27 72.65 -7.18 4.78 72.50 -8.04 6.84 74.38 -8.03 6.16 74.50 -9.04 6.66 73.17 -7.10 7.77 72.09 -7.43 3 0 1000.00-999 ?-999 ?-999 ? mILE^B 63 7.75 75.25 -7.65 8.04 75.14 -6.70 9.78 76.09 -8.64 10.47 76.03 -7.62 8.28 76.28 -8.54 7.98 77.68 -8.00 3 0 1000.00-999 ?-999 ?-999 ? mILE^B 64 10.28 75.97 -9.87 9.58 75.98 -10.58 12.19 77.23 -10.47 11.66 77.81 -11.44 11.72 75.83 -10.13 11.99 74.97 -11.40 3 0 1000.00-999 ?-999 ?-999 ? mHIS^B 65 13.16 77.78 -9.73 13.52 77.17 -9.02 14.97 79.15 -10.59 15.92 78.59 -10.02 13.63 79.15 -9.94 13.78 79.97 -8.65 3 0 1000.00-999 ?-999 ?-999 ? mILE^B 66 15.05 79.86 -11.71 14.20 80.35 -11.93 16.76 81.36 -12.58 16.11 82.25 -13.14 16.25 79.94 -12.54 15.99 79.41 -13.98 3 0 1000.00-999 ?-999 ?-999 ? mGLU^B 67 17.92 81.59 -11.95 18.36 80.78 -11.55 19.15 83.31 -13.21 19.93 82.53 -13.78 18.47 82.95 -11.88 19.41 83.15 -10.69 2 0 1000.00-999 ?-999 ?-999 ? mVAL.B 68 18.79 84.48 -13.71 18.24 85.04 -13.09 19.65 86.34 -15.04 19.23 87.13 -14.20 19.17 84.90 -15.06 18.00 84.75 -16.07 3 0 1000.00-999 ?-999 ?-999 ? mGLU.B 69 20.55 86.66 -15.97 20.86 85.88 -16.50 19.96 89.00 -16.70 19.94 90.16 -16.31 21.03 88.04 -16.18 22.18 88.04 -17.16 2 0 1000.00-999 ?-999 ?-999 ? mASP~B 70 19.10 88.51 -17.60 19.21 87.54 -17.80 16.73 88.67 -18.26 16.49 87.82 -19.11 18.09 89.37 -18.21 18.52 89.84 -19.62 2 0 1000.00-999 ?-999 ?-999 ? mVAL~B 71 15.86 89.05 -17.31 16.24 89.70 -16.65 13.62 89.10 -18.38 12.80 88.36 -18.94 14.50 88.58 -17.22 13.86 89.00 -15.86 3 0 1000.00-999 ?-999 ?-999 ? mASP~B 72 13.75 90.38 -18.74 14.50 90.87 -18.30 13.03 90.38 -21.13 12.07 90.21 -21.84 12.83 90.95 -19.72 12.87 92.47 -19.69 2 0 1000.00-999 ?-999 ?-999 ? mGLN~B 73 14.28 90.08 -21.48 14.97 90.40 -20.84 13.94 87.96 -22.71 13.23 87.64 -23.67 14.62 89.35 -22.68 16.14 89.25 -22.74 2 0 1000.00-999 ?-999 ?-999 ? mASN~B 74 14.13 87.17 -21.64 14.74 87.54 -20.94 11.99 86.03 -21.70 11.36 85.19 -22.31 13.47 85.88 -21.53 13.77 85.17 -20.20 2 0 1000.00-999 ?-999 ?-999 ? mTYR~B 75 11.44 87.13 -21.19 12.07 87.71 -20.69 9.60 87.58 -22.82 8.61 86.98 -23.23 10.03 87.43 -21.35 9.68 88.68 -20.59 3 0 1000.00-999 ?-999 ?-999 ? mLYS~B 76 10.34 88.37 -23.60 11.14 88.78 -23.16 10.06 87.26 -25.78 9.09 86.89 -26.43 9.97 88.59 -25.00 10.72 89.79 -25.66 2 0 1000.00-999 ?-999 ?-999 ? mARG~B 77 11.19 86.55 -25.64 11.91 87.06 -25.15 10.19 84.23 -25.79 9.61 83.62 -26.68 11.37 85.17 -26.14 12.70 84.60 -25.63 2 0 1000.00-999 ?-999 ?-999 ? mLEU~B 78 9.80 84.17 -24.52 10.34 84.72 -23.89 7.29 83.80 -24.68 6.49 82.96 -25.09 8.65 83.34 -24.12 8.59 83.15 -22.60 3 0 1000.00-999 ?-999 ?-999 ? mASN~B 79 7.02 85.11 -24.68 7.69 85.67 -24.18 5.76 85.32 -26.86 4.68 85.00 -27.39 5.84 85.67 -25.37 5.76 87.19 -25.19 2 0 1000.00-999 ?-999 ?-999 ? mGLU~B 80 6.90 85.39 -27.52 7.67 85.72 -26.96 6.70 83.54 -29.11 5.81 83.21 -29.89 7.05 85.03 -28.92 8.47 85.33 -29.38 2 0 1000.00-999 ?-999 ?-999 ? mLEU~B 81 7.38 82.65 -28.36 8.11 83.05 -27.81 5.59 80.90 -28.03 5.14 79.79 -28.32 7.04 81.23 -28.36 7.92 80.46 -27.39 3 0 1000.00-999 ?-999 ?-999 ? mGLY~B 82 4.87 81.82 -27.42 5.37 82.67 -27.22 3.29 80.84 -25.77 2.17 80.38 -25.43 3.47 81.60 -27.08-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mILE.B 83 4.38 80.74 -25.01 5.21 81.13 -25.42 3.49 80.88 -22.66 3.60 82.11 -22.58 4.33 80.09 -23.69 5.75 79.72 -23.23 3 0 1000.00-999 ?-999 ?-999 ? mLYS.B 84 2.63 80.19 -21.91 2.61 79.20 -22.07 2.60 81.51 -19.76 3.35 80.81 -19.03 1.78 80.88 -20.92 0.67 79.99 -20.36 2 0 1000.00-999 ?-999 ?-999 ? mVAL^B 85 2.46 82.83 -19.63 1.85 83.25 -20.30 2.15 83.75 -17.49 1.00 84.13 -17.71 3.15 83.61 -18.61 3.66 84.97 -19.16 3 0 1000.00-999 ?-999 ?-999 ? mLEU^B 86 2.57 83.40 -16.28 3.52 83.11 -16.22 1.64 84.82 -14.47 0.61 85.26 -13.95 1.63 83.45 -15.15 1.88 82.29 -14.15 3 0 1000.00-999 ?-999 ?-999 ? mHIS^B 87 2.82 85.47 -14.47 3.55 84.93 -14.89 4.13 87.44 -14.70 5.26 86.96 -14.58 3.02 86.82 -13.91 3.51 86.80 -12.46 3 0 1000.00-999 ?-999 ?-999 ? mGLY^B 88 3.80 88.47 -15.50 2.83 88.71 -15.43 5.87 89.71 -15.53 5.83 89.48 -14.32 4.74 89.21 -16.39-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mPRO^B 89 6.90 90.36 -16.11 6.84 90.54 -17.09 7.52 91.72 -14.13 6.83 92.70 -14.45 8.00 90.73 -15.20 9.04 91.38 -16.11 3 0 1000.00-999 ?-999 ?-999 ? mTHR^B 90 7.79 91.38 -12.88 8.19 90.46 -12.79 8.81 92.28 -10.90 9.74 91.50 -11.14 7.53 92.25 -11.73 6.33 91.76 -10.90 2 0 1000.00-999 ?-999 ?-999 ? mVAL^B 91 8.85 93.20 -9.94 7.99 93.68 -9.82 9.64 93.75 -7.69 8.63 94.39 -7.43 10.04 93.47 -9.14 10.85 94.66 -9.73 3 0 1000.00-999 ?-999 ?-999 ? mTHR.B 92 10.40 93.24 -6.74 11.14 92.65 -7.06 10.80 94.87 -4.97 11.65 95.38 -5.71 10.11 93.55 -5.35 10.56 92.42 -4.40 2 0 1000.00-999 ?-999 ?-999 ? mASP.B 93 10.47 95.42 -3.81 9.77 94.95 -3.26 12.67 96.49 -3.20 13.43 97.47 -3.21 11.15 96.65 -3.43 10.48 97.33 -2.26 2 0 1000.00-999 ?-999 ?-999 ? mTRP.B 94 13.12 95.25 -3.04 12.43 94.53 -3.08 15.25 94.63 -4.11 16.39 94.19 -4.07 14.53 94.99 -2.83 14.74 93.94 -1.71 3 0 1000.00-999 ?-999 ?-999 ? mGLY.B 95 14.59 94.85 -5.25 13.65 95.15 -5.10 15.13 93.25 -7.19 15.84 92.94 -8.15 15.20 94.65 -6.58-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mTHR.B 96 14.28 92.38 -6.66 13.72 92.75 -5.92 13.19 90.92 -8.27 12.00 91.00 -8.00 14.23 90.98 -7.18 13.86 89.97 -6.09 2 0 1000.00-999 ?-999 ?-999 ? mGLU^B 97 13.66 90.85 -9.51 14.66 90.79 -9.56 12.48 89.43 -11.06 13.40 88.61 -11.20 12.78 90.86 -10.67 13.40 91.62 -11.86 2 0 1000.00-999 ?-999 ?-999 ? mSER^B 98 11.21 89.11 -11.19 10.57 89.87 -11.03 9.76 87.63 -12.66 8.96 88.55 -12.90 10.83 87.75 -11.56 10.40 86.98 -10.31 2 0 1000.00-999 ?-999 ?-999 ? mLEU^B 99 9.77 86.46 -13.31 10.50 85.86 -12.98 8.43 84.62 -14.18 9.26 83.72 -14.28 8.84 86.09 -14.37 9.52 86.27 -15.73 3 0 1000.00-999 ?-999 ?-999 ? mLEU^B 100 7.16 84.42 -13.89 6.63 85.26 -13.87 5.89 82.59 -14.89 5.06 83.29 -15.48 6.58 83.10 -13.65 5.59 83.16 -12.50 3 0 1000.00-999 ?-999 ?-999 ? mVAL^B 101 6.24 81.36 -15.28 6.89 80.90 -14.67 5.17 79.36 -16.25 5.69 78.60 -15.43 5.71 80.78 -16.49 6.75 80.82 -17.64 3 0 1000.00-999 ?-999 ?-999 ? mGLN^B 102 4.11 79.03 -16.98 3.70 79.78 -17.50 4.59 76.78 -17.77 4.86 77.02 -18.95 3.60 77.67 -17.00 2.20 77.62 -17.63 2 0 1000.00-999 ?-999 ?-999 ? mGLY.B 103 5.15 75.76 -17.12 4.99 75.73 -16.13 5.07 73.56 -18.19 3.87 73.53 -17.85 5.92 74.78 -17.88-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mPRO~B 104 5.70 72.51 -18.81 6.67 72.63 -19.01 4.66 70.48 -17.91 5.36 70.62 -16.90 4.92 71.31 -19.15 5.83 70.56 -20.09 3 0 1000.00-999 ?-999 ?-999 ? mALA~B 105 3.65 69.60 -17.97 3.05 69.73 -18.76 3.20 69.13 -15.56 3.53 68.50 -14.57 3.46 68.56 -16.96 4.68 67.60 -16.94 2 0 1000.00-999 ?-999 ?-999 ? mGLY~B 106 2.58 70.31 -15.50 2.40 70.71 -16.39 3.32 71.76 -13.63 3.15 72.34 -12.56 2.19 70.95 -14.24-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mLEU.B 107 4.48 71.80 -14.29 4.46 71.31 -15.16 5.46 74.00 -13.88 4.89 74.49 -14.86 5.65 72.51 -13.77 6.93 72.14 -14.54 3 0 1000.00-999 ?-999 ?-999 ? mVAL^B 108 5.99 74.72 -12.90 6.38 74.16 -12.17 7.48 76.64 -12.82 8.23 76.14 -11.99 6.01 76.19 -12.91 5.11 76.80 -11.76 3 0 1000.00-999 ?-999 ?-999 ? mLEU^B 109 7.89 77.53 -13.72 7.21 77.81 -14.40 9.26 79.52 -13.33 8.31 80.24 -13.63 9.24 78.03 -13.66 10.03 77.71 -14.92 3 0 1000.00-999 ?-999 ?-999 ? mASP^B 110 10.32 79.97 -12.69 10.97 79.26 -12.41 11.86 81.74 -12.97 12.82 81.11 -12.59 10.49 81.39 -12.42 10.38 81.66 -10.91 2 0 1000.00-999 ?-999 ?-999 ? mPHE^B 111 11.95 82.67 -13.93 11.08 82.95 -14.33 13.36 84.53 -13.56 12.48 85.39 -13.69 13.23 83.22 -14.32 13.30 83.47 -15.82 3 0 1000.00-999 ?-999 ?-999 ? mTYR^B 112 14.43 84.70 -12.77 15.15 84.02 -12.89 15.90 86.43 -11.74 16.89 85.77 -12.05 14.49 85.82 -11.83 13.93 85.44 -10.43 3 0 1000.00-999 ?-999 ?-999 ? mARG^B 113 15.96 87.70 -11.36 15.06 88.12 -11.23 17.10 89.19 -9.85 16.08 89.81 -9.56 17.23 88.41 -11.17 17.50 89.37 -12.36 2 0 1000.00-999 ?-999 ?-999 ? mMETB 114 18.16 89.18 -9.05 18.93 88.64 -9.38 18.94 91.23 -7.86 19.77 91.40 -8.74 18.14 89.93 -7.79 18.62 89.03 -6.66 2 0 1000.00-999 ?-999 ?-999 ? mLYS.B 115 18.70 92.15 -6.91 18.04 91.88 -6.21 20.89 93.27 -7.01 21.50 94.09 -7.67 19.40 93.45 -6.94 19.00 94.39 -5.79 2 0 1000.00-999 ?-999 ?-999 ?