HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 14-AUG-07 2QYA COMPND UNCHARACTERIZED CONSERVED PROTEIN; COMPND 3 CHAIN: A, B, C, D; COMPND 4 ENGINEERED: YES; COMPND 5 MUTATION: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: METHANOPYRUS KANDLERI AV19; SOURCE 3 ORGANISM_TAXID: 190192; SOURCE 4 STRAIN: AV19, DSM 6324, JCM 9639, NBRC 100938; SOURCE 5 GENE: MK0968; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3); SOURCE 7 EXPRESSION_SYSTEM_TAXID: 469008; SOURCE 8 EXPRESSION_SYSTEM_STRAIN: BL21(DE3); SOURCE 9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 10 EXPRESSION_SYSTEM_VECTOR: PET; SOURCE 11 EXPRESSION_SYSTEM_PLASMID: MODIFIED PET26 AUTHOR J.B.BONANNO,A.ZHANG,K.T.BAIN,J.ADAMS,S.OZYURT,D.SMITH, AUTHOR 2 S.WASSERMAN,J.M.SAUDER,S.K.BURLEY,S.C.ALMO,NEW YORK SGX AUTHOR 3 RESEARCH CENTER FOR STRUCTURAL GENOMICS (NYSGXRC) mALA.A 2 -24.82 8.43 88.36 -25.51 8.26 87.66 -22.46 8.02 89.00 -22.30 6.80 89.17 -23.80 8.68 89.41 -24.28 8.09 90.68 2 0 1000.00-999 ?-999 ?-999 ? mARG.A 3 -21.53 8.79 88.46 -21.71 9.77 88.55 -18.99 8.74 88.29 -18.80 9.93 88.50 -20.35 8.20 87.81 -20.42 8.34 86.28 2 0 1000.00-999 ?-999 ?-999 ? mVAL^A 4 -18.03 7.84 88.37 -18.31 6.90 88.20 -15.70 7.94 87.52 -15.78 6.87 86.93 -16.67 8.24 88.69 -16.26 7.54 90.00 3 0 1000.00-999 ?-999 ?-999 ? mLEU^A 5 -14.79 8.86 87.22 -14.91 9.72 87.71 -12.48 7.90 86.86 -11.90 8.36 87.88 -13.70 8.61 86.24 -13.26 9.94 85.59 3 0 1000.00-999 ?-999 ?-999 ? mLEU^A 6 -12.10 6.77 86.27 -12.68 6.48 85.51 -9.85 6.08 85.60 -10.10 5.68 84.45 -10.91 6.05 86.71 -11.24 4.63 87.13 3 0 1000.00-999 ?-999 ?-999 ? mASN^A 7 -8.68 6.59 85.97 -8.63 6.85 86.93 -6.41 6.05 85.72 -5.95 6.50 86.78 -7.58 6.74 85.06 -7.35 8.23 84.82 2 0 1000.00-999 ?-999 ?-999 ? mILE^A 8 -5.97 4.93 85.13 -6.52 4.68 84.33 -3.68 4.14 84.57 -3.87 3.71 83.42 -4.82 4.13 85.59 -5.18 2.64 85.81 3 0 1000.00-999 ?-999 ?-999 ? mHIS^A 9 -2.51 4.60 84.99 -2.52 4.96 85.92 -0.09 4.12 84.96 0.12 4.57 86.09 -1.32 4.58 84.15 -1.06 5.96 83.57 3 0 1000.00-999 ?-999 ?-999 ? mGLY^A 10 0.68 3.21 84.39 0.34 2.87 83.51 3.13 3.23 84.20 3.17 3.06 82.98 1.92 2.76 84.99-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mTHR^A 11 4.11 3.81 84.90 3.90 3.95 85.86 6.53 4.11 85.31 6.35 4.45 86.48 5.38 4.20 84.30 5.31 5.61 83.67 2 0 1000.00-999 ?-999 ?-999 ? mGLY.A 12 7.69 3.65 84.86 7.71 3.47 83.87 8.50 2.47 86.89 8.19 1.30 86.66 8.83 3.43 85.76-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mASP.A 13 8.56 2.98 88.13 8.80 3.95 88.15 6.91 2.37 89.90 6.60 1.81 90.96 8.29 2.16 89.33 9.28 2.49 90.43 2 0 1000.00-999 ?-999 ?-999 ? mTHR^A 14 6.08 3.14 89.18 6.36 3.19 88.22 3.60 3.48 88.91 3.55 3.57 87.67 4.89 3.84 89.69 5.09 5.39 89.54 2 0 1000.00-999 ?-999 ?-999 ? mVAL^A 15 2.54 3.09 89.63 2.74 2.88 90.58 0.36 4.02 89.72 0.26 4.02 90.96 1.20 2.99 89.01 0.57 1.58 89.16 3 0 1000.00-999 ?-999 ?-999 ? mVAL^A 16 -0.19 4.93 88.94 0.09 4.88 87.98 -2.55 5.51 89.10 -2.91 5.28 87.92 -1.11 5.91 89.43 -0.82 7.34 88.89 3 0 1000.00-999 ?-999 ?-999 ? mLEU^A 17 -3.36 5.41 90.16 -2.90 5.48 91.04 -5.41 6.55 90.43 -5.31 6.96 91.60 -4.78 5.23 90.03 -5.28 4.09 90.92 3 0 1000.00-999 ?-999 ?-999 ? mALA^A 18 -5.97 7.25 89.45 -5.89 6.83 88.54 -8.17 8.39 89.51 -8.65 7.82 88.53 -6.64 8.52 89.69 -6.09 9.63 88.79 2 0 1000.00-999 ?-999 ?-999 ? mLEU^A 19 -8.90 8.93 90.46 -8.38 9.41 91.16 -10.86 10.23 90.54 -10.32 11.04 91.30 -10.36 8.83 90.47 -10.84 8.05 91.68 3 0 1000.00-999 ?-999 ?-999 ? mCYH^A 20 -11.88 10.55 89.75 -12.18 9.81 89.15 -13.97 11.75 89.58 -14.40 10.99 88.70 -12.47 11.88 89.80 -11.85 12.75 88.71 2 0 1000.00-999 ?-999 ?-999 ? mASP^A 21 -14.77 12.50 90.35 -14.31 12.95 91.12 -16.39 13.18 88.64 -15.77 14.17 88.27 -16.20 12.61 90.05 -16.95 13.46 91.10 2 0 1000.00-999 ?-999 ?-999 ? mGLU.A 22 -17.22 12.52 87.86 -17.68 11.74 88.30 -17.94 14.34 86.37 -17.44 15.10 85.55 -17.43 12.91 86.47 -18.41 11.95 85.83 2 0 1000.00-999 ?-999 ?-999 ? mASP~A 23 -18.87 14.72 87.25 -19.13 14.01 87.91 -18.45 17.18 87.60 -18.77 18.37 87.49 -19.44 16.07 87.23 -20.72 16.15 88.08 2 0 1000.00-999 ?-999 ?-999 ? mLEU~A 24 -17.25 16.79 88.03 -17.14 15.80 88.08 -15.24 18.06 87.27 -14.56 19.07 87.31 -16.19 17.73 88.40 -15.36 17.17 89.55 3 0 1000.00-999 ?-999 ?-999 ? mLEU~A 25 -15.19 17.18 86.27 -15.82 16.42 86.36 -14.53 18.68 84.45 -15.69 19.04 84.18 -14.26 17.35 85.15 -14.34 16.15 84.21 3 0 1000.00-999 ?-999 ?-999 ? mGLY.A 26 -13.45 19.42 84.21 -12.59 18.99 84.48 -13.99 21.89 84.49 -14.38 22.94 84.00 -13.52 20.75 83.60-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mVAL.A 27 -13.96 21.70 85.81 -13.67 20.78 86.09 -13.06 23.42 87.33 -11.95 22.90 87.16 -14.32 22.77 86.74 -15.33 22.28 87.84 3 0 1000.00-999 ?-999 ?-999 ? mGLU^A 28 -13.22 24.57 87.98 -14.15 24.93 87.94 -12.38 25.33 90.16 -13.47 25.74 90.59 -12.11 25.22 88.67 -11.81 26.60 88.07 2 0 1000.00-999 ?-999 ?-999 ? mLEU^A 29 -11.40 24.92 90.95 -10.59 24.58 90.48 -10.51 25.93 92.95 -9.33 25.88 92.60 -11.54 24.97 92.39 -11.37 23.58 93.03 3 0 1000.00-999 ?-999 ?-999 ? mLYS^A 30 -10.99 26.82 93.82 -11.97 26.74 93.98 -9.97 27.42 95.92 -10.93 27.08 96.59 -10.14 27.80 94.46 -10.76 29.20 94.32 2 0 1000.00-999 ?-999 ?-999 ? mTYR^A 31 -8.73 27.45 96.40 -8.01 27.64 95.73 -7.18 27.87 98.31 -6.11 27.65 97.74 -8.49 27.22 97.82 -8.59 25.72 98.17 3 0 1000.00-999 ?-999 ?-999 ? mLYS.A 32 -7.32 28.67 99.37 -8.24 28.66 99.74 -5.34 30.18 98.88 -4.11 30.13 98.95 -6.23 29.50 99.93 -5.40 28.70 100.95 2 0 1000.00-999 ?-999 ?-999 ? mGLY.A 33 -5.98 30.84 97.91 -6.98 30.76 97.96 -4.88 30.78 95.65 -4.38 31.34 94.68 -5.28 31.59 96.87-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mARG^A 34 -5.10 29.47 95.72 -5.49 29.16 96.58 -5.93 28.46 93.59 -7.08 28.83 93.87 -4.79 28.58 94.60 -4.41 27.17 95.09 2 0 1000.00-999 ?-999 ?-999 ? mTHR^A 35 -5.59 27.94 92.42 -4.61 27.80 92.31 -6.25 26.22 90.91 -5.17 25.99 90.35 -6.58 27.62 91.39 -6.49 28.56 90.17 2 0 1000.00-999 ?-999 ?-999 ? mLEU^A 36 -7.15 25.29 91.17 -7.89 25.56 91.78 -7.92 23.88 89.37 -9.13 24.12 89.44 -7.02 23.97 90.59 -7.31 22.85 91.60 3 0 1000.00-999 ?-999 ?-999 ? mHIS^A 37 -7.31 23.56 88.24 -6.31 23.55 88.32 -8.20 21.72 86.93 -7.22 20.99 86.83 -8.02 23.24 87.01 -7.22 23.75 85.80 3 0 1000.00-999 ?-999 ?-999 ? mILE.A 38 -9.44 21.26 87.01 -10.14 21.96 87.18 -9.72 19.50 85.37 -10.76 19.28 84.75 -9.72 19.83 86.87 -11.05 19.37 87.56 3 0 1000.00-999 ?-999 ?-999 ? mSER.A 39 -8.51 19.48 84.80 -7.76 19.47 85.46 -8.33 18.07 82.76 -7.84 17.12 83.38 -8.30 19.46 83.35 -6.97 20.15 82.98 2 0 1000.00-999 ?-999 ?-999 ? mGLU.A 40 -8.88 17.97 81.55 -9.18 18.86 81.20 -7.79 15.87 80.68 -7.85 14.65 80.91 -9.05 16.72 80.81 -9.70 16.98 79.43 2 0 1000.00-999 ?-999 ?-999 ? mPRO.A 41 -6.63 16.48 80.33 -6.64 17.47 80.18 -5.17 14.83 81.55 -5.02 13.62 81.51 -5.47 15.59 80.23 -4.33 16.54 79.82 3 0 1000.00-999 ?-999 ?-999 ? mPHE.A 42 -5.16 15.52 82.68 -5.36 16.50 82.56 -6.01 14.10 84.57 -5.80 13.01 85.12 -4.86 14.91 83.99 -4.48 15.99 85.00 3 0 1000.00-999 ?-999 ?-999 ? mTYR.A 43 -7.21 14.64 84.45 -7.23 15.54 84.02 -9.22 13.61 83.71 -9.76 14.48 83.05 -8.40 13.96 84.93 -9.20 14.88 85.83 3 0 1000.00-999 ?-999 ?-999 ? mSER.A 44 -9.28 12.33 83.37 -8.78 11.72 83.98 -9.90 10.43 82.19 -8.95 9.91 81.62 -10.02 11.91 82.21 -9.40 12.45 80.92 2 0 1000.00-999 ?-999 ?-999 ? mGLY.A 45 -10.84 9.75 82.81 -11.61 10.29 83.16 -11.82 7.58 82.27 -12.63 8.17 81.55 -10.71 8.32 82.95-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mLYS^A 46 -11.83 6.28 82.45 -10.99 5.89 82.85 -14.13 5.83 83.06 -13.94 5.78 84.30 -12.98 5.50 82.08 -12.65 4.01 82.12 2 0 1000.00-999 ?-999 ?-999 ? mSER^A 47 -15.30 6.16 82.52 -15.31 6.15 81.52 -17.07 5.24 83.85 -17.39 4.34 83.06 -16.45 6.52 83.36 -17.45 7.39 82.61 2 0 1000.00-999 ?-999 ?-999 ? mMET^A 48 -17.17 5.11 85.17 -16.80 5.85 85.72 -18.59 4.14 86.98 -18.54 5.22 87.58 -17.81 3.90 85.69 -16.82 2.72 85.80 2 0 1000.00-999 ?-999 ?-999 ? mGLU~A 49 -19.36 3.13 87.33 -19.32 2.36 86.69 -19.29 2.80 89.70 -18.47 1.87 89.64 -20.19 3.12 88.50 -21.30 2.05 88.32 2 0 1000.00-999 ?-999 ?-999 ? mPRO~A 50 -19.44 3.56 90.79 -20.19 4.21 90.68 -18.25 2.07 92.43 -17.08 1.80 92.70 -18.63 3.49 92.02 -19.51 4.15 93.08 3 0 1000.00-999 ?-999 ?-999 ? mASP~A 51 -19.23 1.17 92.46 -20.12 1.52 92.19 -18.00 -0.90 91.93 -17.16 -1.67 92.38 -18.99 -0.22 92.86 -20.28 -1.02 92.90 2 0 1000.00-999 ?-999 ?-999 ? mARG~A 52 -18.11 -0.64 90.63 -18.89 -0.06 90.38 -15.77 -0.50 89.83 -14.75 -1.16 89.68 -17.13 -1.18 89.68 -17.63 -1.10 88.22 2 0 1000.00-999 ?-999 ?-999 ? mALA~A 53 -15.76 0.79 90.12 -16.66 1.22 90.15 -13.74 0.86 91.59 -12.56 0.51 91.49 -14.48 1.47 90.38 -14.69 2.97 90.55 2 0 1000.00-999 ?-999 ?-999 ? mALA~A 54 -14.47 0.68 92.70 -15.40 1.03 92.64 -13.32 -1.35 93.62 -12.25 -1.67 94.13 -13.93 0.02 93.90 -15.00 -0.09 95.00 2 0 1000.00-999 ?-999 ?-999 ? mLYS~A 55 -14.01 -2.14 92.78 -14.87 -1.76 92.45 -12.17 -3.32 91.63 -11.20 -4.01 91.95 -13.49 -3.45 92.39 -14.55 -4.23 91.60 2 0 1000.00-999 ?-999 ?-999 ? mLYS~A 56 -12.12 -2.44 90.62 -12.98 -1.96 90.47 -9.72 -1.72 90.67 -8.57 -2.08 90.43 -10.90 -2.24 89.83 -11.14 -1.31 88.63 2 0 1000.00-999 ?-999 ?-999 ? mILE~A 57 -10.02 -0.84 91.62 -10.99 -0.61 91.64 -8.43 -1.37 93.40 -7.22 -1.52 93.44 -9.02 -0.28 92.53 -9.60 0.93 93.36 3 0 1000.00-999 ?-999 ?-999 ? mARG~A 58 -9.29 -2.17 94.03 -10.24 -1.88 93.96 -7.94 -4.23 93.92 -6.90 -4.67 94.41 -8.86 -3.35 94.75 -10.05 -4.21 95.16 2 0 1000.00-999 ?-999 ?-999 ? mGLU~A 59 -8.34 -4.52 92.68 -9.18 -4.05 92.39 -6.22 -4.91 91.45 -5.26 -5.66 91.39 -7.58 -5.46 91.86 -8.36 -5.85 90.60 2 0 1000.00-999 ?-999 ?-999 ? mALA~A 60 -6.14 -3.61 91.14 -6.99 -3.10 91.20 -3.92 -2.98 91.93 -2.73 -3.20 91.77 -4.87 -3.02 90.73 -5.07 -1.63 90.14 2 0 1000.00-999 ?-999 ?-999 ? mVAL~A 61 -4.46 -2.73 93.13 -5.44 -2.56 93.11 -3.01 -4.09 94.63 -1.81 -4.18 94.85 -3.64 -2.72 94.36 -4.41 -2.15 95.59 3 0 1000.00-999 ?-999 ?-999 ? mGLN~A 62 -3.80 -5.16 94.56 -4.77 -4.96 94.44 -2.34 -6.86 93.50 -1.34 -7.55 93.69 -3.27 -6.50 94.66 -4.39 -7.55 94.79 2 0 1000.00-999 ?-999 ?-999 ? mGLU~A 63 -2.66 -6.39 92.30 -3.49 -5.85 92.27 -0.34 -6.24 91.28 0.58 -6.93 90.83 -1.82 -6.70 91.13 -2.43 -6.06 89.89 2 0 1000.00-999 ?-999 ?-999 ? mTYR~A 64 -0.15 -5.06 91.86 -0.97 -4.67 92.28 1.87 -4.45 93.23 2.93 -3.85 93.37 1.16 -4.42 91.89 1.03 -2.99 91.39 3 0 1000.00-999 ?-999 ?-999 ? mGLU~A 65 1.28 -5.17 94.20 0.50 -5.70 93.89 3.19 -5.61 95.76 3.78 -5.26 96.77 1.73 -5.18 95.58 0.81 -6.05 96.46 2 0 1000.00-999 ?-999 ?-999 ? mASP.A 66 3.74 -6.37 94.82 3.14 -6.59 94.05 6.01 -6.18 93.87 7.16 -6.55 93.72 5.13 -6.81 94.93 5.26 -8.34 94.81 2 0 1000.00-999 ?-999 ?-999 ? mGLU.A 67 5.47 -5.24 93.10 4.59 -4.88 93.40 6.34 -3.34 91.71 7.34 -2.89 91.13 6.18 -4.83 91.91 5.53 -5.46 90.68 2 0 1000.00-999 ?-999 ?-999 ? mLYS.A 68 5.37 -2.57 92.18 4.66 -3.04 92.71 4.85 -0.45 93.14 4.13 -1.04 93.95 5.38 -1.16 91.93 4.49 -0.83 90.70 2 0 1000.00-999 ?-999 ?-999 ? mTHR^A 69 5.19 0.83 93.25 5.97 1.10 92.69 3.14 2.13 93.48 3.12 2.52 92.30 4.47 1.73 94.14 5.31 2.96 94.48 2 0 1000.00-999 ?-999 ?-999 ? mVAL^A 70 2.05 2.04 94.25 2.22 1.68 95.16 0.38 3.76 94.46 0.30 3.83 95.69 0.72 2.44 93.77 -0.36 1.36 94.05 3 0 1000.00-999 ?-999 ?-999 ? mALA^A 71 0.26 4.83 93.66 0.48 4.65 92.70 -1.59 6.32 93.77 -1.95 6.13 92.59 -0.15 6.14 94.15 0.72 7.24 93.53 2 0 1000.00-999 ?-999 ?-999 ? mILE^A 72 -2.43 6.63 94.76 -1.99 6.66 95.66 -4.17 8.35 94.84 -3.74 8.91 95.85 -3.86 6.89 94.54 -4.76 5.98 95.42 3 0 1000.00-999 ?-999 ?-999 ? mASN^A 73 -4.89 8.96 93.91 -5.07 8.39 93.10 -6.87 10.23 93.71 -7.24 9.77 92.64 -5.38 10.31 94.03 -4.71 11.23 93.01 2 0 1000.00-999 ?-999 ?-999 ? mALA^A 74 -7.70 10.68 94.65 -7.25 10.95 95.50 -9.69 12.14 94.78 -9.36 12.73 95.81 -9.15 10.75 94.46 -9.85 9.65 95.25 2 0 1000.00-999 ?-999 ?-999 ? mLEU^A 75 -10.46 12.70 93.85 -10.58 12.14 93.03 -12.60 13.90 93.80 -13.10 13.52 92.71 -11.07 13.99 94.00 -10.45 14.98 93.00 3 0 1000.00-999 ?-999 ?-999 ? mGLY~A 76 -13.34 14.31 94.84 -12.80 14.65 95.60 -15.38 13.30 95.88 -14.73 12.36 96.33 -14.81 14.26 94.85-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mGLU~A 77 -16.63 13.56 96.25 -17.03 14.34 95.75 -17.51 11.34 96.87 -17.22 10.45 97.65 -17.36 12.80 97.25 -18.73 13.46 97.47 2 0 1000.00-999 ?-999 ?-999 ? mLEU~A 78 -17.99 11.10 95.65 -18.25 11.91 95.13 -16.76 9.07 95.00 -16.59 7.93 95.41 -18.11 9.74 95.14 -18.84 9.77 93.78 3 0 1000.00-999 ?-999 ?-999 ? mALA~A 79 -15.78 9.76 94.42 -16.07 10.67 94.10 -13.75 8.81 95.61 -13.08 7.78 95.70 -14.41 9.21 94.28 -13.49 10.18 93.50 2 0 1000.00-999 ?-999 ?-999 ? mCYH~A 80 -13.95 9.61 96.64 -14.50 10.43 96.47 -14.09 8.10 98.59 -13.47 7.24 99.25 -13.35 9.26 97.93 -13.21 10.48 98.82 2 0 1000.00-999 ?-999 ?-999 ? mSER~A 81 -15.40 8.05 98.36 -15.75 8.81 97.82 -15.83 5.65 98.22 -15.93 4.59 98.83 -16.23 6.96 98.87 -17.72 7.26 98.66 2 0 1000.00-999 ?-999 ?-999 ? mVAL~A 82 -15.37 5.73 96.97 -15.44 6.64 96.56 -13.54 4.08 96.99 -13.35 2.88 97.17 -14.79 4.57 96.28 -14.44 4.88 94.78 3 0 1000.00-999 ?-999 ?-999 ? mVAL~A 83 -12.66 5.01 97.37 -12.92 5.95 97.15 -11.75 3.93 99.39 -11.15 2.91 99.73 -11.43 4.62 98.05 -10.48 5.82 98.24 3 0 1000.00-999 ?-999 ?-999 ? mVAL~A 84 -12.73 4.47 100.12 -13.11 5.31 99.71 -13.83 2.53 101.15 -13.52 1.55 101.84 -13.22 3.91 101.40 -14.28 4.85 102.13 3 0 1000.00-999 ?-999 ?-999 ? mASP~A 85 -14.69 2.44 100.13 -14.80 3.27 99.58 -14.47 0.08 99.40 -14.81 -1.10 99.50 -15.37 1.18 99.90 -16.55 1.35 98.94 2 0 1000.00-999 ?-999 ?-999 ? mALA~A 86 -13.32 0.47 98.86 -13.23 1.46 98.74 -11.49 -1.01 99.68 -10.70 -1.93 99.54 -12.30 -0.51 98.47 -11.37 0.08 97.40 2 0 1000.00-999 ?-999 ?-999 ? mGLY.A 87 -11.71 -0.40 100.85 -12.38 0.33 100.78 -9.63 -0.14 102.20 -8.78 -0.61 102.96 -11.02 -0.76 102.10-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mLEU.A 88 -9.41 0.93 101.44 -10.22 1.31 100.99 -7.84 2.63 102.26 -6.68 2.93 102.60 -8.09 1.49 101.28 -7.89 1.95 99.83 3 0 1000.00-999 ?-999 ?-999 ? mALA.A 89 -8.91 3.28 102.69 -9.77 2.91 102.33 -10.09 4.39 104.51 -11.13 3.88 104.09 -8.85 4.40 103.61 -8.77 5.71 102.85 2 0 1000.00-999 ?-999 ?-999 ? mARG~A 90 -9.96 4.92 105.73 -9.02 5.16 105.97 -11.81 6.42 106.25 -11.18 7.37 105.76 -11.10 5.13 106.64 -10.67 5.25 108.11 2 0 1000.00-999 ?-999 ?-999 ? mGLU~A 91 -13.10 6.49 106.51 -13.50 5.66 106.91 -13.20 8.91 106.81 -13.16 9.95 106.16 -13.86 7.69 106.21 -15.32 7.57 106.65 2 0 1000.00-999 ?-999 ?-999 ? mASP~A 92 -12.67 8.78 108.03 -12.71 7.86 108.41 -10.70 10.41 108.22 -10.20 11.48 108.63 -12.07 9.95 108.74 -12.10 9.78 110.27 2 0 1000.00-999 ?-999 ?-999 ? mGLU~A 93 -10.13 9.62 107.31 -10.68 8.82 107.07 -8.92 10.77 105.47 -7.94 11.38 105.04 -8.82 9.91 106.72 -8.09 8.60 106.40 2 0 1000.00-999 ?-999 ?-999 ? mILE~A 94 -10.11 10.84 104.90 -10.84 10.35 105.38 -10.06 13.06 103.91 -10.59 13.62 104.86 -10.31 11.58 103.66 -11.74 11.34 103.09 3 0 1000.00-999 ?-999 ?-999 ? mGLY^A 95 -9.24 13.69 103.08 -8.80 13.12 102.39 -10.05 15.90 102.42 -11.16 15.44 102.19 -9.04 15.12 103.23-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mGLU^A 96 -9.65 17.10 102.01 -8.75 17.38 102.34 -9.59 18.91 100.45 -8.51 19.23 100.94 -10.48 17.92 101.16 -11.56 18.67 101.97 2 0 1000.00-999 ?-999 ?-999 ? mLEU.A 97 -10.04 19.38 99.30 -10.94 19.03 99.03 -10.20 21.26 97.76 -10.72 20.92 96.70 -9.27 20.32 98.50 -8.39 19.56 97.50 3 0 1000.00-999 ?-999 ?-999 ? mGLY.A 98 -10.41 22.44 98.33 -9.88 22.59 99.17 -12.77 23.12 98.12 -13.65 23.22 97.26 -11.33 23.43 97.77-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mGLY.A 99 -13.00 22.72 99.37 -12.19 22.72 99.95 -14.80 20.98 99.25 -15.90 20.50 99.59 -14.34 22.31 99.82-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mVAL.A 100 -13.97 20.38 98.38 -13.13 20.89 98.21 -13.43 17.97 98.37 -12.23 18.15 98.52 -14.28 19.08 97.75 -14.03 19.11 96.22 3 0 1000.00-999 ?-999 ?-999 ? mPRO^A 101 -14.04 16.82 98.71 -15.02 16.76 98.54 -12.05 15.31 98.42 -12.15 15.29 97.18 -13.23 15.74 99.30 -14.23 14.60 99.47 3 0 1000.00-999 ?-999 ?-999 ? mHIS^A 102 -10.94 15.00 99.07 -11.02 15.01 100.06 -8.93 13.69 99.22 -8.93 13.81 100.44 -9.71 14.65 98.37 -8.89 15.91 98.11 3 0 1000.00-999 ?-999 ?-999 ? mVAL^A 103 -8.33 12.69 98.59 -8.60 12.59 97.63 -6.19 11.51 98.31 -6.36 11.34 97.09 -7.37 11.81 99.24 -8.01 10.53 99.84 3 0 1000.00-999 ?-999 ?-999 ? mGLN^A 104 -4.98 11.52 98.89 -5.00 11.88 99.82 -3.09 9.97 99.13 -2.91 10.17 100.36 -3.76 11.04 98.25 -2.83 12.22 97.99 2 0 1000.00-999 ?-999 ?-999 ? mMET^A 105 -2.75 8.82 98.51 -2.95 8.82 97.54 -0.95 7.10 98.38 -0.99 7.03 97.14 -2.15 7.67 99.18 -3.12 6.50 99.33 2 0 1000.00-999 ?-999 ?-999 ? mTYR^A 106 0.09 6.67 99.08 0.05 6.88 100.05 1.24 4.61 99.10 1.34 4.51 100.33 1.19 5.96 98.45 2.50 6.70 98.64 3 0 1000.00-999 ?-999 ?-999 ? mILE^A 107 1.13 3.58 98.28 1.03 3.82 97.31 2.38 1.64 98.15 2.41 1.38 96.94 1.14 2.22 98.75 -0.09 1.46 98.31 3 0 1000.00-999 ?-999 ?-999 ? mLEU.A 108 3.42 1.47 98.98 3.26 1.74 99.93 4.64 -0.59 98.42 3.82 -1.20 99.09 4.69 0.93 98.50 5.89 1.46 99.35 3 0 1000.00-999 ?-999 ?-999 ? mPRO.A 109 5.49 -1.22 97.59 6.11 -0.63 97.07 5.83 -3.40 98.82 6.53 -2.80 99.67 5.43 -2.68 97.51 6.48 -3.04 96.44 3 0 1000.00-999 ?-999 ?-999 ? mARG.A 110 5.42 -4.66 98.94 4.80 -4.98 98.23 7.35 -5.72 99.96 7.90 -5.93 98.86 5.85 -5.47 100.06 5.09 -6.80 100.10 2 0 1000.00-999 ?-999 ?-999 ? mGLU.A 111 8.00 -5.68 101.12 7.47 -5.29 101.87 9.46 -7.59 100.71 8.55 -8.40 100.88 9.37 -6.18 101.26 9.77 -6.18 102.74 2 0 1000.00-999 ?-999 ?-999 ? mPRO.A 112 10.58 -7.91 100.04 11.30 -7.21 100.02 10.74 -10.37 100.44 11.27 -10.21 101.54 10.66 -9.23 99.42 11.97 -9.15 98.59 3 0 1000.00-999 ?-999 ?-999 ? mPHE.A 113 10.21 -11.52 100.05 9.76 -11.49 99.16 10.35 -13.91 99.94 10.01 -13.80 98.75 10.27 -12.72 100.87 9.10 -12.82 101.88 3 0 1000.00-999 ?-999 ?-999 ? mLEU.A 114 10.86 -15.03 100.46 11.18 -14.93 101.40 9.86 -17.19 100.27 9.43 -17.02 101.40 10.93 -16.27 99.73 12.30 -16.93 99.90 3 0 1000.00-999 ?-999 ?-999 ? mGLU.A 115 9.47 -18.18 99.45 9.82 -18.08 98.52 9.29 -20.61 99.55 9.88 -20.72 98.48 8.60 -19.30 99.88 7.28 -19.26 99.14 2 0 1000.00-999 ?-999 ?-999 ? mGLY.A 116 9.19 -21.61 100.43 8.55 -21.42 101.18 9.63 -23.72 99.08 9.19 -24.89 99.20 9.94 -22.87 100.30-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mALA.B 2 24.06 5.97 73.04 24.01 5.38 72.24 22.79 7.56 74.48 22.64 8.81 74.43 24.14 6.86 74.28 25.26 7.90 74.16 2 0 1000.00-999 ?-999 ?-999 ? mARG.B 3 21.79 6.72 74.66 22.05 5.77 74.81 19.73 6.81 75.96 19.92 5.73 76.47 20.42 7.20 74.65 19.68 6.65 73.42 2 0 1000.00-999 ?-999 ?-999 ? mVAL^B 4 18.95 7.74 76.50 19.06 8.66 76.13 16.61 7.61 77.01 16.36 8.47 76.15 18.04 7.42 77.54 18.30 8.31 78.77 3 0 1000.00-999 ?-999 ?-999 ? mLEU^B 5 15.69 6.82 77.54 16.07 6.12 78.15 13.57 7.78 78.32 13.59 7.43 79.49 14.26 6.94 77.26 13.61 5.56 77.27 3 0 1000.00-999 ?-999 ?-999 ? mLEU^B 6 12.97 8.90 77.91 13.10 9.10 76.94 10.70 9.58 78.63 10.20 9.78 77.51 12.20 9.73 78.83 12.55 11.21 78.67 3 0 1000.00-999 ?-999 ?-999 ? mASN^B 7 10.01 9.26 79.71 10.57 9.11 80.52 7.98 10.10 80.79 8.28 10.01 81.99 8.57 9.15 79.74 8.19 7.70 80.06 2 0 1000.00-999 ?-999 ?-999 ? mILE^B 8 7.15 11.04 80.34 7.03 11.03 79.34 4.98 11.76 81.07 4.44 11.86 79.96 6.49 11.98 81.23 6.86 13.45 80.87 3 0 1000.00-999 ?-999 ?-999 ? mHIS^B 9 4.29 11.43 82.16 4.84 11.31 82.99 2.17 11.86 83.33 2.58 11.59 84.46 2.84 11.27 82.10 2.47 9.80 81.94 3 0 1000.00-999 ?-999 ?-999 ? mGLY^B 10 1.18 12.71 83.09 1.02 12.89 82.12 -0.86 12.50 84.30 -1.56 12.27 83.31 0.41 13.31 84.15-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mTHR^B 11 -1.13 12.05 85.52 -0.42 12.26 86.19 -2.92 11.89 87.21 -2.33 11.66 88.28 -2.36 11.31 85.87 -2.07 9.80 86.05 2 0 1000.00-999 ?-999 ?-999 ? mGLY.B 12 -4.05 12.61 87.14 -4.42 12.67 86.21 -3.82 14.31 88.97 -3.53 15.33 88.36 -4.67 13.23 88.31-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mASP.B 13 -3.43 14.06 90.21 -3.81 13.21 90.56 -1.07 14.82 90.66 -0.25 15.62 91.15 -2.54 14.92 91.01 -2.54 14.39 92.44 2 0 1000.00-999 ?-999 ?-999 ? mTHR^B 14 -0.71 13.81 89.89 -1.44 13.45 89.30 1.25 13.30 88.53 0.59 12.98 87.55 0.63 13.29 89.93 0.60 11.85 90.54 2 0 1000.00-999 ?-999 ?-999 ? mVAL^B 15 2.51 13.71 88.45 2.86 14.08 89.31 4.46 12.68 87.50 5.15 12.82 88.51 3.31 13.63 87.22 3.85 15.02 86.76 3 0 1000.00-999 ?-999 ?-999 ? mVAL^B 16 4.64 11.69 86.62 3.95 11.65 85.90 6.73 11.07 85.58 6.34 11.12 84.41 5.74 10.75 86.71 5.29 9.25 86.62 3 0 1000.00-999 ?-999 ?-999 ? mLEU^B 17 8.00 11.27 85.95 8.14 11.27 86.94 9.91 10.24 85.11 10.60 10.05 86.13 9.07 11.47 84.99 9.90 12.72 85.36 3 0 1000.00-999 ?-999 ?-999 ? mALA^B 18 9.84 9.37 84.10 9.27 9.68 83.34 11.64 7.99 83.06 11.39 8.30 81.87 10.55 8.08 84.14 9.57 6.92 84.00 2 0 1000.00-999 ?-999 ?-999 ? mLEU^B 19 12.83 7.57 83.48 12.84 7.36 84.46 14.62 6.06 82.73 14.81 5.53 83.83 13.99 7.41 82.62 15.06 8.43 82.94 3 0 1000.00-999 ?-999 ?-999 ? mCYH^B 20 14.95 5.52 81.57 14.76 6.10 80.78 16.62 4.30 80.38 16.37 4.84 79.28 15.55 4.20 81.46 14.48 3.18 81.08 2 0 1000.00-999 ?-999 ?-999 ? mASP^B 21 17.81 3.82 80.70 17.93 3.59 81.67 18.25 2.83 78.56 17.67 1.76 78.79 18.85 3.65 79.70 20.03 2.89 80.31 2 0 1000.00-999 ?-999 ?-999 ? mGLU.B 22 18.37 3.34 77.34 18.90 4.19 77.30 18.14 1.22 76.03 17.26 0.38 75.78 17.77 2.69 76.15 18.13 3.46 74.87 2 0 1000.00-999 ?-999 ?-999 ? mASP~B 23 19.41 0.88 76.27 20.00 1.66 76.51 19.41 -1.49 77.27 19.59 -2.71 77.13 19.89 -0.51 76.19 21.41 -0.57 76.11 2 0 1000.00-999 ?-999 ?-999 ? mLEU~B 24 18.82 -0.98 78.34 18.82 0.02 78.38 16.86 -2.35 78.97 16.42 -3.36 79.51 18.23 -1.82 79.37 18.09 -1.05 80.68 3 0 1000.00-999 ?-999 ?-999 ? mLEU~B 25 16.18 -1.66 78.05 16.70 -0.92 77.62 14.68 -3.45 77.21 15.43 -3.86 76.30 14.78 -2.01 77.72 14.12 -0.99 76.76 3 0 1000.00-999 ?-999 ?-999 ? mGLY.B 26 13.80 -4.22 77.84 13.30 -3.77 78.57 14.33 -6.61 78.38 13.81 -7.70 78.65 13.61 -5.62 77.47-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mVAL.B 27 15.51 -6.21 78.86 15.76 -5.29 78.57 15.68 -7.52 80.99 14.73 -6.89 81.48 16.37 -7.04 79.71 17.69 -6.28 80.08 3 0 1000.00-999 ?-999 ?-999 ? mGLU^B 28 16.13 -8.66 81.51 16.77 -9.15 80.92 16.90 -8.97 83.77 18.00 -9.47 83.49 15.72 -9.12 82.83 15.23 -10.56 82.79 2 0 1000.00-999 ?-999 ?-999 ? mLEU^B 29 16.67 -8.26 84.86 15.74 -7.88 84.90 17.38 -8.92 87.11 16.22 -9.12 87.48 17.67 -8.05 85.89 17.70 -6.57 86.29 3 0 1000.00-999 ?-999 ?-999 ? mLYS^B 30 18.44 -9.45 87.71 19.29 -9.33 87.19 19.61 -9.73 89.82 20.74 -9.70 89.30 18.38 -10.14 89.00 18.33 -11.66 88.81 2 0 1000.00-999 ?-999 ?-999 ? mTYR^B 31 19.37 -9.40 91.09 18.40 -9.45 91.34 19.85 -8.85 93.44 18.89 -8.10 93.65 20.43 -9.00 92.03 21.09 -7.70 91.58 3 0 1000.00-999 ?-999 ?-999 ? mLYS.B 32 20.44 -9.59 94.39 21.21 -10.13 94.05 18.48 -9.81 95.92 17.76 -8.95 96.46 20.00 -9.59 95.78 20.45 -8.32 96.52 2 0 1000.00-999 ?-999 ?-999 ? mGLY.B 33 18.02 -10.95 95.42 18.71 -11.48 94.92 15.60 -10.58 94.84 14.40 -10.76 95.06 16.63 -11.39 95.59-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mARG^B 34 16.06 -9.71 93.94 17.05 -9.65 93.90 15.19 -9.26 91.63 16.24 -9.15 90.97 15.15 -8.90 93.12 15.37 -7.40 93.34 2 0 1000.00-999 ?-999 ?-999 ? mTHR^B 35 14.04 -9.72 91.14 13.35 -9.85 91.85 13.03 -8.81 89.11 12.03 -8.35 89.68 13.78 -10.01 89.73 12.90 -11.26 89.57 2 0 1000.00-999 ?-999 ?-999 ? mLEU^B 36 13.52 -8.32 87.97 14.31 -8.83 87.62 12.99 -7.28 85.79 14.06 -7.43 85.21 12.94 -7.15 87.32 13.66 -5.87 87.79 3 0 1000.00-999 ?-999 ?-999 ? mHIS^B 37 11.81 -7.23 85.16 11.03 -7.17 85.79 11.51 -5.82 83.20 10.64 -5.09 83.69 11.69 -7.26 83.69 10.49 -8.11 83.26 3 0 1000.00-999 ?-999 ?-999 ? mILE.B 38 12.36 -5.41 82.25 12.97 -6.12 81.91 11.36 -3.88 80.63 11.72 -3.87 79.46 12.37 -4.01 81.78 13.81 -3.50 81.38 3 0 1000.00-999 ?-999 ?-999 ? mSER~B 39 10.07 -3.79 81.00 9.95 -3.63 81.98 8.63 -2.63 79.34 8.69 -1.55 79.93 8.96 -3.92 80.06 7.69 -4.45 80.76 2 0 1000.00-999 ?-999 ?-999 ? mGLU~B 40 8.25 -2.77 78.07 8.30 -3.72 77.75 6.74 -0.79 77.88 6.91 0.44 77.91 7.81 -1.67 77.23 7.33 -2.18 75.87 2 0 1000.00-999 ?-999 ?-999 ? mPRO~B 41 5.66 -1.40 78.46 5.63 -2.40 78.48 5.15 0.35 80.14 4.74 1.48 80.25 4.62 -0.52 79.01 3.55 -1.50 79.52 3 0 1000.00-999 ?-999 ?-999 ? mPHE~B 42 6.06 -0.16 80.96 6.31 -1.11 80.77 7.83 1.52 81.62 7.96 2.67 82.07 6.62 0.67 82.03 6.87 -0.18 83.31 3 0 1000.00-999 ?-999 ?-999 ? mTYR~B 43 8.69 1.00 80.74 8.35 0.18 80.27 10.19 2.45 79.23 11.11 3.26 79.14 10.01 1.63 80.52 11.16 0.63 80.77 3 0 1000.00-999 ?-999 ?-999 ? mSER~B 44 9.28 2.28 78.27 8.58 1.59 78.49 9.33 4.54 77.20 8.90 5.07 78.21 9.32 3.03 77.03 8.14 2.62 76.16 2 0 1000.00-999 ?-999 ?-999 ? mGLY.B 45 9.83 5.25 76.20 10.26 4.71 75.48 10.46 7.18 74.96 10.90 6.39 74.13 9.74 6.68 76.18-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mLYS^B 46 10.58 8.50 74.87 10.08 9.00 75.58 12.87 9.02 74.08 13.40 9.41 75.12 11.35 9.16 73.85 10.98 10.63 73.77 2 0 1000.00-999 ?-999 ?-999 ? mSER^B 47 13.54 8.44 73.09 12.94 8.14 72.35 15.61 9.63 72.83 15.36 10.30 71.80 14.99 8.26 73.05 15.32 7.28 71.91 2 0 1000.00-999 ?-999 ?-999 ? mMET^B 48 16.34 10.09 73.84 16.31 9.55 74.68 18.55 11.16 74.24 18.92 10.17 74.89 17.12 11.30 73.70 16.41 12.54 74.27 2 0 1000.00-999 ?-999 ?-999 ? mGLU~B 49 19.36 12.14 73.88 19.00 12.74 73.16 20.50 12.81 75.92 19.57 13.57 76.21 20.66 12.32 74.49 21.50 13.33 73.72 2 0 1000.00-999 ?-999 ?-999 ? mPRO~B 50 21.41 12.37 76.81 22.00 11.66 76.43 21.33 14.33 78.42 20.44 14.69 79.16 21.56 12.84 78.20 23.01 12.45 78.53 3 0 1000.00-999 ?-999 ?-999 ? mASP~B 51 22.12 15.20 77.77 22.79 14.77 77.17 20.52 17.07 77.70 19.92 17.78 78.50 21.98 16.65 77.96 22.91 17.46 77.01 2 0 1000.00-999 ?-999 ?-999 ? mARG~B 52 19.97 16.60 76.58 20.59 16.04 76.02 17.57 16.33 77.18 16.59 16.99 77.46 18.59 16.88 76.19 18.28 16.41 74.74 2 0 1000.00-999 ?-999 ?-999 ? mALA~B 53 17.77 15.14 77.73 18.57 14.64 77.38 16.90 15.48 80.07 15.86 15.75 80.69 16.85 14.65 78.78 17.06 13.16 79.07 2 0 1000.00-999 ?-999 ?-999 ? mALA~B 54 18.10 15.90 80.46 18.85 15.65 79.85 17.57 18.03 81.60 16.99 18.49 82.57 18.26 16.68 81.69 19.76 16.84 82.05 2 0 1000.00-999 ?-999 ?-999 ? mLYS~B 55 17.66 18.66 80.42 18.28 18.21 79.78 15.43 19.71 80.29 14.79 20.45 81.02 16.92 19.90 80.10 17.13 20.29 78.63 2 0 1000.00-999 ?-999 ?-999 ? mLYS~B 56 14.89 18.70 79.60 15.54 18.16 79.08 12.94 18.10 81.03 11.88 18.53 81.42 13.44 18.47 79.65 12.99 17.48 78.56 2 0 1000.00-999 ?-999 ?-999 ? mILE~B 57 13.74 17.34 81.78 14.57 17.06 81.30 13.41 18.18 84.11 12.55 18.28 85.00 13.42 16.97 83.15 14.39 15.84 83.64 3 0 1000.00-999 ?-999 ?-999 ? mARG~B 58 14.36 19.09 83.93 15.03 18.84 83.24 13.16 21.16 84.41 12.52 21.70 85.32 14.40 20.34 84.70 15.62 21.19 84.33 2 0 1000.00-999 ?-999 ?-999 ? mGLU~B 59 12.83 21.24 83.12 13.46 20.75 82.51 10.35 21.42 83.20 9.49 22.19 83.59 11.67 21.96 82.65 11.66 22.02 81.12 2 0 1000.00-999 ?-999 ?-999 ? mALA~B 60 10.21 20.09 83.24 11.00 19.59 82.90 8.78 19.75 85.24 7.66 20.01 85.68 8.98 19.47 83.76 8.97 17.97 83.49 2 0 1000.00-999 ?-999 ?-999 ? mVAL~B 61 9.87 19.68 86.01 10.69 19.43 85.51 9.42 21.38 87.77 8.56 21.60 88.60 9.83 19.94 87.46 11.18 19.59 88.14 3 0 1000.00-999 ?-999 ?-999 ? mGLN~B 62 10.03 22.35 87.08 10.70 22.02 86.42 8.26 24.06 86.95 7.58 24.85 87.64 9.72 23.76 87.30 10.67 24.67 86.52 2 0 1000.00-999 ?-999 ?-999 ? mGLU~B 63 7.77 23.42 85.90 8.42 22.81 85.45 5.41 22.98 86.40 4.30 23.47 86.54 6.40 23.60 85.45 6.20 22.98 84.07 2 0 1000.00-999 ?-999 ?-999 ? mTYR~B 64 5.79 21.89 87.07 6.76 21.67 87.01 4.83 21.20 89.31 3.79 21.06 89.95 4.79 21.12 87.81 4.78 19.65 87.36 3 0 1000.00-999 ?-999 ?-999 ? mGLU~B 65 6.00 21.46 89.87 6.68 21.85 89.24 5.31 21.89 92.26 5.14 21.45 93.40 6.25 21.19 91.28 7.74 21.38 91.66 2 0 1000.00-999 ?-999 ?-999 ? mASP.B 66 4.67 22.96 91.79 4.88 23.19 90.84 2.30 23.22 92.54 1.52 23.44 93.48 3.75 23.71 92.63 3.86 25.21 92.35 2 0 1000.00-999 ?-999 ?-999 ? mGLU.B 67 1.93 22.55 91.45 2.68 22.39 90.80 0.39 20.60 91.43 -0.65 20.15 91.88 0.54 22.09 91.23 0.03 22.48 89.84 2 0 1000.00-999 ?-999 ?-999 ? mLYS.B 68 1.44 19.83 91.10 2.26 20.34 90.87 2.44 17.72 91.92 3.54 18.28 92.07 1.35 18.37 91.09 1.47 17.84 89.66 2 0 1000.00-999 ?-999 ?-999 ? mTHR^B 69 2.15 16.51 92.42 1.18 16.27 92.38 4.05 15.24 91.80 3.52 14.92 90.74 3.18 15.64 92.97 2.57 14.38 93.61 2 0 1000.00-999 ?-999 ?-999 ? mVAL^B 70 5.36 15.30 91.97 5.64 15.66 92.86 7.05 13.62 91.41 7.69 13.64 92.46 6.29 14.87 90.93 7.28 16.01 90.52 3 0 1000.00-999 ?-999 ?-999 ? mALA^B 71 6.91 12.52 90.68 6.25 12.59 89.93 8.74 11.18 89.89 8.44 11.27 88.69 7.66 11.32 90.97 6.75 10.09 91.00 2 0 1000.00-999 ?-999 ?-999 ? mILE^B 72 9.99 11.01 90.32 10.11 11.06 91.31 11.56 9.35 89.59 11.92 8.96 90.72 11.09 10.77 89.38 12.27 11.74 89.60 3 0 1000.00-999 ?-999 ?-999 ? mASN^B 73 11.53 8.56 88.53 11.13 8.97 87.70 13.14 7.17 87.53 12.99 7.73 86.44 12.04 7.22 88.58 10.97 6.18 88.24 2 0 1000.00-999 ?-999 ?-999 ? mALA^B 74 14.25 6.51 87.86 14.24 6.08 88.76 16.08 5.12 87.13 16.37 4.71 88.25 15.37 6.44 86.94 16.31 7.64 87.11 2 0 1000.00-999 ?-999 ?-999 ? mLEU^B 75 16.24 4.41 86.00 15.87 4.86 85.19 18.00 3.11 84.91 17.77 3.34 83.71 16.87 3.12 85.94 15.87 2.01 85.63 3 0 1000.00-999 ?-999 ?-999 ? mGLY~B 76 19.22 2.85 85.38 19.27 2.69 86.37 21.38 3.87 84.85 21.04 4.85 85.51 20.38 2.81 84.48-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mGLU~B 77 22.62 3.66 84.42 22.71 2.87 83.82 23.60 5.83 84.10 23.73 6.90 84.70 23.75 4.51 84.80 25.06 3.80 84.40 2 0 1000.00-999 ?-999 ?-999 ? mLEU~B 78 23.30 5.77 82.81 23.27 4.84 82.43 21.78 7.74 82.56 21.82 8.96 82.73 23.03 6.99 82.05 22.92 6.64 80.56 3 0 1000.00-999 ?-999 ?-999 ? mALA~B 79 20.70 7.03 82.85 20.80 6.05 82.66 19.77 8.33 84.74 19.34 9.44 85.00 19.49 7.67 83.40 18.35 6.67 83.53 2 0 1000.00-999 ?-999 ?-999 ? mCYH~B 80 20.52 7.65 85.61 20.83 6.75 85.32 21.78 9.45 86.84 21.66 10.35 87.68 20.81 8.28 86.89 21.22 7.26 87.93 2 0 1000.00-999 ?-999 ?-999 ? mSER~B 81 22.71 9.48 85.87 22.80 8.64 85.34 22.69 11.87 85.13 23.03 13.01 85.37 23.51 10.72 85.64 24.73 10.51 84.72 2 0 1000.00-999 ?-999 ?-999 ? mVAL~B 82 21.60 11.59 84.43 21.44 10.62 84.27 20.01 13.34 85.13 19.85 14.57 85.18 20.72 12.66 83.96 19.66 12.10 82.94 3 0 1000.00-999 ?-999 ?-999 ? mVAL~B 83 19.54 12.53 86.08 19.70 11.55 85.91 19.87 13.90 88.06 19.54 15.01 88.49 18.87 13.05 87.25 18.26 11.91 88.11 3 0 1000.00-999 ?-999 ?-999 ? mVAL~B 84 21.10 13.40 88.20 21.19 12.46 87.86 22.47 15.45 88.02 22.51 16.54 88.59 22.19 14.18 88.81 23.50 13.35 88.96 3 0 1000.00-999 ?-999 ?-999 ? mASP~B 85 22.59 15.35 86.70 22.50 14.43 86.32 21.70 17.59 85.95 21.93 18.80 85.78 22.85 16.58 85.92 23.30 16.25 84.50 2 0 1000.00-999 ?-999 ?-999 ? mALA~B 86 20.48 17.11 86.17 20.44 16.11 86.24 19.29 18.67 87.65 18.46 19.55 87.89 19.32 17.99 86.29 18.01 17.21 86.04 2 0 1000.00-999 ?-999 ?-999 ? mGLY.B 87 20.18 18.25 88.55 20.78 17.52 88.22 19.23 18.26 90.84 18.91 18.88 91.84 20.28 18.82 89.89-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mLEU.B 88 18.73 17.07 90.55 19.18 16.59 89.80 18.04 15.58 92.38 17.29 15.34 93.33 17.60 16.52 91.27 16.66 15.79 90.31 3 0 1000.00-999 ?-999 ?-999 ? mALA.B 89 19.24 15.04 92.24 19.72 15.30 91.40 21.32 14.38 93.28 21.86 15.09 92.43 19.81 14.15 93.24 19.49 12.70 92.90 2 0 1000.00-999 ?-999 ?-999 ? mARG.B 90 21.98 13.78 94.27 21.40 13.34 94.95 23.94 12.40 94.00 23.24 11.42 94.24 23.45 13.78 94.34 23.93 14.16 95.73 2 0 1000.00-999 ?-999 ?-999 ? mGLU.B 91 25.16 12.30 93.45 25.63 13.18 93.37 25.71 9.96 94.13 25.72 8.75 93.85 25.70 11.00 93.02 27.10 11.15 92.38 2 0 1000.00-999 ?-999 ?-999 ? mASP.B 92 25.69 10.41 95.38 25.64 11.41 95.46 24.36 9.05 97.02 24.27 8.15 97.85 25.74 9.49 96.53 26.57 10.07 97.70 2 0 1000.00-999 ?-999 ?-999 ? mGLU.B 93 23.30 9.70 96.55 23.52 10.48 95.96 21.28 8.41 95.81 20.08 8.10 95.89 21.95 9.27 96.89 21.07 10.45 97.35 2 0 1000.00-999 ?-999 ?-999 ? mILE.B 94 22.08 8.03 94.81 22.97 8.48 94.82 21.79 5.67 94.42 22.81 5.30 95.00 21.70 7.07 93.79 22.62 7.14 92.50 3 0 1000.00-999 ?-999 ?-999 ? mGLY^B 95 20.72 4.90 94.29 19.94 5.33 93.85 21.00 2.57 93.64 21.58 2.95 92.63 20.72 3.53 94.78-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mGLU^B 96 20.59 1.33 93.85 20.17 1.18 94.74 19.47 -0.56 92.90 18.75 -0.58 93.90 20.72 0.28 92.86 21.95 -0.60 93.15 2 0 1000.00-999 ?-999 ?-999 ? mLEU^B 97 19.22 -1.25 91.79 19.85 -1.02 91.05 18.63 -3.12 90.52 19.14 -2.63 89.51 18.14 -2.21 91.63 16.84 -1.51 91.21 3 0 1000.00-999 ?-999 ?-999 ? mGLY.B 98 18.53 -4.43 90.71 18.08 -4.67 91.58 20.53 -5.38 89.44 20.99 -5.96 88.44 19.03 -5.43 89.75-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mGLY.B 99 21.30 -4.70 90.29 20.83 -4.33 91.09 22.98 -3.37 89.09 24.04 -3.26 88.48 22.73 -4.52 90.03-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mVAL^B 100 22.00 -2.47 88.99 21.24 -2.64 89.63 21.62 -0.14 88.85 20.77 -0.26 89.72 22.01 -1.37 88.05 20.99 -1.67 86.92 3 0 1000.00-999 ?-999 ?-999 ? mPRO^B 101 22.23 1.04 88.58 22.91 1.03 87.85 20.35 2.56 89.25 19.73 2.31 88.21 21.85 2.23 89.36 22.71 3.36 88.76 3 0 1000.00-999 ?-999 ?-999 ? mHIS^B 102 19.78 3.11 90.33 20.42 3.33 91.07 18.03 4.51 91.32 18.64 4.67 92.38 18.35 3.36 90.39 17.57 2.08 90.77 3 0 1000.00-999 ?-999 ?-999 ? mVAL^B 103 17.09 5.33 90.91 16.72 5.16 90.00 15.14 6.51 91.69 14.55 6.39 90.62 16.66 6.37 91.77 17.45 7.68 91.51 3 0 1000.00-999 ?-999 ?-999 ? mGLN^B 104 14.53 6.69 92.85 15.16 6.77 93.62 12.82 7.85 94.05 13.05 7.62 95.25 13.09 6.78 92.99 12.50 5.43 93.38 2 0 1000.00-999 ?-999 ?-999 ? mMET^B 105 12.31 8.98 93.58 11.99 8.90 92.63 10.81 10.82 94.15 10.19 10.65 93.09 12.20 10.23 94.33 13.08 11.28 93.67 2 0 1000.00-999 ?-999 ?-999 ? mTYR^B 106 10.39 11.59 95.15 10.98 11.54 95.96 9.47 13.88 95.37 10.33 14.24 96.19 9.20 12.42 95.09 8.13 11.89 96.06 3 0 1000.00-999 ?-999 ?-999 ? mILE^B 107 8.74 14.73 94.67 8.29 14.34 93.87 7.18 16.33 95.47 6.27 16.43 94.62 8.63 16.13 95.06 9.11 17.09 93.96 3 0 1000.00-999 ?-999 ?-999 ? mLEU.B 108 6.96 16.31 96.78 7.79 16.24 97.34 5.26 17.84 97.60 6.11 18.64 98.00 5.63 16.39 97.34 5.50 15.53 98.60 3 0 1000.00-999 ?-999 ?-999 ? mPRO.B 109 3.99 18.20 97.32 3.39 17.45 97.05 3.24 20.08 98.83 2.68 19.34 99.65 3.57 19.58 97.42 2.31 19.61 96.56 3 0 1000.00-999 ?-999 ?-999 ? mARG.B 110 3.56 21.35 99.06 4.04 21.77 98.29 1.86 22.63 100.30 1.33 22.99 99.26 3.26 22.08 100.28 4.21 23.27 100.39 2 0 1000.00-999 ?-999 ?-999 ? mGLU.B 111 1.25 22.70 101.48 1.70 22.15 102.19 0.26 24.86 101.01 1.40 25.34 100.88 0.06 23.50 101.72 -0.10 23.71 103.23 2 0 1000.00-999 ?-999 ?-999 ? mPRO.B 112 -0.82 25.49 100.51 -1.71 25.06 100.62 -0.52 27.98 100.78 -1.23 28.00 101.79 -0.52 26.76 99.83 -1.64 26.87 98.79 3 0 1000.00-999 ?-999 ?-999 ? mPHE.B 113 0.30 28.96 100.44 0.80 28.77 99.60 -0.42 31.31 100.64 -0.08 31.95 99.66 0.47 30.18 101.21 1.96 30.55 101.19 3 0 1000.00-999 ?-999 ?-999 ? mLEU.B 114 -1.58 31.54 101.27 -1.71 30.96 102.07 -1.97 33.95 100.66 -2.32 34.68 99.72 -2.55 32.54 100.82 -3.75 32.59 101.78 3 0 1000.00-999 ?-999 ?-999 ? mGLU.B 115 -1.09 34.34 101.59 -0.95 33.70 102.34 0.82 35.46 100.57 1.68 36.32 100.57 -0.40 35.61 101.48 -0.02 36.13 102.87 2 0 1000.00-999 ?-999 ?-999 ? mGLY.B 116 0.90 34.37 99.80 0.06 33.83 99.78 2.24 34.54 97.64 1.58 35.51 97.30 2.13 34.02 99.07-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mALA.C 2 20.09 7.48 61.04 19.97 8.45 60.84 19.07 5.40 62.08 18.96 4.18 62.15 20.27 6.01 61.35 21.55 5.78 62.14 2 0 1000.00-999 ?-999 ?-999 ? mARG.C 3 18.20 6.23 62.62 18.40 7.19 62.43 15.70 6.24 62.78 15.58 7.37 62.33 17.04 5.77 63.40 17.09 6.33 64.85 2 0 1000.00-999 ?-999 ?-999 ? mVAL^C 4 14.69 5.37 62.85 14.95 4.46 63.15 12.40 5.66 63.72 12.46 4.70 64.50 13.31 5.76 62.50 12.72 4.89 61.33 3 0 1000.00-999 ?-999 ?-999 ? mLEU^C 5 11.55 6.66 63.88 11.72 7.43 63.27 9.33 5.76 64.35 8.78 6.03 63.27 10.46 6.60 64.87 9.97 8.01 65.19 3 0 1000.00-999 ?-999 ?-999 ? mLEU^C 6 8.99 4.71 65.10 9.62 4.51 65.85 6.73 4.10 65.89 6.96 3.79 67.07 7.79 3.94 64.81 8.10 2.47 64.58 3 0 1000.00-999 ?-999 ?-999 ? mASN^C 7 5.56 4.56 65.44 5.57 4.79 64.47 3.29 3.81 65.79 2.82 3.95 64.65 4.40 4.71 66.29 3.94 6.17 66.31 2 0 1000.00-999 ?-999 ?-999 ? mILE^C 8 2.88 2.87 66.64 3.42 2.83 67.48 0.63 2.29 67.33 0.81 2.21 68.57 1.76 1.99 66.36 2.16 0.52 66.46 3 0 1000.00-999 ?-999 ?-999 ? mHIS^C 9 -0.54 2.64 66.79 -0.54 2.74 65.80 -2.98 2.32 67.05 -3.29 2.61 65.89 -1.69 2.85 67.64 -1.85 4.31 68.01 3 0 1000.00-999 ?-999 ?-999 ? mGLY^C 10 -3.74 1.57 67.86 -3.29 1.34 68.72 -6.23 1.97 68.13 -6.20 2.29 69.33 -5.10 1.12 67.53-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mTHR^C 11 -7.21 2.34 67.29 -7.05 2.02 66.35 -9.63 2.55 66.95 -9.76 2.67 65.72 -8.39 3.13 67.68 -8.22 4.65 67.28 2 0 1000.00-999 ?-999 ?-999 ? mGLY.C 12 -10.53 1.92 67.69 -10.34 1.91 68.67 -11.35 0.22 66.07 -10.72 -0.77 66.43 -11.71 1.30 67.06-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mASP.C 13 -11.72 0.43 64.81 -12.20 1.31 64.71 -10.10 -0.43 63.06 -9.82 -1.23 62.17 -11.48 -0.49 63.67 -12.35 -0.08 62.49 2 0 1000.00-999 ?-999 ?-999 ? mTHR^C 14 -9.31 0.56 63.44 -9.58 0.98 64.31 -6.85 0.91 63.47 -6.82 1.27 64.66 -8.16 0.99 62.67 -8.37 2.45 62.19 2 0 1000.00-999 ?-999 ?-999 ? mVAL^C 15 -5.78 0.46 62.82 -6.00 0.09 61.92 -3.59 1.40 62.50 -3.51 1.21 61.28 -4.43 0.49 63.40 -3.78 -0.91 63.44 3 0 1000.00-999 ?-999 ?-999 ? mVAL^C 16 -2.98 2.41 63.08 -3.17 2.52 64.05 -0.64 2.95 62.65 -0.22 3.00 63.83 -2.10 3.28 62.31 -2.37 4.78 62.55 3 0 1000.00-999 ?-999 ?-999 ? mLEU^C 17 0.10 2.63 61.60 -0.41 2.53 60.74 2.18 3.66 61.03 2.10 3.84 59.79 1.53 2.45 61.69 1.97 1.12 61.05 3 0 1000.00-999 ?-999 ?-999 ? mALA^C 18 2.78 4.50 61.88 2.73 4.21 62.83 4.94 5.69 61.71 5.41 5.27 62.79 3.43 5.72 61.45 2.80 6.94 62.09 2 0 1000.00-999 ?-999 ?-999 ? mLEU^C 19 5.68 6.13 60.71 5.15 6.48 59.94 7.59 7.46 60.24 7.01 8.06 59.33 7.12 6.13 60.70 7.65 5.13 59.72 3 0 1000.00-999 ?-999 ?-999 ? mCYH^C 20 8.68 7.89 60.84 9.05 7.25 61.52 10.79 9.02 60.86 11.19 8.47 61.91 9.29 9.16 60.56 8.67 10.19 61.47 2 0 1000.00-999 ?-999 ?-999 ? mASP^C 21 11.63 9.49 59.92 11.19 9.72 59.05 13.26 10.44 61.45 12.67 11.51 61.60 13.07 9.63 60.17 13.77 10.33 59.00 2 0 1000.00-999 ?-999 ?-999 ? mGLU.C 22 14.06 9.93 62.38 14.50 9.08 62.11 14.77 12.02 63.49 14.33 12.96 64.17 14.23 10.60 63.67 15.13 9.77 64.61 2 0 1000.00-999 ?-999 ?-999 ? mASP~C 23 15.67 12.18 62.51 15.88 11.32 62.04 15.30 14.56 61.64 15.68 15.73 61.54 16.27 13.48 62.17 17.41 13.28 61.15 2 0 1000.00-999 ?-999 ?-999 ? mLEU~C 24 14.08 14.16 61.29 13.92 13.18 61.41 12.22 15.79 61.86 11.59 16.81 61.60 13.06 15.10 60.78 12.14 14.40 59.77 3 0 1000.00-999 ?-999 ?-999 ? mLEU~C 25 12.21 15.25 63.08 12.93 14.58 63.24 11.34 17.08 64.54 12.46 17.56 64.80 11.20 15.63 64.07 11.16 14.63 65.25 3 0 1000.00-999 ?-999 ?-999 ? mGLY.C 26 10.20 17.77 64.61 9.39 17.22 64.40 10.25 20.15 63.80 9.84 21.31 63.90 10.14 19.19 64.98-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mVAL.C 27 10.78 19.65 62.68 10.88 18.66 62.70 9.99 21.15 60.80 8.88 20.63 60.80 11.17 20.48 61.54 12.10 19.71 60.58 3 0 1000.00-999 ?-999 ?-999 ? mGLU^C 28 10.26 22.32 60.22 11.20 22.63 60.37 9.56 22.87 57.94 10.57 23.35 57.41 9.29 23.10 59.44 9.41 24.60 59.79 2 0 1000.00-999 ?-999 ?-999 ? mLEU^C 29 8.69 22.11 57.28 7.93 21.78 57.84 7.95 22.64 54.91 6.75 22.78 55.14 8.85 21.80 55.84 8.63 20.31 55.58 3 0 1000.00-999 ?-999 ?-999 ? mLYS^C 30 8.55 23.18 53.85 9.53 22.95 53.78 8.29 23.65 51.46 9.48 23.66 51.14 7.85 24.02 52.87 8.13 25.51 53.12 2 0 1000.00-999 ?-999 ?-999 ? mTYR^C 31 7.32 23.34 50.61 6.40 23.47 50.99 6.30 22.86 48.42 5.28 22.28 48.82 7.58 22.87 49.26 8.17 21.45 49.31 3 0 1000.00-999 ?-999 ?-999 ? mLYS.C 32 6.36 23.52 47.26 7.27 23.90 47.08 3.92 24.10 47.06 2.87 23.48 46.87 5.22 23.67 46.35 5.04 22.41 45.50 2 0 1000.00-999 ?-999 ?-999 ? mGLY.C 33 4.02 25.14 47.88 4.96 25.43 48.06 2.21 25.19 49.71 1.18 25.69 50.17 2.85 25.79 48.46-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mARG^C 34 2.79 24.13 50.25 3.56 23.77 49.72 3.35 23.64 52.65 4.52 23.26 52.47 2.32 23.56 51.52 1.85 22.11 51.37 2 0 1000.00-999 ?-999 ?-999 ? mTHR^C 35 2.90 24.14 53.79 1.98 24.52 53.75 3.31 22.90 55.82 2.14 22.73 56.17 3.71 24.13 55.01 3.49 25.38 55.89 2 0 1000.00-999 ?-999 ?-999 ? mLEU^C 36 4.29 22.04 56.10 5.18 22.28 55.72 4.78 20.95 58.24 5.95 21.34 58.29 4.05 20.84 56.91 4.49 19.56 56.18 3 0 1000.00-999 ?-999 ?-999 ? mHIS^C 37 4.07 20.59 59.30 3.15 20.24 59.08 4.90 19.33 61.23 3.98 18.59 61.59 4.59 20.71 60.65 3.63 21.51 61.54 3 0 1000.00-999 ?-999 ?-999 ? mILE.C 38 6.20 19.00 61.29 6.81 19.68 60.90 6.55 17.77 63.41 7.55 17.64 64.13 6.65 17.72 61.88 8.07 17.28 61.39 3 0 1000.00-999 ?-999 ?-999 ? mSER~C 39 5.31 17.98 63.87 4.64 18.07 63.14 5.09 16.70 65.95 4.87 15.67 65.32 4.95 18.06 65.29 3.51 18.56 65.43 2 0 1000.00-999 ?-999 ?-999 ? mGLU~C 40 5.44 16.67 67.22 5.57 17.56 67.67 4.38 14.66 68.44 4.47 13.47 68.74 5.61 15.37 67.85 6.81 15.32 68.78 2 0 1000.00-999 ?-999 ?-999 ? mPRO~C 41 3.23 15.37 68.58 3.25 16.37 68.50 1.81 13.56 67.69 1.59 12.38 67.92 2.06 14.54 68.86 0.92 15.55 68.97 3 0 1000.00-999 ?-999 ?-999 ? mPHE~C 42 1.91 14.05 66.46 2.14 15.02 66.41 2.90 12.36 64.92 2.73 11.20 64.54 1.70 13.22 65.30 1.25 14.06 64.11 3 0 1000.00-999 ?-999 ?-999 ? mTYR~C 43 4.10 12.92 65.04 4.10 13.81 65.48 6.21 11.56 65.61 7.19 10.91 65.26 5.31 12.25 64.54 6.10 13.19 63.61 3 0 1000.00-999 ?-999 ?-999 ? mSER~C 44 5.87 11.69 66.88 5.12 12.33 67.04 6.52 9.43 67.64 5.80 8.99 66.75 6.55 10.92 67.95 5.95 11.21 69.33 2 0 1000.00-999 ?-999 ?-999 ? mGLY.C 45 7.33 8.66 68.36 7.85 9.15 69.06 8.62 6.63 68.91 9.45 7.36 69.45 7.46 7.22 68.13-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mLYS^C 46 8.68 5.31 68.96 7.87 4.85 68.61 11.00 4.58 68.46 10.82 4.18 67.31 9.84 4.60 69.48 9.45 3.19 69.87 2 0 1000.00-999 ?-999 ?-999 ? mSER^C 47 12.17 5.04 68.88 12.18 5.33 69.84 13.94 3.72 67.83 14.20 2.99 68.82 13.33 5.10 68.02 14.34 6.11 68.55 2 0 1000.00-999 ?-999 ?-999 ? mMET^C 48 14.07 3.31 66.57 13.76 3.97 65.88 15.45 1.97 64.95 15.37 2.89 64.13 14.65 1.99 66.25 13.63 0.84 66.39 2 0 1000.00-999 ?-999 ?-999 ? mGLU~C 49 16.25 0.92 64.81 16.25 0.32 65.61 16.03 0.20 62.55 15.05 -0.48 62.89 17.03 0.66 63.61 18.09 -0.41 63.92 2 0 1000.00-999 ?-999 ?-999 ? mPRO~C 50 16.23 0.64 61.28 17.09 1.13 61.15 14.91 -1.05 60.08 13.75 -1.40 59.93 15.29 0.42 60.17 16.10 0.83 58.94 3 0 1000.00-999 ?-999 ?-999 ? mASP~C 51 15.92 -1.89 60.21 16.81 -1.45 60.32 14.76 -3.86 61.20 13.99 -4.76 60.90 15.76 -3.32 60.19 17.11 -3.93 60.49 2 0 1000.00-999 ?-999 ?-999 ? mARG~C 52 14.78 -3.33 62.42 15.49 -2.63 62.55 12.44 -3.18 63.17 11.42 -3.83 63.43 13.85 -3.75 63.45 14.37 -3.32 64.82 2 0 1000.00-999 ?-999 ?-999 ? mALA~C 53 12.41 -1.96 62.64 13.32 -1.56 62.49 10.43 -2.08 61.22 9.23 -2.35 61.36 11.18 -1.28 62.30 11.46 0.16 61.85 2 0 1000.00-999 ?-999 ?-999 ? mALA~C 54 11.15 -2.49 60.17 12.11 -2.20 60.19 9.91 -4.58 59.63 8.81 -4.94 59.20 10.57 -3.31 59.10 11.60 -3.65 58.03 2 0 1000.00-999 ?-999 ?-999 ? mLYS~C 55 10.58 -5.25 60.58 11.45 -4.83 60.85 8.81 -6.27 62.03 7.86 -7.06 61.96 10.05 -6.48 61.15 11.11 -7.21 61.95 2 0 1000.00-999 ?-999 ?-999 ? mLYS~C 56 8.83 -5.23 62.87 9.72 -4.78 62.92 6.46 -4.42 62.74 5.32 -4.70 63.06 7.65 -4.81 63.64 8.02 -3.65 64.57 2 0 1000.00-999 ?-999 ?-999 ? mILE~C 57 6.75 -3.78 61.61 7.73 -3.59 61.51 5.11 -4.61 59.97 3.88 -4.73 59.94 5.74 -3.38 60.63 6.35 -2.37 59.61 3 0 1000.00-999 ?-999 ?-999 ? mARG~C 58 5.96 -5.53 59.47 6.92 -5.25 59.49 4.59 -7.56 59.92 3.50 -8.01 59.53 5.51 -6.82 58.94 6.69 -7.73 58.59 2 0 1000.00-999 ?-999 ?-999 ? mGLU~C 59 5.02 -7.66 61.17 5.89 -7.21 61.34 2.93 -7.76 62.58 2.00 -8.48 62.88 4.27 -8.37 62.20 5.12 -8.52 63.46 2 0 1000.00-999 ?-999 ?-999 ? mALA~C 60 2.85 -6.43 62.58 3.69 -5.96 62.32 0.59 -5.97 61.84 -0.57 -6.27 62.12 1.61 -5.76 62.94 1.84 -4.28 63.18 2 0 1000.00-999 ?-999 ?-999 ? mVAL~C 61 1.03 -5.84 60.58 1.98 -5.52 60.52 -0.35 -7.57 59.47 -1.57 -7.75 59.44 0.20 -6.13 59.42 0.95 -5.84 58.09 3 0 1000.00-999 ?-999 ?-999 ? mGLN~C 62 0.54 -8.56 59.59 1.49 -8.25 59.58 -0.93 -10.17 60.80 -1.88 -10.92 60.61 0.14 -9.97 59.71 1.31 -10.92 60.04 2 0 1000.00-999 ?-999 ?-999 ? mGLU~C 63 -0.76 -9.51 61.93 -0.01 -8.85 61.95 -2.94 -8.94 63.06 -3.91 -9.34 63.69 -1.66 -9.77 63.04 -0.92 -9.65 64.35 2 0 1000.00-999 ?-999 ?-999 ? mTYR~C 64 -2.96 -7.79 62.37 -2.12 -7.59 61.87 -4.97 -6.98 61.11 -6.11 -6.55 61.10 -4.16 -6.93 62.39 -3.82 -5.48 62.74 3 0 1000.00-999 ?-999 ?-999 ? mGLU~C 65 -4.38 -7.51 60.05 -3.46 -7.87 60.23 -6.36 -8.32 58.79 -7.28 -7.99 58.05 -5.01 -7.57 58.74 -4.07 -8.25 57.75 2 0 1000.00-999 ?-999 ?-999 ? mASP.C 66 -6.45 -9.32 59.66 -5.61 -9.51 60.17 -8.81 -9.16 60.39 -9.85 -9.03 59.74 -7.68 -10.06 59.85 -7.46 -11.30 60.74 2 0 1000.00-999 ?-999 ?-999 ? mGLU.C 67 -8.57 -8.51 61.54 -7.63 -8.57 61.86 -9.72 -6.26 62.00 -10.74 -5.64 62.36 -9.62 -7.77 62.26 -9.49 -7.98 63.79 2 0 1000.00-999 ?-999 ?-999 ? mLYS.C 68 -8.69 -5.65 61.41 -8.01 -6.27 61.02 -8.23 -3.61 59.99 -7.69 -4.32 59.17 -8.61 -4.17 61.35 -7.64 -3.62 62.43 2 0 1000.00-999 ?-999 ?-999 ? mTHR^C 69 -8.53 -2.33 59.77 -9.23 -1.99 60.41 -6.54 -1.02 59.19 -6.39 -0.52 60.29 -7.93 -1.50 58.72 -8.81 -0.24 58.48 2 0 1000.00-999 ?-999 ?-999 ? mVAL^C 70 -5.53 -1.19 58.35 -5.78 -1.64 57.49 -3.88 0.45 57.75 -4.05 0.38 56.52 -4.20 -0.75 58.66 -3.14 -1.90 58.51 3 0 1000.00-999 ?-999 ?-999 ? mALA^C 71 -3.51 1.56 58.38 -3.56 1.52 59.37 -1.55 2.79 57.87 -1.08 2.70 59.01 -3.06 2.74 57.66 -3.72 4.00 58.20 2 0 1000.00-999 ?-999 ?-999 ? mILE^C 72 -0.80 2.86 56.77 -1.32 2.83 55.92 0.98 4.38 56.38 0.58 4.79 55.27 0.66 2.98 56.83 1.41 2.05 55.86 3 0 1000.00-999 ?-999 ?-999 ? mASN^C 73 1.66 5.11 57.25 1.84 4.64 58.12 3.61 6.49 57.19 4.10 6.04 58.24 2.11 6.46 56.97 1.42 7.50 57.88 2 0 1000.00-999 ?-999 ?-999 ? mALA^C 74 4.35 7.02 56.23 3.83 7.39 55.46 6.32 8.34 55.78 5.91 8.77 54.70 5.81 7.04 56.32 6.41 5.90 55.57 2 0 1000.00-999 ?-999 ?-999 ? mLEU^C 75 7.15 9.00 56.58 7.33 8.57 57.46 9.29 10.16 56.33 9.84 9.98 57.44 7.76 10.23 56.19 7.19 11.36 57.03 3 0 1000.00-999 ?-999 ?-999 ? mGLY~C 76 9.96 10.33 55.19 9.39 10.41 54.37 12.02 9.24 54.41 11.39 8.18 54.26 11.42 10.38 55.17-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mGLU~C 77 13.25 9.45 53.95 13.64 10.32 54.24 14.10 7.17 53.82 13.88 6.10 53.27 13.96 8.49 53.10 15.34 9.06 52.70 2 0 1000.00-999 ?-999 ?-999 ? mLEU~C 78 14.46 7.23 55.09 14.54 8.15 55.49 13.39 5.32 56.15 13.22 4.12 55.92 14.71 6.00 55.80 15.57 6.28 57.02 3 0 1000.00-999 ?-999 ?-999 ? mALA~C 79 12.44 6.11 56.65 12.76 7.04 56.84 10.43 4.95 55.65 9.81 3.90 55.75 11.07 5.63 56.89 10.19 6.78 57.39 2 0 1000.00-999 ?-999 ?-999 ? mCYH~C 80 10.56 5.57 54.48 11.07 6.43 54.51 10.75 3.75 52.81 10.15 2.81 52.27 9.99 4.97 53.26 9.87 6.00 52.14 2 0 1000.00-999 ?-999 ?-999 ? mSER~C 81 12.06 3.72 53.05 12.45 4.57 53.41 12.37 1.35 53.71 12.38 0.19 53.31 12.82 2.49 52.79 14.34 2.74 52.86 2 0 1000.00-999 ?-999 ?-999 ? mVAL~C 82 11.95 1.67 54.94 12.02 2.65 55.15 10.16 -0.02 55.31 10.00 -1.23 55.38 11.44 0.63 55.87 11.19 1.17 57.34 3 0 1000.00-999 ?-999 ?-999 ? mVAL~C 83 9.27 0.81 54.76 9.52 1.77 54.84 8.36 -0.59 52.90 7.75 -1.64 52.76 8.05 0.34 54.09 7.14 1.54 53.63 3 0 1000.00-999 ?-999 ?-999 ? mVAL~C 84 9.33 -0.21 52.07 9.76 0.67 52.30 10.30 -2.36 51.41 9.93 -3.43 50.92 9.70 -1.06 50.92 10.64 -0.35 49.89 3 0 1000.00-999 ?-999 ?-999 ? mASP~C 85 11.19 -2.29 52.40 11.37 -1.36 52.73 10.82 -4.45 53.53 10.99 -5.65 53.51 11.83 -3.49 52.92 12.91 -3.15 53.95 2 0 1000.00-999 ?-999 ?-999 ? mALA~C 86 9.75 -3.89 54.09 9.75 -2.89 54.08 7.81 -5.35 53.60 6.95 -6.16 53.92 8.67 -4.69 54.67 7.82 -3.83 55.62 2 0 1000.00-999 ?-999 ?-999 ? mGLY.C 87 8.04 -4.99 52.33 8.76 -4.31 52.22 5.85 -5.15 51.17 4.97 -5.95 50.84 7.30 -5.57 51.20-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mLEU.C 88 5.60 -3.88 51.49 6.43 -3.34 51.69 4.06 -2.28 50.47 2.94 -1.94 50.14 4.26 -3.32 51.56 3.97 -2.70 52.93 3 0 1000.00-999 ?-999 ?-999 ? mALA.C 89 5.17 -1.78 49.93 6.01 -2.08 50.38 6.34 -1.18 47.86 7.20 -1.98 48.20 5.16 -0.88 48.79 5.20 0.58 49.24 2 0 1000.00-999 ?-999 ?-999 ? mARG~C 90 6.34 -0.55 46.69 5.50 -0.02 46.52 8.15 0.74 45.76 7.51 1.76 46.04 7.44 -0.61 45.73 6.92 -0.85 44.31 2 0 1000.00-999 ?-999 ?-999 ? mGLU~C 91 9.45 0.75 45.45 9.84 -0.16 45.31 9.50 3.04 44.45 9.57 4.24 44.72 10.21 2.00 45.32 11.63 1.72 44.79 2 0 1000.00-999 ?-999 ?-999 ? mASP~C 92 8.81 2.57 43.40 8.84 1.58 43.29 6.79 4.03 43.12 6.39 5.15 42.79 8.09 3.48 42.51 7.84 2.85 41.14 2 0 1000.00-999 ?-999 ?-999 ? mGLU~C 93 6.16 3.24 44.01 6.55 2.33 44.08 5.29 4.90 45.70 4.36 5.62 46.09 4.99 3.70 44.79 4.41 2.57 45.65 2 0 1000.00-999 ?-999 ?-999 ? mILE~C 94 6.57 5.11 46.06 7.21 4.48 45.61 6.78 7.56 46.45 7.29 7.88 45.37 6.97 6.16 47.01 8.46 6.03 47.49 3 0 1000.00-999 ?-999 ?-999 ? mGLY^C 95 6.07 8.40 47.20 5.76 8.02 48.07 6.59 10.82 47.47 7.70 10.56 47.94 5.78 9.75 46.76-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mGLU^C 96 6.01 12.02 47.53 5.08 12.02 47.18 5.74 14.02 48.92 4.54 14.07 48.66 6.68 13.21 48.06 7.21 14.07 46.90 2 0 1000.00-999 ?-999 ?-999 ? mLEU^C 97 6.28 14.64 49.97 7.22 14.36 50.15 6.59 16.54 51.38 7.51 16.08 52.04 5.55 15.62 50.76 4.71 14.95 51.84 3 0 1000.00-999 ?-999 ?-999 ? mGLY.C 98 6.44 17.84 51.13 5.65 18.04 50.56 8.82 18.75 51.32 9.66 19.25 52.08 7.33 18.88 51.64-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mGLY.C 99 9.15 18.08 50.22 8.37 17.73 49.71 11.16 16.58 50.24 12.35 16.31 49.99 10.55 17.90 49.81-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mVAL^C 100 10.35 15.73 50.86 9.38 15.97 50.81 10.07 13.35 51.08 8.89 13.50 50.81 10.87 14.55 51.55 10.79 14.81 53.09 3 0 1000.00-999 ?-999 ?-999 ? mPRO^C 101 10.71 12.15 50.94 11.70 12.15 51.10 8.72 10.72 51.54 8.81 11.01 52.75 9.90 10.97 50.58 10.92 9.81 50.64 3 0 1000.00-999 ?-999 ?-999 ? mHIS^C 102 7.63 10.20 50.98 7.73 9.93 50.02 5.53 8.91 51.19 5.37 8.76 49.98 6.39 10.04 51.73 5.60 11.34 51.70 3 0 1000.00-999 ?-999 ?-999 ? mVAL^C 103 4.99 8.11 52.11 5.23 8.35 53.05 2.87 7.15 52.64 2.95 7.41 53.83 4.13 7.01 51.79 4.82 5.66 52.09 3 0 1000.00-999 ?-999 ?-999 ? mGLN^C 104 1.71 6.98 52.02 1.79 6.85 51.03 -0.45 5.93 52.12 -1.02 6.15 51.06 0.44 6.98 52.75 -0.19 8.37 52.72 2 0 1000.00-999 ?-999 ?-999 ? mMET^C 105 -0.51 4.76 52.74 0.06 4.69 53.56 -2.26 3.04 53.31 -2.17 3.35 54.50 -1.36 3.68 52.24 -0.51 2.61 51.55 2 0 1000.00-999 ?-999 ?-999 ? mTYR^C 106 -3.13 2.15 52.85 -3.02 1.94 51.87 -4.31 0.11 53.21 -4.25 -0.19 52.00 -4.14 1.53 53.66 -5.49 2.21 53.44 3 0 1000.00-999 ?-999 ?-999 ? mILE^C 107 -4.54 -0.76 54.18 -4.44 -0.41 55.11 -6.37 -2.23 54.38 -6.63 -2.31 55.57 -4.93 -2.12 53.90 -3.96 -3.13 54.56 3 0 1000.00-999 ?-999 ?-999 ? mLEU.C 108 -7.30 -2.16 53.44 -6.96 -2.09 52.50 -9.18 -3.63 53.97 -8.79 -4.53 53.22 -8.70 -2.18 53.79 -9.54 -1.38 52.77 3 0 1000.00-999 ?-999 ?-999 ? mPRO.C 109 -10.00 -3.86 55.00 -10.25 -3.06 55.54 -11.44 -5.73 54.20 -12.27 -4.98 53.69 -10.48 -5.21 55.29 -11.22 -5.04 56.60 3 0 1000.00-999 ?-999 ?-999 ? mARG.C 110 -11.27 -6.99 53.84 -10.48 -7.43 54.28 -13.26 -8.35 53.69 -13.11 -8.62 54.88 -12.14 -7.68 52.90 -11.33 -8.70 52.08 2 0 1000.00-999 ?-999 ?-999 ? mGLU.C 111 -14.41 -8.59 53.08 -14.49 -8.20 52.16 -14.96 -10.79 54.08 -14.19 -11.36 53.32 -15.45 -9.36 53.76 -16.77 -9.32 52.97 2 0 1000.00-999 ?-999 ?-999 ? mPRO.C 112 -15.34 -11.36 55.24 -15.96 -10.81 55.81 -15.33 -13.86 54.72 -16.48 -13.90 54.26 -14.85 -12.70 55.62 -15.38 -12.89 57.04 3 0 1000.00-999 ?-999 ?-999 ? mPHE.C 113 -14.43 -14.81 54.51 -13.55 -14.64 54.96 -15.10 -17.10 54.64 -14.29 -17.66 55.37 -14.68 -15.98 53.70 -13.41 -16.32 52.89 3 0 1000.00-999 ?-999 ?-999 ? mLEU.C 114 -16.38 -17.42 54.64 -16.93 -16.95 53.95 -16.29 -19.77 55.42 -16.07 -20.49 56.40 -16.92 -18.39 55.60 -18.45 -18.45 55.52 3 0 1000.00-999 ?-999 ?-999 ? mGLU.C 115 -15.99 -20.14 54.19 -16.25 -19.50 53.47 -13.79 -21.23 54.02 -13.03 -22.09 53.57 -15.32 -21.41 53.95 -15.78 -22.03 52.63 2 0 1000.00-999 ?-999 ?-999 ? mGLY.C 116 -13.36 -20.11 54.60 -14.10 -19.50 54.90 -11.25 -20.66 55.81 -10.01 -20.69 55.86 -11.95 -19.80 54.77-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mALA.D 2 -27.11 5.29 77.79 -26.94 4.42 78.24 -26.06 7.25 76.63 -26.01 8.48 76.35 -27.36 6.62 77.11 -28.02 7.57 78.08 2 0 1000.00-999 ?-999 ?-999 ? mARG.D 3 -25.01 6.44 76.61 -25.22 5.46 76.69 -22.90 6.36 75.33 -22.97 5.16 75.10 -23.67 6.98 76.49 -22.87 6.79 77.80 2 0 1000.00-999 ?-999 ?-999 ? mVAL^D 4 -22.18 7.20 74.61 -22.35 8.17 74.79 -19.80 7.09 74.10 -19.59 8.16 74.64 -21.21 6.72 73.65 -21.45 7.30 72.23 3 0 1000.00-999 ?-999 ?-999 ? mLEU^D 5 -18.86 6.20 73.81 -19.24 5.36 73.41 -16.77 6.99 72.79 -16.91 6.47 71.68 -17.44 6.39 74.02 -16.80 5.04 74.34 3 0 1000.00-999 ?-999 ?-999 ? mLEU^D 6 -16.07 8.11 72.98 -16.08 8.46 73.92 -13.86 8.69 72.19 -13.35 9.19 73.22 -15.36 8.78 71.93 -15.84 10.23 71.78 3 0 1000.00-999 ?-999 ?-999 ? mASN^D 7 -13.17 8.03 71.28 -13.72 7.66 70.53 -11.17 8.52 70.10 -11.34 7.99 69.00 -11.74 7.87 71.34 -11.42 6.36 71.38 2 0 1000.00-999 ?-999 ?-999 ? mILE^D 8 -10.52 9.68 70.28 -10.58 10.01 71.22 -8.27 10.22 69.31 -7.70 10.47 70.37 -9.80 10.39 69.20 -10.12 11.91 69.22 3 0 1000.00-999 ?-999 ?-999 ? mHIS^D 9 -7.61 9.81 68.23 -8.19 9.59 67.44 -5.49 10.08 66.88 -5.88 9.55 65.82 -6.15 9.73 68.24 -5.69 8.35 68.74 3 0 1000.00-999 ?-999 ?-999 ? mGLY^D 10 -4.51 10.98 66.93 -4.33 11.31 67.86 -2.38 10.86 65.69 -1.60 11.02 66.63 -3.77 11.43 65.74-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mTHR^D 11 -2.07 10.18 64.59 -2.79 10.24 63.90 -0.44 9.72 62.90 -1.22 9.41 62.00 -0.83 9.43 64.37 -1.10 7.89 64.57 2 0 1000.00-999 ?-999 ?-999 ? mGLY.D 12 0.73 10.32 62.66 1.23 10.56 63.50 0.38 11.58 60.47 0.22 12.75 60.85 1.22 10.61 61.29-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mASP.D 13 -0.13 11.10 59.33 0.16 10.16 59.14 -2.53 11.63 58.79 -3.42 12.18 58.10 -1.04 11.86 58.45 -0.85 11.45 56.97 2 0 1000.00-999 ?-999 ?-999 ? mTHR^D 14 -2.79 10.85 59.85 -1.99 10.65 60.40 -4.67 10.75 61.54 -3.96 10.69 62.57 -4.13 10.32 60.17 -4.13 8.77 60.14 2 0 1000.00-999 ?-999 ?-999 ? mVAL^D 15 -5.94 11.16 61.57 -6.32 11.37 60.67 -7.83 10.26 62.79 -8.62 10.20 61.86 -6.68 11.29 62.80 -7.24 12.73 63.00 3 0 1000.00-999 ?-999 ?-999 ? mVAL^D 16 -7.89 9.41 63.80 -7.13 9.50 64.45 -9.93 8.91 65.00 -9.51 9.23 66.13 -8.97 8.45 63.92 -8.50 6.99 64.19 3 0 1000.00-999 ?-999 ?-999 ? mLEU^D 17 -11.21 8.98 64.64 -11.37 8.79 63.67 -13.09 8.01 65.66 -13.78 7.66 64.69 -12.29 9.28 65.56 -13.19 10.40 65.01 3 0 1000.00-999 ?-999 ?-999 ? mALA^D 18 -12.99 7.29 66.78 -12.32 7.64 67.43 -14.92 6.33 68.01 -14.75 7.01 69.04 -13.80 6.11 67.00 -12.95 4.91 67.44 2 0 1000.00-999 ?-999 ?-999 ? mLEU^D 19 -16.08 5.77 67.69 -16.05 5.26 66.83 -17.79 4.49 68.75 -17.81 3.65 67.84 -17.27 5.87 68.51 -18.32 6.71 67.82 3 0 1000.00-999 ?-999 ?-999 ? mCYH^D 20 -18.18 4.23 69.98 -18.04 4.98 70.62 -19.82 3.18 71.40 -19.63 3.98 72.33 -18.75 2.95 70.33 -17.64 2.04 70.86 2 0 1000.00-999 ?-999 ?-999 ? mASP^D 21 -20.96 2.51 71.27 -21.06 2.03 70.39 -21.29 1.98 73.64 -20.54 0.99 73.58 -21.96 2.50 72.36 -23.17 1.64 72.00 2 0 1000.00-999 ?-999 ?-999 ? mGLU.D 22 -21.55 2.65 74.76 -22.19 3.41 74.64 -21.21 0.85 76.43 -20.30 0.19 76.89 -20.96 2.30 76.05 -21.43 3.24 77.16 2 0 1000.00-999 ?-999 ?-999 ? mASP~D 23 -22.44 0.37 76.19 -23.05 1.02 75.73 -22.33 -2.07 75.63 -22.60 -3.24 75.86 -22.84 -0.99 76.56 -24.37 -1.10 76.67 2 0 1000.00-999 ?-999 ?-999 ? mLEU~D 24 -21.63 -1.69 74.57 -21.55 -0.70 74.44 -19.61 -3.10 74.11 -19.04 -4.03 73.54 -21.02 -2.69 73.67 -20.95 -2.16 72.23 3 0 1000.00-999 ?-999 ?-999 ? mLEU~D 25 -19.04 -2.40 75.08 -19.64 -1.74 75.52 -17.42 -3.97 76.11 -18.13 -4.31 77.08 -17.63 -2.62 75.43 -17.09 -1.45 76.26 3 0 1000.00-999 ?-999 ?-999 ? mGLY.D 26 -16.46 -4.74 75.58 -15.98 -4.30 74.82 -17.02 -7.22 75.46 -16.89 -8.39 75.83 -16.16 -6.10 76.05-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mVAL.D 27 -17.92 -6.86 74.56 -17.96 -5.88 74.37 -18.03 -8.52 72.74 -17.19 -7.89 72.07 -18.77 -7.86 73.91 -20.12 -7.25 73.49 3 0 1000.00-999 ?-999 ?-999 ? mGLU^D 28 -18.31 -9.81 72.54 -18.86 -10.22 73.27 -18.96 -10.60 70.31 -20.08 -11.00 70.62 -17.85 -10.55 71.36 -17.36 -11.96 71.74 2 0 1000.00-999 ?-999 ?-999 ? mLEU^D 29 -18.65 -10.16 69.10 -17.71 -9.84 69.01 -19.19 -11.14 66.93 -18.02 -11.17 66.53 -19.61 -10.16 67.99 -19.72 -8.78 67.34 3 0 1000.00-999 ?-999 ?-999 ? mLYS^D 30 -20.15 -11.92 66.45 -21.05 -11.75 66.85 -20.53 -12.56 64.08 -21.70 -12.19 64.03 -19.90 -12.94 65.42 -20.42 -14.30 65.88 2 0 1000.00-999 ?-999 ?-999 ? mTYR^D 31 -19.75 -12.65 63.01 -18.78 -12.76 63.20 -19.49 -13.35 60.63 -18.30 -13.08 60.47 -20.32 -12.59 61.66 -20.64 -11.14 61.23 3 0 1000.00-999 ?-999 ?-999 ? mLYS.D 32 -20.13 -14.32 59.98 -21.06 -14.47 60.34 -18.22 -15.75 59.17 -17.26 -15.65 58.38 -19.57 -15.09 58.86 -19.53 -14.26 57.57 2 0 1000.00-999 ?-999 ?-999 ? mGLY.D 33 -18.16 -16.43 60.31 -19.00 -16.38 60.86 -15.96 -16.34 61.49 -15.03 -16.89 62.09 -16.97 -17.17 60.72-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mARG^D 34 -16.14 -15.02 61.45 -16.87 -14.73 60.84 -15.85 -13.97 63.67 -17.05 -14.10 63.92 -15.33 -14.08 62.24 -15.37 -12.68 61.62 2 0 1000.00-999 ?-999 ?-999 ? mTHR^D 35 -14.93 -13.70 64.60 -13.99 -13.87 64.30 -14.65 -11.83 66.12 -13.44 -11.65 65.96 -15.28 -13.20 65.94 -14.87 -14.17 67.07 2 0 1000.00-999 ?-999 ?-999 ? mLEU^D 36 -15.48 -10.85 66.44 -16.43 -11.12 66.52 -14.99 -9.16 68.12 -16.00 -9.32 68.82 -15.00 -9.50 66.63 -15.86 -8.52 65.84 3 0 1000.00-999 ?-999 ?-999 ? mHIS^D 37 -13.85 -8.70 68.59 -13.13 -8.58 67.91 -13.75 -6.88 70.21 -12.84 -6.16 69.81 -13.68 -8.39 70.01 -12.35 -8.94 70.53 3 0 1000.00-999 ?-999 ?-999 ? mILE.D 38 -14.84 -6.43 70.83 -15.50 -7.13 71.07 -14.18 -4.72 72.38 -14.70 -4.50 73.48 -15.02 -5.01 71.13 -16.53 -4.62 71.28 3 0 1000.00-999 ?-999 ?-999 ? mSER~D 39 -12.86 -4.75 72.17 -12.61 -4.74 71.20 -11.57 -3.39 73.73 -11.46 -2.44 72.94 -11.89 -4.77 73.25 -10.61 -5.50 72.82 2 0 1000.00-999 ?-999 ?-999 ? mGLU~D 40 -11.42 -3.29 75.04 -11.64 -4.14 75.52 -9.81 -1.39 75.11 -9.87 -0.16 74.95 -11.01 -2.10 75.73 -10.68 -2.44 77.18 2 0 1000.00-999 ?-999 ?-999 ? mPRO~D 41 -8.72 -2.12 74.78 -8.73 -3.12 74.90 -7.96 -0.51 73.00 -7.54 0.64 72.90 -7.60 -1.33 74.25 -6.49 -2.38 74.01 3 0 1000.00-999 ?-999 ?-999 ? mPHE~D 42 -8.73 -1.08 72.07 -8.98 -2.02 72.29 -10.44 0.52 71.01 -10.53 1.59 70.39 -9.18 -0.37 70.85 -9.47 -1.37 69.71 3 0 1000.00-999 ?-999 ?-999 ? mTYR~D 43 -11.40 0.09 71.82 -11.15 -0.68 72.41 -13.02 1.73 72.96 -13.92 2.57 72.83 -12.71 0.75 71.81 -13.83 -0.27 71.66 3 0 1000.00-999 ?-999 ?-999 ? mSER~D 44 -12.31 1.59 74.06 -11.81 0.73 74.10 -12.31 4.06 74.61 -11.86 4.35 73.50 -12.27 2.61 75.12 -10.95 2.46 75.87 2 0 1000.00-999 ?-999 ?-999 ? mGLY.D 45 -12.80 4.97 75.43 -13.18 4.60 76.28 -13.58 7.12 76.16 -14.06 6.53 77.12 -12.77 6.37 75.12-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mLYS^D 46 -13.72 8.43 75.94 -13.23 8.74 75.12 -16.01 9.07 76.67 -16.58 9.09 75.55 -14.48 9.32 76.79 -14.15 10.77 76.41 2 0 1000.00-999 ?-999 ?-999 ? mSER^D 47 -16.65 8.80 77.80 -16.05 8.75 78.60 -18.82 9.92 77.85 -18.63 10.78 78.71 -18.10 8.58 77.87 -18.48 7.77 79.12 2 0 1000.00-999 ?-999 ?-999 ? mMET^D 48 -19.60 10.11 76.80 -19.58 9.40 76.10 -21.83 10.99 76.16 -22.12 9.89 75.68 -20.42 11.29 76.72 -19.72 12.45 75.99 2 0 1000.00-999 ?-999 ?-999 ? mGLU~D 49 -22.68 11.99 76.34 -22.31 12.75 76.89 -23.93 12.27 74.27 -23.06 13.06 73.82 -24.02 11.96 75.78 -24.96 12.92 76.53 2 0 1000.00-999 ?-999 ?-999 ? mPRO~D 50 -24.78 11.61 73.47 -25.44 11.04 73.97 -24.58 13.11 71.38 -23.81 13.28 70.45 -24.74 11.72 71.99 -26.06 11.08 71.54 3 0 1000.00-999 ?-999 ?-999 ? mASP~D 51 -25.31 14.11 71.89 -25.90 13.85 72.65 -23.86 16.12 71.58 -23.35 16.84 70.71 -25.22 15.48 71.36 -26.32 16.35 71.96 2 0 1000.00-999 ?-999 ?-999 ? mARG~D 52 -23.27 15.89 72.74 -23.83 15.35 73.38 -20.91 15.72 72.08 -20.03 16.39 71.53 -21.93 16.37 73.03 -21.57 16.05 74.48 2 0 1000.00-999 ?-999 ?-999 ? mALA~D 53 -21.06 14.42 71.89 -21.82 14.04 72.41 -20.27 14.13 69.58 -19.22 14.33 68.96 -20.21 13.61 71.00 -20.63 12.17 71.04 2 0 1000.00-999 ?-999 ?-999 ? mALA~D 54 -21.50 14.35 69.07 -22.24 14.07 69.68 -20.99 16.27 67.60 -20.44 16.59 66.55 -21.71 14.94 67.74 -23.22 15.14 67.46 2 0 1000.00-999 ?-999 ?-999 ? mLYS~D 55 -21.00 17.04 68.68 -21.52 16.66 69.44 -18.78 18.17 68.65 -18.14 18.88 67.87 -20.29 18.32 68.74 -20.64 19.04 70.03 2 0 1000.00-999 ?-999 ?-999 ? mLYS~D 56 -18.20 17.29 69.47 -18.82 16.82 70.10 -16.32 16.50 68.04 -15.31 16.92 67.49 -16.74 17.06 69.41 -16.25 16.17 70.57 2 0 1000.00-999 ?-999 ?-999 ? mILE~D 57 -17.11 15.59 67.49 -17.87 15.31 68.07 -16.80 16.15 65.07 -15.86 16.16 64.29 -16.86 15.06 66.14 -17.89 13.98 65.73 3 0 1000.00-999 ?-999 ?-999 ? mARG~D 58 -17.81 17.04 65.02 -18.53 16.89 65.69 -16.57 19.02 64.20 -15.96 19.47 63.21 -17.81 18.13 64.03 -19.06 19.00 64.14 2 0 1000.00-999 ?-999 ?-999 ? mGLU~D 59 -16.19 19.26 65.45 -16.76 18.81 66.15 -13.74 19.52 65.23 -12.92 20.23 64.65 -15.05 20.12 65.76 -14.96 20.41 67.28 2 0 1000.00-999 ?-999 ?-999 ? mALA~D 60 -13.56 18.22 65.43 -14.34 17.78 65.88 -12.25 17.37 63.47 -11.17 17.52 62.89 -12.36 17.50 65.01 -12.34 16.13 65.67 2 0 1000.00-999 ?-999 ?-999 ? mVAL~D 61 -13.37 17.12 62.81 -14.17 16.92 63.38 -12.92 18.54 60.83 -12.10 18.65 59.88 -13.39 17.14 61.34 -14.80 16.78 60.81 3 0 1000.00-999 ?-999 ?-999 ? mGLN~D 62 -13.41 19.60 61.49 -14.00 19.38 62.27 -11.66 21.32 61.41 -10.98 21.99 60.64 -13.09 20.96 61.06 -14.03 21.98 61.71 2 0 1000.00-999 ?-999 ?-999 ? mGLU~D 63 -11.21 20.87 62.57 -11.89 20.39 63.13 -8.76 20.53 62.01 -7.71 21.16 61.84 -9.83 21.08 62.97 -9.59 20.56 64.39 2 0 1000.00-999 ?-999 ?-999 ? mTYR~D 64 -9.02 19.38 61.39 -9.95 19.04 61.55 -8.28 18.73 59.06 -7.53 18.11 58.29 -8.02 18.70 60.56 -7.84 17.25 61.03 3 0 1000.00-999 ?-999 ?-999 ? mGLU~D 65 -9.35 19.43 58.67 -9.82 19.88 59.43 -8.74 19.88 56.26 -8.81 19.44 55.14 -9.80 19.54 57.29 -10.95 20.53 57.19 2 0 1000.00-999 ?-999 ?-999 ? mASP.D 66 -7.76 20.67 56.65 -7.81 20.97 57.60 -5.37 20.31 55.96 -4.38 20.65 55.31 -6.70 21.04 55.72 -6.48 22.56 55.77 2 0 1000.00-999 ?-999 ?-999 ? mGLU.D 67 -5.34 19.32 56.84 -6.24 18.97 57.09 -3.89 17.29 57.46 -2.81 16.75 57.24 -4.06 18.80 57.38 -3.85 19.36 58.79 2 0 1000.00-999 ?-999 ?-999 ? mLYS.D 68 -4.97 16.61 57.82 -5.81 17.14 57.91 -6.09 14.52 57.42 -7.08 15.20 57.14 -4.88 15.19 58.06 -4.86 14.90 59.58 2 0 1000.00-999 ?-999 ?-999 ? mTHR^D 69 -5.97 13.22 57.18 -5.05 12.86 57.31 -7.84 11.98 58.04 -7.26 11.43 59.00 -7.08 12.39 56.77 -6.60 11.15 56.00 2 0 1000.00-999 ?-999 ?-999 ? mVAL^D 70 -9.11 12.31 58.09 -9.46 12.81 57.30 -10.63 10.62 58.93 -11.45 10.56 57.97 -9.90 11.93 59.24 -10.86 13.03 59.70 3 0 1000.00-999 ?-999 ?-999 ? mALA^D 71 -10.33 9.60 59.72 -9.59 9.77 60.38 -11.99 8.21 60.79 -11.61 8.39 61.96 -11.01 8.34 59.63 -10.03 7.21 59.64 2 0 1000.00-999 ?-999 ?-999 ? mILE^D 72 -13.25 7.90 60.46 -13.39 7.81 59.47 -14.78 6.27 61.45 -15.02 5.70 60.40 -14.31 7.71 61.45 -15.47 8.68 61.19 3 0 1000.00-999 ?-999 ?-999 ? mASN^D 73 -14.86 5.67 62.64 -14.57 6.25 63.40 -16.36 4.39 63.92 -16.02 4.74 65.09 -15.33 4.31 62.83 -14.24 3.36 63.36 2 0 1000.00-999 ?-999 ?-999 ? mALA^D 74 -17.61 4.05 63.59 -17.74 3.79 62.64 -19.32 2.72 64.71 -19.67 2.11 63.71 -18.67 4.08 64.60 -19.72 5.16 64.29 2 0 1000.00-999 ?-999 ?-999 ? mLEU^D 75 -19.47 2.24 65.93 -19.11 2.81 66.67 -21.20 1.09 67.19 -20.94 1.40 68.37 -20.10 0.98 66.13 -19.06 -0.07 66.53 3 0 1000.00-999 ?-999 ?-999 ? mGLY~D 76 -22.43 0.80 66.77 -22.49 0.59 65.79 -24.60 1.77 67.18 -24.27 2.69 66.46 -23.58 0.79 67.67-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mGLU~D 77 -25.85 1.55 67.55 -25.95 0.76 68.16 -26.83 3.82 67.50 -27.08 4.72 66.71 -26.96 2.38 67.09 -28.29 1.83 67.64 2 0 1000.00-999 ?-999 ?-999 ? mLEU~D 78 -26.47 4.05 68.76 -26.32 3.24 69.32 -25.05 6.07 68.61 -25.11 7.20 68.16 -26.30 5.41 69.23 -26.28 5.47 70.76 3 0 1000.00-999 ?-999 ?-999 ? mALA~D 79 -23.93 5.36 68.53 -23.99 4.46 68.97 -23.03 6.29 66.40 -22.55 7.32 65.90 -22.74 5.89 67.85 -21.66 4.87 67.89 2 0 1000.00-999 ?-999 ?-999 ? mCYH~D 80 -23.81 5.47 65.70 -24.13 4.67 66.21 -25.08 6.95 64.14 -24.91 7.76 63.21 -24.12 5.77 64.29 -24.60 4.50 63.58 2 0 1000.00-999 ?-999 ?-999 ? mSER~D 81 -26.03 7.10 65.07 -26.10 6.33 65.70 -26.08 9.58 65.33 -26.46 10.65 64.83 -26.89 8.32 65.11 -27.92 8.25 66.24 2 0 1000.00-999 ?-999 ?-999 ? mVAL~D 82 -25.02 9.48 66.13 -24.89 8.59 66.56 -23.49 11.06 65.02 -23.44 12.25 64.72 -24.13 10.62 66.34 -23.00 10.31 67.38 3 0 1000.00-999 ?-999 ?-999 ? mVAL~D 83 -22.97 10.10 64.25 -23.00 9.19 64.66 -23.43 11.07 61.99 -23.11 12.07 61.34 -22.40 10.40 62.92 -21.81 9.14 62.26 3 0 1000.00-999 ?-999 ?-999 ? mVAL~D 84 -24.67 10.54 61.97 -24.73 9.71 62.53 -26.11 12.50 61.74 -26.15 13.47 60.97 -25.81 11.11 61.21 -27.10 10.23 61.32 3 0 1000.00-999 ?-999 ?-999 ? mASP~D 85 -26.26 12.60 63.07 -26.18 11.72 63.54 -25.45 14.93 63.55 -25.74 16.13 63.61 -26.52 13.86 63.78 -26.63 13.62 65.29 2 0 1000.00-999 ?-999 ?-999 ? mALA~D 86 -24.21 14.52 63.31 -24.09 13.53 63.36 -23.12 15.84 61.49 -22.20 16.53 61.05 -23.14 15.46 62.99 -21.78 14.88 63.42 2 0 1000.00-999 ?-999 ?-999 ? mGLY.D 87 -24.11 15.39 60.73 -24.81 14.87 61.23 -23.11 14.91 58.44 -22.88 15.27 57.30 -24.17 15.63 59.28-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mLEU.D 88 -22.48 13.87 58.99 -22.82 13.58 59.88 -21.80 12.15 57.33 -21.11 11.81 56.37 -21.36 13.26 58.27 -20.30 12.72 59.24 3 0 1000.00-999 ?-999 ?-999 ? mALA.D 89 -22.96 11.58 57.62 -23.41 11.91 58.45 -24.99 10.64 56.85 -25.54 11.21 57.78 -23.49 10.56 56.77 -23.01 9.19 57.20 2 0 1000.00-999 ?-999 ?-999 ? mARG~D 90 -25.63 10.06 55.84 -25.05 9.74 55.10 -27.38 8.64 56.55 -26.59 7.68 56.51 -27.06 9.93 55.83 -27.57 9.88 54.39 2 0 1000.00-999 ?-999 ?-999 ? mGLU~D 91 -28.53 8.62 57.22 -29.00 9.50 57.24 -29.00 6.18 56.92 -28.69 5.08 57.36 -29.04 7.40 57.85 -30.44 7.68 58.42 2 0 1000.00-999 ?-999 ?-999 ? mASP~D 92 -29.27 6.38 55.63 -29.42 7.34 55.39 -27.94 4.72 54.31 -27.83 3.68 53.66 -29.33 5.27 54.68 -30.16 5.64 53.42 2 0 1000.00-999 ?-999 ?-999 ? mGLU~D 93 -26.88 5.41 54.75 -27.11 6.22 55.30 -24.86 4.13 55.54 -23.75 3.61 55.35 -25.51 4.99 54.45 -24.63 6.21 54.14 2 0 1000.00-999 ?-999 ?-999 ? mILE~D 94 -25.55 3.99 56.67 -26.43 4.46 56.67 -25.14 1.74 57.46 -26.17 1.28 56.93 -25.05 3.21 57.80 -25.82 3.54 59.14 3 0 1000.00-999 ?-999 ?-999 ? mGLY^D 95 -24.07 1.01 57.72 -23.29 1.52 58.10 -24.27 -1.18 58.76 -24.93 -0.70 59.67 -24.04 -0.41 57.48-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mGLU^D 96 -23.70 -2.39 58.81 -23.12 -2.60 58.02 -22.66 -4.18 60.07 -21.98 -4.54 59.10 -23.90 -3.31 59.90 -25.11 -4.20 59.62 2 0 1000.00-999 ?-999 ?-999 ? mLEU^D 97 -22.37 -4.54 61.31 -22.95 -4.13 62.01 -21.84 -6.41 62.64 -22.03 -6.02 63.79 -21.29 -5.46 61.60 -20.10 -4.70 62.16 3 0 1000.00-999 ?-999 ?-999 ? mGLY.D 98 -22.15 -7.64 62.21 -21.97 -7.77 61.24 -23.97 -8.31 63.81 -24.11 -8.54 65.02 -22.69 -8.68 63.08-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mGLY.D 99 -24.91 -7.72 63.06 -24.64 -7.55 62.12 -26.20 -6.05 64.38 -27.20 -5.68 64.97 -26.21 -7.35 63.61-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mVAL^D 100 -25.07 -5.34 64.36 -24.34 -5.76 63.82 -24.62 -2.98 64.04 -23.77 -3.20 63.18 -24.93 -4.08 65.07 -23.78 -4.18 66.12 3 0 1000.00-999 ?-999 ?-999 ? mPRO^D 101 -25.29 -1.82 64.12 -25.97 -1.73 64.84 -23.49 -0.40 63.17 -22.89 -0.29 64.26 -24.98 -0.80 63.13 -25.90 0.38 63.51 3 0 1000.00-999 ?-999 ?-999 ? mHIS^D 102 -22.91 -0.21 61.99 -23.54 -0.33 61.22 -21.34 1.15 60.67 -22.02 1.04 59.66 -21.51 0.16 61.82 -20.68 -1.10 61.54 3 0 1000.00-999 ?-999 ?-999 ? mVAL^D 103 -20.42 2.10 60.82 -20.02 2.16 61.74 -18.51 3.27 59.71 -17.94 3.56 60.76 -20.03 2.95 59.71 -20.94 4.22 59.68 3 0 1000.00-999 ?-999 ?-999 ? mGLN^D 104 -17.86 3.18 58.55 -18.40 2.77 57.82 -16.40 4.67 57.27 -16.95 4.43 56.20 -16.47 3.65 58.38 -15.51 2.52 58.04 2 0 1000.00-999 ?-999 ?-999 ? mMET^D 105 -15.70 5.78 57.54 -15.28 5.77 58.44 -14.11 7.37 56.58 -13.45 7.39 57.62 -15.56 6.89 56.61 -16.34 8.13 57.07 2 0 1000.00-999 ?-999 ?-999 ? mTYR^D 106 -13.66 7.79 55.40 -14.28 7.58 54.64 -12.67 9.88 54.67 -13.26 10.05 53.58 -12.40 8.49 55.21 -11.47 7.69 54.28 3 0 1000.00-999 ?-999 ?-999 ? mILE^D 107 -12.28 10.87 55.45 -11.84 10.58 56.30 -11.10 12.85 54.77 -10.33 13.17 55.69 -12.48 12.27 55.07 -13.15 13.08 56.19 3 0 1000.00-999 ?-999 ?-999 ? mLEU.D 108 -10.79 12.99 53.48 -11.54 12.82 52.84 -9.31 14.89 53.19 -10.33 15.58 53.19 -9.43 13.38 53.09 -9.06 12.81 51.70 3 0 1000.00-999 ?-999 ?-999 ? mPRO.D 109 -8.08 15.42 53.33 -7.32 14.77 53.36 -8.44 17.58 52.17 -8.42 16.99 51.10 -7.94 16.87 53.44 -6.43 17.07 53.55 3 0 1000.00-999 ?-999 ?-999 ? mARG.D 110 -8.86 18.83 52.32 -8.91 19.14 53.27 -7.95 20.02 50.41 -6.90 20.30 51.00 -9.22 19.68 51.19 -9.86 20.97 51.70 2 0 1000.00-999 ?-999 ?-999 ? mGLU.D 111 -8.05 19.98 49.08 -8.88 19.55 48.74 -6.65 21.97 48.68 -7.54 22.71 49.11 -7.01 20.53 48.23 -7.49 20.54 46.78 2 0 1000.00-999 ?-999 ?-999 ? mPRO.D 112 -5.36 22.35 48.60 -4.74 21.68 48.22 -5.47 24.84 48.19 -5.59 24.69 46.98 -4.96 23.70 49.06 -3.42 23.67 48.94 3 0 1000.00-999 ?-999 ?-999 ? mPHE.D 113 -5.74 25.98 48.81 -5.60 25.95 49.80 -5.77 28.40 48.87 -5.46 28.33 50.07 -6.21 27.15 48.11 -7.75 27.13 47.94 3 0 1000.00-999 ?-999 ?-999 ? mLEU.D 114 -5.78 29.53 48.18 -6.09 29.43 47.24 -6.54 31.75 48.92 -7.53 31.68 48.20 -5.36 30.80 48.74 -4.28 31.47 47.86 3 0 1000.00-999 ?-999 ?-999 ? mGLU.D 115 -6.42 32.62 49.92 -5.66 32.43 50.53 -6.49 35.03 49.97 -5.43 35.16 50.61 -7.31 33.75 50.10 -7.97 33.71 51.47 2 0 1000.00-999 ?-999 ?-999 ? mGLY.D 116 -6.96 35.95 49.14 -7.81 35.69 48.67 -7.24 38.37 49.24 -6.87 39.37 49.86 -6.28 37.23 48.95-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ?