HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 30-JAN-09 3G1J COMPND INTEGRON CASSETTE PROTEIN; COMPND 3 CHAIN: A, B; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: VIBRIO CHOLERAE; SOURCE 3 ORGANISM_TAXID: 666; SOURCE 4 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 5 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 6 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 7 EXPRESSION_SYSTEM_PLASMID: P15TV-L AUTHOR C.N.DESHPANDE,V.SURESHAN,S.J.HARROP,Y.BOUCHER,X.XU,H.CUI, AUTHOR 2 A.EDWARDS,A.SAVCHENKO,A.JOACHIMIAK,K.TAN,H.W.STOKES, AUTHOR 3 P.M.G.CURMI,B.C.MABBUTT,MIDWEST CENTER FOR STRUCTURAL AUTHOR 4 GENOMICS (MCSG) HET MSE A 39 8 HET MSE A 67 8 HET MSE A 76 8 HET MSE B 39 8 HET MSE B 67 8 HET MSE B 76 8 mGLY.A 0 -9.67 56.81 22.83 -10.35 56.38 23.43 -9.11 57.43 20.51 -10.30 57.54 20.21 -8.68 57.42 21.97-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mVAL.A 1 -8.14 57.32 19.61 -7.22 57.24 19.99 -9.47 56.24 17.87 -9.48 55.16 18.48 -8.43 57.32 18.19 -7.14 57.08 17.36 3 0 1000.00-999 ?-999 ?-999 ? mASP~A 2 -10.35 56.52 16.92 -10.27 57.45 16.55 -10.61 54.48 15.64 -10.21 54.75 14.51 -11.33 55.54 16.48 -12.44 56.25 15.68 2 0 1000.00-999 ?-999 ?-999 ? mARG~A 3 -10.44 53.29 16.19 -10.87 53.19 17.09 -10.28 51.82 14.17 -9.55 51.35 13.30 -9.69 52.22 15.52 -9.62 50.97 16.40 2 0 1000.00-999 ?-999 ?-999 ? mASP~A 4 -11.59 51.99 14.01 -12.06 52.39 14.80 -11.78 52.42 11.56 -12.03 52.03 10.42 -12.25 51.60 12.77 -13.77 51.70 12.92 2 0 1000.00-999 ?-999 ?-999 ? mTYR~A 5 -11.14 53.56 11.81 -11.06 53.79 12.78 -9.18 53.97 10.34 -8.67 54.42 9.32 -10.59 54.38 10.73 -10.58 55.88 11.11 3 0 1000.00-999 ?-999 ?-999 ? mLEU~A 6 -8.56 53.11 11.14 -9.13 52.72 11.87 -6.91 51.61 10.00 -7.68 50.64 9.96 -7.15 52.78 10.94 -6.47 52.48 12.28 3 0 1000.00-999 ?-999 ?-999 ? mGLN.A 7 -5.81 51.70 9.26 -5.36 52.59 9.31 -4.65 49.58 9.37 -3.85 49.94 10.23 -5.32 50.60 8.45 -4.34 51.17 7.43 2 0 1000.00-999 ?-999 ?-999 ? mSER.A 8 -4.99 48.30 9.20 -5.56 48.12 8.40 -3.07 46.84 9.96 -2.48 46.25 10.86 -4.53 47.28 10.14 -5.45 46.06 10.09 2 0 1000.00-999 ?-999 ?-999 ? mGLU^A 9 -2.50 47.10 8.78 -3.11 47.53 8.12 -0.39 47.89 7.83 -0.94 48.55 6.95 -1.11 46.76 8.52 -1.01 45.51 7.64 2 0 1000.00-999 ?-999 ?-999 ? mTYR^A 10 0.87 48.10 8.21 1.16 47.57 9.00 3.12 48.46 7.49 3.83 48.47 8.51 1.72 49.04 7.51 1.71 50.42 8.18 3 0 1000.00-999 ?-999 ?-999 ? mGLY.A 11 3.51 47.94 6.33 2.87 48.08 5.57 4.82 46.13 7.24 3.88 45.34 7.35 4.77 47.24 6.21-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mVAL.A 12 5.91 46.09 8.00 6.56 46.83 7.82 5.20 45.16 10.21 5.04 44.20 10.95 6.13 45.06 9.01 7.60 45.06 9.51 3 0 1000.00-999 ?-999 ?-999 ? mLEU^A 13 4.55 46.31 10.38 4.71 47.00 9.66 2.27 45.95 11.27 1.60 46.32 10.32 3.67 46.53 11.52 3.57 48.03 11.85 3 0 1000.00-999 ?-999 ?-999 ? mLYS^A 14 1.86 45.04 12.14 2.53 44.84 12.86 -0.22 44.64 13.36 0.29 44.40 14.45 0.56 44.39 12.06 0.75 42.88 11.87 2 0 1000.00-999 ?-999 ?-999 ? mALA.A 15 -1.45 45.12 13.24 -1.77 45.24 12.30 -2.40 44.25 15.38 -2.70 43.13 14.95 -2.24 45.43 14.43 -3.60 45.97 14.03 2 0 1000.00-999 ?-999 ?-999 ? mGLY.A 16 -2.18 44.49 16.66 -1.94 45.44 16.87 -0.99 42.79 18.02 -0.89 42.08 19.03 -2.30 43.46 17.67-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mGLN.A 17 0.03 42.99 17.19 -0.19 43.56 16.40 2.21 43.39 18.25 2.06 44.61 18.17 1.35 42.43 17.44 2.05 42.10 16.12 2 0 1000.00-999 ?-999 ?-999 ? mCYH^A 18 3.14 42.83 19.01 3.17 41.83 18.98 5.40 43.80 19.18 5.88 42.88 18.53 4.04 43.65 19.83 4.21 43.06 21.21 2 0 1000.00-999 ?-999 ?-999 ? mTYR^A 19 6.02 44.97 19.38 5.52 45.59 19.98 8.29 45.89 19.76 7.91 46.68 20.62 7.31 45.30 18.76 7.11 46.27 17.58 3 0 1000.00-999 ?-999 ?-999 ? mLYS^A 20 9.56 45.50 19.65 9.69 44.74 19.02 11.25 47.22 19.50 11.48 47.01 18.30 10.64 46.13 20.37 11.72 45.08 20.65 2 0 1000.00-999 ?-999 ?-999 ? mVAL^A 21 11.52 48.38 20.08 11.18 48.48 21.01 13.72 48.96 19.26 14.35 48.74 20.29 12.26 49.40 19.34 12.14 50.76 20.02 3 0 1000.00-999 ?-999 ?-999 ? mVAL.A 22 14.24 48.78 18.05 13.63 48.97 17.28 16.62 49.41 17.45 17.83 49.16 17.37 15.64 48.33 17.90 15.78 47.07 17.03 3 0 1000.00-999 ?-999 ?-999 ? mARG.A 23 16.11 50.60 17.14 15.12 50.61 17.02 16.21 52.95 17.56 15.07 53.20 17.15 16.97 51.76 17.01 17.39 52.04 15.57 2 0 1000.00-999 ?-999 ?-999 ? mSER.A 24 16.82 53.68 18.49 17.73 53.35 18.76 15.89 55.81 17.89 16.69 55.91 16.96 16.15 54.86 19.04 16.99 55.54 20.13 2 0 1000.00-999 ?-999 ?-999 ? mPHE^A 25 14.76 56.51 17.93 14.16 56.31 18.71 13.54 58.58 17.44 12.85 58.38 18.45 14.46 57.49 16.90 13.81 56.81 15.69 3 0 1000.00-999 ?-999 ?-999 ? mARG^A 26 13.54 59.72 16.75 14.17 59.72 15.98 11.66 61.04 16.01 12.00 60.96 14.82 12.68 60.85 17.11 13.50 62.13 17.27 2 0 1000.00-999 ?-999 ?-999 ? mASP.A 27 10.42 61.28 16.39 10.27 61.33 17.38 9.23 62.91 14.95 10.05 63.77 15.32 9.38 61.45 15.40 8.05 60.82 15.86 2 0 1000.00-999 ?-999 ?-999 ? mTYR.A 28 8.23 63.18 14.13 7.64 62.40 13.92 7.78 65.55 14.70 8.07 66.74 14.54 8.03 64.52 13.60 6.86 64.53 12.61 3 0 1000.00-999 ?-999 ?-999 ? mARG.A 29 7.23 65.08 15.82 7.03 64.10 15.80 8.21 66.04 17.82 8.18 66.59 18.93 6.95 65.94 16.97 5.78 65.37 17.78 2 0 1000.00-999 ?-999 ?-999 ? mASN.A 30 9.30 65.52 17.28 9.16 65.21 16.34 10.53 64.61 19.28 11.32 64.85 20.18 10.59 65.39 17.97 11.27 66.75 18.19 2 0 1000.00-999 ?-999 ?-999 ? mILE.A 31 9.59 63.68 19.38 8.94 63.65 18.61 10.48 61.62 20.29 10.46 61.02 19.22 9.53 62.79 20.53 8.11 62.22 20.73 3 0 1000.00-999 ?-999 ?-999 ? mASN^A 32 11.30 61.31 21.28 11.23 61.90 22.08 11.60 58.89 21.66 10.95 58.86 22.70 12.24 60.19 21.17 13.52 60.49 21.97 2 0 1000.00-999 ?-999 ?-999 ? mTYR^A 33 11.77 57.82 20.88 12.16 58.02 19.99 12.70 55.71 21.50 13.56 55.72 20.63 11.40 56.47 21.33 10.46 55.79 20.34 3 0 1000.00-999 ?-999 ?-999 ? mGLU.A 34 12.85 55.08 22.66 12.01 55.01 23.20 14.29 53.08 22.76 13.39 52.28 22.98 14.14 54.55 23.09 14.30 54.77 24.60 2 0 1000.00-999 ?-999 ?-999 ? mARG.A 35 15.46 52.72 22.23 16.08 53.47 22.00 15.43 50.49 23.25 15.74 50.88 24.39 15.78 51.31 22.01 17.26 51.14 21.67 2 0 1000.00-999 ?-999 ?-999 ? mGLY.A 36 14.78 49.35 23.04 14.61 49.14 22.07 12.90 48.65 24.52 12.32 47.76 25.15 14.37 48.49 24.14-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mASP.A 37 12.32 49.79 24.17 12.94 50.46 23.76 10.08 48.95 23.66 10.44 48.53 22.56 10.89 50.01 24.37 10.49 51.38 23.83 2 0 1000.00-999 ?-999 ?-999 ? mVAL^A 38 8.98 48.52 24.27 8.83 48.91 25.18 6.65 48.12 23.59 6.14 48.62 24.59 8.07 47.56 23.64 8.07 46.23 24.38 3 0 1000.00-999 ?-999 ?-999 ? mMETA 39 6.03 48.05 22.42 6.55 47.58 21.71 3.87 47.72 21.31 4.41 47.05 20.43 4.70 48.63 22.20 4.82 49.99 21.48 2 0 1000.00-999 ?-999 ?-999 ? mARG^A 40 2.55 47.71 21.51 2.24 48.26 22.28 1.11 47.83 19.50 0.55 48.90 19.76 1.67 46.95 20.62 0.53 46.30 21.42 2 0 1000.00-999 ?-999 ?-999 ? mPHE^A 41 1.24 47.38 18.25 1.71 46.50 18.16 -0.82 48.15 17.09 -1.45 47.10 17.21 0.71 48.16 17.12 1.27 47.66 15.78 3 0 1000.00-999 ?-999 ?-999 ? mLEU^A 42 -1.41 49.33 16.93 -0.78 50.10 16.87 -3.35 49.68 15.41 -4.47 49.30 15.06 -2.86 49.45 16.85 -3.33 50.61 17.73 3 0 1000.00-999 ?-999 ?-999 ? mGLY^A 43 -2.53 50.35 14.60 -1.67 50.63 15.02 -2.33 51.96 12.76 -1.77 52.70 13.56 -2.89 50.63 13.22-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mSER^A 44 -2.50 52.28 11.48 -3.04 51.63 10.95 -2.93 54.30 10.12 -3.97 53.80 9.70 -1.92 53.49 10.92 -0.76 53.11 10.00 2 0 1000.00-999 ?-999 ?-999 ? mASN^A 45 -2.59 55.56 9.89 -1.80 55.89 10.41 -2.38 57.29 8.19 -1.44 57.83 8.77 -3.33 56.39 8.96 -4.38 57.23 9.68 2 0 1000.00-999 ?-999 ?-999 ? mPHE^A 46 -2.61 57.45 6.89 -3.41 56.96 6.55 -2.47 59.41 5.40 -3.45 59.19 4.69 -1.72 58.28 6.07 -0.98 57.43 5.03 3 0 1000.00-999 ?-999 ?-999 ? mVAL^A 47 -2.01 60.63 5.64 -1.24 60.66 6.28 -1.67 62.30 3.90 -0.69 63.00 4.15 -2.59 61.82 5.03 -2.78 62.95 6.06 3 0 1000.00-999 ?-999 ?-999 ? mPRO.A 48 -2.00 61.92 2.65 -2.89 61.47 2.61 -0.70 63.56 1.26 0.44 63.78 0.85 -1.16 62.12 1.46 -2.08 61.69 0.31 3 0 1000.00-999 ?-999 ?-999 ? mTYR.A 49 -1.58 64.51 1.54 -2.46 64.18 1.89 -0.02 66.32 2.14 0.94 66.86 1.59 -1.25 65.91 1.34 -2.45 66.79 1.71 3 0 1000.00-999 ?-999 ?-999 ? mGLU.A 50 -0.04 66.06 3.44 -0.86 65.57 3.75 2.16 65.40 4.37 3.18 65.59 5.05 1.05 66.44 4.34 0.50 66.63 5.76 2 0 1000.00-999 ?-999 ?-999 ? mSER.A 51 1.98 64.31 3.64 1.22 64.36 3.00 2.88 62.77 5.28 3.93 62.42 5.82 2.84 63.14 3.80 4.24 63.42 3.26 2 0 1000.00-999 ?-999 ?-999 ? mGLY^A 52 1.73 62.87 5.93 0.94 63.08 5.36 1.23 61.26 7.75 0.04 60.91 7.70 1.64 62.66 7.37-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mLEU^A 53 2.20 60.44 8.14 3.12 60.84 8.11 1.79 58.98 10.09 2.70 59.34 10.84 1.93 59.07 8.57 3.04 58.13 8.09 3 0 1000.00-999 ?-999 ?-999 ? mSER^A 54 0.66 58.48 10.56 -0.04 58.29 9.87 0.57 56.76 12.27 -0.17 55.97 11.68 0.49 58.25 11.98 -0.86 58.79 12.45 2 0 1000.00-999 ?-999 ?-999 ? mLEU^A 55 1.45 56.38 13.19 2.04 57.12 13.53 1.04 54.97 15.09 1.69 55.52 15.97 1.52 55.01 13.65 2.95 54.48 13.54 3 0 1000.00-999 ?-999 ?-999 ? mPHE^A 56 -0.10 54.33 15.34 -0.53 53.92 14.53 -0.23 52.99 17.42 -0.31 51.89 16.88 -0.65 54.26 16.68 -2.18 54.35 16.65 3 0 1000.00-999 ?-999 ?-999 ? mPHE^A 57 0.22 53.17 18.65 0.18 54.11 18.98 0.11 52.14 20.83 -0.25 53.22 21.30 0.71 52.06 19.44 2.24 52.12 19.60 3 0 1000.00-999 ?-999 ?-999 ? mASP^A 58 0.00 51.00 21.50 0.10 50.17 20.94 1.09 50.83 23.66 1.87 49.95 23.30 -0.25 51.00 22.93 -1.19 49.86 23.33 2 0 1000.00-999 ?-999 ?-999 ? mLYS^A 59 1.34 51.67 24.65 0.68 52.42 24.74 2.04 51.52 26.98 1.59 52.55 27.47 2.49 51.49 25.52 3.56 52.57 25.29 2 0 1000.00-999 ?-999 ?-999 ? mASN.A 60 2.19 50.39 27.66 2.65 49.66 27.15 0.30 50.79 29.23 0.00 51.42 30.24 1.71 50.24 29.04 2.66 50.91 30.04 2 0 1000.00-999 ?-999 ?-999 ? mGLY.A 61 -0.56 50.55 28.25 -0.15 50.16 27.43 -2.36 52.25 27.90 -3.54 52.61 27.87 -1.98 50.86 28.39-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mSER^A 62 -1.35 53.03 27.52 -0.45 52.60 27.61 -1.33 54.45 25.52 -0.36 53.90 25.00 -1.56 54.38 27.03 -0.61 55.35 27.73 2 0 1000.00-999 ?-999 ?-999 ? mGLU^A 63 -2.23 55.13 24.84 -2.95 55.55 25.40 -1.12 56.30 22.99 -1.13 57.43 23.48 -2.16 55.26 23.39 -3.53 55.66 22.85 2 0 1000.00-999 ?-999 ?-999 ? mARG^A 64 -0.19 55.89 22.13 -0.25 54.92 21.89 0.60 56.96 20.09 0.40 55.98 19.37 0.80 56.79 21.60 2.21 56.26 21.90 2 0 1000.00-999 ?-999 ?-999 ? mGLN^A 65 0.60 58.21 19.62 0.65 58.92 20.32 1.92 58.88 17.72 2.38 59.97 18.06 0.53 58.48 18.19 -0.46 59.61 17.89 2 0 1000.00-999 ?-999 ?-999 ? mILE^A 66 2.58 58.02 16.95 2.12 57.15 16.80 3.70 59.00 15.04 3.24 58.36 14.10 3.88 58.37 16.40 4.79 57.13 16.30 3 0 1000.00-999 ?-999 ?-999 ? mMETA 67 4.05 60.28 14.93 4.49 60.67 15.74 5.09 61.07 12.92 6.13 61.48 13.43 3.81 61.02 13.72 3.37 62.44 14.04 2 0 1000.00-999 ?-999 ?-999 ? mLEU^A 68 5.01 60.66 11.66 4.11 60.33 11.38 5.84 61.46 9.50 4.89 61.12 8.81 6.18 60.71 10.79 6.65 59.28 10.47 3 0 1000.00-999 ?-999 ?-999 ? mCYH^A 69 6.62 62.49 9.17 7.30 62.75 9.86 7.29 62.38 6.85 8.53 62.36 6.94 6.46 63.14 7.88 6.93 64.59 7.94 2 0 1000.00-999 ?-999 ?-999 ? mVAL.A 70 6.62 61.74 5.90 5.64 61.93 5.88 7.92 61.60 3.80 7.45 61.54 2.66 7.30 60.84 4.97 6.37 59.72 4.47 3 0 1000.00-999 ?-999 ?-999 ? mARG.A 71 8.97 62.34 4.12 9.18 62.34 5.10 11.20 62.88 3.47 11.54 62.66 4.64 9.73 63.08 3.13 9.36 64.56 3.15 2 0 1000.00-999 ?-999 ?-999 ? mPRO.A 72 12.07 62.96 2.46 11.67 63.27 1.59 14.15 63.43 3.73 14.98 62.89 4.48 13.49 62.63 2.63 14.11 63.01 1.28 3 0 1000.00-999 ?-999 ?-999 ? mGLU.A 73 13.79 64.70 3.83 13.04 64.97 3.22 13.90 65.47 6.18 14.46 66.02 7.13 14.45 65.60 4.76 14.35 67.06 4.28 2 0 1000.00-999 ?-999 ?-999 ? mPHE.A 74 12.80 64.72 6.32 12.44 64.34 5.47 12.29 63.02 8.07 13.36 62.57 8.50 12.20 64.49 7.63 10.77 65.03 7.68 3 0 1000.00-999 ?-999 ?-999 ? mGLN~A 75 11.20 62.27 7.95 10.42 62.70 7.49 10.91 59.78 7.49 10.51 58.69 7.92 11.21 60.91 8.48 10.28 60.78 9.71 2 0 1000.00-999 ?-999 ?-999 ? mMETA 76 11.10 60.02 6.19 11.31 60.96 5.95 11.92 57.79 5.65 11.58 56.62 5.53 10.98 58.92 5.22 11.31 59.36 3.78 2 0 1000.00-999 ?-999 ?-999 ? mGLU~A 77 13.10 58.16 6.14 13.26 59.15 6.15 13.41 56.14 7.55 13.68 54.94 7.43 14.07 57.17 6.64 15.24 57.86 7.36 2 0 1000.00-999 ?-999 ?-999 ? mILE~A 78 12.55 56.60 8.45 12.37 57.58 8.42 10.78 54.92 8.75 10.70 53.70 8.83 11.93 55.68 9.40 11.44 56.42 10.66 3 0 1000.00-999 ?-999 ?-999 ? mALA~A 79 9.88 55.67 8.11 10.10 56.65 8.10 9.05 54.07 6.40 8.32 53.08 6.22 8.70 55.10 7.47 7.85 56.24 6.88 2 0 1000.00-999 ?-999 ?-999 ? mHIS~A 80 10.16 54.29 5.70 10.67 55.10 6.01 11.52 52.29 5.01 11.87 51.44 4.18 10.60 53.45 4.59 11.36 54.29 3.56 3 0 1000.00-999 ?-999 ?-999 ? mHIS~A 81 11.92 52.28 6.27 11.57 53.04 6.83 12.38 50.79 8.17 13.18 50.76 9.10 12.81 51.24 6.78 14.26 51.75 6.84 3 0 1000.00-999 ?-999 ?-999 ? mLEU~A 82 11.10 50.45 8.32 10.58 50.40 7.47 11.27 49.03 10.38 11.34 49.02 11.61 10.56 50.17 9.64 9.06 49.89 9.53 3 0 1000.00-999 ?-999 ?-999 ? mASP~A 83 11.82 48.08 9.62 11.69 48.19 8.63 13.90 47.38 10.84 14.51 46.60 11.55 12.54 46.98 10.25 12.67 45.77 9.31 2 0 1000.00-999 ?-999 ?-999 ? mSER~A 84 14.35 48.60 10.56 13.81 49.10 9.88 15.17 49.65 12.61 16.05 49.85 13.44 15.54 49.14 11.22 16.14 50.30 10.41 2 0 1000.00-999 ?-999 ?-999 ? mTYR.A 85 13.88 49.87 12.84 13.28 49.51 12.12 12.52 49.69 14.93 12.55 49.83 16.15 13.39 50.56 14.03 12.64 51.86 13.61 3 0 1000.00-999 ?-999 ?-999 ? mPHE^A 86 11.78 48.78 14.31 11.89 48.76 13.32 11.17 46.46 14.71 11.32 46.08 13.55 10.88 47.91 15.03 9.43 48.23 14.66 3 0 1000.00-999 ?-999 ?-999 ? mCYH^A 87 11.23 45.64 15.76 11.20 46.10 16.65 10.18 43.50 16.32 9.89 43.77 17.50 11.33 44.20 15.60 12.69 43.70 16.11 2 0 1000.00-999 ?-999 ?-999 ? mLYS^A 88 9.49 42.62 15.60 9.81 42.51 14.65 8.81 41.08 17.42 9.93 40.56 17.50 8.38 41.88 16.18 7.74 40.97 15.14 2 0 1000.00-999 ?-999 ?-999 ? mLEU.A 89 7.90 40.98 18.39 7.03 41.41 18.16 8.79 41.25 20.69 8.25 41.45 21.78 8.15 40.31 19.68 8.99 39.04 19.51 3 0 1000.00-999 ?-999 ?-999 ? mARG.B 3 31.15 82.06 10.64 31.66 82.71 10.08 30.58 81.41 12.93 30.97 80.54 13.71 30.39 81.11 11.45 30.83 79.68 11.14 2 0 1000.00-999 ?-999 ?-999 ? mASP.B 4 30.28 82.65 13.31 29.95 83.23 12.57 29.47 82.39 15.63 29.75 82.23 16.82 30.45 83.10 14.69 30.24 84.62 14.76 2 0 1000.00-999 ?-999 ?-999 ? mTYR.B 5 28.33 81.98 15.09 28.25 82.17 14.11 27.68 79.84 16.13 27.07 79.17 16.96 27.30 81.30 15.87 25.96 81.38 15.15 3 0 1000.00-999 ?-999 ?-999 ? mLEU.B 6 28.66 79.35 15.39 29.02 79.96 14.68 30.32 78.06 16.62 31.01 79.07 16.73 29.16 78.00 15.63 29.60 77.32 14.33 3 0 1000.00-999 ?-999 ?-999 ? mGLN.B 7 30.51 76.97 17.35 29.82 76.26 17.23 32.86 76.60 17.36 32.86 75.66 16.57 31.65 76.86 18.24 31.43 75.69 19.18 2 0 1000.00-999 ?-999 ?-999 ? mSER.B 8 33.89 77.43 17.50 33.83 78.05 18.28 35.97 76.24 16.77 36.67 75.83 15.85 35.01 77.41 16.56 35.78 78.74 16.62 2 0 1000.00-999 ?-999 ?-999 ? mGLU^B 9 36.01 75.71 17.99 35.44 76.17 18.66 35.95 73.43 18.84 35.02 73.70 19.59 36.82 74.53 18.27 37.92 74.86 19.29 2 0 1000.00-999 ?-999 ?-999 ? mTYR^B 10 36.26 72.18 18.49 36.92 72.11 17.74 36.68 69.89 19.18 36.89 69.23 18.17 35.67 71.04 19.17 34.36 70.60 18.51 3 0 1000.00-999 ?-999 ?-999 ? mGLY.B 11 37.30 69.66 20.33 36.98 70.21 21.10 39.50 69.05 19.52 39.96 70.20 19.54 38.36 68.67 20.44-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mVAL.B 12 39.94 68.11 18.69 39.46 67.24 18.79 40.62 69.23 16.58 41.47 69.81 15.90 41.03 68.33 17.74 41.51 66.99 17.16 3 0 1000.00-999 ?-999 ?-999 ? mLEU^B 13 39.32 69.34 16.34 38.75 68.87 17.01 38.82 71.60 15.42 38.29 72.12 16.40 38.78 70.08 15.21 37.35 69.62 14.91 3 0 1000.00-999 ?-999 ?-999 ? mLYS^B 14 39.45 72.30 14.48 39.79 71.75 13.71 39.10 74.41 13.31 39.48 74.04 12.20 39.63 73.74 14.57 41.12 74.05 14.76 2 0 1000.00-999 ?-999 ?-999 ? mALA.B 15 38.21 75.38 13.48 37.99 75.58 14.43 38.64 76.62 11.37 39.66 77.18 11.77 37.60 76.08 12.35 36.72 77.22 12.86 2 0 1000.00-999 ?-999 ?-999 ? mGLY.B 16 38.38 76.43 10.07 37.53 75.94 9.90 40.35 75.89 8.60 40.98 76.04 7.56 39.28 76.89 9.03-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mGLN.B 17 40.55 74.86 9.42 39.95 74.85 10.21 41.02 72.66 8.38 39.87 72.28 8.56 41.58 73.85 9.16 42.18 73.36 10.48 2 0 1000.00-999 ?-999 ?-999 ? mCYH^B 18 41.85 72.07 7.53 42.75 72.49 7.46 41.83 69.59 7.47 42.92 69.47 8.04 41.45 70.89 6.77 42.04 70.93 5.37 2 0 1000.00-999 ?-999 ?-999 ? mTYR^B 19 40.92 68.62 7.43 40.08 68.87 6.94 40.92 66.20 7.09 40.13 66.31 6.15 41.14 67.33 8.07 40.22 67.14 9.29 3 0 1000.00-999 ?-999 ?-999 ? mLYS^B 20 41.65 65.11 7.30 42.33 65.20 8.03 40.82 62.89 7.44 41.19 62.79 8.60 41.46 63.91 6.52 42.81 63.40 6.00 2 0 1000.00-999 ?-999 ?-999 ? mVAL^B 21 39.83 62.17 6.93 39.55 62.42 6.00 40.20 59.91 7.79 40.69 59.41 6.77 39.23 61.09 7.70 37.89 60.65 7.09 3 0 1000.00-999 ?-999 ?-999 ? mVAL.B 22 40.50 59.46 9.01 40.06 59.93 9.77 40.78 57.06 9.70 41.43 56.01 9.76 41.43 58.34 9.15 42.69 58.74 9.94 3 0 1000.00-999 ?-999 ?-999 ? mARG.B 23 39.50 57.14 10.06 39.14 58.07 10.11 37.32 56.08 9.77 36.57 56.98 10.17 38.72 55.94 10.35 38.67 55.65 11.86 2 0 1000.00-999 ?-999 ?-999 ? mSER.B 24 36.97 55.23 8.81 37.67 54.56 8.57 34.55 55.20 9.24 34.66 54.39 10.15 35.65 55.32 8.18 35.46 54.24 7.12 2 0 1000.00-999 ?-999 ?-999 ? mPHE^B 25 33.49 55.99 9.12 33.49 56.61 8.34 31.08 56.30 9.53 31.03 56.96 8.50 32.43 55.90 10.11 32.76 56.78 11.32 3 0 1000.00-999 ?-999 ?-999 ? mARG^B 26 30.01 55.90 10.21 30.23 55.32 10.99 28.15 57.34 10.80 28.37 57.22 12.00 28.64 56.27 9.85 27.68 55.10 10.07 2 0 1000.00-999 ?-999 ?-999 ? mASP.B 27 27.44 58.35 10.30 27.41 58.41 9.31 25.32 58.90 11.49 24.83 57.85 11.06 26.78 59.27 11.23 26.94 60.75 10.82 2 0 1000.00-999 ?-999 ?-999 ? mTYR.B 28 24.63 59.75 12.23 25.12 60.60 12.44 22.28 59.37 11.51 21.24 58.70 11.60 23.26 59.47 12.68 22.83 60.55 13.68 3 0 1000.00-999 ?-999 ?-999 ? mARG.B 29 22.59 60.03 10.40 23.44 60.56 10.46 22.22 58.89 8.20 21.85 58.91 7.02 21.75 59.94 9.20 21.62 61.32 8.54 2 0 1000.00-999 ?-999 ?-999 ? mASN.B 30 23.04 57.96 8.70 23.28 58.12 9.66 24.52 57.21 6.82 24.84 56.38 5.97 23.55 56.83 7.93 22.40 55.98 7.35 2 0 1000.00-999 ?-999 ?-999 ? mILE.B 31 25.02 58.44 6.84 24.66 59.03 7.57 27.37 58.27 6.18 27.85 58.35 7.31 26.00 58.87 5.86 26.11 60.41 5.79 3 0 1000.00-999 ?-999 ?-999 ? mASN^B 32 27.97 57.65 5.17 27.43 57.64 4.32 30.36 58.06 5.00 30.36 58.67 3.93 29.28 57.03 5.30 29.41 55.87 4.31 2 0 1000.00-999 ?-999 ?-999 ? mTYR^B 33 31.26 58.27 5.96 31.04 57.83 6.83 33.66 58.15 5.62 34.02 57.47 6.58 32.45 59.08 5.73 32.63 60.12 6.84 3 0 1000.00-999 ?-999 ?-999 ? mGLU.B 34 34.26 58.13 4.43 33.90 58.81 3.79 36.70 57.71 4.52 36.99 58.90 4.39 35.34 57.21 4.10 35.38 57.00 2.58 2 0 1000.00-999 ?-999 ?-999 ? mARG.B 35 37.54 56.79 5.01 37.12 55.91 5.21 39.55 57.67 3.93 39.40 57.09 2.85 38.95 57.09 5.21 39.72 55.84 5.62 2 0 1000.00-999 ?-999 ?-999 ? mGLY.B 36 40.21 58.81 4.04 40.29 59.17 4.97 40.01 60.74 2.47 40.53 61.57 1.73 40.76 59.48 2.87-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mASP.B 37 38.78 60.87 2.97 38.48 60.10 3.53 38.61 63.28 3.33 39.01 63.25 4.49 37.97 62.05 2.69 36.56 61.88 3.27 2 0 1000.00-999 ?-999 ?-999 ? mVAL^B 38 38.68 64.36 2.57 38.33 64.25 1.64 38.18 66.70 3.12 37.45 66.93 2.16 39.24 65.60 3.08 40.43 66.06 2.22 3 0 1000.00-999 ?-999 ?-999 ? mMETB 39 38.08 67.36 4.27 38.75 67.09 4.96 37.64 69.48 5.38 38.52 69.21 6.20 37.08 68.39 4.47 35.81 67.78 5.08 2 0 1000.00-999 ?-999 ?-999 ? mARG^B 40 37.13 70.69 5.22 36.45 70.76 4.49 36.51 72.05 7.18 35.31 72.22 6.91 37.53 71.82 6.06 37.69 73.08 5.19 2 0 1000.00-999 ?-999 ?-999 ? mPHE^B 41 36.97 72.04 8.43 37.96 71.90 8.51 35.56 73.66 9.67 36.34 74.60 9.56 36.07 72.22 9.56 36.74 71.79 10.87 3 0 1000.00-999 ?-999 ?-999 ? mLEU^B 42 34.26 73.82 9.89 33.76 72.96 9.98 33.23 75.52 11.40 33.20 76.69 11.75 33.63 75.14 9.98 32.39 75.19 9.08 3 0 1000.00-999 ?-999 ?-999 ? mGLY^B 43 32.88 74.51 12.20 32.96 73.60 11.79 31.37 73.74 13.96 30.91 72.94 13.14 32.43 74.75 13.55-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mSER^B 44 30.98 73.77 15.22 31.38 74.51 15.77 28.86 73.45 16.40 28.90 74.63 16.75 30.05 72.79 15.73 30.74 71.87 16.73 2 0 1000.00-999 ?-999 ?-999 ? mASN^B 45 27.81 72.67 16.58 27.84 71.80 16.09 26.15 71.84 18.13 26.08 70.76 17.54 26.70 73.07 17.42 25.59 73.74 16.62 2 0 1000.00-999 ?-999 ?-999 ? mPHE^B 46 25.77 72.01 19.38 25.86 72.96 19.71 23.86 71.24 20.63 23.58 72.34 21.12 25.28 70.92 20.20 26.19 70.72 21.42 3 0 1000.00-999 ?-999 ?-999 ? mVAL^B 47 22.95 70.29 20.42 23.30 69.49 19.93 21.39 69.51 22.07 21.29 68.30 21.90 21.57 70.44 20.88 20.58 70.06 19.77 3 0 1000.00-999 ?-999 ?-999 ? mPRO.B 48 21.36 70.09 23.28 21.31 71.08 23.26 20.27 68.31 24.68 20.51 67.18 25.12 21.41 69.30 24.52 21.35 70.37 25.61 3 0 1000.00-999 ?-999 ?-999 ? mTYR.B 49 19.05 68.70 24.34 19.00 69.61 23.92 18.03 66.52 23.80 17.60 65.46 24.27 17.90 67.83 24.58 16.60 68.53 24.22 3 0 1000.00-999 ?-999 ?-999 ? mGLU.B 50 18.64 66.60 22.62 19.00 67.51 22.41 20.16 64.82 21.77 20.40 63.83 21.07 18.77 65.45 21.73 18.47 65.87 20.29 2 0 1000.00-999 ?-999 ?-999 ? mSER.B 51 21.06 65.39 22.56 20.70 66.09 23.17 22.96 65.04 21.05 23.76 64.21 20.63 22.46 64.99 22.50 22.64 63.58 23.05 2 0 1000.00-999 ?-999 ?-999 ? mGLY^B 52 22.49 66.04 20.30 21.93 66.70 20.79 23.96 67.04 18.59 23.85 68.26 18.64 22.78 66.13 18.89-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mLEU^B 53 25.09 66.43 18.26 25.05 65.44 18.25 26.43 67.31 16.43 26.65 66.31 15.75 26.27 67.21 17.94 27.52 66.56 18.55 3 0 1000.00-999 ?-999 ?-999 ? mSER^B 54 26.30 68.52 15.91 26.04 69.24 16.56 27.96 69.25 14.29 28.34 70.28 14.85 26.54 68.74 14.49 25.53 69.75 13.92 2 0 1000.00-999 ?-999 ?-999 ? mLEU^B 55 28.74 68.53 13.50 28.35 67.64 13.24 29.90 69.46 11.61 29.67 68.64 10.72 30.04 69.01 13.05 31.09 67.91 13.17 3 0 1000.00-999 ?-999 ?-999 ? mPHE^B 56 30.02 70.76 11.37 30.21 71.32 12.18 31.22 71.36 9.34 32.20 71.88 9.88 29.88 71.31 10.04 29.23 72.70 10.07 3 0 1000.00-999 ?-999 ?-999 ? mPHE^B 57 31.26 70.81 8.14 30.41 70.36 7.86 32.07 71.40 5.95 30.91 71.36 5.55 32.45 70.86 7.31 33.03 69.46 7.11 3 0 1000.00-999 ?-999 ?-999 ? mASP^B 58 33.07 71.90 5.23 33.90 72.07 5.75 33.62 71.07 3.04 34.80 70.78 3.27 32.93 72.18 3.82 33.56 73.52 3.48 2 0 1000.00-999 ?-999 ?-999 ? mLYS^B 59 32.89 70.45 2.12 31.93 70.69 2.12 33.26 69.88 -0.25 32.12 69.93 -0.72 33.50 69.48 1.20 32.96 68.07 1.45 2 0 1000.00-999 ?-999 ?-999 ? mASN.B 60 34.34 70.16 -0.97 35.20 70.08 -0.47 33.21 71.67 -2.59 32.39 71.58 -3.51 34.24 70.57 -2.37 33.88 69.37 -3.25 2 0 1000.00-999 ?-999 ?-999 ? mGLY.B 61 33.21 72.68 -1.73 33.83 72.58 -0.96 30.99 73.85 -1.29 30.30 74.87 -1.31 32.36 73.85 -1.94-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mSER^B 62 30.58 72.72 -0.71 31.23 71.96 -0.76 29.36 72.25 1.39 30.13 71.35 1.75 29.26 72.66 -0.07 28.33 71.72 -0.83 2 0 1000.00-999 ?-999 ?-999 ? mGLU^B 63 28.59 72.92 2.24 28.03 73.62 1.81 27.88 71.29 3.96 26.78 71.04 3.48 28.58 72.62 3.67 27.90 73.75 4.44 2 0 1000.00-999 ?-999 ?-999 ? mARG^B 64 28.55 70.45 4.73 29.47 70.75 4.97 27.77 69.23 6.69 28.59 69.77 7.43 27.98 69.19 5.19 28.90 68.02 4.85 2 0 1000.00-999 ?-999 ?-999 ? mGLN^B 65 26.66 68.66 7.14 26.05 68.32 6.41 26.62 67.10 8.96 25.84 66.21 8.61 26.37 68.53 8.56 24.91 68.90 8.83 2 0 1000.00-999 ?-999 ?-999 ? mILE^B 66 27.71 66.86 9.68 28.31 67.65 9.81 27.25 65.41 11.55 27.59 66.08 12.53 27.96 65.53 10.21 29.46 65.25 10.34 3 0 1000.00-999 ?-999 ?-999 ? mMETB 67 26.25 64.54 11.57 26.21 63.97 10.75 25.74 63.33 13.63 25.67 62.15 13.31 25.29 64.42 12.65 23.95 64.01 12.01 2 0 1000.00-999 ?-999 ?-999 ? mLEU^B 68 26.21 63.72 14.81 26.23 64.71 14.95 25.76 62.78 17.03 25.76 63.75 17.78 26.66 62.74 15.80 28.11 63.00 16.22 3 0 1000.00-999 ?-999 ?-999 ? mCYH^B 69 24.99 61.72 17.24 25.00 61.03 16.51 25.08 61.07 19.56 25.55 59.92 19.50 24.19 61.62 18.44 22.97 60.73 18.24 2 0 1000.00-999 ?-999 ?-999 ? mVAL.B 70 25.33 61.90 20.56 24.80 62.75 20.56 25.75 60.64 22.63 25.53 61.04 23.77 26.33 61.55 21.55 27.01 62.81 22.14 3 0 1000.00-999 ?-999 ?-999 ? mARG.B 71 25.48 59.40 22.22 25.64 59.25 21.25 25.64 57.04 22.66 25.99 56.91 21.48 24.98 58.35 23.11 23.44 58.27 23.06 2 0 1000.00-999 ?-999 ?-999 ? mPRO.B 72 25.83 56.09 23.59 25.42 56.31 24.48 25.99 54.06 22.13 26.75 53.43 21.40 26.56 54.85 23.31 26.41 54.05 24.61 3 0 1000.00-999 ?-999 ?-999 ? mGLU.B 73 24.67 54.11 21.96 24.18 54.67 22.63 24.47 53.92 19.52 24.47 53.19 18.53 24.02 53.41 20.87 22.49 53.55 20.99 2 0 1000.00-999 ?-999 ?-999 ? mPHE.B 74 24.83 55.20 19.48 24.91 55.63 20.38 26.55 56.32 18.10 27.42 55.47 17.89 25.09 55.90 18.24 24.13 57.09 18.09 3 0 1000.00-999 ?-999 ?-999 ? mGLN~B 75 26.82 57.62 18.23 26.07 58.18 18.58 28.97 58.71 19.03 29.88 59.51 18.80 28.15 58.14 17.88 28.03 59.18 16.76 2 0 1000.00-999 ?-999 ?-999 ? mMETB 76 28.66 58.31 20.25 27.86 57.71 20.31 30.95 58.37 21.25 31.83 59.19 21.53 29.46 58.74 21.40 28.93 58.15 22.69 2 0 1000.00-999 ?-999 ?-999 ? mGLU~B 77 31.24 57.14 20.83 30.45 56.55 20.68 33.38 57.71 19.69 34.52 58.09 19.98 32.63 56.73 20.61 32.73 55.28 20.12 2 0 1000.00-999 ?-999 ?-999 ? mILE~B 78 32.73 58.12 18.61 31.82 57.71 18.50 33.48 60.48 18.30 34.57 61.06 18.25 33.31 59.09 17.68 32.44 59.22 16.41 3 0 1000.00-999 ?-999 ?-999 ? mALA~B 79 32.40 61.01 18.87 31.59 60.43 18.82 33.49 62.44 20.61 34.07 63.51 20.80 32.43 62.32 19.51 31.06 62.64 20.11 2 0 1000.00-999 ?-999 ?-999 ? mHIS~B 80 33.71 61.35 21.33 33.21 60.55 21.01 36.06 61.02 22.11 36.93 61.04 22.98 34.61 61.35 22.47 34.11 60.36 23.52 3 0 1000.00-999 ?-999 ?-999 ? mHIS~B 81 36.32 60.70 20.84 35.53 60.77 20.23 37.90 60.77 18.98 38.23 59.98 18.09 37.66 60.29 20.40 37.80 58.76 20.45 3 0 1000.00-999 ?-999 ?-999 ? mLEU~B 82 37.73 62.07 18.74 37.60 62.63 19.56 39.08 62.42 16.68 39.12 62.30 15.46 37.74 62.59 17.38 37.28 64.04 17.35 3 0 1000.00-999 ?-999 ?-999 ? mASP~B 83 40.17 62.38 17.44 40.02 62.50 18.42 41.70 60.73 16.32 42.69 60.45 15.64 41.48 62.17 16.81 42.64 62.65 17.70 2 0 1000.00-999 ?-999 ?-999 ? mSER~B 84 40.78 59.82 16.65 40.11 60.13 17.33 40.16 58.51 14.65 40.29 57.55 13.89 40.80 58.49 16.05 40.08 57.47 16.93 2 0 1000.00-999 ?-999 ?-999 ? mTYR.B 85 39.45 59.59 14.34 39.52 60.33 15.00 39.10 60.76 12.17 38.93 60.67 10.96 38.65 59.66 13.11 37.15 59.81 13.45 3 0 1000.00-999 ?-999 ?-999 ? mPHE^B 86 39.69 61.81 12.74 39.82 61.72 13.73 41.55 63.33 12.27 41.96 63.36 13.42 40.10 62.98 11.98 39.23 64.18 12.36 3 0 1000.00-999 ?-999 ?-999 ? mCYH^B 87 42.32 63.56 11.22 41.87 63.39 10.35 43.91 65.33 10.60 43.53 65.45 9.48 43.69 64.03 11.34 44.65 62.96 10.80 2 0 1000.00-999 ?-999 ?-999 ? mLYS^B 88 44.55 66.27 11.24 44.77 66.04 12.19 45.67 67.32 9.31 46.58 66.57 9.27 44.90 67.53 10.62 45.67 68.41 11.60 2 0 1000.00-999 ?-999 ?-999 ? mLEU.B 89 45.23 67.97 8.26 44.50 68.60 8.49 45.02 66.85 5.98 44.90 67.10 4.80 45.74 67.82 6.89 47.20 67.48 6.86 3 0 1000.00-999 ?-999 ?-999 ?