HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 31-JUL-08 3E0H COMPND UNCHARACTERIZED PROTEIN; COMPND 3 CHAIN: A; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: CHLOROBACULUM TEPIDUM; SOURCE 3 ORGANISM_TAXID: 1097; SOURCE 4 GENE: CT0179; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 6 EXPRESSION_SYSTEM_VECTOR_TYPE: PET 21 AUTHOR J.SEETHARAMAN,Y.CHEN,H.WANG,H.JANJUA,E.L.FOOTE,R.XIAO, AUTHOR 2 R.NAIR,T.B.ACTON,B.ROST,G.T.MONTELIONE,J.F.HUNT,L.TONG, AUTHOR 3 NORTHEAST STRUCTURAL GENOMICS CONSORTIUM (NESG) HET MSE A 28 8 HET MSE A 64 8 HET MSE A 117 8 HET MSE A 154 8 mGLN.A 6 46.49 38.99 -20.13 45.95 38.41 -20.74 47.04 39.57 -17.77 47.69 40.15 -16.89 47.30 39.86 -19.24 47.01 41.33 -19.53 2 0 1000.00-999 ?-999 ?-999 ? mPHE.A 7 46.08 38.69 -17.50 45.63 38.33 -18.31 45.85 36.80 -16.01 45.36 36.07 -16.87 45.74 38.31 -16.14 44.31 38.74 -15.79 3 0 1000.00-999 ?-999 ?-999 ? mVAL.A 8 46.51 36.33 -14.96 46.89 37.03 -14.36 45.48 34.50 -13.83 45.37 34.97 -12.71 46.63 34.91 -14.73 47.97 34.56 -14.05 3 0 1000.00-999 ?-999 ?-999 ? mCYH^A 9 44.60 33.64 -14.34 44.81 33.34 -15.27 43.61 31.71 -13.20 44.06 30.92 -14.02 43.44 33.17 -13.58 42.16 33.36 -14.39 2 0 1000.00-999 ?-999 ?-999 ? mGLU^A 10 43.23 31.36 -11.98 42.85 32.12 -11.44 42.18 29.49 -10.68 41.48 30.25 -10.02 43.35 30.00 -11.47 44.56 29.88 -10.53 2 0 1000.00-999 ?-999 ?-999 ? mLEU^A 11 41.99 28.17 -10.72 42.61 27.68 -11.32 41.60 27.28 -8.57 42.68 26.69 -8.51 40.95 27.53 -9.93 40.53 26.19 -10.53 3 0 1000.00-999 ?-999 ?-999 ? mLYS^A 12 40.97 27.72 -7.50 40.10 28.18 -7.68 40.48 27.01 -5.19 39.31 27.41 -5.24 41.53 27.52 -6.17 42.11 28.84 -5.64 2 0 1000.00-999 ?-999 ?-999 ? mGLU^A 13 40.91 26.10 -4.32 41.87 25.85 -4.45 40.40 26.27 -2.02 41.45 26.01 -1.43 40.05 25.52 -3.29 40.35 24.04 -3.10 2 0 1000.00-999 ?-999 ?-999 ? mLEU^A 14 39.54 27.18 -1.59 38.72 27.27 -2.14 39.51 27.22 0.91 38.43 26.65 1.07 39.82 27.96 -0.39 39.02 29.27 -0.43 3 0 1000.00-999 ?-999 ?-999 ? mALA.A 15 40.46 27.23 1.84 41.29 27.72 1.56 39.89 27.72 4.08 40.53 28.76 4.12 40.30 26.59 3.14 41.63 25.97 3.60 2 0 1000.00-999 ?-999 ?-999 ? mPRO.A 16 38.82 27.51 4.87 38.38 26.62 4.77 39.12 28.63 7.11 39.50 27.62 7.67 38.37 28.56 5.79 36.90 28.20 5.99 3 0 1000.00-999 ?-999 ?-999 ? mVAL.A 17 39.34 29.85 7.59 39.00 30.58 7.00 39.15 31.06 9.61 38.29 31.68 9.01 40.01 30.07 8.86 41.42 30.68 8.68 3 0 1000.00-999 ?-999 ?-999 ? mPRO^A 18 39.33 31.19 10.94 40.05 30.60 11.31 38.63 33.56 11.29 39.67 33.99 10.81 38.53 32.12 11.75 39.10 31.93 13.15 3 0 1000.00-999 ?-999 ?-999 ? mALA^A 19 37.54 34.31 11.47 36.77 33.82 11.88 36.58 36.50 11.97 35.65 35.94 12.56 37.52 35.72 11.09 37.06 35.89 9.65 2 0 1000.00-999 ?-999 ?-999 ? mLEU^A 20 36.83 37.80 12.07 37.67 38.09 11.61 35.35 39.48 11.64 36.08 40.03 10.82 35.95 38.70 12.80 36.72 39.62 13.73 3 0 1000.00-999 ?-999 ?-999 ? mLEU^A 21 34.02 39.53 11.57 33.54 39.10 12.33 32.16 41.06 10.77 31.64 41.04 11.88 33.35 40.18 10.45 32.84 39.10 9.49 3 0 1000.00-999 ?-999 ?-999 ? mILE^A 22 31.75 41.79 9.76 32.33 41.72 8.94 29.85 42.18 8.55 30.41 42.21 7.45 30.57 42.63 9.81 30.91 44.13 9.73 3 0 1000.00-999 ?-999 ?-999 ? mARG^A 23 28.62 41.70 8.72 28.31 41.69 9.67 26.60 42.13 7.52 25.79 42.14 8.45 27.83 41.24 7.59 27.38 39.80 7.80 2 0 1000.00-999 ?-999 ?-999 ? mTHR^A 24 26.47 42.87 6.43 27.18 42.75 5.74 24.94 43.94 4.85 25.47 43.26 3.98 25.34 43.78 6.30 25.72 45.16 6.90 2 0 1000.00-999 ?-999 ?-999 ? mGLN^A 25 23.96 44.80 4.60 23.58 45.23 5.42 23.75 46.58 3.11 23.51 47.34 4.05 23.51 45.09 3.25 22.03 44.73 3.09 2 0 1000.00-999 ?-999 ?-999 ? mTHR^A 26 24.22 47.01 1.95 24.35 46.31 1.25 24.31 48.87 0.33 24.08 48.06 -0.56 24.51 48.42 1.77 25.96 48.72 2.18 2 0 1000.00-999 ?-999 ?-999 ? mTHR~A 27 24.40 50.17 0.12 24.55 50.71 0.95 25.64 51.36 -1.49 26.42 51.61 -0.58 24.27 50.75 -1.21 23.20 51.86 -1.24 2 0 1000.00-999 ?-999 ?-999 ? mMETA 28 25.94 51.60 -2.76 25.22 51.36 -3.41 27.62 53.46 -2.42 28.77 53.63 -2.03 27.23 52.17 -3.15 27.28 52.41 -4.66 2 0 1000.00-999 ?-999 ?-999 ? mSER~A 29 26.66 54.36 -2.25 25.76 54.10 -2.60 27.38 55.53 -0.12 28.01 56.44 0.41 26.96 55.63 -1.59 25.76 56.59 -1.70 2 0 1000.00-999 ?-999 ?-999 ? mGLU~A 30 27.03 54.42 0.53 26.54 53.75 -0.03 28.57 53.31 2.16 29.14 53.27 3.25 27.36 54.22 1.94 26.15 53.62 2.66 2 0 1000.00-999 ?-999 ?-999 ? mLEU~A 31 28.97 52.58 1.12 28.44 52.74 0.29 31.38 52.18 1.80 31.98 51.55 2.66 30.08 51.64 1.22 30.36 51.02 -0.16 3 0 1000.00-999 ?-999 ?-999 ? mGLY~A 32 31.81 53.34 1.32 31.23 53.75 0.62 33.06 54.12 3.30 33.98 53.67 3.98 33.05 53.92 1.80-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mSER~A 33 32.03 54.79 3.82 31.35 55.07 3.14 31.73 53.79 6.05 32.14 53.71 7.20 31.92 55.07 5.25 30.74 56.02 5.51 2 0 1000.00-999 ?-999 ?-999 ? mLEU~A 34 31.09 52.81 5.44 30.80 53.02 4.51 32.17 50.84 6.38 32.42 50.40 7.50 30.84 51.53 6.11 29.95 50.65 5.22 3 0 1000.00-999 ?-999 ?-999 ? mPHE~A 35 33.01 50.75 5.35 32.67 51.16 4.51 35.21 50.85 6.47 35.86 50.25 7.33 34.32 50.10 5.48 35.05 50.04 4.14 3 0 1000.00-999 ?-999 ?-999 ? mGLU~A 36 35.22 52.17 6.36 34.63 52.54 5.64 35.76 52.70 8.71 36.67 52.39 9.47 36.04 52.99 7.24 35.79 54.47 6.96 2 0 1000.00-999 ?-999 ?-999 ? mALA~A 37 34.50 52.82 9.09 33.87 53.08 8.36 34.17 51.13 10.89 34.61 50.82 12.00 34.09 52.59 10.47 32.66 53.12 10.68 2 0 1000.00-999 ?-999 ?-999 ? mGLY~A 38 33.74 50.22 10.01 33.43 50.59 9.14 35.11 48.16 10.52 35.30 47.40 11.46 33.74 48.81 10.35-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mTYR~A 39 36.05 48.42 9.62 35.77 49.02 8.87 38.04 48.40 11.03 38.81 47.71 11.71 37.39 47.84 9.77 38.26 48.16 8.55 3 0 1000.00-999 ?-999 ?-999 ? mHIS~A 40 37.75 49.65 11.35 37.14 50.12 10.71 37.72 49.55 13.77 38.43 49.24 14.73 38.30 50.26 12.55 37.98 51.75 12.60 3 0 1000.00-999 ?-999 ?-999 ? mASP~A 41 36.40 49.32 13.73 35.97 49.65 12.89 36.40 47.31 15.11 36.81 47.05 16.23 35.68 48.63 14.80 34.24 48.35 14.36 2 0 1000.00-999 ?-999 ?-999 ? mILE~A 42 36.54 46.47 14.08 36.16 46.82 13.22 38.59 45.30 14.80 38.95 44.57 15.71 37.20 45.17 14.21 37.30 44.47 12.83 3 0 1000.00-999 ?-999 ?-999 ? mLEU~A 43 39.37 46.25 14.30 38.95 46.79 13.57 40.77 46.88 16.27 41.59 46.38 17.05 40.73 46.45 14.80 41.45 47.50 13.95 3 0 1000.00-999 ?-999 ?-999 ? mGLN~A 44 39.88 47.79 16.64 39.25 48.11 15.93 39.38 47.16 18.95 39.83 47.05 20.09 39.87 48.27 18.02 39.01 49.53 18.16 2 0 1000.00-999 ?-999 ?-999 ? mLEU~A 45 38.46 46.34 18.45 38.16 46.55 17.52 39.09 44.27 19.54 39.22 43.78 20.65 37.94 45.23 19.24 36.83 44.51 18.48 3 0 1000.00-999 ?-999 ?-999 ? mLEU~A 46 39.90 43.99 18.52 39.68 44.44 17.66 42.04 43.71 19.66 42.51 43.04 20.59 41.03 43.09 18.70 41.70 42.79 17.35 3 0 1000.00-999 ?-999 ?-999 ? mALA~A 47 42.36 44.98 19.45 41.90 45.40 18.67 42.85 45.66 21.76 43.65 45.45 22.67 43.30 45.69 20.31 43.46 47.15 19.84 2 0 1000.00-999 ?-999 ?-999 ? mGLY~A 48 41.55 45.86 21.98 41.01 46.02 21.15 41.23 44.50 24.01 41.29 44.42 25.23 41.01 45.84 23.32-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mGLN~A 49 41.33 43.44 23.22 41.24 43.65 22.24 43.01 41.73 23.71 43.38 40.58 23.97 41.53 42.10 23.75 40.72 41.08 22.94 2 0 1000.00-999 ?-999 ?-999 ? mGLY.A 50 43.85 42.71 23.40 43.42 43.60 23.22 45.70 41.61 22.15 46.74 40.96 22.19 45.28 42.48 23.32-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mLYS.A 51 44.88 41.61 21.09 44.07 42.19 21.19 45.23 41.64 18.63 44.99 42.85 18.63 45.18 40.81 19.91 44.14 39.71 19.74 2 0 1000.00-999 ?-999 ?-999 ? mSER.A 52 45.55 40.98 17.52 45.74 40.01 17.66 45.18 40.65 15.15 45.08 39.44 15.41 45.62 41.64 16.22 47.06 42.11 15.94 2 0 1000.00-999 ?-999 ?-999 ? mPRO.A 53 44.91 41.14 13.93 45.02 42.12 13.83 45.60 39.28 12.52 46.76 39.53 12.85 44.48 40.25 12.85 44.20 41.21 11.70 3 0 1000.00-999 ?-999 ?-999 ? mSER.A 54 45.27 38.17 11.86 44.29 38.09 11.66 46.41 37.10 9.97 47.16 36.27 9.45 46.27 37.18 11.49 45.89 35.80 12.05 2 0 1000.00-999 ?-999 ?-999 ? mGLY.A 55 45.69 37.97 9.28 45.14 38.60 9.83 45.27 39.32 7.27 44.79 40.17 8.01 45.74 37.99 7.83-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mPRO.A 56 45.40 39.54 5.96 45.81 38.78 5.46 43.46 40.95 5.30 42.72 39.97 5.29 44.98 40.79 5.33 45.58 40.68 3.94 3 0 1000.00-999 ?-999 ?-999 ? mPRO.A 57 42.98 42.20 5.30 43.68 42.91 5.32 40.90 42.04 3.97 41.56 41.97 2.93 41.54 42.49 5.27 41.50 44.01 5.46 3 0 1000.00-999 ?-999 ?-999 ? mPHE^A 58 39.61 41.72 4.04 39.20 41.82 4.94 37.44 41.68 2.88 36.94 42.15 3.90 38.89 41.27 2.85 38.97 39.75 2.73 3 0 1000.00-999 ?-999 ?-999 ? mALA^A 59 36.77 41.49 1.76 37.32 41.13 1.01 34.73 40.81 0.66 35.36 40.42 -0.33 35.36 41.79 1.64 35.15 43.24 1.17 2 0 1000.00-999 ?-999 ?-999 ? mARG^A 60 33.52 40.38 0.96 33.19 40.72 1.84 31.55 40.31 -0.37 30.85 40.90 0.45 32.74 39.48 0.11 32.23 38.28 0.91 2 0 1000.00-999 ?-999 ?-999 ? mTYR^A 61 31.30 40.32 -1.68 31.94 39.77 -2.21 29.20 40.16 -2.94 29.59 39.24 -3.68 30.19 41.08 -2.27 30.72 42.07 -3.31 3 0 1000.00-999 ?-999 ?-999 ? mPHE^A 62 27.91 40.43 -2.75 27.74 41.23 -2.18 25.63 40.46 -3.65 25.06 41.08 -2.76 26.85 39.60 -3.32 26.49 38.52 -2.29 3 0 1000.00-999 ?-999 ?-999 ? mGLY.A 63 25.24 40.49 -4.92 25.79 39.94 -5.55 24.44 42.30 -6.39 25.53 42.25 -6.96 24.08 41.28 -5.32-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mMETA 64 23.53 43.23 -6.67 22.69 43.17 -6.13 24.27 45.56 -7.11 23.66 46.12 -6.20 23.78 44.24 -7.69 22.51 44.50 -8.50 2 0 1000.00-999 ?-999 ?-999 ? mSER.A 65 25.39 46.04 -7.64 25.78 45.48 -8.37 24.97 48.44 -7.39 25.04 49.46 -6.71 25.97 47.30 -7.18 27.25 47.60 -7.96 2 0 1000.00-999 ?-999 ?-999 ? mALA.A 66 24.05 48.25 -8.32 24.11 47.37 -8.78 22.01 49.45 -7.52 21.37 50.49 -7.43 23.05 49.26 -8.63 22.34 48.89 -9.94 2 0 1000.00-999 ?-999 ?-999 ? mGLY.A 67 21.84 48.45 -6.67 22.41 47.64 -6.83 21.49 48.31 -4.23 22.58 48.79 -3.94 20.88 48.57 -5.59-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mTHR.A 68 20.77 47.57 -3.39 19.89 47.29 -3.75 21.88 45.85 -2.20 21.21 44.92 -2.63 21.26 47.23 -2.06 20.11 47.16 -1.04 2 0 1000.00-999 ?-999 ?-999 ? mPHE^A 69 23.16 45.72 -1.85 23.59 46.56 -1.51 24.48 43.98 -0.67 24.75 44.76 0.24 23.84 44.46 -1.97 24.90 44.56 -3.07 3 0 1000.00-999 ?-999 ?-999 ? mGLU^A 70 24.69 42.67 -0.58 24.39 42.15 -1.39 26.80 42.35 0.59 27.45 42.24 -0.44 25.30 42.09 0.60 25.05 40.58 0.60 2 0 1000.00-999 ?-999 ?-999 ? mVAL^A 71 27.34 42.71 1.75 26.68 42.81 2.50 29.16 42.38 3.26 28.58 42.75 4.28 28.77 42.93 1.89 29.14 44.43 1.78 3 0 1000.00-999 ?-999 ?-999 ? mGLU^A 72 30.13 41.47 3.28 30.50 41.26 2.38 32.09 41.06 4.50 32.79 40.58 3.60 30.58 40.85 4.52 30.20 39.36 4.51 2 0 1000.00-999 ?-999 ?-999 ? mPHE^A 73 32.60 41.76 5.51 31.94 42.03 6.22 34.66 42.04 6.90 33.99 42.12 7.93 34.01 42.10 5.53 34.19 43.50 4.95 3 0 1000.00-999 ?-999 ?-999 ? mGLY^A 74 35.98 41.91 6.88 36.40 41.87 5.98 38.14 41.36 7.97 38.76 41.54 6.92 36.72 41.83 8.13-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mPHE^A 75 38.66 40.79 9.04 38.04 40.73 9.82 40.06 38.86 9.57 39.26 38.46 10.41 40.02 40.29 9.08 40.88 41.08 10.08 3 0 1000.00-999 ?-999 ?-999 ? mPRO^A 76 41.00 38.06 9.04 41.58 38.47 8.34 41.75 36.85 10.87 42.49 37.81 11.07 41.11 36.68 9.50 42.10 36.07 8.50 3 0 1000.00-999 ?-999 ?-999 ? mVAL.A 77 41.47 35.94 11.79 40.85 35.21 11.49 42.50 34.67 13.59 42.08 33.65 13.04 42.04 36.04 13.13 41.01 36.60 14.15 3 0 1000.00-999 ?-999 ?-999 ? mGLU.A 78 43.37 34.63 14.58 43.63 35.52 14.95 42.76 32.55 15.74 42.87 31.33 15.87 43.87 33.36 15.08 45.02 33.60 16.06 2 0 1000.00-999 ?-999 ?-999 ? mGLY.A 79 41.70 33.23 16.16 41.73 34.21 15.99 40.67 32.74 18.31 41.67 33.22 18.83 40.60 32.54 16.81-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mGLY.A 80 39.60 32.37 19.01 38.85 31.98 18.48 39.20 33.95 20.83 39.12 34.29 22.00 39.58 32.53 20.45-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mVAL.A 81 38.97 34.77 19.81 39.08 34.35 18.91 37.05 36.22 20.02 36.39 35.41 19.38 38.58 36.16 20.01 39.11 37.05 18.87 3 0 1000.00-999 ?-999 ?-999 ? mGLU.A 82 36.49 37.18 20.75 37.13 37.79 21.22 34.51 38.53 20.07 35.15 39.59 20.04 35.04 37.31 20.81 34.56 37.35 22.26 2 0 1000.00-999 ?-999 ?-999 ? mGLY.A 83 33.34 38.37 19.48 32.94 37.45 19.56 32.03 40.39 19.74 31.96 40.10 20.94 32.71 39.46 18.76-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mSER.A 84 31.53 41.51 19.24 31.67 41.62 18.25 30.15 43.47 19.18 30.68 43.87 18.16 30.85 42.48 20.08 31.85 43.22 20.98 2 0 1000.00-999 ?-999 ?-999 ? mGLY.A 85 28.94 43.86 19.58 28.61 43.46 20.44 27.88 44.25 17.40 27.30 43.17 17.25 28.18 44.80 18.78-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mARG.A 86 28.28 44.99 16.37 28.75 45.83 16.63 29.08 43.56 14.49 28.87 42.91 13.47 28.05 44.58 14.99 28.07 45.83 14.10 2 0 1000.00-999 ?-999 ?-999 ? mVAL.A 87 30.18 43.41 15.22 30.20 43.99 16.04 30.96 41.07 15.34 30.74 40.85 16.53 31.25 42.49 14.85 32.60 42.96 15.41 3 0 1000.00-999 ?-999 ?-999 ? mVAL^A 88 30.99 40.11 14.43 31.20 40.43 13.50 31.86 37.79 14.38 32.69 38.13 13.54 30.72 38.72 14.77 29.43 38.21 14.07 3 0 1000.00-999 ?-999 ?-999 ? mTHR^A 89 31.90 36.63 15.02 31.19 36.50 15.71 32.38 34.83 13.51 31.16 34.65 13.38 32.91 35.63 14.69 33.16 34.64 15.86 2 0 1000.00-999 ?-999 ?-999 ? mGLY^A 90 33.26 34.37 12.64 34.22 34.57 12.86 34.04 33.02 10.80 35.09 32.86 11.42 32.83 33.62 11.48-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mLEU^A 91 33.89 32.70 9.51 32.99 32.91 9.13 35.24 32.80 7.44 34.36 33.44 6.88 34.98 32.09 8.76 34.66 30.63 8.45 3 0 1000.00-999 ?-999 ?-999 ? mTHR.A 92 36.46 32.66 6.93 37.10 32.12 7.48 36.13 32.31 4.68 35.76 31.21 5.06 36.78 33.27 5.66 38.31 33.36 5.43 2 0 1000.00-999 ?-999 ?-999 ? mPRO.A 93 35.99 32.69 3.41 36.33 33.60 3.17 35.95 30.38 2.28 37.15 30.17 2.43 35.34 31.76 2.48 35.25 32.57 1.18 3 0 1000.00-999 ?-999 ?-999 ? mSER.A 94 35.08 29.44 1.94 34.13 29.77 1.88 34.87 27.67 0.36 33.90 28.27 -0.09 35.47 28.07 1.70 34.96 27.15 2.81 2 0 1000.00-999 ?-999 ?-999 ? mGLY^A 95 35.44 26.66 -0.27 36.22 26.24 0.20 35.79 26.59 -2.73 36.90 27.10 -2.55 34.92 26.22 -1.55-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mLYS^A 96 35.29 26.34 -3.93 34.37 25.94 -3.91 35.80 28.03 -5.64 34.72 28.57 -5.49 36.02 26.62 -5.16 35.58 25.65 -6.26 2 0 1000.00-999 ?-999 ?-999 ? mALA^A 97 36.81 28.60 -6.28 37.62 28.02 -6.36 37.77 30.15 -7.93 38.81 29.49 -7.96 36.76 29.96 -6.82 37.03 30.97 -5.71 2 0 1000.00-999 ?-999 ?-999 ? mALA^A 98 37.47 31.07 -8.83 36.57 31.50 -8.69 39.06 32.66 -9.35 38.41 33.65 -9.01 38.36 31.42 -9.92 37.57 31.76 -11.19 2 0 1000.00-999 ?-999 ?-999 ? mSER^A 99 40.37 32.60 -9.24 40.80 31.77 -9.58 42.22 34.31 -9.47 42.88 33.61 -10.23 41.09 33.73 -8.65 41.62 33.31 -7.28 2 0 1000.00-999 ?-999 ?-999 ? mSER^A 100 42.43 35.61 -9.32 41.80 36.07 -8.69 44.04 37.40 -9.13 43.33 37.92 -8.27 43.50 36.29 -10.02 42.98 36.89 -11.32 2 0 1000.00-999 ?-999 ?-999 ? mLEU^A 101 45.31 37.74 -9.33 45.79 37.23 -10.03 45.94 40.05 -9.40 46.63 40.08 -10.43 45.90 38.81 -8.53 47.30 38.43 -8.08 3 0 1000.00-999 ?-999 ?-999 ? mTYR^A 102 45.21 41.08 -8.98 44.72 40.90 -8.12 46.06 43.38 -9.05 46.07 43.54 -7.83 45.15 42.33 -9.69 43.71 42.86 -9.68 3 0 1000.00-999 ?-999 ?-999 ? mILE^A 103 46.83 44.08 -9.88 46.76 43.83 -10.85 47.38 46.44 -10.03 47.32 46.51 -11.26 47.71 45.12 -9.35 49.20 44.78 -9.56 3 0 1000.00-999 ?-999 ?-999 ? mGLY.A 104 47.16 47.48 -9.23 47.22 47.29 -8.26 45.74 49.49 -9.02 45.23 48.94 -8.05 46.84 48.78 -9.79-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mPRO~A 105 45.35 50.70 -9.44 45.82 51.05 -10.25 43.02 50.58 -8.69 42.63 49.99 -9.69 44.29 51.41 -8.73 44.14 52.70 -9.53 3 0 1000.00-999 ?-999 ?-999 ? mTYR~A 106 42.39 50.54 -7.53 42.82 51.09 -6.81 40.05 50.09 -8.32 39.31 49.21 -8.74 41.17 49.77 -7.33 40.66 49.98 -5.91 3 0 1000.00-999 ?-999 ?-999 ? mGLY~A 107 39.93 51.36 -8.69 40.60 51.99 -8.29 38.86 51.08 -10.97 37.80 50.98 -11.59 38.89 51.78 -9.61-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mGLU~A 108 40.02 50.60 -11.43 40.79 50.75 -10.81 40.08 48.42 -12.63 40.35 47.72 -13.61 40.14 49.93 -12.72 41.45 50.33 -13.40 2 0 1000.00-999 ?-999 ?-999 ? mILE~A 109 39.65 47.92 -11.48 39.38 48.61 -10.81 38.62 45.68 -12.12 38.72 44.45 -12.19 39.59 46.49 -11.24 39.28 46.23 -9.73 3 0 1000.00-999 ?-999 ?-999 ? mGLU~A 110 37.69 46.35 -12.79 37.71 47.34 -12.66 37.45 44.80 -14.69 36.90 43.80 -15.16 36.73 45.65 -13.65 35.81 46.65 -14.35 2 0 1000.00-999 ?-999 ?-999 ? mALA~A 111 38.67 45.19 -15.05 38.99 46.02 -14.59 39.69 43.01 -15.63 39.53 42.10 -16.46 39.45 44.46 -16.04 40.79 45.16 -16.27 2 0 1000.00-999 ?-999 ?-999 ? mVAL~A 112 40.04 42.78 -14.37 40.11 43.60 -13.79 39.00 40.64 -13.78 39.00 39.43 -13.96 40.30 41.42 -13.91 41.09 41.42 -12.56 3 0 1000.00-999 ?-999 ?-999 ? mTYR~A 113 37.90 41.33 -13.50 38.04 42.32 -13.38 36.18 40.11 -14.73 35.65 39.00 -14.81 36.61 40.67 -13.38 35.55 41.63 -12.84 3 0 1000.00-999 ?-999 ?-999 ? mASP~A 114 36.41 40.90 -15.77 36.82 41.78 -15.55 36.92 39.27 -17.50 36.45 38.35 -18.18 36.06 40.47 -17.11 36.26 41.62 -18.10 2 0 1000.00-999 ?-999 ?-999 ? mALA~A 115 38.18 39.28 -17.08 38.45 40.08 -16.55 38.62 36.91 -16.64 38.57 35.81 -17.20 39.08 38.16 -17.39 40.51 38.52 -17.01 2 0 1000.00-999 ?-999 ?-999 ? mLEU~A 116 38.26 37.09 -15.37 38.34 38.04 -15.05 36.52 35.36 -15.09 36.38 34.14 -15.10 37.80 35.98 -14.56 37.59 36.44 -13.11 3 0 1000.00-999 ?-999 ?-999 ? mMETA 117 35.59 36.19 -15.52 35.81 37.17 -15.46 34.57 34.90 -17.33 33.91 33.90 -17.59 34.34 35.67 -16.04 33.34 36.81 -16.24 2 0 1000.00-999 ?-999 ?-999 ? mLYS~A 118 35.52 35.36 -18.14 35.96 36.20 -17.81 36.44 33.32 -19.05 36.10 32.31 -19.67 35.85 34.69 -19.39 36.87 35.53 -20.17 2 0 1000.00-999 ?-999 ?-999 ? mTRP~A 119 37.31 33.30 -18.04 37.47 34.19 -17.63 36.93 31.05 -17.10 37.02 29.85 -17.39 37.96 32.07 -17.59 38.95 32.38 -16.46 3 0 1000.00-999 ?-999 ?-999 ? mVAL~A 120 35.96 31.54 -16.33 36.01 32.52 -16.17 34.11 30.00 -16.90 33.84 28.81 -16.83 34.92 30.68 -15.79 33.97 31.48 -14.88 3 0 1000.00-999 ?-999 ?-999 ? mASP~A 121 33.73 30.76 -17.91 34.01 31.72 -17.85 33.78 29.11 -19.73 33.27 28.02 -20.02 32.97 30.20 -19.02 32.61 31.30 -20.03 2 0 1000.00-999 ?-999 ?-999 ? mASP~A 122 35.05 29.40 -20.00 35.34 30.31 -19.68 36.31 27.23 -19.89 36.83 26.27 -20.46 35.92 28.47 -20.69 37.19 29.18 -21.16 2 0 1000.00-999 ?-999 ?-999 ? mASN~A 123 36.08 27.25 -18.58 35.65 28.09 -18.23 35.25 25.32 -17.19 35.39 24.56 -16.23 36.43 26.11 -17.73 37.33 26.55 -16.57 2 0 1000.00-999 ?-999 ?-999 ? mGLY.A 124 34.09 25.49 -17.81 34.11 26.15 -18.56 32.38 24.97 -16.01 31.76 24.06 -15.44 32.90 24.76 -17.42-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mPHE.A 125 32.62 26.14 -15.44 33.13 26.79 -16.01 30.99 27.43 -14.13 30.78 28.14 -15.11 32.15 26.44 -14.10 33.28 27.01 -13.25 3 0 1000.00-999 ?-999 ?-999 ? mASP.A 126 30.23 27.45 -13.04 30.50 26.80 -12.33 29.38 29.29 -11.72 29.83 28.84 -10.67 29.10 28.36 -12.90 27.81 27.58 -12.66 2 0 1000.00-999 ?-999 ?-999 ? mLEU^A 127 29.14 30.58 -11.91 28.78 30.80 -12.82 28.32 31.51 -9.78 27.13 31.36 -10.07 29.37 31.58 -10.87 29.36 32.98 -11.48 3 0 1000.00-999 ?-999 ?-999 ? mSER^A 128 28.75 31.63 -8.53 29.74 31.73 -8.43 27.19 33.00 -7.32 26.13 33.18 -6.71 27.81 31.61 -7.42 28.52 31.29 -6.10 2 0 1000.00-999 ?-999 ?-999 ? mGLY^A 129 27.86 33.98 -7.91 28.71 33.70 -8.37 28.15 36.23 -6.88 28.08 37.46 -6.93 27.39 35.36 -7.87-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mGLU^A 130 28.87 35.59 -5.96 28.83 34.60 -6.04 31.10 36.54 -5.36 31.74 35.66 -5.96 29.65 36.31 -4.95 29.60 35.51 -3.63 2 0 1000.00-999 ?-999 ?-999 ? mALA^A 131 31.60 37.73 -5.05 30.95 38.33 -4.58 33.69 38.27 -4.01 33.11 38.77 -3.04 32.97 38.11 -5.35 33.00 39.42 -6.13 2 0 1000.00-999 ?-999 ?-999 ? mTYR^A 132 34.94 37.84 -3.98 35.28 37.49 -4.85 37.04 38.62 -3.08 37.80 38.19 -3.94 35.75 37.90 -2.76 35.99 36.46 -2.29 3 0 1000.00-999 ?-999 ?-999 ? mGLU^A 133 37.27 39.75 -2.42 36.56 40.01 -1.76 39.31 40.56 -1.39 38.77 40.76 -0.29 38.48 40.51 -2.66 38.13 41.95 -3.12 2 0 1000.00-999 ?-999 ?-999 ? mILE^A 134 40.61 40.33 -1.54 40.87 40.13 -2.48 42.46 41.59 -0.68 43.11 41.68 -1.72 41.56 40.37 -0.43 42.41 39.10 -0.38 3 0 1000.00-999 ?-999 ?-999 ? mTYR^A 135 42.45 42.53 0.25 41.88 42.33 1.05 44.59 43.58 0.74 44.77 43.85 1.92 43.23 43.75 0.09 42.46 44.92 0.70 3 0 1000.00-999 ?-999 ?-999 ? mLEU.A 136 45.54 43.11 -0.06 45.24 42.96 -1.00 47.62 44.13 0.80 48.36 44.13 1.77 46.89 42.86 0.40 47.67 42.09 -0.67 3 0 1000.00-999 ?-999 ?-999 ? mASP.A 137 47.40 45.20 0.05 46.78 45.06 -0.72 47.00 47.50 0.76 45.86 47.44 0.33 48.05 46.47 0.36 48.83 47.00 -0.85 2 0 1000.00-999 ?-999 ?-999 ? mASN.A 138 47.41 48.43 1.62 48.36 48.34 1.91 46.79 50.66 1.14 47.92 51.14 1.06 46.51 49.48 2.06 46.80 49.85 3.52 2 0 1000.00-999 ?-999 ?-999 ? mPRO.A 139 45.75 51.15 0.44 44.89 50.67 0.60 46.40 53.57 0.13 46.79 54.50 -0.58 45.88 52.28 -0.49 44.47 52.43 -1.04 3 0 1000.00-999 ?-999 ?-999 ? mALA.A 140 46.42 53.63 1.46 46.09 52.81 1.93 48.40 54.96 2.07 48.94 56.07 2.01 46.89 54.83 2.14 46.44 54.81 3.60 2 0 1000.00-999 ?-999 ?-999 ? mGLU.A 141 49.10 53.83 2.07 48.55 52.99 2.09 51.19 53.07 0.87 52.34 52.65 0.95 50.56 53.85 2.02 51.12 53.32 3.34 2 0 1000.00-999 ?-999 ?-999 ? mTHR.A 142 50.42 52.86 -0.20 49.50 53.23 -0.13 50.54 52.85 -2.64 49.38 53.25 -2.81 50.93 52.13 -1.36 50.37 50.69 -1.41 2 0 1000.00-999 ?-999 ?-999 ? mALA~A 143 51.50 53.03 -3.53 52.39 52.66 -3.26 50.32 52.85 -5.65 50.48 51.63 -5.73 51.25 53.70 -4.80 52.56 53.94 -5.53 2 0 1000.00-999 ?-999 ?-999 ? mPRO~A 144 49.33 53.48 -6.31 49.32 54.47 -6.16 48.94 51.65 -8.00 48.45 50.53 -7.95 48.36 52.79 -7.17 47.83 53.93 -8.05 3 0 1000.00-999 ?-999 ?-999 ? mASP~A 145 50.01 51.95 -8.74 50.30 52.90 -8.65 51.17 49.72 -8.87 51.44 48.70 -9.49 50.67 50.97 -9.60 51.85 51.64 -10.31 2 0 1000.00-999 ?-999 ?-999 ? mGLN~A 146 51.28 49.80 -7.55 51.02 50.68 -7.16 50.70 48.08 -5.84 50.99 47.16 -5.08 51.76 48.66 -6.78 53.00 49.05 -5.97 2 0 1000.00-999 ?-999 ?-999 ? mLEU.A 147 49.49 48.62 -5.90 49.40 49.35 -6.58 47.89 46.78 -5.48 47.32 46.64 -6.56 48.41 48.15 -5.04 47.26 49.17 -5.07 3 0 1000.00-999 ?-999 ?-999 ? mARG^A 148 48.07 45.78 -4.63 48.54 46.04 -3.78 46.25 44.12 -4.34 45.97 44.44 -3.19 47.61 44.44 -4.94 48.61 43.41 -4.43 2 0 1000.00-999 ?-999 ?-999 ? mTHR^A 149 45.41 43.48 -5.13 45.76 43.33 -6.06 43.88 41.65 -5.28 43.95 41.46 -6.50 44.09 43.03 -4.70 42.97 43.96 -5.18 2 0 1000.00-999 ?-999 ?-999 ? mARG^A 150 43.69 40.67 -4.41 43.73 40.96 -3.45 41.90 39.23 -5.07 41.11 39.41 -4.14 43.42 39.30 -4.83 43.87 38.35 -3.70 2 0 1000.00-999 ?-999 ?-999 ? mVAL^A 151 41.51 39.01 -6.32 42.26 38.90 -6.98 39.70 37.49 -6.97 40.40 36.77 -7.68 40.09 38.93 -6.69 39.76 39.78 -7.95 3 0 1000.00-999 ?-999 ?-999 ? mSER^A 152 38.57 37.06 -6.43 38.09 37.75 -5.88 36.59 35.65 -6.79 35.84 36.23 -6.01 38.10 35.70 -6.62 38.49 34.82 -5.43 2 0 1000.00-999 ?-999 ?-999 ? mLEU^A 153 36.14 34.96 -7.83 36.85 34.57 -8.42 34.36 33.43 -7.55 34.92 32.42 -8.00 34.71 34.82 -8.07 34.39 34.92 -9.58 3 0 1000.00-999 ?-999 ?-999 ? mMETA 154 33.46 33.38 -6.59 33.08 34.27 -6.30 32.34 31.24 -7.04 31.59 31.75 -7.86 33.07 32.10 -6.02 32.24 32.30 -4.74 2 0 1000.00-999 ?-999 ?-999 ? mLEU^A 155 32.58 29.94 -7.00 33.20 29.65 -6.27 30.97 28.00 -7.40 31.07 27.58 -6.24 31.96 29.02 -7.96 33.06 28.26 -8.71 3 0 1000.00-999 ?-999 ?-999 ? mHIS.A 156 30.01 27.62 -8.24 30.05 28.08 -9.13 29.63 25.26 -8.26 30.83 25.16 -8.46 29.01 26.61 -7.90 27.74 26.79 -8.74 3 0 1000.00-999 ?-999 ?-999 ? mGLU.A 157 28.79 24.24 -8.38 27.83 24.46 -8.21 28.27 22.08 -9.54 28.03 20.91 -9.24 29.27 22.90 -8.73 29.67 22.16 -7.45 2 0 1000.00-999 ?-999 ?-999 ? mSER.A 158 27.70 22.70 -10.57 28.00 23.65 -10.68 26.57 22.81 -12.75 26.84 22.23 -13.83 26.74 22.04 -11.45 25.39 21.91 -10.75 2 0 1000.00-999 ?-999 ?-999 ?