HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 06-SEP-07 2R6U COMPND UNCHARACTERIZED PROTEIN; COMPND 3 CHAIN: A, B, C, D; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: RHODOCOCCUS SP.; SOURCE 3 ORGANISM_TAXID: 101510; SOURCE 4 STRAIN: RHA1; SOURCE 5 GENE: RHA04853, RHA1_RO04536; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21; SOURCE 7 EXPRESSION_SYSTEM_TAXID: 511693; SOURCE 8 EXPRESSION_SYSTEM_STRAIN: BL21; SOURCE 9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 10 EXPRESSION_SYSTEM_PLASMID: PDM68 AUTHOR R.ZHANG,X.XU,J.GU,A.SAVCHENKO,A.M.EDWARDS,A.JOACHIMIAK,MIDWEST CENTER AUTHOR 2 FOR STRUCTURAL GENOMICS (MCSG) mLEU.A -4 -0.90 44.99 13.06 -1.04 45.57 12.26 -0.94 42.65 13.91 -2.03 42.28 13.45 -0.70 44.12 14.27 -1.63 44.55 15.41 3 0 1000.00-999 ?-999 ?-999 ? mTYR.A -3 0.09 41.82 14.07 0.93 42.28 14.37 1.01 39.62 14.69 1.96 40.19 15.22 -0.01 40.37 13.84 0.19 40.03 12.36 3 0 1000.00-999 ?-999 ?-999 ? mPHE.A -2 0.81 38.31 14.77 0.13 37.96 14.12 2.12 36.24 15.00 1.90 36.03 13.81 1.53 37.46 15.71 0.55 37.06 16.81 3 0 1000.00-999 ?-999 ?-999 ? mGLN.A -1 2.92 35.44 15.71 3.16 35.80 16.61 2.26 33.16 15.34 2.18 32.47 16.36 3.38 34.17 15.18 4.62 33.66 15.94 2 0 1000.00-999 ?-999 ?-999 ? mGLY.A 0 1.37 33.08 14.35 1.58 33.65 13.55 -0.67 32.67 15.63 -0.78 33.87 15.92 0.19 32.22 14.46-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mMET.A 1 -1.24 31.69 16.33 -1.06 30.77 15.97 -1.19 31.79 18.76 -1.71 31.73 19.87 -2.04 31.96 17.51 -3.25 31.02 17.57 2 0 1000.00-999 ?-999 ?-999 ? mTHR.A 2 0.12 31.69 18.56 0.42 31.83 17.61 1.54 32.69 20.32 1.34 33.83 19.83 1.03 31.41 19.65 2.27 30.58 19.17 2 0 1000.00-999 ?-999 ?-999 ? mGLY.A 3 2.24 32.50 21.41 2.25 31.57 21.77 2.13 34.35 23.06 2.65 35.27 23.67 2.94 33.61 22.01-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mARG.A 4 0.89 33.95 23.30 0.59 33.16 22.76 0.50 34.30 25.68 0.91 33.18 25.94 0.05 34.65 24.28 -1.43 34.27 24.14 2 0 1000.00-999 ?-999 ?-999 ? mILE^A 5 0.44 35.27 26.59 0.26 36.18 26.20 -0.72 34.50 28.57 -1.74 35.21 28.56 0.61 35.01 28.02 1.04 36.26 28.76 3 0 1000.00-999 ?-999 ?-999 ? mVAL^A 6 -0.72 33.21 28.95 0.19 32.81 29.04 -2.08 31.92 30.62 -3.14 31.37 30.98 -1.93 32.47 29.21 -2.06 31.26 28.22 3 0 1000.00-999 ?-999 ?-999 ? mHIS^A 7 -1.05 32.07 31.43 -0.31 32.64 31.08 0.05 32.09 33.56 0.98 32.72 33.04 -1.04 31.43 32.73 -0.74 29.95 32.51 3 0 1000.00-999 ?-999 ?-999 ? mPHE^A 8 -0.10 31.97 34.87 -0.96 31.54 35.15 1.09 31.43 36.91 0.17 30.65 37.18 0.93 32.44 35.79 0.57 33.81 36.40 3 0 1000.00-999 ?-999 ?-999 ? mGLU^A 9 2.23 31.50 37.59 2.90 32.15 37.21 3.07 31.57 39.88 3.97 32.34 39.63 2.49 30.69 38.79 3.44 29.56 38.48 2 0 1000.00-999 ?-999 ?-999 ? mILE^A 10 2.54 31.43 41.08 1.77 30.78 41.10 3.57 31.10 43.25 2.84 30.20 43.65 3.03 32.14 42.27 1.92 32.98 42.94 3 0 1000.00-999 ?-999 ?-999 ? mPRO^A 11 4.86 31.17 43.60 5.36 31.92 43.17 5.13 30.59 45.97 4.88 31.77 46.28 5.45 30.21 44.54 6.93 30.37 44.30 3 0 1000.00-999 ?-999 ?-999 ? mPHE^A 12 5.13 29.60 46.85 5.31 28.70 46.44 5.88 29.09 49.13 6.49 28.11 48.69 4.88 29.85 48.27 3.45 29.50 48.70 3 0 1000.00-999 ?-999 ?-999 ? mASP.A 13 5.99 29.58 50.36 5.56 30.46 50.51 5.82 28.05 52.31 6.22 26.99 52.79 6.71 28.83 51.37 7.59 29.80 52.14 2 0 1000.00-999 ?-999 ?-999 ? mASP~A 14 4.64 28.57 52.60 4.47 29.46 52.18 2.39 27.94 52.64 1.79 29.01 52.46 3.67 27.91 53.46 3.54 28.71 54.74 2 0 1000.00-999 ?-999 ?-999 ? mGLY~A 15 2.00 26.79 52.10 2.57 26.01 52.35 -0.47 27.14 51.84 -1.26 27.87 51.22 0.85 26.70 51.22-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mASP~A 16 -0.69 26.70 53.08 0.04 26.15 53.49 -2.05 28.57 53.96 -3.10 29.17 53.78 -1.96 27.06 53.72 -2.14 26.32 55.05 2 0 1000.00-999 ?-999 ?-999 ? mARG~A 17 -0.94 29.17 54.34 -0.16 28.56 54.47 -1.11 31.35 53.24 -1.88 32.29 53.14 -0.88 30.61 54.55 0.46 30.99 55.13 2 0 1000.00-999 ?-999 ?-999 ? mALA~A 18 -0.40 30.88 52.21 0.15 30.06 52.39 -1.85 31.48 50.30 -2.40 32.48 49.78 -0.47 31.56 50.92 0.59 31.01 49.95 2 0 1000.00-999 ?-999 ?-999 ? mARG~A 19 -2.46 30.30 50.36 -1.94 29.57 50.80 -4.79 31.00 50.58 -5.65 31.63 49.97 -3.78 30.15 49.81 -4.20 28.67 49.78 2 0 1000.00-999 ?-999 ?-999 ? mALA~A 20 -4.68 31.02 51.90 -3.97 30.43 52.29 -5.40 33.35 52.32 -6.36 34.10 52.21 -5.59 31.87 52.67 -5.37 31.68 54.13 2 0 1000.00-999 ?-999 ?-999 ? mPHE~A 21 -4.14 33.77 52.13 -3.43 33.08 52.21 -4.64 35.59 50.56 -5.28 36.63 50.50 -3.88 35.16 51.82 -2.37 35.42 51.63 3 0 1000.00-999 ?-999 ?-999 ? mTYR~A 22 -4.55 34.76 49.52 -4.04 33.91 49.68 -6.70 34.95 48.24 -7.42 35.75 47.65 -5.17 35.13 48.27 -4.49 34.44 47.08 3 0 1000.00-999 ?-999 ?-999 ? mARG~A 23 -7.19 33.88 48.86 -6.52 33.22 49.19 -9.15 34.97 49.75 -10.19 35.52 49.38 -8.63 33.74 49.03 -8.97 32.50 49.85 2 0 1000.00-999 ?-999 ?-999 ? mASP~A 24 -8.44 35.37 50.78 -7.58 34.90 50.92 -8.80 37.80 50.97 -9.68 38.65 51.05 -8.95 36.45 51.63 -8.20 36.45 52.94 2 0 1000.00-999 ?-999 ?-999 ? mALA~A 25 -7.66 38.03 50.34 -7.03 37.26 50.31 -8.32 39.65 48.59 -8.83 40.76 48.46 -7.40 39.36 49.75 -5.93 39.47 49.29 2 0 1000.00-999 ?-999 ?-999 ? mPHE~A 26 -8.52 38.66 47.73 -8.20 37.77 48.04 -10.30 37.97 46.10 -10.99 38.20 45.12 -9.15 38.91 46.44 -8.11 38.76 45.31 3 0 1000.00-999 ?-999 ?-999 ? mGLY~A 27 -10.49 36.90 46.87 -9.87 36.82 47.65 -11.19 34.94 45.48 -12.05 34.33 44.89 -11.55 35.94 46.56-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mTRP.A 28 -9.90 34.72 45.24 -9.25 35.30 45.73 -10.07 32.33 44.75 -10.09 32.02 45.94 -9.51 33.68 44.32 -7.99 33.56 44.28 3 0 1000.00-999 ?-999 ?-999 ? mALA^A 29 -10.50 31.51 43.79 -10.54 31.93 42.88 -9.61 29.31 43.86 -8.97 29.40 42.82 -10.86 30.14 44.05 -11.96 29.69 43.08 2 0 1000.00-999 ?-999 ?-999 ? mILE^A 30 -9.24 28.58 44.88 -9.88 28.61 45.65 -8.31 26.39 45.24 -9.06 26.12 46.19 -8.00 27.82 44.86 -6.96 28.41 45.81 3 0 1000.00-999 ?-999 ?-999 ? mALA^A 31 -7.77 25.43 44.50 -7.22 25.78 43.74 -6.61 23.33 44.73 -5.90 23.41 43.72 -7.97 24.01 44.78 -8.90 23.37 43.76 2 0 1000.00-999 ?-999 ?-999 ? mGLU^A 32 -6.29 22.55 45.76 -6.89 22.65 46.55 -5.46 20.46 44.79 -6.45 19.78 45.00 -5.14 21.65 45.68 -4.75 21.13 47.06 2 0 1000.00-999 ?-999 ?-999 ? mILE^A 33 -4.61 20.19 43.80 -3.79 20.75 43.80 -4.24 17.83 43.19 -3.04 17.81 43.38 -4.92 19.14 42.81 -4.46 19.55 41.38 3 0 1000.00-999 ?-999 ?-999 ? mPRO.A 34 -5.02 16.72 43.31 -6.01 16.87 43.28 -4.07 14.84 42.10 -4.99 14.78 41.28 -4.38 15.41 43.48 -5.47 14.58 44.16 3 0 1000.00-999 ?-999 ?-999 ? mASP.A 35 -2.85 14.39 41.81 -2.78 14.14 40.84 -0.58 15.01 42.03 0.40 14.44 41.53 -1.71 14.25 42.72 -1.35 12.78 42.91 2 0 1000.00-999 ?-999 ?-999 ? mMET.A 36 -0.76 16.33 42.02 -1.36 16.65 42.75 0.90 18.14 41.71 1.57 18.88 41.01 -0.15 17.22 41.06 -1.28 18.06 40.44 2 0 1000.00-999 ?-999 ?-999 ? mASP.A 37 1.04 18.07 43.04 0.57 17.28 43.44 1.62 20.47 43.31 2.56 21.19 42.99 1.81 19.05 43.83 3.29 18.67 43.92 2 0 1000.00-999 ?-999 ?-999 ? mTYR^A 38 0.36 20.88 43.25 -0.30 20.28 43.71 -1.35 22.56 43.11 -2.20 21.74 43.39 0.00 22.10 42.58 -0.11 21.75 41.10 3 0 1000.00-999 ?-999 ?-999 ? mSER^A 39 -1.53 23.87 43.26 -0.71 24.42 43.15 -3.32 25.25 42.40 -2.67 26.21 41.96 -2.83 24.43 43.58 -2.71 25.33 44.79 2 0 1000.00-999 ?-999 ?-999 ? mMET^A 40 -4.47 24.89 41.88 -4.88 24.09 42.33 -5.73 26.85 41.27 -6.41 26.82 42.32 -5.09 25.58 40.75 -6.16 24.69 40.12 2 0 1000.00-999 ?-999 ?-999 ? mVAL^A 41 -5.50 27.96 40.56 -4.93 27.80 39.75 -6.95 29.80 39.83 -6.55 29.89 38.66 -6.04 29.27 40.93 -4.94 30.32 41.13 3 0 1000.00-999 ?-999 ?-999 ? mTHR^A 42 -8.19 30.12 40.18 -8.41 29.91 41.14 -9.34 32.17 39.76 -9.84 32.37 40.87 -9.14 30.71 39.26 -10.41 29.84 39.25 2 0 1000.00-999 ?-999 ?-999 ? mTHR.A 43 -8.93 33.16 38.94 -8.51 32.82 38.10 -10.23 35.25 38.54 -10.63 36.36 38.88 -9.07 34.60 39.25 -7.74 35.42 38.93 2 0 1000.00-999 ?-999 ?-999 ? mGLY.A 44 -10.79 34.56 37.56 -10.34 33.69 37.37 -12.70 33.84 36.24 -12.18 32.70 36.19 -11.96 35.03 36.83-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mPRO.A 45 -13.93 34.11 35.76 -14.14 35.08 35.71 -14.39 32.14 34.27 -13.63 32.53 33.38 -14.89 33.08 35.34 -16.09 33.88 34.81 3 0 1000.00-999 ?-999 ?-999 ? mVAL.A 46 -14.84 30.90 34.36 -15.44 30.73 35.14 -15.78 29.25 32.94 -16.81 29.30 33.61 -14.48 29.87 33.43 -13.53 28.85 34.08 3 0 1000.00-999 ?-999 ?-999 ? mGLY.A 47 -15.74 28.72 31.73 -14.86 28.84 31.26 -16.79 26.55 31.49 -16.11 26.15 32.45 -16.89 28.02 31.17-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mGLU.A 48 -17.47 25.73 30.69 -17.94 26.19 29.94 -16.17 23.63 30.57 -15.82 22.59 31.12 -17.51 24.28 30.90 -18.62 23.66 30.04 2 0 1000.00-999 ?-999 ?-999 ? mSER.A 49 -15.42 24.25 29.66 -15.88 25.00 29.19 -13.09 24.08 30.58 -11.99 23.52 30.61 -14.04 23.84 29.38 -13.51 24.63 28.18 2 0 1000.00-999 ?-999 ?-999 ? mGLY.A 50 -13.51 24.89 31.55 -14.46 25.18 31.45 -11.66 26.43 32.28 -10.87 26.88 33.12 -12.63 25.31 32.65-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mMET.A 51 -11.71 26.88 31.03 -12.38 26.40 30.46 -11.64 29.29 30.70 -12.86 29.29 30.73 -10.87 27.98 30.54 -10.50 27.74 29.08 2 0 1000.00-999 ?-999 ?-999 ? mPRO.A 52 -10.92 30.42 30.80 -9.92 30.34 30.76 -12.69 31.88 29.85 -12.43 31.54 28.70 -11.65 31.67 30.96 -10.54 32.74 30.89 3 0 1000.00-999 ?-999 ?-999 ? mASP.A 53 -13.85 32.41 30.21 -13.93 32.58 31.19 -15.35 34.16 29.20 -16.31 34.51 28.51 -14.90 32.69 29.22 -16.09 31.75 29.40 2 0 1000.00-999 ?-999 ?-999 ? mGLU.A 54 -14.69 35.03 29.98 -14.16 34.60 30.71 -13.31 36.93 29.44 -12.35 36.25 29.83 -14.74 36.46 29.75 -15.34 37.18 30.94 2 0 1000.00-999 ?-999 ?-999 ? mPRO.A 55 -13.16 38.01 28.68 -14.02 38.46 28.44 -11.09 39.31 29.25 -11.68 39.91 30.14 -11.86 38.47 28.24 -12.19 39.35 27.03 3 0 1000.00-999 ?-999 ?-999 ? mGLY.A 56 -9.77 39.31 29.11 -9.43 38.58 28.51 -8.21 39.84 31.04 -7.65 40.67 31.77 -8.91 40.30 29.77-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mTYR.A 57 -8.22 38.54 31.29 -8.71 38.01 30.60 -7.11 36.56 32.26 -7.56 35.87 31.35 -7.55 37.99 32.49 -8.48 38.04 33.74 3 0 1000.00-999 ?-999 ?-999 ? mILE.A 58 -6.18 36.13 33.09 -5.81 36.83 33.70 -5.87 34.13 34.49 -5.88 34.85 35.51 -5.74 34.76 33.11 -4.25 34.62 32.63 3 0 1000.00-999 ?-999 ?-999 ? mASN.A 59 -5.97 32.82 34.47 -6.07 32.43 33.56 -4.52 31.45 35.82 -3.63 31.73 34.98 -5.92 32.03 35.69 -7.02 30.98 35.62 2 0 1000.00-999 ?-999 ?-999 ? mGLY^A 60 -4.27 30.72 36.91 -5.05 30.48 37.48 -2.81 29.22 38.19 -3.71 28.38 38.35 -2.90 30.32 37.18-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mGLY^A 61 -1.67 29.19 38.87 -1.04 29.94 38.67 -0.48 28.68 40.93 0.15 29.74 40.78 -1.38 28.16 39.81-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mMET^A 62 -0.45 27.95 42.05 -1.12 27.21 42.07 1.19 26.93 43.49 0.61 25.85 43.40 0.49 28.22 43.15 -0.24 28.77 44.36 2 0 1000.00-999 ?-999 ?-999 ? mMET^A 63 2.47 27.02 43.79 2.81 27.96 43.86 4.35 26.14 45.06 4.78 27.27 45.25 3.31 25.87 44.00 3.98 25.50 42.69 2 0 1000.00-999 ?-999 ?-999 ? mGLN^A 64 4.76 25.09 45.74 4.27 24.24 45.57 7.10 25.71 45.96 7.47 25.19 44.89 5.86 25.20 46.68 6.10 23.79 47.26 2 0 1000.00-999 ?-999 ?-999 ? mARG.A 65 7.74 26.71 46.55 7.34 26.96 47.43 10.00 26.35 45.74 10.27 25.55 46.62 8.91 27.37 45.96 9.44 28.48 46.88 2 0 1000.00-999 ?-999 ?-999 ? mGLY.A 66 10.57 26.34 44.55 10.18 27.00 43.91 11.91 25.41 42.75 12.87 26.01 42.30 11.67 25.41 44.24-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mGLU.A 67 11.05 24.76 41.97 10.36 24.22 42.46 10.69 26.22 40.00 11.16 26.74 38.99 11.13 24.85 40.50 10.26 23.78 39.80 2 0 1000.00-999 ?-999 ?-999 ? mVAL.A 68 9.73 26.81 40.72 9.30 26.22 41.40 9.87 28.91 41.76 9.55 28.49 42.89 9.35 28.19 40.52 7.82 28.36 40.42 3 0 1000.00-999 ?-999 ?-999 ? mTHR.A 69 10.74 29.91 41.57 10.94 30.14 40.61 10.79 32.00 42.93 10.84 32.47 44.07 11.33 30.61 42.69 12.85 30.66 42.57 2 0 1000.00-999 ?-999 ?-999 ? mTHR.A 70 10.30 32.65 41.88 10.46 32.18 41.01 8.41 33.83 40.96 8.36 32.89 40.17 9.59 33.92 41.98 10.52 35.12 41.67 2 0 1000.00-999 ?-999 ?-999 ? mPRO.A 71 7.45 34.76 41.03 7.55 35.47 41.72 6.75 34.47 38.63 7.68 35.14 38.16 6.34 34.64 40.09 5.56 35.92 40.33 3 0 1000.00-999 ?-999 ?-999 ? mVAL^A 72 6.05 33.59 37.92 5.28 33.20 38.43 5.13 33.46 35.68 4.01 33.15 36.12 6.37 33.26 36.53 6.88 31.84 36.39 3 0 1000.00-999 ?-999 ?-999 ? mVAL^A 73 5.32 34.08 34.53 6.21 34.51 34.43 4.65 33.14 32.43 5.82 32.89 32.21 4.27 34.11 33.53 4.02 35.51 32.95 3 0 1000.00-999 ?-999 ?-999 ? mTHR^A 74 3.62 32.58 31.78 2.74 33.01 31.99 3.31 31.83 29.47 2.18 32.29 29.32 3.77 31.46 30.87 2.85 30.33 31.32 2 0 1000.00-999 ?-999 ?-999 ? mVAL^A 75 4.18 31.62 28.50 5.06 31.27 28.81 3.44 30.58 26.44 4.12 29.57 26.56 3.89 31.87 27.10 5.16 32.31 26.38 3 0 1000.00-999 ?-999 ?-999 ? mASP^A 76 2.29 30.61 25.79 1.79 31.47 25.93 2.60 29.42 23.67 2.79 30.45 23.02 1.81 29.48 24.97 0.35 29.64 24.66 2 0 1000.00-999 ?-999 ?-999 ? mVAL.A 77 3.10 28.23 23.30 2.90 27.49 23.94 3.44 26.78 21.38 2.90 25.87 22.01 3.88 28.05 22.08 5.39 28.00 22.34 3 0 1000.00-999 ?-999 ?-999 ? mGLU.A 78 3.65 26.75 20.07 4.09 27.57 19.69 4.18 24.39 19.64 3.70 23.26 19.74 3.27 25.58 19.29 3.31 25.89 17.80 2 0 1000.00-999 ?-999 ?-999 ? mSER~A 79 5.45 24.68 19.85 5.65 25.65 19.79 7.49 24.19 21.11 8.24 25.12 20.79 6.45 23.66 20.14 7.14 23.21 18.85 2 0 1000.00-999 ?-999 ?-999 ? mILE~A 80 7.56 23.60 22.30 6.86 22.90 22.46 9.98 23.69 22.71 10.90 24.47 22.93 8.58 23.97 23.26 8.34 23.27 24.63 3 0 1000.00-999 ?-999 ?-999 ? mGLU~A 81 10.14 22.61 21.95 9.31 22.05 21.82 11.93 23.43 20.45 13.05 23.89 20.54 11.44 22.30 21.37 11.35 21.00 20.58 2 0 1000.00-999 ?-999 ?-999 ? mSER~A 82 11.03 23.87 19.59 10.15 23.40 19.64 11.53 26.26 19.36 12.44 27.02 19.02 11.30 24.95 18.65 10.14 25.10 17.67 2 0 1000.00-999 ?-999 ?-999 ? mALA~A 83 10.69 26.54 20.36 10.00 25.83 20.54 12.13 27.90 21.89 12.82 28.92 21.84 10.82 27.80 21.11 9.63 27.95 22.06 2 0 1000.00-999 ?-999 ?-999 ? mLEU~A 84 12.52 26.82 22.55 11.90 26.04 22.49 14.97 26.93 22.37 15.92 27.59 22.71 13.77 26.79 23.30 13.89 25.51 24.12 3 0 1000.00-999 ?-999 ?-999 ? mGLU~A 85 14.91 26.30 21.19 14.11 25.72 21.05 16.11 27.95 19.78 17.21 28.49 19.69 15.98 26.49 20.19 15.66 25.68 18.95 2 0 1000.00-999 ?-999 ?-999 ? mARG~A 86 14.97 28.57 19.50 14.15 28.00 19.57 15.42 30.88 20.25 16.24 31.78 20.04 14.93 29.98 19.12 13.51 30.35 18.75 2 0 1000.00-999 ?-999 ?-999 ? mILE~A 87 14.92 30.65 21.45 14.23 29.92 21.47 16.85 31.37 22.82 17.47 32.42 23.02 15.33 31.40 22.62 14.57 30.89 23.88 3 0 1000.00-999 ?-999 ?-999 ? mGLU~A 88 17.46 30.19 22.73 16.86 29.41 22.53 19.67 30.79 21.81 20.69 31.42 22.07 18.90 30.08 22.92 19.33 28.63 23.07 2 0 1000.00-999 ?-999 ?-999 ? mSER~A 89 19.16 30.75 20.59 18.33 30.21 20.49 19.73 33.00 19.70 20.55 33.76 19.19 19.82 31.48 19.50 19.24 31.08 18.16 2 0 1000.00-999 ?-999 ?-999 ? mLEU~A 90 18.75 33.44 20.50 18.20 32.71 20.90 19.11 35.39 22.04 18.86 36.54 22.41 18.52 34.87 20.74 17.02 35.15 20.72 3 0 1000.00-999 ?-999 ?-999 ? mGLY.A 91 19.89 34.57 22.73 19.97 33.65 22.35 19.87 34.60 25.22 20.25 35.07 26.28 20.58 34.98 23.93-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mGLY.A 92 18.85 33.75 25.12 18.59 33.54 24.18 18.77 31.82 26.62 19.66 31.33 25.91 18.19 33.19 26.29-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mLYS^A 93 18.28 31.20 27.69 17.55 31.69 28.17 17.73 29.01 28.71 16.85 29.48 29.42 18.80 29.89 28.10 19.90 30.07 29.13 2 0 1000.00-999 ?-999 ?-999 ? mTHR^A 94 17.81 27.72 28.43 18.56 27.48 27.80 17.21 26.55 30.45 18.37 26.38 30.80 16.90 26.74 28.99 17.00 25.39 28.25 2 0 1000.00-999 ?-999 ?-999 ? mVAL^A 95 16.18 26.61 31.28 15.33 26.91 30.85 15.85 24.83 32.90 16.60 24.01 33.43 16.29 26.27 32.70 15.48 27.26 33.57 3 0 1000.00-999 ?-999 ?-999 ? mTHR^A 96 14.64 24.51 32.45 14.07 25.30 32.18 13.57 22.87 31.02 12.92 23.75 30.47 14.20 23.11 32.37 13.22 22.74 33.45 2 0 1000.00-999 ?-999 ?-999 ? mGLY^A 97 13.76 21.67 30.48 14.30 21.04 31.03 11.80 20.87 29.23 11.15 20.80 30.26 13.23 21.33 29.19-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mARG^A 98 11.32 20.52 28.05 11.98 20.59 27.30 9.57 18.94 28.80 10.23 17.88 28.79 9.95 20.09 27.87 9.78 19.63 26.42 2 0 1000.00-999 ?-999 ?-999 ? mTHR^A 99 8.52 19.15 29.58 8.03 19.99 29.37 6.61 18.06 30.59 5.88 19.04 30.62 8.13 18.23 30.62 8.54 18.83 32.01 2 0 1000.00-999 ?-999 ?-999 ? mPRO^A 100 6.10 16.82 30.57 6.76 16.07 30.50 4.13 17.17 31.97 4.73 16.92 33.02 4.66 16.66 30.65 4.44 15.13 30.54 3 0 1000.00-999 ?-999 ?-999 ? mVAL^A 101 3.03 17.89 31.92 2.70 18.04 30.98 0.89 18.05 32.98 0.25 18.37 31.97 2.36 18.40 33.10 2.55 19.91 33.24 3 0 1000.00-999 ?-999 ?-999 ? mGLY.A 102 0.34 17.39 33.99 0.93 17.27 34.79 -1.18 16.00 32.71 -0.26 15.30 32.35 -1.03 16.90 33.91-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mASN.A 103 -2.36 16.06 32.08 -3.00 16.71 32.48 -2.69 15.95 29.58 -2.72 15.31 28.53 -2.64 15.23 30.91 -3.96 14.50 31.10 2 0 1000.00-999 ?-999 ?-999 ? mMET.A 104 -2.72 17.27 29.59 -2.52 17.70 30.47 -1.87 18.63 27.65 -1.99 19.03 26.49 -3.04 18.00 28.37 -4.09 19.07 28.65 2 0 1000.00-999 ?-999 ?-999 ? mGLY^A 105 -0.71 18.75 28.30 -0.65 18.31 29.20 1.70 19.34 28.33 1.91 18.45 29.17 0.35 19.49 27.67-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mPHE^A 106 2.60 20.24 27.95 2.25 20.94 27.33 4.37 21.61 28.85 3.85 22.61 28.36 3.97 20.22 28.40 4.88 19.80 27.25 3 0 1000.00-999 ?-999 ?-999 ? mALA^A 107 5.31 21.66 29.81 5.61 20.77 30.14 7.34 22.95 30.18 7.98 21.91 30.10 5.83 22.93 30.29 5.45 23.17 31.75 2 0 1000.00-999 ?-999 ?-999 ? mALA^A 108 7.91 24.16 30.19 7.27 24.93 30.11 9.58 25.73 30.85 8.68 26.54 30.90 9.33 24.34 30.30 10.02 24.17 28.96 2 0 1000.00-999 ?-999 ?-999 ? mTYR^A 109 10.81 25.95 31.32 11.42 25.16 31.28 12.51 27.69 31.18 13.37 26.87 30.90 11.20 27.27 31.83 11.38 27.21 33.36 3 0 1000.00-999 ?-999 ?-999 ? mPHE^A 110 12.66 29.00 30.97 11.87 29.55 31.24 14.19 30.87 31.03 13.31 31.46 31.68 13.89 29.55 30.38 13.78 29.77 28.85 3 0 1000.00-999 ?-999 ?-999 ? mTHR^A 111 15.42 31.35 30.85 16.08 30.68 30.49 15.77 33.56 29.90 16.30 33.13 28.85 15.75 32.73 31.17 17.08 32.89 31.90 2 0 1000.00-999 ?-999 ?-999 ? mASP.A 112 15.21 34.77 29.97 14.81 35.00 30.86 16.57 36.35 28.72 17.49 36.01 29.47 15.20 35.66 28.81 14.01 36.64 28.89 2 0 1000.00-999 ?-999 ?-999 ? mSER.A 113 16.69 37.32 27.82 15.84 37.52 27.32 18.37 38.79 28.83 19.54 39.22 28.94 17.95 38.03 27.59 17.84 39.01 26.42 2 0 1000.00-999 ?-999 ?-999 ? mGLU.A 114 17.42 39.03 29.74 16.54 38.59 29.52 17.76 39.03 32.24 17.78 39.61 33.31 17.62 39.83 30.93 16.45 40.83 31.08 2 0 1000.00-999 ?-999 ?-999 ? mGLY.A 115 17.84 37.71 32.16 17.81 37.36 31.22 16.69 36.54 34.09 16.72 36.03 35.20 17.97 36.87 33.35-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mASN.A 116 15.56 36.88 33.50 15.67 37.33 32.62 13.84 35.19 33.78 13.90 34.82 32.62 14.27 36.60 34.14 13.15 37.53 33.67 2 0 1000.00-999 ?-999 ?-999 ? mVAL^A 117 13.34 34.45 34.77 13.39 34.87 35.67 11.31 33.30 34.04 10.51 33.98 34.68 12.76 33.13 34.51 12.79 32.23 35.73 3 0 1000.00-999 ?-999 ?-999 ? mVAL^A 118 11.03 32.69 32.88 11.80 32.17 32.51 9.33 31.33 31.81 10.20 30.48 31.58 9.73 32.76 32.20 9.84 33.68 30.98 3 0 1000.00-999 ?-999 ?-999 ? mGLY^A 119 8.03 31.08 31.78 7.45 31.85 32.01 7.06 29.64 30.02 6.73 30.62 29.36 7.53 29.77 31.45-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mLEU^A 120 7.04 28.39 29.55 7.49 27.74 30.16 5.40 26.92 28.52 5.54 26.10 29.44 6.45 28.00 28.27 7.49 27.41 27.35 3 0 1000.00-999 ?-999 ?-999 ? mTRP^A 121 4.35 26.93 27.70 4.35 27.70 27.07 3.06 25.47 26.31 2.93 26.32 25.43 3.31 25.90 27.73 2.00 26.43 28.32 3 0 1000.00-999 ?-999 ?-999 ? mGLU^A 122 3.02 24.15 26.10 3.24 23.60 26.90 1.51 22.66 24.99 1.63 21.66 25.71 2.68 23.59 24.80 3.84 22.81 24.20 2 0 1000.00-999 ?-999 ?-999 ? mTHR^A 123 0.39 22.95 24.35 0.39 23.84 23.88 -0.42 20.87 23.43 0.08 21.07 22.33 -0.73 22.03 24.34 -2.01 22.72 23.85 2 0 1000.00-999 ?-999 ?-999 ? mALA.A 124 -0.67 19.66 23.92 -1.05 19.65 24.85 -1.36 18.41 21.94 -2.57 18.50 22.11 -0.40 18.47 23.13 -0.54 17.21 23.98 2 0 1000.00-999 ?-999 ?-999 ? mARG.A 125 -0.77 18.29 20.75 0.23 18.26 20.83 -0.88 17.10 18.61 0.32 16.88 18.66 -1.48 18.22 19.46 -1.32 19.54 18.70 2 0 1000.00-999 ?-999 ?-999 ? mMET.B 1 -38.97 24.41 55.55 -39.69 23.72 55.58 -37.22 25.60 54.13 -36.13 26.13 54.01 -37.89 25.44 55.51 -36.85 25.11 56.59 2 0 1000.00-999 ?-999 ?-999 ? mTHR.B 2 -37.94 25.19 53.09 -38.84 24.84 53.34 -37.05 26.66 51.37 -37.78 27.61 51.66 -37.49 25.25 51.72 -38.66 24.86 50.78 2 0 1000.00-999 ?-999 ?-999 ? mGLY.B 3 -35.87 26.76 50.76 -35.42 25.88 50.65 -34.52 28.78 51.38 -33.87 29.76 51.11 -35.28 28.02 50.30-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mARG.B 4 -34.64 28.35 52.63 -35.15 27.50 52.72 -32.58 28.71 53.89 -32.21 27.60 53.56 -34.06 29.11 53.75 -34.80 28.80 55.05 2 0 1000.00-999 ?-999 ?-999 ? mILE^B 5 -31.75 29.64 54.35 -32.15 30.55 54.40 -30.44 28.75 56.16 -30.79 29.46 57.09 -30.35 29.32 54.75 -29.46 30.55 54.71 3 0 1000.00-999 ?-999 ?-999 ? mVAL^B 6 -30.14 27.46 56.27 -29.73 27.06 55.45 -29.13 26.13 58.13 -29.22 25.53 59.22 -30.39 26.68 57.48 -31.32 25.49 57.19 3 0 1000.00-999 ?-999 ?-999 ? mHIS^B 7 -27.96 26.33 57.53 -28.00 26.96 56.75 -25.56 26.39 57.40 -25.68 27.05 56.38 -26.75 25.66 58.00 -26.77 24.17 57.55 3 0 1000.00-999 ?-999 ?-999 ? mPHE^B 8 -24.42 26.26 58.03 -24.51 25.78 58.90 -22.06 25.77 57.77 -22.17 24.91 58.66 -23.16 26.78 57.51 -22.78 28.10 58.15 3 0 1000.00-999 ?-999 ?-999 ? mGLU^B 9 -20.99 25.89 56.99 -21.10 26.55 56.26 -18.55 25.97 57.14 -18.45 26.83 56.29 -19.78 25.09 57.21 -19.69 23.96 56.19 2 0 1000.00-999 ?-999 ?-999 ? mILE^B 10 -17.64 25.75 58.07 -17.93 25.07 58.75 -15.26 25.39 57.93 -15.16 24.44 58.74 -16.36 26.42 58.11 -16.17 27.23 59.40 3 0 1000.00-999 ?-999 ?-999 ? mPRO^B 11 -14.47 25.54 56.86 -14.67 26.33 56.27 -12.17 24.90 57.45 -11.90 26.04 57.77 -13.39 24.58 56.62 -13.08 24.76 55.13 3 0 1000.00-999 ?-999 ?-999 ? mPHE^B 12 -11.39 23.86 57.74 -11.72 22.97 57.43 -8.98 23.31 57.84 -9.15 22.34 57.08 -10.15 24.04 58.47 -10.29 23.63 59.94 3 0 1000.00-999 ?-999 ?-999 ? mASP.B 13 -7.78 23.79 58.19 -7.81 24.66 58.68 -6.12 22.19 59.03 -5.59 21.10 58.79 -6.55 23.09 57.88 -5.44 24.09 57.51 2 0 1000.00-999 ?-999 ?-999 ? mASP~B 14 -6.28 22.67 60.26 -6.65 23.60 60.27 -7.19 21.88 62.33 -7.57 22.90 62.92 -5.93 21.91 61.47 -4.76 22.62 62.16 2 0 1000.00-999 ?-999 ?-999 ? mGLY~B 15 -7.86 20.73 62.36 -7.43 19.99 61.83 -9.05 20.94 64.57 -9.92 21.63 65.09 -9.10 20.57 63.10-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mASP~B 16 -8.04 20.44 65.28 -7.41 19.84 64.77 -7.71 22.25 66.91 -8.28 22.82 67.82 -7.88 20.75 66.69 -6.68 19.99 67.29 2 0 1000.00-999 ?-999 ?-999 ? mARG~B 17 -6.91 22.87 66.06 -6.50 22.28 65.37 -7.97 25.10 65.94 -8.30 26.00 66.73 -6.68 24.31 66.16 -5.64 24.75 65.15 2 0 1000.00-999 ?-999 ?-999 ? mALA~B 18 -8.69 24.72 64.87 -8.30 23.94 64.38 -10.99 25.25 65.56 -11.67 26.21 65.96 -9.93 25.42 64.48 -10.41 24.87 63.17 2 0 1000.00-999 ?-999 ?-999 ? mARG~B 19 -11.18 24.03 66.05 -10.59 23.31 65.69 -11.84 24.59 68.31 -12.71 25.17 68.94 -12.19 23.80 67.05 -12.35 22.31 67.34 2 0 1000.00-999 ?-999 ?-999 ? mALA~B 20 -10.56 24.61 68.69 -9.93 24.05 68.15 -10.42 26.89 69.65 -10.87 27.57 70.57 -10.15 25.40 69.85 -8.67 25.18 70.18 2 0 1000.00-999 ?-999 ?-999 ? mPHE~B 21 -10.14 27.36 68.44 -9.77 26.68 67.81 -11.83 29.16 68.36 -12.10 30.17 69.04 -10.38 28.77 68.10 -10.01 29.07 66.65 3 0 1000.00-999 ?-999 ?-999 ? mTYR~B 22 -12.77 28.39 67.80 -12.43 27.58 67.32 -14.78 28.50 69.31 -15.63 29.28 69.79 -14.18 28.75 67.92 -14.98 28.11 66.81 3 0 1000.00-999 ?-999 ?-999 ? mARG~B 23 -14.35 27.43 70.00 -13.75 26.80 69.49 -14.29 28.41 72.22 -15.04 28.98 72.97 -14.76 27.23 71.38 -14.16 25.92 71.94 2 0 1000.00-999 ?-999 ?-999 ? mASP~B 24 -13.03 28.79 72.05 -12.55 28.36 71.29 -12.86 31.19 72.63 -13.05 31.98 73.53 -12.41 29.77 72.93 -10.87 29.69 72.82 2 0 1000.00-999 ?-999 ?-999 ? mALA~B 25 -13.06 31.51 71.35 -12.94 30.75 70.71 -14.90 33.16 71.15 -15.29 34.27 71.48 -13.42 32.88 70.96 -13.00 33.17 69.52 2 0 1000.00-999 ?-999 ?-999 ? mPHE~B 26 -15.74 32.15 70.91 -15.30 31.26 70.76 -18.03 31.46 71.76 -19.23 31.66 71.82 -17.18 32.37 70.89 -17.67 32.26 69.43 3 0 1000.00-999 ?-999 ?-999 ? mGLY~B 27 -17.42 30.49 72.43 -16.42 30.48 72.34 -19.00 28.52 72.43 -19.95 27.95 72.99 -18.16 29.51 73.21-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mTRP.B 28 -18.67 28.27 71.17 -17.90 28.82 70.84 -19.27 25.88 71.03 -18.21 25.53 71.56 -19.39 27.26 70.39 -18.86 27.18 68.96 3 0 1000.00-999 ?-999 ?-999 ? mALA^B 29 -20.35 25.12 70.97 -21.17 25.59 70.65 -20.01 22.93 70.09 -20.77 22.99 69.13 -20.31 23.71 71.35 -21.66 23.28 71.94 2 0 1000.00-999 ?-999 ?-999 ? mILE^B 30 -18.88 22.25 70.06 -18.36 22.27 70.91 -18.27 20.06 69.22 -17.52 19.74 70.14 -18.46 21.53 68.87 -17.16 22.13 68.30 3 0 1000.00-999 ?-999 ?-999 ? mALA^B 31 -18.97 19.19 68.51 -19.55 19.60 67.81 -18.33 17.13 67.49 -18.95 17.20 66.43 -18.89 17.75 68.74 -20.27 17.18 69.02 2 0 1000.00-999 ?-999 ?-999 ? mGLU^B 32 -17.16 16.51 67.61 -16.67 16.67 68.47 -17.52 14.40 66.53 -17.79 13.84 67.60 -16.66 15.66 66.54 -15.22 15.25 66.80 2 0 1000.00-999 ?-999 ?-999 ? mILE.B 33 -17.92 13.92 65.36 -17.68 14.49 64.57 -17.68 11.51 65.71 -16.50 11.81 65.96 -18.67 12.65 65.27 -19.43 12.56 63.92 3 0 1000.00-999 ?-999 ?-999 ? mMET.B 36 -18.40 10.47 60.44 -18.02 9.77 61.04 -17.87 12.49 59.04 -18.18 13.35 58.20 -18.95 11.51 59.56 -20.10 12.29 60.25 2 0 1000.00-999 ?-999 ?-999 ? mASP.B 37 -16.61 12.35 59.50 -16.51 11.57 60.12 -15.92 14.72 59.26 -15.66 15.54 58.39 -15.50 13.26 59.14 -15.01 12.96 57.72 2 0 1000.00-999 ?-999 ?-999 ? mTYR.B 38 -16.53 15.03 60.39 -16.37 14.38 61.13 -17.38 16.62 61.97 -17.43 15.77 62.87 -17.35 16.21 60.51 -18.75 15.80 60.02 3 0 1000.00-999 ?-999 ?-999 ? mSER^B 39 -17.34 17.92 62.23 -17.12 18.51 61.45 -18.86 19.26 63.59 -18.94 20.30 62.92 -17.59 18.41 63.57 -16.42 19.22 64.09 2 0 1000.00-999 ?-999 ?-999 ? mMET^B 40 -19.85 18.81 64.35 -19.64 17.94 64.79 -20.88 20.72 65.41 -20.24 20.63 66.44 -21.10 19.51 64.52 -22.14 18.59 65.17 2 0 1000.00-999 ?-999 ?-999 ? mVAL^B 41 -21.43 21.86 64.99 -21.92 21.79 64.13 -22.69 23.63 66.12 -23.56 23.76 65.26 -21.32 23.10 65.73 -20.63 24.18 64.87 3 0 1000.00-999 ?-999 ?-999 ? mTHR^B 42 -22.87 23.93 67.41 -22.08 23.69 67.98 -23.68 25.95 68.44 -22.78 26.10 69.28 -24.07 24.56 67.98 -24.59 23.73 69.20 2 0 1000.00-999 ?-999 ?-999 ? mTHR.B 43 -24.34 26.98 67.89 -25.07 26.70 67.27 -25.02 29.07 69.06 -24.79 30.19 69.52 -23.99 28.38 68.17 -23.76 29.22 66.84 2 0 1000.00-999 ?-999 ?-999 ? mGLY.B 44 -26.15 28.41 69.29 -26.19 27.52 68.85 -28.09 27.84 70.67 -27.81 26.67 70.41 -27.23 28.96 70.11-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mPRO.B 45 -29.13 28.20 71.45 -29.28 29.19 71.51 -30.67 26.22 71.19 -31.18 26.63 70.15 -29.94 27.19 72.14 -30.95 28.03 72.94 3 0 1000.00-999 ?-999 ?-999 ? mVAL.B 46 -30.72 24.94 71.58 -30.30 24.77 72.46 -32.39 23.14 71.59 -32.29 23.09 72.81 -31.35 23.90 70.76 -30.31 22.91 70.20 3 0 1000.00-999 ?-999 ?-999 ? mGLY.B 47 -33.38 22.57 70.92 -33.34 22.71 69.93 -33.99 20.35 71.77 -32.83 20.01 71.54 -34.42 21.79 71.59-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mGLU.B 48 -34.93 19.49 72.17 -35.83 19.90 72.33 -34.39 17.37 71.00 -33.65 16.38 70.94 -34.63 18.07 72.34 -35.73 17.37 73.14 2 0 1000.00-999 ?-999 ?-999 ? mSER.B 49 -35.00 17.90 69.93 -35.71 18.57 70.16 -33.22 17.93 68.19 -32.64 17.42 67.23 -34.65 17.52 68.55 -35.61 18.18 67.56 2 0 1000.00-999 ?-999 ?-999 ? mGLY.B 50 -32.67 18.89 68.93 -33.27 19.25 69.65 -31.21 20.47 67.69 -30.11 20.87 67.30 -31.30 19.35 68.71-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mMET.B 51 -32.36 20.98 67.25 -33.17 20.54 67.62 -32.69 23.38 67.04 -33.18 23.35 68.17 -32.41 22.08 66.29 -33.48 21.82 65.24 2 0 1000.00-999 ?-999 ?-999 ? mPRO.B 52 -32.36 24.53 66.43 -31.97 24.46 65.51 -34.01 25.92 67.67 -34.97 25.68 66.95 -32.58 25.79 67.13 -32.28 26.85 66.06 3 0 1000.00-999 ?-999 ?-999 ? mASP.B 53 -34.13 26.29 68.94 -33.27 26.41 69.44 -35.80 27.94 69.81 -36.87 28.24 70.35 -35.46 26.48 69.53 -35.66 25.59 70.76 2 0 1000.00-999 ?-999 ?-999 ? mGLU.B 54 -34.89 28.84 69.44 -34.00 28.45 69.21 -34.81 30.79 67.99 -33.95 30.22 67.33 -35.17 30.27 69.38 -34.41 31.03 70.46 2 0 1000.00-999 ?-999 ?-999 ? mPRO.B 55 -35.52 31.84 67.51 -36.21 32.19 68.14 -34.01 33.21 66.02 -33.48 33.74 67.00 -35.29 32.41 66.19 -36.50 33.33 65.99 3 0 1000.00-999 ?-999 ?-999 ? mGLY.B 56 -33.53 33.26 64.79 -33.90 32.56 64.18 -31.13 33.77 64.23 -30.24 34.57 64.00 -32.55 34.26 64.37-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mTYR.B 57 -30.91 32.47 64.38 -31.73 31.93 64.59 -29.60 30.48 63.70 -30.62 29.78 63.75 -29.57 31.90 64.25 -28.81 31.89 65.58 3 0 1000.00-999 ?-999 ?-999 ? mILE.B 58 -28.45 30.06 63.19 -27.73 30.76 63.18 -27.11 28.03 63.32 -26.18 28.69 63.83 -28.29 28.70 62.68 -28.13 28.66 61.14 3 0 1000.00-999 ?-999 ?-999 ? mASN.B 59 -27.17 26.71 63.30 -28.05 26.33 63.03 -25.29 25.45 62.40 -25.69 25.79 61.28 -26.01 25.92 63.65 -26.41 24.81 64.58 2 0 1000.00-999 ?-999 ?-999 ? mGLY^B 60 -24.20 24.74 62.57 -24.01 24.44 63.50 -22.42 23.28 61.62 -22.64 22.41 62.48 -23.36 24.45 61.43-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mGLY^B 61 -21.37 23.27 60.82 -21.36 24.01 60.16 -18.97 22.79 60.57 -18.83 23.83 59.91 -20.35 22.26 60.90-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mMET^B 62 -17.95 22.06 61.00 -18.20 21.32 61.63 -16.05 21.08 59.88 -16.32 19.96 60.32 -16.59 22.32 60.58 -15.78 22.79 61.78 2 0 1000.00-999 ?-999 ?-999 ? mMET^B 63 -15.37 21.26 58.76 -15.28 22.22 58.47 -13.41 20.41 57.54 -13.00 21.57 57.35 -14.81 20.12 58.05 -15.68 19.67 56.87 2 0 1000.00-999 ?-999 ?-999 ? mGLN^B 64 -12.67 19.34 57.28 -13.10 18.47 57.50 -11.45 20.10 55.33 -12.28 19.70 54.51 -11.35 19.48 56.70 -10.68 18.11 56.61 2 0 1000.00-999 ?-999 ?-999 ? mARG.B 65 -10.62 21.11 55.06 -9.96 21.32 55.78 -10.45 20.86 52.66 -9.56 20.02 52.72 -10.69 21.84 53.83 -9.63 22.94 53.85 2 0 1000.00-999 ?-999 ?-999 ? mGLY.B 66 -11.22 21.00 51.59 -11.87 21.76 51.64 -12.21 20.36 49.51 -12.18 21.33 48.77 -11.09 20.09 50.46-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mGLU.B 67 -13.25 19.55 49.58 -13.10 18.73 50.13 -14.94 21.29 49.15 -15.37 21.98 48.24 -14.48 19.84 48.90 -15.54 18.83 49.36 2 0 1000.00-999 ?-999 ?-999 ? mVAL.B 68 -14.91 21.71 50.41 -14.63 20.99 51.05 -13.88 23.73 51.10 -13.08 23.19 51.87 -15.23 23.07 50.83 -16.10 23.07 52.16 3 0 1000.00-999 ?-999 ?-999 ? mTHR.B 69 -13.61 24.87 50.45 -14.34 25.19 49.85 -12.44 26.88 51.38 -11.44 27.40 51.86 -12.32 25.56 50.65 -11.60 25.80 49.29 2 0 1000.00-999 ?-999 ?-999 ? mTHR.B 70 -13.64 27.46 51.43 -14.33 26.97 50.91 -15.33 28.51 52.78 -16.06 27.57 52.39 -13.92 28.69 52.18 -13.84 29.92 51.28 2 0 1000.00-999 ?-999 ?-999 ? mPRO.B 71 -15.70 29.33 53.76 -15.04 30.04 54.01 -18.17 29.10 53.41 -18.16 29.82 52.40 -17.02 29.15 54.39 -17.11 30.33 55.35 3 0 1000.00-999 ?-999 ?-999 ? mVAL^B 72 -19.15 28.27 53.74 -19.03 27.80 54.62 -21.56 28.15 53.73 -21.60 27.78 54.92 -20.29 28.05 52.90 -20.18 26.71 52.21 3 0 1000.00-999 ?-999 ?-999 ? mVAL^B 73 -22.59 28.71 53.12 -22.34 29.18 52.27 -24.74 27.65 52.83 -24.47 27.49 51.65 -23.95 28.63 53.68 -24.66 30.00 53.77 3 0 1000.00-999 ?-999 ?-999 ? mTHR^B 74 -25.75 27.05 53.46 -25.96 27.42 54.36 -27.98 26.25 52.83 -28.58 26.63 53.84 -26.49 25.94 52.88 -26.28 24.70 53.73 2 0 1000.00-999 ?-999 ?-999 ? mVAL^B 75 -28.54 26.07 51.63 -27.87 25.77 50.95 -30.72 24.95 51.46 -30.32 23.97 50.87 -29.97 26.28 51.34 -30.15 26.85 49.92 3 0 1000.00-999 ?-999 ?-999 ? mASP^B 76 -31.79 24.92 52.24 -31.93 25.76 52.77 -33.49 23.73 51.00 -34.06 24.75 50.58 -32.67 23.76 52.30 -33.61 23.87 53.52 2 0 1000.00-999 ?-999 ?-999 ? mVAL.B 77 -33.55 22.58 50.35 -32.97 21.86 50.75 -35.16 21.07 49.26 -34.73 20.11 49.95 -34.39 22.39 49.16 -33.58 22.42 47.83 3 0 1000.00-999 ?-999 ?-999 ? mGLU.B 78 -36.26 21.02 48.54 -36.50 21.86 48.06 -36.34 18.68 47.74 -36.46 17.51 48.13 -37.04 19.79 48.49 -38.42 20.05 47.86 2 0 1000.00-999 ?-999 ?-999 ? mSER~B 79 -35.67 19.04 46.65 -35.69 20.02 46.46 -33.67 18.65 45.31 -33.66 19.59 44.51 -34.97 18.08 45.82 -35.83 17.74 44.62 2 0 1000.00-999 ?-999 ?-999 ? mILE~B 80 -32.56 18.09 45.78 -32.70 17.42 46.51 -31.16 18.26 43.73 -30.62 19.12 43.03 -31.26 18.47 45.25 -30.11 17.74 45.99 3 0 1000.00-999 ?-999 ?-999 ? mGLU~B 81 -31.68 17.15 43.22 -32.11 16.52 43.87 -32.31 18.03 40.99 -31.78 18.54 40.01 -31.60 16.93 41.78 -32.12 15.54 41.41 2 0 1000.00-999 ?-999 ?-999 ? mSER~B 82 -33.49 18.42 41.45 -33.78 17.93 42.28 -33.53 20.80 40.93 -33.44 21.59 39.98 -34.26 19.47 40.78 -35.69 19.58 41.33 2 0 1000.00-999 ?-999 ?-999 ? mALA~B 83 -33.04 21.07 42.14 -33.18 20.35 42.83 -31.11 22.50 41.56 -30.86 23.57 41.01 -32.36 22.34 42.40 -32.03 22.50 43.88 2 0 1000.00-999 ?-999 ?-999 ? mLEU~B 84 -30.33 21.44 41.44 -30.67 20.62 41.90 -29.39 21.73 39.19 -28.72 22.50 38.51 -29.09 21.53 40.68 -28.22 20.30 40.90 3 0 1000.00-999 ?-999 ?-999 ? mGLU~B 85 -30.40 21.04 38.66 -30.83 20.38 39.27 -31.20 22.73 37.08 -30.84 23.36 36.10 -30.81 21.26 37.28 -31.96 20.35 36.87 2 0 1000.00-999 ?-999 ?-999 ? mARG~B 86 -31.97 23.27 38.01 -32.20 22.66 38.77 -31.24 25.61 37.95 -31.12 26.53 37.16 -32.42 24.65 37.89 -33.43 24.96 39.02 2 0 1000.00-999 ?-999 ?-999 ? mILE~B 87 -30.39 25.41 38.94 -30.66 24.68 39.56 -28.30 26.23 37.83 -27.82 27.29 37.42 -29.17 26.20 39.09 -28.38 25.70 40.31 3 0 1000.00-999 ?-999 ?-999 ? mGLU~B 88 -28.12 25.07 37.22 -28.57 24.28 37.66 -28.00 25.78 34.88 -27.35 26.48 34.13 -27.33 24.99 35.99 -27.07 23.53 35.61 2 0 1000.00-999 ?-999 ?-999 ? mSER~B 89 -29.33 25.70 34.81 -29.76 25.11 35.49 -29.95 27.93 33.95 -30.04 28.68 32.99 -30.07 26.42 33.78 -31.55 26.00 33.75 2 0 1000.00-999 ?-999 ?-999 ? mLEU~B 90 -29.75 28.37 35.19 -29.71 27.64 35.87 -28.17 30.31 35.52 -27.92 31.44 35.96 -29.60 29.78 35.51 -30.25 30.06 36.87 3 0 1000.00-999 ?-999 ?-999 ? mGLY.B 91 -27.21 29.49 35.09 -27.51 28.56 34.87 -24.91 29.56 36.09 -23.76 30.01 36.13 -25.84 29.94 34.96-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mGLY.B 92 -25.37 28.73 37.03 -26.35 28.52 36.96 -23.96 26.86 37.60 -24.21 26.43 36.46 -24.52 28.19 38.07-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mLYS^B 93 -23.23 26.18 38.47 -23.17 26.62 39.37 -22.59 23.98 39.34 -22.43 24.41 40.47 -22.58 24.92 38.15 -21.12 25.12 37.71 2 0 1000.00-999 ?-999 ?-999 ? mTHR^B 94 -22.77 22.69 39.09 -22.99 22.47 38.14 -21.19 21.53 40.53 -20.33 21.38 39.63 -22.65 21.70 40.15 -23.23 20.36 39.69 2 0 1000.00-999 ?-999 ?-999 ? mVAL^B 95 -20.91 21.55 41.83 -21.69 21.79 42.41 -19.58 19.77 42.82 -18.70 18.99 42.40 -19.59 21.23 42.36 -19.22 22.18 43.53 3 0 1000.00-999 ?-999 ?-999 ? mTHR^B 96 -20.54 19.38 43.65 -21.13 20.13 43.96 -22.22 17.69 43.97 -23.03 18.49 44.46 -20.72 17.99 44.06 -20.30 17.76 45.52 2 0 1000.00-999 ?-999 ?-999 ? mGLY^B 97 -22.58 16.56 43.39 -21.82 16.03 43.01 -24.53 15.59 44.64 -23.83 15.54 45.66 -23.99 16.14 43.33-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mARG^B 98 -25.80 15.20 44.63 -26.23 15.28 43.73 -25.75 13.58 46.48 -25.41 12.57 45.83 -26.50 14.72 45.80 -27.87 14.23 45.36 2 0 1000.00-999 ?-999 ?-999 ? mTHR^B 99 -25.48 13.73 47.77 -25.91 14.53 48.18 -25.25 12.55 49.86 -25.57 13.50 50.57 -24.63 12.79 48.51 -23.23 13.41 48.72 2 0 1000.00-999 ?-999 ?-999 ? mPRO^B 100 -25.49 11.28 50.24 -25.35 10.55 49.57 -24.94 11.60 52.67 -23.72 11.35 52.55 -25.94 11.10 51.63 -26.15 9.58 51.76 3 0 1000.00-999 ?-999 ?-999 ? mVAL^B 101 -25.45 12.29 53.67 -26.44 12.44 53.58 -25.37 12.38 56.08 -26.59 12.56 56.22 -24.67 12.77 54.80 -24.47 14.29 54.72 3 0 1000.00-999 ?-999 ?-999 ? mGLY.B 102 -24.63 11.78 57.01 -23.66 11.68 56.79 -26.38 10.36 57.97 -26.33 9.65 56.97 -25.24 11.33 58.24-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mASN.B 103 -27.38 10.36 58.84 -27.25 11.04 59.58 -29.80 10.11 58.21 -30.73 9.40 57.87 -28.53 9.48 58.76 -28.92 8.96 60.16 2 0 1000.00-999 ?-999 ?-999 ? mMET.B 104 -29.85 11.44 58.15 -28.97 11.90 58.23 -31.34 12.80 56.63 -32.49 13.18 56.35 -31.12 12.13 57.97 -31.32 13.13 59.11 2 0 1000.00-999 ?-999 ?-999 ? mGLY^B 105 -30.32 12.92 55.81 -29.46 12.49 56.11 -29.34 13.60 53.57 -28.45 12.75 53.66 -30.49 13.65 54.55-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mPHE^B 106 -29.35 14.55 52.63 -30.07 15.23 52.75 -27.88 16.01 51.37 -28.62 16.99 51.62 -28.40 14.60 51.54 -29.07 14.17 50.23 3 0 1000.00-999 ?-999 ?-999 ? mALA^B 107 -26.65 16.10 50.92 -26.20 15.22 50.78 -25.50 17.47 49.23 -25.31 16.45 48.58 -26.00 17.40 50.65 -24.86 17.64 51.63 2 0 1000.00-999 ?-999 ?-999 ? mALA^B 108 -25.29 18.70 48.78 -25.63 19.42 49.39 -24.05 20.38 47.58 -24.32 21.13 48.52 -24.62 18.98 47.51 -25.58 18.85 46.34 2 0 1000.00-999 ?-999 ?-999 ? mTYR^B 109 -23.23 20.70 46.60 -23.07 19.96 45.94 -22.65 22.49 45.06 -22.57 21.70 44.12 -22.61 22.02 46.50 -21.15 21.94 46.95 3 0 1000.00-999 ?-999 ?-999 ? mPHE^B 110 -22.84 23.79 44.88 -22.96 24.31 45.72 -22.15 25.73 43.62 -21.88 26.23 44.69 -22.87 24.39 43.56 -24.30 24.58 43.08 3 0 1000.00-999 ?-999 ?-999 ? mTHR^B 111 -21.80 26.28 42.47 -21.86 25.68 41.67 -22.49 28.47 41.80 -23.16 28.04 40.82 -21.36 27.66 42.42 -20.08 27.86 41.61 2 0 1000.00-999 ?-999 ?-999 ? mASP.B 112 -22.70 29.64 42.37 -22.14 29.80 43.19 -23.17 31.33 40.61 -22.12 30.99 40.05 -23.67 30.60 41.85 -24.12 31.54 42.97 2 0 1000.00-999 ?-999 ?-999 ? mSER.B 113 -23.93 32.29 40.14 -24.74 32.46 40.69 -22.27 33.80 39.02 -21.73 34.25 38.01 -23.58 33.03 38.91 -24.71 34.00 38.56 2 0 1000.00-999 ?-999 ?-999 ? mGLU.B 114 -21.84 33.99 40.25 -22.40 33.53 40.94 -19.46 33.93 40.97 -18.43 34.47 41.40 -20.65 34.79 40.59 -20.97 35.75 41.73 2 0 1000.00-999 ?-999 ?-999 ? mGLY.B 115 -19.63 32.61 40.87 -20.54 32.35 40.56 -18.44 31.32 42.65 -17.50 30.62 43.05 -18.57 31.65 41.19-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mASN.B 116 -19.36 31.78 43.48 -20.08 32.34 43.06 -19.83 30.05 45.15 -20.89 29.71 44.60 -19.29 31.45 44.92 -20.15 32.40 45.77 2 0 1000.00-999 ?-999 ?-999 ? mVAL^B 117 -19.19 29.28 46.03 -18.35 29.69 46.39 -20.74 28.12 47.49 -20.57 28.87 48.47 -19.67 27.97 46.42 -18.54 27.04 46.92 3 0 1000.00-999 ?-999 ?-999 ? mVAL^B 118 -21.86 27.43 47.27 -21.83 26.90 46.42 -23.46 25.99 48.33 -23.31 25.18 47.40 -23.03 27.45 48.15 -24.17 28.27 47.53 3 0 1000.00-999 ?-999 ?-999 ? mGLY^B 119 -23.98 25.67 49.51 -23.98 26.40 50.20 -25.96 24.16 49.57 -26.72 25.13 49.58 -24.48 24.34 49.77-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mLEU^B 120 -26.35 22.90 49.44 -25.59 22.25 49.34 -27.90 21.37 50.46 -27.00 20.56 50.68 -27.73 22.47 49.45 -28.15 21.90 48.11 3 0 1000.00-999 ?-999 ?-999 ? mTRP^B 121 -29.08 21.32 51.07 -29.67 22.09 50.84 -30.87 19.78 51.60 -31.75 20.62 51.41 -29.47 20.25 51.99 -29.48 20.73 53.44 3 0 1000.00-999 ?-999 ?-999 ? mGLU^B 122 -31.05 18.46 51.52 -30.21 17.92 51.63 -32.60 16.86 52.42 -31.85 15.90 52.58 -32.35 17.85 51.29 -32.37 17.15 49.93 2 0 1000.00-999 ?-999 ?-999 ? mTHR^B 123 -33.65 17.11 53.20 -34.12 17.98 53.02 -34.65 14.98 53.55 -35.40 15.12 52.57 -34.04 16.17 54.24 -35.05 16.83 55.20 2 0 1000.00-999 ?-999 ?-999 ? mALA.B 124 -34.33 13.78 54.05 -33.73 13.80 54.84 -36.33 12.45 53.72 -36.76 12.56 54.87 -34.84 12.56 53.45 -34.10 11.34 54.01 2 0 1000.00-999 ?-999 ?-999 ? mARG.B 125 -37.10 12.22 52.66 -36.60 12.15 51.80 -38.99 11.03 51.72 -40.17 10.70 51.68 -38.54 12.09 52.73 -39.24 13.43 52.42 2 0 1000.00-999 ?-999 ?-999 ? mGLN.C -1 -15.24 46.69 35.16 -14.69 46.71 34.33 -16.41 45.19 36.70 -16.57 44.40 35.76 -16.05 46.66 36.41 -17.32 47.50 36.23 2 0 1000.00-999 ?-999 ?-999 ? mGLY.C 0 -16.53 44.84 37.99 -16.46 45.60 38.63 -15.57 42.55 38.02 -15.75 41.35 37.81 -16.73 43.45 38.39-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mMET.C 1 -14.38 43.13 37.94 -14.38 44.11 38.15 -12.20 42.28 38.72 -11.07 41.83 38.55 -13.19 42.38 37.56 -12.51 43.03 36.35 2 0 1000.00-999 ?-999 ?-999 ? mTHR.C 2 -12.64 42.72 39.90 -13.59 43.05 39.89 -11.19 41.32 41.31 -11.89 40.31 41.31 -11.80 42.70 41.08 -12.58 43.11 42.34 2 0 1000.00-999 ?-999 ?-999 ? mGLY.C 3 -9.87 41.28 41.49 -9.41 42.16 41.39 -8.53 39.41 40.60 -7.59 38.62 40.73 -9.18 40.04 41.82-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mARG.C 4 -9.03 39.75 39.42 -9.74 40.46 39.47 -7.12 39.55 37.91 -6.76 40.70 38.11 -8.57 39.13 38.18 -9.43 39.54 36.99 2 0 1000.00-999 ?-999 ?-999 ? mILE^C 5 -6.32 38.61 37.38 -6.73 37.70 37.33 -5.09 39.46 35.50 -5.42 38.69 34.57 -4.96 38.93 36.93 -4.05 37.72 37.01 3 0 1000.00-999 ?-999 ?-999 ? mVAL^C 6 -4.83 40.76 35.35 -4.39 41.19 36.14 -3.95 41.99 33.32 -4.12 42.53 32.24 -5.16 41.49 34.13 -6.12 42.67 34.43 3 0 1000.00-999 ?-999 ?-999 ? mHIS^C 7 -2.74 41.84 33.87 -2.71 41.27 34.69 -0.36 41.83 33.86 -0.42 41.23 34.95 -1.59 42.50 33.29 -1.58 43.99 33.67 3 0 1000.00-999 ?-999 ?-999 ? mPHE^C 8 0.75 41.91 33.13 0.62 42.33 32.23 3.09 42.45 33.28 2.92 43.26 32.36 2.04 41.43 33.63 2.43 40.07 33.02 3 0 1000.00-999 ?-999 ?-999 ? mGLU^C 9 4.20 42.41 34.02 4.16 41.74 34.77 6.62 42.44 33.75 6.82 41.65 34.67 5.36 43.28 33.72 5.50 44.43 34.73 2 0 1000.00-999 ?-999 ?-999 ? mILE^C 10 7.48 42.64 32.77 7.14 43.26 32.06 9.85 43.10 32.82 9.90 43.96 31.95 8.78 42.02 32.74 8.96 41.19 31.45 3 0 1000.00-999 ?-999 ?-999 ? mPRO^C 11 10.72 43.03 33.84 10.59 42.27 34.49 12.98 43.73 33.03 13.24 42.57 32.69 11.78 44.03 33.95 12.18 43.96 35.41 3 0 1000.00-999 ?-999 ?-999 ? mPHE^C 12 13.68 44.78 32.62 13.30 45.66 32.89 16.03 45.48 32.38 15.82 46.40 33.17 14.90 44.62 31.84 14.66 44.90 30.35 3 0 1000.00-999 ?-999 ?-999 ? mASP.C 13 17.24 45.06 32.00 17.22 44.16 31.56 18.83 46.65 30.95 19.32 47.79 31.07 18.46 45.85 32.19 19.58 44.89 32.59 2 0 1000.00-999 ?-999 ?-999 ? mASP~C 14 18.61 46.08 29.77 18.24 45.15 29.84 17.58 46.69 27.68 17.20 45.65 27.17 18.87 46.75 28.49 20.02 46.02 27.78 2 0 1000.00-999 ?-999 ?-999 ? mGLY~C 15 16.90 47.82 27.59 17.36 48.60 28.01 15.61 47.41 25.51 14.77 46.62 25.12 15.60 47.89 26.93-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mASP~C 16 16.57 47.87 24.70 17.25 48.47 25.11 16.78 45.96 23.16 16.18 45.29 22.31 16.56 47.46 23.30 17.64 48.19 22.50 2 0 1000.00-999 ?-999 ?-999 ? mARG~C 17 17.67 45.43 23.99 18.09 46.09 24.62 16.74 43.19 24.33 16.42 42.21 23.66 17.97 44.01 23.96 19.11 43.69 24.91 2 0 1000.00-999 ?-999 ?-999 ? mALA~C 18 16.09 43.61 25.40 16.48 44.44 25.80 13.77 42.96 24.90 13.14 41.95 24.63 14.90 42.91 25.91 14.47 43.50 27.23 2 0 1000.00-999 ?-999 ?-999 ? mARG~C 19 13.51 44.12 24.32 14.08 44.88 24.63 12.75 43.38 22.10 11.87 42.70 21.60 12.46 44.24 23.32 12.24 45.72 22.95 2 0 1000.00-999 ?-999 ?-999 ? mALA~C 20 13.98 43.42 21.61 14.63 44.01 22.09 14.15 41.14 20.75 13.62 40.39 19.93 14.32 42.62 20.45 15.73 42.91 20.01 2 0 1000.00-999 ?-999 ?-999 ? mPHE~C 21 14.57 40.74 21.94 14.98 41.46 22.50 13.00 38.85 22.30 12.71 37.82 21.68 14.44 39.34 22.37 15.00 39.13 23.78 3 0 1000.00-999 ?-999 ?-999 ? mTYR~C 22 12.08 39.58 22.90 12.41 40.42 23.32 10.00 39.30 21.54 9.15 38.47 21.18 10.69 39.15 22.90 9.90 39.86 24.03 3 0 1000.00-999 ?-999 ?-999 ? mARG~C 23 10.37 40.33 20.76 11.01 40.97 21.18 10.30 39.28 18.58 9.49 38.65 17.89 9.85 40.46 19.40 10.37 41.74 18.75 2 0 1000.00-999 ?-999 ?-999 ? mASP~C 24 11.58 38.96 18.70 12.07 39.52 19.36 11.73 36.50 18.39 11.41 35.65 17.57 12.19 37.88 17.92 13.73 37.99 17.97 2 0 1000.00-999 ?-999 ?-999 ? mALA~C 25 11.65 36.30 19.71 11.82 37.11 20.27 9.88 34.60 20.04 9.57 33.47 19.68 11.33 34.97 20.26 11.67 34.89 21.77 2 0 1000.00-999 ?-999 ?-999 ? mPHE~C 26 8.98 35.56 20.25 9.36 36.47 20.36 6.70 36.05 19.34 5.52 35.76 19.16 7.55 35.23 20.31 7.03 35.38 21.74 3 0 1000.00-999 ?-999 ?-999 ? mGLY~C 27 7.28 37.09 18.74 8.25 37.23 18.96 5.62 38.92 18.52 4.68 39.43 17.92 6.52 37.92 17.82-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mTRP.C 28 5.89 39.19 19.80 6.61 38.64 20.21 5.29 41.57 19.83 6.33 41.88 19.25 5.15 40.21 20.51 5.66 40.34 21.95 3 0 1000.00-999 ?-999 ?-999 ? mALA^C 29 4.20 42.33 19.88 3.39 41.85 20.21 4.53 44.56 20.71 3.86 44.49 21.74 4.19 43.73 19.48 2.83 44.13 18.90 2 0 1000.00-999 ?-999 ?-999 ? mILE^C 30 5.61 45.31 20.61 6.04 45.30 19.71 6.31 47.50 21.24 6.93 47.73 20.17 6.10 46.08 21.72 7.40 45.48 22.25 3 0 1000.00-999 ?-999 ?-999 ? mALA^C 31 5.75 48.45 21.98 5.24 48.11 22.77 6.41 50.63 22.84 5.83 50.61 23.91 5.87 49.86 21.65 4.54 50.42 21.23 2 0 1000.00-999 ?-999 ?-999 ? mGLU^C 32 7.52 51.34 22.65 7.96 51.21 21.76 7.07 53.44 23.81 6.71 54.05 22.80 8.01 52.23 23.69 9.42 52.73 23.35 2 0 1000.00-999 ?-999 ?-999 ? mILE^C 33 6.68 53.75 25.04 7.06 53.15 25.74 6.57 55.85 26.22 6.50 55.77 27.46 5.79 54.88 25.33 4.50 54.45 26.04 3 0 1000.00-999 ?-999 ?-999 ? mPRO~C 34 7.30 56.78 25.60 7.15 56.85 24.62 7.61 58.38 27.50 8.15 58.36 28.61 8.23 57.62 26.34 8.74 58.59 25.28 3 0 1000.00-999 ?-999 ?-999 ? mASP~C 35 6.47 59.03 27.27 6.10 58.95 26.34 5.28 58.98 29.51 4.92 59.54 30.53 5.86 59.79 28.35 4.87 60.87 27.83 2 0 1000.00-999 ?-999 ?-999 ? mMET~C 36 5.20 57.65 29.36 5.44 57.32 28.44 5.96 55.92 30.99 5.75 55.13 31.92 4.80 56.76 30.44 3.63 55.86 29.99 2 0 1000.00-999 ?-999 ?-999 ? mASP~C 37 7.16 56.10 30.45 7.17 56.74 29.69 8.19 53.87 30.99 8.55 53.22 31.99 8.36 55.39 30.95 8.73 55.89 32.36 2 0 1000.00-999 ?-999 ?-999 ? mTYR^C 38 7.64 53.31 29.93 7.32 53.95 29.23 7.28 51.45 28.38 7.09 52.30 27.52 7.52 51.84 29.83 6.44 51.26 30.77 3 0 1000.00-999 ?-999 ?-999 ? mSER^C 39 7.31 50.15 28.12 7.53 49.56 28.89 5.80 48.76 26.90 5.77 47.82 27.70 7.04 49.65 26.80 8.22 48.85 26.28 2 0 1000.00-999 ?-999 ?-999 ? mMET^C 40 4.78 49.10 26.13 4.94 49.93 25.60 3.81 47.04 25.28 4.46 47.08 24.25 3.54 48.33 26.05 2.44 49.17 25.35 2 0 1000.00-999 ?-999 ?-999 ? mVAL^C 41 3.32 45.91 25.80 2.82 46.05 26.65 2.11 44.01 24.85 1.25 43.93 25.71 3.47 44.59 25.19 4.20 43.60 26.12 3 0 1000.00-999 ?-999 ?-999 ? mTHR^C 42 1.93 43.65 23.58 2.70 43.86 22.98 1.03 41.57 22.71 1.80 41.37 21.77 0.70 42.99 23.12 0.07 43.76 21.95 2 0 1000.00-999 ?-999 ?-999 ? mTHR.C 43 0.46 40.60 23.44 -0.17 40.92 24.15 -0.32 38.44 22.39 -0.07 37.38 21.85 0.74 39.18 23.18 1.04 38.38 24.48 2 0 1000.00-999 ?-999 ?-999 ? mGLY.C 44 -1.51 39.03 22.29 -1.59 39.90 22.78 -3.53 39.55 21.07 -3.36 40.73 21.44 -2.59 38.46 21.52-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mPRO.C 45 -4.50 39.17 20.23 -4.61 38.18 20.12 -6.14 41.05 20.44 -6.59 40.65 21.53 -5.31 40.15 19.54 -6.18 39.30 18.62 3 0 1000.00-999 ?-999 ?-999 ? mVAL.C 46 -6.32 42.28 19.98 -5.91 42.46 19.09 -8.17 43.87 19.91 -8.10 43.82 18.70 -7.07 43.27 20.73 -6.17 44.41 21.25 3 0 1000.00-999 ?-999 ?-999 ? mGLY.C 47 -9.17 44.42 20.60 -9.06 44.33 21.59 -9.96 46.52 19.69 -8.81 46.94 19.82 -10.30 45.08 19.96-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mGLU.C 48 -10.96 47.30 19.29 -11.84 46.83 19.23 -10.32 49.55 20.18 -9.64 50.57 20.02 -10.76 48.71 18.97 -12.06 49.26 18.36 2 0 1000.00-999 ?-999 ?-999 ? mSER.C 49 -10.69 49.12 21.38 -11.25 48.29 21.36 -8.91 49.38 23.12 -8.46 49.89 24.14 -10.30 49.81 22.60 -11.32 49.55 23.70 2 0 1000.00-999 ?-999 ?-999 ? mGLY.C 50 -8.25 48.45 22.43 -8.73 48.11 21.62 -6.91 46.88 23.89 -5.85 46.48 24.37 -6.91 47.99 22.86-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mMET.C 51 -8.09 46.37 24.23 -8.87 46.79 23.77 -8.36 43.96 24.46 -8.82 43.92 23.32 -8.21 45.28 25.19 -9.42 45.49 26.10 2 0 1000.00-999 ?-999 ?-999 ? mPRO.C 52 -7.99 42.85 25.12 -7.60 42.97 26.04 -9.60 41.40 23.93 -10.56 41.74 24.62 -8.17 41.58 24.43 -7.82 40.56 25.51 3 0 1000.00-999 ?-999 ?-999 ? mASP.C 53 -9.71 40.87 22.70 -8.82 40.63 22.29 -11.48 39.20 22.10 -12.44 38.82 21.43 -11.00 40.65 22.04 -10.93 41.14 20.58 2 0 1000.00-999 ?-999 ?-999 ? mGLU.C 54 -10.80 38.40 22.92 -10.08 38.88 23.42 -10.53 36.60 24.46 -9.51 37.15 24.87 -11.05 36.98 23.07 -10.32 36.18 21.98 2 0 1000.00-999 ?-999 ?-999 ? mPRO.C 55 -11.20 35.67 25.18 -12.04 35.33 24.76 -9.40 34.41 26.40 -9.03 33.87 25.36 -10.68 35.24 26.48 -11.83 34.38 27.04 3 0 1000.00-999 ?-999 ?-999 ? mGLY.C 56 -8.72 34.37 27.55 -9.01 35.06 28.22 -6.21 33.92 27.81 -5.28 33.14 27.92 -7.64 33.41 27.79-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mTYR.C 57 -6.04 35.23 27.67 -6.88 35.75 27.57 -4.69 37.25 28.12 -5.75 37.92 28.14 -4.68 35.79 27.67 -4.02 35.69 26.27 3 0 1000.00-999 ?-999 ?-999 ? mILE.C 58 -3.52 37.74 28.49 -2.77 37.08 28.47 -2.17 39.73 28.17 -1.27 39.04 27.67 -3.34 39.12 28.89 -3.12 39.28 30.42 3 0 1000.00-999 ?-999 ?-999 ? mASN.C 59 -2.22 41.05 28.11 -3.07 41.44 28.45 -0.38 42.43 28.79 -0.72 42.16 29.93 -1.12 41.84 27.58 -1.64 42.88 26.58 2 0 1000.00-999 ?-999 ?-999 ? mGLY^C 60 0.68 43.19 28.52 0.80 43.44 27.56 2.46 44.74 29.27 2.15 45.56 28.40 1.57 43.60 29.61-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mGLY^C 61 3.58 44.80 29.98 3.71 44.05 30.62 5.92 45.46 30.19 6.12 44.43 30.85 4.53 45.90 29.82-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mMET^C 62 6.89 46.22 29.73 6.58 46.95 29.11 8.79 47.32 30.68 8.44 48.40 30.21 8.27 46.01 30.11 9.10 45.52 28.92 2 0 1000.00-999 ?-999 ?-999 ? mMET^C 63 9.59 47.20 31.74 9.82 46.26 31.98 11.54 48.16 32.83 12.00 47.04 33.01 10.09 48.37 32.45 9.25 48.63 33.70 2 0 1000.00-999 ?-999 ?-999 ? mGLN^C 64 12.27 49.27 32.98 11.81 50.11 32.70 13.57 48.64 34.94 12.75 49.04 35.79 13.62 49.20 33.52 14.27 50.59 33.54 2 0 1000.00-999 ?-999 ?-999 ? mARG.C 65 14.41 47.64 35.19 15.00 47.39 34.43 14.66 47.98 37.63 15.50 48.86 37.49 14.44 46.97 36.49 15.53 45.88 36.50 2 0 1000.00-999 ?-999 ?-999 ? mGLY.C 66 13.89 47.83 38.71 13.31 47.02 38.62 12.76 48.29 40.86 12.86 47.25 41.51 13.88 48.74 39.90-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mGLU.C 67 11.67 49.06 40.93 11.78 49.94 40.47 10.02 47.19 41.37 9.55 46.45 42.25 10.43 48.65 41.63 9.27 49.50 41.11 2 0 1000.00-999 ?-999 ?-999 ? mVAL.C 68 10.15 46.82 40.11 10.42 47.57 39.50 11.38 44.98 39.54 12.16 45.50 38.74 9.94 45.49 39.63 9.19 45.57 38.26 3 0 1000.00-999 ?-999 ?-999 ? mTHR.C 69 11.78 44.06 40.42 11.13 43.85 41.15 12.99 42.13 39.51 13.95 41.69 38.95 13.12 43.44 40.26 13.95 43.19 41.58 2 0 1000.00-999 ?-999 ?-999 ? mTHR.C 70 11.80 41.52 39.50 11.09 41.97 40.04 10.14 40.40 38.16 9.41 41.33 38.49 11.56 40.30 38.74 11.68 39.06 39.61 2 0 1000.00-999 ?-999 ?-999 ? mPRO.C 71 9.77 39.48 37.26 10.44 38.77 37.05 7.30 39.68 37.70 7.38 39.06 38.76 8.41 39.61 36.67 8.30 38.38 35.80 3 0 1000.00-999 ?-999 ?-999 ? mVAL^C 72 6.27 40.45 37.36 6.34 40.84 36.44 3.86 40.45 37.48 3.77 40.76 36.28 5.16 40.69 38.26 5.20 42.14 38.81 3 0 1000.00-999 ?-999 ?-999 ? mVAL^C 73 2.89 39.86 38.16 3.20 39.42 39.01 0.69 40.86 38.49 1.02 41.14 39.64 1.49 39.86 37.68 0.83 38.50 37.70 3 0 1000.00-999 ?-999 ?-999 ? mTHR^C 74 -0.34 41.42 37.84 -0.55 40.97 36.97 -2.55 42.23 38.54 -3.19 41.72 37.62 -1.08 42.58 38.36 -1.06 43.69 37.36 2 0 1000.00-999 ?-999 ?-999 ? mVAL^C 75 -3.05 42.47 39.75 -2.38 42.87 40.37 -5.29 43.45 40.05 -4.91 44.51 40.57 -4.43 42.17 40.15 -4.45 41.69 41.61 3 0 1000.00-999 ?-999 ?-999 ? mASP^C 76 -6.42 43.33 39.37 -6.53 42.46 38.90 -8.09 44.59 40.66 -8.54 43.60 41.24 -7.39 44.41 39.33 -8.45 44.06 38.28 2 0 1000.00-999 ?-999 ?-999 ? mVAL.C 77 -8.19 45.83 41.13 -7.69 46.51 40.59 -9.77 47.38 42.12 -9.42 48.24 41.29 -8.97 46.12 42.33 -8.07 46.29 43.60 3 0 1000.00-999 ?-999 ?-999 ? mGLU.C 78 -10.84 47.53 42.88 -11.02 46.77 43.51 -10.96 49.95 43.36 -11.11 51.07 42.85 -11.67 48.74 42.79 -12.99 48.50 43.53 2 0 1000.00-999 ?-999 ?-999 ? mSER~C 79 -10.19 49.73 44.41 -10.14 48.77 44.69 -8.16 50.29 45.62 -8.10 49.43 46.48 -9.50 50.81 45.10 -10.34 51.30 46.27 2 0 1000.00-999 ?-999 ?-999 ? mILE~C 80 -7.09 50.87 45.10 -7.27 51.53 44.38 -5.61 50.85 47.08 -5.05 50.06 47.81 -5.76 50.53 45.59 -4.68 51.18 44.74 3 0 1000.00-999 ?-999 ?-999 ? mGLU~C 81 -6.13 51.98 47.53 -6.60 52.54 46.85 -6.70 51.27 49.83 -6.13 50.81 50.81 -6.01 52.31 48.94 -6.57 53.71 49.20 2 0 1000.00-999 ?-999 ?-999 ? mSER~C 82 -7.91 50.87 49.48 -8.27 51.32 48.66 -7.89 48.51 50.18 -7.73 47.82 51.20 -8.61 49.86 50.25 -10.04 49.67 49.76 2 0 1000.00-999 ?-999 ?-999 ? mALA~C 83 -7.39 48.17 48.99 -7.51 48.86 48.27 -5.43 46.78 49.59 -5.13 45.76 50.22 -6.74 46.89 48.79 -6.48 46.63 47.31 2 0 1000.00-999 ?-999 ?-999 ? mLEU~C 84 -4.65 47.85 49.59 -4.99 48.62 49.06 -3.67 47.71 51.82 -2.93 47.03 52.54 -3.40 47.83 50.32 -2.57 49.09 50.02 3 0 1000.00-999 ?-999 ?-999 ? mGLU~C 85 -4.70 48.40 52.30 -5.16 48.99 51.63 -5.45 46.83 54.08 -5.00 46.27 55.08 -5.10 48.29 53.71 -6.29 49.19 53.99 2 0 1000.00-999 ?-999 ?-999 ? mARG~C 86 -6.24 46.21 53.21 -6.52 46.78 52.44 -5.43 43.88 53.34 -5.25 42.99 54.17 -6.63 44.82 53.40 -7.66 44.42 52.35 2 0 1000.00-999 ?-999 ?-999 ? mILE~C 87 -4.57 44.09 52.35 -4.83 44.85 51.75 -2.49 43.33 53.43 -1.99 42.31 53.89 -3.37 43.27 52.18 -2.62 43.71 50.90 3 0 1000.00-999 ?-999 ?-999 ? mGLU~C 88 -2.31 44.53 53.97 -2.76 45.27 53.48 -2.17 43.97 56.40 -1.49 43.30 57.19 -1.50 44.66 55.20 -1.20 46.15 55.48 2 0 1000.00-999 ?-999 ?-999 ? mSER~C 89 -3.49 44.09 56.48 -3.92 44.64 55.77 -4.04 41.92 57.47 -4.03 41.22 58.51 -4.21 43.44 57.56 -5.68 43.83 57.55 2 0 1000.00-999 ?-999 ?-999 ? mLEU~C 90 -3.87 41.40 56.27 -3.84 42.08 55.53 -2.29 39.46 56.08 -2.05 38.26 55.83 -3.72 39.96 56.06 -4.37 39.59 54.71 3 0 1000.00-999 ?-999 ?-999 ? mGLY.C 91 -1.34 40.36 56.31 -1.66 41.31 56.34 0.95 40.22 55.32 2.07 39.72 55.30 0.04 39.97 56.49-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mGLY.C 92 0.44 40.92 54.32 -0.55 41.06 54.35 1.85 42.82 53.60 1.65 43.33 54.69 1.31 41.44 53.27-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mLYS^C 93 2.55 43.44 52.65 2.59 42.95 51.77 3.17 45.57 51.64 3.41 45.06 50.58 3.19 44.73 52.90 4.64 44.54 53.34 2 0 1000.00-999 ?-999 ?-999 ? mTHR^C 94 2.92 46.86 51.77 2.66 47.15 52.69 4.50 47.95 50.22 5.36 48.20 51.07 3.04 47.76 50.62 2.45 49.12 50.97 2 0 1000.00-999 ?-999 ?-999 ? mVAL^C 95 4.75 47.88 48.92 3.96 47.62 48.37 6.09 49.60 47.78 6.95 50.40 48.12 6.07 48.18 48.35 6.46 47.17 47.24 3 0 1000.00-999 ?-999 ?-999 ? mTHR^C 96 5.11 49.90 46.94 4.54 49.11 46.72 3.38 51.50 46.44 2.57 50.62 46.06 4.88 51.23 46.38 5.31 51.31 44.89 2 0 1000.00-999 ?-999 ?-999 ? mGLY^C 97 2.99 52.68 46.92 3.73 53.28 47.22 1.00 53.51 45.70 1.65 53.48 44.66 1.59 53.05 47.01-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mARG^C 98 -0.26 53.92 45.76 -0.63 53.93 46.69 -0.29 55.39 43.76 0.08 56.42 44.30 -1.02 54.34 44.58 -2.38 54.86 45.02 2 0 1000.00-999 ?-999 ?-999 ? mTHR^C 99 -0.10 55.11 42.46 -0.57 54.27 42.18 -0.13 56.01 40.25 -0.51 55.01 39.70 0.68 55.91 41.54 2.00 55.17 41.18 2 0 1000.00-999 ?-999 ?-999 ? mPRO^C 100 -0.35 57.22 39.73 -0.05 57.99 40.28 -0.18 56.71 37.31 1.04 56.88 37.28 -1.01 57.32 38.43 -1.22 58.83 38.23 3 0 1000.00-999 ?-999 ?-999 ? mVAL^C 101 -0.85 56.03 36.39 -1.81 55.91 36.61 -0.89 56.17 33.99 -2.00 55.85 33.61 -0.23 55.49 35.19 -0.34 53.97 35.15 3 0 1000.00-999 ?-999 ?-999 ? mGLY.C 102 -0.19 57.15 33.46 0.76 57.19 33.78 -2.17 58.52 32.97 -2.36 58.84 34.13 -0.79 58.08 32.49-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mASN.C 103 -3.14 58.53 32.05 -2.81 58.31 31.13 -5.41 57.59 32.31 -6.63 57.67 32.19 -4.53 58.84 32.35 -5.05 59.88 31.36 2 0 1000.00-999 ?-999 ?-999 ? mMET.C 104 -4.76 56.42 32.44 -3.80 56.53 32.68 -5.88 54.55 33.59 -6.86 53.81 33.66 -5.40 55.13 32.25 -4.37 54.15 31.61 2 0 1000.00-999 ?-999 ?-999 ? mGLY^C 105 -5.17 54.88 34.65 -4.45 55.56 34.49 -4.32 54.51 36.93 -3.58 55.46 36.81 -5.44 54.28 35.95-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mPHE^C 106 -4.25 53.61 37.90 -4.89 52.86 37.78 -2.76 52.34 39.32 -3.45 51.33 39.17 -3.33 53.71 39.03 -4.06 54.27 40.27 3 0 1000.00-999 ?-999 ?-999 ? mALA^C 107 -1.49 52.33 39.69 -1.09 53.25 39.70 -0.19 51.20 41.42 0.01 52.27 41.96 -0.77 51.11 40.03 0.34 50.91 39.02 2 0 1000.00-999 ?-999 ?-999 ? mALA^C 108 0.06 50.01 41.99 -0.31 49.23 41.50 1.46 48.53 43.21 1.12 47.67 42.40 0.81 49.88 43.21 -0.07 50.06 44.45 2 0 1000.00-999 ?-999 ?-999 ? mTYR^C 109 2.36 48.32 44.17 2.53 49.12 44.74 3.00 46.67 45.83 3.10 47.56 46.73 3.04 47.04 44.36 4.50 47.10 43.88 3 0 1000.00-999 ?-999 ?-999 ? mPHE^C 110 2.86 45.38 46.09 2.76 44.81 45.28 3.60 43.52 47.45 3.83 42.91 46.42 2.87 44.85 47.44 1.45 44.68 47.99 3 0 1000.00-999 ?-999 ?-999 ? mTHR^C 111 4.01 43.08 48.64 3.98 43.76 49.37 3.35 40.91 49.50 2.66 41.38 50.42 4.46 41.71 48.81 5.76 41.60 49.59 2 0 1000.00-999 ?-999 ?-999 ? mASP.C 112 3.15 39.70 49.00 3.73 39.48 48.21 2.69 38.15 50.85 3.76 38.52 51.34 2.17 38.78 49.56 1.71 37.79 48.47 2 0 1000.00-999 ?-999 ?-999 ? mSER.C 113 1.95 37.20 51.39 1.11 36.96 50.90 3.67 35.78 52.53 4.26 35.42 53.55 2.37 36.56 52.62 1.26 35.65 53.12 2 0 1000.00-999 ?-999 ?-999 ? mGLU.C 114 4.12 35.53 51.30 3.57 35.95 50.58 6.45 35.60 50.52 7.47 35.07 50.10 5.29 34.73 51.01 4.97 33.68 49.93 2 0 1000.00-999 ?-999 ?-999 ? mGLY.C 115 6.28 36.92 50.59 5.40 37.22 50.96 7.43 38.10 48.68 8.35 38.78 48.24 7.30 37.85 50.16-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mASN.C 116 6.50 37.56 47.89 5.83 36.99 48.36 5.95 39.19 46.13 4.90 39.57 46.67 6.51 37.81 46.44 5.63 36.82 45.73 2 0 1000.00-999 ?-999 ?-999 ? mVAL^C 117 6.56 39.88 45.16 7.36 39.44 44.78 4.95 40.94 43.70 5.13 40.17 42.77 6.05 41.19 44.73 7.17 42.06 44.15 3 0 1000.00-999 ?-999 ?-999 ? mVAL^C 118 3.82 41.62 43.91 3.88 42.23 44.70 2.16 42.93 42.84 2.32 43.83 43.69 2.63 41.50 43.10 1.56 40.68 43.83 3 0 1000.00-999 ?-999 ?-999 ? mGLY^C 119 1.58 43.15 41.66 1.55 42.36 41.04 -0.47 44.55 41.57 -1.20 43.56 41.63 1.02 44.44 41.33-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mLEU^C 120 -0.91 45.80 41.72 -0.19 46.48 41.86 -2.57 47.16 40.58 -1.74 47.98 40.27 -2.31 46.16 41.70 -2.70 46.85 43.00 3 0 1000.00-999 ?-999 ?-999 ? mTRP^C 121 -3.78 47.07 40.03 -4.31 46.29 40.38 -5.67 48.49 39.38 -6.53 47.68 39.65 -4.29 48.02 39.03 -4.34 47.36 37.64 3 0 1000.00-999 ?-999 ?-999 ? mGLU^C 122 -5.85 49.81 39.38 -5.00 50.33 39.23 -7.40 51.27 38.31 -6.60 52.13 37.96 -7.14 50.45 39.57 -7.09 51.35 40.82 2 0 1000.00-999 ?-999 ?-999 ? mTHR^C 123 -8.53 51.03 37.63 -9.11 50.33 38.04 -9.30 53.17 36.74 -9.93 53.40 37.77 -8.88 51.75 36.40 -9.99 51.03 35.63 2 0 1000.00-999 ?-999 ?-999 ? mALA.C 124 -8.97 54.12 35.85 -8.41 53.79 35.09 -10.89 55.67 35.63 -11.47 54.78 34.99 -9.41 55.51 36.02 -8.55 56.41 35.19 2 0 1000.00-999 ?-999 ?-999 ? mASN.D -5 -18.68 45.15 80.53 -17.94 45.82 80.53 -19.29 42.75 80.10 -18.21 42.63 79.49 -19.79 44.14 80.52 -20.93 44.60 79.61 2 0 1000.00-999 ?-999 ?-999 ? mLEU.D -4 -20.07 41.72 80.46 -20.95 41.99 80.87 -19.81 39.92 78.81 -20.82 40.21 78.14 -19.67 40.33 80.25 -20.47 39.36 81.13 3 0 1000.00-999 ?-999 ?-999 ? mTYR.D -3 -18.80 39.22 78.33 -18.12 38.96 79.01 -19.55 37.63 76.55 -20.37 37.67 75.61 -18.72 38.87 76.91 -17.27 38.66 76.54 3 0 1000.00-999 ?-999 ?-999 ? mPHE.D -2 -19.36 36.55 77.29 -18.70 36.68 78.03 -21.42 35.36 77.74 -21.64 34.78 78.82 -20.08 35.28 77.03 -19.26 34.07 77.53 3 0 1000.00-999 ?-999 ?-999 ? mGLN.D -1 -22.30 36.16 77.17 -21.95 36.68 76.39 -24.52 36.54 76.41 -24.01 36.88 75.32 -23.66 36.27 77.63 -23.83 37.41 78.64 2 0 1000.00-999 ?-999 ?-999 ? mGLY.D 0 -25.82 36.39 76.62 -26.07 35.97 77.49 -26.60 36.09 74.32 -26.56 34.87 74.26 -26.79 36.81 75.64-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mMET.D 1 -26.42 36.89 73.29 -26.32 37.86 73.53 -25.00 35.98 71.48 -24.84 35.43 70.39 -26.39 36.41 71.93 -26.90 37.53 71.01 2 0 1000.00-999 ?-999 ?-999 ? mTHR.D 2 -23.97 36.23 72.29 -24.20 36.59 73.19 -22.39 34.57 71.31 -22.69 33.59 72.00 -22.60 35.98 71.84 -21.57 36.23 72.97 2 0 1000.00-999 ?-999 ?-999 ? mGLY.D 3 -21.90 34.52 70.08 -21.82 35.42 69.65 -22.55 32.87 68.36 -22.22 32.10 67.48 -21.53 33.30 69.39-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mARG.D 4 -23.77 33.39 68.43 -23.89 34.06 69.16 -24.42 33.36 66.05 -24.00 34.49 65.82 -24.80 32.96 67.47 -26.16 33.57 67.79 2 0 1000.00-999 ?-999 ?-999 ? mILE^D 5 -24.56 32.44 65.09 -24.74 31.52 65.42 -25.80 33.33 63.22 -26.76 32.56 63.15 -24.46 32.80 63.68 -23.97 31.62 62.83 3 0 1000.00-999 ?-999 ?-999 ? mVAL^D 6 -25.84 34.64 62.91 -24.94 35.05 62.79 -27.31 36.02 61.36 -28.35 36.58 61.10 -27.10 35.39 62.75 -27.21 36.51 63.83 3 0 1000.00-999 ?-999 ?-999 ? mHIS^D 7 -26.33 35.92 60.48 -25.57 35.33 60.75 -25.37 36.04 58.28 -24.41 35.42 58.72 -26.39 36.63 59.22 -26.05 38.10 59.51 3 0 1000.00-999 ?-999 ?-999 ? mPHE^D 8 -25.58 36.24 56.97 -26.47 36.66 56.76 -24.48 36.98 54.93 -25.42 37.75 54.75 -24.58 35.88 55.97 -24.93 34.55 55.29 3 0 1000.00-999 ?-999 ?-999 ? mGLU^D 9 -23.35 37.01 54.23 -22.65 36.38 54.55 -22.62 37.14 51.91 -21.65 36.40 52.06 -23.19 37.90 53.11 -22.26 39.08 53.46 2 0 1000.00-999 ?-999 ?-999 ? mILE^D 10 -23.21 37.35 50.75 -24.01 37.96 50.81 -22.27 37.88 48.59 -23.03 38.78 48.25 -22.74 36.75 49.50 -23.85 35.94 48.82 3 0 1000.00-999 ?-999 ?-999 ? mPRO^D 11 -20.99 37.85 48.20 -20.45 37.10 48.57 -20.82 38.60 45.85 -20.99 37.46 45.46 -20.49 38.88 47.30 -18.96 38.79 47.51 3 0 1000.00-999 ?-999 ?-999 ? mPHE^D 12 -20.88 39.66 45.05 -20.75 40.54 45.50 -20.17 40.37 42.81 -19.61 41.35 43.32 -21.12 39.53 43.63 -22.56 39.86 43.22 3 0 1000.00-999 ?-999 ?-999 ? mASP.D 13 -20.01 39.97 41.56 -20.40 39.06 41.38 -20.29 41.65 39.75 -20.01 42.82 39.43 -19.31 40.80 40.56 -18.48 39.90 39.67 2 0 1000.00-999 ?-999 ?-999 ? mASP~D 14 -21.46 41.08 39.46 -21.53 40.15 39.82 -23.80 41.64 39.52 -24.36 40.57 39.65 -22.52 41.75 38.68 -22.65 41.05 37.34 2 0 1000.00-999 ?-999 ?-999 ? mGLY~D 15 -24.20 42.74 40.14 -23.68 43.55 39.91 -26.64 42.29 40.45 -27.38 41.49 41.02 -25.33 42.72 41.07-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mASP~D 16 -26.95 42.82 39.28 -26.27 43.46 38.90 -28.20 40.96 38.32 -29.22 40.27 38.50 -28.21 42.45 38.63 -28.43 43.27 37.34 2 0 1000.00-999 ?-999 ?-999 ? mARG~D 17 -27.07 40.46 37.81 -26.34 41.12 37.66 -27.13 38.19 38.74 -27.88 37.19 38.73 -26.94 39.05 37.50 -25.58 38.73 36.87 2 0 1000.00-999 ?-999 ?-999 ? mALA~D 18 -26.45 38.56 39.82 -25.92 39.40 39.70 -27.88 37.80 41.67 -28.38 36.77 42.11 -26.50 37.78 41.07 -25.50 38.31 42.08 2 0 1000.00-999 ?-999 ?-999 ? mARG~D 19 -28.51 38.97 41.72 -27.99 39.74 41.36 -30.84 38.24 41.46 -31.71 37.54 42.01 -29.86 39.07 42.28 -30.32 40.54 42.36 2 0 1000.00-999 ?-999 ?-999 ? mALA~D 20 -30.73 38.33 40.15 -30.04 38.98 39.82 -31.38 36.02 39.51 -32.32 35.23 39.53 -31.58 37.53 39.28 -31.33 37.88 37.83 2 0 1000.00-999 ?-999 ?-999 ? mPHE~D 21 -30.11 35.62 39.71 -29.43 36.34 39.70 -30.55 33.70 41.17 -31.18 32.65 41.13 -29.81 34.21 39.92 -28.28 33.98 40.03 3 0 1000.00-999 ?-999 ?-999 ? mTYR~D 22 -30.44 34.43 42.27 -29.95 35.29 42.15 -32.54 34.12 43.61 -33.25 33.27 44.19 -31.02 33.95 43.54 -30.33 34.62 44.73 3 0 1000.00-999 ?-999 ?-999 ? mARG~D 23 -33.06 35.19 43.02 -32.40 35.87 42.70 -35.03 34.12 42.06 -36.05 33.49 42.44 -34.51 35.29 42.87 -34.93 36.61 42.22 2 0 1000.00-999 ?-999 ?-999 ? mASP~D 24 -34.38 33.84 40.93 -33.57 34.40 40.77 -34.64 31.41 40.66 -35.46 30.52 40.49 -34.86 32.79 40.03 -34.15 32.83 38.67 2 0 1000.00-999 ?-999 ?-999 ? mALA~D 25 -33.52 31.22 41.35 -32.95 32.04 41.47 -34.09 29.48 43.03 -34.56 28.34 43.08 -33.19 29.90 41.88 -31.72 29.78 42.31 2 0 1000.00-999 ?-999 ?-999 ? mPHE~D 26 -34.28 30.41 43.98 -33.94 31.32 43.74 -36.12 30.99 45.61 -36.90 30.64 46.50 -34.95 30.10 45.25 -33.96 30.15 46.41 3 0 1000.00-999 ?-999 ?-999 ? mGLY~D 27 -36.29 32.12 44.92 -35.62 32.25 44.19 -37.10 33.96 46.40 -38.02 34.49 47.01 -37.38 33.05 45.22-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mTRP.D 28 -35.82 34.14 46.72 -35.17 33.60 46.19 -36.02 36.45 47.45 -36.01 36.88 46.30 -35.45 35.07 47.78 -33.94 35.16 47.94 3 0 1000.00-999 ?-999 ?-999 ? mALA^D 29 -36.50 37.14 48.49 -36.60 36.60 49.33 -35.57 39.35 48.64 -34.94 39.21 49.68 -36.83 38.54 48.42 -37.86 38.89 49.47 2 0 1000.00-999 ?-999 ?-999 ? mILE^D 30 -35.16 40.09 47.63 -35.78 40.08 46.85 -34.21 42.34 47.40 -34.81 42.67 46.39 -33.92 40.86 47.66 -32.87 40.33 46.66 3 0 1000.00-999 ?-999 ?-999 ? mALA^D 31 -33.82 43.21 48.34 -33.33 42.80 49.11 -32.81 45.43 48.32 -32.08 45.33 49.29 -34.09 44.64 48.24 -35.01 45.04 49.37 2 0 1000.00-999 ?-999 ?-999 ? mGLU^D 32 -32.51 46.20 47.28 -33.12 46.07 46.49 -31.69 48.28 48.24 -32.74 48.92 48.14 -31.40 47.13 47.28 -31.14 47.67 45.88 2 0 1000.00-999 ?-999 ?-999 ? mILE^D 33 -30.75 48.51 49.18 -29.99 47.86 49.12 -29.68 50.55 49.88 -28.57 50.40 50.40 -30.83 49.57 50.18 -30.63 49.04 51.63 3 0 1000.00-999 ?-999 ?-999 ? mPRO~D 34 -29.93 51.56 49.03 -30.89 51.65 48.76 -28.07 53.09 49.71 -26.83 53.11 49.73 -28.83 52.43 48.56 -29.57 53.51 47.74 3 0 1000.00-999 ?-999 ?-999 ? mASP~D 35 -28.85 53.63 50.65 -29.81 53.64 50.39 -27.22 53.35 52.56 -26.32 53.91 53.20 -28.37 54.15 51.94 -29.55 54.12 52.93 2 0 1000.00-999 ?-999 ?-999 ? mMET~D 36 -27.26 52.04 52.37 -27.95 51.73 51.72 -25.44 50.34 52.10 -24.67 49.50 52.54 -26.37 51.13 53.06 -27.20 50.20 53.98 2 0 1000.00-999 ?-999 ?-999 ? mASP~D 37 -25.51 50.63 50.79 -26.22 51.31 50.58 -24.70 48.49 49.77 -23.68 47.80 49.64 -24.65 50.02 49.77 -23.21 50.51 49.92 2 0 1000.00-999 ?-999 ?-999 ? mTYR^D 38 -25.90 47.95 49.91 -26.65 48.61 50.01 -27.47 46.12 49.54 -28.37 46.96 49.47 -26.06 46.51 49.92 -25.61 45.87 51.26 3 0 1000.00-999 ?-999 ?-999 ? mSER^D 39 -27.65 44.84 49.26 -26.80 44.30 49.28 -29.32 43.33 50.10 -28.61 42.37 50.36 -28.94 44.26 48.96 -28.91 43.49 47.64 2 0 1000.00-999 ?-999 ?-999 ? mMET^D 40 -30.44 43.63 50.75 -30.89 44.46 50.41 -31.58 41.59 51.26 -32.35 41.66 50.28 -30.97 42.86 51.85 -32.04 43.65 52.61 2 0 1000.00-999 ?-999 ?-999 ? mVAL^D 41 -31.28 40.46 51.88 -30.67 40.57 52.67 -32.66 38.54 52.51 -32.20 38.31 53.62 -31.81 39.18 51.44 -30.70 38.18 51.13 3 0 1000.00-999 ?-999 ?-999 ? mTHR^D 42 -33.92 38.23 52.19 -34.20 38.48 51.26 -35.05 36.14 52.66 -35.60 35.96 51.57 -34.79 37.58 53.15 -36.07 38.40 53.33 2 0 1000.00-999 ?-999 ?-999 ? mTHR.D 43 -34.57 35.14 53.41 -34.13 35.45 54.26 -35.74 33.00 53.77 -36.18 31.93 53.35 -34.69 33.72 53.00 -33.36 32.91 53.11 2 0 1000.00-999 ?-999 ?-999 ? mGLY.D 44 -36.16 33.58 54.89 -35.66 34.42 55.13 -37.94 34.12 56.48 -37.44 35.26 56.60 -37.25 33.03 55.68-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mPRO.D 45 -39.11 33.77 57.05 -39.25 32.78 57.09 -39.61 35.62 58.71 -38.81 35.20 59.56 -40.08 34.73 57.55 -41.27 33.86 57.95 3 0 1000.00-999 ?-999 ?-999 ? mVAL.D 46 -40.11 36.85 58.70 -40.82 37.00 58.01 -40.84 38.56 60.31 -41.94 38.65 59.74 -39.65 37.89 59.64 -38.75 38.97 58.95 3 0 1000.00-999 ?-999 ?-999 ? mGLY.D 47 -40.63 39.01 61.54 -39.71 38.83 61.89 -41.67 41.19 61.94 -41.05 41.61 60.96 -41.65 39.72 62.30-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mGLU.D 48 -42.37 41.97 62.75 -42.78 41.50 63.53 -41.20 44.17 62.63 -41.02 45.19 61.97 -42.52 43.40 62.50 -43.54 44.00 63.47 2 0 1000.00-999 ?-999 ?-999 ? mSER.D 49 -40.28 43.68 63.46 -40.56 42.86 63.95 -37.97 43.89 62.55 -36.80 44.30 62.59 -38.98 44.33 63.62 -38.41 44.08 65.02 2 0 1000.00-999 ?-999 ?-999 ? mGLY.D 50 -38.42 43.04 61.62 -39.36 42.74 61.76 -36.69 41.42 60.79 -35.88 41.02 59.94 -37.59 42.60 60.49-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mMET.D 51 -36.81 40.85 61.97 -37.53 41.25 62.55 -36.74 38.43 62.19 -37.96 38.43 62.19 -35.97 39.73 62.38 -35.57 39.90 63.85 2 0 1000.00-999 ?-999 ?-999 ? mPRO.D 52 -36.02 37.31 61.99 -35.02 37.41 61.97 -37.70 35.76 62.97 -37.38 35.97 64.14 -36.71 36.04 61.83 -35.56 35.02 61.85 3 0 1000.00-999 ?-999 ?-999 ? mASP.D 53 -38.89 35.29 62.61 -38.98 35.13 61.63 -40.24 33.55 63.79 -41.20 33.18 64.47 -39.95 35.04 63.60 -41.21 35.81 63.23 2 0 1000.00-999 ?-999 ?-999 ? mGLU.D 54 -39.43 32.71 63.17 -38.79 33.15 62.54 -38.03 30.80 63.50 -37.12 31.45 62.96 -39.47 31.27 63.38 -40.16 30.59 62.19 2 0 1000.00-999 ?-999 ?-999 ? mPRO.D 55 -37.77 29.71 64.25 -38.57 29.27 64.66 -35.86 28.50 63.21 -36.64 27.99 62.38 -36.40 29.25 64.41 -36.47 28.31 65.62 3 0 1000.00-999 ?-999 ?-999 ? mGLY.D 56 -34.52 28.44 63.13 -34.05 29.11 63.71 -33.23 28.03 60.96 -32.78 27.24 60.14 -33.83 27.49 62.26-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mTYR.D 57 -33.25 29.34 60.78 -33.67 29.86 61.53 -32.23 31.38 59.83 -32.63 32.03 60.83 -32.67 29.95 59.57 -33.70 29.95 58.42 3 0 1000.00-999 ?-999 ?-999 ? mILE.D 58 -31.43 31.88 58.89 -31.14 31.23 58.19 -31.24 33.95 57.56 -31.29 33.30 56.47 -31.02 33.26 58.90 -29.53 33.42 59.29 3 0 1000.00-999 ?-999 ?-999 ? mASN.D 59 -31.38 35.26 57.65 -31.50 35.59 58.59 -29.97 36.74 56.29 -29.04 36.45 57.06 -31.36 36.14 56.49 -32.47 37.18 56.62 2 0 1000.00-999 ?-999 ?-999 ? mGLY^D 60 -29.82 37.54 55.25 -30.65 37.79 54.76 -28.46 39.17 53.99 -29.39 39.98 53.96 -28.49 37.97 54.90-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mGLY^D 61 -27.37 39.28 53.25 -26.72 38.53 53.36 -26.27 40.02 51.21 -25.58 38.99 51.25 -27.15 40.39 52.38-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mMET^D 62 -26.29 40.84 50.17 -26.95 41.58 50.24 -24.75 41.97 48.78 -25.39 43.02 48.92 -25.41 40.64 49.03 -26.18 40.18 47.80 2 0 1000.00-999 ?-999 ?-999 ? mMET^D 63 -23.48 41.93 48.40 -23.11 41.01 48.25 -21.69 42.97 47.12 -21.25 41.88 46.80 -22.70 43.14 48.22 -21.93 43.50 49.48 2 0 1000.00-999 ?-999 ?-999 ? mGLN^D 64 -21.30 44.12 46.55 -21.77 44.94 46.87 -18.98 43.63 46.14 -18.56 44.06 47.22 -20.27 44.16 45.55 -20.13 45.60 45.10 2 0 1000.00-999 ?-999 ?-999 ? mARG.D 65 -18.36 42.68 45.45 -18.78 42.48 44.57 -16.04 43.02 46.26 -15.80 43.90 45.43 -17.16 42.01 45.97 -16.66 41.00 44.97 2 0 1000.00-999 ?-999 ?-999 ? mGLY.D 66 -15.40 42.88 47.42 -15.73 42.11 47.96 -13.98 43.60 49.31 -13.04 42.92 49.61 -14.32 43.80 47.85-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mGLU.D 67 -14.72 44.22 50.23 -15.36 44.89 49.86 -14.98 42.52 51.99 -14.40 41.86 52.86 -14.58 43.93 51.67 -15.45 44.89 52.49 2 0 1000.00-999 ?-999 ?-999 ? mVAL.D 68 -16.00 42.03 51.29 -16.49 42.72 50.74 -15.91 40.09 49.99 -16.31 40.58 48.92 -16.39 40.65 51.32 -17.90 40.50 51.44 3 0 1000.00-999 ?-999 ?-999 ? mTHR.D 69 -14.99 39.12 50.05 -14.72 38.84 50.98 -15.00 37.15 48.48 -14.95 36.73 47.33 -14.46 38.54 48.81 -12.94 38.47 48.81 2 0 1000.00-999 ?-999 ?-999 ? mTHR.D 70 -15.48 36.45 49.51 -15.34 36.90 50.40 -17.29 35.16 50.39 -17.36 36.08 51.24 -16.13 35.15 49.38 -15.16 33.96 49.61 2 0 1000.00-999 ?-999 ?-999 ? mPRO.D 71 -18.20 34.18 50.33 -18.09 33.50 49.60 -18.78 34.27 52.75 -17.77 33.66 53.11 -19.28 34.20 51.32 -20.03 32.92 51.03 3 0 1000.00-999 ?-999 ?-999 ? mVAL^D 72 -19.49 35.03 53.56 -20.29 35.44 53.12 -20.36 34.99 55.83 -21.47 35.35 55.47 -19.14 35.26 54.96 -18.65 36.70 55.16 3 0 1000.00-999 ?-999 ?-999 ? mVAL^D 73 -20.15 34.28 56.93 -19.27 33.81 56.94 -20.71 35.14 59.13 -19.53 35.40 59.34 -21.11 34.21 58.01 -21.31 32.76 58.52 3 0 1000.00-999 ?-999 ?-999 ? mTHR^D 74 -21.72 35.65 59.83 -22.61 35.25 59.61 -21.92 36.19 62.21 -23.04 35.71 62.42 -21.56 36.70 60.82 -22.56 37.82 60.55 2 0 1000.00-999 ?-999 ?-999 ? mVAL^D 75 -21.00 36.38 63.15 -20.17 36.83 62.82 -21.67 37.19 65.35 -21.03 38.24 65.37 -21.19 35.99 64.54 -19.86 35.49 65.18 3 0 1000.00-999 ?-999 ?-999 ? mASP^D 76 -22.76 37.00 66.08 -23.20 36.11 65.94 -22.35 38.01 68.22 -22.07 36.95 68.76 -23.25 38.02 66.99 -24.69 37.69 67.37 2 0 1000.00-999 ?-999 ?-999 ? mVAL.D 77 -21.90 39.19 68.62 -22.15 39.96 68.02 -21.64 40.49 70.65 -22.10 41.50 70.11 -21.12 39.33 69.83 -19.63 39.51 69.54 3 0 1000.00-999 ?-999 ?-999 ? mGLU.D 78 -21.58 40.34 71.96 -21.22 39.46 72.28 -21.09 42.61 72.73 -21.52 43.74 72.94 -22.01 41.40 72.84 -22.12 40.86 74.27 2 0 1000.00-999 ?-999 ?-999 ? mSER~D 79 -19.84 42.37 72.38 -19.64 41.40 72.25 -17.82 42.98 71.14 -17.15 41.96 71.28 -18.84 43.40 72.18 -18.09 43.63 73.50 2 0 1000.00-999 ?-999 ?-999 ? mILE~D 80 -17.73 43.76 70.07 -18.39 44.51 70.05 -15.32 43.60 69.57 -14.47 42.79 69.21 -16.74 43.50 69.01 -16.94 44.41 67.76 3 0 1000.00-999 ?-999 ?-999 ? mGLU~D 81 -15.10 44.55 70.47 -15.89 45.13 70.68 -13.36 43.46 71.89 -12.25 42.97 71.72 -13.76 44.70 71.09 -13.73 45.96 71.94 2 0 1000.00-999 ?-999 ?-999 ? mSER~D 82 -14.26 42.92 72.70 -15.12 43.42 72.75 -13.73 40.47 72.53 -12.86 39.60 72.77 -13.96 41.67 73.44 -15.08 41.33 74.44 2 0 1000.00-999 ?-999 ?-999 ? mALA~D 83 -14.51 40.39 71.46 -15.23 41.08 71.39 -12.91 39.47 69.86 -12.19 38.49 69.76 -14.29 39.34 70.48 -15.37 39.41 69.41 2 0 1000.00-999 ?-999 ?-999 ? mLEU~D 84 -12.57 40.67 69.41 -13.22 41.40 69.63 -10.12 40.64 69.58 -9.13 40.10 69.12 -11.33 40.88 68.67 -11.32 42.26 68.00 3 0 1000.00-999 ?-999 ?-999 ? mGLU~D 85 -10.26 40.97 70.87 -11.11 41.45 71.10 -8.87 39.16 71.80 -7.69 38.80 71.82 -9.21 40.62 71.85 -9.65 40.94 73.27 2 0 1000.00-999 ?-999 ?-999 ? mARG~D 86 -9.90 38.31 71.83 -10.79 38.77 71.88 -9.26 36.34 70.46 -8.36 35.50 70.38 -9.73 36.86 71.79 -11.04 36.17 72.22 2 0 1000.00-999 ?-999 ?-999 ? mILE~D 87 -9.85 36.85 69.39 -10.55 37.54 69.58 -8.02 36.70 67.81 -7.30 35.83 67.30 -9.51 36.44 68.05 -10.39 37.25 67.03 3 0 1000.00-999 ?-999 ?-999 ? mGLU~D 88 -7.55 37.88 68.18 -8.22 38.47 68.63 -5.20 37.42 68.80 -4.01 37.35 68.52 -6.14 38.23 67.92 -5.90 39.71 68.13 2 0 1000.00-999 ?-999 ?-999 ? mSER.D 89 -5.72 36.79 69.84 -6.69 36.99 70.00 -4.76 34.46 70.06 -3.90 33.70 70.51 -4.91 35.88 70.66 -5.49 35.78 72.06 2 0 1000.00-999 ?-999 ?-999 ? mLEU.D 90 -5.56 34.11 69.05 -6.02 34.88 68.61 -5.34 32.27 67.20 -5.96 31.39 66.64 -5.74 32.72 68.63 -7.21 32.31 68.88 3 0 1000.00-999 ?-999 ?-999 ? mGLY.D 91 -4.35 32.85 66.54 -3.72 32.20 66.12 -4.93 34.38 65.10 -4.54 33.94 64.00 -4.14 34.22 66.38-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mGLY.D 92 -6.11 34.93 65.26 -6.45 34.90 66.20 -6.27 36.91 63.86 -5.41 37.41 64.60 -6.83 35.52 64.15-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mLYS^D 93 -6.74 37.51 62.78 -7.40 36.94 62.28 -7.58 39.72 62.22 -8.57 39.26 61.68 -6.34 38.85 62.37 -5.61 38.82 61.03 2 0 1000.00-999 ?-999 ?-999 ? mTHR^D 94 -7.53 40.97 62.67 -6.74 41.16 63.25 -8.39 42.40 60.90 -7.30 42.87 60.55 -8.56 41.94 62.33 -8.52 43.16 63.25 2 0 1000.00-999 ?-999 ?-999 ? mVAL^D 95 -9.41 42.22 60.07 -10.19 41.73 60.47 -9.97 44.11 58.67 -9.36 45.03 58.10 -9.39 42.71 58.71 -10.14 41.78 57.75 3 0 1000.00-999 ?-999 ?-999 ? mTHR^D 96 -11.13 44.30 59.28 -11.56 43.45 59.59 -12.26 45.73 60.90 -12.94 44.82 61.39 -11.71 45.63 59.49 -12.82 45.91 58.51 2 0 1000.00-999 ?-999 ?-999 ? mGLY^D 97 -11.95 46.84 61.56 -11.41 47.50 61.03 -13.86 47.46 63.04 -14.58 47.55 62.03 -12.39 47.05 62.92-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mARG^D 98 -14.29 47.68 64.28 -13.59 47.57 64.98 -16.10 49.26 63.74 -15.47 50.32 63.76 -15.67 48.06 64.58 -15.81 48.36 66.08 2 0 1000.00-999 ?-999 ?-999 ? mTHR^D 99 -17.21 49.10 63.02 -17.68 48.24 63.21 -19.19 50.19 62.21 -19.88 49.18 62.18 -17.68 50.08 62.05 -17.39 49.62 60.64 2 0 1000.00-999 ?-999 ?-999 ? mPRO^D 100 -19.73 51.41 62.38 -19.10 52.18 62.43 -21.85 51.09 61.18 -21.32 51.37 60.10 -21.19 51.50 62.47 -21.46 52.99 62.78 3 0 1000.00-999 ?-999 ?-999 ? mVAL^D 101 -22.96 50.37 61.31 -23.16 50.10 62.25 -25.18 50.63 60.40 -25.98 50.20 61.24 -23.80 49.99 60.18 -23.91 48.49 60.03 3 0 1000.00-999 ?-999 ?-999 ? mGLY.D 102 -25.42 51.71 59.67 -24.77 51.90 58.94 -26.66 52.88 61.41 -25.65 53.10 62.07 -26.56 52.54 59.94-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mASN.D 103 -27.88 52.90 61.93 -28.61 52.78 61.26 -28.47 51.76 64.04 -28.89 51.75 65.18 -28.13 53.08 63.35 -29.28 54.07 63.55 2 0 1000.00-999 ?-999 ?-999 ? mMET.D 104 -28.22 50.63 63.35 -27.70 50.76 62.51 -27.63 48.61 64.68 -27.99 47.81 65.54 -28.67 49.34 63.80 -29.03 48.52 62.55 2 0 1000.00-999 ?-999 ?-999 ? mGLY^D 105 -26.36 48.92 64.46 -26.21 49.62 63.77 -23.97 48.50 64.54 -23.76 49.49 63.84 -25.30 48.26 65.19-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mPHE^D 106 -23.06 47.54 64.73 -23.42 46.71 65.16 -21.19 46.36 63.80 -21.62 45.30 64.28 -21.67 47.68 64.35 -20.81 48.06 65.56 3 0 1000.00-999 ?-999 ?-999 ? mALA^D 107 -20.30 46.44 62.82 -20.06 47.39 62.59 -18.22 45.31 62.17 -17.59 46.35 62.29 -19.74 45.28 62.15 -20.22 45.23 60.73 2 0 1000.00-999 ?-999 ?-999 ? mALA^D 108 -17.64 44.14 62.01 -18.27 43.37 62.01 -16.00 42.70 61.08 -16.90 41.87 60.98 -16.22 43.99 61.85 -15.48 44.00 63.19 2 0 1000.00-999 ?-999 ?-999 ? mTYR^D 109 -14.79 42.55 60.57 -14.21 43.36 60.69 -13.00 40.91 60.38 -12.15 41.73 60.68 -14.36 41.33 59.89 -14.29 41.52 58.39 3 0 1000.00-999 ?-999 ?-999 ? mPHE^D 110 -12.81 39.61 60.50 -13.59 39.05 60.21 -11.25 37.78 60.26 -12.12 37.24 59.59 -11.57 39.06 61.01 -11.68 38.80 62.52 3 0 1000.00-999 ?-999 ?-999 ? mTHR^D 111 -10.02 37.32 60.37 -9.37 37.97 60.78 -9.53 35.06 61.11 -9.00 35.46 62.14 -9.68 35.96 59.91 -8.40 35.91 59.08 2 0 1000.00-999 ?-999 ?-999 ? mASP.D 112 -10.04 33.84 60.97 -10.49 33.70 60.09 -8.56 32.17 62.00 -7.70 32.55 61.22 -9.94 32.83 62.02 -11.14 31.85 61.94 2 0 1000.00-999 ?-999 ?-999 ? mSER.D 113 -8.38 31.18 62.86 -9.17 30.94 63.42 -6.68 29.82 61.62 -5.50 29.45 61.43 -7.07 30.53 62.93 -7.03 29.53 64.07 2 0 1000.00-999 ?-999 ?-999 ? mGLU.D 114 -7.63 29.59 60.74 -8.51 29.99 61.00 -7.44 29.76 58.33 -7.47 29.31 57.21 -7.47 28.84 59.53 -8.64 27.86 59.37 2 0 1000.00-999 ?-999 ?-999 ? mGLY.D 115 -7.42 31.08 58.57 -7.42 31.34 59.53 -8.72 32.41 56.92 -8.73 33.22 56.00 -7.39 32.02 57.47-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mASN.D 116 -9.85 31.88 57.41 -9.73 31.27 58.19 -11.61 33.58 57.29 -11.52 33.89 58.47 -11.15 32.20 56.83 -12.23 31.23 57.29 2 0 1000.00-999 ?-999 ?-999 ? mVAL^D 117 -12.16 34.38 56.36 -12.11 34.04 55.42 -14.19 35.41 57.32 -15.00 34.71 56.72 -12.77 35.65 56.75 -12.84 36.62 55.58 3 0 1000.00-999 ?-999 ?-999 ? mVAL^D 118 -14.45 35.98 58.49 -13.70 36.56 58.81 -16.10 37.18 59.70 -15.26 38.08 59.94 -15.68 35.80 59.23 -15.46 34.86 60.42 3 0 1000.00-999 ?-999 ?-999 ? mGLY^D 119 -17.41 37.38 59.81 -17.98 36.60 59.55 -18.32 38.65 61.72 -18.56 37.60 62.30 -17.93 38.65 60.27-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mLEU^D 120 -18.36 39.86 62.29 -17.97 40.58 61.71 -20.03 41.16 63.51 -19.98 42.05 62.67 -18.92 40.13 63.62 -17.88 40.72 64.55 3 0 1000.00-999 ?-999 ?-999 ? mTRP^D 121 -21.01 41.00 64.39 -20.92 40.17 64.94 -22.35 42.24 66.00 -22.47 41.32 66.79 -22.10 41.96 64.53 -23.38 41.40 63.94 3 0 1000.00-999 ?-999 ?-999 ? mGLU^D 122 -22.44 43.53 66.33 -22.23 44.16 65.59 -24.05 44.87 67.52 -24.04 45.86 66.79 -22.82 43.99 67.66 -21.64 44.75 68.28 2 0 1000.00-999 ?-999 ?-999 ? mTHR^D 123 -25.13 44.50 68.19 -25.02 43.67 68.74 -26.21 46.58 68.89 -25.61 46.62 69.97 -26.35 45.27 68.11 -27.56 44.44 68.60 2 0 1000.00-999 ?-999 ?-999 ? mALA.D 124 -26.75 47.66 68.33 -27.12 47.50 67.42 -27.65 48.83 70.26 -28.70 48.21 70.22 -26.79 48.95 69.02 -27.34 50.03 68.09 2 0 1000.00-999 ?-999 ?-999 ? mARG.D 125 -27.20 49.43 71.36 -26.28 49.80 71.28 -28.39 50.97 72.83 -27.59 51.87 72.58 -28.01 49.51 72.58 -27.23 48.97 73.78 2 0 1000.00-999 ?-999 ?-999 ?