HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 31-JUL-06 2DVK COMPND UPF0130 PROTEIN APE0816; COMPND 3 CHAIN: A; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: AEROPYRUM PERNIX; SOURCE 3 ORGANISM_TAXID: 56636; SOURCE 4 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 5 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 6 EXPRESSION_SYSTEM_STRAIN: 21-CODONPLUS (DE3)-RIL; SOURCE 7 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 8 EXPRESSION_SYSTEM_PLASMID: PET11A AUTHOR N.K.LOKANATH,RIKEN STRUCTURAL GENOMICS/PROTEOMICS INITIATIVE (RSGI) SSBOND 1 CYS A 102 CYS A 187 1555 1555 2.03 mASP~A 18 8.01 41.20 20.73 7.18 41.74 20.56 8.87 39.02 21.50 9.09 38.69 22.66 9.24 40.41 20.98 10.14 41.14 21.98 2 0 1000.00-999 ?-999 ?-999 ? mPRO~A 19 8.28 38.18 20.63 8.16 38.57 19.71 9.01 36.01 21.59 10.11 35.96 21.04 7.87 36.82 20.98 7.41 36.24 19.65 3 0 1000.00-999 ?-999 ?-999 ? mGLY~A 20 8.74 35.38 22.73 7.82 35.51 23.08 10.88 35.39 24.02 11.83 34.81 24.55 9.76 34.58 23.39-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mALA~A 21 10.78 36.71 23.96 9.96 37.04 23.50 13.15 37.38 23.85 14.20 37.59 24.45 11.80 37.59 24.53 11.93 37.33 26.03 2 0 1000.00-999 ?-999 ?-999 ? mGLU~A 22 13.11 36.99 22.58 12.20 36.87 22.20 15.24 37.99 21.75 16.46 37.87 21.82 14.34 36.75 21.84 14.02 36.25 20.42 2 0 1000.00-999 ?-999 ?-999 ? mLYS~A 23 14.65 39.17 21.60 13.65 39.14 21.54 16.06 40.70 22.88 17.22 41.11 22.97 15.44 40.39 21.52 14.59 41.57 21.08 2 0 1000.00-999 ?-999 ?-999 ? mVAL~A 24 15.27 40.50 23.93 14.35 40.17 23.70 16.89 39.85 25.64 17.89 40.30 26.20 15.72 40.75 25.29 14.57 40.52 26.30 3 0 1000.00-999 ?-999 ?-999 ? mLEU~A 25 16.77 38.57 25.28 15.91 38.35 24.82 19.09 37.85 24.77 20.19 37.54 25.24 17.82 37.59 25.56 17.31 36.18 25.25 3 0 1000.00-999 ?-999 ?-999 ? mALA~A 26 18.95 38.41 23.58 18.01 38.59 23.30 20.90 39.83 23.44 22.13 39.80 23.50 20.12 38.71 22.76 19.69 39.14 21.36 2 0 1000.00-999 ?-999 ?-999 ? mARG~A 27 20.18 40.81 23.96 19.19 40.72 23.84 21.51 41.47 25.90 22.65 41.84 26.17 20.81 41.94 24.64 19.77 43.01 24.98 2 0 1000.00-999 ?-999 ?-999 ? mILE~A 28 20.81 40.64 26.68 19.90 40.42 26.34 22.60 39.25 27.69 23.51 39.23 28.51 21.36 40.12 27.92 20.30 39.30 28.68 3 0 1000.00-999 ?-999 ?-999 ? mASN~A 29 22.63 38.55 26.56 21.83 38.67 25.97 24.91 38.41 25.52 25.98 37.85 25.34 23.76 37.69 26.24 23.29 36.50 25.38 2 0 1000.00-999 ?-999 ?-999 ? mARG~A 30 24.68 39.66 25.13 23.77 40.01 25.35 27.01 40.53 25.25 28.10 40.27 24.72 25.71 40.42 24.44 25.19 41.82 24.10 2 0 1000.00-999 ?-999 ?-999 ? mPRO.A 31 26.93 40.90 26.54 26.00 41.09 26.87 28.94 39.72 27.41 28.38 38.65 27.57 28.14 41.03 27.38 27.57 41.39 28.75 3 0 1000.00-999 ?-999 ?-999 ? mSER.A 32 30.26 39.82 27.27 30.60 40.76 27.17 31.08 37.84 28.57 31.30 36.63 28.57 31.11 38.63 27.26 32.56 39.01 26.94 2 0 1000.00-999 ?-999 ?-999 ? mLYS.A 33 30.79 38.51 29.67 30.59 39.48 29.54 29.42 37.32 31.42 29.27 36.87 32.56 30.77 37.84 30.97 31.37 38.77 32.02 2 0 1000.00-999 ?-999 ?-999 ? mILE^A 34 28.43 37.37 30.54 28.68 37.76 29.65 26.61 35.87 29.84 26.74 36.08 28.63 27.09 36.89 30.87 26.07 38.04 30.89 3 0 1000.00-999 ?-999 ?-999 ? mVAL^A 35 26.05 34.76 30.32 26.03 34.72 31.32 24.25 33.17 30.12 24.30 32.66 31.23 25.52 33.71 29.46 26.52 32.55 29.30 3 0 1000.00-999 ?-999 ?-999 ? mSER^A 36 23.11 33.29 29.43 23.19 33.74 28.54 21.76 31.29 29.73 22.10 30.81 28.64 21.87 32.78 30.00 20.66 33.53 29.42 2 0 1000.00-999 ?-999 ?-999 ? mTHR^A 37 21.32 30.54 30.74 21.11 31.06 31.57 19.70 28.72 30.49 19.36 27.72 29.87 21.17 29.09 30.61 21.77 28.36 31.84 2 0 1000.00-999 ?-999 ?-999 ? mSER^A 38 18.84 29.54 31.08 19.25 30.32 31.55 16.62 30.55 31.33 17.11 31.44 32.03 17.40 29.29 31.01 17.01 28.16 31.97 2 0 1000.00-999 ?-999 ?-999 ? mSER^A 39 15.40 30.63 30.83 15.11 29.84 30.28 13.10 31.48 30.93 12.72 30.51 30.27 14.57 31.79 31.07 14.94 32.91 30.10 2 0 1000.00-999 ?-999 ?-999 ? mCYH^A 40 12.28 32.30 31.56 12.75 33.01 32.09 10.35 33.62 31.39 10.68 34.46 32.22 10.83 32.19 31.50 10.28 31.56 32.78 2 0 1000.00-999 ?-999 ?-999 ? mTHR.A 41 9.57 33.90 30.35 9.36 33.12 29.76 7.91 35.63 31.02 7.33 36.71 30.90 9.07 35.26 30.12 8.63 35.42 28.66 2 0 1000.00-999 ?-999 ?-999 ? mGLY.A 42 7.56 34.75 31.95 8.11 33.91 31.98 5.32 34.13 32.40 5.18 33.86 31.20 6.45 35.03 32.84-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mARG^A 43 4.50 33.67 33.33 4.69 33.96 34.27 2.24 32.78 33.89 2.36 33.18 35.05 3.42 32.78 32.94 3.95 31.35 32.81 2 0 1000.00-999 ?-999 ?-999 ? mILE^A 44 1.11 32.33 33.37 1.16 32.08 32.41 -0.34 30.70 34.27 -0.34 30.01 33.26 -0.10 32.20 34.17 -1.32 32.87 33.49 3 0 1000.00-999 ?-999 ?-999 ? mTHR^A 45 -0.51 30.20 35.48 -0.47 30.85 36.24 -1.92 28.50 36.54 -2.34 29.35 37.32 -0.74 28.77 35.63 0.49 28.05 36.22 2 0 1000.00-999 ?-999 ?-999 ? mLEU^A 46 -2.47 27.30 36.39 -2.07 26.76 35.65 -2.89 25.59 37.82 -2.56 24.64 37.12 -3.56 26.82 37.22 -4.78 26.47 36.37 3 0 1000.00-999 ?-999 ?-999 ? mILE^A 47 -2.64 25.65 39.12 -2.97 26.49 39.57 -2.88 23.85 40.76 -3.63 24.46 41.52 -1.95 24.59 39.83 -0.77 25.19 40.64 3 0 1000.00-999 ?-999 ?-999 ? mGLU^A 48 -2.84 22.52 40.69 -2.18 22.16 40.03 -2.95 21.36 42.84 -1.73 21.25 42.87 -3.68 21.68 41.54 -4.05 20.38 40.81 2 0 1000.00-999 ?-999 ?-999 ? mGLY.A 49 -3.70 21.21 43.93 -4.68 21.34 43.79 -3.11 22.00 46.23 -3.31 23.17 45.91 -3.09 20.89 45.20-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mGLU.A 50 -2.89 21.63 47.49 -2.74 20.65 47.61 -1.75 23.59 48.47 -1.90 24.76 48.84 -2.89 22.59 48.58 -2.80 21.85 49.92 2 0 1000.00-999 ?-999 ?-999 ? mALA.A 51 -0.61 23.14 47.97 -0.61 22.17 47.72 0.79 24.35 46.35 0.68 23.52 45.46 0.54 24.02 47.82 1.76 23.32 48.41 2 0 1000.00-999 ?-999 ?-999 ? mHIS.A 52 1.09 25.64 46.10 1.10 26.26 46.88 2.89 26.22 44.49 3.35 26.45 43.38 1.38 26.04 44.72 0.62 27.33 44.43 3 0 1000.00-999 ?-999 ?-999 ? mTRP.A 53 3.66 26.13 45.59 3.18 25.89 46.44 5.91 25.09 45.36 7.09 25.02 45.65 5.09 26.38 45.51 5.52 27.14 46.77 3 0 1000.00-999 ?-999 ?-999 ? mLEU.A 54 5.27 24.02 44.88 4.30 24.20 44.68 6.21 22.05 46.00 5.35 21.38 46.57 5.92 22.73 44.67 7.22 22.92 43.88 3 0 1000.00-999 ?-999 ?-999 ? mARG.A 59 0.89 19.48 40.77 0.42 18.97 41.49 0.58 21.01 38.85 -0.47 21.46 39.30 1.57 20.24 39.72 2.36 19.25 38.86 2 0 1000.00-999 ?-999 ?-999 ? mVAL^A 60 1.13 21.29 37.67 1.98 20.81 37.48 -0.61 21.64 35.95 -0.39 20.75 35.12 0.52 22.25 36.76 1.57 22.84 35.79 3 0 1000.00-999 ?-999 ?-999 ? mALA^A 61 -1.82 22.11 36.19 -1.85 22.82 36.90 -3.06 22.31 34.12 -3.58 21.74 33.16 -3.00 21.64 35.48 -4.25 21.96 36.28 2 0 1000.00-999 ?-999 ?-999 ? mTYR^A 62 -2.54 23.53 34.04 -2.16 23.87 34.90 -1.59 25.46 32.92 -1.43 26.03 33.99 -2.55 24.29 32.80 -3.96 24.84 32.51 3 0 1000.00-999 ?-999 ?-999 ? mLYS^A 63 -0.94 25.81 31.81 -1.13 25.24 31.01 -0.06 27.62 30.47 -0.30 26.99 29.44 -0.03 26.93 31.82 1.40 26.48 32.15 2 0 1000.00-999 ?-999 ?-999 ? mTHR^A 64 0.16 28.93 30.49 0.28 29.30 31.41 1.09 30.99 29.47 1.08 31.65 30.50 0.22 29.75 29.28 -1.20 30.18 28.92 2 0 1000.00-999 ?-999 ?-999 ? mHIS.A 65 1.90 31.27 28.43 1.87 30.64 27.66 2.06 33.67 27.84 2.68 34.68 27.54 2.74 32.46 28.49 4.03 32.16 27.74 3 0 1000.00-999 ?-999 ?-999 ? mHIS.A 66 0.73 33.51 27.61 0.36 32.62 27.86 -1.25 34.94 27.97 -1.64 34.16 28.84 -0.08 34.59 27.05 -0.58 34.16 25.67 3 0 1000.00-999 ?-999 ?-999 ? mPRO.A 67 -1.88 36.11 27.81 -1.50 36.71 27.11 -4.05 35.28 28.53 -4.25 34.71 27.45 -3.05 36.43 28.63 -3.56 37.71 27.98 3 0 1000.00-999 ?-999 ?-999 ? mILE.A 68 -4.69 34.96 29.64 -4.48 35.53 30.43 -7.08 34.29 29.48 -7.48 35.39 29.87 -5.63 33.85 29.67 -5.45 33.08 31.00 3 0 1000.00-999 ?-999 ?-999 ? mSER~A 69 -7.86 33.42 28.84 -7.40 32.57 28.57 -10.15 33.00 29.60 -9.71 32.09 30.30 -9.27 33.69 28.57 -9.65 33.19 27.17 2 0 1000.00-999 ?-999 ?-999 ? mARG~A 70 -11.39 33.45 29.69 -11.62 34.20 29.07 -12.52 31.38 30.28 -12.60 30.52 31.17 -12.32 32.85 30.64 -13.65 33.59 30.60 2 0 1000.00-999 ?-999 ?-999 ? mSER~A 71 -12.58 31.09 28.99 -12.49 31.88 28.38 -11.65 28.79 28.97 -11.91 27.65 29.36 -12.77 29.72 28.52 -12.87 29.70 26.99 2 0 1000.00-999 ?-999 ?-999 ? mGLU~A 72 -10.41 29.26 28.91 -10.33 30.20 28.56 -9.42 28.10 30.81 -9.15 26.97 31.22 -9.28 28.44 29.33 -7.95 29.16 29.11 2 0 1000.00-999 ?-999 ?-999 ? mVAL~A 73 -9.85 29.08 31.60 -10.03 29.95 31.14 -11.21 27.95 33.30 -11.16 27.08 34.18 -10.02 28.85 33.03 -10.22 30.17 33.80 3 0 1000.00-999 ?-999 ?-999 ? mGLU~A 74 -12.30 28.13 32.55 -12.23 28.86 31.87 -13.16 25.83 32.44 -13.66 24.93 33.11 -13.47 27.30 32.76 -14.64 27.79 31.89 2 0 1000.00-999 ?-999 ?-999 ? mARG~A 75 -12.32 25.60 31.44 -11.96 26.42 30.99 -11.28 23.51 32.22 -11.54 22.33 32.46 -11.95 24.24 31.06 -11.00 24.28 29.86 2 0 1000.00-999 ?-999 ?-999 ? mVAL~A 76 -10.43 24.22 32.96 -10.31 25.17 32.67 -10.71 23.44 35.27 -10.65 22.44 35.99 -9.75 23.61 34.09 -8.53 24.45 34.52 3 0 1000.00-999 ?-999 ?-999 ? mLEU~A 77 -11.60 24.41 35.47 -11.55 25.18 34.82 -13.46 23.09 36.35 -13.90 22.46 37.30 -12.56 24.31 36.56 -13.41 25.58 36.65 3 0 1000.00-999 ?-999 ?-999 ? mARG~A 78 -13.74 22.76 35.09 -13.32 23.34 34.39 -13.90 20.28 35.10 -14.56 19.24 35.22 -14.60 21.61 34.81 -15.06 21.63 33.34 2 0 1000.00-999 ?-999 ?-999 ? mARG.A 79 -12.58 20.30 35.23 -12.16 21.21 35.13 -12.00 18.54 36.91 -11.52 17.45 37.22 -11.84 19.08 35.49 -10.36 19.28 35.13 2 0 1000.00-999 ?-999 ?-999 ? mGLY.A 80 -12.67 19.31 37.76 -12.96 20.19 37.39 -11.82 18.68 40.14 -11.88 17.73 40.92 -12.94 18.89 39.13-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mPHE.A 81 -10.82 19.55 40.14 -10.88 20.28 39.46 -10.25 19.80 42.48 -11.11 20.66 42.60 -9.73 19.41 41.10 -8.55 20.30 40.70 3 0 1000.00-999 ?-999 ?-999 ? mTHR.A 82 -9.73 19.15 43.52 -9.05 18.46 43.28 -9.65 20.83 45.31 -10.36 21.58 45.97 -10.16 19.45 44.88 -9.65 18.39 45.86 2 0 1000.00-999 ?-999 ?-999 ? mASN.A 83 -8.42 21.14 44.93 -7.95 20.42 44.42 -7.17 22.97 43.99 -6.43 22.25 43.32 -7.82 22.44 45.26 -6.76 22.28 46.35 2 0 1000.00-999 ?-999 ?-999 ? mLEU^A 84 -7.45 24.23 43.66 -8.04 24.71 44.30 -6.49 26.27 42.69 -7.23 27.04 43.30 -6.90 24.83 42.45 -7.95 24.77 41.34 3 0 1000.00-999 ?-999 ?-999 ? mTRP^A 85 -5.30 26.63 42.22 -4.80 25.89 41.77 -4.65 28.66 41.00 -4.31 28.00 40.01 -4.78 27.99 42.35 -3.38 27.98 42.96 3 0 1000.00-999 ?-999 ?-999 ? mLEU^A 86 -4.90 29.97 40.95 -5.24 30.35 41.81 -3.40 31.47 40.12 -3.38 32.21 41.09 -4.69 30.75 39.73 -5.79 31.78 39.51 3 0 1000.00-999 ?-999 ?-999 ? mLYS^A 87 -2.32 31.23 39.38 -2.47 30.62 38.60 -0.38 32.52 38.54 -0.32 31.97 37.45 -1.04 31.83 39.72 -0.12 30.75 40.28 2 0 1000.00-999 ?-999 ?-999 ? mVAL^A 88 0.12 33.72 38.77 -0.03 34.09 39.69 2.18 34.81 38.28 2.29 35.28 39.42 0.83 34.42 37.72 0.05 35.67 37.22 3 0 1000.00-999 ?-999 ?-999 ? mTHR^A 89 3.23 34.57 37.50 2.99 34.15 36.62 5.29 35.66 36.79 5.14 35.35 35.61 4.59 34.89 37.90 5.41 33.62 38.19 2 0 1000.00-999 ?-999 ?-999 ? mGLY.A 90 6.05 36.68 37.19 6.07 36.84 38.17 7.97 36.70 35.69 8.22 35.58 36.13 6.77 37.47 36.21-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mPRO.A 91 8.74 37.29 34.77 8.44 38.21 34.51 10.96 36.23 35.24 11.13 36.88 36.26 9.93 36.64 34.20 10.49 37.71 33.26 3 0 1000.00-999 ?-999 ?-999 ? mILE^A 92 11.66 35.13 34.96 11.39 34.67 34.12 13.85 34.17 34.96 13.63 33.42 34.01 12.72 34.67 35.85 12.24 33.54 36.81 3 0 1000.00-999 ?-999 ?-999 ? mLEU^A 93 15.06 34.62 35.25 15.10 35.22 36.05 17.30 33.58 35.31 17.48 33.90 36.48 16.23 34.25 34.47 16.85 35.49 33.83 3 0 1000.00-999 ?-999 ?-999 ? mHIS^A 94 18.05 32.67 34.65 17.78 32.47 33.71 20.34 32.26 34.37 20.29 32.06 33.17 19.17 32.04 35.27 18.86 30.54 35.38 3 0 1000.00-999 ?-999 ?-999 ? mLEU^A 95 21.38 32.79 35.00 21.27 32.92 35.99 23.82 32.57 34.84 23.85 32.23 36.03 22.55 33.12 34.22 22.69 34.64 34.11 3 0 1000.00-999 ?-999 ?-999 ? mARG^A 96 24.86 32.47 34.02 24.65 32.73 33.08 26.98 33.31 34.22 27.08 33.78 33.09 26.18 32.04 34.47 26.71 30.89 33.61 2 0 1000.00-999 ?-999 ?-999 ? mVAL^A 97 27.53 33.87 35.28 27.40 33.38 36.14 29.73 34.99 35.57 30.07 34.35 36.56 28.27 35.12 35.17 27.57 36.20 36.03 3 0 1000.00-999 ?-999 ?-999 ? mGLU.A 98 30.59 35.62 34.78 30.18 36.10 34.01 32.44 36.73 35.95 32.54 37.87 35.50 32.02 35.57 35.04 32.80 35.63 33.73 2 0 1000.00-999 ?-999 ?-999 ? mGLY~A 99 32.67 36.44 37.22 32.50 35.48 37.47 32.10 38.21 38.99 30.99 38.50 38.53 33.12 37.46 38.15-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mTRP~A 100 32.50 38.55 40.21 33.44 38.29 40.42 31.34 40.71 40.75 30.31 41.28 41.05 31.61 39.25 41.15 32.27 39.21 42.53 3 0 1000.00-999 ?-999 ?-999 ? mGLN~A 101 32.27 41.35 40.04 33.09 40.81 39.83 30.92 42.85 38.61 30.14 43.80 38.66 32.07 42.73 39.62 33.38 43.29 39.05 2 0 1000.00-999 ?-999 ?-999 ? mCSS~A 102 30.81 41.88 37.71 31.52 41.17 37.76 28.43 41.46 37.45 27.37 42.06 37.25 29.73 41.89 36.74 30.06 40.96 35.57 2 0 1000.00-999 ?-999 ?-999 ? mALA~A 103 28.53 40.43 38.29 29.44 40.04 38.37 26.76 41.06 39.89 25.54 41.22 39.96 27.36 39.95 39.03 27.75 38.77 39.91 2 0 1000.00-999 ?-999 ?-999 ? mLYS~A 104 27.63 41.83 40.54 28.59 41.57 40.40 26.40 43.95 40.58 25.28 44.31 40.94 27.20 42.93 41.39 28.42 43.61 42.02 2 0 1000.00-999 ?-999 ?-999 ? mSER~A 105 26.97 44.40 39.48 27.88 44.03 39.28 24.97 44.83 38.09 24.00 45.56 37.92 26.28 45.38 38.65 27.19 45.83 37.50 2 0 1000.00-999 ?-999 ?-999 ? mLEU~A 106 24.95 43.53 37.83 25.81 43.05 38.04 22.64 42.78 38.30 21.48 43.07 37.98 23.78 42.87 37.28 24.17 41.47 36.80 3 0 1000.00-999 ?-999 ?-999 ? mLEU~A 107 22.98 42.38 39.52 23.95 42.18 39.63 21.40 43.61 40.92 20.20 43.75 41.11 21.99 42.25 40.58 22.62 41.64 41.83 3 0 1000.00-999 ?-999 ?-999 ? mGLU~A 108 22.26 44.62 40.99 23.22 44.38 40.82 20.83 46.41 40.20 19.78 47.00 40.48 21.78 45.97 41.30 22.97 46.93 41.42 2 0 1000.00-999 ?-999 ?-999 ? mALA~A 109 21.17 46.10 38.96 22.04 45.61 38.87 18.99 45.74 37.88 17.94 46.32 37.59 20.33 46.47 37.82 21.04 46.15 36.51 2 0 1000.00-999 ?-999 ?-999 ? mALA~A 110 19.02 44.47 38.25 19.94 44.12 38.46 16.82 44.28 39.34 15.64 44.47 39.04 17.80 43.67 38.33 18.14 42.25 38.73 2 0 1000.00-999 ?-999 ?-999 ? mARG~A 111 17.33 44.60 40.52 18.31 44.41 40.62 15.90 46.51 41.19 14.79 46.83 41.62 16.51 45.16 41.58 17.33 45.27 42.87 2 0 1000.00-999 ?-999 ?-999 ? mARG~A 112 16.60 47.28 40.37 17.49 46.90 40.10 14.96 48.41 38.93 14.13 49.30 38.77 16.10 48.58 39.93 17.18 49.40 39.23 2 0 1000.00-999 ?-999 ?-999 ? mASN~A 113 14.94 47.26 38.25 15.66 46.61 38.49 12.82 46.03 37.63 12.21 45.41 36.76 13.92 47.02 37.25 14.58 46.60 35.93 2 0 1000.00-999 ?-999 ?-999 ? mGLY.A 114 12.56 45.88 38.92 13.15 46.40 39.54 11.78 43.57 39.73 10.86 42.81 40.01 11.48 45.01 39.36-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mPHE.A 115 13.04 43.18 39.73 13.71 43.88 39.45 14.02 41.84 41.49 15.20 41.57 41.62 13.39 41.83 40.11 14.42 41.31 39.11 3 0 1000.00-999 ?-999 ?-999 ? mLYS.A 116 13.19 42.21 42.49 12.26 42.41 42.17 14.27 41.08 44.42 15.15 41.14 45.27 13.57 42.34 43.89 12.30 42.60 44.71 2 0 1000.00-999 ?-999 ?-999 ? mHIS^A 117 13.79 39.94 43.90 13.07 40.04 43.21 15.47 38.17 43.43 15.30 37.35 42.54 14.32 38.65 44.33 13.18 37.63 44.28 3 0 1000.00-999 ?-999 ?-999 ? mSER^A 118 16.66 38.72 43.61 16.72 39.37 44.37 19.06 38.17 43.56 19.39 38.97 44.44 17.79 38.36 42.76 18.01 39.46 41.72 2 0 1000.00-999 ?-999 ?-999 ? mGLY^A 119 19.79 37.10 43.25 19.41 36.52 42.53 21.83 35.68 43.35 21.42 35.05 42.38 21.04 36.83 43.94-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mVAL^A 120 23.00 35.43 43.93 23.23 36.05 44.68 23.36 33.11 44.27 23.35 33.13 45.50 23.85 34.33 43.49 25.33 34.60 43.84 3 0 1000.00-999 ?-999 ?-999 ? mILE^A 121 22.96 32.06 43.56 23.04 32.16 42.57 23.47 29.76 44.40 23.34 28.92 45.29 22.44 30.87 44.22 21.20 30.33 43.48 3 0 1000.00-999 ?-999 ?-999 ? mSER^A 122 24.48 29.74 43.54 24.46 30.47 42.86 26.71 29.11 42.75 26.67 30.12 42.05 25.53 28.73 43.63 25.00 27.36 43.19 2 0 1000.00-999 ?-999 ?-999 ? mILE^A 123 27.76 28.31 42.81 27.67 27.54 43.44 29.27 27.29 41.22 29.53 26.25 41.82 28.95 28.56 42.00 30.15 28.94 42.88 3 0 1000.00-999 ?-999 ?-999 ? mALA.A 124 29.25 27.39 39.90 29.03 28.30 39.56 30.94 25.67 39.26 31.81 26.33 39.83 29.53 26.24 39.04 29.35 26.63 37.58 2 0 1000.00-999 ?-999 ?-999 ? mGLU.A 125 31.15 24.43 38.81 30.36 24.01 38.37 33.56 24.58 38.28 34.72 24.56 38.66 32.45 23.78 38.98 32.36 22.37 38.37 2 0 1000.00-999 ?-999 ?-999 ? mASP.A 126 33.15 25.28 37.20 32.19 25.18 36.95 34.18 27.54 37.08 34.63 28.49 36.45 34.10 26.12 36.48 33.67 26.18 35.01 2 0 1000.00-999 ?-999 ?-999 ? mSER.A 127 33.69 27.65 38.33 33.23 26.82 38.67 32.90 30.02 38.65 32.83 31.09 39.23 33.82 28.88 39.12 35.29 29.33 39.11 2 0 1000.00-999 ?-999 ?-999 ? mARG.A 128 32.14 29.86 37.58 32.23 28.99 37.09 30.12 31.02 38.21 29.72 30.00 38.77 31.25 30.95 37.20 30.71 30.75 35.79 2 0 1000.00-999 ?-999 ?-999 ? mLEU^A 129 29.63 32.23 38.46 30.05 32.96 37.93 27.21 32.12 38.77 26.96 32.51 37.63 28.55 32.44 39.41 28.55 33.88 39.89 3 0 1000.00-999 ?-999 ?-999 ? mVAL^A 130 26.37 31.40 39.50 26.72 31.12 40.39 24.10 32.04 39.64 23.88 32.02 40.85 25.05 31.06 39.00 24.67 29.62 39.36 3 0 1000.00-999 ?-999 ?-999 ? mILE^A 131 23.53 32.92 38.82 23.79 32.80 37.86 21.17 33.73 38.90 20.88 33.22 37.82 22.63 33.95 39.30 23.09 35.33 38.78 3 0 1000.00-999 ?-999 ?-999 ? mGLU^A 132 20.27 34.12 39.78 20.65 34.50 40.63 18.22 35.39 39.61 18.38 36.09 40.60 18.84 34.00 39.52 18.18 33.08 40.55 2 0 1000.00-999 ?-999 ?-999 ? mILE^A 133 17.51 35.76 38.55 17.49 35.09 37.81 15.33 36.72 38.48 14.84 36.12 37.53 16.83 37.05 38.48 17.17 37.79 37.16 3 0 1000.00-999 ?-999 ?-999 ? mMET^A 134 14.62 37.12 39.53 15.14 37.64 40.21 12.30 38.03 39.87 12.56 38.84 40.76 13.19 36.81 39.64 12.98 35.79 40.77 2 0 1000.00-999 ?-999 ?-999 ? mSER.A 135 11.24 38.12 39.07 11.16 37.36 38.43 9.59 39.34 40.48 9.28 38.35 41.13 10.30 39.23 39.12 9.27 39.05 38.01 2 0 1000.00-999 ?-999 ?-999 ? mSER.A 136 9.35 40.59 40.91 9.70 41.33 40.32 7.11 40.74 41.96 6.34 40.70 42.91 8.64 40.81 42.16 9.03 42.18 42.71 2 0 1000.00-999 ?-999 ?-999 ? mGLN.A 137 6.70 40.76 40.68 7.41 40.80 39.98 4.72 39.29 40.40 5.29 38.39 39.78 5.27 40.72 40.41 5.02 41.39 39.06 2 0 1000.00-999 ?-999 ?-999 ? mSER^A 138 3.62 39.11 41.11 3.28 39.93 41.58 1.65 37.89 41.89 1.30 38.90 42.51 2.98 37.81 41.18 3.87 36.82 41.93 2 0 1000.00-999 ?-999 ?-999 ? mMET^A 139 0.92 36.79 41.79 1.33 36.08 41.23 -0.62 35.16 42.53 -0.37 34.42 41.59 -0.37 36.65 42.44 -1.49 37.33 41.64 2 0 1000.00-999 ?-999 ?-999 ? mSER^A 140 -1.06 34.69 43.69 -1.18 35.39 44.40 -2.67 33.26 44.59 -2.74 33.48 45.80 -1.34 33.28 43.88 -0.25 32.62 44.72 2 0 1000.00-999 ?-999 ?-999 ? mVAL^A 141 -3.73 33.00 43.84 -3.53 32.82 42.88 -5.80 31.67 44.29 -5.86 31.07 43.23 -5.08 33.00 44.40 -5.96 34.06 43.71 3 0 1000.00-999 ?-999 ?-999 ? mPRO^A 142 -6.35 31.19 45.42 -6.21 31.74 46.24 -8.41 30.19 44.62 -9.12 31.16 44.82 -7.10 29.95 45.37 -7.34 29.49 46.83 3 0 1000.00-999 ?-999 ?-999 ? mLEU^A 143 -8.67 29.31 43.62 -7.96 28.64 43.43 -10.93 28.39 43.48 -12.13 28.60 43.57 -9.94 29.40 42.91 -9.72 29.06 41.43 3 0 1000.00-999 ?-999 ?-999 ? mVAL^A 144 -10.36 27.21 43.80 -9.39 27.12 43.57 -10.38 25.65 45.67 -9.18 25.43 45.66 -11.12 26.16 44.43 -11.27 25.02 43.43 3 0 1000.00-999 ?-999 ?-999 ? mMET^A 145 -11.11 25.46 46.76 -12.08 25.69 46.67 -11.41 23.91 48.60 -12.60 24.14 48.79 -10.49 24.96 47.99 -10.26 26.10 48.97 2 0 1000.00-999 ?-999 ?-999 ? mGLU.A 146 -10.84 22.75 48.90 -9.86 22.69 48.68 -12.85 21.34 48.69 -13.95 21.20 49.24 -11.59 21.65 49.49 -11.92 21.99 50.95 2 0 1000.00-999 ?-999 ?-999 ? mGLY.A 147 -12.68 21.26 47.38 -11.75 21.42 47.07 -14.78 22.07 46.24 -15.70 21.91 45.44 -13.79 20.95 46.48-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mALA^A 148 -14.60 23.20 46.91 -13.81 23.21 47.52 -14.95 25.46 45.94 -13.88 25.98 46.26 -15.53 24.31 46.74 -15.99 24.80 48.10 2 0 1000.00-999 ?-999 ?-999 ? mARG^A 149 -15.66 25.85 44.89 -16.49 25.32 44.71 -15.50 28.19 44.96 -16.62 28.38 45.42 -15.23 26.98 44.07 -16.05 27.08 42.78 2 0 1000.00-999 ?-999 ?-999 ? mILE.A 150 -14.47 29.00 45.21 -13.62 28.76 44.75 -14.69 31.53 45.44 -14.69 32.55 46.14 -14.63 30.15 46.09 -13.51 30.15 47.15 3 0 1000.00-999 ?-999 ?-999 ? mVAL.A 151 -14.76 31.59 44.12 -14.75 30.70 43.66 -16.07 32.93 42.53 -16.27 32.06 41.69 -14.85 32.88 43.44 -13.57 33.16 42.59 3 0 1000.00-999 ?-999 ?-999 ? mGLY~A 152 -16.90 33.96 42.72 -16.64 34.60 43.45 -17.68 34.58 40.51 -16.50 34.81 40.27 -18.09 34.12 41.90-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mASP~A 153 -18.64 34.73 39.60 -19.56 34.53 39.92 -17.75 36.56 38.11 -16.80 36.78 37.35 -18.31 35.15 38.25 -19.51 34.95 37.33 2 0 1000.00-999 ?-999 ?-999 ? mASP~A 154 -18.32 37.53 38.81 -19.09 37.26 39.39 -16.36 38.92 39.17 -15.50 39.56 38.55 -17.81 38.90 38.70 -18.62 39.88 39.55 2 0 1000.00-999 ?-999 ?-999 ? mALA~A 155 -16.09 38.21 40.26 -16.88 37.73 40.64 -13.76 37.46 39.89 -12.64 37.94 39.69 -14.75 38.15 40.83 -14.79 37.41 42.17 2 0 1000.00-999 ?-999 ?-999 ? mLEU~A 156 -14.17 36.33 39.32 -15.09 36.05 39.57 -12.84 36.47 37.25 -11.67 36.45 36.88 -13.29 35.59 38.41 -14.00 34.34 37.88 3 0 1000.00-999 ?-999 ?-999 ? mASP~A 157 -13.77 37.24 36.68 -14.69 37.16 37.07 -12.38 39.16 35.99 -11.45 39.46 35.24 -13.41 38.12 35.56 -14.66 38.82 34.99 2 0 1000.00-999 ?-999 ?-999 ? mMET~A 158 -12.53 39.72 37.19 -13.34 39.41 37.70 -10.20 40.07 37.93 -9.17 40.66 37.63 -11.57 40.71 37.67 -12.07 41.40 38.95 2 0 1000.00-999 ?-999 ?-999 ? mLEU~A 159 -10.20 38.86 38.48 -11.12 38.50 38.68 -8.25 37.79 37.45 -7.02 37.85 37.36 -8.96 38.15 38.76 -9.24 36.88 39.56 3 0 1000.00-999 ?-999 ?-999 ? mILE~A 160 -9.02 37.39 36.45 -10.00 37.35 36.66 -7.83 38.29 34.54 -6.72 38.25 33.98 -8.45 37.04 35.15 -9.52 36.47 34.20 3 0 1000.00-999 ?-999 ?-999 ? mGLU~A 161 -8.53 39.40 34.65 -9.41 39.29 35.12 -6.76 41.07 34.86 -5.81 41.59 34.26 -8.04 40.67 34.11 -9.12 41.73 34.26 2 0 1000.00-999 ?-999 ?-999 ? mLYS~A 162 -6.74 40.82 36.16 -7.57 40.40 36.51 -4.37 40.27 36.63 -3.23 40.75 36.56 -5.57 41.14 36.99 -5.91 40.96 38.47 2 0 1000.00-999 ?-999 ?-999 ? mALA~A 163 -4.61 38.98 36.42 -5.56 38.70 36.54 -2.91 38.49 34.74 -1.70 38.48 34.58 -3.53 38.07 36.07 -4.06 36.65 35.95 2 0 1000.00-999 ?-999 ?-999 ? mASN~A 164 -3.76 38.86 33.79 -4.72 38.83 34.04 -2.47 40.58 32.55 -1.45 40.73 31.89 -3.26 39.28 32.48 -4.43 39.40 31.50 2 0 1000.00-999 ?-999 ?-999 ? mTHR~A 165 -2.94 41.51 33.38 -3.79 41.26 33.85 -0.88 42.57 34.15 0.11 43.13 33.68 -2.27 42.80 33.56 -3.09 43.72 34.50 2 0 1000.00-999 ?-999 ?-999 ? mILE~A 166 -0.81 41.74 35.19 -1.69 41.36 35.49 1.42 40.76 34.83 2.61 41.10 34.76 0.47 41.45 35.82 0.27 40.55 37.06 3 0 1000.00-999 ?-999 ?-999 ? mLEU~A 167 0.90 39.82 34.06 -0.08 39.64 34.19 2.37 40.08 32.10 3.58 40.05 31.87 1.74 39.12 33.09 0.93 38.07 32.32 3 0 1000.00-999 ?-999 ?-999 ? mVAL~A 168 1.54 40.94 31.51 0.59 40.86 31.80 2.93 42.98 31.09 3.97 43.28 30.51 2.01 41.90 30.52 0.82 42.59 29.81 3 0 1000.00-999 ?-999 ?-999 ? mGLU~A 169 2.54 43.55 32.23 1.68 43.21 32.60 4.67 44.10 33.41 5.65 44.84 33.44 3.34 44.60 32.85 2.54 45.30 33.95 2 0 1000.00-999 ?-999 ?-999 ? mSER~A 170 4.70 42.85 33.87 3.84 42.34 33.78 7.00 42.10 33.38 8.19 42.04 33.70 5.92 42.29 34.44 5.64 40.95 35.13 2 0 1000.00-999 ?-999 ?-999 ? mARG~A 171 6.59 42.01 32.13 5.60 42.07 32.00 8.23 43.16 30.69 9.32 43.15 30.11 7.54 41.85 31.04 6.84 41.25 29.82 2 0 1000.00-999 ?-999 ?-999 ? mILE~A 172 7.60 44.28 31.04 6.72 44.14 31.50 9.52 45.72 31.49 10.52 46.14 30.89 8.19 45.58 30.77 7.26 46.72 31.23 3 0 1000.00-999 ?-999 ?-999 ? mGLY~A 173 9.54 45.35 32.77 8.66 45.04 33.13 11.85 44.56 32.96 13.03 44.90 33.04 10.76 45.42 33.55-999.99-999.99-999.99 1 0 1000.00-999 ?-999 ?-999 ? mLEU~A 174 11.48 43.43 32.37 10.49 43.26 32.38 13.08 43.27 30.58 14.28 43.18 30.33 12.46 42.55 31.77 11.81 41.25 31.30 3 0 1000.00-999 ?-999 ?-999 ? mASP~A 175 12.25 43.99 29.84 11.29 43.99 30.15 13.68 45.85 29.09 14.77 45.97 28.53 12.73 44.73 28.68 11.56 45.30 27.88 2 0 1000.00-999 ?-999 ?-999 ? mTHR~A 176 13.27 46.67 30.05 12.36 46.47 30.43 15.42 47.19 31.08 16.50 47.74 30.85 14.13 47.76 30.50 13.43 48.65 31.55 2 0 1000.00-999 ?-999 ?-999 ? mPHE~A 177 15.31 46.09 31.81 14.37 45.77 31.92 17.47 45.04 31.30 18.67 45.34 31.40 16.48 45.43 32.40 16.04 44.18 33.16 3 0 1000.00-999 ?-999 ?-999 ? mSER~A 178 16.98 44.38 30.26 15.99 44.21 30.30 18.54 45.15 28.54 19.67 45.04 28.07 17.84 43.95 29.16 17.03 43.21 28.09 2 0 1000.00-999 ?-999 ?-999 ? mARG~A 179 17.86 46.29 28.56 16.95 46.21 28.96 19.59 47.97 28.89 20.66 48.32 28.39 18.41 47.54 28.03 17.35 48.65 28.08 2 0 1000.00-999 ?-999 ?-999 ? mGLU~A 180 19.38 47.93 30.20 18.46 47.61 30.44 21.60 47.38 31.15 22.74 47.83 31.20 20.38 48.30 31.20 19.74 48.24 32.60 2 0 1000.00-999 ?-999 ?-999 ? mVAL~A 181 21.35 46.07 31.03 20.38 45.84 30.98 23.47 45.34 29.90 24.67 45.21 30.16 22.42 45.08 30.98 21.83 43.65 30.79 3 0 1000.00-999 ?-999 ?-999 ? mGLU~A 182 23.03 45.70 28.70 22.03 45.76 28.62 24.93 47.10 27.97 26.03 47.17 27.43 23.96 45.98 27.60 23.21 46.39 26.34 2 0 1000.00-999 ?-999 ?-999 ? mGLU~A 183 24.50 47.96 28.88 23.59 47.76 29.23 26.24 48.80 30.49 27.14 49.59 30.78 25.30 49.10 29.32 24.36 50.26 29.65 2 0 1000.00-999 ?-999 ?-999 ? mLEU~A 184 26.04 47.66 31.15 25.28 47.11 30.81 28.34 47.12 31.84 28.71 46.10 31.26 26.89 47.29 32.28 26.38 46.00 32.93 3 0 1000.00-999 ?-999 ?-999 ? mVAL.A 185 29.15 48.13 32.13 28.71 48.88 32.62 31.34 46.96 32.33 32.11 46.30 31.63 30.56 48.13 31.75 31.25 49.43 32.20 3 0 1000.00-999 ?-999 ?-999 ? mGLU.A 186 31.13 46.70 33.62 30.46 47.30 34.06 31.60 44.24 33.72 32.32 43.29 34.04 31.84 45.63 34.31 31.47 45.65 35.79 2 0 1000.00-999 ?-999 ?-999 ? mCSS.A 187 30.59 44.12 32.86 30.08 44.96 32.69 30.81 42.79 30.80 31.37 43.82 30.35 30.29 42.83 32.23 28.78 42.58 32.21 2 0 1000.00-999 ?-999 ?-999 ?