HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 08-MAY-06 2GXF COMPND HYPOTHETICAL PROTEIN YYBH; COMPND 3 CHAIN: A, B, C, D; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS; SOURCE 3 ORGANISM_TAXID: 1423; SOURCE 4 STRAIN: STR. 168; SOURCE 5 GENE: YYBH; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 7 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 8 EXPRESSION_SYSTEM_STRAIN: BL21(DE3)+MAGIC; SOURCE 9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 10 EXPRESSION_SYSTEM_PLASMID: PET21 AUTHOR F.FOROUHAR,M.ABASHIDZE,S.JAYARAMAN,K.CUNNINGHAM,Y.FANG,L.- AUTHOR 2 C.MA,R.XIAO,T.B.ACTON,G.T.MONTELIONE,J.F.HUNT,L.TONG, AUTHOR 3 NORTHEAST STRUCTURAL GENOMICS CONSORTIUM (NESG) HET MSE A 1 8 HET MSE A 25 8 HET MSE A 40 8 HET MSE A 70 8 HET MSE A 98 8 HET MSE B 1 8 HET MSE B 25 8 HET MSE B 40 8 HET MSE B 70 8 HET MSE B 98 8 HET MSE C 1 8 HET MSE C 25 8 HET MSE C 40 8 HET MSE C 70 8 HET MSE C 98 8 HET MSE D 1 8 HET MSE D 25 8 HET MSE D 40 8 HET MSE D 70 8 HET MSE D 98 8 HET MES A 201 12 HET MES B 201 12 HET MES C 201 12 HET MES D 201 12 SITE 1 AC1 7 ILE A 9 TYR A 28 TYR A 104 PHE A 106 SITE 1 AC2 7 ILE B 9 TYR B 28 PHE B 52 TYR B 104 SITE 1 AC3 7 ILE C 9 TYR C 28 PHE C 52 TYR C 104 SITE 1 AC4 6 ILE D 9 TYR D 28 PHE D 52 TYR D 104 mMETA 1 35.91 81.81 34.63 35.48 82.07 35.50 36.74 79.91 33.28 35.79 79.17 33.06 36.55 81.42 33.35 37.90 82.10 33.23 2 0 14.71-999 ?-999 ?-999 ? O1 MES A 201 mGLU.A 2 37.98 79.47 33.47 38.65 80.19 33.63 37.69 77.36 34.62 37.52 76.14 34.62 38.32 78.05 33.44 39.83 77.84 33.53 2 0 13.12-999 ?-999 ?-999 ? C2 MES A 201 mGLN.A 3 37.36 78.13 35.64 37.54 79.11 35.52 35.28 77.36 36.77 34.78 76.24 36.94 36.78 77.54 36.83 37.14 78.36 38.08 2 0 13.15-999 ?-999 ?-999 ? C2 MES A 201 mGLN.A 4 34.56 78.44 36.54 35.07 79.29 36.41 32.67 77.21 35.58 31.69 76.53 35.87 33.11 78.34 36.49 32.49 79.65 36.06 2 0 11.90-999 ?-999 ?-999 ? O1 MES A 201 mLEU.A 5 33.39 77.01 34.48 34.16 77.64 34.35 33.35 74.61 34.25 32.56 73.67 34.20 33.05 75.93 33.57 33.85 76.03 32.27 3 0 8.57-999 ?-999 ?-999 ? O1 MES A 201 mLYS.A 6 34.51 74.54 34.91 35.06 75.37 34.87 33.92 73.06 36.75 33.76 71.91 37.19 34.89 73.33 35.61 36.32 73.46 36.14 2 0 8.73-999 ?-999 ?-999 ? C2 MES A 201 mASP.A 7 33.28 74.12 37.22 33.52 74.98 36.77 30.93 73.58 37.78 30.13 72.98 38.51 32.29 74.03 38.31 32.16 75.39 39.02 2 0 9.89-999 ?-999 ?-999 ? C6 MES A 201 mILE.A 8 30.67 73.90 36.51 31.40 74.41 36.07 29.54 72.05 35.49 28.55 71.32 35.52 29.43 73.52 35.85 29.23 74.32 34.56 3 0 6.85-999 ?-999 ?-999 ? C6 MES A 201 mILE.A 9 30.74 71.61 35.15 31.47 72.29 35.17 30.55 69.40 36.01 29.71 68.52 35.95 30.92 70.22 34.80 32.38 69.90 34.41 3 0 -4.94-999 ?-999 ?-999 ? C6 MES A 201s mSER.A 10 31.20 69.72 37.13 31.84 70.48 37.02 29.51 69.13 38.82 28.91 68.15 39.28 30.97 69.03 38.40 31.86 69.63 39.49 2 0 7.95-999 ?-999 ?-999 ? C6 MES A 201 mALA.A 11 28.95 70.32 38.68 29.55 71.03 38.32 26.72 69.51 38.28 25.83 68.89 38.85 27.57 70.53 39.03 27.15 71.94 38.67 2 0 8.22-999 ?-999 ?-999 ? C6 MES A 201 mCYH.A 12 27.01 69.32 36.99 27.77 69.88 36.65 26.58 66.94 36.55 25.69 66.09 36.63 26.26 68.37 36.17 26.58 68.59 34.70 2 0 5.50-999 ?-999 ?-999 ? C6 MES A 201 mASP.A 13 27.86 66.68 36.76 28.46 67.47 36.65 27.61 64.87 38.37 27.32 63.68 38.51 28.34 65.35 37.13 29.84 65.43 37.40 2 0 5.45-999 ?-999 ?-999 ? C8 MES A 201 mLEU.A 14 27.32 65.81 39.27 27.63 66.72 39.02 25.11 65.35 40.23 24.48 64.42 40.70 26.61 65.50 40.50 26.85 66.61 41.52 3 0 9.03-999 ?-999 ?-999 ? C8 MES A 201 mALA.A 15 24.56 66.28 39.47 25.19 66.99 39.16 22.78 64.91 38.51 21.63 64.50 38.52 23.15 66.26 39.12 22.82 67.38 38.13 2 0 9.46-999 ?-999 ?-999 ? C8 MES A 201 mILE.A 16 23.79 64.24 37.96 24.67 64.70 38.02 23.63 61.85 38.37 22.89 60.87 38.27 23.59 62.94 37.33 24.67 62.66 36.26 3 0 7.63-999 ?-999 ?-999 ? C8 MES A 201 mGLN.A 17 24.50 61.99 39.37 25.06 62.82 39.33 23.33 61.00 41.26 22.83 59.95 41.68 24.59 60.98 40.42 25.78 61.23 41.32 2 0 9.68-999 ?-999 ?-999 ? O3S MES A 201 mASN.A 18 22.81 62.20 41.51 23.32 62.96 41.13 20.37 62.06 41.41 19.23 62.28 41.83 21.59 62.34 42.29 21.48 63.76 42.89 2 0 12.80-999 ?-999 ?-999 ? C8 MES A 201 mGLU.A 19 20.62 61.58 40.20 21.59 61.46 40.00 18.46 62.32 39.20 17.28 61.98 39.10 19.56 61.27 39.26 18.92 59.91 39.59 2 0 12.17-999 ?-999 ?-999 ? O3S MES A 201 mASP~A 20 18.83 63.60 39.30 19.82 63.73 39.43 18.14 65.44 37.91 18.57 66.59 37.92 17.86 64.69 39.21 17.95 65.63 40.42 2 0 13.10-999 ?-999 ?-999 ? C5 MES A 201 mPHE~A 21 17.88 64.76 36.80 17.52 63.84 36.97 17.26 66.53 35.21 17.47 67.24 34.23 18.10 65.29 35.46 17.76 64.23 34.42 3 0 10.73-999 ?-999 ?-999 ? C5 MES A 201 mASP~A 22 16.31 66.79 36.10 16.25 66.12 36.84 16.28 69.22 36.19 16.01 70.24 35.57 15.45 67.95 35.99 14.31 67.85 37.01 2 0 13.14-999 ?-999 ?-999 ? C5 MES A 201 mTHR~A 23 17.31 69.14 37.05 17.41 68.24 37.48 19.39 70.25 36.38 20.05 71.26 36.17 18.18 70.29 37.32 18.71 70.31 38.78 2 0 11.74-999 ?-999 ?-999 ? C5 MES A 201 mLEU~A 24 19.66 69.07 35.84 19.03 68.34 36.11 20.50 69.51 33.56 21.42 69.97 32.88 20.77 68.87 34.92 21.02 67.39 34.72 3 0 8.03-999 ?-999 ?-999 ? C5 MES A 201 mMETA 25 19.24 69.55 33.16 18.58 69.15 33.80 18.92 71.64 31.84 18.67 72.26 30.80 18.88 70.13 31.87 17.49 69.65 31.44 2 0 9.10-999 ?-999 ?-999 ? C5 MES A 201 mASN~A 26 19.21 72.24 32.98 19.37 71.62 33.75 20.65 74.15 32.60 20.87 75.34 32.38 19.29 73.69 33.08 19.08 74.12 34.53 2 0 10.22-999 ?-999 ?-999 ? C6 MES A 201 mTYR~A 27 21.56 73.19 32.44 21.23 72.27 32.64 23.10 73.26 30.51 24.13 73.62 29.94 22.93 73.47 32.00 23.91 72.59 32.76 3 0 6.96-999 ?-999 ?-999 ? C6 MES A 201 mTYR^A 28 22.09 72.67 29.88 21.33 72.44 30.47 21.31 73.44 27.66 20.39 74.04 28.20 22.12 72.40 28.44 21.56 71.01 28.18 3 0 -7.36-999 ?-999 ?-999 ? C6 MES A 201s mSER^A 29 21.65 73.65 26.39 22.43 73.12 26.07 19.69 73.86 25.10 19.56 72.67 25.36 20.92 74.61 25.57 21.73 75.03 24.34 2 0 10.64-999 ?-999 ?-999 ? C6 MES A 201 mGLU^A 30 18.80 74.55 24.40 19.03 75.51 24.22 17.82 72.97 22.73 17.19 71.91 22.61 17.59 73.89 23.93 16.51 74.93 23.60 2 0 13.59-999 ?-999 ?-999 ? C6 MES A 201 mASP^A 31 18.72 73.37 21.84 19.17 74.24 22.07 20.34 71.87 20.74 20.95 71.52 19.71 19.01 72.60 20.64 19.01 73.51 19.41 2 0 14.20-999 ?-999 ?-999 ? C5 MES A 201 mALA^A 32 20.78 71.64 21.97 20.17 71.99 22.68 22.10 69.53 21.67 21.10 68.96 21.24 22.04 70.95 22.25 22.27 70.89 23.75 2 0 10.72-999 ?-999 ?-999 ? C5 MES A 201 mVAL^A 33 23.30 68.98 21.63 24.04 69.55 21.98 24.40 66.94 22.10 25.35 67.54 22.60 23.49 67.63 21.12 24.17 67.60 19.73 3 0 10.47-999 ?-999 ?-999 ? C5 MES A 201 mLEU^A 34 24.10 65.68 22.39 23.31 65.32 21.89 25.25 63.56 22.74 24.39 62.84 22.25 24.88 64.90 23.34 24.06 64.71 24.63 3 0 7.74-999 ?-999 ?-999 ? O2S MES A 201 mVAL^A 35 26.52 63.22 22.76 27.13 63.90 23.18 26.91 60.99 23.37 27.69 61.09 24.33 26.97 61.96 22.21 28.42 62.06 21.67 3 0 7.73-999 ?-999 ?-999 ? O2S MES A 201 mVAL~A 36 25.96 60.08 23.31 25.38 60.13 22.49 26.92 58.06 24.28 27.59 57.74 25.27 25.80 59.09 24.37 24.45 58.32 24.26 3 0 6.78-999 ?-999 ?-999 ? O2S MES A 201 mLYS~A 37 27.08 57.53 23.06 26.44 57.90 22.39 28.25 56.60 21.21 27.36 57.06 20.52 28.08 56.52 22.72 27.60 55.12 23.13 2 0 9.18-999 ?-999 ?-999 ? O2S MES A 201 mPRO~A 38 29.39 56.12 20.69 30.04 55.75 21.35 28.43 55.75 18.41 27.80 54.73 18.69 29.64 56.16 19.24 30.83 55.22 19.07 3 0 12.33-999 ?-999 ?-999 ? O2S MES A 201 mGLY~A 39 28.11 56.57 17.41 28.72 57.36 17.31 25.68 56.36 17.30 24.83 55.47 17.16 26.98 56.32 16.53-999.99-999.99-999.99 1 0 14.65-999 ?-999 ?-999 ? O2S MES A 201 mMETA 40 25.52 57.41 18.09 26.27 58.08 18.06 24.33 58.93 19.55 25.01 59.19 20.54 24.36 57.54 18.94 24.45 56.52 20.06 2 0 12.50-999 ?-999 ?-999 ? O2S MES A 201 mILE^A 41 23.55 59.82 18.96 23.04 59.50 18.16 22.04 61.56 19.85 21.09 61.10 19.23 23.48 61.17 19.50 24.05 62.18 18.52 3 0 11.42-999 ?-999 ?-999 ? O2S MES A 201 mALA^A 42 21.90 62.40 20.87 22.76 62.67 21.30 20.54 64.35 21.01 21.47 65.09 21.33 20.61 62.86 21.31 20.44 62.60 22.80 2 0 11.43-999 ?-999 ?-999 ? O2S MES A 201 mARG^A 43 19.45 64.80 20.40 18.77 64.10 20.19 18.09 66.84 20.77 17.00 66.28 20.78 19.29 66.21 20.06 19.09 66.36 18.57 2 0 13.57-999 ?-999 ?-999 ? C5 MES A 201 mGLY~A 44 18.29 68.03 21.32 19.21 68.41 21.23 17.19 68.33 23.49 17.59 67.24 23.85 17.20 68.70 22.02-999.99-999.99-999.99 1 0 13.59-999 ?-999 ?-999 ? C5 MES A 201 mLYS~A 45 16.74 69.25 24.34 16.44 70.10 23.92 15.95 67.71 26.12 16.36 66.97 27.00 16.71 68.98 25.77 16.08 70.15 26.52 2 0 12.01-999 ?-999 ?-999 ? C5 MES A 201 mGLU~A 46 14.84 67.47 25.44 14.62 68.14 24.73 14.76 65.00 25.43 14.89 64.15 26.31 14.03 66.29 25.72 12.72 66.35 24.95 2 0 14.44-999 ?-999 ?-999 ? C5 MES A 201 mGLU~A 47 15.24 64.83 24.20 15.07 65.59 23.58 17.17 63.33 24.74 17.45 62.18 25.09 15.96 63.60 23.83 16.44 63.67 22.37 2 0 13.70-999 ?-999 ?-999 ? O2S MES A 201 mILE~A 48 17.88 64.40 25.10 17.53 65.26 24.73 18.66 63.88 27.37 19.37 63.11 28.01 19.06 64.30 25.96 19.82 65.66 26.06 3 0 10.13-999 ?-999 ?-999 ? O2S MES A 201 mLYS~A 49 17.53 64.38 27.85 17.05 65.00 27.23 16.78 62.56 29.20 17.20 61.88 30.14 17.06 64.05 29.17 15.79 64.83 29.51 2 0 11.10-999 ?-999 ?-999 ? C5 MES A 201 mLYS~A 50 16.09 62.06 28.19 15.81 62.73 27.50 17.05 59.80 28.08 17.16 58.79 28.77 15.77 60.64 28.11 14.93 60.34 26.88 2 0 12.67-999 ?-999 ?-999 ? O2S MES A 201 mALA~A 51 18.02 60.23 27.28 17.80 61.07 26.78 19.94 59.28 28.52 20.40 58.18 28.81 19.28 59.51 27.17 20.22 60.27 26.25 2 0 9.73-999 ?-999 ?-999 ? O2S MES A 201 mPHE~A 52 20.01 60.32 29.35 19.61 61.16 28.98 19.80 59.30 31.58 20.35 58.49 32.33 20.61 60.21 30.67 20.71 61.59 31.32 3 0 7.93-999 ?-999 ?-999 ? O2S MES A 201 mILE~A 53 18.48 59.44 31.53 18.15 60.14 30.90 17.85 57.15 31.96 17.94 56.29 32.83 17.62 58.60 32.34 16.14 58.96 32.13 3 0 11.50-999 ?-999 ?-999 ? O2S MES A 201 mTHR~A 54 17.95 56.87 30.66 17.87 57.67 30.06 19.51 54.95 30.64 19.57 53.94 31.34 18.17 55.50 30.16 18.14 55.42 28.61 2 0 12.14-999 ?-999 ?-999 ? O2S MES A 201 mILE~A 55 20.59 55.63 30.27 20.41 56.44 29.72 22.23 55.52 32.13 23.39 55.56 32.54 21.92 55.19 30.67 22.99 55.84 29.78 3 0 9.54-999 ?-999 ?-999 ? O2S MES A 201 mALA~A 56 21.18 55.73 32.93 20.29 55.64 32.48 22.00 54.96 35.16 22.96 55.19 35.90 21.35 56.06 34.34 20.00 56.40 34.95 2 0 9.87-999 ?-999 ?-999 ? O3S MES A 201 mASN~A 57 21.46 53.76 35.04 20.70 53.73 34.39 22.98 51.74 35.09 22.73 50.60 34.70 21.91 52.58 35.78 20.69 51.73 36.08 2 0 12.11-999 ?-999 ?-999 ? O3S MES A 201 mTYR~A 58 24.17 52.31 34.93 24.21 53.25 35.26 26.56 51.89 35.12 26.73 53.00 35.64 25.29 51.61 34.32 25.50 52.05 32.86 3 0 10.84-999 ?-999 ?-999 ? O3S MES A 201 mPHE~A 59 27.46 50.90 35.22 27.20 50.06 34.75 29.84 50.19 35.47 29.58 49.15 34.89 28.71 51.08 35.97 28.48 50.77 37.46 3 0 11.09-999 ?-999 ?-999 ? O3S MES A 201 mASN~A 60 31.09 50.59 35.69 31.16 51.47 36.17 32.81 48.99 36.44 32.93 49.52 37.54 32.25 49.80 35.27 33.32 50.72 34.71 2 0 12.41-999 ?-999 ?-999 ? O3S MES A 201 mHIS~A 61 33.13 47.70 36.22 32.98 47.41 35.28 35.01 47.32 37.78 36.04 47.17 37.10 33.66 46.81 37.29 33.79 45.33 36.81 3 0 16.12-999 ?-999 ?-999 ? O3S MES A 201 mHIS~A 62 35.00 47.92 38.96 34.09 47.96 39.39 36.75 49.59 38.71 37.59 49.34 37.84 36.19 48.48 39.59 37.23 47.36 39.80 3 0 16.51-999 ?-999 ?-999 ? O3S MES A 201 mILE~A 63 36.27 50.81 38.90 35.55 50.86 39.60 36.67 53.22 39.01 35.67 53.48 39.69 36.76 51.97 38.15 35.98 52.17 36.83 3 0 13.52-999 ?-999 ?-999 ? O3S MES A 201 mVAL~A 64 37.74 54.01 38.97 38.48 53.68 38.37 38.12 56.48 38.89 39.28 56.87 38.74 37.82 55.24 39.74 38.87 55.10 40.88 3 0 13.07-999 ?-999 ?-999 ? O3S MES A 201 mPRO~A 65 37.08 57.12 38.33 36.19 56.71 38.53 37.86 59.45 38.32 37.61 59.56 39.52 37.24 58.32 37.51 35.81 58.62 37.07 3 0 10.16-999 ?-999 ?-999 ? O3S MES A 201 mTHR^A 66 38.66 60.29 37.67 38.74 60.10 36.69 39.59 62.54 37.35 40.18 62.32 36.30 39.34 61.40 38.33 40.72 60.94 38.89 2 0 11.80-999 ?-999 ?-999 ? O1S MES A 201 mGLN^A 67 39.13 63.75 37.69 38.65 63.78 38.56 40.83 65.12 36.59 41.64 65.04 37.51 39.34 64.91 36.83 38.75 66.17 37.47 2 0 10.93-999 ?-999 ?-999 ? O1S MES A 201 mGLY^A 68 41.18 65.38 35.33 40.43 65.42 34.68 42.79 66.90 34.26 42.03 67.85 34.42 42.57 65.59 34.97-999.99-999.99-999.99 1 0 12.95-999 ?-999 ?-999 ? O1S MES A 201 mLYS^A 69 43.86 66.96 33.47 44.39 66.11 33.44 43.01 68.64 31.92 42.24 67.85 31.40 44.22 68.15 32.72 45.39 67.81 31.78 2 0 14.14-999 ?-999 ?-999 ? C2 MES A 201 mMETA 70 42.84 69.95 31.83 43.53 70.51 32.31 42.05 71.78 30.38 42.32 72.79 31.02 41.72 70.49 31.09 40.56 70.72 32.02 2 0 11.70-999 ?-999 ?-999 ? C2 MES A 201 mILE^A 71 42.01 71.77 29.06 41.76 70.89 28.65 41.04 73.67 27.85 40.05 73.01 27.53 42.31 72.97 28.30 43.15 72.64 27.07 3 0 13.10-999 ?-999 ?-999 ? C2 MES A 201 mLEU^A 72 41.06 75.00 27.82 41.92 75.41 28.11 40.24 76.69 26.25 41.12 77.53 26.38 39.90 75.77 27.38 39.35 76.63 28.50 3 0 12.60-999 ?-999 ?-999 ? C2 MES A 201 mLEU^A 73 39.54 76.55 25.13 38.86 75.83 25.14 38.58 78.31 23.86 37.58 77.89 23.29 39.80 77.43 24.00 40.02 76.62 22.74 3 0 14.45-999 ?-999 ?-999 ? O1S MES B 201 mGLU^A 74 38.66 79.52 24.40 39.55 79.72 24.81 37.62 81.37 23.16 38.67 81.91 22.85 37.54 80.45 24.35 37.51 81.25 25.67 2 0 15.21-999 ?-999 ?-999 ? O1 MES A 201 mALA^A 75 36.51 81.52 22.46 35.73 80.99 22.80 35.24 83.30 21.44 34.28 83.22 20.68 36.46 82.40 21.29 36.38 81.59 20.00 2 0 13.57-999 ?-999 ?-999 ? C2 MES B 201 mGLY~A 76 35.29 84.14 22.47 36.12 84.08 23.03 32.90 84.40 23.10 32.68 84.00 24.23 34.21 85.06 22.74-999.99-999.99-999.99 1 0 16.66-999 ?-999 ?-999 ? C2 MES B 201 mASP~A 77 32.03 84.28 22.11 32.37 84.63 21.23 30.71 82.23 22.79 29.99 81.88 23.72 30.72 83.69 22.31 29.92 83.81 21.01 2 0 16.60-999 ?-999 ?-999 ? O1 MES A 201 mTHR^A 78 31.52 81.39 22.14 32.06 81.81 21.41 32.91 79.59 23.12 33.84 80.39 23.12 31.58 79.97 22.47 31.39 79.13 21.22 2 0 13.48-999 ?-999 ?-999 ? O1 MES A 201 mVAL^A 79 32.99 78.36 23.64 32.15 77.83 23.55 34.41 76.36 24.06 33.50 75.59 24.36 34.20 77.85 24.29 34.15 78.04 25.81 3 0 11.63-999 ?-999 ?-999 ? O1 MES A 201 mLEU^A 80 35.58 75.95 23.56 36.22 76.69 23.35 36.66 73.98 24.53 37.78 74.40 24.76 35.86 74.52 23.35 36.65 74.25 22.06 3 0 10.91-999 ?-999 ?-999 ? O1 MES A 201 mVAL^A 81 36.07 73.05 25.26 35.15 72.80 24.94 37.32 71.07 26.15 36.62 70.16 25.70 36.72 72.45 26.42 35.73 72.27 27.58 3 0 8.65-999 ?-999 ?-999 ? C2 MES A 201 mLEU^A 82 38.61 70.91 26.43 39.08 71.72 26.77 39.55 69.04 27.63 40.63 69.26 28.18 39.25 69.60 26.24 40.53 69.74 25.45 3 0 9.94-999 ?-999 ?-999 ? C2 MES A 201 mSER^A 83 38.59 68.29 28.17 37.79 68.18 27.58 39.24 66.27 29.52 38.67 65.37 28.91 38.70 67.70 29.50 37.34 67.74 30.19 2 0 8.47-999 ?-999 ?-999 ? C2 MES A 201 mGLN^A 84 40.34 66.07 30.23 40.72 66.88 30.66 40.42 64.14 31.65 40.43 64.79 32.70 40.91 64.74 30.35 42.42 64.81 30.37 2 0 10.29-999 ?-999 ?-999 ? O1S MES A 201 mTHR^A 85 40.01 62.88 31.56 40.09 62.48 30.65 40.35 60.96 32.91 40.56 60.17 31.99 39.49 62.17 32.71 38.03 61.73 32.45 2 0 9.03-999 ?-999 ?-999 ? O1S MES A 201 mLEU^A 86 40.87 60.81 34.13 40.62 61.53 34.77 40.89 58.56 35.03 39.94 58.80 35.79 41.73 59.68 34.47 42.78 60.12 35.48 3 0 12.12-999 ?-999 ?-999 ? O1S MES A 201 mLEU~A 87 41.25 57.33 34.66 42.04 57.32 34.05 41.03 55.59 36.45 40.23 55.20 37.32 40.54 56.13 35.10 40.65 55.03 34.03 3 0 12.76-999 ?-999 ?-999 ? O1S MES A 201 mASP~A 88 42.35 55.54 36.63 42.89 55.88 35.86 43.62 56.12 38.72 43.12 56.52 39.78 42.93 55.04 37.88 43.91 53.90 37.58 2 0 16.16-999 ?-999 ?-999 ? O3S MES A 201 mMETA 98 45.50 55.05 31.50 46.49 55.07 31.62 43.43 56.42 31.45 43.29 56.95 32.55 44.05 55.03 31.32 43.41 54.09 32.34 2 0 15.42-999 ?-999 ?-999 ? O1S MES A 201 mGLU^A 99 43.06 56.99 30.31 43.23 56.45 29.49 41.40 58.46 29.23 41.32 57.66 28.30 42.46 58.32 30.31 43.54 59.37 30.10 2 0 12.51-999 ?-999 ?-999 ? O1S MES A 201 mARG^A 100 40.60 59.51 29.37 40.81 60.09 30.16 39.44 61.28 28.13 38.94 62.09 28.92 39.52 59.79 28.44 38.22 59.31 29.05 2 0 9.43-999 ?-999 ?-999 ? O1S MES A 201 mARG^A 101 39.94 61.65 26.95 40.30 60.90 26.40 38.69 63.43 25.77 38.53 63.06 24.61 39.95 63.05 26.54 41.20 63.30 25.70 2 0 9.90-999 ?-999 ?-999 ? O1S MES A 201 mALA^A 102 37.82 64.19 26.42 38.10 64.44 27.35 36.61 66.05 25.30 37.53 66.82 25.60 36.56 64.62 25.83 35.44 64.48 26.84 2 0 7.52-999 ?-999 ?-999 ? O1S MES A 201 mTHR^A 103 35.61 66.39 24.48 34.95 65.66 24.32 34.10 68.25 24.09 33.15 67.74 23.51 35.50 67.72 23.89 35.77 67.67 22.39 2 0 8.27-999 ?-999 ?-999 ? C2 MES A 201 mTYR^A 104 33.97 69.28 24.91 34.82 69.60 25.32 32.66 71.27 24.57 33.71 71.90 24.43 32.67 69.87 25.16 32.39 69.96 26.66 3 0 -5.92-999 ?-999 ?-999 ? C2 MES A 201s mVAL^A 105 31.48 71.77 24.20 30.71 71.15 24.34 30.27 73.84 24.39 29.13 73.42 24.38 31.37 73.11 23.65 31.01 73.08 22.16 3 0 7.89-999 ?-999 ?-999 ? O1 MES A 201 mPHE^A 106 30.63 74.93 25.04 31.60 75.16 24.99 29.46 77.05 25.09 30.38 77.57 24.45 29.64 75.71 25.78 30.09 75.97 27.23 3 0 -7.91-999 ?-999 ?-999 ? O1 MES A 201s mLYS^A 107 28.26 77.61 25.22 27.61 77.06 25.74 27.30 79.77 25.73 26.33 79.36 26.37 27.94 78.90 24.64 26.99 78.74 23.44 2 0 11.29-999 ?-999 ?-999 ? O1 MES A 201 mLYS^A 108 27.87 80.95 25.95 28.66 81.14 25.37 26.17 82.63 26.42 26.29 83.38 25.45 27.38 81.88 26.97 28.48 82.88 27.36 2 0 13.28-999 ?-999 ?-999 ? O1 MES A 201 mASN~A 109 25.01 82.40 27.03 25.07 81.76 27.79 23.75 84.52 27.06 24.72 85.01 27.65 23.77 83.06 26.60 22.57 82.31 27.18 2 0 15.37-999 ?-999 ?-999 ? O1 MES A 201 mALA~A 110 22.64 85.21 26.81 21.93 84.70 26.33 22.68 86.79 28.72 23.37 87.72 29.18 22.51 86.62 27.20 21.16 87.17 26.76 2 0 18.96-999 ?-999 ?-999 ? C6 MES A 201 mGLN~A 111 22.06 85.89 29.49 21.55 85.20 28.98 23.56 85.81 31.49 23.82 86.04 32.68 22.13 85.93 30.96 21.28 84.80 31.57 2 0 18.04-999 ?-999 ?-999 ? C6 MES A 201 mGLY~A 112 24.50 85.43 30.63 24.18 85.25 29.69 26.23 83.94 31.62 27.33 83.76 32.15 25.88 85.31 31.06-999.99-999.99-999.99 1 0 16.56-999 ?-999 ?-999 ? C6 MES A 201 mGLU~A 113 25.30 82.99 31.51 24.45 83.29 31.07 25.92 80.70 30.85 25.24 80.64 29.83 25.53 81.63 32.01 24.29 81.11 32.72 2 0 13.03-999 ?-999 ?-999 ? C6 MES A 201 mTRP^A 114 27.03 79.99 31.02 27.49 80.14 31.90 26.72 77.78 29.93 26.69 77.00 30.88 27.51 79.08 29.99 28.99 78.75 30.21 3 0 10.12-999 ?-999 ?-999 ? O1 MES A 201 mLEU^A 115 26.07 77.54 28.81 26.16 78.25 28.11 26.05 75.38 27.76 26.94 75.79 27.02 25.30 76.34 28.65 23.97 76.67 28.00 3 0 8.28-999 ?-999 ?-999 ? C6 MES A 201 mCYH^A 116 25.70 74.11 27.81 24.97 73.88 28.45 25.62 73.01 25.63 24.40 72.93 25.62 26.38 73.15 26.96 26.48 71.80 27.67 2 0 5.84-999 ?-999 ?-999 ? O1 MES A 201 mVAL^A 117 26.33 73.00 24.51 27.32 73.06 24.65 26.08 71.59 22.53 25.28 70.97 21.86 25.69 72.90 23.21 26.11 74.08 22.31 3 0 8.61-999 ?-999 ?-999 ? O1 MES A 201 mILE^A 118 27.33 71.18 22.71 27.90 71.79 23.26 28.56 69.20 23.25 29.58 69.67 23.75 27.80 69.93 22.15 28.73 70.18 20.94 3 0 8.11-999 ?-999 ?-999 ? O1 MES A 201 mASP^A 119 28.00 68.06 23.64 27.16 67.84 23.14 29.01 65.87 24.06 28.21 64.96 23.85 28.55 67.20 24.69 27.45 66.93 25.73 2 0 -5.58-999 ?-999 ?-999 ? C3 MES A 201s mASN^A 120 30.31 65.78 23.77 30.83 66.60 23.99 31.96 64.08 24.10 33.13 64.40 23.93 30.89 64.59 23.17 31.51 64.91 21.80 2 0 7.34-999 ?-999 ?-999 ? C3 MES A 201 mSER~A 121 31.56 63.29 25.08 30.58 63.11 25.11 33.60 61.83 25.46 34.44 61.30 26.20 32.52 62.76 26.04 31.77 62.02 27.14 2 0 -4.61-999 ?-999 ?-999 ? O1S MES A 201s mTYR~A 122 33.59 61.65 24.14 32.86 62.15 23.67 35.65 61.57 22.74 36.67 61.00 22.38 34.56 60.80 23.47 33.87 59.91 22.44 3 0 8.09-999 ?-999 ?-999 ? O1S MES A 201 mGLY~A 123 35.42 62.86 22.52 34.54 63.21 22.85 36.70 63.15 20.41 35.81 62.66 19.71 36.40 63.66 21.82-999.99-999.99-999.99 1 0 10.22-999 ?-999 ?-999 ? O1S MES A 201 mTHR~A 124 37.97 63.27 20.01 38.58 63.68 20.69 38.43 61.32 18.59 38.62 60.79 17.50 38.42 62.83 18.70 39.83 63.38 18.36 2 0 13.90-999 ?-999 ?-999 ? O1S MES A 201 mASP~A 125 38.24 60.63 19.71 38.13 61.19 20.53 37.03 58.67 18.85 37.02 57.54 18.36 38.21 59.16 19.71 38.07 58.61 21.13 2 0 13.46-999 ?-999 ?-999 ? O1S MES A 201 mLEU~A 126 36.05 59.55 18.68 36.19 60.43 19.12 35.29 58.80 16.49 34.65 57.95 15.87 34.88 59.22 17.89 33.97 60.45 17.85 3 0 13.57-999 ?-999 ?-999 ? O1S MES A 201 mILE~A 127 36.38 59.39 16.00 36.81 60.04 16.63 37.41 57.67 14.56 36.95 56.88 13.73 36.91 59.10 14.66 38.07 60.05 14.31 3 0 16.58-999 ?-999 ?-999 ? C6 MES B 201 mGLY~A 128 38.37 57.34 15.41 38.66 58.08 16.02 38.04 54.94 16.06 36.80 55.09 16.02 38.94 56.00 15.43-999.99-999.99-999.99 1 0 18.30-999 ?-999 ?-999 ? O1S MES A 201 mMETB 1 26.45 70.89 3.99 26.36 71.29 3.08 28.02 69.83 5.61 28.90 70.64 5.87 26.58 70.28 5.36 25.65 69.08 5.46 2 0 14.46-999 ?-999 ?-999 ? O1 MES B 201 mGLU~B 2 28.24 68.52 5.55 27.43 67.97 5.35 30.48 68.36 4.62 31.71 68.31 4.74 29.56 67.96 5.75 29.51 66.43 5.78 2 0 13.01-999 ?-999 ?-999 ? C6 MES B 201 mGLN~B 3 29.90 68.75 3.49 28.90 68.76 3.51 31.13 70.57 2.32 32.32 70.85 2.24 30.70 69.12 2.34 29.95 68.81 1.03 2 0 12.99-999 ?-999 ?-999 ? O1 MES B 201 mGLN~B 4 30.18 71.48 2.42 29.25 71.13 2.51 31.63 73.20 3.38 32.50 74.03 3.11 30.54 72.89 2.38 29.33 73.76 2.62 2 0 11.58-999 ?-999 ?-999 ? O1 MES B 201 mLEU~B 5 31.59 72.54 4.52 30.83 71.90 4.63 33.92 72.20 5.01 34.97 72.84 5.08 32.62 72.76 5.53 32.25 72.09 6.84 3 0 8.30-999 ?-999 ?-999 ? O1 MES B 201 mLYS~B 6 33.85 70.99 4.47 32.94 70.58 4.47 35.60 71.17 2.75 36.79 71.11 2.45 35.04 70.35 3.93 34.70 68.92 3.49 2 0 8.80-999 ?-999 ?-999 ? C6 MES B 201 mASP~B 7 34.72 71.94 2.11 33.79 71.89 2.48 35.70 74.10 1.47 36.51 74.72 0.76 35.08 72.79 0.97 33.84 73.11 0.11 2 0 9.87-999 ?-999 ?-999 ? O1 MES B 201 mILE~B 8 35.32 74.49 2.68 34.65 73.89 3.12 37.22 75.39 3.84 38.11 76.24 3.83 35.83 75.70 3.32 34.95 76.14 4.51 3 0 6.95-999 ?-999 ?-999 ? O1 MES B 201 mILE~B 9 37.40 74.16 4.29 36.60 73.56 4.25 39.69 73.90 3.66 40.72 74.58 3.79 38.70 73.77 4.80 38.71 72.32 5.32 3 0 -4.99-999 ?-999 ?-999 ? C5 MES B 201s mSER~B 10 39.38 73.24 2.54 38.51 72.74 2.60 40.43 74.66 0.85 41.54 75.05 0.49 40.22 73.24 1.35 39.57 72.40 0.25 2 0 7.84-999 ?-999 ?-999 ? C5 MES B 201 mALA~B 11 39.35 75.42 0.82 38.50 74.97 1.11 40.51 77.51 1.19 41.34 78.21 0.63 39.42 76.81 0.38 38.08 77.49 0.58 2 0 8.48-999 ?-999 ?-999 ? C3 MES B 201 mCYH~B 12 40.51 77.31 2.50 39.79 76.71 2.83 42.88 77.35 3.17 43.87 78.07 3.10 41.50 77.94 3.37 41.08 77.79 4.83 2 0 5.34-999 ?-999 ?-999 ? C3 MES B 201 mASP~B 13 42.92 76.03 3.08 42.02 75.59 3.15 44.88 75.83 1.67 46.11 75.92 1.63 44.16 75.29 2.89 43.84 73.80 2.71 2 0 5.54-999 ?-999 ?-999 ? C7 MES B 201 mLEU~B 14 44.10 76.21 0.67 43.12 76.09 0.83 45.04 78.19 -0.36 46.11 78.63 -0.78 44.65 76.74 -0.56 43.63 76.62 -1.69 3 0 9.12-999 ?-999 ?-999 ? C7 MES B 201 mALA~B 15 44.15 78.95 0.28 43.32 78.47 0.56 45.73 80.55 1.26 46.35 81.62 1.21 44.40 80.37 0.54 43.26 80.96 1.37 2 0 9.26-999 ?-999 ?-999 ? C3 MES B 201 mILE~B 16 46.15 79.50 1.95 45.54 78.70 1.91 48.57 79.19 1.78 49.65 79.75 1.95 47.40 79.51 2.68 47.38 78.50 3.83 3 0 7.64-999 ?-999 ?-999 ? C8 MES B 201 mGLN~B 17 48.38 78.29 0.83 47.46 77.88 0.80 49.76 79.14 -1.00 50.92 79.42 -1.32 49.46 77.95 -0.09 49.10 76.75 -0.95 2 0 10.06-999 ?-999 ?-999 ? O3S MES B 201 mASN~B 18 48.69 79.83 -1.43 47.81 79.48 -1.11 49.24 82.20 -1.46 49.28 83.33 -1.97 48.83 80.99 -2.29 47.53 81.28 -3.04 2 0 12.96-999 ?-999 ?-999 ? C8 MES B 201 mGLU~B 19 49.55 81.97 -0.19 49.48 81.00 0.07 49.10 84.29 0.60 49.63 85.41 0.68 49.95 83.03 0.73 51.43 83.39 0.52 2 0 11.96-999 ?-999 ?-999 ? C8 MES B 201 mASP~B 20 47.80 84.13 0.40 47.50 83.18 0.33 45.98 85.25 1.51 44.77 85.05 1.40 46.90 85.28 0.30 46.08 85.25 -1.01 2 0 12.77-999 ?-999 ?-999 ? C8 MES B 201 mPHE~B 21 46.60 85.45 2.67 47.58 85.60 2.57 44.82 86.52 4.01 43.99 86.53 4.93 45.91 85.45 3.95 46.92 85.68 5.08 3 0 10.61-999 ?-999 ?-999 ? C8 MES B 201 mASP~B 22 44.82 87.42 3.04 45.56 87.30 2.37 42.45 87.86 2.69 41.43 88.33 3.21 43.83 88.47 2.98 44.24 89.49 1.90 2 0 13.10-999 ?-999 ?-999 ? C3 MES B 201 mTHR~B 23 42.42 86.79 1.89 43.32 86.49 1.56 40.90 85.01 2.57 39.75 84.58 2.73 41.17 86.12 1.56 41.22 85.49 0.14 2 0 11.63-999 ?-999 ?-999 ? C3 MES B 201 mLEU~B 24 41.95 84.56 3.24 42.81 85.01 3.00 41.13 83.99 5.50 40.43 83.22 6.15 41.84 83.51 4.24 43.24 83.00 4.62 3 0 7.95-999 ?-999 ?-999 ? C3 MES B 201 mMETB 25 41.28 85.27 5.82 41.84 85.80 5.18 39.18 86.04 6.89 38.51 86.46 7.84 40.67 85.82 7.02 41.34 87.13 7.41 2 0 9.06-999 ?-999 ?-999 ? C2 MES B 201 mASN~B 26 38.67 85.75 5.71 39.33 85.42 5.03 36.49 84.71 5.96 35.27 84.73 6.11 37.25 85.93 5.44 37.01 86.09 3.94 2 0 10.10-999 ?-999 ?-999 ? C2 MES B 201 mTYR~B 27 37.25 83.65 6.26 38.23 83.79 6.10 36.69 82.31 8.28 36.08 81.42 8.86 36.68 82.41 6.76 37.44 81.22 6.16 3 0 6.88-999 ?-999 ?-999 ? C2 MES B 201 mTYR^B 28 37.39 83.24 8.92 37.83 83.91 8.32 36.57 84.29 10.97 36.19 85.25 10.29 37.51 83.25 10.37 38.94 83.59 10.75 3 0 -6.79-999 ?-999 ?-999 ? C2 MES B 201s mSER^B 29 36.18 84.10 12.23 36.53 83.27 12.65 36.20 86.18 13.38 37.42 86.09 13.27 35.30 85.06 12.90 34.61 84.43 14.11 2 0 9.98-999 ?-999 ?-999 ? C2 MES B 201 mGLU^B 30 35.62 87.23 13.93 34.62 87.19 14.01 37.18 88.05 15.69 38.33 88.47 15.86 36.44 88.34 14.38 35.58 89.60 14.54 2 0 12.87-999 ?-999 ?-999 ? C2 MES B 201 mASP^B 31 36.53 87.32 16.60 35.61 87.04 16.32 37.61 85.53 17.96 37.78 84.97 19.05 37.12 86.98 17.90 36.09 87.23 19.01 2 0 13.41-999 ?-999 ?-999 ? C2 MES B 201 mALA^B 32 37.85 84.95 16.79 37.67 85.54 16.00 39.64 83.32 17.40 40.33 84.25 17.80 38.32 83.58 16.67 38.47 83.21 15.22 2 0 9.94-999 ?-999 ?-999 ? C2 MES B 201 mVAL^B 33 39.97 82.05 17.58 39.30 81.40 17.23 41.83 80.58 17.40 41.13 79.69 16.93 41.21 81.66 18.24 40.97 81.10 19.66 3 0 10.03-999 ?-999 ?-999 ? C2 MES B 201 mLEU^B 34 43.13 80.66 17.21 43.58 81.44 17.65 45.02 79.12 17.21 45.82 79.89 17.76 43.83 79.67 16.41 44.31 80.31 15.10 3 0 7.78-999 ?-999 ?-999 ? O1S MES B 201 mVAL^B 35 45.11 77.80 17.29 44.37 77.29 16.84 47.31 76.96 16.92 47.18 76.12 16.03 46.22 77.18 17.98 45.79 75.83 18.60 3 0 7.66-999 ?-999 ?-999 ? O1S MES B 201 mVAL~B 36 48.38 77.76 17.00 48.35 78.42 17.75 50.30 76.39 16.34 50.63 75.62 15.45 49.47 77.64 16.06 50.41 78.86 16.14 3 0 6.83-999 ?-999 ?-999 ? O2S MES B 201 mLYS~B 37 50.62 76.20 17.62 50.27 76.92 18.21 51.13 75.05 19.64 50.75 76.07 20.23 51.39 75.07 18.13 52.90 75.27 17.84 2 0 9.26-999 ?-999 ?-999 ? O2S MES B 201 mPRO~B 38 51.32 73.89 20.29 51.62 73.14 19.71 51.66 74.96 22.51 52.80 75.37 22.30 51.10 73.78 21.73 51.80 72.47 22.06 3 0 12.29-999 ?-999 ?-999 ? O1S MES B 201 mGLY~B 39 50.83 75.50 23.40 49.93 75.06 23.46 51.49 77.86 23.39 52.48 78.56 23.57 51.22 76.64 24.23-999.99-999.99-999.99 1 0 13.87-999 ?-999 ?-999 ? O1 MES C 201 mMETB 40 50.58 78.14 22.47 49.79 77.52 22.46 49.44 79.46 20.79 49.15 78.76 19.82 50.74 79.25 21.55 51.86 78.90 20.57 2 0 12.66-999 ?-999 ?-999 ? O2S MES B 201 mILE^B 41 48.64 80.43 21.22 48.97 80.95 22.01 47.32 82.11 20.07 47.92 83.00 20.66 47.39 80.67 20.54 46.20 80.37 21.46 3 0 11.72-999 ?-999 ?-999 ? O2S MES B 201 mALA^B 42 46.60 82.32 18.97 46.20 81.49 18.58 44.94 84.00 18.52 44.09 83.19 18.16 46.42 83.65 18.40 46.86 83.66 16.95 2 0 11.63-999 ?-999 ?-999 ? O2S MES B 201 mARG^B 43 44.63 85.19 19.03 45.43 85.75 19.26 42.93 86.85 18.38 43.69 87.81 18.34 43.25 85.63 19.22 43.01 85.93 20.70 2 0 13.40-999 ?-999 ?-999 ? C2 MES B 201 mGLY~B 44 41.80 86.82 17.69 41.25 85.99 17.81 41.92 87.78 15.43 42.95 87.15 15.21 41.43 87.95 16.86-999.99-999.99-999.99 1 0 13.26-999 ?-999 ?-999 ? C2 MES B 201 mLYS~B 45 41.19 88.33 14.47 40.37 88.82 14.78 42.99 88.71 12.83 43.73 88.11 12.06 41.58 88.22 13.07 40.63 88.98 12.16 2 0 11.82-999 ?-999 ?-999 ? C2 MES B 201 mGLU~B 46 43.36 89.81 13.47 42.67 90.20 14.08 45.82 89.45 13.76 46.72 89.11 12.98 44.70 90.37 13.27 44.81 91.73 13.96 2 0 14.58-999 ?-999 ?-999 ? C2 MES B 201 mGLU~B 47 45.77 89.05 15.02 45.00 89.40 15.55 46.92 86.87 14.74 48.03 86.39 14.52 46.79 88.16 15.56 46.48 87.79 17.01 2 0 13.65-999 ?-999 ?-999 ? O2S MES B 201 mILE~B 48 45.78 86.33 14.32 44.97 86.84 14.59 46.36 85.30 12.16 47.03 84.41 11.63 45.74 85.10 13.53 44.29 84.60 13.33 3 0 10.04-999 ?-999 ?-999 ? C8 MES B 201 mLYS~B 49 46.14 86.47 11.58 45.58 87.11 12.11 48.20 86.76 10.38 48.88 86.13 9.59 46.69 86.77 10.27 46.20 88.12 9.77 2 0 10.83-999 ?-999 ?-999 ? C8 MES B 201 mLYS~B 50 48.72 87.44 11.40 48.05 87.90 11.98 50.74 86.12 11.82 51.78 85.79 11.26 50.16 87.50 11.61 50.49 88.37 12.83 2 0 12.26-999 ?-999 ?-999 ? O2S MES B 201 mALA~B 51 50.06 85.31 12.62 49.22 85.70 13.01 50.76 83.18 11.61 51.81 82.56 11.45 50.52 83.96 12.90 49.52 83.23 13.77 2 0 9.36-999 ?-999 ?-999 ? O2S MES B 201 mPHE~B 52 49.80 83.23 10.68 49.01 83.79 10.93 51.05 83.06 8.58 51.80 82.31 7.95 49.93 82.51 9.42 48.63 82.58 8.62 3 0 -7.33-999 ?-999 ?-999 ? O2S MES B 201s mILE~B 53 51.17 84.39 8.56 50.50 84.88 9.11 53.57 84.58 8.34 54.48 84.28 7.58 52.22 85.03 7.79 52.12 86.55 7.87 3 0 10.78-999 ?-999 ?-999 ? O2S MES B 201 mTHR~B 54 53.68 84.53 9.67 52.86 84.80 10.17 55.27 82.67 9.95 56.32 82.39 9.36 54.93 84.12 10.30 54.86 84.25 11.86 2 0 11.42-999 ?-999 ?-999 ? O2S MES B 201 mILE~B 55 54.38 81.74 10.31 53.56 82.09 10.76 54.37 79.99 8.57 54.14 78.84 8.22 54.62 80.33 10.03 53.71 79.45 10.91 3 0 8.75-999 ?-999 ?-999 ? O2S MES B 201 mALA~B 56 54.42 80.99 7.70 54.63 81.88 8.10 55.27 79.84 5.75 55.01 78.91 4.96 54.19 80.77 6.28 54.22 82.09 5.53 2 0 9.36-999 ?-999 ?-999 ? O2S MES B 201 mASN~B 57 56.46 80.11 6.26 56.44 80.86 6.92 58.13 78.36 6.97 58.79 77.39 6.61 57.69 79.41 5.93 58.79 80.44 5.75 2 0 11.82-999 ?-999 ?-999 ? O2S MES B 201 mTYR~B 58 57.81 78.56 8.25 57.29 79.40 8.43 57.64 76.21 8.93 58.33 75.19 9.06 58.20 77.58 9.28 57.69 77.99 10.68 3 0 11.19-999 ?-999 ?-999 ? O2S MES B 201 mPHE~B 59 56.39 76.19 8.49 55.96 77.09 8.47 55.83 74.85 6.55 55.49 75.78 5.82 55.71 74.97 8.08 54.21 75.02 8.48 3 0 8.76-999 ?-999 ?-999 ? O2S MES B 201 mASN~B 60 56.35 73.71 6.08 56.63 73.07 6.79 55.19 72.83 4.15 55.01 71.62 4.26 56.49 73.44 4.64 57.64 72.46 4.34 2 0 10.95-999 ?-999 ?-999 ? O2S MES B 201 mHIS~B 61 54.29 73.65 3.62 54.56 74.62 3.61 53.34 72.29 1.89 54.39 71.65 1.85 53.02 73.16 3.10 52.10 74.32 2.71 3 0 8.84-999 ?-999 ?-999 ? O3S MES B 201 mHIS~B 62 52.45 72.27 0.89 51.65 72.86 1.05 52.50 70.00 0.08 52.15 69.14 -0.74 52.66 71.46 -0.32 54.06 71.68 -0.90 3 0 11.27-999 ?-999 ?-999 ? O3S MES B 201 mILE~B 63 52.76 69.73 1.36 53.03 70.53 1.89 51.17 68.11 2.13 50.74 67.77 3.23 52.65 68.40 1.92 53.38 68.32 3.28 3 0 10.81-999 ?-999 ?-999 ? O3S MES B 201 mVAL~B 64 50.41 68.27 1.06 50.90 68.57 0.24 48.62 66.73 1.83 48.69 65.63 1.26 48.97 68.03 1.07 48.43 67.97 -0.38 3 0 9.89-999 ?-999 ?-999 ? O3S MES B 201 mPRO~B 65 48.25 66.84 3.13 48.25 67.78 3.47 46.61 65.11 3.38 45.85 65.83 2.73 47.89 65.69 3.96 47.67 66.32 5.33 3 0 9.56-999 ?-999 ?-999 ? O3S MES B 201 mTHR^B 66 46.34 63.83 3.60 46.99 63.33 4.18 43.91 63.34 3.87 43.92 62.83 4.99 45.15 63.25 2.98 45.36 61.76 2.60 2 0 12.03-999 ?-999 ?-999 ? O3S MES B 201 mGLN^B 67 42.85 63.97 3.38 42.98 64.34 2.45 41.12 62.73 4.48 41.14 61.83 3.64 41.63 64.11 4.15 40.56 64.86 3.36 2 0 11.41-999 ?-999 ?-999 ? C5 MES B 201 mGLY^B 68 40.68 62.56 5.72 40.73 63.38 6.30 38.80 61.41 6.78 38.05 62.33 6.46 40.17 61.28 6.17-999.99-999.99-999.99 1 0 13.49-999 ?-999 ?-999 ? C5 MES B 201 mLYS^B 69 38.47 60.47 7.65 39.19 59.79 7.80 36.89 61.79 8.97 37.79 62.45 9.48 37.18 60.44 8.33 37.18 59.34 9.40 2 0 14.56-999 ?-999 ?-999 ? C6 MES B 201 mMETB 70 35.63 62.22 8.93 34.98 61.60 8.49 33.91 63.50 10.13 32.92 63.35 9.42 35.29 63.50 9.51 35.34 64.60 8.47 2 0 12.10-999 ?-999 ?-999 ? C6 MES B 201 mILE^B 71 33.82 63.71 11.43 34.69 63.87 11.90 32.07 65.10 12.37 32.89 65.96 12.68 32.52 63.69 12.09 32.57 62.92 13.41 3 0 13.44-999 ?-999 ?-999 ? C6 MES B 201 mLEU^B 72 30.77 65.34 12.28 30.22 64.55 12.01 29.20 66.62 13.64 28.25 65.87 13.53 30.24 66.67 12.55 29.61 67.27 11.31 3 0 12.87-999 ?-999 ?-999 ? C6 MES B 201 mLEU^B 73 29.37 67.43 14.68 30.20 67.99 14.65 27.77 68.84 15.70 28.34 69.79 16.23 28.39 67.46 15.74 29.06 67.23 17.08 3 0 14.45-999 ?-999 ?-999 ? C3 MES A 201 mGLU^B 74 26.62 68.95 15.06 26.27 68.09 14.69 24.92 70.47 16.01 24.11 69.62 16.32 25.94 70.22 14.91 25.27 70.28 13.53 2 0 15.54-999 ?-999 ?-999 ? O1 MES B 201 mALA^B 75 24.97 71.65 16.61 25.68 72.27 16.27 23.40 73.33 17.36 23.60 74.32 18.08 24.03 71.99 17.67 24.74 72.03 19.01 2 0 13.76-999 ?-999 ?-999 ? O1 MES A 201 mGLY~B 76 22.66 73.35 16.26 22.60 72.48 15.78 22.93 75.66 15.39 23.46 75.65 14.27 21.99 74.56 15.82-999.99-999.99-999.99 1 0 16.89-999 ?-999 ?-999 ? O1 MES A 201 mASP~B 77 23.15 76.61 16.29 22.66 76.47 17.15 25.47 77.39 15.70 26.01 77.89 14.74 24.01 77.75 16.04 23.98 78.68 17.26 2 0 16.79-999 ?-999 ?-999 ? O1 MES B 201 mTHR^B 78 26.08 76.53 16.50 25.52 76.17 17.24 27.62 74.70 15.81 26.64 73.96 15.78 27.48 76.14 16.29 28.25 76.30 17.59 2 0 13.72-999 ?-999 ?-999 ? O1 MES B 201 mVAL^B 79 28.84 74.30 15.44 29.53 75.02 15.54 30.55 72.48 15.34 31.54 73.15 15.03 29.14 72.96 14.95 29.10 72.91 13.41 3 0 11.97-999 ?-999 ?-999 ? O1 MES B 201 mLEU^B 80 30.66 71.33 15.99 29.80 70.87 16.21 32.43 69.82 15.28 31.79 68.79 15.07 31.98 70.81 16.34 31.97 70.11 17.72 3 0 10.99-999 ?-999 ?-999 ? C6 MES B 201 mVAL^B 81 33.54 70.12 14.62 33.97 70.98 14.91 35.27 68.40 14.00 36.26 68.93 14.47 34.07 69.25 13.57 34.52 70.07 12.34 3 0 8.83-999 ?-999 ?-999 ? C6 MES B 201 mLEU^B 82 35.18 67.08 13.83 34.31 66.76 13.44 36.89 65.67 12.91 36.52 64.59 12.47 36.28 66.22 14.18 35.81 65.05 15.03 3 0 10.19-999 ?-999 ?-999 ? C6 MES B 201 mSER^B 83 37.82 66.42 12.33 38.03 67.26 12.83 39.75 65.23 11.27 40.69 65.67 11.94 38.48 66.03 11.09 38.80 67.29 10.27 2 0 8.85-999 ?-999 ?-999 ? C6 MES B 201 mGLN^B 84 39.79 64.05 10.66 38.95 63.80 10.18 41.78 63.45 9.44 41.23 63.46 8.33 40.98 63.23 10.72 40.63 61.76 10.84 2 0 11.33-999 ?-999 ?-999 ? C5 MES B 201 mTHR^B 85 43.08 63.64 9.60 43.38 63.60 10.55 45.01 62.78 8.45 45.69 62.52 9.45 43.98 63.88 8.49 44.67 65.22 8.67 2 0 10.24-999 ?-999 ?-999 ? O3S MES B 201 mLEU^B 86 45.13 62.12 7.30 44.51 62.43 6.58 47.40 61.58 6.60 47.43 62.47 5.74 46.09 61.04 7.14 45.52 59.99 6.19 3 0 12.94-999 ?-999 ?-999 ? O3S MES B 201 mLEU~B 87 48.50 61.03 7.13 48.31 60.33 7.81 50.36 60.69 5.49 50.95 61.31 4.60 49.85 61.43 6.73 50.83 61.21 7.89 3 0 13.17-999 ?-999 ?-999 ? O3S MES B 201 mASP~B 88 50.15 59.37 5.43 49.65 58.99 6.22 49.47 58.02 3.45 49.28 58.46 2.32 50.61 58.57 4.30 51.48 57.41 4.78 2 0 16.54-999 ?-999 ?-999 ? O3S MES B 201 mMETB 98 49.62 56.72 10.85 49.42 55.75 10.81 48.70 59.01 10.58 48.30 59.13 9.42 49.92 58.15 10.90 51.05 58.49 9.94 2 0 16.42-999 ?-999 ?-999 ? O3S MES B 201 mGLU^B 99 48.13 59.63 11.61 48.57 59.46 12.49 46.96 61.65 12.40 47.70 61.69 13.38 46.95 60.47 11.44 45.69 59.65 11.67 2 0 13.80-999 ?-999 ?-999 ? O3S MES B 201 mARG^B 100 46.11 62.63 12.10 45.56 62.46 11.28 44.53 64.22 13.09 43.90 64.78 12.18 45.99 63.83 12.91 46.80 64.97 12.26 2 0 10.66-999 ?-999 ?-999 ? O1S MES B 201 mARG^B 101 43.98 63.93 14.26 44.61 63.48 14.91 42.43 65.62 15.19 42.79 65.85 16.34 42.59 64.24 14.56 42.04 63.16 15.48 2 0 10.97-999 ?-999 ?-999 ? O1S MES B 201 mALA^B 102 41.88 66.55 14.41 41.61 66.22 13.51 40.25 68.20 15.26 39.35 67.43 14.96 41.69 67.91 14.87 42.13 68.89 13.78 2 0 8.23-999 ?-999 ?-999 ? O1S MES B 201 mTHR^B 103 40.05 69.32 15.95 40.89 69.84 16.13 38.54 71.21 16.04 39.21 72.08 16.58 38.74 69.75 16.40 38.62 69.65 17.90 2 0 8.30-999 ?-999 ?-999 ? C6 MES B 201 mTYR^B 104 37.61 71.47 15.12 37.13 70.67 14.76 35.92 73.15 15.14 35.08 72.27 15.29 37.32 72.83 14.70 37.41 72.95 13.17 3 0 -5.83-999 ?-999 ?-999 ? C6 MES B 201s mVAL^B 105 35.66 74.43 15.35 36.43 75.06 15.21 33.92 75.98 14.85 34.62 76.99 14.76 34.33 74.85 15.76 34.32 75.33 17.22 3 0 8.18-999 ?-999 ?-999 ? C6 MES B 201 mPHE^B 106 32.80 75.80 14.14 32.37 74.90 14.27 30.95 77.35 13.81 30.21 76.63 14.49 32.28 76.83 13.27 32.07 76.31 11.85 3 0 -8.10-999 ?-999 ?-999 ? O1 MES B 201s mLYS^B 107 30.67 78.62 13.53 31.38 79.09 13.01 28.82 79.92 12.71 29.48 80.69 12.02 29.43 79.24 13.95 29.70 80.25 15.08 2 0 11.39-999 ?-999 ?-999 ? O1 MES B 201 mLYS^B 108 27.56 79.58 12.42 27.17 78.90 13.04 26.30 81.53 11.65 25.46 81.67 12.55 26.83 80.14 11.29 25.66 79.23 10.92 2 0 13.32-999 ?-999 ?-999 ? O1 MES B 201 mASN~B 109 26.79 82.56 10.97 27.46 82.30 10.27 24.99 84.19 10.63 24.36 83.27 10.08 26.37 83.93 11.23 27.38 84.91 10.63 2 0 15.34-999 ?-999 ?-999 ? O1 MES B 201 mALA~B 110 24.50 85.42 10.74 25.11 86.07 11.20 23.09 85.49 8.71 22.09 84.96 8.24 23.18 85.77 10.21 22.86 87.24 10.49 2 0 18.93-999 ?-999 ?-999 ? O1 MES B 201 mGLN~B 111 24.15 85.84 7.98 24.89 86.25 8.51 24.09 84.17 6.12 23.90 83.84 4.95 24.22 85.64 6.52 25.54 86.20 5.96 2 0 18.18-999 ?-999 ?-999 ? O1 MES B 201 mGLY~B 112 24.21 83.28 7.10 24.38 83.65 8.01 25.39 81.20 6.41 25.40 80.03 6.01 24.09 81.87 6.80-999.99-999.99-999.99 1 0 16.54-999 ?-999 ?-999 ? O1 MES B 201 mGLU~B 113 26.49 81.93 6.50 26.34 82.87 6.81 28.54 80.93 7.43 28.69 81.70 8.39 27.80 81.38 6.17 28.64 82.41 5.42 2 0 13.13-999 ?-999 ?-999 ? O1 MES B 201 mTRP^B 114 29.02 79.68 7.43 28.84 79.17 6.59 31.15 79.67 8.68 31.97 79.43 7.80 29.73 79.14 8.58 29.78 77.62 8.53 3 0 10.13-999 ?-999 ?-999 ? O1 MES B 201 mLEU^B 115 31.44 80.37 9.77 30.68 80.49 10.41 33.48 80.06 11.02 32.85 79.34 11.80 32.78 80.90 9.98 32.69 82.34 10.47 3 0 8.26-999 ?-999 ?-999 ? O1 MES B 201 mCYH^B 116 34.80 80.15 11.05 35.21 80.76 10.37 35.73 80.24 13.30 36.05 81.42 13.20 35.56 79.39 12.04 36.91 79.00 11.45 2 0 5.79-999 ?-999 ?-999 ? C2 MES B 201 mVAL^B 117 35.51 79.66 14.47 35.26 78.70 14.41 36.80 79.85 16.58 37.52 80.59 17.26 35.64 80.41 15.73 34.33 80.34 16.57 3 0 8.48-999 ?-999 ?-999 ? C2 MES B 201 mILE^B 118 36.98 78.53 16.54 36.33 78.04 15.96 38.71 76.88 16.32 38.09 75.90 15.89 38.05 77.87 17.27 37.50 77.14 18.52 3 0 8.21-999 ?-999 ?-999 ? C2 MES B 201 mASP^B 119 39.96 77.17 15.97 40.30 78.00 16.41 41.88 75.70 15.83 42.93 76.31 16.07 40.75 76.37 15.05 41.33 77.28 13.96 2 0 -5.56-999 ?-999 ?-999 ? C6 MES B 201s mASN^B 120 41.67 74.44 16.22 40.78 74.07 15.95 43.01 72.44 16.20 42.44 71.38 16.44 42.67 73.69 16.97 42.14 73.32 18.37 2 0 6.53-999 ?-999 ?-999 ? O1S MES B 201 mSER~B 121 43.95 72.57 15.28 44.33 73.49 15.20 44.97 70.28 15.20 45.34 69.28 14.58 44.35 71.44 14.45 45.31 71.91 13.34 2 0 -4.57-999 ?-999 ?-999 ? O1S MES B 201s mTYR~B 122 45.06 70.40 16.52 44.68 71.25 16.88 44.64 68.50 18.08 44.94 67.38 18.51 45.67 69.35 17.36 46.60 69.96 18.40 3 0 8.08-999 ?-999 ?-999 ? O1S MES B 201 mGLY~B 123 43.42 69.01 18.21 43.29 69.93 17.82 42.71 68.04 20.35 43.31 68.90 21.00 42.39 68.26 18.89-999.99-999.99-999.99 1 0 10.33-999 ?-999 ?-999 ? O1S MES B 201 mTHR~B 124 42.31 66.88 20.85 41.84 66.29 20.19 44.01 66.19 22.51 44.41 66.02 23.65 42.54 66.50 22.25 41.69 65.26 22.66 2 0 13.95-999 ?-999 ?-999 ? O1S MES B 201 mASP~B 125 44.81 66.12 21.45 44.35 66.26 20.57 46.88 67.00 22.37 47.95 66.86 22.95 46.24 65.85 21.59 46.92 65.72 20.21 2 0 13.60-999 ?-999 ?-999 ? O1S MES B 201 mLEU~B 126 46.20 68.15 22.38 45.34 68.13 21.87 46.92 68.99 24.54 47.80 69.54 25.18 46.70 69.32 23.08 45.70 70.46 22.93 3 0 13.17-999 ?-999 ?-999 ? O1S MES B 201 mILE~B 127 46.10 68.09 25.07 45.43 67.74 24.42 47.49 66.89 26.72 48.32 67.29 27.55 46.20 67.66 26.46 45.01 66.75 26.82 3 0 16.37-999 ?-999 ?-999 ? C2 MES A 201 mGLY~B 128 47.65 65.78 26.00 46.89 65.58 25.37 50.06 65.54 25.52 50.17 66.79 25.49 48.82 64.94 26.13-999.99-999.99-999.99 1 0 18.18-999 ?-999 ?-999 ? O1S MES B 201 mMETC 1 58.33 70.47 24.95 57.98 70.63 24.02 60.01 71.14 26.62 59.83 72.33 26.84 58.84 70.23 26.33 59.27 68.78 26.45 2 0 14.44-999 ?-999 ?-999 ? C6 MES C 201 mGLU~C 2 61.21 70.57 26.62 61.20 69.59 26.42 62.67 72.32 25.77 63.40 73.29 25.94 62.43 71.33 26.88 63.64 70.40 26.97 2 0 12.73-999 ?-999 ?-999 ? C6 MES C 201 mGLN~C 3 62.08 72.06 24.60 61.51 71.24 24.59 61.36 74.14 23.41 61.81 75.28 23.36 62.29 72.95 23.46 62.18 72.16 22.15 2 0 12.79-999 ?-999 ?-999 ? C6 MES C 201 mGLN~C 4 60.06 73.90 23.43 59.79 72.93 23.49 59.46 76.05 24.38 59.30 77.24 24.12 59.13 75.00 23.36 57.70 74.51 23.53 2 0 11.47-999 ?-999 ?-999 ? O1 MES C 201 mLEU~C 5 59.92 75.62 25.55 59.99 74.63 25.65 61.53 77.32 26.12 61.62 78.54 26.23 60.29 76.58 26.58 60.57 75.89 27.90 3 0 8.28-999 ?-999 ?-999 ? O1 MES C 201 mLYS~C 6 62.49 76.57 25.59 62.29 75.59 25.56 63.43 78.09 23.93 64.19 79.01 23.67 63.72 77.17 25.11 64.71 76.07 24.69 2 0 8.52-999 ?-999 ?-999 ? C6 MES C 201 mASP~C 7 62.32 77.84 23.25 61.81 77.05 23.59 61.17 79.90 22.60 61.16 80.94 21.92 61.89 78.64 22.11 60.95 77.83 21.21 2 0 9.61-999 ?-999 ?-999 ? O1 MES C 201 mILE~C 8 60.56 79.80 23.78 60.64 78.89 24.20 60.88 81.87 24.97 60.69 83.09 24.99 59.86 80.92 24.40 58.94 80.45 25.54 3 0 6.64-999 ?-999 ?-999 ? O1 MES C 201 mILE~C 9 61.98 81.31 25.45 62.03 80.31 25.39 63.56 83.04 24.91 63.62 84.26 25.06 63.02 82.15 26.01 64.19 81.32 26.58 3 0 -4.74-999 ?-999 ?-999 ? O1 MES C 201s mSER~C 10 63.95 82.40 23.80 63.83 81.41 23.84 63.49 84.07 22.09 63.82 85.20 21.73 64.50 83.10 22.65 64.87 82.09 21.57 2 0 7.80-999 ?-999 ?-999 ? C5 MES C 201 mALA~C 11 62.24 83.64 22.02 62.09 82.70 22.33 61.19 85.79 22.34 61.11 86.89 21.79 61.19 84.50 21.52 59.84 83.78 21.62 2 0 8.56-999 ?-999 ?-999 ? O1 MES C 201 mCYH~C 12 61.30 85.67 23.66 61.37 84.72 23.98 62.59 87.64 24.42 62.58 88.87 24.35 61.31 86.84 24.55 61.14 86.41 26.01 2 0 5.55-999 ?-999 ?-999 ? C3 MES C 201 mASP~C 13 63.70 86.92 24.40 63.54 85.93 24.49 65.04 88.41 23.02 65.66 89.47 23.02 65.03 87.50 24.25 66.04 86.37 24.09 2 0 6.16-999 ?-999 ?-999 ? C7 MES C 201 mLEU~C 14 64.35 87.98 21.97 63.89 87.11 22.10 63.28 89.89 20.88 63.55 91.01 20.47 64.27 88.75 20.74 63.85 87.83 19.58 3 0 9.72-999 ?-999 ?-999 ? C3 MES C 201 mALA~C 15 62.12 89.61 21.47 62.03 88.66 21.76 61.70 91.80 22.42 61.21 92.93 22.33 61.10 90.63 21.67 59.93 90.05 22.44 2 0 9.45-999 ?-999 ?-999 ? C3 MES C 201 mILE~C 16 62.78 91.53 23.16 63.06 90.57 23.13 64.43 93.34 23.08 64.58 94.54 23.25 63.46 92.55 23.95 64.23 91.95 25.14 3 0 7.90-999 ?-999 ?-999 ? O3S MES C 201 mGLN~C 17 65.11 92.66 22.16 64.92 91.68 22.12 65.28 94.28 20.36 65.71 95.40 20.10 66.04 93.35 21.28 66.84 92.37 20.45 2 0 10.46-999 ?-999 ?-999 ? O3S MES C 201 mASN~C 18 64.14 93.81 19.85 63.92 92.88 20.13 62.51 95.65 19.77 61.64 96.33 19.23 63.31 94.62 18.97 62.33 93.74 18.17 2 0 13.22-999 ?-999 ?-999 ? O3S MES C 201 mGLU~C 19 62.82 95.77 21.06 63.56 95.16 21.36 60.63 96.75 21.76 60.02 97.82 21.81 62.15 96.71 21.95 62.71 98.12 21.76 2 0 12.00-999 ?-999 ?-999 ? O3S MES C 201 mASP~C 20 60.01 95.59 21.52 60.61 94.79 21.47 57.99 94.77 22.54 57.47 93.66 22.41 58.55 95.53 21.35 58.17 94.84 20.03 2 0 13.21-999 ?-999 ?-999 ? C3 MES C 201 mPHE~C 21 58.12 95.39 23.71 58.55 96.28 23.64 56.18 94.52 24.96 55.65 93.85 25.84 57.67 94.81 24.97 58.03 95.76 26.11 3 0 10.96-999 ?-999 ?-999 ? C3 MES C 201 mASP~C 22 55.49 95.05 23.97 56.04 95.60 23.33 53.78 93.36 23.54 52.78 92.82 23.98 54.07 94.84 23.85 53.51 95.77 22.76 2 0 13.43-999 ?-999 ?-999 ? C3 MES C 201 mTHR~C 23 54.68 92.72 22.80 55.46 93.28 22.51 55.22 90.44 23.48 54.93 89.25 23.61 54.52 91.31 22.45 55.12 90.98 21.06 2 0 11.86-999 ?-999 ?-999 ? C2 MES C 201 mLEU~C 24 56.16 91.04 24.21 56.29 92.00 23.98 56.08 90.03 26.45 56.30 89.01 27.10 56.93 90.34 25.24 58.12 91.20 25.67 3 0 8.24-999 ?-999 ?-999 ? C2 MES C 201 mMETC 25 55.12 90.89 26.75 55.05 91.67 26.12 53.22 89.61 27.72 52.45 89.32 28.63 54.25 90.70 27.91 53.55 92.00 28.27 2 0 9.02-999 ?-999 ?-999 ? C2 MES C 201 mASN~C 26 53.19 89.03 26.53 53.86 89.38 25.88 52.78 86.65 26.76 52.06 85.65 26.85 52.24 87.97 26.23 52.01 87.88 24.72 2 0 10.16-999 ?-999 ?-999 ? C2 MES C 201 mTYR~C 27 54.07 86.66 27.11 54.51 87.54 26.98 54.78 85.43 29.16 55.17 84.43 29.75 54.76 85.47 27.63 56.19 85.43 27.10 3 0 6.97-999 ?-999 ?-999 ? C2 MES C 201 mTYR^C 28 54.37 86.53 29.77 54.07 87.26 29.16 52.93 86.46 31.77 51.96 86.69 31.06 54.34 86.65 31.23 54.88 88.03 31.63 3 0 -7.01-999 ?-999 ?-999 ? C2 MES C 201s mSER^C 29 52.83 86.03 33.03 53.70 85.84 33.48 51.11 87.23 34.13 51.90 88.16 34.08 51.52 85.85 33.65 51.61 84.92 34.85 2 0 10.23-999 ?-999 ?-999 ? C2 MES C 201 mGLU^C 30 49.88 87.36 34.63 49.33 86.53 34.67 50.06 89.08 36.38 50.41 90.25 36.57 49.44 88.68 35.06 47.91 88.72 35.15 2 0 13.08-999 ?-999 ?-999 ? C2 MES C 201 mASP^C 31 50.21 88.14 37.30 49.89 87.23 37.00 52.24 87.99 38.75 52.75 87.79 39.85 50.78 88.42 38.62 49.93 87.72 39.70 2 0 13.64-999 ?-999 ?-999 ? C2 MES C 201 mALA^C 32 52.91 87.86 37.60 52.35 88.05 36.79 55.25 88.39 38.31 54.89 89.52 38.67 54.31 87.46 37.53 54.75 87.39 36.08 2 0 10.18-999 ?-999 ?-999 ? C2 MES C 201 mVAL^C 33 56.46 87.91 38.57 56.61 86.97 38.25 58.74 88.56 38.49 59.09 87.47 38.03 57.46 88.69 39.28 57.73 88.16 40.69 3 0 10.24-999 ?-999 ?-999 ? C2 MES C 201 mLEU^C 34 59.45 89.68 38.32 59.06 90.49 38.76 61.78 90.32 38.38 61.60 91.41 38.90 60.69 89.68 37.56 60.49 90.44 36.24 3 0 7.50-999 ?-999 ?-999 ? O2S MES C 201 mVAL^C 35 62.90 89.63 38.52 62.90 88.74 38.08 64.87 90.96 38.27 65.52 90.36 37.39 64.01 90.18 39.28 64.85 89.06 39.93 3 0 6.83-999 ?-999 ?-999 ? O2S MES C 201 mVAL~C 36 64.85 92.29 38.38 64.29 92.64 39.13 67.09 93.06 37.81 67.94 92.85 36.94 65.61 93.13 37.47 65.16 94.60 37.56 3 0 6.17-999 ?-999 ?-999 ? O2S MES C 201 mLYS~C 37 67.37 93.22 39.10 66.55 93.37 39.66 68.53 92.95 41.15 67.47 93.23 41.70 68.71 93.19 39.65 69.44 94.52 39.40 2 0 8.08-999 ?-999 ?-999 ? O2S MES C 201 mPRO~C 38 69.56 92.44 41.83 70.37 92.26 41.29 68.76 93.32 44.04 69.07 94.50 43.86 69.46 92.19 43.27 70.91 91.99 43.67 3 0 11.03-999 ?-999 ?-999 ? O2S MES C 201 mGLY~C 39 67.80 92.94 44.88 67.64 91.95 44.91 66.27 94.83 44.82 66.28 96.04 45.01 67.07 93.90 45.69-999.99-999.99-999.99 1 0 13.54-999 ?-999 ?-999 ? O2S MES C 201 mMETC 40 65.55 94.25 43.87 65.59 93.25 43.87 63.89 94.11 42.11 64.34 93.49 41.15 64.78 95.04 42.92 65.75 95.76 41.99 2 0 11.73-999 ?-999 ?-999 ? O2S MES C 201 mILE^C 41 62.63 94.01 42.49 62.36 94.56 43.28 60.54 93.91 41.24 60.12 94.89 41.83 61.74 93.14 41.76 61.26 92.00 42.65 3 0 10.83-999 ?-999 ?-999 ? O2S MES C 201 mALA^C 42 60.01 93.46 40.10 60.48 92.67 39.72 57.71 93.08 39.55 57.88 91.91 39.20 58.85 94.08 39.49 59.16 94.44 38.06 2 0 11.35-999 ?-999 ?-999 ? O2S MES C 201 mARG^C 43 56.54 93.52 40.01 56.53 94.49 40.27 54.24 93.10 39.24 53.91 94.28 39.21 55.38 92.64 40.12 54.88 92.60 41.56 2 0 13.48-999 ?-999 ?-999 ? C2 MES C 201 mGLY~C 44 53.63 92.16 38.52 53.99 91.23 38.63 52.99 92.83 36.27 54.10 93.33 36.11 52.51 92.51 37.66-999.99-999.99-999.99 1 0 13.39-999 ?-999 ?-999 ? C2 MES C 201 mLYS~C 45 52.17 92.54 35.27 51.30 92.15 35.54 52.97 94.25 33.67 53.91 94.52 32.92 52.57 92.80 33.89 51.44 92.46 32.92 2 0 11.88-999 ?-999 ?-999 ? C2 MES C 201 mGLU~C 46 52.28 95.17 34.32 51.55 94.83 34.92 53.97 96.95 34.65 54.80 97.44 33.91 52.59 96.58 34.13 51.51 97.46 34.77 2 0 14.58-999 ?-999 ?-999 ? C2 MES C 201 mGLU~C 47 54.21 96.69 35.93 53.45 96.26 36.43 56.65 96.35 35.77 57.72 96.95 35.63 55.50 97.01 36.52 55.55 96.56 37.99 2 0 13.59-999 ?-999 ?-999 ? O3S MES C 201 mILE~C 48 56.43 95.12 35.30 55.52 94.76 35.49 57.72 95.01 33.21 58.85 95.06 32.75 57.46 94.38 34.57 57.06 92.92 34.35 3 0 9.96-999 ?-999 ?-999 ? O3S MES C 201 mLYS~C 49 56.65 95.49 32.59 55.79 95.39 33.07 57.68 97.36 31.45 58.63 97.56 30.70 56.80 96.13 31.29 55.43 96.52 30.73 2 0 10.84-999 ?-999 ?-999 ? O3S MES C 201 mLYS~C 50 57.36 98.18 32.44 56.56 97.91 32.98 59.60 99.03 32.95 60.51 99.67 32.40 58.14 99.38 32.71 57.57 100.13 33.91 2 0 12.37-999 ?-999 ?-999 ? O3S MES C 201 mALA~C 51 59.84 98.02 33.77 59.03 97.57 34.14 62.03 97.36 32.85 63.16 97.84 32.74 61.20 97.61 34.10 61.18 96.38 34.97 2 0 9.65-999 ?-999 ?-999 ? O3S MES C 201 mPHE~C 52 61.48 96.62 31.89 60.56 96.30 32.11 62.42 97.57 29.82 63.49 97.77 29.25 62.19 96.32 30.65 61.40 95.32 29.82 3 0 -7.55-999 ?-999 ?-999 ? O3S MES C 201s mILE~C 53 61.40 98.42 29.75 60.58 98.14 30.24 62.66 100.48 29.60 63.47 101.03 28.86 61.53 99.65 29.00 60.21 100.46 29.02 3 0 11.04-999 ?-999 ?-999 ? O3S MES C 201 mTHR~C 54 62.71 100.57 30.93 61.99 100.06 31.40 65.14 100.78 31.34 66.00 101.48 30.81 63.75 101.34 31.62 63.53 101.38 33.15 2 0 11.99-999 ?-999 ?-999 ? O3S MES C 201 mILE~C 55 65.35 99.51 31.69 64.56 99.05 32.09 66.85 98.50 30.02 67.67 97.63 29.71 66.64 98.89 31.48 66.80 97.64 32.35 3 0 9.51-999 ?-999 ?-999 ? O3S MES C 201 mALA~C 56 66.12 99.15 29.12 65.51 99.84 29.51 67.63 99.09 27.11 68.16 98.22 26.45 66.24 98.85 27.70 65.19 99.63 26.92 2 0 9.96-999 ?-999 ?-999 ? O3S MES C 201 mASN~C 57 68.25 100.25 27.33 67.75 100.91 27.89 70.64 100.06 27.77 71.22 100.92 28.41 69.58 100.43 26.76 69.82 101.87 26.30 2 0 12.48-999 ?-999 ?-999 ? O3S MES C 201 mTYR~C 58 70.92 98.78 27.93 70.41 98.14 27.37 72.73 97.19 28.56 72.83 96.27 29.36 71.92 98.43 28.90 71.28 98.25 30.27 3 0 10.91-999 ?-999 ?-999 ? O1S MES C 201 mPHE~C 59 73.31 97.17 27.36 73.15 97.97 26.79 75.51 96.26 27.51 75.95 97.41 27.61 74.11 96.02 26.97 74.11 95.86 25.44 3 0 10.51-999 ?-999 ?-999 ? O1S MES C 201 mASN~C 60 76.20 95.20 27.90 75.72 94.33 27.80 78.60 95.06 27.31 78.78 93.92 26.88 77.56 95.33 28.42 77.76 94.39 29.62 2 0 12.14-999 ?-999 ?-999 ? O1S MES C 201 mHIS~C 61 79.25 96.14 26.85 78.99 96.98 27.32 81.18 94.87 25.88 81.63 94.49 26.97 80.26 96.09 25.78 81.07 97.41 25.75 3 0 15.40-999 ?-999 ?-999 ? O1S MES C 201 mHIS~C 62 81.43 94.28 24.71 80.97 94.74 23.95 81.85 91.91 25.41 82.58 91.49 26.31 82.27 93.09 24.53 83.75 93.42 24.78 3 0 16.40-999 ?-999 ?-999 ? O1S MES C 201 mILE~C 63 80.64 91.41 25.16 80.15 91.88 24.43 78.94 89.71 25.06 78.02 90.44 24.66 80.10 90.26 25.89 79.61 90.64 27.33 3 0 13.34-999 ?-999 ?-999 ? O1S MES C 201 mVAL~C 64 79.00 88.41 24.80 79.80 87.95 25.18 77.66 86.35 24.64 78.47 85.41 24.56 77.98 87.73 24.01 78.46 87.57 22.53 3 0 12.22-999 ?-999 ?-999 ? O1S MES C 201 mPRO~C 65 76.48 86.22 25.28 75.92 87.04 25.29 75.85 83.84 24.92 75.93 84.06 23.71 76.06 84.97 25.92 74.79 85.37 26.65 3 0 10.19-999 ?-999 ?-999 ? O1S MES C 201 mTHR^C 66 75.56 82.65 25.43 75.51 82.67 26.43 74.48 80.46 25.49 74.86 80.15 26.62 75.32 81.43 24.65 76.65 80.72 24.30 2 0 11.97-999 ?-999 ?-999 ? O1S MES C 201 mGLN^C 67 73.35 80.00 24.95 73.16 80.36 24.03 73.29 77.81 26.00 74.04 77.28 25.17 72.49 79.06 25.66 71.27 78.67 24.80 2 0 11.12-999 ?-999 ?-999 ? C5 MES C 201 mGLY^C 68 73.13 77.33 27.23 72.50 77.84 27.81 72.91 75.10 28.21 71.73 75.04 27.85 73.85 76.15 27.66-999.99-999.99-999.99 1 0 13.15-999 ?-999 ?-999 ? C5 MES C 201 mLYS^C 69 73.44 74.26 29.09 74.40 74.44 29.30 71.39 73.71 30.31 71.37 74.80 30.88 72.68 73.17 29.70 73.54 72.49 30.78 2 0 14.20-999 ?-999 ?-999 ? C5 MES C 201 mMETC 70 70.30 72.96 30.16 70.43 72.11 29.65 68.22 72.26 31.27 67.79 71.39 30.53 69.04 73.40 30.72 68.23 74.13 29.68 2 0 11.96-999 ?-999 ?-999 ? C6 MES C 201 mILE^C 71 67.97 72.27 32.58 68.36 73.04 33.08 65.77 71.67 33.44 65.54 72.83 33.78 67.19 71.21 33.19 67.79 70.77 34.52 3 0 13.32-999 ?-999 ?-999 ? C6 MES C 201 mLEU^C 72 64.81 70.76 33.27 65.13 69.86 32.97 62.79 70.19 34.54 62.81 68.98 34.40 63.41 71.10 33.51 62.59 70.99 32.23 3 0 12.70-999 ?-999 ?-999 ? C6 MES C 201 mLEU^C 73 62.23 70.79 35.58 62.31 71.78 35.59 60.10 70.35 36.53 59.66 71.37 37.05 61.57 70.01 36.62 62.10 70.39 38.00 3 0 14.35-999 ?-999 ?-999 ? C8 MES D 201 mGLU^C 74 59.35 69.49 35.84 59.85 68.70 35.48 57.08 68.99 36.70 57.31 67.82 37.01 57.92 69.70 35.64 57.54 69.22 34.23 2 0 15.34-999 ?-999 ?-999 ? C6 MES C 201 mALA^C 75 56.13 69.71 37.27 56.06 70.65 36.95 53.82 69.42 37.91 53.10 70.15 38.60 55.27 69.12 38.28 55.61 69.69 39.66 2 0 13.88-999 ?-999 ?-999 ? C6 MES D 201 mGLY~C 76 53.41 68.84 36.78 54.10 68.28 36.32 51.74 70.45 35.89 52.06 70.91 34.80 52.06 69.02 36.29-999.99-999.99-999.99 1 0 17.10-999 ?-999 ?-999 ? C6 MES D 201 mASP~C 77 51.08 71.16 36.80 50.91 70.66 37.65 51.84 73.50 36.32 51.81 74.28 35.37 50.67 72.54 36.58 49.86 73.01 37.79 2 0 17.01-999 ?-999 ?-999 ? O1 MES C 201 mTHR^C 78 52.87 73.46 37.17 52.79 72.76 37.89 55.29 73.64 36.59 55.31 72.41 36.53 54.01 74.35 37.04 54.28 75.08 38.37 2 0 14.00-999 ?-999 ?-999 ? C6 MES C 201 mVAL^C 79 56.33 74.41 36.27 56.15 75.38 36.37 58.81 74.70 36.26 58.84 75.91 36.00 57.62 73.86 35.81 57.70 73.81 34.27 3 0 11.94-999 ?-999 ?-999 ? C6 MES C 201 mLEU^C 80 59.80 74.09 36.91 59.67 73.11 37.07 62.11 74.65 36.33 62.62 73.54 36.18 60.98 74.85 37.33 61.49 74.43 38.71 3 0 10.96-999 ?-999 ?-999 ? C6 MES C 201 mVAL^C 81 62.50 75.74 35.66 62.01 76.57 35.90 64.90 76.16 35.17 65.01 77.27 35.71 63.55 75.68 34.65 63.22 76.56 33.43 3 0 8.76-999 ?-999 ?-999 ? C6 MES C 201 mLEU^C 82 65.93 75.32 35.00 65.69 74.45 34.56 68.12 75.87 34.17 68.73 74.93 33.68 67.29 75.69 35.43 67.90 74.60 36.30 3 0 10.23-999 ?-999 ?-999 ? C6 MES C 201 mSER^C 83 68.12 77.09 33.66 67.58 77.75 34.18 70.25 77.99 32.68 70.44 79.00 33.36 68.85 77.44 32.44 68.03 78.46 31.63 2 0 8.72-999 ?-999 ?-999 ? C5 MES C 201 mGLN^C 84 71.24 77.33 32.10 70.96 76.51 31.59 72.92 78.61 30.98 72.62 78.20 29.86 72.60 77.79 32.22 73.56 76.62 32.31 2 0 11.05-999 ?-999 ?-999 ? C5 MES C 201 mTHR^C 85 73.53 79.77 31.20 73.72 79.96 32.16 75.40 80.85 30.13 75.97 81.19 31.16 73.89 80.67 30.11 73.24 82.03 30.32 2 0 9.93-999 ?-999 ?-999 ? O1S MES C 201 mLEU^C 86 76.04 80.60 28.99 75.44 80.33 28.24 77.87 82.12 28.42 77.20 82.70 27.56 77.49 80.72 28.88 78.01 79.67 27.90 3 0 12.55-999 ?-999 ?-999 ? O1S MES C 201 mLEU~C 87 78.93 82.66 29.01 79.36 82.07 29.70 80.37 84.02 27.48 80.28 84.90 26.61 79.41 84.00 28.68 80.11 84.63 29.89 3 0 12.62-999 ?-999 ?-999 ? O1S MES C 201 mASP~C 88 81.30 83.07 27.42 81.28 82.42 28.19 82.07 81.78 25.42 81.60 81.90 24.27 82.27 83.01 26.32 83.70 83.02 26.86 2 0 16.08-999 ?-999 ?-999 ? O1S MES C 201 mMETC 98 82.93 80.92 32.83 83.60 80.17 32.81 80.54 81.54 32.49 80.24 81.32 31.32 81.96 82.00 32.87 82.39 83.13 31.94 2 0 15.72-999 ?-999 ?-999 ? O1S MES C 201 mGLU^C 99 79.69 81.40 33.50 80.06 81.63 34.40 77.33 81.63 34.21 77.69 82.19 35.24 78.32 80.97 33.27 78.23 79.46 33.43 2 0 13.18-999 ?-999 ?-999 ? O1S MES C 201 mARG^C 100 76.05 81.54 33.85 75.90 81.04 33.00 73.80 81.17 34.73 73.02 81.01 33.78 74.98 82.13 34.64 74.56 83.47 34.01 2 0 10.36-999 ?-999 ?-999 ? O1S MES C 201 mARG^C 101 73.66 80.54 35.89 74.35 80.78 36.57 71.35 80.25 36.74 71.33 80.61 37.91 72.59 79.59 36.13 73.11 78.47 37.02 2 0 10.96-999 ?-999 ?-999 ? C8 MES C 201 mALA^C 102 70.31 80.39 35.92 70.46 80.03 34.99 67.98 80.02 36.65 68.07 78.84 36.31 69.07 81.01 36.33 68.59 81.97 35.27 2 0 8.21-999 ?-999 ?-999 ? C8 MES C 201 mTHR^C 103 66.94 80.51 37.32 67.01 81.48 37.52 64.50 80.36 37.30 64.16 81.41 37.83 65.80 79.68 37.71 65.76 79.46 39.23 2 0 8.56-999 ?-999 ?-999 ? C6 MES C 201 mTYR^C 104 63.79 79.77 36.36 64.16 78.91 36.01 61.42 79.43 36.27 61.61 78.23 36.35 62.55 80.36 35.90 62.55 80.56 34.38 3 0 -6.03-999 ?-999 ?-999 ? C6 MES C 201s mVAL^C 105 60.24 79.99 36.48 60.21 80.98 36.38 57.93 79.53 35.90 57.46 80.67 35.89 59.08 79.17 36.83 58.64 79.40 38.30 3 0 8.24-999 ?-999 ?-999 ? C6 MES C 201 mPHE^C 106 57.48 78.56 35.12 57.96 77.69 35.22 55.17 77.98 34.68 55.31 76.93 35.32 56.38 78.77 34.21 56.73 78.31 32.79 3 0 8.37-999 ?-999 ?-999 ? O1 MES C 201 mLYS^C 107 53.98 78.49 34.37 54.02 79.35 33.86 51.86 77.76 33.49 51.63 78.77 32.83 52.73 77.84 34.74 52.03 78.63 35.85 2 0 11.63-999 ?-999 ?-999 ? O1 MES C 201 mLYS^C 108 51.41 76.56 33.16 51.70 75.83 33.77 49.13 76.75 32.30 48.49 76.15 33.15 50.57 76.35 31.98 50.63 74.87 31.56 2 0 13.41-999 ?-999 ?-999 ? O1 MES C 201 mASN~C 109 48.62 77.77 31.61 49.25 78.17 30.95 46.24 77.30 31.18 46.63 76.27 30.63 47.25 78.24 31.84 47.09 79.65 31.28 2 0 15.39-999 ?-999 ?-999 ? O1 MES C 201 mALA~C 110 44.96 77.65 31.24 44.78 78.51 31.72 44.15 76.61 29.14 44.00 75.51 28.63 43.92 76.82 30.64 42.56 77.43 30.89 2 0 16.15-999 ?-999 ?-999 ? C2 MES A 201 mGLN~C 111 44.53 77.69 28.45 44.63 78.51 29.01 45.90 76.70 26.64 46.10 76.39 25.46 44.78 77.66 27.02 45.12 79.07 26.51 2 0 16.40-999 ?-999 ?-999 ? O1S MES B 201 mGLY~C 112 46.65 76.23 27.62 46.42 76.57 28.53 49.05 75.97 27.01 50.00 75.29 26.65 47.73 75.30 27.32-999.99-999.99-999.99 1 0 16.45-999 ?-999 ?-999 ? O1 MES C 201 mGLU~C 113 49.11 77.29 27.16 48.25 77.71 27.48 51.09 78.33 28.16 50.53 78.89 29.09 50.33 78.03 26.89 50.01 79.33 26.16 2 0 12.98-999 ?-999 ?-999 ? O1 MES C 201 mTRP^C 114 52.37 77.96 28.20 52.70 77.51 27.37 53.61 79.65 29.55 54.31 80.22 28.72 53.20 78.19 29.39 54.45 77.32 29.35 3 0 10.09-999 ?-999 ?-999 ? O1 MES C 201 mLEU^C 115 53.17 80.26 30.63 52.60 79.71 31.24 54.57 81.68 31.97 54.76 80.71 32.70 53.51 81.64 30.89 52.28 82.40 31.36 3 0 8.28-999 ?-999 ?-999 ? O1 MES C 201 mCYH^C 116 55.27 82.80 32.09 55.03 83.52 31.44 55.67 83.53 34.37 54.92 84.50 34.27 56.29 82.92 33.12 57.43 83.78 32.61 2 0 6.06-999 ?-999 ?-999 ? O1 MES C 201 mVAL^C 117 55.97 82.96 35.53 56.60 82.19 35.47 56.50 84.05 37.68 56.29 85.04 38.37 55.41 83.47 36.79 54.69 82.36 37.56 3 0 8.90-999 ?-999 ?-999 ? C2 MES C 201 mILE^C 118 57.67 83.41 37.66 57.68 82.60 37.07 60.04 83.85 37.53 60.50 82.79 37.10 58.80 83.88 38.44 59.03 83.00 39.69 3 0 8.59-999 ?-999 ?-999 ? C6 MES C 201 mASP^C 119 60.55 85.05 37.25 60.06 85.80 37.69 62.87 85.75 37.26 62.97 86.94 37.59 61.70 85.25 36.40 61.34 86.31 35.33 2 0 -6.00-999 ?-999 ?-999 ? C6 MES C 201s mASN^C 120 63.74 84.83 37.64 63.52 83.90 37.34 66.16 84.75 37.68 66.69 83.66 37.89 64.91 85.18 38.44 64.86 84.48 39.81 2 0 6.73-999 ?-999 ?-999 ? O2S MES C 201 mSER~C 121 66.64 85.61 36.79 66.14 86.47 36.73 69.10 85.07 36.80 70.15 84.83 36.21 67.82 85.28 36.01 68.05 86.36 34.94 2 0 -4.76-999 ?-999 ?-999 ? O2S MES C 201s mTYR~C 122 69.00 85.16 38.12 68.07 85.35 38.44 70.21 83.64 39.67 71.26 83.23 40.15 70.16 85.00 39.00 70.17 86.08 40.09 3 0 7.86-999 ?-999 ?-999 ? O2S MES C 201 mGLY~C 123 69.08 82.96 39.73 68.29 83.39 39.31 69.39 81.73 41.84 69.03 82.69 42.52 69.07 81.65 40.36-999.99-999.99-999.99 1 0 10.52-999 ?-999 ?-999 ? O2S MES C 201 mTHR~C 124 70.07 80.70 42.34 70.29 79.99 41.67 71.55 81.65 44.09 71.86 81.85 45.26 70.45 80.64 43.75 70.93 79.21 44.13 2 0 13.98-999 ?-999 ?-999 ? O2S MES C 201 mASP~C 125 72.13 82.28 43.07 71.78 82.02 42.17 72.61 84.43 44.06 73.33 85.18 44.70 73.18 83.27 43.27 73.72 83.79 41.93 2 0 13.30-999 ?-999 ?-999 ? O2S MES C 201 mLEU~C 126 71.29 84.57 44.03 70.81 83.88 43.50 70.97 85.59 46.23 71.06 86.61 46.90 70.63 85.66 44.74 69.12 85.54 44.54 3 0 12.70-999 ?-999 ?-999 ? O2S MES C 201 mILE~C 127 71.19 84.38 46.72 71.10 83.64 46.04 72.90 84.76 48.42 73.03 85.64 49.26 71.53 84.16 48.12 71.56 82.64 48.42 3 0 16.46-999 ?-999 ?-999 ? O2S MES C 201 mGLY~C 128 73.91 84.26 47.74 73.67 83.54 47.08 75.54 86.13 47.41 74.59 86.94 47.33 75.26 84.74 47.95-999.99-999.99-999.99 1 0 17.64-999 ?-999 ?-999 ? O2S MES C 201 mMETD 1 54.68 83.41 56.39 54.21 83.16 57.24 56.70 83.04 55.00 56.72 81.85 54.71 55.38 83.79 55.12 55.65 85.29 55.12 2 0 14.53-999 ?-999 ?-999 ? C6 MES D 201 mGLU~D 2 57.80 83.75 55.23 57.64 84.71 55.44 59.30 82.16 56.29 60.16 81.29 56.23 59.12 83.16 55.17 60.20 84.22 55.33 2 0 13.03-999 ?-999 ?-999 ? C6 MES D 201 mGLN~D 3 58.49 82.29 57.34 57.82 83.03 57.26 57.84 80.10 58.34 58.42 79.02 58.44 58.61 81.39 58.48 58.16 82.09 59.77 2 0 13.06-999 ?-999 ?-999 ? C6 MES D 201 mGLN~D 4 56.54 80.19 58.10 56.18 81.12 58.01 56.36 78.02 56.99 56.31 76.80 57.19 55.75 78.98 57.98 54.32 79.32 57.58 2 0 11.65-999 ?-999 ?-999 ? O1 MES D 201 mLEU~D 5 56.97 78.55 55.94 56.94 79.55 55.88 58.82 77.07 55.64 59.06 75.87 55.56 57.60 77.68 54.97 58.03 78.45 53.72 3 0 8.45-999 ?-999 ?-999 ? C6 MES D 201 mLYS~D 6 59.60 77.92 56.31 59.29 78.87 56.31 60.42 76.44 58.08 61.24 75.61 58.47 60.79 77.45 57.00 61.55 78.63 57.61 2 0 8.82-999 ?-999 ?-999 ? C5 MES D 201 mASP~D 7 59.18 76.53 58.56 58.64 77.26 58.15 58.19 74.31 58.96 58.17 73.27 59.62 58.66 75.62 59.59 57.50 76.28 60.36 2 0 9.71-999 ?-999 ?-999 ? O1 MES D 201 mILE~D 8 57.78 74.39 57.70 57.82 75.31 57.31 58.57 72.41 56.52 58.55 71.18 56.44 57.34 73.22 56.95 56.57 73.62 55.68 3 0 6.60-999 ?-999 ?-999 ? O1 MES D 201 mILE~D 9 59.66 73.12 56.24 59.56 74.12 56.32 61.30 71.58 57.01 61.50 70.38 56.85 60.87 72.45 55.84 62.01 73.44 55.53 3 0 -4.87-999 ?-999 ?-999 ? O1 MES D 201s mSER~D 10 61.43 72.21 58.19 61.21 73.18 58.15 60.89 70.40 59.77 61.29 69.30 60.15 61.85 71.53 59.42 61.92 72.52 60.59 2 0 7.96-999 ?-999 ?-999 ? C3 MES D 201 mALA~D 11 59.60 70.68 59.63 59.39 71.61 59.33 58.90 68.44 59.08 58.87 67.32 59.59 58.59 69.68 59.92 57.21 70.22 59.59 2 0 8.29-999 ?-999 ?-999 ? O1 MES D 201 mCYH~D 12 59.21 68.64 57.81 59.20 69.60 57.53 60.85 66.87 57.24 60.97 65.65 57.29 59.52 67.52 56.90 59.54 68.00 55.46 2 0 5.38-999 ?-999 ?-999 ? C3 MES D 201 mASP~D 13 61.85 67.72 57.47 61.58 68.68 57.37 63.13 66.36 59.03 63.91 65.40 59.13 63.19 67.30 57.82 64.03 68.52 58.15 2 0 6.03-999 ?-999 ?-999 ? C3 MES D 201 mLEU~D 14 62.20 66.64 59.94 61.65 67.45 59.73 61.21 64.57 60.78 61.55 63.47 61.21 62.02 65.82 61.13 61.29 66.62 62.20 3 0 9.42-999 ?-999 ?-999 ? C3 MES D 201 mALA~D 15 60.15 64.75 59.98 60.00 65.70 59.70 60.16 62.58 58.90 59.78 61.40 58.85 59.31 63.64 59.57 58.24 64.13 58.63 2 0 9.21-999 ?-999 ?-999 ? C3 MES D 201 mILE~D 16 61.31 63.00 58.37 61.47 63.98 58.48 63.14 61.38 58.70 63.46 60.21 58.54 62.24 62.09 57.70 63.11 62.84 56.67 3 0 7.70-999 ?-999 ?-999 ? O2S MES D 201 mGLN~D 17 63.56 62.09 59.74 63.26 63.05 59.76 63.62 60.42 61.53 64.15 59.35 61.86 64.41 61.47 60.76 64.94 62.51 61.74 2 0 10.39-999 ?-999 ?-999 ? O2S MES D 201 mASN~D 18 62.35 60.72 61.82 62.06 61.62 61.50 60.98 58.71 61.58 60.12 57.91 61.94 61.49 59.78 62.54 60.30 60.52 63.18 2 0 13.06-999 ?-999 ?-999 ? O2S MES D 201 mGLU~D 19 61.52 58.70 60.37 62.21 59.41 60.22 59.62 57.50 59.28 59.17 56.37 59.10 61.13 57.73 59.35 61.83 56.38 59.59 2 0 11.92-999 ?-999 ?-999 ? O2S MES D 201 mASP~D 20 58.85 58.57 59.44 59.34 59.42 59.62 56.95 59.22 58.09 56.29 60.25 58.15 57.39 58.46 59.35 56.71 59.04 60.60 2 0 12.97-999 ?-999 ?-999 ? O2S MES D 201 mPHE~D 21 57.36 58.67 56.94 57.89 57.83 57.06 55.54 59.34 55.39 55.10 59.97 54.43 57.05 59.24 55.64 57.70 58.39 54.54 3 0 10.69-999 ?-999 ?-999 ? C2 MES D 201 mASP~D 22 54.76 58.69 56.24 55.25 58.20 56.96 52.81 60.13 56.42 51.83 60.58 55.81 53.32 58.72 56.12 52.71 57.68 57.08 2 0 12.89-999 ?-999 ?-999 ? C2 MES D 201 mTHR~D 23 53.48 60.84 57.33 54.25 60.36 57.74 53.84 63.21 56.80 53.43 64.36 56.66 53.08 62.21 57.67 53.39 62.55 59.17 2 0 11.34-999 ?-999 ?-999 ? C2 MES D 201 mLEU~D 24 54.96 62.76 56.24 55.17 61.81 56.46 55.12 63.85 54.03 55.30 64.91 53.45 55.79 63.59 55.37 57.14 62.90 55.13 3 0 7.69-999 ?-999 ?-999 ? C2 MES D 201 mMETD 25 54.34 62.88 53.55 54.27 62.07 54.13 52.47 63.97 52.31 51.82 64.19 51.30 53.67 63.03 52.27 53.21 61.67 51.76 2 0 8.67-999 ?-999 ?-999 ? C2 MES D 201 mASN~D 26 52.18 64.50 53.49 52.78 64.22 54.24 51.54 66.82 53.28 50.73 67.74 53.13 51.07 65.43 53.65 50.59 65.42 55.09 2 0 9.92-999 ?-999 ?-999 ? C2 MES D 201 mTYR~D 27 52.85 66.98 53.13 53.38 66.15 53.30 53.71 68.37 51.27 54.06 69.44 50.77 53.44 68.26 52.78 54.74 68.46 53.53 3 0 6.74-999 ?-999 ?-999 ? O1 MES D 201 mTYR^D 28 53.56 67.25 50.56 53.27 66.46 51.10 52.50 67.26 48.35 51.46 66.88 48.88 53.81 67.21 49.13 54.58 65.93 48.78 3 0 -7.06-999 ?-999 ?-999 ? C2 MES D 201s mSER^D 29 52.54 67.74 47.11 53.44 68.06 46.81 51.19 66.39 45.72 52.07 65.55 45.90 51.34 67.79 46.29 51.49 68.77 45.14 2 0 10.36-999 ?-999 ?-999 ? O1 MES D 201 mGLU^D 30 50.10 66.14 45.01 49.47 66.90 44.88 50.78 64.51 43.24 51.28 63.39 43.09 49.90 64.80 44.46 48.43 64.59 44.11 2 0 13.17-999 ?-999 ?-999 ? C2 MES D 201 mASP^D 31 50.98 65.51 42.39 50.52 66.36 42.65 53.19 65.97 41.31 53.84 66.28 40.31 51.79 65.36 41.17 51.06 66.00 39.98 2 0 13.87-999 ?-999 ?-999 ? C2 MES D 201 mALA^D 32 53.64 66.10 42.56 53.01 65.77 43.26 56.10 65.91 42.25 55.93 64.79 41.77 54.94 66.68 42.87 55.12 66.76 44.37 2 0 10.46-999 ?-999 ?-999 ? C2 MES D 201 mVAL^D 33 57.27 66.53 42.23 57.25 67.46 42.61 59.57 66.15 42.69 59.68 67.24 43.23 58.47 65.90 41.69 58.89 66.50 40.36 3 0 10.50-999 ?-999 ?-999 ? C2 MES D 201 mLEU^D 34 60.38 65.13 42.94 60.18 64.30 42.42 62.75 64.77 43.25 62.81 63.70 42.64 61.46 65.25 43.90 61.13 64.42 45.15 3 0 7.88-999 ?-999 ?-999 ? O1S MES D 201 mVAL^D 35 63.78 65.60 43.33 63.60 66.46 43.80 65.81 64.50 43.90 66.22 65.12 44.89 65.06 65.22 42.78 65.84 66.47 42.32 3 0 7.32-999 ?-999 ?-999 ? O1S MES D 201 mVAL~D 36 65.98 63.18 43.76 65.59 62.80 42.92 68.17 62.63 44.68 68.83 62.88 45.69 66.68 62.38 44.77 66.46 60.87 44.57 3 0 6.47-999 ?-999 ?-999 ? O1S MES D 201 mLYS~D 37 68.67 62.57 43.44 67.98 62.35 42.76 70.13 63.05 41.62 69.21 62.68 40.89 70.07 62.77 43.11 70.90 61.52 43.44 2 0 8.45-999 ?-999 ?-999 ? O1S MES D 201 mPRO~D 38 71.20 63.70 41.13 71.88 63.94 41.82 70.92 62.86 38.80 71.36 61.73 39.00 71.33 64.01 39.71 72.80 64.39 39.57 3 0 11.50-999 ?-999 ?-999 ? O1S MES D 201 mGLY~D 39 70.08 63.16 37.81 69.82 64.13 37.77 68.78 61.11 37.58 68.98 59.92 37.38 69.60 62.16 36.87-999.99-999.99-999.99 1 0 14.01-999 ?-999 ?-999 ? O1S MES D 201 mMETD 40 67.84 61.56 38.41 67.75 62.55 38.44 65.91 61.43 39.84 66.12 62.08 40.87 67.02 60.65 39.19 67.90 59.99 40.25 2 0 12.13-999 ?-999 ?-999 ? O1S MES D 201 mILE^D 41 64.72 61.38 39.26 64.67 60.83 38.43 62.45 61.18 40.15 62.25 60.17 39.47 63.62 62.11 39.86 63.16 63.25 38.94 3 0 11.25-999 ?-999 ?-999 ? O1S MES D 201 mALA^D 42 61.69 61.52 41.17 61.98 62.35 41.65 59.29 61.59 41.33 59.24 62.75 41.76 60.53 60.73 41.56 60.64 60.33 43.02 2 0 11.67-999 ?-999 ?-999 ? O1S MES D 201 mARG^D 43 58.28 61.02 40.66 58.45 60.07 40.39 55.82 61.14 41.02 55.63 59.93 40.98 57.05 61.76 40.35 56.86 61.80 38.83 2 0 13.63-999 ?-999 ?-999 ? C2 MES D 201 mGLY~D 44 54.99 61.98 41.63 55.24 62.94 41.59 54.08 61.16 43.75 55.21 60.82 44.10 53.80 61.47 42.29-999.99-999.99-999.99 1 0 13.45-999 ?-999 ?-999 ? C2 MES D 201 mLYS~D 45 53.07 61.29 44.60 52.21 61.58 44.20 53.82 59.63 46.28 54.66 59.45 47.16 53.26 61.02 46.02 51.95 61.18 46.79 2 0 11.77-999 ?-999 ?-999 ? C2 MES D 201 mGLU~D 46 53.35 58.65 45.52 52.69 58.92 44.83 55.29 57.09 45.42 56.04 56.65 46.29 53.81 57.27 45.71 52.98 56.31 44.87 2 0 14.36-999 ?-999 ?-999 ? C2 MES D 201 mGLU~D 47 55.72 57.44 44.21 55.00 57.79 43.60 58.06 58.04 44.78 59.15 57.55 45.08 57.13 57.31 43.83 57.37 57.84 42.41 2 0 13.63-999 ?-999 ?-999 ? O2S MES D 201 mILE~D 48 57.62 59.21 45.26 56.72 59.47 44.92 58.50 59.39 47.53 59.53 59.46 48.19 58.40 60.04 46.17 57.78 61.45 46.36 3 0 9.93-999 ?-999 ?-999 ? O2S MES D 201 mLYS~D 49 57.41 58.76 47.96 56.63 58.80 47.34 58.45 56.97 49.21 59.28 56.86 50.10 57.41 58.09 49.24 56.02 57.52 49.55 2 0 10.76-999 ?-999 ?-999 ? O2S MES D 201 mLYS~D 50 58.40 56.17 48.15 57.68 56.38 47.49 60.79 55.58 48.00 61.66 55.01 48.65 59.36 55.08 47.99 59.09 54.32 46.69 2 0 12.52-999 ?-999 ?-999 ? O2S MES D 201 mALA~D 51 61.05 56.66 47.26 60.26 57.03 46.77 62.96 57.54 48.57 64.11 57.20 48.86 62.39 57.24 47.18 62.37 58.50 46.34 2 0 9.97-999 ?-999 ?-999 ? O2S MES D 201 mPHE~D 52 62.16 58.17 49.43 61.25 58.38 49.07 62.83 57.26 51.61 63.80 57.17 52.37 62.59 58.50 50.79 61.55 59.37 51.50 3 0 -7.77-999 ?-999 ?-999 ? O2S MES D 201s mILE~D 53 61.94 56.29 51.48 61.18 56.49 50.85 63.38 54.39 51.78 64.14 53.90 52.63 62.08 55.05 52.21 60.90 54.11 51.94 3 0 11.25-999 ?-999 ?-999 ? O2S MES D 201 mTHR~D 54 63.66 54.39 50.48 62.96 54.83 49.91 66.13 54.47 50.50 66.96 53.86 51.17 64.89 53.77 49.96 64.94 53.82 48.40 2 0 12.38-999 ?-999 ?-999 ? O2S MES D 201 mILE~D 55 66.25 55.76 50.22 65.50 56.15 49.68 67.32 56.87 52.16 67.97 57.80 52.63 67.40 56.53 50.67 67.54 57.83 49.87 3 0 9.90-999 ?-999 ?-999 ? O1S MES D 201 mALA~D 56 66.51 56.12 52.90 66.04 55.39 52.40 67.65 56.18 55.09 68.02 57.01 55.92 66.34 56.36 54.33 65.28 55.42 54.90 2 0 10.31-999 ?-999 ?-999 ? O2S MES D 201 mASN~D 57 68.34 55.09 54.77 67.92 54.53 54.05 70.83 54.94 54.53 71.95 55.03 55.03 69.60 54.75 55.42 69.53 53.29 55.92 2 0 13.10-999 ?-999 ?-999 ? O2S MES D 201 mTYR~D 58 70.63 55.01 53.22 69.67 54.93 52.92 72.10 56.67 52.22 72.71 57.12 51.25 71.75 55.19 52.33 71.44 54.61 50.95 3 0 12.59-999 ?-999 ?-999 ? O1S MES D 201 mPHE~D 59 71.71 57.43 53.25 71.23 56.91 53.95 72.28 59.19 54.79 71.45 58.95 55.67 71.97 58.87 53.34 70.73 59.67 52.91 3 0 9.91-999 ?-999 ?-999 ? O1S MES D 201 mASN~D 60 73.46 59.74 55.06 74.04 59.88 54.26 73.30 61.46 56.81 74.01 62.45 56.71 73.83 60.08 56.43 75.36 60.06 56.60 2 0 11.13-999 ?-999 ?-999 ? O3S MES D 201 mHIS~D 61 72.04 61.51 57.22 71.55 60.64 57.24 72.05 63.13 58.98 73.24 62.88 59.22 71.45 62.79 57.62 69.93 62.67 57.74 3 0 8.58-999 ?-999 ?-999 ? O3S MES D 201 mHIS~D 62 71.23 63.68 59.88 70.30 63.83 59.55 73.03 64.80 61.14 73.96 64.55 61.93 71.69 64.04 61.22 71.84 62.78 62.08 3 0 10.82-999 ?-999 ?-999 ? O3S MES D 201 mILE~D 63 73.13 65.71 60.18 72.31 65.80 59.61 74.11 67.95 60.43 74.77 68.87 59.94 74.34 66.50 59.98 74.81 66.50 58.48 3 0 11.04-999 ?-999 ?-999 ? O3S MES D 201 mVAL~D 64 73.19 68.14 61.38 72.76 67.30 61.69 73.01 70.54 60.81 73.75 71.52 60.97 72.86 69.47 61.89 73.74 69.87 63.12 3 0 11.73-999 ?-999 ?-999 ? O3S MES D 201 mPRO~D 65 72.32 70.34 59.67 71.77 69.51 59.63 71.97 72.67 59.18 70.86 72.77 59.71 72.42 71.33 58.59 71.45 70.79 57.55 3 0 9.57-999 ?-999 ?-999 ? O3S MES D 201 mTHR^D 66 72.81 73.71 59.11 73.68 73.56 58.65 71.61 75.84 58.71 72.15 76.21 57.66 72.37 74.97 59.70 73.55 75.80 60.28 2 0 12.19-999 ?-999 ?-999 ? O3S MES D 201 mGLN^D 67 70.36 76.15 59.03 70.04 75.77 59.90 70.24 78.34 57.94 70.78 78.93 58.87 69.54 77.00 58.16 68.15 77.24 58.77 2 0 11.62-999 ?-999 ?-999 ? C7 MES D 201 mGLY^D 68 70.25 78.79 56.69 69.80 78.21 56.01 69.95 80.98 55.65 68.72 80.88 55.77 70.89 80.05 56.37-999.99-999.99-999.99 1 0 13.66-999 ?-999 ?-999 ? C5 MES D 201 mLYS^D 69 70.53 81.90 54.88 71.53 81.85 54.88 68.68 82.18 53.29 68.90 81.09 52.76 69.76 82.88 54.12 70.72 83.66 53.21 2 0 14.53-999 ?-999 ?-999 ? C5 MES D 201 mMETD 70 67.51 82.79 53.19 67.44 83.66 53.68 65.61 83.24 51.71 64.99 84.08 52.35 66.44 82.19 52.42 65.53 81.37 53.31 2 0 12.22-999 ?-999 ?-999 ? C5 MES D 201 mILE^D 71 65.60 83.20 50.38 66.15 82.47 49.97 63.52 83.53 49.12 63.48 82.35 48.79 64.82 84.16 49.62 65.61 84.68 48.41 3 0 13.74-999 ?-999 ?-999 ? C5 MES D 201 mLEU^D 72 62.46 84.32 49.08 62.62 85.26 49.39 60.65 84.66 47.46 60.49 85.86 47.58 61.18 83.82 48.61 60.14 83.84 49.72 3 0 13.10-999 ?-999 ?-999 ? C6 MES D 201 mLEU^D 73 60.37 84.01 46.33 60.58 83.03 46.35 58.39 84.18 45.05 58.18 83.09 44.53 59.81 84.71 45.20 60.62 84.43 43.95 3 0 14.51-999 ?-999 ?-999 ? O2S MES C 201 mGLU^D 74 57.43 84.95 45.53 57.76 85.81 45.94 55.33 85.20 44.28 55.46 86.39 44.01 56.03 84.57 45.48 55.34 85.00 46.79 2 0 15.41-999 ?-999 ?-999 ? C6 MES D 201 mALA^D 75 54.61 84.37 43.54 54.61 83.42 43.85 52.44 84.37 42.49 51.99 83.54 41.70 53.88 84.85 42.38 54.52 84.33 41.11 2 0 14.12-999 ?-999 ?-999 ? C2 MES C 201 mGLY~D 76 51.74 84.91 43.49 52.25 85.57 44.05 50.15 83.09 44.09 50.35 82.66 45.24 50.36 84.55 43.74-999.99-999.99-999.99 1 0 17.28-999 ?-999 ?-999 ? C2 MES C 201 mASP~D 77 49.76 82.31 43.09 49.66 82.80 42.22 50.68 80.05 43.76 50.55 79.27 44.70 49.49 80.89 43.26 48.98 80.31 41.94 2 0 16.83-999 ?-999 ?-999 ? C6 MES D 201 mTHR^D 78 51.84 80.21 43.13 51.82 80.89 42.39 54.10 80.33 44.19 53.96 81.55 44.27 53.04 79.46 43.50 53.64 78.80 42.24 2 0 13.66-999 ?-999 ?-999 ? C6 MES D 201 mVAL^D 79 55.16 79.69 44.69 55.13 78.70 44.55 57.62 79.68 45.17 57.74 78.50 45.43 56.27 80.36 45.39 56.05 80.39 46.91 3 0 11.79-999 ?-999 ?-999 ? C6 MES D 201 mLEU^D 80 58.62 80.42 44.71 58.40 81.38 44.52 60.82 80.13 45.72 61.13 81.29 46.00 59.94 79.83 44.51 60.64 80.37 43.24 3 0 10.99-999 ?-999 ?-999 ? C6 MES D 201 mVAL^D 81 61.23 79.08 46.42 60.91 78.19 46.09 63.57 78.98 47.34 63.94 77.90 46.89 62.08 79.27 47.59 61.63 78.37 48.75 3 0 9.08-999 ?-999 ?-999 ? C6 MES D 201 mLEU^D 82 64.42 79.94 47.68 63.99 80.78 48.03 66.46 79.66 48.91 66.90 80.66 49.46 65.86 79.76 47.53 66.49 80.93 46.79 3 0 10.43-999 ?-999 ?-999 ? C5 MES D 201 mSER^D 83 66.48 78.44 49.45 66.10 77.74 48.86 68.50 77.80 50.83 68.93 76.82 50.21 67.02 78.17 50.79 66.20 77.05 51.43 2 0 8.85-999 ?-999 ?-999 ? C5 MES D 201 mGLN^D 84 69.27 78.57 51.58 68.82 79.34 52.03 70.87 77.49 53.01 70.32 77.84 54.05 70.68 78.27 51.72 71.51 79.54 51.78 2 0 11.33-999 ?-999 ?-999 ? C7 MES D 201 mTHR^D 85 71.66 76.43 52.93 72.05 76.27 52.02 73.41 75.59 54.31 74.19 75.32 53.39 71.92 75.58 54.07 71.47 74.14 53.79 2 0 10.11-999 ?-999 ?-999 ? O3S MES D 201 mLEU^D 86 73.81 75.91 55.53 73.05 76.10 56.16 75.66 74.61 56.48 74.92 73.97 57.22 75.22 75.96 55.91 75.43 77.06 56.94 3 0 12.87-999 ?-999 ?-999 ? O3S MES D 201 mLEU~D 87 76.88 74.21 56.12 77.36 74.85 55.53 78.15 73.01 57.91 77.99 72.12 58.75 77.44 72.93 56.56 78.43 72.39 55.52 3 0 13.10-999 ?-999 ?-999 ? O3S MES D 201 mASP~D 88 78.93 74.07 58.12 78.97 74.71 57.35 79.16 75.43 60.21 78.54 75.25 61.26 79.66 74.25 59.38 81.16 74.42 59.10 2 0 16.55-999 ?-999 ?-999 ? O3S MES D 201 mMETD 98 81.26 76.44 53.01 81.82 77.26 53.14 78.96 75.53 52.93 78.43 75.71 54.03 80.46 75.25 52.81 80.84 74.17 53.82 2 0 16.17-999 ?-999 ?-999 ? O3S MES D 201 mGLU^D 99 78.28 75.56 51.79 78.83 75.38 50.97 76.12 75.07 50.67 76.73 74.60 49.72 76.84 75.83 51.78 76.60 77.32 51.59 2 0 13.51-999 ?-999 ?-999 ? O3S MES D 201 mARG^D 100 74.81 74.99 50.81 74.44 75.44 51.63 72.73 75.09 49.52 71.78 75.14 50.31 73.98 74.29 49.85 73.60 72.91 50.40 2 0 10.62-999 ?-999 ?-999 ? O3S MES D 201 mARG^D 101 72.74 75.71 48.35 73.58 75.57 47.81 70.60 75.73 47.07 70.84 75.38 45.92 71.62 76.53 47.89 72.16 77.70 47.08 2 0 10.78-999 ?-999 ?-999 ? C8 MES D 201 mALA^D 102 69.46 75.46 47.70 69.40 75.84 48.62 67.27 75.54 46.54 67.15 76.72 46.87 68.39 74.69 47.08 67.83 73.67 48.07 2 0 7.87-999 ?-999 ?-999 ? C8 MES D 201 mTHR^D 103 66.44 74.93 45.71 66.66 73.97 45.54 64.06 74.75 45.26 63.97 73.68 44.69 65.30 75.61 45.10 65.52 75.82 43.58 2 0 8.51-999 ?-999 ?-999 ? C5 MES D 201 mTYR^D 104 63.12 75.23 46.06 63.33 76.11 46.48 60.74 75.32 45.66 60.83 76.55 45.53 61.88 74.50 46.27 61.62 74.31 47.78 3 0 -5.98-999 ?-999 ?-999 ? C6 MES D 201s mVAL^D 105 59.68 74.63 45.27 59.73 73.64 45.40 57.28 74.83 45.41 56.96 73.65 45.36 58.53 75.32 44.71 58.38 75.04 43.20 3 0 7.91-999 ?-999 ?-999 ? C6 MES D 201 mPHE^D 106 56.60 75.75 46.09 57.00 76.66 46.08 54.17 76.04 46.09 54.29 77.10 45.47 55.36 75.40 46.78 55.39 75.86 48.24 3 0 8.09-999 ?-999 ?-999 ? C6 MES D 201 mLYS^D 107 53.02 75.37 46.18 53.08 74.52 46.69 50.69 75.81 46.65 50.46 74.77 47.28 51.78 75.86 45.58 51.41 75.01 44.35 2 0 11.50-999 ?-999 ?-999 ? C6 MES D 201 mLYS^D 108 50.06 76.96 46.90 50.38 77.73 46.34 47.70 76.50 47.29 47.17 77.03 46.32 49.00 77.06 47.88 48.80 78.53 48.29 2 0 13.48-999 ?-999 ?-999 ? O1 MES D 201 mASN~D 109 47.20 75.41 47.88 47.74 75.08 48.65 44.74 75.60 47.88 44.88 76.67 48.49 45.96 74.79 47.42 45.87 73.35 47.96 2 0 15.30-999 ?-999 ?-999 ? O1 MES D 201 mALA~D 110 43.54 75.10 47.58 43.56 74.23 47.09 42.25 76.02 49.48 41.89 77.11 49.94 42.32 75.79 47.97 41.10 75.00 47.49 2 0 18.83-999 ?-999 ?-999 ? O1 MES D 201 mGLN~D 111 42.61 74.99 50.25 42.89 74.18 49.73 43.50 76.14 52.28 43.44 76.47 53.47 42.59 75.04 51.71 43.00 73.68 52.31 2 0 17.97-999 ?-999 ?-999 ? O1 MES D 201 mGLY~D 112 44.35 76.71 51.43 44.33 76.36 50.49 46.55 77.25 52.49 47.32 78.03 53.06 45.24 77.76 51.90-999.99-999.99-999.99 1 0 16.52-999 ?-999 ?-999 ? O1 MES D 201 mGLU~D 113 46.80 75.96 52.37 46.08 75.44 51.90 49.04 75.16 51.75 48.72 74.55 50.72 48.03 75.37 52.88 47.74 74.03 53.57 2 0 13.01-999 ?-999 ?-999 ? O1 MES D 201 mTRP^D 114 50.25 75.66 51.95 50.37 76.12 52.83 51.90 74.12 50.88 52.48 73.64 51.84 51.30 75.53 50.94 52.42 76.55 51.20 3 0 10.19-999 ?-999 ?-999 ? O1 MES D 201 mLEU^D 115 51.74 73.46 49.74 51.24 73.95 49.03 53.52 72.23 48.72 53.71 73.21 48.01 52.28 72.13 49.59 51.26 71.25 48.90 3 0 8.14-999 ?-999 ?-999 ? O1 MES D 201 mCYH^D 116 54.37 71.21 48.75 54.12 70.46 49.37 55.26 70.54 46.59 54.63 69.50 46.55 55.57 71.23 47.92 56.71 70.54 48.65 2 0 5.86-999 ?-999 ?-999 ? O1 MES D 201 mVAL^D 117 55.70 71.15 45.49 56.21 71.99 45.65 56.76 70.14 43.50 56.82 69.11 42.81 55.45 70.58 44.16 54.75 71.61 43.24 3 0 8.57-999 ?-999 ?-999 ? C6 MES D 201 mILE^D 118 57.80 70.92 43.71 57.61 71.73 44.27 60.13 70.80 44.28 60.35 71.90 44.79 59.12 70.62 43.17 59.46 71.55 41.99 3 0 7.93-999 ?-999 ?-999 ? C6 MES D 201 mASP^D 119 60.74 69.68 44.67 60.45 68.88 44.14 63.08 69.25 45.12 63.37 68.08 44.87 61.73 69.61 45.73 61.31 68.53 46.74 2 0 -5.46-999 ?-999 ?-999 ? C6 MES D 201s mASN^D 120 63.88 70.28 44.85 63.50 71.17 45.06 66.23 70.66 45.24 66.63 71.81 45.09 65.21 70.08 44.28 65.31 70.77 42.92 2 0 6.43-999 ?-999 ?-999 ? C8 MES D 201 mSER~D 121 66.65 69.86 46.22 66.25 68.94 46.21 68.99 70.66 46.65 69.89 71.05 47.40 67.61 70.32 47.22 67.75 69.26 48.32 2 0 -4.65-999 ?-999 ?-999 ? C8 MES D 201s mTYR~D 122 69.14 70.55 45.33 68.32 70.25 44.84 70.43 72.21 44.01 71.49 72.76 43.74 70.41 70.85 44.67 70.74 69.79 43.63 3 0 7.91-999 ?-999 ?-999 ? O1S MES D 201 mGLY~D 123 69.25 72.75 43.74 68.45 72.21 44.00 69.81 74.01 41.70 69.72 73.01 41.01 69.18 74.04 43.09-999.99-999.99-999.99 1 0 10.20-999 ?-999 ?-999 ? C8 MES D 201 mTHR~D 124 70.43 75.12 41.31 70.41 75.86 41.99 72.34 74.40 39.91 72.94 74.29 38.84 71.07 75.25 40.02 71.44 76.72 39.71 2 0 13.92-999 ?-999 ?-999 ? C8 MES D 201 mASP~D 125 72.76 73.80 41.02 72.19 73.98 41.83 73.69 71.74 40.16 74.61 71.10 39.66 73.95 72.96 41.03 74.30 72.52 42.46 2 0 13.32-999 ?-999 ?-999 ? O1S MES D 201 mLEU~D 126 72.41 71.42 39.99 71.77 72.02 40.47 72.64 70.40 37.78 73.01 69.41 37.16 72.01 70.28 39.17 70.49 70.23 39.07 3 0 12.66-999 ?-999 ?-999 ? O1S MES D 201 mILE~D 127 72.76 71.63 37.28 72.42 72.35 37.90 74.79 71.47 35.93 75.17 70.62 35.13 73.33 71.90 35.97 73.22 73.41 35.65 3 0 16.45-999 ?-999 ?-999 ? O1S MES D 201 mGLY~D 128 75.60 72.08 36.79 75.14 72.75 37.39 77.36 70.47 37.48 76.50 69.55 37.40 77.02 71.81 36.86-999.99-999.99-999.99 1 0 17.60-999 ?-999 ?-999 ? O1S MES D 201