HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 29-FEB-08 3CEW COMPND UNCHARACTERIZED CUPIN PROTEIN; COMPND 3 CHAIN: A, B, C, D; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: BACTEROIDES FRAGILIS; SOURCE 3 ORGANISM_TAXID: 272559; SOURCE 4 STRAIN: NCTC 9343; SOURCE 5 ATCC: 25285; SOURCE 6 GENE: BF4112; SOURCE 7 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 8 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 9 EXPRESSION_SYSTEM_STRAIN: BL21(DE3)+MAGIC; SOURCE 10 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 11 EXPRESSION_SYSTEM_PLASMID: PET21 AUTHOR F.FOROUHAR,Y.CHEN,J.SEETHARAMAN,L.MAO,R.XIAO,C.CICCOSANTI,E.L.FOOTE, AUTHOR 2 M.MAGLAQUI,H.WANG,M.C.BARAN,T.B.ACTON,G.T.MONTELIONE,J.F.HUNT, AUTHOR 3 L.TONG,NORTHEAST STRUCTURAL GENOMICS CONSORTIUM (NESG) HET MSE A 1 8 HET MSE A 7 8 HET MSE A 111 8 HET MSE B 1 8 HET MSE B 7 8 HET MSE B 111 8 HET MSE C 1 8 HET MSE C 7 8 HET MSE C 111 8 HET MSE D 1 8 HET MSE D 7 8 HET MSE D 111 8 HET ZN A 201 1 HET ZN B 201 1 HET ZN C 201 1 HET ZN D 201 1 SITE 1 AC1 3 HIS A 43 HIS A 45 GLU A 50 SITE 1 AC2 3 HIS B 43 HIS B 45 GLU B 50 SITE 1 AC3 3 HIS C 43 HIS C 45 GLU C 50 SITE 1 AC4 3 HIS D 43 HIS D 45 GLU D 50 mMETA 1 61.47 40.85 89.53 62.25 41.47 89.49 59.66 39.70 88.22 60.10 40.25 87.21 60.31 39.92 89.58 59.27 40.43 90.60 2 0 20.30-999 ?-999 ?-999 ? ZN ZN B 201 mLYS.A 2 58.62 38.87 88.19 58.37 38.51 89.09 57.28 39.72 86.23 56.87 40.70 86.85 57.91 38.54 86.96 56.82 37.50 87.26 2 0 17.19-999 ?-999 ?-999 ? ZN ZN B 201 mASN.A 3 57.19 39.60 84.91 57.55 38.74 84.55 55.09 40.56 84.03 54.46 41.12 83.14 56.61 40.65 84.07 57.16 40.56 82.65 2 0 13.65-999 ?-999 ?-999 ? ZN ZN B 201 mTYR^A 4 54.51 39.85 84.99 55.14 39.44 85.65 52.57 39.34 86.43 53.34 38.92 87.28 53.06 39.70 85.03 52.60 38.60 84.06 3 0 13.26-999 ?-999 ?-999 ? ZN ZN B 201 mGLN^A 5 51.26 39.51 86.63 50.79 39.90 85.84 49.24 38.59 87.45 48.63 39.04 86.48 50.58 39.17 87.87 50.35 40.40 88.75 2 0 15.67-999 ?-999 ?-999 ? ZN ZN B 201 mLYS^A 6 48.78 37.58 88.19 49.36 37.33 88.96 46.66 36.71 89.11 47.16 36.63 90.23 47.52 36.92 87.88 47.80 35.56 87.22 2 0 16.47-999 ?-999 ?-999 ? ZN ZN B 201 mMETA 7 45.35 36.61 88.89 45.09 36.72 87.94 43.13 35.81 89.37 42.88 35.97 88.18 44.41 36.36 89.97 44.11 37.65 90.75 2 0 19.17-999 ?-999 ?-999 ? ZN ZN B 201 mSER^A 8 42.33 35.16 90.21 42.67 35.10 91.15 39.92 35.27 90.46 40.01 35.58 91.65 41.08 34.59 89.75 41.04 33.08 90.02 2 0 20.78-999 ?-999 ?-999 ? ZN ZN B 201 mVAL.A 9 38.85 35.50 89.73 38.92 35.20 88.78 36.46 35.24 90.14 36.19 34.72 89.06 37.68 36.15 90.28 37.38 37.47 89.54 3 0 20.47-999 ?-999 ?-999 ? ZN ZN A 201 mALA.A 10 35.74 35.04 91.24 36.09 35.51 92.05 33.52 34.79 90.24 33.52 35.99 89.97 34.54 34.21 91.23 33.94 34.15 92.64 2 0 22.11-999 ?-999 ?-999 ? ZN ZN A 201 mGLN.A 11 32.66 33.93 89.71 32.77 32.99 90.04 30.80 35.53 89.14 30.49 36.39 88.31 31.64 34.32 88.73 30.72 33.13 88.44 2 0 21.77-999 ?-999 ?-999 ? ZN ZN A 201 mASP.A 12 30.42 35.59 90.41 30.74 34.83 90.98 30.32 37.51 91.99 29.69 37.97 92.94 29.61 36.70 90.90 28.27 36.16 91.43 2 0 19.93-999 ?-999 ?-999 ? ZN ZN A 201 mALA.A 13 31.62 37.70 91.85 32.03 37.28 91.03 32.54 39.91 92.38 32.69 40.17 91.18 32.37 38.47 92.84 33.74 37.82 93.10 2 0 18.32-999 ?-999 ?-999 ? ZN ZN A 201 mARG.A 14 32.51 40.83 93.33 32.36 40.45 94.24 34.03 42.66 93.60 34.27 42.61 94.80 32.67 42.25 93.07 31.58 43.05 93.79 2 0 14.81-999 ?-999 ?-999 ? ZN ZN A 201 mVAL^A 15 34.92 43.05 92.69 34.60 43.04 91.75 36.86 44.48 92.14 36.35 44.72 91.05 36.26 43.44 93.08 37.22 42.22 93.11 3 0 14.00-999 ?-999 ?-999 ? ZN ZN A 201 mGLU^A 16 37.94 45.11 92.60 38.20 44.83 93.53 40.04 45.47 91.62 40.59 44.86 92.54 38.67 46.09 91.83 38.78 47.40 92.61 2 0 12.00-999 ?-999 ?-999 ? ZN ZN A 201 mLEU~A 17 40.59 45.64 90.43 40.05 46.20 89.80 43.13 45.90 90.28 44.22 45.35 90.34 41.88 45.05 90.10 41.83 44.54 88.65 3 0 14.08-999 ?-999 ?-999 ? ZN ZN A 201 mHIS~A 18 42.99 47.22 90.37 42.05 47.55 90.35 45.21 47.63 91.51 46.34 47.34 91.16 44.17 48.06 90.48 43.78 49.52 90.73 3 0 13.70-999 ?-999 ?-999 ? ZN ZN A 201 mASP~A 19 44.82 47.58 92.79 43.87 47.81 92.96 46.18 45.72 93.80 47.35 45.39 94.00 45.78 47.19 93.82 45.25 47.58 95.21 2 0 16.43-999 ?-999 ?-999 ? ZN ZN A 201 mSER~A 20 45.22 44.83 93.54 44.32 45.23 93.37 46.43 42.97 92.38 47.17 42.00 92.52 45.49 43.40 93.51 44.19 42.60 93.41 2 0 18.46-999 ?-999 ?-999 ? ZN ZN A 201 mLEU~A 21 46.38 43.67 91.25 45.71 44.42 91.26 48.34 44.39 89.93 49.16 44.26 89.03 47.24 43.35 90.13 46.43 43.23 88.84 3 0 17.48-999 ?-999 ?-999 ? ZN ZN B 201 mALA~A 22 48.33 45.42 90.78 47.60 45.38 91.46 49.28 47.16 89.32 50.32 47.34 88.68 49.32 46.50 90.70 50.73 45.96 91.00 2 0 18.22-999 ?-999 ?-999 ? ZN ZN B 201 mLEU.A 23 48.09 47.52 88.86 47.32 47.32 89.47 48.55 49.57 87.64 48.56 50.19 88.71 47.95 48.17 87.57 46.47 48.25 87.18 3 0 15.66-999 ?-999 ?-999 ? ZN ZN B 201 mTHR.A 24 49.05 50.06 86.52 48.99 49.46 85.73 49.01 52.24 85.39 49.24 53.44 85.32 49.65 51.40 86.49 51.18 51.35 86.25 2 0 15.97-999 ?-999 ?-999 ? ZN ZN B 201 mGLY.A 25 48.22 51.61 84.54 48.11 50.63 84.70 46.09 52.40 83.51 45.46 53.04 82.68 47.60 52.35 83.46-999.99-999.99-999.99 1 0 14.16-999 ?-999 ?-999 ? ZN ZN B 201 mALA.A 26 45.50 51.74 84.50 46.12 51.27 85.13 43.57 51.13 85.91 44.36 50.62 86.70 44.05 51.74 84.61 43.45 50.96 83.45 2 0 11.86-999 ?-999 ?-999 ? ZN ZN A 201 mGLU^A 27 42.26 51.21 86.10 41.78 51.72 85.40 40.50 49.82 86.55 39.86 50.34 85.63 41.61 50.59 87.24 41.02 51.62 88.21 2 0 9.85-999 ?-999 ?-999 ? ZN ZN A 201 mVAL^A 28 40.29 48.58 86.97 40.91 48.28 87.70 38.36 47.23 87.51 38.84 46.58 88.43 39.24 47.75 86.40 39.82 46.54 85.65 3 0 10.18-999 ?-999 ?-999 ? ZN ZN A 201 mSER^A 29 37.08 47.53 87.44 36.80 48.09 86.66 35.15 46.11 87.85 34.57 46.39 86.80 36.17 47.05 88.46 35.48 48.22 89.17 2 0 9.40-999 ?-999 ?-999 ? ZN ZN A 201 mILE^A 30 34.94 44.98 88.51 35.51 44.87 89.33 32.82 44.06 89.04 33.02 43.90 90.24 33.98 43.99 88.05 34.60 42.58 88.09 3 0 12.02-999 ?-999 ?-999 ? ZN ZN A 201 mASN^A 31 31.62 44.29 88.54 31.57 44.37 87.55 29.22 43.84 88.80 29.20 43.48 87.63 30.48 44.39 89.44 30.29 45.88 89.85 2 0 12.09-999 ?-999 ?-999 ? ZN ZN A 201 mHIS^A 32 28.16 43.76 89.60 28.33 44.04 90.54 25.80 43.64 90.10 26.01 43.64 91.31 26.88 43.30 89.09 26.90 41.80 88.77 3 0 14.34-999 ?-999 ?-999 ? ZN ZN A 201 mLEU^A 33 24.64 43.99 89.56 24.61 43.94 88.56 22.37 43.40 90.21 22.12 42.92 89.10 23.51 44.38 90.38 23.06 45.78 89.96 3 0 15.48-999 ?-999 ?-999 ? ZN ZN A 201 mPRO.A 34 21.68 43.07 91.30 21.99 43.50 92.15 19.40 42.87 90.55 19.41 44.09 90.49 20.56 42.13 91.22 20.28 41.80 92.68 3 0 19.22-999 ?-999 ?-999 ? ZN ZN A 201 mALA.A 35 18.42 42.11 90.07 18.55 41.13 90.20 16.64 43.83 90.24 16.52 43.72 91.46 17.25 42.70 89.42 16.21 41.62 89.15 2 0 20.97-999 ?-999 ?-999 ? ZN ZN A 201 mGLY.A 36 16.26 44.91 89.57 16.43 44.88 88.59 16.56 46.92 91.07 16.11 47.87 91.72 15.63 46.03 90.25-999.99-999.99-999.99 1 0 20.52-999 ?-999 ?-999 ? ZN ZN A 201 mALA.A 37 17.85 46.63 91.05 18.10 45.84 90.49 19.66 48.28 90.88 19.68 48.07 89.67 18.79 47.43 91.81 19.67 46.53 92.66 2 0 17.43-999 ?-999 ?-999 ? ZN ZN A 201 mGLY.A 38 20.38 49.24 91.46 20.26 49.31 92.45 22.16 50.93 91.55 21.93 51.02 92.75 21.25 50.09 90.67-999.99-999.99-999.99 1 0 13.83-999 ?-999 ?-999 ? ZN ZN A 201 mVAL.A 39 23.19 51.53 90.95 23.27 51.34 89.97 23.24 53.51 92.28 22.53 54.20 91.56 24.09 52.39 91.70 25.19 52.96 90.79 3 0 10.78-999 ?-999 ?-999 ? ZN ZN A 201 mPRO.A 40 23.28 53.69 93.61 23.90 53.05 94.07 22.91 56.17 94.12 22.37 57.05 94.77 22.51 54.71 94.32 22.64 54.28 95.79 3 0 12.85-999 ?-999 ?-999 ? ZN ZN A 201 mPHE.A 41 23.85 56.42 93.22 24.23 55.63 92.74 24.71 58.04 91.55 24.92 57.10 90.78 24.26 57.80 92.99 25.39 58.18 93.96 3 0 10.75-999 ?-999 ?-999 ? ZN ZN A 201 mVAL^A 42 24.83 59.31 91.19 24.60 59.96 91.92 26.65 60.32 89.97 26.96 61.00 90.95 25.26 59.72 89.86 24.32 60.80 89.28 3 0 9.22-999 ?-999 ?-999 ? ZN ZN A 201 mHIS^A 43 27.51 60.07 88.99 27.18 59.49 88.25 29.48 60.88 87.71 29.09 60.31 86.71 28.84 60.65 89.06 29.78 59.78 89.92 3 0 -6.67-999 ?-999 ?-999 ? ZN ZN A 201s mSER^A 44 30.49 61.74 87.72 30.66 62.14 88.62 32.72 61.92 86.98 33.00 61.52 88.11 31.26 62.06 86.55 30.96 63.49 86.07 2 0 6.51-999 ?-999 ?-999 ? ZN ZN A 201 mHIS^A 45 33.63 62.26 86.08 33.26 62.59 85.21 35.81 63.44 86.03 35.40 64.19 85.16 35.06 62.17 86.37 35.66 60.99 85.60 3 0 -6.52-999 ?-999 ?-999 ? ZN ZN A 201s mLYS.A 46 36.92 63.68 86.73 37.14 62.98 87.41 38.59 64.72 85.25 38.63 65.60 84.40 37.71 64.87 86.49 38.58 65.20 87.70 2 0 9.94-999 ?-999 ?-999 ? ZN ZN A 201 mGLN.A 47 39.29 63.59 85.15 39.18 62.94 85.89 40.18 61.98 83.42 40.87 61.72 82.44 40.15 63.40 83.99 41.58 63.83 84.33 2 0 10.66-999 ?-999 ?-999 ? ZN ZN A 201 mASN^A 48 39.43 61.07 84.03 38.90 61.39 84.81 38.26 59.36 82.59 37.09 59.63 82.88 39.41 59.70 83.53 39.38 58.70 84.68 2 0 8.16-999 ?-999 ?-999 ? ZN ZN A 201 mGLU^A 49 38.63 58.76 81.47 39.61 58.67 81.35 37.19 56.95 81.10 37.94 56.30 81.82 37.66 58.28 80.50 38.37 58.04 79.16 2 0 8.59-999 ?-999 ?-999 ? ZN ZN A 201 mGLU^A 50 35.96 56.56 80.84 35.42 57.17 80.26 34.88 54.44 80.28 34.15 54.92 79.41 35.47 55.31 81.38 34.44 55.60 82.49 2 0 -6.57-999 ?-999 ?-999 ? ZN ZN A 201s mILE^A 51 35.22 53.16 80.30 35.83 52.91 81.06 33.93 51.15 80.02 34.41 50.49 80.94 34.75 52.21 79.30 35.94 51.55 78.58 3 0 9.20-999 ?-999 ?-999 ? ZN ZN A 201 mTYR^A 52 32.69 51.00 79.60 32.42 51.60 78.85 31.59 48.85 79.26 31.40 49.04 78.05 31.81 50.01 80.21 30.47 50.65 80.57 3 0 9.61-999 ?-999 ?-999 ? ZN ZN A 201 mGLY^A 53 31.64 47.65 79.81 31.84 47.64 80.79 30.40 45.60 79.78 30.66 45.19 80.92 31.40 46.46 79.03-999.99-999.99-999.99 1 0 12.95-999 ?-999 ?-999 ? ZN ZN A 201 mILE^A 54 29.24 45.33 79.18 29.13 45.73 78.27 28.53 43.05 79.54 28.47 42.61 78.40 28.24 44.51 79.84 26.80 44.87 79.39 3 0 14.76-999 ?-999 ?-999 ? ZN ZN A 201 mLEU^A 55 28.89 42.31 80.58 28.90 42.80 81.46 28.04 39.96 80.47 28.07 38.91 79.83 29.23 40.90 80.44 30.22 40.48 81.54 3 0 17.19-999 ?-999 ?-999 ? ZN ZN A 201 mSER^A 56 26.99 40.35 81.18 27.08 41.24 81.63 24.57 40.26 81.69 24.65 41.39 82.16 25.82 39.49 81.28 26.08 38.38 82.29 2 0 19.20-999 ?-999 ?-999 ? ZN ZN A 201 mGLY^A 57 23.43 39.61 81.53 23.51 38.69 81.13 21.78 41.38 81.05 22.18 41.48 79.88 22.17 40.21 81.91-999.99-999.99-999.99 1 0 20.16-999 ?-999 ?-999 ? ZN ZN A 201 mLYS^A 58 21.01 42.29 81.63 20.78 42.09 82.58 20.14 44.54 81.90 19.96 44.27 83.09 20.54 43.46 80.92 19.35 43.08 80.03 2 0 19.13-999 ?-999 ?-999 ? ZN ZN A 201 mGLY^A 59 20.01 45.76 81.41 20.18 45.85 80.42 19.63 48.19 81.54 19.32 48.27 80.35 19.64 46.86 82.27-999.99-999.99-999.99 1 0 17.33-999 ?-999 ?-999 ? ZN ZN A 201 mPHE^A 60 19.97 49.25 82.27 20.22 49.04 83.21 21.10 51.42 82.32 21.60 51.11 83.40 19.99 50.59 81.70 18.67 51.31 82.01 3 0 15.59-999 ?-999 ?-999 ? ZN ZN A 201 mILE^A 61 21.48 52.47 81.63 21.04 52.57 80.73 21.99 54.78 81.74 21.64 55.01 80.58 22.47 53.39 82.15 23.90 53.13 81.61 3 0 12.45-999 ?-999 ?-999 ? ZN ZN A 201 mTHR^A 62 21.93 55.69 82.70 22.20 55.37 83.61 22.70 57.92 82.30 23.50 58.02 83.24 21.48 57.03 82.41 20.53 57.57 83.51 2 0 13.01-999 ?-999 ?-999 ? ZN ZN A 201 mILE^A 63 22.85 58.56 81.15 22.15 58.36 80.47 23.43 60.83 80.59 22.75 61.01 79.58 23.98 59.45 80.93 24.87 58.94 79.77 3 0 12.02-999 ?-999 ?-999 ? ZN ZN A 201 mASP.A 64 23.71 61.79 81.46 24.26 61.49 82.24 21.75 63.24 80.99 21.32 63.87 80.01 23.26 63.16 81.27 24.06 63.81 80.12 2 0 13.91-999 ?-999 ?-999 ? ZN ZN A 201 mGLY.A 65 20.95 62.60 81.84 21.42 62.12 82.57 18.92 61.67 80.67 17.72 61.44 80.64 19.50 62.64 81.68-999.99-999.99-999.99 1 0 16.48-999 ?-999 ?-999 ? ZN ZN A 201 mGLU^A 66 19.78 61.09 79.82 20.73 61.36 79.95 19.58 58.71 79.24 20.72 58.33 79.51 19.31 60.15 78.81 20.00 60.43 77.48 2 0 17.09-999 ?-999 ?-999 ? ZN ZN A 201 mLYS^A 67 18.54 57.88 79.29 17.65 58.27 79.04 18.89 55.60 78.47 18.08 55.62 77.56 18.76 56.51 79.68 17.66 56.02 80.64 2 0 16.62-999 ?-999 ?-999 ? ZN ZN A 201 mILE^A 68 19.96 54.81 78.48 20.53 54.90 79.29 20.07 52.45 77.83 20.55 52.05 78.89 20.25 53.89 77.39 21.71 54.06 76.93 3 0 16.74-999 ?-999 ?-999 ? ZN ZN A 201 mGLU^A 69 19.36 51.67 77.02 19.01 52.13 76.20 20.45 49.51 77.15 21.25 49.81 76.25 19.14 50.27 77.34 18.06 49.67 76.44 2 0 18.44-999 ?-999 ?-999 ? ZN ZN A 201 mLEU^A 70 20.68 48.53 78.01 19.94 48.40 78.68 21.60 46.24 78.00 20.64 45.79 78.62 21.89 47.73 77.97 22.77 48.06 79.18 3 0 17.10-999 ?-999 ?-999 ? ZN ZN A 201 mGLN^A 71 22.46 45.47 77.32 23.17 45.99 76.84 23.76 43.45 77.10 24.67 44.15 76.66 22.36 44.02 77.31 21.43 43.54 76.20 2 0 19.23-999 ?-999 ?-999 ? ZN ZN A 201 mALA.A 72 23.92 42.18 77.43 23.10 41.73 77.78 25.77 41.82 75.89 25.05 41.78 74.89 25.21 41.51 77.27 25.04 40.01 77.46 2 0 19.56-999 ?-999 ?-999 ? ZN ZN A 201 mGLY.A 73 27.06 42.15 75.82 27.54 42.17 76.70 27.78 43.95 74.23 28.47 44.33 73.28 27.67 42.46 74.54-999.99-999.99-999.99 1 0 19.63-999 ?-999 ?-999 ? ZN ZN A 201 mASP^A 74 27.11 44.79 75.02 26.59 44.35 75.75 28.42 46.85 75.42 28.82 46.51 76.54 27.17 46.23 74.81 25.93 46.92 75.41 2 0 17.22-999 ?-999 ?-999 ? ZN ZN A 201 mTRP^A 75 29.05 47.76 74.68 28.64 47.92 73.78 30.07 49.96 74.96 29.57 50.42 73.92 30.25 48.45 75.14 31.49 47.98 74.38 3 0 14.87-999 ?-999 ?-999 ? ZN ZN A 201 mLEU^A 76 30.49 50.72 75.96 30.89 50.24 76.74 31.58 52.92 76.35 32.33 52.45 77.21 30.36 52.17 75.88 29.19 52.65 76.73 3 0 12.67-999 ?-999 ?-999 ? ZN ZN A 201 mARG^A 77 31.77 54.10 75.78 31.12 54.31 75.05 32.10 56.15 76.80 31.09 56.59 76.26 32.85 54.98 76.17 33.64 55.51 74.97 2 0 11.46-999 ?-999 ?-999 ? ZN ZN A 201 mILE^A 78 32.58 56.64 77.93 33.38 56.17 78.30 32.98 58.83 78.83 33.98 58.55 79.48 31.92 57.78 78.55 31.22 57.39 79.85 3 0 9.32-999 ?-999 ?-999 ? ZN ZN A 201 mALA.A 79 32.77 60.03 78.31 31.93 60.13 77.78 33.63 61.54 79.98 32.61 61.35 80.64 33.73 61.10 78.53 33.44 62.28 77.60 2 0 10.40-999 ?-999 ?-999 ? ZN ZN A 201 mPRO.A 80 34.71 62.12 80.51 35.47 62.20 79.87 33.56 63.40 82.38 33.04 63.14 83.46 34.77 62.60 81.90 36.03 63.45 81.89 3 0 8.83-999 ?-999 ?-999 ? ZN ZN A 201 mASP.A 81 33.12 64.37 81.58 33.64 64.47 80.73 30.63 64.48 82.00 29.68 64.97 82.61 31.97 65.20 81.94 31.85 66.39 80.97 2 0 10.89-999 ?-999 ?-999 ? ZN ZN A 201 mGLY.A 82 30.53 63.32 81.37 31.35 63.01 80.89 28.83 62.21 82.82 29.62 61.66 83.60 29.27 62.59 81.41-999.99-999.99-999.99 1 0 9.92-999 ?-999 ?-999 ? ZN ZN A 201 mLYS.A 83 27.58 62.51 83.15 27.08 63.00 82.44 26.33 60.81 84.22 25.37 60.71 83.45 27.00 62.15 84.45 25.98 63.20 84.89 2 0 9.40-999 ?-999 ?-999 ? ZN ZN A 201 mARG^A 84 26.83 59.78 84.89 27.56 60.01 85.53 25.77 57.74 85.92 26.13 58.07 87.04 26.32 58.43 84.69 27.44 57.57 84.11 2 0 8.00-999 ?-999 ?-999 ? ZN ZN A 201 mGLN^A 85 24.92 56.74 85.67 24.74 56.60 84.70 23.69 54.71 86.07 22.73 54.81 85.32 24.30 55.95 86.73 23.22 56.75 87.45 2 0 9.11-999 ?-999 ?-999 ? ZN ZN A 201 mILE^A 86 24.28 53.56 86.35 25.06 53.63 86.97 22.89 51.56 86.75 22.96 51.74 87.97 23.81 52.30 85.78 25.01 51.39 85.40 3 0 10.41-999 ?-999 ?-999 ? ZN ZN A 201 mSER^A 87 22.01 50.73 86.20 22.04 50.70 85.20 20.70 48.68 86.24 20.78 48.63 85.01 21.10 49.94 87.00 19.84 50.74 87.37 2 0 13.70-999 ?-999 ?-999 ? ZN ZN A 201 mALA^A 88 20.27 47.66 86.98 20.27 47.83 87.97 18.43 46.53 85.87 17.74 47.50 86.18 19.85 46.41 86.38 19.94 45.28 87.40 2 0 16.62-999 ?-999 ?-999 ? ZN ZN A 201 mALA.A 89 18.00 45.56 85.08 18.67 44.85 84.88 15.73 45.15 85.71 16.17 44.58 86.72 16.64 45.58 84.57 16.50 44.62 83.39 2 0 19.94-999 ?-999 ?-999 ? ZN ZN A 201 mSER.A 90 14.44 45.45 85.55 14.23 45.91 84.69 13.30 43.60 86.72 13.07 43.10 87.83 13.45 45.11 86.56 12.10 45.72 86.16 2 0 22.73-999 ?-999 ?-999 ? ZN ZN A 201 mASP.A 91 13.47 42.87 85.63 13.70 43.40 84.81 14.63 40.68 85.43 14.62 39.50 85.09 13.32 41.42 85.64 12.32 41.01 84.56 2 0 24.86-999 ?-999 ?-999 ? ZN ZN A 201 mSER.A 92 15.75 41.37 85.61 15.63 42.32 85.90 18.23 41.46 85.98 18.29 42.69 86.00 17.03 40.73 85.40 17.28 40.52 83.91 2 0 22.47-999 ?-999 ?-999 ? ZN ZN A 201 mPRO.A 93 19.21 40.70 86.48 19.05 39.72 86.44 21.29 41.74 85.86 20.99 41.46 84.71 20.41 41.32 87.04 21.04 40.18 87.83 3 0 19.59-999 ?-999 ?-999 ? ZN ZN A 201 mILE^A 94 22.39 42.41 86.17 22.52 42.60 87.14 24.73 42.76 85.67 24.99 43.13 86.81 23.31 42.84 85.13 22.99 44.28 84.64 3 0 16.74-999 ?-999 ?-999 ? ZN ZN A 201 mGLY^A 95 25.64 42.24 84.84 25.28 41.96 83.95 27.87 42.92 84.24 27.68 42.81 83.02 27.04 42.11 85.21-999.99-999.99-999.99 1 0 15.44-999 ?-999 ?-999 ? ZN ZN A 201 mPHE^A 96 28.78 43.74 84.76 28.88 43.69 85.75 30.97 44.96 84.37 31.30 44.79 85.54 29.57 44.61 83.89 28.82 45.92 83.67 3 0 12.55-999 ?-999 ?-999 ? ZN ZN A 201 mLEU^A 97 31.76 45.47 83.43 31.32 45.53 82.54 33.20 47.41 83.48 32.56 47.96 82.59 33.12 45.90 83.67 34.07 45.24 82.67 3 0 10.82-999 ?-999 ?-999 ? ZN ZN A 201 mCYH^A 98 33.99 48.06 84.33 34.42 47.46 85.01 35.73 49.72 84.22 36.42 49.53 85.22 34.22 49.50 84.28 33.71 50.20 85.53 2 0 7.32-999 ?-999 ?-999 ? ZN ZN A 201 mILE^A 99 36.22 50.09 83.04 35.53 50.18 82.32 37.85 51.84 82.93 37.29 52.62 82.15 37.63 50.34 82.84 38.09 49.84 81.47 3 0 8.50-999 ?-999 ?-999 ? ZN ZN A 201 mGLN^A 100 38.66 52.24 83.89 39.04 51.50 84.44 40.39 53.93 83.64 41.35 53.29 84.08 38.97 53.64 84.13 38.83 53.90 85.63 2 0 6.98-999 ?-999 ?-999 ? ZN ZN A 201 mVAL^A 101 40.52 54.89 82.72 39.66 55.31 82.45 41.89 56.79 81.98 40.86 57.44 81.72 41.82 55.28 82.18 42.10 54.59 80.81 3 0 10.05-999 ?-999 ?-999 ? ZN ZN A 201 mLYS^A 102 43.08 57.36 82.11 43.83 56.73 82.32 42.95 59.17 80.48 43.61 58.69 79.56 43.24 58.79 81.93 44.66 59.24 82.31 2 0 11.71-999 ?-999 ?-999 ? ZN ZN A 201 mALA.A 103 41.95 60.03 80.30 41.51 60.34 81.14 42.68 61.12 78.22 43.42 61.93 78.79 41.53 60.47 78.98 40.35 61.44 79.10 2 0 12.67-999 ?-999 ?-999 ? ZN ZN A 201 mGLY.A 104 42.83 60.76 76.95 42.17 60.07 76.63 45.28 60.87 76.40 46.24 61.38 75.82 43.87 61.32 76.10-999.99-999.99-999.99 1 0 16.44-999 ?-999 ?-999 ? ZN ZN A 201 mSER.A 105 45.43 59.89 77.30 44.58 59.54 77.68 47.34 58.39 76.69 48.56 58.21 76.63 46.76 59.41 77.67 46.73 58.80 79.07 2 0 17.00-999 ?-999 ?-999 ? ZN ZN A 201 mLEU.A 106 46.48 57.72 75.94 45.52 57.95 76.07 47.71 57.34 73.82 47.25 58.31 73.22 46.96 56.72 75.00 45.79 55.89 74.49 3 0 13.89-999 ?-999 ?-999 ? ZN ZN B 201 mGLU.A 107 48.85 56.76 73.48 49.12 56.00 74.07 49.65 56.13 71.31 48.64 55.89 70.64 49.64 57.23 72.36 51.06 57.58 72.81 2 0 14.01-999 ?-999 ?-999 ? ZN ZN B 201 mGLY.A 108 50.78 55.44 71.15 51.55 55.73 71.73 50.12 53.15 70.75 49.96 53.03 71.97 50.84 54.37 70.18-999.99-999.99-999.99 1 0 11.53-999 ?-999 ?-999 ? ZN ZN B 201 mTYR~A 109 49.67 52.26 69.88 49.83 52.50 68.93 48.93 50.04 69.19 48.88 50.41 68.01 48.99 51.05 70.32 47.58 51.38 70.83 3 0 8.21-999 ?-999 ?-999 ? ZN ZN B 201 mTHR~A 110 48.94 48.77 69.55 48.98 48.63 70.54 50.05 47.85 67.58 51.22 47.66 67.93 48.90 47.67 68.58 47.55 47.64 67.84 2 0 6.13-999 ?-999 ?-999 ? ZN ZN B 201 mMETA 111 49.72 48.21 66.34 48.74 48.32 66.20 51.82 49.40 65.71 52.99 49.22 65.37 50.72 48.42 65.31 50.06 48.92 64.02 2 0 9.20-999 ?-999 ?-999 ? ZN ZN B 201 mTHR~A 112 51.44 50.45 66.43 50.46 50.49 66.66 52.96 51.29 68.25 53.46 52.25 68.83 52.41 51.44 66.83 51.85 52.87 66.64 2 0 10.58-999 ?-999 ?-999 ? ZN ZN B 201 mASP.A 113 52.85 50.09 68.82 52.38 49.40 68.26 53.78 48.38 70.41 54.61 48.11 71.27 53.38 49.83 70.16 52.40 50.27 71.26 2 0 8.15-999 ?-999 ?-999 ? ZN ZN B 201 mGLY^A 114 53.18 47.46 69.68 52.50 47.79 69.03 54.84 45.72 69.16 55.18 46.32 68.14 53.53 46.06 69.86-999.99-999.99-999.99 1 0 5.80-999 ?-999 ?-999 ? ZN ZN B 201 mVAL^A 115 55.59 44.78 69.72 55.20 44.39 70.56 56.88 42.84 69.00 56.82 42.11 70.00 56.86 44.36 69.14 58.05 44.80 70.02 3 0 8.38-999 ?-999 ?-999 ? ZN ZN B 201 mVAL^A 116 56.96 42.37 67.76 57.00 43.08 67.06 58.37 40.37 67.78 59.38 41.01 67.48 56.99 40.94 67.48 56.65 40.66 66.00 3 0 9.54-999 ?-999 ?-999 ? ZN ZN B 201 mGLN.A 117 58.43 39.18 68.35 57.54 38.76 68.55 60.22 37.70 67.49 59.63 37.71 66.41 59.72 38.57 68.65 59.63 37.76 69.94 2 0 12.05-999 ?-999 ?-999 ? ZN ZN B 201 mLEU.A 118 61.30 36.97 67.71 61.70 37.07 68.63 61.96 34.66 67.17 61.67 34.43 68.37 61.84 36.09 66.67 63.22 36.58 66.22 3 0 15.59-999 ?-999 ?-999 ? ZN ZN B 201 mMETB 1 26.15 67.57 70.89 25.55 68.37 70.82 26.66 65.49 72.16 25.71 65.79 72.90 27.04 66.38 70.98 28.51 66.82 71.11 2 0 20.58-999 ?-999 ?-999 ? ZN ZN A 201 mLYS.B 2 27.38 64.39 72.33 28.12 64.27 71.66 28.38 63.15 74.19 29.48 63.17 73.64 27.11 63.47 73.42 26.51 62.17 72.87 2 0 17.19-999 ?-999 ?-999 ? ZN ZN A 201 mASN.B 3 28.22 62.85 75.47 27.28 62.87 75.79 29.61 61.00 76.31 30.29 60.49 77.20 29.36 62.51 76.30 29.15 63.00 77.73 2 0 13.63-999 ?-999 ?-999 ? ZN ZN A 201 mTYR^B 4 29.06 60.29 75.33 28.53 60.83 74.67 29.00 58.31 73.86 28.44 58.99 73.00 29.23 58.85 75.27 28.24 58.16 76.22 3 0 13.30-999 ?-999 ?-999 ? ZN ZN A 201 mGLN^B 5 29.45 57.07 73.65 29.91 56.68 74.44 29.00 54.90 72.79 29.57 54.39 73.76 29.28 56.34 72.39 30.55 56.40 71.53 2 0 15.73-999 ?-999 ?-999 ? ZN ZN A 201 mLYS^B 6 28.14 54.24 72.03 27.77 54.77 71.26 27.76 52.00 71.07 27.59 52.50 69.96 27.76 52.87 72.32 26.36 52.84 72.95 2 0 16.55-999 ?-999 ?-999 ? ZN ZN A 201 mMETB 7 27.95 50.71 71.27 28.10 50.45 72.22 27.66 48.37 70.75 27.86 48.13 71.94 27.93 49.75 70.17 29.26 49.75 69.42 2 0 19.27-999 ?-999 ?-999 ? ZN ZN A 201 mSER^B 8 27.21 47.46 69.90 27.09 47.78 68.96 27.85 45.14 69.63 28.15 45.31 68.45 26.93 46.10 70.34 25.48 45.74 70.06 2 0 20.88-999 ?-999 ?-999 ? ZN ZN A 201 mVAL.B 9 28.31 44.12 70.35 27.98 44.11 71.30 28.58 41.74 69.91 28.12 41.35 70.98 29.20 43.12 69.80 30.55 43.12 70.55 3 0 20.41-999 ?-999 ?-999 ? ZN ZN B 201 mALA.B 10 28.56 41.01 68.80 28.95 41.46 68.00 28.78 38.78 69.77 29.95 39.04 70.06 28.01 39.65 68.78 28.10 39.06 67.37 2 0 22.05-999 ?-999 ?-999 ? ZN ZN B 201 mGLN.B 11 28.13 37.73 70.27 27.20 37.64 69.93 30.10 36.26 70.85 31.00 36.13 71.69 28.73 36.81 71.24 27.77 35.64 71.51 2 0 21.69-999 ?-999 ?-999 ? ZN ZN B 201 mASP.B 12 30.26 35.94 69.57 29.46 36.10 68.99 32.17 36.27 68.03 32.78 35.76 67.08 31.52 35.39 69.09 31.31 33.97 68.54 2 0 19.86-999 ?-999 ?-999 ? ZN ZN B 201 mALA.B 13 32.06 37.58 68.18 31.54 37.87 68.98 34.02 38.97 67.70 34.23 39.17 68.89 32.66 38.49 67.21 31.74 39.69 66.96 2 0 18.26-999 ?-999 ?-999 ? ZN ZN B 201 mARG.B 14 34.94 39.15 66.75 34.62 38.94 65.83 36.40 41.05 66.53 36.33 41.29 65.33 36.29 39.62 67.04 37.32 38.74 66.32 2 0 14.75-999 ?-999 ?-999 ? ZN ZN B 201 mVAL^B 15 36.57 41.99 67.46 36.62 41.65 68.40 37.54 44.18 68.04 37.86 43.72 69.13 36.67 43.39 67.08 35.27 44.05 67.05 3 0 13.95-999 ?-999 ?-999 ? ZN ZN B 201 mGLU^B 16 37.91 45.38 67.60 37.60 45.58 66.68 37.79 47.50 68.60 37.08 47.91 67.69 38.71 46.30 68.40 39.97 46.71 67.63 2 0 11.96-999 ?-999 ?-999 ? ZN ZN B 201 mLEU~B 17 37.82 48.06 69.80 38.48 47.66 70.44 37.51 50.59 70.00 36.75 51.55 69.93 36.96 49.18 70.14 36.45 48.99 71.58 3 0 14.04-999 ?-999 ?-999 ? ZN ZN B 201 mHIS~B 18 38.83 50.74 69.92 39.36 49.90 69.93 38.77 53.01 68.80 38.23 54.05 69.16 39.40 52.09 69.84 40.91 52.03 69.61 3 0 13.68-999 ?-999 ?-999 ? ZN ZN B 201 mASP~B 19 38.82 52.64 67.53 39.26 51.76 67.34 36.71 53.57 66.51 36.14 54.64 66.33 38.24 53.50 66.51 38.74 53.09 65.11 2 0 16.41-999 ?-999 ?-999 ? ZN ZN B 201 mSER~B 20 36.06 52.44 66.73 36.64 51.64 66.87 33.97 53.21 67.88 32.86 53.76 67.72 34.59 52.40 66.74 34.10 50.95 66.82 2 0 18.43-999 ?-999 ?-999 ? ZN ZN B 201 mLEU~B 21 34.65 53.30 69.02 35.52 52.81 69.02 34.90 55.35 70.37 34.59 56.12 71.27 34.12 54.06 70.15 34.17 53.22 71.43 3 0 17.55-999 ?-999 ?-999 ? ZN ZN A 201 mALA~B 22 35.90 55.58 69.53 36.02 54.88 68.83 37.38 56.86 71.02 37.32 57.90 71.67 36.75 56.76 69.63 35.93 58.04 69.34 2 0 18.27-999 ?-999 ?-999 ? ZN ZN A 201 mLEU.B 23 37.98 55.76 71.47 37.94 54.97 70.86 39.86 56.64 72.74 40.47 56.82 71.70 38.63 55.74 72.78 39.05 54.31 73.14 3 0 15.70-999 ?-999 ?-999 ? ZN ZN A 201 mTHR.B 24 40.22 57.23 73.88 39.63 57.02 74.66 42.35 57.65 75.04 43.47 58.13 75.13 41.39 58.09 73.93 41.01 59.56 74.20 2 0 15.96-999 ?-999 ?-999 ? ZN ZN A 201 mGLY.B 25 41.89 56.72 75.87 40.97 56.39 75.69 43.12 54.80 76.89 43.88 54.31 77.73 42.73 56.26 76.97-999.99-999.99-999.99 1 0 14.15-999 ?-999 ?-999 ? ZN ZN A 201 mALA.B 26 42.62 54.10 75.89 42.02 54.61 75.26 42.47 52.11 74.44 41.83 52.77 73.63 42.94 52.69 75.75 42.29 51.92 76.89 2 0 11.84-999 ?-999 ?-999 ? ZN ZN B 201 mGLU^B 27 42.83 50.85 74.23 43.44 50.48 74.94 41.88 48.84 73.75 42.51 48.33 74.68 42.39 50.09 73.08 43.54 49.76 72.12 2 0 9.81-999 ?-999 ?-999 ? ZN ZN B 201 mVAL^B 28 40.73 48.35 73.30 40.32 48.88 72.56 39.84 46.19 72.72 39.11 46.53 71.79 40.14 47.15 73.86 38.82 47.43 74.59 3 0 10.11-999 ?-999 ?-999 ? ZN ZN B 201 mSER^B 29 40.41 45.00 72.78 41.00 44.84 73.57 39.45 42.80 72.34 39.83 42.29 73.39 40.15 44.02 71.75 41.46 43.61 71.06 2 0 9.33-999 ?-999 ?-999 ? ZN ZN B 201 mILE^B 30 38.40 42.37 71.66 38.18 42.90 70.84 37.97 40.11 71.09 37.79 40.28 69.89 37.63 41.21 72.09 36.13 41.50 72.03 3 0 11.96-999 ?-999 ?-999 ? ZN ZN B 201 mASN^B 31 38.45 38.98 71.58 38.54 38.94 72.58 38.56 36.54 71.30 38.19 36.43 72.47 38.82 37.90 70.68 40.31 38.05 70.29 2 0 12.03-999 ?-999 ?-999 ? ZN ZN B 201 mHIS^B 32 38.71 35.50 70.50 38.95 35.74 69.55 39.13 33.17 69.97 39.12 33.41 68.75 38.54 34.14 70.97 37.07 33.83 71.26 3 0 14.27-999 ?-999 ?-999 ? ZN ZN B 201 mLEU^B 33 39.70 32.10 70.50 39.64 32.04 71.49 39.64 29.77 69.81 39.23 29.40 70.91 40.35 31.11 69.67 41.81 30.97 70.10 3 0 15.44-999 ?-999 ?-999 ? ZN ZN B 201 mPRO.B 34 39.48 29.05 68.69 39.84 29.46 67.86 39.78 26.76 69.42 40.99 27.03 69.52 38.82 27.74 68.76 38.58 27.41 67.30 3 0 19.18-999 ?-999 ?-999 ? ZN ZN B 201 mALA.B 35 39.26 25.63 69.88 38.27 25.54 69.73 41.31 24.27 69.72 41.24 24.13 68.50 40.07 24.61 70.54 39.24 23.37 70.78 2 0 20.94-999 ?-999 ?-999 ? ZN ZN B 201 mGLY.B 36 42.45 24.15 70.41 42.38 24.31 71.39 44.37 24.90 68.93 45.40 24.67 68.30 43.69 23.79 69.73-999.99-999.99-999.99 1 0 20.48-999 ?-999 ?-999 ? ZN ZN B 201 mALA.B 37 43.80 26.09 68.96 42.96 26.16 69.51 45.02 28.22 69.17 44.82 28.17 70.39 44.39 27.20 68.22 43.33 27.88 67.36 2 0 17.39-999 ?-999 ?-999 ? ZN ZN B 201 mGLY.B 38 45.79 29.15 68.61 45.88 29.08 67.62 47.06 31.25 68.57 47.22 31.07 67.36 46.43 30.16 69.43-999.99-999.99-999.99 1 0 13.81-999 ?-999 ?-999 ? ZN ZN B 201 mVAL.B 39 47.42 32.36 69.20 47.21 32.39 70.17 49.33 32.88 67.89 50.15 32.33 68.62 48.05 33.45 68.47 48.37 34.64 69.41 3 0 10.77-999 ?-999 ?-999 ? ZN ZN B 201 mPRO.B 40 49.51 32.97 66.57 48.75 33.44 66.10 52.01 33.17 66.09 53.01 32.86 65.43 50.68 32.46 65.86 50.24 32.50 64.39 3 0 12.87-999 ?-999 ?-999 ? ZN ZN B 201 mPHE.B 41 52.06 34.12 67.01 51.20 34.29 67.50 53.42 35.30 68.70 52.45 35.29 69.44 53.31 34.83 67.26 53.43 36.02 66.29 3 0 10.79-999 ?-999 ?-999 ? ZN ZN B 201 mVAL.B 42 54.63 35.70 69.08 55.32 35.63 68.36 55.20 37.68 70.33 55.81 38.14 69.37 54.92 36.19 70.41 56.18 35.50 71.00 3 0 9.26-999 ?-999 ?-999 ? ZN ZN B 201 mHIS^B 43 54.75 38.44 71.32 54.23 37.98 72.04 55.08 40.53 72.64 54.60 40.01 73.64 55.02 39.87 71.28 53.98 40.60 70.42 3 0 -6.72-999 ?-999 ?-999 ? ZN ZN B 201s mSER^B 44 55.72 41.70 72.64 56.09 41.96 71.76 55.39 43.90 73.41 54.94 44.09 72.28 55.84 42.51 73.83 57.30 42.52 74.32 2 0 6.57-999 ?-999 ?-999 ? ZN ZN B 201 mHIS^B 45 55.52 44.86 74.31 55.93 44.56 75.17 56.19 47.23 74.42 56.99 46.98 75.31 55.11 46.23 74.04 53.82 46.54 74.81 3 0 -6.58-999 ?-999 ?-999 ? ZN ZN B 201s mLYS.B 46 56.19 48.37 73.73 55.47 48.45 73.04 56.82 50.21 75.24 57.68 50.44 76.09 57.17 49.40 74.01 57.32 50.34 72.80 2 0 10.01-999 ?-999 ?-999 ? ZN ZN B 201 mGLN.B 47 55.57 50.64 75.36 54.96 50.38 74.61 53.78 51.14 77.06 53.36 51.74 78.05 55.17 51.43 76.51 55.28 52.92 76.17 2 0 10.71-999 ?-999 ?-999 ? ZN ZN B 201 mASN^B 48 53.06 50.22 76.43 53.50 49.80 75.64 51.63 48.68 77.82 52.16 47.61 77.53 51.72 49.89 76.90 50.76 49.65 75.72 2 0 8.17-999 ?-999 ?-999 ? ZN ZN B 201 mGLU^B 49 50.93 48.88 78.93 50.61 49.82 79.04 49.49 47.10 79.27 48.69 47.70 78.56 50.67 47.83 79.89 50.28 48.45 81.24 2 0 8.57-999 ?-999 ?-999 ? ZN ZN B 201 mGLU^B 50 49.37 45.81 79.51 50.08 45.41 80.09 47.54 44.28 80.03 48.17 43.66 80.90 48.26 45.06 78.94 48.79 44.14 77.83 2 0 -6.53-999 ?-999 ?-999 ? ZN ZN B 201s mILE^B 51 46.21 44.35 80.00 45.84 44.90 79.25 44.53 42.63 80.24 43.78 42.96 79.32 45.38 43.66 80.98 44.46 44.65 81.70 3 0 9.14-999 ?-999 ?-999 ? ZN ZN B 201 mTYR^B 52 44.66 41.37 80.64 45.31 41.23 81.39 42.79 39.82 80.93 42.98 39.66 82.14 43.90 40.31 80.01 44.82 39.14 79.64 3 0 9.54-999 ?-999 ?-999 ? ZN ZN B 201 mGLY^B 53 41.62 39.61 80.35 41.59 39.82 79.38 39.90 37.96 80.34 39.47 38.14 79.19 40.49 39.11 81.11-999.99-999.99-999.99 1 0 12.87-999 ?-999 ?-999 ? ZN ZN B 201 mILE^B 54 39.88 36.76 80.92 40.29 36.74 81.84 37.82 35.58 80.53 37.40 35.41 81.67 39.31 35.61 80.24 39.97 34.29 80.70 3 0 14.68-999 ?-999 ?-999 ? ZN ZN B 201 mLEU^B 55 37.03 35.77 79.48 37.52 35.90 78.62 34.94 34.42 79.56 33.90 34.19 80.17 35.58 35.79 79.61 34.97 36.68 78.52 3 0 17.11-999 ?-999 ?-999 ? ZN ZN B 201 mSER^B 56 35.55 33.50 78.82 36.40 33.79 78.39 36.00 31.12 78.29 37.11 31.44 77.86 34.98 32.17 78.70 33.85 32.19 77.68 2 0 19.11-999 ?-999 ?-999 ? ZN ZN B 201 mGLY^B 57 35.60 29.86 78.43 34.68 29.74 78.80 37.69 28.63 78.94 37.69 29.01 80.11 36.47 28.77 78.06-999.99-999.99-999.99 1 0 20.10-999 ?-999 ?-999 ? ZN ZN B 201 mLYS^B 58 38.76 28.09 78.36 38.63 27.85 77.40 41.14 27.74 78.11 40.93 27.50 76.93 39.99 27.88 79.09 39.87 26.63 79.97 2 0 19.07-999 ?-999 ?-999 ? ZN ZN B 201 mGLY^B 59 42.36 27.89 78.62 42.40 28.07 79.60 44.82 28.05 78.51 44.94 27.76 79.70 43.53 27.77 77.77-999.99-999.99-999.99 1 0 17.27-999 ?-999 ?-999 ? ZN ZN B 201 mPHE^B 60 45.78 28.62 77.81 45.54 28.82 76.86 47.65 30.20 77.80 47.24 30.65 76.73 47.08 28.92 78.39 48.07 27.79 78.07 3 0 15.54-999 ?-999 ?-999 ? ZN ZN B 201 mILE^B 61 48.59 30.80 78.52 48.77 30.37 79.40 50.73 31.80 78.44 51.02 31.52 79.60 49.27 31.97 78.01 48.69 33.30 78.56 3 0 12.41-999 ?-999 ?-999 ? ZN ZN B 201 mTHR^B 62 51.63 31.93 77.48 51.27 32.12 76.57 53.65 33.18 77.92 53.59 33.99 76.99 53.05 31.79 77.79 53.80 31.00 76.70 2 0 13.01-999 ?-999 ?-999 ? ZN ZN B 201 mILE^B 63 54.22 33.46 79.09 54.18 32.72 79.76 56.31 34.54 79.69 56.63 33.93 80.71 54.84 34.75 79.34 54.12 35.49 80.50 3 0 12.02-999 ?-999 ?-999 ? ZN ZN B 201 mASP.B 64 57.19 35.03 78.83 56.78 35.50 78.05 59.03 33.42 79.30 59.72 33.13 80.29 58.63 34.88 79.03 59.10 35.78 80.18 2 0 13.93-999 ?-999 ?-999 ? ZN ZN B 201 mGLY.B 65 58.60 32.50 78.43 58.03 32.87 77.69 58.10 30.31 79.58 58.14 29.08 79.60 58.94 31.09 78.58-999.99-999.99-999.99 1 0 16.49-999 ?-999 ?-999 ? ZN ZN B 201 mGLU^B 66 57.35 31.01 80.42 57.40 32.00 80.31 55.06 30.28 80.96 54.45 31.32 80.70 56.52 30.33 81.41 56.62 31.05 82.75 2 0 17.07-999 ?-999 ?-999 ? ZN ZN B 201 mLYS^B 67 54.49 29.09 80.89 55.06 28.31 81.13 52.16 28.90 81.66 52.35 28.07 82.56 53.10 29.00 80.47 52.88 27.84 79.49 2 0 16.59-999 ?-999 ?-999 ? ZN ZN B 201 mILE^B 68 51.16 29.77 81.67 51.14 30.38 80.88 48.84 29.34 82.29 48.36 29.73 81.23 50.20 29.84 82.76 50.03 31.28 83.24 3 0 16.72-999 ?-999 ?-999 ? ZN ZN B 201 mGLU^B 69 48.22 28.49 83.09 48.72 28.25 83.93 45.88 29.08 82.94 45.97 29.88 83.86 46.90 27.97 82.75 46.55 26.77 83.62 2 0 18.39-999 ?-999 ?-999 ? ZN ZN B 201 mLEU^B 70 44.88 29.10 82.06 44.93 28.38 81.37 42.44 29.50 82.06 42.22 28.46 81.43 43.84 30.11 82.10 43.97 31.06 80.91 3 0 17.03-999 ?-999 ?-999 ? ZN ZN B 201 mGLN^B 71 41.50 30.16 82.72 41.84 30.96 83.22 39.24 30.97 82.94 39.72 32.00 83.41 40.11 29.74 82.72 39.83 28.71 83.81 2 0 19.16-999 ?-999 ?-999 ? ZN ZN B 201 mALA.B 72 37.96 30.86 82.58 37.72 29.97 82.19 37.19 32.56 84.15 37.29 31.83 85.14 37.03 31.96 82.75 35.60 31.46 82.55 2 0 19.48-999 ?-999 ?-999 ? ZN ZN B 201 mGLY.B 73 37.23 33.88 84.23 37.16 34.37 83.36 38.80 34.97 85.85 39.01 35.71 86.81 37.38 34.53 85.52-999.99-999.99-999.99 1 0 19.56-999 ?-999 ?-999 ? ZN ZN B 201 mASP^B 74 39.77 34.50 85.07 39.46 33.89 84.33 41.50 36.24 84.71 41.08 36.57 83.61 41.17 34.87 85.30 42.11 33.82 84.68 2 0 17.16-999 ?-999 ?-999 ? ZN ZN B 201 mTRP^B 75 42.25 37.04 85.47 42.51 36.64 86.35 44.15 38.53 85.24 44.69 38.13 86.27 42.66 38.37 85.03 41.91 39.45 85.81 3 0 14.80-999 ?-999 ?-999 ? ZN ZN B 201 mLEU^B 76 44.83 39.13 84.26 44.27 39.43 83.48 46.74 40.67 83.90 46.13 41.32 83.06 46.27 39.31 84.35 46.99 38.28 83.48 3 0 12.61-999 ?-999 ?-999 ? ZN ZN B 201 mARG^B 77 47.85 41.10 84.49 48.20 40.50 85.21 49.79 41.88 83.51 50.42 40.97 84.03 48.48 42.35 84.13 48.81 43.22 85.34 2 0 11.42-999 ?-999 ?-999 ? ZN ZN B 201 mILE^B 78 50.18 42.47 82.39 49.55 43.17 82.03 52.23 43.37 81.53 51.74 44.29 80.86 51.44 42.10 81.79 51.24 41.33 80.48 3 0 9.31-999 ?-999 ?-999 ? ZN ZN B 201 mALA.B 79 53.43 43.43 82.08 53.69 42.63 82.63 54.73 44.61 80.42 54.75 43.57 79.76 54.28 44.60 81.88 55.50 44.54 82.82 2 0 10.42-999 ?-999 ?-999 ? ZN ZN B 201 mPRO.B 80 55.09 45.79 79.91 55.02 46.54 80.57 56.59 44.98 78.05 56.45 44.43 76.95 55.55 45.99 78.54 56.10 47.40 78.56 3 0 8.87-999 ?-999 ?-999 ? ZN ZN B 201 mASP.B 81 57.63 44.75 78.85 57.60 45.25 79.71 58.29 42.37 78.39 58.99 41.56 77.77 58.70 43.83 78.48 59.88 43.95 79.46 2 0 10.93-999 ?-999 ?-999 ? ZN ZN B 201 mGLY.B 82 57.17 42.01 79.01 56.68 42.74 79.49 56.47 40.12 77.54 55.76 40.78 76.78 56.74 40.62 78.96-999.99-999.99-999.99 1 0 9.94-999 ?-999 ?-999 ? ZN ZN B 201 mLYS.B 83 57.06 38.98 77.20 57.64 38.59 77.91 55.69 37.40 76.09 55.80 36.42 76.84 56.85 38.36 75.89 58.11 37.59 75.45 2 0 9.43-999 ?-999 ?-999 ? ZN ZN B 201 mARG^B 84 54.58 37.66 75.41 54.65 38.44 74.79 52.83 36.19 74.34 53.08 36.61 73.21 53.37 36.86 75.59 52.28 37.76 76.17 2 0 8.01-999 ?-999 ?-999 ? ZN ZN B 201 mGLN^B 85 52.05 35.14 74.56 51.93 34.92 75.53 50.33 33.51 74.13 50.62 32.59 74.89 51.42 34.38 73.50 52.44 33.50 72.77 2 0 9.11-999 ?-999 ?-999 ? ZN ZN B 201 mILE^B 86 49.08 33.82 73.82 48.98 34.59 73.19 47.45 32.03 73.40 47.65 32.16 72.19 47.96 33.08 74.38 46.79 34.04 74.76 3 0 10.37-999 ?-999 ?-999 ? ZN ZN B 201 mSER^B 87 46.82 30.99 73.92 46.76 31.00 74.92 45.12 29.26 73.83 45.03 29.34 75.05 46.27 29.93 73.09 47.34 28.90 72.73 2 0 13.66-999 ?-999 ?-999 ? ZN ZN B 201 mALA^B 88 44.24 28.61 73.07 44.44 28.63 72.09 43.53 26.56 74.15 44.63 26.11 73.86 43.10 27.93 73.66 42.00 27.78 72.61 2 0 16.56-999 ?-999 ?-999 ? ZN ZN B 201 mALA.B 89 42.66 25.91 74.92 41.81 26.40 75.10 42.77 23.62 74.26 42.14 23.94 73.25 42.96 24.59 75.42 42.04 24.23 76.57 2 0 19.89-999 ?-999 ?-999 ? ZN ZN B 201 mSER.B 90 43.33 22.43 74.42 43.80 22.31 75.29 41.80 20.92 73.20 41.40 20.57 72.09 43.23 21.40 73.40 44.13 20.22 73.79 2 0 22.69-999 ?-999 ?-999 ? ZN ZN B 201 mASP.B 91 41.03 20.91 74.28 41.47 21.26 75.10 38.64 21.56 74.47 37.47 21.30 74.79 39.65 20.44 74.24 39.46 19.36 75.30 2 0 24.83-999 ?-999 ?-999 ? ZN ZN B 201 mSER.B 92 39.06 22.81 74.31 40.02 22.90 74.03 38.61 25.26 73.97 39.80 25.57 73.96 38.15 23.92 74.53 37.89 24.09 76.03 2 0 22.41-999 ?-999 ?-999 ? ZN ZN B 201 mPRO.B 93 37.66 26.06 73.48 36.73 25.70 73.52 38.22 28.30 74.12 38.00 27.91 75.27 38.01 27.37 72.93 36.77 27.74 72.13 3 0 19.52-999 ?-999 ?-999 ? ZN ZN B 201 mILE^B 94 38.63 29.53 73.84 38.79 29.71 72.87 38.45 31.89 74.37 38.77 32.24 73.24 38.83 30.51 74.89 40.30 30.51 75.40 3 0 16.67-999 ?-999 ?-999 ? ZN ZN B 201 mGLY^B 95 37.73 32.65 75.20 37.52 32.22 76.07 37.90 34.96 75.84 37.80 34.75 77.05 37.30 33.99 74.84-999.99-999.99-999.99 1 0 15.36-999 ?-999 ?-999 ? ZN ZN B 201 mPHE^B 96 38.51 36.03 75.34 38.47 36.12 74.35 39.20 38.42 75.76 39.01 38.72 74.59 39.17 36.98 76.23 40.60 36.53 76.45 3 0 12.48-999 ?-999 ?-999 ? ZN ZN B 201 mLEU^B 97 39.50 39.29 76.72 39.62 38.87 77.61 41.08 41.13 76.69 41.76 40.61 77.58 39.63 40.73 76.49 38.78 41.51 77.49 3 0 10.74-999 ?-999 ?-999 ? ZN ZN B 201 mCYH^B 98 41.55 42.07 75.87 40.88 42.36 75.19 42.77 44.11 76.03 42.43 44.76 75.04 42.90 42.60 75.95 43.72 42.27 74.70 2 0 7.25-999 ?-999 ?-999 ? ZN ZN B 201 mILE^B 99 43.04 44.67 77.21 43.29 44.01 77.93 44.39 46.65 77.38 45.26 46.28 78.17 42.97 46.10 77.43 42.36 46.43 78.80 3 0 8.44-999 ?-999 ?-999 ? ZN ZN B 201 mGLN^B 100 44.60 47.53 76.42 43.80 47.74 75.85 45.87 49.59 76.71 45.03 50.39 76.28 45.90 48.14 76.21 46.22 48.08 74.72 2 0 6.94-999 ?-999 ?-999 ? ZN ZN B 201 mVAL^B 101 46.77 49.92 77.65 47.36 49.17 77.92 48.31 51.65 78.42 49.17 50.79 78.65 46.85 51.26 78.21 46.11 51.37 79.57 3 0 10.02-999 ?-999 ?-999 ? ZN ZN B 201 mLYS^B 102 48.61 52.94 78.33 47.83 53.54 78.13 50.39 53.17 79.97 49.77 53.70 80.89 49.97 53.40 78.52 50.10 54.89 78.16 2 0 11.70-999 ?-999 ?-999 ? ZN ZN B 201 mALA.B 103 51.44 52.38 80.16 51.84 52.03 79.31 52.33 53.33 82.27 52.94 54.24 81.71 51.95 52.07 81.49 53.16 51.15 81.37 2 0 12.67-999 ?-999 ?-999 ? ZN ZN B 201 mGLY.B 104 51.94 53.37 83.54 51.44 52.57 83.85 51.49 55.78 84.10 51.76 56.82 84.70 52.25 54.51 84.40-999.99-999.99-999.99 1 0 16.44-999 ?-999 ?-999 ? ZN ZN B 201 mSER.B 105 50.52 55.73 83.19 50.36 54.82 82.79 48.62 57.25 83.80 48.17 58.40 83.87 49.76 56.92 82.83 49.19 56.77 81.42 2 0 16.99-999 ?-999 ?-999 ? ZN ZN B 201 mLEU.B 106 48.14 56.26 84.53 48.58 55.37 84.39 47.47 57.33 86.67 48.51 57.10 87.28 47.05 56.49 85.47 46.49 55.16 85.96 3 0 13.84-999 ?-999 ?-999 ? ZN ZN A 201 mGLU.B 107 46.65 58.33 87.00 45.86 58.43 86.41 45.83 58.94 89.18 45.80 57.87 89.81 46.93 59.18 88.15 46.97 60.65 87.73 2 0 13.94-999 ?-999 ?-999 ? ZN ZN A 201 mGLY.B 108 44.94 59.90 89.35 45.07 60.73 88.81 42.83 58.74 89.70 42.77 58.58 88.48 43.85 59.70 90.30-999.99-999.99-999.99 1 0 11.44-999 ?-999 ?-999 ? ZN ZN A 201 mTYR~B 109 42.05 58.10 90.55 42.22 58.30 91.51 40.04 56.88 91.21 40.40 56.91 92.39 41.02 57.17 90.08 41.66 55.88 89.57 3 0 8.13-999 ?-999 ?-999 ? ZN ZN A 201 mTHR~B 110 38.79 56.62 90.83 38.65 56.64 89.84 37.63 57.46 92.81 37.19 58.56 92.47 37.72 56.33 91.79 37.99 54.97 92.51 2 0 6.06-999 ?-999 ?-999 ? ZN ZN A 201 mMETB 111 38.04 57.19 94.04 38.37 56.26 94.17 38.74 59.49 94.71 38.31 60.59 95.04 38.01 58.21 95.09 38.63 57.66 96.37 2 0 9.10-999 ?-999 ?-999 ? ZN ZN A 201 mTHR~B 112 39.86 59.36 94.01 40.12 58.42 93.79 40.37 61.05 92.20 41.20 61.78 91.64 40.63 60.53 93.62 42.13 60.30 93.82 2 0 10.48-999 ?-999 ?-999 ? ZN ZN A 201 mASP.B 113 39.23 60.68 91.61 38.66 60.05 92.15 37.36 61.25 90.01 36.92 62.04 89.18 38.87 61.17 90.27 39.53 60.33 89.18 2 0 8.02-999 ?-999 ?-999 ? ZN ZN A 201 mGLY^B 114 36.58 60.44 90.72 37.05 59.83 91.35 34.53 61.68 91.24 35.02 62.14 92.27 35.14 60.48 90.54-999.99-999.99-999.99 1 0 5.67-999 ?-999 ?-999 ? ZN ZN A 201 mVAL^B 115 33.44 62.20 90.67 33.16 61.75 89.83 31.27 63.03 91.38 30.59 62.80 90.38 32.75 63.35 91.26 32.93 64.62 90.39 3 0 8.25-999 ?-999 ?-999 ? ZN ZN A 201 mVAL^B 116 30.78 62.99 92.61 31.45 63.19 93.33 28.52 63.91 92.58 28.89 65.04 92.90 29.38 62.70 92.88 29.16 62.29 94.35 3 0 9.44-999 ?-999 ?-999 ? ZN ZN A 201 mGLN^B 117 27.36 63.67 91.99 27.18 62.70 91.80 25.29 64.80 92.64 24.59 63.81 92.83 26.45 64.75 91.65 25.92 64.54 90.23 2 0 11.89-999 ?-999 ?-999 ? ZN ZN A 201 mLEU.B 118 25.10 65.94 93.29 25.75 66.67 93.06 22.65 66.29 93.55 22.63 66.32 92.30 24.00 66.08 94.24 24.26 67.25 95.19 3 0 15.31-999 ?-999 ?-999 ? ZN ZN A 201 mMETC 1 31.26 18.69 56.85 30.80 17.81 56.80 31.55 20.91 55.78 31.05 20.44 54.75 31.96 20.01 56.93 33.48 19.81 56.93 2 0 20.38-999 ?-999 ?-999 ? ZN ZN D 201 mLYS.C 2 31.76 22.21 55.94 32.18 22.47 56.81 32.63 23.74 54.20 33.68 23.94 54.81 31.41 23.16 54.89 30.52 24.27 55.47 2 0 17.17-999 ?-999 ?-999 ? ZN ZN D 201 mASN.C 3 32.48 23.98 52.90 31.58 23.74 52.54 33.48 26.07 52.04 34.04 26.69 51.15 33.55 24.55 52.08 33.45 24.01 50.65 2 0 13.63-999 ?-999 ?-999 ? ZN ZN D 201 mTYR^C 4 32.79 26.66 53.01 32.38 26.04 53.68 32.31 28.61 54.47 31.92 27.83 55.34 32.65 28.11 53.06 31.55 28.58 52.10 3 0 13.26-999 ?-999 ?-999 ? ZN ZN D 201 mGLN^C 5 32.47 29.92 54.66 32.84 30.39 53.86 31.59 31.95 55.50 32.05 32.56 54.52 32.15 30.60 55.91 33.39 30.82 56.78 2 0 15.68-999 ?-999 ?-999 ? ZN ZN D 201 mLYS^C 6 30.59 32.42 56.23 30.34 31.84 57.00 29.74 34.55 57.17 29.66 34.05 58.28 29.94 33.69 55.93 28.58 33.42 55.28 2 0 16.48-999 ?-999 ?-999 ? ZN ZN D 201 mMETC 7 29.66 35.85 56.96 29.76 36.13 56.00 28.89 38.08 57.45 29.04 38.32 56.25 29.43 36.79 58.04 30.73 37.07 58.80 2 0 19.19-999 ?-999 ?-999 ? ZN ZN D 201 mSER^C 8 28.26 38.89 58.28 28.20 38.56 59.23 28.40 41.29 58.54 28.72 41.20 59.73 27.70 40.15 57.83 26.20 40.20 58.10 2 0 20.80-999 ?-999 ?-999 ? ZN ZN D 201 mVAL.C 9 28.63 42.37 57.81 28.31 42.31 56.86 28.40 44.76 58.23 27.88 45.04 57.15 29.30 43.54 58.35 30.62 43.81 57.61 3 0 20.40-999 ?-999 ?-999 ? ZN ZN C 201 mALA.C 10 28.22 45.48 59.33 28.70 45.13 60.14 27.98 47.69 58.34 29.18 47.67 58.06 27.40 46.69 59.33 27.35 47.30 60.74 2 0 22.05-999 ?-999 ?-999 ? ZN ZN C 201 mGLN.C 11 27.13 48.57 57.82 26.19 48.47 58.16 28.75 50.41 57.24 29.61 50.72 56.41 27.53 49.58 56.84 26.35 50.53 56.56 2 0 21.72-999 ?-999 ?-999 ? ZN ZN C 201 mASP.C 12 28.82 50.79 58.52 28.06 50.48 59.09 30.75 50.87 60.08 31.23 51.49 61.02 29.94 51.58 59.00 29.43 52.93 59.53 2 0 19.91-999 ?-999 ?-999 ? ZN ZN C 201 mALA.C 13 30.92 49.56 59.94 30.49 49.16 59.13 33.13 48.61 60.45 33.39 48.45 59.25 31.69 48.80 60.92 31.03 47.44 61.18 2 0 18.28-999 ?-999 ?-999 ? ZN ZN C 201 mARG.C 14 34.06 48.64 61.40 33.68 48.79 62.31 35.88 47.09 61.65 35.85 46.85 62.86 35.48 48.46 61.13 36.29 49.55 61.85 2 0 14.76-999 ?-999 ?-999 ? ZN ZN C 201 mVAL^C 15 36.24 46.20 60.74 36.23 46.53 59.79 37.66 44.25 60.18 37.90 44.77 59.09 36.63 44.85 61.13 35.39 43.91 61.15 3 0 13.92-999 ?-999 ?-999 ? ZN ZN C 201 mGLU^C 16 38.27 43.16 60.63 37.99 42.90 61.55 38.61 41.05 59.65 38.00 40.51 60.56 39.24 42.42 59.85 40.55 42.29 60.63 2 0 11.89-999 ?-999 ?-999 ? ZN ZN C 201 mLEU~C 17 38.76 40.50 58.45 39.31 41.04 57.81 38.99 37.96 58.28 38.43 36.87 58.35 38.15 39.22 58.12 37.62 39.28 56.68 3 0 13.96-999 ?-999 ?-999 ? ZN ZN C 201 mHIS~C 18 40.31 38.08 58.37 40.65 39.02 58.35 40.70 35.87 59.52 40.40 34.73 59.17 41.14 36.89 58.47 42.60 37.27 58.71 3 0 13.57-999 ?-999 ?-999 ? ZN ZN C 201 mASP~C 19 40.65 36.25 60.79 40.89 37.21 60.96 38.79 34.91 61.80 38.46 33.74 61.99 40.27 35.30 61.82 40.66 35.81 63.21 2 0 16.30-999 ?-999 ?-999 ? ZN ZN C 201 mSER~C 20 37.91 35.88 61.56 38.32 36.78 61.39 36.04 34.68 60.41 35.08 33.92 60.56 36.47 35.62 61.53 35.69 36.94 61.43 2 0 18.33-999 ?-999 ?-999 ? ZN ZN C 201 mLEU~C 21 36.73 34.73 59.28 37.49 35.39 59.28 37.41 32.77 57.94 37.27 31.93 57.05 36.39 33.87 58.14 36.28 34.69 56.85 3 0 17.47-999 ?-999 ?-999 ? ZN ZN D 201 mALA~C 22 38.44 32.76 58.79 38.41 33.49 59.47 40.16 31.80 57.32 40.34 30.76 56.69 39.51 31.77 58.70 38.97 30.35 59.00 2 0 18.20-999 ?-999 ?-999 ? ZN ZN D 201 mLEU.C 23 40.53 32.99 56.87 40.32 33.75 57.48 42.58 32.51 55.62 43.21 32.48 56.68 41.18 33.13 55.57 41.28 34.62 55.20 3 0 15.64-999 ?-999 ?-999 ? ZN ZN D 201 mTHR.C 24 43.05 31.99 54.50 42.44 32.05 53.71 45.22 32.01 53.35 46.42 31.78 53.28 44.38 31.39 54.46 44.32 29.86 54.21 2 0 15.92-999 ?-999 ?-999 ? ZN ZN D 201 mGLY.C 25 44.59 32.82 52.51 43.61 32.95 52.68 45.40 34.96 51.47 46.03 35.60 50.63 45.32 33.44 51.42-999.99-999.99-999.99 1 0 14.10-999 ?-999 ?-999 ? ZN ZN D 201 mALA.C 26 44.76 35.55 52.48 44.30 34.93 53.11 44.18 37.48 53.89 43.66 36.70 54.69 44.78 36.99 52.59 44.01 37.61 51.43 2 0 11.72-999 ?-999 ?-999 ? ZN ZN C 201 mGLU^C 27 44.29 38.78 54.10 44.83 39.25 53.40 42.92 40.56 54.54 43.43 41.18 53.60 43.68 39.44 55.23 44.72 40.02 56.21 2 0 9.70-999 ?-999 ?-999 ? ZN ZN C 201 mVAL^C 28 41.69 40.79 54.97 41.39 40.19 55.71 40.35 42.72 55.52 39.70 42.25 56.44 40.86 41.84 54.40 39.63 41.27 53.66 3 0 10.06-999 ?-999 ?-999 ? ZN ZN C 201 mSER^C 29 40.67 44.01 55.45 41.23 44.28 54.67 39.27 45.95 55.88 39.55 46.52 54.82 40.20 44.92 56.48 41.38 45.60 57.18 2 0 9.32-999 ?-999 ?-999 ? ZN ZN C 201 mILE^C 30 38.14 46.17 56.54 38.03 45.61 57.36 37.25 48.30 57.09 37.10 48.11 58.29 37.16 47.14 56.10 35.75 46.54 56.14 3 0 11.97-999 ?-999 ?-999 ? ZN ZN C 201 mASN^C 31 37.49 49.50 56.59 37.57 49.55 55.59 37.09 51.91 56.85 36.71 51.92 55.68 37.62 50.64 57.48 39.10 50.81 57.88 2 0 12.07-999 ?-999 ?-999 ? ZN ZN C 201 mHIS^C 32 37.02 52.97 57.64 37.30 52.80 58.58 36.93 55.33 58.15 36.92 55.12 59.37 36.57 54.26 57.15 35.06 54.24 56.84 3 0 14.35-999 ?-999 ?-999 ? ZN ZN C 201 mLEU^C 33 37.28 56.49 57.62 37.24 56.52 56.62 36.72 58.76 58.28 36.23 59.03 57.18 37.69 57.61 58.44 39.09 58.05 58.02 3 0 15.54-999 ?-999 ?-999 ? ZN ZN C 201 mPRO.C 34 36.41 59.45 59.38 36.84 59.14 60.23 36.23 61.74 58.63 37.47 61.73 58.56 35.49 60.59 59.30 35.17 60.88 60.76 3 0 19.27-999 ?-999 ?-999 ? ZN ZN C 201 mALA.C 35 35.48 62.73 58.14 34.50 62.60 58.26 37.22 64.49 58.31 37.11 64.62 59.53 36.08 63.88 57.49 35.01 64.94 57.23 2 0 21.04-999 ?-999 ?-999 ? ZN ZN C 201 mGLY.C 36 38.31 64.85 57.64 38.27 64.67 56.65 40.32 64.53 59.12 41.28 64.96 59.76 39.44 65.46 58.31-999.99-999.99-999.99 1 0 20.60-999 ?-999 ?-999 ? ZN ZN C 201 mALA.C 37 40.01 63.24 59.11 39.21 63.00 58.55 41.64 61.41 58.93 41.44 61.40 57.72 40.81 62.28 59.86 39.90 61.41 60.72 2 0 17.51-999 ?-999 ?-999 ? ZN ZN C 201 mGLY.C 38 42.59 60.68 59.51 42.67 60.78 60.50 44.27 58.88 59.58 44.38 59.10 60.79 43.43 59.80 58.71-999.99-999.99-999.99 1 0 13.93-999 ?-999 ?-999 ? ZN ZN C 201 mVAL.C 39 44.85 57.85 58.97 44.65 57.77 57.99 46.83 57.76 60.30 47.54 58.46 59.57 45.70 56.92 59.71 46.26 55.83 58.79 3 0 10.87-999 ?-999 ?-999 ? ZN ZN C 201 mPRO.C 40 47.01 57.71 61.62 46.37 57.10 62.09 49.49 58.05 62.12 50.39 58.59 62.78 48.05 58.47 62.33 47.62 58.35 63.79 3 0 12.96-999 ?-999 ?-999 ? ZN ZN C 201 mPHE.C 41 49.74 57.11 61.22 48.94 56.75 60.74 51.34 56.23 59.54 50.40 56.02 58.77 51.11 56.68 60.97 51.48 55.56 61.95 3 0 10.87-999 ?-999 ?-999 ? ZN ZN C 201 mVAL.C 42 52.61 56.09 59.18 53.27 56.30 59.91 53.58 54.27 57.96 54.27 53.96 58.93 53.00 55.67 57.85 54.10 56.60 57.26 3 0 9.35-999 ?-999 ?-999 ? ZN ZN C 201 mHIS^C 43 53.31 53.41 56.97 52.72 53.76 56.24 54.10 51.43 55.67 53.51 51.83 54.67 53.88 52.07 57.03 53.01 51.14 57.88 3 0 -6.79-999 ?-999 ?-999 ? ZN ZN C 201s mSER^C 44 54.95 50.42 55.68 55.37 50.24 56.57 55.11 48.20 54.92 54.72 47.92 56.06 55.26 49.65 54.49 56.68 49.94 54.01 2 0 6.60-999 ?-999 ?-999 ? ZN ZN C 201 mHIS^C 45 55.42 47.28 54.02 55.73 47.64 53.14 56.58 45.09 53.96 57.33 45.51 53.09 55.31 45.85 54.31 54.13 45.26 53.55 3 0 -6.53-999 ?-999 ?-999 ? ZN ZN C 201s mLYS.C 46 56.81 43.98 54.65 56.11 43.76 55.33 57.83 42.31 53.16 58.71 42.28 52.31 57.99 43.18 54.40 58.32 42.30 55.61 2 0 9.93-999 ?-999 ?-999 ? ZN ZN C 201 mGLN.C 47 56.70 41.62 53.05 56.05 41.74 53.79 55.08 40.76 51.33 54.81 40.08 50.33 56.49 40.76 51.89 56.90 39.33 52.24 2 0 10.63-999 ?-999 ?-999 ? ZN ZN C 201 mASN^C 48 54.17 41.51 51.95 54.50 42.02 52.74 52.46 42.70 50.53 52.76 43.87 50.82 52.80 41.56 51.46 51.80 41.60 52.63 2 0 8.08-999 ?-999 ?-999 ? ZN ZN C 201 mGLU^C 49 51.84 42.35 49.41 51.72 41.37 49.30 50.05 43.79 49.05 49.39 43.03 49.76 51.37 43.32 48.44 51.13 42.62 47.10 2 0 8.54-999 ?-999 ?-999 ? ZN ZN C 201 mGLU^C 50 49.67 45.03 48.80 50.28 45.56 48.21 47.56 46.13 48.25 48.05 46.86 47.38 48.43 45.53 49.35 48.75 46.54 50.46 2 0 -6.53-999 ?-999 ?-999 ? ZN ZN C 201s mILE^C 51 46.28 45.80 48.28 46.03 45.19 49.03 44.29 47.12 48.01 43.63 46.64 48.93 45.34 46.29 47.29 44.65 45.12 46.57 3 0 9.16-999 ?-999 ?-999 ? ZN ZN C 201 mTYR^C 52 44.16 48.37 47.60 44.77 48.63 46.85 42.00 49.50 47.28 42.17 49.70 46.08 43.18 49.26 48.21 43.83 50.59 48.58 3 0 9.60-999 ?-999 ?-999 ? ZN ZN C 201 mGLY^C 53 40.80 49.46 47.84 40.80 49.25 48.82 38.77 50.73 47.83 38.37 50.46 48.96 39.61 49.72 47.06-999.99-999.99-999.99 1 0 12.93-999 ?-999 ?-999 ? ZN ZN C 201 mILE^C 54 38.52 51.89 47.23 38.92 52.00 46.32 36.25 52.61 47.60 35.82 52.68 46.45 37.71 52.90 47.90 38.09 54.33 47.44 3 0 14.76-999 ?-999 ?-999 ? ZN ZN C 201 mLEU^C 55 35.50 52.27 48.64 35.98 52.27 49.52 33.17 53.15 48.54 32.11 53.14 47.92 34.09 51.95 48.50 33.67 50.96 49.60 3 0 17.19-999 ?-999 ?-999 ? ZN ZN C 201 mSER^C 56 33.57 54.19 49.26 34.46 54.09 49.71 33.51 56.61 49.78 34.66 56.53 50.22 32.74 55.37 49.37 31.63 55.12 50.39 2 0 19.20-999 ?-999 ?-999 ? ZN ZN C 201 mGLY^C 57 32.87 57.76 49.64 31.94 57.69 49.27 34.66 59.38 49.14 34.75 58.97 47.99 33.49 59.01 50.02-999.99-999.99-999.99 1 0 20.19-999 ?-999 ?-999 ? ZN ZN C 201 mLYS^C 58 35.58 60.15 49.71 35.39 60.39 50.67 37.84 60.99 49.97 37.58 61.19 51.15 36.75 60.60 48.99 36.38 61.80 48.10 2 0 19.19-999 ?-999 ?-999 ? ZN ZN C 201 mGLY^C 59 39.06 61.10 49.47 39.14 60.92 48.49 41.50 61.44 49.60 41.57 61.74 48.40 40.17 61.46 50.32-999.99-999.99-999.99 1 0 17.39-999 ?-999 ?-999 ? ZN ZN C 201 mPHE^C 60 42.56 61.10 50.31 42.36 60.86 51.27 44.71 59.95 50.35 44.39 59.44 51.43 43.89 61.08 49.74 44.63 62.38 50.05 3 0 15.68-999 ?-999 ?-999 ? ZN ZN C 201 mILE^C 61 45.76 59.55 49.65 45.86 59.99 48.76 48.05 59.02 49.75 48.27 59.39 48.60 46.67 58.55 50.17 46.40 57.12 49.62 3 0 12.55-999 ?-999 ?-999 ? ZN ZN C 201 mTHR^C 62 48.97 59.07 50.70 48.66 58.78 51.60 51.20 58.28 50.29 51.29 57.48 51.21 50.32 59.50 50.40 50.87 60.45 51.50 2 0 13.14-999 ?-999 ?-999 ? ZN ZN C 201 mILE^C 63 51.83 58.12 49.13 51.65 58.84 48.46 54.10 57.51 48.56 54.28 58.20 47.56 52.71 56.99 48.90 52.18 56.10 47.74 3 0 12.15-999 ?-999 ?-999 ? ZN ZN C 201 mASP.C 64 55.06 57.22 49.43 54.76 56.67 50.21 56.53 59.17 48.96 57.17 59.60 48.00 56.43 57.66 49.24 57.08 56.86 48.09 2 0 14.04-999 ?-999 ?-999 ? ZN ZN C 201 mGLY.C 65 55.90 59.97 49.81 55.41 59.49 50.55 54.96 62.01 48.66 54.71 63.22 48.66 55.94 61.41 49.66-999.99-999.99-999.99 1 0 16.60-999 ?-999 ?-999 ? ZN ZN C 201 mGLU^C 66 54.38 61.17 47.81 54.65 60.21 47.91 52.00 61.39 47.24 51.62 60.26 47.51 53.44 61.65 46.80 53.70 60.96 45.46 2 0 17.21-999 ?-999 ?-999 ? ZN ZN C 201 mLYS^C 67 51.19 62.44 47.30 51.59 63.33 47.06 48.89 62.12 46.50 48.91 62.95 45.59 49.81 62.24 47.71 49.35 63.34 48.66 2 0 16.73-999 ?-999 ?-999 ? ZN ZN C 201 mILE^C 68 48.09 61.06 46.50 48.18 60.48 47.31 45.74 61.00 45.86 45.34 60.53 46.93 47.17 60.79 45.41 47.31 59.33 44.94 3 0 16.84-999 ?-999 ?-999 ? ZN ZN C 201 mGLU^C 69 44.96 61.70 45.04 45.41 62.04 44.21 42.79 60.64 45.19 43.06 59.87 44.27 43.56 61.93 45.37 42.97 63.03 44.49 2 0 18.53-999 ?-999 ?-999 ? ZN ZN C 201 mLEU^C 70 41.81 60.42 46.06 41.69 61.14 46.74 39.50 59.52 46.05 39.07 60.49 46.68 40.99 59.22 46.02 41.33 58.33 47.22 3 0 17.16-999 ?-999 ?-999 ? ZN ZN C 201 mGLN^C 71 38.73 58.67 45.39 39.23 57.95 44.91 36.69 57.40 45.16 37.38 56.50 44.69 37.28 58.79 45.38 36.80 59.73 44.27 2 0 19.27-999 ?-999 ?-999 ? ZN ZN C 201 mALA.C 72 35.42 57.25 45.51 34.99 58.07 45.89 35.03 55.41 43.96 34.97 56.13 42.97 34.74 55.97 45.35 33.22 56.16 45.54 2 0 19.57-999 ?-999 ?-999 ? ZN ZN C 201 mGLY.C 73 35.35 54.12 43.89 35.37 53.64 44.77 37.11 53.38 42.29 37.48 52.69 41.34 35.63 53.50 42.61-999.99-999.99-999.99 1 0 19.63-999 ?-999 ?-999 ? ZN ZN C 201 mASP^C 74 37.97 54.03 43.08 37.53 54.56 43.81 40.03 52.70 43.47 39.69 52.32 44.58 39.41 53.97 42.85 40.11 55.20 43.45 2 0 17.25-999 ?-999 ?-999 ? ZN ZN C 201 mTRP^C 75 40.92 52.06 42.72 41.09 52.48 41.83 43.10 51.01 42.98 43.54 51.50 41.94 41.60 50.86 43.18 41.09 49.63 42.42 3 0 14.86-999 ?-999 ?-999 ? ZN ZN C 201 mLEU^C 76 43.87 50.59 43.97 43.39 50.21 44.76 46.05 49.46 44.33 45.58 48.71 45.17 45.32 50.70 43.88 45.83 51.86 44.73 3 0 12.69-999 ?-999 ?-999 ? ZN ZN C 201 mARG^C 77 47.23 49.27 43.76 47.46 49.94 43.05 49.29 48.92 44.78 49.72 49.94 44.25 48.11 48.19 44.15 48.62 47.40 42.94 2 0 11.46-999 ?-999 ?-999 ? ZN ZN C 201 mILE^C 78 49.79 48.42 45.89 49.34 47.61 46.25 51.97 47.99 46.78 51.68 46.99 47.43 50.94 49.07 46.51 50.57 49.78 47.81 3 0 9.36-999 ?-999 ?-999 ? ZN ZN C 201 mALA.C 79 53.17 48.19 46.26 53.28 49.03 45.73 54.67 47.30 47.92 54.47 48.33 48.58 54.23 47.22 46.47 55.42 47.51 45.54 2 0 10.43-999 ?-999 ?-999 ? ZN ZN C 201 mPRO.C 80 55.26 46.23 48.44 55.35 45.47 47.79 56.54 47.36 50.30 56.28 47.89 51.38 55.74 46.15 49.83 56.57 44.87 49.83 3 0 8.86-999 ?-999 ?-999 ? ZN ZN C 201 mASP.C 81 57.52 47.79 49.50 57.60 47.28 48.64 57.67 50.26 49.95 58.18 51.19 50.57 58.37 48.92 49.87 59.55 49.03 48.89 2 0 10.96-999 ?-999 ?-999 ? ZN ZN C 201 mGLY.C 82 56.50 50.38 49.33 56.18 49.56 48.85 55.41 52.09 50.78 54.84 51.31 51.56 55.79 51.64 49.38-999.99-999.99-999.99 1 0 10.00-999 ?-999 ?-999 ? ZN ZN C 201 mLYS.C 83 55.73 53.33 51.12 56.23 53.83 50.40 54.06 54.60 52.19 53.97 55.58 51.45 55.39 53.91 52.42 56.45 54.91 52.86 2 0 9.52-999 ?-999 ?-999 ? ZN ZN C 201 mARG^C 84 53.02 54.11 52.85 53.24 53.36 53.48 51.00 55.21 53.90 51.33 54.84 55.02 51.68 54.65 52.66 50.80 53.54 52.08 2 0 8.15-999 ?-999 ?-999 ? ZN ZN C 201 mGLN^C 85 50.02 56.06 53.66 49.87 56.25 52.69 47.99 57.29 54.08 48.09 58.26 53.32 49.23 56.68 54.72 50.05 57.75 55.45 2 0 9.24-999 ?-999 ?-999 ? ZN ZN C 201 mILE^C 86 46.83 56.73 54.37 46.89 55.95 54.99 44.85 58.14 54.77 45.05 58.06 55.98 45.58 57.22 53.80 44.65 56.04 53.41 3 0 10.51-999 ?-999 ?-999 ? ZN ZN C 201 mSER^C 87 44.03 59.03 54.23 43.99 59.01 53.23 42.00 60.37 54.29 41.93 60.27 53.07 43.26 59.96 55.04 44.08 61.20 55.40 2 0 13.79-999 ?-999 ?-999 ? ZN ZN C 201 mALA^C 88 41.00 60.82 55.04 41.19 60.83 56.02 39.88 62.67 53.91 40.87 63.35 54.17 39.74 61.25 54.44 38.64 61.20 55.49 2 0 16.69-999 ?-999 ?-999 ? ZN ZN C 201 mALA.C 89 38.90 63.12 53.16 38.15 62.47 52.99 38.53 65.40 53.78 37.96 64.96 54.78 38.94 64.47 52.63 37.97 64.63 51.47 2 0 20.02-999 ?-999 ?-999 ? ZN ZN C 201 mSER.C 90 38.83 66.68 53.62 39.29 66.89 52.76 37.01 67.85 54.81 36.53 68.12 55.91 38.52 67.67 54.63 39.15 69.00 54.24 2 0 22.82-999 ?-999 ?-999 ? ZN ZN C 201 mASP.C 91 36.27 67.68 53.72 36.78 67.42 52.91 34.07 66.55 53.53 32.88 66.57 53.21 34.83 67.85 53.75 34.42 68.86 52.68 2 0 24.95-999 ?-999 ?-999 ? ZN ZN C 201 mSER.C 92 34.75 65.42 53.70 35.71 65.53 53.98 34.82 62.93 54.07 36.04 62.87 54.09 34.09 64.14 53.49 33.87 63.91 52.00 2 0 22.53-999 ?-999 ?-999 ? ZN ZN C 201 mPRO.C 93 34.05 61.95 54.56 33.06 62.12 54.52 35.06 59.87 53.94 34.77 60.19 52.79 34.65 60.74 55.12 33.51 60.13 55.92 3 0 19.63-999 ?-999 ?-999 ? ZN ZN C 201 mILE^C 94 35.72 58.76 54.24 35.90 58.62 55.21 36.04 56.41 53.73 36.42 56.14 54.87 36.13 57.83 53.20 37.57 58.14 52.71 3 0 16.77-999 ?-999 ?-999 ? ZN ZN C 201 mGLY^C 95 35.50 55.51 52.90 35.22 55.88 52.02 36.15 53.28 52.29 36.03 53.47 51.08 35.35 54.11 53.27-999.99-999.99-999.99 1 0 15.45-999 ?-999 ?-999 ? ZN ZN C 201 mPHE^C 96 36.96 52.35 52.80 36.93 52.26 53.79 38.16 50.16 52.41 38.02 49.83 53.59 37.82 51.56 51.93 39.13 52.31 51.71 3 0 12.54-999 ?-999 ?-999 ? ZN ZN C 201 mLEU^C 97 38.64 49.36 51.46 38.68 49.79 50.56 40.57 47.90 51.51 41.13 48.54 50.62 39.06 47.99 51.70 38.39 47.05 50.70 3 0 10.77-999 ?-999 ?-999 ? ZN ZN C 201 mCYH^C 98 41.21 47.09 52.35 40.61 46.67 53.02 42.84 45.34 52.22 42.66 44.65 53.22 42.65 46.84 52.28 43.37 47.35 53.53 2 0 7.27-999 ?-999 ?-999 ? ZN ZN C 201 mILE^C 99 43.21 44.84 51.04 43.31 45.53 50.32 44.94 43.18 50.91 45.72 43.73 50.13 43.44 43.42 50.84 42.93 42.97 49.47 3 0 8.41-999 ?-999 ?-999 ? ZN ZN C 201 mGLN^C 100 45.33 42.35 51.87 44.58 41.98 52.42 47.01 40.62 51.61 46.36 39.66 52.05 46.73 42.04 52.10 47.01 42.18 53.59 2 0 6.87-999 ?-999 ?-999 ? ZN ZN C 201 mVAL^C 101 47.96 40.49 50.69 48.38 41.35 50.42 49.84 39.10 49.94 50.51 40.11 49.68 48.33 39.18 50.14 47.63 38.91 48.77 3 0 9.94-999 ?-999 ?-999 ? ZN ZN C 201 mLYS^C 102 50.39 37.89 50.05 49.75 37.15 50.25 52.20 38.02 48.42 51.69 37.39 47.51 51.83 37.72 49.87 52.27 36.31 50.24 2 0 11.61-999 ?-999 ?-999 ? ZN ZN C 201 mALA.C 103 53.08 39.00 48.24 53.41 39.42 49.08 54.15 38.25 46.14 54.93 37.49 46.69 53.51 39.40 46.91 54.50 40.57 47.01 2 0 12.62-999 ?-999 ?-999 ? ZN ZN C 201 mGLY.C 104 53.78 38.12 44.87 53.12 38.80 44.55 53.85 35.67 44.33 54.36 34.71 43.74 54.33 37.07 44.02-999.99-999.99-999.99 1 0 16.38-999 ?-999 ?-999 ? ZN ZN C 201 mSER.C 105 52.88 35.53 45.23 52.54 36.39 45.62 51.35 33.63 44.63 51.17 32.42 44.56 52.39 34.21 45.60 51.78 34.24 47.00 2 0 16.91-999 ?-999 ?-999 ? ZN ZN C 201 mLEU.C 106 50.69 34.50 43.87 50.94 35.46 44.00 50.27 33.29 41.75 51.25 33.74 41.15 49.68 34.04 42.94 48.85 35.23 42.44 3 0 13.84-999 ?-999 ?-999 ? ZN ZN D 201 mGLU.C 107 49.68 32.15 41.43 48.92 31.89 42.03 49.02 31.36 39.25 48.79 32.37 38.60 50.13 31.37 40.29 50.49 29.94 40.73 2 0 13.95-999 ?-999 ?-999 ? ZN ZN D 201 mGLY.C 108 48.34 30.24 39.08 48.63 29.47 39.65 46.05 30.92 38.70 45.93 31.06 39.92 47.26 30.20 38.12-999.99-999.99-999.99 1 0 11.49-999 ?-999 ?-999 ? ZN ZN D 201 mTYR~C 109 45.16 31.39 37.84 45.39 31.24 36.88 42.95 32.15 37.16 43.32 32.19 35.99 43.96 32.08 38.29 44.31 33.49 38.80 3 0 8.17-999 ?-999 ?-999 ? ZN ZN D 201 mTHR~C 110 41.67 32.16 37.53 41.54 32.13 38.52 40.73 31.07 35.56 40.54 29.91 35.91 40.57 32.21 36.56 40.54 33.58 35.83 2 0 6.12-999 ?-999 ?-999 ? ZN ZN D 201 mMETC 111 41.09 31.40 34.32 41.21 32.38 34.18 42.25 29.30 33.69 42.05 28.13 33.37 41.27 30.40 33.28 41.77 31.06 32.00 2 0 9.18-999 ?-999 ?-999 ? ZN ZN D 201 mTHR~C 112 43.31 29.67 34.39 43.36 30.65 34.61 44.14 28.13 36.21 45.10 27.59 36.78 44.29 28.68 34.79 45.73 29.22 34.60 2 0 10.54-999 ?-999 ?-999 ? ZN ZN D 201 mASP.C 113 42.94 28.26 36.79 42.26 28.75 36.25 41.24 27.33 38.39 40.97 26.49 39.24 42.69 27.72 38.13 43.15 28.68 39.23 2 0 8.10-999 ?-999 ?-999 ? ZN ZN D 201 mGLY^C 114 40.31 27.94 37.67 40.64 28.62 37.02 38.56 26.29 37.16 39.15 25.94 36.15 38.91 27.60 37.86-999.99-999.99-999.99 1 0 5.76-999 ?-999 ?-999 ? ZN ZN D 201 mVAL^C 115 37.59 25.57 37.72 37.20 25.96 38.55 35.63 24.30 37.01 34.91 24.39 38.00 37.15 24.30 37.14 37.59 23.10 38.01 3 0 8.35-999 ?-999 ?-999 ? ZN ZN D 201 mVAL^C 116 35.16 24.22 35.77 35.86 24.16 35.06 33.14 22.84 35.82 33.72 21.81 35.50 33.73 24.21 35.49 33.45 24.55 34.01 3 0 9.54-999 ?-999 ?-999 ? ZN ZN D 201 mGLN.C 117 31.99 22.86 36.48 31.65 23.78 36.68 30.12 21.43 35.91 29.08 22.08 36.04 31.29 21.65 36.87 30.76 21.79 38.29 2 0 11.89-999 ?-999 ?-999 ? ZN ZN D 201 mLEU.C 118 30.30 20.54 34.95 31.19 20.09 34.96 28.14 19.38 34.56 28.24 19.01 35.75 29.25 20.25 33.97 29.86 19.56 32.75 3 0 15.06-999 ?-999 ?-999 ? ZN ZN D 201 mMETD 1 59.91 51.57 39.06 60.03 50.60 38.83 58.77 53.19 40.56 59.13 52.93 41.71 59.74 53.01 39.40 59.25 53.79 38.17 2 0 20.11-999 ?-999 ?-999 ? ZN ZN C 201 mLYS.D 2 57.56 53.65 40.27 57.42 53.82 39.29 56.21 52.59 42.05 56.15 51.51 41.47 56.54 53.88 41.28 55.24 54.38 40.64 2 0 17.31-999 ?-999 ?-999 ? ZN ZN C 201 mASN.D 3 55.99 52.72 43.36 56.08 53.66 43.70 54.14 51.35 44.23 53.64 50.67 45.13 55.65 51.58 44.20 56.15 51.81 45.62 2 0 13.73-999 ?-999 ?-999 ? ZN ZN C 201 mTYR^D 4 53.42 51.92 43.27 53.95 52.45 42.60 51.42 51.98 41.81 52.10 52.53 40.95 51.98 51.75 43.22 51.29 52.74 44.17 3 0 13.36-999 ?-999 ?-999 ? ZN ZN C 201 mGLN^D 5 50.19 51.54 41.60 49.80 51.07 42.40 48.01 52.00 40.76 47.51 51.44 41.73 49.46 51.71 40.35 49.50 50.45 39.49 2 0 15.78-999 ?-999 ?-999 ? ZN ZN C 201 mLYS^D 6 47.36 52.88 40.01 47.89 53.25 39.25 45.12 53.28 39.07 45.61 53.44 37.96 45.99 53.27 40.31 45.98 54.66 40.95 2 0 16.60-999 ?-999 ?-999 ? ZN ZN C 201 mMETD 7 43.82 53.10 39.28 43.57 52.94 40.24 41.48 53.40 38.77 41.26 53.21 39.96 42.85 53.13 38.19 42.83 51.80 37.43 2 0 19.30-999 ?-999 ?-999 ? ZN ZN C 201 mSER^D 8 40.56 53.85 37.93 40.87 53.97 36.99 38.24 53.22 37.67 38.41 52.92 36.49 39.22 54.14 38.38 38.86 55.60 38.10 2 0 20.91-999 ?-999 ?-999 ? ZN ZN C 201 mVAL.D 9 37.22 52.79 38.40 37.22 53.13 39.34 34.83 52.53 37.97 34.44 53.00 39.04 36.21 51.90 37.85 36.20 50.55 38.61 3 0 20.37-999 ?-999 ?-999 ? ZN ZN D 201 mALA.D 10 34.08 52.54 36.87 34.53 52.14 36.07 31.86 52.35 37.86 32.12 51.18 38.15 32.74 53.11 36.86 32.14 53.02 35.46 2 0 22.01-999 ?-999 ?-999 ? ZN ZN D 201 mGLN.D 11 30.84 53.01 38.37 30.75 53.95 38.02 29.36 51.06 38.95 29.23 50.17 39.79 29.92 52.43 39.35 28.76 53.40 39.62 2 0 21.67-999 ?-999 ?-999 ? ZN ZN D 201 mASP.D 12 29.02 50.91 37.68 29.18 51.71 37.10 29.32 48.99 36.13 28.81 48.39 35.18 28.45 49.65 37.20 27.03 49.88 36.66 2 0 19.85-999 ?-999 ?-999 ? ZN ZN D 201 mALA.D 13 30.64 49.09 36.28 30.94 49.59 37.09 32.02 47.12 35.78 32.23 46.90 36.98 31.54 48.48 35.31 32.74 49.40 35.05 2 0 18.23-999 ?-999 ?-999 ? ZN ZN D 201 mARG.D 14 32.18 46.20 34.84 31.96 46.53 33.92 34.06 44.73 34.60 34.29 44.79 33.39 32.64 44.85 35.12 31.76 43.83 34.42 2 0 14.73-999 ?-999 ?-999 ? ZN ZN D 201 mVAL^D 15 35.01 44.55 35.51 34.68 44.50 36.45 37.19 43.56 36.07 36.73 43.22 37.16 36.40 44.44 35.12 37.07 45.84 35.09 3 0 13.92-999 ?-999 ?-999 ? ZN ZN D 201 mGLU^D 16 38.38 43.18 35.63 38.58 43.51 34.71 40.51 43.28 36.63 40.91 44.02 35.72 39.31 42.38 36.42 39.70 41.12 35.65 2 0 11.92-999 ?-999 ?-999 ? ZN ZN D 201 mLEU~D 17 41.09 43.23 37.82 40.69 42.56 38.44 43.61 43.53 38.00 44.57 44.29 37.94 42.21 44.10 38.16 42.04 44.59 39.60 3 0 14.00-999 ?-999 ?-999 ? ZN ZN D 201 mHIS~D 18 43.75 42.21 37.92 42.91 41.68 37.93 46.01 42.26 36.79 47.07 42.78 37.14 45.08 41.63 37.82 45.01 40.12 37.59 3 0 13.63-999 ?-999 ?-999 ? ZN ZN D 201 mASP~D 19 45.63 42.22 35.51 44.75 41.79 35.34 46.57 44.30 34.49 47.65 44.87 34.32 46.49 42.78 34.48 46.07 42.29 33.10 2 0 16.37-999 ?-999 ?-999 ? ZN ZN D 201 mSER~D 20 45.44 44.97 34.72 44.64 44.39 34.86 46.23 47.07 35.87 46.77 48.17 35.71 45.41 46.44 34.74 43.96 46.93 34.83 2 0 18.38-999 ?-999 ?-999 ? ZN ZN D 201 mLEU~D 21 46.34 46.38 37.00 45.86 45.50 37.00 48.39 46.12 38.33 49.17 46.43 39.23 47.10 46.90 38.13 46.27 46.85 39.41 3 0 17.55-999 ?-999 ?-999 ? ZN ZN C 201 mALA~D 22 48.60 45.10 37.50 47.88 44.99 36.82 49.88 43.61 38.98 50.94 43.65 39.61 49.78 44.25 37.59 51.05 45.05 37.28 2 0 18.26-999 ?-999 ?-999 ? ZN ZN C 201 mLEU.D 23 48.78 43.03 39.45 47.99 43.08 38.84 49.66 41.13 40.69 49.81 40.52 39.63 48.77 42.37 40.75 47.35 41.97 41.13 3 0 15.66-999 ?-999 ?-999 ? ZN ZN C 201 mTHR.D 24 50.25 40.76 41.82 50.05 41.34 42.61 50.66 38.64 42.98 51.13 37.50 43.07 51.11 39.58 41.87 52.59 39.95 42.13 2 0 15.93-999 ?-999 ?-999 ? ZN ZN C 201 mGLY.D 25 49.75 39.10 43.82 49.43 40.03 43.65 47.83 37.89 44.86 47.33 37.14 45.71 49.29 38.27 44.92-999.99-999.99-999.99 1 0 14.06-999 ?-999 ?-999 ? ZN ZN C 201 mALA.D 26 47.13 38.38 43.84 47.64 38.95 43.20 45.12 38.55 42.42 45.78 39.18 41.60 45.71 38.07 43.73 44.96 38.72 44.89 2 0 11.80-999 ?-999 ?-999 ? ZN ZN D 201 mGLU^D 27 43.85 38.21 42.23 43.48 37.61 42.94 41.83 39.18 41.76 41.32 38.55 42.69 43.09 38.66 41.08 42.74 37.52 40.12 2 0 9.77-999 ?-999 ?-999 ? ZN ZN D 201 mVAL^D 28 41.37 40.34 41.32 41.91 40.75 40.59 39.22 41.24 40.76 39.57 41.95 39.82 40.18 40.93 41.89 40.48 42.26 42.62 3 0 10.08-999 ?-999 ?-999 ? ZN ZN D 201 mSER^D 29 38.02 40.69 40.83 37.86 40.10 41.62 35.83 41.66 40.39 35.32 41.28 41.44 37.04 40.96 39.79 36.62 39.66 39.10 2 0 9.31-999 ?-999 ?-999 ? ZN ZN D 201 mILE^D 30 35.40 42.73 39.72 35.94 42.95 38.91 33.14 43.16 39.17 33.31 43.35 37.96 34.25 43.49 40.16 34.56 45.00 40.11 3 0 11.93-999 ?-999 ?-999 ? ZN ZN D 201 mASN^D 31 32.01 42.69 39.66 31.97 42.60 40.66 29.57 42.61 39.39 29.48 42.98 40.56 30.92 42.33 38.76 31.05 40.84 38.37 2 0 12.01-999 ?-999 ?-999 ? ZN ZN D 201 mHIS^D 32 28.52 42.45 38.60 28.74 42.20 37.66 26.18 42.06 38.09 26.40 42.10 36.87 27.17 42.64 39.09 26.88 44.12 39.39 3 0 14.26-999 ?-999 ?-999 ? ZN ZN D 201 mLEU^D 33 25.12 41.49 38.62 25.07 41.52 39.62 22.78 41.58 37.95 22.41 42.01 39.04 24.11 40.86 37.80 23.95 39.40 38.23 3 0 15.44-999 ?-999 ?-999 ? ZN ZN D 201 mPRO.D 34 22.04 41.74 36.84 22.45 41.37 36.00 19.76 41.46 37.58 20.01 40.25 37.67 20.75 42.41 36.91 20.40 42.65 35.45 3 0 19.18-999 ?-999 ?-999 ? ZN ZN D 201 mALA.D 35 18.64 42.00 38.06 18.57 42.98 37.92 17.27 39.95 37.90 17.14 40.01 36.68 17.62 41.19 38.72 16.37 42.02 38.96 2 0 20.94-999 ?-999 ?-999 ? ZN ZN D 201 mGLY.D 36 17.11 38.82 38.59 17.26 38.90 39.58 17.85 36.90 37.11 17.61 35.87 36.47 16.75 37.58 37.91-999.99-999.99-999.99 1 0 20.50-999 ?-999 ?-999 ? ZN ZN D 201 mALA.D 37 19.06 37.45 37.13 19.13 38.28 37.68 21.18 36.22 37.32 21.13 36.42 38.54 20.15 36.85 36.38 20.82 37.91 35.51 2 0 17.41-999 ?-999 ?-999 ? ZN ZN D 201 mGLY.D 38 22.09 35.44 36.75 22.01 35.34 35.76 24.18 34.16 36.69 24.01 34.03 35.48 23.11 34.80 37.55-999.99-999.99-999.99 1 0 13.82-999 ?-999 ?-999 ? ZN ZN D 201 mVAL.D 39 25.30 33.79 37.31 25.33 33.99 38.29 25.79 31.86 36.00 25.24 31.04 36.74 26.38 33.14 36.58 27.56 32.81 37.51 3 0 10.78-999 ?-999 ?-999 ? ZN ZN D 201 mPRO.D 40 25.88 31.69 34.67 26.34 32.44 34.20 26.04 29.18 34.20 25.69 28.19 33.55 25.34 30.52 33.97 25.38 30.95 32.50 3 0 12.88-999 ?-999 ?-999 ? ZN ZN D 201 mPHE.D 41 27.00 29.14 35.11 27.20 30.00 35.58 28.18 27.76 36.80 28.19 28.73 37.55 27.70 27.88 35.36 28.88 27.74 34.39 3 0 10.81-999 ?-999 ?-999 ? ZN ZN D 201 mVAL.D 42 28.57 26.55 37.17 28.49 25.86 36.45 30.55 25.96 38.40 31.00 25.34 37.43 29.07 26.25 38.51 28.37 25.00 39.10 3 0 9.28-999 ?-999 ?-999 ? ZN ZN D 201 mHIS^D 43 31.33 26.40 39.39 30.88 26.91 40.12 33.43 26.05 40.68 32.92 26.56 41.67 32.76 26.11 39.33 33.49 27.15 38.47 3 0 -6.76-999 ?-999 ?-999 ? ZN ZN D 201s mSER^D 44 34.58 25.41 40.69 34.84 25.02 39.81 36.79 25.71 41.45 36.99 26.15 40.31 35.40 25.27 41.87 35.39 23.81 42.36 2 0 6.60-999 ?-999 ?-999 ? ZN ZN D 201 mHIS^D 45 37.76 25.57 42.34 37.45 25.18 43.21 40.13 24.87 42.42 39.87 24.06 43.30 39.13 25.96 42.06 39.47 27.25 42.82 3 0 -6.60-999 ?-999 ?-999 ? ZN ZN D 201s mLYS.D 46 41.26 24.87 41.73 41.34 25.58 41.03 43.10 24.23 43.23 43.33 23.37 44.09 42.29 23.88 42.00 43.22 23.73 40.79 2 0 10.01-999 ?-999 ?-999 ? ZN ZN D 201 mGLN.D 47 43.55 25.47 43.34 43.29 26.09 42.60 44.07 27.25 45.04 44.68 27.66 46.03 44.35 25.85 44.49 45.83 25.73 44.14 2 0 10.71-999 ?-999 ?-999 ? ZN ZN D 201 mASN^D 48 43.15 27.98 44.42 42.72 27.54 43.63 41.64 29.43 45.82 40.56 28.91 45.54 42.84 29.32 44.89 42.61 30.29 43.73 2 0 8.17-999 ?-999 ?-999 ? ZN ZN D 201 mGLU^D 49 41.86 30.12 46.93 42.80 30.44 47.03 40.09 31.58 47.28 40.70 32.37 46.56 40.81 30.39 47.90 41.44 30.77 49.24 2 0 8.57-999 ?-999 ?-999 ? ZN ZN D 201 mGLU^D 50 38.80 31.71 47.53 38.40 31.00 48.11 37.30 33.55 48.08 36.70 32.93 48.96 38.06 32.82 46.97 37.12 32.31 45.88 2 0 -6.53-999 ?-999 ?-999 ? ZN ZN D 201s mILE^D 51 37.36 34.88 48.03 37.89 35.24 47.27 35.67 36.57 48.30 36.00 37.32 47.38 36.69 35.72 49.02 37.70 36.63 49.74 3 0 9.14-999 ?-999 ?-999 ? ZN ZN D 201 mTYR^D 52 34.41 36.45 48.69 34.27 35.80 49.44 32.87 38.33 48.99 32.72 38.12 50.19 33.35 37.22 48.07 32.17 36.31 47.72 3 0 9.54-999 ?-999 ?-999 ? ZN ZN D 201 mGLY^D 53 32.66 39.50 48.42 32.86 39.54 47.44 31.03 41.24 48.42 31.21 41.67 47.28 32.19 40.63 49.19-999.99-999.99-999.99 1 0 12.86-999 ?-999 ?-999 ? ZN ZN D 201 mILE^D 54 29.84 41.28 49.02 29.82 40.88 49.94 28.67 43.34 48.63 28.50 43.77 49.77 28.69 41.85 48.34 27.35 41.20 48.81 3 0 14.68-999 ?-999 ?-999 ? ZN ZN D 201 mLEU^D 55 28.86 44.13 47.58 28.98 43.65 46.72 27.53 46.24 47.66 27.33 47.30 48.25 28.90 45.58 47.71 29.79 46.18 46.62 3 0 17.10-999 ?-999 ?-999 ? ZN ZN D 201 mSER^D 56 26.60 45.63 46.95 26.87 44.77 46.52 24.21 45.21 46.42 24.52 44.11 45.96 25.27 46.22 46.83 25.30 47.35 45.81 2 0 19.11-999 ?-999 ?-999 ? ZN ZN D 201 mGLY^D 57 22.95 45.61 46.57 22.84 46.53 46.95 21.72 43.53 47.08 22.11 43.54 48.24 21.85 44.75 46.19-999.99-999.99-999.99 1 0 20.10-999 ?-999 ?-999 ? ZN ZN D 201 mLYS^D 58 21.15 42.48 46.51 20.89 42.61 45.56 20.77 40.09 46.27 20.52 40.30 45.09 20.94 41.24 47.24 19.70 41.37 48.13 2 0 19.09-999 ?-999 ?-999 ? ZN ZN D 201 mGLY^D 59 20.92 38.87 46.77 21.12 38.83 47.75 21.08 36.41 46.66 20.82 36.29 47.86 20.80 37.71 45.92-999.99-999.99-999.99 1 0 17.28-999 ?-999 ?-999 ? ZN ZN D 201 mPHE^D 60 21.63 35.44 45.94 21.81 35.68 44.99 23.19 33.57 45.93 23.62 33.98 44.86 21.92 34.14 46.53 20.79 33.15 46.23 3 0 15.56-999 ?-999 ?-999 ? ZN ZN D 201 mILE^D 61 23.78 32.61 46.63 23.36 32.42 47.52 24.77 30.48 46.56 24.48 30.20 47.72 24.95 31.92 46.12 26.29 32.48 46.67 3 0 12.44-999 ?-999 ?-999 ? ZN ZN D 201 mTHR^D 62 24.88 29.56 45.61 25.07 29.91 44.69 26.11 27.54 46.04 26.92 27.61 45.11 24.73 28.15 45.92 23.93 27.41 44.83 2 0 13.05-999 ?-999 ?-999 ? ZN ZN D 201 mILE^D 63 26.40 26.97 47.21 25.66 27.00 47.88 27.46 24.88 47.79 26.85 24.56 48.81 27.69 26.34 47.44 28.44 27.05 48.60 3 0 12.06-999 ?-999 ?-999 ? ZN ZN D 201 mASP.D 64 27.93 23.99 46.93 28.40 24.39 46.14 26.32 22.16 47.41 26.03 21.48 48.39 27.78 22.55 47.13 28.69 22.08 48.28 2 0 13.97-999 ?-999 ?-999 ? ZN ZN D 201 mGLY.D 65 25.41 22.61 46.55 25.77 23.18 45.81 23.22 23.11 47.70 21.99 23.08 47.72 24.00 22.27 46.71-999.99-999.99-999.99 1 0 16.52-999 ?-999 ?-999 ? ZN ZN D 201 mGLU^D 66 23.93 23.85 48.54 24.92 23.79 48.42 23.23 26.15 49.09 24.27 26.74 48.79 23.26 24.69 49.53 23.99 24.58 50.87 2 0 17.12-999 ?-999 ?-999 ? ZN ZN D 201 mLYS^D 67 22.04 26.73 49.03 21.25 26.17 49.28 21.89 29.06 49.81 21.08 28.87 50.72 21.97 28.12 48.61 20.79 28.35 47.65 2 0 16.62-999 ?-999 ?-999 ? ZN ZN D 201 mILE^D 68 22.77 30.05 49.81 23.36 30.07 49.00 22.36 32.38 50.42 22.75 32.86 49.37 22.84 31.02 50.88 24.30 31.17 51.37 3 0 16.74-999 ?-999 ?-999 ? ZN ZN D 201 mGLU^D 69 21.50 33.00 51.23 21.26 32.49 52.06 22.11 35.34 51.08 22.93 35.22 51.99 21.00 34.32 50.89 19.81 34.69 51.77 2 0 18.42-999 ?-999 ?-999 ? ZN ZN D 201 mLEU^D 70 22.14 36.33 50.20 21.40 36.30 49.52 22.56 38.78 50.21 21.52 39.01 49.59 23.16 37.38 50.24 24.09 37.23 49.04 3 0 17.05-999 ?-999 ?-999 ? ZN ZN D 201 mGLN^D 71 23.24 39.71 50.86 24.05 39.36 51.34 24.07 41.97 51.07 25.10 41.47 51.53 22.83 41.11 50.86 21.81 41.38 51.96 2 0 19.17-999 ?-999 ?-999 ? ZN ZN D 201 mALA.D 72 23.96 43.24 50.72 23.07 43.50 50.36 25.68 44.00 52.26 24.94 43.91 53.25 25.07 44.16 50.88 24.59 45.60 50.67 2 0 19.48-999 ?-999 ?-999 ? ZN ZN D 201 mGLY.D 73 27.01 43.94 52.34 27.49 44.01 51.46 28.09 42.37 53.94 28.85 42.15 54.89 27.67 43.79 53.62-999.99-999.99-999.99 1 0 19.55-999 ?-999 ?-999 ? ZN ZN D 201 mASP^D 74 27.61 41.39 53.18 27.00 41.70 52.45 29.34 39.65 52.81 29.66 40.07 51.70 27.97 40.00 53.41 26.90 39.06 52.81 2 0 17.17-999 ?-999 ?-999 ? ZN ZN D 201 mTRP^D 75 30.13 38.89 53.55 29.75 38.65 54.44 31.60 36.97 53.31 31.21 36.44 54.35 31.45 38.47 53.10 32.56 39.21 53.86 3 0 14.80-999 ?-999 ?-999 ? ZN ZN D 201 mLEU^D 76 32.18 36.30 52.32 32.47 36.85 51.54 33.71 34.37 51.95 34.35 34.98 51.09 32.35 34.86 52.41 31.31 34.15 51.56 3 0 12.61-999 ?-999 ?-999 ? ZN ZN D 201 mARG^D 77 34.15 33.27 52.54 33.55 32.93 53.27 34.90 31.33 51.55 33.98 30.70 52.07 35.38 32.63 52.16 36.26 32.30 53.38 2 0 11.42-999 ?-999 ?-999 ? ZN ZN D 201 mILE^D 78 35.49 30.92 50.44 36.19 31.54 50.07 36.35 28.87 49.56 37.29 29.35 48.92 35.09 29.67 49.83 34.32 29.88 48.52 3 0 9.32-999 ?-999 ?-999 ? ZN ZN D 201 mALA.D 79 36.40 27.65 50.10 35.60 27.39 50.63 37.56 26.36 48.44 36.52 26.34 47.78 37.56 26.81 49.89 37.51 25.59 50.82 2 0 10.43-999 ?-999 ?-999 ? ZN ZN D 201 mPRO.D 80 38.74 25.99 47.92 39.49 26.05 48.58 37.90 24.49 46.06 37.33 24.63 44.98 38.91 25.52 46.54 40.33 24.97 46.55 3 0 8.88-999 ?-999 ?-999 ? ZN ZN D 201 mASP.D 81 37.67 23.46 46.87 38.19 23.48 47.73 35.27 22.82 46.43 34.46 22.13 45.82 36.74 22.39 46.51 36.85 21.22 47.50 2 0 10.96-999 ?-999 ?-999 ? ZN ZN D 201 mGLY.D 82 34.93 23.94 47.04 35.66 24.42 47.51 33.04 24.66 45.60 33.68 25.38 44.83 33.54 24.38 47.00-999.99-999.99-999.99 1 0 9.97-999 ?-999 ?-999 ? ZN ZN D 201 mLYS.D 83 31.89 24.08 45.25 31.50 23.50 45.97 30.31 25.47 44.17 29.34 25.36 44.93 31.25 24.30 43.95 30.48 23.05 43.52 2 0 9.47-999 ?-999 ?-999 ? ZN ZN D 201 mARG^D 84 30.57 26.58 43.48 31.34 26.50 42.84 29.11 28.34 42.43 29.54 28.09 41.30 29.79 27.79 43.67 30.70 28.86 44.25 2 0 8.05-999 ?-999 ?-999 ? ZN ZN D 201 mGLN^D 85 28.06 29.12 42.67 27.84 29.23 43.64 26.46 30.85 42.24 25.53 30.57 43.00 27.31 29.76 41.60 26.41 28.74 40.88 2 0 9.14-999 ?-999 ?-999 ? ZN ZN D 201 mILE^D 86 26.78 32.10 41.94 27.55 32.19 41.31 25.00 33.75 41.51 25.11 33.56 40.30 26.05 33.24 42.49 27.02 34.40 42.87 3 0 10.39-999 ?-999 ?-999 ? ZN ZN D 201 mSER^D 87 23.97 34.40 42.05 23.99 34.47 43.04 22.24 36.11 41.97 22.31 36.19 43.20 22.91 34.96 41.23 21.86 33.89 40.87 2 0 13.68-999 ?-999 ?-999 ? ZN ZN D 201 mALA^D 88 21.62 37.00 41.22 21.66 36.81 40.24 19.56 37.73 42.31 19.09 36.63 42.03 20.93 38.15 41.80 20.78 39.23 40.76 2 0 16.58-999 ?-999 ?-999 ? ZN ZN D 201 mALA.D 89 18.93 38.61 43.07 19.42 39.45 43.25 16.62 38.51 42.44 16.93 39.15 41.43 17.60 38.31 43.59 17.26 39.24 44.74 2 0 19.91-999 ?-999 ?-999 ? ZN ZN D 201 mSER.D 90 15.43 37.95 42.60 15.32 37.46 43.47 13.93 39.49 41.40 13.58 39.90 40.29 14.40 38.05 41.59 13.22 37.17 41.98 2 0 22.70-999 ?-999 ?-999 ? ZN ZN D 201 mASP.D 91 13.94 40.26 42.49 14.28 39.80 43.31 14.60 42.64 42.67 14.34 43.80 42.99 13.48 41.64 42.45 12.41 41.84 43.52 2 0 24.83-999 ?-999 ?-999 ? ZN ZN D 201 mSER.D 92 15.84 42.21 42.50 15.93 41.25 42.23 18.29 42.64 42.14 18.58 41.44 42.14 16.97 43.12 42.71 17.16 43.38 44.21 2 0 22.42-999 ?-999 ?-999 ? ZN ZN D 201 mPRO.D 93 19.10 43.58 41.65 18.75 44.52 41.69 21.35 43.02 42.27 20.97 43.23 43.42 20.41 43.23 41.09 20.77 44.47 40.28 3 0 19.53-999 ?-999 ?-999 ? ZN ZN D 201 mILE^D 94 22.57 42.60 41.98 22.74 42.44 41.00 24.94 42.76 42.50 25.28 42.44 41.37 23.56 42.38 43.03 23.54 40.91 43.53 3 0 16.67-999 ?-999 ?-999 ? ZN ZN D 201 mGLY^D 95 25.70 43.47 43.33 25.28 43.69 44.20 28.01 43.27 43.94 27.80 43.36 45.16 27.04 43.89 42.96-999.99-999.99-999.99 1 0 15.36-999 ?-999 ?-999 ? ZN ZN D 201 mPHE^D 96 29.08 42.66 43.44 29.17 42.71 42.45 31.48 41.94 43.84 31.78 42.16 42.67 30.03 41.99 44.32 29.57 40.56 44.54 3 0 12.47-999 ?-999 ?-999 ? ZN ZN D 201 mLEU^D 97 32.35 41.62 44.79 31.93 41.47 45.68 34.19 40.03 44.77 33.68 39.37 45.67 33.78 41.49 44.56 34.56 42.34 45.56 3 0 10.72-999 ?-999 ?-999 ? ZN ZN D 201 mCYH^D 98 35.10 39.56 43.92 35.38 40.22 43.23 37.14 38.32 44.08 37.78 38.64 43.08 35.63 38.20 44.01 35.28 37.38 42.76 2 0 7.23-999 ?-999 ?-999 ? ZN ZN D 201 mILE^D 99 37.69 38.06 45.26 37.04 37.83 45.97 39.67 36.70 45.40 39.30 35.83 46.19 39.13 38.12 45.46 39.48 38.71 46.83 3 0 8.43-999 ?-999 ?-999 ? ZN ZN D 201 mGLN^D 100 40.55 36.47 44.43 40.76 37.27 43.88 42.58 35.17 44.71 43.38 36.00 44.27 41.14 35.17 44.22 41.06 34.86 42.72 2 0 6.92-999 ?-999 ?-999 ? ZN ZN D 201 mVAL^D 101 42.91 34.27 45.63 42.15 33.67 45.90 44.64 32.70 46.40 43.78 31.85 46.65 44.26 34.17 46.19 44.39 34.92 47.56 3 0 10.00-999 ?-999 ?-999 ? ZN ZN D 201 mLYS^D 102 45.93 32.40 46.31 46.53 33.17 46.11 46.16 30.63 47.95 46.69 31.26 48.86 46.38 31.03 46.50 47.87 30.90 46.14 2 0 11.69-999 ?-999 ?-999 ? ZN ZN D 201 mALA.D 103 45.36 29.58 48.14 45.00 29.18 47.30 46.31 28.69 50.24 47.21 28.07 49.67 45.05 29.08 49.47 44.11 27.87 49.36 2 0 12.67-999 ?-999 ?-999 ? ZN ZN D 201 mGLY.D 104 46.36 29.06 51.52 45.56 29.57 51.84 48.78 29.50 52.06 49.83 29.21 52.65 47.50 28.75 52.37-999.99-999.99-999.99 1 0 16.44-999 ?-999 ?-999 ? ZN ZN D 201 mSER.D 105 48.73 30.47 51.15 47.82 30.63 50.76 50.28 32.35 51.74 51.44 32.77 51.81 49.93 31.22 50.78 49.79 31.80 49.37 2 0 16.97-999 ?-999 ?-999 ? ZN ZN C 201 mLEU.D 106 49.29 32.83 52.49 48.40 32.40 52.35 50.39 33.49 54.61 50.15 32.45 55.22 49.54 33.92 53.42 48.22 34.49 53.92 3 0 13.73-999 ?-999 ?-999 ? ZN ZN C 201 mGLU.D 107 51.39 34.30 54.94 51.50 35.10 54.35 52.02 35.12 57.12 50.97 35.15 57.76 52.25 34.02 56.09 53.72 33.97 55.65 2 0 13.83-999 ?-999 ?-999 ? ZN ZN C 201 mGLY.D 108 52.98 36.02 57.28 53.80 35.89 56.72 51.85 38.13 57.64 51.68 38.20 56.42 52.80 37.10 58.22-999.99-999.99-999.99 1 0 11.34-999 ?-999 ?-999 ? ZN ZN C 201 mTYR~D 109 51.22 38.92 58.50 51.43 38.74 59.46 50.03 40.93 59.16 50.06 40.56 60.34 50.31 39.95 58.03 49.00 39.33 57.53 3 0 8.02-999 ?-999 ?-999 ? ZN ZN C 201 mTHR~D 110 49.76 42.18 58.79 49.77 42.32 57.80 50.63 43.32 60.75 51.74 43.74 60.40 49.48 43.24 59.75 48.15 42.99 60.48 2 0 5.97-999 ?-999 ?-999 ? ZN ZN C 201 mMETD 111 50.38 42.92 61.99 49.44 42.60 62.13 52.67 42.20 62.63 53.79 42.63 62.95 51.40 42.94 63.03 50.86 42.32 64.32 2 0 9.05-999 ?-999 ?-999 ? ZN ZN C 201 mTHR~D 112 52.52 41.08 61.94 51.58 40.82 61.73 54.19 40.56 60.12 54.89 39.72 59.56 53.69 40.31 61.54 53.45 38.80 61.75 2 0 10.40-999 ?-999 ?-999 ? ZN ZN C 201 mASP.D 113 53.84 41.71 59.53 53.24 42.28 60.08 54.42 43.56 57.94 55.19 44.00 57.10 54.32 42.06 58.19 53.47 41.41 57.10 2 0 7.97-999 ?-999 ?-999 ? ZN ZN C 201 mGLY^D 114 53.62 44.35 58.65 53.03 43.88 59.31 54.88 46.40 59.16 55.33 45.88 60.18 53.67 45.79 58.46-999.99-999.99-999.99 1 0 5.67-999 ?-999 ?-999 ? ZN ZN C 201 mVAL^D 115 55.40 47.49 58.60 54.94 47.79 57.77 56.25 49.65 59.29 56.04 50.33 58.29 56.55 48.17 59.18 57.82 47.98 58.31 3 0 8.31-999 ?-999 ?-999 ? ZN ZN C 201 mVAL^D 116 56.22 50.14 60.53 56.39 49.46 61.25 57.16 52.39 60.47 58.29 52.03 60.81 55.95 51.54 60.80 55.56 51.76 62.28 3 0 9.53-999 ?-999 ?-999 ? ZN ZN C 201 mGLN.D 117 56.92 53.51 59.79 55.95 53.66 59.58 58.21 55.43 60.53 57.47 56.40 60.66 57.98 54.42 59.41 57.59 55.15 58.13 2 0 11.91-999 ?-999 ?-999 ? ZN ZN C 201 mLEU.D 118 59.23 55.17 61.34 59.73 54.33 61.09 60.00 57.41 62.01 59.94 57.68 60.79 59.59 56.02 62.47 60.74 55.38 63.24 3 0 15.19-999 ?-999 ?-999 ? ZN ZN C 201