HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 07-AUG-09 3ILM COMPND ALR3790 PROTEIN; COMPND 3 CHAIN: A, B, C, D; COMPND 4 FRAGMENT: SEQUENCE DATABASE RESIDUES 20-151; COMPND 5 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: NOSTOC SP.; SOURCE 3 ORGANISM_TAXID: 103690; SOURCE 4 STRAIN: PCC 7120; SOURCE 5 GENE: ALR3790; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 7 EXPRESSION_SYSTEM_TAXID: 469008; SOURCE 8 EXPRESSION_SYSTEM_STRAIN: BL21 (DE3) +MAGIC; SOURCE 9 EXPRESSION_SYSTEM_VECTOR: PET 21-23C AUTHOR S.VOROBIEV,Y.CHEN,M.MAGLAQUI,C.CICCOSANTI,L.MAO,R.XIAO,T.B.ACTON, AUTHOR 2 G.T.MONTELIONE,L.TONG,J.F.HUNT,NORTHEAST STRUCTURAL GENOMICS AUTHOR 3 CONSORTIUM (NESG) HET MSE A 53 8 HET MSE A 56 8 HET MSE A 58 8 HET MSE A 140 8 HET MSE B 53 8 HET MSE B 56 8 HET MSE B 58 8 HET MSE B 140 8 HET MSE C 53 8 HET MSE C 56 8 HET MSE C 58 8 HET MSE C 140 8 HET MSE D 53 8 HET MSE D 56 8 HET MSE D 58 8 HET MSE D 140 8 HET MN A 204 1 HET MN B 202 1 HET MN C 201 1 HET MN C 205 1 HET MN D 203 1 SITE 1 AC1 4 HIS A 51 GLU A 120 HOH B 352 HOH B 412 SITE 1 AC2 2 GLU B 61 HOH B 333 SITE 1 AC3 5 HIS C 51 GLU C 120 HOH C 351 GLU D 120 SITE 1 AC4 3 ASP B 76 HIS C 101 HOH C 360 SITE 1 AC5 2 HIS D 51 GLU D 120 mSER.A 20 28.09 32.42 85.86 28.31 31.45 85.92 26.29 34.07 85.35 25.65 33.17 84.80 27.75 33.87 85.75 28.70 34.55 84.77 2 0 21.09-999 ?-999 ?-999 ? MN MN A 204 mASP~A 21 25.78 35.27 85.60 26.43 35.92 85.99 24.03 35.97 83.90 24.79 36.64 83.22 24.38 35.58 85.33 23.93 36.69 86.29 2 0 20.63-999 ?-999 ?-999 ? MN MN A 204 mALA~A 22 22.85 35.55 83.45 22.31 35.03 84.11 22.40 37.36 81.80 22.76 37.79 80.71 22.43 35.85 82.10 21.08 35.21 81.84 2 0 17.61-999 ?-999 ?-999 ? MN MN A 204 mHIS~A 23 21.98 38.17 82.78 21.72 37.69 83.62 23.27 40.23 82.25 23.36 41.21 81.52 21.91 39.63 82.61 21.42 40.29 83.89 3 0 19.41-999 ?-999 ?-999 ? MN MN A 204 mVAL~A 24 24.33 39.66 82.81 24.13 38.89 83.41 26.07 39.86 81.08 26.50 40.77 80.36 25.68 40.13 82.53 26.69 39.47 83.48 3 0 19.49-999 ?-999 ?-999 ? MN MN A 204 mLEU~A 25 25.91 38.61 80.63 25.55 37.97 81.31 25.42 39.07 78.26 25.93 39.47 77.23 26.24 38.24 79.26 25.99 36.74 79.02 3 0 15.81-999 ?-999 ?-999 ? MN MN A 204 mLYS~A 26 24.15 39.32 78.57 23.85 38.94 79.45 23.89 41.51 77.56 23.91 42.09 76.47 23.31 40.11 77.69 21.88 40.17 78.23 2 0 15.26-999 ?-999 ?-999 ? MN MN A 204 mSER~A 27 24.39 42.06 78.67 24.31 41.50 79.50 26.27 43.35 77.79 26.53 44.26 76.98 24.99 43.38 78.63 25.30 43.88 80.04 2 0 18.01-999 ?-999 ?-999 ? MN MN A 204 mARG~A 28 27.07 42.30 77.99 26.75 41.64 78.68 27.99 42.15 75.75 28.67 42.79 74.97 28.31 42.15 77.24 29.03 40.85 77.61 2 0 16.67-999 ?-999 ?-999 ? MN MN A 204 mLEU~A 29 26.94 41.43 75.37 26.45 40.97 76.10 25.98 42.65 73.39 26.10 42.92 72.20 26.57 41.36 73.96 25.60 40.20 73.71 3 0 13.47-999 ?-999 ?-999 ? MN MN A 204 mGLU~A 30 25.35 43.46 74.24 25.33 43.13 75.19 25.71 45.88 73.86 25.71 46.73 72.97 24.75 44.71 73.80 23.55 45.09 74.67 2 0 15.81-999 ?-999 ?-999 ? MN MN A 204 mTRP~A 31 26.52 45.92 74.90 26.46 45.13 75.51 28.90 46.78 75.33 29.70 47.72 75.29 27.42 47.04 75.13 26.96 47.79 76.36 3 0 18.78-999 ?-999 ?-999 ? MN MN A 204 mGLY~A 32 29.26 45.52 75.55 28.53 44.84 75.49 31.71 45.09 74.79 31.46 45.06 73.59 30.64 45.21 75.85-999.99-999.99-999.99 1 0 18.58-999 ?-999 ?-999 ? MN MN A 204 mGLU.A 33 32.94 45.05 75.29 33.01 45.17 76.27 33.81 43.51 73.75 33.26 42.60 74.37 34.08 44.83 74.42 35.38 44.81 75.23 2 0 19.06-999 ?-999 ?-999 ? MN MN A 204 mPRO.A 34 34.18 43.41 72.47 34.60 44.26 72.15 34.69 40.96 72.06 34.22 39.87 71.75 34.04 42.26 71.58 34.70 42.72 70.28 3 0 15.99-999 ?-999 ?-999 ? MN MN A 204 mALA.A 35 35.75 41.09 72.83 35.96 42.03 73.10 36.00 38.87 74.21 36.53 38.67 75.29 36.53 39.93 73.23 37.88 40.38 73.70 2 0 17.06-999 ?-999 ?-999 ? MN MN A 204 mPHE^A 36 34.98 38.14 73.80 34.60 38.40 72.92 33.78 36.13 73.64 33.41 36.52 72.55 34.49 37.04 74.59 33.58 37.52 75.70 3 0 15.10-999 ?-999 ?-999 ? MN MN A 204 mTHR^A 37 33.62 34.89 74.06 33.98 34.69 74.97 31.97 33.15 74.05 32.17 32.94 75.24 32.95 33.93 73.22 33.97 32.99 72.56 2 0 12.23-999 ?-999 ?-999 ? MN MN A 204 mILE^A 38 30.87 32.78 73.41 30.82 33.08 72.46 29.92 30.63 73.37 29.92 30.55 72.14 29.83 31.99 74.05 28.43 32.59 73.80 3 0 10.61-999 ?-999 ?-999 ? MN MN A 204 mLEU^A 39 30.01 29.57 74.17 29.99 29.79 75.15 28.91 27.36 74.01 28.66 27.10 75.18 30.12 28.21 73.64 31.41 27.55 74.18 3 0 10.93-999 ?-999 ?-999 ? MN MN A 204 mASP^A 40 28.15 26.96 73.00 28.45 27.30 72.10 27.59 24.71 73.17 28.16 24.29 72.16 26.98 26.11 73.19 25.99 26.26 72.04 2 0 10.13-999 ?-999 ?-999 ? MN MN A 204 mVAL.A 41 27.47 24.00 74.29 26.95 24.43 75.02 27.15 21.50 74.22 27.51 20.37 74.55 28.08 22.70 74.38 28.88 22.61 75.70 3 0 13.38-999 ?-999 ?-999 ? MN MN A 204 mARG.A 42 25.95 21.74 73.69 25.78 22.69 73.45 25.14 20.03 72.13 26.03 20.37 71.36 24.98 20.67 73.50 23.55 21.18 73.60 2 0 13.73-999 ?-999 ?-999 ? MN MN A 204 mASP~A 43 24.23 19.10 71.85 23.59 18.95 72.60 24.15 19.40 69.44 23.66 20.52 69.60 24.17 18.38 70.59 22.91 17.51 70.63 2 0 14.22-999 ?-999 ?-999 ? MN MN A 204 mARG~A 44 24.69 19.03 68.29 25.06 18.10 68.28 23.31 20.29 66.66 22.97 21.47 66.49 24.71 19.93 67.14 25.47 19.30 65.97 2 0 11.77-999 ?-999 ?-999 ? MN MN A 204 mSER~A 45 22.50 19.27 66.41 22.88 18.36 66.57 20.41 20.37 66.96 19.62 21.23 66.58 21.15 19.51 65.94 20.41 18.19 65.69 2 0 12.38-999 ?-999 ?-999 ? MN MN A 204 mTHR~A 46 20.67 20.15 68.24 21.34 19.43 68.42 20.38 22.40 69.13 19.54 23.28 69.21 20.00 20.94 69.28 20.38 20.49 70.68 2 0 12.08-999 ?-999 ?-999 ? MN MN A 204 mTYR~A 47 21.67 22.64 68.92 22.23 21.81 68.91 21.46 24.61 67.57 20.97 25.74 67.69 22.21 23.98 68.72 23.70 23.89 68.36 3 0 8.56-999 ?-999 ?-999 ? MN MN A 204 mASN~A 48 21.37 23.87 66.47 21.81 22.97 66.56 19.25 24.67 65.43 18.77 25.64 64.83 20.70 24.31 65.25 20.81 23.24 64.17 2 0 7.96-999 ?-999 ?-999 ? MN MN A 204 mASP~A 49 18.54 23.91 66.25 19.03 23.16 66.68 17.00 25.49 67.26 15.98 26.17 67.22 17.13 24.21 66.46 16.42 23.06 67.18 2 0 10.19-999 ?-999 ?-999 ? MN MN A 204 mGLY~A 50 18.06 25.84 67.99 18.84 25.22 67.96 19.16 27.25 69.68 19.47 26.37 70.47 17.99 27.06 68.76-999.99-999.99-999.99 1 0 8.40-999 ?-999 ?-999 ? MN MN A 204 mHIS^A 51 19.82 28.41 69.58 19.47 29.03 68.88 21.01 30.20 70.74 20.35 31.00 70.07 20.95 28.72 70.44 22.28 28.28 69.81 3 0 -6.80-999 ?-999 ?-999 ? MN MN A 204s mILE^A 52 21.81 30.55 71.74 22.27 29.78 72.19 22.63 32.69 71.01 23.57 32.20 70.36 21.99 31.93 72.15 22.86 32.03 73.42 3 0 7.36-999 ?-999 ?-999 ? MN MN A 204 mMETA 53 22.11 33.88 70.74 21.36 34.16 71.33 24.14 34.90 69.76 24.61 35.46 70.75 22.63 34.70 69.65 21.92 36.05 69.64 2 0 5.74-999 ?-999 ?-999 ? MN MN A 204 mGLY.A 54 24.89 34.46 68.75 24.38 34.02 68.01 27.13 33.39 69.24 28.33 33.27 68.96 26.34 34.61 68.77-999.99-999.99-999.99 1 0 5.28-999 ?-999 ?-999 ? MN MN A 204 mALA.A 55 26.46 32.48 69.95 25.50 32.68 70.11 27.71 30.42 69.32 27.16 30.36 68.21 27.14 31.27 70.43 26.18 30.42 71.28 2 0 6.12-999 ?-999 ?-999 ? MN MN A 204 mMETA 56 28.83 29.77 69.61 29.18 29.95 70.53 29.09 27.46 69.07 28.90 27.18 70.25 29.47 28.88 68.67 30.99 29.02 68.72 2 0 6.94-999 ?-999 ?-999 ? MN MN A 204 mALA.A 57 28.99 26.58 68.10 29.17 26.94 67.18 29.87 24.41 68.74 30.70 24.15 67.88 28.63 25.19 68.38 27.95 24.56 67.17 2 0 8.42-999 ?-999 ?-999 ? MN MN A 204 mMETA 58 30.01 24.06 70.00 29.30 24.38 70.62 30.65 22.11 71.22 30.79 22.09 72.45 31.16 23.26 70.40 32.17 24.07 71.21 2 0 12.06-999 ?-999 ?-999 ? MN MN A 204 mPRO~A 59 30.00 21.15 70.55 29.91 21.29 69.56 30.60 19.41 72.14 31.75 19.33 71.75 29.48 19.99 71.28 29.00 19.04 70.17 3 0 14.12-999 ?-999 ?-999 ? MN MN A 204 mILE~A 60 30.21 19.05 73.35 29.23 19.17 73.49 32.02 17.37 74.00 33.13 17.28 74.53 31.10 18.54 74.37 30.24 18.23 75.62 3 0 17.39-999 ?-999 ?-999 ? MN MN A 204 mGLU~A 61 31.60 16.51 73.09 30.69 16.71 72.71 33.78 15.79 72.11 34.76 15.05 72.22 32.43 15.36 72.69 31.69 14.48 71.68 2 0 19.67-999 ?-999 ?-999 ? MN MN A 204 mASP~A 62 33.83 16.97 71.50 32.96 17.47 71.49 35.39 18.90 71.30 36.11 19.61 70.60 35.07 17.46 70.89 34.98 17.36 69.37 2 0 18.73-999 ?-999 ?-999 ? MN MN A 204 mLEU~A 63 34.88 19.30 72.46 34.36 18.59 72.94 36.49 21.13 73.15 36.87 22.17 72.63 35.06 20.66 72.98 34.29 20.81 74.28 3 0 17.29-999 ?-999 ?-999 ? MN MN A 204 mVAL~A 64 37.29 20.38 73.88 36.87 19.55 74.25 39.51 20.88 72.79 40.12 21.90 72.54 38.69 20.76 74.09 39.37 19.78 75.06 3 0 20.21-999 ?-999 ?-999 ? MN MN A 204 mASP~A 65 39.50 19.81 71.99 38.98 19.04 72.35 39.79 21.02 69.89 40.64 21.75 69.39 40.19 19.78 70.70 39.76 18.56 69.87 2 0 20.66-999 ?-999 ?-999 ? MN MN A 204 mARG~A 66 38.48 21.24 69.76 37.92 20.56 70.23 38.24 23.73 69.58 38.58 24.64 68.85 37.93 22.35 69.02 36.41 22.18 68.87 2 0 17.02-999 ?-999 ?-999 ? MN MN A 204 mALA~A 67 38.11 23.89 70.88 37.82 23.07 71.38 39.85 25.52 71.43 40.21 26.63 71.02 38.38 25.17 71.51 37.92 25.17 72.97 2 0 16.86-999 ?-999 ?-999 ? MN MN A 204 mSER~A 68 40.70 24.57 71.80 40.27 23.70 72.07 42.72 25.10 70.41 43.77 25.72 70.28 42.14 24.82 71.80 42.88 23.66 72.45 2 0 20.35-999 ?-999 ?-999 ? MN MN A 204 mSER~A 69 42.05 24.65 69.36 41.21 24.15 69.56 41.92 26.17 67.46 42.22 26.57 66.34 42.56 24.91 68.03 42.27 23.73 67.10 2 0 19.81-999 ?-999 ?-999 ? MN MN A 204 mSER.A 70 41.06 26.81 68.24 40.94 26.43 69.16 40.29 29.21 68.65 40.12 30.33 68.18 40.35 27.97 67.74 38.94 27.53 67.37 2 0 16.82-999 ?-999 ?-999 ? MN MN A 204 mLEU.A 71 40.46 29.01 69.95 40.64 28.05 70.19 41.66 30.30 71.72 42.29 29.34 72.15 40.39 30.10 70.91 39.24 29.83 71.89 3 0 17.33-999 ?-999 ?-999 ? MN MN A 204 mGLU.A 72 42.02 31.57 71.93 41.43 32.25 71.50 42.81 31.50 74.17 41.65 31.63 74.56 43.19 31.89 72.74 43.51 33.38 72.65 2 0 20.54-999 ?-999 ?-999 ? MN MN A 204 mLYS.A 73 43.78 31.05 74.96 44.68 31.02 74.53 43.17 31.78 77.27 42.62 31.56 78.37 43.51 30.63 76.33 44.71 29.86 76.89 2 0 22.42-999 ?-999 ?-999 ? MN MN A 204 mSER.A 74 43.49 32.99 76.85 43.92 33.02 75.95 41.82 34.76 77.36 41.34 35.62 78.11 43.21 34.18 77.64 44.26 35.24 77.35 2 0 22.99-999 ?-999 ?-999 ? MN MN A 204 mARG.A 75 41.18 34.30 76.29 41.68 33.60 75.78 38.77 34.53 76.96 38.72 33.43 77.52 39.85 34.81 75.92 39.42 34.17 74.60 2 0 19.36-999 ?-999 ?-999 ? MN MN A 204 mASP^A 76 37.92 35.53 77.23 38.11 36.37 76.73 35.83 34.40 77.51 35.35 34.67 76.40 36.83 35.35 78.18 36.13 36.68 78.50 2 0 18.63-999 ?-999 ?-999 ? MN MN A 204 mILE^A 77 35.51 33.31 78.19 35.94 33.23 79.09 33.40 32.03 78.56 33.56 31.83 79.76 34.58 32.34 77.63 35.33 31.02 77.30 3 0 16.33-999 ?-999 ?-999 ? MN MN A 204 mTYR^A 78 32.20 32.01 77.97 32.23 32.23 76.99 30.50 30.39 78.11 30.41 30.23 76.89 30.98 31.70 78.69 29.95 32.80 78.46 3 0 15.21-999 ?-999 ?-999 ? MN MN A 204 mVAL^A 79 30.20 29.43 78.98 30.30 29.69 79.94 28.38 27.75 79.05 28.00 28.14 80.15 29.76 28.12 78.52 30.77 27.02 78.96 3 0 14.93-999 ?-999 ?-999 ? MN MN A 204 mTYR^A 80 27.62 27.01 78.24 28.03 26.81 77.35 26.00 25.28 77.89 26.34 25.15 76.72 26.31 26.55 78.66 25.23 27.62 78.42 3 0 14.59-999 ?-999 ?-999 ? MN MN A 204 mGLY.A 81 25.37 24.33 78.57 25.18 24.56 79.53 23.52 22.86 78.28 22.83 23.81 78.66 24.99 23.07 77.96-999.99-999.99-999.99 1 0 15.40-999 ?-999 ?-999 ? MN MN A 204 mALA.A 82 23.04 21.62 78.17 23.72 20.94 77.89 21.23 21.46 79.89 20.05 21.70 80.20 21.63 21.33 78.42 21.30 19.92 77.91 2 0 16.94-999 ?-999 ?-999 ? MN MN A 204 mGLY~A 83 22.18 21.31 80.79 23.09 21.10 80.43 23.09 21.77 83.01 24.19 21.87 82.44 21.86 21.43 82.21-999.99-999.99-999.99 1 0 19.97-999 ?-999 ?-999 ? MN MN A 204 mASP~A 84 22.95 21.93 84.32 22.02 21.80 84.66 25.22 21.23 85.08 26.40 21.60 85.08 24.09 22.26 85.16 23.64 22.44 86.61 2 0 22.07-999 ?-999 ?-999 ? MN MN A 204 mGLU~A 85 24.88 19.95 85.02 23.90 19.77 85.03 26.73 19.04 83.68 27.96 19.05 83.74 25.90 18.92 84.96 25.27 17.53 85.01 2 0 23.57-999 ?-999 ?-999 ? MN MN A 204 mGLN~A 86 26.07 19.13 82.53 25.08 19.12 82.60 27.63 20.53 81.21 28.76 20.55 80.70 26.81 19.24 81.28 25.86 19.17 80.09 2 0 20.47-999 ?-999 ?-999 ? MN MN A 204 mTHR~A 87 27.06 21.61 81.73 26.15 21.46 82.10 28.99 22.83 82.62 30.08 23.25 82.20 27.76 22.89 81.74 26.87 24.00 82.28 2 0 19.07-999 ?-999 ?-999 ? MN MN A 204 mSER~A 88 28.84 22.30 83.83 27.93 21.97 84.06 31.07 21.32 84.16 32.26 21.57 84.32 29.99 22.23 84.74 29.57 21.75 86.14 2 0 22.48-999 ?-999 ?-999 ? MN MN A 204 mGLN~A 89 30.66 20.26 83.46 29.67 20.16 83.40 32.41 20.08 81.75 33.63 19.98 81.65 31.62 19.35 82.85 30.89 18.14 82.28 2 0 22.78-999 ?-999 ?-999 ? MN MN A 204 mALA~A 90 31.70 20.83 80.91 30.71 20.83 81.07 33.35 22.58 80.46 34.49 22.69 80.01 32.36 21.58 79.85 31.32 22.31 79.01 2 0 19.58-999 ?-999 ?-999 ? MN MN A 204 mVAL~A 91 32.91 23.29 81.50 31.97 23.10 81.78 35.05 23.60 82.72 36.16 24.17 82.60 33.78 24.25 82.17 33.03 24.98 83.31 3 0 20.89-999 ?-999 ?-999 ? MN MN A 204 mASN~A 92 34.92 22.43 83.34 33.98 22.08 83.38 37.04 21.35 82.78 38.26 21.55 82.91 36.08 21.74 83.89 35.66 20.48 84.64 2 0 24.31-999 ?-999 ?-999 ? MN MN A 204 mLEU~A 93 36.50 20.81 81.69 35.51 20.73 81.73 38.20 21.51 80.00 39.42 21.37 79.92 37.31 20.39 80.54 36.42 19.87 79.41 3 0 23.14-999 ?-999 ?-999 ? MN MN A 204 mLEU~A 94 37.57 22.63 79.64 36.58 22.62 79.78 39.43 24.25 79.99 40.52 24.55 79.50 38.31 23.76 79.09 37.34 24.90 78.77 3 0 21.37-999 ?-999 ?-999 ? MN MN A 204 mARG~A 95 39.17 24.33 81.29 38.24 24.05 81.53 41.30 23.80 82.38 42.47 24.19 82.45 40.16 24.80 82.27 39.52 24.97 83.65 2 0 24.42-999 ?-999 ?-999 ? MN MN A 204 mSER~A 96 40.96 22.52 82.40 39.98 22.33 82.35 42.83 21.54 81.24 43.94 21.02 81.21 41.99 21.48 82.50 41.35 20.09 82.65 2 0 26.87-999 ?-999 ?-999 ? MN MN A 204 mALA~A 97 42.31 22.19 80.21 41.40 22.59 80.38 43.85 23.58 78.89 44.48 23.87 77.87 43.02 22.31 78.94 42.04 22.30 77.79 2 0 25.16-999 ?-999 ?-999 ? MN MN A 204 mGLY.A 98 43.87 24.33 79.99 43.31 24.01 80.76 43.92 26.85 79.82 44.53 27.91 79.95 44.66 25.54 79.99-999.99-999.99-999.99 1 0 26.06-999 ?-999 ?-999 ? MN MN A 204 mPHE.A 99 42.63 26.81 79.51 42.24 25.90 79.41 41.78 28.74 80.73 41.51 28.08 81.74 41.87 28.06 79.36 40.49 27.76 78.78 3 0 23.02-999 ?-999 ?-999 ? MN MN A 204 mGLU.A 100 42.02 30.05 80.75 42.17 30.45 79.85 40.84 31.61 82.46 40.74 31.94 83.63 42.06 30.80 82.00 43.25 31.74 81.97 2 0 24.64-999 ?-999 ?-999 ? MN MN A 204 mHIS.A 101 39.94 31.96 81.55 40.12 31.64 80.62 37.51 32.10 81.44 36.94 32.53 80.45 38.78 32.74 81.95 38.86 34.16 81.38 3 0 22.36-999 ?-999 ?-999 ? MN MN A 204 mVAL^A 102 37.06 31.05 82.12 37.61 30.79 82.92 34.86 30.37 82.84 35.22 30.20 84.00 35.86 30.38 81.70 36.15 28.93 81.26 3 0 20.35-999 ?-999 ?-999 ? MN MN A 204 mSER^A 103 33.60 30.58 82.50 33.45 30.71 81.52 31.31 29.96 82.89 31.13 29.92 81.67 32.55 30.59 83.49 32.25 32.04 83.93 2 0 20.23-999 ?-999 ?-999 ? MN MN A 204 mGLU^A 104 30.45 29.44 83.77 30.73 29.52 84.72 28.22 29.94 83.11 28.43 31.07 83.55 29.21 28.82 83.34 28.66 27.90 84.43 2 0 19.11-999 ?-999 ?-999 ? MN MN A 204 mLEU.A 105 27.15 29.64 82.39 27.14 28.70 82.04 24.94 29.99 82.96 24.24 29.10 82.48 26.08 30.59 82.15 25.72 30.66 80.66 3 0 17.17-999 ?-999 ?-999 ? MN MN A 204 mLYS.A 106 24.79 30.44 84.20 25.44 31.15 84.47 22.39 29.90 84.37 22.00 30.87 83.73 23.74 29.92 85.08 23.65 30.77 86.35 2 0 20.03-999 ?-999 ?-999 ? MN MN A 204 mGLY~A 107 21.69 28.78 84.46 22.13 28.04 84.98 20.38 28.31 82.38 19.34 27.89 81.85 20.38 28.68 83.85-999.99-999.99-999.99 1 0 19.31-999 ?-999 ?-999 ? MN MN A 204 mGLY~A 108 21.52 28.46 81.72 22.27 28.83 82.26 20.65 28.86 79.42 20.26 30.00 79.70 21.61 28.11 80.32-999.99-999.99-999.99 1 0 15.78-999 ?-999 ?-999 ? MN MN A 204 mLEU~A 109 20.25 28.21 78.33 20.63 27.29 78.24 18.05 29.33 78.01 17.65 30.49 77.79 19.33 28.80 77.36 18.96 27.76 76.31 3 0 13.43-999 ?-999 ?-999 ? MN MN A 204 mALA~A 110 17.40 28.48 78.80 17.84 27.58 78.89 16.25 30.16 80.21 15.36 31.02 80.08 16.15 28.83 79.47 15.73 27.73 80.44 2 0 16.63-999 ?-999 ?-999 ? MN MN A 204 mALA~A 111 17.30 30.32 81.01 17.94 29.55 81.02 17.67 32.74 80.87 17.29 33.86 81.21 17.47 31.54 81.78 18.65 31.41 82.74 2 0 17.94-999 ?-999 ?-999 ? MN MN A 204 mTRP~A 112 18.28 32.49 79.71 18.52 31.53 79.56 17.28 34.05 78.11 17.06 35.26 77.95 18.57 33.55 78.75 19.56 33.03 77.69 3 0 14.86-999 ?-999 ?-999 ? MN MN A 204 mLYS~A 113 16.40 33.12 77.75 16.70 32.18 77.92 14.30 34.26 78.18 13.72 35.30 77.88 15.13 33.48 77.15 14.38 32.22 76.73 2 0 15.15-999 ?-999 ?-999 ? MN MN A 204 mALA~A 114 14.25 33.73 79.39 14.78 32.89 79.51 13.73 35.87 80.58 12.80 36.63 80.84 13.49 34.36 80.46 13.80 33.68 81.78 2 0 18.88-999 ?-999 ?-999 ? MN MN A 204 mILE~A 115 14.97 36.31 80.41 15.65 35.61 80.20 15.22 38.48 79.21 15.75 39.58 79.10 15.28 37.73 80.54 16.67 37.96 81.18 3 0 18.83-999 ?-999 ?-999 ? MN MN A 204 mGLY.A 116 14.60 37.87 78.21 14.24 36.96 78.43 15.60 38.35 75.91 15.57 38.98 74.85 14.47 38.50 76.91-999.99-999.99-999.99 1 0 16.77-999 ?-999 ?-999 ? MN MN A 204 mGLY.A 117 16.60 37.53 76.22 16.52 37.06 77.11 17.30 36.67 73.99 16.58 35.67 74.01 17.71 37.35 75.29-999.99-999.99-999.99 1 0 13.37-999 ?-999 ?-999 ? MN MN A 204 mPRO.A 118 17.74 37.19 72.83 18.31 38.00 72.95 17.94 35.23 71.28 18.99 34.84 71.78 17.42 36.64 71.51 18.09 37.63 70.55 3 0 10.59-999 ?-999 ?-999 ? MN MN A 204 mTHR^A 119 17.20 34.46 70.49 16.36 34.89 70.15 17.56 32.93 68.66 16.56 33.24 68.02 17.59 33.11 70.16 16.65 32.09 70.80 2 0 8.40-999 ?-999 ?-999 ? MN MN A 204 mGLU^A 120 18.66 32.43 68.09 19.41 32.24 68.72 18.69 30.71 66.33 19.19 29.88 67.10 18.71 32.21 66.66 19.94 32.89 66.05 2 0 -5.67-999 ?-999 ?-999 ? MN MN A 204s mGLY^A 121 18.09 30.37 65.20 17.71 31.13 64.67 18.32 28.79 63.32 18.06 29.68 62.51 18.03 28.98 64.79-999.99-999.99-999.99 1 0 6.61-999 ?-999 ?-999 ? MN MN A 204 mILE^A 122 18.87 27.62 63.00 19.01 27.02 63.78 18.13 26.39 61.01 17.46 25.63 61.72 19.22 27.26 61.63 20.57 26.49 61.60 3 0 7.36-999 ?-999 ?-999 ? MN MN A 204 mILE.A 123 17.96 26.49 59.69 18.59 27.12 59.25 17.42 25.22 57.64 16.91 24.22 57.11 16.93 25.74 58.99 15.70 26.63 58.74 3 0 11.07-999 ?-999 ?-999 ? MN MN A 204 mVAL~A 137 24.59 20.58 54.49 24.61 19.78 53.89 25.26 21.47 56.71 25.41 22.35 57.55 24.55 21.74 55.37 23.07 22.23 55.56 3 0 13.80-999 ?-999 ?-999 ? MN MN A 204 mSER~A 138 25.72 20.23 56.88 25.49 19.60 56.13 27.91 19.89 57.49 28.90 19.99 58.23 26.49 19.85 58.05 26.13 18.43 58.52 2 0 13.84-999 ?-999 ?-999 ? MN MN A 204 mARG~A 139 27.98 19.83 56.17 27.08 19.74 55.73 29.70 21.33 55.33 30.90 21.59 55.30 29.22 19.88 55.40 28.99 19.35 53.99 2 0 15.98-999 ?-999 ?-999 ? MN MN A 204 mMETA 140 28.75 22.27 55.27 27.81 21.93 55.26 29.67 24.00 56.60 30.71 24.65 56.73 29.11 23.69 55.24 27.89 24.58 55.03 2 0 13.55-999 ?-999 ?-999 ? MN MN A 204 mGLN~A 141 28.97 23.53 57.63 28.15 23.02 57.35 30.66 23.09 59.42 31.45 23.71 60.13 29.34 23.74 59.02 28.23 23.24 59.95 2 0 11.17-999 ?-999 ?-999 ? MN MN A 204 mASN~A 142 30.91 21.86 59.00 30.20 21.44 58.43 33.33 21.83 58.59 34.34 22.19 59.17 32.16 21.22 59.37 32.12 19.71 59.12 2 0 14.27-999 ?-999 ?-999 ? MN MN A 204 mHIS~A 143 33.17 21.93 57.28 32.31 21.58 56.93 34.61 23.86 57.08 35.79 24.19 57.15 34.22 22.52 56.46 33.71 22.74 55.03 3 0 16.05-999 ?-999 ?-999 ? MN MN A 204 mLEU~A 144 33.59 24.59 57.54 32.71 24.13 57.41 35.03 26.36 58.78 35.03 27.45 59.39 33.70 25.92 58.17 32.60 26.07 59.21 3 0 13.09-999 ?-999 ?-999 ? MN MN A 204 mSER.B 20 25.83 36.80 40.49 25.67 37.78 40.64 24.93 34.45 40.75 23.90 34.92 41.22 26.07 35.35 40.26 27.37 34.92 40.93 2 0 24.54-999 ?-999 ?-999 ? MN MN B 202 mASP~B 21 25.17 33.15 40.66 26.08 32.94 40.30 24.39 31.63 42.46 25.50 31.58 42.96 24.19 32.13 41.03 24.34 30.95 40.05 2 0 24.10-999 ?-999 ?-999 ? MN MN A 204 mALA~B 22 23.30 31.26 43.11 22.44 31.36 42.60 24.21 29.46 44.52 24.72 29.09 45.58 23.37 30.75 44.47 21.98 30.48 45.00 2 0 20.67-999 ?-999 ?-999 ? MN MN A 204 mHIS~B 23 24.33 28.78 43.39 23.86 29.18 42.60 26.58 27.80 43.61 27.25 27.02 44.28 25.11 27.54 43.33 24.96 26.86 41.96 3 0 22.17-999 ?-999 ?-999 ? MN MN A 204 mVAL~B 24 27.09 28.92 43.10 26.45 29.49 42.57 28.75 29.47 44.79 29.74 28.97 45.32 28.48 29.24 43.32 28.91 30.48 42.52 3 0 22.34-999 ?-999 ?-999 ? MN MN A 204 mLEU~B 25 27.87 30.21 45.46 27.11 30.56 44.91 27.91 29.20 47.69 28.65 28.99 48.65 28.04 30.48 46.89 27.00 31.50 47.39 3 0 18.67-999 ?-999 ?-999 ? MN MN A 204 mLYS~B 26 26.97 28.34 47.33 26.42 28.62 46.54 28.10 26.28 47.99 28.45 25.59 48.94 26.80 27.08 48.04 25.63 26.28 47.45 2 0 17.84-999 ?-999 ?-999 ? MN MN A 204 mSER~B 27 28.82 26.41 46.88 28.42 27.00 46.18 31.23 26.38 47.48 32.13 25.71 48.00 30.09 25.70 46.72 30.45 25.58 45.24 2 0 20.19-999 ?-999 ?-999 ? MN MN A 204 mARG~B 28 31.20 27.71 47.56 30.45 28.15 47.08 32.15 28.00 49.77 33.16 27.86 50.43 32.24 28.42 48.30 32.03 29.95 48.22 2 0 18.92-999 ?-999 ?-999 ? MN MN A 204 mLEU~B 29 30.92 27.81 50.26 30.19 27.96 49.60 30.94 25.94 51.95 31.34 25.57 53.06 30.70 27.42 51.66 29.27 27.76 52.10 3 0 15.52-999 ?-999 ?-999 ? MN MN A 204 mGLU~B 30 30.69 25.09 50.96 30.36 25.52 50.12 32.33 23.26 50.85 32.84 22.32 51.46 30.89 23.66 51.13 30.01 22.88 50.15 2 0 17.41-999 ?-999 ?-999 ? MN MN A 204 mTRP~B 31 32.99 23.99 49.96 32.48 24.79 49.61 35.40 24.70 49.44 36.59 24.38 49.32 34.33 23.64 49.54 34.26 23.03 48.16 3 0 20.22-999 ?-999 ?-999 ? MN MN A 204 mGLY~B 32 35.03 25.97 49.46 34.05 26.14 49.63 36.84 27.55 50.39 37.20 26.88 51.37 36.04 26.97 49.26-999.99-999.99-999.99 1 0 20.35-999 ?-999 ?-999 ? MN MN A 204 mGLU.B 33 37.16 28.83 50.20 36.86 29.22 49.33 36.81 30.45 51.79 35.73 30.56 51.23 37.87 29.56 51.19 38.99 30.36 50.52 2 0 19.67-999 ?-999 ?-999 ? MN MN A 204 mPRO.B 34 37.06 30.99 52.98 37.95 30.69 53.31 36.71 33.32 53.34 36.73 34.25 54.15 36.23 31.91 53.75 36.63 31.63 55.18 3 0 16.61-999 ?-999 ?-999 ? MN MN A 204 mALA.B 35 37.04 33.48 52.07 36.97 32.65 51.53 36.31 35.59 51.03 36.51 36.46 50.19 37.47 34.75 51.52 38.47 34.49 50.35 2 0 19.33-999 ?-999 ?-999 ? MN MN A 204 mPHE^B 36 35.12 35.34 51.55 35.10 34.63 52.26 33.01 36.58 52.17 32.99 36.09 53.29 33.96 36.09 51.10 33.18 35.26 50.07 3 0 17.73-999 ?-999 ?-999 ? MN MN A 204 mTHR^B 37 32.19 37.57 51.82 32.32 37.90 50.88 29.85 38.17 52.04 29.77 38.48 50.85 31.20 38.12 52.75 31.60 39.54 53.22 2 0 15.71-999 ?-999 ?-999 ? MN MN A 204 mILE^B 38 28.79 37.84 52.78 29.00 37.61 53.73 26.64 38.97 52.86 26.54 39.05 54.08 27.44 37.83 52.23 26.75 36.50 52.53 3 0 14.73-999 ?-999 ?-999 ? MN MN A 204 mLEU^B 39 26.07 39.83 52.03 26.24 39.64 51.06 23.78 40.90 52.18 23.40 40.84 51.02 25.28 40.97 52.51 25.83 42.29 51.95 3 0 15.31-999 ?-999 ?-999 ? MN MN B 202 mASP^B 40 22.94 40.89 53.21 23.41 40.89 54.10 21.11 42.36 53.10 21.16 42.99 54.15 21.49 40.87 53.04 20.82 40.12 54.19 2 0 12.61-999 ?-999 ?-999 ? MN MN B 202 mVAL.B 41 20.72 42.91 51.97 20.66 42.29 51.18 18.94 44.69 52.16 18.56 45.84 52.00 20.41 44.32 51.92 20.91 44.89 50.57 3 0 9.73-999 ?-999 ?-999 ? MN MN B 202 mARG.B 42 18.14 43.70 52.58 18.61 42.83 52.68 16.40 44.58 54.19 17.29 44.89 54.97 16.71 43.90 52.85 15.96 42.56 52.82 2 0 7.57-999 ?-999 ?-999 ? MN MN B 202 mASP~B 43 15.11 44.80 54.42 14.52 44.50 53.67 15.09 44.58 56.84 15.06 43.34 56.81 14.61 45.41 55.64 13.09 45.47 55.56 2 0 5.16-999 ?-999 ?-999 ? MN MN B 202 mARG~B 44 15.53 45.26 57.89 15.46 46.26 57.78 15.16 43.53 59.68 15.65 42.49 60.12 16.05 44.62 59.08 16.36 45.67 60.15 2 0 7.54-999 ?-999 ?-999 ? MN MN B 202 mSER~B 45 13.86 43.78 59.72 13.59 44.67 59.34 12.88 41.56 59.41 12.78 40.45 59.92 12.93 42.81 60.27 11.53 43.42 60.38 2 0 9.25-999 ?-999 ?-999 ? MN MN B 202 mTHR~B 46 12.93 41.75 58.10 13.00 42.70 57.81 14.12 39.76 57.43 14.03 38.53 57.50 12.88 40.62 57.18 12.87 41.10 55.73 2 0 10.03-999 ?-999 ?-999 ? MN MN B 202 mTYR~B 47 15.27 40.42 57.58 15.18 41.41 57.49 16.36 38.84 59.06 16.66 37.65 59.01 16.52 39.74 57.85 17.62 40.76 58.13 3 0 11.44-999 ?-999 ?-999 ? MN MN B 202 mASN~B 48 15.90 39.44 60.16 15.70 40.41 60.04 14.80 37.52 61.29 15.00 36.52 61.98 15.70 38.74 61.42 15.11 39.67 62.48 2 0 11.69-999 ?-999 ?-999 ? MN MN A 204 mASP~B 49 13.80 37.61 60.41 13.74 38.48 59.92 13.54 35.37 59.41 13.09 34.22 59.44 12.90 36.49 60.21 11.61 36.98 59.54 2 0 13.23-999 ?-999 ?-999 ? MN MN A 204 mGLY~B 50 14.61 35.69 58.69 14.90 36.64 58.74 16.23 35.23 56.90 15.82 36.02 56.04 15.27 34.66 57.92-999.99-999.99-999.99 1 0 11.83-999 ?-999 ?-999 ? MN MN A 204 mHIS^B 51 17.50 34.85 57.01 17.69 34.24 57.78 19.40 34.14 55.69 19.33 33.08 56.32 18.50 35.31 56.07 19.34 36.46 56.66 3 0 11.31-999 ?-999 ?-999 ? MN MN A 204 mILE^B 52 20.23 34.32 54.67 20.18 35.21 54.23 22.13 33.11 55.41 22.59 34.12 55.95 21.12 33.25 54.27 21.84 33.59 52.97 3 0 11.38-999 ?-999 ?-999 ? MN MN A 204 mMETB 53 22.46 31.87 55.77 22.02 31.15 55.23 24.73 32.32 56.76 25.46 32.14 55.79 23.38 31.61 56.87 23.63 30.11 57.02 2 0 8.28-999 ?-999 ?-999 ? MN MN A 204 mGLY.B 54 25.05 33.13 57.76 24.38 33.19 58.49 26.21 35.25 57.19 27.14 36.04 57.32 26.32 33.84 57.74-999.99-999.99-999.99 1 0 8.05-999 ?-999 ?-999 ? MN MN A 204 mALA.B 55 25.07 35.58 56.58 24.39 34.84 56.55 24.90 38.01 57.03 24.48 37.84 58.17 24.85 36.90 56.00 23.51 36.93 55.27 2 0 10.61-999 ?-999 ?-999 ? MN MN A 204 mMETB 56 25.42 39.16 56.64 25.78 39.18 55.71 24.23 41.12 57.18 23.86 41.19 56.01 25.44 40.29 57.56 26.70 41.14 57.37 2 0 11.66-999 ?-999 ?-999 ? MN MN A 204 mALA.B 57 23.61 41.75 58.16 23.99 41.60 59.07 22.89 43.99 57.47 23.47 44.72 58.28 22.44 42.58 57.88 21.55 42.64 59.10 2 0 12.25-999 ?-999 ?-999 ? MN MN B 202 mMETB 58 22.63 44.37 56.22 22.18 43.67 55.66 21.91 46.30 54.83 22.01 46.25 53.61 22.97 45.69 55.73 24.31 45.66 54.99 2 0 10.63-999 ?-999 ?-999 ? MN MN B 202 mPRO.B 59 20.85 46.89 55.42 20.89 46.85 56.42 20.30 48.53 53.63 21.17 49.32 53.96 19.76 47.52 54.66 18.94 48.19 55.76 3 0 6.93-999 ?-999 ?-999 ? MN MN B 202 mILE.B 60 19.79 48.50 52.39 19.06 47.83 52.27 20.44 50.81 51.79 21.38 51.51 51.44 20.28 49.39 51.33 19.34 49.44 50.10 3 0 7.81-999 ?-999 ?-999 ? MN MN B 202 mGLU.B 61 19.48 51.23 52.58 18.79 50.53 52.77 20.74 52.95 53.85 21.13 54.12 53.85 19.43 52.56 53.13 18.19 52.60 54.04 2 0 -6.61-999 ?-999 ?-999 ? MN MN B 202s mASP~B 62 21.44 51.96 54.40 21.04 51.05 54.27 23.88 51.43 54.58 24.99 51.50 55.11 22.69 52.20 55.14 22.51 51.77 56.59 2 0 9.40-999 ?-999 ?-999 ? MN MN B 202 mLEU~B 63 23.64 50.68 53.52 22.70 50.76 53.17 26.06 50.38 52.69 27.03 49.82 53.17 24.66 49.83 52.91 24.13 49.29 51.58 3 0 11.40-999 ?-999 ?-999 ? MN MN B 202 mVAL~B 64 26.19 51.46 51.93 25.34 51.88 51.61 28.28 52.52 52.84 29.49 52.34 52.95 27.53 51.95 51.63 27.53 52.92 50.40 3 0 14.55-999 ?-999 ?-999 ? MN MN B 202 mASP~B 65 27.57 53.15 53.76 26.59 53.22 53.55 28.66 52.57 55.85 29.74 52.63 56.41 28.19 53.69 54.96 27.22 54.52 55.79 2 0 15.09-999 ?-999 ?-999 ? MN MN B 202 mARG~B 66 27.81 51.55 55.99 26.96 51.64 55.48 29.18 49.51 56.24 29.96 48.89 56.95 28.14 50.43 56.85 26.89 49.65 57.18 2 0 14.79-999 ?-999 ?-999 ? MN MN B 202 mALA~B 67 29.22 49.43 54.93 28.56 50.00 54.44 31.56 49.17 54.17 32.56 48.54 54.51 30.19 48.55 54.29 29.69 48.15 52.92 2 0 16.84-999 ?-999 ?-999 ? MN MN B 202 mSER~B 68 31.62 50.39 53.68 30.74 50.81 53.45 33.66 51.18 54.82 34.89 51.23 54.83 32.91 51.03 53.50 32.75 52.40 52.81 2 0 19.52-999 ?-999 ?-999 ? MN MN B 202 mSER~B 69 32.94 51.20 55.94 31.95 51.14 55.81 33.75 49.95 57.89 34.25 49.85 59.01 33.60 51.32 57.24 32.79 52.21 58.17 2 0 20.28-999 ?-999 ?-999 ? MN MN B 202 mSER.B 70 33.34 48.90 57.18 32.98 49.11 56.27 34.15 46.54 56.88 34.70 45.56 57.39 33.42 47.57 57.75 32.00 47.09 58.07 2 0 19.97-999 ?-999 ?-999 ? MN MN A 204 mLEU.B 71 34.16 46.76 55.58 33.70 47.59 55.28 35.91 46.40 53.80 35.83 47.55 53.35 34.82 45.81 54.68 33.80 45.12 53.77 3 0 20.69-999 ?-999 ?-999 ? MN MN A 204 mGLU.B 72 36.94 45.60 53.56 36.88 44.71 54.02 37.40 45.96 51.29 36.76 44.98 50.91 38.03 45.99 52.69 39.17 44.99 52.77 2 0 23.62-999 ?-999 ?-999 ? MN MN A 204 mLYS.B 73 37.58 47.03 50.53 38.12 47.76 50.95 37.47 46.02 48.22 36.92 45.90 47.12 37.00 47.11 49.20 37.25 48.51 48.64 2 0 24.46-999 ?-999 ?-999 ? MN MN B 202 mSER.B 74 38.46 45.22 48.60 38.81 45.40 49.52 38.39 42.79 48.10 38.76 41.76 47.52 38.95 44.17 47.71 40.47 44.11 47.76 2 0 26.14-999 ?-999 ?-999 ? MN MN A 204 mARG.B 75 37.49 42.80 49.07 37.29 43.72 49.41 35.78 41.03 48.67 34.99 41.79 48.12 36.85 41.59 49.60 36.22 41.96 50.94 2 0 22.46-999 ?-999 ?-999 ? MN MN A 204 mASP^B 76 35.76 39.71 48.48 36.49 39.20 48.95 33.42 39.27 48.41 33.29 38.82 49.55 34.73 39.11 47.64 35.01 37.62 47.38 2 0 -21.81-999 ?-999 ?-999 ? MN MN A 204s mILE^B 77 32.45 39.90 47.76 32.69 40.16 46.82 29.97 39.72 47.53 29.92 39.95 46.32 31.15 40.19 48.36 30.99 41.72 48.56 3 0 20.14-999 ?-999 ?-999 ? MN MN A 204 mTYR^B 78 29.03 39.06 48.19 29.22 38.91 49.16 26.66 39.39 48.12 26.50 39.47 49.34 27.82 38.60 47.51 27.62 37.10 47.73 3 0 19.33-999 ?-999 ?-999 ? MN MN A 204 mVAL^B 79 25.86 39.99 47.25 26.09 39.84 46.29 23.38 40.31 47.22 23.25 39.84 46.10 24.74 40.79 47.70 24.93 42.25 47.24 3 0 16.51-999 ?-999 ?-999 ? MN MN B 202 mTYR^B 80 22.39 40.39 48.11 22.67 40.71 49.01 20.01 40.94 48.52 20.24 41.36 49.66 21.01 40.04 47.78 20.70 38.55 48.06 3 0 14.71-999 ?-999 ?-999 ? MN MN B 202 mGLY.B 81 18.92 41.26 47.83 18.89 40.88 46.90 16.52 41.44 48.13 16.46 40.24 47.83 17.87 42.10 48.38-999.99-999.99-999.99 1 0 11.49-999 ?-999 ?-999 ? MN MN B 202 mALA.B 82 15.45 42.21 48.24 15.63 43.17 48.45 13.96 40.99 46.70 13.58 39.82 46.63 14.11 41.66 48.05 13.08 42.76 48.22 2 0 11.18-999 ?-999 ?-999 ? MN MN B 202 mGLY~B 83 14.27 41.71 45.63 14.57 42.64 45.82 15.37 41.53 43.44 16.33 42.08 43.95 14.17 41.15 44.29-999.99-999.99-999.99 1 0 14.17-999 ?-999 ?-999 ? MN MN B 202 mASP~B 84 15.32 41.25 42.14 14.47 40.80 41.85 16.80 43.04 41.28 17.97 43.40 41.43 16.43 41.58 41.24 16.08 41.25 39.79 2 0 16.61-999 ?-999 ?-999 ? MN MN B 202 mGLU~B 85 15.80 43.90 41.10 14.89 43.48 41.00 16.73 45.87 42.30 17.68 46.65 42.18 16.03 45.33 41.06 14.72 46.07 40.80 2 0 15.06-999 ?-999 ?-999 ? MN MN B 202 mGLN~B 86 16.29 45.47 43.49 15.54 44.82 43.48 18.34 45.45 44.82 19.25 46.14 45.26 16.93 45.99 44.69 16.13 45.65 45.94 2 0 11.74-999 ?-999 ?-999 ? MN MN B 202 mTHR~B 87 18.51 44.21 44.41 17.69 43.76 44.07 20.83 44.27 43.58 21.93 44.61 44.03 19.82 43.57 44.47 19.71 42.10 44.04 2 0 14.06-999 ?-999 ?-999 ? MN MN B 202 mSER~B 88 20.47 44.51 42.31 19.55 44.22 42.06 21.63 46.62 41.78 22.65 47.22 41.45 21.42 45.16 41.41 20.94 45.04 39.96 2 0 16.59-999 ?-999 ?-999 ? MN MN B 202 mGLN~B 89 20.66 47.20 42.49 19.88 46.61 42.69 21.87 48.61 43.99 22.73 49.51 44.02 20.78 48.58 42.93 19.44 49.05 43.50 2 0 14.23-999 ?-999 ?-999 ? MN MN B 202 mALA~B 90 21.84 47.60 44.86 21.10 46.94 44.70 24.20 47.21 45.34 25.18 47.83 45.74 22.82 47.46 45.93 22.42 46.32 46.86 2 0 13.36-999 ?-999 ?-999 ? MN MN B 202 mVAL~B 91 24.28 46.29 44.40 23.41 45.85 44.16 26.19 47.23 43.21 27.36 47.51 43.47 25.55 45.97 43.78 25.36 44.93 42.66 3 0 17.08-999 ?-999 ?-999 ? MN MN B 202 mASN~B 92 25.42 47.98 42.43 24.49 47.64 42.31 26.35 50.24 42.86 27.32 50.97 42.63 25.92 49.20 41.83 24.88 49.79 40.87 2 0 18.17-999 ?-999 ?-999 ? MN MN B 202 mLEU~B 93 25.65 50.33 43.99 24.88 49.70 44.07 27.43 50.96 45.53 28.31 51.83 45.59 26.05 51.30 45.00 25.04 51.34 46.15 3 0 16.10-999 ?-999 ?-999 ? MN MN B 202 mLEU~B 94 27.65 49.70 45.90 26.87 49.08 45.79 30.04 49.55 45.40 31.10 50.08 45.73 28.94 49.31 46.43 28.92 47.83 46.87 3 0 17.72-999 ?-999 ?-999 ? MN MN B 202 mARG~B 95 29.78 49.19 44.15 28.88 48.77 44.02 31.09 50.86 42.86 32.26 51.22 42.72 30.76 49.39 43.08 30.25 48.81 41.76 2 0 21.03-999 ?-999 ?-999 ? MN MN B 202 mSER~B 96 30.07 51.71 42.82 29.17 51.30 42.93 31.13 53.63 43.81 31.84 54.62 43.72 30.32 53.13 42.62 29.00 53.91 42.51 2 0 21.09-999 ?-999 ?-999 ? MN MN B 202 mALA~B 97 31.02 52.92 44.93 30.41 52.13 44.87 33.15 52.69 46.21 33.83 52.81 47.22 31.74 53.29 46.15 30.94 52.89 47.37 2 0 20.51-999 ?-999 ?-999 ? MN MN B 202 mGLY.B 98 33.57 52.02 45.15 32.92 51.95 44.39 35.08 49.96 45.44 36.21 49.47 45.35 34.90 51.44 45.13-999.99-999.99-999.99 1 0 23.62-999 ?-999 ?-999 ? MN MN B 202 mPHE.B 99 34.03 49.25 45.81 33.17 49.76 45.87 34.42 47.06 44.77 33.57 46.99 43.90 34.17 47.82 46.08 32.93 47.31 46.81 3 0 22.68-999 ?-999 ?-999 ? MN MN B 202 mGLU.B 100 35.62 46.51 44.68 36.17 46.63 45.51 35.62 44.40 43.19 35.75 43.96 42.06 36.12 45.81 43.51 37.64 45.78 43.58 2 0 25.81-999 ?-999 ?-999 ? MN MN B 202 mHIS.B 101 35.07 43.69 44.17 35.03 44.13 45.07 33.20 42.04 44.41 33.03 41.15 45.22 34.59 42.35 43.87 35.60 41.30 44.34 3 0 25.20-999 ?-999 ?-999 ? MN MN B 202 mVAL^B 102 32.22 42.79 43.93 32.51 43.48 43.27 30.07 41.81 43.30 30.18 42.08 42.10 30.84 42.61 44.35 30.14 43.96 44.55 3 0 21.82-999 ?-999 ?-999 ? MN MN B 202 mSER^B 103 29.29 40.83 43.75 29.29 40.72 44.75 27.07 39.92 43.35 26.86 39.85 44.56 28.50 40.02 42.83 29.09 38.61 42.71 2 0 21.95-999 ?-999 ?-999 ? MN MN B 202 mGLU^B 104 26.08 39.94 42.47 26.36 40.03 41.51 24.38 38.35 43.17 24.87 37.47 42.47 24.70 39.83 42.92 23.73 40.39 41.88 2 0 19.59-999 ?-999 ?-999 ? MN MN B 202 mLEU.B 105 23.56 38.08 44.17 23.25 38.87 44.70 21.79 36.58 43.81 20.76 36.75 44.46 23.18 36.71 44.44 23.16 36.48 45.95 3 0 19.82-999 ?-999 ?-999 ? MN MN B 202 mLYS.B 106 21.77 36.30 42.50 22.67 36.18 42.10 19.51 35.25 42.40 19.84 34.11 42.78 20.52 36.18 41.75 20.81 35.74 40.32 2 0 20.67-999 ?-999 ?-999 ? MN MN B 202 mGLY~B 107 18.28 35.73 42.52 18.15 36.66 42.19 17.12 35.08 44.61 16.13 34.65 45.21 17.23 34.93 43.11-999.99-999.99-999.99 1 0 19.87-999 ?-999 ?-999 ? MN MN B 202 mGLY~B 108 18.14 35.70 45.21 18.88 35.97 44.60 17.86 34.74 47.55 18.20 33.58 47.25 18.14 35.93 46.64-999.99-999.99-999.99 1 0 17.35-999 ?-999 ?-999 ? MN MN B 202 mLEU~B 109 17.22 35.05 48.67 16.98 36.01 48.76 16.17 32.83 49.11 16.53 31.68 49.42 16.89 34.05 49.67 16.04 34.68 50.77 3 0 17.24-999 ?-999 ?-999 ? MN MN A 204 mALA~B 110 15.14 33.07 48.30 14.96 34.04 48.14 15.20 31.07 46.83 15.13 29.84 46.95 14.35 31.99 47.71 13.20 32.56 46.92 2 0 19.82-999 ?-999 ?-999 ? MN MN B 202 mALA~B 111 16.01 31.67 45.96 15.96 32.66 45.96 17.80 30.05 45.93 18.09 28.90 45.60 16.88 30.90 45.07 17.70 31.86 44.19 2 0 21.32-999 ?-999 ?-999 ? MN MN A 204 mTRP~B 112 18.26 30.64 47.02 17.93 31.57 47.16 18.50 28.75 48.60 19.14 27.70 48.75 19.16 29.96 47.94 19.66 30.96 48.99 3 0 17.94-999 ?-999 ?-999 ? MN MN A 204 mLYS~B 113 17.24 28.88 48.98 16.84 29.78 48.79 16.20 26.67 48.62 16.42 25.48 48.88 16.52 27.77 49.62 15.20 28.25 50.23 2 0 17.66-999 ?-999 ?-999 ? MN MN A 204 mALA~B 114 15.66 27.07 47.47 15.53 28.06 47.40 16.38 25.08 46.16 16.08 24.01 45.62 15.30 26.12 46.43 14.96 26.87 45.15 2 0 21.35-999 ?-999 ?-999 ? MN MN A 204 mILE~B 115 17.63 25.37 46.53 17.75 26.26 46.96 19.37 23.84 47.55 20.49 23.34 47.50 18.71 24.41 46.30 19.82 25.01 45.41 3 0 20.82-999 ?-999 ?-999 ? MN MN A 204 mGLY.B 116 18.67 23.91 48.68 17.78 24.35 48.60 20.00 24.33 50.76 20.65 23.92 51.73 19.20 23.36 49.91-999.99-999.99-999.99 1 0 17.93-999 ?-999 ?-999 ? MN MN A 204 mGLY.B 117 19.95 25.62 50.41 19.40 25.83 49.61 20.12 26.69 52.60 18.91 26.87 52.77 20.69 26.60 51.20-999.99-999.99-999.99 1 0 15.15-999 ?-999 ?-999 ? MN MN A 204 mPRO.B 118 20.95 26.56 53.64 21.91 26.40 53.40 20.24 28.12 55.44 21.08 28.99 55.18 20.44 26.66 55.01 21.52 25.96 55.82 3 0 11.80-999 ?-999 ?-999 ? MN MN A 204 mTHR^B 119 19.12 28.36 56.10 18.55 27.55 56.26 19.03 29.90 58.05 19.23 28.94 58.79 18.75 29.69 56.56 17.27 29.93 56.26 2 0 10.26-999 ?-999 ?-999 ? MN MN A 204 mGLU^B 120 19.07 31.16 58.47 18.90 31.83 57.74 18.29 32.58 60.21 18.10 33.55 59.47 19.34 31.54 59.85 20.74 32.16 59.97 2 0 7.11-999 ?-999 ?-999 ? MN MN A 204 mGLY^B 121 17.61 32.39 61.34 17.85 31.56 61.85 16.62 33.69 63.24 16.98 32.86 64.08 16.59 33.33 61.76-999.99-999.99-999.99 1 0 8.44-999 ?-999 ?-999 ? MN MN A 204 mILE^B 122 16.24 34.92 63.56 15.98 35.48 62.77 14.87 35.09 65.60 13.87 34.88 64.92 16.21 35.41 64.94 16.46 36.96 65.00 3 0 8.82-999 ?-999 ?-999 ? MN MN A 204 mILE.B 123 14.86 35.04 66.93 15.75 35.21 67.35 13.72 35.47 69.05 13.15 36.55 69.24 13.64 34.77 67.69 13.45 33.24 67.92 3 0 11.27-999 ?-999 ?-999 ? MN MN A 204 mASP~B 133 13.65 46.72 72.21 13.66 47.69 72.43 14.01 45.07 70.42 14.47 43.99 70.04 13.62 45.29 71.89 12.23 44.70 72.18 2 0 17.65-999 ?-999 ?-999 ? MN MN B 202 mTYR~B 134 13.79 46.08 69.59 13.34 46.87 70.00 15.66 46.41 68.26 16.53 45.86 67.58 14.19 46.00 68.19 13.40 46.99 67.34 3 0 13.93-999 ?-999 ?-999 ? MN MN B 202 mASN~B 135 15.92 47.39 69.13 15.10 47.72 69.60 18.20 46.92 70.00 19.36 46.83 69.60 17.25 47.94 69.38 17.15 49.13 70.34 2 0 15.07-999 ?-999 ?-999 ? MN MN B 202 mVAL~B 136 17.71 46.17 70.98 16.76 46.36 71.20 19.20 44.23 70.68 20.42 44.08 70.67 18.53 45.17 71.67 17.67 44.38 72.66 3 0 16.15-999 ?-999 ?-999 ? MN MN A 204 mVAL~B 137 18.38 43.60 69.83 17.41 43.81 69.95 19.83 43.36 67.83 20.87 42.79 67.48 18.89 42.69 68.83 17.72 42.02 68.07 3 0 12.89-999 ?-999 ?-999 ? MN MN A 204 mSER~B 138 19.49 44.57 67.37 18.64 44.94 67.74 21.70 45.62 67.03 22.76 45.55 66.38 20.36 45.25 66.40 19.67 46.50 65.83 2 0 14.28-999 ?-999 ?-999 ? MN MN B 202 mARG~B 139 21.65 45.99 68.30 20.73 45.99 68.68 23.73 45.10 69.15 24.95 45.18 68.98 22.84 46.35 69.07 22.41 46.81 70.46 2 0 15.41-999 ?-999 ?-999 ? MN MN A 204 mMETB 140 23.12 43.94 69.40 22.13 44.01 69.52 24.41 42.26 68.14 25.58 41.90 68.01 23.87 42.69 69.49 23.00 41.57 70.05 2 0 12.01-999 ?-999 ?-999 ? MN MN A 204 mGLN~B 141 23.55 42.31 67.12 22.63 42.62 67.35 25.18 42.75 65.34 26.11 42.21 64.76 23.98 41.92 65.79 22.80 42.03 64.82 2 0 10.44-999 ?-999 ?-999 ? MN MN A 204 mASN~B 142 25.17 44.05 65.63 24.36 44.37 66.12 27.58 44.51 65.97 28.66 44.51 65.37 26.29 44.91 65.26 25.98 46.37 65.57 2 0 13.58-999 ?-999 ?-999 ? MN MN A 204 mHIS~B 143 27.47 44.17 67.25 26.55 44.23 67.64 29.20 42.44 67.47 30.42 42.26 67.41 28.66 43.77 67.99 28.36 43.69 69.50 3 0 13.38-999 ?-999 ?-999 ? MN MN A 204 mLEU~B 144 28.32 41.51 67.10 27.36 41.77 67.21 29.39 40.44 65.18 30.36 39.76 64.83 28.77 40.23 66.56 27.60 39.24 66.45 3 0 9.99-999 ?-999 ?-999 ? MN MN A 204 mGLU~B 145 28.84 41.37 64.41 28.06 41.84 64.81 30.79 42.23 63.16 31.67 41.84 62.40 29.38 41.64 63.08 28.45 42.57 62.29 2 0 11.60-999 ?-999 ?-999 ? MN MN A 204 mASN~B 146 31.00 43.17 64.09 30.19 43.37 64.65 33.36 42.84 64.75 34.56 43.11 64.70 32.30 43.83 64.27 32.20 44.96 65.30 2 0 14.81-999 ?-999 ?-999 ? MN MN A 204 mGLN~B 147 32.89 41.70 65.24 31.90 41.61 65.22 34.05 39.60 64.69 34.67 38.57 64.96 33.78 40.66 65.76 33.12 40.02 66.98 2 0 13.32-999 ?-999 ?-999 ? MN MN A 204 mLYS~B 148 33.58 39.84 63.47 33.09 40.71 63.37 35.21 39.01 61.88 35.76 40.11 61.79 33.78 38.89 62.40 32.77 39.12 61.26 2 0 12.46-999 ?-999 ?-999 ? MN MN A 204 mLYS~B 149 35.80 37.86 61.55 35.23 37.06 61.67 37.53 38.88 60.03 38.53 39.58 60.19 37.17 37.80 61.06 37.46 36.40 60.49 2 0 15.05-999 ?-999 ?-999 ? MN MN A 204 mGLU~B 150 36.72 39.02 58.98 35.92 38.41 58.98 36.85 41.44 58.36 37.61 42.30 57.93 37.01 39.99 57.93 36.15 39.73 56.68 2 0 17.02-999 ?-999 ?-999 ? MN MN A 204 mVAL~B 151 35.85 41.72 59.19 35.28 40.94 59.46 36.84 43.50 60.49 37.25 44.66 60.49 35.64 43.08 59.65 34.36 43.21 60.48 3 0 17.23-999 ?-999 ?-999 ? MN MN A 204 mLEU~B 152 37.41 42.52 61.19 36.96 41.63 61.10 39.83 42.98 61.19 40.78 43.60 61.65 38.58 42.75 62.03 38.80 41.56 62.97 3 0 18.57-999 ?-999 ?-999 ? MN MN A 204 mGLU~B 153 39.82 42.46 59.96 39.00 41.95 59.72 40.92 44.11 58.60 41.92 44.81 58.61 40.96 42.66 59.08 40.88 41.71 57.87 2 0 21.08-999 ?-999 ?-999 ? MN MN A 204 mHIS~B 154 39.73 44.56 58.22 38.99 43.89 58.28 39.93 46.93 58.83 40.25 48.09 58.55 39.55 45.93 57.74 38.10 46.15 57.32 3 0 22.37-999 ?-999 ?-999 ? MN MN A 204 mHIS~B 155 39.89 46.47 60.08 39.63 45.51 60.17 41.68 47.20 61.66 42.25 48.15 62.20 40.22 47.33 61.21 39.28 47.02 62.38 3 0 22.91-999 ?-999 ?-999 ? MN MN A 204 mHIS~B 156 42.28 46.04 61.43 41.71 45.35 60.98 44.61 46.30 60.72 45.14 47.42 60.85 43.66 45.83 61.82 43.90 44.35 62.12 3 0 24.45-999 ?-999 ?-999 ? MN MN A 204 mSER.C 20 21.60 50.25 123.35 20.68 50.03 123.04 23.42 51.98 123.42 22.72 52.68 122.70 22.98 50.57 123.82 23.97 49.53 123.30 2 0 11.07-999 ?-999 ?-999 ? MN MN C 205 mASP~C 21 24.60 52.36 123.90 25.06 51.66 124.44 25.89 53.83 122.31 26.64 52.95 121.89 25.17 53.69 123.65 26.14 54.05 124.79 2 0 14.16-999 ?-999 ?-999 ? MN MN C 205 mALA~C 22 25.67 54.98 121.66 25.06 55.60 122.15 27.79 55.09 120.35 28.35 54.63 119.35 26.28 55.29 120.37 25.95 56.74 120.00 2 0 16.24-999 ?-999 ?-999 ? MN MN C 205 mHIS~C 23 28.45 55.44 121.44 27.89 55.81 122.18 30.31 53.84 121.32 31.39 53.57 120.78 29.90 55.29 121.51 30.43 55.81 122.85 3 0 16.90-999 ?-999 ?-999 ? MN MN C 205 mVAL~C 24 29.47 52.90 121.76 28.63 53.24 122.17 29.70 51.04 120.17 30.65 50.46 119.62 29.80 51.49 121.62 28.87 50.59 122.46 3 0 13.37-999 ?-999 ?-999 ? MN MN C 205 mLEU~C 25 28.56 51.30 119.55 27.87 51.76 120.11 29.48 51.54 117.31 30.09 50.86 116.49 28.36 50.93 118.16 26.99 51.42 117.67 3 0 13.37-999 ?-999 ?-999 ? MN MN C 205 mLYS~C 26 29.76 52.82 117.51 29.20 53.27 118.21 32.12 52.70 116.85 32.84 52.55 115.86 30.81 53.49 116.76 31.01 54.91 117.29 2 0 15.47-999 ?-999 ?-999 ? MN MN C 201 mSER~C 27 32.40 52.17 118.04 31.72 52.36 118.74 33.62 50.05 117.51 34.65 49.62 116.99 33.62 51.39 118.25 33.83 51.14 119.75 2 0 16.13-999 ?-999 ?-999 ? MN MN C 205 mARG~C 28 32.48 49.38 117.47 31.71 49.81 117.95 32.66 48.36 115.29 33.29 47.56 114.60 32.42 48.10 116.77 31.05 47.45 116.96 2 0 13.81-999 ?-999 ?-999 ? MN MN C 205 mLEU~C 29 32.14 49.49 114.79 31.66 50.06 115.46 33.71 50.22 113.00 34.20 49.81 111.96 32.29 49.85 113.38 31.35 50.99 113.00 3 0 13.23-999 ?-999 ?-999 ? MN MN C 201 mGLU~C 30 34.36 51.01 113.84 33.83 51.28 114.65 36.75 50.35 113.86 37.72 50.21 113.13 35.72 51.43 113.58 36.12 52.61 114.46 2 0 14.73-999 ?-999 ?-999 ? MN MN D 203 mTRP~C 31 36.53 49.58 114.94 35.66 49.75 115.39 37.13 47.13 115.56 38.01 46.27 115.66 37.52 48.59 115.38 38.10 49.02 116.73 3 0 17.53-999 ?-999 ?-999 ? MN MN D 203 mGLY~C 32 35.85 46.83 115.63 35.21 47.59 115.50 35.37 44.46 114.77 35.66 44.76 113.61 35.46 45.46 115.89-999.99-999.99-999.99 1 0 15.00-999 ?-999 ?-999 ? MN MN C 205 mGLU.C 33 34.97 43.25 115.14 34.80 43.15 116.12 33.44 42.40 113.54 32.56 43.01 114.16 34.81 42.17 114.17 34.78 40.81 114.87 2 0 14.60-999 ?-999 ?-999 ? MN MN C 205 mPRO.C 34 33.24 41.94 112.31 34.04 41.49 111.90 31.02 41.03 112.19 30.71 40.05 111.51 31.95 42.11 111.64 32.30 41.89 110.18 3 0 14.67-999 ?-999 ?-999 ? MN MN C 205 mALA.C 35 30.59 41.21 113.44 30.91 42.06 113.86 28.43 40.88 114.59 27.78 40.38 115.52 29.73 40.25 114.13 30.47 39.65 115.32 2 0 11.18-999 ?-999 ?-999 ? MN MN C 205 mPHE^C 36 28.06 41.99 113.96 28.69 42.28 113.24 26.22 43.20 113.01 26.88 43.28 111.98 26.84 42.70 114.30 27.14 43.88 115.22 3 0 10.35-999 ?-999 ?-999 ? MN MN C 205 mTHR^C 37 24.94 43.54 113.09 24.54 43.41 114.00 23.45 45.28 112.40 22.84 45.29 113.47 24.21 44.05 111.95 23.22 43.01 111.41 2 0 12.51-999 ?-999 ?-999 ? MN MN C 201 mILE^C 38 23.49 46.33 111.59 24.04 46.22 110.76 21.58 47.64 111.01 21.71 47.58 109.79 22.77 47.54 111.93 23.65 48.78 111.77 3 0 10.86-999 ?-999 ?-999 ? MN MN C 201 mLEU^C 39 20.40 47.80 111.61 20.45 47.83 112.61 18.57 49.31 110.98 18.26 49.78 112.08 19.16 47.91 110.87 18.15 46.88 111.39 3 0 11.25-999 ?-999 ?-999 ? MN MN C 201 mASP^C 40 18.44 49.97 109.83 18.79 49.47 109.04 16.40 50.95 109.47 16.06 50.55 108.36 17.86 51.30 109.76 18.46 52.08 108.61 2 0 10.49-999 ?-999 ?-999 ? MN MN C 201 mVAL.C 41 15.56 51.10 110.48 15.97 51.46 111.32 13.26 51.90 109.84 12.04 51.83 109.93 14.16 50.76 110.35 13.63 50.25 111.71 3 0 13.74-999 ?-999 ?-999 ? MN MN C 201 mARG.C 42 13.86 52.95 109.28 14.86 52.91 109.26 12.57 53.77 107.36 12.63 52.64 106.87 13.07 54.06 108.76 13.87 55.36 108.74 2 0 13.92-999 ?-999 ?-999 ? MN MN C 201 mASP~C 43 12.07 54.81 106.71 12.08 55.66 107.25 12.70 54.56 104.37 13.76 55.15 104.54 11.55 54.74 105.36 10.76 56.03 105.07 2 0 14.30-999 ?-999 ?-999 ? MN MN C 201 mARG~C 44 12.48 53.74 103.35 11.57 53.32 103.35 14.11 54.76 101.76 15.32 54.85 101.57 13.50 53.48 102.34 12.92 52.66 101.19 2 0 11.85-999 ?-999 ?-999 ? MN MN C 201 mSER~C 45 13.26 55.75 101.48 12.31 55.54 101.69 14.64 57.79 101.87 15.65 58.35 101.45 13.72 57.03 100.92 12.52 57.92 100.59 2 0 12.66-999 ?-999 ?-999 ? MN MN C 201 mTHR~C 46 14.29 57.80 103.15 13.45 57.29 103.35 16.43 57.80 104.33 17.45 58.45 104.59 15.09 58.50 104.14 14.35 58.54 105.50 2 0 12.18-999 ?-999 ?-999 ? MN MN C 201 mTYR~C 47 16.42 56.48 104.21 15.51 56.10 104.02 18.65 56.00 103.26 19.85 55.97 103.50 17.62 55.65 104.33 17.23 54.18 104.21 3 0 8.68-999 ?-999 ?-999 ? MN MN C 201 mASN~C 48 18.17 56.32 102.06 17.17 56.28 102.00 19.59 58.08 101.12 20.70 58.38 100.68 19.03 56.68 100.94 18.25 56.61 99.63 2 0 7.90-999 ?-999 ?-999 ? MN MN C 201 mASP~C 49 18.82 58.96 101.76 17.94 58.60 102.07 20.36 60.35 103.06 21.04 61.38 103.24 19.27 60.32 101.99 18.09 61.21 102.39 2 0 10.22-999 ?-999 ?-999 ? MN MN C 201 mGLY~C 50 20.53 59.24 103.77 19.91 58.49 103.53 21.37 58.07 105.84 20.37 58.07 106.55 21.56 59.16 104.79-999.99-999.99-999.99 1 0 8.37-999 ?-999 ?-999 ? MN MN C 201 mHIS^C 51 22.33 57.15 105.94 23.08 57.28 105.29 23.63 55.69 107.49 24.68 56.00 106.90 22.26 56.06 106.92 21.62 54.81 106.30 3 0 -6.76-999 ?-999 ?-999 ? MN MN C 201s mILE^C 52 23.64 55.01 108.63 22.74 54.82 109.03 25.61 53.60 108.31 25.00 52.68 107.75 24.91 54.61 109.23 24.71 53.98 110.62 3 0 7.31-999 ?-999 ?-999 ? MN MN C 201 mMETC 53 26.92 53.78 108.16 27.29 54.54 108.69 27.47 51.44 107.46 27.61 50.89 108.56 27.72 52.94 107.29 29.19 53.28 107.55 2 0 5.56-999 ?-999 ?-999 ? MN MN C 201 mGLY.C 54 27.09 50.78 106.37 26.99 51.34 105.55 25.46 48.94 106.87 25.10 47.76 106.82 26.85 49.35 106.41-999.99-999.99-999.99 1 0 5.10-999 ?-999 ?-999 ? MN MN C 201 mALA.C 55 24.68 49.92 107.31 25.11 50.83 107.29 22.42 49.11 106.69 22.49 49.53 105.52 23.32 49.69 107.79 22.74 51.00 108.31 2 0 6.21-999 ?-999 ?-999 ? MN MN C 201 mMETC 56 21.58 48.15 107.06 21.65 47.88 108.02 19.34 48.35 106.19 18.96 48.84 107.25 20.64 47.56 106.12 20.35 46.10 106.48 2 0 7.46-999 ?-999 ?-999 ? MN MN C 201 mALA.C 57 18.65 48.46 105.06 19.07 48.02 104.27 16.25 48.20 105.22 15.99 47.35 104.36 17.38 49.19 105.03 17.22 49.91 103.70 2 0 8.80-999 ?-999 ?-999 ? MN MN C 201 mMETC 58 15.58 48.31 106.37 15.91 49.04 106.97 13.33 48.21 107.35 13.15 48.13 108.56 14.47 47.44 106.69 14.92 46.33 107.62 2 0 12.51-999 ?-999 ?-999 ? MN MN C 201 mPRO~C 59 12.55 48.97 106.56 12.81 48.94 105.59 10.53 48.89 107.97 10.34 47.69 107.70 11.43 49.75 107.08 10.73 50.22 105.81 3 0 14.80-999 ?-999 ?-999 ? MN MN C 201 mILE~C 60 9.99 49.49 109.04 10.21 50.46 109.11 8.00 47.99 109.42 7.74 46.87 109.85 9.15 48.78 110.00 8.55 49.71 111.08 3 0 18.13-999 ?-999 ?-999 ? MN MN C 201 mGLU~C 61 7.31 48.58 108.45 7.63 49.49 108.20 6.43 46.42 107.57 5.49 45.62 107.65 6.18 47.92 107.82 5.83 48.61 106.50 2 0 20.28-999 ?-999 ?-999 ? MN MN C 201 mASP~C 62 7.67 46.05 107.29 8.34 46.79 107.26 9.28 44.19 107.68 9.86 43.17 107.29 7.99 44.64 107.03 8.08 44.38 105.53 2 0 19.37-999 ?-999 ?-999 ? MN MN C 201 mLEU~C 63 9.73 44.95 108.68 9.15 45.73 108.89 11.15 43.17 109.77 12.16 42.55 109.44 10.97 44.63 109.39 11.08 45.49 110.65 3 0 17.57-999 ?-999 ?-999 ? MN MN C 201 mVAL~C 64 10.16 42.60 110.46 9.38 43.21 110.61 10.32 40.15 109.87 10.96 39.11 110.06 10.25 41.23 110.95 9.08 40.94 111.91 3 0 18.98-999 ?-999 ?-999 ? MN MN C 205 mASP~C 65 9.65 40.38 108.75 9.15 41.25 108.74 11.06 39.35 107.05 11.63 38.27 106.87 9.66 39.44 107.63 8.68 39.93 106.55 2 0 20.75-999 ?-999 ?-999 ? MN MN C 201 mARG~C 66 11.58 40.53 106.76 10.98 41.30 106.98 14.03 40.23 107.09 14.94 39.54 106.66 12.90 40.70 106.19 13.09 42.17 105.86 2 0 17.22-999 ?-999 ?-999 ? MN MN C 201 mALA~C 67 13.96 40.60 108.35 13.16 41.16 108.59 14.97 38.71 109.50 15.99 38.05 109.35 14.99 40.21 109.29 14.80 40.93 110.63 2 0 17.13-999 ?-999 ?-999 ? MN MN C 201 mSER~C 68 13.80 38.16 109.83 13.04 38.81 109.88 14.18 35.79 109.02 14.69 34.71 109.33 13.68 36.74 110.11 12.24 36.40 110.51 2 0 17.44-999 ?-999 ?-999 ? MN MN C 205 mSER~C 69 14.05 36.18 107.76 13.64 37.09 107.64 15.94 35.56 106.26 16.59 34.68 105.71 14.48 35.33 106.67 13.59 35.56 105.45 2 0 20.10-999 ?-999 ?-999 ? MN MN C 205 mSER~C 70 16.43 36.76 106.55 15.79 37.36 107.04 18.83 37.11 107.32 20.03 36.99 107.05 17.79 37.17 106.20 17.74 38.58 105.62 2 0 17.10-999 ?-999 ?-999 ? MN MN C 201 mLEU~C 71 18.39 37.20 108.56 17.39 37.28 108.65 19.11 36.03 110.66 18.01 35.53 110.85 19.31 37.19 109.69 19.21 38.51 110.47 3 0 15.08-999 ?-999 ?-999 ? MN MN C 205 mGLU.C 72 20.21 35.60 111.27 21.04 36.08 110.99 19.75 35.24 113.56 20.19 36.36 113.85 20.19 34.54 112.26 21.60 33.96 112.41 2 0 13.17-999 ?-999 ?-999 ? MN MN C 205 mLYS.C 73 18.90 34.59 114.35 18.65 33.68 114.03 19.41 35.37 116.71 19.11 35.98 117.74 18.40 35.19 115.58 17.21 34.38 116.09 2 0 10.92-999 ?-999 ?-999 ? MN MN C 205 mSER.C 74 20.60 34.83 116.53 20.71 34.35 115.66 22.53 36.17 117.25 23.22 36.67 118.14 21.66 34.93 117.53 22.52 33.66 117.49 2 0 8.17-999 ?-999 ?-999 ? MN MN C 205 mARG.C 75 22.45 36.65 116.01 21.81 36.13 115.45 23.02 39.12 116.25 21.90 39.61 116.38 23.20 37.80 115.51 22.80 38.02 114.06 2 0 8.51-999 ?-999 ?-999 ? MN MN C 205 mASP^C 76 24.12 39.71 116.71 24.97 39.21 116.55 23.39 41.97 116.43 23.85 42.15 115.30 24.04 41.00 117.40 25.43 41.52 117.77 2 0 6.54-999 ?-999 ?-999 ? MN MN C 205 mILE^C 77 22.31 42.61 116.88 22.04 42.39 117.82 21.35 44.90 116.70 20.76 44.99 117.77 21.59 43.54 116.03 20.25 42.92 115.60 3 0 9.08-999 ?-999 ?-999 ? MN MN C 205 mTYR^C 78 21.82 45.96 116.05 22.31 45.73 115.21 20.57 47.94 115.66 20.72 47.94 114.44 21.63 47.32 116.55 22.93 48.12 116.45 3 0 10.90-999 ?-999 ?-999 ? MN MN C 205 mVAL^C 79 19.52 48.46 116.26 19.54 48.42 117.26 18.26 50.53 115.76 18.56 51.01 116.85 18.43 49.05 115.50 17.10 48.39 115.86 3 0 13.83-999 ?-999 ?-999 ? MN MN C 205 mTYR^C 80 17.77 51.26 114.76 17.60 50.75 113.92 16.43 53.13 113.94 16.43 52.74 112.77 17.51 52.68 114.92 18.80 53.50 114.76 3 0 14.76-999 ?-999 ?-999 ? MN MN C 201 mGLY.C 81 15.49 53.93 114.44 15.59 54.14 115.41 14.53 55.96 113.56 15.59 56.52 113.83 14.42 54.45 113.61-999.99-999.99-999.99 1 0 15.79-999 ?-999 ?-999 ? MN MN C 201 mALA.C 82 13.44 56.63 113.22 12.65 56.05 113.02 13.47 58.68 114.56 14.13 59.69 114.80 13.44 58.09 113.15 12.20 58.58 112.41 2 0 17.10-999 ?-999 ?-999 ? MN MN C 201 mGLY~C 83 12.74 58.06 115.48 12.24 57.25 115.15 12.82 57.39 117.83 12.82 56.23 117.42 12.70 58.54 116.85-999.99-999.99-999.99 1 0 20.23-999 ?-999 ?-999 ? MN MN C 201 mASP~C 84 12.90 57.72 119.11 12.87 58.70 119.29 11.85 55.72 120.20 12.01 54.55 120.54 13.03 56.70 120.15 13.21 57.37 121.50 2 0 20.74-999 ?-999 ?-999 ? MN MN C 205 mGLU~C 85 10.65 56.20 119.86 10.65 57.17 119.61 9.53 54.29 118.79 9.36 53.09 119.06 9.47 55.35 119.88 8.20 56.19 119.69 2 0 21.90-999 ?-999 ?-999 ? MN MN C 205 mGLN~C 86 9.76 54.73 117.55 9.87 55.72 117.47 10.97 52.81 116.65 10.87 51.63 116.31 9.83 53.80 116.43 10.05 54.56 115.12 2 0 20.94-999 ?-999 ?-999 ? MN MN C 201 mTHR~C 87 12.05 53.31 117.24 11.99 54.28 117.48 12.88 51.36 118.48 13.15 50.20 118.19 13.20 52.48 117.50 14.35 53.32 118.07 2 0 18.05-999 ?-999 ?-999 ? MN MN C 205 mSER~C 88 12.31 51.71 119.63 12.13 52.68 119.74 10.89 49.76 120.17 10.81 48.60 120.59 12.00 50.69 120.64 11.62 51.34 121.97 2 0 16.76-999 ?-999 ?-999 ? MN MN C 205 mGLN~C 89 10.03 50.29 119.30 10.21 51.24 119.05 9.50 48.47 117.82 9.06 47.32 117.78 8.93 49.51 118.76 7.97 50.43 118.01 2 0 18.85-999 ?-999 ?-999 ? MN MN C 205 mALA~C 90 10.51 48.89 117.06 10.76 49.85 117.20 11.93 46.93 116.85 11.97 45.78 116.42 11.18 48.03 116.11 12.14 48.85 115.26 2 0 17.27-999 ?-999 ?-999 ? MN MN C 205 mVAL~C 91 12.52 47.30 117.98 12.40 48.26 118.22 12.35 45.31 119.41 12.61 44.11 119.33 13.28 46.35 118.80 14.03 47.09 119.92 3 0 13.74-999 ?-999 ?-999 ? MN MN C 205 mASN~C 92 11.26 45.78 120.01 11.16 46.77 120.00 9.81 43.88 119.60 9.78 42.67 119.86 10.30 44.87 120.63 9.10 45.64 121.20 2 0 15.15-999 ?-999 ?-999 ? MN MN C 205 mLEU~C 93 9.42 44.38 118.43 9.49 45.37 118.36 9.91 42.38 117.11 9.52 41.21 117.06 8.94 43.52 117.36 8.76 44.33 116.07 3 0 16.96-999 ?-999 ?-999 ? MN MN C 205 mLEU~C 94 11.18 42.74 116.97 11.36 43.72 117.06 12.44 40.82 117.87 12.63 39.62 117.66 12.22 41.76 116.70 13.52 42.47 116.33 3 0 14.03-999 ?-999 ?-999 ? MN MN C 205 mARG~C 95 12.42 41.34 119.09 12.25 42.33 119.13 11.52 39.48 120.42 11.78 38.31 120.68 12.64 40.49 120.26 12.76 41.31 121.56 2 0 12.05-999 ?-999 ?-999 ? MN MN C 205 mSER~C 96 10.28 39.93 120.28 10.20 40.91 120.07 9.12 38.02 119.26 8.51 36.95 119.37 9.16 39.02 120.43 7.84 39.79 120.52 2 0 15.35-999 ?-999 ?-999 ? MN MN C 205 mALA~C 97 9.80 38.36 118.17 10.27 39.24 118.22 10.89 36.42 117.14 11.04 35.56 116.26 9.82 37.50 117.00 10.06 38.32 115.75 2 0 15.97-999 ?-999 ?-999 ? MN MN C 205 mGLY.C 98 11.64 36.45 118.24 11.43 37.21 118.87 14.10 35.96 118.51 15.01 35.23 118.89 12.66 35.45 118.48-999.99-999.99-999.99 1 0 13.29-999 ?-999 ?-999 ? MN MN C 205 mPHE.C 99 14.31 37.20 118.10 13.49 37.71 117.82 16.17 37.97 119.50 15.62 38.76 120.27 15.65 37.73 118.09 15.69 38.99 117.24 3 0 10.37-999 ?-999 ?-999 ? MN MN C 205 mGLU.C 100 17.26 37.27 119.83 17.62 36.73 119.07 18.94 38.30 121.49 19.38 38.36 122.64 17.86 37.28 121.16 18.41 35.89 121.44 2 0 7.17-999 ?-999 ?-999 ? MN MN C 205 mHIS.C 101 19.39 39.08 120.51 18.96 38.94 119.62 20.25 41.38 120.02 21.11 41.82 119.27 20.43 40.08 120.78 21.80 39.47 120.48 3 0 -4.80-999 ?-999 ?-999 ? MN MN C 205s mVAL^C 102 19.09 41.99 120.24 18.49 41.50 120.87 18.88 44.33 120.67 18.60 44.10 121.85 18.75 43.25 119.62 17.28 43.26 119.13 3 0 7.74-999 ?-999 ?-999 ? MN MN C 205 mSER^C 103 19.32 45.50 120.25 19.57 45.54 119.28 19.19 47.83 120.33 19.42 47.81 119.11 19.42 46.61 121.17 20.79 46.65 121.87 2 0 8.86-999 ?-999 ?-999 ? MN MN C 205 mGLU^C 104 18.70 48.88 120.95 18.52 48.77 121.93 19.64 51.02 120.25 20.46 50.96 121.16 18.44 50.10 120.21 17.20 50.81 120.76 2 0 12.49-999 ?-999 ?-999 ? MN MN C 205 mLEU.C 105 19.76 51.85 119.22 19.08 51.74 118.51 20.18 54.01 119.91 19.42 54.77 119.32 20.83 52.83 119.18 21.17 53.19 117.73 3 0 14.42-999 ?-999 ?-999 ? MN MN C 205 mLYS.C 106 20.46 54.12 121.21 21.06 53.40 121.55 20.28 56.57 121.48 21.46 56.91 121.32 19.92 55.19 122.04 20.45 55.06 123.48 2 0 16.28-999 ?-999 ?-999 ? MN MN C 205 mGLY~C 107 19.26 57.36 121.18 18.35 56.98 121.36 19.36 58.68 119.13 19.32 59.74 118.50 19.50 58.68 120.64-999.99-999.99-999.99 1 0 19.92-999 ?-999 ?-999 ? MN MN C 205 mGLY~C 108 19.30 57.48 118.55 19.37 56.70 119.17 20.25 58.00 116.31 21.37 58.15 116.79 19.14 57.35 117.11-999.99-999.99-999.99 1 0 16.81-999 ?-999 ?-999 ? MN MN C 201 mLEU~C 109 19.92 58.39 115.07 18.96 58.21 114.84 21.46 60.30 114.72 22.63 60.61 114.50 20.87 59.02 114.16 20.19 59.33 112.83 3 0 14.37-999 ?-999 ?-999 ? MN MN C 201 mALA~C 110 20.63 61.06 115.43 19.71 60.68 115.53 22.17 62.08 117.05 23.11 62.86 117.14 21.06 62.31 116.02 19.86 63.01 116.67 2 0 17.58-999 ?-999 ?-999 ? MN MN C 201 mALA~C 111 22.06 60.99 117.81 21.24 60.44 117.64 24.34 60.20 118.12 25.46 60.45 118.59 23.07 60.67 118.82 22.56 59.58 119.75 2 0 18.68-999 ?-999 ?-999 ? MN MN C 201 mTRP~C 112 24.16 59.52 116.99 23.20 59.39 116.74 26.08 60.17 115.63 27.31 60.17 115.69 25.27 59.01 116.20 24.73 58.14 115.07 3 0 15.47-999 ?-999 ?-999 ? MN MN C 201 mLYS~C 113 25.40 61.15 115.06 24.40 61.05 115.07 26.71 63.16 115.56 27.69 63.86 115.31 26.10 62.28 114.48 25.16 63.11 113.61 2 0 15.86-999 ?-999 ?-999 ? MN MN C 201 mALA~C 114 26.15 63.10 116.76 25.38 62.47 116.83 28.04 63.54 118.35 28.68 64.34 119.03 26.64 63.91 117.87 25.66 63.83 119.03 2 0 19.55-999 ?-999 ?-999 ? MN MN C 201 mILE.C 115 28.51 62.35 118.01 27.90 61.79 117.45 30.77 61.74 117.24 31.81 61.07 117.33 29.85 61.94 118.44 29.81 60.65 119.30 3 0 19.40-999 ?-999 ?-999 ? MN MN C 201 mGLY.C 116 30.38 62.32 116.11 29.52 62.82 116.16 31.00 60.99 114.03 31.85 60.68 113.19 31.19 62.22 114.90-999.99-999.99-999.99 1 0 17.18-999 ?-999 ?-999 ? MN MN C 201 mGLY.C 117 29.89 60.28 114.22 29.27 60.63 114.93 29.35 59.40 111.98 28.47 60.21 111.69 29.64 59.08 113.43-999.99-999.99-999.99 1 0 13.80-999 ?-999 ?-999 ? MN MN C 201 mPRO.C 118 30.06 58.77 111.02 30.74 58.12 111.37 28.50 58.47 109.11 27.94 57.55 109.70 29.83 59.02 109.60 31.00 58.30 108.92 3 0 11.02-999 ?-999 ?-999 ? MN MN C 201 mTHR^C 119 28.00 59.05 108.01 28.55 59.80 107.66 27.00 58.47 105.89 27.79 59.21 105.31 26.76 58.61 107.40 25.62 59.60 107.68 2 0 8.38-999 ?-999 ?-999 ? MN MN C 201 mGLU^C 120 26.35 57.48 105.27 25.78 56.92 105.87 25.17 57.63 103.17 24.10 57.41 103.73 26.48 57.26 103.83 26.74 55.79 103.49 2 0 -5.53-999 ?-999 ?-999 ? MN MN C 201s mGLY^C 121 25.26 58.15 101.95 26.19 58.26 101.60 24.18 58.20 99.75 25.26 58.24 99.18 24.07 58.53 101.22-999.99-999.99-999.99 1 0 6.69-999 ?-999 ?-999 ? MN MN C 201 mILE^C 122 23.04 57.86 99.15 22.24 57.87 99.75 22.77 58.74 96.85 22.29 59.78 97.32 22.99 57.51 97.73 21.86 56.48 97.47 3 0 7.52-999 ?-999 ?-999 ? MN MN C 201 mILE.C 123 23.15 58.64 95.58 23.57 57.76 95.36 22.97 59.14 93.20 22.12 58.32 92.85 22.96 59.71 94.62 24.08 60.78 94.67 3 0 11.15-999 ?-999 ?-999 ? MN MN C 201 mASN~C 135 15.14 52.66 92.33 15.50 53.37 92.94 15.70 50.63 91.03 15.57 49.43 91.27 14.61 51.63 91.44 14.00 52.27 90.19 2 0 15.29-999 ?-999 ?-999 ? MN MN C 201 mVAL~C 136 16.76 51.14 90.39 16.69 52.12 90.23 18.74 50.27 91.24 19.44 49.29 91.50 17.89 50.31 89.99 18.67 50.98 88.86 3 0 14.53-999 ?-999 ?-999 ? MN MN C 201 mVAL~C 137 18.66 51.35 92.00 18.06 52.07 91.65 18.81 50.43 94.21 19.54 49.61 94.78 19.39 51.46 93.25 19.27 52.88 93.86 3 0 10.88-999 ?-999 ?-999 ? MN MN C 201 mSER~C 138 17.50 50.46 94.38 17.01 51.15 93.84 17.19 48.08 94.93 17.38 47.25 95.82 16.85 49.53 95.28 15.33 49.75 95.27 2 0 11.30-999 ?-999 ?-999 ? MN MN C 201 mARG~C 139 17.27 47.79 93.63 17.09 48.56 93.02 19.05 46.13 93.49 19.39 45.01 93.91 17.59 46.44 93.18 17.34 46.30 91.67 2 0 13.24-999 ?-999 ?-999 ? MN MN C 201 mMETC 140 19.90 47.13 93.30 19.47 47.97 92.97 21.63 46.91 95.05 22.50 46.15 95.47 21.34 47.00 93.56 22.07 48.20 92.96 2 0 10.91-999 ?-999 ?-999 ? MN MN C 201 mGLN~C 141 20.92 47.69 95.85 20.26 48.28 95.39 20.70 46.28 97.80 21.41 45.65 98.59 21.11 47.67 97.30 20.24 48.74 97.97 2 0 7.90-999 ?-999 ?-999 ? MN MN C 201 mASN~C 142 19.56 45.82 97.32 19.10 46.45 96.69 20.00 43.39 97.37 20.30 42.56 98.22 19.01 44.51 97.68 17.71 44.26 96.92 2 0 10.87-999 ?-999 ?-999 ? MN MN C 201 mHIS~C 143 20.48 43.38 96.14 20.14 44.12 95.56 22.68 42.39 96.53 23.22 41.34 96.89 21.42 42.37 95.68 21.77 42.63 94.22 3 0 12.40-999 ?-999 ?-999 ? MN MN C 201 mLEU~C 144 23.14 43.59 96.85 22.60 44.35 96.49 24.16 43.28 99.07 25.05 42.66 99.64 24.35 43.77 97.64 24.76 45.25 97.63 3 0 9.59-999 ?-999 ?-999 ? MN MN C 201 mGLU~C 145 22.99 43.56 99.64 22.35 44.07 99.07 22.62 41.60 101.07 23.02 41.01 102.07 22.71 43.12 101.00 21.41 43.75 101.51 2 0 9.40-999 ?-999 ?-999 ? MN MN C 201 mASN~C 146 22.11 40.98 100.02 21.83 41.58 99.28 23.36 38.86 99.84 23.48 37.64 99.86 21.99 39.52 99.97 21.10 39.10 98.81 2 0 13.18-999 ?-999 ?-999 ? MN MN C 201 mGLN.C 147 24.40 39.69 99.71 24.15 40.66 99.70 26.56 39.39 100.87 27.71 38.96 100.96 25.76 39.19 99.58 26.48 39.89 98.44 2 0 13.18-999 ?-999 ?-999 ? MN MN C 201 mLYS~C 148 25.93 40.05 101.85 25.00 40.33 101.63 26.87 39.01 103.87 26.08 38.07 103.81 26.58 40.31 103.14 25.70 41.22 104.00 2 0 11.84-999 ?-999 ?-999 ? MN MN C 201 mLYS~C 149 27.99 38.97 104.57 28.52 39.82 104.56 27.30 37.17 106.14 26.97 35.98 106.00 28.41 37.77 105.28 29.63 38.06 106.15 2 0 14.92-999 ?-999 ?-999 ? MN MN C 201 mGLU~C 150 26.72 37.98 107.02 27.05 38.92 107.02 24.47 36.94 107.14 23.84 35.98 107.57 25.66 37.49 107.90 25.21 38.59 108.86 2 0 15.58-999 ?-999 ?-999 ? MN MN C 201 mVAL~C 151 24.14 37.54 106.00 24.73 38.31 105.73 23.32 35.73 104.56 22.49 34.82 104.54 23.00 37.06 105.24 22.60 38.09 104.19 3 0 15.43-999 ?-999 ?-999 ? MN MN C 201 mLEU~C 152 24.52 35.62 104.00 25.09 36.43 104.07 25.00 33.26 104.38 24.68 32.12 104.09 24.92 34.38 103.35 26.28 34.56 102.66 3 0 17.70-999 ?-999 ?-999 ? MN MN C 201 mGLU~C 153 25.44 33.60 105.59 25.68 34.57 105.69 24.20 32.09 107.09 24.07 30.92 107.45 25.56 32.62 106.66 26.29 33.22 107.87 2 0 18.53-999 ?-999 ?-999 ? MN MN C 205 mHIS~C 154 23.19 32.95 107.07 23.42 33.87 106.78 21.33 31.55 106.42 21.00 30.40 106.71 21.85 32.52 107.46 20.90 33.71 107.55 3 0 17.92-999 ?-999 ?-999 ? MN MN C 205 mHIS~C 155 21.26 32.03 105.18 21.58 32.98 105.10 21.46 29.90 103.87 20.85 28.97 103.36 20.78 31.25 104.05 20.93 32.07 102.78 3 0 21.35-999 ?-999 ?-999 ? MN MN C 201 mHIS~C 156 22.72 29.79 104.28 23.10 30.63 104.67 23.49 27.80 105.48 22.67 26.88 105.67 23.45 28.54 104.14 24.87 28.81 103.64 3 0 22.53-999 ?-999 ?-999 ? MN MN C 205 mSER.D 20 36.44 48.37 79.86 37.34 48.79 79.80 34.02 48.83 79.91 34.30 50.00 80.15 35.09 47.75 79.95 34.98 46.93 81.23 2 0 20.87-999 ?-999 ?-999 ? MN MN D 203 mASP~D 21 32.80 48.42 79.59 32.74 47.43 79.44 30.86 49.37 80.79 30.69 48.35 81.47 31.65 49.32 79.48 30.74 48.84 78.35 2 0 20.58-999 ?-999 ?-999 ? MN MN D 203 mALA~D 22 30.35 50.56 81.11 30.54 51.28 80.45 28.33 49.88 82.41 27.93 49.43 83.49 29.58 50.76 82.33 29.19 52.23 82.47 2 0 17.58-999 ?-999 ?-999 ? MN MN D 203 mHIS~D 23 27.70 49.63 81.26 28.10 50.06 80.46 26.80 47.41 81.78 25.96 46.81 82.44 26.51 48.80 81.23 25.98 48.65 79.80 3 0 19.46-999 ?-999 ?-999 ? MN MN D 203 mVAL~D 24 27.99 46.90 81.49 28.58 47.50 80.94 28.68 45.54 83.42 28.27 44.60 84.11 28.39 45.56 81.93 29.62 45.05 81.15 3 0 19.41-999 ?-999 ?-999 ? MN MN D 203 mLEU~D 25 29.40 46.55 83.92 29.67 47.24 83.25 28.43 46.81 86.14 28.27 46.29 87.25 29.72 46.62 85.34 30.68 47.79 85.62 3 0 15.74-999 ?-999 ?-999 ? MN MN D 203 mLYS~D 26 27.50 47.55 85.55 27.76 47.90 84.65 25.45 46.49 86.34 24.73 46.29 87.32 26.23 47.80 86.20 25.44 48.83 85.38 2 0 15.20-999 ?-999 ?-999 ? MN MN D 203 mSER~D 27 25.60 45.59 85.37 26.20 45.88 84.62 25.56 43.39 86.47 24.86 42.61 87.11 24.92 44.30 85.42 24.96 43.61 84.05 2 0 17.73-999 ?-999 ?-999 ? MN MN D 203 mARG~D 28 26.88 43.48 86.63 27.33 44.14 86.04 27.00 42.99 88.99 26.61 42.09 89.75 27.57 42.66 87.62 29.07 42.95 87.63 2 0 16.21-999 ?-999 ?-999 ? MN MN D 203 mLEU~D 29 26.94 44.28 89.29 27.28 44.88 88.56 24.97 44.49 90.83 24.59 44.21 91.97 26.43 44.79 90.56 26.63 46.30 90.63 3 0 13.03-999 ?-999 ?-999 ? MN MN D 203 mGLU~D 30 24.13 44.56 89.81 24.56 44.80 88.94 22.38 42.81 90.00 21.60 42.36 90.84 22.71 44.29 89.98 21.89 44.92 88.85 2 0 14.86-999 ?-999 ?-999 ? MN MN C 201 mTRP~D 31 22.97 42.06 89.09 23.63 42.53 88.51 23.72 39.61 89.14 23.42 38.43 89.32 22.63 40.65 88.98 21.98 40.38 87.62 3 0 17.80-999 ?-999 ?-999 ? MN MN C 201 mGLY~D 32 24.97 40.02 89.06 25.10 41.01 88.95 26.56 38.64 90.51 26.20 39.21 91.53 26.04 39.05 89.15-999.99-999.99-999.99 1 0 18.09-999 ?-999 ?-999 ? MN MN D 203 mGLU.D 33 27.40 37.62 90.50 27.56 37.24 89.58 29.07 38.11 92.14 29.62 38.86 91.32 28.03 37.08 91.69 28.77 35.78 91.36 2 0 17.97-999 ?-999 ?-999 ? MN MN D 203 mPRO.D 34 29.35 38.16 93.45 28.83 37.51 94.00 31.75 38.58 93.68 32.51 38.22 94.59 30.33 39.09 94.01 30.04 39.03 95.50 3 0 14.96-999 ?-999 ?-999 ? MN MN D 203 mALA.D 35 32.10 38.54 92.40 31.41 38.87 91.76 34.28 39.03 91.27 35.08 38.65 90.41 33.41 38.03 92.01 33.24 36.76 91.18 2 0 16.94-999 ?-999 ?-999 ? MN MN D 203 mPHE^D 36 34.10 40.31 91.58 33.38 40.47 92.25 35.16 42.39 92.07 34.61 42.29 93.17 34.92 41.36 90.97 34.19 41.99 89.79 3 0 15.03-999 ?-999 ?-999 ? MN MN D 203 mTHR^D 37 35.99 43.38 91.78 36.39 43.34 90.86 36.50 45.70 91.97 37.22 45.71 90.97 36.28 44.41 92.75 37.54 44.06 93.57 2 0 12.24-999 ?-999 ?-999 ? MN MN D 203 mILE^D 38 35.86 46.78 92.40 35.28 46.63 93.21 36.94 48.92 92.57 36.78 49.00 93.80 36.01 48.06 91.74 34.67 48.79 91.61 3 0 10.65-999 ?-999 ?-999 ? MN MN D 203 mLEU^D 39 37.91 49.54 91.92 37.91 49.37 90.93 38.75 51.84 92.12 38.92 52.13 90.94 38.87 50.39 92.59 40.30 49.90 92.32 3 0 10.99-999 ?-999 ?-999 ? MN MN D 203 mASP^D 40 38.42 52.73 93.05 38.26 52.34 93.96 39.72 54.65 93.01 40.17 54.71 94.15 38.30 54.15 92.75 37.31 54.81 93.71 2 0 10.26-999 ?-999 ?-999 ? MN MN D 203 mVAL.D 41 40.42 55.02 91.95 39.93 54.99 91.08 42.02 56.94 92.31 43.15 57.43 92.38 41.81 55.44 92.10 42.62 54.90 90.89 3 0 13.56-999 ?-999 ?-999 ? MN MN D 203 mARG.D 42 40.92 57.67 92.44 40.06 57.16 92.40 41.41 59.46 94.05 41.69 58.58 94.88 41.02 59.11 92.63 39.69 59.79 92.30 2 0 13.84-999 ?-999 ?-999 ? MN MN D 203 mASP~D 43 41.41 60.76 94.30 41.17 61.31 93.50 40.66 60.90 96.60 39.48 60.86 96.28 41.72 61.35 95.59 41.70 62.87 95.44 2 0 14.35-999 ?-999 ?-999 ? MN MN D 203 mARG~D 44 41.08 60.58 97.81 42.06 60.66 97.95 38.95 61.09 98.98 37.79 60.67 98.98 40.14 60.13 98.83 40.87 59.99 100.17 2 0 11.77-999 ?-999 ?-999 ? MN MN D 203 mSER~D 45 39.23 62.39 99.09 40.21 62.61 99.06 37.13 63.29 98.13 35.94 63.50 98.37 38.17 63.37 99.24 38.76 64.78 99.31 2 0 12.76-999 ?-999 ?-999 ? MN MN D 203 mTHR~D 46 37.57 62.99 96.92 38.55 62.85 96.85 35.79 61.64 96.00 34.57 61.68 95.84 36.64 62.89 95.79 37.38 62.79 94.46 2 0 12.18-999 ?-999 ?-999 ? MN MN D 203 mTYR~D 47 36.47 60.55 96.36 37.45 60.69 96.43 34.63 59.51 97.56 33.51 59.07 97.29 35.81 59.27 96.63 36.81 58.33 97.31 3 0 8.63-999 ?-999 ?-999 ? MN MN D 203 mASN~D 48 34.89 60.21 98.65 35.84 60.52 98.74 32.68 61.30 99.12 31.60 61.23 99.71 33.86 60.49 99.64 34.45 61.20 100.86 2 0 8.15-999 ?-999 ?-999 ? MN MN D 203 mASP~D 49 32.86 62.06 98.05 33.78 62.04 97.65 30.87 62.07 96.58 29.78 62.51 96.22 31.73 62.84 97.55 32.20 64.13 96.88 2 0 10.21-999 ?-999 ?-999 ? MN MN D 203 mGLY~D 50 31.36 60.91 96.15 32.26 60.66 96.51 31.44 59.00 94.60 32.48 59.26 94.00 30.60 60.10 95.22-999.99-999.99-999.99 1 0 8.50-999 ?-999 ?-999 ? MN MN D 203 mHIS^D 51 31.00 57.76 94.76 30.15 57.67 95.28 30.80 55.50 93.85 29.68 55.42 94.35 31.73 56.65 94.18 32.85 56.19 95.13 3 0 -6.76-999 ?-999 ?-999 ? MN MN D 203s mILE^D 52 31.27 54.62 92.97 32.19 54.80 92.62 30.30 52.61 93.83 31.24 52.42 94.59 30.46 53.47 92.59 31.13 52.65 91.46 3 0 7.18-999 ?-999 ?-999 ? MN MN D 203 mMETD 53 29.08 52.12 94.04 28.43 52.40 93.34 29.70 50.08 95.35 30.02 49.37 94.40 28.74 51.27 95.18 27.31 50.77 94.99 2 0 5.29-999 ?-999 ?-999 ? MN MN D 203 mGLY.D 54 30.17 49.87 96.58 29.84 50.51 97.28 32.53 49.09 96.51 33.44 48.41 97.00 31.08 48.78 96.85-999.99-999.99-999.99 1 0 5.03-999 ?-999 ?-999 ? MN MN D 203 mALA.D 55 32.76 50.10 95.68 31.94 50.58 95.37 35.03 50.70 96.49 34.59 51.18 97.53 34.12 50.45 95.29 34.10 51.68 94.39 2 0 6.01-999 ?-999 ?-999 ? MN MN D 203 mMETD 56 36.31 50.35 96.32 36.52 49.95 95.43 38.11 51.79 97.05 38.45 52.03 95.89 37.30 50.55 97.37 38.26 49.36 97.45 2 0 7.22-999 ?-999 ?-999 ? MN MN D 203 mALA.D 57 38.44 52.58 98.07 38.10 52.26 98.96 40.72 53.49 97.88 41.28 53.11 98.90 39.22 53.79 97.88 38.90 54.79 98.98 2 0 8.58-999 ?-999 ?-999 ? MN MN D 203 mMETD 58 41.36 53.65 96.72 40.77 53.96 95.97 43.49 54.43 95.68 43.82 54.13 94.53 42.79 53.40 96.58 43.06 52.02 95.99 2 0 12.32-999 ?-999 ?-999 ? MN MN D 203 mPRO~D 59 43.75 55.65 96.20 43.44 55.76 97.15 45.68 56.13 94.76 46.45 55.42 95.41 44.42 56.70 95.43 44.76 57.75 96.48 3 0 14.70-999 ?-999 ?-999 ? MN MN D 203 mILE~D 60 45.89 56.46 93.49 45.19 57.07 93.12 48.37 55.89 93.42 49.04 54.86 93.40 47.03 55.96 92.71 47.23 56.79 91.40 3 0 17.86-999 ?-999 ?-999 ? MN MN D 203 mGLU~D 61 48.77 56.99 94.05 48.12 57.75 93.99 50.37 55.82 95.58 51.53 55.40 95.62 50.04 57.06 94.75 50.08 58.29 95.63 2 0 20.22-999 ?-999 ?-999 ? MN MN D 203 mASP~D 62 49.37 55.25 96.24 48.48 55.69 96.09 48.79 52.87 96.58 48.65 51.85 97.27 49.57 54.08 97.09 49.10 54.40 98.51 2 0 18.89-999 ?-999 ?-999 ? MN MN D 203 mLEU~D 63 48.31 52.99 95.35 48.53 53.85 94.89 48.13 50.55 94.74 47.49 49.58 95.14 47.53 51.94 94.74 47.20 52.32 93.30 3 0 17.39-999 ?-999 ?-999 ? MN MN D 203 mVAL~D 64 49.36 50.44 94.30 49.80 51.30 94.05 50.32 48.48 95.53 50.28 47.26 95.64 49.97 49.13 94.20 51.16 49.20 93.24 3 0 20.22-999 ?-999 ?-999 ? MN MN D 203 mASP~D 65 50.64 49.27 96.54 50.68 50.25 96.34 49.58 48.21 98.38 49.41 47.05 98.74 50.91 48.68 97.84 51.47 49.70 98.83 2 0 20.54-999 ?-999 ?-999 ? MN MN D 203 mARG~D 66 48.65 49.15 98.43 48.94 50.04 98.07 46.61 47.71 98.31 45.96 46.93 98.98 47.32 48.90 98.97 46.47 50.17 98.86 2 0 16.92-999 ?-999 ?-999 ? MN MN D 203 mALA~D 67 46.75 47.58 97.00 47.33 48.28 96.57 46.76 45.14 96.42 46.09 44.14 96.68 46.11 46.51 96.26 46.05 46.87 94.78 2 0 16.86-999 ?-999 ?-999 ? MN MN D 203 mSER~D 68 48.07 45.08 96.28 48.52 45.95 96.09 48.66 43.21 97.79 48.67 41.99 97.96 48.77 43.80 96.39 50.23 43.97 95.99 2 0 20.33-999 ?-999 ?-999 ? MN MN D 203 mSER~D 69 48.51 44.08 98.79 48.49 45.04 98.51 46.94 43.36 100.54 46.64 42.85 101.62 48.39 43.63 100.18 48.95 44.68 101.13 2 0 19.80-999 ?-999 ?-999 ? MN MN D 203 mSER.D 70 46.04 43.70 99.62 46.43 44.06 98.77 43.86 42.53 98.98 42.97 41.84 99.46 44.62 43.53 99.86 43.95 44.90 99.77 2 0 16.61-999 ?-999 ?-999 ? MN MN D 203 mLEU.D 71 44.22 42.45 97.70 44.98 43.04 97.43 44.32 40.40 96.19 45.55 40.44 96.11 43.51 41.55 96.78 42.91 42.33 95.61 3 0 17.23-999 ?-999 ?-999 ? MN MN D 203 mGLU.D 72 43.59 39.37 95.76 42.61 39.49 95.91 44.52 38.66 93.70 43.76 39.42 93.09 44.17 38.19 95.12 43.11 37.08 95.10 2 0 20.34-999 ?-999 ?-999 ? MN MN D 203 mLYS.D 73 45.67 38.22 93.18 46.17 37.60 93.77 45.28 38.19 90.64 45.48 38.69 89.53 46.12 38.64 91.85 47.56 38.20 91.64 2 0 22.30-999 ?-999 ?-999 ? MN MN D 203 mSER.D 74 44.36 37.26 90.86 44.31 36.94 91.80 42.09 37.32 89.87 41.18 36.91 89.13 43.50 36.75 89.78 43.43 35.22 89.84 2 0 22.77-999 ?-999 ?-999 ? MN MN D 203 mARG.D 75 41.92 38.27 90.78 42.74 38.50 91.29 40.28 39.82 89.81 41.12 40.61 89.38 40.63 38.90 90.99 40.67 39.74 92.27 2 0 19.16-999 ?-999 ?-999 ? MN MN D 203 mASP^D 76 39.07 39.69 89.29 38.51 38.96 89.70 38.56 41.93 88.85 37.92 42.13 89.88 38.61 40.54 88.21 37.20 40.16 87.77 2 0 18.57-999 ?-999 ?-999 ? MN MN D 203 mILE^D 77 39.26 42.88 88.25 39.74 42.61 87.42 38.88 45.26 87.80 39.33 45.25 86.66 39.26 44.21 88.81 40.65 44.55 89.37 3 0 16.27-999 ?-999 ?-999 ? MN MN D 203 mTYR^D 78 38.02 46.17 88.24 37.70 46.02 89.18 38.13 48.54 88.07 37.92 48.78 89.25 37.58 47.28 87.42 36.05 47.33 87.36 3 0 15.10-999 ?-999 ?-999 ? MN MN D 203 mVAL^D 79 38.85 49.33 87.29 38.94 49.03 86.35 38.92 51.77 87.10 38.58 51.71 85.93 39.46 50.55 87.81 40.99 50.51 87.61 3 0 14.87-999 ?-999 ?-999 ? MN MN D 203 mTYR^D 80 38.83 52.87 87.82 39.11 52.76 88.78 38.97 55.27 88.03 38.98 55.26 89.27 38.36 54.12 87.25 36.83 54.20 87.28 3 0 14.60-999 ?-999 ?-999 ? MN MN D 203 mGLY.D 81 39.51 56.24 87.30 39.45 56.11 86.31 39.40 58.67 87.53 38.23 58.62 87.11 40.12 57.40 87.92-999.99-999.99-999.99 1 0 15.66-999 ?-999 ?-999 ? MN MN D 203 mALA.D 82 40.08 59.81 87.65 41.01 59.70 87.99 39.37 61.26 85.80 38.37 61.76 85.29 39.49 61.10 87.32 40.33 62.23 87.90 2 0 17.19-999 ?-999 ?-999 ? MN MN D 203 mGLY~D 83 40.40 60.81 85.09 41.17 60.45 85.62 40.74 59.52 83.07 40.95 58.58 83.83 40.38 60.88 83.64-999.99-999.99-999.99 1 0 20.32-999 ?-999 ?-999 ? MN MN D 203 mASP~D 84 40.80 59.40 81.75 40.58 60.23 81.23 42.66 57.92 81.34 43.14 56.79 81.48 41.16 58.13 81.13 40.82 58.13 79.64 2 0 21.88-999 ?-999 ?-999 ? MN MN D 203 mGLU~D 85 43.40 59.03 81.38 42.88 59.88 81.27 45.16 58.32 82.93 45.93 57.36 83.00 44.84 58.96 81.58 45.46 60.36 81.52 2 0 23.68-999 ?-999 ?-999 ? MN MN D 203 mGLN~D 86 44.57 58.85 83.99 43.96 59.62 83.80 44.32 56.88 85.43 44.91 56.05 86.12 44.82 58.32 85.32 44.15 59.19 86.38 2 0 20.76-999 ?-999 ?-999 ? MN MN D 203 mTHR~D 87 43.22 56.58 84.73 42.83 57.34 84.21 43.61 54.23 84.11 43.87 53.17 84.68 42.66 55.24 84.76 41.30 55.18 84.05 2 0 19.19-999 ?-999 ?-999 ? MN MN D 203 mSER~D 88 44.13 54.55 82.93 43.85 55.44 82.57 46.40 53.57 82.94 47.10 52.55 82.89 45.05 53.64 82.23 45.25 54.09 80.78 2 0 22.52-999 ?-999 ?-999 ? MN MN D 203 mGLN~D 89 46.76 54.65 83.61 46.11 55.41 83.56 47.92 53.78 85.58 48.88 53.10 85.92 48.01 54.71 84.36 48.28 56.15 84.81 2 0 23.08-999 ?-999 ?-999 ? MN MN D 203 mALA~D 90 46.76 53.76 86.22 46.05 54.36 85.85 46.48 51.45 86.93 47.04 50.56 87.57 46.56 52.90 87.39 45.28 53.29 88.12 2 0 19.94-999 ?-999 ?-999 ? MN MN D 203 mVAL~D 91 45.79 51.22 85.81 45.39 52.04 85.40 47.03 49.32 84.90 47.33 48.16 85.20 45.66 49.88 85.26 44.78 49.87 83.99 3 0 20.90-999 ?-999 ?-999 ? MN MN D 203 mASN~D 92 47.85 50.13 84.25 47.50 51.05 84.05 49.93 49.36 85.18 50.54 48.29 85.31 49.18 49.67 83.90 49.93 50.70 83.05 2 0 24.40-999 ?-999 ?-999 ? MN MN D 203 mLEU~D 93 49.86 50.28 86.14 49.32 51.08 85.90 50.22 48.76 88.09 51.10 48.12 88.67 50.54 50.10 87.43 50.17 51.24 88.38 3 0 23.35-999 ?-999 ?-999 ? MN MN D 203 mLEU~D 94 48.96 48.35 88.02 48.35 48.97 87.52 48.97 45.88 87.80 49.25 44.82 88.35 48.53 47.09 88.62 47.01 47.08 88.78 3 0 21.64-999 ?-999 ?-999 ? MN MN D 203 mARG~D 95 49.02 46.05 86.49 48.77 46.96 86.16 50.89 44.60 85.83 51.23 43.44 86.02 49.43 44.95 85.63 49.17 45.30 84.16 2 0 24.61-999 ?-999 ?-999 ? MN MN D 203 mSER~D 96 51.76 45.60 85.78 51.36 46.50 85.61 53.35 44.78 87.37 54.17 43.90 87.60 53.18 45.36 85.97 53.98 46.66 85.85 2 0 27.26-999 ?-999 ?-999 ? MN MN D 203 mALA~D 97 52.54 45.30 88.30 51.93 46.01 87.96 52.23 43.37 89.75 52.38 42.74 90.80 52.57 44.85 89.68 51.59 45.66 90.51 2 0 25.22-999 ?-999 ?-999 ? MN MN D 203 mGLY.D 98 51.76 42.81 88.64 51.66 43.43 87.86 49.96 41.05 88.55 49.61 39.88 88.37 51.43 41.40 88.61-999.99-999.99-999.99 1 0 26.03-999 ?-999 ?-999 ? MN MN D 203 mPHE.D 99 49.08 42.04 88.70 49.47 42.95 88.85 47.32 41.29 87.23 47.66 41.96 86.26 47.65 41.74 88.64 46.82 42.96 89.07 3 0 22.99-999 ?-999 ?-999 ? MN MN D 203 mGLU.D 100 46.65 40.15 87.15 46.42 39.75 88.04 45.08 40.12 85.14 45.17 40.43 83.95 46.29 39.54 85.88 46.07 38.04 86.10 2 0 24.65-999 ?-999 ?-999 ? MN MN D 203 mHIS.D 101 43.96 40.27 85.84 44.02 40.02 86.80 42.21 42.13 85.62 41.25 42.22 86.38 42.74 40.77 85.19 41.64 39.73 85.36 3 0 22.33-999 ?-999 ?-999 ? MN MN D 203 mVAL^D 102 42.82 43.19 85.10 43.59 42.98 84.50 41.74 45.12 84.17 42.29 45.02 83.08 42.37 44.53 85.41 43.54 45.42 85.84 3 0 20.17-999 ?-999 ?-999 ? MN MN D 203 mSER^D 103 40.58 45.74 84.33 40.24 45.74 85.27 39.61 47.80 83.58 39.31 48.11 84.73 39.89 46.37 83.21 38.56 45.67 82.94 2 0 19.91-999 ?-999 ?-999 ? MN MN D 203 mGLU^D 104 39.73 48.69 82.60 40.03 48.33 81.72 37.92 50.20 82.76 37.26 49.28 82.28 39.43 50.10 82.85 40.03 50.99 81.76 2 0 19.13-999 ?-999 ?-999 ? MN MN D 203 mLEU.D 105 37.38 51.30 83.26 38.03 51.93 83.69 35.85 52.78 82.28 36.13 53.90 82.71 35.95 51.54 83.16 35.32 51.83 84.53 3 0 17.38-999 ?-999 ?-999 ? MN MN D 203 mLYS.D 106 35.47 52.55 81.03 35.29 51.58 80.83 34.46 54.75 80.54 33.32 54.53 80.95 35.33 53.61 80.05 34.70 53.06 78.78 2 0 20.19-999 ?-999 ?-999 ? MN MN D 203 mGLY~D 107 35.00 55.97 80.47 35.93 56.01 80.12 34.17 57.33 82.39 33.44 58.19 82.88 34.24 57.13 80.89-999.99-999.99-999.99 1 0 19.60-999 ?-999 ?-999 ? MN MN D 203 mGLY~D 108 34.93 56.53 83.14 35.48 55.86 82.62 33.58 56.82 85.24 32.58 56.27 84.79 34.94 56.65 84.58-999.99-999.99-999.99 1 0 16.12-999 ?-999 ?-999 ? MN MN D 203 mLEU~D 109 33.56 57.60 86.32 34.45 57.98 86.56 31.27 58.55 86.25 30.08 58.21 86.37 32.35 57.85 87.07 32.67 58.69 88.31 3 0 13.67-999 ?-999 ?-999 ? MN MN D 203 mALA~D 110 31.67 59.52 85.44 32.66 59.69 85.44 29.89 59.35 83.74 28.66 59.45 83.69 30.72 60.28 84.62 31.47 61.29 83.76 2 0 16.82-999 ?-999 ?-999 ? MN MN D 203 mALA~D 111 30.56 58.43 83.05 31.55 58.46 83.19 28.95 56.56 82.97 27.88 56.20 82.51 29.88 57.48 82.18 30.91 56.65 81.43 2 0 18.17-999 ?-999 ?-999 ? MN MN D 203 mTRP~D 112 29.40 56.18 84.15 30.31 56.52 84.38 27.30 56.03 85.39 26.23 55.43 85.36 28.61 55.33 85.03 29.42 55.04 86.30 3 0 15.07-999 ?-999 ?-999 ? MN MN D 203 mLYS~D 113 27.38 57.32 85.72 28.31 57.69 85.68 25.32 58.44 84.90 24.11 58.61 85.06 26.20 58.10 86.09 26.64 59.38 86.81 2 0 15.33-999 ?-999 ?-999 ? MN MN D 203 mALA~D 114 25.91 58.52 83.71 26.90 58.35 83.74 24.17 57.77 82.13 23.14 58.06 81.51 25.18 58.85 82.49 26.15 59.04 81.33 2 0 19.12-999 ?-999 ?-999 ? MN MN D 203 mILE~D 115 24.46 56.53 82.51 25.33 56.44 83.00 22.68 55.12 83.44 21.97 54.11 83.48 23.56 55.42 82.23 24.35 54.13 81.83 3 0 19.15-999 ?-999 ?-999 ? MN MN D 203 mGLY.D 116 22.73 56.02 84.43 23.34 56.79 84.28 22.57 55.00 86.69 21.90 54.30 87.45 21.91 55.83 85.61-999.99-999.99-999.99 1 0 16.99-999 ?-999 ?-999 ? MN MN D 203 mGLY.D 117 23.90 55.06 86.75 24.34 55.65 86.06 24.38 54.94 89.11 24.46 56.17 89.25 24.60 54.31 87.75-999.99-999.99-999.99 1 0 13.60-999 ?-999 ?-999 ? MN MN D 203 mPRO.D 118 24.03 54.15 90.13 23.94 53.18 89.91 25.18 54.99 92.07 26.12 54.20 91.93 23.82 54.70 91.46 23.09 53.57 92.18 3 0 11.03-999 ?-999 ?-999 ? MN MN D 203 mTHR^D 119 25.27 56.14 92.73 24.42 56.67 92.75 26.29 56.67 94.88 25.18 56.90 95.35 26.50 56.57 93.37 26.95 57.92 92.76 2 0 8.56-999 ?-999 ?-999 ? MN MN D 203 mGLU^D 120 27.36 56.48 95.64 28.20 56.30 95.13 28.35 57.49 97.63 29.48 57.53 97.13 27.30 56.53 97.09 27.51 55.11 97.63 2 0 5.76-999 ?-999 ?-999 ? MN MN D 203s mGLY^D 121 27.98 58.28 98.65 27.04 58.15 98.95 28.76 59.43 100.75 27.73 59.12 101.34 28.91 59.23 99.24-999.99-999.99-999.99 1 0 6.66-999 ?-999 ?-999 ? MN MN D 203 mILE^D 122 29.81 59.95 101.38 30.58 60.18 100.78 29.40 61.60 103.21 29.38 62.51 102.37 29.80 60.17 102.82 31.21 59.82 103.43 3 0 7.98-999 ?-999 ?-999 ? MN MN D 203 mILE.D 123 29.05 61.78 104.48 29.07 60.94 105.01 28.79 63.04 106.57 29.57 63.79 107.16 28.68 63.08 105.05 27.24 63.50 104.70 3 0 11.70-999 ?-999 ?-999 ? MN MN D 203 mVAL~D 136 38.83 58.90 111.28 39.64 59.32 110.88 36.72 57.70 110.78 36.28 56.55 110.90 37.63 58.29 111.86 36.87 59.31 112.70 3 0 14.88-999 ?-999 ?-999 ? MN MN D 203 mVAL~D 137 36.42 58.48 109.75 36.79 59.41 109.79 36.58 57.16 107.83 36.24 56.13 107.25 35.59 57.97 108.65 34.98 59.11 107.75 3 0 11.28-999 ?-999 ?-999 ? MN MN D 203 mSER~D 138 37.82 57.64 107.79 37.96 58.49 108.30 39.17 55.64 107.81 39.48 54.63 107.18 38.88 56.95 107.08 40.15 57.78 107.05 2 0 11.58-999 ?-999 ?-999 ? MN MN D 203 mARG~D 139 39.07 55.68 109.13 38.80 56.55 109.53 38.23 53.48 109.65 38.49 52.28 109.48 39.34 54.48 109.90 39.45 54.79 111.39 2 0 13.31-999 ?-999 ?-999 ? MN MN D 203 mMETD 140 37.00 53.97 109.62 36.92 54.95 109.78 35.98 52.51 107.98 35.92 51.30 107.80 35.88 53.09 109.37 34.56 53.83 109.50 2 0 10.85-999 ?-999 ?-999 ? MN MN D 203 mGLN~D 141 36.16 53.39 107.00 36.22 54.35 107.30 37.28 51.85 105.39 36.96 50.85 104.76 36.25 52.97 105.61 36.55 54.18 104.72 2 0 7.95-999 ?-999 ?-999 ? MN MN D 203 mASN~D 142 38.49 52.02 105.93 38.62 52.88 106.42 39.16 49.69 106.49 39.29 48.60 105.94 39.53 50.99 105.78 40.87 51.47 106.34 2 0 10.72-999 ?-999 ?-999 ? MN MN D 203 mHIS~D 143 38.69 49.83 107.73 38.63 50.78 108.05 37.24 47.88 107.80 37.29 46.65 107.80 38.30 48.69 108.53 37.75 49.16 109.88 3 0 12.24-999 ?-999 ?-999 ? MN MN D 203 mLEU~D 144 36.26 48.55 107.19 36.31 49.54 107.26 35.76 47.17 105.22 35.36 46.06 104.87 35.22 47.81 106.49 34.02 48.71 106.17 3 0 9.50-999 ?-999 ?-999 ? MN MN D 203 mGLU~D 145 36.66 47.87 104.54 36.88 48.76 104.92 37.99 46.03 103.64 37.98 45.10 102.85 37.25 47.34 103.32 38.21 48.37 102.70 2 0 9.17-999 ?-999 ?-999 ? MN MN D 203 mASN~D 146 38.60 45.96 104.82 38.52 46.79 105.38 38.37 43.62 105.64 38.81 42.49 105.86 39.31 44.76 105.23 40.27 45.09 106.38 2 0 12.93-999 ?-999 ?-999 ? MN MN D 203 mGLN.D 147 37.08 43.91 105.72 36.86 44.87 105.54 35.43 42.36 104.79 34.59 41.46 104.85 36.09 42.90 106.06 35.03 43.49 107.00 2 0 12.92-999 ?-999 ?-999 ? MN MN D 203 mLYS~D 148 35.80 42.92 103.64 36.49 43.64 103.74 35.56 41.03 102.08 36.65 40.56 102.39 35.24 42.49 102.36 35.79 43.36 101.22 2 0 11.58-999 ?-999 ?-999 ? MN MN D 203 mLYS~D 149 34.62 40.31 101.47 33.78 40.83 101.28 36.17 38.69 100.51 37.01 37.98 101.07 34.80 38.91 101.14 33.72 38.47 100.14 2 0 14.59-999 ?-999 ?-999 ? MN MN D 203 mGLU~D 150 36.40 39.33 99.37 35.64 39.91 99.06 38.92 39.57 99.41 39.99 39.02 99.15 37.66 39.19 98.64 37.63 39.99 97.33 2 0 15.32-999 ?-999 ?-999 ? MN MN D 203 mVAL~D 151 38.82 40.52 100.34 37.91 40.92 100.46 40.28 39.84 102.18 41.43 39.59 102.53 40.00 40.89 101.10 39.86 42.30 101.74 3 0 15.13-999 ?-999 ?-999 ? MN MN D 203 mLEU~D 152 39.23 39.22 102.71 38.34 39.51 102.36 40.07 36.97 103.04 40.96 36.34 103.61 39.42 38.18 103.71 38.09 37.76 104.35 3 0 17.47-999 ?-999 ?-999 ? MN MN D 203 mGLU~D 153 39.62 36.67 101.82 38.90 37.28 101.49 41.64 35.67 100.82 42.41 34.72 101.00 40.14 35.54 101.05 39.46 35.44 99.68 2 0 19.71-999 ?-999 ?-999 ? MN MN D 203 mHIS~D 154 42.07 36.86 100.42 41.36 37.56 100.31 44.38 36.87 101.38 45.53 36.44 101.24 43.48 37.08 100.17 43.72 38.49 99.62 3 0 20.22-999 ?-999 ?-999 ? MN MN D 203 mHIS~D 155 43.87 37.16 102.58 42.92 37.47 102.57 44.79 35.62 104.36 45.77 35.29 105.02 44.68 37.02 103.79 44.19 37.99 104.86 3 0 21.41-999 ?-999 ?-999 ? MN MN D 203 mHIS~D 156 43.79 34.78 104.10 43.04 35.17 103.58 44.47 32.57 103.48 45.57 32.00 103.71 43.84 33.41 104.59 42.44 32.92 104.91 3 0 23.89-999 ?-999 ?-999 ? MN MN D 203