HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 20-MAY-09 3HIX COMPND ALR3790 PROTEIN; COMPND 3 CHAIN: A, B, C; COMPND 4 FRAGMENT: SEQUENCE DATABASE RESIDUES 24-120; COMPND 5 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: ANABAENA 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: 562; SOURCE 8 EXPRESSION_SYSTEM_STRAIN: BL21(DE3)+MAGIC; SOURCE 9 EXPRESSION_SYSTEM_VECTOR: PET 21-23C AUTHOR S.VOROBIEV,Y.CHEN,F.FOROUHAR,M.MAGLAQUI,C.CICCOSANTI,L.MAO, AUTHOR 2 R.XIAO,T.B.ACTON,G.T.MONTELIONE,L.TONG,J.F.HUNT,NORTHEAST AUTHOR 3 STRUCTURAL GENOMICS CONSORTIUM (NESG) HET MSE A 53 8 HET MSE A 56 8 HET MSE A 58 8 HET MSE B 53 8 HET MSE B 56 8 HET MSE B 58 8 HET MSE C 53 8 HET MSE C 56 8 HET MSE C 58 8 HET MN A 201 1 HET MN A 202 1 HET MN A 204 1 HET MN B 203 1 HET MN B 205 1 SITE 1 AC1 6 ASP A 49 HIS A 124 HIS A 126 HOH A 502 SITE 1 AC2 5 ASP A 76 HIS A 101 HIS A 125 HIS A 127 SITE 1 AC3 2 HIS A 123 HIS A 125 SITE 1 AC4 4 GLU A 120 HOH A 515 HIS B 123 HIS B 125 SITE 1 AC5 3 ASP B 49 HIS B 124 HIS B 126 mALA.A 35 30.13 42.88 -14.33 30.41 43.64 -13.73 28.36 41.20 -14.76 27.38 41.26 -15.50 29.71 41.76 -15.21 30.77 40.66 -15.20 2 0 18.87-999 ?-999 ?-999 ? MN MN B 203 mPHE.A 36 28.32 40.65 -13.55 29.19 40.65 -13.06 27.04 40.18 -11.50 28.08 40.24 -10.85 27.08 40.09 -13.02 26.90 38.64 -13.46 3 0 17.83-999 ?-999 ?-999 ? MN MN B 203 mTHR^A 37 25.83 40.17 -10.94 25.08 40.10 -11.60 25.14 38.93 -8.96 24.33 38.26 -9.60 25.63 40.26 -9.50 24.60 41.36 -9.17 2 0 15.68-999 ?-999 ?-999 ? MN MN B 203 mILE^A 38 25.63 38.55 -7.79 26.28 39.18 -7.38 24.35 37.56 -5.97 24.70 38.37 -5.11 25.22 37.28 -7.19 26.46 36.44 -6.80 3 0 14.59-999 ?-999 ?-999 ? MN MN B 203 mLEU^A 39 23.19 36.90 -5.90 23.04 36.28 -6.67 22.10 35.80 -4.02 21.92 34.73 -4.61 22.26 37.09 -4.79 20.89 37.53 -5.31 3 0 15.55-999 ?-999 ?-999 ? MN MN B 203 mASP^A 40 22.19 35.90 -2.69 22.36 36.83 -2.38 20.64 34.95 -1.21 20.41 35.90 -0.48 22.04 34.76 -1.80 23.10 34.82 -0.68 2 0 15.25-999 ?-999 ?-999 ? MN MN B 203 mVAL.A 41 19.71 34.06 -1.56 20.04 33.33 -2.15 18.01 33.34 0.15 16.86 33.24 0.56 18.33 34.17 -1.09 17.32 33.80 -2.21 3 0 15.97-999 ?-999 ?-999 ? MN MN A 201 mARG.A 42 19.04 32.75 0.75 19.92 32.89 0.30 18.62 32.90 3.14 18.77 34.12 3.03 18.84 31.97 1.96 20.06 31.09 2.24 2 0 12.85-999 ?-999 ?-999 ? MN MN A 201 mASP~A 43 18.26 32.32 4.28 18.16 31.32 4.21 19.32 33.84 5.82 20.41 33.31 5.65 18.03 33.06 5.51 17.74 32.08 6.64 2 0 10.78-999 ?-999 ?-999 ? MN MN A 201 mARG~A 44 19.18 35.08 6.27 18.24 35.39 6.36 21.29 35.23 7.59 22.50 35.44 7.55 20.35 35.90 6.58 19.92 37.27 7.12 2 0 9.42-999 ?-999 ?-999 ? MN MN A 201 mSER~A 45 20.71 34.43 8.48 19.72 34.35 8.40 22.43 32.75 8.79 23.56 32.53 9.22 21.50 33.73 9.49 20.59 32.95 10.45 2 0 5.93-999 ?-999 ?-999 ? MN MN A 201 mTHR~A 46 21.93 32.16 7.71 20.99 32.44 7.50 23.76 31.94 6.15 24.90 31.48 6.07 22.67 31.20 6.92 21.74 30.48 5.93 2 0 6.60-999 ?-999 ?-999 ? MN MN A 201 mTYR~A 47 23.40 33.08 5.59 22.44 33.33 5.73 25.56 34.21 5.71 26.70 34.05 5.27 24.34 33.91 4.84 23.62 35.19 4.39 3 0 8.40-999 ?-999 ?-999 ? MN MN A 201 mASN~A 48 25.32 34.60 6.95 24.34 34.65 7.17 27.39 33.80 8.13 28.56 34.07 8.37 26.38 34.92 7.90 25.79 35.30 9.27 2 0 5.99-999 ?-999 ?-999 ? MN MN A 201 mASP~A 49 26.93 32.55 8.06 25.95 32.50 7.85 28.68 31.09 7.09 29.56 30.23 7.18 27.77 31.37 8.26 26.92 30.12 8.50 2 0 -4.80-999 ?-999 ?-999 ? MN MN A 201s mGLY.A 50 28.46 31.79 5.99 27.71 32.45 6.05 28.48 31.76 3.53 27.44 31.13 3.32 29.26 31.58 4.81-999.99-999.99-999.99 1 0 8.56-999 ?-999 ?-999 ? MN MN A 201 mHIS^A 51 28.98 32.63 2.67 29.82 33.09 2.97 29.37 33.10 0.31 30.56 33.26 0.61 28.33 32.89 1.40 27.43 34.13 1.50 3 0 10.45-999 ?-999 ?-999 ? MN MN B 203 mILE^A 52 28.93 33.11 -0.94 27.94 32.95 -1.03 30.38 34.74 -1.92 29.65 35.71 -1.67 29.82 33.33 -2.06 29.05 33.19 -3.40 3 0 10.23-999 ?-999 ?-999 ? MN MN B 203 mMETA 53 31.69 34.86 -2.05 32.18 34.01 -2.24 31.70 37.18 -2.83 31.56 36.95 -4.03 32.34 36.15 -1.91 33.83 36.03 -2.23 2 0 7.02-999 ?-999 ?-999 ? MN MN B 203 mGLY.A 54 31.30 38.31 -2.26 31.45 38.36 -1.28 29.18 39.24 -3.27 28.56 40.14 -3.84 30.68 39.36 -3.05-999.99-999.99-999.99 1 0 7.56-999 ?-999 ?-999 ? MN MN B 203 mALA.A 55 28.59 38.13 -2.85 29.19 37.46 -2.42 26.39 38.85 -2.08 26.86 39.11 -0.97 27.15 37.95 -3.04 26.76 36.49 -2.80 2 0 10.41-999 ?-999 ?-999 ? MN MN B 203 mMETA 56 25.23 39.32 -2.50 24.98 39.03 -3.43 23.34 39.37 -0.93 22.77 38.42 -1.49 24.40 40.18 -1.67 23.68 41.22 -2.53 2 0 11.91-999 ?-999 ?-999 ? MN MN B 203 mALA.A 57 23.08 39.75 0.31 23.63 40.52 0.63 20.68 39.57 0.75 20.34 40.73 0.96 22.08 39.08 1.13 22.33 39.35 2.60 2 0 13.55-999 ?-999 ?-999 ? MN MN B 203 mMETA 58 19.88 38.69 0.18 20.28 37.78 0.04 17.59 37.89 0.03 17.19 37.22 -0.91 18.52 39.06 -0.19 18.48 39.53 -1.65 2 0 16.72-999 ?-999 ?-999 ? MN MN A 201 mPRO~A 59 17.26 37.61 1.29 17.68 38.23 1.96 15.05 36.56 0.88 14.53 37.63 0.60 16.37 36.51 1.67 16.17 36.73 3.16 3 0 15.45-999 ?-999 ?-999 ? MN MN A 201 mILE~A 60 14.53 35.38 0.55 15.08 34.60 0.88 12.18 36.22 0.13 11.62 36.87 -0.75 13.30 35.23 -0.21 12.73 33.79 -0.06 3 0 18.44-999 ?-999 ?-999 ? MN MN A 201 mGLU~A 61 11.86 36.33 1.41 12.40 35.76 2.03 10.94 38.69 1.45 9.94 39.37 1.26 10.79 37.22 1.85 10.61 37.13 3.37 2 0 19.49-999 ?-999 ?-999 ? MN MN A 201 mASP~A 62 12.17 39.18 1.31 12.91 38.52 1.48 13.05 40.76 -0.44 13.36 41.87 -0.84 12.39 40.58 0.93 13.24 41.29 1.97 2 0 20.15-999 ?-999 ?-999 ? MN MN A 201 mLEU~A 63 13.23 39.66 -1.15 12.88 38.83 -0.71 13.36 40.67 -3.49 14.10 41.53 -3.96 13.89 39.68 -2.45 13.88 38.28 -3.04 3 0 21.04-999 ?-999 ?-999 ? MN MN A 201 mVAL~A 64 12.09 40.54 -3.87 11.58 39.81 -3.43 11.71 42.92 -4.45 12.10 43.75 -5.27 11.56 41.46 -4.87 10.07 41.16 -5.18 3 0 24.82-999 ?-999 ?-999 ? MN MN A 201 mASP~A 65 11.41 43.24 -3.20 11.09 42.48 -2.64 12.96 45.14 -2.84 13.21 46.16 -3.48 11.54 44.62 -2.72 11.12 44.72 -1.25 2 0 24.89-999 ?-999 ?-999 ? MN MN A 201 mARG~A 66 13.90 44.42 -2.24 13.57 43.60 -1.77 15.89 44.92 -3.67 16.57 45.90 -4.00 15.29 44.84 -2.27 16.14 43.91 -1.41 2 0 21.25-999 ?-999 ?-999 ? MN MN B 203 mALA~A 67 15.66 43.90 -4.49 15.11 43.16 -4.10 15.59 45.03 -6.68 16.28 45.67 -7.47 16.19 43.89 -5.85 15.91 42.56 -6.51 2 0 21.38-999 ?-999 ?-999 ? MN MN B 203 mSER~A 68 14.30 45.27 -6.49 13.85 44.68 -5.82 14.15 47.72 -6.88 14.13 48.62 -7.72 13.62 46.33 -7.23 12.11 46.30 -6.95 2 0 24.73-999 ?-999 ?-999 ? MN MN B 203 mSER~A 69 14.63 47.89 -5.66 14.60 47.08 -5.07 16.66 49.31 -5.32 17.20 50.41 -5.24 15.14 49.19 -5.23 14.70 49.49 -3.80 2 0 23.53-999 ?-999 ?-999 ? MN MN B 203 mSER~A 70 17.34 48.18 -5.49 16.79 47.36 -5.57 19.43 47.85 -6.88 20.56 48.23 -7.16 18.80 48.20 -5.53 19.37 47.23 -4.49 2 0 20.16-999 ?-999 ?-999 ? MN MN B 203 mLEU~A 71 18.69 47.13 -7.72 17.77 46.92 -7.40 18.40 47.06 -10.20 17.17 47.05 -10.13 19.25 46.69 -9.00 19.43 45.17 -8.97 3 0 20.97-999 ?-999 ?-999 ? MN MN B 203 mGLU.A 72 19.06 47.37 -11.31 20.05 47.37 -11.23 17.92 46.36 -13.18 18.63 45.36 -13.08 18.34 47.69 -12.55 19.22 48.47 -13.53 2 0 24.06-999 ?-999 ?-999 ? MN MN B 203 mLYS.A 73 16.76 46.37 -13.82 16.31 47.26 -13.86 16.99 44.59 -15.61 16.73 43.46 -16.03 16.22 45.16 -14.43 14.76 45.42 -14.80 2 0 26.21-999 ?-999 ?-999 ? MN MN B 203 mSER.A 74 17.94 45.35 -16.15 18.05 46.25 -15.72 20.00 44.17 -16.80 20.72 43.57 -17.59 18.74 44.88 -17.27 19.12 46.05 -18.17 2 0 26.44-999 ?-999 ?-999 ? MN MN B 203 mARG.A 75 20.27 44.25 -15.50 19.59 44.76 -14.97 21.44 42.11 -14.85 20.45 41.51 -14.48 21.46 43.64 -14.91 21.68 44.19 -13.50 2 0 22.74-999 ?-999 ?-999 ? MN MN B 203 mASP.A 76 22.57 41.50 -15.23 23.29 42.12 -15.55 22.76 39.66 -13.72 23.65 40.08 -12.99 22.72 40.05 -15.19 24.02 39.60 -15.83 2 0 -21.98-999 ?-999 ?-999 ? MN MN B 203s mILE^A 77 21.80 38.85 -13.30 21.15 38.56 -14.01 21.81 36.91 -11.78 21.20 36.16 -12.54 21.72 38.42 -11.91 20.40 38.90 -11.27 3 0 20.17-999 ?-999 ?-999 ? MN MN B 203 mTYR^A 78 22.60 36.47 -10.81 23.05 37.18 -10.28 22.35 34.80 -9.14 22.83 35.45 -8.21 22.77 35.05 -10.57 24.22 34.67 -10.85 3 0 19.14-999 ?-999 ?-999 ? MN MN B 203 mVAL^A 79 21.42 33.87 -8.97 21.12 33.42 -9.81 21.12 32.15 -7.19 21.18 31.22 -8.00 20.90 33.58 -7.65 19.38 33.85 -7.59 3 0 19.14-999 ?-999 ?-999 ? MN MN B 203 mTYR^A 80 21.23 32.00 -5.88 21.21 32.86 -5.36 20.68 30.76 -3.93 20.68 31.79 -3.25 21.38 30.70 -5.27 22.87 30.30 -5.12 3 0 18.52-999 ?-999 ?-999 ? MN MN A 201 mGLY.A 81 20.03 29.66 -3.58 20.06 28.92 -4.25 19.74 28.24 -1.72 20.73 27.65 -2.13 19.35 29.58 -2.30-999.99-999.99-999.99 1 0 16.45-999 ?-999 ?-999 ? MN MN A 201 mALA.A 82 18.95 27.75 -0.76 18.18 28.33 -0.53 18.43 25.36 -0.80 17.38 24.95 -0.30 19.23 26.47 -0.13 18.88 26.55 1.35 2 0 15.24-999 ?-999 ?-999 ? MN MN A 201 mGLY~A 83 18.94 24.88 -1.93 19.80 25.30 -2.21 17.70 24.32 -3.98 17.50 25.52 -4.16 18.27 23.82 -2.66-999.99-999.99-999.99 1 0 18.71-999 ?-999 ?-999 ? MN MN A 201 mASP~A 84 17.44 23.40 -4.90 17.66 22.46 -4.62 15.53 24.43 -6.09 15.24 25.39 -6.80 16.89 23.75 -6.21 16.72 22.50 -7.07 2 0 22.26-999 ?-999 ?-999 ? MN MN A 201 mGLU~A 85 14.69 23.94 -5.17 15.06 23.18 -4.63 13.34 25.98 -4.64 12.66 26.77 -5.29 13.35 24.50 -5.00 12.56 23.71 -3.95 2 0 22.74-999 ?-999 ?-999 ? MN MN A 201 mGLN~A 86 14.06 26.35 -3.59 14.55 25.61 -3.12 14.76 28.60 -4.26 14.36 29.74 -4.49 14.10 27.75 -3.18 14.85 27.89 -1.85 2 0 20.09-999 ?-999 ?-999 ? MN MN A 201 mTHR~A 87 15.77 28.05 -4.92 16.01 27.12 -4.63 15.46 29.11 -7.09 15.31 30.27 -7.48 16.46 28.78 -5.98 17.64 27.95 -6.53 2 0 21.07-999 ?-999 ?-999 ? MN MN A 201 mSER~A 88 14.75 28.09 -7.58 14.96 27.21 -7.16 12.69 29.29 -8.23 12.30 30.13 -9.03 13.75 28.28 -8.63 13.05 26.95 -8.96 2 0 24.72-999 ?-999 ?-999 ? MN MN A 201 mGLN~A 89 12.23 29.22 -6.98 12.62 28.48 -6.43 11.74 31.60 -6.66 11.05 32.47 -7.19 11.23 30.17 -6.50 10.90 29.91 -5.03 2 0 24.18-999 ?-999 ?-999 ? MN MN A 201 mALA~A 90 12.97 31.84 -6.21 13.42 31.05 -5.80 13.72 33.65 -7.75 13.41 34.80 -8.07 13.57 33.17 -6.30 14.94 33.16 -5.60 2 0 22.71-999 ?-999 ?-999 ? MN MN A 201 mVAL~A 91 14.16 32.77 -8.64 14.36 31.86 -8.28 12.99 33.51 -10.67 12.90 34.45 -11.45 14.33 33.15 -10.04 14.97 32.01 -10.87 3 0 25.56-999 ?-999 ?-999 ? MN MN A 201 mASN~A 92 11.96 32.74 -10.35 12.18 31.99 -9.72 10.10 34.33 -10.35 9.52 35.12 -11.10 10.63 32.99 -10.89 9.69 31.83 -10.51 2 0 28.13-999 ?-999 ?-999 ? MN MN A 201 mLEU~A 93 10.32 34.60 -9.07 10.80 33.88 -8.57 10.55 37.08 -9.15 9.90 38.08 -9.42 9.89 35.87 -8.48 10.21 35.91 -6.99 3 0 26.92-999 ?-999 ?-999 ? MN MN A 201 mLEU~A 94 11.85 36.97 -9.42 12.26 36.10 -9.17 12.17 38.28 -11.49 12.01 39.42 -11.95 12.58 38.08 -10.04 14.10 37.85 -9.94 3 0 26.30-999 ?-999 ?-999 ? MN MN B 203 mARG~A 95 12.02 37.19 -12.23 12.19 36.33 -11.76 10.20 37.89 -13.71 9.92 38.72 -14.57 11.61 37.32 -13.63 11.68 35.96 -14.33 2 0 29.08-999 ?-999 ?-999 ? MN MN B 203 mSER~A 96 9.32 37.45 -12.81 9.67 36.78 -12.16 7.94 39.43 -12.42 7.00 40.15 -12.73 7.96 37.96 -12.82 7.07 37.15 -11.87 2 0 31.69-999 ?-999 ?-999 ? MN MN B 203 mALA~A 97 8.98 39.88 -11.73 9.68 39.19 -11.54 9.63 42.17 -12.40 9.70 43.39 -12.24 9.07 41.27 -11.30 9.94 41.39 -10.06 2 0 29.90-999 ?-999 ?-999 ? MN MN B 203 mGLY.A 98 10.02 41.58 -13.52 9.93 40.58 -13.54 12.04 42.30 -14.84 12.55 43.00 -15.71 10.55 42.38 -14.61-999.99-999.99-999.99 1 0 30.41-999 ?-999 ?-999 ? MN MN B 203 mPHE.A 99 12.77 41.48 -14.09 12.26 40.97 -13.39 14.44 40.52 -15.56 14.01 39.36 -15.64 14.21 41.37 -14.32 14.90 40.79 -13.09 3 0 27.26-999 ?-999 ?-999 ? MN MN B 203 mGLU.A 100 15.10 41.12 -16.55 15.40 42.04 -16.32 16.35 39.33 -17.87 16.22 38.43 -18.70 15.35 40.48 -17.84 15.76 41.56 -18.86 2 0 28.76-999 ?-999 ?-999 ? MN MN B 203 mHIS.A 101 17.34 39.33 -16.98 17.33 40.11 -16.35 18.64 37.70 -15.58 19.49 38.21 -14.85 18.35 38.27 -16.97 19.63 38.79 -17.59 3 0 -26.17-999 ?-999 ?-999 ? MN MN B 203s mVAL^A 102 17.92 36.64 -15.24 17.27 36.33 -15.94 18.35 34.52 -14.19 17.58 33.84 -14.86 18.07 35.99 -13.95 16.78 36.10 -13.11 3 0 24.49-999 ?-999 ?-999 ? MN MN B 203 mSER^A 103 19.46 34.04 -13.66 20.01 34.70 -13.15 20.16 32.01 -12.49 20.47 32.71 -11.52 19.82 32.64 -13.83 20.98 32.50 -14.81 2 0 24.06-999 ?-999 ?-999 ? MN MN B 203 mGLU^A 104 20.08 30.69 -12.46 19.83 30.28 -13.34 21.78 29.40 -11.20 22.37 29.06 -12.22 20.34 29.91 -11.26 19.37 28.72 -11.25 2 0 23.11-999 ?-999 ?-999 ? MN MN B 203 mLEU.A 105 22.35 29.38 -10.00 21.81 29.78 -9.26 23.36 27.43 -9.26 23.15 27.27 -8.06 23.68 28.81 -9.82 24.51 29.59 -8.81 3 0 20.75-999 ?-999 ?-999 ? MN MN B 203 mLYS.A 106 23.30 26.45 -10.16 23.47 26.75 -11.10 23.92 24.50 -8.73 25.14 24.64 -8.81 22.99 25.06 -9.81 23.05 24.17 -11.06 2 0 23.41-999 ?-999 ?-999 ? MN MN B 203 mGLY~A 107 23.32 23.85 -7.74 22.32 23.80 -7.81 24.41 24.28 -5.54 24.95 23.90 -4.50 24.09 23.28 -6.65-999.99-999.99-999.99 1 0 21.02-999 ?-999 ?-999 ? MN MN A 201 mGLY~A 108 24.08 25.55 -5.78 23.67 25.71 -6.67 25.73 26.70 -4.26 26.71 26.49 -4.97 24.31 26.58 -4.79-999.99-999.99-999.99 1 0 18.18-999 ?-999 ?-999 ? MN MN A 201 mLEU~A 109 25.81 27.02 -2.97 24.92 27.13 -2.53 27.99 25.98 -2.28 29.21 26.10 -2.35 27.08 27.21 -2.28 26.79 27.63 -0.83 3 0 15.13-999 ?-999 ?-999 ? MN MN B 205 mALA~A 110 27.38 24.80 -2.20 26.38 24.84 -2.14 28.83 23.33 -3.53 29.98 22.90 -3.59 28.15 23.55 -2.19 27.23 22.38 -1.87 2 0 15.50-999 ?-999 ?-999 ? MN MN B 205 mALA~A 111 28.09 23.60 -4.61 27.17 23.93 -4.41 29.73 24.45 -6.18 30.70 24.18 -6.88 28.62 23.44 -5.95 27.51 23.63 -6.98 2 0 18.17-999 ?-999 ?-999 ? MN MN B 205 mTRP~A 112 29.56 25.63 -5.57 28.72 25.70 -5.04 31.84 26.33 -4.97 32.93 26.49 -5.52 30.54 26.70 -5.69 29.96 28.00 -5.11 3 0 16.18-999 ?-999 ?-999 ? MN MN B 205 mLYS~A 113 31.72 25.82 -3.75 30.78 25.76 -3.41 33.57 24.23 -3.66 34.79 24.08 -3.60 32.90 25.41 -2.98 32.52 25.02 -1.56 2 0 13.27-999 ?-999 ?-999 ? MN MN B 205 mALA~A 114 32.77 23.39 -4.31 31.80 23.64 -4.28 34.25 22.59 -6.12 35.14 21.81 -6.44 33.28 22.21 -5.01 32.12 21.40 -5.58 2 0 16.24-999 ?-999 ?-999 ? MN MN B 205 mILE~A 115 34.09 23.77 -6.72 33.32 24.32 -6.38 36.09 25.09 -7.25 36.87 25.65 -8.01 35.00 24.18 -7.78 34.28 24.89 -8.95 3 0 17.65-999 ?-999 ?-999 ? MN MN B 205 mGLY.A 116 36.13 25.23 -5.92 35.42 24.73 -5.42 36.85 27.55 -5.33 37.78 28.35 -5.37 37.14 26.06 -5.29-999.99-999.99-999.99 1 0 14.58-999 ?-999 ?-999 ? MN MN B 205 mGLY.A 117 35.58 27.91 -5.32 34.92 27.16 -5.29 35.37 29.99 -4.01 35.23 29.34 -2.97 35.21 29.31 -5.36-999.99-999.99-999.99 1 0 13.72-999 ?-999 ?-999 ? MN MN B 203 mPRO.A 118 35.66 31.29 -4.00 35.74 31.69 -4.91 34.56 32.31 -1.99 33.49 32.51 -2.57 35.84 32.07 -2.77 36.45 33.37 -3.28 3 0 9.99-999 ?-999 ?-999 ? MN MN B 203 mTHR^A 119 34.67 32.30 -0.66 35.60 32.14 -0.34 33.91 33.51 1.32 35.09 33.74 1.55 33.53 32.52 0.21 33.06 31.20 0.85 2 0 8.50-999 ?-999 ?-999 ? MN MN B 203 mGLU^A 120 32.90 34.07 1.98 32.00 33.78 1.65 32.13 34.68 4.20 31.00 34.25 3.95 33.07 35.03 3.07 32.70 36.45 2.64 2 0 -5.90-999 ?-999 ?-999 ? MN MN B 203s mLEU^A 121 32.58 34.88 5.44 33.53 35.20 5.48 31.56 35.99 7.29 32.45 36.84 7.24 31.75 34.63 6.61 32.41 33.65 7.58 3 0 7.40-999 ?-999 ?-999 ? MN MN B 205 mGLU.A 122 30.41 36.20 7.91 29.78 35.42 7.89 30.17 37.44 10.08 29.90 36.41 10.70 30.12 37.47 8.55 28.73 37.97 8.13 2 0 8.45-999 ?-999 ?-999 ? MN MN B 203 mHIS.A 123 30.50 38.58 10.67 30.69 39.33 10.04 29.16 38.65 12.71 28.27 39.42 12.32 30.56 38.71 12.12 31.21 40.05 12.50 3 0 -6.79-999 ?-999 ?-999 ? MN MN A 204s mHIS^A 124 28.95 37.73 13.63 29.73 37.14 13.82 27.88 36.76 15.54 28.90 36.10 15.68 27.67 37.60 14.30 26.61 36.96 13.39 3 0 -5.44-999 ?-999 ?-999 ? MN MN A 204s mHIS^A 125 26.95 36.79 16.47 26.16 37.38 16.30 25.92 35.10 17.93 24.80 35.38 17.51 27.13 35.96 17.64 27.48 36.82 18.87 3 0 5.89-999 ?-999 ?-999 ? MN MN A 204s mHIS^A 126 26.16 34.04 18.69 27.11 33.94 18.99 24.83 32.97 20.52 25.72 32.62 21.32 25.11 33.10 19.04 25.42 31.72 18.44 3 0 -6.64-999 ?-999 ?-999 ? MN MN A 201s mHIS.A 127 23.58 33.23 20.86 23.01 33.49 20.08 22.58 31.74 22.33 21.39 31.50 22.49 23.05 33.16 22.23 21.81 34.06 22.39 3 0 -6.86-999 ?-999 ?-999 ? MN MN A 202s mHIS.A 128 23.47 30.77 22.22 24.42 31.06 22.09 23.41 28.41 23.37 22.50 27.94 24.12 22.99 29.39 22.28 23.22 28.75 20.92 3 0 10.21-999 ?-999 ?-999 ? MN MN A 201 mALA.B 35 35.63 41.55 36.04 34.79 41.63 35.52 37.78 40.27 36.38 38.82 40.02 36.99 36.89 41.43 36.83 36.57 41.29 38.32 2 0 20.75-999 ?-999 ?-999 ? MN MN A 202 mPHE^B 36 37.37 39.55 35.33 36.49 39.81 34.94 38.31 38.48 33.31 37.34 38.77 32.60 38.21 38.47 34.83 37.75 37.10 35.38 3 0 19.95-999 ?-999 ?-999 ? MN MN A 204 mTHR^B 37 39.51 38.17 32.83 40.18 37.94 33.53 40.01 36.78 30.83 40.70 35.96 31.42 39.80 38.18 31.40 41.08 39.01 31.14 2 0 18.14-999 ?-999 ?-999 ? MN MN A 204 mILE^B 38 39.42 36.54 29.67 38.88 37.30 29.31 40.46 35.42 27.76 40.23 36.30 26.93 39.57 35.26 28.98 38.21 34.72 28.51 3 0 17.11-999 ?-999 ?-999 ? MN MN A 204 mLEU^B 39 41.48 34.57 27.65 41.55 33.92 28.41 42.23 33.41 25.60 42.29 32.26 26.05 42.42 34.61 26.53 43.86 34.57 27.04 3 0 18.03-999 ?-999 ?-999 ? MN MN A 204 mASP^B 40 42.00 33.67 24.31 41.93 34.64 24.08 43.25 32.42 22.77 43.73 33.26 22.02 41.86 32.58 23.35 40.87 32.93 22.24 2 0 15.58-999 ?-999 ?-999 ? MN MN B 205 mVAL.B 41 43.90 31.32 23.14 43.36 30.72 23.73 45.38 30.29 21.38 46.48 30.02 20.90 45.26 31.01 22.73 45.92 30.17 23.88 3 0 16.23-999 ?-999 ?-999 ? MN MN B 205 mARG.B 42 44.25 30.01 20.74 43.42 30.31 21.21 44.65 30.23 18.28 44.79 31.45 18.42 44.28 29.33 19.46 42.92 28.67 19.18 2 0 12.92-999 ?-999 ?-999 ? MN MN B 205 mASP~B 43 44.81 29.59 17.13 44.68 28.60 17.21 44.10 31.33 15.56 42.91 31.16 15.85 45.13 30.24 15.86 45.06 29.20 14.74 2 0 10.75-999 ?-999 ?-999 ? MN MN B 205 mARG~B 44 44.53 32.43 14.95 45.51 32.45 14.77 42.52 32.93 13.69 41.37 33.34 13.74 43.59 33.50 14.61 44.32 34.65 13.92 2 0 9.46-999 ?-999 ?-999 ? MN MN B 205 mSER~B 45 42.92 31.97 12.86 43.90 31.75 12.94 40.90 30.63 12.70 39.73 30.73 12.35 42.02 31.31 11.93 42.77 30.23 11.13 2 0 6.04-999 ?-999 ?-999 ? MN MN B 205 mTHR~B 46 41.29 29.92 13.76 42.27 29.93 13.92 39.50 30.16 15.42 38.31 29.93 15.63 40.34 29.19 14.59 41.10 28.23 15.52 2 0 6.73-999 ?-999 ?-999 ? MN MN B 205 mTYR~B 47 40.13 31.23 15.88 41.10 31.27 15.65 38.31 32.84 15.81 37.21 33.08 16.30 39.44 32.25 16.66 40.45 33.34 17.08 3 0 8.56-999 ?-999 ?-999 ? MN MN B 205 mASN~B 48 38.59 33.06 14.53 39.52 32.80 14.27 36.42 32.72 13.36 35.33 33.20 13.07 37.62 33.64 13.60 38.30 33.95 12.27 2 0 6.11-999 ?-999 ?-999 ? MN MN B 205 mASP~B 49 36.62 31.41 13.49 37.56 31.15 13.73 34.58 30.41 14.48 33.56 29.73 14.43 35.53 30.46 13.29 36.07 29.05 13.03 2 0 -4.79-999 ?-999 ?-999 ? MN MN B 205s mGLY.B 50 34.92 31.12 15.54 35.77 31.63 15.47 34.86 31.11 18.00 35.67 30.22 18.22 34.06 31.13 16.71-999.99-999.99-999.99 1 0 8.57-999 ?-999 ?-999 ? MN MN B 205 mHIS^B 51 34.62 32.10 18.85 33.93 32.75 18.55 34.41 32.71 21.20 33.35 33.26 20.92 35.34 32.20 20.11 36.52 33.15 19.95 3 0 11.69-999 ?-999 ?-999 ? MN MN B 205 mILE^B 52 34.81 32.54 22.45 35.69 32.07 22.56 33.78 34.51 23.40 34.72 35.26 23.12 33.99 33.01 23.55 34.65 32.73 24.92 3 0 11.87-999 ?-999 ?-999 ? MN MN A 204 mMETB 53 32.54 34.95 23.59 31.88 34.23 23.80 32.98 37.15 24.51 32.85 36.92 25.71 32.18 36.36 23.48 30.68 36.53 23.74 2 0 8.71-999 ?-999 ?-999 ? MN MN A 204 mGLY.B 54 33.83 38.05 24.03 33.87 38.11 23.03 36.06 38.44 25.13 36.86 39.19 25.70 34.62 38.87 24.93-999.99-999.99-999.99 1 0 9.92-999 ?-999 ?-999 ? MN MN A 204 mALA.B 55 36.42 37.24 24.67 35.69 36.73 24.22 38.77 37.53 23.97 38.43 37.99 22.88 37.78 36.76 24.83 37.86 35.26 24.50 2 0 12.77-999 ?-999 ?-999 ? MN MN A 204 mMETB 56 40.00 37.67 24.47 40.12 37.26 25.37 41.82 37.37 22.90 42.24 36.32 23.39 41.05 38.37 23.75 42.02 39.04 24.71 2 0 14.42-999 ?-999 ?-999 ? MN MN A 204 mALA.B 57 42.03 37.70 21.63 41.64 38.57 21.34 44.25 36.98 21.09 44.80 38.07 20.98 42.78 36.81 20.76 42.52 37.16 19.30 2 0 14.95-999 ?-999 ?-999 ? MN MN B 205 mMETB 58 44.88 35.90 21.52 44.32 35.07 21.59 46.97 34.64 21.51 47.30 33.84 22.39 46.29 35.95 21.85 46.49 36.28 23.34 2 0 17.11-999 ?-999 ?-999 ? MN MN B 205 mPRO~B 59 47.18 34.40 20.21 46.85 35.13 19.61 49.08 32.87 20.52 49.84 33.76 20.89 47.82 33.19 19.72 48.13 33.54 18.27 3 0 15.69-999 ?-999 ?-999 ? MN MN B 205 mILE~B 60 49.28 31.58 20.78 48.58 30.97 20.41 51.76 31.76 21.20 52.52 32.15 22.09 50.43 31.10 21.55 50.57 29.56 21.42 3 0 18.54-999 ?-999 ?-999 ? MN MN B 205 mGLU~B 61 52.05 31.90 19.91 51.36 31.56 19.28 53.50 33.93 20.02 54.62 34.34 20.32 53.31 32.50 19.51 53.46 32.47 17.98 2 0 19.65-999 ?-999 ?-999 ? MN MN B 205 mASP~B 62 52.40 34.68 20.13 51.56 34.21 19.88 52.02 36.26 22.03 52.22 37.33 22.61 52.48 36.06 20.59 51.63 36.97 19.69 2 0 20.38-999 ?-999 ?-999 ? MN MN B 205 mLEU~B 63 51.41 35.23 22.61 51.34 34.43 22.02 51.69 36.07 25.01 51.21 37.07 25.54 50.89 35.28 23.97 50.67 33.86 24.50 3 0 21.23-999 ?-999 ?-999 ? MN MN B 205 mVAL~B 64 52.89 35.60 25.32 53.17 34.79 24.81 53.97 37.76 26.07 53.73 38.57 26.95 53.72 36.26 26.32 55.08 35.54 26.50 3 0 25.01-999 ?-999 ?-999 ? MN MN B 205 mASP~B 65 54.44 38.11 24.88 54.59 37.36 24.23 53.41 40.33 24.65 53.40 41.42 25.20 54.70 39.52 24.58 55.35 39.69 23.21 2 0 25.55-999 ?-999 ?-999 ? MN MN B 205 mARG~B 66 52.32 39.78 24.11 52.45 38.88 23.70 50.46 40.69 25.54 50.06 41.79 25.92 51.04 40.50 24.15 50.01 39.81 23.26 2 0 23.32-999 ?-999 ?-999 ? MN MN B 205 mALA~B 67 50.39 39.61 26.31 50.75 38.77 25.90 50.72 40.59 28.53 50.22 41.41 29.32 49.83 39.70 27.66 49.72 38.30 28.27 2 0 23.73-999 ?-999 ?-999 ? MN MN A 204 mSER~B 68 52.03 40.43 28.38 52.26 39.74 27.69 52.97 42.69 28.93 53.58 43.46 29.67 53.04 41.19 29.13 54.46 40.74 28.75 2 0 27.17-999 ?-999 ?-999 ? MN MN A 204 mSER.B 69 52.24 43.09 27.89 51.82 42.34 27.38 50.67 44.97 27.55 50.32 45.94 26.89 52.10 44.51 27.56 52.68 44.79 26.17 2 0 25.83-999 ?-999 ?-999 ? MN MN A 204 mSER.B 70 49.83 44.29 28.30 50.21 43.56 28.86 47.62 44.30 29.46 46.48 44.72 29.61 48.44 44.66 28.24 47.85 43.97 27.04 2 0 22.83-999 ?-999 ?-999 ? MN MN A 204 mLEU.B 71 48.21 43.51 30.34 49.15 43.25 30.11 48.56 43.09 32.62 49.71 42.72 32.38 47.52 43.08 31.53 46.99 41.66 31.35 3 0 23.63-999 ?-999 ?-999 ? MN MN A 204 mGLU.B 72 48.18 43.53 33.81 47.24 43.84 33.90 49.29 42.07 35.28 48.47 41.23 34.91 49.17 43.53 34.86 48.76 44.44 36.03 2 0 26.98-999 ?-999 ?-999 ? MN MN A 204 mLYS.B 73 50.35 41.77 36.03 50.93 42.55 36.26 49.77 39.91 37.63 50.06 38.84 38.17 50.61 40.41 36.46 52.09 40.28 36.75 2 0 29.07-999 ?-999 ?-999 ? MN MN A 204 mSER.B 74 48.73 40.65 37.99 48.60 41.47 37.44 46.44 40.04 38.62 45.56 39.65 39.38 47.87 40.27 39.11 47.84 41.39 40.15 2 0 28.93-999 ?-999 ?-999 ? MN MN A 204 mARG.B 75 46.22 40.29 37.34 47.03 40.60 36.84 44.46 38.68 36.66 45.25 37.80 36.35 44.91 40.14 36.72 44.97 40.75 35.31 2 0 25.20-999 ?-999 ?-999 ? MN MN A 204 mASP^B 76 43.19 38.44 36.98 42.67 39.26 37.25 42.54 36.66 35.49 41.65 37.08 34.75 42.61 37.10 36.94 41.20 37.08 37.53 2 0 24.32-999 ?-999 ?-999 ? MN MN A 204 mILE^B 77 43.46 35.79 35.09 44.09 35.50 35.81 43.05 33.90 33.52 43.40 33.00 34.29 43.53 35.33 33.71 44.98 35.48 33.21 3 0 22.91-999 ?-999 ?-999 ? MN MN A 204 mTYR^B 78 42.25 33.69 32.48 42.05 34.52 31.96 42.04 32.11 30.70 41.75 32.91 29.81 41.70 32.38 32.15 40.20 32.38 32.40 3 0 21.72-999 ?-999 ?-999 ? MN MN A 204 mVAL^B 79 42.68 30.97 30.48 42.83 30.41 31.30 42.40 29.36 28.60 42.02 28.45 29.34 43.12 30.58 29.16 44.63 30.25 29.19 3 0 21.29-999 ?-999 ?-999 ? MN MN B 205 mTYR^B 80 42.21 29.38 27.29 42.50 30.22 26.83 42.27 28.20 25.23 42.44 29.21 24.56 41.61 28.25 26.59 40.08 28.38 26.50 3 0 18.47-999 ?-999 ?-999 ? MN MN B 205 mGLY.B 81 42.71 27.00 24.87 42.56 26.27 25.53 42.69 25.61 22.96 41.65 25.16 23.45 43.36 26.80 23.59-999.99-999.99-999.99 1 0 16.41-999 ?-999 ?-999 ? MN MN B 205 mALA.B 82 43.25 25.10 21.88 44.09 25.57 21.58 43.16 22.67 21.87 44.11 22.06 21.39 42.66 23.95 21.21 43.05 23.96 19.75 2 0 14.90-999 ?-999 ?-999 ? MN MN B 205 mGLY~B 83 42.54 22.29 22.98 41.79 22.88 23.28 43.78 21.32 24.92 44.28 22.42 25.15 42.95 21.07 23.66-999.99-999.99-999.99 1 0 18.31-999 ?-999 ?-999 ? MN MN B 205 mASP~B 84 43.92 20.28 25.73 43.48 19.44 25.41 46.13 20.71 26.80 46.67 21.53 27.54 44.65 20.39 26.98 44.49 19.09 27.78 2 0 21.92-999 ?-999 ?-999 ? MN MN B 205 mGLU~B 85 46.79 20.09 25.84 46.25 19.44 25.30 48.49 21.84 25.36 49.32 22.45 26.04 48.20 20.36 25.62 48.75 19.52 24.45 2 0 22.36-999 ?-999 ?-999 ? MN MN B 205 mGLN~B 86 47.80 22.43 24.38 47.15 21.84 23.91 47.63 24.76 25.20 48.33 25.73 25.49 48.02 23.84 24.05 47.23 24.24 22.80 2 0 19.77-999 ?-999 ?-999 ? MN MN B 205 mTHR~B 87 46.51 24.45 25.85 46.04 23.64 25.52 47.04 25.27 28.10 47.32 26.31 28.68 46.04 25.26 26.96 44.69 24.75 27.48 2 0 20.82-999 ?-999 ?-999 ? MN MN B 205 mSER~B 88 47.58 24.10 28.43 47.26 23.32 27.89 49.84 24.70 29.15 50.44 25.40 29.98 48.54 24.00 29.52 48.84 22.53 29.85 2 0 24.45-999 ?-999 ?-999 ? MN MN B 205 mGLN~B 89 50.29 24.51 27.92 49.72 23.92 27.36 51.47 26.65 27.64 52.47 27.28 27.99 51.52 25.13 27.44 51.73 24.80 25.97 2 0 24.11-999 ?-999 ?-999 ? MN MN B 205 mALA~B 90 50.29 27.23 27.42 49.58 26.59 27.15 50.06 29.12 29.01 50.62 30.16 29.35 50.08 28.67 27.55 48.77 29.05 26.88 2 0 22.89-999 ?-999 ?-999 ? MN MN B 205 mVAL~B 91 49.39 28.35 29.86 48.96 27.54 29.45 50.71 28.73 31.86 51.05 29.63 32.63 49.31 28.68 31.27 48.45 27.65 32.04 3 0 25.65-999 ?-999 ?-999 ? MN MN B 205 mASN~B 92 51.54 27.77 31.46 51.12 27.12 30.82 53.79 28.83 31.41 54.69 29.29 32.10 52.92 27.67 31.92 53.51 26.32 31.48 2 0 28.16-999 ?-999 ?-999 ? MN MN B 205 mLEU~B 93 53.52 29.28 30.19 52.78 28.80 29.72 54.04 31.64 30.45 54.99 32.28 30.90 54.27 30.39 29.61 53.80 30.66 28.17 3 0 27.03-999 ?-999 ?-999 ? MN MN B 205 mLEU~B 94 52.78 31.95 30.68 52.11 31.33 30.26 52.94 33.04 32.90 53.32 34.06 33.47 52.41 33.11 31.47 50.88 33.27 31.48 3 0 27.59-999 ?-999 ?-999 ? MN MN B 205 mARG~B 95 52.95 31.84 33.48 52.60 31.09 32.92 54.97 31.79 34.86 55.57 32.28 35.81 53.45 31.69 34.85 53.02 30.34 35.44 2 0 30.85-999 ?-999 ?-999 ? MN MN B 205 mSER~B 96 55.59 31.32 33.79 54.99 30.93 33.09 57.42 32.83 33.41 58.56 33.24 33.64 57.04 31.38 33.68 57.51 30.48 32.53 2 0 31.96-999 ?-999 ?-999 ? MN MN B 205 mALA~B 97 56.45 33.61 32.93 55.57 33.14 32.80 56.34 35.89 33.84 56.42 37.12 33.77 56.66 35.02 32.63 55.79 35.43 31.44 2 0 31.29-999 ?-999 ?-999 ? MN MN B 205 mGLY.B 98 55.96 35.26 34.94 55.90 34.26 34.87 54.23 36.44 36.38 53.99 37.34 37.18 55.66 36.00 36.14-999.99-999.99-999.99 1 0 33.40-999 ?-999 ?-999 ? MN MN A 204 mPHE.B 99 53.27 35.84 35.69 53.57 35.15 35.03 51.40 35.42 37.14 51.53 34.20 37.20 51.87 36.21 35.92 51.01 35.90 34.69 3 0 30.20-999 ?-999 ?-999 ? MN MN A 204 mGLU.B 100 50.86 36.14 38.12 50.79 37.11 37.91 49.17 34.66 39.41 49.14 33.69 40.15 50.42 35.55 39.39 50.23 36.67 40.42 2 0 31.48-999 ?-999 ?-999 ? MN MN A 204 mHIS.B 101 48.16 34.99 38.61 48.31 35.80 38.04 46.45 33.72 37.25 45.53 34.29 36.67 46.94 34.19 38.62 45.82 34.97 39.32 3 0 28.91-999 ?-999 ?-999 ? MN MN A 204 mVAL^B 102 47.07 32.67 36.73 47.80 32.29 37.31 45.96 30.79 35.65 46.49 29.88 36.29 46.69 32.12 35.43 47.92 31.87 34.55 3 0 27.20-999 ?-999 ?-999 ? MN MN A 204 mSER^B 103 44.74 30.70 35.14 44.44 31.52 34.65 43.55 29.00 33.88 43.83 29.65 32.88 43.93 29.49 35.27 42.65 29.79 36.07 2 0 26.42-999 ?-999 ?-999 ? MN MN A 204 mGLU^B 104 42.90 27.84 33.81 42.73 27.39 34.69 40.98 27.06 32.49 40.36 26.78 33.52 42.49 27.31 32.53 43.24 26.01 32.21 2 0 24.51-999 ?-999 ?-999 ? MN MN B 205 mLEU.B 105 40.40 27.19 31.30 41.02 27.47 30.57 38.95 25.49 30.64 39.23 25.20 29.48 38.98 26.93 31.11 38.39 27.82 30.02 3 0 22.57-999 ?-999 ?-999 ? MN MN A 204 mLYS.B 106 38.61 24.57 31.54 38.37 24.94 32.44 37.57 22.77 30.15 36.36 22.91 30.35 38.59 23.16 31.21 38.39 22.35 32.49 2 0 23.49-999 ?-999 ?-999 ? MN MN B 205 mGLY~B 107 38.07 22.28 29.02 39.07 22.22 28.99 37.13 22.93 26.84 36.52 22.70 25.80 37.20 21.88 27.93-999.99-999.99-999.99 1 0 20.79-999 ?-999 ?-999 ? MN MN B 205 mGLY~B 108 37.74 24.08 27.08 38.18 24.15 27.98 36.42 25.57 25.53 35.42 25.63 26.25 37.76 25.14 26.08-999.99-999.99-999.99 1 0 17.98-999 ?-999 ?-999 ? MN MN B 205 mLEU~B 109 36.40 25.86 24.23 37.28 25.73 23.78 34.02 25.39 23.65 32.91 25.84 23.95 35.21 26.32 23.52 35.52 26.52 22.03 3 0 15.15-999 ?-999 ?-999 ? MN MN A 201 mALA~B 110 34.24 24.10 23.42 35.19 23.89 23.18 32.49 23.05 24.86 31.28 22.92 24.95 33.17 23.10 23.50 33.72 21.72 23.14 2 0 15.42-999 ?-999 ?-999 ? MN MN A 201 mALA~B 111 33.28 23.14 25.93 34.25 23.23 25.74 31.87 24.35 27.52 30.82 24.30 28.17 32.69 23.09 27.27 33.79 22.95 28.32 2 0 18.09-999 ?-999 ?-999 ? MN MN A 201 mTRP~B 112 32.35 25.47 27.00 33.20 25.35 26.49 30.33 26.75 26.45 29.32 27.20 27.00 31.68 26.76 27.16 32.59 27.86 26.61 3 0 16.25-999 ?-999 ?-999 ? MN MN A 201 mLYS~B 113 30.31 26.22 25.23 31.18 25.88 24.89 28.11 25.17 25.14 26.89 25.32 25.08 29.05 26.17 24.49 29.30 25.79 23.02 2 0 13.28-999 ?-999 ?-999 ? MN MN A 201 mALA~B 114 28.68 24.16 25.80 29.68 24.18 25.78 27.06 23.66 27.61 26.02 23.08 27.94 27.90 23.12 26.46 28.84 22.01 26.98 2 0 16.17-999 ?-999 ?-999 ? MN MN A 201 mILE~B 115 27.50 24.75 28.23 28.36 25.12 27.89 25.94 26.55 28.87 25.44 27.32 29.69 26.72 25.32 29.32 27.61 25.70 30.53 3 0 17.05-999 ?-999 ?-999 ? MN MN A 202 mGLY.B 116 25.85 26.74 27.55 26.32 26.05 27.00 25.85 29.17 26.87 25.24 30.20 26.58 25.11 27.85 26.99-999.99-999.99-999.99 1 0 13.51-999 ?-999 ?-999 ? MN MN A 202 mGLY.B 117 27.16 29.14 27.07 27.54 28.24 27.28 27.88 31.03 25.63 27.72 30.37 24.61 27.96 30.35 26.98-999.99-999.99-999.99 1 0 12.12-999 ?-999 ?-999 ? MN MN A 202 mPRO.B 118 27.99 32.37 25.59 28.12 32.78 26.49 29.22 33.08 23.54 30.32 33.01 24.10 27.93 33.15 24.36 27.68 34.56 24.86 3 0 8.82-999 ?-999 ?-999 ? MN MN A 202 mTHR^B 119 29.06 33.11 22.22 28.11 33.17 21.91 30.03 34.03 20.16 28.91 34.43 19.84 30.20 33.06 21.32 30.40 31.65 20.75 2 0 9.53-999 ?-999 ?-999 ? MN MN A 204 mGLU^B 120 31.14 34.41 19.54 31.97 34.02 19.94 31.95 34.72 17.25 32.94 34.03 17.48 31.15 35.32 18.40 31.80 36.66 18.76 2 0 7.01-999 ?-999 ?-999 ? MN MN A 204 mLEU^B 121 31.52 35.00 16.02 30.67 35.53 15.99 32.66 35.84 14.14 31.89 36.79 14.11 32.25 34.55 14.84 31.38 33.69 13.92 3 0 7.44-999 ?-999 ?-999 ? MN MN A 201 mGLU.B 122 33.87 35.87 13.59 34.38 35.01 13.67 34.33 36.98 11.42 34.20 35.90 10.85 34.37 37.07 12.94 35.81 37.33 13.37 2 0 8.69-999 ?-999 ?-999 ? MN MN B 205 mHIS.B 123 34.47 38.13 10.77 34.58 38.92 11.38 35.79 37.74 8.72 36.85 38.22 9.11 34.47 38.23 9.31 34.25 39.68 8.89 3 0 -7.02-999 ?-999 ?-999 ? MN MN B 203s mHIS^B 124 35.73 36.80 7.78 34.80 36.48 7.57 36.63 35.61 5.79 35.46 35.44 5.44 36.94 36.30 7.12 37.74 35.37 8.06 3 0 -6.21-999 ?-999 ?-999 ? MN MN B 203s mHIS^B 125 37.67 35.24 5.05 38.56 35.42 5.47 38.03 33.17 3.63 38.76 32.70 4.49 37.52 34.60 3.73 38.24 35.43 2.67 3 0 -6.24-999 ?-999 ?-999 ? MN MN B 203s mHIS^B 126 37.65 32.49 2.56 37.06 33.02 1.94 38.02 30.77 0.83 37.44 31.50 0.03 38.04 31.11 2.32 37.12 30.16 3.08 3 0 -6.63-999 ?-999 ?-999 ? MN MN B 205s mHIS.B 127 38.66 29.66 0.47 39.09 29.15 1.22 38.61 27.73 -1.13 39.33 27.16 -1.96 38.72 29.24 -0.93 40.02 29.73 -1.59 3 0 9.87-999 ?-999 ?-999 ? MN MN B 205 mHIS.B 128 37.74 27.07 -0.38 37.24 27.64 0.27 36.15 25.23 -0.06 36.00 24.11 0.46 37.54 25.64 -0.54 38.60 24.89 0.24 3 0 10.27-999 ?-999 ?-999 ? MN MN B 205 mALA.C 35 61.18 48.28 5.64 61.92 48.76 6.12 58.85 47.43 5.82 57.86 46.81 5.43 60.08 47.57 4.93 60.56 46.20 4.47 2 0 25.73-999 ?-999 ?-999 ? MN MN B 203 mPHE.C 36 58.92 47.99 7.03 59.79 48.43 7.23 57.11 49.30 7.92 57.76 50.31 7.65 57.79 47.94 7.95 58.28 47.59 9.37 3 0 24.14-999 ?-999 ?-999 ? MN MN B 203 mTHR^C 37 55.81 49.34 8.19 55.40 48.45 8.41 54.64 51.05 9.55 54.22 50.24 10.37 55.08 50.60 8.17 53.83 50.49 7.27 2 0 22.76-999 ?-999 ?-999 ? MN MN B 203 mILE^C 38 54.73 52.36 9.80 55.10 52.90 9.04 53.12 53.81 10.89 53.08 54.65 9.99 54.34 52.93 11.08 55.47 53.76 11.69 3 0 24.14-999 ?-999 ?-999 ? MN MN B 203 mLEU^C 39 52.12 53.61 11.73 52.29 52.89 12.40 50.68 55.18 12.94 50.76 54.65 14.05 50.88 54.37 11.67 49.69 53.42 11.48 3 0 22.64-999 ?-999 ?-999 ? MN MN B 203 mASP^C 40 50.42 56.47 12.78 50.40 56.76 11.82 48.67 57.58 13.92 48.13 58.24 13.03 50.19 57.36 13.91 50.94 58.67 13.68 2 0 25.09-999 ?-999 ?-999 ? MN MN B 203 mVAL.C 41 47.98 57.02 14.91 48.54 56.53 15.58 45.97 58.28 15.83 44.77 58.35 16.08 46.53 57.14 14.98 45.89 55.82 15.45 3 0 23.51-999 ?-999 ?-999 ? MN MN B 203 mARG.C 42 46.84 59.19 16.26 47.79 59.02 15.99 45.74 61.32 16.10 45.69 61.09 14.90 46.40 60.33 17.05 47.60 60.99 17.73 2 0 25.93-999 ?-999 ?-999 ? MN MN A 204 mASP~C 43 45.22 62.42 16.62 45.29 62.50 17.62 45.59 63.98 14.77 46.78 64.06 15.07 44.58 63.41 15.76 43.99 64.55 16.58 2 0 27.17-999 ?-999 ?-999 ? MN MN A 204 mARG~C 44 45.08 64.38 13.61 44.10 64.23 13.52 46.76 66.12 13.05 47.95 66.18 12.75 45.89 64.96 12.55 44.98 65.47 11.44 2 0 28.43-999 ?-999 ?-999 ? MN MN B 203 mSER~C 45 46.15 67.06 13.79 45.17 66.90 13.93 48.03 67.76 15.25 49.12 68.35 15.25 46.89 68.20 14.32 45.95 69.15 15.08 2 0 32.22-999 ?-999 ?-999 ? MN MN B 203 mTHR~C 46 47.77 66.73 16.05 46.85 66.36 15.96 49.95 65.66 16.11 51.12 65.87 16.43 48.79 66.22 16.95 48.23 65.11 17.82 2 0 31.92-999 ?-999 ?-999 ? MN MN A 204 mTYR~C 47 49.60 64.92 15.07 48.61 64.78 14.96 51.42 65.52 13.59 52.65 65.46 13.55 50.60 64.36 14.16 49.90 63.58 13.03 3 0 30.56-999 ?-999 ?-999 ? MN MN B 203 mASN~C 48 50.74 66.58 13.16 49.75 66.51 13.27 52.37 68.40 13.57 53.35 69.03 13.16 51.42 67.74 12.59 50.42 68.78 12.07 2 0 33.15-999 ?-999 ?-999 ? MN MN B 203 mASP~C 49 52.09 68.26 14.87 51.25 67.74 15.06 54.20 68.00 16.13 55.12 68.41 16.84 52.94 68.84 15.90 52.19 68.99 17.22 2 0 35.88-999 ?-999 ?-999 ? MN MN B 203 mGLY.C 50 54.24 66.81 15.53 53.43 66.57 14.99 55.02 64.50 15.65 54.09 64.08 16.33 55.40 65.96 15.69-999.99-999.99-999.99 1 0 34.91-999 ?-999 ?-999 ? MN MN B 203 mHIS^C 51 55.74 63.73 14.85 56.47 64.22 14.36 56.78 61.56 14.39 57.79 62.18 14.06 55.49 62.30 14.70 54.51 62.07 13.55 3 0 32.00-999 ?-999 ?-999 ? MN MN B 203 mILE^C 52 56.73 60.24 14.50 55.84 59.88 14.79 58.20 59.58 12.73 57.30 59.58 11.88 57.88 59.39 14.20 57.56 57.90 14.51 3 0 31.54-999 ?-999 ?-999 ? MN MN B 203 mMETC 53 59.48 59.78 12.41 60.11 59.76 13.18 59.36 58.90 10.11 59.61 57.71 10.34 59.87 59.99 11.02 61.40 60.10 10.91 2 0 32.38-999 ?-999 ?-999 ? MN MN B 203 mGLY.C 54 58.64 59.29 9.06 58.50 60.28 8.99 56.77 57.70 8.47 56.22 56.92 7.69 58.11 58.33 8.11-999.99-999.99-999.99 1 0 29.37-999 ?-999 ?-999 ? MN MN B 203 mALA.C 55 56.23 58.03 9.64 56.75 58.67 10.20 53.84 58.07 9.18 53.97 59.19 8.72 54.94 57.45 10.02 54.67 57.69 11.50 2 0 26.89-999 ?-999 ?-999 ? MN MN B 203 mMETC 56 52.76 57.32 8.97 52.79 56.41 9.38 50.55 58.27 9.14 50.26 57.59 10.12 51.64 57.82 8.18 51.10 56.73 7.27 2 0 24.39-999 ?-999 ?-999 ? MN MN B 203 mALA.C 57 49.94 59.41 8.84 50.26 59.86 8.01 47.56 59.21 9.38 47.00 59.35 8.30 48.87 59.92 9.69 48.72 61.43 9.47 2 0 24.68-999 ?-999 ?-999 ? MN MN B 203 mMETC 58 47.07 58.42 10.33 47.63 58.34 11.15 44.97 57.81 11.40 44.83 56.83 12.12 45.80 57.73 10.13 46.03 56.26 9.73 2 0 21.49-999 ?-999 ?-999 ? MN MN B 203 mPRO~C 59 44.40 59.00 11.69 44.60 59.73 11.03 42.65 58.00 13.06 42.03 57.55 12.09 43.58 59.19 12.89 42.82 60.48 12.58 3 0 22.85-999 ?-999 ?-999 ? MN MN B 203 mILE~C 60 42.56 57.49 14.28 43.07 58.00 14.97 40.34 56.30 14.08 39.81 55.25 13.72 41.78 56.31 14.58 41.81 55.99 16.09 3 0 20.08-999 ?-999 ?-999 ? MN MN A 204 mGLU~C 61 39.70 57.47 14.03 40.23 58.26 14.32 38.19 57.00 12.12 37.21 56.36 11.78 38.32 57.51 13.56 37.76 58.94 13.65 2 0 19.15-999 ?-999 ?-999 ? MN MN A 204 mASP~C 62 39.19 57.28 11.29 39.94 57.80 11.69 40.18 55.75 9.60 40.40 55.41 8.44 39.16 56.84 9.90 39.44 58.01 8.95 2 0 18.31-999 ?-999 ?-999 ? MN MN B 203 mLEU~C 63 40.81 55.21 10.64 40.52 55.57 11.52 41.51 52.99 9.58 42.22 52.71 8.61 41.84 54.18 10.48 42.26 53.65 11.85 3 0 17.04-999 ?-999 ?-999 ? MN MN B 203 mVAL~C 64 40.43 52.27 9.89 39.92 52.60 10.68 39.89 51.40 7.61 40.52 50.77 6.76 40.08 51.09 9.09 38.81 50.40 9.65 3 0 13.27-999 ?-999 ?-999 ? MN MN B 203 mASP~C 65 39.03 52.37 7.30 38.59 52.80 8.09 40.07 53.16 5.20 40.37 52.69 4.11 38.79 52.74 5.91 37.77 53.88 5.84 2 0 13.17-999 ?-999 ?-999 ? MN MN B 203 mARG~C 66 40.83 54.04 5.84 40.47 54.33 6.73 43.08 53.40 5.04 43.69 53.31 3.97 42.08 54.53 5.26 42.68 55.59 6.20 2 0 15.80-999 ?-999 ?-999 ? MN MN B 203 mALA~C 67 43.26 52.55 6.04 42.69 52.73 6.84 43.80 50.39 4.91 44.61 49.99 4.08 44.20 51.44 5.94 44.38 50.78 7.30 2 0 14.44-999 ?-999 ?-999 ? MN MN B 203 mSER~C 68 42.54 49.96 4.95 41.99 50.39 5.67 42.18 49.36 2.58 42.30 48.51 1.70 42.03 48.94 4.04 40.55 48.65 4.32 2 0 10.85-999 ?-999 ?-999 ? MN MN B 203 mSER~C 69 42.19 50.66 2.34 42.12 51.24 3.15 43.69 51.46 0.48 43.88 51.67 -0.72 42.28 51.18 0.98 41.46 52.47 0.87 2 0 12.87-999 ?-999 ?-999 ? MN MN B 203 mSER~C 70 44.68 51.46 1.37 44.41 51.25 2.31 47.13 50.78 1.42 48.28 50.88 0.99 46.04 51.74 0.93 46.42 53.17 1.34 2 0 15.60-999 ?-999 ?-999 ? MN MN B 203 mLEU~C 71 46.78 49.86 2.31 45.83 49.89 2.60 47.26 47.49 2.62 46.13 47.17 2.96 47.77 48.91 2.81 48.05 49.16 4.30 3 0 14.96-999 ?-999 ?-999 ? MN MN B 203 mGLU.C 72 48.10 46.64 2.05 48.99 47.01 1.77 47.74 44.57 3.21 48.68 44.74 3.99 47.70 45.26 1.86 48.63 44.54 0.87 2 0 13.19-999 ?-999 ?-999 ? MN MN B 203 mLYS.C 73 46.71 43.77 3.45 46.06 43.71 2.69 47.76 42.32 5.22 47.81 41.99 6.41 46.52 43.06 4.70 45.34 42.09 4.56 2 0 11.54-999 ?-999 ?-999 ? MN MN B 203 mSER.C 74 48.74 42.08 4.36 48.58 42.43 3.44 51.11 42.29 5.22 52.14 41.81 5.70 49.96 41.38 4.77 50.44 40.47 3.64 2 0 14.67-999 ?-999 ?-999 ? MN MN B 203 mARG.C 75 50.94 43.60 5.04 50.07 43.83 4.62 52.35 44.42 6.90 51.51 44.13 7.74 51.96 44.58 5.42 51.39 45.98 5.20 2 0 17.22-999 ?-999 ?-999 ? MN MN B 203 mASP^C 76 53.63 44.57 7.22 54.24 44.74 6.45 53.83 45.89 9.17 54.55 46.83 8.83 54.06 44.48 8.61 55.55 44.10 8.69 2 0 19.93-999 ?-999 ?-999 ? MN MN B 203 mILE^C 77 52.82 46.00 10.03 52.37 45.13 10.24 52.68 47.50 12.10 52.47 46.62 12.92 52.40 47.28 10.61 50.89 47.47 10.39 3 0 19.91-999 ?-999 ?-999 ? MN MN B 203 mTYR^C 78 53.14 48.71 12.42 53.27 49.32 11.64 52.64 50.35 14.11 52.69 51.33 13.37 53.43 49.09 13.80 54.93 49.30 13.97 3 0 22.83-999 ?-999 ?-999 ? MN MN B 203 mVAL^C 79 51.90 50.31 15.21 52.01 49.47 15.75 51.28 52.11 16.87 51.76 51.51 17.83 51.02 51.41 15.55 49.56 50.89 15.61 3 0 22.97-999 ?-999 ?-999 ? MN MN B 203 mTYR^C 80 50.97 53.40 16.90 50.65 53.79 16.03 50.02 55.25 18.17 49.72 55.89 17.17 51.09 54.17 18.13 52.49 54.78 18.31 3 0 25.91-999 ?-999 ?-999 ? MN MN B 203 mGLY.C 81 49.43 55.41 19.35 49.77 54.80 20.07 48.81 57.29 20.69 49.98 57.30 21.07 48.39 56.39 19.55-999.99-999.99-999.99 1 0 24.90-999 ?-999 ?-999 ? MN MN A 204 mALA.C 82 47.85 58.02 21.26 46.94 57.87 20.88 48.65 58.26 23.59 49.56 58.75 24.26 48.13 58.95 22.35 46.85 59.74 22.69 2 0 26.62-999 ?-999 ?-999 ? MN MN A 204 mGLY~C 83 48.06 57.11 23.90 47.33 56.83 23.27 48.30 54.89 24.68 47.93 54.60 23.55 48.45 56.34 25.06-999.99-999.99-999.99 1 0 25.90-999 ?-999 ?-999 ? MN MN A 204 mASP~C 84 48.57 53.98 25.60 48.83 54.33 26.50 47.05 52.05 25.00 46.89 51.08 24.26 48.47 52.57 25.27 49.18 51.72 26.33 2 0 24.04-999 ?-999 ?-999 ? MN MN A 204 mGLU~C 85 46.02 52.69 25.55 46.26 53.47 26.12 44.22 52.54 23.86 43.50 51.76 23.25 44.66 52.22 25.28 43.65 52.79 26.28 2 0 20.79-999 ?-999 ?-999 ? MN MN A 204 mGLN~C 86 44.63 53.69 23.33 45.21 54.25 23.92 45.06 53.20 21.00 44.58 52.83 19.94 44.25 54.05 21.97 44.51 55.54 21.70 2 0 20.55-999 ?-999 ?-999 ? MN MN A 204 mTHR~C 87 46.31 52.91 21.37 46.59 53.30 22.25 46.49 50.71 20.39 46.34 50.19 19.29 47.16 52.09 20.52 48.57 51.92 21.13 2 0 21.65-999 ?-999 ?-999 ? MN MN A 204 mSER~C 88 46.08 50.14 21.52 46.25 50.68 22.34 44.13 48.81 20.72 43.89 47.87 19.96 45.42 48.84 21.53 45.11 48.42 22.96 2 0 18.86-999 ?-999 ?-999 ? MN MN A 204 mGLN~C 89 43.30 49.84 20.88 43.61 50.52 21.54 42.31 49.88 18.65 41.63 49.19 17.89 42.04 49.91 20.14 41.29 51.21 20.44 2 0 16.12-999 ?-999 ?-999 ? MN MN A 204 mALA~C 90 43.31 50.65 18.22 43.78 51.16 18.94 44.18 49.40 16.29 43.79 48.96 15.21 43.67 50.73 16.82 44.71 51.83 16.60 2 0 17.79-999 ?-999 ?-999 ? MN MN A 204 mVAL~C 91 45.07 48.76 17.05 45.32 49.23 17.89 44.46 46.46 16.48 44.40 45.71 15.50 45.60 47.47 16.63 46.65 46.97 17.65 3 0 18.22-999 ?-999 ?-999 ? MN MN A 204 mASN~C 92 43.54 46.44 17.44 43.70 47.10 18.17 41.53 45.79 16.15 41.10 44.86 15.48 42.40 45.53 17.39 41.54 45.67 18.65 2 0 14.55-999 ?-999 ?-999 ? MN MN A 204 mLEU~C 93 41.29 47.07 15.85 41.70 47.72 16.49 41.08 46.90 13.40 40.37 46.36 12.55 40.49 47.45 14.69 40.42 48.98 14.56 3 0 13.77-999 ?-999 ?-999 ? MN MN A 204 mLEU~C 94 42.39 47.07 13.25 42.84 47.54 14.00 43.00 45.09 11.98 42.76 44.53 10.90 43.07 46.60 12.06 44.52 47.08 12.06 3 0 13.55-999 ?-999 ?-999 ? MN MN B 203 mARG~C 95 43.20 44.43 13.11 43.38 45.00 13.91 41.74 42.48 12.80 41.58 41.60 11.96 43.14 42.97 13.15 43.56 42.46 14.52 2 0 13.21-999 ?-999 ?-999 ? MN MN B 203 mSER~C 96 40.72 43.07 13.42 40.97 43.77 14.08 39.02 42.92 11.66 38.16 42.27 11.07 39.34 42.67 13.14 38.35 43.44 14.01 2 0 11.35-999 ?-999 ?-999 ? MN MN B 203 mALA~C 97 39.73 43.88 11.07 40.40 44.33 11.68 40.33 43.34 8.72 40.33 43.55 7.51 39.54 44.24 9.68 39.94 45.70 9.45 2 0 8.93-999 ?-999 ?-999 ? MN MN B 203 mGLY.C 98 41.01 42.33 9.27 40.97 42.27 10.26 43.26 41.58 8.31 43.93 40.74 7.70 41.75 41.42 8.41-999.99-999.99-999.99 1 0 8.55-999 ?-999 ?-999 ? MN MN B 203 mPHE.C 99 43.82 42.64 8.88 43.19 43.27 9.33 45.96 41.70 9.59 45.63 41.43 10.75 45.27 42.81 8.80 45.66 44.22 9.28 3 0 11.78-999 ?-999 ?-999 ? MN MN B 203 mGLU.C 100 46.91 41.05 8.93 47.08 41.41 8.01 48.77 40.18 10.47 48.95 39.42 11.43 47.63 39.92 9.49 48.14 39.05 8.35 2 0 13.93-999 ?-999 ?-999 ? MN MN B 203 mHIS^C 101 49.55 41.23 10.24 49.30 41.77 9.45 50.65 42.94 11.66 51.23 43.86 11.08 50.68 41.53 11.12 51.99 41.31 10.35 3 0 17.42-999 ?-999 ?-999 ? MN MN B 203 mVAL^C 102 49.99 43.12 12.80 49.57 42.29 13.17 50.50 44.38 14.82 50.18 43.50 15.62 49.88 44.43 13.42 48.40 44.87 13.51 3 0 18.40-999 ?-999 ?-999 ? MN MN B 203 mSER^C 103 51.40 45.32 15.10 51.57 45.97 14.36 51.94 46.75 17.05 51.80 47.77 16.38 52.05 45.37 16.40 53.53 44.99 16.27 2 0 22.07-999 ?-999 ?-999 ? MN MN B 203 mGLU^C 104 52.01 46.76 18.38 52.11 45.84 18.78 53.31 48.53 19.49 54.21 47.78 19.84 51.93 47.98 19.17 51.24 47.72 20.50 2 0 24.43-999 ?-999 ?-999 ? MN MN A 204 mLEU.C 105 53.47 49.85 19.38 52.67 50.33 19.02 54.44 50.97 21.18 53.74 51.97 21.38 54.72 50.49 19.76 55.06 51.67 18.84 3 0 27.62-999 ?-999 ?-999 ? MN MN B 203 mLYS.C 106 54.97 50.25 22.15 55.51 49.48 21.82 55.35 51.89 24.00 56.55 52.14 23.85 54.77 50.55 23.57 55.39 49.43 24.41 2 0 28.44-999 ?-999 ?-999 ? MN MN A 204 mGLY~C 107 54.49 52.76 24.54 53.55 52.45 24.61 54.79 55.17 23.98 54.97 56.34 24.31 54.96 54.06 24.99-999.99-999.99-999.99 1 0 30.20-999 ?-999 ?-999 ? MN MN A 204 mGLY~C 108 54.48 54.81 22.74 54.41 53.82 22.59 55.43 56.72 21.33 56.59 56.33 21.36 54.27 55.81 21.70-999.99-999.99-999.99 1 0 29.75-999 ?-999 ?-999 ? MN MN A 204 mLEU~C 109 55.09 57.96 20.97 54.11 58.15 21.01 57.09 59.23 21.64 58.28 59.38 21.37 56.09 58.93 20.55 55.40 60.23 20.10 3 0 32.76-999 ?-999 ?-999 ? MN MN A 204 mALA~C 110 56.62 59.32 22.88 55.64 59.18 22.97 58.60 58.55 24.20 59.76 58.88 24.41 57.51 59.61 24.00 56.69 59.78 25.29 2 0 34.77-999 ?-999 ?-999 ? MN MN A 204 mALA~C 111 58.21 57.28 24.15 57.23 57.15 23.97 60.19 56.18 23.22 61.35 55.88 23.40 59.17 56.19 24.36 58.44 54.85 24.39 2 0 34.67-999 ?-999 ?-999 ? MN MN A 204 mTRP~C 112 59.70 56.56 22.05 58.73 56.78 22.11 61.55 57.73 20.86 62.72 57.54 20.47 60.46 56.65 20.79 59.48 56.92 19.65 3 0 34.86-999 ?-999 ?-999 ? MN MN B 203 mLYS~C 113 61.16 58.88 21.39 60.21 58.88 21.70 63.05 59.75 22.61 64.17 60.24 22.57 62.03 60.01 21.52 61.14 61.18 21.89 2 0 38.00-999 ?-999 ?-999 ? MN MN B 203 mALA~C 114 62.63 59.01 23.63 61.67 58.71 23.56 64.66 57.79 24.27 65.74 57.79 24.85 63.51 58.69 24.74 62.73 58.00 25.89 2 0 39.65-999 ?-999 ?-999 ? MN MN A 204 mILE~C 115 64.44 56.99 23.24 63.52 57.01 22.84 66.35 56.85 21.71 67.34 56.34 21.21 65.55 56.15 22.80 65.08 54.75 22.32 3 0 39.45-999 ?-999 ?-999 ? MN MN B 203 mGLY.C 116 65.91 58.06 21.38 65.09 58.36 21.86 66.12 58.73 18.94 66.70 59.28 18.01 66.61 58.85 20.37-999.99-999.99-999.99 1 0 40.27-999 ?-999 ?-999 ? MN MN B 203 mGLY.C 117 65.02 58.00 18.76 64.63 57.61 19.60 64.13 59.12 16.73 63.74 60.09 17.37 64.46 57.81 17.44-999.99-999.99-999.99 1 0 36.88-999 ?-999 ?-999 ? MN MN B 203 mPRO.C 118 64.28 59.17 15.39 64.60 58.30 15.02 62.55 60.74 14.45 61.69 59.91 14.21 64.02 60.34 14.54 64.56 59.89 13.19 3 0 36.77-999 ?-999 ?-999 ? MN MN B 203 mTHR^C 119 62.28 62.03 14.65 63.08 62.60 14.85 60.85 63.72 13.60 61.88 64.17 13.09 60.91 62.55 14.57 60.40 63.00 15.95 2 0 35.76-999 ?-999 ?-999 ? MN MN B 203 mGLU^C 120 59.65 64.23 13.35 58.90 63.80 13.85 58.29 66.25 12.59 57.29 65.86 13.19 59.50 65.33 12.40 59.45 64.77 10.98 2 0 35.95-999 ?-999 ?-999 ? MN MN B 203 mLEU.C 121 58.43 67.45 12.03 59.33 67.56 11.59 57.30 69.32 13.31 56.36 70.14 13.38 57.42 68.51 12.02 56.06 67.94 11.64 3 0 36.86-999 ?-999 ?-999 ? MN MN B 203