HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 29-JAN-09 3G16 COMPND UNCHARACTERIZED PROTEIN WITH CYSTATIN-LIKE FOLD; COMPND 3 CHAIN: A, B; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: METHYLIBIUM PETROLEIPHILUM PM1; SOURCE 3 ORGANISM_TAXID: 420662; SOURCE 4 GENE: MPE_A3301, YP_001022489.1; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 6 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 7 EXPRESSION_SYSTEM_STRAIN: HK100; SOURCE 8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 9 EXPRESSION_SYSTEM_PLASMID: SPEEDET AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) HET MSE A 1 8 HET MSE A 11 8 HET MSE A 30 8 HET MSE A 46 8 HET MSE B 11 13 HET MSE B 30 8 HET MSE B 46 8 HET UNL A 156 9 HET CL A 157 1 HET CL A 158 1 HET CL A 159 1 HET GOL A 160 6 HET GOL A 161 6 HET UNL B 156 9 HET CL B 157 1 SITE 1 AC1 11 TYR A 19 CYS A 22 PHE A 42 TYR A 47 SITE 1 AC2 3 ARG A 147 VAL A 148 THR A 149 SITE 1 AC3 3 SER A 150 LYS A 153 GOL A 161 SITE 1 AC4 4 SER A 7 ARG A 8 HOH A 204 HOH B 258 SITE 1 AC5 8 ALA A 32 ASP A 75 HOH A 208 HOH A 308 SITE 1 AC6 6 ARG A 133 LYS A 153 CL A 158 HOH A 300 SITE 1 AC7 11 HOH A 371 TYR B 19 CYS B 22 TYR B 47 SITE 1 AC8 4 LYS A 13 VAL B 148 THR B 149 HOH B 247 mGLY.A 0 45.81 68.22 -0.21 46.78 67.99 -0.30 43.44 67.52 -0.65 43.87 66.55 -1.27 44.37 68.56 -0.06-999.99-999.99-999.99 1 0 24.00-999 ?-999 ?-999 ? CL CL A 159 mMETA 1 42.15 67.73 -0.47 41.94 68.58 0.01 39.82 67.59 -1.12 39.69 68.74 -0.66 41.14 66.82 -0.95 40.96 65.68 0.05 2 0 20.53-999 ?-999 ?-999 ? CL CL A 159 mTHR.A 2 38.86 66.96 -1.80 39.12 66.08 -2.19 36.54 66.47 -1.56 36.51 65.39 -2.18 37.54 67.56 -1.94 37.30 68.02 -3.37 2 0 16.87-999 ?-999 ?-999 ? CL CL A 159 mALA.A 3 35.76 66.68 -0.50 35.91 67.56 -0.04 33.72 65.51 -1.14 33.10 66.49 -1.54 34.77 65.70 -0.06 34.12 66.19 1.23 2 0 14.68-999 ?-999 ?-999 ? CL CL A 159 mPRO.A 4 33.52 64.27 -1.65 34.11 63.54 -1.30 31.07 64.52 -2.15 30.72 64.19 -1.02 32.45 64.13 -2.67 32.43 62.61 -2.95 3 0 11.81-999 ?-999 ?-999 ? CL CL A 159 mTHR.A 5 30.30 65.18 -3.01 30.76 65.49 -3.84 28.11 64.26 -3.34 28.11 64.08 -4.56 28.89 65.42 -2.73 28.43 66.74 -3.33 2 0 8.25-999 ?-999 ?-999 ? CL CL A 159 mLEU.A 6 27.50 63.50 -2.47 27.71 63.71 -1.51 25.27 63.07 -3.27 24.80 63.99 -2.57 26.60 62.43 -2.90 26.34 61.43 -1.79 3 0 7.01-999 ?-999 ?-999 ? CL CL A 159 mSER~A 7 24.64 62.61 -4.34 25.15 61.92 -4.87 22.27 62.62 -3.70 22.44 61.58 -3.03 23.31 63.10 -4.69 22.91 62.64 -6.09 2 0 -3.70-999 ?-999 ?-999 ? CL CL A 159s mARG~A 8 21.17 63.34 -3.61 21.15 64.17 -4.17 19.57 61.55 -3.20 19.31 60.68 -2.39 20.09 62.90 -2.73 18.95 63.91 -2.63 2 0 -4.26-999 ?-999 ?-999 ? CL CL A 159s mALA~A 9 19.42 61.38 -4.50 19.67 62.18 -5.05 19.83 58.94 -4.71 19.36 57.85 -4.45 18.94 60.11 -5.07 18.82 60.21 -6.59 2 0 6.28-999 ?-999 ?-999 ? CL CL A 159 mALA~A 10 21.14 59.16 -4.75 21.41 60.08 -5.03 21.91 57.63 -2.98 21.99 56.45 -2.68 22.08 58.09 -4.41 23.49 58.58 -4.67 2 0 8.02-999 ?-999 ?-999 ? CL CL A 159 mMETA 11 21.75 58.57 -2.08 21.77 59.50 -2.45 20.25 57.55 -0.43 20.16 56.55 0.28 21.58 58.24 -0.65 21.73 59.49 0.22 2 0 9.14-999 ?-999 ?-999 ? CL CL A 159 mGLU~A 12 19.21 58.04 -1.10 19.40 58.83 -1.67 17.95 55.97 -1.44 17.36 55.10 -0.82 17.91 57.41 -0.95 16.84 58.17 -1.73 2 0 10.22-999 ?-999 ?-999 ? CL CL A 159 mLYS~A 13 18.63 55.72 -2.55 19.08 56.52 -2.95 19.39 53.42 -2.17 18.92 52.29 -1.99 18.69 54.38 -3.12 19.33 54.35 -4.51 2 0 -12.09-999 ?-999 ?-999 ? CL CL A 159s mVAL~A 14 20.50 53.83 -1.55 20.84 54.75 -1.79 20.25 52.66 0.62 20.13 51.51 1.07 21.14 52.95 -0.59 22.47 53.56 -0.13 3 0 12.98-999 ?-999 ?-999 ? O5 UNL A 156 mILE~A 15 19.59 53.69 1.14 19.74 54.56 0.68 17.56 52.56 1.97 17.26 51.64 2.74 18.71 53.51 2.29 18.23 54.87 2.78 3 0 9.74-999 ?-999 ?-999 ? O6 UNL A 156 mARG~A 16 16.94 52.74 0.82 17.30 53.48 0.24 16.28 50.42 0.24 15.57 49.44 0.56 15.83 51.89 0.46 15.17 52.44 -0.81 2 0 10.69-999 ?-999 ?-999 ? O5 UNL A 156 mTHR~A 17 17.46 50.27 -0.39 17.91 51.11 -0.68 18.24 48.25 0.76 18.01 47.08 0.95 18.00 48.95 -0.61 19.30 48.98 -1.40 2 0 11.19-999 ?-999 ?-999 ? O5 UNL A 156 mTYR~A 18 18.76 49.02 1.72 18.93 49.96 1.44 17.76 47.99 3.71 17.73 46.89 4.20 19.04 48.53 3.05 19.72 49.63 3.90 3 0 7.87-999 ?-999 ?-999 ? O5 UNL A 156 mTYR~A 19 16.73 48.85 3.73 16.92 49.74 3.33 14.83 47.25 3.60 14.27 46.38 4.22 15.44 48.44 4.33 14.48 49.64 4.45 3 0 -6.17-999 ?-999 ?-999 ? O5 UNL A 156s mASP~A 20 14.95 47.22 2.28 15.37 48.04 1.88 15.21 44.81 2.02 14.64 43.77 2.27 14.49 46.05 1.51 14.76 46.20 0.03 2 0 9.32-999 ?-999 ?-999 ? O5 UNL A 156 mGLY~A 21 16.52 44.92 2.12 16.88 45.81 1.85 16.97 43.36 3.99 16.98 42.17 4.30 17.33 43.81 2.59-999.99-999.99-999.99 1 0 8.97-999 ?-999 ?-999 ? O5 UNL A 156 mCYH~A 22 16.68 44.33 4.85 16.82 45.26 4.51 14.92 43.15 6.11 14.85 42.06 6.67 16.19 43.99 6.19 15.86 45.26 7.00 2 0 -5.87-999 ?-999 ?-999 ? O5 UNL A 156s mASN~A 23 13.92 43.63 5.37 14.09 44.50 4.90 12.81 41.52 4.64 12.11 40.58 4.98 12.66 42.88 5.30 11.54 43.71 4.66 2 0 8.16-999 ?-999 ?-999 ? O5 UNL A 156 mGLU~A 24 13.75 41.44 3.70 14.26 42.29 3.56 14.96 39.27 3.68 15.26 38.16 3.16 14.02 40.21 2.95 14.58 40.56 1.55 2 0 11.09-999 ?-999 ?-999 ? O5 UNL A 156 mALA.A 25 15.46 39.67 4.84 15.13 40.56 5.17 17.58 38.43 4.64 18.03 37.30 4.64 16.42 38.84 5.56 15.72 37.63 6.19 2 0 10.43-999 ?-999 ?-999 ? O5 UNL A 156 mASP~A 26 18.05 39.37 3.83 17.61 40.26 3.98 20.36 39.78 3.30 20.55 40.99 3.13 19.09 39.13 2.82 18.60 39.65 1.47 2 0 12.05-999 ?-999 ?-999 ? O5 UNL A 156 mGLU~A 27 21.23 39.00 3.93 20.96 38.04 3.98 23.37 40.16 3.46 23.89 41.25 3.69 22.47 39.53 4.49 23.21 38.45 5.23 2 0 12.06-999 ?-999 ?-999 ? O5 UNL A 156 mALA~A 28 23.53 39.51 2.33 23.04 38.64 2.26 23.88 41.44 0.81 24.66 42.37 0.60 24.37 40.07 1.28 24.48 39.06 0.09 2 0 14.56-999 ?-999 ?-999 ? O5 UNL A 156 mLYS~A 29 22.57 41.57 0.64 22.02 40.75 0.85 22.24 43.90 1.21 22.66 45.03 0.86 21.99 42.79 0.18 20.51 42.57 -0.05 2 0 12.83-999 ?-999 ?-999 ? O5 UNL A 156 mMETA 30 22.03 43.59 2.48 21.73 42.65 2.64 23.74 44.98 3.60 24.08 46.15 3.70 22.26 44.58 3.52 21.76 44.07 4.87 2 0 9.74-999 ?-999 ?-999 ? O5 UNL A 156 mILE~A 31 24.64 44.01 3.58 24.25 43.09 3.45 26.56 45.23 2.64 27.43 46.08 2.90 26.05 44.27 3.71 26.84 42.92 3.68 3 0 12.41-999 ?-999 ?-999 ? O5 UNL A 156 mALA~A 32 26.00 45.11 1.43 25.28 44.41 1.38 26.03 47.41 0.45 26.49 48.26 -0.31 26.41 45.94 0.30 25.83 45.38 -0.98 2 0 -14.44-999 ?-999 ?-999 ? O5 UNL A 156s mCYH.A 33 25.18 47.72 1.45 24.86 46.95 2.00 25.67 49.86 2.63 25.45 51.05 2.86 24.79 49.09 1.67 23.39 49.11 2.28 2 0 12.22-999 ?-999 ?-999 ? O5 UNL A 156 mPHE^A 34 26.63 49.15 3.23 26.68 48.20 2.93 28.99 49.60 3.92 29.40 48.66 3.24 27.52 49.71 4.23 27.39 48.89 5.53 3 0 12.90-999 ?-999 ?-999 ? O5 UNL A 156 mVAL^A 35 29.79 50.51 4.44 29.34 51.34 4.76 31.38 49.05 5.49 30.60 48.91 6.44 31.23 50.25 4.51 32.07 51.44 4.97 3 0 16.18-999 ?-999 ?-999 ? O5 UNL A 156 mPRO^A 36 32.38 48.20 5.30 33.01 48.44 4.56 32.54 47.26 7.64 31.98 46.45 8.42 32.50 46.99 6.16 33.80 46.34 5.66 3 0 16.76-999 ?-999 ?-999 ? O5 UNL A 156 mGLU^A 37 33.15 48.34 8.04 33.50 48.91 7.29 32.15 49.49 10.03 32.28 49.99 11.16 33.31 48.68 9.44 34.65 49.43 9.62 2 0 17.02-999 ?-999 ?-999 ? O5 UNL A 156 mALA^A 38 31.06 49.64 9.30 31.06 49.18 8.41 29.47 49.94 11.16 29.48 48.73 11.44 29.95 50.43 9.80 28.77 50.37 8.82 2 0 13.84-999 ?-999 ?-999 ? O5 UNL A 156 mVAL^A 39 29.04 50.88 11.98 29.12 51.80 11.60 27.08 51.12 13.42 26.76 52.23 12.97 28.51 50.58 13.32 29.37 51.15 14.44 3 0 11.76-999 ?-999 ?-999 ? O3 UNL A 156 mHIS^A 40 26.19 50.32 14.01 26.57 49.41 14.20 24.74 50.88 15.86 25.12 49.95 16.61 24.82 50.74 14.34 23.82 49.68 13.92 3 0 8.04-999 ?-999 ?-999 ? O3 UNL A 156 mTYR^A 41 24.29 52.04 16.33 24.10 52.70 15.61 22.62 52.35 18.05 21.78 52.71 17.19 24.10 52.32 17.75 24.73 53.65 18.10 3 0 8.37-999 ?-999 ?-999 ? O3 UNL A 156 mPHE.A 42 22.33 52.09 19.32 23.14 51.95 19.89 20.94 52.60 21.24 21.97 52.77 21.84 20.96 52.00 19.85 20.51 50.51 19.97 3 0 -6.46-999 ?-999 ?-999 ? O1 UNL A 156s mPRO.A 43 19.73 52.85 21.74 18.93 52.74 21.14 20.49 52.32 24.04 20.42 51.09 23.84 19.70 53.27 23.14 18.21 53.27 23.45 3 0 8.32-999 ?-999 ?-999 ? O1 UNL A 156 mALA.A 44 21.16 52.83 25.06 21.12 53.83 25.13 20.85 51.02 26.62 19.69 51.43 26.91 21.90 51.95 25.99 22.67 52.72 27.05 2 0 11.06-999 ?-999 ?-999 ? O1 UNL A 156 mGLY.A 45 21.21 49.76 26.73 22.14 49.59 26.39 19.74 47.88 26.21 19.14 46.83 26.53 20.34 48.74 27.27-999.99-999.99-999.99 1 0 11.01-999 ?-999 ?-999 ? O1 UNL A 156 mMETA 46 19.91 48.26 24.95 20.47 49.08 24.83 20.34 46.66 23.10 21.41 47.14 22.74 19.34 47.52 23.85 18.71 48.45 22.82 2 0 7.59-999 ?-999 ?-999 ? O1 UNL A 156 mTYR.A 47 19.95 45.40 22.91 19.12 45.16 23.42 22.06 44.25 22.49 22.92 43.92 21.67 20.63 44.46 22.04 20.53 44.89 20.55 3 0 -8.02-999 ?-999 ?-999 ? O1 UNL A 156s mGLY.A 48 22.32 44.43 23.78 21.50 44.69 24.30 24.69 45.26 24.03 25.81 45.14 24.46 23.62 44.27 24.39-999.99-999.99-999.99 1 0 11.45-999 ?-999 ?-999 ? O1 UNL A 156 mGLY.A 49 24.32 46.31 23.27 23.35 46.35 23.04 25.19 47.47 21.31 24.24 47.08 20.67 25.27 47.29 22.82-999.99-999.99-999.99 1 0 10.97-999 ?-999 ?-999 ? O1 UNL A 156 mALA.A 50 26.22 48.12 20.78 26.95 48.33 21.44 26.43 47.21 18.51 26.90 46.15 18.99 26.24 48.46 19.35 27.42 49.41 19.06 2 0 10.47-999 ?-999 ?-999 ? O1 UNL A 156 mPHE^A 51 26.09 47.34 17.24 25.64 48.22 17.04 27.60 46.72 15.46 27.60 47.73 14.73 26.34 46.29 16.23 25.18 46.09 15.26 3 0 10.64-999 ?-999 ?-999 ? O3 UNL A 156 mARG^A 52 28.67 45.99 15.61 28.50 45.15 16.14 30.28 45.67 13.76 30.64 44.49 13.75 29.97 46.38 15.06 31.06 46.08 16.06 2 0 13.83-999 ?-999 ?-999 ? O3 UNL A 156 mGLY~A 53 30.12 46.40 12.66 29.77 47.32 12.81 29.21 45.57 10.54 28.17 45.12 11.05 30.43 45.90 11.35-999.99-999.99-999.99 1 0 14.30-999 ?-999 ?-999 ? O5 UNL A 156 mALA~A 54 29.29 45.80 9.23 30.16 46.17 8.91 27.64 44.10 8.48 26.43 43.86 8.42 28.17 45.53 8.35 28.62 45.80 6.90 2 0 12.28-999 ?-999 ?-999 ? O5 UNL A 156 mALA~A 55 28.56 43.13 8.56 29.51 43.44 8.59 27.32 41.44 9.85 26.43 40.60 9.85 28.14 41.72 8.61 29.38 40.78 8.55 2 0 13.52-999 ?-999 ?-999 ? O5 UNL A 156 mGLN~A 56 27.66 42.11 10.94 28.42 42.73 10.79 25.58 42.58 12.18 24.60 42.02 12.69 26.96 41.93 12.21 27.80 42.48 13.35 2 0 12.40-999 ?-999 ?-999 ? O5 UNL A 156 mILE~A 57 25.49 43.78 11.62 26.35 44.19 11.33 23.30 43.49 10.67 22.17 43.20 11.07 24.19 44.42 11.47 24.39 45.78 10.73 3 0 8.72-999 ?-999 ?-999 ? O5 UNL A 156 mALA~A 58 23.80 42.97 9.54 24.75 43.21 9.35 22.57 40.84 9.33 21.41 40.42 9.22 23.01 42.14 8.66 23.80 41.86 7.34 2 0 9.09-999 ?-999 ?-999 ? O5 UNL A 156 mHIS~A 59 23.50 40.20 10.05 24.39 40.64 10.09 22.10 39.12 11.75 21.17 38.29 11.88 23.18 38.93 10.69 24.45 38.34 11.32 3 0 11.42-999 ?-999 ?-999 ? O5 UNL A 156 mARG~A 60 22.22 40.20 12.52 22.96 40.83 12.29 19.89 40.78 13.10 18.90 40.28 13.63 21.29 40.42 13.62 21.89 41.42 14.61 2 0 9.58-999 ?-999 ?-999 ? O4 UNL A 156 mTRP~A 61 19.81 41.54 12.02 20.67 41.89 11.66 17.92 40.53 10.82 16.73 40.29 10.91 18.48 41.80 11.46 18.47 42.95 10.48 3 0 -6.70-999 ?-999 ?-999 ? O5 UNL A 156s mARG~A 62 18.74 39.68 10.19 19.70 39.96 10.12 17.63 37.61 10.79 16.53 37.04 10.64 18.23 38.44 9.65 19.34 37.67 8.98 2 0 9.83-999 ?-999 ?-999 ? O5 UNL A 156 mTHR~A 63 18.29 37.55 11.94 19.14 38.07 11.97 16.45 37.40 13.55 15.53 36.65 13.92 17.73 36.76 13.04 18.70 36.49 14.22 2 0 11.68-999 ?-999 ?-999 ? O5 UNL A 156 mALA~A 64 16.35 38.72 13.53 17.16 39.20 13.21 13.96 38.98 13.06 12.83 38.72 13.54 15.12 39.37 13.96 15.27 40.90 13.98 2 0 9.32-999 ?-999 ?-999 ? O8 UNL A 156 mVAL~A 65 14.18 38.99 11.76 15.09 39.29 11.48 12.66 37.13 11.15 11.47 36.82 11.23 13.10 38.57 10.86 13.52 38.74 9.40 3 0 10.03-999 ?-999 ?-999 ? O5 UNL A 156 mGLU~A 66 13.64 36.26 11.35 14.56 36.64 11.34 12.62 34.60 12.84 11.65 33.78 12.87 13.34 34.85 11.56 14.62 34.02 11.55 2 0 13.60-999 ?-999 ?-999 ? O5 UNL A 156 mTHR~A 67 13.03 35.28 13.89 13.73 35.97 13.69 11.29 35.85 15.62 10.38 35.38 16.30 12.47 34.99 15.22 13.55 35.11 16.30 2 0 13.58-999 ?-999 ?-999 ? O7 UNL A 156 mLEU~A 68 11.30 37.13 15.21 12.08 37.38 14.63 9.26 38.34 14.45 8.20 38.92 14.70 10.26 38.05 15.59 10.86 39.39 16.00 3 0 11.28-999 ?-999 ?-999 ? O7 UNL A 156 mGLY~A 69 9.60 37.96 13.24 10.42 37.39 13.19 8.95 39.85 11.80 8.05 40.47 11.19 8.80 38.36 12.09-999.99-999.99-999.99 1 0 12.40-999 ?-999 ?-999 ? O5 UNL A 156 mSER^A 70 10.06 40.47 12.22 10.72 39.86 12.67 10.01 42.34 10.63 10.36 41.68 9.67 10.29 41.88 12.06 11.72 42.19 12.37 2 0 8.80-999 ?-999 ?-999 ? O5 UNL A 156 mTYR^A 71 9.32 43.46 10.54 9.00 43.81 11.42 9.19 45.59 9.52 8.55 46.12 10.43 9.08 44.11 9.25 7.70 43.78 8.73 3 0 8.34-999 ?-999 ?-999 ? O5 UNL A 156 mTRP^A 72 10.00 46.28 8.74 10.42 45.74 8.01 9.64 48.53 7.80 9.67 48.15 6.64 10.25 47.69 8.91 11.77 47.92 8.89 3 0 -6.27-999 ?-999 ?-999 ? O5 UNL A 156s mTHR^A 73 9.19 49.71 8.15 9.21 49.86 9.14 9.50 51.99 7.36 9.88 52.39 8.49 8.73 50.69 7.20 7.22 50.96 7.31 2 0 7.88-999 ?-999 ?-999 ? O3 GOL A 160 mILE^A 74 9.72 52.68 6.24 9.45 52.20 5.41 9.11 54.95 6.21 8.33 54.96 5.25 10.30 54.02 6.21 11.16 54.26 4.98 3 0 6.45-999 ?-999 ?-999 ? O3 GOL A 160 mASP^A 75 8.93 55.70 7.29 9.65 55.59 7.98 8.10 58.03 7.05 7.20 58.78 6.65 7.80 56.59 7.44 7.30 56.52 8.87 2 0 -3.51-999 ?-999 ?-999 ? O3 GOL A 160s mALA^A 76 9.34 58.46 7.23 9.92 57.79 7.69 11.23 59.66 6.46 11.96 58.88 7.09 9.78 59.78 6.78 9.53 60.89 7.86 2 0 5.62-999 ?-999 ?-999 ? O3 GOL A 160 mLEU^A 77 11.70 60.41 5.48 11.03 61.03 5.09 13.59 61.73 4.77 13.03 62.45 3.93 13.08 60.32 5.03 13.15 59.44 3.78 3 0 8.81-999 ?-999 ?-999 ? O3 GOL A 160 mVAL^A 78 14.62 62.16 5.50 14.97 61.45 6.11 16.60 63.33 4.91 17.38 62.61 5.51 15.18 63.49 5.43 15.24 64.12 6.84 3 0 11.46-999 ?-999 ?-999 ? O2 GOL A 160 mILE^A 79 16.91 63.92 3.77 16.18 64.47 3.38 18.93 65.07 2.95 18.37 66.02 2.39 18.22 63.74 3.14 18.12 62.97 1.79 3 0 9.37-999 ?-999 ?-999 ? CL CL A 159 mASP^A 80 20.16 65.12 3.45 20.47 64.25 3.82 22.22 66.16 2.57 23.24 65.59 3.01 20.97 66.36 3.44 21.33 66.74 4.88 2 0 8.94-999 ?-999 ?-999 ? CL CL A 159 mALA.A 81 22.17 66.68 1.33 21.31 67.13 1.08 24.50 67.46 0.87 25.61 67.26 0.43 23.33 66.56 0.46 22.94 66.82 -0.98 2 0 6.36-999 ?-999 ?-999 ? CL CL A 159 mGLU.A 82 24.28 68.47 1.70 23.32 68.60 1.98 26.28 68.54 3.08 27.48 68.69 3.02 25.38 69.30 2.13 24.85 70.56 2.85 2 0 9.33-999 ?-999 ?-999 ? CL CL A 159 mTHR.A 83 25.68 67.72 3.94 24.69 67.66 3.81 26.63 65.50 4.67 27.30 64.81 5.40 26.43 66.99 4.96 25.72 67.13 6.34 2 0 11.76-999 ?-999 ?-999 ? CL CL A 159 mALA.A 84 25.98 65.01 3.62 25.48 65.70 3.08 25.47 62.78 4.47 26.07 61.78 4.91 26.00 63.59 3.29 27.42 63.11 2.80 2 0 10.31-999 ?-999 ?-999 ? CL CL A 159 mGLU^A 85 24.34 63.23 4.99 23.98 64.06 4.56 22.21 62.49 5.81 21.68 63.27 4.98 23.68 62.57 6.10 23.90 63.31 7.43 2 0 12.35-999 ?-999 ?-999 ? CL CL A 159 mALA^A 86 21.54 61.54 6.45 22.12 60.94 7.01 19.52 61.09 7.74 20.22 60.75 8.67 20.10 61.39 6.36 19.71 60.29 5.38 2 0 12.75-999 ?-999 ?-999 ? CL CL A 159 mALA^A 87 18.21 61.23 7.83 17.78 61.63 7.02 16.25 60.09 8.52 15.64 60.45 7.53 17.49 60.82 9.02 17.11 62.00 9.95 2 0 10.77-999 ?-999 ?-999 ? O9 UNL A 156 mILE^A 88 15.87 59.06 9.25 16.42 58.93 10.07 13.83 58.03 10.08 14.31 57.68 11.19 14.76 58.19 8.88 15.24 56.77 8.49 3 0 8.15-999 ?-999 ?-999 ? O9 UNL A 156 mGLU^A 89 12.53 58.27 9.91 12.32 58.70 9.03 11.01 56.58 10.46 10.69 56.43 9.27 11.52 57.92 10.92 10.37 58.92 10.98 2 0 8.21-999 ?-999 ?-999 ? O9 UNL A 156 mTRP^A 90 11.01 55.60 11.35 11.23 55.88 12.29 9.78 53.53 11.94 9.55 54.00 13.07 10.73 54.24 10.98 12.07 53.44 10.86 3 0 -5.88-999 ?-999 ?-999 ? O9 UNL A 156s mTHR^A 91 9.29 52.38 11.52 9.51 52.17 10.57 9.10 50.12 12.24 9.37 49.65 11.13 8.50 51.51 12.37 7.01 51.47 11.99 2 0 6.87-999 ?-999 ?-999 ? O9 UNL A 156 mHIS^A 92 9.30 49.49 13.39 9.13 50.07 14.19 8.50 47.33 14.02 8.12 47.43 15.19 9.73 48.11 13.51 10.93 48.02 14.47 3 0 -5.35-999 ?-999 ?-999 ? O2 UNL A 156s mPHE^A 93 7.86 46.59 13.13 8.22 46.66 12.20 7.30 44.41 13.91 7.88 43.70 13.11 6.73 45.75 13.48 5.79 45.54 12.28 3 0 8.93-999 ?-999 ?-999 ? O2 UNL A 156 mLYS^A 94 7.14 44.08 15.18 6.70 44.79 15.73 6.36 41.88 15.55 5.64 41.57 16.50 7.58 42.77 15.71 8.02 42.91 17.16 2 0 9.24-999 ?-999 ?-999 ? O7 UNL A 156 mTHR.A 95 6.14 41.45 14.32 6.91 41.59 13.69 4.47 39.70 14.80 3.30 39.64 15.23 4.92 40.84 13.91 5.02 40.36 12.44 2 0 12.51-999 ?-999 ?-999 ? CL CL B 157 mASN~A 96 5.41 38.78 15.06 6.33 38.99 14.74 4.76 37.78 17.24 4.20 36.89 17.89 5.03 37.56 15.76 6.10 36.51 15.56 2 0 14.61-999 ?-999 ?-999 ? O7 UNL A 156 mGLN~A 97 5.13 38.93 17.76 5.62 39.49 17.09 3.66 40.28 19.25 3.26 40.67 20.36 4.85 39.32 19.16 6.06 40.03 19.76 2 0 13.65-999 ?-999 ?-999 ? O7 UNL A 156 mASP~A 98 3.11 40.67 18.11 3.47 40.22 17.29 2.49 42.94 18.76 1.72 43.53 19.53 2.07 41.66 18.02 0.74 41.13 18.59 2 0 13.17-999 ?-999 ?-999 ? CL CL B 157 mLYS^A 99 3.72 43.38 18.50 4.23 42.80 17.87 4.74 45.53 17.99 5.09 45.09 16.88 4.25 44.61 19.09 5.40 44.34 20.05 2 0 11.50-999 ?-999 ?-999 ? O7 UNL A 156 mVAL^A 100 4.66 46.81 18.29 4.29 46.98 19.20 6.04 48.79 18.10 5.78 49.19 19.25 5.07 47.86 17.38 3.88 48.70 16.90 3 0 9.89-999 ?-999 ?-999 ? O7 UNL A 156 mLEU^A 101 7.18 49.04 17.49 7.30 48.54 16.64 8.45 51.01 16.93 8.84 50.62 15.84 8.17 49.99 18.03 9.46 49.29 18.42 3 0 7.09-999 ?-999 ?-999 ? O7 UNL A 156 mARG^A 102 8.22 52.29 17.19 7.79 52.47 18.08 9.76 54.12 16.77 10.05 54.15 17.95 8.56 53.34 16.25 7.38 54.25 16.03 2 0 7.93-999 ?-999 ?-999 ? O2 UNL A 156 mGLY^A 103 10.46 54.75 15.87 10.11 54.65 14.94 12.17 56.35 15.09 11.53 56.48 14.04 11.64 55.52 16.21-999.99-999.99-999.99 1 0 7.23-999 ?-999 ?-999 ? O9 UNL A 156 mALA^A 104 13.37 56.89 15.28 13.76 56.72 16.19 15.51 57.40 14.35 16.00 57.01 15.42 14.03 57.66 14.24 13.71 59.14 14.35 2 0 7.30-999 ?-999 ?-999 ? O9 UNL A 156 mGLU^A 105 16.21 57.54 13.24 15.69 57.80 12.42 18.40 58.28 12.38 17.88 58.73 11.36 17.65 57.33 13.27 18.00 55.90 12.93 2 0 -6.98-999 ?-999 ?-999 ? O3 UNL A 156s mCYH^A 106 19.62 58.61 12.80 19.85 58.26 13.71 21.44 58.49 11.25 21.93 57.49 11.82 20.54 59.42 12.00 21.37 60.30 12.90 2 0 9.96-999 ?-999 ?-999 ? O3 UNL A 156 mVAL^A 107 21.67 58.79 9.97 21.23 59.63 9.66 23.59 58.78 8.52 23.32 59.84 7.90 22.49 57.95 9.10 21.61 57.38 7.96 3 0 10.34-999 ?-999 ?-999 ? O6 UNL A 156 mGLU^A 108 24.85 58.38 8.72 24.94 57.59 9.33 26.45 58.21 6.91 26.61 57.01 7.02 25.98 59.03 8.09 27.16 59.18 9.04 2 0 13.69-999 ?-999 ?-999 ? O6 UNL A 156 mPHE^A 109 26.73 58.90 5.79 26.46 59.86 5.81 28.85 58.53 4.64 29.35 59.56 5.08 27.36 58.29 4.65 26.75 58.82 3.36 3 0 14.17-999 ?-999 ?-999 ? CL CL A 159 mASP.A 110 29.54 57.53 4.13 29.00 56.69 4.06 30.90 58.22 2.30 30.52 57.54 1.36 30.95 57.64 3.72 31.61 56.27 3.71 2 0 15.83-999 ?-999 ?-999 ? CL CL A 159 mARG.A 111 31.32 59.47 2.16 31.64 59.88 3.01 32.21 59.46 -0.17 31.90 59.49 -1.36 31.31 60.14 0.85 31.72 61.58 0.98 2 0 13.33-999 ?-999 ?-999 ? CL CL A 159 mALA.A 112 33.29 58.83 0.30 33.36 58.82 1.30 33.78 56.96 -1.23 34.37 56.53 -2.23 34.29 58.23 -0.58 35.58 57.95 0.22 2 0 16.04-999 ?-999 ?-999 ? CL CL A 159 mSER.A 113 32.72 56.34 -0.71 32.35 56.77 0.11 30.69 55.23 -1.63 30.21 54.43 -2.44 32.16 55.12 -1.29 32.37 53.92 -0.35 2 0 16.03-999 ?-999 ?-999 ? CL CL A 159 mGLY.A 114 29.95 56.15 -1.01 30.46 56.72 -0.37 27.70 55.34 -0.43 26.49 55.22 -0.62 28.53 56.31 -1.24-999.99-999.99-999.99 1 0 12.89-999 ?-999 ?-999 ? CL CL A 159 mLEU.A 115 28.33 54.72 0.59 29.28 54.99 0.71 27.53 54.25 2.87 28.15 55.21 3.25 27.66 53.74 1.43 28.43 52.43 1.41 3 0 15.50-999 ?-999 ?-999 ? CL CL A 159 mILE^A 116 26.68 53.59 3.65 26.25 52.80 3.22 27.60 53.63 5.91 28.08 52.49 5.86 26.42 54.00 5.03 25.14 53.34 5.55 3 0 12.64-999 ?-999 ?-999 ? O6 UNL A 156 mARG^A 117 28.02 54.57 6.75 27.54 55.44 6.66 28.65 54.20 9.14 29.33 53.62 9.95 29.12 54.30 7.70 30.26 55.34 7.57 2 0 14.19-999 ?-999 ?-999 ? O6 UNL A 156 mGLU^A 118 27.50 54.76 9.46 27.02 55.18 8.69 25.54 55.02 10.88 25.04 55.83 10.10 27.02 54.75 10.83 27.73 55.85 11.62 2 0 11.59-999 ?-999 ?-999 ? O3 UNL A 156 mILE^A 119 24.86 54.36 11.82 25.41 53.69 12.32 23.29 54.77 13.61 23.89 53.97 14.37 23.43 54.61 12.10 22.49 53.50 11.57 3 0 8.10-999 ?-999 ?-999 ? O3 UNL A 156 mARG^A 120 22.58 55.80 14.05 22.25 56.38 13.31 20.80 56.07 15.63 20.17 56.98 15.11 22.31 56.04 15.49 22.95 57.35 15.92 2 0 7.98-999 ?-999 ?-999 ? O3 UNL A 156 mALA^A 121 20.25 55.09 16.37 20.89 54.48 16.82 18.25 55.35 17.86 18.87 55.10 18.89 18.79 54.97 16.48 18.34 53.54 16.17 2 0 5.48-999 ?-999 ?-999 ? O3 UNL A 156 mPHE^A 122 17.06 55.95 17.81 16.71 55.99 16.87 14.92 55.97 18.89 14.42 55.69 17.79 16.33 56.49 18.96 16.33 58.01 18.92 3 0 7.75-999 ?-999 ?-999 ? O3 UNL A 156 mTYR^A 123 14.26 55.87 20.03 14.73 56.27 20.81 11.84 56.11 20.61 12.06 56.97 21.47 12.95 55.24 20.11 13.00 54.05 21.07 3 0 -7.69-999 ?-999 ?-999 ? O1 UNL A 156s mALA.A 124 10.61 55.81 20.16 10.58 55.16 19.41 9.07 55.62 22.01 7.98 55.03 22.11 9.42 56.41 20.75 8.25 56.36 19.75 2 0 10.59-999 ?-999 ?-999 ? O7 UNL A 156 mSER.A 125 9.99 55.60 22.97 10.81 56.13 22.76 10.02 55.87 25.36 10.90 56.73 25.27 9.81 54.88 24.21 10.78 53.71 24.25 2 0 11.10-999 ?-999 ?-999 ? O7 UNL B 156 mPRO.A 126 9.22 55.79 26.42 8.53 55.06 26.41 10.76 56.64 28.17 11.41 55.60 28.14 9.40 56.76 27.48 8.24 56.43 28.44 3 0 9.26-999 ?-999 ?-999 ? O7 UNL B 156 mGLN.A 127 11.15 57.71 28.85 10.52 58.48 28.82 12.37 56.66 30.66 11.41 56.60 31.45 12.39 57.72 29.59 12.60 59.06 30.23 2 0 8.75-999 ?-999 ?-999 ? O7 UNL B 156 mALA.A 128 13.41 55.84 30.70 14.10 56.03 30.00 13.76 55.42 33.07 14.57 56.31 33.22 13.52 54.77 31.70 14.67 53.80 31.36 2 0 12.32-999 ?-999 ?-999 ? O6 UNL B 156 mGLU.A 129 13.03 54.96 34.08 12.43 54.20 33.83 14.44 55.27 36.10 14.99 54.18 35.95 13.13 55.56 35.42 11.96 55.12 36.29 2 0 13.52-999 ?-999 ?-999 ? O6 UNL B 156 mGLY.A 130 14.94 56.28 36.81 14.41 57.12 36.75 17.45 55.87 36.86 18.40 55.29 37.42 16.17 56.15 37.60-999.99-999.99-999.99 1 0 11.28-999 ?-999 ?-999 ? C1 GOL A 161 mILE.A 131 17.50 56.22 35.58 16.64 56.59 35.21 19.26 57.49 34.61 18.58 58.33 34.04 18.71 56.07 34.81 18.46 55.42 33.44 3 0 8.98-999 ?-999 ?-999 ? C1 GOL A 161 mALA.A 132 20.47 57.71 35.12 20.89 56.89 35.50 21.43 59.50 33.71 21.27 60.71 33.42 21.10 59.03 35.11 22.39 59.01 35.95 2 0 5.24-999 ?-999 ?-999 ? C1 GOL A 161 mARG^A 133 21.90 58.60 32.84 21.97 57.67 33.20 21.57 58.06 30.50 21.87 56.86 30.40 22.26 58.94 31.49 23.75 58.78 31.26 2 0 -5.52-999 ?-999 ?-999 ? C1 GOL A 161s mLEU^A 134 20.67 58.62 29.76 20.54 59.58 30.00 20.55 58.36 27.39 20.24 59.42 26.87 19.93 57.93 28.72 18.45 58.27 28.84 3 0 9.14-999 ?-999 ?-999 ? C1 GOL A 161 mGLU.A 135 21.46 57.55 26.86 21.58 56.68 27.34 22.52 56.59 24.92 22.11 55.53 25.36 22.21 57.88 25.69 23.46 58.70 26.04 2 0 10.37-999 ?-999 ?-999 ? O1 GOL A 161 mLEU.A 136 23.18 56.69 23.77 23.46 57.62 23.52 24.52 54.65 23.60 25.52 55.13 24.09 23.46 55.51 22.96 23.94 55.95 21.60 3 0 11.56-999 ?-999 ?-999 ? O1 UNL A 156 mGLY.A 137 24.26 53.34 23.56 23.38 53.09 23.17 26.48 52.31 23.19 26.42 52.27 21.96 25.23 52.38 24.06-999.99-999.99-999.99 1 0 12.04-999 ?-999 ?-999 ? O1 UNL A 156 mASP.A 138 27.62 52.29 23.85 27.50 52.37 24.84 29.39 53.35 22.36 30.44 53.27 21.70 28.92 52.16 23.20 29.03 50.87 22.37 2 0 14.64-999 ?-999 ?-999 ? O1 UNL A 156 mPHE.A 139 28.61 54.42 22.33 27.80 54.35 22.92 29.98 56.45 22.24 29.77 56.79 23.43 28.97 55.58 21.50 27.72 56.35 21.13 3 0 14.44-999 ?-999 ?-999 ? CL CL A 157 mASP.A 140 31.09 56.78 21.57 31.12 56.47 20.62 31.83 59.04 22.17 32.39 59.81 21.41 32.15 57.55 22.20 33.45 57.25 21.46 2 0 12.15-999 ?-999 ?-999 ? CL CL A 157 mTYR.A 141 30.90 59.44 23.02 30.50 58.73 23.60 31.69 61.81 23.23 31.78 62.79 22.55 30.51 60.85 23.04 29.45 61.10 24.13 3 0 8.95-999 ?-999 ?-999 ? CL CL A 157 mALA.A 142 32.53 61.50 24.21 32.33 60.66 24.71 34.60 62.51 23.29 34.92 63.61 22.84 33.66 62.37 24.50 34.40 61.85 25.72 2 0 7.15-999 ?-999 ?-999 ? CL CL A 157 mGLY.A 143 34.96 61.37 22.70 34.54 60.54 23.08 35.33 61.97 20.32 36.04 62.47 19.47 35.91 61.38 21.60-999.99-999.99-999.99 1 0 10.36-999 ?-999 ?-999 ? CL CL A 157 mARG.A 144 34.01 61.92 20.19 33.52 61.50 20.96 32.99 63.93 19.14 32.35 64.50 18.24 33.34 62.45 19.03 32.08 61.61 18.74 2 0 10.87-999 ?-999 ?-999 ? CL CL A 157 mGLY.A 145 33.35 64.55 20.27 33.76 63.97 20.98 31.77 66.40 20.88 31.43 67.58 20.82 33.14 65.98 20.39-999.99-999.99-999.99 1 0 8.18-999 ?-999 ?-999 ? CL CL A 157 mTYR.A 146 30.98 65.44 21.34 31.34 64.51 21.27 29.89 66.21 23.36 30.81 65.80 24.05 29.69 65.74 21.91 28.81 64.48 21.97 3 0 6.90-999 ?-999 ?-999 ? CL CL A 157 mARG.A 147 29.00 67.05 23.87 28.30 67.40 23.24 28.75 66.19 26.10 27.82 65.41 25.77 29.08 67.41 25.24 28.06 68.52 25.61 2 0 -3.83-999 ?-999 ?-999 ? CL CL A 157s mVAL.A 148 29.43 66.07 27.23 30.09 66.80 27.39 28.58 65.49 29.45 27.76 64.78 30.01 29.24 65.01 28.16 30.55 64.25 28.42 3 0 -3.89-999 ?-999 ?-999 ? CL CL A 157s mTHR.A 149 28.92 66.69 29.89 29.61 67.15 29.33 27.64 68.60 30.72 28.01 69.24 29.74 28.32 67.27 31.10 29.32 67.40 32.23 2 0 -3.79-999 ?-999 ?-999 ? CL CL A 158s mSER.A 150 26.67 68.99 31.50 26.52 68.41 32.31 26.70 71.41 31.01 27.55 71.72 31.83 25.88 70.16 31.22 24.97 70.45 32.38 2 0 -4.17-999 ?-999 ?-999 ? CL CL A 158s mPRO.A 151 26.44 72.14 29.92 25.82 71.72 29.27 26.78 74.46 30.87 27.52 75.47 30.97 27.06 73.46 29.74 26.49 73.90 28.39 3 0 7.12-999 ?-999 ?-999 ? CL CL A 157 mARG.A 152 25.80 74.20 31.72 25.27 73.38 31.51 26.49 74.84 34.01 26.53 75.64 34.97 25.55 75.05 32.85 24.09 74.99 33.32 2 0 8.20-999 ?-999 ?-999 ? CL CL A 158 mLYS.A 153 27.23 73.73 33.99 27.01 73.13 33.22 29.61 73.96 34.54 30.02 73.64 33.40 28.25 73.44 35.01 28.38 71.94 35.28 2 0 7.10-999 ?-999 ?-999 ? CL CL A 158s mPRO.A 154 30.32 74.77 35.33 29.90 74.95 36.22 32.56 74.22 34.44 32.64 73.21 35.06 31.61 75.31 34.88 32.11 76.06 36.11 3 0 9.85-999 ?-999 ?-999 ? CL CL A 157 mALA.A 155 33.27 74.51 33.34 33.10 75.44 33.01 35.49 74.22 32.35 35.65 75.46 32.41 34.19 73.55 32.69 33.56 73.02 31.42 2 0 7.57-999 ?-999 ?-999 ? CL CL A 157 mPRO.B 4 6.26 77.31 -1.69 5.45 76.74 -1.56 8.76 77.51 -1.39 8.74 76.60 -0.54 7.45 78.16 -1.89 7.13 79.44 -1.09 3 0 18.67-999 ?-999 ?-999 ? CL CL A 159 mTHR.B 5 9.88 78.00 -1.91 9.74 78.75 -2.56 11.70 78.00 -0.21 11.45 79.14 0.18 11.21 77.47 -1.55 12.27 77.74 -2.65 2 0 15.68-999 ?-999 ?-999 ? CL CL A 159 mLEU.B 6 12.42 77.14 0.47 12.57 76.27 0.00 14.35 76.87 1.71 14.54 75.72 1.36 12.94 77.43 1.78 12.03 76.73 2.78 3 0 15.84-999 ?-999 ?-999 ? CL CL A 159 mSER~B 7 15.34 77.70 1.96 15.06 78.63 2.21 17.18 76.48 3.11 16.62 76.63 4.20 16.72 77.26 1.87 17.66 78.45 1.68 2 0 14.17-999 ?-999 ?-999 ? CL CL A 159 mARG~B 8 18.22 75.68 2.92 18.53 75.62 1.97 19.29 75.96 5.11 19.06 75.75 6.30 18.82 74.96 4.02 20.02 74.12 3.54 2 0 13.28-999 ?-999 ?-999 ? CL CL A 159 mALA~B 9 19.90 77.07 4.69 20.00 77.14 3.69 19.24 78.73 6.40 19.36 78.93 7.61 20.38 78.08 5.61 21.19 79.15 4.88 2 0 16.44-999 ?-999 ?-999 ? CL CL A 159 mALA~B 10 18.11 78.96 5.75 18.11 78.70 4.79 16.42 78.61 7.50 16.04 79.04 8.59 16.98 79.57 6.44 15.87 79.98 5.45 2 0 18.36-999 ?-999 ?-999 ? O1 UNL B 156 mMETB 11 16.36 77.33 7.18 16.68 77.11 6.26 16.85 76.22 9.32 16.43 76.15 10.50 15.88 76.34 8.14 15.64 75.01 7.44 2 0 15.30-999 ?-999 ?-999 ? O2 UNL B 156 mGLU~B 12 18.14 76.18 9.01 18.35 76.19 8.03 19.03 77.30 11.03 19.07 77.14 12.23 19.14 76.12 10.07 20.57 76.06 9.50 2 0 14.17-999 ?-999 ?-999 ? O2 UNL B 156 mLYS~B 13 18.85 78.49 10.50 18.82 78.49 9.50 17.52 79.61 12.27 17.62 79.98 13.46 18.72 79.68 11.33 18.58 80.92 10.44 2 0 14.59-999 ?-999 ?-999 ? O1 UNL B 156 mVAL~B 14 16.37 79.16 11.77 16.40 78.94 10.80 15.41 78.00 13.74 15.10 78.24 14.91 15.18 79.01 12.62 13.94 78.62 11.81 3 0 12.54-999 ?-999 ?-999 ? O1 UNL B 156 mILE~B 15 16.01 76.86 13.38 16.24 76.81 12.40 17.25 76.28 15.43 17.03 76.05 16.65 16.28 75.80 14.34 16.79 74.54 13.63 3 0 9.61-999 ?-999 ?-999 ? O1 UNL B 156 mARG~B 16 18.35 76.93 15.02 18.42 77.05 14.03 18.78 78.52 16.86 19.09 78.60 18.06 19.34 77.42 15.99 20.68 77.78 15.33 2 0 10.10-999 ?-999 ?-999 ? O1 UNL B 156 mTHR~B 17 17.97 79.39 16.29 17.86 79.27 15.30 16.35 79.81 18.12 16.32 80.23 19.27 17.29 80.42 17.08 16.49 81.35 16.19 2 0 10.69-999 ?-999 ?-999 ? O1 UNL B 156 mTYR~B 18 15.63 78.78 17.72 15.75 78.56 16.75 15.49 77.46 19.82 15.10 77.64 20.97 14.73 78.06 18.63 13.98 76.97 17.83 3 0 7.51-999 ?-999 ?-999 ? O1 UNL B 156 mTYR~B 19 16.58 76.74 19.54 16.82 76.66 18.58 17.98 77.21 21.50 18.02 77.05 22.73 17.33 76.14 20.63 18.38 75.15 20.11 3 0 -5.57-999 ?-999 ?-999 ? O1 UNL B 156s mASP~B 20 18.43 78.32 20.90 18.38 78.34 19.90 17.83 79.92 22.67 18.00 80.15 23.87 18.95 79.41 21.74 19.47 80.57 20.90 2 0 8.78-999 ?-999 ?-999 ? O1 UNL B 156 mGLY~B 21 16.63 80.07 22.10 16.63 79.85 21.13 15.12 79.58 24.04 14.79 80.00 25.15 15.43 80.52 22.88-999.99-999.99-999.99 1 0 8.64-999 ?-999 ?-999 ? O1 UNL B 156 mCYH~B 22 15.24 78.29 23.77 15.44 78.09 22.81 16.09 77.48 25.93 15.73 77.54 27.12 15.10 77.27 24.81 15.30 75.86 24.23 2 0 -5.69-999 ?-999 ?-999 ? O1 UNL B 156s mASN~B 23 17.36 77.59 25.57 17.52 77.59 24.59 18.32 79.00 27.35 18.72 79.05 28.51 18.40 77.71 26.59 19.75 77.53 25.95 2 0 7.85-999 ?-999 ?-999 ? O1 UNL B 156 mGLU~B 24 17.83 80.03 26.70 17.60 79.81 25.75 16.29 81.48 28.05 16.02 82.51 28.66 17.64 81.35 27.31 17.71 82.44 26.20 2 0 10.83-999 ?-999 ?-999 ? O1 UNL B 156 mALA.B 25 15.44 80.46 27.97 15.82 79.68 27.47 13.37 81.75 28.06 12.62 82.44 28.83 14.10 80.49 28.56 14.16 80.44 30.08 2 0 10.24-999 ?-999 ?-999 ? O1 UNL B 156 mASP~B 26 13.57 82.05 26.78 14.12 81.38 26.29 11.82 82.88 25.32 11.92 82.42 24.18 13.03 83.28 26.16 14.11 83.94 25.33 2 0 11.89-999 ?-999 ?-999 ? O1 UNL B 156 mGLU~B 27 10.65 83.04 25.92 10.69 83.49 26.81 9.11 83.29 23.99 8.73 82.63 23.02 9.43 82.59 25.28 8.25 82.66 26.24 2 0 12.04-999 ?-999 ?-999 ? O1 UNL B 156 mALA~B 28 9.24 84.61 23.96 9.52 85.03 24.82 9.89 84.85 21.57 9.47 84.71 20.41 8.99 85.33 22.71 9.14 86.84 22.91 2 0 14.50-999 ?-999 ?-999 ? O1 UNL B 156 mLYS~B 29 11.15 84.59 21.91 11.36 84.74 22.87 11.69 82.75 20.36 11.71 82.54 19.16 12.12 84.12 20.93 13.51 84.08 21.57 2 0 12.59-999 ?-999 ?-999 ? O1 UNL B 156 mMETB 30 11.33 81.84 21.26 11.41 82.13 22.22 9.60 80.61 20.00 9.52 80.00 18.93 10.87 80.51 20.84 10.60 79.62 22.05 2 0 9.57-999 ?-999 ?-999 ? O1 UNL B 156 mILE~B 31 8.63 81.38 20.48 8.86 81.85 21.33 7.46 81.96 18.31 6.76 81.46 17.42 7.33 81.49 19.77 6.37 82.41 20.56 3 0 12.39-999 ?-999 ?-999 ? O1 UNL B 156 mALA~B 32 8.41 82.85 18.05 8.95 83.12 18.86 9.23 82.37 15.77 9.29 82.64 14.57 8.65 83.39 16.74 9.59 84.61 16.82 2 0 14.30-999 ?-999 ?-999 ? O1 UNL B 156 mCYH.B 33 9.64 81.20 16.25 9.53 81.11 17.24 9.12 79.18 14.86 9.44 78.28 14.07 10.19 80.16 15.38 11.25 79.35 16.12 2 0 12.00-999 ?-999 ?-999 ? O1 UNL B 156 mPHE^B 34 7.88 79.37 15.32 7.75 80.18 15.89 5.60 79.14 14.36 5.35 80.32 14.62 6.80 78.46 14.99 6.28 77.80 16.27 3 0 12.87-999 ?-999 ?-999 ? O1 UNL B 156 mVAL^B 35 4.84 78.37 13.59 5.24 77.50 13.31 2.72 78.69 14.53 3.06 77.85 15.40 3.51 78.81 13.20 2.90 78.01 12.04 3 0 16.25-999 ?-999 ?-999 ? O1 UNL B 156 mPRO^B 36 1.72 79.56 14.75 1.47 80.15 13.99 0.49 78.24 16.55 0.47 77.97 17.76 1.07 79.56 16.06 -0.07 80.58 15.87 3 0 16.94-999 ?-999 ?-999 ? O1 UNL B 156 mGLU^B 37 0.02 77.43 15.62 0.16 77.77 14.69 0.31 74.97 15.91 -0.12 73.83 15.89 -0.64 76.17 15.94 -1.80 75.93 14.94 2 0 17.05-999 ?-999 ?-999 ? O3 UNL B 156 mALA^B 38 1.62 75.22 15.96 1.86 76.19 16.03 2.39 73.16 17.02 1.98 73.55 18.11 2.60 74.13 15.89 4.00 74.66 15.96 2 0 13.77-999 ?-999 ?-999 ? O4 UNL B 156 mVAL^B 39 2.66 71.88 16.75 2.98 71.71 15.82 3.82 70.09 17.95 4.55 69.83 17.00 2.49 70.83 17.75 1.40 69.81 17.33 3 0 11.83-999 ?-999 ?-999 ? O4 UNL B 156 mHIS^B 40 4.17 69.81 19.20 3.56 70.19 19.90 4.85 67.68 20.11 4.09 67.66 21.09 5.34 69.01 19.52 6.20 69.72 20.57 3 0 8.20-999 ?-999 ?-999 ? O4 UNL B 156 mTYR^B 41 5.30 66.58 19.50 5.89 66.77 18.71 6.16 64.60 20.61 7.30 64.97 20.30 4.96 65.23 19.94 4.53 64.35 18.76 3 0 8.72-999 ?-999 ?-999 ? O4 UNL B 156 mPHE.B 42 5.88 63.65 21.48 4.90 63.46 21.54 6.45 61.49 22.41 5.35 61.13 22.08 6.85 62.95 22.29 6.86 63.53 23.72 3 0 6.56-999 ?-999 ?-999 ? O7 UNL B 156 mPRO.B 43 7.36 60.63 22.88 8.27 61.00 23.05 5.76 59.13 24.04 5.65 59.91 24.99 6.97 59.24 23.12 8.23 58.66 23.77 3 0 8.39-999 ?-999 ?-999 ? O7 UNL B 156 mALA.B 44 4.84 58.24 23.70 5.06 57.73 22.87 4.06 57.69 25.89 4.96 56.88 26.09 3.63 58.04 24.47 2.78 56.93 23.82 2 0 11.03-999 ?-999 ?-999 ? O7 UNL B 156 mGLY.B 45 3.39 58.30 26.87 2.61 58.84 26.53 4.73 59.32 28.70 5.54 59.17 29.66 3.76 58.19 28.30-999.99-999.99-999.99 1 0 10.92-999 ?-999 ?-999 ? O7 UNL B 156 mMETB 46 4.66 60.46 28.00 3.97 60.45 27.27 4.80 62.94 28.26 4.03 63.21 27.33 5.54 61.61 28.29 6.72 61.69 27.29 2 0 7.45-999 ?-999 ?-999 ? O7 UNL B 156 mTYR.B 47 5.07 63.75 29.28 5.67 63.31 29.95 3.02 65.27 29.49 2.49 66.40 29.54 4.55 65.13 29.43 5.15 66.06 28.35 3 0 -7.61-999 ?-999 ?-999 ? O7 UNL B 156s mGLY.B 48 2.32 64.13 29.50 2.89 63.31 29.52 0.33 64.03 28.08 -0.90 63.84 27.88 0.87 64.07 29.50-999.99-999.99-999.99 1 0 11.16-999 ?-999 ?-999 ? O7 UNL B 156 mGLY.B 49 1.24 64.16 27.10 2.19 64.25 27.41 1.58 65.28 24.97 2.59 65.83 25.43 0.88 64.17 25.71-999.99-999.99-999.99 1 0 10.63-999 ?-999 ?-999 ? O7 UNL B 156 mALA.B 50 1.02 65.63 23.83 0.16 65.16 23.64 1.47 68.01 23.45 0.56 68.31 24.21 1.60 66.61 22.93 0.94 66.51 21.55 2 0 10.35-999 ?-999 ?-999 ? O7 UNL B 156 mPHE^B 51 2.42 68.86 23.07 3.19 68.44 22.59 1.64 70.90 22.14 2.13 70.82 21.01 2.33 70.29 23.35 3.69 70.99 23.55 3 0 10.53-999 ?-999 ?-999 ? O7 UNL B 156 mARG^B 52 0.50 71.54 22.38 0.24 71.60 23.35 -0.25 73.61 21.31 -0.80 74.27 22.21 -0.28 72.11 21.30 -1.71 71.56 21.34 2 0 13.90-999 ?-999 ?-999 ? O4 UNL B 156 mGLY~B 53 0.46 74.15 20.32 0.89 73.49 19.71 1.98 76.05 20.51 2.58 75.58 21.49 0.59 75.57 20.14-999.99-999.99-999.99 1 0 14.30-999 ?-999 ?-999 ? O3 UNL B 156 mALA~B 54 2.45 77.03 19.77 1.82 77.32 19.05 3.89 78.15 21.42 4.93 77.95 22.07 3.76 77.63 19.99 3.94 78.80 19.00 2 0 12.54-999 ?-999 ?-999 ? O1 UNL B 156 mALA~B 55 2.86 78.83 21.93 2.08 78.92 21.32 3.09 78.27 24.34 3.82 78.44 25.33 2.92 79.39 23.28 1.67 80.24 23.56 2 0 13.80-999 ?-999 ?-999 ? O1 UNL B 156 mGLN~B 56 2.40 77.16 24.15 1.83 77.16 23.33 3.92 75.44 25.06 4.50 75.14 26.10 2.52 76.04 25.10 1.48 74.97 24.85 2 0 12.43-999 ?-999 ?-999 ? O3 UNL B 156 mILE~B 57 4.44 75.25 23.87 3.84 75.49 23.11 6.78 75.60 24.47 7.57 75.13 25.28 5.79 74.72 23.71 6.19 74.64 22.22 3 0 8.84-999 ?-999 ?-999 ? O3 UNL B 156 mALA~B 58 6.70 76.90 24.25 5.95 77.18 23.64 7.50 77.86 26.38 8.49 77.91 27.11 7.63 77.82 24.86 7.45 79.21 24.25 2 0 9.27-999 ?-999 ?-999 ? O1 UNL B 156 mHIS~B 59 6.27 77.84 26.87 5.53 77.85 26.20 6.65 76.55 28.96 7.25 76.64 30.05 6.07 77.81 28.30 4.59 77.93 28.61 3 0 11.54-999 ?-999 ?-999 ? O3 UNL B 156 mARG~B 60 6.47 75.40 28.31 5.96 75.48 27.45 8.49 74.22 28.94 9.05 73.80 29.95 6.98 74.15 28.83 6.54 73.00 27.91 2 0 9.17-999 ?-999 ?-999 ? O3 UNL B 156 mTRP~B 61 9.17 74.72 27.92 8.62 75.03 27.15 11.12 75.82 29.00 12.13 75.59 29.66 10.62 74.80 27.98 11.24 75.01 26.60 3 0 -6.92-999 ?-999 ?-999 ? O3 UNL B 156s mARG~B 62 10.43 76.94 29.12 9.69 77.06 28.47 10.70 77.22 31.54 11.60 77.32 32.38 10.81 77.90 30.17 9.97 79.16 30.08 2 0 10.08-999 ?-999 ?-999 ? O1 UNL B 156 mTHR~B 63 9.62 76.51 31.78 8.96 76.51 31.03 10.57 74.77 33.28 11.05 74.62 34.39 9.45 75.80 33.04 8.07 75.13 33.05 2 0 11.67-999 ?-999 ?-999 ? O3 UNL B 156 mALA~B 64 10.98 74.07 32.22 10.49 74.28 31.37 13.35 73.74 32.74 14.06 73.25 33.64 12.05 73.08 32.33 12.25 72.36 30.96 2 0 8.78-999 ?-999 ?-999 ? O6 UNL B 156 mVAL~B 65 13.67 74.86 32.14 13.04 75.17 31.43 14.81 75.94 34.02 15.74 75.75 34.79 14.90 75.55 32.55 15.17 76.79 31.66 3 0 10.26-999 ?-999 ?-999 ? O1 UNL B 156 mGLU~B 66 13.68 76.50 34.42 12.98 76.58 33.72 13.52 75.84 36.84 14.04 76.00 37.96 13.54 76.95 35.81 12.27 77.81 35.92 2 0 13.83-999 ?-999 ?-999 ? O1 UNL B 156 mTHR~B 67 12.95 74.72 36.49 12.63 74.71 35.55 13.94 72.61 37.37 14.44 72.17 38.40 12.81 73.62 37.44 11.41 72.89 37.27 2 0 12.84-999 ?-999 ?-999 ? O6 UNL B 156 mLEU~B 68 14.37 72.26 36.16 13.92 72.75 35.42 16.78 71.81 35.62 17.76 71.07 35.66 15.39 71.23 35.95 14.95 70.35 34.78 3 0 10.63-999 ?-999 ?-999 ? O6 UNL B 156 mGLY~B 69 16.89 73.10 35.28 16.06 73.64 35.39 18.48 73.12 33.40 19.63 73.08 32.99 18.14 73.64 34.79-999.99-999.99-999.99 1 0 10.18-999 ?-999 ?-999 ? CL CL A 158 mSER^B 70 17.46 72.74 32.65 16.58 72.84 33.10 18.51 73.06 30.43 18.40 74.27 30.41 17.60 72.22 31.32 16.23 72.13 30.63 2 0 8.63-999 ?-999 ?-999 ? O5 UNL B 156 mTYR^B 71 19.35 72.37 29.68 19.39 71.40 29.92 20.16 72.00 27.49 20.43 70.82 27.70 20.14 72.99 28.62 21.57 73.27 29.07 3 0 8.05-999 ?-999 ?-999 ? O1 UNL B 156 mTRP^B 72 19.93 72.47 26.27 19.81 73.46 26.22 20.98 71.91 24.12 21.22 73.08 23.75 19.88 71.61 25.10 18.55 71.78 24.40 3 0 -5.77-999 ?-999 ?-999 ? O1 UNL B 156s mTHR^B 73 21.65 70.87 23.66 21.41 70.00 24.09 22.13 70.40 21.33 21.34 69.43 21.34 22.65 70.99 22.63 23.96 70.28 22.97 2 0 8.14-999 ?-999 ?-999 ? O2 UNL B 156 mILE^B 74 22.52 71.01 20.22 22.97 71.89 20.39 23.60 69.67 18.55 24.68 70.24 18.37 22.32 70.46 18.86 22.11 71.52 17.78 3 0 8.43-999 ?-999 ?-999 ? O2 UNL B 156 mASP^B 75 23.49 68.34 18.51 22.56 68.00 18.63 24.83 67.08 16.83 25.94 66.84 16.37 24.65 67.48 18.30 24.47 66.22 19.16 2 0 10.95-999 ?-999 ?-999 ? O8 UNL B 156 mALA^B 76 23.72 67.03 16.11 22.88 67.16 16.63 22.54 67.46 14.07 21.50 67.52 14.70 23.78 66.81 14.66 23.80 65.31 14.32 2 0 12.26-999 ?-999 ?-999 ? O8 UNL B 156 mLEU^B 77 22.65 67.92 12.84 23.52 67.72 12.40 21.51 68.25 10.73 22.48 68.47 10.00 21.57 68.65 12.20 21.85 70.14 12.40 3 0 12.26-999 ?-999 ?-999 ? O2 UNL B 156 mVAL^B 78 20.41 67.62 10.34 19.74 67.55 11.08 19.04 67.88 8.39 17.93 67.86 8.95 20.19 67.07 8.99 19.78 65.59 9.08 3 0 14.55-999 ?-999 ?-999 ? CL CL A 159 mILE^B 79 19.31 68.61 7.32 20.22 68.48 6.93 18.07 69.19 5.30 19.02 69.16 4.51 18.30 69.51 6.78 18.73 70.99 6.94 3 0 13.07-999 ?-999 ?-999 ? CL CL A 159 mASP^B 80 16.81 68.97 4.95 16.16 69.06 5.70 15.65 69.78 2.95 14.45 69.96 3.18 16.41 68.62 3.59 15.55 67.37 3.62 2 0 10.56-999 ?-999 ?-999 ? CL CL A 159 mALA.B 81 16.35 70.53 2.10 17.29 70.23 1.96 14.77 71.30 0.38 13.95 72.15 0.00 15.77 71.69 1.45 16.86 72.62 0.88 2 0 10.46-999 ?-999 ?-999 ? CL CL A 159 mGLU.B 82 14.81 70.07 -0.12 15.54 69.49 0.23 12.47 69.36 -0.46 11.44 69.65 -1.03 13.84 69.67 -1.11 14.36 68.52 -1.97 2 0 9.27-999 ?-999 ?-999 ? CL CL A 159 mTHR.B 83 12.45 68.84 0.75 13.35 68.70 1.16 10.78 69.48 2.52 9.74 69.31 3.15 11.18 68.52 1.40 11.28 67.10 2.01 2 0 11.55-999 ?-999 ?-999 ? O2 GOL A 160 mALA.B 84 11.62 70.45 2.82 12.44 70.48 2.25 11.16 70.64 5.24 10.25 70.92 6.03 11.34 71.37 3.91 10.10 72.26 3.61 2 0 13.38-999 ?-999 ?-999 ? O2 GOL A 160 mGLU^B 85 12.06 69.68 5.47 12.73 69.53 4.74 13.50 68.86 7.22 14.47 69.02 6.47 12.07 68.91 6.70 11.54 67.48 6.50 2 0 11.88-999 ?-999 ?-999 ? O2 GOL A 160 mALA^B 86 13.60 68.62 8.51 12.72 68.54 8.98 14.84 67.45 10.26 13.75 67.03 10.70 14.90 68.49 9.16 15.39 69.84 9.75 2 0 13.08-999 ?-999 ?-999 ? O2 UNL B 156 mALA^B 87 16.01 67.01 10.71 16.79 67.30 10.17 17.27 66.71 12.73 18.28 67.17 12.23 16.13 66.18 11.89 16.37 64.75 11.51 2 0 11.13-999 ?-999 ?-999 ? O2 UNL B 156 mILE^B 88 17.08 66.63 14.05 16.23 66.19 14.33 18.38 66.07 16.00 17.47 65.50 16.60 18.06 67.14 14.99 17.51 68.34 15.78 3 0 8.53-999 ?-999 ?-999 ? O8 UNL B 156 mGLU^B 89 19.67 65.76 16.19 20.27 66.19 15.52 20.51 65.87 18.39 21.23 66.84 18.13 20.15 64.88 17.28 21.36 64.07 16.88 2 0 8.53-999 ?-999 ?-999 ? O8 UNL B 156 mTRP^B 90 19.94 65.66 19.58 19.45 64.80 19.66 20.38 65.96 21.99 20.21 64.74 22.21 20.06 66.64 20.66 18.74 67.45 20.82 3 0 -6.06-999 ?-999 ?-999 ? O8 UNL B 156s mTHR^B 91 20.82 66.77 22.94 21.04 67.69 22.61 20.26 67.33 25.23 20.42 68.54 25.05 20.97 66.36 24.33 22.46 66.26 24.75 2 0 6.86-999 ?-999 ?-999 ? O8 UNL B 156 mHIS^B 92 19.49 66.79 26.17 19.40 65.80 26.10 19.56 67.26 28.49 19.50 66.15 29.05 18.82 67.54 27.20 17.36 67.07 27.31 3 0 -5.49-999 ?-999 ?-999 ? O5 UNL B 156s mPHE^B 93 20.33 68.26 28.96 20.37 69.05 28.35 20.10 68.71 31.30 19.81 69.91 31.33 21.05 68.20 30.22 22.27 69.09 30.10 3 0 6.04-999 ?-999 ?-999 ? CL CL A 158 mLYS^B 94 19.62 67.82 32.16 19.91 66.88 31.97 19.71 68.49 34.43 19.91 67.71 35.35 18.76 68.18 33.29 17.76 67.07 33.64 2 0 7.09-999 ?-999 ?-999 ? CL CL A 158 mTHR.B 95 20.31 69.66 34.32 19.90 70.26 33.63 21.19 69.83 36.62 22.01 69.31 37.35 21.45 70.03 35.15 21.83 71.52 34.89 2 0 5.45-999 ?-999 ?-999 ? CL CL A 158 mASN~B 96 20.04 70.31 37.07 19.42 70.62 36.35 19.58 68.94 39.09 19.66 68.78 40.33 19.74 70.34 38.51 18.48 71.18 38.82 2 0 8.33-999 ?-999 ?-999 ? CL CL A 158 mGLN~B 97 19.30 67.97 38.23 19.22 68.30 37.29 20.37 65.74 38.34 20.36 64.54 38.66 19.13 66.58 38.64 17.94 65.97 37.88 2 0 8.06-999 ?-999 ?-999 ? C2 GOL A 161 mASP~B 98 21.41 66.32 37.74 21.31 67.31 37.64 22.15 64.41 36.39 22.65 63.29 36.52 22.57 65.57 37.29 23.37 65.07 38.50 2 0 -4.31-999 ?-999 ?-999 ? C2 GOL A 161s mLYS^B 99 21.21 64.68 35.49 20.87 65.62 35.52 20.91 64.17 33.11 20.87 65.39 32.87 20.74 63.67 34.53 19.27 63.31 34.78 2 0 4.76-999 ?-999 ?-999 ? C1 GOL A 161 mVAL^B 100 21.08 63.23 32.19 21.10 62.30 32.56 20.27 62.62 29.97 20.17 61.41 30.22 21.24 63.50 30.78 22.69 63.19 30.34 3 0 5.81-999 ?-999 ?-999 ? C1 GOL A 161 mLEU^B 101 19.57 63.23 29.04 19.69 64.23 29.05 19.06 62.95 26.73 19.02 64.14 26.44 18.70 62.53 28.11 17.24 62.89 28.36 3 0 7.04-999 ?-999 ?-999 ? O6 UNL B 156 mARG^B 102 19.42 61.99 25.86 19.45 61.07 26.24 18.62 61.75 23.62 17.90 60.86 24.00 19.74 62.29 24.48 21.07 61.71 24.08 2 0 8.04-999 ?-999 ?-999 ? O5 UNL B 156 mGLY^B 103 18.50 62.29 22.42 19.17 63.00 22.20 17.56 62.52 20.17 18.58 63.12 19.82 17.45 61.85 21.51-999.99-999.99-999.99 1 0 7.35-999 ?-999 ?-999 ? O8 UNL B 156 mALA^B 104 16.55 62.35 19.36 15.82 61.77 19.72 15.09 63.38 17.76 14.13 62.81 18.33 16.52 62.98 18.05 17.06 62.02 16.97 2 0 7.49-999 ?-999 ?-999 ? O8 UNL B 156 mGLU^B 105 14.91 64.37 16.90 15.75 64.80 16.55 13.46 65.14 15.08 14.42 65.67 14.50 13.56 64.76 16.53 13.03 65.89 17.40 2 0 -6.75-999 ?-999 ?-999 ? O4 UNL B 156s mCYH^B 106 12.30 64.83 14.49 11.67 64.28 15.05 11.23 66.57 13.22 10.37 66.76 14.07 11.98 65.24 13.15 11.13 64.20 12.47 2 0 9.75-999 ?-999 ?-999 ? O4 UNL B 156 mVAL^B 107 11.51 67.45 12.26 12.13 67.12 11.56 10.36 69.06 10.88 11.02 68.84 9.86 10.96 68.79 12.26 12.08 69.83 12.53 3 0 10.49-999 ?-999 ?-999 ? O4 UNL B 156 mGLU^B 108 9.12 69.51 10.84 8.66 69.53 11.73 8.36 71.42 9.57 7.94 72.02 10.57 8.51 69.93 9.59 7.12 69.33 9.40 2 0 11.56-999 ?-999 ?-999 ? O2 GOL A 160 mPHE^B 109 8.70 72.05 8.45 9.13 71.46 7.77 7.23 73.75 7.42 6.80 72.93 6.61 8.48 73.47 8.25 9.66 74.08 7.53 3 0 14.34-999 ?-999 ?-999 ? O2 GOL A 160 mASP^B 110 6.66 74.92 7.67 7.04 75.38 8.47 6.31 76.31 5.83 6.99 77.26 6.19 5.58 75.47 6.87 4.70 76.38 7.73 2 0 15.50-999 ?-999 ?-999 ? O2 GOL A 160 mARG.B 111 6.18 75.97 4.55 5.56 75.20 4.39 6.57 78.16 3.34 7.44 78.99 3.11 6.92 76.69 3.51 6.74 76.01 2.15 2 0 16.88-999 ?-999 ?-999 ? O2 GOL A 160 mALA.B 112 5.30 78.49 3.49 4.70 77.72 3.73 5.50 80.83 4.30 5.90 81.93 3.91 4.86 79.87 3.31 3.33 79.97 3.40 2 0 19.86-999 ?-999 ?-999 ? O2 GOL A 160 mSER.B 113 5.63 80.42 5.56 5.34 79.48 5.72 7.61 81.06 6.87 8.28 81.92 7.45 6.14 81.28 6.62 5.40 80.99 7.93 2 0 20.61-999 ?-999 ?-999 ? O1 UNL B 156 mGLY.B 114 8.08 79.87 6.52 7.41 79.27 6.08 9.67 79.10 8.21 10.80 79.03 8.67 9.45 79.47 6.75-999.99-999.99-999.99 1 0 18.58-999 ?-999 ?-999 ? O1 UNL B 156 mLEU^B 115 8.58 78.85 8.95 7.73 78.90 8.43 8.30 77.06 10.66 7.77 76.34 9.81 8.62 78.52 10.38 7.67 79.44 11.15 3 0 15.38-999 ?-999 ?-999 ? O1 UNL B 156 mILE^B 116 8.61 76.60 11.87 9.03 77.29 12.47 6.86 74.99 12.50 6.23 75.77 13.18 8.36 75.22 12.26 9.15 74.83 13.53 3 0 12.66-999 ?-999 ?-999 ? O2 UNL B 156 mARG^B 117 6.33 73.90 11.95 6.97 73.37 11.40 4.74 72.29 13.01 3.66 72.10 13.61 4.93 73.54 12.16 4.20 73.36 10.84 2 0 14.23-999 ?-999 ?-999 ? O2 UNL B 156 mGLU^B 118 5.78 71.44 13.13 6.62 71.71 12.66 7.01 69.68 14.28 7.93 69.79 13.51 5.64 70.22 13.90 4.93 69.16 13.07 2 0 11.51-999 ?-999 ?-999 ? O4 UNL B 156 mILE^B 119 7.11 69.11 15.48 6.28 69.20 16.03 7.86 67.10 16.53 6.83 67.04 17.22 8.31 68.43 15.95 9.13 69.23 16.99 3 0 8.03-999 ?-999 ?-999 ? O4 UNL B 156 mARG^B 120 8.55 66.02 16.15 9.27 66.23 15.50 9.58 64.17 17.28 10.58 63.98 16.57 8.27 64.67 16.65 7.82 63.72 15.53 2 0 8.09-999 ?-999 ?-999 ? O4 UNL B 156 mALA^B 121 9.60 64.00 18.61 8.71 64.14 19.04 10.81 62.15 19.78 9.78 61.55 20.16 10.80 63.63 19.35 10.97 64.54 20.60 2 0 5.64-999 ?-999 ?-999 ? O4 UNL B 156 mPHE^B 122 12.06 61.64 19.78 12.75 62.31 19.52 13.59 60.26 21.06 14.38 61.22 21.05 12.41 60.25 20.09 12.76 59.48 18.81 3 0 7.79-999 ?-999 ?-999 ? O9 UNL B 156 mTYR^B 123 13.72 59.24 21.89 13.08 58.49 21.70 15.69 58.08 22.86 15.38 56.99 22.38 14.72 59.23 22.96 14.02 59.06 24.30 3 0 -7.85-999 ?-999 ?-999 ? O9 UNL B 156s mALA.B 124 16.88 58.32 23.38 17.03 59.28 23.62 17.52 56.51 24.87 18.29 56.48 25.82 17.86 57.24 23.58 19.33 57.80 23.63 2 0 10.74-999 ?-999 ?-999 ? O1 UNL A 156 mSER.B 125 16.32 55.94 24.90 15.78 56.06 24.06 15.39 53.82 25.52 14.78 53.73 24.46 15.81 55.20 26.02 14.61 55.94 26.61 2 0 10.92-999 ?-999 ?-999 ? O1 UNL A 156 mPRO.B 126 15.68 52.78 26.29 16.14 52.99 27.15 13.82 51.20 25.76 13.04 51.91 26.37 15.34 51.42 25.85 16.02 50.54 26.88 3 0 9.10-999 ?-999 ?-999 ? O1 UNL A 156 mGLN.B 127 13.42 50.25 24.93 14.16 49.83 24.42 11.48 49.52 26.14 12.05 48.71 26.85 12.03 49.86 24.79 11.97 48.60 23.94 2 0 8.58-999 ?-999 ?-999 ? O7 UNL A 156 mALA.B 128 10.35 50.12 26.50 9.99 50.75 25.81 9.12 48.46 27.77 8.45 48.09 26.82 9.70 49.85 27.80 8.61 50.87 28.07 2 0 12.22-999 ?-999 ?-999 ? O7 UNL A 156 mGLU.B 129 9.34 47.70 28.83 9.86 48.13 29.56 7.31 46.33 29.04 6.73 47.21 29.69 8.82 46.34 28.87 9.52 45.53 29.98 2 0 13.60-999 ?-999 ?-999 ? O7 UNL A 156 mGLY.B 130 6.69 45.36 28.39 7.30 44.81 27.81 4.31 46.12 27.83 3.11 46.16 28.15 5.25 45.13 28.51-999.99-999.99-999.99 1 0 15.46-999 ?-999 ?-999 ? O7 UNL A 156 mILE.B 131 4.85 46.93 26.93 5.83 46.81 26.78 3.96 47.46 24.77 4.96 47.30 24.08 4.07 47.92 26.22 4.72 49.30 26.27 3 0 14.34-999 ?-999 ?-999 ? O7 UNL A 156 mALA.B 132 2.74 47.25 24.29 2.01 47.50 24.92 2.89 47.65 21.84 3.36 47.22 20.78 2.55 46.69 22.96 1.09 46.21 22.80 2 0 13.89-999 ?-999 ?-999 ? O7 UNL A 156 mARG^B 133 2.60 48.94 22.03 2.21 49.13 22.94 3.66 51.08 21.57 3.21 51.83 22.43 2.83 49.95 21.02 1.53 50.53 20.48 2 0 12.91-999 ?-999 ?-999 ? O7 UNL A 156 mLEU^B 134 4.88 51.18 21.10 5.13 50.48 20.43 5.84 53.22 20.40 6.52 52.99 19.41 5.78 52.23 21.54 7.14 51.63 21.88 3 0 11.03-999 ?-999 ?-999 ? O7 UNL A 156 mGLU.B 135 5.10 54.32 20.49 4.64 54.43 21.38 4.68 56.62 20.03 4.57 56.75 21.26 4.96 55.26 19.42 3.85 54.81 18.44 2 0 12.47-999 ?-999 ?-999 ? O7 UNL A 156 mLEU.B 136 4.58 57.65 19.21 4.68 57.42 18.24 2.93 59.13 20.34 1.96 58.64 19.79 4.34 58.99 19.74 4.50 60.02 18.63 3 0 11.65-999 ?-999 ?-999 ? O7 UNL B 156 mGLY.B 137 2.85 59.82 21.47 3.73 60.13 21.84 0.76 61.11 21.34 1.29 62.11 20.84 1.58 60.08 22.10-999.99-999.99-999.99 1 0 12.01-999 ?-999 ?-999 ? O7 UNL B 156 mASP.B 138 -0.54 60.85 21.25 -0.78 59.96 21.64 -1.32 62.03 19.15 -1.88 62.96 18.58 -1.52 61.78 20.64 -1.50 63.15 21.35 2 0 14.57-999 ?-999 ?-999 ? O7 UNL B 156 mPHE.B 139 -0.52 61.20 18.50 -0.17 60.45 19.06 -1.16 60.52 16.30 -1.31 59.33 16.57 -0.20 61.37 17.10 1.25 60.96 16.82 3 0 11.78-999 ?-999 ?-999 ? C3 GOL A 160 mASP.B 140 -1.76 61.13 15.28 -1.47 62.07 15.14 -2.10 59.62 13.36 -2.11 59.98 12.18 -2.76 60.45 14.45 -3.69 61.47 13.81 2 0 10.62-999 ?-999 ?-999 ? C3 GOL A 160 mTYR.B 141 -1.51 58.49 13.73 -1.61 58.27 14.70 -1.69 57.25 11.58 -1.28 57.37 10.42 -0.81 57.67 12.76 -0.23 56.43 13.44 3 0 7.84-999 ?-999 ?-999 ? C3 GOL A 160 mALA.B 142 -2.89 56.76 11.88 -3.12 56.74 12.85 -4.13 57.45 9.83 -4.00 57.31 8.61 -3.75 56.30 10.80 -5.00 55.66 11.38 2 0 7.30-999 ?-999 ?-999 ? CL CL B 157 mGLY.B 143 -4.48 58.60 10.38 -4.45 58.60 11.38 -3.73 60.35 8.74 -3.92 60.93 7.67 -4.88 59.76 9.55-999.99-999.99-999.99 1 0 9.04-999 ?-999 ?-999 ? C2 GOL A 160 mARG.B 144 -2.52 60.23 9.28 -2.52 59.78 10.17 -0.68 59.73 7.63 0.39 59.99 7.04 -1.31 60.71 8.63 -0.33 61.14 9.72 2 0 -5.66-999 ?-999 ?-999 ? C2 GOL A 160s mGLY.B 145 -1.33 58.58 7.44 -2.12 58.43 8.04 0.17 56.66 6.82 0.78 56.03 5.99 -0.91 57.63 6.43-999.99-999.99-999.99 1 0 -4.06-999 ?-999 ?-999 ? C1 GOL A 160s mTYR.B 146 0.46 56.57 8.11 -0.02 57.22 8.70 0.76 54.23 8.72 -0.41 54.16 9.07 1.43 55.58 8.58 1.94 55.97 9.98 3 0 -4.14-999 ?-999 ?-999 ? C3 GOL A 160s mARG.B 147 1.51 53.14 8.49 2.44 53.31 8.16 0.76 51.68 10.20 1.62 52.15 10.99 0.91 51.82 8.72 1.79 50.60 8.40 2 0 3.71-999 ?-999 ?-999 ? CL CL B 157 mVAL.B 148 -0.31 51.03 10.59 -0.91 50.75 9.84 -0.51 49.27 12.30 -0.38 48.92 13.44 -0.57 50.75 11.98 -1.89 51.36 12.50 3 0 -4.06-999 ?-999 ?-999 ? CL CL B 157s mTHR.B 149 -0.58 48.41 11.30 -0.69 48.85 10.41 0.61 46.46 10.58 0.82 46.96 9.44 -0.52 46.97 11.46 -1.83 46.32 11.05 2 0 -4.34-999 ?-999 ?-999 ? CL CL B 157s mSER.B 150 1.36 45.45 11.05 1.11 45.10 11.95 1.97 44.45 8.88 0.98 43.74 8.76 2.46 44.95 10.26 3.09 43.72 10.92 2 0 6.77-999 ?-999 ?-999 ? CL CL B 157 mPRO.B 151 2.72 44.83 7.81 3.44 45.50 7.99 2.71 42.75 6.40 2.13 42.12 5.54 2.45 44.25 6.49 3.41 45.02 5.57 3 0 7.26-999 ?-999 ?-999 ? CL CL B 157 mARG.B 152 3.54 42.22 7.30 3.87 42.84 8.02 2.85 39.89 7.79 2.36 40.14 8.89 3.90 40.83 7.21 5.25 40.60 7.92 2 0 10.69-999 ?-999 ?-999 ? CL CL B 157 mLYS.B 153 2.57 38.81 7.11 3.04 38.75 6.22 2.25 37.21 8.94 3.43 36.84 8.95 1.64 37.81 7.66 1.39 36.71 6.65 2 0 12.40-999 ?-999 ?-999 ? CL CL B 157 mPRO.B 154 1.48 37.21 10.05 0.56 37.60 9.99 2.31 35.12 11.10 1.62 34.44 10.37 2.04 36.63 11.26 0.96 36.90 12.34 3 0 13.92-999 ?-999 ?-999 ? CL CL B 157 mALA.B 155 3.34 34.65 11.80 3.82 35.34 12.35 2.66 32.40 12.44 2.34 31.29 11.97 3.73 33.24 11.74 5.08 33.04 12.41 2 0 17.69-999 ?-999 ?-999 ? CL CL B 157