HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 01-NOV-05 2EVV COMPND HYPOTHETICAL PROTEIN HP0218; COMPND 3 CHAIN: A, B, C, D; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: HELICOBACTER PYLORI; SOURCE 3 ORGANISM_TAXID: 85962; SOURCE 4 STRAIN: 26695; SOURCE 5 GENE: HP0218; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3); SOURCE 7 EXPRESSION_SYSTEM_TAXID: 469008; SOURCE 8 EXPRESSION_SYSTEM_STRAIN: BL21DE3; SOURCE 9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID AUTHOR Y.KIM,X.XU,H.HONG,A.SAVCHENKO,A.EDWARDS,A.JOACHIMIAK,MIDWEST CENTER AUTHOR 2 FOR STRUCTURAL GENOMICS (MCSG) HET MSE A 1 8 HET MSE A 7 8 HET MSE A 67 8 HET MSE A 88 16 HET MSE A 89 8 HET MSE A 128 8 HET MSE A 163 8 HET MSE B 1 8 HET MSE B 7 8 HET MSE B 67 8 HET MSE B 88 8 HET MSE B 89 8 HET MSE B 128 8 HET MSE B 163 8 HET MSE C 1 8 HET MSE C 7 8 HET MSE C 67 8 HET MSE C 88 16 HET MSE C 89 8 HET MSE C 128 8 HET MSE C 163 8 HET MSE D 1 8 HET MSE D 7 8 HET MSE D 67 8 HET MSE D 88 8 HET MSE D 89 8 HET MSE D 128 8 HET MSE D 163 8 HET SO4 B 305 5 HET GOL A 301 6 HET GOL B 302 6 HET GOL C 303 6 HET GOL D 304 6 SITE 1 AC1 5 ARG A 164 HIS B 135 LEU B 176 HOH B 340 SITE 1 AC2 8 ASP A 58 ALA A 61 PHE A 69 MSE A 128 SITE 1 AC3 10 ASP B 58 VAL B 64 HIS B 71 MSE B 128 SITE 1 AC4 6 PHE C 69 PRO C 130 HIS C 134 HOH C 337 SITE 1 AC5 8 ARG C 106 ASP D 58 ALA D 61 HIS D 71 mMETA 1 89.34 57.30 -15.06 89.82 56.59 -15.56 88.06 59.45 -15.24 88.79 59.99 -16.08 88.61 58.36 -14.30 89.51 58.97 -13.22 2 0 16.62-999 ?-999 ?-999 ? O2 SO4 B 305 mLYS^A 2 86.77 59.75 -15.10 86.32 59.24 -14.37 85.97 62.11 -15.23 86.18 62.21 -14.01 86.09 60.75 -15.93 84.70 60.24 -16.37 2 0 19.64-999 ?-999 ?-999 ? O2 SO4 B 305 mTHR^A 3 85.66 63.13 -16.02 85.64 62.91 -16.99 83.97 64.95 -15.95 83.38 64.39 -16.88 85.36 64.47 -15.49 86.46 65.50 -15.87 2 0 21.18-999 ?-999 ?-999 ? O2 SO4 B 305 mPHE.A 4 83.43 65.98 -15.30 83.98 66.31 -14.53 82.09 68.05 -15.45 82.84 68.57 -14.63 82.15 66.55 -15.71 80.98 65.83 -15.03 3 0 23.76-999 ?-999 ?-999 ? O2 SO4 B 305 mGLU.A 5 81.21 68.74 -16.17 80.65 68.17 -16.78 80.33 70.58 -14.82 79.35 69.93 -14.44 81.08 70.19 -16.08 80.38 70.75 -17.32 2 0 24.24-999 ?-999 ?-999 ? O3 GOL A 301 mVAL^A 6 80.81 71.63 -14.16 81.63 72.02 -14.57 79.79 73.62 -13.21 80.56 74.38 -13.82 80.18 72.16 -12.95 81.14 72.03 -11.73 3 0 21.10-999 ?-999 ?-999 ? O3 GOL A 301 mMETA 7 78.58 74.01 -12.79 78.05 73.31 -12.31 77.62 76.15 -11.81 77.21 75.58 -10.80 78.12 75.37 -13.03 77.15 75.48 -14.22 2 0 20.38-999 ?-999 ?-999 ? O3 GOL A 301 mILE^A 8 77.74 77.47 -11.93 78.10 77.74 -12.82 77.20 79.75 -11.68 78.03 80.12 -12.49 77.38 78.44 -10.93 78.48 78.59 -9.82 3 0 18.02-999 ?-999 ?-999 ? O3 GOL A 301 mGLN^A 9 76.11 80.43 -11.42 75.53 80.03 -10.71 76.65 82.81 -11.60 76.59 83.17 -10.43 75.79 81.66 -12.12 74.30 81.98 -12.02 2 0 19.10-999 ?-999 ?-999 ? O3 GOL A 301 mTHR^A 10 77.46 83.37 -12.50 77.50 82.89 -13.38 77.85 85.62 -13.25 77.12 85.34 -14.20 78.21 84.56 -12.23 79.71 84.28 -12.30 2 0 17.46-999 ?-999 ?-999 ? O3 GOL A 301 mASP^A 11 78.35 86.84 -13.07 78.88 86.95 -12.23 78.97 87.67 -15.30 79.67 86.66 -15.39 78.11 87.91 -14.05 78.40 89.29 -13.43 2 0 19.32-999 ?-999 ?-999 ? O3 GOL A 301 mSER^A 12 78.93 88.61 -16.24 78.29 89.35 -16.04 81.26 88.39 -17.17 81.97 87.66 -17.88 79.75 88.55 -17.46 79.50 89.81 -18.31 2 0 21.65-999 ?-999 ?-999 ? O3 GOL A 301 mLYS^A 13 81.74 89.08 -16.15 81.06 89.61 -15.65 83.55 87.81 -14.93 84.68 87.71 -14.47 83.18 89.03 -15.80 83.61 90.33 -15.09 2 0 19.09-999 ?-999 ?-999 ? O3 GOL A 301 mGLY^A 14 82.61 86.90 -14.70 81.73 87.10 -15.12 82.78 85.85 -12.37 83.17 84.93 -11.64 82.88 85.71 -13.89-999.99-999.99-999.99 1 0 16.86-999 ?-999 ?-999 ? O3 GOL A 301 mTYR^A 15 82.25 86.99 -11.90 81.98 87.62 -12.63 80.74 86.76 -9.92 79.69 86.94 -10.54 82.06 87.29 -10.46 82.12 88.82 -10.21 3 0 14.23-999 ?-999 ?-999 ? O3 GOL A 301 mLEU^A 16 80.79 86.11 -8.77 81.72 85.96 -8.43 78.97 86.89 -7.36 79.70 87.79 -6.98 79.59 85.67 -8.06 79.97 84.60 -7.05 3 0 13.36-999 ?-999 ?-999 ? O3 GOL A 301 mASP^A 17 77.65 86.92 -7.19 77.18 86.07 -7.43 77.44 88.45 -5.29 77.74 87.56 -4.52 76.98 88.12 -6.68 75.46 87.96 -6.65 2 0 14.68-999 ?-999 ?-999 ? O3 GOL A 301 mALA^A 18 77.46 89.74 -4.99 77.21 90.34 -5.75 77.10 89.47 -2.54 77.72 89.19 -1.52 77.79 90.24 -3.67 77.49 91.76 -3.57 2 0 13.19-999 ?-999 ?-999 ? O3 GOL A 301 mLYS^A 19 75.83 89.10 -2.73 75.49 89.28 -3.65 75.63 87.15 -1.12 75.31 86.72 -0.01 75.05 88.47 -1.64 73.57 88.32 -2.02 2 0 14.24-999 ?-999 ?-999 ? O3 GOL A 301 mPHE^A 20 76.49 86.51 -1.91 76.69 86.97 -2.78 78.34 85.34 -0.68 78.92 84.31 -0.33 77.06 85.25 -1.51 77.25 84.36 -2.73 3 0 11.75-999 ?-999 ?-999 ? O3 GOL A 301 mGLY^A 21 78.77 86.55 -0.36 78.19 87.30 -0.68 80.02 88.03 1.22 79.00 88.68 1.36 80.01 86.75 0.40-999.99-999.99-999.99 1 0 8.67-999 ?-999 ?-999 ? O3 GOL A 301 mGLY^A 22 81.18 88.39 1.75 81.94 87.79 1.48 80.71 90.88 2.22 80.24 91.63 3.08 81.34 89.55 2.64-999.99-999.99-999.99 1 0 8.51-999 ?-999 ?-999 ? O3 GOL A 301 mASN^A 23 80.70 91.18 0.93 81.12 90.50 0.34 78.56 92.43 0.41 77.96 93.39 -0.05 80.10 92.44 0.45 80.64 92.83 -0.93 2 0 11.42-999 ?-999 ?-999 ? O3 GOL A 301 mALA^A 24 77.95 91.34 0.89 78.58 90.65 1.26 75.78 92.32 1.53 76.30 92.87 2.50 76.49 91.16 0.87 76.09 89.86 1.57 2 0 13.51-999 ?-999 ?-999 ? O3 GOL A 301 mPRO^A 25 74.60 92.69 1.02 74.36 92.35 0.11 73.54 92.94 3.20 73.43 91.70 3.29 73.76 93.57 1.83 72.44 93.63 1.05 3 0 17.04-999 ?-999 ?-999 ? O3 GOL A 301 mLYS^A 26 73.50 93.81 4.21 73.74 94.73 3.89 72.18 92.36 5.86 72.36 91.58 6.80 73.15 93.53 5.62 72.58 94.82 6.22 2 0 17.79-999 ?-999 ?-999 ? C3 GOL A 301 mALA^A 27 71.17 92.24 5.00 71.24 92.91 4.26 70.43 89.81 4.69 69.73 88.84 5.03 70.07 91.25 5.10 68.83 91.74 4.35 2 0 19.59-999 ?-999 ?-999 ? O3 GOL A 301 mPHE^A 28 71.53 89.66 3.97 71.97 90.51 3.69 73.21 87.91 4.52 73.86 86.89 4.22 72.03 88.34 3.63 72.42 88.29 2.17 3 0 16.72-999 ?-999 ?-999 ? O3 GOL A 301 mLEU^A 29 73.48 88.67 5.58 72.96 89.52 5.61 73.74 87.78 7.84 72.64 88.25 8.13 74.47 88.26 6.60 75.43 89.40 6.97 3 0 14.91-999 ?-999 ?-999 ? C3 GOL A 301 mASN^A 30 74.34 86.85 8.56 75.23 86.56 8.22 73.80 87.32 10.90 74.24 88.44 10.67 73.71 86.31 9.76 74.34 84.96 10.14 2 0 16.34-999 ?-999 ?-999 ? C3 GOL A 301 mSER^A 31 73.43 86.92 12.13 73.09 85.98 12.17 74.89 88.51 13.39 74.96 89.72 13.65 73.52 87.82 13.30 73.25 87.12 14.64 2 0 18.21-999 ?-999 ?-999 ? O2 GOL A 301 mASN^A 32 75.97 87.74 13.16 75.76 86.82 12.85 78.03 88.87 12.13 79.23 89.11 12.16 77.34 88.26 13.35 78.24 87.19 13.95 2 0 15.12-999 ?-999 ?-999 ? O2 GOL A 301 mGLY^A 33 77.27 89.12 11.07 76.32 88.82 11.15 78.57 88.86 8.95 79.39 89.31 8.13 77.82 89.79 9.89-999.99-999.99-999.99 1 0 13.51-999 ?-999 ?-999 ? C3 GOL A 301 mLEU^A 34 78.27 87.56 9.05 77.57 87.35 9.73 78.03 86.07 7.07 76.84 85.81 7.26 78.92 86.54 8.23 79.35 85.36 9.10 3 0 11.01-999 ?-999 ?-999 ? C3 GOL A 301 mPRO^A 35 78.61 85.99 5.86 79.57 86.25 5.82 77.62 84.04 4.68 78.48 83.24 4.30 77.86 85.56 4.69 78.76 85.99 3.54 3 0 10.75-999 ?-999 ?-999 ? O3 GOL A 301 mTHR^A 36 76.41 83.67 5.09 75.79 84.43 5.26 75.07 81.80 4.22 74.61 80.67 4.24 76.05 82.27 5.28 75.44 82.10 6.67 2 0 12.82-999 ?-999 ?-999 ? O3 GOL A 301 mTYR^A 37 74.77 82.67 3.26 75.28 83.53 3.33 74.47 81.75 0.99 75.08 82.46 0.19 73.80 82.38 2.21 73.09 83.69 1.83 3 0 14.61-999 ?-999 ?-999 ? O3 GOL A 301 mSER^A 38 74.33 80.43 0.84 73.70 80.00 1.49 74.44 79.75 -1.62 73.24 79.75 -1.80 75.04 79.68 -0.20 75.25 78.23 0.23 2 0 14.27-999 ?-999 ?-999 ? O3 GOL A 301 mPRO^A 39 75.31 79.77 -2.64 76.28 79.71 -2.41 74.27 78.56 -4.58 74.65 77.47 -4.12 74.79 79.89 -3.99 76.00 80.38 -4.78 3 0 15.49-999 ?-999 ?-999 ? O3 GOL A 301 mLYS^A 40 73.41 78.67 -5.60 73.09 79.60 -5.79 74.21 77.02 -7.10 74.89 77.79 -7.75 72.98 77.52 -6.36 71.85 77.91 -7.31 2 0 18.81-999 ?-999 ?-999 ? O3 GOL A 301 mILE^A 41 74.51 75.74 -6.94 73.92 75.27 -6.28 75.01 73.80 -8.23 74.22 73.12 -7.56 75.60 75.07 -7.66 76.79 74.69 -6.73 3 0 18.58-999 ?-999 ?-999 ? O3 GOL A 301 mSER^A 42 75.38 73.50 -9.48 76.03 74.15 -9.87 75.91 71.80 -11.17 76.92 72.47 -11.44 74.87 72.33 -10.18 73.56 72.64 -10.90 2 0 21.89-999 ?-999 ?-999 ? O3 GOL A 301 mTRP^A 43 75.64 70.61 -11.72 74.73 70.26 -11.52 75.96 68.82 -13.35 74.82 68.45 -13.08 76.62 69.92 -12.53 77.71 69.33 -11.62 3 0 23.74-999 ?-999 ?-999 ? O3 GOL A 301 mGLN^A 44 76.66 68.29 -14.34 77.57 68.68 -14.46 75.81 65.99 -14.31 76.53 65.72 -13.35 76.10 67.21 -15.15 77.05 66.81 -16.29 2 0 27.05-999 ?-999 ?-999 ? O2 SO4 B 305 mLYS^A 45 74.76 65.27 -14.66 74.17 65.71 -15.34 75.66 63.06 -14.52 76.16 63.18 -15.64 74.51 63.96 -14.08 73.17 63.41 -14.58 2 0 26.01-999 ?-999 ?-999 ? O2 SO4 B 305 mVAL^A 46 76.13 62.20 -13.62 75.71 62.26 -12.71 76.56 59.88 -13.85 76.12 59.50 -12.75 77.18 61.26 -13.97 78.45 61.39 -13.06 3 0 23.09-999 ?-999 ?-999 ? O2 SO4 B 305 mGLU^A 47 76.50 59.14 -14.95 76.93 59.56 -15.75 76.68 56.85 -14.10 77.90 56.75 -14.26 75.87 57.82 -14.94 75.70 57.28 -16.37 2 0 23.79-999 ?-999 ?-999 ? O2 SO4 B 305 mGLY^A 48 76.01 56.15 -13.19 75.02 56.29 -13.23 76.61 55.83 -10.82 76.60 55.07 -9.85 76.66 55.27 -12.23-999.99-999.99-999.99 1 0 21.10-999 ?-999 ?-999 ? O2 SO4 B 305 mALA^A 49 76.57 57.17 -10.72 76.53 57.63 -11.60 75.32 57.60 -8.62 74.27 57.30 -9.18 76.57 57.87 -9.43 76.76 59.38 -9.62 2 0 19.92-999 ?-999 ?-999 ? O2 SO4 B 305 mGLN^A 50 75.43 57.71 -7.30 76.34 57.98 -6.99 74.23 58.53 -5.34 73.26 58.62 -4.59 74.31 57.45 -6.40 74.48 56.10 -5.74 2 0 20.47-999 ?-999 ?-999 ? O2 SO4 B 305 mSER^A 51 75.29 59.33 -5.27 76.06 59.00 -5.83 76.54 61.34 -4.97 77.35 60.85 -5.75 75.36 60.54 -4.47 75.49 60.25 -2.97 2 0 19.72-999 ?-999 ?-999 ? O2 SO4 B 305 mTYR^A 52 76.61 62.59 -4.55 75.83 62.87 -3.98 78.19 64.07 -3.56 77.44 64.10 -2.58 77.71 63.46 -4.86 77.27 64.56 -5.82 3 0 19.10-999 ?-999 ?-999 ? O2 SO4 B 305 mALA^A 53 79.44 64.53 -3.56 79.97 64.24 -4.35 80.58 66.65 -3.13 80.84 66.71 -4.34 79.99 65.37 -2.51 81.04 64.60 -1.73 2 0 17.87-999 ?-999 ?-999 ? O2 SO4 B 305 mLEU^A 54 80.80 67.68 -2.30 80.58 67.50 -1.34 82.22 69.62 -1.75 81.88 69.67 -0.56 81.33 68.95 -2.80 80.17 69.86 -3.21 3 0 17.79-999 ?-999 ?-999 ? O3 GOL A 301 mGLU^A 55 83.38 70.11 -2.20 83.60 69.84 -3.13 84.46 72.31 -2.08 84.64 72.34 -3.29 84.24 70.97 -1.38 85.56 70.28 -1.06 2 0 14.62-999 ?-999 ?-999 ? O3 GOL A 301 mLEU^A 56 84.44 73.40 -1.32 84.25 73.21 -0.36 85.87 75.37 -1.17 85.83 75.61 0.04 84.67 74.74 -1.87 83.42 75.62 -1.73 3 0 11.20-999 ?-999 ?-999 ? O3 GOL A 301 mILE^A 57 86.92 75.64 -1.94 86.73 75.59 -2.92 88.81 77.24 -2.02 88.63 77.48 -3.21 88.22 75.96 -1.39 89.18 74.75 -1.54 3 0 9.30-999 ?-999 ?-999 ? O3 GOL A 301 mASP^A 58 89.48 78.05 -1.19 89.50 77.74 -0.24 91.63 79.11 -1.61 92.27 79.20 -0.56 90.12 79.29 -1.64 89.71 80.48 -0.76 2 0 -6.74-999 ?-999 ?-999 ? O3 GOL A 301s mHIS^A 59 92.19 78.87 -2.78 91.54 78.80 -3.54 94.32 80.05 -2.70 95.44 80.09 -2.13 93.63 78.73 -2.94 93.94 78.24 -4.35 3 0 8.30-999 ?-999 ?-999 ? O1 GOL A 301 mASP^A 60 93.65 81.14 -3.08 92.75 80.96 -3.49 94.39 82.86 -1.44 95.03 83.86 -1.14 94.22 82.48 -2.90 93.43 83.55 -3.64 2 0 6.31-999 ?-999 ?-999 ? O1 GOL A 301 mALA^A 61 93.83 82.06 -0.53 93.33 81.27 -0.90 95.35 81.96 1.43 95.71 82.36 2.56 93.96 82.35 0.88 92.87 81.72 1.67 2 0 -3.79-999 ?-999 ?-999 ? O1 GOL A 301s mGLN^A 62 96.14 81.21 0.65 95.77 80.98 -0.25 98.38 81.96 1.37 99.04 82.06 2.40 97.45 80.79 1.15 98.14 79.73 0.28 2 0 7.33-999 ?-999 ?-999 ? O1 GOL A 301 mLYS^A 63 98.43 82.84 0.38 97.93 82.55 -0.44 98.72 84.91 1.71 99.56 85.46 2.42 99.15 84.11 0.47 98.90 84.89 -0.83 2 0 7.96-999 ?-999 ?-999 ? O1 GOL A 301 mVAL^A 64 97.41 84.97 1.95 96.86 84.43 1.32 97.13 85.14 4.39 97.40 85.86 5.33 96.84 85.75 3.04 95.30 85.93 2.88 3 0 5.55-999 ?-999 ?-999 ? O1 GOL A 301 mCYH^A 65 97.05 83.83 4.53 96.89 83.29 3.70 98.01 82.03 6.06 97.99 81.43 7.14 97.21 83.30 5.90 95.85 83.15 6.57 2 0 6.63-999 ?-999 ?-999 ? C1 GOL A 301 mGLY^A 66 98.75 81.64 5.02 98.60 82.17 4.18 99.15 79.25 4.51 99.92 78.44 4.00 99.68 80.53 5.11-999.99-999.99-999.99 1 0 9.64-999 ?-999 ?-999 ? C1 GOL A 301 mMETA 67 97.83 79.07 4.55 97.32 79.79 5.01 95.97 78.22 3.19 95.47 79.31 3.36 97.21 77.88 3.97 96.87 76.89 5.07 2 0 9.17-999 ?-999 ?-999 ? C1 GOL A 301 mPRO^A 68 95.48 77.31 2.33 96.03 76.49 2.16 93.01 77.36 2.66 93.09 76.54 3.56 94.19 77.57 1.69 94.14 76.57 0.53 3 0 7.77-999 ?-999 ?-999 ? O1 GOL A 301 mPHE^A 69 91.94 78.12 2.46 91.96 78.62 1.59 89.68 77.35 2.92 89.31 77.41 1.74 90.84 78.21 3.41 90.42 79.66 3.49 3 0 -6.16-999 ?-999 ?-999 ? C2 GOL A 301s mVAL^A 70 89.11 76.57 3.82 89.55 76.59 4.72 86.65 76.49 3.78 86.32 76.75 4.95 87.95 75.76 3.48 87.96 74.42 4.26 3 0 8.68-999 ?-999 ?-999 ? C2 GOL A 301 mHIS^A 71 85.90 76.78 2.71 86.34 76.48 1.86 83.35 76.57 2.92 82.43 76.93 3.65 84.60 77.46 2.75 84.43 78.26 1.47 3 0 8.05-999 ?-999 ?-999 ? O3 GOL A 301 mTRP^A 72 83.31 75.43 2.23 84.12 75.26 1.67 82.58 73.09 2.05 83.37 72.80 1.13 82.16 74.54 2.31 81.13 74.96 1.27 3 0 11.76-999 ?-999 ?-999 ? O3 GOL A 301 mVAL^A 73 82.10 72.17 2.88 81.67 72.52 3.72 80.87 70.09 2.74 80.25 70.21 3.80 82.21 70.76 2.53 83.45 70.04 3.19 3 0 15.10-999 ?-999 ?-999 ? O3 GOL A 301 mVAL^A 74 80.39 69.43 1.70 80.99 69.43 0.89 79.11 67.40 1.12 79.68 67.21 0.05 79.09 68.78 1.76 77.91 69.69 1.24 3 0 18.29-999 ?-999 ?-999 ? O3 GOL A 301 mGLY^A 75 78.54 66.43 1.82 78.24 66.71 2.74 76.91 64.70 1.37 76.08 65.47 1.89 78.37 65.09 1.28-999.99-999.99-999.99 1 0 18.58-999 ?-999 ?-999 ? O2 SO4 B 305 mASN^A 76 76.61 63.49 0.89 77.41 62.97 0.59 74.30 63.90 0.00 73.17 64.19 0.41 75.22 62.99 0.81 74.64 62.69 2.20 2 0 20.08-999 ?-999 ?-999 ? O2 SO4 B 305 mILE^A 77 74.80 64.34 -1.15 75.77 64.11 -1.31 73.36 64.05 -3.01 74.04 63.46 -3.87 74.00 65.08 -2.09 74.83 66.10 -2.91 3 0 22.39-999 ?-999 ?-999 ? O2 SO4 B 305 mALA^A 78 72.05 63.84 -2.84 71.62 64.39 -2.12 71.19 63.23 -5.12 71.07 62.36 -5.96 71.33 62.86 -3.63 69.97 62.59 -3.00 2 0 24.00-999 ?-999 ?-999 ? O2 SO4 B 305 mHIS^A 79 71.22 64.51 -5.45 71.43 65.14 -4.70 72.01 65.88 -7.38 72.79 66.44 -6.64 70.96 64.92 -6.82 69.53 65.46 -6.93 3 0 25.97-999 ?-999 ?-999 ? O2 SO4 B 305 mASN^A 80 72.02 66.08 -8.70 71.26 65.66 -9.19 73.01 68.38 -9.21 73.48 69.10 -10.10 73.10 66.85 -9.33 73.33 66.40 -10.79 2 0 25.96-999 ?-999 ?-999 ? O3 GOL A 301 mVAL^A 81 72.44 68.85 -8.11 72.13 68.13 -7.49 72.28 70.54 -6.31 71.76 69.74 -5.55 72.28 70.28 -7.82 70.91 70.87 -8.38 3 0 23.62-999 ?-999 ?-999 ? O3 GOL A 301 mLEU^A 82 72.86 71.66 -5.91 73.52 72.04 -6.56 71.83 73.58 -4.89 72.34 74.48 -5.55 72.56 72.27 -4.62 73.79 72.49 -3.72 3 0 21.04-999 ?-999 ?-999 ? O3 GOL A 301 mGLU^A 83 70.62 73.63 -4.35 70.42 72.86 -3.75 70.15 75.92 -3.82 70.83 75.76 -2.81 69.67 74.69 -4.61 68.31 74.17 -4.13 2 0 22.08-999 ?-999 ?-999 ? O3 GOL A 301 mGLU^A 84 69.86 77.12 -4.29 69.32 77.12 -5.14 69.89 78.31 -2.12 68.77 77.87 -1.78 70.29 78.34 -3.61 69.74 79.58 -4.32 2 0 19.84-999 ?-999 ?-999 ? O3 GOL A 301 mASN^A 85 70.80 78.73 -1.24 71.65 79.06 -1.66 70.52 77.31 0.79 70.01 77.11 1.90 70.57 78.72 0.21 69.28 79.47 0.56 2 0 18.71-999 ?-999 ?-999 ? O3 GOL A 301 mALA^A 86 71.04 76.33 0.05 71.45 76.63 -0.81 71.62 74.75 1.88 71.14 73.95 2.68 70.98 74.95 0.51 71.63 74.05 -0.49 2 0 19.83-999 ?-999 ?-999 ? O3 GOL A 301 mSER^A 87 72.70 75.48 2.17 72.97 76.14 1.47 72.49 75.48 4.64 72.53 74.67 5.55 73.40 75.29 3.42 74.66 76.17 3.50 2 0 17.57-999 ?-999 ?-999 ? O3 GOL A 301 mMETA 88 71.65 76.51 4.63 71.69 77.08 3.81 69.40 76.04 5.63 68.68 75.86 6.61 70.77 76.74 5.77 70.66 78.25 6.08 2 0 19.52-999 ?-999 ?-999 ? O3 GOL A 301 mMETA 89 69.06 75.60 4.41 69.75 75.78 3.71 67.75 73.42 3.88 66.82 72.73 4.29 67.78 74.93 4.16 67.04 75.64 3.05 2 0 22.73-999 ?-999 ?-999 ? O3 GOL A 301 mASP^A 90 68.75 72.91 3.17 69.47 73.56 2.92 68.98 70.60 4.01 70.00 70.72 4.71 68.75 71.50 2.79 69.76 71.26 1.68 2 0 23.50-999 ?-999 ?-999 ? O3 GOL A 301 mLYS^A 91 68.02 69.72 4.27 67.28 69.68 3.61 68.50 67.45 5.20 68.57 66.66 6.13 68.10 68.89 5.46 66.80 68.96 6.27 2 0 25.77-999 ?-999 ?-999 ? O3 GOL A 301 mARG^A 92 68.78 67.12 3.94 68.65 67.86 3.28 70.77 65.69 3.52 71.36 64.65 3.86 69.24 65.78 3.59 68.63 65.33 2.26 2 0 26.79-999 ?-999 ?-999 ? O3 GOL A 301 mILE^A 93 71.40 66.78 3.07 70.80 67.53 2.81 73.48 66.82 4.36 72.85 67.15 5.36 72.84 66.82 2.97 73.34 68.05 2.18 3 0 23.54-999 ?-999 ?-999 ? O3 GOL A 301 mVAL^A 94 74.74 66.43 4.40 75.11 66.10 3.53 76.67 67.42 5.35 77.25 67.41 4.25 75.50 66.48 5.63 75.88 65.03 6.09 3 0 22.19-999 ?-999 ?-999 ? O2 SO4 B 305 mGLN^A 95 76.96 68.30 6.30 76.49 68.12 7.17 79.12 69.40 6.99 78.98 69.15 8.19 77.90 69.41 6.07 77.17 70.73 6.18 2 0 18.78-999 ?-999 ?-999 ? O2 GOL A 301 mGLY^A 96 80.31 69.67 6.43 80.23 69.95 5.47 81.99 70.90 7.74 81.36 71.92 7.52 81.59 69.58 7.12-999.99-999.99-999.99 1 0 16.68-999 ?-999 ?-999 ? O2 GOL A 301 mVAL^A 97 83.07 70.86 8.52 83.55 69.99 8.51 84.36 72.95 8.48 85.34 72.52 7.88 83.50 72.01 9.32 84.30 71.54 10.56 3 0 14.12-999 ?-999 ?-999 ? O2 GOL A 301 mASN^A 98 84.00 74.24 8.44 83.20 74.49 8.98 85.95 75.79 8.39 86.09 75.61 9.60 84.77 75.16 7.62 83.85 76.20 6.99 2 0 10.42-999 ?-999 ?-999 ? O2 GOL A 301 mSER^A 99 86.77 76.57 7.69 86.48 76.74 6.75 87.83 78.27 9.24 88.83 78.79 9.72 87.99 77.10 8.28 89.01 77.41 7.20 2 0 7.80-999 ?-999 ?-999 ? O2 GOL A 301 mLEU^A 100 86.62 78.71 9.53 85.88 78.31 8.99 86.47 79.06 11.94 86.44 79.75 12.95 86.44 79.71 10.58 85.09 80.44 10.45 3 0 7.53-999 ?-999 ?-999 ? O2 GOL A 301 mTHR^A 101 86.49 77.73 11.98 86.63 77.28 11.09 87.46 77.31 14.22 88.57 77.66 13.81 86.33 77.01 13.23 86.22 75.49 13.03 2 0 11.11-999 ?-999 ?-999 ? O2 GOL A 301 mGLN^A 102 87.13 77.19 15.51 86.16 77.01 15.65 88.20 75.93 17.28 88.71 75.83 18.39 88.10 77.30 16.61 87.64 78.33 17.65 2 0 13.27-999 ?-999 ?-999 ? O2 GOL A 301 mGLY^A 103 87.69 74.90 16.62 87.42 75.11 15.68 88.50 72.54 16.65 88.35 71.37 16.94 87.56 73.57 17.23-999.99-999.99-999.99 1 0 14.02-999 ?-999 ?-999 ? O3 GOL B 302 mPHE^A 104 89.44 72.98 15.82 89.35 73.94 15.57 91.36 71.62 16.52 91.35 72.22 17.58 90.52 72.11 15.34 91.38 72.83 14.31 3 0 10.22-999 ?-999 ?-999 ? O3 GOL B 302 mILE^A 105 92.11 70.53 16.33 92.19 70.25 15.37 93.71 70.66 18.33 93.73 70.52 19.55 92.74 69.82 17.47 93.42 68.52 17.03 3 0 9.28-999 ?-999 ?-999 ? O3 GOL B 302 mARG^A 106 94.48 71.54 17.71 94.33 71.67 16.73 94.97 73.55 19.11 95.72 74.31 19.72 95.47 72.24 18.51 96.85 72.35 17.81 2 0 9.30-999 ?-999 ?-999 ? O3 GOL B 302 mSER^A 107 93.68 73.79 18.96 93.20 73.09 18.42 93.10 74.93 21.05 93.16 73.86 21.67 93.00 74.94 19.52 91.55 74.91 19.05 2 0 10.72-999 ?-999 ?-999 ? C3 GOL C 303 mPRO^A 108 93.14 76.11 21.68 93.13 76.91 21.08 91.87 76.08 23.83 91.80 76.33 25.05 93.21 76.18 23.13 93.77 77.58 23.36 3 0 7.84-999 ?-999 ?-999 ? C3 GOL C 303 mLEU^A 109 90.80 75.76 23.11 90.97 75.66 22.13 89.40 74.13 24.27 90.11 73.24 23.75 89.49 75.57 23.76 88.33 75.88 22.81 3 0 10.09-999 ?-999 ?-999 ? O1 GOL C 303 mASN^A 110 88.56 73.88 25.27 88.08 74.68 25.63 87.58 71.66 24.81 86.98 72.21 23.87 88.41 72.51 25.76 87.88 72.46 27.19 2 0 11.74-999 ?-999 ?-999 ? O1 GOL C 303 mGLU^A 111 87.56 70.34 25.05 88.07 70.06 25.85 85.38 69.86 23.85 84.97 69.76 22.69 86.84 69.41 24.19 86.89 67.99 24.77 2 0 15.39-999 ?-999 ?-999 ? O1 GOL C 303 mSER^A 112 84.62 70.37 24.83 85.11 70.46 25.70 83.02 71.98 23.76 82.06 72.08 22.98 83.19 70.75 24.62 82.48 71.07 25.94 2 0 17.01-999 ?-999 ?-999 ? O1 GOL C 303 mGLU^A 113 83.92 72.94 23.95 84.61 72.73 24.65 84.43 73.98 21.81 84.08 74.74 20.89 83.88 74.18 23.21 84.65 75.28 23.93 2 0 15.27-999 ?-999 ?-999 ? O1 GOL C 303 mLYS^A 114 85.30 72.98 21.65 85.56 72.52 22.49 84.65 72.01 19.53 84.50 72.28 18.33 85.80 72.61 20.33 86.96 71.62 20.44 2 0 15.92-999 ?-999 ?-999 ? O1 GOL C 303 mGLN^A 115 83.83 71.22 20.22 84.08 71.14 21.19 81.61 71.56 19.24 81.06 71.51 18.14 82.68 70.55 19.63 82.13 69.49 20.62 2 0 18.66-999 ?-999 ?-999 ? O3 GOL B 302 mARG^A 116 81.33 72.49 20.15 81.85 72.41 21.00 80.77 74.43 18.72 79.94 74.75 17.86 80.35 73.54 19.89 80.06 74.34 21.17 2 0 19.87-999 ?-999 ?-999 ? O1 GOL C 303 mSER^A 117 82.05 74.79 18.66 82.59 74.47 19.44 82.60 74.86 16.19 82.31 75.46 15.16 82.59 75.60 17.55 83.99 76.14 17.89 2 0 16.43-999 ?-999 ?-999 ? O2 GOL A 301 mASN^A 118 82.90 73.56 16.22 83.17 73.21 17.11 81.43 72.65 14.43 81.26 72.88 13.22 82.83 72.75 15.03 83.42 71.38 15.29 2 0 16.38-999 ?-999 ?-999 ? O2 GOL A 301 mLEU^A 119 80.44 72.31 15.26 80.74 72.06 16.18 78.64 73.71 14.37 78.06 73.89 13.30 79.04 72.32 14.81 78.11 71.81 15.90 3 0 18.42-999 ?-999 ?-999 ? O2 GOL A 301 mASN^A 120 79.00 74.72 15.15 79.46 74.47 16.00 79.19 76.41 13.34 78.55 77.15 12.61 78.70 76.09 14.73 79.28 77.11 15.70 2 0 16.43-999 ?-999 ?-999 ? O2 GOL A 301 mASN^A 121 80.34 75.85 12.97 80.71 75.19 13.62 80.79 75.13 10.65 81.50 75.10 9.64 80.98 76.21 11.71 82.46 76.54 11.95 2 0 13.28-999 ?-999 ?-999 ? O2 GOL A 301 mSER^A 122 79.85 74.23 10.88 79.34 74.34 11.73 78.64 73.65 8.84 77.59 73.04 8.64 79.62 73.19 9.91 79.14 71.91 10.61 2 0 15.45-999 ?-999 ?-999 ? O2 GOL A 301 mVAL^A 123 78.99 74.75 8.16 79.91 75.07 8.40 78.97 76.08 6.09 80.21 76.09 6.14 78.14 75.42 7.17 77.27 76.54 7.78 3 0 14.45-999 ?-999 ?-999 ? O2 GOL A 301 mTYR^A 124 78.29 76.63 5.10 77.31 76.42 5.11 79.30 78.81 4.71 78.48 79.46 5.36 78.91 77.46 4.09 77.93 77.68 2.93 3 0 11.92-999 ?-999 ?-999 ? O3 GOL A 301 mILE^A 125 80.55 79.19 4.51 81.15 78.48 4.15 81.46 81.13 3.45 82.20 80.46 2.71 81.00 80.55 4.80 82.13 80.58 5.89 3 0 8.73-999 ?-999 ?-999 ? O3 GOL A 301 mGLY^A 126 80.98 82.35 3.14 80.48 82.80 3.88 82.52 83.61 1.67 83.23 83.79 2.67 81.17 82.94 1.81-999.99-999.99-999.99 1 0 7.27-999 ?-999 ?-999 ? O3 GOL A 301 mPRO^A 127 82.91 83.98 0.43 82.28 83.71 -0.30 84.25 86.01 0.97 83.25 86.74 1.07 84.16 84.71 0.19 84.10 85.01 -1.30 3 0 4.49-999 ?-999 ?-999 ? O3 GOL A 301 mMETA 128 85.43 86.30 1.51 86.11 85.58 1.40 87.17 88.00 1.98 87.90 88.27 2.94 85.71 87.56 2.20 85.47 87.40 3.71 2 0 -3.90-999 ?-999 ?-999 ? O3 GOL A 301s mPRO^A 129 87.62 88.09 0.70 86.92 88.03 -0.02 89.57 89.66 0.80 89.05 90.64 0.27 89.07 88.26 0.47 89.22 87.96 -1.02 3 0 4.07-999 ?-999 ?-999 ? O3 GOL A 301 mPRO^A 130 90.59 89.78 1.67 91.02 88.92 1.95 91.97 91.86 1.23 91.94 93.08 1.15 90.98 91.13 2.14 91.60 90.87 3.53 3 0 6.34-999 ?-999 ?-999 ? O1 GOL A 301 mASN^A 131 92.83 91.12 0.54 92.66 90.13 0.61 93.54 91.95 -1.70 94.38 92.40 -2.48 93.91 91.71 -0.23 95.14 90.79 -0.15 2 0 7.75-999 ?-999 ?-999 ? O1 GOL A 301 mGLY^A 132 92.31 91.62 -2.10 91.72 91.26 -1.37 90.99 90.70 -3.94 90.66 89.83 -3.14 91.91 91.80 -3.50-999.99-999.99-999.99 1 0 9.07-999 ?-999 ?-999 ? O1 GOL A 301 mASP^A 133 90.56 90.73 -5.20 90.94 91.47 -5.75 90.28 88.37 -5.69 91.48 88.28 -5.91 89.61 89.72 -5.70 89.10 90.05 -7.11 2 0 9.40-999 ?-999 ?-999 ? O3 GOL A 301 mHIS^A 134 89.51 87.32 -5.44 88.55 87.55 -5.29 89.26 85.03 -6.32 88.07 85.22 -6.58 90.02 85.96 -5.38 89.81 85.39 -3.99 3 0 -7.77-999 ?-999 ?-999 ? O3 GOL A 301s mHIS^A 135 89.96 84.02 -6.81 90.95 84.11 -6.72 89.00 81.86 -6.35 89.69 81.79 -5.31 89.31 82.89 -7.44 90.18 82.30 -8.54 3 0 9.71-999 ?-999 ?-999 ? O3 GOL A 301 mTYR^A 136 87.94 81.10 -6.56 87.45 81.30 -7.41 87.27 78.86 -6.43 86.78 78.96 -7.57 87.52 80.09 -5.62 86.24 80.51 -4.92 3 0 -8.94-999 ?-999 ?-999 ? O3 GOL A 301s mLEU^A 137 87.61 77.72 -5.86 87.98 77.80 -4.93 86.35 75.61 -5.92 86.40 75.26 -4.72 87.47 76.45 -6.54 88.79 75.69 -6.55 3 0 11.88-999 ?-999 ?-999 ? O3 GOL A 301 mILE^A 138 85.34 75.31 -6.74 85.33 75.81 -7.60 84.88 73.04 -6.96 85.31 73.02 -8.13 84.32 74.33 -6.39 82.97 74.58 -7.11 3 0 13.87-999 ?-999 ?-999 ? O3 GOL A 301 mGLN^A 139 84.87 71.97 -6.17 84.65 72.15 -5.21 84.06 69.69 -6.34 83.68 69.60 -5.18 85.18 70.66 -6.71 86.54 70.18 -6.19 2 0 16.75-999 ?-999 ?-999 ? O3 GOL A 301 mVAL^A 140 83.50 69.00 -7.34 83.90 69.17 -8.24 82.81 66.63 -7.34 83.43 66.31 -8.35 82.40 68.07 -7.07 81.16 68.42 -7.91 3 0 19.65-999 ?-999 ?-999 ? O2 SO4 B 305 mTYR^A 141 82.45 65.74 -6.43 81.93 66.13 -5.66 81.56 63.51 -6.82 80.58 63.62 -6.06 82.80 64.34 -6.57 83.48 63.82 -5.29 3 0 16.62-999 ?-999 ?-999 ? O2 SO4 B 305 mALA^A 142 81.59 62.67 -7.85 82.41 62.75 -8.43 80.87 60.38 -7.47 81.94 59.83 -7.72 80.51 61.73 -8.10 80.24 61.60 -9.60 2 0 17.45-999 ?-999 ?-999 ? O2 SO4 B 305 mLEU^A 143 79.97 59.85 -6.65 79.10 60.35 -6.60 79.40 57.41 -6.31 78.27 57.54 -6.78 80.25 58.63 -5.89 80.10 58.92 -4.40 3 0 15.34-999 ?-999 ?-999 ? O2 SO4 B 305 mASP^A 144 79.96 56.22 -6.16 80.89 56.22 -5.79 78.42 54.47 -5.34 77.95 53.33 -5.41 79.20 55.03 -6.52 80.12 53.94 -7.09 2 0 15.78-999 ?-999 ?-999 ? O2 SO4 B 305 mILE^A 145 78.30 55.24 -4.26 78.81 56.10 -4.30 76.47 55.88 -2.73 76.71 57.06 -2.95 77.49 54.82 -3.12 78.32 54.37 -1.91 3 0 16.09-999 ?-999 ?-999 ? O2 SO4 B 305 mPRO^A 146 75.31 55.45 -2.22 75.22 54.46 -2.11 74.60 57.29 -0.62 74.29 58.48 -0.60 74.28 56.44 -1.87 73.03 55.59 -1.65 3 0 19.15-999 ?-999 ?-999 ? O2 SO4 B 305 mLYS^A 147 75.21 56.68 0.39 75.47 55.73 0.22 76.88 57.25 2.20 77.47 56.18 2.19 75.46 57.39 1.64 74.44 57.01 2.71 2 0 17.94-999 ?-999 ?-999 ? O2 SO4 B 305 mLEU^A 148 77.41 58.37 2.68 76.83 59.18 2.56 78.46 58.29 4.81 77.51 58.85 5.34 78.70 58.43 3.32 79.33 59.78 3.00 3 0 15.26-999 ?-999 ?-999 ? O2 SO4 B 305 mALA^A 149 79.31 57.54 5.51 80.02 57.10 4.97 79.80 58.58 7.67 80.85 58.42 8.29 79.15 57.40 6.95 79.71 56.07 7.44 2 0 15.53-999 ?-999 ?-999 ? O2 SO4 B 305 mLEU^A 150 79.18 59.74 7.56 78.32 59.69 7.04 78.65 61.68 8.99 77.50 61.86 8.56 79.69 60.99 8.13 80.14 61.94 7.02 3 0 16.78-999 ?-999 ?-999 ? O2 SO4 B 305 mLYS^A 151 79.05 62.06 10.20 80.00 61.83 10.40 78.87 64.07 11.56 80.04 64.03 11.96 78.18 62.77 11.13 77.92 61.88 12.36 2 0 20.13-999 ?-999 ?-999 ? O2 SO4 B 305 mALA^A 152 78.17 65.21 11.46 77.27 65.10 11.04 79.03 66.38 13.43 78.20 65.92 14.21 78.70 66.50 11.94 77.71 67.63 11.69 2 0 20.39-999 ?-999 ?-999 ? O3 GOL B 302 mPRO^A 153 80.24 66.79 13.84 80.39 66.53 14.80 82.27 66.59 12.39 82.79 65.64 12.99 81.28 67.50 13.10 82.02 68.26 14.21 3 0 17.85-999 ?-999 ?-999 ? O3 GOL B 302 mPHE^A 154 82.55 66.87 11.13 82.00 67.61 10.74 84.39 67.10 9.58 83.92 68.19 9.23 83.58 66.13 10.40 82.97 65.01 9.53 3 0 15.56-999 ?-999 ?-999 ? O3 GOL B 302 mPHE^A 155 85.61 66.69 9.24 85.84 65.76 9.51 86.78 67.12 7.13 86.41 66.01 6.75 86.50 67.58 8.55 87.79 67.71 9.33 3 0 12.65-999 ?-999 ?-999 ? O3 GOL B 302 mLEU^A 156 87.46 67.98 6.37 87.76 68.81 6.85 88.35 66.37 4.70 87.98 65.71 3.74 87.75 67.74 4.96 88.63 68.85 4.39 3 0 12.58-999 ?-999 ?-999 ? O3 GOL B 302 mGLY^A 157 89.25 65.92 5.57 89.43 66.54 6.33 88.99 63.47 5.75 89.18 62.36 5.28 89.91 64.62 5.42-999.99-999.99-999.99 1 0 11.18-999 ?-999 ?-999 ? O3 GOL B 302 mASP^A 158 87.97 63.74 6.57 87.97 64.65 6.97 86.11 62.46 5.61 85.83 61.30 5.28 86.96 62.72 6.84 86.09 63.15 7.99 2 0 12.37-999 ?-999 ?-999 ? O2 SO4 B 305 mLEU^A 159 85.70 63.53 4.92 85.88 64.41 5.35 85.90 62.46 2.75 85.43 61.42 2.28 85.05 63.38 3.63 84.82 64.73 2.95 3 0 12.85-999 ?-999 ?-999 ? O2 SO4 B 305 mHIS^A 160 87.17 62.83 2.58 87.44 63.65 3.08 88.28 60.61 2.16 88.42 59.72 1.33 88.08 62.07 1.72 89.41 62.81 1.54 3 0 9.79-999 ?-999 ?-999 ? O2 SO4 B 305 mASP^A 161 88.26 60.38 3.46 88.18 61.19 4.04 87.16 58.20 3.51 87.31 57.09 3.01 88.36 59.02 3.97 88.47 59.01 5.49 2 0 7.70-999 ?-999 ?-999 ? O2 SO4 B 305 mLYS^A 162 85.96 58.75 3.67 85.96 59.67 4.06 84.56 57.97 1.79 83.96 57.05 1.27 84.77 58.01 3.30 83.54 58.54 4.02 2 0 9.60-999 ?-999 ?-999 ? O2 SO4 B 305 mMETA 163 85.08 58.96 1.07 85.54 59.68 1.60 85.95 57.98 -1.04 85.70 57.52 -2.16 84.96 58.94 -0.38 85.16 60.33 -0.98 2 0 9.74-999 ?-999 ?-999 ? O2 SO4 B 305 mARG^A 164 87.07 57.69 -0.37 87.08 58.05 0.57 87.68 55.60 -1.59 86.89 54.88 -0.99 88.17 56.93 -0.97 89.29 56.70 0.06 2 0 -6.17-999 ?-999 ?-999 ? O2 SO4 B 305s mASN^A 165 88.13 55.32 -2.82 88.78 56.00 -3.16 86.29 54.15 -4.10 85.81 53.16 -4.65 87.72 54.12 -3.58 87.90 52.83 -2.75 2 0 7.01-999 ?-999 ?-999 ? O2 SO4 B 305 mHIS^A 166 85.58 55.27 -3.94 86.08 56.01 -3.48 83.99 56.49 -5.40 82.85 56.76 -5.79 84.21 55.37 -4.39 83.28 55.60 -3.20 3 0 10.47-999 ?-999 ?-999 ? O2 SO4 B 305 mILE^A 167 85.06 57.14 -5.83 85.92 56.80 -5.45 85.03 57.75 -8.20 86.03 57.17 -8.61 84.97 58.26 -6.76 86.08 59.32 -6.53 3 0 12.10-999 ?-999 ?-999 ? O2 SO4 B 305 mILE^A 168 83.94 57.94 -8.94 83.17 58.36 -8.45 84.22 58.74 -11.25 84.73 58.55 -12.36 83.91 57.56 -10.35 82.61 56.81 -10.75 3 0 15.07-999 ?-999 ?-999 ? O2 SO4 B 305 mALA^A 169 83.95 59.96 -10.78 83.51 59.96 -9.88 84.43 62.41 -10.69 83.88 62.45 -9.58 84.31 61.16 -11.55 83.29 61.39 -12.68 2 0 17.04-999 ?-999 ?-999 ? O2 SO4 B 305 mILE^A 170 85.13 63.41 -11.21 85.50 63.21 -12.12 85.10 65.82 -11.48 85.53 65.75 -12.63 85.33 64.68 -10.52 86.80 64.81 -9.98 3 0 17.72-999 ?-999 ?-999 ? O2 SO4 B 305 mGLY^A 171 84.46 66.87 -11.00 84.12 66.75 -10.06 84.80 69.29 -11.00 84.68 69.35 -9.76 84.25 68.10 -11.76-999.99-999.99-999.99 1 0 21.19-999 ?-999 ?-999 ? O2 SO4 B 305 mARG^A 172 85.37 70.25 -11.73 85.26 70.12 -12.72 85.72 72.71 -11.83 85.78 72.79 -13.06 86.09 71.38 -11.14 87.62 71.14 -11.19 2 0 18.80-999 ?-999 ?-999 ? O3 GOL A 301 mLYS^A 173 85.35 73.73 -11.04 85.41 73.52 -10.07 85.26 76.18 -10.65 85.07 76.09 -9.43 84.89 75.03 -11.56 83.37 75.05 -11.75 2 0 16.98-999 ?-999 ?-999 ? O3 GOL A 301 mGLU^A 174 85.73 77.27 -11.24 85.75 77.21 -12.24 85.22 79.61 -10.65 84.50 79.71 -11.65 86.17 78.43 -10.48 87.59 78.85 -10.89 2 0 14.14-999 ?-999 ?-999 ? O3 GOL A 301 mPHE^A 175 85.23 80.51 -9.68 85.77 80.26 -8.87 85.24 82.85 -9.08 86.15 82.56 -8.29 84.49 81.76 -9.81 83.07 81.63 -9.24 3 0 12.77-999 ?-999 ?-999 ? O3 GOL A 301 mLEU^A 176 84.86 84.10 -9.32 84.12 84.17 -9.99 84.54 85.91 -7.66 83.31 85.82 -7.77 85.47 85.24 -8.67 85.89 86.27 -9.71 3 0 11.10-999 ?-999 ?-999 ? O3 GOL A 301 mTYR^A 177 85.14 86.56 -6.66 86.13 86.43 -6.62 85.28 88.58 -5.39 86.46 88.42 -5.07 84.40 87.39 -5.73 84.02 86.62 -4.47 3 0 9.13-999 ?-999 ?-999 ? O3 GOL A 301 mLYS^A 178 84.69 89.77 -5.49 83.72 89.72 -5.72 85.96 91.15 -3.88 85.41 90.63 -2.92 85.39 91.03 -5.29 84.46 92.22 -5.54 2 0 10.17-999 ?-999 ?-999 ? O3 GOL A 301 mGLN^A 179 87.09 91.85 -3.78 87.51 92.05 -4.67 86.63 92.81 -1.48 85.66 93.47 -1.84 87.66 92.29 -2.51 88.68 93.38 -2.80 2 0 8.97-999 ?-999 ?-999 ? O3 GOL A 301 mPHE^A 180 86.86 92.52 -0.21 87.75 92.09 -0.05 86.28 94.05 1.70 87.44 94.25 2.03 85.91 92.82 0.85 85.73 91.55 1.71 3 0 8.52-999 ?-999 ?-999 ? C3 GOL A 301 mVAL^A 181 85.23 94.85 2.03 84.43 94.46 1.58 85.17 97.38 2.08 84.22 97.65 1.33 85.15 96.10 2.89 86.07 96.22 4.21 3 0 11.52-999 ?-999 ?-999 ? C3 GOL A 301 mMETB 1 88.04 67.41 -21.15 87.38 67.31 -21.89 89.48 66.18 -19.53 88.69 65.45 -18.95 89.04 67.56 -20.03 88.46 68.43 -18.89 2 0 25.24-999 ?-999 ?-999 ? O1 SO4 B 305 mLYS^B 2 90.75 65.84 -19.77 91.30 66.59 -20.15 91.83 64.27 -18.09 92.14 65.22 -17.38 91.28 64.49 -19.51 92.38 64.13 -20.53 2 0 22.86-999 ?-999 ?-999 ? O1 SO4 B 305 mTHR^B 3 91.92 63.01 -17.70 91.41 62.36 -18.26 93.85 61.66 -16.91 93.78 61.00 -17.95 92.72 62.63 -16.53 91.87 62.05 -15.37 2 0 19.19-999 ?-999 ?-999 ? O1 SO4 B 305 mPHE^B 4 94.89 61.61 -16.08 94.80 62.23 -15.30 96.57 60.16 -14.97 96.34 60.73 -13.90 96.04 60.74 -16.29 97.16 61.45 -17.07 3 0 18.10-999 ?-999 ?-999 ? O1 SO4 B 305 mGLU^B 5 97.27 59.04 -15.06 97.44 58.72 -16.00 99.04 58.97 -13.36 99.93 59.35 -14.13 97.74 58.35 -13.89 97.92 56.86 -14.18 2 0 15.29-999 ?-999 ?-999 ? O1 SO4 B 305 mVAL^B 6 99.11 59.05 -12.03 98.28 58.74 -11.58 100.84 58.44 -10.35 100.08 57.72 -9.70 100.27 59.55 -11.28 99.89 60.82 -10.45 3 0 13.94-999 ?-999 ?-999 ? O1 SO4 B 305 mMETB 7 102.17 58.32 -10.30 102.67 58.99 -10.85 103.89 57.74 -8.48 104.69 58.62 -8.75 102.82 57.28 -9.48 103.37 56.11 -10.33 2 0 13.00-999 ?-999 ?-999 ? O1 SO4 B 305 mILE^B 8 103.88 57.08 -7.33 103.13 56.43 -7.26 105.09 55.87 -5.61 104.14 55.14 -5.30 104.85 57.25 -6.26 104.37 58.33 -5.24 3 0 12.21-999 ?-999 ?-999 ? O1 SO4 B 305 mGLN^B 9 106.35 55.50 -5.41 107.02 56.15 -5.76 106.16 54.19 -3.30 106.51 55.04 -2.48 106.69 54.24 -4.75 108.22 54.06 -4.76 2 0 12.72-999 ?-999 ?-999 ? O1 SO4 B 305 mTHR^B 10 105.33 53.21 -3.00 105.07 52.61 -3.76 104.99 51.62 -1.11 105.21 50.68 -1.88 104.85 53.05 -1.63 103.37 53.54 -1.45 2 0 10.04-999 ?-999 ?-999 ? O1 SO4 B 305 mASP^B 11 104.89 51.48 0.21 105.00 52.35 0.69 103.69 49.28 0.19 102.89 49.73 -0.64 104.64 50.21 0.91 103.89 50.53 2.21 2 0 9.96-999 ?-999 ?-999 ? O3 SO4 B 305 mSER^B 12 103.71 48.02 0.57 104.52 47.73 1.07 101.29 47.67 0.92 100.21 47.60 0.32 102.58 47.15 0.26 102.87 45.70 0.68 2 0 9.22-999 ?-999 ?-999 ? O3 SO4 B 305 mLYS^B 13 101.42 48.22 2.12 102.33 48.13 2.51 99.95 50.29 2.27 98.94 50.85 2.69 100.31 48.88 2.81 100.62 48.96 4.32 2 0 6.62-999 ?-999 ?-999 ? O3 SO4 B 305 mGLY^B 14 100.75 50.87 1.37 101.53 50.31 1.10 101.20 53.42 1.47 100.93 54.57 1.15 100.47 52.23 0.82-999.99-999.99-999.99 1 0 5.61-999 ?-999 ?-999 ? O3 SO4 B 305 mTYR^B 15 102.15 53.13 2.36 102.23 52.15 2.55 104.21 54.55 2.21 104.91 53.69 1.68 102.99 54.14 3.01 103.44 53.64 4.38 3 0 8.14-999 ?-999 ?-999 ? O1 SO4 B 305 mLEU^B 16 104.46 55.86 2.13 103.73 56.44 2.48 106.81 56.20 2.60 106.57 56.40 3.80 105.70 56.37 1.56 105.54 57.84 1.20 3 0 10.70-999 ?-999 ?-999 ? O1 SO4 B 305 mASP^B 17 108.00 55.80 2.16 108.03 55.67 1.17 109.48 56.74 4.01 109.54 57.90 3.60 109.14 55.57 3.06 110.41 55.17 2.28 2 0 14.19-999 ?-999 ?-999 ? O1 SO4 B 305 mALA^B 18 109.73 56.38 5.26 109.65 55.40 5.41 110.99 58.50 5.92 110.81 59.63 6.41 110.09 57.31 6.33 110.73 56.55 7.47 2 0 12.83-999 ?-999 ?-999 ? O1 GOL B 302 mLYS^B 19 111.96 58.24 5.04 111.91 57.33 4.63 112.39 60.49 4.12 113.01 61.55 4.18 112.99 59.22 4.70 114.05 58.63 3.76 2 0 14.07-999 ?-999 ?-999 ? O1 GOL B 302 mPHE^B 20 111.17 60.39 3.60 110.75 59.49 3.71 109.69 62.41 3.85 109.05 63.36 3.38 110.53 61.51 2.93 109.72 61.03 1.71 3 0 11.53-999 ?-999 ?-999 ? O1 GOL B 302 mGLY^B 21 109.70 62.15 5.16 110.32 61.42 5.43 109.30 63.10 7.52 108.50 63.42 8.42 108.85 62.93 6.08-999.99-999.99-999.99 1 0 8.44-999 ?-999 ?-999 ? O1 GOL B 302 mGLY^B 22 110.57 62.89 7.80 111.14 62.48 7.09 110.65 62.39 10.29 110.86 62.75 11.44 110.99 63.31 9.13-999.99-999.99-999.99 1 0 9.94-999 ?-999 ?-999 ? C1 GOL B 302 mASN^B 23 110.12 61.21 10.01 109.47 61.18 9.25 111.86 59.64 10.19 112.47 58.66 10.61 110.51 60.06 10.80 109.48 58.95 10.73 2 0 11.53-999 ?-999 ?-999 ? O1 GOL B 302 mALA^B 24 112.30 60.42 9.20 111.74 61.23 9.05 114.75 59.97 9.25 114.92 60.64 10.26 113.49 60.14 8.41 113.69 61.24 7.41 2 0 13.64-999 ?-999 ?-999 ? O1 GOL B 302 mPRO^B 25 115.65 59.09 8.81 115.33 58.43 8.13 117.61 60.54 9.16 117.39 61.17 8.12 117.02 59.13 9.33 117.75 58.13 8.44 3 0 17.24-999 ?-999 ?-999 ? C1 GOL B 302 mLYS^B 26 118.36 61.02 10.16 118.56 60.35 10.87 119.66 62.80 8.94 119.84 63.99 8.65 118.84 62.41 10.18 119.59 62.74 11.48 2 0 17.61-999 ?-999 ?-999 ? C1 GOL B 302 mALA^B 27 120.14 61.80 8.19 119.94 60.89 8.56 120.01 62.65 5.85 120.52 63.30 4.93 120.88 62.05 6.96 121.55 60.76 6.46 2 0 19.70-999 ?-999 ?-999 ? C1 GOL B 302 mPHE^B 28 118.70 62.43 5.94 118.43 61.88 6.73 117.04 64.23 5.43 116.17 64.75 4.74 117.75 62.95 4.95 116.75 61.87 4.57 3 0 16.80-999 ?-999 ?-999 ? C1 GOL B 302 mLEU^B 29 117.41 64.72 6.60 118.05 64.15 7.12 117.92 67.11 6.84 119.08 66.85 6.52 116.90 66.01 7.07 116.48 65.95 8.55 3 0 14.97-999 ?-999 ?-999 ? C1 GOL B 302 mASN^B 30 117.48 68.36 6.99 116.49 68.47 7.10 118.95 69.69 8.38 118.55 69.01 9.32 118.43 69.45 6.98 117.88 70.72 6.33 2 0 16.49-999 ?-999 ?-999 ? C1 GOL B 302 mSER^B 31 119.81 70.68 8.51 119.91 71.28 7.71 119.62 71.26 10.86 119.96 71.08 12.02 120.54 70.86 9.73 121.64 71.90 9.53 2 0 18.69-999 ?-999 ?-999 ? C1 GOL B 302 mASN^B 32 118.44 71.78 10.52 118.30 71.86 9.53 116.42 71.10 11.87 115.48 71.38 12.63 117.44 72.18 11.52 116.70 73.46 11.08 2 0 16.16-999 ?-999 ?-999 ? C1 GOL B 302 mGLY^B 33 116.58 69.89 11.32 117.39 69.81 10.74 114.44 68.66 10.60 113.54 67.85 10.83 115.63 68.79 11.56-999.99-999.99-999.99 1 0 13.82-999 ?-999 ?-999 ? C1 GOL B 302 mLEU^B 34 114.44 69.41 9.50 115.27 69.96 9.36 113.40 68.44 7.39 114.46 68.34 6.76 113.29 69.41 8.58 112.99 70.82 8.07 3 0 11.28-999 ?-999 ?-999 ? C1 GOL B 302 mPRO^B 35 112.29 67.75 7.07 111.50 67.93 7.65 112.09 67.51 4.63 110.98 67.68 4.14 112.24 66.82 5.96 110.97 66.00 6.24 3 0 10.54-999 ?-999 ?-999 ? C1 GOL B 302 mTHR^B 36 113.21 67.89 4.02 114.05 67.68 4.52 113.60 67.64 1.57 113.76 68.10 0.45 113.17 68.55 2.73 113.98 69.86 2.75 2 0 12.60-999 ?-999 ?-999 ? C1 GOL B 302 mTYR^B 37 113.73 66.34 1.84 113.52 66.11 2.79 112.90 64.84 0.04 112.12 64.00 0.53 114.13 65.36 0.81 114.94 64.23 1.48 3 0 14.52-999 ?-999 ?-999 ? O1 GOL B 302 mSER^B 38 112.71 65.34 -1.17 113.46 65.92 -1.49 111.52 63.69 -2.62 112.52 63.32 -3.19 111.49 65.06 -1.92 111.23 66.18 -2.93 2 0 14.11-999 ?-999 ?-999 ? O1 GOL B 302 mPRO^B 39 110.41 62.96 -2.60 109.66 63.41 -2.11 110.24 61.70 -4.76 109.78 62.69 -5.32 110.29 61.64 -3.22 108.92 61.15 -2.73 3 0 15.08-999 ?-999 ?-999 ? O1 GOL B 302 mLYS^B 40 110.67 60.63 -5.43 111.12 59.93 -4.89 108.95 60.46 -7.14 108.25 59.65 -6.53 110.46 60.55 -6.86 111.19 59.34 -7.44 2 0 18.06-999 ?-999 ?-999 ? O1 SO4 B 305 mILE^B 41 108.46 61.31 -8.04 109.14 61.97 -8.37 107.04 61.34 -10.00 107.69 62.19 -10.59 107.07 61.27 -8.48 106.22 62.44 -7.90 3 0 16.45-999 ?-999 ?-999 ? O1 SO4 B 305 mSER^B 42 106.29 60.44 -10.63 105.82 59.79 -10.04 104.76 60.16 -12.53 103.92 59.79 -11.71 106.18 60.45 -12.09 107.15 59.44 -12.72 2 0 17.86-999 ?-999 ?-999 ? O1 SO4 B 305 mTRP^B 43 104.49 60.32 -13.83 105.30 60.53 -14.39 103.18 59.94 -15.85 104.18 60.22 -16.51 103.14 60.22 -14.36 102.37 61.51 -14.10 3 0 17.95-999 ?-999 ?-999 ? O1 SO4 B 305 mGLN^B 44 102.09 59.40 -16.39 101.35 59.20 -15.75 102.10 60.43 -18.62 101.44 61.39 -18.26 102.03 59.13 -17.83 100.81 58.26 -18.25 2 0 20.27-999 ?-999 ?-999 ? O1 SO4 B 305 mLYS^B 45 102.93 60.44 -19.67 103.48 59.60 -19.73 101.66 61.88 -21.20 100.90 60.98 -21.54 103.03 61.54 -20.63 103.96 61.14 -21.78 2 0 23.77-999 ?-999 ?-999 ? O1 SO4 B 305 mVAL^B 46 101.34 63.17 -21.29 102.00 63.81 -20.90 100.28 64.33 -23.25 101.16 65.18 -23.39 100.08 63.56 -21.94 99.02 64.24 -21.01 3 0 24.85-999 ?-999 ?-999 ? O1 SO4 B 305 mGLU^B 47 99.42 64.00 -24.21 98.74 63.32 -23.93 99.25 66.06 -25.51 98.27 66.54 -24.94 99.47 64.56 -25.54 98.42 63.89 -26.41 2 0 28.40-999 ?-999 ?-999 ? O1 SO4 B 305 mGLY^B 48 100.17 66.80 -26.13 100.92 66.26 -26.52 100.66 69.00 -25.03 100.77 70.23 -25.06 100.08 68.25 -26.22-999.99-999.99-999.99 1 0 30.60-999 ?-999 ?-999 ? O1 SO4 B 305 mALA^B 49 101.03 68.27 -23.97 100.87 67.29 -24.07 102.97 69.47 -23.06 103.89 68.73 -23.38 101.60 68.90 -22.78 101.68 67.91 -21.63 2 0 28.25-999 ?-999 ?-999 ? O1 SO4 B 305 mGLN^B 50 103.10 70.79 -22.94 102.23 71.24 -22.75 105.17 71.55 -21.76 106.40 71.72 -21.75 104.39 71.50 -23.07 104.14 72.93 -23.52 2 0 30.61-999 ?-999 ?-999 ? O1 SO4 B 305 mSER^B 51 104.45 71.45 -20.65 103.47 71.38 -20.81 104.01 70.87 -18.35 102.83 70.73 -18.70 105.03 71.45 -19.31 105.43 72.87 -18.87 2 0 27.88-999 ?-999 ?-999 ? O1 GOL B 302 mTYR^B 52 104.48 70.53 -17.15 105.47 70.62 -17.06 103.82 70.89 -14.86 104.81 71.60 -14.76 103.61 70.06 -16.08 103.91 68.61 -15.72 3 0 24.35-999 ?-999 ?-999 ? O1 GOL B 302 mALA^B 53 102.88 70.79 -13.93 102.06 70.29 -14.22 102.43 70.47 -11.59 101.59 69.61 -11.92 103.05 71.38 -12.62 102.45 72.72 -12.57 2 0 21.14-999 ?-999 ?-999 ? O1 GOL B 302 mLEU^B 54 102.85 70.64 -10.35 103.45 71.43 -10.22 102.15 70.54 -8.02 102.73 71.59 -7.78 102.47 69.74 -9.28 103.61 68.76 -9.03 3 0 17.52-999 ?-999 ?-999 ? O1 GOL B 302 mGLU^B 55 101.22 70.03 -7.22 100.68 69.30 -7.64 100.80 69.30 -4.95 100.23 68.29 -5.37 101.01 70.50 -5.87 99.82 71.44 -5.80 2 0 14.33-999 ?-999 ?-999 ? O1 GOL B 302 mLEU^B 56 101.23 69.41 -3.69 101.69 70.27 -3.49 100.43 68.90 -1.46 101.04 69.76 -0.81 101.04 68.33 -2.72 102.37 67.65 -2.41 3 0 10.81-999 ?-999 ?-999 ? O1 GOL B 302 mILE^B 57 99.23 68.42 -1.14 98.92 67.69 -1.75 98.00 67.80 0.98 97.79 66.64 0.60 98.42 68.90 -0.01 97.10 69.49 -0.48 3 0 8.83-999 ?-999 ?-999 ? O1 GOL B 302 mASP^B 58 97.86 68.20 2.24 98.13 69.15 2.40 96.01 67.85 3.80 95.94 68.75 4.61 97.35 67.35 3.28 98.33 67.31 4.44 2 0 -6.33-999 ?-999 ?-999 ? O1 GOL B 302s mHIS^B 59 94.93 67.24 3.32 95.12 66.54 2.63 93.43 67.19 5.25 92.67 67.82 5.97 93.61 67.58 3.79 92.59 66.81 2.99 3 0 8.75-999 ?-999 ?-999 ? O3 GOL B 302 mASP^B 60 94.11 66.13 5.67 94.71 65.71 4.99 94.49 66.68 8.04 94.14 66.60 9.22 93.99 65.64 7.03 94.71 64.30 7.23 2 0 6.83-999 ?-999 ?-999 ? O3 GOL B 302 mALA^B 61 95.28 67.64 7.58 95.55 67.52 6.62 94.54 69.64 8.89 94.61 70.21 9.97 95.70 68.76 8.42 96.78 69.63 7.72 2 0 3.92-999 ?-999 ?-999 ? O3 GOL B 302 mGLN^B 62 93.48 69.73 8.10 93.52 69.19 7.27 91.82 70.36 9.89 91.52 71.31 10.60 92.35 70.58 8.48 91.19 70.47 7.49 2 0 7.19-999 ?-999 ?-999 ? O3 GOL B 302 mLYS^B 63 91.69 69.10 10.28 91.89 68.42 9.57 92.32 69.16 12.68 91.98 69.50 13.82 91.29 68.73 11.63 91.08 67.22 11.69 2 0 7.70-999 ?-999 ?-999 ? O3 GOL B 302 mVAL^B 64 93.59 69.16 12.30 93.75 68.96 11.33 94.74 70.92 13.53 94.81 71.36 14.69 94.64 69.42 13.26 96.00 68.82 12.79 3 0 -5.07-999 ?-999 ?-999 ? O3 GOL B 302s mCYH^B 65 94.72 71.72 12.47 94.51 71.29 11.60 93.93 74.03 12.04 93.93 75.24 12.27 95.00 73.14 12.65 96.37 73.47 12.05 2 0 6.27-999 ?-999 ?-999 ? O3 GOL B 302 mGLY^B 66 93.00 73.45 11.29 93.13 72.47 11.14 91.91 74.43 9.25 90.90 74.82 8.68 91.90 74.24 10.76-999.99-999.99-999.99 1 0 8.96-999 ?-999 ?-999 ? O3 GOL B 302 mMETB 67 93.03 74.14 8.60 93.78 73.83 9.18 93.96 73.13 6.58 94.76 72.57 7.28 93.12 74.27 7.14 93.74 75.61 6.74 2 0 8.79-999 ?-999 ?-999 ? O3 GOL B 302 mPRO^B 68 93.75 72.77 5.30 92.97 73.18 4.83 96.05 72.46 4.59 96.14 73.68 4.53 94.69 71.81 4.70 94.09 71.53 3.31 3 0 7.95-999 ?-999 ?-999 ? O3 GOL B 302 mPHE^B 69 97.10 71.65 4.56 96.87 70.68 4.51 99.13 71.93 3.24 99.04 70.85 2.67 98.47 72.15 4.60 99.21 71.39 5.68 3 0 5.90-999 ?-999 ?-999 ? O2 GOL B 302 mVAL^B 70 99.79 72.96 2.72 99.74 73.80 3.26 101.92 72.31 1.68 102.73 72.97 2.35 100.50 72.83 1.44 100.56 74.17 0.71 3 0 8.52-999 ?-999 ?-999 ? O2 GOL B 302 mHIS^B 71 102.24 71.14 1.14 101.50 70.70 0.62 104.56 70.94 0.20 105.75 71.08 0.44 103.58 70.57 1.31 103.49 69.05 1.49 3 0 -7.91-999 ?-999 ?-999 ? O1 GOL B 302s mTRP^B 72 104.06 71.10 -1.01 103.06 71.07 -1.07 104.14 71.92 -3.26 103.00 71.55 -3.50 104.93 71.31 -2.14 105.55 69.97 -2.56 3 0 11.57-999 ?-999 ?-999 ? O1 GOL B 302 mVAL^B 73 104.74 72.89 -3.94 105.65 73.13 -3.60 105.22 73.66 -6.11 106.29 74.20 -5.83 104.12 73.56 -5.07 103.65 75.00 -4.70 3 0 14.91-999 ?-999 ?-999 ? O1 GOL B 302 mVAL^B 74 104.99 73.14 -7.30 104.09 72.71 -7.41 105.52 73.45 -9.74 104.52 72.88 -10.15 106.04 73.21 -8.31 107.08 72.06 -8.18 3 0 18.06-999 ?-999 ?-999 ? O1 GOL B 302 mGLY^B 75 106.21 74.33 -10.47 106.95 74.79 -9.97 107.12 74.47 -12.76 108.25 74.29 -12.29 105.90 74.60 -11.86-999.99-999.99-999.99 1 0 21.75-999 ?-999 ?-999 ? O1 GOL B 302 mASN^B 76 106.88 74.58 -14.06 105.92 74.74 -14.29 108.64 73.13 -15.10 109.86 73.06 -15.27 107.93 74.49 -15.07 108.95 75.62 -14.89 2 0 25.11-999 ?-999 ?-999 ? O1 GOL B 302 mILE^B 77 107.89 72.07 -14.89 106.94 72.28 -14.63 108.31 70.41 -16.52 107.21 70.42 -17.11 108.39 70.72 -15.02 107.52 69.71 -14.22 3 0 24.30-999 ?-999 ?-999 ? O1 GOL B 302 mALA^B 78 109.46 70.14 -17.14 110.25 70.11 -16.52 109.21 68.45 -18.95 108.70 68.15 -20.04 109.54 69.90 -18.60 110.94 70.26 -19.13 2 0 27.90-999 ?-999 ?-999 ? O1 GOL B 302 mHIS^B 79 109.49 67.56 -18.01 109.82 67.93 -17.14 108.27 65.57 -17.34 107.91 66.18 -16.34 109.31 66.16 -18.27 110.67 65.48 -18.17 3 0 26.34-999 ?-999 ?-999 ? O1 SO4 B 305 mASN^B 80 107.79 64.38 -17.67 108.19 63.99 -18.50 107.30 63.01 -15.64 106.95 61.87 -15.35 106.76 63.73 -16.88 105.99 62.76 -17.77 2 0 22.96-999 ?-999 ?-999 ? O1 SO4 B 305 mVAL^B 81 108.15 63.68 -14.87 108.32 64.63 -15.16 109.53 64.07 -12.92 110.18 64.93 -13.51 108.76 63.04 -13.70 109.74 61.91 -14.13 3 0 21.53-999 ?-999 ?-999 ? O1 SO4 B 305 mLEU^B 82 109.47 63.99 -11.60 108.74 63.40 -11.26 111.30 63.67 -10.08 110.79 62.76 -9.44 110.43 64.70 -10.75 109.71 65.53 -9.69 3 0 20.80-999 ?-999 ?-999 ? O1 GOL B 302 mGLU^B 83 112.60 63.78 -10.26 112.88 64.58 -10.80 113.65 62.98 -8.20 113.47 64.10 -7.68 113.53 62.80 -9.70 114.91 62.90 -10.38 2 0 21.70-999 ?-999 ?-999 ? O1 GOL B 302 mGLU^B 84 113.96 61.89 -7.51 113.96 61.05 -8.05 115.22 63.13 -5.78 116.13 63.42 -6.55 114.25 61.97 -6.09 114.80 60.63 -5.60 2 0 19.53-999 ?-999 ?-999 ? O1 GOL B 302 mASN^B 85 114.98 63.79 -4.65 114.23 63.40 -4.13 115.58 66.18 -5.15 116.36 67.14 -5.06 115.74 64.98 -4.22 117.23 64.67 -3.98 2 0 18.77-999 ?-999 ?-999 ? O1 GOL B 302 mALA^B 86 114.57 66.14 -6.01 114.01 65.31 -5.93 114.19 68.59 -6.34 114.74 69.57 -6.86 114.31 67.19 -6.97 113.06 66.86 -7.79 2 0 19.63-999 ?-999 ?-999 ? O1 GOL B 302 mSER^B 87 113.48 68.69 -5.22 113.10 67.83 -4.88 114.66 70.67 -4.30 114.80 71.87 -4.55 113.31 69.98 -4.57 112.50 69.83 -3.28 2 0 17.46-999 ?-999 ?-999 ? O1 GOL B 302 mMETB 88 115.63 69.90 -3.83 115.35 68.96 -3.65 117.85 70.52 -4.83 118.69 71.42 -4.90 116.99 70.38 -3.58 117.72 69.47 -2.57 2 0 19.49-999 ?-999 ?-999 ? C1 GOL B 302 mMETB 89 117.64 69.65 -5.82 116.78 69.15 -5.76 118.26 69.99 -8.30 119.15 70.31 -9.08 118.62 69.48 -6.91 119.07 68.03 -7.01 2 0 22.78-999 ?-999 ?-999 ? O1 GOL B 302 mASP^B 90 116.97 70.02 -8.62 116.35 69.80 -7.86 116.58 71.86 -10.26 115.91 72.68 -9.61 116.51 70.36 -9.96 115.10 69.82 -10.14 2 0 23.60-999 ?-999 ?-999 ? O1 GOL B 302 mLYS^B 91 117.38 72.22 -11.26 117.77 71.45 -11.77 116.58 74.25 -12.47 116.46 75.48 -12.55 117.64 73.62 -11.56 119.03 73.78 -12.20 2 0 26.20-999 ?-999 ?-999 ? O1 GOL B 302 mARG^B 92 115.82 73.42 -13.16 115.95 72.45 -12.95 113.49 74.30 -13.59 112.83 75.21 -14.10 114.88 73.93 -14.15 114.78 72.99 -15.36 2 0 26.78-999 ?-999 ?-999 ? O1 GOL B 302 mILE^B 93 113.07 73.60 -12.54 113.71 72.91 -12.22 111.76 75.14 -11.09 112.81 75.65 -10.70 111.76 73.86 -11.91 111.35 72.72 -10.93 3 0 23.43-999 ?-999 ?-999 ? O1 GOL B 302 mVAL^B 94 110.55 75.62 -10.83 109.81 75.11 -11.26 109.46 76.29 -8.79 108.62 75.42 -8.96 110.32 76.77 -9.98 109.65 77.90 -10.83 3 0 22.33-999 ?-999 ?-999 ? O1 GOL B 302 mGLN^B 95 109.67 76.82 -7.59 110.33 77.57 -7.56 108.23 77.33 -5.60 108.81 78.36 -5.24 108.96 76.28 -6.43 109.88 75.46 -5.54 2 0 18.70-999 ?-999 ?-999 ? C1 GOL B 302 mGLY^B 96 106.96 77.07 -5.31 106.62 76.23 -5.73 106.38 77.82 -2.95 107.06 76.92 -2.45 106.15 77.93 -4.45-999.99-999.99-999.99 1 0 16.86-999 ?-999 ?-999 ? O2 GOL B 302 mVAL^B 97 105.78 78.74 -2.21 105.23 79.38 -2.75 105.06 77.68 -0.12 103.88 77.53 -0.44 105.90 78.78 -0.76 105.44 80.16 -0.25 3 0 14.41-999 ?-999 ?-999 ? O2 GOL B 302 mASN^B 98 105.64 76.90 0.78 106.61 77.10 0.94 104.25 76.38 2.73 104.43 77.54 3.05 104.89 75.84 1.45 105.76 74.59 1.69 2 0 10.71-999 ?-999 ?-999 ? O2 GOL B 302 mSER^B 99 103.53 75.55 3.46 103.58 74.58 3.20 103.44 76.20 5.90 102.80 76.47 6.92 102.72 76.06 4.56 101.42 75.29 4.68 2 0 8.08-999 ?-999 ?-999 ? O2 GOL B 302 mLEU^B 100 104.75 76.02 5.90 105.13 75.68 5.04 105.81 77.81 7.15 106.05 78.36 8.22 105.55 76.33 7.10 106.88 75.58 7.12 3 0 8.27-999 ?-999 ?-999 ? O2 GOL B 302 mTHR^B 101 105.77 78.45 5.97 105.51 77.88 5.20 105.46 80.74 6.96 104.39 80.45 7.50 106.07 79.88 5.85 105.64 80.46 4.51 2 0 11.82-999 ?-999 ?-999 ? O2 GOL B 302 mGLN^B 102 106.18 81.80 7.31 107.06 81.87 6.85 105.62 84.11 7.53 105.53 85.17 8.15 105.70 82.78 8.26 106.65 82.88 9.46 2 0 13.84-999 ?-999 ?-999 ? O2 GOL B 302 mGLY^B 103 105.65 84.06 6.20 105.68 83.13 5.83 104.30 85.61 4.76 104.23 86.52 3.96 105.64 85.25 5.37-999.99-999.99-999.99 1 0 14.56-999 ?-999 ?-999 ? O1 GOL A 301 mPHE^B 104 103.23 84.91 5.14 103.42 84.16 5.76 101.53 86.70 5.09 102.07 87.19 6.08 101.91 85.27 4.64 100.84 84.25 5.05 3 0 10.76-999 ?-999 ?-999 ? O1 GOL A 301 mILE^B 105 100.65 87.37 4.33 100.37 86.89 3.50 99.48 88.49 6.05 98.73 87.55 6.20 100.17 88.70 4.71 99.11 89.26 3.72 3 0 9.88-999 ?-999 ?-999 ? O1 GOL A 301 mARG^B 106 99.73 89.34 7.03 100.38 90.06 6.81 99.71 88.14 9.20 99.16 87.74 10.21 99.03 89.16 8.31 97.51 88.87 8.16 2 0 10.16-999 ?-999 ?-999 ? C1 GOL A 301 mSER^B 107 100.91 87.74 8.81 101.07 87.77 7.82 102.41 88.54 10.52 102.49 89.62 9.94 101.90 87.30 9.77 103.06 86.62 9.06 2 0 12.63-999 ?-999 ?-999 ? C1 GOL A 301 mPRO^B 108 102.77 88.39 11.81 102.61 87.48 12.20 104.70 90.02 12.05 105.07 91.17 12.32 103.34 89.51 12.57 103.51 88.93 13.98 3 0 15.68-999 ?-999 ?-999 ? O3 GOL C 303 mLEU^B 109 105.44 89.19 11.31 104.99 88.33 11.09 106.82 90.76 9.98 105.89 90.96 9.19 106.79 89.54 10.88 107.44 88.37 10.15 3 0 17.89-999 ?-999 ?-999 ? C1 GOL A 301 mASN^B 110 107.89 91.57 10.08 108.56 91.30 10.76 108.18 92.39 7.76 108.47 91.23 7.44 108.02 92.76 9.23 109.13 93.71 9.72 2 0 19.49-999 ?-999 ?-999 ? C1 GOL A 301 mGLU^B 111 108.02 93.37 6.88 107.95 94.28 7.29 109.16 92.32 4.88 108.99 91.44 4.03 107.96 93.11 5.44 107.76 94.41 4.64 2 0 18.78-999 ?-999 ?-999 ? O1 GOL A 301 mSER^B 112 110.35 92.65 5.36 110.31 93.34 6.08 111.77 90.62 5.39 112.21 89.74 4.63 111.60 92.06 4.88 112.78 92.95 5.29 2 0 21.60-999 ?-999 ?-999 ? O1 GOL A 301 mGLU^B 113 111.43 90.39 6.66 111.18 91.21 7.17 110.48 88.12 6.51 110.77 86.94 6.34 111.44 89.05 7.24 111.09 89.08 8.73 2 0 21.05-999 ?-999 ?-999 ? C1 GOL A 301 mLYS^B 114 109.35 88.65 6.06 109.25 89.63 6.25 108.89 87.31 4.03 108.72 86.13 3.71 108.35 87.86 5.35 107.05 88.66 5.11 2 0 17.47-999 ?-999 ?-999 ? O1 GOL A 301 mGLN^B 115 109.55 88.18 3.29 109.52 89.11 3.66 111.28 86.71 2.27 111.38 85.80 1.45 110.25 87.83 2.06 110.92 89.07 1.48 2 0 19.07-999 ?-999 ?-999 ? O1 GOL A 301 mARG^B 116 112.04 86.78 3.36 111.90 87.60 3.92 112.28 84.42 3.97 112.55 83.43 3.31 112.99 85.72 3.68 113.89 86.08 4.87 2 0 20.73-999 ?-999 ?-999 ? O2 GOL B 302 mSER^B 117 111.38 84.44 4.96 111.32 85.32 5.43 109.93 82.65 4.06 110.06 81.44 3.84 110.56 83.28 5.30 109.47 83.65 6.32 2 0 17.02-999 ?-999 ?-999 ? O2 GOL B 302 mASN^B 118 109.29 83.46 3.22 109.24 84.42 3.49 109.74 82.17 1.14 109.47 81.06 0.67 108.72 82.92 2.00 107.97 83.97 1.19 2 0 16.91-999 ?-999 ?-999 ? O2 GOL B 302 mLEU^B 119 110.92 82.78 0.94 111.01 83.65 1.42 112.57 80.96 0.73 112.75 79.94 0.06 111.97 82.19 0.09 113.06 83.21 -0.23 3 0 18.98-999 ?-999 ?-999 ? O2 GOL B 302 mASN^B 120 112.83 81.05 2.02 112.67 81.95 2.41 112.40 78.70 2.78 112.85 77.59 3.02 113.32 79.91 2.79 113.59 80.32 4.24 2 0 17.26-999 ?-999 ?-999 ? O2 GOL B 302 mASN^B 121 111.12 78.92 2.50 110.90 79.86 2.26 109.56 77.58 1.17 108.49 77.02 1.03 110.13 77.85 2.56 109.03 78.20 3.55 2 0 13.96-999 ?-999 ?-999 ? O2 GOL B 302 mSER^B 122 110.28 78.01 0.14 111.09 78.54 0.40 110.51 76.37 -1.65 111.29 76.30 -2.60 109.89 77.71 -1.23 110.32 78.84 -2.18 2 0 15.96-999 ?-999 ?-999 ? O2 GOL B 302 mVAL^B 123 110.15 75.32 -0.92 109.46 75.52 -0.24 109.69 72.94 -0.65 108.65 73.27 -0.06 110.72 73.99 -1.09 112.00 73.79 -0.22 3 0 14.47-999 ?-999 ?-999 ? C1 GOL B 302 mTYR^B 124 110.00 71.68 -0.93 110.81 71.56 -1.50 109.41 70.43 1.05 110.55 70.38 1.51 109.20 70.57 -0.43 109.65 69.30 -1.11 3 0 11.94-999 ?-999 ?-999 ? C1 GOL B 302 mILE^B 125 108.31 70.37 1.79 107.47 70.63 1.32 107.49 68.69 3.35 106.29 68.70 3.05 108.35 69.96 3.18 107.90 71.09 4.14 3 0 8.63-999 ?-999 ?-999 ? C1 GOL B 302 mGLY^B 126 108.12 67.61 3.83 109.05 67.79 4.13 106.44 66.15 4.98 106.25 67.03 5.83 107.50 66.30 3.91-999.99-999.99-999.99 1 0 7.19-999 ?-999 ?-999 ? O1 GOL B 302 mPRO^B 127 105.71 65.02 4.95 105.95 64.37 4.22 105.23 64.79 7.32 106.28 64.20 7.52 104.65 64.79 5.93 104.19 63.37 5.59 3 0 4.19-999 ?-999 ?-999 ? O1 GOL B 302 mMETB 128 104.57 65.45 8.27 103.83 66.03 7.93 103.66 65.20 10.53 103.40 66.04 11.36 104.92 65.30 9.69 105.76 66.48 10.16 2 0 -3.86-999 ?-999 ?-999 ? C1 GOL B 302s mPRO^B 129 102.85 64.15 10.32 103.21 63.39 9.78 101.52 63.92 12.37 101.99 62.87 12.77 101.52 64.23 10.89 100.76 63.16 10.10 3 0 3.88-999 ?-999 ?-999 ? O1 GOL B 302 mPRO^B 130 100.99 64.83 13.20 100.50 65.60 12.79 100.16 63.69 15.31 100.51 63.07 16.31 101.15 64.61 14.64 101.01 66.02 15.22 3 0 -5.82-999 ?-999 ?-999 ? C3 GOL B 302s mASN^B 131 98.93 63.59 14.78 98.84 64.01 13.88 97.57 61.49 15.11 96.75 60.81 15.74 97.84 62.93 15.50 96.55 63.73 15.33 2 0 7.60-999 ?-999 ?-999 ? O3 GOL B 302 mGLY^B 132 98.26 61.03 14.06 98.92 61.69 13.71 98.56 59.71 12.03 99.01 60.74 11.52 98.07 59.70 13.47-999.99-999.99-999.99 1 0 9.00-999 ?-999 ?-999 ? C3 GOL B 302 mASP^B 133 98.48 58.56 11.36 98.19 57.78 11.91 97.85 59.40 9.17 96.68 59.51 9.52 98.79 58.48 9.93 98.63 57.05 9.41 2 0 8.96-999 ?-999 ?-999 ? O1 GOL B 302 mHIS^B 134 98.37 60.06 8.14 99.35 59.91 8.03 97.74 60.40 5.82 98.72 59.75 5.49 97.60 60.92 7.24 98.17 62.33 7.24 3 0 -7.11-999 ?-999 ?-999 ? O1 GOL B 302s mHIS^B 135 96.74 60.68 5.00 95.91 60.98 5.48 97.24 61.93 3.04 96.87 62.96 3.61 96.80 60.57 3.55 95.41 60.24 2.97 3 0 -6.87-999 ?-999 ?-999 ? O1 SO4 B 305s mTYR^B 136 98.05 61.92 1.98 98.34 61.01 1.69 98.00 63.02 -0.16 97.92 61.93 -0.71 98.48 63.12 1.29 100.01 63.27 1.40 3 0 -8.21-999 ?-999 ?-999 ? O1 GOL B 302s mLEU^B 137 97.64 64.15 -0.75 97.74 64.98 -0.19 98.15 64.86 -3.02 98.52 66.01 -2.77 97.15 64.16 -2.10 95.80 64.87 -2.17 3 0 10.21-999 ?-999 ?-999 ? O1 SO4 B 305 mILE^B 138 98.58 64.14 -4.07 98.28 63.19 -4.06 98.46 65.01 -6.27 97.68 64.15 -6.70 99.40 64.71 -5.13 100.48 63.72 -5.68 3 0 12.45-999 ?-999 ?-999 ? O1 SO4 B 305 mGLN^B 139 98.53 66.24 -6.76 99.15 66.85 -6.27 98.73 67.18 -8.99 99.52 68.10 -8.72 97.77 66.65 -7.93 96.79 67.72 -7.54 2 0 15.09-999 ?-999 ?-999 ? O1 SO4 B 305 mVAL^B 140 98.68 66.57 -10.19 98.01 65.83 -10.25 98.72 67.60 -12.44 97.65 67.10 -12.77 99.55 66.98 -11.30 100.47 65.82 -11.78 3 0 17.82-999 ?-999 ?-999 ? O1 SO4 B 305 mTYR^B 141 99.21 68.70 -13.00 100.10 68.98 -12.62 99.37 69.33 -15.33 100.58 69.50 -15.29 98.54 69.42 -14.07 98.36 70.89 -13.71 3 0 21.23-999 ?-999 ?-999 ? O1 SO4 B 305 mALA^B 142 98.71 69.06 -16.45 97.73 68.89 -16.34 99.04 70.32 -18.43 97.87 70.65 -18.58 99.39 69.04 -17.74 98.96 67.83 -18.56 2 0 23.82-999 ?-999 ?-999 ? O1 SO4 B 305 mLEU^B 143 100.04 71.07 -18.85 100.95 70.66 -18.76 100.09 72.48 -20.87 100.79 71.64 -21.42 99.80 72.39 -19.38 100.61 73.40 -18.60 3 0 26.32-999 ?-999 ?-999 ? O1 GOL A 301 mASP^B 144 99.52 73.49 -21.52 98.96 74.10 -20.94 100.70 74.80 -23.27 100.79 75.24 -24.42 99.72 73.67 -22.96 98.39 73.84 -23.71 2 0 28.79-999 ?-999 ?-999 ? O1 GOL A 301 mILE^B 145 101.43 75.28 -22.26 101.16 74.92 -21.36 103.80 75.79 -21.79 103.76 75.21 -20.71 102.51 76.25 -22.47 102.12 77.69 -22.06 3 0 28.42-999 ?-999 ?-999 ? O1 GOL A 301 mPRO^B 146 104.96 76.01 -22.44 104.91 76.64 -23.22 106.71 75.85 -20.62 107.39 75.10 -19.91 106.18 75.35 -21.96 107.20 75.62 -23.08 3 0 29.90-999 ?-999 ?-999 ? O1 GOL A 301 mLYS^B 147 106.44 77.11 -20.30 105.90 77.60 -20.98 105.92 78.74 -18.50 105.39 79.57 -19.24 106.90 77.70 -19.04 108.31 78.32 -19.20 2 0 27.28-999 ?-999 ?-999 ? O1 GOL A 301 mLEU^B 148 105.69 78.67 -17.19 106.17 77.91 -16.74 105.61 80.84 -16.08 106.81 80.77 -15.86 104.83 79.60 -16.47 104.31 78.93 -15.21 3 0 23.62-999 ?-999 ?-999 ? O1 GOL A 301 mALA^B 149 104.95 81.99 -15.99 103.97 81.92 -16.20 105.65 83.38 -14.08 104.97 84.24 -13.51 105.62 83.23 -15.60 104.95 84.43 -16.26 2 0 22.87-999 ?-999 ?-999 ? O1 GOL A 301 mLEU^B 150 106.44 82.53 -13.42 106.98 81.94 -14.01 107.89 82.61 -11.41 108.80 81.96 -11.88 106.47 82.50 -11.96 105.83 81.21 -11.43 3 0 20.84-999 ?-999 ?-999 ? O1 GOL A 301 mLYS^B 151 108.05 83.45 -10.40 107.23 83.93 -10.11 109.19 83.57 -8.26 108.33 84.28 -7.71 109.36 83.61 -9.78 110.00 84.93 -10.25 2 0 21.63-999 ?-999 ?-999 ? O1 GOL A 301 mALA^B 152 109.97 82.72 -7.59 110.58 82.17 -8.15 110.13 84.06 -5.58 110.93 84.80 -6.14 109.91 82.64 -6.13 110.95 81.66 -5.59 2 0 20.42-999 ?-999 ?-999 ? O1 GOL A 301 mPRO^B 153 109.38 84.46 -4.54 109.65 85.38 -4.27 106.92 83.89 -4.45 106.43 85.00 -4.74 108.31 83.78 -3.81 108.31 84.51 -2.47 3 0 17.98-999 ?-999 ?-999 ? O1 GOL A 301 mPHE^B 154 106.28 82.74 -4.66 106.83 81.93 -4.49 104.10 81.61 -4.40 104.63 80.57 -4.05 104.89 82.71 -5.12 104.79 82.55 -6.64 3 0 15.49-999 ?-999 ?-999 ? O1 GOL A 301 mPHE^B 155 102.81 81.88 -4.23 102.52 82.73 -4.66 101.06 80.14 -4.41 101.04 80.34 -5.63 101.91 81.01 -3.49 101.04 81.87 -2.58 3 0 12.55-999 ?-999 ?-999 ? O1 GOL A 301 mLEU^B 156 100.37 79.17 -3.81 100.51 79.13 -2.82 98.49 78.99 -5.44 98.25 78.57 -6.58 99.48 78.25 -4.53 98.73 77.30 -3.55 3 0 12.41-999 ?-999 ?-999 ? O1 GOL A 301 mGLY^B 157 97.93 80.09 -4.93 98.20 80.29 -4.00 97.61 81.46 -7.00 96.93 81.60 -8.03 96.99 80.90 -5.73-999.99-999.99-999.99 1 0 10.49-999 ?-999 ?-999 ? O1 GOL A 301 mASP^B 158 98.89 81.80 -6.91 99.30 81.66 -6.01 99.83 81.21 -9.07 99.73 81.45 -10.28 99.63 82.33 -8.04 100.96 82.92 -7.58 2 0 13.40-999 ?-999 ?-999 ? O1 GOL A 301 mLEU^B 159 100.10 79.99 -8.59 100.11 79.91 -7.59 99.10 78.76 -10.35 99.20 78.61 -11.58 100.33 78.89 -9.49 100.60 77.59 -8.73 3 0 15.89-999 ?-999 ?-999 ? O1 GOL A 301 mHIS^B 160 97.94 78.86 -9.71 98.02 79.07 -8.74 96.35 79.78 -11.37 95.79 79.52 -12.42 96.68 78.67 -10.39 95.57 78.46 -9.37 3 0 15.01-999 ?-999 ?-999 ? O1 GOL A 301 mASP^B 161 96.72 81.01 -11.02 97.13 81.08 -10.11 97.29 81.94 -13.22 96.75 82.19 -14.28 96.54 82.15 -11.92 96.98 83.47 -11.27 2 0 15.31-999 ?-999 ?-999 ? O1 GOL A 301 mLYS^B 162 98.51 81.45 -13.14 98.83 81.24 -12.21 98.82 80.05 -15.17 99.03 80.04 -16.39 99.30 81.23 -14.33 100.78 81.06 -13.96 2 0 18.71-999 ?-999 ?-999 ? O1 GOL A 301 mMETB 163 98.20 79.08 -14.52 98.06 79.26 -13.55 96.34 77.97 -15.73 95.91 77.13 -16.52 97.75 77.85 -15.18 97.74 76.69 -14.19 2 0 19.82-999 ?-999 ?-999 ? O1 GOL A 301 mARG^B 164 95.61 78.98 -15.28 96.09 79.59 -14.65 94.12 79.24 -17.20 94.83 80.04 -17.81 94.21 79.14 -15.68 93.60 80.36 -15.00 2 0 19.02-999 ?-999 ?-999 ? O1 GOL A 301 mASN^B 165 93.26 78.41 -17.80 92.75 77.86 -17.13 94.19 77.57 -20.01 94.27 77.68 -21.24 93.07 78.30 -19.27 92.86 79.66 -19.98 2 0 22.56-999 ?-999 ?-999 ? O1 GOL A 301 mHIS^B 166 95.05 76.86 -19.30 94.85 76.82 -18.32 96.28 74.72 -19.56 97.11 73.98 -20.05 96.18 76.18 -19.95 97.49 76.91 -19.63 3 0 24.30-999 ?-999 ?-999 ? O1 GOL A 301 mILE^B 167 95.38 74.33 -18.66 94.75 75.05 -18.37 94.65 72.11 -19.20 93.47 72.34 -19.50 95.34 72.97 -18.17 94.54 72.91 -16.85 3 0 23.93-999 ?-999 ?-999 ? O1 GOL A 301 mILE^B 168 95.36 71.12 -19.73 96.32 71.10 -19.47 94.38 68.84 -20.00 93.64 68.04 -20.57 94.71 70.17 -20.64 95.49 69.93 -21.98 3 0 26.45-999 ?-999 ?-999 ? O1 SO4 B 305 mALA^B 169 94.94 68.60 -18.81 95.58 69.30 -18.51 95.08 67.45 -16.57 96.03 68.15 -16.25 94.61 67.39 -18.03 95.18 66.13 -18.72 2 0 22.72-999 ?-999 ?-999 ? O1 SO4 B 305 mILE^B 170 94.42 66.69 -15.69 93.65 66.19 -16.10 94.95 65.16 -13.81 94.16 64.29 -14.19 94.79 66.61 -14.28 93.77 67.38 -13.40 3 0 19.24-999 ?-999 ?-999 ? O1 SO4 B 305 mGLY^B 171 95.99 64.89 -13.02 96.60 65.67 -12.86 96.23 63.67 -10.91 96.70 64.66 -10.35 96.21 63.59 -12.42-999.99-999.99-999.99 1 0 15.97-999 ?-999 ?-999 ? O1 SO4 B 305 mARG^B 172 95.75 62.63 -10.24 95.48 61.87 -10.83 96.16 61.32 -8.22 95.89 60.26 -8.75 95.62 62.62 -8.79 94.15 62.76 -8.38 2 0 12.46-999 ?-999 ?-999 ? O1 SO4 B 305 mLYS^B 173 96.92 61.41 -7.13 97.12 62.34 -6.84 97.54 60.48 -4.92 98.05 61.54 -4.49 97.40 60.22 -6.42 98.73 59.77 -7.02 2 0 9.37-999 ?-999 ?-999 ? O1 SO4 B 305 mGLU^B 174 97.10 59.52 -4.11 96.69 58.74 -4.57 98.32 58.70 -2.13 98.65 57.71 -2.78 97.24 59.63 -2.66 95.92 59.33 -1.96 2 0 6.43-999 ?-999 ?-999 ? O1 SO4 B 305 mPHE^B 175 98.89 59.04 -0.98 98.66 59.95 -0.65 99.60 58.32 1.23 99.01 59.32 1.66 99.77 58.12 -0.26 101.24 58.27 -0.69 3 0 5.89-999 ?-999 ?-999 ? O1 SO4 B 305 mLEU^B 176 100.10 57.36 2.00 100.49 56.60 1.49 101.48 57.72 3.95 102.50 57.39 3.31 100.08 57.39 3.44 99.72 56.01 3.99 3 0 -6.29-999 ?-999 ?-999 ? O1 SO4 B 305s mTYR^B 177 101.53 58.33 5.14 100.65 58.67 5.46 102.47 58.29 7.37 101.46 58.79 7.86 102.77 58.48 5.88 103.42 59.85 5.59 3 0 8.63-999 ?-999 ?-999 ? O1 GOL B 302 mLYS^B 178 103.32 57.54 8.07 104.12 57.25 7.54 103.09 58.42 10.35 103.84 59.36 10.10 103.09 57.19 9.48 104.18 56.25 10.02 2 0 9.82-999 ?-999 ?-999 ? O1 GOL B 302 mGLN^B 179 102.24 58.41 11.37 101.54 57.69 11.32 103.77 59.62 12.87 104.57 58.68 13.02 102.32 59.36 12.46 101.59 58.83 13.66 2 0 8.70-999 ?-999 ?-999 ? O1 GOL B 302 mPHE^B 180 104.09 60.89 13.07 103.34 61.52 12.89 105.37 61.50 15.03 104.52 62.24 15.53 105.40 61.32 13.51 105.72 62.63 12.77 3 0 8.67-999 ?-999 ?-999 ? C1 GOL B 302 mVAL^B 181 106.24 60.81 15.78 106.75 60.11 15.27 107.86 61.53 17.55 108.76 61.35 16.71 106.42 61.11 17.23 105.98 59.94 18.24 3 0 11.61-999 ?-999 ?-999 ? C1 GOL B 302 mARG^B 182 108.06 62.08 18.74 107.22 62.36 19.21 109.63 61.44 20.56 108.88 60.48 20.82 109.41 62.26 19.30 109.74 63.73 19.55 2 0 13.94-999 ?-999 ?-999 ? C1 GOL B 302 mMETC 1 110.00 82.40 59.29 110.14 81.73 60.01 108.32 83.80 58.04 107.42 82.94 58.10 109.79 83.42 58.20 110.34 82.94 56.85 2 0 27.40-999 ?-999 ?-999 ? O3 GOL D 304 mLYS^C 2 108.08 85.09 57.82 108.89 85.64 57.62 106.06 85.82 56.50 106.68 85.66 55.45 106.72 85.62 57.86 106.67 86.90 58.71 2 0 28.95-999 ?-999 ?-999 ? O3 GOL D 304 mTHR^C 3 104.77 86.10 56.56 104.37 86.06 57.48 103.32 87.77 55.63 103.36 88.30 56.74 104.02 86.44 55.38 103.00 85.35 55.00 2 0 27.83-999 ?-999 ?-999 ? O1 GOL C 303 mPHE^C 4 102.70 88.30 54.59 102.79 87.77 53.75 100.90 89.55 53.59 100.94 88.74 52.66 101.97 89.55 54.67 102.91 90.75 54.50 3 0 27.48-999 ?-999 ?-999 ? O2 GOL C 303 mGLU^C 5 99.94 90.46 53.72 100.00 91.05 54.52 99.28 91.40 51.56 100.12 92.31 51.67 98.88 90.52 52.74 97.53 90.91 53.36 2 0 25.70-999 ?-999 ?-999 ? O1 GOL C 303 mVAL^C 6 98.68 91.06 50.42 98.06 90.29 50.52 97.53 92.06 48.58 96.57 91.29 48.74 98.91 91.74 49.16 99.75 90.83 48.24 3 0 22.81-999 ?-999 ?-999 ? O2 GOL C 303 mMETC 7 97.41 93.23 47.95 98.26 93.73 47.85 96.14 94.12 46.01 97.15 94.61 45.49 96.12 93.71 47.47 95.56 94.85 48.33 2 0 22.34-999 ?-999 ?-999 ? O2 GOL C 303 mILE^C 8 95.01 93.88 45.36 94.33 93.38 45.90 93.25 94.50 43.94 92.47 93.71 44.47 94.74 94.29 44.01 95.19 93.23 42.97 3 0 20.02-999 ?-999 ?-999 ? O2 GOL C 303 mGLN^C 9 92.85 95.60 43.32 93.59 96.14 42.90 90.75 95.06 42.26 91.19 94.91 41.11 91.47 95.97 43.25 91.38 97.42 42.82 2 0 21.37-999 ?-999 ?-999 ? O2 GOL C 303 mTHR^C 10 89.66 94.43 42.70 89.44 94.59 43.66 87.37 93.78 41.99 86.95 94.57 42.83 88.88 93.57 41.82 89.17 92.11 42.08 2 0 19.81-999 ?-999 ?-999 ? O1 GOL C 303 mASP^C 11 86.58 93.09 41.15 87.10 92.71 40.39 84.75 92.50 42.71 85.58 91.99 43.45 85.14 92.89 41.31 84.73 91.68 40.47 2 0 20.82-999 ?-999 ?-999 ? O1 GOL C 303 mSER^C 12 83.46 92.66 43.04 82.96 93.29 42.46 83.21 90.46 44.05 83.50 89.79 45.05 82.87 91.94 44.18 81.33 92.07 44.21 2 0 23.33-999 ?-999 ?-999 ? O1 GOL C 303 mLYS^C 13 83.16 89.96 42.81 82.95 90.64 42.11 84.89 88.15 42.42 85.19 86.99 42.22 83.41 88.54 42.49 82.75 88.14 41.16 2 0 20.36-999 ?-999 ?-999 ? O1 GOL C 303 mGLY^C 14 85.81 89.12 42.53 85.43 90.03 42.67 87.87 88.93 41.07 88.98 88.45 40.86 87.24 88.82 42.46-999.99-999.99-999.99 1 0 18.24-999 ?-999 ?-999 ? O1 GOL C 303 mTYR^C 15 87.17 89.57 40.13 86.28 89.88 40.45 88.39 91.14 38.59 87.83 92.20 38.91 87.68 89.80 38.77 86.55 89.70 37.72 3 0 16.09-999 ?-999 ?-999 ? O1 GOL C 303 mLEU^C 16 89.61 91.07 38.06 89.99 90.14 38.03 89.61 92.78 36.35 89.06 92.02 35.56 90.34 92.23 37.58 91.75 91.80 37.20 3 0 15.81-999 ?-999 ?-999 ? O2 GOL C 303 mASP^C 17 89.62 94.11 36.18 90.18 94.61 36.84 89.42 94.37 33.73 90.63 94.15 33.58 88.86 94.73 35.09 88.80 96.26 35.25 2 0 17.08-999 ?-999 ?-999 ? O2 GOL C 303 mALA^C 18 88.53 94.35 32.75 87.61 94.62 33.04 90.14 94.59 30.89 90.90 93.95 30.15 88.83 93.97 31.38 87.69 94.39 30.47 2 0 15.34-999 ?-999 ?-999 ? C2 GOL C 303 mLYS^C 19 90.39 95.82 31.32 89.81 96.13 32.07 92.85 96.10 30.98 93.80 96.50 30.31 91.44 96.63 30.71 91.30 98.10 31.14 2 0 16.06-999 ?-999 ?-999 ? O2 GOL C 303 mPHE^C 20 92.98 95.17 31.92 92.11 94.87 32.33 94.65 93.34 31.64 95.70 92.75 31.91 94.28 94.66 32.33 94.35 94.50 33.85 3 0 13.54-999 ?-999 ?-999 ? O2 GOL C 303 mGLY^C 21 93.78 92.89 30.74 92.98 93.47 30.61 93.38 91.68 28.62 92.91 92.74 28.15 94.00 91.66 30.00-999.99-999.99-999.99 1 0 10.42-999 ?-999 ?-999 ? O2 GOL C 303 mGLY^C 22 93.34 90.51 27.97 93.62 89.74 28.55 91.58 90.94 26.20 91.28 91.19 25.02 92.94 90.37 26.56-999.99-999.99-999.99 1 0 9.58-999 ?-999 ?-999 ? C3 GOL C 303 mASN^C 23 90.73 91.15 27.20 91.06 90.90 28.11 89.40 93.23 26.96 88.35 93.82 26.82 89.43 91.71 26.90 88.35 91.09 27.77 2 0 12.69-999 ?-999 ?-999 ? C3 GOL C 303 mALA^C 24 90.55 93.87 27.17 91.35 93.28 27.27 89.96 95.97 26.01 90.01 95.38 24.93 90.58 95.33 27.25 92.00 95.82 27.42 2 0 15.11-999 ?-999 ?-999 ? C3 GOL C 303 mPRO^C 25 89.36 97.16 26.16 89.11 97.41 27.10 90.40 98.18 24.20 91.49 98.19 24.80 89.11 98.01 24.99 88.69 99.34 25.61 3 0 18.18-999 ?-999 ?-999 ? C3 GOL C 303 mLYS^C 26 90.31 98.31 22.88 89.38 98.36 22.51 92.51 99.46 22.51 93.73 99.33 22.38 91.54 98.36 22.07 91.25 98.39 20.55 2 0 17.83-999 ?-999 ?-999 ? O3 GOL C 303 mALA^C 27 91.96 100.53 23.09 90.97 100.46 23.18 93.74 101.32 24.68 94.76 102.01 24.85 92.74 101.68 23.56 91.82 102.81 23.98 2 0 20.24-999 ?-999 ?-999 ? O3 GOL C 303 mPHE^C 28 93.43 100.25 25.41 92.52 99.87 25.22 95.20 98.50 25.90 95.92 97.89 26.69 94.36 99.69 26.40 93.62 99.29 27.67 3 0 17.77-999 ?-999 ?-999 ? O3 GOL C 303 mLEU^C 29 95.11 98.15 24.62 94.39 98.62 24.10 97.10 97.84 23.26 96.86 98.88 22.67 96.02 97.14 24.06 95.28 96.15 23.17 3 0 15.02-999 ?-999 ?-999 ? O3 GOL C 303 mASN^C 30 98.30 97.27 23.22 98.37 96.41 23.73 99.21 97.84 20.92 98.10 97.54 20.45 99.40 97.88 22.46 100.74 97.29 22.90 2 0 15.78-999 ?-999 ?-999 ? O3 GOL C 303 mSER^C 31 100.26 98.13 20.15 101.10 98.35 20.65 99.69 96.74 18.19 98.69 96.65 17.44 100.17 98.10 18.67 101.51 98.39 17.97 2 0 17.24-999 ?-999 ?-999 ? O3 GOL C 303 mASN^C 32 100.39 95.69 18.62 101.12 95.92 19.27 98.97 93.68 18.94 98.89 92.47 19.00 100.11 94.32 18.17 101.34 93.38 18.24 2 0 14.16-999 ?-999 ?-999 ? O3 GOL C 303 mGLY^C 33 98.10 94.49 19.55 98.37 95.46 19.51 97.00 93.24 21.52 96.07 92.52 21.91 96.88 93.99 20.20-999.99-999.99-999.99 1 0 12.94-999 ?-999 ?-999 ? O3 GOL C 303 mLEU^C 34 98.11 93.42 22.23 98.74 94.07 21.81 98.13 93.59 24.75 98.39 94.80 24.74 98.39 92.73 23.50 99.85 92.26 23.51 3 0 10.52-999 ?-999 ?-999 ? O3 GOL C 303 mPRO^C 35 97.64 92.96 25.85 97.50 91.97 25.76 98.61 94.03 27.89 99.07 93.18 28.67 97.36 93.72 27.07 96.40 92.81 27.84 3 0 11.38-999 ?-999 ?-999 ? O2 GOL C 303 mTHR^C 36 99.14 95.24 27.75 98.61 95.85 27.15 100.18 96.67 29.48 101.12 97.35 29.88 100.39 95.61 28.41 101.44 96.14 27.41 2 0 13.25-999 ?-999 ?-999 ? O2 GOL C 303 mTYR^C 37 98.95 96.83 29.94 98.28 96.17 29.59 98.46 97.27 32.30 97.42 96.68 32.59 98.64 97.88 30.91 97.41 98.68 30.44 3 0 15.62-999 ?-999 ?-999 ? O2 GOL C 303 mSER^C 38 99.48 97.41 33.15 100.18 98.05 32.83 98.71 97.27 35.53 98.61 98.48 35.65 99.58 96.69 34.40 101.04 96.65 34.85 2 0 15.48-999 ?-999 ?-999 ? O2 GOL C 303 mPRO^C 39 98.11 96.40 36.36 98.27 95.44 36.14 98.14 97.28 38.69 99.22 96.74 38.92 97.29 96.85 37.48 96.49 95.60 37.85 3 0 17.10-999 ?-999 ?-999 ? O2 GOL C 303 mLYS^C 40 97.64 98.24 39.46 96.81 98.68 39.12 98.17 97.40 41.62 97.10 96.79 41.75 98.29 98.58 40.69 97.67 99.82 41.31 2 0 20.31-999 ?-999 ?-999 ? O2 GOL C 303 mILE^C 41 99.28 97.09 42.28 100.07 97.65 42.02 100.06 96.67 44.45 101.05 97.39 44.29 99.35 96.04 43.26 100.10 94.80 42.70 3 0 20.19-999 ?-999 ?-999 ? O2 GOL C 303 mSER^C 42 99.53 96.44 45.64 98.67 95.93 45.63 100.17 95.86 47.95 99.49 94.84 47.85 100.18 96.92 46.85 99.57 98.25 47.33 2 0 23.54-999 ?-999 ?-999 ? O2 GOL C 303 mTRP^C 43 100.93 96.11 48.99 101.38 97.01 48.98 101.50 95.89 51.30 101.95 97.04 51.22 101.08 95.15 50.06 102.12 94.11 49.66 3 0 25.28-999 ?-999 ?-999 ? O2 GOL C 303 mGLN^C 44 101.34 95.27 52.47 100.91 94.37 52.43 103.33 95.98 53.72 103.99 95.09 53.19 101.81 95.94 53.69 101.21 95.34 54.96 2 0 28.89-999 ?-999 ?-999 ? O2 GOL C 303 mLYS^C 45 103.87 97.06 54.27 103.21 97.75 54.56 105.79 96.15 55.42 105.02 95.68 56.26 105.32 97.21 54.44 105.70 98.64 54.88 2 0 30.72-999 ?-999 ?-999 ? O2 GOL C 303 mVAL^C 46 107.05 95.73 55.29 107.56 96.14 54.54 108.88 95.18 56.88 109.86 95.60 56.21 107.58 94.75 56.21 107.60 93.26 55.63 3 0 31.75-999 ?-999 ?-999 ? O2 GOL C 303 mGLU^C 47 108.83 95.13 58.21 107.94 94.84 58.56 111.23 94.89 58.51 111.35 93.65 58.37 109.94 95.46 59.08 109.65 94.88 60.48 2 0 35.25-999 ?-999 ?-999 ? O2 GOL C 303 mGLY^C 48 112.17 95.77 58.15 111.89 96.72 58.23 113.61 95.18 56.17 114.70 94.90 55.66 113.48 95.34 57.68-999.99-999.99-999.99 1 0 34.17-999 ?-999 ?-999 ? O3 GOL D 304 mALA^C 49 112.50 95.38 55.46 111.70 95.62 55.99 113.24 96.42 53.33 112.96 97.58 53.60 112.51 95.25 54.00 111.09 95.13 53.47 2 0 31.77-999 ?-999 ?-999 ? O1 GOL D 304 mGLN^C 50 114.18 96.13 52.45 114.37 95.15 52.31 114.55 97.31 50.28 114.91 98.28 49.63 114.87 97.21 51.77 116.36 97.09 52.00 2 0 31.69-999 ?-999 ?-999 ? O1 GOL D 304 mSER^C 51 113.92 96.27 49.75 113.88 95.47 50.36 112.28 95.19 48.37 112.12 94.43 49.33 113.33 96.29 48.43 114.38 96.11 47.33 2 0 28.47-999 ?-999 ?-999 ? O2 GOL C 303 mTYR^C 52 111.54 95.13 47.28 111.70 95.87 46.62 110.75 93.54 45.63 111.27 94.25 44.76 110.59 94.07 47.06 109.16 94.56 47.28 3 0 25.06-999 ?-999 ?-999 ? O2 GOL C 303 mALA^C 53 110.31 92.29 45.43 110.05 91.81 46.26 108.84 91.07 43.93 108.16 90.81 44.92 110.22 91.70 44.10 111.33 90.70 43.87 2 0 21.63-999 ?-999 ?-999 ? O2 GOL C 303 mLEU^C 54 108.42 90.89 42.68 109.10 91.12 41.99 107.09 89.43 41.19 107.90 89.56 40.28 107.07 90.40 42.37 106.13 91.56 42.07 3 0 18.19-999 ?-999 ?-999 ? O2 GOL C 303 mGLU^C 55 106.22 88.43 41.25 105.75 88.35 42.13 104.46 87.32 39.98 103.74 87.23 40.99 105.97 87.56 40.10 106.76 86.25 40.22 2 0 14.78-999 ?-999 ?-999 ? O2 GOL C 303 mLEU^C 56 103.99 87.27 38.74 104.68 87.40 38.03 102.55 85.83 37.53 103.06 85.85 36.40 102.59 87.04 38.43 101.98 88.29 37.78 3 0 11.78-999 ?-999 ?-999 ? O2 GOL C 303 mILE^C 57 101.96 84.75 38.03 101.48 84.91 38.89 100.62 82.87 37.20 99.78 83.01 38.08 102.01 83.45 37.36 102.92 82.47 38.14 3 0 9.70-999 ?-999 ?-999 ? O2 GOL C 303 mASP^C 58 100.39 82.21 36.06 101.15 82.20 35.42 99.26 80.03 35.90 99.72 79.37 34.98 99.13 81.55 35.81 98.59 81.97 34.44 2 0 7.13-999 ?-999 ?-999 ? O1 GOL C 303 mHIS^C 59 98.85 79.48 37.03 98.54 80.14 37.71 97.84 77.33 36.34 98.11 76.23 35.86 98.84 78.03 37.24 98.50 77.71 38.69 3 0 8.56-999 ?-999 ?-999 ? O1 GOL C 303 mASP^C 60 96.71 77.99 36.10 96.62 78.88 36.56 96.18 77.31 33.78 95.52 76.72 32.94 95.68 77.45 35.22 94.40 78.28 35.29 2 0 6.58-999 ?-999 ?-999 ? O1 GOL C 303 mALA^C 61 97.36 77.84 33.48 97.82 78.33 34.23 98.49 76.31 31.88 98.66 75.90 30.72 97.92 77.70 32.14 98.94 78.77 31.87 2 0 4.05-999 ?-999 ?-999 ? O1 GOL C 303 mGLN^C 62 98.77 75.55 32.94 98.54 75.96 33.82 98.49 73.31 31.89 98.97 72.66 30.99 99.36 74.22 32.74 99.75 73.53 34.05 2 0 7.49-999 ?-999 ?-999 ? O1 GOL C 303 mLYS^C 63 97.19 73.29 32.20 96.97 73.86 32.99 96.23 72.83 29.97 96.07 71.94 29.13 96.20 72.52 31.46 94.84 72.85 32.03 2 0 8.02-999 ?-999 ?-999 ? O1 GOL C 303 mVAL^C 64 96.44 74.10 29.65 96.69 74.68 30.43 97.57 74.31 27.46 97.47 73.91 26.30 96.32 74.61 28.29 96.03 76.15 28.29 3 0 5.72-999 ?-999 ?-999 ? O1 GOL C 303 mCYH^C 65 98.75 74.47 28.03 98.74 74.63 29.02 101.08 73.60 27.84 102.15 73.46 27.26 99.96 74.41 27.21 100.43 75.82 26.85 2 0 6.55-999 ?-999 ?-999 ? C1 GOL C 303 mGLY^C 66 100.82 73.03 29.01 99.97 73.33 29.44 102.52 72.62 30.73 103.03 71.88 31.56 101.72 72.06 29.60-999.99-999.99-999.99 1 0 9.44-999 ?-999 ?-999 ? C1 GOL C 303 mMETC 67 102.64 73.94 30.78 102.19 74.44 30.03 102.65 75.80 32.36 101.80 76.29 31.66 103.39 74.58 31.86 104.78 74.96 31.36 2 0 9.04-999 ?-999 ?-999 ? C1 GOL C 303 mPRO^C 68 102.98 76.28 33.58 103.64 75.72 34.10 103.00 78.71 33.37 104.19 78.67 33.06 102.39 77.53 34.09 102.81 77.58 35.56 3 0 8.05-999 ?-999 ?-999 ? O1 GOL C 303 mPHE^C 69 102.21 79.74 33.11 101.29 79.64 33.49 103.09 82.07 33.22 102.38 82.48 34.13 102.64 80.90 32.33 101.50 81.36 31.42 3 0 -5.88-999 ?-999 ?-999 ? O2 GOL C 303s mVAL^C 70 104.29 82.58 32.94 104.77 82.07 32.22 104.33 85.08 32.98 104.66 85.39 31.84 104.84 83.77 33.60 106.40 83.74 33.57 3 0 8.24-999 ?-999 ?-999 ? O2 GOL C 303 mHIS^C 71 103.56 85.83 33.75 103.43 85.46 34.67 103.74 88.38 33.59 103.63 89.37 32.86 102.96 87.09 33.27 101.54 87.23 33.81 3 0 8.02-999 ?-999 ?-999 ? O2 GOL C 303 mTRP^C 72 104.50 88.38 34.68 104.52 87.51 35.17 106.24 89.18 36.13 105.95 88.46 37.08 105.22 89.56 35.08 104.24 90.60 35.65 3 0 11.80-999 ?-999 ?-999 ? O2 GOL C 303 mVAL^C 73 107.46 89.68 35.97 107.59 90.18 35.11 109.20 90.86 37.17 109.68 91.46 36.22 108.49 89.51 36.98 109.43 88.31 36.62 3 0 14.88-999 ?-999 ?-999 ? O2 GOL C 303 mVAL^C 74 109.20 91.34 38.41 108.80 90.72 39.08 110.71 92.61 39.91 110.40 92.07 40.98 109.73 92.66 38.74 108.60 93.66 39.12 3 0 18.30-999 ?-999 ?-999 ? O2 GOL C 303 mGLY^C 75 111.89 93.18 39.72 112.08 93.43 38.77 113.06 94.88 41.16 112.62 95.78 40.42 112.82 93.40 40.83-999.99-999.99-999.99 1 0 21.84-999 ?-999 ?-999 ? O2 GOL C 303 mASN^C 76 113.78 95.11 42.25 114.08 94.27 42.71 112.88 97.36 42.85 112.82 98.43 42.27 114.11 96.46 42.72 115.17 97.12 41.84 2 0 25.33-999 ?-999 ?-999 ? O2 GOL C 303 mILE^C 77 111.89 96.89 43.61 112.01 95.94 43.89 111.08 98.38 45.34 111.20 97.70 46.37 110.74 97.70 43.99 109.45 96.83 44.08 3 0 24.97-999 ?-999 ?-999 ? O2 GOL C 303 mALA^C 78 111.26 99.70 45.33 111.08 100.14 44.45 110.55 100.58 47.57 110.82 100.66 48.78 111.68 100.42 46.54 112.30 101.77 46.18 2 0 28.70-999 ?-999 ?-999 ? O2 GOL C 303 mHIS^C 79 109.31 100.61 47.11 109.23 100.48 46.12 107.14 99.71 47.94 107.11 98.94 46.97 108.19 100.82 48.01 107.56 102.19 47.73 3 0 28.55-999 ?-999 ?-999 ? O2 GOL C 303 mASN^C 80 106.28 99.65 48.96 106.40 100.40 49.62 104.08 98.75 48.12 102.93 98.38 48.42 105.27 98.61 49.09 104.78 98.53 50.54 2 0 27.12-999 ?-999 ?-999 ? O2 GOL C 303 mVAL^C 81 104.37 99.29 46.94 105.33 99.55 46.83 104.02 99.48 44.54 105.18 99.86 44.38 103.37 99.48 45.92 102.55 100.79 46.17 3 0 24.93-999 ?-999 ?-999 ? O2 GOL C 303 mLEU^C 82 103.25 99.00 43.56 102.48 98.46 43.90 102.27 99.90 41.57 101.16 99.35 41.58 103.50 99.21 42.14 103.77 97.90 41.41 3 0 22.24-999 ?-999 ?-999 ? O2 GOL C 303 mGLU^C 83 102.47 101.12 41.10 103.44 101.37 41.04 100.79 101.51 39.39 101.47 100.84 38.61 101.39 102.01 40.70 101.97 103.42 40.57 2 0 23.28-999 ?-999 ?-999 ? O2 GOL C 303 mGLU^C 84 99.52 101.81 39.15 99.06 102.32 39.88 99.71 101.82 36.70 100.29 102.91 36.66 98.86 101.41 37.91 97.47 102.02 37.84 2 0 21.23-999 ?-999 ?-999 ? O2 GOL C 303 mASN^C 85 99.80 100.93 35.72 99.24 100.12 35.88 102.15 101.19 34.81 102.90 101.72 34.01 100.64 101.14 34.54 100.18 102.37 33.74 2 0 19.77-999 ?-999 ?-999 ? O2 GOL C 303 mALA^C 86 102.59 100.63 35.93 101.87 100.25 36.50 104.92 99.90 35.24 106.09 100.25 35.11 104.02 100.58 36.28 104.22 99.92 37.63 2 0 20.49-999 ?-999 ?-999 ? O2 GOL C 303 mSER^C 87 104.41 98.91 34.52 103.44 98.70 34.66 105.73 99.17 32.51 106.88 99.14 32.07 105.28 98.21 33.60 104.59 96.98 33.01 2 0 17.86-999 ?-999 ?-999 ? O2 GOL C 303 mMETC 88 104.83 100.04 32.09 103.95 99.99 32.56 105.89 102.22 31.54 106.85 102.67 30.92 105.14 100.98 31.02 103.85 101.37 30.28 2 0 19.79-999 ?-999 ?-999 ? O2 GOL C 303 mMETC 89 105.48 102.73 32.70 104.79 102.17 33.17 107.12 103.98 34.26 107.97 104.88 34.26 106.00 104.00 33.21 104.85 104.83 33.76 2 0 23.25-999 ?-999 ?-999 ? O2 GOL C 303 mASP^C 90 107.12 103.00 35.15 106.41 102.30 35.02 109.49 102.63 35.71 109.75 101.52 35.23 108.09 102.97 36.23 107.63 102.00 37.31 2 0 23.91-999 ?-999 ?-999 ? O2 GOL C 303 mLYS^C 91 110.39 103.61 35.79 110.06 104.43 36.25 112.76 103.01 36.27 113.93 102.79 35.94 111.75 103.45 35.24 112.23 104.74 34.54 2 0 25.68-999 ?-999 ?-999 ? O2 GOL C 303 mARG^C 92 112.33 102.87 37.52 111.36 103.07 37.65 113.23 100.95 38.78 114.21 100.40 39.26 113.23 102.46 38.58 112.90 103.19 39.88 2 0 26.78-999 ?-999 ?-999 ? O2 GOL C 303 mILE^C 93 112.15 100.28 38.40 111.41 100.83 38.03 112.86 98.15 37.40 113.01 98.73 36.31 112.12 98.83 38.55 110.69 98.29 38.71 3 0 23.53-999 ?-999 ?-999 ? O2 GOL C 303 mVAL^C 94 113.39 96.95 37.65 113.44 96.72 38.62 112.76 95.02 36.31 112.13 94.53 37.26 113.84 96.07 36.56 115.20 95.38 36.84 3 0 21.99-999 ?-999 ?-999 ? O2 GOL C 303 mGLN^C 95 112.55 94.71 35.04 113.17 95.18 34.41 112.09 92.60 33.86 113.00 92.77 33.07 111.50 93.78 34.61 110.49 94.50 33.74 2 0 18.23-999 ?-999 ?-999 ? O2 GOL C 303 mGLY^C 96 111.56 91.42 34.13 110.78 91.45 34.76 111.26 89.70 32.37 110.15 90.17 32.11 112.07 90.19 33.55-999.99-999.99-999.99 1 0 16.34-999 ?-999 ?-999 ? O2 GOL C 303 mVAL^C 97 111.82 88.73 31.66 112.72 88.45 32.01 109.91 87.39 30.84 109.91 86.57 31.78 111.20 88.13 30.48 112.17 87.16 29.80 3 0 13.93-999 ?-999 ?-999 ? O2 GOL C 303 mASN^C 98 108.82 87.69 30.12 108.96 88.41 29.44 107.40 85.80 29.41 108.22 85.60 28.51 107.55 87.02 30.33 106.35 87.99 30.24 2 0 10.19-999 ?-999 ?-999 ? O2 GOL C 303 mSER^C 99 106.38 84.98 29.61 105.71 85.28 30.30 105.92 83.87 27.36 105.87 82.86 26.68 106.31 83.74 28.85 105.47 82.67 29.58 2 0 7.77-999 ?-999 ?-999 ? O2 GOL C 303 mLEU^C 100 105.67 85.07 26.84 105.70 85.82 27.51 106.63 85.25 24.56 106.58 85.37 23.34 105.37 85.23 25.39 104.58 86.51 25.08 3 0 7.21-999 ?-999 ?-999 ? O3 GOL C 303 mTHR^C 101 107.76 85.15 25.25 107.64 84.95 26.22 109.40 84.17 23.68 109.02 83.02 23.90 109.07 85.31 24.63 110.16 85.38 25.69 2 0 10.79-999 ?-999 ?-999 ? O3 GOL C 303 mGLN^C 102 110.15 84.49 22.63 110.30 85.47 22.49 112.18 83.43 21.94 112.89 83.02 21.05 110.68 83.44 21.79 110.21 83.61 20.33 2 0 12.65-999 ?-999 ?-999 ? O3 GOL C 303 mGLY^C 103 112.66 83.90 23.08 111.96 84.13 23.76 114.71 82.99 24.20 115.93 83.06 24.50 114.09 84.06 23.32-999.99-999.99-999.99 1 0 14.25-999 ?-999 ?-999 ? O1 GOL D 304 mPHE^C 104 113.92 81.99 24.61 112.96 82.10 24.32 115.46 80.02 24.65 115.56 80.08 23.42 114.42 80.86 25.41 113.29 79.96 25.94 3 0 10.43-999 ?-999 ?-999 ? O1 GOL D 304 mILE^C 105 116.26 79.26 25.39 116.03 79.22 26.37 116.93 77.57 23.68 117.49 77.57 22.58 117.38 78.55 24.77 118.28 77.86 25.82 3 0 9.67-999 ?-999 ?-999 ? O1 GOL D 304 mARG^C 106 115.92 76.76 23.98 115.51 76.92 24.88 114.80 76.36 21.81 114.39 75.64 20.89 115.47 75.74 23.04 114.52 74.75 23.72 2 0 -9.36-999 ?-999 ?-999 ? O1 GOL D 304s mSER^C 107 114.71 77.68 21.78 115.11 78.14 22.57 114.85 78.30 19.37 116.08 78.36 19.39 114.06 78.38 20.69 113.83 79.84 21.07 2 0 12.52-999 ?-999 ?-999 ? O1 GOL D 304 mPRO^C 108 114.13 78.17 18.23 113.15 78.12 18.37 115.51 79.37 16.40 116.33 79.25 15.49 114.76 78.11 16.90 113.56 77.81 15.97 3 0 15.88-999 ?-999 ?-999 ? O1 GOL D 304 mLEU^C 109 115.21 80.54 16.97 114.57 80.47 17.73 117.29 81.94 16.80 117.81 81.27 17.68 115.79 81.83 16.52 115.08 82.99 17.23 3 0 17.89-999 ?-999 ?-999 ? O1 GOL D 304 mASN^C 110 117.99 82.81 16.07 117.48 83.28 15.35 119.64 83.88 17.62 118.71 84.50 18.13 119.41 83.02 16.36 120.17 83.57 15.15 2 0 19.27-999 ?-999 ?-999 ? O1 GOL D 304 mGLU^C 111 120.87 83.89 18.14 121.56 83.41 17.59 120.63 86.01 19.44 119.94 86.40 20.39 121.15 84.58 19.41 122.64 84.54 19.78 2 0 18.50-999 ?-999 ?-999 ? O1 GOL D 304 mSER^C 112 120.95 86.79 18.40 121.44 86.35 17.66 119.04 88.39 18.42 118.52 89.26 19.11 120.56 88.21 18.43 121.25 89.04 17.33 2 0 21.44-999 ?-999 ?-999 ? O1 GOL D 304 mGLU^C 113 118.33 87.56 17.64 118.89 86.94 17.09 116.27 87.17 18.95 115.25 87.71 19.38 116.86 87.57 17.60 116.32 86.63 16.53 2 0 20.54-999 ?-999 ?-999 ? O3 GOL C 303 mLYS^C 114 116.92 86.21 19.63 117.66 85.78 19.10 116.71 87.03 21.94 115.78 87.35 22.69 116.58 85.83 21.00 117.45 84.67 21.49 2 0 17.21-999 ?-999 ?-999 ? O1 GOL D 304 mGLN^C 115 117.87 87.67 21.90 118.55 87.24 21.29 117.00 89.89 22.44 116.44 90.43 23.39 118.13 88.89 22.66 119.46 89.52 22.21 2 0 19.04-999 ?-999 ?-999 ? O1 GOL D 304 mARG^C 116 116.66 90.10 21.17 117.19 89.56 20.51 114.30 90.60 21.42 113.67 91.37 22.13 115.63 91.04 20.80 115.56 91.14 19.27 2 0 19.60-999 ?-999 ?-999 ? O3 GOL C 303 mSER^C 117 113.92 89.35 21.20 114.57 88.81 20.67 112.54 88.91 23.23 111.48 89.26 23.75 112.66 88.83 21.71 112.44 87.40 21.23 2 0 15.86-999 ?-999 ?-999 ? O3 GOL C 303 mASN^C 118 113.61 88.58 23.95 114.41 88.30 23.41 113.39 90.07 25.88 112.63 90.32 26.81 113.60 88.64 25.40 114.87 88.04 25.99 2 0 16.11-999 ?-999 ?-999 ? O3 GOL C 303 mLEU^C 119 114.04 91.02 25.22 114.64 90.69 24.49 112.46 92.93 25.26 111.88 93.62 26.09 113.87 92.43 25.55 114.93 93.29 24.88 3 0 18.13-999 ?-999 ?-999 ? O3 GOL C 303 mASN^C 120 111.90 92.58 24.10 112.48 92.05 23.49 109.53 92.47 24.84 108.55 93.15 25.12 110.53 92.98 23.81 110.08 92.54 22.41 2 0 15.93-999 ?-999 ?-999 ? O3 GOL C 303 mASN^C 121 109.78 91.29 25.39 110.63 90.87 25.10 109.28 90.82 27.80 108.78 90.10 28.66 108.86 90.69 26.35 108.65 89.22 26.02 2 0 13.06-999 ?-999 ?-999 ? O3 GOL C 303 mSER^C 122 110.20 91.74 28.09 110.64 92.16 27.29 109.53 93.13 30.01 109.93 94.25 30.36 110.52 92.08 29.48 111.95 92.57 29.59 2 0 15.31-999 ?-999 ?-999 ? O2 GOL C 303 mVAL^C 123 108.25 92.76 30.06 108.10 91.79 29.83 106.01 92.82 30.92 105.98 91.59 30.74 107.16 93.65 30.40 106.64 94.47 29.16 3 0 14.19-999 ?-999 ?-999 ? O2 GOL C 303 mTYR^C 124 105.06 93.47 31.58 105.28 94.42 31.80 103.03 92.47 30.69 102.76 93.33 29.85 103.82 92.83 31.95 103.00 93.77 32.82 3 0 12.12-999 ?-999 ?-999 ? O2 GOL C 303 mILE^C 125 102.65 91.19 30.60 103.15 90.57 31.21 100.45 90.27 30.55 100.64 89.54 31.52 101.63 90.75 29.69 102.17 89.65 28.75 3 0 8.89-999 ?-999 ?-999 ? O2 GOL C 303 mGLY^C 126 99.24 90.71 30.22 99.18 91.19 29.34 97.40 89.18 30.82 97.77 88.48 29.87 98.10 90.48 31.11-999.99-999.99-999.99 1 0 8.49-999 ?-999 ?-999 ? O2 GOL C 303 mPRO^C 127 96.39 88.83 31.64 96.22 89.47 32.39 95.02 87.51 30.07 94.47 88.50 29.56 95.61 87.61 31.46 94.46 87.78 32.44 3 0 6.74-999 ?-999 ?-999 ? O2 GOL C 303 mMETC 128 95.14 86.34 29.45 95.73 85.69 29.93 93.89 84.63 28.18 94.17 83.88 27.25 94.45 86.04 28.19 95.41 86.20 27.02 2 0 5.21-999 ?-999 ?-999 ? C2 GOL C 303 mPRO^C 129 93.04 84.28 29.17 92.67 85.03 29.72 91.75 82.37 28.30 90.63 82.83 28.21 92.71 82.88 29.39 92.04 82.90 30.76 3 0 4.63-999 ?-999 ?-999 ? O1 GOL C 303 mPRO^C 130 92.21 81.39 27.49 93.07 80.98 27.76 90.31 80.02 26.55 89.30 80.08 25.85 91.44 81.01 26.30 92.50 80.36 25.41 3 0 -5.95-999 ?-999 ?-999 ? O1 GOL C 303s mASN^C 131 90.48 79.14 27.54 91.27 79.34 28.12 88.46 78.19 28.77 87.47 77.43 28.78 89.60 77.97 27.76 90.43 76.75 28.15 2 0 7.43-999 ?-999 ?-999 ? O1 GOL C 303 mGLY^C 132 88.59 79.21 29.61 89.45 79.70 29.49 88.24 80.61 31.50 89.38 80.99 31.24 87.58 79.58 30.61-999.99-999.99-999.99 1 0 9.05-999 ?-999 ?-999 ? O1 GOL C 303 mASP^C 133 87.56 81.06 32.55 86.64 80.69 32.63 89.37 81.40 34.19 89.38 80.21 34.39 88.15 82.03 33.50 87.11 82.45 34.54 2 0 9.52-999 ?-999 ?-999 ? O1 GOL C 303 mHIS^C 134 90.39 82.19 34.51 90.28 83.14 34.21 91.75 82.44 36.55 91.37 83.62 36.65 91.55 81.68 35.25 92.84 81.86 34.46 3 0 -7.87-999 ?-999 ?-999 ? O1 GOL C 303s mHIS^C 135 92.34 81.76 37.54 92.32 80.77 37.40 94.43 82.67 38.39 95.09 81.88 37.73 92.96 82.38 38.71 92.88 81.46 39.94 3 0 10.28-999 ?-999 ?-999 ? O1 GOL C 303 mTYR^C 136 94.92 83.80 38.88 94.25 84.36 39.37 96.89 84.37 40.08 96.17 84.74 41.02 96.31 84.18 38.69 96.42 85.46 37.83 3 0 10.18-999 ?-999 ?-999 ? O1 GOL C 303 mLEU^C 137 98.17 84.08 40.21 98.63 83.77 39.38 99.86 85.32 41.44 100.74 85.33 40.56 98.83 84.23 41.48 99.49 82.93 41.89 3 0 13.02-999 ?-999 ?-999 ? O1 GOL C 303 mILE^C 138 99.75 86.24 42.40 98.91 86.17 42.94 101.52 86.77 43.86 100.92 86.42 44.89 100.76 87.25 42.64 100.16 88.64 42.97 3 0 15.24-999 ?-999 ?-999 ? O2 GOL C 303 mGLN^C 139 102.85 86.77 43.74 103.18 86.98 42.82 104.71 87.61 45.03 105.35 88.05 44.06 103.72 86.47 44.86 104.43 85.14 44.66 2 0 17.75-999 ?-999 ?-999 ? O2 GOL C 303 mVAL^C 140 104.80 88.10 46.27 104.26 87.59 46.95 106.68 88.91 47.60 106.42 88.21 48.58 105.61 89.26 46.58 104.74 90.41 47.10 3 0 20.69-999 ?-999 ?-999 ? O2 GOL C 303 mTYR^C 141 107.90 89.38 47.35 107.95 89.97 46.54 109.61 90.29 48.85 110.00 91.25 48.18 109.04 89.05 48.17 110.14 88.42 47.30 3 0 23.35-999 ?-999 ?-999 ? O2 GOL C 303 mALA^C 142 109.65 90.25 50.18 109.15 89.48 50.59 111.86 90.86 51.00 112.20 89.74 51.40 110.38 91.25 50.96 109.82 91.34 52.35 2 0 26.97-999 ?-999 ?-999 ? O2 GOL C 303 mLEU^C 143 112.74 91.76 50.58 112.35 92.64 50.30 114.95 92.27 51.55 114.51 93.36 51.93 114.16 91.45 50.54 114.70 91.63 49.11 3 0 26.58-999 ?-999 ?-999 ? O1 GOL D 304 mASP^C 144 116.09 91.76 52.01 116.34 90.88 51.60 118.02 93.29 52.39 118.83 93.87 53.11 116.90 92.47 53.02 117.47 91.50 54.07 2 0 29.03-999 ?-999 ?-999 ? O3 GOL D 304 mILE^C 145 118.08 93.29 51.06 117.45 92.66 50.62 118.23 95.15 49.46 117.16 94.81 48.96 119.01 94.17 50.35 120.07 93.38 49.53 3 0 28.81-999 ?-999 ?-999 ? O1 GOL D 304 mPRO^C 146 118.75 96.39 49.28 119.65 96.55 49.69 118.01 97.15 47.03 117.03 97.42 46.35 117.99 97.39 48.54 118.68 98.71 48.90 3 0 30.12-999 ?-999 ?-999 ? O1 GOL D 304 mLYS^C 147 119.12 96.63 46.52 119.83 96.41 47.19 119.69 94.99 44.73 120.54 94.39 45.39 119.25 96.42 45.09 120.18 97.46 44.47 2 0 27.69-999 ?-999 ?-999 ? O1 GOL D 304 mLEU^C 148 119.06 94.47 43.69 118.34 95.06 43.32 120.17 93.36 41.87 119.87 94.27 41.10 119.36 93.15 43.13 118.05 92.44 42.77 3 0 23.98-999 ?-999 ?-999 ? O1 GOL D 304 mALA^C 149 121.19 92.53 41.64 121.30 91.84 42.36 121.39 91.96 39.22 121.74 90.84 38.82 122.04 92.63 40.45 123.45 92.05 40.72 2 0 23.10-999 ?-999 ?-999 ? O1 GOL D 304 mLEU^C 150 120.43 92.65 38.63 120.29 93.57 39.01 119.64 93.13 36.38 119.35 94.32 36.56 119.67 92.13 37.52 118.24 91.79 37.97 3 0 21.01-999 ?-999 ?-999 ? O1 GOL D 304 mLYS^C 151 119.93 92.63 35.19 120.11 91.64 35.19 119.10 92.75 32.93 119.23 91.55 32.67 119.98 93.43 33.99 121.45 93.50 33.52 2 0 21.67-999 ?-999 ?-999 ? O1 GOL D 304 mALA^C 152 118.18 93.51 32.32 118.10 94.44 32.67 118.30 92.53 30.07 119.21 93.28 29.69 117.38 92.96 31.23 116.34 93.95 30.77 2 0 20.57-999 ?-999 ?-999 ? O1 GOL D 304 mPRO^C 153 118.07 91.31 29.52 118.73 91.09 28.81 117.40 89.36 30.96 118.49 88.81 30.92 117.00 90.39 29.90 116.71 89.67 28.58 3 0 18.07-999 ?-999 ?-999 ? O1 GOL D 304 mPHE^C 154 116.51 89.11 31.90 115.69 89.68 31.86 115.43 87.32 33.12 114.35 87.89 32.96 116.73 88.08 32.90 117.24 88.68 34.22 3 0 15.68-999 ?-999 ?-999 ? O1 GOL D 304 mPHE^C 155 115.55 86.05 33.49 116.50 85.77 33.64 114.07 84.93 35.14 114.82 85.35 36.04 114.40 85.16 33.67 114.66 83.81 32.97 3 0 12.69-999 ?-999 ?-999 ? O1 GOL D 304 mLEU^C 156 112.96 84.23 35.37 112.48 83.95 34.54 113.58 83.19 37.56 113.71 83.42 38.77 112.51 83.92 36.71 111.24 83.08 36.64 3 0 12.48-999 ?-999 ?-999 ? O1 GOL D 304 mGLY^C 157 114.36 82.33 36.92 114.16 82.21 35.95 116.46 82.62 38.08 117.04 82.48 39.15 115.42 81.63 37.63-999.99-999.99-999.99 1 0 10.79-999 ?-999 ?-999 ? O1 GOL D 304 mASP^C 158 116.69 83.63 37.24 116.14 83.59 36.41 117.20 85.56 38.67 117.99 85.93 39.54 117.67 84.68 37.52 117.95 85.52 36.26 2 0 13.76-999 ?-999 ?-999 ? O1 GOL D 304 mLEU^C 159 115.91 85.87 38.69 115.40 85.55 37.89 115.50 85.80 41.09 115.90 86.34 42.13 115.31 86.60 39.80 113.82 86.83 39.57 3 0 16.15-999 ?-999 ?-999 ? O1 GOL D 304 mHIS^C 160 115.23 84.50 40.99 115.01 84.18 40.07 116.66 83.43 42.71 116.82 83.34 43.92 115.26 83.64 42.16 114.52 82.34 41.91 3 0 15.16-999 ?-999 ?-999 ? O1 GOL D 304 mASP^C 161 117.66 83.42 41.83 117.34 83.44 40.88 119.54 84.57 43.03 120.28 84.40 44.00 119.07 83.37 42.20 119.96 83.27 40.94 2 0 15.68-999 ?-999 ?-999 ? O1 GOL D 304 mLYS^C 162 119.11 85.77 42.65 118.48 85.76 41.88 118.87 87.19 44.67 119.46 87.77 45.57 119.56 86.98 43.33 119.39 88.20 42.43 2 0 19.13-999 ?-999 ?-999 ? O1 GOL D 304 mMETC 163 117.62 86.74 44.79 117.26 86.33 43.95 117.31 85.77 47.07 116.97 85.90 48.25 116.88 86.82 46.04 115.37 86.64 45.79 2 0 20.27-999 ?-999 ?-999 ? O1 GOL D 304 mARG^C 164 118.01 84.71 46.63 118.32 84.77 45.68 119.06 84.02 48.75 120.12 84.62 48.62 118.28 83.57 47.52 119.00 82.43 46.80 2 0 18.98-999 ?-999 ?-999 ? O3 GOL D 304 mASN^C 165 118.50 83.76 49.92 117.63 83.28 49.84 118.82 85.57 51.62 119.40 86.07 52.59 119.11 84.13 51.21 120.64 83.88 51.23 2 0 22.14-999 ?-999 ?-999 ? O3 GOL D 304 mHIS^C 166 117.94 86.25 50.88 117.53 85.73 50.13 116.15 87.81 51.46 115.68 88.93 51.67 117.63 87.63 51.18 118.08 88.51 50.02 3 0 24.27-999 ?-999 ?-999 ? O3 GOL D 304 mILE^C 167 115.41 86.71 51.48 115.92 85.86 51.39 113.58 86.74 53.08 113.95 85.79 53.78 113.96 86.80 51.63 113.24 85.66 50.90 3 0 23.80-999 ?-999 ?-999 ? O3 GOL D 304 mILE^C 168 112.85 87.75 53.54 112.63 88.45 52.86 110.93 87.53 55.07 110.43 87.27 56.17 112.42 87.78 54.94 112.82 89.10 55.66 3 0 26.96-999 ?-999 ?-999 ? O3 GOL D 304 mALA^C 169 110.22 87.62 53.96 110.74 87.85 53.13 108.28 87.22 52.55 108.89 87.71 51.59 108.79 87.39 53.96 108.06 88.54 54.67 2 0 26.53-999 ?-999 ?-999 ? O3 GOL D 304 mILE^C 170 107.14 86.54 52.43 106.78 86.18 53.29 105.01 86.57 51.38 104.46 86.09 52.36 106.49 86.34 51.16 106.76 84.91 50.61 3 0 24.46-999 ?-999 ?-999 ? O2 GOL C 303 mGLY^C 171 104.38 87.33 50.47 104.99 87.76 49.81 102.30 86.93 49.21 102.94 86.91 48.15 102.93 87.50 50.47-999.99-999.99-999.99 1 0 23.12-999 ?-999 ?-999 ? O2 GOL C 303 mARG^C 172 101.03 86.51 49.31 100.61 86.69 50.19 98.90 86.30 48.00 98.14 86.38 48.95 100.35 85.84 48.20 100.38 84.32 48.39 2 0 20.07-999 ?-999 ?-999 ? O1 GOL C 303 mLYS^C 173 98.54 86.60 46.75 99.27 86.47 46.08 96.75 86.49 45.07 97.46 86.63 44.08 97.18 87.06 46.41 97.10 88.60 46.37 2 0 18.43-999 ?-999 ?-999 ? O1 GOL C 303 mGLU^C 174 95.58 85.84 45.03 95.18 85.69 45.93 93.89 86.37 43.28 93.25 87.03 44.09 94.97 85.41 43.76 94.37 84.01 43.85 2 0 15.42-999 ?-999 ?-999 ? O1 GOL C 303 mPHE^C 175 93.71 86.46 41.96 94.41 86.00 41.42 92.05 86.38 40.17 92.73 85.48 39.68 92.59 87.17 41.36 92.98 88.61 40.97 3 0 14.45-999 ?-999 ?-999 ? O1 GOL C 303 mLEU^C 176 90.84 86.70 39.72 90.39 87.38 40.30 90.32 87.09 37.33 90.33 88.31 37.51 90.22 86.13 38.52 88.73 85.86 38.73 3 0 12.61-999 ?-999 ?-999 ? O1 GOL C 303 mTYR^C 177 90.36 86.51 36.13 90.57 85.53 36.15 89.24 86.42 33.95 89.41 85.20 33.86 90.13 87.25 34.89 91.45 87.61 34.22 3 0 11.00-999 ?-999 ?-999 ? O1 GOL C 303 mLYS^C 178 88.28 87.07 33.29 88.30 88.06 33.44 87.94 85.76 31.20 88.84 86.34 30.60 87.29 86.38 32.42 86.14 87.32 31.96 2 0 11.51-999 ?-999 ?-999 ? O1 GOL C 303 mGLN^C 179 87.47 84.57 30.83 86.85 84.15 31.50 87.93 84.97 28.45 87.00 85.74 28.19 87.82 83.96 29.58 86.77 82.93 29.20 2 0 9.45-999 ?-999 ?-999 ? O1 GOL C 303 mPHE^C 180 89.08 84.96 27.78 89.78 84.36 28.18 88.24 85.49 25.50 88.00 84.35 25.10 89.29 85.74 26.58 90.69 85.50 26.01 3 0 9.05-999 ?-999 ?-999 ? C3 GOL C 303 mVAL^C 181 87.64 86.58 25.03 87.99 87.43 25.42 87.12 86.77 22.63 87.32 87.92 22.23 86.56 86.51 24.04 85.40 87.50 24.41 3 0 12.07-999 ?-999 ?-999 ? C3 GOL C 303 mMETD 1 98.14 83.14 58.52 97.63 83.67 59.19 100.32 82.02 58.00 101.22 82.85 57.92 98.90 82.34 57.51 98.92 83.08 56.15 2 0 28.38-999 ?-999 ?-999 ? O1 GOL C 303 mLYS^D 2 100.51 80.81 58.52 99.70 80.22 58.48 102.76 79.75 58.07 102.44 79.58 56.90 101.79 80.40 59.08 101.56 79.50 60.31 2 0 29.35-999 ?-999 ?-999 ? O3 GOL D 304 mTHR^D 3 103.93 79.37 58.56 103.99 79.49 59.56 105.64 77.60 58.46 105.49 77.46 59.68 105.03 78.83 57.76 106.08 79.93 57.57 2 0 26.39-999 ?-999 ?-999 ? O3 GOL D 304 mPHE^D 4 106.29 76.72 57.70 106.24 76.91 56.72 108.23 75.12 57.48 108.31 75.37 56.27 107.01 75.57 58.29 106.07 74.39 58.57 3 0 25.30-999 ?-999 ?-999 ? O3 GOL D 304 mGLU^D 5 109.17 74.48 58.16 108.98 74.38 59.14 110.01 72.71 56.71 109.13 71.95 57.09 110.37 73.96 57.51 111.49 73.69 58.54 2 0 23.44-999 ?-999 ?-999 ? O3 GOL D 304 mVAL^D 6 110.68 72.55 55.57 111.30 73.31 55.36 111.95 70.89 54.50 112.88 71.69 54.37 110.54 71.39 54.72 109.86 71.76 53.35 3 0 20.37-999 ?-999 ?-999 ? O3 GOL D 304 mMETD 7 112.12 69.58 54.49 111.28 69.05 54.57 113.55 67.88 53.36 112.64 67.06 53.21 113.44 69.00 54.37 113.96 68.52 55.72 2 0 19.63-999 ?-999 ?-999 ? O3 GOL D 304 mILE^D 8 114.70 67.86 52.71 115.30 68.62 52.95 116.57 66.70 51.90 117.29 67.69 52.02 115.07 66.85 51.74 114.68 67.29 50.29 3 0 17.24-999 ?-999 ?-999 ? O3 GOL D 304 mGLN^D 9 117.05 65.46 51.92 116.36 64.75 51.80 119.30 65.58 50.89 119.02 65.13 49.78 118.47 65.20 52.11 118.71 63.73 52.48 2 0 18.39-999 ?-999 ?-999 ? O3 GOL D 304 mTHR^D 10 120.33 66.40 51.12 120.41 66.71 52.07 122.72 66.68 50.50 123.02 66.38 51.66 121.25 66.79 50.07 120.96 68.23 49.54 2 0 16.98-999 ?-999 ?-999 ? O3 GOL D 304 mASP^D 11 123.61 66.88 49.53 123.19 66.77 48.63 125.36 68.17 50.83 124.49 68.84 51.38 125.03 67.21 49.70 125.52 67.95 48.44 2 0 18.43-999 ?-999 ?-999 ? O3 GOL D 304 mSER^D 12 126.66 68.25 51.12 127.21 67.49 50.78 127.04 70.65 51.04 126.88 71.74 51.58 127.22 69.38 51.88 128.72 69.16 52.13 2 0 21.27-999 ?-999 ?-999 ? O3 GOL D 304 mLYS^D 13 127.08 70.46 49.72 127.17 69.50 49.45 125.59 71.80 48.21 125.44 72.55 47.24 127.01 71.53 48.75 127.97 71.24 47.60 2 0 18.76-999 ?-999 ?-999 ? O3 GOL D 304 mGLY^D 14 124.57 71.20 48.82 124.85 70.56 49.54 122.52 70.58 47.36 121.34 70.77 47.03 123.16 71.45 48.46-999.99-999.99-999.99 1 0 16.21-999 ?-999 ?-999 ? O3 GOL D 304 mTYR^D 15 123.28 69.63 46.81 124.17 69.53 47.25 122.13 67.52 46.07 122.67 66.71 46.82 122.83 68.81 45.67 124.00 68.46 44.73 3 0 13.71-999 ?-999 ?-999 ? O3 GOL D 304 mLEU^D 16 120.92 67.34 45.54 120.54 68.15 45.10 120.96 65.01 44.80 121.46 65.30 43.71 120.21 66.07 45.60 118.82 66.26 44.99 3 0 12.80-999 ?-999 ?-999 ? O3 GOL D 304 mASP^D 17 121.03 63.80 45.34 120.55 63.73 46.22 121.34 62.41 43.22 120.20 62.63 42.81 121.73 62.68 44.70 121.56 61.41 45.54 2 0 14.25-999 ?-999 ?-999 ? O3 GOL D 304 mALA^D 18 122.29 61.91 42.43 123.18 61.82 42.88 120.81 60.64 40.83 120.08 60.80 39.83 122.04 61.53 41.03 123.26 60.86 40.43 2 0 12.90-999 ?-999 ?-999 ? O3 GOL D 304 mLYS^D 19 120.59 59.72 41.78 121.32 59.71 42.46 118.14 59.42 41.34 117.38 58.78 40.64 119.43 58.81 41.83 119.15 58.39 43.28 2 0 14.08-999 ?-999 ?-999 ? O3 GOL D 304 mPHE^D 20 117.90 60.67 41.74 118.71 61.14 42.09 116.32 62.12 40.43 115.30 62.83 40.36 116.58 61.28 41.67 116.32 62.10 42.93 3 0 11.28-999 ?-999 ?-999 ? O3 GOL D 304 mGLY^D 21 117.21 62.02 39.45 117.93 61.35 39.62 117.81 62.14 37.09 118.25 60.99 37.22 117.12 62.84 38.24-999.99-999.99-999.99 1 0 8.34-999 ?-999 ?-999 ? O3 GOL D 304 mGLY^D 22 117.93 62.84 35.97 117.64 63.79 36.06 119.81 61.59 34.75 120.13 60.83 33.83 118.45 62.26 34.73-999.99-999.99-999.99 1 0 8.65-999 ?-999 ?-999 ? O3 GOL D 304 mASN^D 23 120.61 61.86 35.79 120.19 62.47 36.46 122.03 60.00 36.71 123.10 59.40 36.87 121.98 61.33 35.93 122.89 62.36 36.60 2 0 11.46-999 ?-999 ?-999 ? O3 GOL D 304 mALA^D 24 120.86 59.56 37.18 120.10 60.17 36.97 121.39 57.12 37.25 121.46 57.06 36.02 120.72 58.31 37.94 119.24 58.00 38.19 2 0 13.57-999 ?-999 ?-999 ? O3 GOL D 304 mPRO^D 25 121.89 56.17 38.05 122.00 56.43 39.01 121.03 54.21 36.83 119.89 54.37 37.34 122.25 54.85 37.51 122.64 54.06 38.76 3 0 17.19-999 ?-999 ?-999 ? O3 GOL D 304 mLYS^D 26 121.26 53.51 35.72 122.23 53.47 35.49 119.09 52.21 35.74 117.91 52.25 35.40 120.21 52.87 34.89 120.86 51.84 33.96 2 0 18.02-999 ?-999 ?-999 ? O3 GOL D 304 mALA^D 27 119.50 51.63 36.87 120.48 51.71 37.02 117.47 51.80 38.37 116.45 51.28 38.80 118.60 50.93 37.78 119.43 50.29 38.91 2 0 19.71-999 ?-999 ?-999 ? O3 GOL D 304 mPHE^D 28 117.67 53.12 38.40 118.53 53.42 38.00 115.82 54.72 37.92 114.87 55.42 38.25 116.66 54.02 38.98 117.32 55.03 39.91 3 0 16.65-999 ?-999 ?-999 ? O3 GOL D 304 mLEU^D 29 116.17 54.52 36.65 117.00 53.97 36.54 114.35 54.06 35.14 114.50 52.87 35.40 115.41 55.06 35.54 116.34 55.30 34.35 3 0 14.98-999 ?-999 ?-999 ? O3 GOL D 304 mASN^D 30 113.28 54.51 34.51 113.18 55.50 34.46 112.87 52.97 32.65 113.95 53.33 32.21 112.33 53.56 33.97 110.92 54.15 33.85 2 0 16.61-999 ?-999 ?-999 ? O3 GOL D 304 mSER^D 31 112.11 52.07 32.03 111.20 51.94 32.43 112.86 52.27 29.67 113.66 51.95 28.79 112.61 51.35 30.88 111.68 50.18 30.52 2 0 18.89-999 ?-999 ?-999 ? O2 GOL D 304 mASN^D 32 112.18 53.42 29.61 111.48 53.53 30.32 113.54 55.42 29.00 113.68 56.44 28.35 112.46 54.41 28.59 111.19 55.18 28.24 2 0 16.08-999 ?-999 ?-999 ? O2 GOL D 304 mGLY^D 33 114.26 55.16 30.09 114.02 54.30 30.55 114.93 57.32 31.40 115.81 58.11 31.74 115.31 56.09 30.56-999.99-999.99-999.99 1 0 14.30-999 ?-999 ?-999 ? O2 GOL D 304 mLEU^D 34 113.66 57.48 31.76 113.06 56.74 31.46 113.35 58.48 34.06 113.06 57.42 34.58 113.20 58.65 32.53 111.75 58.99 32.19 3 0 11.62-999 ?-999 ?-999 ? O2 GOL D 304 mPRO^D 35 113.83 59.53 34.76 114.13 60.31 34.21 112.56 59.69 36.93 112.16 60.81 37.27 113.90 59.51 36.22 114.84 60.67 36.53 3 0 10.60-999 ?-999 ?-999 ? O3 GOL D 304 mTHR^D 36 111.89 58.57 37.19 112.34 57.74 36.87 110.75 58.10 39.34 109.75 57.73 39.95 110.62 58.59 37.90 109.60 57.72 37.19 2 0 12.45-999 ?-999 ?-999 ? O3 GOL D 304 mTYR^D 37 111.97 58.10 39.87 112.68 58.42 39.24 112.31 58.89 42.16 113.31 59.62 42.16 112.23 57.67 41.25 113.53 56.88 41.29 3 0 14.10-999 ?-999 ?-999 ? O3 GOL D 304 mSER^D 38 111.26 59.11 42.94 110.57 58.38 42.91 111.88 60.27 45.10 112.02 59.21 45.70 111.13 60.32 43.74 109.65 60.67 43.94 2 0 13.62-999 ?-999 ?-999 ? O3 GOL D 304 mPRO^D 39 112.37 61.42 45.58 112.24 62.23 45.01 112.13 61.58 48.09 111.04 62.16 47.99 113.05 61.43 46.89 113.96 62.65 46.81 3 0 14.90-999 ?-999 ?-999 ? O3 GOL D 304 mLYS^D 40 112.58 61.04 49.22 113.39 60.46 49.11 111.88 62.79 50.73 112.89 63.50 50.58 111.94 61.29 50.49 112.71 60.61 51.62 2 0 18.14-999 ?-999 ?-999 ? O3 GOL D 304 mILE^D 41 110.70 63.29 51.07 109.95 62.62 51.06 109.71 64.72 52.71 108.71 64.00 52.83 110.53 64.69 51.43 109.85 65.53 50.31 3 0 17.92-999 ?-999 ?-999 ? O3 GOL D 304 mSER^D 42 110.13 65.54 53.66 110.94 66.09 53.43 109.39 67.04 55.42 110.10 67.91 54.91 109.45 65.62 54.94 110.12 64.71 55.98 2 0 21.24-999 ?-999 ?-999 ? O3 GOL D 304 mTRP^D 43 108.53 67.28 56.40 108.06 66.46 56.73 107.69 68.53 58.33 107.21 67.48 58.74 108.29 68.61 56.93 107.36 69.39 56.00 3 0 23.05-999 ?-999 ?-999 ? O3 GOL D 304 mGLN^D 44 107.74 69.61 59.07 108.14 70.42 58.64 105.71 69.49 60.36 105.11 70.08 59.48 107.21 69.58 60.42 107.59 70.86 61.17 2 0 26.66-999 ?-999 ?-999 ? O3 GOL D 304 mLYS^D 45 105.12 68.76 61.30 105.74 68.25 61.90 103.19 70.13 61.72 103.85 70.88 62.45 103.67 68.73 61.40 103.19 67.75 62.49 2 0 28.78-999 ?-999 ?-999 ? O3 GOL D 304 mVAL^D 46 102.04 70.50 61.17 101.64 69.83 60.55 100.10 71.56 62.15 99.27 70.79 61.65 101.44 71.80 61.47 101.39 72.75 60.21 3 0 29.79-999 ?-999 ?-999 ? O3 GOL D 304 mGLU^D 47 99.90 72.20 63.31 100.64 72.82 63.55 97.43 72.39 63.36 97.35 73.49 62.82 98.70 72.00 64.13 98.82 72.78 65.45 2 0 33.41-999 ?-999 ?-999 ? O3 GOL D 304 mGLY^D 48 96.46 71.48 63.31 96.66 70.66 63.85 95.25 71.01 61.17 94.20 70.87 60.54 95.22 71.67 62.55-999.99-999.99-999.99 1 0 33.87-999 ?-999 ?-999 ? O3 GOL D 304 mALA^D 49 96.44 70.62 60.71 97.20 70.82 61.32 95.84 68.63 59.33 96.18 67.68 60.04 96.58 69.97 59.40 98.05 69.79 59.06 2 0 30.48-999 ?-999 ?-999 ? O3 GOL D 304 mGLN^D 50 94.84 68.56 58.46 94.61 69.43 58.02 94.69 66.57 56.95 94.40 65.38 56.76 94.14 67.30 58.18 92.64 67.54 58.03 2 0 31.16-999 ?-999 ?-999 ? O3 GOL D 304 mSER^D 51 95.46 67.27 56.10 95.46 68.25 56.32 97.21 67.68 54.37 97.07 68.89 54.56 96.22 66.68 54.97 95.32 66.14 53.85 2 0 27.47-999 ?-999 ?-999 ? O3 GOL D 304 mTYR^D 52 98.19 67.16 53.65 98.21 66.16 53.64 99.06 67.81 51.45 98.51 66.79 50.99 99.15 68.01 52.96 100.57 67.75 53.46 3 0 23.91-999 ?-999 ?-999 ? O3 GOL D 304 mALA^D 53 99.56 68.79 50.70 99.78 69.62 51.22 101.11 69.28 48.91 101.66 70.05 49.70 99.77 68.67 49.26 98.66 69.35 48.49 2 0 20.73-999 ?-999 ?-999 ? O3 GOL D 304 mLEU^D 54 101.64 68.92 47.73 101.02 68.39 47.15 103.13 69.61 45.85 102.58 68.93 44.99 103.01 69.29 47.33 104.00 68.18 47.72 3 0 17.07-999 ?-999 ?-999 ? O3 GOL D 304 mGLU^D 55 103.86 70.68 45.54 104.11 71.26 46.32 105.77 71.02 44.13 106.40 71.47 45.08 104.26 70.93 44.17 103.59 72.19 43.60 2 0 13.94-999 ?-999 ?-999 ? C3 GOL D 304 mLEU^D 56 106.34 70.53 43.04 105.69 70.10 42.42 107.95 71.26 41.40 107.66 70.67 40.36 107.76 70.62 42.78 108.42 69.23 42.87 3 0 10.50-999 ?-999 ?-999 ? O3 GOL D 304 mILE^D 57 108.43 72.50 41.42 108.68 72.82 42.34 110.05 73.73 39.98 110.82 73.91 40.93 108.58 73.30 40.23 107.58 74.48 40.25 3 0 8.66-999 ?-999 ?-999 ? C3 GOL D 304 mASP^D 58 110.43 73.83 38.71 109.73 73.56 38.05 111.65 75.68 37.71 111.32 75.79 36.53 111.75 74.29 38.34 112.37 73.35 37.31 2 0 -6.24-999 ?-999 ?-999 ? O3 GOL D 304s mHIS^D 59 111.96 76.73 38.48 112.17 76.50 39.43 113.02 78.27 36.83 112.82 79.05 35.88 111.97 78.09 37.93 112.23 79.13 39.01 3 0 8.58-999 ?-999 ?-999 ? O1 GOL D 304 mASP^D 60 114.13 77.54 36.97 114.12 76.91 37.74 114.95 77.19 34.66 115.78 77.28 33.77 115.26 77.70 36.05 116.53 77.02 36.59 2 0 6.69-999 ?-999 ?-999 ? O1 GOL D 304 mALA^D 61 113.76 76.65 34.48 113.14 76.70 35.26 112.95 77.11 32.26 112.95 76.91 31.03 113.41 76.04 33.22 112.33 74.97 33.42 2 0 -3.85-999 ?-999 ?-999 ? O1 GOL D 304s mGLN^D 62 112.57 78.26 32.81 112.70 78.30 33.80 113.00 79.81 30.93 112.59 80.04 29.80 112.02 79.35 32.00 111.57 80.55 32.83 2 0 7.15-999 ?-999 ?-999 ? O1 GOL D 304 mLYS^D 63 114.26 79.95 31.32 114.41 79.77 32.30 115.53 79.27 29.31 115.95 79.58 28.21 115.33 80.33 30.42 116.60 80.54 31.25 2 0 7.90-999 ?-999 ?-999 ? O1 GOL D 304 mVAL^D 64 115.17 78.03 29.61 114.75 77.93 30.51 114.20 76.78 27.73 114.43 76.66 26.52 115.36 76.92 28.70 115.57 75.61 29.48 3 0 5.39-999 ?-999 ?-999 ? O1 GOL D 304 mCYH^D 65 112.96 76.82 28.22 112.90 76.98 29.20 110.75 77.75 27.35 109.75 77.66 26.63 111.82 76.64 27.32 111.17 75.28 27.55 2 0 6.56-999 ?-999 ?-999 ? O1 GOL D 304 mGLY^D 66 110.98 78.79 28.16 111.80 78.69 28.73 109.16 79.99 29.36 108.66 81.06 29.71 110.10 79.96 28.18-999.99-999.99-999.99 1 0 9.26-999 ?-999 ?-999 ? O1 GOL D 304 mMETD 67 108.93 78.83 29.97 109.38 78.05 29.53 108.72 77.83 32.24 109.70 77.14 31.97 108.08 78.70 31.16 106.72 78.16 30.78 2 0 8.81-999 ?-999 ?-999 ? O1 GOL D 304 mPRO^D 68 108.22 77.91 33.49 107.49 78.58 33.63 108.14 75.63 34.49 106.97 75.47 34.15 108.73 77.04 34.54 108.35 77.77 35.83 3 0 7.71-999 ?-999 ?-999 ? O1 GOL D 304 mPHE^D 69 108.94 74.62 34.82 109.81 74.92 35.22 107.90 72.54 35.81 108.35 72.69 36.94 108.57 73.20 34.61 109.81 72.41 34.21 3 0 5.84-999 ?-999 ?-999 ? C3 GOL D 304 mVAL^D 70 106.83 71.81 35.58 106.52 71.79 34.63 106.70 69.68 36.80 106.47 68.85 35.93 106.18 71.11 36.69 104.66 71.13 36.55 3 0 7.98-999 ?-999 ?-999 ? C3 GOL D 304 mHIS^D 71 107.43 69.42 37.87 107.51 70.20 38.50 107.19 67.16 38.91 107.32 65.95 38.73 108.03 68.13 38.11 109.35 68.33 38.83 3 0 -7.36-999 ?-999 ?-999 ? C3 GOL D 304s mTRP^D 72 106.34 67.67 39.80 106.31 68.67 39.85 104.37 67.54 41.26 104.53 68.67 41.74 105.52 66.79 40.63 106.40 66.17 41.72 3 0 11.13-999 ?-999 ?-999 ? C3 GOL D 304 mVAL^D 73 103.20 66.94 41.23 103.16 66.12 40.66 101.32 66.35 42.64 100.96 65.37 42.00 102.07 67.48 41.99 101.17 68.51 41.21 3 0 14.40-999 ?-999 ?-999 ? C3 GOL D 304 mVAL^D 74 101.13 66.47 43.94 101.38 67.37 44.32 99.68 65.97 45.79 100.08 66.86 46.52 100.58 65.39 44.74 101.72 64.49 45.34 3 0 17.68-999 ?-999 ?-999 ? C3 GOL D 304 mGLY^D 75 98.44 65.50 45.82 98.23 64.89 45.06 97.16 64.65 47.70 97.64 63.55 47.43 97.48 65.86 46.85-999.99-999.99-999.99 1 0 21.19-999 ?-999 ?-999 ? C3 GOL D 304 mASN^D 76 96.32 64.86 48.72 96.00 65.80 48.78 97.10 63.13 50.37 97.18 61.89 50.39 95.92 63.81 49.67 95.02 62.78 48.99 2 0 24.61-999 ?-999 ?-999 ? C3 GOL D 304 mILE^D 77 98.02 63.93 50.91 97.89 64.90 50.72 98.65 63.42 53.14 98.46 64.49 53.72 99.12 63.40 51.70 100.42 64.21 51.55 3 0 23.82-999 ?-999 ?-999 ? O3 GOL D 304 mALA^D 78 98.44 62.24 53.71 98.71 61.46 53.15 98.89 62.40 56.16 98.52 62.61 57.32 97.86 62.14 55.05 97.19 60.77 55.24 2 0 27.40-999 ?-999 ?-999 ? O3 GOL D 304 mHIS^D 79 100.18 62.38 55.82 100.35 62.20 54.85 102.33 63.51 56.33 102.43 63.83 55.14 101.22 62.59 56.81 101.82 61.26 57.26 3 0 26.79-999 ?-999 ?-999 ? O3 GOL D 304 mASN^D 80 103.17 63.93 57.27 103.03 63.51 58.16 105.47 64.31 56.40 106.58 64.70 56.73 104.20 64.92 57.00 104.45 65.78 58.24 2 0 25.02-999 ?-999 ?-999 ? O3 GOL D 304 mVAL^D 81 105.27 63.34 55.51 104.31 63.10 55.39 105.84 62.17 53.48 104.69 61.76 53.39 106.36 62.70 54.80 106.90 61.40 55.49 3 0 22.82-999 ?-999 ?-999 ? O3 GOL D 304 mLEU^D 82 106.71 62.17 52.48 107.45 62.83 52.58 107.84 60.44 51.38 108.96 60.97 51.24 106.58 61.27 51.36 106.46 62.02 50.04 3 0 20.35-999 ?-999 ?-999 ? O3 GOL D 304 mGLU^D 83 107.71 59.14 51.59 106.77 58.80 51.69 109.50 58.18 50.26 108.88 58.53 49.26 108.90 58.32 51.66 108.64 56.96 52.32 2 0 21.28-999 ?-999 ?-999 ? O3 GOL D 304 mGLU^D 84 110.73 57.69 50.22 111.11 57.46 51.11 110.67 56.58 48.02 110.13 55.56 48.45 111.44 57.50 48.96 112.82 56.92 49.23 2 0 19.14-999 ?-999 ?-999 ? O3 GOL D 304 mASN^D 85 110.59 56.96 46.75 111.03 57.83 46.56 108.41 56.15 45.87 107.73 55.31 45.29 109.93 56.15 45.73 110.48 54.72 45.76 2 0 18.24-999 ?-999 ?-999 ? O3 GOL D 304 mALA^D 86 107.89 57.10 46.64 108.57 57.68 47.09 105.64 57.50 45.47 104.49 57.09 45.36 106.43 57.27 46.78 106.09 58.36 47.80 2 0 19.28-999 ?-999 ?-999 ? O3 GOL D 304 mSER^D 87 106.23 58.15 44.47 107.16 58.47 44.62 105.05 57.01 42.65 103.92 56.86 42.20 105.48 58.35 43.25 106.25 59.21 42.24 2 0 17.01-999 ?-999 ?-999 ? O3 GOL D 304 mMETD 88 105.93 56.02 42.67 106.83 56.29 43.04 104.74 53.92 43.20 103.73 53.32 42.83 105.61 54.68 42.19 106.88 53.89 41.89 2 0 19.22-999 ?-999 ?-999 ? O3 GOL D 304 mMETD 89 105.10 54.03 44.48 105.68 54.82 44.66 103.51 53.47 46.46 102.80 52.60 46.96 104.69 53.09 45.53 105.93 52.82 46.38 2 0 22.32-999 ?-999 ?-999 ? O3 GOL D 304 mASP^D 90 103.32 54.75 46.71 103.91 55.36 46.18 100.92 55.18 47.07 100.66 55.84 46.07 102.32 55.21 47.68 102.69 56.62 48.15 2 0 23.12-999 ?-999 ?-999 ? O3 GOL D 304 mLYS^D 91 100.01 54.43 47.69 100.32 54.05 48.57 97.64 55.14 47.64 96.51 55.14 47.18 98.69 54.19 47.12 98.24 52.74 47.37 2 0 25.57-999 ?-999 ?-999 ? O3 GOL D 304 mARG^D 92 98.02 55.97 48.61 98.99 55.89 48.85 97.05 58.26 48.49 95.98 58.87 48.34 97.09 56.91 49.24 97.48 57.11 50.70 2 0 26.17-999 ?-999 ?-999 ? O3 GOL D 304 mILE^D 93 98.21 58.71 48.03 98.98 58.10 48.19 97.64 59.94 45.96 97.44 58.90 45.36 98.30 59.99 47.34 99.78 60.48 47.21 3 0 22.84-999 ?-999 ?-999 ? O3 GOL D 304 mVAL^D 94 97.29 61.12 45.48 97.43 61.88 46.11 97.77 62.19 43.47 98.37 63.03 44.12 96.76 61.27 44.15 95.33 61.83 44.24 3 0 21.72-999 ?-999 ?-999 ? C3 GOL D 304 mGLN^D 95 98.04 61.97 42.19 97.43 61.32 41.74 98.71 63.40 40.28 97.96 62.86 39.48 99.14 62.67 41.53 100.25 61.70 41.20 2 0 18.08-999 ?-999 ?-999 ? C3 GOL D 304 mGLY^D 96 99.19 64.64 40.13 99.78 64.95 40.88 99.81 65.25 37.74 100.83 64.56 37.84 98.89 65.45 38.95-999.99-999.99-999.99 1 0 16.32-999 ?-999 ?-999 ? C3 GOL D 304 mVAL^D 97 99.46 65.86 36.62 98.63 66.42 36.71 101.43 66.61 35.42 101.34 67.81 35.71 100.18 65.74 35.38 99.30 66.21 34.21 3 0 14.26-999 ?-999 ?-999 ? C3 GOL D 304 mASN^D 98 102.59 66.03 35.14 102.54 65.04 34.99 103.96 67.42 33.66 103.14 67.17 32.77 103.81 66.81 35.06 105.06 66.00 35.49 2 0 10.47-999 ?-999 ?-999 ? C3 GOL D 304 mSER^D 99 105.01 68.20 33.47 105.70 68.17 34.19 105.77 68.29 31.13 106.03 68.89 30.09 105.12 69.02 32.29 105.86 70.30 32.61 2 0 8.32-999 ?-999 ?-999 ? O2 GOL D 304 mLEU^D 100 106.03 66.99 31.30 105.89 66.65 32.23 105.33 65.87 29.27 105.54 65.36 28.17 106.49 66.17 30.19 107.08 64.84 30.65 3 0 8.02-999 ?-999 ?-999 ? O2 GOL D 304 mTHR^D 101 104.11 66.18 29.73 104.11 66.79 30.52 102.72 66.22 27.73 103.10 67.36 27.47 102.91 65.66 29.11 101.65 65.98 29.94 2 0 11.59-999 ?-999 ?-999 ? O2 GOL D 304 mGLN^D 102 102.15 65.44 26.83 102.05 64.48 27.09 100.20 65.91 25.51 99.58 65.83 24.45 101.72 66.01 25.56 102.42 65.33 24.37 2 0 13.64-999 ?-999 ?-999 ? O2 GOL D 304 mGLY^D 103 99.59 65.93 26.70 100.22 65.95 27.48 97.48 67.25 27.13 96.28 67.32 27.34 98.13 65.91 26.82-999.99-999.99-999.99 1 0 14.55-999 ?-999 ?-999 ? C1 GOL C 303 mPHE^D 104 98.27 68.32 27.18 99.24 68.13 27.07 96.74 70.02 26.25 96.81 69.44 25.15 97.72 69.67 27.38 98.82 70.73 27.54 3 0 10.75-999 ?-999 ?-999 ? C1 GOL C 303 mILE^D 105 95.83 70.96 26.51 95.95 71.42 27.39 95.19 71.66 24.11 94.60 71.16 23.14 94.74 71.26 25.55 93.73 72.25 26.14 3 0 9.89-999 ?-999 ?-999 ? O1 GOL C 303 mARG^D 106 96.21 72.52 23.97 96.61 72.84 24.83 97.45 71.90 21.88 97.82 72.15 20.73 96.68 72.96 22.63 97.62 74.17 22.65 2 0 9.34-999 ?-999 ?-999 ? C1 GOL C 303 mSER^D 107 97.78 70.79 22.54 97.42 70.76 23.47 97.96 69.10 20.65 96.74 68.98 20.55 98.59 69.71 21.92 98.87 68.64 22.96 2 0 11.33-999 ?-999 ?-999 ? O3 GOL B 302 mPRO^D 108 98.78 68.70 19.66 99.77 68.72 19.80 97.68 66.81 18.46 97.46 66.26 17.38 98.09 68.28 18.45 99.13 68.54 17.37 3 0 7.86-999 ?-999 ?-999 ? O3 GOL B 302 mLEU^D 109 97.57 66.18 19.63 97.81 66.72 20.43 95.59 64.66 19.72 94.90 65.62 20.09 97.13 64.78 19.67 97.75 64.05 20.85 3 0 9.99-999 ?-999 ?-999 ? O3 GOL B 302 mASN^D 110 95.07 63.49 19.33 95.72 62.85 18.93 93.25 63.29 20.95 94.08 63.10 21.85 93.64 63.19 19.50 93.32 61.76 19.06 2 0 11.68-999 ?-999 ?-999 ? O3 GOL B 302 mGLU^D 111 91.97 63.52 21.17 91.41 63.62 20.34 91.80 62.46 23.46 92.14 62.67 24.62 91.45 63.62 22.52 89.94 63.82 22.48 2 0 14.91-999 ?-999 ?-999 ? O3 GOL B 302 mSER^D 112 91.71 61.23 22.96 91.42 61.19 22.00 93.52 59.84 23.96 93.95 59.37 25.02 92.01 60.05 23.77 91.37 58.80 23.19 2 0 17.16-999 ?-999 ?-999 ? O3 GOL B 302 mGLU^D 113 94.31 60.19 22.95 93.83 60.43 22.11 96.23 61.30 24.12 97.19 61.09 24.86 95.76 60.22 23.10 96.45 60.38 21.74 2 0 15.38-999 ?-999 ?-999 ? O3 GOL B 302 mLYS^D 114 95.53 62.43 24.16 94.87 62.53 23.41 95.49 62.84 26.60 96.37 62.89 27.48 95.75 63.43 25.23 94.89 64.67 25.04 2 0 15.81-999 ?-999 ?-999 ? O3 GOL B 302 mGLN^D 115 94.29 62.30 26.78 93.68 62.40 26.00 95.05 60.64 28.42 95.56 60.65 29.55 93.92 61.63 28.03 92.56 60.94 27.86 2 0 18.82-999 ?-999 ?-999 ? O1 GOL C 303 mARG^D 116 95.47 59.84 27.45 95.03 59.99 26.56 97.85 59.42 28.09 98.45 58.97 29.06 96.50 58.84 27.69 96.63 57.96 26.47 2 0 19.83-999 ?-999 ?-999 ? O3 GOL B 302 mSER^D 117 98.32 60.44 27.38 97.75 60.70 26.60 99.54 61.73 29.16 100.54 61.67 29.90 99.57 61.09 27.75 99.96 62.13 26.71 2 0 16.89-999 ?-999 ?-999 ? O2 GOL D 304 mASN^D 118 98.40 62.32 29.52 97.68 62.34 28.82 98.37 61.86 31.97 99.20 62.02 32.87 98.24 62.89 30.84 96.93 63.66 30.95 2 0 16.76-999 ?-999 ?-999 ? O2 GOL D 304 mLEU^D 119 97.59 60.79 31.91 96.94 60.79 31.15 99.13 59.18 32.97 99.67 59.03 34.06 97.70 59.71 32.89 96.73 58.57 32.58 3 0 18.87-999 ?-999 ?-999 ? O2 GOL D 304 mASN^D 120 99.74 58.94 31.81 99.21 59.18 30.99 102.11 59.29 32.34 103.21 58.85 32.65 101.08 58.36 31.76 101.47 58.03 30.32 2 0 17.04-999 ?-999 ?-999 ? O2 GOL D 304 mASN^D 121 101.77 60.58 32.46 100.86 60.78 32.11 102.13 62.16 34.39 102.60 63.22 34.87 102.66 61.59 33.05 102.92 62.72 32.03 2 0 13.80-999 ?-999 ?-999 ? O2 GOL D 304 mSER^D 122 101.16 61.48 34.99 100.81 60.71 34.46 101.54 61.19 37.38 101.07 60.34 38.15 100.67 61.83 36.30 99.21 61.40 36.42 2 0 15.66-999 ?-999 ?-999 ? C3 GOL D 304 mVAL^D 123 102.82 61.59 37.39 103.00 62.34 36.75 105.01 62.02 38.46 105.04 63.10 37.84 103.88 61.00 38.24 104.53 59.76 37.57 3 0 14.17-999 ?-999 ?-999 ? C3 GOL D 304 mTYR^D 124 105.97 61.65 39.30 105.79 60.81 39.79 108.11 62.27 38.28 108.42 61.14 37.89 107.18 62.45 39.47 107.90 62.04 40.74 3 0 11.54-999 ?-999 ?-999 ? O3 GOL D 304 mILE^D 125 108.55 63.38 37.70 108.08 64.22 37.98 110.74 64.18 37.36 110.46 65.26 37.92 109.63 63.34 36.75 109.21 63.87 35.37 3 0 8.51-999 ?-999 ?-999 ? O3 GOL D 304 mGLY^D 126 111.96 63.68 37.27 112.03 62.87 36.68 113.83 65.34 37.22 113.61 65.54 36.03 113.10 64.25 37.98-999.99-999.99-999.99 1 0 6.72-999 ?-999 ?-999 ? O3 GOL D 304 mPRO^D 127 114.71 66.06 37.91 114.72 65.87 38.89 116.35 66.53 36.07 116.99 65.47 36.13 115.59 67.05 37.29 116.58 67.35 38.41 3 0 3.99-999 ?-999 ?-999 ? O3 GOL D 304 mMETD 128 116.28 67.27 34.97 115.67 68.05 35.04 117.67 68.20 33.18 117.60 68.40 31.97 117.05 66.94 33.78 116.14 66.24 32.78 2 0 -4.06-999 ?-999 ?-999 ? O3 GOL D 304s mPRO^D 129 118.32 69.03 34.01 118.52 68.69 34.93 119.74 70.29 32.41 120.76 69.62 32.58 118.69 70.36 33.53 119.25 71.02 34.78 3 0 3.93-999 ?-999 ?-999 ? C1 GOL D 304 mPRO^D 130 119.48 70.94 31.25 118.65 71.50 31.22 121.54 71.82 30.07 122.51 71.60 29.37 120.44 70.78 30.15 119.55 70.90 28.92 3 0 -5.78-999 ?-999 ?-999 ? C1 GOL D 304s mASN^D 131 121.40 72.90 30.82 120.66 72.84 31.49 123.41 74.13 31.60 124.47 74.65 31.26 122.24 74.08 30.67 121.39 75.29 31.03 2 0 7.72-999 ?-999 ?-999 ? C1 GOL D 304 mGLY^D 132 123.17 73.62 32.80 122.31 73.13 32.86 123.23 73.32 35.08 122.08 72.92 34.88 124.08 73.77 33.92-999.99-999.99-999.99 1 0 9.35-999 ?-999 ?-999 ? C1 GOL D 304 mASP^D 133 123.79 73.38 36.29 124.73 73.73 36.28 121.84 73.85 37.62 121.90 75.00 37.23 123.08 72.97 37.49 123.99 73.15 38.72 2 0 9.42-999 ?-999 ?-999 ? O3 GOL D 304 mHIS^D 134 120.73 73.31 38.12 120.82 72.33 38.29 119.11 74.06 39.86 119.45 73.12 40.59 119.50 74.10 38.40 118.30 73.53 37.64 3 0 7.36-999 ?-999 ?-999 ? O3 GOL D 304 mHIS^D 135 118.38 75.08 40.28 118.36 75.86 39.64 116.23 74.56 41.31 115.69 74.71 40.22 117.66 75.07 41.54 117.66 76.45 42.22 3 0 8.99-999 ?-999 ?-999 ? O3 GOL D 304 mTYR^D 136 115.67 73.93 42.32 116.23 73.90 43.15 113.62 73.77 43.47 114.19 73.79 44.57 114.35 73.34 42.23 114.47 71.79 42.12 3 0 -8.16-999 ?-999 ?-999 ? O3 GOL D 304s mLEU^D 137 112.36 74.16 43.33 112.00 74.14 42.39 110.54 73.54 44.85 109.72 73.16 44.01 111.60 74.56 44.50 110.97 75.93 44.29 3 0 11.13-999 ?-999 ?-999 ? O3 GOL D 304 mILE^D 138 110.58 73.08 46.10 111.41 73.34 46.60 108.64 73.25 47.47 109.14 73.97 48.34 109.51 72.29 46.68 110.03 71.25 47.67 3 0 13.12-999 ?-999 ?-999 ? O3 GOL D 304 mGLN^D 139 107.36 73.23 47.19 107.10 72.68 46.40 105.41 72.99 48.58 104.85 72.19 47.83 106.42 73.98 48.01 105.76 75.07 47.17 2 0 16.02-999 ?-999 ?-999 ? O3 GOL D 304 mVAL^D 140 105.21 73.03 49.90 105.71 73.75 50.36 103.18 72.83 51.25 103.39 73.86 51.88 104.32 72.08 50.59 105.08 71.28 51.66 3 0 18.94-999 ?-999 ?-999 ? O3 GOL D 304 mTYR^D 141 101.98 72.30 51.11 101.97 71.43 50.61 100.13 72.11 52.74 99.94 70.90 52.58 100.79 72.94 51.64 99.78 73.17 50.54 3 0 21.96-999 ?-999 ?-999 ? O3 GOL D 304 mALA^D 142 99.76 72.76 53.84 100.05 73.72 53.86 97.57 72.56 54.79 97.29 73.75 54.67 99.01 72.12 54.91 99.57 72.52 56.26 2 0 25.51-999 ?-999 ?-999 ? O3 GOL D 304 mLEU^D 143 96.67 71.59 54.81 97.02 70.68 55.02 94.38 71.59 55.76 94.75 70.82 56.63 95.27 71.87 54.55 94.81 71.07 53.33 3 0 26.62-999 ?-999 ?-999 ? O1 GOL C 303 mASP^D 144 93.21 72.22 55.79 93.06 72.83 55.02 91.20 70.95 56.57 90.34 70.65 57.40 92.26 72.03 56.89 91.61 73.37 57.26 2 0 29.08-999 ?-999 ?-999 ? O1 GOL C 303 mILE^D 145 91.28 70.39 55.36 92.00 70.76 54.78 91.21 68.03 54.66 92.39 68.11 54.32 90.39 69.32 54.94 89.46 69.82 53.78 3 0 28.52-999 ?-999 ?-999 ? O1 GOL C 303 mPRO^D 146 90.63 66.82 54.87 89.66 66.79 55.12 91.57 65.05 53.31 92.47 64.26 53.01 91.51 65.65 54.73 90.90 64.63 55.70 3 0 29.73-999 ?-999 ?-999 ? O1 GOL C 303 mLYS^D 147 90.61 65.40 52.46 89.96 66.08 52.79 90.16 65.76 50.04 89.07 66.32 50.05 90.56 64.78 51.14 89.63 63.55 51.16 2 0 27.40-999 ?-999 ?-999 ? O1 GOL C 303 mLEU^D 148 91.07 65.98 49.10 91.95 65.53 49.26 90.00 65.96 46.92 90.31 64.78 46.75 90.78 66.80 47.93 92.08 67.30 47.34 3 0 23.67-999 ?-999 ?-999 ? O1 GOL C 303 mALA^D 149 89.00 66.54 46.27 88.80 67.48 46.56 89.02 65.88 43.86 88.67 66.64 42.96 88.26 65.82 45.21 86.82 66.34 45.08 2 0 22.99-999 ?-999 ?-999 ? O1 GOL C 303 mLEU^D 150 90.08 65.07 43.74 90.27 64.51 44.54 91.12 63.62 42.07 91.62 62.81 42.85 90.88 65.05 42.52 92.23 65.73 42.75 3 0 20.90-999 ?-999 ?-999 ? O1 GOL C 303 mLYS^D 151 90.76 63.29 40.83 90.17 63.96 40.38 92.14 62.36 39.06 91.87 63.30 38.31 91.22 62.04 40.23 90.05 61.14 39.75 2 0 21.87-999 ?-999 ?-999 ? O1 GOL C 303 mALA^D 152 93.23 61.61 38.94 93.41 60.99 39.71 93.19 61.50 36.54 92.32 60.63 36.57 94.08 61.71 37.77 95.19 60.66 37.82 2 0 20.51-999 ?-999 ?-999 ? O1 GOL C 303 mPRO^D 153 93.37 62.30 35.47 92.71 62.13 34.74 93.90 64.70 35.76 92.80 65.13 35.38 94.39 63.32 35.31 94.64 63.32 33.80 3 0 18.07-999 ?-999 ?-999 ? O1 GOL C 303 mPHE^D 154 94.72 65.39 36.54 95.52 64.88 36.84 95.71 67.57 36.84 96.80 67.00 36.88 94.43 66.76 36.92 93.80 66.82 38.32 3 0 15.61-999 ?-999 ?-999 ? O1 GOL C 303 mPHE^D 155 95.59 68.89 36.71 94.65 69.22 36.69 96.98 70.62 37.83 96.12 70.70 38.70 96.77 69.76 36.60 96.67 70.65 35.36 3 0 12.76-999 ?-999 ?-999 ? O1 GOL C 303 mLEU^D 156 98.14 71.26 37.91 98.78 71.02 37.17 97.31 73.20 39.26 97.10 73.60 40.40 98.45 72.22 38.96 99.71 73.01 38.58 3 0 12.69-999 ?-999 ?-999 ? O1 GOL C 303 mGLY^D 157 96.59 73.62 38.23 96.86 73.24 37.34 94.32 73.92 39.15 93.56 74.59 39.86 95.50 74.57 38.44-999.99-999.99-999.99 1 0 10.79-999 ?-999 ?-999 ? O1 GOL C 303 mASP^D 158 94.17 72.61 38.94 94.82 72.22 38.30 93.51 71.65 41.06 92.64 71.75 41.94 93.13 71.85 39.60 92.92 70.53 38.89 2 0 13.70-999 ?-999 ?-999 ? O1 GOL C 303 mLEU^D 159 94.80 71.41 41.31 95.38 71.35 40.50 94.92 72.55 43.46 94.29 72.48 44.52 95.30 71.27 42.68 96.82 71.08 42.71 3 0 16.14-999 ?-999 ?-999 ? O1 GOL C 303 mHIS^D 160 95.29 73.70 42.88 95.78 73.59 42.01 93.54 75.28 43.60 93.12 75.81 44.63 95.01 74.99 43.48 95.73 76.11 42.74 3 0 15.18-999 ?-999 ?-999 ? O1 GOL C 303 mASP^D 161 92.75 74.93 42.60 93.21 74.56 41.79 90.81 74.43 44.01 90.11 75.05 44.80 91.30 75.09 42.72 90.54 74.50 41.52 2 0 15.28-999 ?-999 ?-999 ? O1 GOL C 303 mLYS^D 162 91.20 73.17 44.23 91.85 72.81 43.56 91.28 72.87 46.70 90.63 72.72 47.74 90.70 72.42 45.37 90.92 70.92 45.17 2 0 18.78-999 ?-999 ?-999 ? O1 GOL C 303 mMETD 163 92.48 73.42 46.68 92.91 73.47 45.78 92.63 75.32 48.26 92.93 75.79 49.35 93.10 73.92 47.90 94.61 73.95 47.77 2 0 19.93-999 ?-999 ?-999 ? O1 GOL C 303 mARG^D 164 91.93 76.00 47.36 91.68 75.49 46.53 90.74 77.48 48.89 89.85 76.65 49.10 91.57 77.39 47.60 90.87 78.00 46.39 2 0 19.16-999 ?-999 ?-999 ? O1 GOL C 303 mASN^D 165 91.07 78.45 49.76 91.83 79.01 49.43 90.64 77.58 52.10 89.94 77.53 53.11 90.40 78.67 51.05 88.88 78.89 50.89 2 0 22.64-999 ?-999 ?-999 ? O1 GOL C 303 mHIS^D 166 91.59 76.68 51.85 92.10 76.84 51.00 93.30 75.53 53.22 93.69 74.62 53.95 91.85 75.58 52.78 91.47 74.23 52.16 3 0 24.37-999 ?-999 ?-999 ? O1 GOL C 303 mILE^D 167 94.10 76.50 52.79 93.64 77.20 52.25 95.79 77.18 54.46 95.58 78.39 54.61 95.52 76.51 53.12 96.37 77.17 52.02 3 0 24.12-999 ?-999 ?-999 ? O1 GOL C 303 mILE^D 168 96.27 76.40 55.42 96.41 75.45 55.15 98.04 77.29 56.90 98.39 78.12 57.74 96.57 76.92 56.74 96.05 75.98 57.90 3 0 27.63-999 ?-999 ?-999 ? O1 GOL C 303 mALA^D 169 98.92 76.71 56.08 98.53 75.99 55.51 101.06 76.60 54.83 100.54 75.72 54.13 100.32 77.13 56.06 101.04 76.71 57.35 2 0 26.57-999 ?-999 ?-999 ? O3 GOL D 304 mILE^D 170 102.26 77.13 54.58 102.58 77.75 55.30 104.54 76.82 53.72 105.05 77.76 54.33 103.05 76.85 53.38 102.79 77.91 52.27 3 0 22.91-999 ?-999 ?-999 ? O3 GOL D 304 mGLY^D 171 105.22 75.73 53.34 104.65 75.03 52.90 107.34 75.48 52.20 106.81 74.87 51.26 106.65 75.59 53.55-999.99-999.99-999.99 1 0 21.11-999 ?-999 ?-999 ? O3 GOL D 304 mARG^D 172 108.53 76.06 52.10 108.87 76.48 52.94 110.64 75.55 51.12 111.24 75.86 52.15 109.25 76.07 50.86 109.33 77.50 50.31 2 0 17.98-999 ?-999 ?-999 ? O3 GOL D 304 mLYS^D 173 111.18 74.77 50.19 110.56 74.49 49.46 113.15 74.20 48.89 112.49 73.66 48.00 112.57 74.39 50.28 112.71 73.11 51.11 2 0 16.22-999 ?-999 ?-999 ? O3 GOL D 304 mGLU^D 174 114.38 74.67 48.68 114.79 75.14 49.47 116.16 73.46 47.53 116.68 73.24 48.62 115.06 74.49 47.41 115.66 75.80 46.91 2 0 13.40-999 ?-999 ?-999 ? O3 GOL D 304 mPHE^D 175 116.49 72.82 46.42 115.86 72.96 45.66 118.29 72.18 44.95 117.67 72.76 44.06 117.67 71.98 46.32 117.35 70.49 46.58 3 0 12.11-999 ?-999 ?-999 ? O3 GOL D 304 mLEU^D 176 119.51 71.68 44.78 119.90 71.28 45.61 120.26 70.34 42.89 120.22 69.33 43.60 120.21 71.73 43.51 121.63 72.23 43.73 3 0 10.53-999 ?-999 ?-999 ? O3 GOL D 304 mTYR^D 177 120.33 70.30 41.56 120.13 71.17 41.11 121.69 69.39 39.74 121.57 70.42 39.06 120.68 69.07 40.84 119.45 68.37 40.27 3 0 8.66-999 ?-999 ?-999 ? O3 GOL D 304 mLYS^D 178 122.68 68.51 39.59 122.61 67.73 40.21 123.24 68.69 37.19 122.19 68.12 36.89 123.77 68.67 38.62 124.80 67.53 38.78 2 0 10.06-999 ?-999 ?-999 ? O3 GOL D 304 mGLN^D 179 123.96 69.37 36.30 124.75 69.85 36.69 123.53 67.96 34.35 124.31 67.09 34.73 123.62 69.39 34.89 124.68 70.15 34.13 2 0 9.07-999 ?-999 ?-999 ? O3 GOL D 304 mPHE^D 180 122.55 67.73 33.48 121.98 68.53 33.30 123.13 66.28 31.53 124.06 65.46 31.44 122.33 66.44 32.84 120.82 66.25 32.61 3 0 8.76-999 ?-999 ?-999 ? O3 GOL D 304