REMARK SOURCE hebe.pdb HEADER UNKNOWN FUNCTION 03-NOV-09 3KJJ COMPND NMB1025 PROTEIN; COMPND 3 CHAIN: A, B, C, D, E, F, G, H, I, J, K, L; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: NEISSERIA MENINGITIDIS SEROGROUP B; SOURCE 3 ORGANISM_TAXID: 491; SOURCE 4 STRAIN: MC58; SOURCE 5 GENE: NMB1025; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 7 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 8 EXPRESSION_SYSTEM_STRAIN: B834(DE3); SOURCE 9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 10 EXPRESSION_SYSTEM_PLASMID: OPPF1359 AUTHOR J.REN,S.SAINSBURY,R.J.OWENS,OXFORD PROTEIN PRODUCTION FACILITY (OPPF) HET MSE A 1 8 HET MSE A 27 8 HET MSE A 70 8 HET MSE A 76 8 HET MSE B 1 8 HET MSE B 27 8 HET MSE B 70 8 HET MSE B 76 8 HET MSE C 1 8 HET MSE C 27 8 HET MSE C 70 8 HET MSE C 76 8 HET MSE D 1 8 HET MSE D 27 8 HET MSE D 70 8 HET MSE D 76 8 HET MSE E 1 8 HET MSE E 27 8 HET MSE E 70 8 HET MSE E 76 8 HET MSE F 1 8 HET MSE F 27 8 HET MSE F 70 8 HET MSE F 76 8 HET MSE G 1 8 HET MSE G 27 8 HET MSE G 70 8 HET MSE G 76 8 HET MSE H 1 8 HET MSE H 27 8 HET MSE H 70 8 HET MSE H 76 8 HET MSE I 1 8 HET MSE I 27 8 HET MSE I 70 8 HET MSE I 76 8 HET MSE J 1 8 HET MSE J 27 8 HET MSE J 70 8 HET MSE J 76 8 HET MSE K 1 8 HET MSE K 27 8 HET MSE K 70 8 HET MSE K 76 8 HET MSE L 1 8 HET MSE L 27 8 HET MSE L 70 8 HET MSE L 76 8 HET GOL A 951 6 HET GOL B 950 6 SITE 1 AC1 5 HIS A 59 ASP A 116 HOH A 156 HOH A 580 SITE 1 AC2 5 ASP A 2 HIS B 59 ARG B 115 ASP B 116 >MET?A 1 79.54 97.03 14.59 79.76 93.84 14.92 79.65 95.43 14.75 2 0 8.78 -999 ? O3 GOL B 950 >ASP.A 2 77.60 101.43 13.79 78.99 102.39 12.50 78.29 101.91 13.15 2 0 -4.29 -999 ? O1 GOL B 950s >ILE^A 3 77.97 101.60 19.53 78.75 101.05 20.51 78.36 101.33 20.02 3 0 6.64 -999 ? O1 GOL B 950 >ARG^A 4 70.33 104.40 17.75 67.40 105.26 17.36 68.87 104.83 17.56 2 0 14.77 -999 ? O1 GOL B 950 >TYR^A 5 76.11 105.25 23.03 78.64 104.19 22.48 77.37 104.72 22.76 3 0 8.91 -999 ? O1 GOL B 950 >PHE^A 6 69.05 103.94 22.93 68.98 102.55 20.48 69.01 103.24 21.70 3 0 14.53 -999 ? O1 GOL B 950 >GLY^A 7 69.61 107.98 27.42 70.31 107.74 27.09 69.96 107.86 27.25 1 0 17.85 -999 ? O1 GOL B 950 >THR^A 8 73.29 108.86 27.83 74.88 108.71 26.37 74.09 108.79 27.10 2 0 14.06 -999 ? O1 GOL B 950 >THR.A 9 74.49 110.45 31.04 73.79 109.17 32.67 74.14 109.81 31.85 2 0 20.01 -999 ? O1 GOL B 950 >PRO.A 10 77.12 113.43 32.84 77.38 111.45 31.84 77.25 112.44 32.34 3 0 19.71 -999 ? O1 GOL B 950 >ARG.A 11 77.77 107.13 37.40 77.80 109.40 39.50 77.79 108.26 38.45 2 0 25.28 -999 ? O1 GOL B 950 >TYR.A 12 74.67 105.16 33.53 72.53 106.29 34.92 73.60 105.73 34.23 3 0 20.90 -999 ? O1 GOL B 950 >SER^A 13 73.78 105.12 29.01 74.89 105.92 27.00 74.34 105.52 28.01 2 0 13.93 -999 ? O1 GOL B 950 >GLU^A 14 68.92 105.33 30.79 68.88 104.80 32.85 68.90 105.07 31.82 2 0 22.02 -999 ? O1 GOL B 950 >ALA^A 15 70.59 101.47 26.58 69.26 101.47 25.90 69.93 101.47 26.24 2 0 16.83 -999 ? O1 GOL B 950 >VAL^A 16 73.34 100.55 24.14 75.45 100.93 24.75 74.40 100.74 24.44 3 0 12.43 -999 ? O1 GOL B 950 >GLY^A 17 72.79 98.79 20.81 73.49 99.21 20.87 73.14 99.00 20.84 1 0 11.99 -999 ? O1 GOL B 950 >ALA^A 18 75.27 97.10 18.47 76.67 97.04 19.07 75.97 97.07 18.77 2 0 9.61 -999 ? O1 GOL B 950 >ASN.A 19 75.88 93.82 15.38 75.90 92.81 13.49 75.89 93.31 14.43 2 0 11.97 -999 ? O3 GOL B 950 >GLY.A 20 71.07 93.64 16.71 71.61 93.88 17.26 71.34 93.76 16.98 1 0 9.42 -999 ? O1 GOL A 951 >LEU^A 21 73.27 92.76 20.90 73.78 90.69 21.27 73.52 91.73 21.08 3 0 12.35 -999 ? O1 GOL A 951 >ILE^A 22 69.21 95.99 23.17 68.11 96.71 22.85 68.66 96.35 23.01 3 0 11.75 -999 ? O1 GOL A 951 >PHE^A 23 74.65 94.87 25.95 75.83 92.62 24.78 75.24 93.75 25.37 3 0 15.99 -999 ? O1 GOL B 950 >LEU^A 24 69.08 97.51 29.61 67.28 97.88 28.47 68.18 97.69 29.04 3 0 16.69 -999 ? O1 GOL A 951 >SER.A 25 71.97 99.54 32.29 73.19 101.64 32.20 72.58 100.59 32.25 2 0 19.33 -999 ? O1 GOL B 950 >GLY.A 26 70.93 98.01 35.60 70.77 98.76 35.19 70.85 98.38 35.39 1 0 23.26 -999 ? O1 GOL A 951 >MET?A 27 67.47 99.42 36.17 66.69 101.03 33.10 67.08 100.22 34.63 2 0 21.36 -999 ? O1 GOL A 951 >VAL.A 28 66.89 100.51 39.74 68.82 101.45 40.17 67.85 100.98 39.96 3 0 27.44 -999 ? O1 GOL A 951 >PRO.A 29 64.18 99.77 42.90 64.28 101.29 41.28 64.23 100.53 42.09 3 0 28.76 -999 ? O1 GOL A 951 >GLU.A 30 63.53 105.53 38.71 63.38 106.38 36.77 63.45 105.95 37.74 2 0 27.10 -999 ? O1 GOL A 951 >ASN.A 31 57.89 104.45 41.84 58.00 106.12 40.53 57.94 105.28 41.19 2 0 30.19 -999 ? O3 GOL A 951 >GLY.A 32 57.84 102.05 45.60 58.52 102.46 45.73 58.18 102.26 45.66 1 0 32.73 -999 ? O3 GOL A 951 >GLU.A 33 59.31 100.78 51.44 59.33 102.22 52.99 59.32 101.50 52.21 2 0 39.66 -999 ? O1 GOL A 951 >THR~A 34 58.41 96.93 48.91 56.25 96.69 48.97 57.33 96.81 48.94 2 0 34.37 -999 ? O3 GOL A 951 >ALA~A 35 60.21 94.43 46.66 60.71 93.06 47.09 60.46 93.75 46.88 2 0 31.73 -999 ? C2 GOL A 951 >ALA~A 36 57.00 93.87 44.65 55.69 93.30 45.22 56.35 93.59 44.94 2 0 30.13 -999 ? O3 GOL A 951 >GLU~A 37 54.71 98.51 45.84 54.48 99.65 47.65 54.60 99.08 46.75 2 0 34.01 -999 ? O3 GOL A 951 >GLN~A 38 61.11 99.18 45.18 62.89 99.41 46.32 62.00 99.30 45.75 2 0 32.30 -999 ? O1 GOL A 951 >THR~A 39 60.10 95.12 40.85 60.41 93.00 41.18 60.26 94.06 41.01 2 0 25.87 -999 ? C2 GOL A 951 >ALA~A 40 57.04 96.47 39.02 55.67 96.80 39.64 56.36 96.63 39.33 2 0 25.44 -999 ? O3 GOL A 951 >ASP~A 41 59.13 100.80 39.74 59.95 102.61 39.02 59.54 101.70 39.38 2 0 27.00 -999 ? O1 GOL A 951 >VAL~A 42 62.01 98.33 37.42 63.80 97.41 38.28 62.91 97.87 37.85 3 0 23.80 -999 ? O1 GOL A 951 >LEU~A 43 59.25 95.03 35.17 59.93 93.00 35.59 59.59 94.01 35.38 3 0 20.41 -999 ? C2 GOL A 951 >ALA~A 44 58.19 99.17 33.59 57.22 100.03 34.42 57.70 99.60 34.01 2 0 21.81 -999 ? O3 GOL A 951 >GLN~A 45 62.21 102.36 34.99 63.81 102.60 36.38 63.01 102.48 35.69 2 0 24.62 -999 ? O1 GOL A 951 >ILE~A 46 62.97 96.50 31.69 63.68 95.41 32.13 63.33 95.96 31.91 3 0 17.58 -999 ? O1 GOL A 951 >ASP~A 47 58.21 97.94 29.44 57.58 95.96 29.95 57.89 96.95 29.70 2 0 15.96 -999 ? O3 GOL A 951 >ARG~A 48 61.47 105.01 28.71 62.76 107.62 29.74 62.11 106.32 29.23 2 0 23.01 -999 ? O1 GOL A 951 >TRP~A 49 65.10 102.77 30.33 66.12 105.88 28.16 65.61 104.33 29.25 3 0 20.39 -999 ? O1 GOL A 951 >LEU~A 50 62.55 96.88 25.76 63.76 95.20 26.56 63.15 96.04 26.16 3 0 12.46 -999 ? O1 GOL A 951 >ALA~A 51 60.45 99.93 23.24 59.16 100.50 23.82 59.81 100.22 23.53 2 0 13.93 -999 ? C1 GOL A 951 >GLU~A 52 64.21 104.91 23.30 63.10 106.34 22.21 63.66 105.62 22.75 2 0 18.03 -999 ? C1 GOL A 951 >CYH~A 53 65.34 100.50 21.24 67.05 100.78 23.42 66.19 100.64 22.33 2 0 14.42 -999 ? O1 GOL A 951 >GLY.A 54 63.00 98.56 18.89 63.22 98.29 19.63 63.11 98.42 19.26 1 0 9.63 -999 ? C1 GOL A 951 >SER.A 55 62.64 95.60 21.26 63.97 93.98 22.50 63.30 94.79 21.88 2 0 8.35 -999 ? O1 GOL A 951 >ASP~A 56 58.85 94.11 23.36 58.70 92.54 21.94 58.77 93.32 22.65 2 0 7.29 -999 ? O3 GOL A 951 >LYS~A 57 60.12 91.76 26.82 54.50 91.88 29.78 57.31 91.82 28.30 2 0 14.99 -999 ? O3 GOL A 951 >ALA~A 58 59.40 88.87 24.43 58.13 88.71 23.59 58.76 88.79 24.01 2 0 8.17 -999 ? O3 GOL A 951 >HIS.A 59 61.94 90.04 20.65 60.41 89.57 19.30 61.18 89.81 19.97 3 0 -4.51 -999 ? C2 GOL A 951s >VAL^A 60 64.89 89.53 26.16 64.62 90.39 28.16 64.76 89.96 27.16 3 0 11.77 -999 ? O1 GOL A 951 >LEU^A 61 69.11 87.47 25.23 69.54 87.49 23.10 69.32 87.48 24.17 3 0 11.03 -999 ? O1 GOL A 951 >ASP^A 62 70.72 87.31 29.20 71.79 86.69 30.89 71.25 87.00 30.05 2 0 18.03 -999 ? O1 GOL A 951 >ALA^A 63 68.30 88.94 32.74 66.82 88.93 33.03 67.56 88.93 32.89 2 0 17.93 -999 ? O1 GOL A 951 >VAL^A 64 70.43 89.30 35.88 72.59 89.13 35.96 71.51 89.22 35.92 3 0 22.17 -999 ? O1 GOL A 951 >ILE^A 65 67.09 89.38 39.27 65.77 89.16 39.17 66.43 89.27 39.22 3 0 23.93 -999 ? O1 GOL A 951 >TYR^A 66 72.37 92.30 40.83 74.30 91.84 38.85 73.34 92.07 39.84 3 0 26.61 -999 ? O1 GOL A 951 >LEU^A 67 67.39 90.42 45.76 65.52 89.65 44.99 66.45 90.03 45.37 3 0 30.03 -999 ? O1 GOL A 951 >ARG.A 68 68.78 96.46 50.74 71.00 97.92 52.30 69.89 97.19 51.52 2 0 38.58 -999 ? O1 GOL A 951 >ASP~A 69 67.01 91.22 51.50 66.77 89.97 53.19 66.89 90.59 52.35 2 0 37.83 -999 ? O1 GOL A 951 >MET?A 70 67.30 87.06 49.08 67.61 85.03 46.20 67.46 86.04 47.64 2 0 31.31 -999 ? O2 GOL A 951 >GLY~A 71 64.31 86.96 51.47 64.40 87.38 50.76 64.36 87.17 51.12 1 0 35.91 -999 ? O2 GOL A 951 >ASP~A 72 62.83 90.47 48.47 62.65 91.81 50.10 62.74 91.14 49.28 2 0 34.59 -999 ? O1 GOL A 951 >TYR~A 73 64.04 84.03 45.38 64.61 82.49 43.10 64.32 83.26 44.24 3 0 29.03 -999 ? O2 GOL A 951 >ALA~A 74 59.29 84.97 46.37 58.56 84.24 47.51 58.92 84.61 46.94 2 0 32.02 -999 ? O2 GOL A 951 >GLU~A 75 57.26 90.80 47.36 57.60 92.13 48.98 57.43 91.46 48.17 2 0 33.61 -999 ? C2 GOL A 951 >MET?A 76 60.13 89.58 43.26 62.40 88.69 40.47 61.26 89.13 41.87 2 0 24.81 -999 ? O2 GOL A 951 >ASN~A 77 59.57 84.92 41.93 61.61 84.32 41.83 60.59 84.62 41.88 2 0 26.30 -999 ? O2 GOL A 951 >GLY~A 78 55.55 86.90 41.74 56.13 87.37 41.35 55.84 87.13 41.55 1 0 26.53 -999 ? O3 GOL A 951 >VAL~A 79 55.86 90.21 39.88 56.11 92.29 40.56 55.98 91.25 40.22 3 0 24.94 -999 ? O3 GOL A 951 >TRP~A 80 60.47 86.15 36.44 62.93 88.40 34.34 61.70 87.27 35.39 3 0 19.67 -999 ? O2 GOL A 951 >ASP~A 81 55.97 84.60 37.67 57.59 83.42 38.45 56.78 84.01 38.06 2 0 23.31 -999 ? O2 GOL A 951 >ALA~A 82 53.37 87.79 35.75 52.58 88.63 36.74 52.97 88.21 36.25 2 0 22.00 -999 ? O3 GOL A 951 >TRP~A 83 56.67 93.24 32.68 60.28 92.10 31.60 58.47 92.67 32.14 3 0 17.03 -999 ? C2 GOL A 951 >VAL~A 84 57.51 87.74 31.37 58.55 86.26 32.61 58.03 87.00 31.99 3 0 16.50 -999 ? O2 GOL A 951 >ALA.A 85 56.36 86.90 27.86 57.05 87.38 26.59 56.71 87.14 27.22 2 0 11.36 -999 ? O3 GOL A 951 >ALA.A 86 54.93 83.40 28.15 53.48 83.04 28.45 54.20 83.22 28.30 2 0 15.15 -999 ? O3 GOL A 951 >GLY.A 87 56.79 80.78 26.12 57.09 81.47 26.37 56.94 81.12 26.24 1 0 13.03 -999 ? O2 GOL A 951 >ARG.A 88 58.34 84.87 22.13 60.49 85.26 19.97 59.42 85.07 21.05 2 0 4.82 -999 ? O2 GOL A 951 >THR.A 89 61.10 83.75 28.94 59.98 82.36 30.16 60.54 83.06 29.55 2 0 15.35 -999 ? O2 GOL A 951 >PRO.A 90 64.16 86.57 30.48 64.07 84.69 29.25 64.12 85.63 29.87 3 0 14.63 -999 ? O2 GOL A 951 >ALA^A 91 67.94 83.16 30.53 69.30 83.18 29.85 68.62 83.17 30.19 2 0 16.93 -999 ? O1 GOL A 951 >ARG^A 92 64.77 85.21 36.26 63.54 84.64 39.02 64.16 84.93 37.64 2 0 23.62 -999 ? O2 GOL A 951 >ALA^A 93 70.12 84.41 37.21 71.63 84.40 37.02 70.87 84.41 37.12 2 0 23.77 -999 ? O1 GOL A 951 >CYH^A 94 69.19 85.85 40.59 67.29 86.62 42.41 68.24 86.24 41.50 2 0 27.37 -999 ? O1 GOL A 951 >VAL^A 95 71.86 86.69 43.18 73.64 86.71 41.86 72.75 86.70 42.52 3 0 28.89 -999 ? O1 GOL A 951 >GLU^A 96 71.35 88.88 48.94 71.56 88.10 50.88 71.46 88.49 49.91 2 0 36.42 -999 ? O1 GOL A 951 >ALA.A 97 73.92 91.90 46.28 74.68 92.06 44.97 74.30 91.98 45.63 2 0 31.84 -999 ? O1 GOL A 951 >ARG.A 98 74.14 95.69 51.59 73.31 96.01 54.48 73.72 95.85 53.04 2 0 40.85 -999 ? O1 GOL A 951 >LEU.A 99 71.43 98.25 44.92 70.63 96.43 43.93 71.03 97.34 44.42 3 0 31.03 -999 ? O1 GOL A 951 >ALA.A 100 73.86 101.92 45.42 73.94 102.78 44.15 73.90 102.35 44.78 2 0 30.13 -999 ? O1 GOL B 950 >ARG.A 101 69.55 106.30 46.10 71.07 108.36 44.36 70.31 107.33 45.23 2 0 31.48 -999 ? O1 GOL B 950 >PRO.A 102 70.37 103.33 51.95 70.19 101.72 50.38 70.28 102.52 51.17 3 0 37.91 -999 ? O1 GOL B 950 >GLU.A 103 65.94 103.91 50.72 67.13 104.97 49.34 66.54 104.44 50.03 2 0 37.28 -999 ? O1 GOL B 950 >TRP.A 104 66.77 102.45 45.29 69.86 103.39 43.05 68.31 102.92 44.17 3 0 32.09 -999 ? O1 GOL A 951 >ARG.A 105 62.99 96.23 49.91 64.48 94.93 52.26 63.73 95.58 51.08 2 0 37.12 -999 ? O1 GOL A 951 >VAL^A 106 66.10 95.18 43.47 64.25 94.57 42.39 65.17 94.87 42.93 3 0 27.98 -999 ? O1 GOL A 951 >GLU^A 107 70.13 97.02 39.24 71.90 98.15 39.62 71.02 97.59 39.43 2 0 27.11 -999 ? O1 GOL B 950 >ILE^A 108 66.09 93.70 36.56 64.99 92.78 36.50 65.54 93.24 36.53 3 0 21.47 -999 ? O1 GOL A 951 >LYS^A 109 70.14 94.04 34.15 75.29 92.23 34.25 72.71 93.13 34.20 2 0 22.68 -999 ? O1 GOL A 951 >ILE^A 110 67.58 93.69 30.26 66.49 92.67 30.23 67.03 93.18 30.25 3 0 15.73 -999 ? O1 GOL A 951 >THR^A 111 70.43 91.88 27.42 72.41 91.06 27.04 71.42 91.47 27.23 2 0 15.10 -999 ? O1 GOL A 951 >ALA^A 112 67.94 91.97 24.54 66.79 92.91 24.80 67.36 92.44 24.67 2 0 10.65 -999 ? O1 GOL A 951 >VAL^A 113 67.61 91.74 20.77 67.31 90.19 19.26 67.46 90.96 20.02 3 0 6.67 -999 ? O1 GOL A 951 >LYS.A 114 66.34 94.44 18.41 65.81 98.01 14.17 66.08 96.23 16.29 2 0 9.20 -999 ? O1 GOL A 951 >ARG.A 115 60.25 93.57 18.60 57.99 95.65 18.37 59.12 94.61 18.48 2 0 6.97 -999 ? O3 GOL A 951 >ASP.A 116 64.30 91.43 12.00 66.20 90.68 12.55 65.25 91.06 12.28 2 0 -4.79 -999 ? O1 GOL A 951s >HIS.B 0 81.71 86.32 10.57 82.52 88.26 10.50 82.12 87.29 10.54 3 0 14.76 -999 ? O3 GOL B 950 >MET?B 1 81.64 82.44 14.82 78.67 83.69 15.06 80.16 83.07 14.94 2 0 17.00 -999 ? O1 GOL A 951 >ASP.B 2 86.43 82.01 13.99 86.66 80.39 12.64 86.54 81.20 13.31 2 0 21.22 -999 ? O3 GOL B 950 >ILE^B 3 86.38 81.83 19.85 85.58 81.43 20.89 85.98 81.63 20.37 3 0 20.74 -999 ? O3 GOL B 950 >ARG^B 4 89.88 85.43 16.19 90.57 86.76 13.50 90.23 86.09 14.84 2 0 15.98 -999 ? O3 GOL B 950 >TYR^B 5 90.61 81.93 23.33 88.43 80.18 23.04 89.52 81.06 23.19 3 0 22.81 -999 ? O3 GOL B 950 >PHE^B 6 93.05 88.60 22.89 92.16 89.14 20.30 92.61 88.87 21.60 3 0 16.74 -999 ? O3 GOL B 950 >GLY^B 7 96.01 86.48 27.68 95.52 85.90 27.34 95.77 86.19 27.51 1 0 23.24 -999 ? O3 GOL B 950 >THR^B 8 95.03 82.83 28.17 94.17 81.41 26.75 94.60 82.12 27.46 2 0 25.55 -999 ? O3 GOL B 950 >THR.B 9 95.84 81.19 31.52 95.12 82.67 32.95 95.48 81.93 32.23 2 0 28.57 -999 ? O3 GOL B 950 >PRO.B 10 97.19 77.38 33.45 95.34 78.28 32.60 96.26 77.83 33.02 3 0 32.40 -999 ? O3 GOL B 950 >ARG.B 11 91.41 80.42 38.07 93.26 79.37 40.29 92.33 79.89 39.18 2 0 35.21 -999 ? O3 GOL B 950 >TYR.B 12 91.24 83.80 33.84 93.35 85.12 35.09 92.30 84.46 34.47 3 0 27.52 -999 ? O3 GOL B 950 >SER^B 13 91.49 84.34 29.30 91.69 82.92 27.32 91.59 83.63 28.31 2 0 23.78 -999 ? O3 GOL B 950 >GLU^B 14 94.20 88.44 30.81 93.69 89.03 32.79 93.95 88.74 31.80 2 0 24.16 -999 ? O3 GOL B 950 >ALA^B 15 89.93 88.65 26.65 90.52 89.80 25.89 90.23 89.23 26.27 2 0 17.54 -999 ? O3 GOL B 950 >VAL^B 16 87.83 86.54 24.31 87.06 84.58 24.94 87.45 85.56 24.62 3 0 19.16 -999 ? O3 GOL B 950 >GLY^B 17 86.46 87.73 20.96 86.53 86.93 20.96 86.49 87.33 20.96 1 0 15.35 -999 ? O3 GOL B 950 >ALA^B 18 83.88 86.32 18.53 83.24 85.08 19.18 83.56 85.70 18.86 2 0 17.04 -999 ? O3 GOL B 950 >ASN.B 19 80.64 87.28 15.22 79.59 88.29 13.64 80.12 87.79 14.43 2 0 13.91 -999 ? O3 GOL B 950 >GLY.B 20 82.74 91.51 16.62 82.71 90.97 17.20 82.72 91.24 16.91 1 0 10.25 -999 ? O3 GOL B 950 >LEU^B 21 80.82 90.32 20.92 78.71 90.83 20.91 79.76 90.58 20.91 3 0 13.41 -999 ? O3 GOL B 950 >ILE^B 22 85.60 92.36 22.93 86.72 93.04 22.56 86.16 92.70 22.75 3 0 12.25 -999 ? O3 GOL B 950 >PHE^B 23 82.23 88.40 26.22 79.67 88.37 25.07 80.95 88.38 25.65 3 0 17.53 -999 ? O3 GOL B 950 >LEU^B 24 87.36 92.19 29.57 88.47 93.56 28.26 87.92 92.88 28.92 3 0 17.28 -999 ? O3 GOL B 950 >SER.B 25 87.62 88.71 32.39 89.01 86.67 32.36 88.32 87.69 32.37 2 0 23.75 -999 ? O3 GOL B 950 >GLY.B 26 86.75 90.67 35.52 87.48 90.40 35.17 87.12 90.53 35.34 1 0 23.87 -999 ? O3 GOL B 950 >MET?B 27 89.68 92.99 36.02 91.60 92.74 32.94 90.64 92.87 34.48 2 0 21.80 -999 ? O3 GOL B 950 >VAL.B 28 90.98 93.31 39.55 91.03 91.16 40.02 91.01 92.24 39.78 3 0 27.88 -999 ? O3 GOL B 950 >PRO.B 29 91.77 96.10 42.71 92.94 95.29 40.99 92.35 95.69 41.85 3 0 29.25 -999 ? O3 GOL B 950 >GLU.B 30 97.25 93.53 38.44 97.92 93.32 36.43 97.59 93.42 37.44 2 0 27.23 -999 ? O3 GOL B 950 >ASN.B 31 98.82 99.24 41.08 100.42 98.32 40.02 99.62 98.78 40.55 2 0 30.06 -999 ? O2 GOL B 950 >GLY.B 32 96.74 100.82 44.64 96.86 100.06 44.90 96.80 100.44 44.77 1 0 32.13 -999 ? O2 GOL B 950 >GLU.B 33 96.04 100.18 50.41 97.72 98.91 50.24 96.88 99.55 50.32 2 0 37.94 -999 ? O2 GOL B 950 >THR~B 34 92.24 103.21 47.91 93.09 105.22 47.79 92.66 104.22 47.85 2 0 33.82 -999 ? O2 GOL B 950 >ALA~B 35 89.07 102.74 45.86 87.65 103.13 46.28 88.36 102.94 46.07 2 0 31.52 -999 ? O2 GOL B 950 >ALA~B 36 90.21 105.54 43.52 90.42 106.99 43.95 90.32 106.27 43.73 2 0 29.59 -999 ? O2 GOL B 950 >GLU~B 37 95.36 105.28 44.74 96.31 105.18 46.65 95.83 105.23 45.70 2 0 33.63 -999 ? O2 GOL B 950 >GLN~B 38 92.81 99.22 44.54 92.10 97.75 45.91 92.46 98.48 45.23 2 0 32.53 -999 ? O2 GOL B 950 >THR~B 39 89.70 101.86 40.08 87.68 102.69 40.32 88.69 102.27 40.20 2 0 25.62 -999 ? O2 GOL B 950 >ALA~B 40 92.41 103.72 38.10 93.36 104.77 38.67 92.89 104.25 38.39 2 0 25.12 -999 ? O2 GOL B 950 >ASP~B 41 95.21 99.82 38.97 96.37 98.19 38.27 95.79 99.00 38.62 2 0 26.71 -999 ? O2 GOL B 950 >VAL~B 42 91.60 98.44 36.74 89.99 97.35 37.79 90.79 97.90 37.26 3 0 24.06 -999 ? O2 GOL B 950 >LEU~B 43 89.92 102.33 34.28 87.79 102.64 34.87 88.86 102.48 34.57 3 0 20.14 -999 ? O2 GOL B 950 >ALA~B 44 94.19 101.04 32.76 95.43 101.51 33.56 94.81 101.28 33.16 2 0 21.52 -999 ? O2 GOL B 950 >GLN~B 45 94.91 96.08 34.54 94.28 94.82 36.13 94.60 95.45 35.33 2 0 24.88 -999 ? O3 GOL B 950 >ILE~B 46 89.49 98.00 31.09 88.17 97.87 31.48 88.83 97.93 31.28 3 0 17.90 -999 ? O3 GOL B 950 >ASP~B 47 93.14 101.33 28.62 91.82 102.90 29.18 92.48 102.12 28.90 2 0 15.84 -999 ? O2 GOL B 950 >ARG~B 48 98.65 97.97 29.64 98.08 98.06 32.67 98.36 98.02 31.15 2 0 22.94 -999 ? O2 GOL B 950 >TRP~B 49 93.72 93.24 30.14 95.98 90.58 28.33 94.85 91.91 29.24 3 0 20.62 -999 ? O3 GOL B 950 >LEU~B 50 89.75 97.69 25.12 87.73 97.43 26.02 88.74 97.56 25.57 3 0 12.70 -999 ? O3 GOL B 950 >ALA~B 51 93.60 97.77 22.59 94.81 98.54 23.12 94.21 98.16 22.85 2 0 14.07 -999 ? O3 GOL B 950 >GLU~B 52 96.35 92.28 22.91 97.62 91.66 24.51 96.99 91.97 23.71 2 0 19.45 -999 ? O3 GOL B 950 >CYH~B 53 91.32 93.23 20.91 90.52 91.77 23.16 90.92 92.50 22.03 2 0 14.50 -999 ? O3 GOL B 950 >GLY.B 54 91.04 96.08 18.38 90.63 96.03 19.12 90.84 96.06 18.75 1 0 9.56 -999 ? O3 GOL B 950 >SER.B 55 88.61 97.97 20.59 86.46 97.78 21.75 87.54 97.87 21.17 2 0 8.55 -999 ? O3 GOL B 950 >ASP~B 56 89.32 102.07 22.42 88.01 102.89 20.99 88.66 102.48 21.71 2 0 6.96 -999 ? O2 GOL B 950 >LYS~B 57 86.72 102.39 25.91 89.80 107.36 28.44 88.26 104.87 27.18 2 0 14.52 -999 ? O2 GOL B 950 >ALA~B 58 84.61 104.39 23.42 85.18 105.44 22.47 84.90 104.91 22.94 2 0 7.60 -999 ? O2 GOL B 950 >HIS.B 59 84.36 101.37 19.85 84.66 102.82 18.36 84.51 102.09 19.10 3 0 -4.57 -999 ? C2 GOL B 950s >VAL^B 60 82.40 99.41 25.48 83.23 99.40 27.50 82.82 99.41 26.49 3 0 12.30 -999 ? O1 GOL B 950 >LEU^B 61 78.51 96.75 24.75 78.25 96.60 22.58 78.38 96.67 23.66 3 0 11.82 -999 ? O1 GOL B 950 >ASP^B 62 77.52 95.82 28.99 76.54 95.31 30.81 77.03 95.57 29.90 2 0 18.74 -999 ? O1 GOL B 950 >ALA^B 63 80.24 97.31 32.37 80.98 98.63 32.56 80.61 97.97 32.47 2 0 18.27 -999 ? O1 GOL B 950 >VAL^B 64 79.44 95.60 35.66 78.14 93.86 35.93 78.79 94.73 35.79 3 0 22.88 -999 ? O1 GOL B 950 >ILE^B 65 81.31 98.61 38.76 81.83 99.89 38.61 81.57 99.25 38.69 3 0 24.04 -999 ? O1 GOL B 950 >TYR^B 66 81.19 92.70 40.65 79.76 91.15 38.82 80.47 91.92 39.74 3 0 27.35 -999 ? O3 GOL B 950 >LEU^B 67 82.07 98.26 45.25 82.54 100.16 44.32 82.30 99.21 44.78 3 0 30.04 -999 ? O1 GOL B 950 >ARG.B 68 86.45 94.40 50.64 86.49 91.69 52.10 86.47 93.05 51.37 2 0 39.05 -999 ? O3 GOL B 950 >ASP~B 69 82.98 98.40 51.07 82.10 99.40 52.70 82.54 98.90 51.89 2 0 37.85 -999 ? O1 GOL B 950 >MET?B 70 79.25 100.26 48.54 77.33 100.80 45.60 78.29 100.53 47.07 2 0 30.99 -999 ? O1 GOL B 950 >GLY~B 71 80.71 102.96 50.80 80.95 102.66 50.07 80.83 102.81 50.43 1 0 35.70 -999 ? O1 GOL B 950 >ASP~B 72 84.35 102.34 47.72 85.58 101.94 49.40 84.96 102.14 48.56 2 0 34.52 -999 ? O1 GOL B 950 >TYR~B 73 78.24 104.36 44.39 76.55 104.43 42.16 77.39 104.39 43.27 3 0 28.51 -999 ? O1 GOL B 950 >ALA~B 74 81.37 108.04 45.01 81.03 109.14 46.03 81.20 108.59 45.52 2 0 31.32 -999 ? O1 GOL B 950 >GLU~B 75 87.48 106.98 46.02 88.57 106.50 47.78 88.02 106.74 46.90 2 0 33.09 -999 ? O2 GOL B 950 >MET?B 76 84.91 104.80 42.29 83.06 103.09 39.67 83.99 103.94 40.98 2 0 24.58 -999 ? O1 GOL B 950 >ASN~B 77 81.16 107.55 40.83 79.61 106.11 40.90 80.38 106.83 40.87 2 0 25.96 -999 ? O1 GOL B 950 >GLY~B 78 84.90 109.98 40.38 85.00 109.23 40.04 84.95 109.61 40.21 1 0 26.00 -999 ? O2 GOL B 950 >VAL~B 79 87.52 107.95 38.53 89.32 106.95 39.28 88.42 107.45 38.91 3 0 24.36 -999 ? O2 GOL B 950 >TRP~B 80 81.70 105.64 35.39 82.42 102.27 33.48 82.06 103.96 34.44 3 0 19.30 -999 ? O1 GOL B 950 >ASP~B 81 82.67 110.46 36.29 80.89 109.70 37.11 81.78 110.08 36.70 2 0 22.71 -999 ? O1 GOL B 950 >ALA~B 82 86.69 110.98 34.24 87.81 111.34 35.22 87.25 111.16 34.73 2 0 21.50 -999 ? O2 GOL B 950 >TRP~B 83 89.75 105.12 31.68 86.90 102.59 30.69 88.32 103.85 31.19 3 0 16.60 -999 ? O2 GOL B 950 >VAL~B 84 84.55 107.07 30.23 82.75 106.81 31.45 83.65 106.94 30.84 3 0 16.06 -999 ? O1 GOL B 950 >ALA.B 85 84.27 108.34 26.66 84.43 107.48 25.40 84.35 107.91 26.03 2 0 10.87 -999 ? O2 GOL B 950 >ALA.B 86 81.80 111.23 26.81 82.20 112.71 27.02 82.00 111.97 26.92 2 0 14.71 -999 ? O1 GOL B 950 >GLY.B 87 78.66 110.73 24.64 79.10 110.11 24.98 78.88 110.42 24.81 1 0 12.07 -999 ? O1 GOL B 950 >ARG.B 88 81.83 107.36 21.20 80.96 105.26 19.14 81.39 106.31 20.17 2 0 4.30 -999 ? O1 GOL B 950 >THR.B 89 79.14 105.88 27.96 78.38 107.60 29.01 78.76 106.74 28.49 2 0 14.76 -999 ? O1 GOL B 950 >PRO.B 90 80.18 101.99 29.75 78.56 102.83 28.45 79.37 102.41 29.10 3 0 14.29 -999 ? O1 GOL B 950 >ALA^B 91 75.33 100.29 29.93 74.64 99.08 29.36 74.98 99.68 29.65 2 0 16.75 -999 ? O1 GOL B 950 >ARG^B 92 78.81 102.44 35.43 78.98 103.89 38.15 78.90 103.17 36.79 2 0 23.20 -999 ? O1 GOL B 950 >ALA^B 93 75.44 98.23 36.76 74.75 96.88 36.61 75.10 97.56 36.68 2 0 23.75 -999 ? O1 GOL B 950 >CYH^B 94 77.08 98.59 40.15 78.87 99.98 41.76 77.98 99.29 40.96 2 0 27.11 -999 ? O1 GOL B 950 >VAL^B 95 76.53 96.06 42.93 75.74 94.37 41.69 76.13 95.21 42.31 3 0 29.16 -999 ? O1 GOL B 950 >GLU^B 96 78.77 95.82 48.57 78.05 96.15 50.52 78.41 95.98 49.55 2 0 36.46 -999 ? O1 GOL B 950 >ALA.B 97 80.03 91.81 46.14 79.82 91.14 44.79 79.93 91.47 45.46 2 0 32.41 -999 ? O1 GOL B 950 >ARG.B 98 82.95 90.02 51.74 83.65 90.79 54.63 83.30 90.40 53.19 2 0 41.66 -999 ? O3 GOL B 950 >LEU.B 99 86.80 90.84 44.93 85.72 92.42 43.88 86.26 91.63 44.40 3 0 31.67 -999 ? O3 GOL B 950 >ALA.B 100 88.71 86.89 45.58 89.31 86.27 44.34 89.01 86.58 44.96 2 0 33.98 -999 ? O3 GOL B 950 >ARG.B 101 94.54 87.86 47.00 96.14 88.02 44.39 95.34 87.94 45.69 2 0 34.98 -999 ? O3 GOL B 950 >PRO.B 102 91.55 89.52 52.04 90.23 90.39 50.43 90.89 89.96 51.24 3 0 39.20 -999 ? O3 GOL B 950 >GLU.B 103 94.42 92.81 49.45 94.48 91.12 50.74 94.45 91.96 50.10 2 0 39.19 -999 ? O3 GOL B 950 >TRP.B 104 92.75 92.77 44.99 92.04 89.43 43.03 92.40 91.10 44.01 3 0 32.45 -999 ? O3 GOL B 950 >ARG.B 105 89.39 99.36 49.23 88.90 101.79 51.03 89.15 100.58 50.13 2 0 36.44 -999 ? O2 GOL B 950 >VAL^B 106 86.74 96.87 42.92 87.13 98.61 41.57 86.94 97.74 42.24 3 0 28.17 -999 ? C2 GOL B 950 >GLU^B 107 86.43 92.02 39.22 86.46 90.01 39.92 86.45 91.01 39.57 2 0 28.09 -999 ? O3 GOL B 950 >ILE^B 108 85.45 97.01 36.06 85.19 98.44 35.92 85.32 97.73 35.99 3 0 21.98 -999 ? O3 GOL B 950 >LYS^B 109 83.70 93.21 33.90 83.69 87.58 32.60 83.69 90.40 33.25 2 0 22.89 -999 ? O3 GOL B 950 >ILE^B 110 84.74 95.37 29.86 84.37 96.79 29.76 84.55 96.08 29.81 3 0 16.35 -999 ? O3 GOL B 950 >THR^B 111 81.65 93.64 27.17 79.88 92.35 27.04 80.76 93.00 27.10 2 0 16.17 -999 ? O3 GOL B 950 >ALA^B 112 82.79 95.57 24.10 84.22 96.11 24.34 83.50 95.84 24.22 2 0 11.31 -999 ? O3 GOL B 950 >VAL.B 113 82.75 95.65 20.32 81.05 96.11 18.99 81.90 95.88 19.65 3 0 7.99 -999 ? O3 GOL B 950 >LYS.B 114 85.63 95.27 17.85 89.22 91.27 14.46 87.43 93.27 16.16 2 0 11.30 -999 ? O3 GOL B 950 >ARG.B 115 87.77 100.70 17.94 88.70 103.15 16.36 88.24 101.92 17.15 2 0 -4.10 -999 ? O2 GOL B 950s >ASP.B 116 83.88 98.51 11.37 82.30 97.22 11.92 83.09 97.87 11.64 2 0 -5.19 -999 ? O3 GOL B 950s >ALA.B 117 88.04 99.13 9.70 89.09 98.17 9.15 88.57 98.65 9.42 2 0 7.83 -999 ? C3 GOL B 950 >HIS.C 0 70.98 88.61 10.86 73.03 88.19 10.65 72.01 88.40 10.75 3 0 10.54 -999 ? O1 GOL A 951 >MET?C 1 68.02 87.97 15.15 70.71 89.90 15.07 69.37 88.94 15.11 2 0 8.05 -999 ? O1 GOL A 951 >ASP.C 2 65.26 83.93 14.62 64.09 84.47 12.93 64.67 84.20 13.77 2 0 5.29 -999 ? O2 GOL A 951 >ILE^C 3 64.95 84.62 20.35 65.11 85.54 21.41 65.03 85.08 20.88 3 0 7.09 -999 ? O2 GOL A 951 >ARG^C 4 65.65 76.97 18.06 66.89 74.15 18.09 66.27 75.56 18.08 2 0 14.90 -999 ? O2 GOL A 951 >TYR^C 5 62.92 81.10 23.82 62.56 83.85 23.38 62.74 82.47 23.60 3 0 9.55 -999 ? O2 GOL A 951 >PHE^C 6 67.58 75.74 23.65 68.55 76.16 21.04 68.07 75.95 22.34 3 0 15.18 -999 ? O2 GOL A 951 >GLY.C 7 64.22 74.47 28.60 63.95 75.15 28.20 64.09 74.81 28.40 1 0 18.65 -999 ? O2 GOL A 951 >THR.C 8 61.49 77.15 28.85 60.66 78.42 27.28 61.08 77.78 28.07 2 0 14.72 -999 ? O2 GOL A 951 >THR.C 9 59.68 77.37 32.22 61.16 77.27 33.82 60.42 77.32 33.02 2 0 20.80 -999 ? O2 GOL A 951 >PRO.C 10 55.91 78.23 34.28 57.49 79.43 33.20 56.70 78.83 33.74 3 0 20.42 -999 ? O2 GOL A 951 >ARG.C 11 61.44 82.03 38.49 59.69 81.17 40.87 60.57 81.60 39.68 2 0 25.96 -999 ? O2 GOL A 951 >TYR.C 12 64.35 80.17 34.34 64.59 77.79 35.80 64.47 78.98 35.07 3 0 21.45 -999 ? O2 GOL A 951 >SER.C 13 64.56 79.37 29.82 63.22 80.17 27.96 63.89 79.77 28.89 2 0 14.48 -999 ? O2 GOL A 951 >GLU.C 14 66.80 75.18 31.66 67.57 75.40 33.63 67.19 75.29 32.64 2 0 22.65 -999 ? O2 GOL A 951 >ALA^C 15 69.22 78.49 27.27 70.02 77.38 26.59 69.62 77.94 26.93 2 0 17.48 -999 ? O2 GOL A 951 >VAL^C 16 68.45 81.26 24.79 67.11 82.91 25.39 67.78 82.09 25.09 3 0 12.87 -999 ? O2 GOL A 951 >GLY^C 17 70.12 81.52 21.38 69.41 81.90 21.43 69.76 81.71 21.40 1 0 12.33 -999 ? O1 GOL A 951 >ALA^C 18 70.26 84.42 18.91 69.59 85.67 19.45 69.92 85.04 19.18 2 0 8.77 -999 ? O1 GOL A 951 >ASN.C 19 72.67 86.71 15.81 73.79 87.36 14.11 73.23 87.03 14.96 2 0 11.39 -999 ? O1 GOL A 951 >GLY.C 20 75.15 82.59 17.03 74.71 82.93 17.62 74.93 82.76 17.32 1 0 14.31 -999 ? O1 GOL A 951 >LEU^C 21 75.23 85.05 21.19 76.61 86.69 21.08 75.92 85.87 21.13 3 0 14.79 -999 ? O1 GOL A 951 >ILE^C 22 74.61 80.00 23.59 74.74 78.74 23.32 74.68 79.37 23.45 3 0 17.54 -999 ? O1 GOL A 951 >PHE^C 23 72.82 85.21 26.38 74.18 87.36 25.24 73.50 86.28 25.81 3 0 15.22 -999 ? O1 GOL A 951 >LEU^C 24 73.64 79.18 30.04 74.15 77.42 28.90 73.90 78.30 29.47 3 0 21.06 -999 ? O1 GOL A 951 >SER.C 25 70.51 80.78 32.82 68.04 80.70 32.87 69.28 80.74 32.84 2 0 19.81 -999 ? O2 GOL A 951 >GLY.C 26 72.45 80.74 36.08 71.89 80.21 35.67 72.17 80.47 35.88 1 0 24.32 -999 ? O1 GOL A 951 >MET?C 27 73.11 77.05 36.61 71.97 75.38 33.66 72.54 76.22 35.13 2 0 24.36 -999 ? O2 GOL A 951 >VAL.C 28 72.71 76.01 40.25 70.98 77.26 40.80 71.85 76.63 40.52 3 0 29.24 -999 ? O2 GOL A 951 >PRO.C 29 74.39 73.94 43.78 73.41 73.40 41.83 73.90 73.67 42.80 3 0 33.11 -999 ? O2 GOL A 951 >GLU.C 30 69.76 70.57 39.56 69.47 70.03 37.53 69.61 70.30 38.54 2 0 29.26 -999 ? O2 GOL A 951 >ASN.C 31 73.76 66.32 42.47 72.08 65.37 41.57 72.92 65.84 42.02 2 0 35.86 -999 ? O2 GOL A 951 >GLY.C 32 76.25 67.75 45.88 75.55 68.03 46.15 75.90 67.89 46.02 1 0 39.23 -999 ? O2 GOL A 951 >GLU.C 33 76.22 67.17 50.45 74.29 67.58 51.21 75.26 67.38 50.83 2 0 42.88 -999 ? O2 GOL A 951 >THR~C 34 80.65 70.55 49.14 81.96 68.80 49.19 81.31 69.67 49.16 2 0 43.78 -999 ? O2 GOL A 951 >ALA~C 35 81.86 73.27 46.74 82.91 74.32 47.06 82.38 73.79 46.90 2 0 40.37 -999 ? O1 GOL A 951 >ALA~C 36 83.75 70.61 44.74 84.81 69.67 45.32 84.28 70.14 45.03 2 0 42.02 -999 ? O1 GOL A 951 >GLU~C 37 80.84 66.45 46.08 79.97 65.50 47.76 80.41 65.97 46.92 2 0 43.34 -999 ? O2 GOL A 951 >GLN~C 38 77.26 71.73 45.79 75.98 73.06 46.85 76.62 72.40 46.32 2 0 37.51 -999 ? O2 GOL A 951 >THR~C 39 80.76 72.86 40.99 82.55 74.10 41.09 81.65 73.48 41.04 2 0 35.80 -999 ? O1 GOL A 951 >ALA~C 40 81.03 69.57 39.06 81.59 68.26 39.61 81.31 68.91 39.33 2 0 37.06 -999 ? O2 GOL A 951 >ASP~C 41 76.30 69.04 40.25 74.26 68.84 39.70 75.28 68.94 39.97 2 0 33.24 -999 ? O2 GOL A 951 >VAL~C 42 76.85 72.81 37.84 76.82 74.83 38.75 76.84 73.82 38.29 3 0 30.88 -999 ? O2 GOL A 951 >LEU~C 43 80.97 72.12 35.35 82.40 73.78 35.72 81.68 72.95 35.53 3 0 32.12 -999 ? O1 GOL A 951 >ALA~C 44 77.81 68.97 34.05 77.53 67.79 34.97 77.67 68.38 34.51 2 0 32.24 -999 ? O2 GOL A 951 >GLN~C 45 73.07 71.05 35.59 72.27 72.35 37.07 72.67 71.70 36.33 2 0 28.59 -999 ? O2 GOL A 951 >ILE~C 46 77.59 74.41 32.01 78.21 75.64 32.35 77.90 75.02 32.18 3 0 26.75 -999 ? O1 GOL A 951 >ASP~C 47 78.66 69.52 29.72 80.74 69.84 30.02 79.70 69.68 29.87 2 0 30.24 -999 ? O2 GOL A 951 >ARG~C 48 74.33 66.42 29.52 77.22 66.38 28.41 75.78 66.40 28.97 2 0 29.62 -999 ? O2 GOL A 951 >TRP~C 49 71.35 73.10 30.91 67.89 72.41 29.18 69.62 72.75 30.04 3 0 22.38 -999 ? O2 GOL A 951 >LEU~C 50 77.20 73.99 26.00 78.20 75.78 26.71 77.70 74.88 26.36 3 0 23.54 -999 ? O1 GOL A 951 >ALA~C 51 75.45 70.58 23.68 75.64 69.21 24.28 75.54 69.90 23.98 2 0 25.07 -999 ? O2 GOL A 951 >GLU~C 52 70.03 69.96 24.76 68.33 70.22 26.00 69.18 70.09 25.38 2 0 21.49 -999 ? O2 GOL A 951 >CYH~C 53 72.44 74.60 21.75 71.63 75.95 24.01 72.04 75.27 22.88 2 0 17.88 -999 ? O2 GOL A 951 >GLY.C 54 75.05 73.22 19.31 75.23 73.63 19.98 75.14 73.42 19.65 1 0 20.50 -999 ? O2 GOL A 951 >SER.C 55 78.05 74.44 21.32 78.94 76.36 22.55 78.49 75.40 21.93 2 0 22.01 -999 ? O1 GOL A 951 >ASP~C 56 81.27 71.98 23.40 82.68 72.60 21.94 81.98 72.29 22.67 2 0 26.92 -999 ? O1 GOL A 951 >LYS~C 57 82.89 74.17 26.77 85.71 69.25 29.67 84.30 71.71 28.22 2 0 33.73 -999 ? O1 GOL A 951 >ALA~C 58 85.62 74.96 24.16 86.28 73.92 23.23 85.95 74.44 23.70 2 0 28.95 -999 ? O3 GOL B 950 >HIS.C 59 83.19 76.51 20.49 84.28 75.40 19.08 83.74 75.96 19.79 3 0 25.36 -999 ? O1 GOL A 951 >VAL^C 60 82.35 79.44 25.97 81.92 78.75 28.01 82.14 79.09 26.99 3 0 24.82 -999 ? O1 GOL A 951 >LEU^C 61 82.03 84.14 24.96 81.80 84.35 22.81 81.91 84.25 23.89 3 0 19.76 -999 ? O3 GOL B 950 >ASP^C 62 81.45 85.52 29.07 81.55 86.78 30.74 81.50 86.15 29.91 2 0 22.12 -999 ? O3 GOL B 950 >ALA^C 63 81.56 82.83 32.72 82.29 81.52 32.98 81.93 82.18 32.85 2 0 27.31 -999 ? O3 GOL B 950 >VAL^C 64 80.41 84.59 35.88 79.58 86.59 36.13 79.99 85.59 36.00 3 0 27.04 -999 ? O1 GOL A 951 >ILE^C 65 82.18 81.73 39.17 83.06 80.69 39.05 82.62 81.21 39.11 3 0 31.92 -999 ? O1 GOL A 951 >TYR^C 66 77.17 84.91 41.02 76.43 86.63 38.91 76.80 85.77 39.96 3 0 28.41 -999 ? O1 GOL A 951 >LEU^C 67 81.56 81.56 45.71 82.96 80.16 44.85 82.26 80.86 45.28 3 0 36.59 -999 ? O1 GOL A 951 >ARG.C 68 75.77 79.91 51.12 73.38 81.23 52.57 74.58 80.57 51.84 2 0 39.37 -999 ? O1 GOL A 951 >ASP~C 69 81.12 81.14 51.62 82.45 81.49 53.25 81.79 81.31 52.43 2 0 43.27 -999 ? O1 GOL A 951 >MET?C 70 84.58 83.32 48.98 85.98 84.40 45.98 85.28 83.86 47.48 2 0 35.96 -999 ? O3 GOL B 950 >GLY~C 71 86.20 80.78 51.34 85.81 80.65 50.64 86.00 80.71 50.99 1 0 42.40 -999 ? O3 GOL B 950 >ASP~C 72 83.79 77.80 48.38 82.79 76.75 49.92 83.29 77.28 49.15 2 0 41.78 -999 ? O1 GOL A 951 >TYR~C 73 88.64 81.79 44.92 89.69 83.04 42.64 89.16 82.41 43.78 3 0 35.38 -999 ? O3 GOL B 950 >ALA~C 74 90.30 77.27 45.89 91.38 77.06 46.97 90.84 77.17 46.43 2 0 41.32 -999 ? O3 GOL B 950 >GLU~C 75 86.21 72.63 47.11 85.22 72.03 48.90 85.72 72.33 48.01 2 0 43.84 -999 ? O1 GOL A 951 >MET?C 76 85.81 75.58 43.16 85.11 78.04 40.35 85.46 76.81 41.75 2 0 34.97 -999 ? O3 GOL B 950 >ASN~C 77 89.97 77.50 41.49 89.45 79.57 41.33 89.71 78.53 41.41 2 0 35.11 -999 ? O3 GOL B 950 >GLY~C 78 90.11 72.93 41.46 89.48 73.25 41.06 89.80 73.09 41.26 1 0 39.75 -999 ? O3 GOL B 950 >VAL~C 79 87.01 71.61 39.65 85.17 70.69 40.42 86.09 71.15 40.03 3 0 38.49 -999 ? O1 GOL A 951 >TRP~C 80 88.17 77.58 36.09 84.84 78.42 34.17 86.50 78.00 35.13 3 0 31.38 -999 ? O3 GOL B 950 >ASP~C 81 91.80 74.36 37.18 92.05 76.33 37.97 91.92 75.35 37.57 2 0 35.32 -999 ? O3 GOL B 950 >ALA~C 82 90.21 70.53 35.28 90.09 69.39 36.30 90.15 69.96 35.79 2 0 39.25 -999 ? O3 GOL B 950 >TRP~C 83 83.55 70.79 32.70 83.00 74.51 31.55 83.28 72.65 32.13 3 0 31.31 -999 ? O1 GOL A 951 >VAL~C 84 87.93 74.02 31.18 88.65 75.74 32.37 88.29 74.88 31.78 3 0 31.99 -999 ? O3 GOL B 950 >ALA.C 85 89.23 73.39 27.66 88.40 73.61 26.38 88.81 73.50 27.02 2 0 30.57 -999 ? O3 GOL B 950 >ALA.C 86 93.01 74.01 27.69 94.10 72.91 27.85 93.56 73.46 27.77 2 0 33.04 -999 ? O3 GOL B 950 >GLY.C 87 94.07 76.94 25.45 93.34 76.85 25.79 93.70 76.89 25.62 1 0 28.62 -999 ? O3 GOL B 950 >ARG.C 88 89.45 75.67 22.03 88.21 77.43 19.82 88.83 76.55 20.93 2 0 24.91 -999 ? O3 GOL B 950 >THR.C 89 89.57 79.18 28.65 91.45 79.02 29.73 90.51 79.10 29.19 2 0 28.11 -999 ? O3 GOL B 950 >PRO.C 90 85.59 80.38 30.20 87.22 81.24 28.89 86.41 80.81 29.55 3 0 25.68 -999 ? O3 GOL B 950 >ALA^C 91 86.59 85.36 30.17 85.85 86.53 29.52 86.22 85.94 29.84 2 0 21.31 -999 ? O3 GOL B 950 >ARG^C 92 86.93 81.72 35.97 87.84 80.95 38.80 87.39 81.33 37.39 2 0 32.08 -999 ? O3 GOL B 950 >ALA^C 93 84.77 86.80 36.94 83.94 88.06 36.70 84.35 87.43 36.82 2 0 26.03 -999 ? O3 GOL B 950 >CYH^C 94 84.26 85.32 40.41 84.61 83.23 42.22 84.44 84.27 41.31 2 0 33.27 -999 ? O3 GOL B 950 >VAL^C 95 82.35 87.22 43.10 81.41 88.73 41.80 81.88 87.97 42.45 3 0 31.23 -999 ? O3 GOL B 950 >GLU^C 96 80.89 85.84 48.87 81.51 86.49 50.75 81.20 86.17 49.81 2 0 39.42 -999 ? O3 GOL B 950 >ALA.C 97 76.93 86.54 46.42 76.39 87.03 45.08 76.66 86.79 45.75 2 0 32.61 -999 ? O1 GOL A 951 >ARG.C 98 73.59 85.76 51.98 74.41 87.69 54.23 74.00 86.72 53.11 2 0 40.42 -999 ? O1 GOL A 951 >LEU.C 99 72.73 81.16 45.49 74.64 81.29 44.42 73.69 81.23 44.96 3 0 32.43 -999 ? O1 GOL A 951 >ALA.C 100 68.39 81.49 46.10 67.57 81.06 44.89 67.98 81.27 45.49 2 0 30.62 -999 ? O2 GOL A 951 >ARG.C 101 66.18 76.48 47.28 65.48 74.47 45.04 65.83 75.47 46.16 2 0 32.43 -999 ? O2 GOL A 951 >PRO.C 102 69.09 78.09 52.82 70.53 78.51 51.13 69.81 78.30 51.97 3 0 38.46 -999 ? O2 GOL A 951 >GLU.C 103 70.53 73.79 51.42 68.96 74.44 50.15 69.75 74.12 50.78 2 0 37.71 -999 ? O2 GOL A 951 >TRP.C 104 71.44 74.86 45.90 68.79 76.81 43.74 70.12 75.83 44.82 3 0 32.71 -999 ? O2 GOL A 951 >ARG.C 105 78.86 75.21 50.26 79.12 77.47 52.36 78.99 76.34 51.31 2 0 42.03 -999 ? O1 GOL A 951 >VAL^C 106 77.96 78.01 43.60 79.28 76.74 42.32 78.62 77.38 42.96 3 0 33.90 -999 ? O1 GOL A 951 >GLU^C 107 74.02 80.64 39.68 72.20 81.60 40.17 73.11 81.12 39.92 2 0 27.51 -999 ? O1 GOL A 951 >ILE^C 108 78.74 78.71 36.73 80.09 78.24 36.63 79.41 78.48 36.68 3 0 29.08 -999 ? O1 GOL A 951 >LYS^C 109 76.38 82.01 34.35 71.77 84.60 33.30 74.07 83.30 33.83 2 0 20.49 -999 ? O1 GOL A 951 >ILE^C 110 77.69 79.72 30.47 79.12 79.34 30.30 78.41 79.53 30.38 3 0 23.77 -999 ? O1 GOL A 951 >THR^C 111 77.66 83.08 27.48 77.42 85.24 27.15 77.54 84.16 27.31 2 0 19.19 -999 ? O1 GOL A 951 >ALA^C 112 78.83 81.00 24.51 78.69 79.52 24.88 78.76 80.26 24.70 2 0 21.01 -999 ? O1 GOL A 951 >VAL^C 113 78.80 80.68 20.71 80.57 81.84 20.11 79.69 81.26 20.41 3 0 19.48 -999 ? O1 GOL A 951 >LYS.C 114 77.12 78.17 18.45 71.74 76.48 15.40 74.43 77.33 16.93 2 0 15.55 -999 ? O2 GOL A 951 >ARG.C 115 80.83 73.45 18.81 81.96 71.43 16.79 81.40 72.44 17.80 2 0 26.43 -999 ? O1 GOL A 951 >ASP.C 116 80.50 77.60 11.86 80.20 79.66 12.28 80.35 78.63 12.07 2 0 20.34 -999 ? O1 GOL A 951 >ALA.C 117 78.78 73.73 10.48 77.78 73.78 9.33 78.28 73.75 9.91 2 0 22.65 -999 ? O1 GOL A 951 >HIS.D 0 33.17 75.14 44.69 31.60 76.53 44.85 32.39 75.83 44.77 3 0 41.22 -999 ? O3 GOL A 951 >MET?D 1 33.35 73.23 39.88 34.23 69.81 39.20 33.79 71.52 39.54 2 0 38.88 -999 ? O3 GOL A 951 >ASP.D 2 33.78 78.07 40.44 32.40 78.42 42.00 33.09 78.25 41.22 2 0 38.48 -999 ? O3 GOL A 951 >ILE^D 3 33.26 77.93 34.68 32.77 77.18 33.53 33.01 77.56 34.11 3 0 33.35 -999 ? O3 GOL A 951 >ARG^D 4 39.18 82.79 37.15 42.14 83.62 37.17 40.66 83.21 37.16 2 0 27.51 -999 ? O3 GOL A 951 >TYR^D 5 34.04 81.93 31.36 31.89 80.24 31.96 32.96 81.08 31.66 3 0 30.97 -999 ? O3 GOL A 951 >PHE^D 6 41.05 82.63 31.39 41.45 81.65 33.99 41.25 82.14 32.69 3 0 25.11 -999 ? O3 GOL A 951 >GLY^D 7 39.55 86.12 26.71 38.90 85.76 27.10 39.23 85.94 26.90 1 0 21.87 -999 ? O3 GOL A 951 >THR^D 8 35.75 86.09 26.54 34.26 85.62 28.06 35.00 85.85 27.30 2 0 27.16 -999 ? O3 GOL A 951 >THR.D 9 34.07 87.33 23.37 35.16 86.45 21.68 34.62 86.89 22.52 2 0 23.87 -999 ? O3 GOL A 951 >PRO.D 10 30.64 88.99 21.03 31.02 87.47 22.66 30.83 88.23 21.85 3 0 27.96 -999 ? O3 GOL A 951 >ARG.D 11 31.92 83.29 16.90 31.22 85.00 14.45 31.57 84.14 15.68 2 0 27.17 -999 ? O3 GOL A 951 >TYR.D 12 35.54 82.38 20.75 37.27 84.19 19.52 36.40 83.28 20.14 3 0 22.93 -999 ? O3 GOL A 951 >SER^D 13 36.29 82.28 25.23 34.91 82.76 27.17 35.60 82.52 26.20 2 0 26.74 -999 ? O3 GOL A 951 >GLU^D 14 40.96 83.82 23.27 41.65 83.06 21.41 41.30 83.44 22.34 2 0 18.52 -999 ? O3 GOL A 951 >ALA^D 15 40.31 79.63 27.55 41.66 79.82 28.21 40.99 79.72 27.88 2 0 22.83 -999 ? O3 GOL A 951 >VAL^D 16 37.97 78.18 30.19 36.24 77.55 28.95 37.11 77.86 29.57 3 0 27.72 -999 ? O3 GOL A 951 >GLY^D 17 39.00 76.59 33.49 38.22 76.81 33.50 38.61 76.70 33.50 1 0 29.15 -999 ? O3 GOL A 951 >ALA^D 18 37.13 74.33 35.90 35.71 74.01 35.40 36.42 74.17 35.65 2 0 33.62 -999 ? O3 GOL A 951 >ASN.D 19 37.49 70.97 38.88 37.92 69.68 40.54 37.70 70.33 39.71 2 0 37.68 -999 ? O3 GOL A 951 >GLY.D 20 42.10 72.39 37.69 41.49 72.32 37.15 41.80 72.36 37.42 1 0 32.18 -999 ? O3 GOL A 951 >LEU^D 21 40.06 70.43 33.81 40.20 68.52 32.79 40.13 69.48 33.30 3 0 32.14 -999 ? O3 GOL A 951 >ILE^D 22 43.15 74.57 31.31 44.12 75.53 31.57 43.63 75.05 31.44 3 0 25.82 -999 ? O3 GOL A 951 >PHE^D 23 38.40 72.16 28.19 37.78 69.65 29.25 38.09 70.90 28.72 3 0 30.21 -999 ? O3 GOL A 951 >LEU^D 24 42.95 76.63 24.81 44.65 77.11 26.09 43.80 76.87 25.45 3 0 21.39 -999 ? O3 GOL A 951 >SER.D 25 39.54 77.43 22.10 37.79 79.19 22.30 38.66 78.31 22.20 2 0 23.64 -999 ? O3 GOL A 951 >GLY.D 26 41.00 76.27 18.80 40.96 77.06 19.18 40.98 76.67 18.99 1 0 21.71 -999 ? O3 GOL A 951 >MET?D 27 44.05 78.44 18.17 44.27 80.39 20.70 44.16 79.42 19.43 2 0 17.22 -999 ? O3 GOL A 951 >VAL.D 28 44.31 79.65 14.59 42.20 80.17 14.23 43.25 79.91 14.41 3 0 17.54 -999 ? O3 GOL A 951 >PRO.D 29 47.19 79.60 11.36 46.60 81.07 12.95 46.90 80.33 12.15 3 0 14.68 -999 ? O3 GOL A 951 >GLU.D 30 46.15 85.47 15.55 46.22 86.22 17.53 46.18 85.85 16.54 2 0 12.38 -999 ? O3 GOL A 951 >ASN.D 31 51.82 86.00 12.55 51.22 87.79 13.56 51.52 86.90 13.06 2 0 7.22 -999 ? O3 GOL A 951 >GLY.D 32 52.75 83.47 9.04 52.07 83.75 8.75 52.41 83.61 8.90 1 0 10.12 -999 ? C3 GOL A 951 >GLU.D 33 52.46 82.58 3.07 50.44 83.19 3.25 51.45 82.89 3.16 2 0 15.48 -999 ? C3 GOL A 951 >THR~D 34 54.28 78.61 5.77 56.43 78.93 5.72 55.35 78.77 5.74 2 0 13.69 -999 ? C3 GOL A 951 >ALA~D 35 52.99 75.81 8.01 52.87 74.35 7.60 52.93 75.08 7.81 2 0 17.36 -999 ? C3 GOL A 951 >ALA~D 36 56.15 76.27 10.13 57.60 76.14 9.62 56.88 76.20 9.87 2 0 13.34 -999 ? O2 GOL A 951 >GLU~D 37 56.91 81.43 9.03 56.86 82.49 7.19 56.89 81.96 8.11 2 0 10.13 -999 ? C3 GOL A 951 >GLN~D 38 50.51 80.15 9.25 48.82 79.78 7.99 49.67 79.97 8.62 2 0 15.21 -999 ? O3 GOL A 951 >THR~D 39 52.48 76.60 13.70 52.88 74.46 13.40 52.68 75.53 13.55 2 0 15.48 -999 ? O2 GOL A 951 >ALA~D 40 54.98 78.64 15.74 56.25 79.29 15.22 55.61 78.96 15.48 2 0 9.45 -999 ? O2 GOL A 951 >ASP~D 41 51.66 82.00 14.69 50.31 83.55 15.14 50.99 82.77 14.91 2 0 9.64 -999 ? O3 GOL A 951 >VAL~D 42 49.56 78.99 17.12 48.10 77.67 16.13 48.83 78.33 16.62 3 0 14.38 -999 ? O3 GOL A 951 >LEU~D 43 53.18 76.70 19.50 53.14 74.52 19.12 53.16 75.61 19.31 3 0 14.63 -999 ? O2 GOL A 951 >ALA~D 44 52.77 81.07 20.91 53.33 82.18 20.02 53.05 81.62 20.47 2 0 9.70 -999 ? O3 GOL A 951 >GLN~D 45 48.20 82.66 19.23 46.64 82.57 17.78 47.42 82.62 18.51 2 0 13.44 -999 ? O3 GOL A 951 >ILE~D 46 49.13 77.16 22.80 48.84 75.90 22.33 48.99 76.53 22.57 3 0 17.21 -999 ? O3 GOL A 951 >ASP~D 47 53.11 79.92 25.26 54.27 78.20 24.92 53.69 79.06 25.09 2 0 14.65 -999 ? O2 GOL A 951 >ARG~D 48 47.64 85.40 25.80 46.15 88.00 25.07 46.90 86.70 25.44 2 0 15.34 -999 ? O3 GOL A 951 >TRP~D 49 45.16 82.41 23.96 43.43 85.32 25.98 44.30 83.87 24.97 3 0 17.58 -999 ? O3 GOL A 951 >LEU~D 50 48.95 77.63 28.96 48.57 75.78 27.83 48.76 76.71 28.40 3 0 20.32 -999 ? O3 GOL A 951 >ALA~D 51 49.97 81.16 31.51 51.08 82.10 31.03 50.52 81.63 31.27 2 0 18.53 -999 ? O3 GOL A 951 >GLU~D 52 46.73 85.20 30.28 45.35 86.58 29.43 46.04 85.89 29.86 2 0 19.07 -999 ? O3 GOL A 951 >CYH~D 53 45.18 80.08 33.20 43.56 79.57 30.98 44.37 79.83 32.09 2 0 23.36 -999 ? O3 GOL A 951 >GLY.D 54 48.00 79.21 35.60 47.90 78.83 34.86 47.95 79.02 35.23 1 0 24.68 -999 ? O3 GOL A 951 >SER.D 55 49.43 76.53 33.34 48.76 74.48 32.19 49.10 75.51 32.77 2 0 24.22 -999 ? O3 GOL A 951 >ASP~D 56 53.49 76.20 31.36 53.93 74.76 32.85 53.71 75.48 32.10 2 0 22.45 -999 ? O2 GOL A 951 >LYS~D 57 53.22 73.52 27.96 58.48 75.42 25.07 55.85 74.47 26.52 2 0 15.47 -999 ? O2 GOL A 951 >ALA~D 58 54.73 71.11 30.51 55.91 71.44 31.42 55.32 71.27 30.97 2 0 23.01 -999 ? O2 GOL A 951 >HIS.D 59 51.94 71.71 34.15 53.51 71.88 35.53 52.72 71.79 34.84 3 0 26.05 -999 ? O2 GOL A 951 >VAL^D 60 49.27 70.08 28.70 49.28 71.07 26.76 49.28 70.58 27.73 3 0 23.77 -999 ? O2 GOL A 951 >LEU^D 61 45.92 66.78 29.44 45.72 66.63 31.60 45.82 66.70 30.52 3 0 29.63 -999 ? O2 GOL A 951 >ASP^D 62 44.59 66.09 25.25 43.90 65.26 23.44 44.25 65.68 24.34 2 0 29.02 -999 ? O2 GOL A 951 >ALA^D 63 46.31 68.31 21.78 47.74 68.82 21.56 47.02 68.56 21.67 2 0 23.58 -999 ? O2 GOL A 951 >VAL^D 64 44.18 67.94 18.68 42.17 67.11 18.45 43.18 67.53 18.57 3 0 26.56 -999 ? O3 GOL A 951 >ILE^D 65 47.41 68.97 15.46 48.73 69.24 15.67 48.07 69.10 15.56 3 0 22.42 -999 ? O2 GOL A 951 >TYR^D 66 41.66 70.16 13.37 39.83 69.19 15.24 40.75 69.67 14.31 3 0 26.19 -999 ? O3 GOL A 951 >LEU^D 67 47.11 69.68 8.74 49.07 69.68 9.72 48.09 69.68 9.23 3 0 22.83 -999 ? C3 GOL A 951 >ARG.D 68 44.26 75.21 3.61 46.39 76.89 2.15 45.33 76.05 2.88 2 0 21.55 -999 ? C3 GOL A 951 >ASP~D 69 47.64 70.52 3.01 48.24 69.23 1.44 47.94 69.88 2.23 2 0 26.11 -999 ? C3 GOL A 951 >MET?D 70 48.32 66.62 5.54 48.61 64.53 8.08 48.46 65.58 6.81 2 0 27.16 -999 ? O2 GOL A 951 >GLY~D 71 51.30 67.32 3.24 51.07 67.69 3.91 51.19 67.51 3.57 1 0 25.61 -999 ? O2 GOL A 951 >ASP~D 72 51.48 71.25 6.09 51.64 72.68 4.53 51.56 71.97 5.31 2 0 20.56 -999 ? C3 GOL A 951 >TYR~D 73 52.19 64.87 9.49 52.01 63.19 11.73 52.10 64.03 10.61 3 0 25.60 -999 ? O2 GOL A 951 >ALA~D 74 56.49 67.07 8.58 57.37 66.52 7.47 56.93 66.79 8.02 2 0 22.86 -999 ? O2 GOL A 951 >GLU~D 75 57.32 73.04 7.41 56.65 74.34 5.88 56.99 73.69 6.64 2 0 17.00 -999 ? O2 GOL A 951 >MET?D 76 54.26 71.11 11.39 52.33 69.69 13.84 53.29 70.40 12.61 2 0 19.86 -999 ? O2 GOL A 951 >ASN~D 77 56.24 66.96 12.99 54.50 65.76 12.95 55.37 66.36 12.97 2 0 22.86 -999 ? O2 GOL A 951 >GLY~D 78 59.36 70.19 13.16 58.68 70.41 13.57 59.02 70.30 13.36 1 0 17.60 -999 ? O2 GOL A 951 >VAL~D 79 58.10 73.22 15.10 57.35 75.19 14.43 57.72 74.21 14.77 3 0 13.73 -999 ? O2 GOL A 951 >TRP~D 80 54.93 68.04 18.61 51.74 69.38 20.49 53.34 68.71 19.55 3 0 20.62 -999 ? O2 GOL A 951 >ASP~D 81 59.81 68.00 17.43 58.62 66.37 16.71 59.21 67.18 17.07 2 0 21.31 -999 ? O2 GOL A 951 >ALA~D 82 61.13 71.98 19.35 61.60 73.03 18.37 61.36 72.50 18.86 2 0 14.77 -999 ? O2 GOL A 951 >TRP~D 83 55.99 75.80 22.07 53.00 73.53 23.23 54.49 74.67 22.65 3 0 15.93 -999 ? O2 GOL A 951 >VAL~D 84 57.19 70.48 23.75 56.64 68.73 22.55 56.91 69.60 23.15 3 0 19.80 -999 ? O2 GOL A 951 >ALA.D 85 58.74 70.17 27.21 58.06 70.60 28.50 58.40 70.39 27.85 2 0 21.39 -999 ? O2 GOL A 951 >ALA.D 86 61.18 67.25 27.57 62.69 67.40 27.76 61.94 67.33 27.66 2 0 23.53 -999 ? O2 GOL A 951 >GLY.D 87 59.70 64.15 29.25 59.27 64.78 29.01 59.49 64.47 29.13 1 0 27.04 -999 ? O2 GOL A 951 >ARG.D 88 56.91 67.99 32.73 54.82 67.45 34.93 55.87 67.72 33.83 2 0 28.43 -999 ? O2 GOL A 951 >THR.D 89 54.84 65.54 26.01 55.35 64.21 24.39 55.10 64.87 25.20 2 0 25.48 -999 ? O2 GOL A 951 >PRO.D 90 51.15 67.41 24.32 51.75 65.63 25.56 51.45 66.52 24.94 3 0 24.79 -999 ? O2 GOL A 951 >ALA^D 91 48.61 62.99 24.13 47.33 62.46 24.76 47.97 62.72 24.45 2 0 29.88 -999 ? O2 GOL A 951 >ARG^D 92 51.18 65.74 18.55 52.26 65.92 15.67 51.72 65.83 17.11 2 0 23.26 -999 ? O2 GOL A 951 >ALA^D 93 46.14 63.48 17.48 44.70 63.05 17.72 45.42 63.27 17.60 2 0 29.39 -999 ? O2 GOL A 951 >CYH^D 94 46.46 64.89 13.99 48.19 66.31 12.33 47.33 65.60 13.16 2 0 24.94 -999 ? O2 GOL A 951 >VAL^D 95 43.88 64.86 11.18 42.09 64.32 12.37 42.99 64.59 11.78 3 0 29.18 -999 ? O3 GOL A 951 >GLU^D 96 43.19 67.37 5.50 43.54 66.62 3.56 43.36 67.00 4.53 2 0 29.39 -999 ? C3 GOL A 951 >ALA.D 97 40.35 69.38 8.00 39.74 69.42 9.40 40.04 69.40 8.70 2 0 27.69 -999 ? O3 GOL A 951 >ARG^D 98 38.26 74.55 3.45 35.68 74.57 1.79 36.97 74.56 2.62 2 0 30.05 -999 ? O3 GOL A 951 >LEU^D 99 40.92 75.93 9.12 42.28 74.48 10.11 41.60 75.20 9.61 3 0 22.43 -999 ? O3 GOL A 951 >ALA.D 100 37.38 78.69 8.85 37.01 79.39 10.16 37.20 79.04 9.50 2 0 23.83 -999 ? O3 GOL A 951 >ARG.D 101 40.08 84.07 8.44 40.01 85.74 5.83 40.04 84.90 7.14 2 0 20.73 -999 ? O3 GOL A 951 >PRO.D 102 40.29 81.27 2.31 40.99 79.76 3.82 40.64 80.52 3.07 3 0 23.08 -999 ? O3 GOL A 951 >GLU.D 103 44.42 83.12 3.67 42.91 83.90 4.92 43.66 83.51 4.29 2 0 19.20 -999 ? O3 GOL A 951 >TRP.D 104 44.19 81.31 9.25 40.77 81.56 11.19 42.48 81.43 10.22 3 0 18.20 -999 ? O3 GOL A 951 >ARG.D 105 49.46 76.53 4.76 51.97 75.72 3.20 50.71 76.12 3.98 2 0 18.90 -999 ? C3 GOL A 951 >VAL^D 106 46.99 74.72 11.11 48.85 74.74 12.35 47.92 74.73 11.73 3 0 18.13 -999 ? O3 GOL A 951 >GLU^D 107 42.37 75.38 15.07 40.38 75.94 14.60 41.38 75.66 14.84 2 0 22.16 -999 ? O3 GOL A 951 >ILE^D 108 47.04 73.49 17.94 48.42 72.93 18.03 47.73 73.21 17.99 3 0 19.29 -999 ? O3 GOL A 951 >LYS^D 109 43.08 72.51 20.26 38.21 74.25 22.15 40.65 73.38 21.20 2 0 25.78 -999 ? O3 GOL A 951 >ILE^D 110 45.52 73.24 24.13 46.80 72.54 24.05 46.16 72.89 24.09 3 0 22.03 -999 ? O3 GOL A 951 >THR^D 111 43.37 70.53 27.02 41.75 69.10 27.33 42.56 69.82 27.18 2 0 28.55 -999 ? O3 GOL A 951 >ALA^D 112 45.66 71.20 29.97 46.47 72.47 29.73 46.06 71.84 29.85 2 0 24.93 -999 ? O3 GOL A 951 >VAL^D 113 45.88 71.05 33.74 46.76 69.60 35.16 46.32 70.33 34.45 3 0 29.27 -999 ? O2 GOL A 951 >LYS.D 114 46.34 73.96 36.17 43.50 78.70 39.31 44.92 76.33 37.74 2 0 29.89 -999 ? O3 GOL A 951 >ARG.D 115 52.71 75.36 36.84 52.29 78.28 35.90 52.50 76.82 36.37 2 0 23.78 -999 ? O2 GOL A 951 >ASP.D 116 48.07 72.78 42.94 46.03 72.33 42.61 47.05 72.55 42.78 2 0 34.22 -999 ? O3 GOL A 951 >ALA.D 117 50.02 75.95 45.13 51.17 75.07 45.66 50.59 75.51 45.40 2 0 33.83 -999 ? O2 GOL A 951 >MET?E 1 46.71 67.32 40.31 43.50 68.69 39.23 45.11 68.00 39.77 2 0 34.68 -999 ? O3 GOL A 951 >ASP.E 2 50.90 64.93 40.10 51.40 65.94 41.89 51.15 65.43 41.00 2 0 35.21 -999 ? O2 GOL A 951 >ILE^E 3 50.78 65.37 34.41 50.35 66.17 33.23 50.57 65.77 33.82 3 0 30.10 -999 ? O2 GOL A 951 >ARG^E 4 50.59 58.35 37.56 51.98 55.64 37.99 51.29 57.00 37.77 2 0 39.89 -999 ? O2 GOL A 951 >TYR^E 5 53.70 62.59 31.01 53.28 65.32 31.46 53.49 63.96 31.24 3 0 29.16 -999 ? O2 GOL A 951 >PHE^E 6 50.95 56.07 31.16 50.12 56.10 33.84 50.53 56.08 32.50 3 0 37.10 -999 ? O2 GOL A 951 >GLY^E 7 54.50 55.69 26.27 54.53 56.41 26.68 54.52 56.05 26.48 1 0 34.14 -999 ? O2 GOL A 951 >THR^E 8 56.42 58.97 26.20 56.77 60.37 27.84 56.60 59.67 27.02 2 0 30.03 -999 ? O2 GOL A 951 >THR.E 9 58.28 59.84 23.01 56.91 59.37 21.39 57.60 59.60 22.20 2 0 29.00 -999 ? O2 GOL A 951 >PRO.E 10 61.77 61.73 21.20 59.88 62.42 22.19 60.82 62.07 21.70 3 0 26.16 -999 ? O2 GOL A 951 >ARG.E 11 56.24 63.10 16.89 57.35 63.84 14.11 56.80 63.47 15.50 2 0 24.02 -999 ? O2 GOL A 951 >TYR.E 12 53.20 61.34 20.08 53.88 59.37 18.22 53.54 60.35 19.15 3 0 28.35 -999 ? O2 GOL A 951 >SER^E 13 52.75 60.38 24.89 53.83 61.43 26.78 53.29 60.91 25.84 2 0 29.20 -999 ? O2 GOL A 951 >GLU^E 14 51.83 55.64 22.94 51.20 55.83 20.92 51.52 55.74 21.93 2 0 33.54 -999 ? O2 GOL A 951 >ALA^E 15 48.56 58.26 27.28 47.97 57.03 27.93 48.26 57.65 27.60 2 0 35.28 -999 ? O2 GOL A 951 >VAL^E 16 48.55 61.07 29.85 49.18 63.18 29.50 48.87 62.12 29.68 3 0 31.36 -999 ? O2 GOL A 951 >GLY^E 17 46.77 60.78 33.22 47.36 61.39 33.18 47.06 61.08 33.20 1 0 34.92 -999 ? O2 GOL A 951 >ALA^E 18 45.88 63.62 35.63 46.23 64.96 35.03 46.05 64.29 35.33 2 0 33.09 -999 ? O2 GOL A 951 >ASN.E 19 42.93 65.25 38.69 41.34 65.55 40.11 42.14 65.40 39.40 2 0 38.10 -999 ? O3 GOL A 951 >GLY.E 20 41.62 60.59 37.62 41.92 61.07 37.06 41.77 60.83 37.34 1 0 39.67 -999 ? O2 GOL A 951 >LEU^E 21 40.99 63.08 33.47 38.98 63.77 33.01 39.99 63.42 33.24 3 0 36.23 -999 ? O3 GOL A 951 >ILE^E 22 42.99 58.31 31.26 43.38 57.09 31.65 43.18 57.70 31.46 3 0 38.06 -999 ? O2 GOL A 951 >PHE^E 23 43.01 63.59 27.99 40.99 65.29 28.90 42.00 64.44 28.44 3 0 32.32 -999 ? O3 GOL A 951 >LEU^E 24 44.11 57.47 24.65 43.97 55.63 25.85 44.04 56.55 25.25 3 0 36.51 -999 ? O2 GOL A 951 >SER.E 25 46.74 59.88 21.84 49.14 60.43 21.91 47.94 60.16 21.87 2 0 30.16 -999 ? O2 GOL A 951 >GLY.E 26 45.01 59.19 18.53 45.66 58.81 18.96 45.34 59.00 18.75 1 0 32.58 -999 ? O2 GOL A 951 >MET?E 27 45.11 55.42 18.09 46.92 54.35 20.46 46.02 54.88 19.27 2 0 36.29 -999 ? O2 GOL A 951 >VAL.E 28 46.05 54.52 14.59 47.32 55.81 13.31 46.69 55.16 13.95 3 0 35.38 -999 ? O2 GOL A 951 >PRO.E 29 44.67 52.23 11.19 46.14 51.90 12.86 45.41 52.07 12.03 3 0 38.86 -999 ? O2 GOL A 951 >GLU.E 30 50.26 49.95 15.46 51.02 49.36 17.36 50.64 49.66 16.41 2 0 39.45 -999 ? O2 GOL A 951 >ASN.E 31 47.70 45.04 12.52 49.64 44.55 13.23 48.67 44.80 12.88 2 0 44.49 -999 ? O2 GOL A 951 >GLY.E 32 44.99 45.38 8.96 45.55 45.87 8.65 45.27 45.62 8.80 1 0 45.55 -999 ? O2 GOL A 951 >GLU.E 33 45.29 45.01 3.94 45.42 44.02 2.07 45.36 44.52 3.00 2 0 48.15 -999 ? O2 GOL A 951 >THR~E 34 39.88 46.60 5.82 38.96 44.61 5.64 39.42 45.60 5.73 2 0 49.23 -999 ? O2 GOL A 951 >ALA~E 35 37.96 49.01 8.07 36.66 49.69 7.68 37.31 49.35 7.88 2 0 45.62 -999 ? O2 GOL A 951 >ALA~E 36 36.96 46.03 10.24 36.13 44.84 9.75 36.54 45.43 9.99 2 0 49.69 -999 ? O2 GOL A 951 >GLU~E 37 41.10 42.77 9.11 41.25 42.43 7.02 41.18 42.60 8.06 2 0 49.94 -999 ? O2 GOL A 951 >GLN~E 38 43.11 49.05 9.17 43.72 50.73 8.01 43.41 49.89 8.59 2 0 41.33 -999 ? O2 GOL A 951 >THR~E 39 39.19 49.19 13.81 37.13 49.90 13.57 38.16 49.55 13.69 2 0 44.53 -999 ? O2 GOL A 951 >ALA~E 40 39.94 45.98 15.75 39.77 44.57 15.19 39.86 45.28 15.47 2 0 47.85 -999 ? O2 GOL A 951 >ASP~E 41 44.59 46.89 14.57 46.57 47.47 15.10 45.58 47.18 14.84 2 0 42.54 -999 ? O2 GOL A 951 >VAL~E 42 43.01 50.31 17.00 42.50 52.20 15.98 42.76 51.26 16.49 3 0 40.54 -999 ? O2 GOL A 951 >LEU~E 43 39.27 48.54 19.59 37.39 49.57 19.10 38.33 49.05 19.35 3 0 44.73 -999 ? O2 GOL A 951 >ALA~E 44 43.23 46.58 20.88 43.78 45.47 19.99 43.51 46.02 20.44 2 0 45.60 -999 ? O2 GOL A 951 >GLN~E 45 47.16 49.68 19.15 47.59 51.07 17.61 47.38 50.38 18.38 2 0 38.85 -999 ? O2 GOL A 951 >ILE~E 46 41.81 51.76 22.80 40.88 52.65 22.39 41.35 52.21 22.60 3 0 40.93 -999 ? O2 GOL A 951 >ASP~E 47 42.46 46.80 25.12 40.38 46.68 24.71 41.42 46.74 24.91 2 0 46.56 -999 ? O2 GOL A 951 >ARG~E 48 48.99 46.49 23.32 47.99 46.43 20.40 48.49 46.46 21.86 2 0 43.32 -999 ? O2 GOL A 951 >TRP~E 49 48.27 52.60 23.76 51.71 52.72 25.68 49.99 52.66 24.72 3 0 37.62 -999 ? O2 GOL A 951 >LEU~E 50 42.42 51.79 28.96 41.01 53.19 28.03 41.72 52.49 28.50 3 0 41.92 -999 ? O2 GOL A 951 >ALA~E 51 45.15 49.03 31.26 45.39 47.63 30.70 45.27 48.33 30.98 2 0 45.33 -999 ? O2 GOL A 951 >GLU~E 52 50.89 51.29 30.85 52.21 50.67 29.31 51.55 50.98 30.08 2 0 40.23 -999 ? O2 GOL A 951 >CYH~E 53 46.73 53.90 33.10 47.08 55.57 30.86 46.90 54.73 31.98 2 0 37.95 -999 ? O2 GOL A 951 >GLY.E 54 44.58 51.81 35.49 44.34 52.13 34.76 44.46 51.97 35.12 1 0 43.94 -999 ? O2 GOL A 951 >SER.E 55 41.55 51.98 33.21 40.04 53.65 32.29 40.80 52.82 32.75 2 0 43.06 -999 ? O2 GOL A 951 >ASP~E 56 39.13 48.60 31.44 37.74 49.03 32.99 38.44 48.81 32.22 2 0 48.10 -999 ? O2 GOL A 951 >LYS~E 57 36.94 50.12 27.97 35.94 44.63 25.07 36.44 47.37 26.52 2 0 50.48 -999 ? O2 GOL A 951 >ALA~E 58 34.13 50.05 30.58 33.83 48.82 31.47 33.98 49.43 31.02 2 0 49.76 -999 ? O2 GOL A 951 >HIS.E 59 36.02 52.31 34.29 35.34 51.05 35.82 35.68 51.68 35.05 3 0 47.87 -999 ? O2 GOL A 951 >VAL^E 60 35.80 55.34 28.82 36.52 54.80 26.82 36.16 55.07 27.82 3 0 42.48 -999 ? O3 GOL A 951 >LEU^E 61 34.51 59.90 29.57 34.85 60.20 31.68 34.68 60.05 30.63 3 0 40.40 -999 ? O3 GOL A 951 >ASP^E 62 34.64 61.28 25.35 34.18 62.35 23.60 34.41 61.82 24.47 2 0 36.91 -999 ? O3 GOL A 951 >ALA^E 63 35.44 58.45 21.87 35.11 56.98 21.62 35.28 57.72 21.75 2 0 40.11 -999 ? O3 GOL A 951 >VAL^E 64 36.11 60.49 18.76 36.47 62.64 18.73 36.29 61.57 18.75 3 0 35.40 -999 ? O3 GOL A 951 >ILE^E 65 35.36 57.20 15.44 34.85 55.98 15.58 35.10 56.59 15.51 3 0 39.96 -999 ? O3 GOL A 951 >TYR^E 66 39.21 61.60 13.52 39.29 63.55 15.52 39.25 62.58 14.52 3 0 32.69 -999 ? O3 GOL A 951 >LEU^E 67 35.79 57.27 8.90 34.90 55.50 9.80 35.35 56.38 9.35 3 0 40.45 -999 ? O3 GOL A 951 >ARG.E 68 41.88 57.39 3.43 40.52 54.98 2.05 41.20 56.18 2.74 2 0 40.71 -999 ? C3 GOL A 951 >ASP~E 69 36.17 56.30 2.99 34.51 56.08 1.66 35.34 56.19 2.32 2 0 42.99 -999 ? O3 GOL A 951 >MET?E 70 32.51 57.71 5.62 30.79 58.38 8.24 31.65 58.05 6.93 2 0 41.84 -999 ? O3 GOL A 951 >GLY~E 71 31.47 54.72 3.46 31.92 54.74 4.14 31.70 54.73 3.80 1 0 45.23 -999 ? O3 GOL A 951 >ASP~E 72 34.78 52.81 6.36 36.05 52.06 4.82 35.41 52.43 5.59 2 0 44.54 -999 ? O3 GOL A 951 >TYR~E 73 29.12 55.18 9.99 27.95 56.04 12.39 28.53 55.61 11.19 3 0 44.99 -999 ? O3 GOL A 951 >ALA~E 74 28.59 50.46 8.98 27.57 50.01 7.92 28.08 50.24 8.45 2 0 50.29 -999 ? O3 GOL A 951 >GLU~E 75 33.72 47.05 7.77 34.99 46.96 6.07 34.35 47.00 6.92 2 0 49.07 -999 ? O2 GOL A 951 >MET?E 76 33.41 50.20 11.60 33.43 52.67 14.06 33.42 51.44 12.83 2 0 44.16 -999 ? O3 GOL A 951 >ASN~E 77 28.90 50.58 13.46 28.75 52.70 13.63 28.83 51.64 13.54 2 0 46.92 -999 ? O3 GOL A 951 >GLY~E 78 30.05 46.23 13.54 30.62 46.73 13.89 30.33 46.48 13.71 1 0 51.41 -999 ? O3 GOL A 951 >VAL~E 79 33.47 45.96 15.17 35.45 45.59 14.34 34.46 45.77 14.76 3 0 49.40 -999 ? O2 GOL A 951 >TRP~E 80 30.82 51.24 18.82 33.56 53.39 20.65 32.19 52.31 19.74 3 0 45.34 -999 ? O3 GOL A 951 >ASP~E 81 28.29 47.05 17.87 27.40 48.80 17.05 27.85 47.93 17.46 2 0 50.81 -999 ? O3 GOL A 951 >ALA~E 82 31.27 44.02 19.45 31.86 43.15 18.36 31.57 43.59 18.91 2 0 53.07 -999 ? O2 GOL A 951 >TRP~E 83 37.24 46.44 22.25 36.73 50.23 23.24 36.98 48.34 22.75 3 0 46.42 -999 ? O2 GOL A 951 >VAL~E 84 32.02 48.17 23.74 30.70 49.53 22.55 31.36 48.85 23.15 3 0 49.08 -999 ? O3 GOL A 951 >ALA.E 85 31.13 47.18 27.28 31.89 47.62 28.53 31.51 47.40 27.91 2 0 50.92 -999 ? O3 GOL A 951 >ALA.E 86 27.35 46.67 27.37 26.65 45.31 27.25 27.00 45.99 27.31 2 0 55.32 -999 ? O3 GOL A 951 >GLY.E 87 25.60 49.19 29.66 26.30 49.33 29.29 25.95 49.26 29.48 1 0 53.52 -999 ? O3 GOL A 951 >ARG.E 88 29.41 50.44 33.08 31.20 51.72 35.22 30.30 51.08 34.15 2 0 50.25 -999 ? O3 GOL A 951 >THR.E 89 29.05 52.71 26.34 27.38 51.90 25.33 28.21 52.31 25.84 2 0 49.37 -999 ? O3 GOL A 951 >PRO.E 90 32.44 55.01 24.77 30.56 55.40 25.95 31.50 55.20 25.36 3 0 44.34 -999 ? O3 GOL A 951 >ALA^E 91 29.93 59.43 24.47 30.27 60.81 25.05 30.10 60.12 24.76 2 0 40.93 -999 ? O3 GOL A 951 >ARG^E 92 30.80 55.71 18.95 29.88 54.53 16.24 30.34 55.12 17.59 2 0 44.76 -999 ? O3 GOL A 951 >ALA^E 93 31.19 61.20 17.61 31.65 62.64 17.83 31.42 61.92 17.72 2 0 37.59 -999 ? O3 GOL A 951 >CYH^E 94 32.21 60.07 14.15 32.52 57.92 12.39 32.36 58.99 13.27 2 0 40.57 -999 ? O3 GOL A 951 >VAL^E 95 33.38 62.31 11.34 33.99 64.02 12.60 33.68 63.17 11.97 3 0 35.90 -999 ? O3 GOL A 951 >GLU^E 96 35.12 60.99 5.71 34.43 61.42 3.77 34.78 61.21 4.74 2 0 38.36 -999 ? O3 GOL A 951 >ALA.E 97 38.88 63.17 7.85 39.21 63.90 9.16 39.04 63.54 8.51 2 0 32.24 -999 ? O3 GOL A 951 >ARG.E 98 44.38 63.34 3.50 43.60 64.50 0.75 43.99 63.92 2.13 2 0 32.12 -999 ? C3 GOL A 951 >LEU.E 99 44.46 59.46 9.31 42.51 58.95 10.21 43.48 59.21 9.76 3 0 33.75 -999 ? O2 GOL A 951 >ALA.E 100 48.62 60.90 8.55 49.53 60.82 9.77 49.07 60.86 9.16 2 0 29.61 -999 ? O2 GOL A 951 >ARG.E 101 52.24 57.02 6.64 53.62 54.39 7.46 52.93 55.71 7.05 2 0 34.92 -999 ? O2 GOL A 951 >PRO.E 102 48.58 57.26 1.88 47.19 57.34 3.65 47.88 57.30 2.76 3 0 35.36 -999 ? O2 GOL A 951 >GLU.E 103 48.99 52.77 3.59 50.37 54.24 4.24 49.68 53.51 3.91 2 0 36.75 -999 ? O2 GOL A 951 >TRP.E 104 47.58 53.71 8.95 49.59 56.60 10.72 48.58 55.15 9.84 3 0 35.12 -999 ? O2 GOL A 951 >ARG.E 105 40.01 51.93 4.65 38.86 49.64 3.00 39.43 50.78 3.83 2 0 45.62 -999 ? O2 GOL A 951 >VAL^E 106 40.34 54.83 11.11 39.44 53.25 12.37 39.89 54.04 11.74 3 0 39.71 -999 ? O2 GOL A 951 >GLU^E 107 43.42 58.38 14.95 44.79 59.87 14.36 44.11 59.12 14.66 2 0 32.01 -999 ? O2 GOL A 951 >ILE^E 108 39.45 55.43 18.05 38.32 54.51 18.18 38.89 54.97 18.11 3 0 39.34 -999 ? O2 GOL A 951 >LYS^E 109 40.74 59.37 20.30 42.47 62.05 23.89 41.60 60.71 22.10 2 0 32.46 -999 ? O2 GOL A 951 >ILE^E 110 40.15 56.80 24.22 38.92 55.96 24.26 39.53 56.38 24.24 3 0 38.69 -999 ? O2 GOL A 951 >THR^E 111 39.02 60.12 27.06 38.61 62.22 27.40 38.81 61.17 27.23 2 0 35.42 -999 ? O3 GOL A 951 >ALA^E 112 38.74 57.86 30.13 39.46 56.56 29.83 39.10 57.21 29.98 2 0 40.19 -999 ? O2 GOL A 951 >VAL^E 113 38.82 57.67 33.94 36.72 58.02 34.53 37.77 57.84 34.24 3 0 41.89 -999 ? O3 GOL A 951 >LYS.E 114 41.19 55.89 36.33 46.66 55.88 39.57 43.92 55.89 37.95 2 0 42.08 -999 ? O2 GOL A 951 >ARG.E 115 38.97 49.81 36.94 41.66 48.67 35.96 40.31 49.24 36.45 2 0 47.82 -999 ? O2 GOL A 951 >MET?F 1 35.47 58.75 39.60 37.89 61.10 39.01 36.68 59.92 39.31 2 0 41.93 -999 ? O3 GOL A 951 >ASP.F 2 31.08 56.82 40.46 31.63 55.56 42.08 31.36 56.19 41.27 2 0 50.46 -999 ? O3 GOL A 951 >ILE^F 3 31.29 56.45 34.62 32.16 56.29 33.57 31.72 56.37 34.10 3 0 46.10 -999 ? O3 GOL A 951 >ARG^F 4 24.98 58.31 37.89 22.40 59.31 36.52 23.69 58.81 37.20 2 0 51.13 -999 ? O3 GOL A 951 >TYR^F 5 27.18 55.18 31.40 29.77 54.20 31.73 28.47 54.69 31.56 3 0 48.29 -999 ? O3 GOL A 951 >PHE^F 6 23.03 60.94 31.83 23.86 61.72 34.39 23.44 61.33 33.11 3 0 47.87 -999 ? O3 GOL A 951 >GLY^F 7 20.58 57.97 27.13 21.23 57.60 27.47 20.90 57.78 27.30 1 0 50.22 -999 ? O3 GOL A 951 >THR^F 8 22.48 54.68 26.75 23.68 53.62 28.21 23.08 54.15 27.48 2 0 51.16 -999 ? O3 GOL A 951 >THR.F 9 22.19 52.59 23.55 22.38 54.03 21.89 22.28 53.31 22.72 2 0 50.58 -999 ? O3 GOL A 951 >PRO.F 10 22.09 48.50 21.89 23.64 49.91 22.68 22.87 49.20 22.29 3 0 53.78 -999 ? O3 GOL A 951 >ARG.F 11 26.64 52.81 16.92 25.26 51.38 14.57 25.95 52.09 15.75 2 0 50.14 -999 ? O3 GOL A 951 >TYR.F 12 25.80 56.42 20.93 23.36 57.12 19.75 24.58 56.77 20.34 3 0 46.92 -999 ? O3 GOL A 951 >SER^F 13 25.47 57.04 25.41 25.91 55.61 27.32 25.69 56.32 26.37 2 0 48.05 -999 ? O3 GOL A 951 >GLU^F 14 21.80 60.28 23.61 22.24 60.88 21.61 22.02 60.58 22.61 2 0 46.13 -999 ? O3 GOL A 951 >ALA^F 15 25.92 61.81 27.75 25.16 62.93 28.42 25.54 62.37 28.09 2 0 44.10 -999 ? O3 GOL A 951 >VAL^F 16 28.47 60.51 30.24 29.75 58.79 29.67 29.11 59.65 29.96 3 0 43.90 -999 ? O3 GOL A 951 >GLY^F 17 29.33 62.18 33.57 29.55 61.38 33.57 29.44 61.78 33.57 1 0 43.46 -999 ? O3 GOL A 951 >ALA^F 18 32.27 61.59 35.92 33.19 60.57 35.30 32.73 61.08 35.61 2 0 42.87 -999 ? O3 GOL A 951 >ASN.F 19 35.30 63.53 38.61 36.43 64.70 40.02 35.87 64.12 39.32 2 0 40.95 -999 ? O3 GOL A 951 >GLY.F 20 31.59 66.77 37.93 31.89 66.31 37.36 31.74 66.54 37.65 1 0 41.39 -999 ? O3 GOL A 951 >LEU^F 21 33.93 66.36 33.73 35.77 67.52 33.86 34.85 66.94 33.79 3 0 37.08 -999 ? O3 GOL A 951 >ILE^F 22 28.75 66.75 31.52 27.44 67.05 31.88 28.09 66.90 31.70 3 0 40.78 -999 ? O3 GOL A 951 >PHE^F 23 33.28 63.97 28.42 35.69 64.71 29.65 34.48 64.34 29.03 3 0 36.92 -999 ? O3 GOL A 951 >LEU^F 24 27.21 65.80 24.93 25.86 66.94 26.26 26.53 66.37 25.60 3 0 40.27 -999 ? O3 GOL A 951 >SER.F 25 28.04 62.43 22.22 27.37 60.07 22.41 27.71 61.25 22.32 2 0 42.94 -999 ? O3 GOL A 951 >GLY.F 26 28.24 64.32 18.94 27.62 63.92 19.35 27.93 64.12 19.14 1 0 39.04 -999 ? O3 GOL A 951 >MET?F 27 24.85 66.00 18.51 23.12 65.06 21.01 23.99 65.53 19.76 2 0 42.87 -999 ? O3 GOL A 951 >VAL.F 28 23.50 65.68 14.98 24.02 63.59 14.61 23.76 64.64 14.80 3 0 42.24 -999 ? O3 GOL A 951 >PRO.F 29 22.19 68.11 11.69 21.18 67.06 13.39 21.68 67.59 12.54 3 0 42.44 -999 ? O3 GOL A 951 >GLU.F 30 17.70 64.37 15.94 17.18 64.06 17.96 17.44 64.21 16.95 2 0 48.09 -999 ? O3 GOL A 951 >ASN.F 31 14.40 69.19 13.23 13.02 67.85 14.13 13.71 68.52 13.68 2 0 49.88 -999 ? O3 GOL A 951 >GLY.F 32 15.84 71.23 9.56 15.96 70.46 9.30 15.90 70.85 9.43 1 0 46.28 -999 ? O3 GOL A 951 >GLU.F 33 15.31 72.90 4.89 13.61 72.65 3.63 14.46 72.77 4.26 2 0 48.88 -999 ? O3 GOL A 951 >THR~F 34 19.21 74.83 6.36 17.76 76.43 6.45 18.48 75.63 6.41 2 0 43.23 -999 ? O3 GOL A 951 >ALA~F 35 22.39 75.44 8.40 23.56 76.28 7.90 22.98 75.86 8.15 2 0 37.61 -999 ? O3 GOL A 951 >ALA~F 36 20.42 77.73 10.72 19.77 79.03 10.28 20.10 78.38 10.50 2 0 39.95 -999 ? O3 GOL A 951 >GLU~F 37 15.57 75.94 9.76 14.41 75.46 8.04 14.99 75.70 8.90 2 0 46.36 -999 ? O3 GOL A 951 >GLN~F 38 19.98 70.93 9.72 21.13 69.73 8.39 20.55 70.33 9.05 2 0 42.37 -999 ? O3 GOL A 951 >THR~F 39 22.18 74.30 14.18 23.82 75.70 13.96 23.00 75.00 14.07 2 0 36.85 -999 ? O3 GOL A 951 >ALA~F 40 19.05 75.33 16.12 17.83 76.07 15.55 18.44 75.70 15.83 2 0 42.32 -999 ? O3 GOL A 951 >ASP~F 41 17.51 70.77 15.25 17.04 68.83 15.95 17.28 69.80 15.60 2 0 45.82 -999 ? O3 GOL A 951 >VAL~F 42 21.43 70.53 17.49 23.34 69.99 16.51 22.38 70.26 17.00 3 0 40.45 -999 ? O3 GOL A 951 >LEU~F 43 21.69 74.74 19.94 23.56 75.76 19.41 22.63 75.25 19.67 3 0 38.33 -999 ? O3 GOL A 951 >ALA~F 44 18.14 72.17 21.51 16.91 72.02 20.63 17.52 72.10 21.07 2 0 44.91 -999 ? O3 GOL A 951 >GLN~F 45 19.05 67.33 19.81 19.91 66.22 18.22 19.48 66.78 19.02 2 0 44.65 -999 ? O3 GOL A 951 >ILE~F 46 23.51 70.80 23.37 24.65 71.16 22.85 24.08 70.98 23.11 3 0 39.34 -999 ? O3 GOL A 951 >ASP~F 47 19.09 73.00 25.58 19.94 74.85 25.03 19.51 73.92 25.31 2 0 41.86 -999 ? O3 GOL A 951 >ARG~F 48 14.97 68.02 24.61 15.24 68.41 21.58 15.10 68.22 23.09 2 0 48.01 -999 ? O3 GOL A 951 >TRP~F 49 20.85 64.83 24.29 19.69 61.80 26.51 20.27 63.32 25.40 3 0 46.91 -999 ? O3 GOL A 951 >LEU~F 50 23.22 70.50 29.25 25.14 71.04 28.38 24.18 70.77 28.81 3 0 40.85 -999 ? O3 GOL A 951 >ALA~F 51 19.64 69.37 31.76 18.26 69.83 31.27 18.95 69.60 31.52 2 0 47.03 -999 ? O3 GOL A 951 >GLU~F 52 18.27 64.41 30.21 17.08 62.77 30.86 17.68 63.59 30.54 2 0 51.17 -999 ? O3 GOL A 951 >CYH~F 53 23.10 65.69 33.54 24.12 64.59 31.20 23.61 65.14 32.37 2 0 44.82 -999 ? O3 GOL A 951 >GLY.F 54 22.49 68.60 35.95 22.88 68.68 35.21 22.68 68.64 35.58 1 0 45.96 -999 ? O3 GOL A 951 >SER.F 55 24.06 71.24 33.71 26.20 71.78 32.68 25.13 71.51 33.20 2 0 40.22 -999 ? O3 GOL A 951 >ASP~F 56 22.28 74.94 31.90 23.35 75.93 33.43 22.81 75.44 32.66 2 0 41.30 -999 ? O3 GOL A 951 >LYS~F 57 24.58 76.08 28.33 20.19 79.71 25.66 22.39 77.89 27.00 2 0 40.35 -999 ? O3 GOL A 951 >ALA~F 58 26.06 78.53 30.88 25.22 79.44 31.79 25.64 78.98 31.33 2 0 37.96 -999 ? O3 GOL A 951 >HIS.F 59 27.19 75.64 34.50 26.55 76.84 36.10 26.87 76.24 35.30 3 0 39.19 -999 ? O3 GOL A 951 >VAL^F 60 29.67 74.45 28.88 28.77 74.17 26.88 29.22 74.31 27.88 3 0 34.78 -999 ? O3 GOL A 951 >LEU^F 61 34.29 73.14 29.70 34.56 73.12 31.84 34.43 73.13 30.77 3 0 32.46 -999 ? O3 GOL A 951 >ASP^F 62 35.07 72.11 25.44 36.27 72.08 23.73 35.67 72.09 24.59 2 0 28.97 -999 ? O3 GOL A 951 >ALA^F 63 32.40 72.90 22.00 31.36 73.97 21.72 31.88 73.44 21.86 2 0 31.40 -999 ? O3 GOL A 951 >VAL^F 64 33.84 71.27 18.93 35.55 69.88 18.81 34.69 70.58 18.87 3 0 30.12 -999 ? O3 GOL A 951 >ILE^F 65 31.38 73.58 15.72 30.44 74.63 15.88 30.91 74.11 15.80 3 0 31.09 -999 ? O3 GOL A 951 >TYR^F 66 33.03 68.05 13.65 34.92 67.01 15.44 33.97 67.53 14.54 3 0 32.47 -999 ? O3 GOL A 951 >LEU^F 67 30.62 73.07 9.06 29.48 74.73 9.93 30.05 73.90 9.50 3 0 32.49 -999 ? O3 GOL A 951 >ARG.F 68 27.98 68.38 3.38 25.14 69.54 3.23 26.56 68.96 3.30 2 0 40.27 -999 ? O3 GOL A 951 >ASP~F 69 29.65 72.92 3.08 30.47 74.18 1.60 30.06 73.55 2.34 2 0 34.35 -999 ? O3 GOL A 951 >MET?F 70 32.65 75.62 5.66 34.27 76.81 8.15 33.46 76.21 6.90 2 0 27.82 -999 ? O3 GOL A 951 >GLY~F 71 30.42 78.00 3.65 30.23 77.59 4.31 30.32 77.79 3.98 1 0 32.08 -999 ? O3 GOL A 951 >ASP~F 72 27.14 76.14 6.64 25.81 75.51 5.09 26.47 75.82 5.86 2 0 36.55 -999 ? O3 GOL A 951 >TYR~F 73 32.33 80.02 9.81 33.95 80.72 11.98 33.14 80.37 10.90 3 0 26.84 -999 ? O3 GOL A 951 >ALA~F 74 28.27 82.61 9.16 28.27 83.67 8.06 28.27 83.14 8.61 2 0 31.17 -999 ? O3 GOL A 951 >GLU~F 75 22.59 80.17 8.11 21.73 79.07 6.51 22.16 79.62 7.31 2 0 38.76 -999 ? O3 GOL A 951 >MET?F 76 25.84 78.52 11.78 28.21 77.45 14.20 27.02 77.99 12.99 2 0 32.12 -999 ? O3 GOL A 951 >ASN~F 77 28.62 82.21 13.42 30.48 81.18 13.21 29.55 81.69 13.32 2 0 28.81 -999 ? O3 GOL A 951 >GLY~F 78 24.31 83.48 13.76 24.42 82.76 14.11 24.36 83.12 13.93 1 0 34.26 -999 ? O3 GOL A 951 >VAL~F 79 22.35 80.79 15.63 21.11 79.13 14.88 21.73 79.96 15.25 3 0 37.48 -999 ? O3 GOL A 951 >TRP~F 80 28.50 80.59 18.93 28.93 77.11 20.73 28.72 78.85 19.83 3 0 31.43 -999 ? O3 GOL A 951 >ASP~F 81 26.16 84.82 18.02 28.03 84.57 17.06 27.09 84.69 17.54 2 0 30.41 -999 ? O3 GOL A 951 >ALA~F 82 22.08 83.93 19.89 20.96 84.00 18.86 21.52 83.97 19.38 2 0 37.60 -999 ? O3 GOL A 951 >TRP~F 83 21.01 77.53 22.70 24.53 76.04 23.71 22.77 76.79 23.21 3 0 38.21 -999 ? O3 GOL A 951 >VAL~F 84 25.31 81.14 24.04 27.07 81.57 22.80 26.19 81.35 23.42 3 0 33.77 -999 ? O3 GOL A 951 >ALA.F 85 25.09 82.69 27.52 25.09 81.86 28.80 25.09 82.28 28.16 2 0 36.32 -999 ? O3 GOL A 951 >ALA.F 86 26.56 86.22 27.75 25.75 87.53 27.78 26.16 86.88 27.77 2 0 34.60 -999 ? O3 GOL A 951 >GLY.F 87 29.81 86.41 29.75 29.54 85.73 29.38 29.67 86.07 29.56 1 0 31.77 -999 ? O3 GOL A 951 >ARG.F 88 27.94 82.10 33.15 29.46 80.29 35.13 28.70 81.20 34.14 2 0 35.85 -999 ? O3 GOL A 951 >THR.F 89 30.83 81.57 26.25 31.02 83.41 25.13 30.93 82.49 25.69 2 0 29.29 -999 ? O3 GOL A 951 >PRO.F 90 30.97 77.51 24.55 32.25 78.80 25.87 31.61 78.16 25.21 3 0 30.30 -999 ? O3 GOL A 951 >ALA^F 91 36.05 77.32 24.32 37.11 76.39 24.87 36.58 76.86 24.59 2 0 26.33 -999 ? O3 GOL A 951 >ARG^F 92 32.29 78.24 18.93 31.51 79.52 16.25 31.90 78.88 17.59 2 0 28.28 -999 ? O3 GOL A 951 >ALA^F 93 36.73 75.19 17.53 37.79 74.09 17.69 37.26 74.64 17.61 2 0 25.42 -999 ? O3 GOL A 951 >CYH^F 94 35.17 74.87 14.15 33.16 75.65 12.41 34.16 75.26 13.28 2 0 28.54 -999 ? O3 GOL A 951 >VAL^F 95 36.53 72.68 11.36 37.80 71.27 12.51 37.16 71.97 11.94 3 0 27.36 -999 ? O3 GOL A 951 >GLU^F 96 34.22 71.41 5.80 34.72 71.93 3.81 34.47 71.67 4.81 2 0 31.32 -999 ? O3 GOL A 951 >ALA.F 97 34.33 67.42 8.10 34.72 66.79 9.44 34.52 67.11 8.77 2 0 32.97 -999 ? O3 GOL A 951 >ARG.F 98 32.15 63.98 2.63 34.34 63.94 0.46 33.24 63.96 1.54 2 0 37.81 -999 ? O3 GOL A 951 >LEU.F 99 28.28 64.57 9.32 28.81 66.55 10.20 28.55 65.56 9.76 3 0 38.29 -999 ? O3 GOL A 951 >ALA.F 100 27.52 60.18 8.91 27.06 59.49 10.20 27.29 59.83 9.56 2 0 43.32 -999 ? O3 GOL A 951 >ARG.F 101 21.48 59.92 8.61 19.54 58.80 10.73 20.51 59.36 9.67 2 0 49.34 -999 ? O3 GOL A 951 >PRO.F 102 23.84 61.93 2.36 24.81 63.00 4.08 24.33 62.46 3.22 3 0 44.79 -999 ? O3 GOL A 951 >GLU.F 103 20.28 64.02 5.75 20.49 62.10 4.86 20.39 63.06 5.30 2 0 47.56 -999 ? O3 GOL A 951 >TRP.F 104 21.88 64.69 9.43 23.60 61.79 11.48 22.74 63.24 10.45 3 0 44.16 -999 ? O3 GOL A 951 >ARG.F 105 22.43 72.09 6.11 22.30 73.36 3.32 22.37 72.73 4.71 2 0 40.96 -999 ? O3 GOL A 951 >VAL^F 106 26.44 70.44 11.39 25.57 72.02 12.67 26.01 71.23 12.03 3 0 36.93 -999 ? O3 GOL A 951 >GLU^F 107 28.28 66.04 15.19 28.91 64.10 14.64 28.59 65.07 14.92 2 0 38.53 -999 ? O3 GOL A 951 >ILE^F 108 27.61 70.96 18.30 27.34 72.35 18.47 27.47 71.65 18.38 3 0 35.41 -999 ? O3 GOL A 951 >LYS^F 109 30.59 68.02 20.53 31.71 62.87 21.53 31.15 65.44 21.03 2 0 37.80 -999 ? O3 GOL A 951 >ILE^F 110 28.64 69.82 24.39 28.50 71.35 24.54 28.57 70.58 24.46 3 0 36.06 -999 ? O3 GOL A 951 >THR^F 111 32.14 69.11 27.18 34.14 68.27 27.39 33.14 68.69 27.28 2 0 34.00 -999 ? O3 GOL A 951 >ALA^F 112 30.50 70.71 30.20 28.99 70.82 29.91 29.74 70.77 30.06 2 0 37.34 -999 ? O3 GOL A 951 >VAL.F 113 30.36 70.83 33.98 31.80 71.89 35.28 31.08 71.36 34.63 3 0 37.64 -999 ? O3 GOL A 951 >LYS.F 114 27.65 69.68 36.42 25.27 64.79 39.72 26.46 67.24 38.07 2 0 47.58 -999 ? O3 GOL A 951 >ARG.F 115 23.29 74.49 37.25 21.12 72.49 36.36 22.20 73.49 36.80 2 0 45.64 -999 ? O3 GOL A 951 >ASP.F 116 28.57 73.40 42.91 30.33 73.06 41.79 29.45 73.23 42.35 2 0 41.54 -999 ? O3 GOL A 951 >MET?G 1 42.49 121.12 35.48 39.85 119.66 33.96 41.17 120.39 34.72 2 0 39.92 -999 ? O3 GOL A 951 >ASP.G 2 45.24 125.17 35.39 44.16 126.84 36.16 44.70 126.00 35.77 2 0 45.04 -999 ? O3 GOL A 951 >ILE.G 3 45.27 124.94 29.82 44.34 124.92 28.68 44.80 124.93 29.25 3 0 40.41 -999 ? O3 GOL A 951 >ARG^G 4 52.91 122.21 31.59 55.87 121.47 32.14 54.39 121.84 31.87 2 0 35.68 -999 ? O1 GOL B 950 >TYR^G 5 48.82 126.60 26.27 46.15 127.31 26.75 47.49 126.95 26.51 3 0 40.61 -999 ? O3 GOL A 951 >PHE^G 6 53.97 121.38 26.30 53.63 120.21 28.82 53.80 120.80 27.56 3 0 33.99 -999 ? O3 GOL A 951 >GLY^G 7 55.60 124.96 21.68 54.89 125.19 22.08 55.24 125.07 21.88 1 0 34.27 -999 ? O1 GOL B 950 >THR^G 8 53.06 127.75 21.40 51.72 128.62 22.86 52.39 128.19 22.13 2 0 39.72 -999 ? O1 GOL B 950 >THR.G 9 53.02 129.62 18.08 52.99 128.14 16.45 53.00 128.88 17.26 2 0 37.70 -999 ? O1 GOL B 950 >PRO.G 10 52.59 133.42 15.93 51.25 132.04 17.11 51.92 132.73 16.52 3 0 41.55 -999 ? O1 GOL B 950 >ARG.G 11 48.41 128.40 11.76 49.32 129.90 9.26 48.86 129.15 10.51 2 0 41.96 -999 ? O3 GOL A 951 >TYR.G 12 49.88 125.21 15.81 52.26 124.58 14.48 51.07 124.90 15.15 3 0 36.25 -999 ? O3 GOL A 951 >SER^G 13 50.50 124.87 20.32 50.03 126.24 22.28 50.26 125.56 21.30 2 0 38.39 -999 ? O3 GOL A 951 >GLU^G 14 54.57 122.33 18.34 54.36 121.57 16.36 54.46 121.95 17.35 2 0 32.46 -999 ? O3 GOL A 951 >ALA^G 15 50.96 120.19 22.67 52.02 119.32 23.32 51.49 119.76 22.99 2 0 31.59 -999 ? O3 GOL A 951 >VAL^G 16 48.36 121.18 25.24 46.96 122.79 24.77 47.66 121.98 25.00 3 0 35.57 -999 ? O3 GOL A 951 >GLY^G 17 47.92 119.44 28.60 47.59 120.19 28.56 47.76 119.82 28.58 1 0 34.38 -999 ? O3 GOL A 951 >ALA^G 18 44.94 119.54 30.99 43.84 120.47 30.47 44.39 120.00 30.73 2 0 37.38 -999 ? O3 GOL A 951 >ASN.G 19 42.13 117.07 33.51 41.17 115.72 34.91 41.65 116.40 34.21 2 0 36.88 -999 ? O3 GOL A 951 >GLY.G 20 46.15 114.24 32.80 45.89 114.73 32.23 46.02 114.48 32.51 1 0 32.60 -999 ? O3 GOL A 951 >LEU^G 21 44.03 114.53 28.44 42.39 113.10 28.35 43.21 113.82 28.40 3 0 31.42 -999 ? O3 GOL A 951 >ILE^G 22 49.32 115.05 26.47 50.63 114.97 26.82 49.97 115.01 26.65 3 0 29.16 -999 ? O3 GOL A 951 >PHE^G 23 44.22 117.04 23.59 41.96 115.93 24.81 43.09 116.48 24.20 3 0 32.21 -999 ? O3 GOL A 951 >LEU^G 24 50.30 115.87 19.94 51.95 115.09 21.14 51.12 115.48 20.54 3 0 27.53 -999 ? O3 GOL A 951 >SER.G 25 48.83 119.06 17.24 49.08 121.50 17.40 48.95 120.28 17.32 2 0 33.45 -999 ? O3 GOL A 951 >GLY.G 26 48.71 117.06 14.02 49.29 117.59 14.41 49.00 117.32 14.22 1 0 29.29 -999 ? O3 GOL A 951 >MET?G 27 52.32 116.07 13.34 54.21 117.09 15.81 53.27 116.58 14.58 2 0 28.03 -999 ? O3 GOL A 951 >VAL.G 28 53.51 116.65 9.77 52.53 118.57 9.45 53.02 117.61 9.61 3 0 29.31 -999 ? O3 GOL A 951 >PRO.G 29 55.11 114.34 6.46 55.93 115.63 8.10 55.52 114.99 7.28 3 0 26.99 -999 ? C1 GOL A 951 >GLU.G 30 59.26 118.74 10.41 59.88 119.28 12.37 59.57 119.01 11.39 2 0 26.96 -999 ? O1 GOL B 950 >ASN.G 31 62.95 114.19 7.37 64.10 115.61 8.46 63.53 114.90 7.92 2 0 22.29 -999 ? O1 GOL B 950 >GLY.G 32 61.34 112.11 3.90 61.12 112.87 3.68 61.23 112.49 3.79 1 0 24.82 -999 ? O1 GOL B 950 >GLU.G 33 61.61 110.86 -0.77 62.67 110.91 -2.61 62.14 110.88 -1.69 2 0 27.09 -999 ? O1 GOL B 950 >THR~G 34 58.04 108.23 0.77 59.68 106.78 0.77 58.86 107.50 0.77 2 0 22.28 -999 ? C1 GOL A 951 >ALA~G 35 55.18 107.29 3.09 53.99 106.40 2.74 54.58 106.85 2.92 2 0 21.67 -999 ? O3 GOL A 951 >ALA~G 36 57.62 105.09 5.09 58.42 103.90 4.52 58.02 104.49 4.80 2 0 17.87 -999 ? C1 GOL A 951 >GLU~G 37 62.22 107.56 3.90 62.69 108.04 1.88 62.46 107.80 2.89 2 0 22.56 -999 ? C1 GOL A 951 >GLN~G 38 57.25 111.75 4.29 55.98 113.07 3.20 56.61 112.41 3.75 2 0 26.67 -999 ? C1 GOL A 951 >THR~G 39 55.78 108.14 8.88 54.36 106.51 8.67 55.07 107.33 8.77 2 0 18.83 -999 ? O3 GOL A 951 >ALA~G 40 59.18 107.52 10.54 60.41 106.96 9.83 59.80 107.24 10.18 2 0 17.95 -999 ? C1 GOL A 951 >ASP~G 41 60.03 112.26 9.62 60.40 114.21 10.31 60.21 113.24 9.97 2 0 24.31 -999 ? O1 GOL B 950 >VAL~G 42 56.32 111.93 12.14 54.32 112.33 11.32 55.32 112.13 11.73 3 0 23.26 -999 ? O3 GOL A 951 >LEU~G 43 56.69 107.69 14.55 54.93 106.53 13.95 55.81 107.11 14.25 3 0 17.96 -999 ? O3 GOL A 951 >ALA~G 44 60.12 110.49 15.80 61.33 110.61 14.88 60.73 110.55 15.34 2 0 20.77 -999 ? C1 GOL A 951 >GLN~G 45 58.59 115.39 14.13 57.39 116.38 12.67 57.99 115.89 13.40 2 0 26.96 -999 ? C1 GOL A 951 >ILE~G 46 54.73 111.31 17.84 53.41 110.84 17.54 54.07 111.07 17.69 3 0 22.22 -999 ? O3 GOL A 951 >ASP~G 47 59.50 109.61 20.03 58.83 107.65 19.60 59.16 108.63 19.81 2 0 18.54 -999 ? C1 GOL A 951 >ARG~G 48 63.03 114.96 18.71 62.56 114.79 15.66 62.79 114.87 17.18 2 0 22.18 -999 ? O1 GOL B 950 >TRP~G 49 56.54 117.89 19.05 56.94 120.99 21.43 56.74 119.44 20.24 3 0 29.97 -999 ? O1 GOL B 950 >LEU~G 50 55.24 111.72 23.85 53.32 111.06 23.06 54.28 111.39 23.45 3 0 23.77 -999 ? O3 GOL A 951 >ALA~G 51 58.91 113.12 26.14 60.26 112.78 25.54 59.58 112.95 25.84 2 0 25.22 -999 ? C1 GOL A 951 >GLU~G 52 59.82 118.92 25.49 61.70 117.92 25.34 60.76 118.42 25.41 2 0 26.58 -999 ? O1 GOL B 950 >CYH~G 53 55.11 116.33 28.08 53.67 117.56 25.99 54.39 116.95 27.04 2 0 30.46 -999 ? O3 GOL A 951 >GLY.G 54 56.21 113.57 30.53 55.81 113.46 29.82 56.01 113.52 30.17 1 0 28.62 -999 ? O3 GOL A 951 >SER.G 55 54.79 110.84 28.31 52.67 110.27 27.24 53.73 110.56 27.78 2 0 24.63 -999 ? O3 GOL A 951 >ASP~G 56 56.95 107.34 26.38 56.16 106.07 27.89 56.55 106.70 27.14 2 0 20.95 -999 ? O3 GOL A 951 >LYS~G 57 54.52 106.05 22.99 59.17 102.89 19.99 56.85 104.47 21.49 2 0 14.11 -999 ? C1 GOL A 951 >ALA~G 58 53.31 103.46 25.52 54.26 102.52 26.30 53.79 102.99 25.91 2 0 17.50 -999 ? O3 GOL A 951 >HIS.G 59 52.30 106.13 29.37 53.24 104.92 30.80 52.77 105.52 30.09 3 0 22.46 -999 ? O3 GOL A 951 >VAL^G 60 49.24 107.04 23.97 50.02 107.53 21.96 49.63 107.28 22.97 3 0 21.20 -999 ? O3 GOL A 951 >LEU^G 61 44.57 107.58 25.02 44.47 107.72 27.20 44.52 107.65 26.11 3 0 25.14 -999 ? O3 GOL A 951 >ASP^G 62 43.29 108.43 21.02 42.03 108.60 19.36 42.66 108.51 20.19 2 0 25.35 -999 ? O3 GOL A 951 >ALA^G 63 45.97 108.10 17.29 47.20 107.21 17.03 46.59 107.65 17.16 2 0 20.97 -999 ? O3 GOL A 951 >VAL^G 64 44.35 109.38 14.12 42.41 110.35 13.98 43.38 109.86 14.05 3 0 25.26 -999 ? O3 GOL A 951 >ILE^G 65 47.05 107.52 10.72 47.96 106.62 10.89 47.51 107.07 10.80 3 0 21.14 -999 ? O3 GOL A 951 >TYR^G 66 44.30 112.86 9.04 42.63 113.67 11.12 43.47 113.27 10.08 3 0 28.53 -999 ? O3 GOL A 951 >LEU^G 67 46.96 108.16 4.30 48.33 106.70 5.14 47.64 107.43 4.72 3 0 23.46 -999 ? O3 GOL A 951 >ARG.G 68 49.21 113.68 -1.08 48.13 116.06 -2.74 48.67 114.87 -1.91 2 0 33.81 -999 ? O3 GOL A 951 >ASP~G 69 47.51 108.46 -1.65 46.99 107.13 -3.25 47.25 107.80 -2.45 2 0 28.07 -999 ? O3 GOL A 951 >MET?G 70 45.10 105.28 0.98 43.90 104.06 3.65 44.50 104.67 2.32 2 0 23.57 -999 ? O3 GOL A 951 >GLY~G 71 47.42 103.56 -1.52 47.56 103.88 -0.78 47.49 103.72 -1.15 1 0 24.55 -999 ? O3 GOL A 951 >ASP~G 72 50.68 105.57 1.40 51.62 106.53 -0.25 51.15 106.05 0.58 2 0 24.15 -999 ? O3 GOL A 951 >TYR~G 73 46.32 101.07 4.88 45.07 100.26 7.24 45.69 100.66 6.06 3 0 19.20 -999 ? O3 GOL A 951 >ALA~G 74 50.56 99.06 3.93 50.67 97.98 2.86 50.62 98.52 3.40 2 0 16.95 -999 ? O3 GOL A 951 >GLU~G 75 55.57 102.66 2.78 56.21 103.75 1.08 55.89 103.20 1.93 2 0 20.37 -999 ? C3 GOL A 951 >MET?G 76 52.52 103.36 6.57 50.31 104.11 9.15 51.41 103.74 7.86 2 0 17.83 -999 ? O3 GOL A 951 >ASN~G 77 50.51 99.31 8.38 48.53 100.07 8.49 49.52 99.69 8.43 2 0 15.93 -999 ? O3 GOL A 951 >GLY~G 78 55.05 98.74 8.37 54.82 99.44 8.74 54.94 99.09 8.56 1 0 12.14 -999 ? O3 GOL A 951 >VAL~G 79 56.59 101.74 10.16 57.60 103.53 9.36 57.09 102.63 9.76 3 0 14.50 -999 ? O3 GOL A 951 >TRP~G 80 50.72 101.10 13.91 50.03 104.53 15.72 50.37 102.81 14.81 3 0 15.52 -999 ? O3 GOL A 951 >ASP~G 81 53.66 97.26 12.54 51.65 97.10 11.80 52.65 97.18 12.17 2 0 10.69 -999 ? O3 GOL A 951 >ALA~G 82 57.60 98.49 14.30 58.69 98.55 13.26 58.15 98.52 13.78 2 0 9.31 -999 ? C1 GOL A 951 >TRP~G 83 57.80 105.02 16.96 54.24 106.06 18.28 56.02 105.54 17.62 3 0 16.48 -999 ? O3 GOL A 951 >VAL~G 84 54.25 100.94 18.72 52.44 100.24 17.65 53.34 100.59 18.19 3 0 12.51 -999 ? O3 GOL A 951 >ALA.G 85 54.88 99.69 22.27 54.69 100.50 23.54 54.79 100.10 22.91 2 0 14.20 -999 ? O3 GOL A 951 >ALA.G 86 54.04 96.00 22.35 55.05 94.89 22.21 54.55 95.44 22.28 2 0 9.25 -999 ? O3 GOL A 951 >GLY.G 87 50.97 95.26 24.50 51.16 95.98 24.20 51.06 95.62 24.35 1 0 12.92 -999 ? O3 GOL A 951 >ARG.G 88 52.32 99.74 28.01 50.92 101.20 30.31 51.62 100.47 29.16 2 0 20.31 -999 ? O3 GOL A 951 >THR.G 89 49.03 99.83 21.33 48.98 97.95 20.28 49.00 98.89 20.81 2 0 13.41 -999 ? O3 GOL A 951 >PRO.G 90 48.13 103.77 19.61 47.20 102.36 21.10 47.66 103.07 20.36 3 0 17.90 -999 ? O3 GOL A 951 >ALA^G 91 43.13 103.27 19.88 42.02 104.07 20.52 42.58 103.67 20.20 2 0 22.35 -999 ? O3 GOL A 951 >ARG^G 92 46.75 102.72 14.11 47.31 101.62 11.31 47.03 102.17 12.71 2 0 16.83 -999 ? O3 GOL A 951 >ALA^G 93 41.81 105.24 13.11 40.59 106.13 13.35 41.20 105.68 13.23 2 0 24.30 -999 ? O3 GOL A 951 >CYH^G 94 43.23 105.76 9.64 45.17 105.16 7.68 44.20 105.46 8.66 2 0 21.82 -999 ? O3 GOL A 951 >VAL^G 95 41.42 107.74 6.93 40.03 108.89 8.28 40.72 108.32 7.60 3 0 26.86 -999 ? O3 GOL A 951 >GLU^G 96 42.83 109.33 1.16 42.09 108.74 -0.73 42.46 109.03 0.21 2 0 29.87 -999 ? O3 GOL A 951 >ALA.G 97 42.57 113.15 3.67 42.10 113.71 5.02 42.34 113.43 4.35 2 0 30.93 -999 ? O3 GOL A 951 >ARG.G 98 44.09 116.28 -1.90 45.25 115.84 -4.70 44.67 116.06 -3.30 2 0 35.66 -999 ? O3 GOL A 951 >LEU.G 99 48.23 116.99 4.69 48.07 115.03 5.66 48.15 116.01 5.17 3 0 30.25 -999 ? O3 GOL A 951 >ALA.G 100 48.27 121.35 3.99 48.50 122.21 5.24 48.39 121.78 4.61 2 0 35.73 -999 ? O3 GOL A 951 >ARG.G 101 54.45 122.38 3.11 55.86 124.68 1.65 55.15 123.53 2.38 2 0 35.89 -999 ? O1 GOL B 950 >PRO.G 102 51.60 120.18 -2.73 51.07 118.91 -0.94 51.34 119.55 -1.84 3 0 35.45 -999 ? O3 GOL A 951 >GLU.G 103 55.93 118.24 0.58 55.40 120.26 0.22 55.67 119.25 0.40 2 0 34.40 -999 ? C1 GOL A 951 >TRP.G 104 54.56 117.64 4.16 52.75 120.38 6.34 53.66 119.01 5.25 3 0 31.69 -999 ? O3 GOL A 951 >ARG.G 105 53.64 110.25 -0.25 51.58 110.40 -2.53 52.61 110.33 -1.39 2 0 28.44 -999 ? O3 GOL A 951 >VAL^G 106 50.88 111.36 6.31 52.11 109.94 7.50 51.49 110.65 6.91 3 0 23.88 -999 ? O3 GOL A 951 >GLU^G 107 48.96 115.60 10.38 47.99 117.44 9.90 48.48 116.52 10.14 2 0 30.36 -999 ? O3 GOL A 951 >ILE^G 108 50.30 110.69 13.25 50.69 109.27 13.36 50.49 109.98 13.31 3 0 22.09 -999 ? O3 GOL A 951 >LYS^G 109 47.10 113.31 15.58 45.57 118.22 16.76 46.34 115.76 16.17 2 0 31.50 -999 ? O3 GOL A 951 >ILE^G 110 49.35 111.82 19.44 49.71 110.37 19.63 49.53 111.09 19.53 3 0 23.72 -999 ? O3 GOL A 951 >THR^G 111 46.05 112.06 22.43 43.94 112.46 22.80 45.00 112.26 22.62 2 0 28.07 -999 ? O3 GOL A 951 >ALA^G 112 48.21 110.84 25.33 49.68 110.94 24.96 48.95 110.89 25.15 2 0 25.05 -999 ? O3 GOL A 951 >VAL.G 113 48.56 110.66 29.12 47.10 109.61 30.41 47.83 110.14 29.77 3 0 27.25 -999 ? O3 GOL A 951 >LYS.G 114 51.42 111.58 31.48 49.00 116.46 31.32 50.21 114.02 31.40 2 0 32.71 -999 ? O3 GOL A 951 >ARG.G 115 56.35 106.86 31.69 59.07 108.10 30.93 57.71 107.48 31.31 2 0 24.26 -999 ? C1 GOL A 951 >HIS.H 0 33.49 113.90 40.29 35.28 113.95 41.39 34.38 113.93 40.84 3 0 42.53 -999 ? O3 GOL A 951 >MET?H 1 31.97 111.45 35.34 35.28 110.92 34.60 33.63 111.18 34.97 2 0 36.75 -999 ? O3 GOL A 951 >ASP.H 2 27.89 113.87 36.33 26.91 112.91 37.96 27.40 113.39 37.14 2 0 45.07 -999 ? O3 GOL A 951 >ILE^H 3 27.36 112.98 30.53 27.86 112.21 29.45 27.61 112.59 29.99 3 0 40.96 -999 ? O3 GOL A 951 >ARG^H 4 25.48 120.85 32.39 22.79 122.34 32.02 24.14 121.60 32.20 2 0 51.05 -999 ? O3 GOL A 951 >TYR^H 5 23.83 115.29 27.19 24.64 112.63 27.62 24.23 113.96 27.41 3 0 43.49 -999 ? O3 GOL A 951 >PHE^H 6 25.66 122.27 27.09 26.82 122.54 29.61 26.24 122.41 28.35 3 0 47.66 -999 ? O3 GOL A 951 >GLY^H 7 21.63 121.85 22.63 21.78 121.12 22.98 21.70 121.49 22.81 1 0 49.34 -999 ? O3 GOL A 951 >THR^H 8 20.35 118.31 22.33 20.44 116.77 23.85 20.39 117.54 23.09 2 0 47.29 -999 ? O3 GOL A 951 >THR.H 9 18.72 117.01 19.15 19.94 117.77 17.48 19.33 117.39 18.32 2 0 47.58 -999 ? O3 GOL A 951 >PRO.H 10 15.49 114.37 17.79 17.64 114.14 18.40 16.57 114.25 18.10 3 0 48.45 -999 ? O3 GOL A 951 >ARG.H 11 21.85 113.66 12.63 19.74 113.70 10.40 20.80 113.68 11.52 2 0 45.66 -999 ? O3 GOL A 951 >TYR.H 12 23.89 116.78 16.63 22.84 119.06 15.41 23.36 117.92 16.02 3 0 44.94 -999 ? O3 GOL A 951 >SER^H 13 24.22 117.48 21.11 23.36 116.42 23.10 23.79 116.95 22.10 2 0 44.65 -999 ? O3 GOL A 951 >GLU^H 14 24.15 122.35 19.19 24.84 122.40 17.17 24.50 122.38 18.18 2 0 46.89 -999 ? O3 GOL A 951 >ALA^H 15 28.06 120.33 23.33 28.42 121.65 23.97 28.24 120.99 23.65 2 0 44.65 -999 ? O3 GOL A 951 >VAL^H 16 28.82 117.62 25.88 28.22 115.55 25.33 28.52 116.58 25.60 3 0 41.44 -999 ? O3 GOL A 951 >GLY^H 17 30.49 118.13 29.28 30.06 117.45 29.19 30.28 117.79 29.23 1 0 42.18 -999 ? O3 GOL A 951 >ALA^H 18 32.06 115.53 31.59 31.95 114.14 31.00 32.01 114.83 31.29 2 0 39.21 -999 ? O3 GOL A 951 >ASN.H 19 35.48 114.63 34.41 36.97 114.60 35.95 36.22 114.62 35.18 2 0 38.77 -999 ? O3 GOL A 951 >GLY.H 20 35.64 119.47 33.28 35.48 118.92 32.74 35.56 119.19 33.01 1 0 41.57 -999 ? O3 GOL A 951 >LEU^H 21 36.63 117.13 29.12 38.59 116.34 28.64 37.61 116.73 28.88 3 0 36.72 -999 ? O3 GOL A 951 >ILE^H 22 33.69 121.33 26.84 33.22 122.53 27.17 33.46 121.93 27.00 3 0 42.43 -999 ? O3 GOL A 951 >PHE^H 23 34.34 116.05 23.89 36.40 114.70 25.21 35.37 115.38 24.55 3 0 35.70 -999 ? O3 GOL A 951 >LEU^H 24 31.97 121.88 20.45 31.92 123.68 21.70 31.94 122.78 21.07 3 0 42.79 -999 ? O3 GOL A 951 >SER.H 25 29.84 118.98 17.78 27.61 117.98 17.87 28.73 118.48 17.83 2 0 41.85 -999 ? O3 GOL A 951 >GLY.H 26 31.53 119.90 14.51 30.79 120.14 14.91 31.16 120.02 14.71 1 0 40.47 -999 ? O3 GOL A 951 >MET?H 27 30.63 123.53 13.89 28.88 124.68 16.49 29.76 124.11 15.19 2 0 45.83 -999 ? O3 GOL A 951 >VAL.H 28 29.37 124.30 10.36 28.12 122.52 10.01 28.74 123.41 10.18 3 0 45.24 -999 ? O3 GOL A 951 >PRO.H 29 30.08 126.93 6.96 28.76 126.94 8.80 29.42 126.94 7.88 3 0 47.85 -999 ? O3 GOL A 951 >GLU.H 30 24.62 128.34 11.50 23.67 128.68 13.36 24.15 128.51 12.43 2 0 52.28 -999 ? O3 GOL A 951 >ASN.H 31 26.41 133.55 8.12 24.60 133.87 9.21 25.51 133.71 8.67 2 0 56.04 -999 ? O3 GOL A 951 >GLY.H 32 28.80 133.32 4.48 28.28 132.71 4.34 28.54 133.02 4.41 1 0 53.94 -999 ? O3 GOL A 951 >GLU.H 33 29.82 133.83 -0.35 28.64 134.78 -1.82 29.23 134.31 -1.09 2 0 56.82 -999 ? O3 GOL A 951 >THR~H 34 33.76 132.33 1.14 34.15 134.48 1.08 33.95 133.40 1.11 2 0 53.06 -999 ? O3 GOL A 951 >ALA~H 35 36.14 130.38 3.35 37.51 129.87 2.93 36.83 130.12 3.14 2 0 47.13 -999 ? O3 GOL A 951 >ALA~H 36 36.83 133.60 5.32 37.45 134.89 4.77 37.14 134.25 5.05 2 0 51.12 -999 ? O3 GOL A 951 >GLU~H 37 32.31 136.08 4.14 31.20 136.22 2.33 31.75 136.15 3.23 2 0 55.60 -999 ? O3 GOL A 951 >GLN~H 38 31.18 129.82 4.78 30.85 128.08 3.59 31.01 128.95 4.18 2 0 48.80 -999 ? O3 GOL A 951 >THR~H 39 35.32 130.46 9.19 37.43 130.02 8.92 36.38 130.24 9.05 2 0 46.08 -999 ? O3 GOL A 951 >ALA~H 40 34.37 133.70 10.94 34.24 135.07 10.26 34.30 134.38 10.60 2 0 51.82 -999 ? O3 GOL A 951 >ASP~H 41 29.86 132.03 10.17 27.97 131.43 10.85 28.91 131.73 10.51 2 0 51.94 -999 ? O3 GOL A 951 >VAL~H 42 31.89 128.98 12.66 32.57 127.08 11.80 32.23 128.03 12.23 3 0 46.62 -999 ? O3 GOL A 951 >LEU~H 43 35.57 131.35 14.80 37.53 130.44 14.39 36.55 130.89 14.60 3 0 46.80 -999 ? O3 GOL A 951 >ALA~H 44 31.56 132.81 16.45 30.82 133.84 15.60 31.19 133.33 16.03 2 0 52.17 -999 ? O3 GOL A 951 >GLN~H 45 28.03 129.23 14.94 27.63 127.75 13.46 27.83 128.49 14.20 2 0 49.03 -999 ? O3 GOL A 951 >ILE~H 46 33.70 127.86 18.40 34.68 127.04 17.93 34.19 127.45 18.16 3 0 45.04 -999 ? O3 GOL A 951 >ASP~H 47 32.65 132.78 20.64 34.61 133.29 19.98 33.63 133.03 20.31 2 0 50.01 -999 ? O3 GOL A 951 >ARG~H 48 26.51 133.28 19.66 26.73 133.08 16.60 26.62 133.18 18.13 2 0 53.81 -999 ? O3 GOL A 951 >TRP~H 49 27.05 126.32 19.83 24.19 125.21 22.28 25.62 125.76 21.06 3 0 49.09 -999 ? O3 GOL A 951 >LEU~H 50 33.29 128.03 24.46 34.88 126.77 23.58 34.09 127.40 24.02 3 0 45.79 -999 ? O3 GOL A 951 >ALA~H 51 30.34 130.45 26.93 29.83 131.77 26.38 30.09 131.11 26.65 2 0 52.12 -999 ? O3 GOL A 951 >GLU~H 52 25.71 128.43 25.51 24.16 129.31 26.62 24.94 128.87 26.06 2 0 53.58 -999 ? O3 GOL A 951 >CYH~H 53 29.61 125.44 28.83 29.26 123.84 26.56 29.43 124.64 27.70 2 0 46.29 -999 ? O3 GOL A 951 >GLY.H 54 31.47 127.83 31.14 31.76 127.53 30.42 31.61 127.68 30.78 1 0 49.34 -999 ? O3 GOL A 951 >SER.H 55 34.48 128.01 28.86 36.05 126.49 27.73 35.26 127.25 28.29 2 0 44.89 -999 ? O3 GOL A 951 >ASP~H 56 36.18 131.63 26.84 37.71 131.53 28.30 36.95 131.58 27.57 2 0 48.57 -999 ? O3 GOL A 951 >LYS~H 57 38.45 130.30 23.36 38.90 135.70 20.07 38.67 133.00 21.71 2 0 50.38 -999 ? O3 GOL A 951 >ALA~H 58 41.34 130.73 25.83 41.64 132.03 26.62 41.49 131.38 26.23 2 0 47.09 -999 ? O3 GOL A 951 >HIS.H 59 39.87 128.19 29.63 40.45 129.56 31.10 40.16 128.88 30.37 3 0 45.89 -999 ? O3 GOL A 951 >VAL^H 60 40.37 125.41 24.03 39.56 125.81 22.05 39.96 125.61 23.04 3 0 41.24 -999 ? O3 GOL A 951 >LEU^H 61 42.28 121.04 24.89 42.32 120.96 27.04 42.30 121.00 25.96 3 0 36.90 -999 ? O3 GOL A 951 >ASP^H 62 42.03 119.40 20.81 42.58 118.26 19.11 42.30 118.83 19.96 2 0 33.01 -999 ? O3 GOL A 951 >ALA^H 63 40.80 121.93 17.27 40.88 123.44 17.01 40.84 122.69 17.14 2 0 38.21 -999 ? O3 GOL A 951 >VAL^H 64 40.31 119.79 14.16 40.34 117.60 14.11 40.32 118.70 14.14 3 0 34.32 -999 ? O3 GOL A 951 >ILE^H 65 40.40 123.17 10.83 40.76 124.39 11.00 40.58 123.78 10.92 3 0 38.88 -999 ? O3 GOL A 951 >TYR^H 66 37.17 118.11 9.12 37.49 116.20 11.12 37.33 117.16 10.12 3 0 35.09 -999 ? O3 GOL A 951 >LEU^H 67 39.53 122.88 4.26 40.32 124.69 5.17 39.93 123.79 4.71 3 0 40.38 -999 ? O3 GOL A 951 >ARG.H 68 33.33 122.14 -0.71 31.75 119.98 -2.25 32.54 121.06 -1.48 2 0 44.08 -999 ? O3 GOL A 951 >ASP~H 69 38.71 123.30 -1.42 39.94 123.29 -3.16 39.32 123.30 -2.29 2 0 42.75 -999 ? O3 GOL A 951 >MET?H 70 42.87 122.67 0.81 44.77 122.32 3.41 43.82 122.50 2.11 2 0 37.54 -999 ? O3 GOL A 951 >GLY~H 71 43.17 125.66 -1.58 42.79 125.58 -0.85 42.98 125.62 -1.21 1 0 42.79 -999 ? O3 GOL A 951 >ASP~H 72 39.85 127.21 1.52 38.50 127.68 -0.04 39.17 127.44 0.74 2 0 45.74 -999 ? O3 GOL A 951 >TYR~H 73 46.23 125.97 4.76 47.72 125.29 7.03 46.97 125.63 5.90 3 0 39.13 -999 ? O3 GOL A 951 >ALA~H 74 45.51 130.68 3.83 46.28 131.37 2.70 45.90 131.02 3.26 2 0 45.47 -999 ? O3 GOL A 951 >GLU~H 75 39.86 133.05 2.74 38.54 132.80 1.10 39.20 132.93 1.92 2 0 49.75 -999 ? O3 GOL A 951 >MET?H 76 40.95 130.11 6.68 41.67 127.79 9.09 41.31 128.95 7.89 2 0 42.28 -999 ? O3 GOL A 951 >ASN~H 77 45.65 130.40 8.04 46.20 128.35 8.23 45.93 129.37 8.13 2 0 41.41 -999 ? O3 GOL A 951 >GLY~H 78 43.81 134.52 8.20 43.42 133.95 8.65 43.62 134.24 8.42 1 0 47.93 -999 ? O3 GOL A 951 >VAL~H 79 40.62 134.33 10.26 38.57 134.38 9.48 39.59 134.36 9.87 3 0 48.98 -999 ? O3 GOL A 951 >TRP~H 80 44.34 129.51 13.77 41.77 127.28 15.77 43.06 128.39 14.77 3 0 41.85 -999 ? O3 GOL A 951 >ASP~H 81 46.18 133.98 12.45 47.13 132.25 11.62 46.66 133.12 12.04 2 0 44.45 -999 ? O3 GOL A 951 >ALA~H 82 43.07 136.78 14.30 42.36 137.68 13.28 42.72 137.23 13.79 2 0 50.88 -999 ? O3 GOL A 951 >TRP~H 83 37.51 133.74 17.21 38.25 130.12 18.56 37.88 131.93 17.89 3 0 47.19 -999 ? O3 GOL A 951 >VAL~H 84 42.96 132.55 18.73 44.34 131.34 17.52 43.65 131.95 18.13 3 0 45.06 -999 ? O3 GOL A 951 >ALA.H 85 44.01 133.73 22.19 43.37 133.25 23.50 43.69 133.49 22.85 2 0 47.01 -999 ? O3 GOL A 951 >ALA.H 86 47.61 134.90 22.26 48.04 136.36 22.15 47.82 135.63 22.20 2 0 47.36 -999 ? O1 GOL B 950 >GLY.H 87 49.91 132.64 24.29 49.17 132.44 24.00 49.54 132.54 24.14 1 0 43.91 -999 ? O1 GOL B 950 >ARG.H 88 45.34 131.83 27.81 45.05 129.77 30.09 45.20 130.80 28.95 2 0 44.93 -999 ? O3 GOL A 951 >THR.H 89 46.64 128.68 21.19 48.22 129.63 20.06 47.43 129.15 20.63 2 0 41.74 -999 ? O3 GOL A 951 >PRO.H 90 43.51 125.95 19.64 45.36 125.85 20.89 44.43 125.90 20.27 3 0 39.32 -999 ? O3 GOL A 951 >ALA^H 91 46.56 121.88 19.57 46.53 120.50 20.19 46.55 121.19 19.88 2 0 33.56 -999 ? O3 GOL A 951 >ARG^H 92 44.96 125.32 13.99 45.47 126.29 11.12 45.21 125.81 12.55 2 0 39.28 -999 ? O3 GOL A 951 >ALA^H 93 45.19 119.80 12.82 45.05 118.32 13.04 45.12 119.06 12.93 2 0 31.86 -999 ? O3 GOL A 951 >CYH^H 94 43.87 120.80 9.41 43.26 122.82 7.53 43.56 121.81 8.47 2 0 37.45 -999 ? O3 GOL A 951 >VAL^H 95 42.89 118.20 6.85 42.73 116.42 8.19 42.81 117.31 7.52 3 0 32.82 -999 ? O3 GOL A 951 >GLU^H 96 40.40 118.61 1.18 41.19 118.32 -0.75 40.80 118.46 0.22 2 0 37.23 -999 ? O3 GOL A 951 >ALA.H 97 37.42 116.53 3.82 37.19 115.82 5.16 37.31 116.18 4.49 2 0 35.24 -999 ? O3 GOL A 951 >ARG.H 98 33.90 116.42 -1.68 33.63 117.70 -4.46 33.76 117.06 -3.07 2 0 42.39 -999 ? O3 GOL A 951 >LEU.H 99 31.34 119.57 5.08 33.22 120.36 5.97 32.28 119.97 5.52 3 0 41.23 -999 ? O3 GOL A 951 >ALA.H 100 27.53 117.31 4.61 26.74 117.18 5.92 27.13 117.24 5.27 2 0 42.96 -999 ? O3 GOL A 951 >ARG.H 101 23.75 122.24 4.06 21.55 123.26 5.97 22.65 122.75 5.02 2 0 50.71 -999 ? O3 GOL A 951 >PRO.H 102 26.39 120.93 -2.03 27.96 120.99 -0.42 27.18 120.96 -1.22 3 0 47.22 -999 ? O3 GOL A 951 >GLU.H 103 26.18 125.63 1.09 24.64 124.22 0.65 25.41 124.92 0.87 2 0 50.51 -999 ? O3 GOL A 951 >TRP.H 104 27.58 124.66 5.01 26.22 121.61 7.10 26.90 123.14 6.06 3 0 46.91 -999 ? O3 GOL A 951 >ARG.H 105 34.21 127.63 0.07 35.09 125.83 -2.28 34.65 126.73 -1.11 2 0 46.62 -999 ? O3 GOL A 951 >VAL^H 106 34.92 124.70 6.61 35.62 126.46 7.82 35.27 125.58 7.22 3 0 43.58 -999 ? O3 GOL A 951 >GLU^H 107 32.62 120.76 10.73 31.34 119.11 10.26 31.98 119.93 10.50 2 0 40.32 -999 ? O3 GOL A 951 >ILE^H 108 36.22 124.42 13.49 37.25 125.47 13.59 36.74 124.94 13.54 3 0 41.54 -999 ? O3 GOL A 951 >LYS^H 109 35.66 120.39 15.90 32.62 116.06 17.27 34.14 118.23 16.58 2 0 36.93 -999 ? O3 GOL A 951 >ILE^H 110 36.01 123.02 19.73 37.06 124.15 19.82 36.53 123.58 19.77 3 0 40.67 -999 ? O3 GOL A 951 >THR^H 111 37.70 119.97 22.68 38.43 117.91 22.89 38.06 118.94 22.78 2 0 35.45 -999 ? O3 GOL A 951 >ALA^H 112 37.86 122.41 25.61 36.96 123.59 25.31 37.41 123.00 25.46 2 0 41.42 -999 ? O3 GOL A 951 >VAL^H 113 37.90 122.72 29.42 40.06 122.58 29.95 38.98 122.65 29.69 3 0 40.94 -999 ? O3 GOL A 951 >LYS.H 114 35.70 124.60 31.89 30.93 121.47 34.68 33.32 123.03 33.29 2 0 46.23 -999 ? O3 GOL A 951 >ARG.H 115 36.76 131.17 32.37 33.90 131.79 31.47 35.33 131.48 31.92 2 0 51.41 -999 ? O3 GOL A 951 >MET?I 1 45.72 107.57 35.70 46.86 110.88 34.32 46.29 109.22 35.01 2 0 30.75 -999 ? O3 GOL A 951 >ASP.I 2 46.45 102.76 35.74 47.29 103.21 37.63 46.87 102.99 36.68 2 0 28.29 -999 ? O3 GOL A 951 >ILE.I 3 46.59 103.20 29.98 47.05 103.98 28.92 46.82 103.59 29.45 3 0 22.92 -999 ? O3 GOL A 951 >ARG^I 4 41.51 97.48 32.10 39.90 95.21 33.42 40.71 96.34 32.76 2 0 26.19 -999 ? O3 GOL A 951 >TYR^I 5 46.16 98.94 26.75 48.02 101.01 26.92 47.09 99.98 26.83 3 0 19.05 -999 ? O3 GOL A 951 >PHE^I 6 39.31 97.22 27.11 38.91 97.96 29.77 39.11 97.59 28.44 3 0 24.39 -999 ? O3 GOL A 951 >GLY^I 7 41.03 94.13 22.27 41.64 94.54 22.62 41.33 94.33 22.44 1 0 18.93 -999 ? O3 GOL A 951 >THR^I 8 44.79 94.65 21.98 46.26 95.34 23.43 45.52 95.00 22.71 2 0 15.44 -999 ? O3 GOL A 951 >THR.I 9 46.57 93.69 18.77 45.35 94.48 17.13 45.96 94.08 17.95 2 0 13.78 -999 ? O3 GOL A 951 >PRO.I 10 50.21 91.98 16.95 49.51 93.96 17.75 49.86 92.97 17.35 3 0 9.14 -999 ? O3 GOL A 951 >ARG.I 11 47.55 97.96 12.08 48.36 96.29 9.63 47.95 97.13 10.85 2 0 13.26 -999 ? O3 GOL A 951 >TYR.I 12 44.13 98.40 16.24 42.38 96.46 15.24 43.26 97.43 15.74 3 0 16.85 -999 ? O3 GOL A 951 >SER^I 13 43.78 98.28 20.76 45.35 98.08 22.59 44.57 98.18 21.68 2 0 16.98 -999 ? O3 GOL A 951 >GLU^I 14 39.46 95.96 19.09 38.92 96.46 17.07 39.19 96.21 18.08 2 0 20.45 -999 ? O3 GOL A 951 >ALA^I 15 39.51 100.37 23.28 38.23 100.00 24.00 38.87 100.18 23.64 2 0 24.06 -999 ? O3 GOL A 951 >VAL^I 16 41.77 102.25 25.65 43.86 102.66 25.09 42.81 102.46 25.37 3 0 22.42 -999 ? O3 GOL A 951 >GLY^I 17 40.65 103.65 29.02 41.46 103.55 28.96 41.05 103.60 28.99 1 0 26.29 -999 ? O3 GOL A 951 >ALA^I 18 42.24 106.17 31.38 43.47 106.77 30.72 42.86 106.47 31.05 2 0 27.38 -999 ? O3 GOL A 951 >ASN.I 19 41.61 109.69 34.15 40.96 111.00 35.72 41.29 110.35 34.93 2 0 34.24 -999 ? O3 GOL A 951 >GLY.I 20 37.34 107.26 33.45 37.83 107.51 32.88 37.58 107.39 33.17 1 0 32.77 -999 ? O3 GOL A 951 >LEU^I 21 38.38 109.36 29.23 37.88 111.44 29.17 38.13 110.40 29.20 3 0 32.08 -999 ? O3 GOL A 951 >ILE^I 22 36.05 104.75 27.08 35.27 103.71 27.49 35.66 104.23 27.28 3 0 29.37 -999 ? O3 GOL A 951 >PHE^I 23 40.29 108.00 23.84 40.55 110.54 24.97 40.42 109.27 24.40 3 0 28.07 -999 ? O3 GOL A 951 >LEU^I 24 36.22 103.08 20.49 34.76 102.06 21.79 35.49 102.57 21.14 3 0 26.75 -999 ? O3 GOL A 951 >SER.I 25 39.53 102.67 17.67 41.43 101.13 17.86 40.48 101.90 17.77 2 0 20.51 -999 ? O3 GOL A 951 >GLY.I 26 37.80 103.47 14.40 37.96 102.74 14.82 37.88 103.10 14.61 1 0 24.70 -999 ? O3 GOL A 951 >MET?I 27 35.11 100.84 14.01 35.45 99.01 16.52 35.28 99.92 15.27 2 0 24.59 -999 ? O3 GOL A 951 >VAL.I 28 34.97 99.62 10.43 37.11 99.55 9.98 36.04 99.59 10.20 3 0 24.82 -999 ? O3 GOL A 951 >PRO.I 29 32.33 98.55 7.02 32.85 97.80 9.06 32.59 98.18 8.04 3 0 27.93 -999 ? O3 GOL A 951 >GLU.I 30 34.37 93.48 11.50 34.56 92.96 13.53 34.46 93.22 12.52 2 0 23.82 -999 ? O3 GOL A 951 >ASN.I 31 28.59 91.96 8.79 29.45 90.15 9.56 29.02 91.06 9.17 2 0 29.18 -999 ? O3 GOL A 951 >GLY.I 32 27.21 94.35 5.28 27.96 94.21 5.01 27.58 94.28 5.14 1 0 32.84 -999 ? O3 GOL A 951 >GLU.I 33 26.94 93.65 0.73 28.94 93.12 1.14 27.94 93.39 0.93 2 0 32.63 -999 ? O3 GOL A 951 >THR~I 34 25.06 99.04 2.01 23.01 98.34 1.84 24.03 98.69 1.93 2 0 38.63 -999 ? O3 GOL A 951 >ALA~I 35 25.54 102.14 4.18 25.29 103.58 3.75 25.42 102.86 3.97 2 0 37.57 -999 ? O3 GOL A 951 >ALA~I 36 22.62 101.21 6.47 21.15 101.09 6.07 21.88 101.15 6.27 2 0 39.82 -999 ? O3 GOL A 951 >GLU~I 37 22.63 96.00 5.26 22.77 94.81 3.52 22.70 95.40 4.39 2 0 37.62 -999 ? O3 GOL A 951 >GLN~I 38 28.68 98.24 5.31 30.37 98.69 4.06 29.52 98.46 4.69 2 0 31.34 -999 ? O3 GOL A 951 >THR~I 39 26.45 101.50 9.95 25.67 103.51 9.72 26.06 102.51 9.84 2 0 35.79 -999 ? O3 GOL A 951 >ALA~I 40 24.44 99.03 12.06 23.20 98.23 11.58 23.82 98.63 11.82 2 0 36.14 -999 ? O3 GOL A 951 >ASP~I 41 28.04 96.04 10.79 29.56 94.67 11.27 28.80 95.35 11.03 2 0 29.26 -999 ? O3 GOL A 951 >VAL~I 42 29.74 99.42 13.12 30.91 101.01 12.17 30.33 100.22 12.64 3 0 29.89 -999 ? O3 GOL A 951 >LEU~I 43 26.01 101.20 15.69 25.75 103.30 15.13 25.88 102.25 15.41 3 0 34.64 -999 ? O3 GOL A 951 >ALA~I 44 26.98 96.93 17.15 26.47 95.75 16.33 26.72 96.34 16.74 2 0 32.21 -999 ? O3 GOL A 951 >GLN~I 45 31.88 95.95 15.27 33.17 96.45 13.65 32.53 96.20 14.46 2 0 25.91 -999 ? O3 GOL A 951 >ILE~I 46 30.13 101.48 18.85 30.18 102.81 18.44 30.16 102.14 18.65 3 0 30.84 -999 ? O3 GOL A 951 >ASP~I 47 26.68 98.03 21.40 25.24 99.51 20.90 25.96 98.77 21.15 2 0 34.76 -999 ? O3 GOL A 951 >ARG~I 48 33.02 93.64 21.59 34.59 91.16 20.63 33.80 92.40 21.11 2 0 24.07 -999 ? O3 GOL A 951 >TRP~I 49 34.86 96.74 19.94 37.07 94.24 22.02 35.97 95.49 20.98 3 0 23.56 -999 ? O3 GOL A 951 >LEU~I 50 30.42 101.01 24.77 30.61 103.08 24.07 30.52 102.05 24.42 3 0 31.61 -999 ? O3 GOL A 951 >ALA~I 51 30.04 97.34 27.35 29.10 96.23 26.87 29.57 96.78 27.11 2 0 31.86 -999 ? O3 GOL A 951 >GLU~I 52 35.09 93.78 27.40 36.28 92.87 25.90 35.68 93.33 26.65 2 0 24.39 -999 ? O3 GOL A 951 >CYH~I 53 34.86 99.01 29.07 36.34 99.63 26.79 35.60 99.32 27.93 2 0 26.56 -999 ? O3 GOL A 951 >GLY.I 54 32.00 99.65 31.51 32.03 100.01 30.77 32.02 99.83 31.14 1 0 32.28 -999 ? O3 GOL A 951 >SER.I 55 30.07 102.05 29.30 30.37 104.19 28.11 30.22 103.12 28.71 2 0 33.86 -999 ? O3 GOL A 951 >ASP~I 56 25.90 101.72 27.45 25.14 103.10 28.89 25.52 102.41 28.17 2 0 38.11 -999 ? O3 GOL A 951 >LYS~I 57 25.76 104.40 24.03 20.68 101.66 21.47 23.22 103.03 22.75 2 0 39.78 -999 ? O3 GOL A 951 >ALA~I 58 24.03 106.63 26.59 22.87 106.19 27.49 23.45 106.41 27.04 2 0 40.81 -999 ? O3 GOL A 951 >HIS.I 59 27.11 106.63 30.20 25.66 106.41 31.70 26.38 106.52 30.95 3 0 39.21 -999 ? O3 GOL A 951 >VAL^I 60 29.15 108.53 24.58 29.21 107.62 22.57 29.18 108.07 23.57 3 0 35.35 -999 ? O3 GOL A 951 >LEU^I 61 32.03 112.32 25.37 32.42 112.43 27.50 32.23 112.38 26.43 3 0 36.30 -999 ? O3 GOL A 951 >ASP^I 62 33.19 113.03 21.26 33.85 114.00 19.51 33.52 113.51 20.38 2 0 34.78 -999 ? O3 GOL A 951 >ALA^I 63 31.54 110.62 17.70 30.20 109.93 17.57 30.87 110.27 17.64 2 0 34.68 -999 ? O3 GOL A 951 >VAL^I 64 33.30 111.24 14.43 35.13 112.34 14.10 34.21 111.79 14.26 3 0 32.76 -999 ? O3 GOL A 951 >ILE^I 65 30.21 109.63 11.26 29.00 109.22 11.45 29.60 109.42 11.36 3 0 35.05 -999 ? O3 GOL A 951 >TYR^I 66 36.11 109.41 9.37 37.69 110.50 11.40 36.90 109.96 10.38 3 0 29.96 -999 ? O3 GOL A 951 >LEU^I 67 30.48 108.98 4.85 28.54 108.71 5.81 29.51 108.85 5.33 3 0 36.00 -999 ? O3 GOL A 951 >ARG.I 68 34.26 104.14 -0.51 36.89 103.92 -2.14 35.58 104.03 -1.33 2 0 31.13 -999 ? O3 GOL A 951 >ASP~I 69 30.28 108.03 -1.07 29.34 109.04 -2.68 29.81 108.54 -1.87 2 0 39.24 -999 ? O3 GOL A 951 >MET?I 70 28.73 111.86 1.31 28.42 113.79 3.95 28.57 112.82 2.63 2 0 40.09 -999 ? O3 GOL A 951 >GLY~I 71 25.86 110.54 -0.83 26.17 110.30 -0.12 26.01 110.42 -0.48 1 0 41.82 -999 ? O3 GOL A 951 >ASP~I 72 26.39 106.89 2.29 26.69 105.60 0.64 26.54 106.25 1.47 2 0 38.28 -999 ? O3 GOL A 951 >TYR~I 73 24.71 113.16 5.52 24.61 114.81 7.76 24.66 113.99 6.64 3 0 42.41 -999 ? O3 GOL A 951 >ALA~I 74 20.89 110.27 4.86 19.88 110.62 3.75 20.39 110.45 4.31 2 0 45.22 -999 ? O3 GOL A 951 >GLU~I 75 21.42 104.12 3.87 22.16 103.02 2.21 21.79 103.57 3.04 2 0 40.61 -999 ? O3 GOL A 951 >MET?I 76 23.77 106.43 7.58 25.65 108.29 9.88 24.71 107.36 8.73 2 0 37.93 -999 ? O3 GOL A 951 >ASN~I 77 21.30 110.40 9.13 22.89 111.82 9.18 22.10 111.11 9.15 2 0 42.18 -999 ? O3 GOL A 951 >GLY~I 78 18.56 106.76 9.56 19.30 106.67 9.90 18.93 106.72 9.73 1 0 43.54 -999 ? O3 GOL A 951 >VAL~I 79 20.52 104.01 11.33 21.53 102.23 10.55 21.02 103.12 10.94 3 0 39.74 -999 ? O3 GOL A 951 >TRP~I 80 23.07 109.64 14.74 26.48 108.53 16.39 24.77 109.08 15.56 3 0 38.68 -999 ? O3 GOL A 951 >ASP~I 81 18.22 109.05 13.81 19.16 110.69 12.83 18.69 109.87 13.32 2 0 44.43 -999 ? O3 GOL A 951 >ALA~I 82 17.54 104.99 15.76 17.11 103.89 14.79 17.32 104.44 15.27 2 0 43.44 -999 ? O3 GOL A 951 >TRP~I 83 23.19 101.63 18.37 25.89 104.31 19.37 24.54 102.97 18.87 3 0 36.32 -999 ? O3 GOL A 951 >VAL~I 84 21.51 106.89 19.92 21.83 108.69 18.65 21.67 107.79 19.28 3 0 40.96 -999 ? O3 GOL A 951 >ALA.I 85 19.90 107.25 23.35 20.59 106.93 24.67 20.25 107.09 24.01 2 0 42.38 -999 ? O3 GOL A 951 >ALA.I 86 17.27 110.01 23.20 15.77 109.77 23.01 16.52 109.89 23.11 2 0 47.55 -999 ? O3 GOL A 951 >GLY.I 87 18.10 112.99 25.42 18.67 112.53 25.08 18.38 112.76 25.25 1 0 47.47 -999 ? O3 GOL A 951 >ARG.I 88 21.38 109.81 28.95 23.49 110.40 31.12 22.44 110.10 30.04 2 0 43.39 -999 ? O3 GOL A 951 >THR.I 89 23.04 112.19 22.07 21.39 113.00 20.90 22.22 112.60 21.49 2 0 43.96 -999 ? O3 GOL A 951 >PRO.I 90 26.93 110.93 20.38 26.14 112.52 21.72 26.54 111.73 21.05 3 0 39.05 -999 ? O3 GOL A 951 >ALA^I 91 28.85 115.55 20.11 30.11 116.24 20.63 29.48 115.90 20.37 2 0 39.13 -999 ? O3 GOL A 951 >ARG^I 92 26.42 112.30 14.65 25.02 112.26 11.89 25.72 112.28 13.27 2 0 40.35 -999 ? O3 GOL A 951 >ALA^I 93 30.87 115.50 13.27 32.26 116.14 13.33 31.56 115.82 13.30 2 0 37.25 -999 ? O3 GOL A 951 >CYH^I 94 30.53 113.81 9.92 28.97 112.24 8.20 29.75 113.02 9.06 2 0 37.71 -999 ? O3 GOL A 951 >VAL^I 95 33.03 114.32 7.10 34.73 115.13 8.32 33.88 114.72 7.71 3 0 35.88 -999 ? O3 GOL A 951 >GLU^I 96 33.43 111.97 1.43 33.24 112.71 -0.52 33.34 112.34 0.46 2 0 37.63 -999 ? O3 GOL A 951 >ALA.I 97 37.03 110.41 3.91 37.81 110.53 5.24 37.42 110.47 4.57 2 0 31.02 -999 ? O3 GOL A 951 >ARG.I 98 38.40 107.39 -1.85 39.30 109.79 -3.53 38.85 108.59 -2.69 2 0 33.61 -999 ? O3 GOL A 951 >LEU.I 99 37.64 103.73 5.13 36.18 105.03 6.18 36.91 104.38 5.65 3 0 27.72 -999 ? O3 GOL A 951 >ALA.I 100 41.31 101.36 4.31 41.96 100.73 5.57 41.64 101.04 4.94 2 0 22.04 -999 ? O3 GOL A 951 >ARG.I 101 38.79 95.54 3.40 38.30 93.28 5.42 38.54 94.41 4.41 2 0 22.47 -999 ? O3 GOL A 951 >PRO.I 102 38.98 99.31 -2.26 37.70 100.06 -0.57 38.34 99.69 -1.42 3 0 27.91 -999 ? O3 GOL A 951 >GLU.I 103 34.82 96.21 -0.72 36.78 96.01 0.04 35.80 96.11 -0.34 2 0 27.08 -999 ? O3 GOL A 951 >TRP.I 104 35.16 97.81 4.83 38.54 97.97 6.84 36.85 97.89 5.83 3 0 24.78 -999 ? O3 GOL A 951 >ARG.I 105 29.29 102.92 0.79 30.00 103.93 -2.02 29.65 103.42 -0.62 2 0 36.10 -999 ? O3 GOL A 951 >VAL^I 106 31.51 104.21 7.05 29.78 103.85 8.41 30.65 104.03 7.73 3 0 32.02 -999 ? O3 GOL A 951 >GLU^I 107 36.29 104.30 10.87 38.32 104.11 10.31 37.30 104.20 10.59 2 0 25.17 -999 ? O3 GOL A 951 >ILE^I 108 31.51 105.42 13.91 30.07 105.80 14.04 30.79 105.61 13.97 3 0 31.76 -999 ? O3 GOL A 951 >LYS^I 109 35.35 106.97 16.10 39.41 109.75 18.30 37.38 108.36 17.20 2 0 27.79 -999 ? O3 GOL A 951 >ILE^I 110 33.09 105.90 20.11 31.70 106.36 20.27 32.39 106.13 20.19 3 0 31.02 -999 ? O3 GOL A 951 >THR^I 111 35.03 108.80 22.86 36.53 110.36 23.17 35.78 109.58 23.02 2 0 31.05 -999 ? O3 GOL A 951 >ALA^I 112 33.00 107.88 25.94 32.25 106.57 25.68 32.63 107.22 25.81 2 0 32.66 -999 ? O3 GOL A 951 >VAL^I 113 33.04 107.78 29.77 32.05 109.64 30.46 32.54 108.71 30.11 3 0 35.22 -999 ? O3 GOL A 951 >LYS.I 114 32.93 104.81 32.13 37.16 101.61 35.13 35.05 103.21 33.63 2 0 31.21 -999 ? O3 GOL A 951 >ARG.I 115 26.77 102.58 32.88 27.88 99.71 32.74 27.33 101.14 32.81 2 0 36.27 -999 ? O3 GOL A 951 >ASP.I 116 30.15 106.99 38.50 31.71 108.33 37.97 30.93 107.66 38.24 2 0 39.51 -999 ? O3 GOL A 951 >ALA.I 117 29.56 103.14 40.78 28.45 103.82 41.60 29.01 103.48 41.19 2 0 42.05 -999 ? O3 GOL A 951 >HIS.J -1 90.02 134.74 45.55 90.52 135.54 47.43 90.27 135.14 46.49 3 0 44.09 -999 ? O2 GOL B 950 >HIS.J 0 83.98 136.13 43.09 84.01 138.22 43.29 84.00 137.17 43.19 3 0 43.01 -999 ? O2 GOL B 950 >MET?J 1 86.04 135.12 38.78 83.03 136.38 38.06 84.54 135.75 38.42 2 0 39.22 -999 ? O2 GOL B 950 >ASP.J 2 89.56 131.76 39.49 90.96 132.62 40.84 90.26 132.19 40.17 2 0 38.46 -999 ? O2 GOL B 950 >ILE^J 3 89.96 132.24 33.71 89.85 133.12 32.66 89.90 132.68 33.19 3 0 33.66 -999 ? O2 GOL B 950 >ARG^J 4 90.55 124.71 36.03 89.49 121.85 36.48 90.02 123.28 36.25 2 0 27.83 -999 ? O2 GOL B 950 >TYR^J 5 92.62 129.07 30.32 92.53 131.84 30.70 92.58 130.45 30.51 3 0 30.91 -999 ? O2 GOL B 950 >PHE^J 6 89.04 122.98 30.48 88.02 123.23 33.09 88.53 123.11 31.78 3 0 25.12 -999 ? O2 GOL B 950 >GLY^J 7 92.75 122.19 25.75 92.88 122.93 26.14 92.82 122.56 25.95 1 0 21.83 -999 ? O2 GOL B 950 >THR^J 8 94.98 125.27 25.58 95.41 126.80 27.05 95.19 126.04 26.31 2 0 27.10 -999 ? O2 GOL B 950 >THR.J 9 97.03 126.05 22.46 95.76 125.36 20.82 96.39 125.70 21.64 2 0 23.83 -999 ? O2 GOL B 950 >PRO.J 10 100.70 127.77 20.81 98.72 128.54 21.56 99.71 128.15 21.19 3 0 28.18 -999 ? O2 GOL B 950 >ARG.J 11 94.64 129.86 15.82 96.61 129.34 13.52 95.63 129.60 14.67 2 0 27.08 -999 ? O2 GOL B 950 >TYR.J 12 91.96 127.55 19.82 92.53 125.08 18.60 92.25 126.31 19.21 3 0 23.03 -999 ? O2 GOL B 950 >SER^J 13 91.54 127.02 24.34 92.68 127.99 26.25 92.11 127.50 25.29 2 0 26.87 -999 ? O2 GOL B 950 >GLU^J 14 90.18 122.41 22.38 89.46 122.48 20.39 89.82 122.44 21.38 2 0 18.98 -999 ? O2 GOL B 950 >ALA^J 15 87.07 125.33 26.61 86.47 124.12 27.27 86.77 124.72 26.94 2 0 22.97 -999 ? O2 GOL B 950 >VAL^J 16 87.28 128.09 29.17 88.46 129.85 28.60 87.87 128.97 28.89 3 0 28.05 -999 ? O2 GOL B 950 >GLY^J 17 85.50 128.23 32.55 86.13 128.73 32.52 85.81 128.48 32.53 1 0 29.33 -999 ? O2 GOL B 950 >ALA^J 18 84.78 131.10 34.97 85.28 132.41 34.40 85.03 131.76 34.68 2 0 33.80 -999 ? O2 GOL B 950 >ASN.J 19 81.84 133.03 37.77 80.48 133.46 39.36 81.16 133.25 38.56 2 0 37.98 -999 ? O2 GOL B 950 >GLY.J 20 80.53 128.38 36.73 80.77 128.90 36.19 80.65 128.64 36.46 1 0 32.47 -999 ? O2 GOL B 950 >LEU^J 21 79.88 130.94 32.63 78.09 132.04 32.37 78.99 131.49 32.50 3 0 32.57 -999 ? O2 GOL B 950 >ILE^J 22 81.46 126.07 30.33 81.66 124.75 30.69 81.56 125.41 30.51 3 0 26.11 -999 ? O2 GOL B 950 >PHE^J 23 82.29 131.27 27.33 80.60 133.14 28.55 81.44 132.20 27.94 3 0 30.58 -999 ? O2 GOL B 950 >LEU^J 24 82.64 125.13 23.81 82.34 123.39 25.15 82.49 124.26 24.48 3 0 21.86 -999 ? O2 GOL B 950 >SER.J 25 85.55 127.10 21.05 87.99 127.47 21.01 86.77 127.28 21.03 2 0 23.64 -999 ? O2 GOL B 950 >GLY.J 26 83.73 126.57 17.78 84.39 126.16 18.20 84.06 126.36 17.99 1 0 22.01 -999 ? O2 GOL B 950 >MET?J 27 83.75 122.80 17.27 85.30 121.64 19.78 84.53 122.22 18.52 2 0 17.53 -999 ? O2 GOL B 950 >VAL.J 28 84.52 121.79 13.70 86.14 123.25 13.32 85.33 122.52 13.51 3 0 17.77 -999 ? O2 GOL B 950 >PRO.J 29 82.78 119.39 10.49 84.22 119.08 12.20 83.50 119.23 11.34 3 0 14.96 -999 ? O2 GOL B 950 >GLU.J 30 88.11 116.82 14.85 88.95 116.35 16.75 88.53 116.59 15.80 2 0 12.27 -999 ? O2 GOL B 950 >ASN.J 31 85.08 112.02 11.80 86.85 111.39 12.84 85.97 111.70 12.32 2 0 7.09 -999 ? O2 GOL B 950 >GLY.J 32 82.46 112.66 8.33 83.10 113.08 8.11 82.78 112.87 8.22 1 0 10.27 -999 ? C1 GOL B 950 >GLU.J 33 83.19 112.54 3.74 83.40 110.89 5.07 83.29 111.72 4.40 2 0 11.32 -999 ? C1 GOL B 950 >THR~J 34 77.71 114.56 5.03 76.76 112.61 5.12 77.24 113.58 5.07 2 0 13.84 -999 ? C1 GOL B 950 >ALA~J 35 75.97 117.16 7.23 74.77 118.02 6.83 75.37 117.59 7.03 2 0 17.66 -999 ? C1 GOL B 950 >ALA~J 36 74.57 114.39 9.46 73.57 113.30 9.02 74.07 113.84 9.24 2 0 13.90 -999 ? O1 GOL B 950 >GLU~J 37 78.38 110.74 8.24 79.50 109.99 6.60 78.94 110.37 7.42 2 0 10.17 -999 ? C1 GOL B 950 >GLN~J 38 80.96 116.63 8.30 81.86 118.16 7.10 81.41 117.40 7.70 2 0 15.66 -999 ? C1 GOL B 950 >THR~J 39 77.12 117.21 12.92 75.18 118.12 12.66 76.15 117.66 12.79 2 0 15.81 -999 ? O1 GOL B 950 >ALA~J 40 77.37 113.98 14.96 77.09 112.56 14.43 77.23 113.27 14.70 2 0 9.83 -999 ? O1 GOL B 950 >ASP~J 41 82.15 114.38 13.96 84.17 114.55 14.60 83.16 114.47 14.28 2 0 9.81 -999 ? O2 GOL B 950 >VAL~J 42 80.89 118.06 16.29 80.67 119.99 15.25 80.78 119.03 15.77 3 0 14.93 -999 ? O2 GOL B 950 >LEU~J 43 76.96 116.54 18.73 75.24 117.80 18.11 76.10 117.17 18.42 3 0 14.74 -999 ? O1 GOL B 950 >ALA~J 44 80.71 114.19 20.04 81.28 113.10 19.12 80.99 113.65 19.58 2 0 9.92 -999 ? O1 GOL B 950 >GLN~J 45 84.95 117.02 18.50 85.72 118.37 17.05 85.33 117.70 17.77 2 0 13.75 -999 ? O2 GOL B 950 >ILE~J 46 79.73 119.72 21.96 78.93 120.79 21.57 79.33 120.26 21.76 3 0 17.71 -999 ? O1 GOL B 950 >ASP~J 47 79.73 114.75 24.33 77.65 114.74 23.90 78.69 114.74 24.11 2 0 14.47 -999 ? O1 GOL B 950 >ARG~J 48 86.03 113.37 22.88 84.95 112.79 20.06 85.49 113.08 21.47 2 0 9.52 -999 ? O2 GOL B 950 >TRP~J 49 86.34 119.70 23.14 89.64 119.60 25.30 87.99 119.65 24.22 3 0 17.74 -999 ? O2 GOL B 950 >LEU~J 50 80.18 119.49 27.98 78.88 121.05 27.20 79.53 120.27 27.59 3 0 20.60 -999 ? O1 GOL B 950 >ALA~J 51 82.59 116.64 30.49 82.62 115.18 30.01 82.61 115.91 30.25 2 0 18.51 -999 ? O2 GOL B 950 >GLU~J 52 87.78 117.04 29.38 89.68 117.42 28.57 88.73 117.23 28.98 2 0 19.12 -999 ? O2 GOL B 950 >CYH~J 53 84.54 121.11 32.35 85.14 122.68 30.14 84.84 121.90 31.25 2 0 23.49 -999 ? O2 GOL B 950 >GLY.J 54 82.20 119.27 34.74 82.00 119.63 34.02 82.10 119.45 34.38 1 0 24.74 -999 ? O2 GOL B 950 >SER.J 55 79.20 119.86 32.48 77.95 121.58 31.24 78.57 120.72 31.86 2 0 24.14 -999 ? O1 GOL B 950 >ASP~J 56 76.56 116.75 30.56 75.12 117.15 32.06 75.84 116.95 31.31 2 0 22.47 -999 ? O1 GOL B 950 >LYS~J 57 74.48 118.45 27.11 72.77 112.99 24.52 73.62 115.72 25.81 2 0 15.88 -999 ? O1 GOL B 950 >ALA~J 58 71.67 118.84 29.66 71.15 117.69 30.52 71.41 118.27 30.09 2 0 23.23 -999 ? O1 GOL B 950 >HIS.J 59 73.83 120.92 33.33 72.98 119.74 34.84 73.41 120.33 34.08 3 0 26.40 -999 ? O1 GOL B 950 >VAL^J 60 74.01 123.86 27.81 74.68 123.20 25.82 74.34 123.53 26.81 3 0 23.95 -999 ? O1 GOL B 950 >LEU^J 61 73.33 128.57 28.65 73.45 128.80 30.84 73.39 128.68 29.74 3 0 29.89 -999 ? O1 GOL B 950 >ASP^J 62 73.91 129.81 24.56 73.43 131.10 23.01 73.67 130.45 23.78 2 0 29.43 -999 ? O1 GOL B 950 >ALA^J 63 74.29 127.01 20.99 73.77 125.59 20.79 74.03 126.30 20.89 2 0 23.73 -999 ? O1 GOL B 950 >VAL^J 64 75.20 128.92 17.82 75.65 131.04 17.54 75.42 129.98 17.68 3 0 26.86 -999 ? O1 GOL B 950 >ILE^J 65 74.05 125.79 14.57 73.35 124.60 14.70 73.70 125.19 14.63 3 0 22.71 -999 ? O1 GOL B 950 >TYR^J 66 78.52 129.63 12.65 78.69 131.71 14.52 78.61 130.67 13.58 3 0 26.74 -999 ? O2 GOL B 950 >LEU^J 67 74.89 125.53 8.05 73.68 124.07 9.16 74.29 124.80 8.60 3 0 23.01 -999 ? C1 GOL B 950 >ARG.J 68 80.71 124.38 2.71 80.17 121.57 1.53 80.44 122.97 2.12 2 0 21.65 -999 ? C1 GOL B 950 >ASP~J 69 75.22 124.58 2.23 73.76 124.60 0.67 74.49 124.59 1.45 2 0 26.14 -999 ? C1 GOL B 950 >MET?J 70 71.56 126.44 4.62 69.86 127.35 7.11 70.71 126.89 5.87 2 0 27.45 -999 ? O1 GOL B 950 >GLY~J 71 70.23 123.48 2.56 70.70 123.45 3.21 70.46 123.46 2.89 1 0 25.86 -999 ? C1 GOL B 950 >ASP~J 72 73.31 121.07 5.45 74.42 120.24 3.86 73.86 120.66 4.65 2 0 20.90 -999 ? C1 GOL B 950 >TYR~J 73 67.76 124.34 8.75 66.57 125.52 10.98 67.16 124.93 9.86 3 0 26.12 -999 ? O1 GOL B 950 >ALA~J 74 67.04 119.54 8.01 66.07 119.09 6.89 66.56 119.32 7.45 2 0 23.38 -999 ? O1 GOL B 950 >GLU~J 75 71.59 115.49 6.77 72.83 115.27 5.06 72.21 115.38 5.92 2 0 17.57 -999 ? C1 GOL B 950 >MET?J 76 71.74 118.87 10.69 71.85 121.43 13.09 71.79 120.15 11.89 2 0 20.21 -999 ? O1 GOL B 950 >ASN~J 77 67.21 119.93 12.30 67.29 122.06 12.40 67.25 121.00 12.35 2 0 23.39 -999 ? O1 GOL B 950 >GLY~J 78 67.91 115.42 12.62 68.53 115.85 12.97 68.22 115.63 12.80 1 0 18.25 -999 ? O1 GOL B 950 >VAL~J 79 71.18 114.77 14.44 73.10 114.09 13.66 72.14 114.43 14.05 3 0 14.33 -999 ? O1 GOL B 950 >TRP~J 80 68.97 120.47 17.87 72.03 122.20 19.63 70.50 121.33 18.75 3 0 21.05 -999 ? O1 GOL B 950 >ASP~J 81 65.92 116.64 16.80 65.31 118.46 15.87 65.62 117.55 16.34 2 0 22.02 -999 ? O1 GOL B 950 >ALA~J 82 68.24 113.24 18.63 68.65 112.20 17.61 68.45 112.72 18.12 2 0 15.79 -999 ? O1 GOL B 950 >TRP~J 83 74.55 114.75 21.33 74.67 118.55 22.41 74.61 116.65 21.87 3 0 16.06 -999 ? O1 GOL B 950 >VAL~J 84 69.60 117.27 22.90 68.64 118.83 21.69 69.12 118.05 22.30 3 0 20.30 -999 ? O1 GOL B 950 >ALA.J 85 68.12 116.34 26.29 68.90 116.56 27.61 68.51 116.45 26.95 2 0 21.96 -999 ? O1 GOL B 950 >ALA.J 86 64.32 116.37 26.66 63.45 115.11 26.68 63.89 115.74 26.67 2 0 24.46 -999 ? O1 GOL B 950 >GLY.J 87 63.01 119.33 28.70 63.72 119.33 28.32 63.36 119.33 28.51 1 0 27.86 -999 ? O1 GOL B 950 >ARG.J 88 67.71 118.97 31.97 68.51 120.96 34.16 68.11 119.96 33.06 2 0 28.78 -999 ? O1 GOL B 950 >THR.J 89 67.13 122.07 25.20 65.33 121.60 24.11 66.23 121.83 24.66 2 0 25.78 -999 ? O1 GOL B 950 >PRO.J 90 70.89 123.89 23.61 69.10 124.49 24.86 69.99 124.19 24.24 3 0 25.13 -999 ? O1 GOL B 950 >ALA^J 91 68.79 128.58 23.34 69.11 129.98 23.88 68.95 129.28 23.61 2 0 30.23 -999 ? O1 GOL B 950 >ARG^J 92 69.35 124.75 17.81 68.50 123.69 15.04 68.93 124.22 16.43 2 0 23.81 -999 ? O1 GOL B 950 >ALA^J 93 70.49 130.14 16.54 71.03 131.55 16.71 70.76 130.85 16.63 2 0 29.64 -999 ? O1 GOL B 950 >CYH^J 94 71.54 128.87 13.11 71.45 126.71 11.30 71.49 127.79 12.21 2 0 25.27 -999 ? O1 GOL B 950 >VAL^J 95 72.94 130.91 10.24 73.59 132.72 11.40 73.26 131.82 10.82 3 0 29.42 -999 ? O1 GOL B 950 >GLU^J 96 75.10 129.91 4.50 74.22 130.02 2.58 74.66 129.96 3.54 2 0 29.60 -999 ? C1 GOL B 950 >ALA.J 97 78.52 131.10 7.05 78.94 131.71 8.40 78.73 131.40 7.73 2 0 28.35 -999 ? C1 GOL B 950 >ARG.J 98 83.99 129.94 2.15 86.53 131.39 1.21 85.26 130.66 1.68 2 0 29.93 -999 ? O2 GOL B 950 >LEU.J 99 83.53 126.73 8.28 81.56 126.43 9.20 82.54 126.58 8.74 3 0 22.79 -999 ? O2 GOL B 950 >ALA.J 100 87.77 128.00 7.83 88.60 127.93 9.11 88.19 127.96 8.47 2 0 24.07 -999 ? O2 GOL B 950 >ARG.J 101 90.99 123.57 6.20 92.73 121.57 4.64 91.86 122.57 5.42 2 0 21.03 -999 ? O2 GOL B 950 >PRO.J 102 87.86 124.81 1.29 86.40 124.36 2.95 87.13 124.58 2.12 3 0 23.62 -999 ? O2 GOL B 950 >GLU.J 103 87.55 119.74 3.04 88.93 120.86 4.22 88.24 120.30 3.63 2 0 19.63 -999 ? O2 GOL B 950 >TRP.J 104 85.99 120.92 8.20 87.99 123.63 10.23 86.99 122.28 9.22 3 0 18.46 -999 ? O2 GOL B 950 >ARG.J 105 78.18 118.82 4.53 77.05 117.18 2.19 77.62 118.00 3.36 2 0 18.63 -999 ? C1 GOL B 950 >VAL^J 106 78.88 122.68 10.21 77.89 121.18 11.53 78.38 121.93 10.87 3 0 18.57 -999 ? C1 GOL B 950 >GLU^J 107 82.24 126.06 14.06 83.83 127.33 13.47 83.03 126.69 13.77 2 0 22.61 -999 ? O2 GOL B 950 >ILE^J 108 77.87 123.48 17.12 76.62 122.78 17.28 77.24 123.13 17.20 3 0 19.77 -999 ? O1 GOL B 950 >LYS^J 109 79.68 127.23 19.35 83.48 131.62 20.48 81.58 129.43 19.92 2 0 27.45 -999 ? O2 GOL B 950 >ILE^J 110 78.84 124.89 23.32 77.54 124.19 23.44 78.19 124.54 23.38 3 0 22.41 -999 ? O1 GOL B 950 >THR^J 111 77.95 128.21 26.18 77.89 130.37 26.50 77.92 129.29 26.34 2 0 28.96 -999 ? O1 GOL B 950 >ALA^J 112 77.11 125.97 29.16 77.56 124.53 28.87 77.33 125.25 29.01 2 0 25.05 -999 ? O1 GOL B 950 >VAL^J 113 77.11 125.83 32.95 75.44 125.95 34.37 76.28 125.89 33.66 3 0 29.20 -999 ? O1 GOL B 950 >LYS.J 114 79.22 123.79 35.40 83.11 123.11 39.64 81.16 123.45 37.52 2 0 30.85 -999 ? O2 GOL B 950 >ARG.J 115 76.43 117.98 35.58 78.93 116.32 34.92 77.68 117.15 35.25 2 0 23.48 -999 ? O1 GOL B 950 >ASP.J 116 75.75 122.97 41.72 75.79 125.02 41.15 75.77 124.00 41.44 2 0 33.98 -999 ? O1 GOL B 950 >ALA.J 117 78.39 120.03 43.92 78.83 120.58 45.27 78.61 120.30 44.59 2 0 34.51 -999 ? O1 GOL B 950 >MET?K 1 4.48 82.68 15.99 1.81 84.50 16.08 3.14 83.59 16.04 2 0 56.42 -999 ? O3 GOL A 951 >ASP.K 2 9.18 81.85 15.15 10.33 80.09 14.90 9.76 80.97 15.02 2 0 48.58 -999 ? O3 GOL A 951 >ILE^K 3 9.12 81.37 20.95 8.29 81.01 22.03 8.71 81.19 21.49 3 0 50.35 -999 ? O3 GOL A 951 >ARG^K 4 15.40 86.16 18.72 17.73 88.04 17.99 16.56 87.10 18.36 2 0 40.40 -999 ? O3 GOL A 951 >TYR^K 5 13.35 80.90 24.34 10.99 79.44 24.00 12.17 80.17 24.17 3 0 47.56 -999 ? O3 GOL A 951 >PHE^K 6 16.02 87.45 24.36 15.03 88.26 21.87 15.53 87.86 23.11 3 0 43.21 -999 ? O3 GOL A 951 >GLY^K 7 19.08 84.87 28.92 18.47 84.41 28.56 18.77 84.64 28.74 1 0 41.46 -999 ? O3 GOL A 951 >THR^K 8 17.60 81.40 29.29 16.53 80.22 27.84 17.07 80.81 28.56 2 0 44.25 -999 ? O3 GOL A 951 >THR.K 9 18.30 79.54 32.53 17.89 80.99 34.11 18.09 80.26 33.32 2 0 45.04 -999 ? O3 GOL A 951 >PRO.K 10 19.21 75.78 34.60 17.43 76.70 33.58 18.32 76.24 34.09 3 0 45.78 -999 ? O3 GOL A 951 >ARG.K 11 13.47 78.98 39.15 15.30 77.84 41.34 14.39 78.41 40.25 2 0 51.26 -999 ? O3 GOL A 951 >TYR.K 12 13.99 82.63 35.15 16.13 83.81 36.51 15.06 83.22 35.83 3 0 47.94 -999 ? O3 GOL A 951 >SER^K 13 14.29 83.18 30.47 14.11 81.66 28.58 14.20 82.42 29.52 2 0 46.48 -999 ? O3 GOL A 951 >GLU^K 14 17.34 87.15 32.20 16.74 87.60 34.19 17.04 87.37 33.19 2 0 45.37 -999 ? O3 GOL A 951 >ALA^K 15 13.05 87.64 27.98 13.62 88.88 27.30 13.34 88.26 27.64 2 0 45.96 -999 ? O3 GOL A 951 >VAL^K 16 10.82 85.84 25.50 9.97 83.91 26.12 10.39 84.88 25.81 3 0 48.95 -999 ? O3 GOL A 951 >GLY^K 17 9.73 87.23 22.11 9.71 86.44 22.08 9.72 86.83 22.09 1 0 48.79 -999 ? O3 GOL A 951 >ALA^K 18 7.11 86.22 19.55 6.30 85.03 20.08 6.71 85.63 19.81 2 0 52.11 -999 ? O3 GOL A 951 >ASN.K 19 3.96 87.56 16.49 2.90 88.43 14.85 3.43 87.99 15.67 2 0 55.13 -999 ? O3 GOL A 951 >GLY.K 20 6.64 91.55 17.80 6.53 90.99 18.35 6.59 91.27 18.07 1 0 51.48 -999 ? O3 GOL A 951 >LEU^K 21 4.52 90.31 21.94 2.48 91.05 21.82 3.50 90.68 21.88 3 0 54.92 -999 ? O3 GOL A 951 >ILE^K 22 9.37 92.01 24.25 10.59 92.56 23.86 9.98 92.29 24.05 3 0 48.89 -999 ? O3 GOL A 951 >PHE^K 23 5.47 88.27 27.16 3.05 88.50 25.77 4.26 88.38 26.47 3 0 54.89 -999 ? O3 GOL A 951 >LEU^K 24 10.94 91.40 30.74 12.17 92.57 29.38 11.56 91.99 30.06 3 0 48.78 -999 ? O3 GOL A 951 >SER.K 25 10.70 88.09 33.69 11.80 85.93 33.49 11.25 87.01 33.59 2 0 49.73 -999 ? O3 GOL A 951 >GLY.K 26 9.95 89.75 37.00 10.67 89.48 36.59 10.31 89.61 36.79 1 0 52.69 -999 ? O3 GOL A 951 >MET?K 27 13.12 91.78 37.38 14.96 91.38 34.30 14.04 91.58 35.84 2 0 47.05 -999 ? O3 GOL A 951 >VAL.K 28 14.31 91.65 41.00 14.12 89.48 41.36 14.22 90.57 41.18 3 0 50.82 -999 ? O3 GOL A 951 >PRO.K 29 15.18 94.47 44.10 16.40 93.45 42.51 15.79 93.96 43.31 3 0 50.81 -999 ? O3 GOL A 951 >GLU.K 30 20.95 92.74 39.86 21.30 91.50 38.16 21.12 92.12 39.01 2 0 43.24 -999 ? O3 GOL A 951 >ASN.K 31 22.64 96.85 42.87 24.17 95.78 41.86 23.40 96.32 42.37 2 0 43.42 -999 ? O3 GOL A 951 >GLY.K 32 20.67 98.50 46.48 20.69 97.73 46.70 20.68 98.12 46.59 1 0 49.43 -999 ? O3 GOL A 951 >GLU.K 33 19.41 98.09 52.47 20.68 98.50 54.12 20.04 98.30 53.30 2 0 54.54 -999 ? O3 GOL A 951 >THR~K 34 16.38 101.07 49.76 17.37 103.02 49.79 16.87 102.05 49.77 2 0 54.96 -999 ? O3 GOL A 951 >ALA~K 35 13.24 101.06 47.58 11.87 101.52 48.04 12.56 101.29 47.81 2 0 57.80 -999 ? O3 GOL A 951 >ALA~K 36 14.77 103.92 45.51 15.13 105.31 46.04 14.95 104.61 45.78 2 0 55.06 -999 ? O3 GOL A 951 >GLU~K 37 19.67 102.98 46.81 20.76 102.46 48.58 20.22 102.72 47.70 2 0 51.56 -999 ? O3 GOL A 951 >GLN~K 38 16.57 97.52 46.33 15.94 95.83 47.46 16.25 96.68 46.89 2 0 53.28 -999 ? O3 GOL A 951 >THR~K 39 13.87 100.36 41.70 11.94 101.32 42.00 12.91 100.84 41.85 2 0 54.52 -999 ? O3 GOL A 951 >ALA~K 40 16.77 102.00 39.83 17.79 102.98 40.39 17.28 102.49 40.11 2 0 49.27 -999 ? O3 GOL A 951 >ASP~K 41 19.09 97.86 40.87 20.10 96.10 40.30 19.59 96.98 40.58 2 0 45.85 -999 ? O3 GOL A 951 >VAL~K 42 15.47 96.83 38.43 13.72 95.83 39.34 14.60 96.33 38.88 3 0 49.85 -999 ? O3 GOL A 951 >LEU~K 43 14.35 101.02 36.10 12.29 101.66 36.58 13.32 101.34 36.34 3 0 50.79 -999 ? O3 GOL A 951 >ALA~K 44 18.40 99.31 34.64 19.64 99.51 35.51 19.02 99.41 35.07 2 0 44.49 -999 ? O3 GOL A 951 >GLN~K 45 18.57 94.36 36.31 17.89 93.15 37.94 18.23 93.76 37.13 2 0 46.17 -999 ? O3 GOL A 951 >ILE~K 46 13.43 96.93 32.72 12.22 97.04 33.19 12.83 96.99 32.95 3 0 49.07 -999 ? O3 GOL A 951 >ASP~K 47 17.27 99.97 30.34 15.93 101.49 30.98 16.60 100.73 30.66 2 0 46.49 -999 ? O3 GOL A 951 >ARG~K 48 22.39 96.04 31.74 22.53 95.79 34.80 22.46 95.92 33.27 2 0 40.94 -999 ? O3 GOL A 951 >TRP~K 49 17.45 91.63 31.49 19.41 89.00 29.32 18.43 90.31 30.40 3 0 42.34 -999 ? O3 GOL A 951 >LEU~K 50 13.85 96.77 26.78 11.83 96.89 27.59 12.84 96.83 27.19 3 0 47.28 -999 ? O3 GOL A 951 >ALA~K 51 17.59 96.69 24.30 18.78 97.47 24.84 18.18 97.08 24.57 2 0 41.17 -999 ? O3 GOL A 951 >GLU~K 52 19.85 90.85 24.63 21.93 91.19 24.39 20.89 91.02 24.51 2 0 37.23 -999 ? O3 GOL A 951 >CYH~K 53 15.35 92.21 22.33 14.47 91.02 24.75 14.91 91.62 23.54 2 0 44.57 -999 ? O3 GOL A 951 >GLY.K 54 15.35 95.30 20.08 14.92 95.21 20.76 15.14 95.25 20.42 1 0 43.33 -999 ? O3 GOL A 951 >SER.K 55 13.09 97.46 22.26 10.90 97.44 23.32 11.99 97.45 22.79 2 0 48.46 -999 ? O3 GOL A 951 >ASP~K 56 14.05 101.53 24.05 12.74 102.57 22.72 13.39 102.05 23.39 2 0 47.74 -999 ? O3 GOL A 951 >LYS~K 57 11.50 102.01 27.66 14.76 106.47 30.70 13.13 104.24 29.18 2 0 48.98 -999 ? O3 GOL A 951 >ALA~K 58 9.47 104.11 25.17 10.05 105.21 24.27 9.76 104.66 24.72 2 0 51.30 -999 ? O3 GOL A 951 >HIS.K 59 9.08 101.29 21.41 9.63 102.73 19.99 9.35 102.01 20.70 3 0 50.57 -999 ? O3 GOL A 951 >VAL^K 60 6.83 99.36 26.95 7.77 99.21 28.95 7.30 99.29 27.95 3 0 53.19 -999 ? O3 GOL A 951 >LEU^K 61 2.65 97.18 26.02 2.46 97.11 23.87 2.56 97.14 24.95 3 0 56.81 -999 ? O3 GOL A 951 >ASP^K 62 1.67 95.94 30.23 0.57 95.62 31.98 1.12 95.78 31.10 2 0 60.12 -999 ? O3 GOL A 951 >ALA^K 63 4.26 97.14 33.74 5.07 98.41 34.03 4.66 97.78 33.88 2 0 56.85 -999 ? O3 GOL A 951 >VAL^K 64 3.23 95.31 36.88 1.76 93.72 36.96 2.50 94.52 36.92 3 0 59.76 -999 ? O3 GOL A 951 >ILE^K 65 5.24 98.06 40.13 5.81 99.22 39.96 5.52 98.64 40.05 3 0 58.72 -999 ? O3 GOL A 951 >TYR^K 66 4.57 92.25 42.04 3.29 90.86 40.00 3.93 91.56 41.02 3 0 59.88 -999 ? O3 GOL A 951 >LEU^K 67 5.62 97.54 46.77 6.25 99.41 45.84 5.93 98.48 46.31 3 0 61.23 -999 ? O3 GOL A 951 >ARG.K 68 9.81 93.15 52.06 9.65 90.45 53.53 9.73 91.80 52.79 2 0 61.58 -999 ? O3 GOL A 951 >ASP~K 69 6.51 97.53 52.56 5.63 98.40 54.27 6.07 97.97 53.41 2 0 65.84 -999 ? O3 GOL A 951 >MET?K 70 3.09 99.67 49.99 1.39 100.40 47.05 2.24 100.03 48.52 2 0 65.79 -999 ? O3 GOL A 951 >GLY~K 71 4.73 102.13 52.43 4.98 101.84 51.71 4.85 101.98 52.07 1 0 66.12 -999 ? O3 GOL A 951 >ASP~K 72 8.35 101.20 49.40 9.56 100.62 51.02 8.95 100.91 50.21 2 0 61.17 -999 ? O3 GOL A 951 >TYR~K 73 2.63 103.90 46.02 1.14 104.30 43.68 1.89 104.10 44.85 3 0 65.07 -999 ? O3 GOL A 951 >ALA~K 74 6.08 107.23 46.83 5.72 108.34 47.82 5.90 107.79 47.32 2 0 64.38 -999 ? O3 GOL A 951 >GLU~K 75 11.94 105.44 48.05 12.87 104.77 49.83 12.40 105.11 48.94 2 0 58.82 -999 ? O3 GOL A 951 >MET?K 76 9.40 103.79 43.98 7.28 102.37 41.24 8.34 103.08 42.61 2 0 58.40 -999 ? O3 GOL A 951 >ASN~K 77 5.96 106.95 42.53 4.32 105.57 42.63 5.14 106.26 42.58 2 0 62.35 -999 ? O3 GOL A 951 >GLY~K 78 10.01 109.01 42.42 9.98 108.29 42.01 9.99 108.65 42.22 1 0 58.49 -999 ? O3 GOL A 951 >VAL~K 79 12.42 106.74 40.54 14.05 105.49 41.33 13.23 106.12 40.94 3 0 54.20 -999 ? O3 GOL A 951 >TRP~K 80 6.38 105.37 37.17 6.91 102.03 35.17 6.64 103.70 36.17 3 0 57.24 -999 ? O3 GOL A 951 >ASP~K 81 7.85 109.90 38.14 5.97 109.27 38.92 6.91 109.58 38.53 2 0 60.49 -999 ? O3 GOL A 951 >ALA~K 82 12.09 109.91 36.32 13.17 110.22 37.37 12.63 110.07 36.85 2 0 54.12 -999 ? O3 GOL A 951 >TRP~K 83 14.43 103.91 33.43 11.33 101.72 32.40 12.88 102.82 32.91 3 0 50.25 -999 ? O3 GOL A 951 >VAL~K 84 9.57 106.53 32.03 7.78 106.54 33.30 8.68 106.53 32.66 3 0 55.02 -999 ? O3 GOL A 951 >ALA.K 85 9.55 108.18 28.59 9.71 107.45 27.26 9.63 107.81 27.92 2 0 52.94 -999 ? O3 GOL A 951 >ALA.K 86 7.45 111.36 28.69 8.01 112.78 28.78 7.73 112.07 28.74 2 0 56.83 -999 ? O3 GOL A 951 >GLY.K 87 4.29 110.94 26.60 4.67 110.31 26.94 4.48 110.63 26.77 1 0 58.98 -999 ? O3 GOL A 951 >ARG.K 88 7.02 107.33 23.05 6.34 105.37 20.79 6.68 106.35 21.92 2 0 54.38 -999 ? O3 GOL A 951 >THR.K 89 4.22 105.89 29.77 3.62 107.65 30.84 3.92 106.77 30.31 2 0 59.43 -999 ? O3 GOL A 951 >PRO.K 90 4.69 101.74 31.16 3.24 102.89 29.89 3.97 102.31 30.52 3 0 57.60 -999 ? O3 GOL A 951 >ALA^K 91 -0.28 100.79 31.33 -1.12 99.67 30.72 -0.69 100.23 31.02 2 0 61.95 -999 ? O3 GOL A 951 >ARG^K 92 3.21 102.27 36.98 3.40 103.61 39.75 3.30 102.94 38.36 2 0 61.47 -999 ? O3 GOL A 951 >ALA^K 93 -0.49 98.38 38.04 -1.27 97.08 37.82 -0.88 97.73 37.93 2 0 63.85 -999 ? O3 GOL A 951 >CYH^K 94 1.12 98.37 41.47 2.77 99.57 43.35 1.95 98.97 42.41 2 0 62.74 -999 ? O3 GOL A 951 >VAL^K 95 0.22 95.98 44.33 -0.82 94.43 43.10 -0.30 95.21 43.72 3 0 65.08 -999 ? O3 GOL A 951 >GLU^K 96 2.17 94.91 50.12 1.46 95.69 51.93 1.81 95.30 51.03 2 0 67.62 -999 ? O3 GOL A 951 >ALA.K 97 3.20 91.22 47.41 2.94 90.50 46.10 3.07 90.86 46.75 2 0 63.05 -999 ? O3 GOL A 951 >ARG.K 98 6.08 88.88 53.10 3.67 88.74 55.06 4.88 88.81 54.08 2 0 67.26 -999 ? O3 GOL A 951 >LEU.K 99 9.85 89.65 46.35 9.03 91.41 45.27 9.44 90.53 45.81 3 0 57.30 -999 ? O3 GOL A 951 >ALA.K 100 11.36 85.50 46.91 11.92 84.85 45.64 11.64 85.18 46.27 2 0 55.29 -999 ? O3 GOL A 951 >ARG.K 101 17.37 86.20 47.86 17.30 83.78 45.94 17.33 84.99 46.90 2 0 51.18 -999 ? O3 GOL A 951 >PRO.K 102 14.38 87.93 53.53 13.23 88.84 51.84 13.81 88.38 52.68 3 0 57.82 -999 ? O3 GOL A 951 >GLU.K 103 17.59 90.86 51.91 17.58 89.02 50.88 17.59 89.94 51.40 2 0 53.78 -999 ? O3 GOL A 951 >TRP.K 104 15.95 91.01 46.55 15.05 87.73 44.57 15.50 89.37 45.56 3 0 52.11 -999 ? O3 GOL A 951 >ARG.K 105 12.91 98.08 50.77 11.12 97.55 53.22 12.01 97.82 52.00 2 0 60.79 -999 ? O3 GOL A 951 >VAL^K 106 10.41 95.82 44.48 10.96 97.56 43.22 10.69 96.69 43.85 3 0 55.70 -999 ? O3 GOL A 951 >GLU^K 107 9.62 91.15 40.60 9.56 89.11 41.20 9.59 90.13 40.90 2 0 54.89 -999 ? O3 GOL A 951 >ILE^K 108 9.28 96.24 37.68 9.07 97.69 37.66 9.18 96.96 37.67 3 0 54.21 -999 ? O3 GOL A 951 >LYS^K 109 7.12 92.67 35.41 3.71 89.00 33.64 5.41 90.84 34.53 2 0 57.28 -999 ? O3 GOL A 951 >ILE^K 110 8.65 94.87 31.56 8.46 96.37 31.40 8.56 95.62 31.48 3 0 52.38 -999 ? O3 GOL A 951 >THR^K 111 5.58 93.52 28.57 3.82 92.24 28.36 4.70 92.88 28.47 2 0 55.79 -999 ? O3 GOL A 951 >ALA^K 112 6.83 95.52 25.54 8.25 96.00 25.85 7.54 95.76 25.69 2 0 51.29 -999 ? O3 GOL A 951 >VAL^K 113 7.05 95.56 21.70 5.41 96.92 21.07 6.23 96.24 21.39 3 0 52.59 -999 ? O3 GOL A 951 >LYS.K 114 9.91 95.09 19.25 13.17 90.78 15.87 11.54 92.93 17.56 2 0 44.88 -999 ? O3 GOL A 951 >ARG.K 115 12.67 101.35 18.57 15.60 102.28 18.76 14.14 101.81 18.67 2 0 44.47 -999 ? O3 GOL A 951 >ASP.K 116 9.01 98.24 12.81 7.31 97.44 13.78 8.16 97.84 13.29 2 0 51.39 -999 ? O3 GOL A 951 >ALA.K 117 13.20 98.59 11.12 14.19 99.39 11.98 13.70 98.99 11.55 2 0 45.10 -999 ? O3 GOL A 951 >MET?L 1 68.75 42.95 38.05 72.30 42.72 35.72 70.52 42.83 36.88 2 0 50.40 -999 ? O2 GOL A 951 >ASP.L 2 67.97 47.51 36.64 67.10 48.95 35.36 67.54 48.23 36.00 2 0 43.75 -999 ? O2 GOL A 951 >ILE.L 3 66.05 44.24 32.31 65.60 43.21 31.66 65.83 43.72 31.99 3 0 47.00 -999 ? O2 GOL A 951 >ARG^L 4 62.58 51.45 32.58 61.84 54.43 32.62 62.21 52.94 32.60 2 0 37.18 -999 ? O2 GOL A 951 >TYR^L 5 61.99 47.03 27.84 62.79 44.36 28.16 62.39 45.69 28.00 3 0 43.64 -999 ? O2 GOL A 951 >PHE^L 6 63.71 53.84 27.78 64.71 54.00 30.38 64.21 53.92 29.08 3 0 36.33 -999 ? O2 GOL A 951 >GLY^L 7 60.04 53.75 23.08 60.15 53.02 23.44 60.09 53.38 23.26 1 0 34.59 -999 ? O2 GOL A 951 >THR^L 8 58.56 50.27 22.74 58.47 48.67 24.21 58.52 49.47 23.47 2 0 39.86 -999 ? O2 GOL A 951 >THR.L 9 57.04 49.17 19.43 58.33 50.00 17.89 57.68 49.58 18.66 2 0 37.69 -999 ? O2 GOL A 951 >PRO.L 10 54.13 46.76 17.28 55.80 46.36 18.74 54.97 46.56 18.01 3 0 41.46 -999 ? O2 GOL A 951 >ARG.L 11 60.41 45.83 13.15 58.56 46.25 10.73 59.48 46.04 11.94 2 0 41.66 -999 ? O2 GOL A 951 >TYR.L 12 62.46 48.80 17.18 61.73 51.30 16.19 62.10 50.05 16.68 3 0 37.53 -999 ? O2 GOL A 951 >SER^L 13 62.56 48.76 21.92 63.79 48.77 24.06 63.18 48.76 22.99 2 0 39.77 -999 ? O2 GOL A 951 >GLU^L 14 63.86 54.57 20.09 63.35 54.42 18.04 63.60 54.49 19.06 2 0 33.30 -999 ? O2 GOL A 951 >ALA^L 15 66.36 52.07 24.03 66.47 53.50 24.54 66.41 52.78 24.28 2 0 35.61 -999 ? O2 GOL A 951 >VAL^L 16 67.16 49.50 26.74 67.46 47.32 26.42 67.31 48.41 26.58 3 0 41.12 -999 ? O2 GOL A 951 >GLY^L 17 68.93 50.08 30.08 68.45 49.41 30.07 68.69 49.74 30.07 1 0 40.93 -999 ? O2 GOL A 951 >ALA^L 18 70.36 47.40 32.39 70.22 46.06 31.68 70.29 46.73 32.03 2 0 45.42 -999 ? O2 GOL A 951 >ASN.L 19 73.66 46.29 35.33 75.30 46.29 36.73 74.48 46.29 36.03 2 0 48.50 -999 ? O2 GOL A 951 >GLY.L 20 73.97 51.11 34.09 73.83 50.49 33.59 73.90 50.80 33.84 1 0 42.86 -999 ? O2 GOL A 951 >LEU^L 21 75.13 48.23 30.43 76.61 47.40 29.08 75.87 47.82 29.76 3 0 44.74 -999 ? O2 GOL A 951 >ILE^L 22 72.42 52.80 28.02 71.95 53.94 28.44 72.18 53.37 28.23 3 0 38.12 -999 ? O2 GOL A 951 >PHE^L 23 72.72 47.54 24.79 74.82 45.99 25.80 73.77 46.77 25.29 3 0 43.84 -999 ? O2 GOL A 951 >LEU^L 24 70.93 53.56 21.46 70.57 55.40 22.59 70.75 54.48 22.02 3 0 35.09 -999 ? O2 GOL A 951 >SER.L 25 68.52 50.72 18.78 66.32 49.71 19.10 67.42 50.22 18.94 2 0 38.38 -999 ? O2 GOL A 951 >GLY.L 26 69.96 51.28 15.31 69.29 51.62 15.74 69.62 51.45 15.52 1 0 37.40 -999 ? O2 GOL A 951 >MET?L 27 69.31 54.96 14.73 67.43 55.72 17.22 68.37 55.34 15.97 2 0 32.54 -999 ? O2 GOL A 951 >VAL.L 28 68.29 55.89 11.16 67.09 54.10 10.69 67.69 55.00 10.93 3 0 33.61 -999 ? O2 GOL A 951 >PRO.L 29 68.76 58.25 7.55 67.84 58.56 9.57 68.30 58.40 8.56 3 0 30.93 -999 ? O2 GOL A 951 >GLU.L 30 63.70 61.22 12.01 62.81 60.44 13.76 63.25 60.83 12.89 2 0 27.25 -999 ? O2 GOL A 951 >ASN.L 31 65.51 65.03 9.29 63.59 65.46 10.09 64.55 65.24 9.69 2 0 22.96 -999 ? O2 GOL A 951 >GLY.L 32 68.05 65.03 5.61 67.52 64.47 5.38 67.78 64.75 5.50 1 0 25.72 -999 ? O2 GOL A 951 >GLU.L 33 68.56 64.15 -0.31 66.51 63.66 -0.57 67.54 63.91 -0.44 2 0 29.47 -999 ? O2 GOL A 951 >THR~L 34 73.04 63.98 2.31 73.70 66.02 1.82 73.37 65.00 2.07 2 0 28.68 -999 ? O2 GOL A 951 >ALA~L 35 75.29 62.02 4.69 76.62 61.40 4.32 75.95 61.71 4.50 2 0 32.61 -999 ? O2 GOL A 951 >ALA~L 36 76.09 65.15 6.74 76.69 66.43 6.16 76.39 65.79 6.45 2 0 28.09 -999 ? O2 GOL A 951 >GLU~L 37 71.61 67.76 5.43 70.52 68.04 3.63 71.07 67.90 4.53 2 0 24.92 -999 ? O2 GOL A 951 >GLN~L 38 70.41 61.65 6.01 69.95 59.96 4.78 70.18 60.80 5.40 2 0 31.05 -999 ? O2 GOL A 951 >THR~L 39 74.33 62.03 10.57 76.23 62.13 9.51 75.28 62.08 10.04 2 0 30.36 -999 ? O2 GOL A 951 >ALA~L 40 73.38 65.28 12.36 73.27 66.65 11.69 73.32 65.96 12.02 2 0 24.66 -999 ? O2 GOL A 951 >ASP~L 41 68.89 63.68 11.27 66.98 62.89 11.80 67.93 63.28 11.54 2 0 25.72 -999 ? O2 GOL A 951 >VAL~L 42 70.83 60.54 13.77 71.39 58.62 12.83 71.11 59.58 13.30 3 0 29.90 -999 ? O2 GOL A 951 >LEU~L 43 74.42 62.96 16.03 76.43 62.20 15.52 75.42 62.58 15.78 3 0 28.92 -999 ? O2 GOL A 951 >ALA~L 44 70.26 64.28 17.46 69.59 65.33 16.57 69.93 64.80 17.02 2 0 23.90 -999 ? O2 GOL A 951 >GLN~L 45 66.73 60.75 15.73 66.32 59.24 14.28 66.53 59.99 15.01 2 0 28.87 -999 ? O2 GOL A 951 >ILE~L 46 72.04 59.19 19.36 73.06 58.41 18.98 72.55 58.80 19.17 3 0 31.24 -999 ? O2 GOL A 951 >ASP~L 47 71.35 64.10 21.59 73.39 64.37 21.09 72.37 64.23 21.34 2 0 26.90 -999 ? O2 GOL A 951 >ARG~L 48 64.76 63.40 19.83 65.75 64.92 17.34 65.26 64.16 18.58 2 0 23.21 -999 ? O2 GOL A 951 >TRP~L 49 65.26 58.27 20.51 62.40 56.96 22.88 63.83 57.61 21.70 3 0 30.67 -999 ? O2 GOL A 951 >LEU~L 50 71.60 59.64 25.25 73.33 58.36 24.81 72.47 59.00 25.03 3 0 32.20 -999 ? O2 GOL A 951 >ALA~L 51 68.50 62.09 27.49 67.95 63.35 26.81 68.23 62.72 27.15 2 0 27.55 -999 ? O2 GOL A 951 >GLU~L 52 63.01 60.73 26.98 63.41 62.70 26.33 63.21 61.72 26.66 2 0 27.13 -999 ? O2 GOL A 951 >CYH.L 53 67.46 57.35 29.50 67.20 55.45 27.47 67.33 56.40 28.49 2 0 34.76 -999 ? O2 GOL A 951 >GLY.L 54 69.46 59.47 31.95 69.76 59.14 31.23 69.61 59.30 31.59 1 0 33.55 -999 ? O2 GOL A 951 >SER.L 55 72.63 59.53 29.87 74.25 57.97 28.95 73.44 58.75 29.41 2 0 35.07 -999 ? O2 GOL A 951 >ASP.L 56 75.04 62.86 28.15 76.41 62.40 29.69 75.72 62.63 28.92 2 0 32.71 -999 ? O2 GOL A 951 >LYS.L 57 77.23 61.63 24.60 77.80 67.17 21.63 77.51 64.40 23.12 2 0 27.17 -999 ? O2 GOL A 951 >ALA.L 58 79.93 61.85 27.30 80.05 63.00 28.29 79.99 62.42 27.79 2 0 33.61 -999 ? O2 GOL A 951 >HIS.L 59 78.19 59.17 30.99 78.71 60.40 32.62 78.45 59.78 31.81 3 0 36.60 -999 ? O2 GOL A 951 >VAL^L 60 78.91 56.61 25.29 78.12 57.13 23.30 78.51 56.87 24.30 3 0 36.43 -999 ? O2 GOL A 951 >LEU^L 61 80.58 52.16 26.25 80.82 51.64 28.34 80.70 51.90 27.29 3 0 42.42 -999 ? O2 GOL A 951 >ASP^L 62 81.49 50.96 21.68 80.06 49.49 22.09 80.78 50.22 21.88 2 0 43.11 -999 ? O2 GOL A 951 >ALA^L 63 79.43 53.26 18.50 79.38 54.75 18.21 79.40 54.01 18.35 2 0 37.76 -999 ? O2 GOL A 951 >VAL^L 64 79.22 51.15 15.38 79.26 48.96 15.26 79.24 50.05 15.32 3 0 41.77 -999 ? O2 GOL A 951 >ILE^L 65 79.43 54.58 12.10 79.70 55.93 12.30 79.56 55.25 12.20 3 0 37.50 -999 ? O2 GOL A 951 >TYR^L 66 76.00 49.76 10.37 76.17 47.84 12.39 76.09 48.80 11.38 3 0 41.87 -999 ? O2 GOL A 951 >LEU^L 67 78.75 54.35 5.60 79.05 56.37 6.32 78.90 55.36 5.96 3 0 38.18 -999 ? O2 GOL A 951 >ARG.L 68 72.66 53.89 0.37 71.09 51.84 -1.31 71.88 52.87 -0.47 2 0 40.87 -999 ? O2 GOL A 951 >ASP~L 69 78.06 54.97 -0.35 79.42 55.09 -1.99 78.74 55.03 -1.17 2 0 41.39 -999 ? O2 GOL A 951 >MET?L 70 82.09 54.20 2.02 83.78 53.59 4.76 82.93 53.89 3.39 2 0 42.43 -999 ? O2 GOL A 951 >GLY~L 71 82.47 57.28 -0.23 82.06 57.20 0.47 82.27 57.24 0.12 1 0 40.49 -999 ? O2 GOL A 951 >ASP~L 72 79.17 58.96 2.82 77.96 59.47 1.18 78.57 59.21 2.00 2 0 35.97 -999 ? O2 GOL A 951 >TYR~L 73 85.32 57.14 6.17 86.66 56.20 8.45 85.99 56.67 7.31 3 0 40.71 -999 ? O2 GOL A 951 >ALA~L 74 84.75 62.08 5.32 85.52 62.76 4.21 85.14 62.42 4.76 2 0 36.83 -999 ? O2 GOL A 951 >GLU~L 75 79.15 64.60 4.24 77.89 64.55 2.53 78.52 64.58 3.38 2 0 31.53 -999 ? O2 GOL A 951 >MET?L 76 80.23 61.54 7.91 80.57 59.19 10.48 80.40 60.36 9.20 2 0 34.95 -999 ? O2 GOL A 951 >ASN~L 77 84.76 61.80 9.70 85.33 59.75 9.69 85.05 60.78 9.69 2 0 37.55 -999 ? O2 GOL A 951 >GLY~L 78 83.00 65.87 10.00 82.51 65.33 10.35 82.76 65.60 10.17 1 0 31.54 -999 ? O2 GOL A 951 >VAL~L 79 79.62 65.91 11.73 77.57 65.94 10.93 78.60 65.93 11.33 3 0 28.33 -999 ? O2 GOL A 951 >TRP~L 80 83.11 60.93 15.06 80.69 58.54 17.02 81.90 59.74 16.04 3 0 34.90 -999 ? O2 GOL A 951 >ASP~L 81 85.01 65.25 14.09 86.30 63.63 13.64 85.65 64.44 13.87 2 0 35.00 -999 ? O2 GOL A 951 >ALA~L 82 82.05 68.10 15.92 81.29 68.93 14.91 81.67 68.52 15.41 2 0 27.68 -999 ? O2 GOL A 951 >TRP~L 83 76.36 65.18 18.61 77.07 61.51 19.85 76.72 63.34 19.23 3 0 29.17 -999 ? O2 GOL A 951 >VAL~L 84 81.74 63.84 20.27 83.07 62.55 19.07 82.41 63.20 19.67 3 0 32.77 -999 ? O2 GOL A 951 >ALA.L 85 82.89 64.92 23.75 82.23 64.47 25.05 82.56 64.70 24.40 2 0 32.83 -999 ? O2 GOL A 951 >ALA.L 86 86.63 65.77 23.72 87.19 67.18 23.60 86.91 66.47 23.66 2 0 34.09 -999 ? O1 GOL A 951 >GLY.L 87 88.66 63.46 25.95 87.97 63.22 25.57 88.32 63.34 25.76 1 0 38.20 -999 ? O1 GOL A 951 >ARG.L 88 83.93 62.15 29.77 82.25 60.55 31.80 83.09 61.35 30.79 2 0 38.02 -999 ? O2 GOL A 951 >THR.L 89 85.32 59.79 22.81 86.95 60.61 21.61 86.14 60.20 22.21 2 0 37.98 -999 ? O2 GOL A 951 >PRO.L 90 82.24 57.29 20.88 83.95 57.02 22.32 83.09 57.16 21.60 3 0 38.13 -999 ? O2 GOL A 951 >ALA^L 91 85.17 53.04 21.04 85.15 51.70 21.74 85.16 52.37 21.39 2 0 43.74 -999 ? O2 GOL A 951 >ARG^L 92 83.65 56.28 15.38 84.21 57.55 12.65 83.93 56.92 14.02 2 0 38.16 -999 ? O2 GOL A 951 >ALA^L 93 83.92 50.93 14.20 83.52 49.47 14.40 83.72 50.20 14.30 2 0 44.35 -999 ? O2 GOL A 951 >CYH^L 94 82.87 52.02 10.71 82.27 54.17 8.99 82.57 53.10 9.85 2 0 40.24 -999 ? O2 GOL A 951 >VAL^L 95 81.76 49.49 8.09 81.36 47.80 9.47 81.56 48.65 8.78 3 0 44.63 -999 ? O2 GOL A 951 >GLU^L 96 79.86 50.47 2.30 80.58 50.04 0.35 80.22 50.25 1.33 2 0 45.10 -999 ? O2 GOL A 951 >ALA.L 97 76.39 48.22 4.72 76.13 47.57 6.07 76.26 47.90 5.40 2 0 43.88 -999 ? O2 GOL A 951 >ARG.L 98 73.26 48.35 -0.92 73.15 49.94 -3.56 73.21 49.15 -2.24 2 0 44.03 -999 ? O2 GOL A 951 >LEU.L 99 70.44 51.31 5.82 72.27 51.80 6.97 71.36 51.56 6.39 3 0 38.64 -999 ? O2 GOL A 951 >ALA.L 100 66.48 49.44 5.29 65.69 49.50 6.59 66.09 49.47 5.94 2 0 39.43 -999 ? O2 GOL A 951 >ARG.L 101 62.49 52.93 3.69 60.56 53.49 6.04 61.53 53.21 4.87 2 0 35.41 -999 ? O2 GOL A 951 >PRO.L 102 65.64 53.16 -1.44 67.20 53.02 0.18 66.42 53.09 -0.63 3 0 38.55 -999 ? O2 GOL A 951 >GLU.L 103 65.32 57.74 -0.14 64.27 55.93 -0.50 64.80 56.83 -0.32 2 0 35.71 -999 ? O2 GOL A 951 >TRP.L 104 66.55 56.53 5.37 64.88 53.77 7.62 65.71 55.15 6.50 3 0 34.04 -999 ? O2 GOL A 951 >ARG.L 105 73.42 59.59 1.41 74.67 57.87 -0.83 74.04 58.73 0.29 2 0 36.69 -999 ? O2 GOL A 951 >VAL^L 106 73.90 56.19 7.77 74.55 57.87 9.09 74.22 57.03 8.43 3 0 34.12 -999 ? O2 GOL A 951 >GLU^L 107 71.48 52.20 11.68 70.23 50.58 11.12 70.86 51.39 11.40 2 0 38.42 -999 ? O2 GOL A 951 >ILE^L 108 74.98 55.91 14.68 76.01 56.96 14.83 75.50 56.43 14.75 3 0 34.41 -999 ? O2 GOL A 951 >LYS^L 109 74.26 51.95 17.06 76.17 47.74 18.77 75.21 49.84 17.92 2 0 42.77 -999 ? O2 GOL A 951 >ILE^L 110 74.82 54.57 20.89 75.95 55.57 20.91 75.39 55.07 20.90 3 0 35.96 -999 ? O2 GOL A 951 >THR^L 111 76.24 51.46 23.76 76.72 49.37 24.06 76.48 50.41 23.91 2 0 42.18 -999 ? O2 GOL A 951 >ALA^L 112 76.40 53.80 26.76 75.57 55.05 26.49 75.99 54.43 26.62 2 0 37.26 -999 ? O2 GOL A 951 >VAL^L 113 76.43 54.06 30.57 78.55 53.72 31.11 77.49 53.89 30.84 3 0 40.48 -999 ? O2 GOL A 951 >LYS.L 114 74.09 55.78 33.06 70.63 55.49 37.82 72.36 55.63 35.44 2 0 40.14 -999 ? O2 GOL A 951 >ARG.L 115 74.03 62.44 33.09 71.46 64.05 33.68 72.74 63.24 33.39 2 0 31.42 -999 ? O2 GOL A 951