REMARK SOURCE hebe.pdb HEADER UNKNOWN FUNCTION 19-JUL-06 2HR2 COMPND HYPOTHETICAL PROTEIN; COMPND 3 CHAIN: A, B, C, D, E, F; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: CHLOROBIUM TEPIDUM; SOURCE 3 ORGANISM_TAXID: 194439; SOURCE 4 STRAIN: TLS; SOURCE 5 GENE: NP_663012.1; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 7 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) HET MSE A 37 8 HET MSE A 43 8 HET MSE A 121 8 HET MSE A 130 8 HET MSE A 144 8 HET MSE A 145 8 HET MSE B 1 8 HET MSE B 37 8 HET MSE B 43 8 HET MSE B 121 8 HET MSE B 130 8 HET MSE B 144 8 HET MSE B 145 8 HET MSE C 1 8 HET MSE C 37 8 HET MSE C 43 8 HET MSE C 121 8 HET MSE C 130 8 HET MSE C 144 8 HET MSE C 145 8 HET MSE D 1 8 HET MSE D 37 8 HET MSE D 43 8 HET MSE D 121 8 HET MSE D 130 8 HET MSE D 144 8 HET MSE D 145 8 HET MSE E 1 8 HET MSE E 37 8 HET MSE E 43 8 HET MSE E 121 8 HET MSE E 130 8 HET MSE E 144 8 HET MSE E 145 8 HET MSE F 1 8 HET MSE F 37 8 HET MSE F 43 8 HET MSE F 121 8 HET MSE F 130 8 HET MSE F 144 8 HET MSE F 145 8 HET CL C 159 1 HET CL F 159 1 HET CL E 159 1 HET GOL E 160 6 HET GOL D 159 6 HET GOL B 159 6 HET GOL A 159 6 HET GOL C 160 6 HET GOL F 160 6 HET GOL C 161 6 HET GOL C 162 6 HET GOL F 161 6 HET GOL F 162 6 HET GOL E 161 6 HET GOL C 163 6 HET GOL F 163 6 SITE 1 AC1 1 ARG C 116 SITE 1 AC2 1 ARG E 143 SITE 1 AC3 5 GLN B 20 ASN B 32 ASP E 16 ASN E 32 SITE 1 AC4 4 GLU D 64 SER D 102 MSE D 144 HOH D 166 SITE 1 AC5 3 GLU B 64 SER B 102 ARG B 143 SITE 1 AC6 2 GLU A 64 SER A 102 SITE 1 AC7 3 ARG C 34 HIS C 59 LYS C 81 SITE 1 AC8 3 GLU F 64 SER F 102 GOL F 163 SITE 1 AC9 6 ASP C 16 GLN C 20 ASN C 32 ARG C 35 SITE 1 BC1 5 GLY C 140 ARG C 143 HOH C 180 VAL E 22 SITE 1 BC2 6 ASP A 16 GLN A 20 ASN A 32 ASP F 16 SITE 1 BC3 2 HIS F 59 HOH F 171 SITE 1 BC4 3 HIS E 77 ASP E 80 ARG E 116 SITE 1 BC5 4 ASN C 87 TRP C 100 GLU C 123 LYS C 126 SITE 1 BC6 4 VAL B 22 GLY F 140 ARG F 143 GOL F 160 >PRO~A 3 100.59 67.41 63.03 101.41 65.56 64.03 101.00 66.48 63.53 3 0 20.96 -999 ? O3 GOL F 161 >LEU~A 4 97.20 63.40 62.18 95.65 64.90 62.05 96.42 64.15 62.12 3 0 18.11 -999 ? C3 GOL B 159 >LYS~A 5 100.47 60.32 63.13 104.63 56.92 61.87 102.55 58.62 62.50 2 0 13.26 -999 ? O3 GOL F 161 >GLU~A 6 102.97 61.74 67.14 103.68 63.76 67.29 103.33 62.75 67.22 2 0 18.08 -999 ? O3 GOL F 161 >VAL~A 7 97.01 60.88 67.55 95.54 62.51 67.34 96.27 61.70 67.44 3 0 16.17 -999 ? O3 GOL F 161 >VAL~A 8 96.15 57.84 65.43 95.52 57.56 63.35 95.83 57.70 64.39 3 0 12.98 -999 ? O3 GOL F 161 >GLY~A 9 99.13 55.88 66.81 98.48 56.21 67.21 98.80 56.05 67.01 1 0 9.99 -999 ? O3 GOL F 161 >ALA~A 10 97.92 56.39 70.38 97.89 57.73 71.11 97.91 57.06 70.74 2 0 12.33 -999 ? O3 GOL F 161 >TYR~A 11 92.45 57.35 69.27 90.76 59.19 70.53 91.61 58.27 69.90 3 0 15.09 -999 ? O3 GOL F 161 >LEU~A 12 95.97 52.20 66.43 95.00 52.43 64.48 95.48 52.31 65.46 3 0 8.28 -999 ? O3 GOL F 161 >ALA~A 13 97.54 51.32 70.64 98.69 52.13 71.19 98.11 51.72 70.92 2 0 7.05 -999 ? O3 GOL F 161 >LEU~A 14 94.03 53.09 73.55 93.08 53.42 75.50 93.56 53.26 74.53 3 0 11.80 -999 ? O3 GOL F 161 >SER~A 15 92.14 49.94 70.87 90.96 51.49 69.42 91.55 50.72 70.15 2 0 10.85 -999 ? O3 GOL F 161 >ASP~A 16 96.03 47.05 70.08 96.16 47.26 67.96 96.09 47.16 69.02 2 0 -4.25 -999 ? O3 GOL F 161s >ALA~A 17 94.94 46.99 74.40 95.43 48.15 75.25 95.19 47.57 74.82 2 0 7.94 -999 ? C1 GOL F 161 >GLN~A 18 90.43 49.34 75.28 89.54 51.10 74.50 89.98 50.22 74.89 2 0 11.06 -999 ? O2 GOL A 159 >ARG~A 19 89.77 44.04 68.77 89.73 46.64 67.08 89.75 45.34 67.92 2 0 10.56 -999 ? O3 GOL F 161 >GLN~A 20 95.67 42.58 73.03 97.52 43.62 72.73 96.60 43.10 72.88 2 0 -3.75 -999 ? C1 GOL F 161s >LEU~A 21 91.38 44.07 78.40 92.46 45.53 79.61 91.92 44.80 79.01 3 0 7.26 -999 ? O1 GOL A 159 >VAL~A 22 88.78 41.02 76.50 87.05 41.56 75.22 87.91 41.29 75.86 3 0 8.62 -999 ? C2 GOL A 159 >ALA~A 23 90.95 38.15 75.21 91.80 38.26 73.95 91.38 38.20 74.58 2 0 9.92 -999 ? O3 GOL D 159 >GLY~A 24 92.82 37.78 78.52 93.17 38.07 77.85 93.00 37.93 78.18 1 0 8.91 -999 ? O3 GOL D 159 >GLU~A 25 96.03 37.88 74.65 96.53 38.19 72.61 96.28 38.03 73.63 2 0 6.98 -999 ? O1 GOL F 161 >TYR~A 26 95.30 40.17 81.71 92.65 39.39 82.15 93.97 39.78 81.93 3 0 9.21 -999 ? C1 GOL A 159 >ASP~A 27 101.73 39.99 79.12 102.11 38.72 80.79 101.92 39.35 79.95 2 0 10.59 -999 ? O1 GOL F 161 >GLU~A 28 100.61 40.72 74.17 100.62 38.99 75.42 100.61 39.85 74.80 2 0 5.98 -999 ? O1 GOL F 161 >ALA~A 29 97.40 44.85 77.07 96.13 44.36 77.78 96.76 44.60 77.43 2 0 8.26 -999 ? O1 GOL F 161 >ALA~A 30 99.53 46.42 79.80 100.18 45.69 80.95 99.85 46.06 80.38 2 0 10.01 -999 ? O1 GOL F 161 >ALA~A 31 102.35 47.07 77.32 103.10 46.00 76.56 102.72 46.54 76.94 2 0 6.26 -999 ? O1 GOL F 161 >ASN~A 32 98.90 47.96 73.96 99.66 46.87 72.31 99.28 47.42 73.13 2 0 -3.27 -999 ? C1 GOL F 161s >CYH~A 33 98.38 50.95 77.44 96.20 49.65 78.56 97.29 50.30 78.00 2 0 10.59 -999 ? C1 GOL F 161 >ARG~A 34 103.88 50.10 80.95 103.22 48.88 83.73 103.55 49.49 82.34 2 0 13.82 -999 ? O1 GOL F 161 >ARG~A 35 103.86 50.67 71.58 101.55 50.50 69.53 102.71 50.58 70.56 2 0 4.90 -999 ? O3 GOL F 161 >ALA~A 36 99.57 54.55 74.07 98.15 54.08 74.34 98.86 54.31 74.21 2 0 10.45 -999 ? O3 GOL F 161 >MET?A 37 100.45 57.10 76.77 99.05 56.37 80.80 99.75 56.74 78.79 2 0 15.96 -999 ? C1 GOL F 161 >GLU~A 38 106.47 56.43 75.21 107.75 54.73 75.32 107.11 55.58 75.27 2 0 13.63 -999 ? O3 GOL F 161 >ILE~A 39 102.12 57.31 71.22 101.98 56.55 70.02 102.05 56.93 70.62 3 0 11.36 -999 ? O3 GOL F 161 >SER~A 40 100.24 60.69 73.43 99.46 60.26 75.69 99.85 60.47 74.56 2 0 16.19 -999 ? O3 GOL F 161 >HIS~A 41 102.25 62.01 77.81 100.70 61.59 79.17 101.48 61.80 78.49 3 0 18.98 -999 ? O3 GOL F 161 >THR.A 42 105.15 63.10 72.38 105.45 61.18 71.39 105.30 62.14 71.89 2 0 16.39 -999 ? O3 GOL F 161 >MET?A 43 102.65 65.55 70.86 98.52 64.36 70.50 100.59 64.95 70.68 2 0 18.58 -999 ? O3 GOL F 161 >PRO.A 44 102.67 69.31 68.59 103.20 68.60 70.67 102.94 68.96 69.63 3 0 23.14 -999 ? O3 GOL F 161 >PRO.A 45 103.19 72.56 73.81 101.82 70.93 73.09 102.51 71.74 73.45 3 0 26.38 -999 ? O3 GOL F 161 >ALA.A 48 94.23 69.76 70.32 93.01 70.31 69.60 93.62 70.04 69.96 2 0 23.04 -999 ? O2 GOL B 159 >PHE.A 49 95.18 64.33 72.29 95.15 61.60 72.75 95.17 62.97 72.52 3 0 18.25 -999 ? O3 GOL F 161 >ASP~A 50 90.72 64.92 75.55 89.94 64.84 77.53 90.33 64.88 76.54 2 0 20.17 -999 ? O2 GOL A 159 >HIS~A 51 97.39 65.34 76.51 98.51 65.78 74.79 97.95 65.56 75.65 3 0 21.09 -999 ? O3 GOL F 161 >ALA~A 52 93.49 64.14 80.82 92.75 65.29 81.47 93.12 64.71 81.14 2 0 20.39 -999 ? O1 GOL A 159 >GLY~A 53 90.71 61.91 79.49 91.51 61.84 79.33 91.11 61.87 79.41 1 0 17.16 -999 ? O2 GOL A 159 >PHE~A 54 94.40 59.22 75.29 95.54 57.18 73.79 94.97 58.20 74.54 3 0 14.78 -999 ? O3 GOL F 161 >ASP~A 55 96.32 60.17 80.83 97.88 60.93 79.58 97.10 60.55 80.21 2 0 19.02 -999 ? O3 GOL F 161 >ALA~A 56 92.49 58.18 82.37 91.28 59.04 82.67 91.88 58.61 82.52 2 0 13.88 -999 ? O1 GOL A 159 >PHE~A 57 89.52 56.68 78.28 87.11 58.06 77.97 88.31 57.37 78.13 3 0 12.79 -999 ? O2 GOL A 159 >CYH~A 58 94.80 54.19 79.51 95.98 55.50 77.32 95.39 54.85 78.41 2 0 13.89 -999 ? C1 GOL F 161 >HIS~A 59 96.56 55.85 84.31 98.30 57.02 84.26 97.43 56.43 84.29 3 0 14.54 -999 ? O1 GOL A 159 >ALA~A 60 91.82 52.20 83.66 90.49 52.71 83.14 91.15 52.46 83.40 2 0 7.65 -999 ? O1 GOL A 159 >GLY~A 61 92.83 49.64 81.05 93.26 49.92 81.71 93.04 49.78 81.38 1 0 7.49 -999 ? O1 GOL A 159 >LEU~A 62 97.32 50.40 82.76 99.47 50.09 83.04 98.39 50.24 82.90 3 0 11.90 -999 ? O1 GOL A 159 >ALA~A 63 94.77 48.70 86.06 93.86 49.68 86.80 94.32 49.19 86.43 2 0 7.75 -999 ? O1 GOL A 159 >GLU~A 64 90.75 44.78 83.22 89.26 44.97 81.71 90.01 44.88 82.47 2 0 -3.55 -999 ? O1 GOL A 159s >ALA~A 65 95.47 44.23 83.01 96.32 44.83 81.90 95.89 44.53 82.45 2 0 9.31 -999 ? O1 GOL A 159 >LEU~A 66 98.26 45.75 86.67 100.02 46.81 85.94 99.14 46.28 86.31 3 0 11.79 -999 ? O1 GOL A 159 >ALA~A 67 94.88 43.14 88.28 93.49 43.74 88.38 94.18 43.44 88.33 2 0 7.37 -999 ? O1 GOL A 159 >GLY~A 68 94.56 40.21 85.86 95.23 40.47 86.27 94.89 40.34 86.06 1 0 9.12 -999 ? O1 GOL A 159 >LEU~A 69 99.38 40.30 85.54 99.91 40.28 83.42 99.64 40.29 84.48 3 0 13.37 -999 ? O1 GOL A 159 >ARG.A 70 96.63 36.13 90.71 94.93 36.48 93.28 95.78 36.31 91.99 2 0 14.56 -999 ? C1 GOL A 159 >SER~A 71 100.47 42.61 90.09 102.14 44.10 89.14 101.31 43.36 89.61 2 0 15.43 -999 ? O1 GOL A 159 >PHE~A 72 96.94 42.44 93.50 95.50 40.13 92.87 96.22 41.29 93.19 3 0 13.04 -999 ? O1 GOL A 159 >ASP~A 73 102.08 47.01 94.38 102.69 48.68 95.54 102.38 47.84 94.96 2 0 18.92 -999 ? O1 GOL A 159 >GLU~A 74 103.40 47.79 89.47 104.51 46.93 87.86 103.95 47.36 88.67 2 0 17.32 -999 ? O1 GOL F 161 >ALA~A 75 97.38 47.97 89.60 96.65 46.64 89.76 97.01 47.31 89.68 2 0 10.53 -999 ? O1 GOL A 159 >LEU~A 76 96.78 49.74 94.07 95.76 50.47 95.83 96.27 50.11 94.95 3 0 14.19 -999 ? O1 GOL A 159 >HIS~A 77 100.46 53.28 93.06 101.01 53.76 95.02 100.74 53.52 94.04 3 0 17.97 -999 ? O1 GOL A 159 >SER~A 78 97.17 52.89 87.98 96.98 52.19 85.69 97.07 52.54 86.83 2 0 11.47 -999 ? O1 GOL A 159 >ALA~A 79 93.54 52.72 89.17 92.92 51.60 89.98 93.23 52.16 89.58 2 0 9.55 -999 ? O1 GOL A 159 >ASP~A 80 95.13 55.78 92.67 94.67 54.52 94.31 94.90 55.15 93.49 2 0 14.84 -999 ? O1 GOL A 159 >ALA~A 82 92.31 56.96 86.61 91.90 55.59 86.12 92.11 56.28 86.36 2 0 10.80 -999 ? O1 GOL A 159 >LEU~A 83 89.89 56.82 90.80 88.82 54.92 90.94 89.36 55.87 90.87 3 0 11.95 -999 ? O1 GOL A 159 >HIS~A 84 93.56 62.75 90.54 94.05 64.68 91.21 93.80 63.71 90.87 3 0 19.95 -999 ? O1 GOL A 159 >TYR~A 85 90.01 62.18 84.27 88.65 63.24 82.07 89.33 62.71 83.17 3 0 17.04 -999 ? O1 GOL A 159 >PHE~A 86 86.99 58.15 85.73 87.69 56.86 83.37 87.34 57.50 84.55 3 0 11.64 -999 ? O2 GOL A 159 >ASN~A 87 86.77 61.47 91.81 86.76 59.42 92.44 86.77 60.44 92.12 2 0 15.67 -999 ? O1 GOL A 159 >GLY~A 90 83.69 61.81 85.14 83.27 62.47 85.34 83.48 62.14 85.24 1 0 15.85 -999 ? O2 GOL A 159 >GLU.A 91 80.03 63.53 82.70 79.51 64.75 81.05 79.77 64.14 81.88 2 0 19.58 -999 ? O2 GOL A 159 >LEU.A 92 77.98 57.67 86.16 77.86 55.78 87.24 77.92 56.73 86.70 3 0 13.25 -999 ? O2 GOL A 159 >ASN.A 93 74.56 58.45 82.31 73.56 57.91 84.11 74.06 58.18 83.21 2 0 16.53 -999 ? O2 GOL A 159 >GLN.A 94 78.09 60.61 79.02 78.51 62.29 77.78 78.30 61.45 78.40 2 0 18.33 -999 ? O2 GOL A 159 >ASP~A 95 80.99 55.28 76.15 79.60 54.36 74.86 80.29 54.82 75.51 2 0 13.05 -999 ? O2 GOL A 159 >GLU~A 96 84.36 58.96 80.85 84.21 61.07 81.17 84.29 60.01 81.01 2 0 15.12 -999 ? O2 GOL A 159 >GLY~A 97 81.24 55.47 82.81 81.64 55.06 82.26 81.44 55.27 82.54 1 0 10.13 -999 ? O2 GOL A 159 >LYS~A 98 82.11 51.88 81.87 80.64 50.31 76.31 81.38 51.10 79.09 2 0 9.33 -999 ? O2 GOL A 159 >LEU~A 99 86.69 53.50 81.45 87.60 52.72 79.61 87.14 53.11 80.53 3 0 7.78 -999 ? O2 GOL A 159 >TRP~A 100 84.71 56.05 88.29 82.23 59.09 88.47 83.47 57.57 88.38 3 0 12.61 -999 ? O2 GOL A 159 >ILE~A 101 82.00 50.75 86.49 80.62 50.31 86.64 81.31 50.53 86.57 3 0 6.66 -999 ? O2 GOL A 159 >SER~A 102 86.21 49.28 85.76 87.94 48.58 84.17 87.08 48.93 84.97 2 0 -2.82 -999 ? O1 GOL A 159s >ALA~A 103 88.75 51.42 87.65 89.01 52.89 87.39 88.88 52.16 87.52 2 0 7.72 -999 ? O1 GOL A 159 >VAL~A 104 86.76 51.18 90.90 85.05 52.32 91.72 85.90 51.75 91.31 3 0 9.04 -999 ? O1 GOL A 159 >TYR~A 105 85.79 45.22 89.35 85.65 42.44 89.44 85.72 43.83 89.40 3 0 4.99 -999 ? C1 GOL A 159 >SER~A 106 90.28 47.14 89.75 90.69 47.40 87.34 90.49 47.27 88.54 2 0 4.47 -999 ? O1 GOL A 159 >ARG~A 107 90.83 52.63 94.59 91.14 53.24 97.59 90.99 52.93 96.09 2 0 15.35 -999 ? O1 GOL A 159 >ALA~A 108 88.81 46.80 94.96 87.34 46.52 94.74 88.07 46.66 94.85 2 0 10.11 -999 ? O1 GOL A 159 >LEU~A 109 90.63 43.29 92.07 89.16 42.10 90.99 89.90 42.69 91.53 3 0 7.94 -999 ? C1 GOL A 159 >ALA~A 110 94.00 45.36 94.14 94.48 46.65 93.49 94.24 46.01 93.81 2 0 11.30 -999 ? O1 GOL A 159 >LEU~A 111 92.14 47.25 98.22 92.23 49.41 98.43 92.19 48.33 98.32 3 0 14.67 -999 ? O1 GOL A 159 >ASP~A 112 90.70 42.23 97.61 89.99 40.42 98.44 90.34 41.32 98.02 2 0 14.89 -999 ? C1 GOL A 159 >GLY~A 113 94.99 41.23 96.73 94.97 41.79 97.31 94.98 41.51 97.02 1 0 14.95 -999 ? O1 GOL A 159 >LEU~A 114 97.49 44.81 98.78 98.68 45.75 97.22 98.08 45.28 98.00 3 0 17.05 -999 ? O1 GOL A 159 >GLY.A 115 95.44 42.05 102.12 95.32 42.78 101.81 95.38 42.42 101.97 1 0 19.57 -999 ? O1 GOL A 159 >ARG~A 116 96.46 47.87 101.50 96.68 50.68 100.22 96.57 49.28 100.86 2 0 18.72 -999 ? O1 GOL A 159 >GLY~A 117 90.20 43.93 103.03 90.44 44.60 103.38 90.32 44.26 103.20 1 0 18.67 -999 ? O1 GOL A 159 >ALA~A 118 88.86 46.67 105.32 89.56 47.20 106.56 89.21 46.94 105.94 2 0 22.05 -999 ? O1 GOL A 159 >GLU~A 119 91.46 50.26 103.36 93.33 51.03 102.86 92.39 50.64 103.11 2 0 19.81 -999 ? O1 GOL A 159 >ALA~A 120 88.40 46.73 99.67 89.04 45.37 99.45 88.72 46.05 99.56 2 0 14.89 -999 ? O1 GOL A 159 >MET?A 121 84.93 46.06 101.07 83.88 44.06 104.65 84.40 45.06 102.86 2 0 20.28 -999 ? C1 GOL A 159 >PRO~A 122 85.23 50.30 102.15 83.88 49.00 100.92 84.56 49.65 101.54 3 0 17.55 -999 ? O1 GOL A 159 >GLU~A 123 87.19 50.84 97.05 86.82 52.48 95.72 87.01 51.66 96.38 2 0 12.92 -999 ? O1 GOL A 159 >PHE~A 124 84.55 44.30 96.34 86.81 42.90 95.49 85.68 43.60 95.91 3 0 11.44 -999 ? C1 GOL A 159 >LYS~A 126 80.62 51.08 95.42 80.11 56.65 94.74 80.36 53.86 95.08 2 0 16.30 -999 ? O2 GOL A 159 >VAL~A 127 80.93 48.92 92.28 82.41 47.54 91.40 81.67 48.23 91.84 3 0 9.42 -999 ? O2 GOL A 159 >VAL~A 128 77.45 47.47 92.86 76.68 45.73 93.96 77.06 46.60 93.41 3 0 12.72 -999 ? C3 GOL A 159 >GLU~A 129 75.96 51.29 96.21 76.65 52.47 97.85 76.31 51.88 97.03 2 0 17.96 -999 ? O2 GOL A 159 >MET?A 130 77.41 52.43 90.45 81.48 53.67 90.86 79.44 53.05 90.66 2 0 11.26 -999 ? O2 GOL A 159 >ILE~A 131 76.40 48.07 88.45 76.94 46.84 88.01 76.67 47.46 88.23 3 0 9.87 -999 ? O2 GOL A 159 >GLU~A 132 72.18 48.83 91.85 71.75 49.03 93.90 71.96 48.93 92.87 2 0 17.29 -999 ? C3 GOL A 159 >GLU~A 133 73.64 56.27 90.21 75.12 57.34 91.30 74.38 56.80 90.75 2 0 17.01 -999 ? O2 GOL A 159 >ARG~A 134 77.19 52.89 83.47 77.03 52.82 80.39 77.11 52.85 81.93 2 0 10.92 -999 ? O2 GOL A 159 >GLY.A 136 72.73 51.99 80.14 72.72 51.55 80.84 72.73 51.77 80.49 1 0 14.09 -999 ? O2 GOL A 159 >THR.A 138 77.36 47.74 81.44 77.67 48.80 83.30 77.52 48.27 82.37 2 0 7.93 -999 ? O2 GOL A 159 >PRO.A 139 79.33 46.02 77.94 78.82 45.35 80.02 79.08 45.69 78.98 3 0 7.33 -999 ? C3 GOL A 159 >GLY~A 140 80.56 42.28 82.44 79.93 42.75 82.60 80.25 42.52 82.52 1 0 4.38 -999 ? C3 GOL A 159 >LYS~A 141 78.31 43.57 85.24 72.25 44.69 83.76 75.28 44.13 84.50 2 0 12.32 -999 ? C3 GOL A 159 >GLU~A 142 75.25 39.44 84.81 75.45 40.58 83.02 75.35 40.01 83.92 2 0 9.65 -999 ? C3 GOL A 159 >ARG~A 143 84.41 38.92 84.88 84.55 36.16 83.51 84.48 37.54 84.20 2 0 6.43 -999 ? O3 GOL A 159 >MET?A 144 81.76 42.02 88.78 82.98 45.66 86.78 82.37 43.84 87.78 2 0 4.08 -999 ? C3 GOL A 159 >MET?A 145 78.68 41.87 91.01 74.97 43.52 89.71 76.83 42.69 90.36 2 0 11.41 -999 ? C3 GOL A 159 >GLU~A 146 79.52 35.69 91.48 78.90 34.03 90.36 79.21 34.86 90.92 2 0 9.60 -999 ? O1 GOL C 161 >VAL~A 147 82.85 38.76 92.75 84.78 38.96 91.74 83.82 38.86 92.25 3 0 9.14 -999 ? O3 GOL A 159 >ALA~A 148 81.83 41.80 94.81 81.07 43.00 94.26 81.45 42.40 94.53 2 0 11.02 -999 ? O3 GOL A 159 >ILE~A 149 77.70 39.61 96.25 76.97 39.72 96.62 77.33 39.67 96.43 3 0 14.22 -999 ? O2 GOL C 161 >ASP~A 150 81.78 35.86 96.30 80.24 34.83 95.25 81.01 35.34 95.77 2 0 13.04 -999 ? O1 GOL C 161 >ARG~A 151 86.79 37.92 97.27 88.60 37.14 99.66 87.69 37.53 98.46 2 0 16.99 -999 ? O3 GOL A 159 >ILE~A 152 80.88 42.02 100.46 80.20 43.30 100.39 80.54 42.66 100.43 3 0 17.05 -999 ? O3 GOL A 159 >ALA~A 153 80.82 37.88 102.54 79.91 36.86 101.90 80.37 37.37 102.22 2 0 18.19 -999 ? O1 GOL C 161 >GLN~A 154 84.35 34.44 100.90 84.95 34.06 98.88 84.65 34.25 99.89 2 0 17.16 -999 ? O3 GOL A 159 >LEU~A 155 86.18 40.60 103.45 87.79 41.10 102.05 86.98 40.85 102.75 3 0 18.58 -999 ? C1 GOL A 159 >GLY~A 156 83.11 39.69 106.70 83.55 39.01 106.57 83.33 39.35 106.63 1 0 22.96 -999 ? C1 GOL A 159 >ALA~A 157 83.69 36.09 107.88 82.89 34.96 107.24 83.29 35.53 107.56 2 0 23.33 -999 ? O1 GOL C 161 >MET?B 1 46.92 51.03 55.96 46.47 46.75 56.36 46.69 48.89 56.16 2 0 18.90 -999 ? O2 GOL C 163 >PRO.B 3 49.15 55.32 55.60 50.71 54.07 54.55 49.93 54.69 55.07 3 0 19.13 -999 ? O2 GOL C 163 >LEU.B 4 51.00 51.20 58.51 51.17 50.94 60.65 51.09 51.07 59.58 3 0 14.55 -999 ? O2 GOL C 163 >GLU.B 6 53.99 52.50 51.42 52.76 54.12 50.75 53.37 53.31 51.08 2 0 17.99 -999 ? O3 GOL E 160 >VAL.B 7 56.93 52.72 56.70 56.35 53.90 58.48 56.64 53.31 57.59 3 0 16.79 -999 ? O3 GOL E 160 >VAL.B 8 57.81 49.12 57.56 56.78 47.50 58.64 57.29 48.31 58.10 3 0 13.73 -999 ? O3 GOL E 160 >GLY.B 9 58.78 48.34 53.97 59.10 48.90 54.48 58.94 48.62 54.23 1 0 10.58 -999 ? O3 GOL E 160 >ALA.B 10 61.29 51.19 53.90 60.92 52.65 53.91 61.11 51.92 53.91 2 0 12.70 -999 ? O3 GOL E 160 >TYR.B 11 62.02 51.62 59.51 62.19 53.94 61.05 62.11 52.78 60.28 3 0 15.36 -999 ? O1 GOL C 162 >LEU.B 12 62.16 45.67 56.13 61.17 44.46 57.64 61.67 45.07 56.89 3 0 9.06 -999 ? O3 GOL E 160 >ALA.B 13 64.88 47.65 53.11 64.27 48.50 52.00 64.57 48.07 52.56 2 0 7.32 -999 ? O3 GOL E 160 >LEU.B 14 67.01 51.20 55.68 68.39 52.83 56.06 67.70 52.01 55.87 3 0 12.20 -999 ? O3 GOL E 160 >SER.B 15 67.99 47.25 57.66 66.31 47.43 59.40 67.15 47.34 58.53 2 0 10.16 -999 ? O1 GOL C 162 >ASP.B 16 67.82 44.26 53.82 66.39 42.81 54.53 67.11 43.54 54.17 2 0 5.15 -999 ? O3 GOL E 160 >ALA.B 17 71.16 47.20 53.23 70.79 48.56 52.68 70.97 47.88 52.96 2 0 8.05 -999 ? C1 GOL E 160 >GLN.B 18 71.96 49.87 57.61 70.67 50.65 59.10 71.31 50.26 58.35 2 0 11.49 -999 ? O2 GOL B 159 >ARG.B 19 71.33 41.85 59.22 68.44 41.84 58.11 69.89 41.84 58.66 2 0 7.81 -999 ? O1 GOL C 162 >GLN.B 20 72.77 42.94 52.13 71.18 43.39 50.75 71.98 43.16 51.44 2 0 -3.53 -999 ? C1 GOL E 160s >LEU.B 21 77.01 48.04 54.48 76.46 49.78 53.30 76.74 48.91 53.89 3 0 7.39 -999 ? O1 GOL B 159 >VAL.B 22 78.80 44.78 56.89 78.31 44.56 59.03 78.56 44.67 57.96 3 0 -5.53 -999 ? O2 GOL F 163s >ALA.B 23 78.94 41.60 54.79 77.73 40.74 54.49 78.33 41.17 54.64 2 0 5.06 -999 ? O2 GOL F 163 >GLY.B 24 80.58 43.36 51.81 79.82 43.10 51.79 80.20 43.23 51.80 1 0 5.15 -999 ? O2 GOL F 163 >GLU~B 25 76.66 40.52 50.18 74.87 39.41 50.43 75.77 39.97 50.30 2 0 6.70 -999 ? C1 GOL E 160 >TYR~B 26 80.14 46.99 48.94 81.94 46.98 51.04 81.04 46.99 49.99 3 0 8.50 -999 ? O2 GOL F 163 >ASP~B 27 75.99 44.56 43.92 77.73 44.74 42.74 76.86 44.65 43.33 2 0 9.98 -999 ? O1 GOL E 160 >GLU~B 28 72.71 41.89 46.93 74.62 41.31 46.23 73.66 41.60 46.58 2 0 5.81 -999 ? O1 GOL E 160 >ALA~B 29 73.28 47.18 49.60 74.55 47.42 50.38 73.92 47.30 49.99 2 0 7.88 -999 ? C1 GOL E 160 >ALA~B 30 73.19 49.96 47.02 74.14 50.14 45.85 73.66 50.05 46.43 2 0 9.45 -999 ? O1 GOL E 160 >ALA~B 31 70.03 48.52 45.46 69.93 47.16 44.79 69.98 47.84 45.13 2 0 5.33 -999 ? O1 GOL E 160 >ASN~B 32 68.59 47.22 49.99 67.98 45.20 49.59 68.28 46.21 49.79 2 0 -3.62 -999 ? C1 GOL E 160s >CYH~B 33 69.17 51.82 49.85 71.47 51.77 51.28 70.32 51.80 50.56 2 0 10.42 -999 ? C1 GOL E 160 >ARG~B 34 70.21 52.92 43.80 73.02 53.20 42.53 71.61 53.06 43.16 2 0 12.38 -999 ? O1 GOL E 160 >ARG~B 35 63.44 47.16 46.76 63.15 45.83 49.53 63.29 46.49 48.14 2 0 4.84 -999 ? O3 GOL E 160 >ALA~B 36 64.25 52.13 50.70 65.33 52.12 51.76 64.79 52.12 51.23 2 0 10.59 -999 ? O3 GOL E 160 >MET?B 37 63.97 55.74 49.46 67.57 58.09 49.27 65.77 56.91 49.36 2 0 16.02 -999 ? O1 GOL E 160 >ILE~B 39 59.50 52.04 49.94 59.32 50.70 50.28 59.41 51.37 50.11 3 0 11.54 -999 ? O3 GOL E 160 >SER~B 40 59.59 56.18 51.61 61.69 57.44 51.45 60.64 56.81 51.53 2 0 16.30 -999 ? O3 GOL E 160 >HIS~B 41 60.76 59.96 48.44 62.48 60.81 49.27 61.62 60.38 48.86 3 0 19.08 -999 ? O3 GOL E 160 >THR.B 42 55.39 56.81 47.98 55.96 54.79 47.46 55.68 55.80 47.72 2 0 16.44 -999 ? O3 GOL E 160 >MET?B 43 53.79 57.82 51.31 56.10 57.16 54.83 54.95 57.49 53.07 2 0 18.94 -999 ? O3 GOL E 160 >PRO.B 44 49.93 59.13 52.88 51.52 59.91 51.50 50.72 59.52 52.19 3 0 23.03 -999 ? O2 GOL C 163 >PRO.B 45 51.17 64.94 51.11 52.20 63.37 52.35 51.68 64.16 51.73 3 0 25.32 -999 ? O2 GOL C 163 >GLU.B 46 47.68 62.83 55.14 47.59 62.59 53.03 47.64 62.71 54.08 2 0 23.55 -999 ? O2 GOL C 163 >ALA.B 48 54.18 61.41 60.03 53.84 61.40 61.51 54.01 61.41 60.77 2 0 15.93 -999 ? O2 GOL C 163 >PHE.B 49 58.58 58.58 57.31 60.63 56.85 56.57 59.60 57.72 56.94 3 0 18.64 -999 ? O3 GOL E 160 >ASP~B 50 62.08 61.64 60.36 63.77 62.91 60.37 62.93 62.27 60.36 2 0 20.40 -999 ? O1 GOL B 159 >HIS~B 51 59.74 61.92 54.06 57.88 60.99 53.76 58.81 61.46 53.91 3 0 21.34 -999 ? O3 GOL E 160 >ALA~B 52 64.93 64.29 55.77 64.94 65.64 56.47 64.93 64.97 56.12 2 0 20.40 -999 ? O1 GOL B 159 >GLY~B 53 66.61 62.05 58.34 66.22 61.81 57.66 66.42 61.93 58.00 1 0 17.20 -999 ? O1 GOL B 159 >PHE~B 54 64.13 56.89 55.90 63.98 54.29 54.96 64.05 55.59 55.43 3 0 15.12 -999 ? O3 GOL E 160 >ASP~B 55 66.40 61.13 52.40 64.43 60.85 51.66 65.42 60.99 52.03 2 0 19.11 -999 ? O1 GOL B 159 >ALA~B 56 70.18 61.01 54.91 70.31 61.98 56.08 70.24 61.50 55.49 2 0 13.90 -999 ? O1 GOL B 159 >PHE~B 57 69.75 57.37 58.81 69.79 58.29 61.47 69.77 57.83 60.14 3 0 13.03 -999 ? O2 GOL B 159 >CYH~B 58 69.95 55.94 53.01 67.24 55.26 52.94 68.60 55.60 52.98 2 0 13.99 -999 ? O3 GOL E 160 >HIS~B 59 71.16 60.20 50.08 69.57 60.88 48.88 70.37 60.54 49.48 3 0 14.73 -999 ? O1 GOL B 159 >ALA~B 60 75.12 57.55 53.81 75.03 57.73 55.31 75.08 57.64 54.56 2 0 7.68 -999 ? O1 GOL B 159 >GLY~B 61 74.65 53.80 53.33 74.73 54.40 52.75 74.69 54.10 53.04 1 0 7.57 -999 ? O1 GOL B 159 >LEU~B 62 73.46 55.06 48.79 72.93 54.83 46.68 73.19 54.95 47.73 3 0 12.05 -999 ? O1 GOL B 159 >ALA~B 63 77.72 56.26 49.56 77.93 57.56 50.33 77.82 56.91 49.95 2 0 7.90 -999 ? O1 GOL B 159 >GLU~B 64 80.14 51.97 53.44 79.56 51.15 55.31 79.85 51.56 54.38 2 0 -3.58 -999 ? O1 GOL B 159s >ALA~B 65 78.30 50.86 49.10 76.85 50.49 48.85 77.57 50.68 48.97 2 0 9.47 -999 ? O1 GOL B 159 >LEU~B 66 78.59 54.14 45.57 76.72 54.25 44.46 77.66 54.20 45.01 3 0 11.95 -999 ? O1 GOL B 159 >ALA~B 67 82.70 53.62 47.49 82.96 54.30 48.82 82.83 53.96 48.15 2 0 7.58 -999 ? O1 GOL B 159 >GLY~B 68 83.13 49.86 48.08 82.96 50.26 47.38 83.05 50.06 47.73 1 0 9.27 -999 ? O1 GOL B 159 >LEU~B 69 80.91 49.33 43.81 79.26 47.96 44.06 80.08 48.64 43.94 3 0 12.54 -999 ? CL CL F 159 >ARG.B 70 88.08 49.89 43.45 90.20 51.93 44.42 89.14 50.91 43.93 2 0 5.87 -999 ? CL CL F 159 >SER~B 71 81.95 53.86 41.67 79.70 54.04 40.75 80.82 53.95 41.21 2 0 14.19 -999 ? CL CL F 159 >PHE~B 72 85.74 56.34 43.66 87.36 54.33 44.74 86.55 55.34 44.20 3 0 10.18 -999 ? CL CL F 159 >ASP~B 73 81.29 59.72 39.51 81.02 61.68 38.74 81.16 60.70 39.13 2 0 18.30 -999 ? CL CL F 159 >GLU~B 74 77.01 56.97 40.31 76.08 55.14 39.73 76.54 56.06 40.02 2 0 16.28 -999 ? O1 GOL E 160 >ALA~B 75 79.44 57.82 45.77 80.67 57.02 46.14 80.06 57.42 45.95 2 0 10.65 -999 ? O1 GOL B 159 >LEU~B 76 81.47 62.17 45.08 82.56 63.97 45.51 82.02 63.07 45.29 3 0 14.31 -999 ? O1 GOL B 159 >HIS~B 77 75.22 63.51 43.67 73.72 64.97 43.57 74.47 64.24 43.62 3 0 17.83 -999 ? O1 GOL B 159 >SER~B 78 75.34 60.40 47.52 74.45 58.34 48.42 74.89 59.37 47.97 2 0 11.53 -999 ? O1 GOL B 159 >ALA~B 79 77.67 61.43 50.36 79.17 61.21 50.41 78.42 61.32 50.39 2 0 9.68 -999 ? O1 GOL B 159 >ASP~B 80 77.38 65.86 48.29 79.47 66.07 47.92 78.43 65.97 48.10 2 0 14.91 -999 ? O1 GOL B 159 >LYS~B 81 73.31 64.64 49.87 69.50 62.91 45.00 71.40 63.78 47.44 2 0 18.85 -999 ? O1 GOL B 159 >ALA~B 82 73.79 62.98 53.28 74.52 61.67 53.56 74.15 62.33 53.42 2 0 10.87 -999 ? O1 GOL B 159 >LEU~B 83 77.59 65.93 53.91 79.33 64.77 54.53 78.46 65.35 54.22 3 0 12.04 -999 ? O1 GOL B 159 >HIS~B 84 72.12 69.80 51.99 71.07 71.61 51.82 71.60 70.70 51.91 3 0 20.04 -999 ? O1 GOL B 159 >TYR~B 85 69.98 65.43 57.34 68.68 64.79 59.72 69.33 65.11 58.53 3 0 16.78 -999 ? O1 GOL B 159 >PHE~B 86 74.59 63.81 58.70 73.52 61.24 58.67 74.06 62.52 58.68 3 0 11.71 -999 ? O1 GOL B 159 >ASN~B 87 76.50 70.37 57.38 78.26 69.35 56.71 77.38 69.86 57.04 2 0 15.81 -999 ? O1 GOL B 159 >GLY~B 90 73.20 66.43 62.64 73.07 67.09 63.09 73.14 66.76 62.86 1 0 16.27 -999 ? O2 GOL B 159 >LEU.B 92 78.80 64.68 66.65 80.80 64.10 66.01 79.80 64.39 66.33 3 0 13.59 -999 ? O2 GOL B 159 >ASN.B 93 77.23 62.98 71.26 79.14 63.92 71.32 78.19 63.45 71.29 2 0 16.61 -999 ? O2 GOL B 159 >GLN.B 94 72.28 62.14 69.63 70.45 63.19 69.38 71.37 62.67 69.51 2 0 18.43 -999 ? O2 GOL B 159 >ASP~B 95 72.43 56.01 66.99 72.44 54.74 68.68 72.44 55.37 67.84 2 0 13.64 -999 ? O2 GOL B 159 >GLU~B 96 71.19 60.93 63.38 70.54 62.97 63.53 70.87 61.95 63.45 2 0 15.66 -999 ? O2 GOL B 159 >GLY~B 97 76.74 60.46 64.41 76.48 59.75 64.15 76.61 60.10 64.28 1 0 10.45 -999 ? O2 GOL B 159 >LYS~B 98 78.08 57.09 63.24 75.58 52.90 66.71 76.83 55.00 64.97 2 0 10.00 -999 ? O2 GOL B 159 >LEU~B 99 74.91 57.64 59.58 73.87 55.79 59.14 74.39 56.72 59.36 3 0 8.29 -999 ? O2 GOL B 159 >TRP~B 100 78.67 64.16 59.43 77.82 66.81 62.19 78.25 65.48 60.81 3 0 12.88 -999 ? O1 GOL B 159 >ILE~B 101 81.93 59.41 61.40 82.89 59.40 62.48 82.41 59.41 61.94 3 0 6.93 -999 ? O2 GOL B 159 >SER~B 102 80.63 57.34 57.56 79.55 55.49 56.48 80.09 56.42 57.02 2 0 -2.61 -999 ? O1 GOL B 159s >ALA~B 103 79.45 59.92 55.00 78.21 60.79 55.13 78.83 60.35 55.06 2 0 7.76 -999 ? O1 GOL B 159 >VAL~B 104 82.53 62.10 55.59 83.06 63.64 57.06 82.80 62.87 56.32 3 0 9.04 -999 ? O1 GOL B 159 >TYR~B 105 85.74 56.74 55.80 87.67 54.79 55.31 86.71 55.77 55.55 3 0 4.81 -999 ? C1 GOL B 159 >SER~B 106 82.96 58.00 51.95 81.16 56.44 52.44 82.06 57.22 52.20 2 0 4.62 -999 ? O1 GOL B 159 >ARG~B 107 82.44 65.29 50.85 83.82 67.69 49.46 83.13 66.49 50.16 2 0 15.53 -999 ? O1 GOL B 159 >ALA~B 108 87.17 61.37 51.36 87.82 61.19 52.71 87.50 61.28 52.04 2 0 10.20 -999 ? O1 GOL B 159 >LEU~B 109 86.85 56.67 50.05 87.64 55.29 51.50 87.24 55.98 50.78 3 0 7.92 -999 ? C1 GOL B 159 >ALA~B 110 85.45 59.23 46.65 84.00 59.67 46.69 84.72 59.45 46.67 2 0 11.43 -999 ? O1 GOL B 159 >LEU~B 111 87.64 63.54 47.24 86.36 65.28 47.49 87.00 64.41 47.37 3 0 14.78 -999 ? O1 GOL B 159 >ASP~B 112 91.08 59.57 47.76 93.15 59.22 47.94 92.12 59.40 47.85 2 0 13.57 -999 ? CL CL F 159 >GLY~B 113 89.40 57.82 43.98 89.42 58.62 43.90 89.41 58.22 43.94 1 0 11.09 -999 ? CL CL F 159 >LEU~B 114 87.42 61.56 41.63 85.32 61.06 41.27 86.37 61.31 41.45 3 0 15.05 -999 ? CL CL F 159 >GLY.B 115 92.21 61.96 41.78 91.58 62.31 42.15 91.89 62.13 41.96 1 0 14.51 -999 ? CL CL F 159 >ARG~B 116 87.79 65.71 42.12 85.07 66.88 42.94 86.43 66.30 42.53 2 0 18.92 -999 ? O1 GOL B 159 >GLY~B 117 93.70 64.48 46.61 93.40 65.18 46.40 93.55 64.83 46.50 1 0 17.90 -999 ? CL CL F 159 >ALA~B 118 93.99 68.15 47.57 94.22 69.31 46.62 94.10 68.73 47.09 2 0 22.11 -999 ? O1 GOL B 159 >GLU~B 119 89.24 69.34 46.69 87.70 69.38 45.25 88.47 69.36 45.97 2 0 19.95 -999 ? O1 GOL B 159 >ALA~B 120 90.43 64.49 50.02 90.88 63.27 49.23 90.65 63.88 49.63 2 0 14.90 -999 ? C1 GOL B 159 >MET?B 121 93.21 65.34 52.48 96.19 65.61 54.20 94.70 65.47 53.34 2 0 18.41 -999 ? C1 GOL B 159 >PRO~B 122 90.97 69.12 52.77 91.62 67.46 54.14 91.29 68.29 53.45 3 0 17.56 -999 ? O1 GOL B 159 >GLU~B 123 86.70 65.94 52.79 84.96 66.52 53.85 85.83 66.23 53.32 2 0 13.26 -999 ? O1 GOL B 159 >PHE~B 124 91.45 60.90 54.23 90.94 59.11 52.16 91.19 60.01 53.19 3 0 11.35 -999 ? C1 GOL B 159 >LYS~B 125 91.68 64.84 58.74 96.32 68.89 57.07 94.00 66.87 57.91 2 0 20.70 -999 ? C1 GOL B 159 >VAL~B 127 87.23 61.93 59.94 87.00 60.17 58.64 87.12 61.05 59.29 3 0 9.29 -999 ? C1 GOL B 159 >VAL~B 128 89.95 61.63 62.59 92.12 61.25 62.51 91.04 61.44 62.55 3 0 12.79 -999 ? C3 GOL B 159 >GLU~B 129 90.22 66.79 63.43 90.22 68.54 62.20 90.22 67.66 62.82 2 0 17.78 -999 ? O2 GOL B 159 >MET?B 130 85.22 63.67 64.51 83.16 64.50 60.88 84.19 64.09 62.69 2 0 11.56 -999 ? O2 GOL B 159 >ILE~B 131 87.13 59.25 65.24 87.43 57.99 64.64 87.28 58.62 64.94 3 0 9.73 -999 ? O2 GOL B 159 >GLU~B 132 90.61 62.52 68.20 91.95 64.11 67.79 91.28 63.32 67.99 2 0 17.29 -999 ? O2 GOL B 159 >GLU~B 133 85.56 66.68 68.08 84.83 67.80 66.43 85.19 67.24 67.25 2 0 16.69 -999 ? O2 GOL B 159 >ARG~B 134 80.30 59.47 67.54 78.38 57.11 68.16 79.34 58.29 67.85 2 0 10.61 -999 ? O2 GOL B 159 >GLY.B 136 80.66 56.92 72.41 81.39 57.07 72.08 81.02 57.00 72.24 1 0 14.03 -999 ? O2 GOL B 159 >THR.B 138 82.35 54.20 66.88 82.82 56.20 66.21 82.59 55.20 66.54 2 0 7.92 -999 ? O2 GOL B 159 >PRO.B 139 80.35 50.42 66.00 82.34 51.34 65.56 81.34 50.88 65.78 3 0 7.23 -999 ? O2 GOL B 159 >GLY~B 140 85.21 50.49 62.47 85.27 51.00 63.08 85.24 50.75 62.78 1 0 4.42 -999 ? C3 GOL B 159 >LYS~B 141 87.11 53.53 63.74 87.69 54.28 70.00 87.40 53.91 66.87 2 0 12.42 -999 ? C3 GOL B 159 >GLU~B 142 90.54 50.42 65.87 88.54 50.06 66.54 89.54 50.24 66.20 2 0 9.52 -999 ? C3 GOL B 159 >ARG~B 143 87.38 49.15 57.47 88.36 46.24 57.27 87.87 47.69 57.37 2 0 -6.18 -999 ? O3 GOL B 159s >MET?B 144 89.03 54.40 59.03 84.93 55.69 59.40 86.98 55.04 59.22 2 0 3.98 -999 ? O2 GOL B 159 >MET?B 145 91.82 56.07 61.00 91.24 56.81 65.17 91.53 56.44 63.08 2 0 11.25 -999 ? C3 GOL B 159 >GLU~B 146 95.79 51.74 58.87 96.51 49.93 59.61 96.15 50.83 59.24 2 0 9.98 -999 ? O3 GOL F 161 >VAL~B 147 93.29 54.53 55.93 91.75 53.81 54.53 92.52 54.17 55.23 3 0 9.11 -999 ? O3 GOL B 159 >ALA~B 148 93.09 58.24 56.75 92.27 58.84 57.88 92.68 58.54 57.32 2 0 11.07 -999 ? C1 GOL B 159 >ILE~B 149 97.08 57.93 59.56 97.62 58.29 60.09 97.35 58.11 59.82 3 0 14.88 -999 ? O3 GOL F 161 >ASP~B 150 97.84 54.84 55.03 98.37 53.52 56.61 98.11 54.18 55.82 2 0 13.77 -999 ? O3 GOL F 161 >ARG~B 151 95.23 56.44 50.49 96.63 58.13 48.24 95.93 57.28 49.36 2 0 13.49 -999 ? CL CL F 159 >ILE~B 152 97.00 62.12 55.76 96.44 62.98 56.78 96.72 62.55 56.27 3 0 16.77 -999 ? C1 GOL B 159 >ALA~B 153 101.01 60.65 54.72 101.45 59.51 55.63 101.23 60.08 55.17 2 0 18.35 -999 ? O3 GOL F 161 >GLN~B 154 100.90 56.85 50.98 99.61 55.21 50.48 100.26 56.03 50.73 2 0 14.13 -999 ? CL CL F 159 >LEU~B 155 98.13 63.03 50.03 96.20 62.46 49.11 97.16 62.75 49.57 3 0 18.09 -999 ? CL CL F 159 >GLY~B 156 102.01 64.82 51.58 102.28 64.13 51.38 102.15 64.47 51.48 1 0 22.44 -999 ? CL CL F 159 >ALA.B 157 105.29 62.91 51.03 105.42 61.39 51.09 105.36 62.15 51.06 2 0 21.55 -999 ? CL CL F 159 >MET?C 1 74.65 43.41 104.07 77.46 40.28 104.39 76.06 41.84 104.23 2 0 20.24 -999 ? O2 GOL C 161 >PRO.C 3 70.71 45.31 103.49 70.31 43.57 102.11 70.51 44.44 102.80 3 0 19.60 -999 ? O2 GOL C 161 >LEU.C 4 74.46 44.50 99.56 75.87 45.61 98.32 75.17 45.06 98.94 3 0 18.08 -999 ? O3 GOL A 159 >GLU.C 6 68.04 40.07 99.86 67.02 40.88 101.53 67.53 40.47 100.69 2 0 16.48 -999 ? O2 GOL C 161 >VAL.C 7 70.06 43.43 95.26 70.63 45.55 95.41 70.34 44.49 95.33 3 0 14.90 -999 ? O2 GOL C 161 >VAL.C 8 72.67 41.35 93.45 74.86 41.16 93.64 73.77 41.25 93.54 3 0 12.07 -999 ? O2 GOL C 161 >GLY.C 9 70.52 38.20 93.68 70.36 38.93 93.32 70.44 38.57 93.50 1 0 8.80 -999 ? O2 GOL C 161 >ALA.C 10 67.63 39.96 91.94 66.83 41.11 92.54 67.23 40.54 92.24 2 0 10.83 -999 ? O2 GOL C 161 >TYR.C 11 70.61 44.00 89.38 69.90 46.69 89.12 70.25 45.35 89.25 3 0 13.95 -999 ? O2 GOL C 161 >LEU.C 12 72.45 37.42 89.29 74.57 37.85 89.47 73.51 37.64 89.38 3 0 7.64 -999 ? O2 GOL C 161 >ALA.C 13 68.09 36.47 88.31 67.07 36.45 89.41 67.58 36.46 88.86 2 0 5.53 -999 ? O2 GOL C 161 >LEU.C 14 66.53 40.53 86.08 65.17 41.79 84.91 65.85 41.16 85.49 3 0 10.57 -999 ? O2 GOL C 161 >SER.C 15 70.06 38.89 83.72 71.74 40.51 84.32 70.90 39.70 84.02 2 0 10.14 -999 ? O2 GOL C 161 >ASP.C 16 69.63 34.11 84.67 71.49 33.86 85.69 70.56 33.99 85.18 2 0 -4.13 -999 ? C1 GOL C 161s >ALA.C 17 66.07 35.51 82.40 64.98 36.21 83.20 65.53 35.86 82.80 2 0 8.04 -999 ? O2 GOL C 161 >GLN.C 18 66.71 40.36 80.61 67.61 42.12 81.40 67.16 41.24 81.01 2 0 12.70 -999 ? O2 GOL C 161 >ARG.C 19 73.39 35.39 79.04 73.86 35.35 82.09 73.63 35.37 80.57 2 0 7.91 -999 ? C1 GOL C 161 >GLN.C 20 67.50 31.51 80.50 66.88 31.14 82.48 67.19 31.33 81.49 2 0 -4.22 -999 ? O3 GOL C 161s >LEU.C 21 64.08 36.30 76.79 62.42 36.92 78.04 63.25 36.61 77.42 3 0 9.46 -999 ? O3 GOL C 162 >VAL.C 22 67.03 35.39 73.63 68.72 36.77 73.25 67.88 36.08 73.44 3 0 6.42 -999 ? CL CL E 159 >ALA.C 23 67.75 31.64 73.65 68.57 30.95 74.73 68.16 31.30 74.19 2 0 5.72 -999 ? CL CL E 159 >GLY.C 24 64.04 30.75 73.51 64.49 30.61 74.17 64.26 30.68 73.84 1 0 5.75 -999 ? CL CL E 159 >GLU~C 25 66.43 28.14 76.87 68.22 27.82 77.92 67.32 27.98 77.40 2 0 8.06 -999 ? O3 GOL C 161 >TYR~C 26 59.91 31.53 75.64 60.44 32.77 73.20 60.17 32.15 74.42 3 0 9.22 -999 ? CL CL E 159 >ASP~C 27 59.80 26.78 80.62 59.13 25.85 82.37 59.46 26.31 81.50 2 0 9.98 -999 ? O3 GOL C 161 >GLU~C 28 64.68 27.04 81.74 63.44 26.22 80.19 64.06 26.63 80.96 2 0 7.76 -999 ? O3 GOL C 161 >ALA~C 29 62.93 32.78 81.72 62.81 33.37 80.32 62.87 33.08 81.02 2 0 8.80 -999 ? O3 GOL C 161 >ALA~C 30 59.46 33.02 83.23 58.26 32.22 82.77 58.86 32.62 83.00 2 0 8.83 -999 ? O1 GOL C 160 >ALA~C 31 60.60 31.30 86.42 61.10 29.86 86.53 60.85 30.58 86.47 2 0 6.94 -999 ? O3 GOL C 161 >ASN~C 32 64.92 33.59 85.88 66.26 31.99 86.24 65.59 32.79 86.06 2 0 -3.35 -999 ? C3 GOL C 161s >CYH~C 33 61.56 36.76 86.27 61.53 37.42 83.60 61.55 37.08 84.94 2 0 9.15 -999 ? O1 GOL C 160 >ARG~C 34 55.85 33.74 88.57 54.25 32.99 85.99 55.05 33.37 87.28 2 0 -4.98 -999 ? O1 GOL C 160s >ARG~C 35 65.01 32.12 91.51 67.83 32.95 90.55 66.42 32.54 91.03 2 0 -3.10 -999 ? O2 GOL C 161s >ALA~C 36 63.83 38.11 90.58 64.16 38.71 89.22 64.00 38.41 89.90 2 0 8.86 -999 ? O2 GOL C 161 >MET?C 37 60.75 39.93 91.90 57.60 41.20 89.32 59.18 40.56 90.61 2 0 4.92 -999 ? C1 GOL C 160 >ILE~C 39 65.22 38.06 95.16 66.43 37.35 95.00 65.83 37.70 95.08 3 0 9.88 -999 ? O2 GOL C 161 >SER~C 40 63.49 42.19 95.26 61.79 42.73 93.60 62.64 42.46 94.43 2 0 10.02 -999 ? O3 GOL C 160 >HIS~C 41 58.54 42.55 95.94 57.89 43.43 94.15 58.22 42.99 95.05 3 0 7.77 -999 ? O3 GOL C 160 >THR.C 42 62.36 40.66 100.50 63.40 38.89 99.81 62.88 39.78 100.16 2 0 14.11 -999 ? C1 GOL C 160 >MET?C 43 64.43 43.85 100.99 66.18 45.69 97.58 65.30 44.77 99.29 2 0 16.26 -999 ? O3 GOL C 160 >PRO.C 44 66.04 46.24 104.28 64.03 45.73 103.41 65.03 45.98 103.84 3 0 19.18 -999 ? O3 GOL C 160 >PRO.C 45 60.76 49.29 104.93 62.05 48.77 103.15 61.40 49.03 104.04 3 0 18.42 -999 ? O3 GOL C 160 >ALA.C 48 67.52 52.32 98.24 68.59 53.37 98.02 68.06 52.84 98.13 2 0 21.97 -999 ? O3 GOL C 160 >PHE.C 49 66.03 47.97 94.58 66.04 46.04 92.57 66.04 47.01 93.58 3 0 15.31 -999 ? O3 GOL C 160 >ASP~C 50 64.45 51.87 90.92 62.86 52.57 89.70 63.66 52.22 90.31 2 0 15.91 -999 ? O3 GOL C 160 >HIS~C 51 61.26 47.97 95.29 62.49 47.31 96.86 61.88 47.64 96.08 3 0 13.08 -999 ? O3 GOL C 160 >ALA~C 52 58.74 50.32 90.42 58.29 51.76 90.43 58.52 51.04 90.42 2 0 12.69 -999 ? O3 GOL C 160 >GLY~C 53 61.24 50.24 87.54 61.10 49.65 88.10 61.17 49.94 87.82 1 0 13.37 -999 ? O3 GOL C 160 >PHE~C 54 64.05 45.15 89.71 65.26 42.64 89.64 64.66 43.89 89.67 3 0 12.32 -999 ? C1 GOL C 160 >ASP~C 55 58.09 45.63 89.65 58.36 44.95 91.65 58.22 45.29 90.65 2 0 7.44 -999 ? O3 GOL C 160 >ALA~C 56 58.35 46.75 85.30 58.40 48.22 84.96 58.38 47.48 85.13 2 0 11.11 -999 ? O3 GOL C 160 >PHE~C 57 63.33 46.93 83.90 64.20 49.58 83.70 63.77 48.25 83.80 3 0 14.78 -999 ? O1 GOL C 163 >CYH~C 58 60.59 41.82 85.22 62.08 41.64 87.62 61.33 41.73 86.42 2 0 9.23 -999 ? C1 GOL C 160 >HIS~C 59 55.35 42.68 85.92 54.64 42.44 87.88 55.00 42.56 86.90 3 0 -4.55 -999 ? O2 GOL C 160s >ALA~C 60 58.06 42.96 80.52 58.92 44.13 80.14 58.49 43.55 80.33 2 0 11.06 -999 ? O2 GOL C 160 >GLY~C 61 60.41 39.96 80.42 59.61 40.00 80.65 60.01 39.98 80.54 1 0 10.55 -999 ? O2 GOL C 160 >LEU~C 62 57.13 37.92 83.33 56.17 36.37 84.51 56.65 37.14 83.92 3 0 5.57 -999 ? O2 GOL C 160 >ALA~C 63 55.16 38.83 79.35 54.72 40.24 79.11 54.94 39.54 79.23 2 0 8.73 -999 ? O2 GOL C 160 >GLU~C 64 59.64 38.13 75.06 61.57 38.95 74.88 60.61 38.54 74.97 2 0 7.14 -999 ? O3 GOL C 162 >ALA~C 65 58.23 34.54 77.96 58.88 34.26 79.32 58.55 34.40 78.64 2 0 11.15 -999 ? O1 GOL C 160 >LEU~C 66 53.64 34.46 79.58 53.58 34.01 81.72 53.61 34.24 80.65 3 0 8.20 -999 ? O2 GOL C 160 >ALA~C 67 53.67 34.96 75.03 53.95 36.33 74.44 53.81 35.64 74.73 2 0 12.25 -999 ? O3 GOL C 162 >GLY~C 68 56.37 32.58 73.72 55.71 32.42 74.20 56.04 32.50 73.96 1 0 11.41 -999 ? O3 GOL C 162 >LEU~C 69 54.87 29.51 77.12 56.59 28.79 78.24 55.73 29.15 77.68 3 0 13.87 -999 ? O1 GOL C 160 >ARG.C 70 51.54 28.94 70.74 50.07 30.75 68.68 50.80 29.85 69.71 2 0 16.29 -999 ? O3 GOL C 162 >SER~C 71 50.03 31.27 77.80 50.07 30.88 80.23 50.05 31.07 79.02 2 0 10.96 -999 ? O2 GOL C 160 >PHE~C 72 48.19 33.94 74.10 49.55 33.03 71.83 48.87 33.48 72.96 3 0 13.84 -999 ? CL CL C 159 >ASP~C 73 45.11 34.17 80.42 43.09 34.32 79.88 44.10 34.24 80.15 2 0 9.66 -999 ? CL CL C 159 >GLU~C 74 49.16 33.01 83.24 50.53 31.46 83.84 49.85 32.24 83.54 2 0 8.36 -999 ? O2 GOL C 160 >ALA~C 75 51.02 37.19 79.40 51.26 36.71 77.97 51.14 36.95 78.69 2 0 9.78 -999 ? O2 GOL C 160 >LEU~C 76 46.94 39.65 78.59 45.60 41.17 77.82 46.27 40.41 78.20 3 0 5.23 -999 ? CL CL C 159 >HIS~C 77 46.36 39.29 83.89 44.29 39.11 84.21 45.33 39.20 84.05 3 0 7.07 -999 ? CL CL C 159 >SER~C 78 52.03 40.72 83.04 54.30 39.95 83.23 53.17 40.34 83.14 2 0 4.70 -999 ? O2 GOL C 160 >ALA~C 79 52.27 43.13 80.08 51.81 42.84 78.67 52.04 42.99 79.37 2 0 8.12 -999 ? O3 GOL C 163 >ASP~C 80 48.12 44.97 81.90 46.94 44.54 80.17 47.53 44.75 81.04 2 0 4.35 -999 ? CL CL C 159 >LYS~C 81 51.52 45.61 84.85 49.48 41.79 89.46 50.50 43.70 87.15 2 0 -3.09 -999 ? C3 GOL C 160s >ALA~C 82 54.63 46.66 82.90 55.36 45.81 81.86 54.99 46.23 82.38 2 0 9.05 -999 ? C1 GOL C 163 >LEU~C 83 51.64 48.82 79.75 52.22 48.14 77.75 51.93 48.48 78.75 3 0 3.99 -999 ? C1 GOL C 163 >HIS~C 84 49.76 50.86 86.06 48.62 52.10 87.31 49.19 51.48 86.68 3 0 10.48 -999 ? O3 GOL C 163 >TYR~C 85 57.08 51.65 85.45 59.57 52.86 85.69 58.33 52.26 85.57 3 0 11.63 -999 ? O1 GOL C 163 >PHE~C 86 57.27 50.81 80.43 59.35 49.01 80.87 58.31 49.91 80.65 3 0 8.29 -999 ? O1 GOL C 163 >ASN~C 87 51.35 54.46 80.40 50.97 53.01 78.87 51.16 53.74 79.63 2 0 -3.30 -999 ? C1 GOL C 163s >GLY~C 90 58.62 55.60 80.81 58.52 56.39 80.90 58.57 55.99 80.86 1 0 8.90 -999 ? O1 GOL C 163 >GLU.C 91 62.19 58.65 80.46 63.89 59.41 81.49 63.04 59.03 80.97 2 0 14.94 -999 ? O1 GOL C 163 >LEU.C 92 60.25 56.33 73.91 59.54 55.12 72.23 59.90 55.73 73.07 3 0 8.98 -999 ? O1 GOL C 163 >ASN.C 93 64.97 58.45 73.41 63.75 58.91 71.73 64.36 58.68 72.57 2 0 14.03 -999 ? O1 GOL C 163 >GLN.C 94 66.07 57.10 78.73 67.91 58.11 79.11 66.99 57.61 78.92 2 0 17.22 -999 ? O1 GOL C 163 >ASP~C 95 68.65 51.00 77.92 70.57 51.32 77.06 69.61 51.16 77.49 2 0 16.59 -999 ? O3 GOL C 162 >GLU~C 96 62.53 52.43 80.67 62.36 53.88 82.19 62.44 53.16 81.43 2 0 12.24 -999 ? O1 GOL C 163 >GLY~C 97 62.37 52.06 75.84 62.78 51.40 76.02 62.58 51.73 75.93 1 0 10.34 -999 ? O1 GOL C 163 >LYS~C 98 63.35 48.67 74.39 69.33 48.01 74.41 66.34 48.34 74.40 2 0 12.21 -999 ? O3 GOL C 162 >LEU~C 99 61.84 46.88 78.67 63.27 45.42 79.45 62.56 46.15 79.06 3 0 12.63 -999 ? O1 GOL C 163 >TRP~C 100 55.98 51.15 76.68 56.39 55.06 76.83 56.19 53.10 76.75 3 0 -4.33 -999 ? O1 GOL C 163s >ILE~C 101 59.26 48.63 72.02 59.74 49.18 70.80 59.50 48.90 71.41 3 0 9.30 -999 ? O1 GOL C 163 >SER~C 102 58.53 44.73 74.09 59.48 42.82 75.25 59.01 43.77 74.67 2 0 9.39 -999 ? O3 GOL C 162 >ALA~C 103 55.62 44.98 76.54 55.60 45.84 77.79 55.61 45.41 77.17 2 0 7.28 -999 ? C1 GOL C 163 >VAL~C 104 53.38 46.62 73.91 53.11 48.66 73.15 53.25 47.64 73.53 3 0 4.93 -999 ? C1 GOL C 163 >TYR~C 105 55.79 42.51 69.87 56.03 40.57 67.88 55.91 41.54 68.87 3 0 8.81 -999 ? O3 GOL C 162 >SER~C 106 53.58 41.14 74.05 55.59 40.46 75.27 54.59 40.80 74.66 2 0 11.27 -999 ? O3 GOL C 162 >ARG~C 107 48.28 45.72 76.32 45.34 46.52 75.86 46.81 46.12 76.09 2 0 4.74 -999 ? O3 GOL C 163 >ALA~C 108 49.37 42.71 71.01 50.15 43.42 69.91 49.76 43.07 70.46 2 0 9.24 -999 ? C2 GOL C 163 >LEU~C 109 51.76 38.47 71.00 53.43 38.30 69.65 52.59 38.39 70.33 3 0 11.84 -999 ? O3 GOL C 162 >ALA~C 110 48.38 38.16 73.84 48.68 38.70 75.23 48.53 38.43 74.54 2 0 9.08 -999 ? CL CL C 159 >LEU~C 111 45.09 41.43 72.39 44.62 43.03 73.76 44.85 42.23 73.08 3 0 7.05 -999 ? CL CL C 159 >ASP~C 112 46.80 38.50 68.41 46.55 37.78 66.46 46.68 38.14 67.43 2 0 14.99 -999 ? CL CL C 159 >GLY~C 113 46.08 34.88 70.89 45.48 35.40 71.05 45.78 35.14 70.97 1 0 13.00 -999 ? CL CL C 159 >LEU~C 114 42.85 36.28 74.21 43.75 36.02 76.18 43.30 36.15 75.19 3 0 8.97 -999 ? CL CL C 159 >GLY.C 115 40.85 36.07 69.88 41.10 36.65 70.37 40.98 36.36 70.12 1 0 12.62 -999 ? CL CL C 159 >ARG~C 116 40.42 39.58 74.52 41.12 41.37 76.92 40.77 40.47 75.72 2 0 -4.01 -999 ? CL CL C 159s >GLY~C 117 41.73 41.01 67.25 41.24 41.42 67.74 41.48 41.22 67.50 1 0 12.68 -999 ? CL CL C 159 >ALA~C 118 39.81 44.31 67.36 38.34 44.47 67.72 39.08 44.39 67.54 2 0 12.60 -999 ? CL CL C 159 >GLU~C 119 40.28 45.10 72.15 39.97 44.34 74.05 40.12 44.72 73.10 2 0 6.14 -999 ? CL CL C 159 >ALA~C 120 45.18 43.70 69.04 45.30 42.22 68.67 45.24 42.96 68.86 2 0 11.32 -999 ? CL CL C 159 >MET?C 121 45.26 45.68 65.79 42.73 45.39 62.43 43.99 45.54 64.11 2 0 15.43 -999 ? O2 GOL C 163 >PRO~C 122 43.75 48.76 68.54 45.44 48.51 67.09 44.59 48.63 67.81 3 0 9.07 -999 ? C3 GOL C 163 >GLU~C 123 47.56 47.02 71.82 48.69 48.22 73.14 48.12 47.62 72.48 2 0 -3.62 -999 ? O3 GOL C 163s >PHE~C 124 49.97 43.77 66.05 50.08 41.15 66.95 50.02 42.46 66.50 3 0 12.13 -999 ? C2 GOL C 163 >VAL~C 127 54.50 48.91 68.03 54.87 46.73 68.30 54.69 47.82 68.16 3 0 8.65 -999 ? O2 GOL C 163 >VAL~C 128 55.41 50.19 64.56 54.84 49.58 62.53 55.13 49.88 63.55 3 0 11.85 -999 ? O2 GOL C 163 >GLU~C 129 52.43 54.47 64.89 50.48 55.04 65.54 51.45 54.75 65.21 2 0 8.95 -999 ? O2 GOL C 163 >MET?C 130 57.09 53.51 68.61 55.13 51.75 71.94 56.11 52.63 70.27 2 0 4.97 -999 ? O1 GOL C 163 >ILE~C 131 59.84 50.52 65.89 60.20 49.16 65.70 60.02 49.84 65.80 3 0 11.82 -999 ? C3 GOL C 162 >GLU~C 132 58.68 56.00 62.20 56.84 56.69 61.46 57.76 56.35 61.83 2 0 14.91 -999 ? O2 GOL C 163 >GLU~C 133 58.21 58.74 68.63 56.49 58.74 69.88 57.35 58.74 69.26 2 0 9.78 -999 ? O1 GOL C 163 >ARG~C 134 63.65 52.97 71.15 66.35 51.92 72.31 65.00 52.44 71.73 2 0 13.83 -999 ? C3 GOL C 162 >LYS.C 135 65.92 57.33 68.10 66.46 63.28 68.94 66.19 60.31 68.52 2 0 19.36 -999 ? O1 GOL C 163 >GLY.C 136 68.36 54.48 68.78 67.78 54.28 68.26 68.07 54.38 68.52 1 0 15.51 -999 ? O1 GOL C 162 >GLU.C 137 70.99 49.51 66.97 72.04 50.98 65.82 71.51 50.25 66.40 2 0 12.19 -999 ? O2 GOL B 159 >THR.C 138 65.96 48.55 68.66 63.94 49.36 68.88 64.95 48.95 68.77 2 0 10.38 -999 ? C3 GOL C 162 >PRO.C 139 68.62 45.40 70.16 67.01 45.59 68.60 67.81 45.49 69.38 3 0 7.28 -999 ? O1 GOL C 162 >GLY~C 140 64.46 42.56 66.88 64.49 43.34 66.70 64.48 42.95 66.79 1 0 -3.42 -999 ? C3 GOL C 162s >LYS~C 141 62.63 45.44 65.22 66.55 49.33 63.20 64.59 47.39 64.21 2 0 10.27 -999 ? O1 GOL C 162 >GLU~C 142 64.66 44.17 60.70 66.13 44.51 62.21 65.39 44.34 61.45 2 0 6.25 -999 ? O1 GOL C 162 >ARG~C 143 61.15 37.72 66.09 62.47 35.40 64.56 61.81 36.56 65.32 2 0 -3.95 -999 ? O2 GOL C 162s >MET?C 144 58.20 42.64 65.29 59.30 44.12 69.19 58.75 43.38 67.24 2 0 7.35 -999 ? O3 GOL C 162 >MET?C 145 57.32 44.89 62.38 59.88 48.24 61.63 58.60 46.56 62.00 2 0 11.73 -999 ? C3 GOL C 162 >GLU~C 146 57.24 39.96 58.50 58.64 39.13 57.16 57.94 39.55 57.83 2 0 10.44 -999 ? O2 GOL C 162 >VAL~C 147 54.49 40.19 62.51 54.65 38.90 64.27 54.57 39.54 63.39 3 0 10.85 -999 ? O3 GOL C 162 >ALA~C 148 52.64 43.45 63.10 53.28 44.75 63.60 52.96 44.10 63.35 2 0 13.26 -999 ? O2 GOL C 163 >ILE~C 149 53.12 44.73 58.42 53.05 45.38 57.94 53.08 45.06 58.18 3 0 15.72 -999 ? O3 GOL E 160 >ASP~C 150 52.00 39.33 58.57 53.58 39.47 57.10 52.79 39.40 57.83 2 0 14.30 -999 ? O2 GOL C 162 >ARG~C 151 49.15 37.68 62.90 46.12 36.98 62.56 47.63 37.33 62.73 2 0 18.69 -999 ? CL CL C 159 >ILE~C 152 47.78 45.16 60.71 48.03 46.49 61.16 47.90 45.82 60.93 3 0 14.80 -999 ? O2 GOL C 163 >ALA~C 153 46.45 42.75 57.12 47.53 42.49 56.08 46.99 42.62 56.60 2 0 19.42 -999 ? O3 GOL E 160 >GLN~C 154 46.93 37.58 57.63 48.41 36.23 58.37 47.67 36.90 58.00 2 0 18.32 -999 ? O2 GOL C 162 >LEU~C 155 43.34 41.31 62.19 43.96 40.28 64.00 43.65 40.80 63.09 3 0 16.78 -999 ? CL CL C 159 >GLY~C 156 41.56 43.50 58.61 41.54 42.69 58.44 41.55 43.10 58.53 1 0 19.75 -999 ? O2 GOL C 163 >ALA~C 157 40.35 40.91 56.07 41.18 39.73 55.57 40.76 40.32 55.82 2 0 24.09 -999 ? O2 GOL C 163 >MET?D 1 57.29 10.93 78.14 55.13 14.46 77.25 56.21 12.70 77.70 2 0 21.16 -999 ? O3 GOL C 161 >PRO.D 3 61.05 8.46 79.40 61.58 10.33 80.52 61.31 9.39 79.96 3 0 21.46 -999 ? O3 GOL C 161 >LEU.D 4 61.31 12.67 76.16 61.81 13.13 74.10 61.56 12.90 75.13 3 0 20.33 -999 ? O3 GOL C 161 >LYS.D 5 61.48 15.69 79.58 56.56 17.50 82.33 59.02 16.60 80.96 2 0 16.51 -999 ? O3 GOL C 161 >GLU.D 6 63.62 13.40 83.53 63.18 11.41 84.10 63.40 12.40 83.82 2 0 18.23 -999 ? O3 GOL C 161 >VAL.D 7 66.76 14.69 78.50 67.05 13.36 76.78 66.90 14.03 77.64 3 0 17.05 -999 ? O3 GOL C 161 >VAL.D 8 65.77 18.24 77.54 64.33 19.07 76.16 65.05 18.65 76.85 3 0 13.98 -999 ? O3 GOL C 161 >GLY.D 9 65.85 19.37 81.18 66.45 19.06 80.71 66.15 19.22 80.94 1 0 10.85 -999 ? O3 GOL C 161 >ALA.D 10 69.46 18.23 81.52 69.89 16.79 81.47 69.68 17.51 81.49 2 0 13.05 -999 ? O3 GOL C 161 >TYR.D 11 70.80 18.34 76.06 72.39 16.50 74.71 71.60 17.42 75.38 3 0 15.79 -999 ? CL CL E 159 >LEU.D 12 67.54 23.45 79.13 66.26 23.94 77.43 66.90 23.70 78.28 3 0 9.29 -999 ? O3 GOL C 161 >ALA.D 13 70.62 23.09 82.46 70.43 22.03 83.52 70.52 22.56 82.99 2 0 7.68 -999 ? O3 GOL C 161 >LEU.D 14 74.49 21.16 80.20 76.55 20.46 79.99 75.52 20.81 80.09 3 0 12.41 -999 ? O1 GOL C 161 >SER.D 15 73.56 25.09 78.17 72.62 24.13 76.15 73.09 24.61 77.16 2 0 11.25 -999 ? CL CL E 159 >ASP.D 16 71.44 27.53 81.82 69.58 27.76 80.84 70.51 27.65 81.33 2 0 5.43 -999 ? O3 GOL C 161 >ALA.D 17 75.77 26.72 82.79 76.14 25.33 83.30 75.96 26.03 83.04 2 0 8.02 -999 ? O1 GOL C 161 >GLN.D 18 78.31 24.91 78.67 77.84 23.54 77.12 78.07 24.23 77.90 2 0 11.62 -999 ? O1 GOL D 159 >ARG.D 19 73.71 31.31 76.55 71.10 29.85 77.33 72.41 30.58 76.94 2 0 9.04 -999 ? CL CL E 159 >GLN.D 20 74.88 31.21 83.82 73.63 30.03 85.04 74.26 30.62 84.43 2 0 -3.55 -999 ? C1 GOL C 161s >LEU.D 21 81.32 29.06 82.04 81.80 27.29 83.22 81.56 28.17 82.63 3 0 7.20 -999 ? O1 GOL D 159 >VAL.D 22 81.36 32.80 79.68 81.07 32.77 77.49 81.22 32.79 78.59 3 0 8.14 -999 ? O3 GOL D 159 >ALA.D 23 79.63 35.57 81.68 78.13 35.64 81.86 78.88 35.60 81.77 2 0 9.97 -999 ? O3 GOL A 159 >GLY.D 24 81.70 34.87 84.82 80.92 34.71 84.78 81.31 34.79 84.80 1 0 8.41 -999 ? O3 GOL A 159 >GLU~D 25 76.85 35.25 85.88 74.80 35.37 85.39 75.83 35.31 85.63 2 0 6.95 -999 ? C1 GOL C 161 >TYR~D 26 82.97 31.49 87.76 84.73 32.50 85.85 83.85 31.99 86.80 3 0 8.67 -999 ? C1 GOL D 159 >ASP~D 27 77.75 31.38 92.34 79.21 32.15 93.66 78.48 31.76 93.00 2 0 10.41 -999 ? O1 GOL C 161 >GLU~D 28 73.79 31.98 89.00 74.98 33.29 90.14 74.39 32.64 89.57 2 0 6.14 -999 ? O1 GOL C 161 >ALA~D 29 77.25 27.80 86.57 78.51 28.26 85.85 77.88 28.03 86.21 2 0 7.93 -999 ? O1 GOL C 161 >ALA~D 30 78.38 25.34 89.25 79.16 25.69 90.51 78.77 25.52 89.88 2 0 9.24 -999 ? O1 GOL C 161 >ALA~D 31 74.83 24.93 90.50 73.96 26.04 91.08 74.39 25.49 90.79 2 0 5.29 -999 ? O1 GOL C 161 >ASN~D 32 73.39 25.34 85.85 71.92 26.86 86.15 72.66 26.10 86.00 2 0 -3.15 -999 ? O1 GOL C 161s >CYH~D 33 76.19 21.70 86.19 78.37 22.91 84.96 77.28 22.31 85.57 2 0 10.19 -999 ? O1 GOL C 161 >ARG~D 34 77.13 21.13 92.35 79.56 22.39 93.78 78.34 21.76 93.07 2 0 12.36 -999 ? O1 GOL C 161 >ARG~D 35 68.61 22.70 88.51 68.63 23.92 85.64 68.62 23.31 87.08 2 0 5.04 -999 ? O3 GOL C 161 >ALA~D 36 72.19 18.87 84.97 73.18 19.43 83.97 72.69 19.15 84.47 2 0 10.80 -999 ? O1 GOL C 161 >MET?D 37 73.74 15.66 86.32 78.02 15.46 86.83 75.88 15.56 86.58 2 0 15.47 -999 ? O1 GOL C 161 >ILE~D 39 68.09 16.52 85.34 67.28 17.57 84.86 67.68 17.05 85.10 3 0 11.89 -999 ? O3 GOL C 161 >SER~D 40 70.42 13.04 83.89 72.83 12.92 84.31 71.62 12.98 84.10 2 0 16.78 -999 ? O1 GOL C 161 >HIS~D 41 73.07 10.31 87.28 75.07 10.41 86.64 74.07 10.36 86.96 3 0 19.10 -999 ? O1 GOL C 161 >THR.D 42 66.84 10.24 87.21 66.15 12.21 87.81 66.50 11.23 87.51 2 0 16.90 -999 ? O3 GOL C 161 >MET?D 43 66.27 8.64 83.78 68.23 10.48 80.60 67.25 9.56 82.19 2 0 19.18 -999 ? O3 GOL C 161 >PRO.D 44 63.68 5.55 82.01 65.40 5.68 83.47 64.54 5.62 82.74 3 0 23.75 -999 ? O3 GOL C 161 >PRO.D 45 67.62 1.13 83.90 67.83 3.07 82.75 67.73 2.10 83.32 3 0 26.94 -999 ? O3 GOL C 161 >GLU.D 47 65.81 7.78 77.89 64.08 8.01 76.67 64.95 7.89 77.28 2 0 23.18 -999 ? O3 GOL C 161 >ALA.D 48 69.15 5.88 75.20 69.01 5.68 73.69 69.08 5.78 74.45 2 0 26.12 -999 ? CL CL E 159 >PHE.D 49 71.22 10.51 78.15 72.03 13.05 78.97 71.62 11.78 78.56 3 0 18.99 -999 ? O3 GOL C 161 >ASP~D 50 75.98 9.86 75.48 78.09 9.81 75.67 77.04 9.83 75.57 2 0 20.11 -999 ? O1 GOL D 159 >HIS~D 51 73.71 8.25 81.66 71.62 8.09 81.84 72.66 8.17 81.75 3 0 21.67 -999 ? O3 GOL C 161 >ALA~D 52 79.46 8.91 80.33 80.21 7.76 79.67 79.84 8.33 80.00 2 0 20.18 -999 ? O1 GOL D 159 >GLY~D 53 79.93 11.73 77.84 79.42 11.73 78.48 79.67 11.73 78.16 1 0 17.06 -999 ? O1 GOL D 159 >PHE~D 54 74.97 14.85 79.90 73.46 17.03 80.73 74.22 15.94 80.31 3 0 15.45 -999 ? O3 GOL C 161 >ASP~D 55 78.75 12.34 83.72 76.82 11.68 84.37 77.79 12.01 84.05 2 0 18.74 -999 ? O1 GOL D 159 >ALA~D 56 82.17 14.41 81.51 82.88 13.67 80.39 82.52 14.04 80.95 2 0 13.65 -999 ? O1 GOL D 159 >PHE~D 57 80.14 17.05 77.57 80.62 15.67 75.19 80.38 16.36 76.38 3 0 13.56 -999 ? O1 GOL D 159 >CYH~D 58 79.20 18.62 83.22 76.52 17.83 83.03 77.86 18.23 83.13 2 0 13.59 -999 ? O1 GOL C 161 >HIS~D 59 82.24 15.64 86.47 81.19 14.33 87.73 81.72 14.99 87.10 3 0 14.20 -999 ? O1 GOL D 159 >ALA~D 60 84.50 19.92 82.84 84.64 19.71 81.35 84.57 19.82 82.10 2 0 7.43 -999 ? O1 GOL D 159 >GLY~D 61 82.13 22.88 83.19 82.47 22.40 83.78 82.30 22.64 83.48 1 0 7.26 -999 ? O1 GOL D 159 >LEU~D 62 81.44 21.13 87.66 80.75 21.02 89.73 81.10 21.07 88.69 3 0 11.51 -999 ? O1 GOL D 159 >ALA~D 63 85.72 22.32 87.26 86.63 21.35 86.54 86.18 21.84 86.90 2 0 7.28 -999 ? O1 GOL D 159 >GLU~D 64 85.70 27.32 83.49 85.17 27.68 81.47 85.43 27.50 82.48 2 0 -3.51 -999 ? C1 GOL D 159s >ALA~D 65 83.40 27.23 87.58 81.94 26.77 87.71 82.67 27.00 87.64 2 0 9.05 -999 ? O1 GOL D 159 >LEU~D 66 85.03 24.53 91.27 83.39 23.46 92.22 84.21 23.99 91.74 3 0 11.40 -999 ? O1 GOL D 159 >ALA~D 67 88.45 27.11 89.63 89.16 26.68 88.37 88.81 26.89 89.00 2 0 7.09 -999 ? O1 GOL D 159 >GLY~D 68 86.92 30.55 88.94 86.93 30.11 89.64 86.93 30.33 89.29 1 0 8.53 -999 ? C1 GOL D 159 >LEU~D 69 84.39 29.86 92.99 82.30 30.19 92.49 83.35 30.03 92.74 3 0 12.99 -999 ? C1 GOL D 159 >ARG.D 70 90.87 32.96 94.30 93.78 32.61 93.27 92.33 32.78 93.79 2 0 14.11 -999 ? C1 GOL D 159 >SER~D 71 87.46 26.44 95.38 85.56 25.15 96.18 86.51 25.79 95.78 2 0 15.13 -999 ? O1 GOL D 159 >PHE~D 72 92.11 26.27 93.82 92.52 28.84 92.85 92.32 27.56 93.34 3 0 12.71 -999 ? O1 GOL D 159 >ASP~D 73 89.56 20.97 97.59 91.19 20.91 98.88 90.37 20.94 98.23 2 0 18.52 -999 ? O1 GOL D 159 >GLU~D 74 84.78 21.14 96.43 83.06 22.28 96.96 83.92 21.71 96.70 2 0 16.54 -999 ? O1 GOL C 161 >ALA~D 75 87.71 21.82 91.23 88.42 23.15 90.98 88.07 22.48 91.10 2 0 10.10 -999 ? O1 GOL D 159 >LEU~D 76 91.61 19.09 92.21 93.48 18.04 91.90 92.54 18.56 92.05 3 0 13.78 -999 ? O1 GOL D 159 >HIS~D 77 86.71 15.04 93.47 85.73 13.23 93.88 86.22 14.14 93.68 3 0 17.35 -999 ? O1 GOL D 159 >SER~D 78 85.67 17.51 89.21 84.02 18.89 88.11 84.85 18.20 88.66 2 0 10.82 -999 ? O1 GOL D 159 >ALA~D 79 88.45 17.88 86.62 89.65 18.82 86.71 89.05 18.35 86.67 2 0 9.18 -999 ? O1 GOL D 159 >ASP~D 80 90.26 13.88 88.79 92.10 14.76 89.41 91.18 14.32 89.10 2 0 14.45 -999 ? O1 GOL D 159 >LYS~D 81 86.32 12.87 86.86 82.44 11.68 91.78 84.38 12.27 89.32 2 0 18.80 -999 ? O1 GOL D 159 >ALA~D 82 86.14 14.59 83.45 86.12 16.10 83.19 86.13 15.34 83.32 2 0 10.46 -999 ? O1 GOL D 159 >LEU~D 83 90.96 14.04 83.13 91.85 15.98 82.68 91.41 15.01 82.90 3 0 11.65 -999 ? O1 GOL D 159 >HIS~D 84 88.06 7.97 84.91 88.09 5.89 85.16 88.07 6.93 85.04 3 0 19.57 -999 ? O1 GOL D 159 >TYR~D 85 84.45 10.54 79.23 83.15 10.38 76.79 83.80 10.46 78.01 3 0 16.67 -999 ? O1 GOL D 159 >PHE~D 86 87.70 14.38 78.11 85.50 16.07 77.96 86.60 15.23 78.03 3 0 11.55 -999 ? O1 GOL D 159 >ASN~D 87 92.64 9.83 79.76 93.48 11.70 80.39 93.06 10.77 80.08 2 0 15.36 -999 ? O1 GOL D 159 >GLY~D 90 88.17 11.45 74.18 88.43 10.83 73.74 88.30 11.14 73.96 1 0 16.35 -999 ? O1 GOL D 159 >LEU.D 92 92.33 15.94 70.53 93.65 17.54 71.20 92.99 16.74 70.87 3 0 13.71 -999 ? O2 GOL D 159 >ASN.D 93 90.40 16.57 65.74 92.51 16.79 65.70 91.45 16.68 65.72 2 0 17.07 -999 ? O2 GOL D 159 >GLN.D 94 85.47 14.63 67.47 84.43 14.63 65.64 84.95 14.63 66.56 2 0 18.67 -999 ? O2 GOL D 159 >ASP~D 95 82.51 20.20 69.51 82.02 21.57 67.94 82.26 20.88 68.73 2 0 13.97 -999 ? O2 GOL D 159 >GLU~D 96 84.51 15.15 73.57 84.62 13.08 73.08 84.56 14.11 73.33 2 0 15.74 -999 ? O2 GOL D 159 >GLY~D 97 88.22 18.42 72.47 87.61 18.89 72.69 87.92 18.66 72.58 1 0 10.77 -999 ? O2 GOL D 159 >LYS~D 98 87.55 21.96 73.68 83.72 24.86 70.18 85.63 23.41 71.93 2 0 10.27 -999 ? O2 GOL D 159 >LEU~D 99 84.81 19.86 77.13 82.90 20.90 77.29 83.86 20.38 77.21 3 0 8.40 -999 ? O1 GOL D 159 >TRP~D 100 91.32 16.14 77.65 92.17 13.57 74.81 91.74 14.85 76.23 3 0 12.86 -999 ? O1 GOL D 159 >ILE~D 101 91.78 21.96 75.87 92.56 22.56 74.84 92.17 22.26 75.35 3 0 6.82 -999 ? O2 GOL D 159 >SER~D 102 89.41 22.99 79.53 87.44 23.90 80.54 88.43 23.45 80.04 2 0 -2.55 -999 ? O1 GOL D 159s >ALA~D 103 89.53 20.14 82.04 88.98 18.75 81.80 89.25 19.44 81.92 2 0 7.44 -999 ? O1 GOL D 159 >VAL~D 104 93.33 19.89 81.77 94.73 18.84 80.46 94.03 19.36 81.12 3 0 8.85 -999 ? O1 GOL D 159 >TYR~D 105 93.37 26.13 81.67 93.99 28.77 82.27 93.68 27.45 81.97 3 0 5.09 -999 ? C1 GOL D 159 >SER~D 106 91.28 23.55 85.30 88.96 24.00 84.64 90.12 23.78 84.97 2 0 3.99 -999 ? O1 GOL D 159 >ARG~D 107 94.58 17.04 86.60 96.79 15.62 88.23 95.69 16.33 87.42 2 0 15.15 -999 ? O1 GOL D 159 >ALA~D 108 96.57 22.85 86.31 97.10 23.38 84.99 96.83 23.11 85.65 2 0 9.88 -999 ? O1 GOL D 159 >LEU~D 109 93.68 26.62 87.47 93.60 28.26 86.08 93.64 27.44 86.77 3 0 7.51 -999 ? C1 GOL D 159 >ALA~D 110 93.60 23.73 90.82 92.59 22.60 90.65 93.10 23.16 90.73 2 0 10.83 -999 ? O1 GOL D 159 >LEU~D 111 97.72 21.16 90.53 97.50 19.02 90.27 97.61 20.09 90.40 3 0 14.30 -999 ? O1 GOL D 159 >ASP~D 112 98.73 26.36 90.16 100.22 27.84 90.30 99.48 27.10 90.23 2 0 14.75 -999 ? C1 GOL D 159 >GLY~D 113 96.03 26.93 93.74 96.47 26.26 93.85 96.25 26.60 93.80 1 0 14.60 -999 ? C1 GOL D 159 >LEU~D 114 96.08 22.68 96.06 93.98 22.04 96.25 95.03 22.36 96.15 3 0 16.69 -999 ? O1 GOL D 159 >GLY.D 115 100.41 24.82 96.25 100.09 24.20 95.84 100.25 24.51 96.04 1 0 19.22 -999 ? O1 GOL D 159 >ARG~D 116 98.53 19.32 95.67 96.94 16.86 94.77 97.73 18.09 95.22 2 0 18.45 -999 ? O1 GOL D 159 >GLY~D 117 103.35 23.47 91.61 103.43 22.72 91.82 103.39 23.09 91.72 1 0 18.37 -999 ? O1 GOL D 159 >ALA~D 118 105.55 20.48 90.79 106.25 19.57 91.79 105.90 20.03 91.29 2 0 21.74 -999 ? O1 GOL D 159 >GLU~D 119 101.95 17.02 91.37 100.53 16.38 92.81 101.24 16.70 92.09 2 0 19.37 -999 ? O1 GOL D 159 >ALA~D 120 100.82 21.82 87.99 100.49 23.09 88.77 100.65 22.46 88.38 2 0 14.56 -999 ? O1 GOL D 159 >MET?D 121 103.76 22.62 85.74 107.54 22.69 84.65 105.65 22.66 85.19 2 0 19.78 -999 ? O1 GOL D 159 >PRO~D 122 103.71 18.21 85.46 103.66 19.96 84.07 103.68 19.09 84.77 3 0 17.23 -999 ? O1 GOL D 159 >GLU~D 123 98.49 18.71 84.95 97.81 17.19 83.61 98.15 17.95 84.28 2 0 13.23 -999 ? O1 GOL D 159 >PHE~D 124 100.13 25.45 83.78 98.57 26.64 85.75 99.35 26.05 84.77 3 0 11.38 -999 ? C1 GOL D 159 >VAL~D 127 97.58 22.52 77.76 96.33 23.92 78.94 96.95 23.22 78.35 3 0 9.02 -999 ? O2 GOL D 159 >VAL~D 128 99.94 24.24 75.32 101.55 25.72 75.49 100.74 24.98 75.40 3 0 12.56 -999 ? O2 GOL D 159 >GLU~D 129 102.93 19.97 74.61 103.77 18.50 75.92 103.35 19.23 75.26 2 0 17.48 -999 ? O2 GOL D 159 >MET?D 130 97.12 20.07 73.12 95.31 18.29 76.57 96.21 19.18 74.85 2 0 11.17 -999 ? O2 GOL D 159 >ILE~D 131 96.46 24.86 72.38 95.94 26.09 72.92 96.20 25.47 72.65 3 0 9.73 -999 ? O2 GOL D 159 >GLU~D 132 101.44 23.94 69.64 103.41 23.37 70.15 102.42 23.66 69.89 2 0 17.35 -999 ? O2 GOL D 159 >GLU~D 133 97.98 16.95 68.89 98.05 15.51 70.47 98.01 16.23 69.68 2 0 17.00 -999 ? O2 GOL D 159 >ARG~D 134 91.05 21.30 69.59 88.19 22.29 68.90 89.62 21.79 69.24 2 0 11.03 -999 ? O2 GOL D 159 >GLY.D 136 90.40 23.59 64.68 91.07 23.83 65.09 90.73 23.71 64.89 1 0 14.62 -999 ? O2 GOL D 159 >THR.D 138 89.98 26.72 70.30 91.36 25.28 71.17 90.67 26.00 70.73 2 0 8.23 -999 ? O2 GOL D 159 >PRO.D 139 86.23 28.86 70.99 88.39 29.14 71.52 87.31 29.00 71.26 3 0 7.19 -999 ? O3 GOL D 159 >GLY~D 140 90.15 31.30 74.79 90.53 30.90 74.20 90.34 31.10 74.49 1 0 3.98 -999 ? O3 GOL D 159 >LYS~D 141 93.47 29.73 73.71 94.49 30.16 67.49 93.98 29.94 70.60 2 0 12.18 -999 ? O3 GOL D 159 >GLU~D 142 94.97 34.29 71.87 93.16 33.54 71.07 94.07 33.92 71.47 2 0 9.17 -999 ? O3 GOL D 159 >ARG~D 143 91.02 33.50 79.96 90.01 36.41 79.77 90.52 34.96 79.86 2 0 6.85 -999 ? O3 GOL D 159 >MET?D 144 95.18 29.89 78.63 92.31 26.73 78.06 93.75 28.31 78.35 2 0 -3.57 -999 ? O2 GOL D 159s >MET?D 145 98.56 29.93 76.90 98.80 29.23 72.69 98.68 29.58 74.79 2 0 11.46 -999 ? O3 GOL D 159 >GLU~D 146 99.64 35.66 79.15 99.25 37.60 78.42 99.45 36.63 78.79 2 0 9.31 -999 ? O1 GOL F 161 >VAL~D 147 98.64 31.92 82.03 96.88 31.64 83.30 97.76 31.78 82.66 3 0 9.77 -999 ? C3 GOL D 159 >ALA~D 148 100.43 28.65 81.31 100.08 27.71 80.16 100.25 28.18 80.74 2 0 11.34 -999 ? O2 GOL D 159 >ILE~D 149 103.93 30.98 78.78 104.59 30.86 78.29 104.26 30.92 78.54 3 0 14.66 -999 ? O1 GOL F 161 >ASP~D 150 102.70 34.02 83.26 102.69 35.48 81.70 102.70 34.75 82.48 2 0 13.11 -999 ? O1 GOL F 161 >ARG~D 151 101.15 30.85 87.83 102.96 30.36 90.32 102.06 30.61 89.07 2 0 17.22 -999 ? C1 GOL D 159 >ILE~D 152 105.72 27.25 82.73 105.71 26.20 81.75 105.72 26.72 82.24 3 0 17.11 -999 ? C1 GOL D 159 >ALA~D 153 108.47 30.42 84.15 108.37 31.82 83.58 108.42 31.12 83.87 2 0 18.30 -999 ? O1 GOL F 161 >GLN~D 154 106.68 33.15 87.88 104.78 34.12 87.99 105.73 33.64 87.93 2 0 18.66 -999 ? C3 GOL D 159 >LEU~D 155 106.43 26.32 88.28 104.45 26.25 89.21 105.44 26.29 88.74 3 0 18.46 -999 ? C1 GOL D 159 >GLY~D 156 110.89 26.28 87.05 110.41 26.40 86.48 110.65 26.34 86.77 1 0 23.03 -999 ? C1 GOL D 159 >ALA.D 157 110.80 24.45 83.69 110.73 25.58 82.66 110.76 25.02 83.18 2 0 22.21 -999 ? C1 GOL D 159 >MET?E 1 80.84 33.64 31.91 81.61 37.69 33.17 81.22 35.66 32.54 2 0 16.55 -999 ? CL CL F 159 >PRO.E 3 78.10 29.17 32.22 77.23 30.65 33.70 77.67 29.91 32.96 3 0 20.52 -999 ? O1 GOL E 160 >LEU.E 4 80.87 32.12 36.62 82.52 31.69 37.95 81.70 31.91 37.28 3 0 18.01 -999 ? O2 GOL F 160 >GLU.E 6 73.20 32.15 35.83 73.08 31.05 34.02 73.14 31.60 34.92 2 0 17.52 -999 ? O1 GOL E 160 >VAL.E 7 76.44 30.37 40.60 78.11 28.92 40.53 77.28 29.64 40.57 3 0 15.88 -999 ? O2 GOL E 160 >VAL.E 8 77.29 33.51 42.57 79.03 34.84 42.56 78.16 34.18 42.57 3 0 12.99 -999 ? O2 GOL E 160 >GLY.E 9 73.78 34.93 42.08 74.02 34.22 42.44 73.90 34.58 42.26 1 0 9.85 -999 ? O2 GOL E 160 >ALA.E 10 72.20 31.83 43.58 72.25 30.46 42.95 72.22 31.14 43.27 2 0 11.73 -999 ? O2 GOL E 160 >TYR.E 11 76.63 30.02 46.53 77.39 27.35 46.82 77.01 28.68 46.68 3 0 14.54 -999 ? O2 GOL E 160 >LEU.E 12 74.58 36.56 46.62 76.65 37.31 46.72 75.62 36.93 46.67 3 0 8.32 -999 ? O2 GOL E 160 >ALA.E 13 70.32 34.90 47.18 69.53 34.38 46.00 69.92 34.64 46.59 2 0 6.26 -999 ? O2 GOL E 160 >LEU.E 14 71.12 30.62 49.35 70.46 28.76 50.30 70.79 29.69 49.82 3 0 10.80 -999 ? O2 GOL E 160 >SER.E 15 72.90 33.83 51.99 75.18 33.40 51.33 74.04 33.62 51.66 2 0 10.11 -999 ? O3 GOL F 163 >ASP.E 16 70.04 37.63 50.84 71.57 38.93 50.07 70.81 38.28 50.46 2 0 -4.09 -999 ? O2 GOL E 160s >ALA.E 17 67.61 34.41 52.85 67.16 33.24 51.98 67.39 33.83 52.41 2 0 7.79 -999 ? O2 GOL E 160 >GLN.E 18 70.67 30.72 54.83 72.45 29.80 54.10 71.56 30.26 54.46 2 0 12.56 -999 ? O2 GOL E 160 >ARG.E 19 73.55 38.20 56.89 74.27 38.43 53.89 73.91 38.32 55.39 2 0 8.23 -999 ? O3 GOL F 163 >GLN.E 20 66.52 38.49 54.73 66.00 38.59 52.67 66.26 38.54 53.70 2 0 4.49 -999 ? O3 GOL E 160 >LEU.E 21 65.90 32.50 58.31 64.91 31.13 56.92 65.40 31.81 57.62 3 0 9.70 -999 ? O2 GOL C 162 >VAL.E 22 67.58 34.83 61.66 69.72 34.53 62.20 68.65 34.68 61.93 3 0 -5.65 -999 ? O2 GOL C 162s >ALA.E 23 66.11 38.38 61.63 66.53 39.43 60.62 66.32 38.90 61.12 2 0 -4.82 -999 ? O2 GOL C 162s >GLY.E 24 62.52 37.07 61.38 62.87 37.45 60.77 62.69 37.26 61.08 1 0 4.76 -999 ? O2 GOL C 162 >GLU~E 25 63.47 40.58 58.14 64.93 41.77 57.20 64.20 41.17 57.67 2 0 7.73 -999 ? O3 GOL E 160 >TYR~E 26 59.76 34.17 58.93 60.73 33.34 61.39 60.24 33.75 60.16 3 0 8.29 -999 ? O2 GOL C 162 >ASP~E 27 57.53 38.32 53.79 55.70 38.15 54.88 56.62 38.24 54.34 2 0 11.99 -999 ? O3 GOL E 160 >ALA~E 29 63.43 34.96 53.17 63.51 34.37 54.56 63.47 34.66 53.86 2 0 9.24 -999 ? O3 GOL E 160 >ALA~E 30 60.82 32.85 51.37 59.34 32.83 51.68 60.08 32.84 51.53 2 0 11.24 -999 ? O3 GOL E 160 >ALA~E 31 61.11 35.02 48.27 60.78 36.49 48.23 60.95 35.76 48.25 2 0 7.40 -999 ? O3 GOL E 160 >ASN~E 32 65.89 35.46 49.26 66.16 37.56 48.99 66.03 36.51 49.13 2 0 -3.20 -999 ? O2 GOL E 160s >CYH~E 33 64.89 30.97 48.66 64.98 30.17 51.38 64.93 30.57 50.02 2 0 10.79 -999 ? O2 GOL E 160 >ARG~E 34 58.81 31.17 46.34 56.71 29.90 48.27 57.76 30.54 47.31 2 0 14.09 -999 ? O1 GOL E 161 >ARG~E 35 65.58 36.94 43.44 68.33 37.61 44.72 66.96 37.28 44.08 2 0 -4.31 -999 ? O2 GOL E 160s >ALA~E 36 67.90 31.20 44.60 68.35 30.83 46.00 68.12 31.01 45.30 2 0 9.49 -999 ? O2 GOL E 160 >MET?E 37 66.45 28.03 43.05 64.26 25.27 45.51 65.35 26.65 44.28 2 0 14.38 -999 ? O1 GOL E 161 >ILE~E 39 69.41 32.13 40.14 70.02 33.38 40.39 69.72 32.75 40.27 3 0 10.94 -999 ? O2 GOL E 160 >SER~E 40 70.31 27.76 40.00 69.10 26.35 41.60 69.70 27.06 40.80 2 0 15.25 -999 ? O2 GOL E 160 >HIS~E 41 66.36 24.81 38.90 66.06 23.70 40.65 66.21 24.25 39.78 3 0 18.00 -999 ? O1 GOL E 161 >THR.E 42 68.96 28.51 34.63 68.59 30.53 35.36 68.77 29.52 35.00 2 0 16.04 -999 ? O2 GOL E 160 >MET?E 43 72.49 27.06 34.41 74.43 26.66 38.11 73.46 26.86 36.26 2 0 17.96 -999 ? O2 GOL E 160 >PRO.E 44 75.36 26.12 31.28 73.40 25.33 32.02 74.38 25.73 31.65 3 0 22.82 -999 ? O2 GOL E 160 >PRO.E 45 72.80 20.62 30.32 73.46 21.69 32.18 73.13 21.15 31.25 3 0 25.92 -999 ? O2 GOL E 160 >GLU.E 46 77.48 19.49 29.51 78.55 19.19 27.70 78.01 19.34 28.60 2 0 31.11 -999 ? O2 GOL E 160 >GLU.E 47 78.27 25.70 35.60 80.23 26.41 35.18 79.25 26.06 35.39 2 0 22.47 -999 ? O2 GOL E 160 >ALA.E 48 79.50 21.69 37.69 80.95 21.45 38.07 80.23 21.57 37.88 2 0 23.29 -999 ? C3 GOL F 160 >PHE.E 49 75.44 24.35 40.99 74.09 25.91 42.87 74.76 25.13 41.93 3 0 17.53 -999 ? O2 GOL E 160 >ASP~E 50 76.14 20.21 44.69 75.21 18.68 45.87 75.67 19.44 45.28 2 0 21.56 -999 ? O1 GOL E 161 >HIS~E 51 71.58 21.72 39.95 72.25 22.99 38.43 71.92 22.36 39.19 3 0 20.24 -999 ? O2 GOL E 160 >ALA~E 52 70.48 18.24 44.63 70.92 16.79 44.63 70.70 17.51 44.63 2 0 17.66 -999 ? O1 GOL E 161 >GLY~E 53 72.23 19.64 47.72 71.84 20.06 47.13 72.04 19.85 47.42 1 0 18.46 -999 ? O1 GOL E 161 >PHE~E 54 71.84 25.50 45.65 71.33 28.23 45.78 71.58 26.86 45.72 3 0 13.87 -999 ? O2 GOL E 160 >ASP~E 55 67.25 21.80 45.20 67.38 22.58 43.23 67.31 22.19 44.22 2 0 16.31 -999 ? O1 GOL E 161 >ALA~E 56 67.71 20.87 49.61 68.51 19.64 49.99 68.11 20.25 49.80 2 0 14.60 -999 ? O1 GOL E 161 >PHE~E 57 71.83 23.58 51.60 74.06 22.05 52.32 72.95 22.81 51.96 3 0 18.27 -999 ? O2 GOL E 160 >CYH~E 58 66.81 26.19 49.74 68.12 27.23 47.50 67.46 26.71 48.62 2 0 12.83 -999 ? O2 GOL E 160 >HIS~E 59 63.04 22.55 48.65 62.48 22.38 46.64 62.76 22.46 47.65 3 0 10.91 -999 ? O1 GOL E 161 >ALA~E 60 64.93 23.76 54.26 66.28 23.27 54.77 65.61 23.51 54.52 2 0 14.47 -999 ? O1 GOL E 161 >GLY~E 61 65.21 27.56 54.47 64.59 27.09 54.16 64.90 27.32 54.31 1 0 14.22 -999 ? O2 GOL E 160 >LEU~E 62 61.60 27.44 51.22 59.97 28.13 49.95 60.79 27.79 50.59 3 0 13.25 -999 ? O1 GOL E 161 >ALA~E 63 60.15 25.55 55.01 60.53 24.11 55.23 60.34 24.83 55.12 2 0 11.03 -999 ? O1 GOL E 161 >GLU~E 64 63.02 28.53 59.73 65.03 28.97 60.19 64.02 28.75 59.96 2 0 9.59 -999 ? CL CL E 159 >ALA~E 65 60.21 30.77 56.55 60.70 31.36 55.25 60.45 31.07 55.90 2 0 12.76 -999 ? O2 GOL C 162 >LEU~E 66 56.53 28.30 54.58 56.37 28.65 52.44 56.45 28.48 53.51 3 0 12.76 -999 ? O1 GOL E 161 >ALA~E 67 56.39 27.81 59.09 57.31 26.81 59.71 56.85 27.31 59.40 2 0 14.24 -999 ? O1 GOL E 161 >GLY~E 68 57.19 31.25 60.58 56.61 31.04 60.03 56.90 31.15 60.30 1 0 11.53 -999 ? O2 GOL C 162 >LEU~E 69 54.57 33.05 56.94 55.80 34.59 56.02 55.18 33.82 56.48 3 0 13.97 -999 ? O2 GOL C 162 >ARG.E 70 50.90 31.68 62.87 50.34 29.20 64.65 50.62 30.44 63.76 2 0 17.26 -999 ? O3 GOL C 162 >SER~E 71 51.59 28.95 55.90 51.81 29.19 53.48 51.70 29.07 54.69 2 0 13.29 -999 ? C1 GOL E 161 >PHE~E 72 51.19 25.59 59.47 51.61 27.10 61.77 51.40 26.35 60.62 3 0 13.85 -999 ? O3 GOL E 161 >ASP~E 73 49.26 23.78 53.10 48.75 22.21 51.76 49.00 22.99 52.43 2 0 7.37 -999 ? C1 GOL E 161 >GLU~E 74 52.28 26.86 50.30 52.67 28.68 49.31 52.47 27.77 49.81 2 0 12.57 -999 ? C1 GOL E 161 >ALA~E 75 55.83 24.58 54.58 55.63 25.08 56.01 55.73 24.83 55.29 2 0 10.43 -999 ? O1 GOL E 161 >LEU~E 76 53.74 20.23 55.09 53.43 18.20 55.82 53.59 19.22 55.46 3 0 4.99 -999 ? C3 GOL E 161 >HIS~E 77 53.55 20.44 49.78 51.70 19.50 49.47 52.62 19.97 49.63 3 0 -3.96 -999 ? C1 GOL E 161s >SER~E 78 58.96 22.31 51.13 60.44 24.21 51.07 59.70 23.26 51.10 2 0 10.06 -999 ? O1 GOL E 161 >ALA~E 79 60.22 20.38 54.17 59.57 20.36 55.55 59.90 20.37 54.86 2 0 8.28 -999 ? O1 GOL E 161 >ASP~E 80 58.02 16.56 52.04 56.73 16.11 53.64 57.38 16.33 52.84 2 0 -3.73 -999 ? C3 GOL E 161s >ALA~E 82 64.38 18.79 51.67 64.43 19.88 52.72 64.41 19.33 52.19 2 0 10.94 -999 ? O1 GOL E 161 >LEU~E 83 62.88 15.26 54.65 62.67 16.07 56.68 62.77 15.66 55.67 3 0 9.83 -999 ? O1 GOL E 161 >HIS~E 84 63.18 12.78 48.12 63.31 11.23 46.71 63.24 12.01 47.41 3 0 10.38 -999 ? O1 GOL E 161 >TYR~E 85 69.40 16.09 49.43 72.15 16.44 49.31 70.78 16.27 49.37 3 0 16.50 -999 ? O1 GOL E 161 >PHE~E 86 68.70 16.74 54.51 69.52 19.37 54.23 69.11 18.05 54.37 3 0 15.35 -999 ? O1 GOL E 161 >ASN~E 87 65.81 10.42 54.11 64.53 11.31 55.56 65.17 10.87 54.83 2 0 12.10 -999 ? C3 GOL E 161 >GLY~E 90 72.46 13.56 54.35 72.82 12.85 54.29 72.64 13.20 54.32 1 0 18.69 -999 ? O1 GOL E 161 >GLU.E 91 77.15 13.01 55.17 79.04 13.51 54.30 78.10 13.26 54.74 2 0 24.99 -999 ? O3 GOL F 163 >LEU.E 92 73.66 13.65 61.41 72.28 14.25 63.00 72.97 13.95 62.21 3 0 19.46 -999 ? CL CL E 159 >ASN.E 93 78.67 14.51 62.32 77.83 13.42 63.94 78.25 13.96 63.13 2 0 21.25 -999 ? CL CL E 159 >GLN.E 94 79.32 16.43 57.13 81.40 16.79 56.91 80.36 16.61 57.02 2 0 21.38 -999 ? O3 GOL F 163 >ASP~E 95 77.99 22.90 58.06 79.62 23.69 59.22 78.81 23.30 58.64 2 0 14.73 -999 ? O3 GOL F 163 >GLU~E 96 74.02 18.40 54.67 74.82 16.78 53.57 74.42 17.59 54.12 2 0 20.70 -999 ? O1 GOL E 161 >GLY~E 97 73.16 18.47 59.52 73.15 19.24 59.35 73.15 18.85 59.44 1 0 16.98 -999 ? CL CL E 159 >LYS~E 98 71.93 21.77 60.96 76.40 25.68 61.34 74.17 23.73 61.15 2 0 12.99 -999 ? CL CL E 159 >LEU~E 99 70.11 22.49 56.51 70.59 24.48 55.76 70.35 23.48 56.14 3 0 15.40 -999 ? CL CL E 159 >TRP~E 100 67.49 15.69 58.10 70.00 12.69 58.10 68.75 14.19 58.10 3 0 16.32 -999 ? C3 GOL E 161 >ILE~E 101 68.31 19.44 63.01 68.88 19.15 64.30 68.60 19.30 63.65 3 0 13.27 -999 ? CL CL E 159 >SER~E 102 65.74 22.38 60.72 65.52 24.52 59.60 65.63 23.45 60.15 2 0 11.91 -999 ? CL CL E 159 >ALA~E 103 63.70 20.58 58.04 64.28 19.85 56.84 63.99 20.22 57.44 2 0 12.26 -999 ? O1 GOL E 161 >VAL~E 104 62.52 17.93 60.52 63.38 16.07 61.33 62.95 17.00 60.93 3 0 12.70 -999 ? C3 GOL E 161 >TYR~E 105 62.02 22.64 64.59 61.01 24.43 66.46 61.52 23.54 65.53 3 0 10.57 -999 ? CL CL E 159 >SER~E 106 59.69 22.61 60.25 61.23 24.17 59.22 60.46 23.39 59.74 2 0 13.57 -999 ? O1 GOL E 161 >ARG~E 107 58.05 15.96 57.64 56.00 13.65 57.79 57.03 14.81 57.71 2 0 5.16 -999 ? O3 GOL E 161 >ALA~E 108 56.77 18.89 62.94 57.71 18.70 64.12 57.24 18.80 63.53 2 0 12.21 -999 ? O3 GOL E 161 >LEU~E 109 56.42 23.76 63.03 57.64 24.78 64.50 57.03 24.27 63.77 3 0 13.85 -999 ? CL CL E 159 >ALA~E 110 53.69 22.19 59.89 54.34 21.91 58.54 54.01 22.05 59.22 2 0 9.02 -999 ? C3 GOL E 161 >LEU~E 111 52.68 17.61 61.15 53.30 16.01 59.81 52.99 16.81 60.48 3 0 6.98 -999 ? O3 GOL E 161 >ASP~E 112 52.07 20.87 65.18 51.30 21.17 67.13 51.68 21.02 66.16 2 0 14.90 -999 ? O3 GOL E 161 >GLY~E 113 49.71 23.59 62.53 49.52 22.82 62.34 49.61 23.20 62.43 1 0 12.97 -999 ? O3 GOL E 161 >LEU~E 114 48.13 20.69 59.00 48.87 21.43 57.08 48.50 21.06 58.04 3 0 8.77 -999 ? O2 GOL E 161 >GLY.E 115 45.97 19.65 63.13 46.55 19.31 62.68 46.26 19.48 62.90 1 0 12.49 -999 ? O3 GOL E 161 >ARG~E 116 47.96 16.44 58.54 49.79 15.40 56.28 48.88 15.92 57.41 2 0 -3.76 -999 ? O3 GOL E 161s >GLY~E 117 49.17 15.97 65.96 49.05 15.38 65.45 49.11 15.67 65.70 1 0 12.55 -999 ? O3 GOL E 161 >ALA~E 118 49.44 12.18 65.78 48.36 11.23 65.31 48.90 11.70 65.54 2 0 12.42 -999 ? O3 GOL E 161 >GLU~E 119 50.68 11.94 61.05 50.21 12.39 59.06 50.44 12.17 60.06 2 0 5.87 -999 ? O3 GOL E 161 >ALA~E 120 53.71 15.70 64.54 52.98 16.99 64.87 53.34 16.34 64.71 2 0 11.23 -999 ? O3 GOL E 161 >MET?E 121 54.51 14.04 67.86 52.03 12.85 71.02 53.27 13.45 69.44 2 0 17.08 -999 ? O3 GOL E 161 >PRO~E 122 55.21 10.60 65.18 56.37 11.79 66.69 55.79 11.19 65.94 3 0 12.74 -999 ? O3 GOL E 161 >GLU~E 123 57.76 14.24 62.13 59.54 13.77 61.09 58.65 14.01 61.61 2 0 9.97 -999 ? O3 GOL E 161 >PHE~E 124 57.43 18.19 67.93 56.13 20.46 66.95 56.78 19.33 67.44 3 0 14.99 -999 ? O3 GOL E 161 >VAL~E 127 64.23 16.52 66.52 63.43 18.57 66.21 63.83 17.54 66.36 3 0 14.60 -999 ? CL CL E 159 >VAL~E 128 65.36 15.88 70.09 64.37 16.01 72.05 64.87 15.94 71.07 3 0 15.79 -999 ? CL CL E 159 >GLU~E 129 65.28 10.74 69.74 63.85 9.32 69.04 64.56 10.03 69.39 2 0 19.45 -999 ? O3 GOL E 161 >MET?E 130 68.95 14.14 66.32 66.68 14.48 62.79 67.81 14.31 64.55 2 0 16.62 -999 ? C3 GOL E 161 >ILE~E 131 69.33 18.02 69.26 68.88 19.36 69.54 69.11 18.69 69.40 3 0 12.75 -999 ? CL CL E 159 >GLU~E 132 69.75 13.71 72.76 68.81 12.01 73.60 69.28 12.86 73.18 2 0 19.89 -999 ? CL CL E 159 >GLU~E 133 71.61 10.32 67.40 70.52 9.57 65.71 71.07 9.95 66.56 2 0 21.96 -999 ? O3 GOL E 161 >ARG~E 134 74.18 18.44 64.48 76.38 20.01 62.97 75.28 19.22 63.72 2 0 15.57 -999 ? CL CL E 159 >GLY.E 136 78.84 19.60 67.16 78.20 19.43 67.63 78.52 19.51 67.40 1 0 16.34 -999 ? CL CL E 159 >THR.E 138 73.54 23.20 66.90 72.43 21.39 66.54 72.99 22.30 66.72 2 0 11.34 -999 ? CL CL E 159 >PRO.E 139 74.20 27.34 65.64 72.77 26.24 66.99 73.48 26.79 66.32 3 0 7.91 -999 ? CL CL E 159 >GLY~E 140 68.85 27.29 68.37 69.29 26.65 68.58 69.07 26.97 68.48 1 0 4.30 -999 ? CL CL E 159 >LYS~E 141 68.72 23.80 69.92 73.98 21.95 72.94 71.35 22.88 71.43 2 0 11.96 -999 ? CL CL E 159 >GLU~E 142 69.38 25.79 74.56 70.98 26.40 73.27 70.18 26.10 73.91 2 0 7.27 -999 ? CL CL E 159 >ARG~E 143 63.61 29.61 68.79 63.42 32.28 70.34 63.51 30.94 69.56 2 0 -4.51 -999 ? CL CL E 159s >MET?E 144 63.58 23.71 69.40 65.70 23.11 65.65 64.64 23.41 67.52 2 0 9.15 -999 ? CL CL E 159 >MET?E 145 63.81 21.29 72.30 67.69 19.83 73.39 65.75 20.56 72.85 2 0 12.30 -999 ? CL CL E 159 >GLU~E 146 60.64 25.29 75.92 61.18 26.57 77.48 60.91 25.93 76.70 2 0 11.05 -999 ? O3 GOL C 161 >VAL~E 147 58.89 23.66 71.74 58.58 24.93 69.96 58.73 24.29 70.85 3 0 11.52 -999 ? CL CL E 159 >ALA~E 148 59.19 19.91 71.09 60.47 19.18 70.72 59.83 19.54 70.90 2 0 14.24 -999 ? CL CL E 159 >ILE~E 149 59.72 19.14 75.82 60.23 18.69 77.00 59.98 18.91 76.41 3 0 15.92 -999 ? O3 GOL C 161 >ASP~E 150 55.85 22.93 75.04 56.96 24.06 76.47 56.40 23.50 75.76 2 0 14.91 -999 ? CL CL E 159 >ARG~E 151 53.43 22.94 70.68 50.38 22.28 70.33 51.91 22.61 70.51 2 0 18.33 -999 ? O3 GOL E 161 >ILE~E 152 55.83 15.74 73.11 56.80 14.81 72.71 56.31 15.27 72.91 3 0 19.31 -999 ? O3 GOL E 161 >ALA~E 153 52.84 17.46 76.26 53.48 18.38 77.31 53.16 17.92 76.79 2 0 19.85 -999 ? O3 GOL C 161 >GLN~E 154 50.19 22.20 75.16 52.21 22.96 75.30 51.20 22.58 75.23 2 0 18.65 -999 ? CL CL E 159 >LEU~E 155 50.08 16.80 70.87 50.28 17.98 69.03 50.18 17.39 69.95 3 0 16.43 -999 ? O3 GOL E 161 >GLY~E 156 49.56 14.22 74.59 49.07 14.85 74.68 49.31 14.54 74.63 1 0 20.80 -999 ? O3 GOL E 161 >ALA~E 157 46.69 15.60 76.71 47.15 15.73 78.15 46.92 15.66 77.43 2 0 24.79 -999 ? O3 GOL E 161 >MET?F 1 112.56 26.38 78.50 109.96 28.70 80.97 111.26 27.54 79.74 2 0 19.60 -999 ? O1 GOL F 161 >PRO.F 3 113.18 25.28 74.06 112.15 27.23 73.58 112.67 26.26 73.82 3 0 20.64 -999 ? O2 GOL F 161 >GLU.F 6 111.24 31.38 71.51 113.11 30.44 71.15 112.17 30.91 71.33 2 0 17.26 -999 ? O2 GOL F 161 >VAL.F 7 105.85 28.70 70.77 105.49 26.52 70.84 105.67 27.61 70.81 3 0 15.80 -999 ? O2 GOL F 161 >VAL.F 8 103.38 30.79 72.78 102.56 30.63 74.81 102.97 30.71 73.79 3 0 12.95 -999 ? O1 GOL F 161 >GLY.F 9 105.00 34.04 71.64 104.65 33.44 71.20 104.83 33.74 71.42 1 0 9.81 -999 ? O2 GOL F 161 >ALA.F 10 104.50 33.13 67.99 105.23 32.01 67.28 104.87 32.57 67.64 2 0 11.50 -999 ? O2 GOL F 161 >TYR.F 11 100.28 29.39 68.71 99.86 26.96 67.38 100.07 28.17 68.05 3 0 14.50 -999 ? O2 GOL F 161 >LEU.F 12 100.43 35.54 71.68 99.64 34.84 73.59 100.04 35.19 72.64 3 0 8.27 -999 ? O1 GOL F 161 >ALA.F 13 101.56 37.23 67.61 103.00 37.16 67.17 102.28 37.19 67.39 2 0 6.04 -999 ? O2 GOL F 161 >LEU.F 14 99.72 33.99 64.50 99.22 33.21 62.51 99.47 33.60 63.51 3 0 10.63 -999 ? O2 GOL F 161 >SER.F 15 96.31 35.63 66.96 95.87 33.76 68.46 96.09 34.69 67.71 2 0 10.28 -999 ? O2 GOL F 161 >ASP.F 16 97.99 40.07 68.02 98.06 39.77 70.14 98.03 39.92 69.08 2 0 -4.33 -999 ? O2 GOL F 161s >ALA.F 17 97.42 39.71 63.60 98.52 39.01 62.83 97.97 39.36 63.22 2 0 7.51 -999 ? O2 GOL F 161 >GLN.F 18 94.85 35.30 62.43 94.86 33.31 63.22 94.86 34.30 62.82 2 0 11.78 -999 ? O3 GOL F 160 >ARG.F 19 91.31 39.82 68.79 93.88 39.07 70.35 92.60 39.44 69.57 2 0 8.16 -999 ? O2 GOL F 161 >GLN.F 20 95.64 43.92 64.91 97.72 44.01 65.38 96.68 43.96 65.15 2 0 -4.16 -999 ? O3 GOL F 161s >LEU.F 21 93.19 40.43 59.33 94.97 39.85 58.22 94.08 40.14 58.77 3 0 7.43 -999 ? C1 GOL F 160 >VAL.F 22 89.23 41.63 60.88 87.97 40.14 61.96 88.60 40.88 61.42 3 0 6.98 -999 ? O1 GOL F 163 >ALA.F 23 89.44 45.18 62.31 90.09 45.50 63.64 89.77 45.34 62.97 2 0 10.01 -999 ? O3 GOL B 159 >GLY.F 24 91.13 46.58 59.17 91.53 46.50 59.87 91.33 46.54 59.52 1 0 8.24 -999 ? O3 GOL B 159 >GLU~F 25 93.55 48.05 63.35 94.07 48.06 65.43 93.81 48.06 64.39 2 0 6.98 -999 ? O3 GOL F 161 >TYR~F 26 94.70 45.91 56.27 92.09 45.19 55.59 93.40 45.55 55.93 3 0 7.55 -999 ? O1 GOL F 160 >ASP~F 27 99.88 49.37 59.30 99.64 50.61 57.59 99.76 49.99 58.44 2 0 11.40 -999 ? O3 GOL F 161 >GLU~F 28 98.99 48.01 64.26 98.21 49.57 63.05 98.60 48.79 63.65 2 0 6.42 -999 ? O3 GOL F 161 >ALA~F 29 98.60 42.91 61.12 97.33 42.67 60.30 97.96 42.79 60.71 2 0 8.89 -999 ? O3 GOL F 161 >ALA~F 30 101.45 42.79 58.60 101.70 43.83 57.53 101.57 43.31 58.06 2 0 9.34 -999 ? O2 GOL F 162 >ALA~F 31 103.99 43.60 61.31 104.05 44.89 62.11 104.02 44.24 61.71 2 0 6.74 -999 ? C3 GOL F 161 >ASN~F 32 101.29 40.95 64.43 101.25 42.40 65.97 101.27 41.67 65.20 2 0 -2.95 -999 ? O2 GOL F 161s >CYH~F 33 102.67 38.25 60.92 100.31 38.16 59.60 101.49 38.20 60.26 2 0 9.49 -999 ? O2 GOL F 162 >ARG~F 34 107.17 41.80 57.73 105.75 43.25 55.36 106.46 42.52 56.54 2 0 5.93 -999 ? O2 GOL F 162 >ARG~F 35 106.43 41.16 67.15 104.13 40.11 68.91 105.28 40.64 68.03 2 0 3.94 -999 ? O2 GOL F 161 >ALA~F 36 105.25 35.69 64.43 103.83 35.37 64.02 104.54 35.53 64.22 2 0 9.16 -999 ? O2 GOL F 161 >MET?F 37 107.56 34.04 61.87 106.46 33.86 57.72 107.01 33.95 59.80 2 0 4.80 -999 ? O3 GOL F 162 >ILE~F 39 108.66 34.54 67.56 108.03 35.10 68.71 108.35 34.82 68.13 3 0 10.68 -999 ? O2 GOL F 161 >SER~F 40 108.97 30.76 65.24 108.24 30.80 62.92 108.60 30.78 64.08 2 0 9.69 -999 ? O3 GOL F 162 >HIS~F 41 111.81 30.83 61.02 110.48 30.34 59.48 111.15 30.58 60.25 3 0 7.53 -999 ? O3 GOL F 162 >THR.F 42 114.33 31.24 66.71 113.59 33.12 67.49 113.96 32.18 67.10 2 0 14.06 -999 ? O3 GOL F 162 >MET?F 43 113.39 27.79 68.09 109.35 26.74 67.63 111.37 27.26 67.86 2 0 15.65 -999 ? O3 GOL F 162 >PRO.F 44 115.27 24.59 70.40 115.44 25.49 68.35 115.36 25.04 69.38 3 0 18.94 -999 ? O3 GOL F 162 >PRO.F 45 117.71 22.20 65.23 115.64 22.86 65.83 116.67 22.53 65.53 3 0 18.11 -999 ? O3 GOL F 162 >GLU.F 47 110.46 22.06 71.39 109.68 23.67 72.48 110.07 22.87 71.94 2 0 21.10 -999 ? O2 GOL F 161 >ALA.F 48 108.36 19.78 67.88 107.56 18.65 68.50 107.96 19.22 68.19 2 0 21.59 -999 ? O3 GOL F 162 >PHE.F 49 106.45 24.99 65.95 104.95 27.28 65.49 105.70 26.13 65.72 3 0 14.88 -999 ? O3 GOL F 162 >ASP~F 50 103.33 22.24 62.27 102.87 21.93 60.21 103.10 22.09 61.24 2 0 15.57 -999 ? O3 GOL F 162 >HIS~F 51 109.23 25.49 61.95 110.27 25.73 63.75 109.75 25.61 62.85 3 0 12.55 -999 ? O3 GOL F 162 >ALA~F 52 105.66 24.57 57.31 105.65 23.22 56.63 105.65 23.89 56.97 2 0 12.30 -999 ? O3 GOL F 162 >GLY~F 53 102.03 24.96 58.36 102.67 25.42 58.60 102.35 25.19 58.48 1 0 12.94 -999 ? O3 GOL F 162 >PHE~F 54 103.38 29.09 62.81 103.14 31.42 64.31 103.26 30.26 63.56 3 0 12.15 -999 ? O3 GOL F 162 >ASP~F 55 105.97 29.41 57.41 107.66 29.48 58.71 106.81 29.44 58.06 2 0 7.15 -999 ? O3 GOL F 162 >ALA~F 56 101.83 29.19 55.59 101.30 27.84 55.17 101.56 28.52 55.38 2 0 10.71 -999 ? O3 GOL F 162 >PHE~F 57 98.17 28.78 59.43 96.78 26.35 59.61 97.47 27.57 59.52 3 0 13.46 -999 ? O3 GOL F 160 >CYH~F 58 101.48 33.68 58.59 102.95 33.25 61.01 102.22 33.47 59.80 2 0 9.63 -999 ? O3 GOL F 162 >HIS~F 59 104.25 33.30 54.04 106.33 33.11 54.29 105.29 33.20 54.17 3 0 -4.46 -999 ? O3 GOL F 162s >ALA~F 60 98.26 33.97 54.13 97.33 32.83 54.50 97.80 33.40 54.31 2 0 8.34 -999 ? O3 GOL F 160 >GLY~F 61 97.56 36.59 56.81 98.12 36.60 56.20 97.84 36.59 56.51 1 0 8.34 -999 ? O3 GOL F 160 >LEU~F 62 101.88 38.40 55.56 103.53 39.82 55.42 102.71 39.11 55.49 3 0 5.79 -999 ? O2 GOL F 162 >ALA~F 63 99.12 38.58 51.99 98.93 37.31 51.19 99.03 37.95 51.59 2 0 7.96 -999 ? O1 GOL F 162 >GLU~F 64 93.43 39.76 54.33 92.09 38.81 55.67 92.76 39.29 55.00 2 0 -3.87 -999 ? O3 GOL F 160s >ALA~F 65 97.14 42.62 55.03 98.09 42.51 56.23 97.61 42.56 55.63 2 0 10.01 -999 ? C1 GOL F 160 >LEU~F 66 100.61 42.93 51.65 102.59 42.97 52.57 101.60 42.95 52.11 3 0 7.91 -999 ? O1 GOL F 162 >ALA~F 67 96.51 43.45 49.68 95.64 42.23 49.44 96.07 42.84 49.56 2 0 7.69 -999 ? O1 GOL F 160 >GLY~F 68 94.48 45.68 52.02 95.22 45.82 51.68 94.85 45.75 51.85 1 0 7.64 -999 ? O1 GOL F 160 >LEU~F 69 98.60 48.08 52.76 98.85 48.32 54.89 98.72 48.20 53.82 3 0 12.56 -999 ? O1 GOL F 160 >ARG.F 70 94.62 50.54 47.31 93.26 49.33 44.79 93.94 49.93 46.05 2 0 4.15 -999 ? CL CL F 159 >SER~F 71 101.11 46.87 48.40 103.23 46.64 49.59 102.17 46.76 48.99 2 0 10.53 -999 ? O1 GOL F 162 >PHE~F 72 98.34 45.34 44.63 95.87 46.59 45.07 97.10 45.97 44.85 3 0 6.23 -999 ? CL CL F 159 >ASP~F 73 105.13 44.12 44.32 106.52 43.12 43.06 105.82 43.62 43.69 2 0 10.79 -999 ? O1 GOL F 162 >GLU~F 74 106.22 44.02 49.38 106.44 45.35 51.04 106.33 44.68 50.21 2 0 8.35 -999 ? O2 GOL F 162 >ALA~F 75 101.26 40.67 48.69 99.96 41.42 48.45 100.61 41.04 48.57 2 0 8.88 -999 ? O1 GOL F 162 >LEU~F 76 102.05 39.01 44.20 101.71 37.88 42.37 101.88 38.45 43.29 3 0 10.10 -999 ? O1 GOL F 162 >HIS~F 77 106.97 38.14 45.82 107.95 38.38 43.98 107.46 38.26 44.90 3 0 7.20 -999 ? O1 GOL F 162 >SER~F 78 103.51 36.33 50.35 102.66 36.78 52.57 103.09 36.56 51.46 2 0 4.24 -999 ? O1 GOL F 162 >ALA~F 79 100.44 34.62 48.83 99.40 35.27 47.93 99.92 34.94 48.38 2 0 8.66 -999 ? O1 GOL F 162 >ASP~F 80 103.62 32.92 45.49 102.63 33.71 43.78 103.13 33.31 44.63 2 0 9.80 -999 ? O1 GOL F 162 >ALA~F 82 101.40 30.27 51.33 100.30 31.23 51.77 100.85 30.75 51.55 2 0 8.77 -999 ? O1 GOL F 162 >LEU~F 83 99.58 29.25 46.95 97.65 30.27 46.78 98.62 29.76 46.86 3 0 12.12 -999 ? O1 GOL F 162 >HIS~F 84 105.78 26.09 47.69 107.24 24.67 47.16 106.51 25.38 47.43 3 0 11.79 -999 ? O3 GOL F 162 >TYR~F 85 101.88 24.62 53.53 100.85 23.02 55.55 101.36 23.82 54.54 3 0 13.54 -999 ? O3 GOL F 162 >PHE~F 86 97.40 26.42 51.79 97.05 27.73 54.23 97.22 27.08 53.01 3 0 12.01 -999 ? O3 GOL F 160 >ASN~F 87 99.44 23.71 45.74 98.52 25.57 45.21 98.98 24.64 45.47 2 0 15.71 -999 ? O1 GOL F 162 >ARG~F 88 103.56 18.48 47.62 106.14 16.73 47.62 104.85 17.61 47.62 2 0 19.32 -999 ? O3 GOL F 162 >ARG~F 89 102.36 17.76 53.00 104.62 16.40 51.32 103.49 17.08 52.16 2 0 19.07 -999 ? O3 GOL F 162 >GLY~F 90 96.49 21.60 52.08 96.50 20.82 51.87 96.49 21.21 51.98 1 0 16.49 -999 ? O3 GOL F 160 >GLU.F 91 94.15 18.32 54.60 94.40 17.41 56.51 94.28 17.86 55.55 2 0 20.15 -999 ? O3 GOL F 160 >LEU.F 92 89.59 22.16 50.55 88.63 23.75 49.44 89.11 22.96 49.99 3 0 14.19 -999 ? O3 GOL F 160 >ASN.F 93 86.78 19.56 54.04 85.80 19.52 52.13 86.29 19.54 53.09 2 0 17.79 -999 ? C3 GOL F 160 >GLN.F 94 91.05 19.61 57.51 90.14 18.32 58.92 90.59 18.96 58.22 2 0 19.39 -999 ? O3 GOL F 160 >ASP~F 95 90.04 25.26 60.80 88.72 26.65 61.72 89.38 25.96 61.26 2 0 13.21 -999 ? C3 GOL F 160 >GLU~F 96 95.04 24.11 56.26 96.02 22.23 56.34 95.53 23.17 56.30 2 0 16.05 -999 ? O3 GOL F 160 >GLY~F 97 90.92 25.63 54.13 91.00 26.17 54.70 90.96 25.90 54.42 1 0 11.24 -999 ? O3 GOL F 160 >LYS~F 98 89.69 29.11 55.05 86.89 29.31 60.35 88.29 29.21 57.70 2 0 10.47 -999 ? C3 GOL F 160 >LEU~F 99 94.37 30.08 55.91 94.55 31.06 57.84 94.46 30.57 56.88 3 0 8.50 -999 ? O3 GOL F 160 >TRP~F 100 94.59 27.11 49.01 94.11 23.25 48.73 94.35 25.18 48.87 3 0 13.02 -999 ? O3 GOL F 160 >ILE~F 101 89.41 30.17 50.44 88.03 29.83 50.18 88.72 30.00 50.31 3 0 7.44 -999 ? O3 GOL F 160 >SER~F 102 92.13 33.61 51.52 92.83 35.23 53.21 92.48 34.42 52.36 2 0 -3.11 -999 ? O3 GOL F 160s >ALA~F 103 95.58 33.16 49.91 96.56 32.05 50.23 96.07 32.61 50.07 2 0 8.44 -999 ? O3 GOL F 160 >VAL~F 104 94.01 32.44 46.50 93.13 30.64 45.57 93.57 31.54 46.03 3 0 9.37 -999 ? O3 GOL F 160 >TYR~F 105 89.94 36.99 47.83 88.40 39.31 47.65 89.17 38.15 47.74 3 0 5.28 -999 ? C2 GOL F 160 >SER~F 106 94.82 37.69 47.89 95.01 37.68 50.32 94.92 37.68 49.10 2 0 5.63 -999 ? O3 GOL F 160 >ARG~F 107 98.51 33.43 43.14 99.32 32.95 40.20 98.92 33.19 41.67 2 0 14.56 -999 ? O1 GOL F 162 >ALA~F 108 93.81 37.37 42.56 92.39 36.83 42.65 93.10 37.10 42.61 2 0 10.59 -999 ? O3 GOL F 160 >LEU~F 109 93.31 41.20 45.55 91.38 41.44 46.48 92.35 41.32 46.01 3 0 7.46 -999 ? O1 GOL F 160 >ALA~F 110 97.41 41.29 43.82 98.44 40.44 44.52 97.93 40.86 44.17 2 0 9.92 -999 ? CL CL F 159 >LEU~F 111 97.20 38.85 39.62 98.43 37.06 39.49 97.81 37.96 39.55 3 0 11.13 -999 ? CL CL F 159 >ASP~F 112 93.26 42.37 40.01 91.75 43.33 38.89 92.51 42.85 39.45 2 0 4.77 -999 ? CL CL F 159 >GLY~F 113 96.31 45.39 41.26 96.64 44.93 40.68 96.47 45.16 40.97 1 0 4.54 -999 ? CL CL F 159 >LEU~F 114 100.47 43.73 39.48 101.87 43.46 41.14 101.17 43.60 40.31 3 0 9.75 -999 ? CL CL F 159 >GLY.F 115 97.56 45.14 35.96 97.82 44.43 36.26 97.69 44.78 36.11 1 0 7.82 -999 ? CL CL F 159 >ARG~F 116 101.44 40.72 36.64 102.99 38.46 38.06 102.22 39.59 37.35 2 0 14.35 -999 ? CL CL F 159 >GLY~F 117 94.18 40.81 34.62 94.76 40.38 34.30 94.47 40.59 34.46 1 0 9.57 -999 ? CL CL F 159 >ALA~F 118 94.68 37.86 32.26 95.67 37.82 31.10 95.17 37.84 31.68 2 0 14.39 -999 ? CL CL F 159 >GLU~F 119 98.62 36.07 34.51 100.60 36.36 35.16 99.61 36.21 34.84 2 0 15.15 -999 ? CL CL F 159 >ALA~F 120 93.84 37.39 37.83 93.66 38.88 38.06 93.75 38.13 37.94 2 0 9.25 -999 ? CL CL F 159 >MET?F 121 90.65 36.17 36.10 88.71 37.40 32.47 89.68 36.78 34.28 2 0 13.80 -999 ? CL CL F 159 >PRO~F 122 93.19 32.72 35.06 91.30 33.12 36.21 92.25 32.92 35.64 3 0 15.58 -999 ? CL CL F 159 >GLU~F 123 94.74 33.08 40.47 95.10 31.50 41.87 94.92 32.29 41.17 2 0 13.29 -999 ? O3 GOL F 160 >PHE~F 124 89.07 37.35 40.75 90.17 39.71 41.77 89.62 38.53 41.26 3 0 9.32 -999 ? CL CL F 159 >LYS~F 126 89.13 29.47 41.43 94.89 26.92 42.25 92.01 28.19 41.84 2 0 15.34 -999 ? O3 GOL F 160 >VAL~F 127 88.02 31.37 44.55 88.46 33.33 45.49 88.24 32.35 45.02 3 0 9.33 -999 ? O3 GOL F 160 >VAL~F 128 84.37 30.78 43.61 82.91 31.80 42.31 83.64 31.29 42.96 3 0 12.92 -999 ? O2 GOL F 160 >GLU~F 129 85.57 26.99 40.24 87.09 26.72 38.75 86.33 26.86 39.49 2 0 17.71 -999 ? O3 GOL F 160 >MET?F 130 86.71 26.47 46.10 90.80 27.62 46.10 88.76 27.04 46.10 2 0 11.50 -999 ? O3 GOL F 160 >ILE~F 131 83.41 29.57 47.90 83.21 30.89 48.33 83.31 30.23 48.11 3 0 10.26 -999 ? O2 GOL F 160 >GLU~F 132 80.60 26.72 44.01 80.35 26.07 42.00 80.48 26.40 43.01 2 0 17.90 -999 ? O2 GOL F 160 >GLU~F 133 85.01 22.41 44.87 86.93 22.68 44.07 85.97 22.54 44.47 2 0 17.00 -999 ? O3 GOL F 160 >ARG~F 134 85.84 25.98 53.08 85.89 25.74 56.16 85.87 25.86 54.62 2 0 11.93 -999 ? C3 GOL F 160 >GLY.F 136 81.65 24.04 55.97 81.47 24.42 55.26 81.56 24.23 55.62 1 0 14.19 -999 ? O3 GOL F 163 >THR.F 138 83.46 30.14 55.01 84.35 29.50 53.17 83.90 29.82 54.09 2 0 8.75 -999 ? C3 GOL F 160 >PRO.F 139 83.90 32.51 58.67 83.31 32.88 56.54 83.60 32.69 57.61 3 0 5.79 -999 ? O3 GOL F 163 >GLY~F 140 83.40 36.48 54.21 83.12 35.76 54.00 83.26 36.12 54.11 1 0 -3.32 -999 ? C1 GOL F 163s >LYS~F 141 82.41 34.31 51.24 77.87 30.14 52.70 80.14 32.22 51.97 2 0 10.07 -999 ? O3 GOL F 163 >GLU~F 142 77.62 36.13 51.29 78.17 35.25 53.17 77.90 35.69 52.23 2 0 6.24 -999 ? O3 GOL F 163 >ARG~F 143 84.99 41.55 52.11 83.53 44.05 53.15 84.26 42.80 52.63 2 0 -4.19 -999 ? O2 GOL F 163s >MET?F 144 84.81 37.56 48.02 87.59 35.02 50.13 86.20 36.29 49.07 2 0 4.12 -999 ? C3 GOL F 160 >MET?F 145 82.33 36.16 45.52 80.03 32.71 46.58 81.18 34.43 46.05 2 0 11.10 -999 ? O2 GOL F 160 >GLU~F 146 79.68 41.75 44.96 77.98 42.58 45.83 78.83 42.16 45.40 2 0 9.10 -999 ? C1 GOL E 160 >VAL~F 147 84.38 41.05 44.10 86.04 41.90 45.26 85.21 41.48 44.68 3 0 8.68 -999 ? O1 GOL F 160 >ALA~F 148 85.28 38.00 42.01 85.25 36.56 42.49 85.27 37.28 42.25 2 0 10.99 -999 ? C2 GOL F 160 >ILE~F 149 80.77 37.71 40.14 80.24 37.27 39.65 80.50 37.49 39.90 3 0 14.31 -999 ? O1 GOL E 160 >ASP~F 150 82.26 43.07 40.45 80.27 43.24 41.25 81.27 43.16 40.85 2 0 12.65 -999 ? O1 GOL E 160 >ARG~F 151 87.47 44.12 40.09 88.78 45.19 37.46 88.12 44.66 38.77 2 0 5.61 -999 ? CL CL F 159 >ILE~F 152 85.11 37.47 36.32 85.22 36.06 36.44 85.17 36.76 36.38 3 0 13.72 -999 ? CL CL F 159 >ALA~F 153 82.96 40.92 34.20 81.63 41.34 34.79 82.29 41.13 34.49 2 0 13.86 -999 ? CL CL F 159 >GLN~F 154 83.95 45.76 35.83 84.23 46.36 37.87 84.09 46.06 36.85 2 0 8.78 -999 ? CL CL F 159 >LEU~F 155 88.93 41.45 33.60 90.43 41.96 35.14 89.68 41.71 34.37 3 0 9.31 -999 ? CL CL F 159 >GLY~F 156 86.28 40.26 30.24 86.01 40.99 30.50 86.15 40.62 30.37 1 0 14.44 -999 ? CL CL F 159