REMARK SOURCE hebe.pdb HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 30-APR-09 3H9P COMPND PUTATIVE TRIPHOSPHORIBOSYL-DEPHOSPHO-COA SYNTHASE; COMPND 3 CHAIN: A, B, C; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: ARCHAEOGLOBUS FULGIDUS DSM 4304; SOURCE 3 ORGANISM_TAXID: 224325; SOURCE 4 GENE: AF_1835; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3); SOURCE 6 EXPRESSION_SYSTEM_TAXID: 469008; SOURCE 7 EXPRESSION_SYSTEM_STRAIN: BL21(DE3)MAGIC; SOURCE 8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 9 EXPRESSION_SYSTEM_PLASMID: PMCSG19 AUTHOR C.CHANG,R.WU,M.GU,A.JOACHIMIAK,MIDWEST CENTER FOR STRUCTURAL GENOMICS AUTHOR 2 (MCSG) HET MSE A 75 8 HET MSE A 103 8 HET MSE A 164 8 HET MSE A 166 8 HET MSE A 221 8 HET MSE B 75 8 HET MSE B 103 8 HET MSE B 164 8 HET MSE B 166 8 HET MSE B 221 8 HET MSE C 75 8 HET MSE C 103 8 HET MSE C 164 8 HET MSE C 166 8 HET MSE C 221 8 HET CL A 302 1 HET GOL A 303 6 HET PG4 B 301 13 SITE 1 AC1 1 ARG A 113 SITE 1 AC2 6 PRO A 52 LEU A 55 GLU A 56 GLU A 59 SITE 1 AC3 2 ALA A 58 TRP A 98 >PHE~A 43 42.15 40.50 32.16 40.27 41.17 30.22 41.21 40.84 31.19 3 0 20.15 -999 ? O3 GOL A 303 >LEU~A 44 42.05 41.12 38.27 40.36 40.79 39.62 41.21 40.95 38.95 3 0 18.56 -999 ? O3 GOL A 303 >ALA~A 45 44.41 44.99 38.10 45.89 44.90 38.31 45.15 44.94 38.20 2 0 17.79 -999 ? O3 GOL A 303 >ALA~A 47 40.52 46.56 34.39 39.65 45.32 34.28 40.09 45.94 34.34 2 0 14.64 -999 ? O3 GOL A 303 >ALA~A 48 40.36 47.87 37.99 40.89 47.10 39.17 40.63 47.48 38.58 2 0 12.98 -999 ? O3 GOL A 303 >GLY~A 49 42.29 50.98 37.02 41.53 50.67 36.80 41.91 50.83 36.91 1 0 11.11 -999 ? O3 GOL A 303 >ALA~A 50 39.10 51.68 35.00 38.79 50.95 33.69 38.94 51.31 34.34 2 0 10.00 -999 ? O3 GOL A 303 >PHE~A 51 35.85 50.55 40.10 33.63 49.99 41.71 34.74 50.27 40.90 3 0 8.06 -999 ? O3 GOL A 303 >PRO~A 52 38.34 55.48 39.03 36.45 54.56 38.15 37.40 55.02 38.59 3 0 -4.63 -999 ? O3 GOL A 303s >ALA~A 53 35.20 55.20 34.39 36.10 54.68 33.25 35.65 54.94 33.82 2 0 6.83 -999 ? O3 GOL A 303 >PHE~A 54 34.01 50.08 34.72 35.57 48.48 33.01 34.79 49.28 33.86 3 0 10.06 -999 ? O3 GOL A 303 >LEU~A 55 31.70 54.77 39.17 31.90 53.53 40.98 31.80 54.15 40.07 3 0 -4.30 -999 ? C2 GOL A 303s >GLU~A 56 31.49 58.94 33.81 32.98 60.44 33.51 32.23 59.69 33.66 2 0 -5.18 -999 ? C3 GOL A 303s >VAL~A 57 29.14 54.81 32.82 30.00 53.32 31.38 29.57 54.06 32.10 3 0 7.86 -999 ? O1 GOL A 303 >ALA~A 58 26.69 53.49 35.46 27.04 52.76 36.76 26.86 53.13 36.11 2 0 -6.03 -999 ? O1 GOL A 303s >GLU~A 59 25.88 59.30 37.44 27.09 60.93 37.93 26.49 60.12 37.69 2 0 -3.58 -999 ? O1 GOL A 303s >LYS~A 60 25.66 58.73 32.67 29.90 62.20 34.33 27.78 60.47 33.50 2 0 5.37 -999 ? C1 GOL A 303 >ARG~A 61 22.64 54.35 32.38 20.96 52.85 34.51 21.80 53.60 33.44 2 0 6.56 -999 ? CL CL A 302 >ILE~A 62 28.35 58.18 28.39 28.99 58.70 29.28 28.67 58.44 28.84 3 0 9.62 -999 ? CL CL A 302 >ILE~A 63 28.03 53.26 24.74 27.82 52.11 25.47 27.93 52.69 25.11 3 0 9.82 -999 ? CL CL A 302 >GLY~A 64 31.39 55.84 23.46 31.28 55.94 24.26 31.34 55.89 23.86 1 0 13.14 -999 ? CL CL A 302 >GLU~A 65 32.04 60.70 26.18 34.02 61.09 25.54 33.03 60.90 25.86 2 0 13.14 -999 ? C3 GOL A 303 >GLY~A 66 32.77 55.39 28.51 33.18 55.46 27.82 32.97 55.42 28.16 1 0 10.43 -999 ? C3 GOL A 303 >VAL~A 67 34.95 53.12 26.37 34.54 51.72 24.70 34.74 52.42 25.54 3 0 14.40 -999 ? O3 GOL A 303 >LEU~A 68 36.90 57.27 24.81 38.26 58.74 23.87 37.58 58.01 24.34 3 0 14.90 -999 ? C3 GOL A 303 >ARG~A 69 34.98 59.69 30.18 35.11 62.56 31.31 35.04 61.13 30.75 2 0 8.41 -999 ? C3 GOL A 303 >ALA~A 70 38.09 53.42 30.38 37.16 52.21 30.09 37.63 52.81 30.24 2 0 10.95 -999 ? O3 GOL A 303 >VAL~A 71 40.88 53.12 27.84 41.00 52.55 25.71 40.94 52.84 26.77 3 0 14.87 -999 ? O3 GOL A 303 >LYS~A 72 42.60 56.37 28.75 41.22 61.69 25.69 41.91 59.03 27.22 2 0 15.46 -999 ? O3 GOL A 303 >GLU~A 73 40.46 56.72 33.75 38.75 56.58 35.00 39.60 56.65 34.38 2 0 6.35 -999 ? O3 GOL A 303 >SER~A 74 43.60 52.04 32.76 42.48 50.68 31.16 43.04 51.36 31.96 2 0 13.64 -999 ? O3 GOL A 303 >MET?A 75 46.49 53.19 30.54 46.30 53.68 26.28 46.40 53.43 28.41 2 0 18.16 -999 ? O3 GOL A 303 >TRP.A 77 50.08 56.65 35.86 49.42 56.27 39.72 49.75 56.46 37.79 3 0 16.00 -999 ? O3 GOL A 303 >HIS.A 78 51.05 48.77 33.06 52.48 47.34 33.63 51.76 48.06 33.34 3 0 21.19 -999 ? O3 GOL A 303 >ASN.A 82 48.20 44.44 28.97 49.96 43.26 29.22 49.08 43.85 29.10 2 0 23.83 -999 ? O3 GOL A 303 >HIS~A 84 43.40 43.58 28.46 45.04 42.76 29.47 44.22 43.17 28.96 3 0 20.58 -999 ? O3 GOL A 303 >PHE~A 85 39.85 48.57 22.25 37.77 49.60 20.71 38.81 49.09 21.48 3 0 20.08 -999 ? O3 GOL A 303 >GLY~A 86 37.97 44.71 23.61 38.17 44.95 24.38 38.07 44.83 24.00 1 0 20.59 -999 ? O3 GOL A 303 >ALA~A 87 37.21 43.96 27.24 38.19 43.71 28.33 37.70 43.83 27.78 2 0 18.23 -999 ? O3 GOL A 303 >PHE~A 88 38.04 48.85 28.67 39.91 48.91 30.72 38.98 48.88 29.69 3 0 13.86 -999 ? O3 GOL A 303 >LEU~A 89 34.67 47.46 23.00 33.80 48.12 21.11 34.23 47.79 22.06 3 0 18.18 -999 ? CL CL A 302 >LEU~A 90 32.92 43.17 25.93 33.07 41.45 24.53 33.00 42.31 25.23 3 0 19.50 -999 ? CL CL A 302 >LEU~A 91 32.98 45.70 30.39 33.77 44.00 31.46 33.38 44.85 30.93 3 0 15.32 -999 ? O3 GOL A 303 >VAL~A 92 30.90 49.35 29.00 32.00 51.22 28.62 31.45 50.28 28.81 3 0 12.83 -999 ? C3 GOL A 303 >PRO~A 93 28.71 48.15 25.29 28.29 48.62 27.41 28.50 48.39 26.35 3 0 12.00 -999 ? CL CL A 302 >LEU~A 94 27.40 44.67 30.26 27.45 42.95 28.89 27.42 43.81 29.57 3 0 14.46 -999 ? CL CL A 302 >ILE~A 95 29.13 48.85 33.09 30.26 48.79 33.90 29.69 48.82 33.50 3 0 10.70 -999 ? O1 GOL A 303 >SER~A 96 25.54 51.12 31.19 24.86 50.81 28.89 25.20 50.97 30.04 2 0 7.40 -999 ? CL CL A 302 >SER.A 97 22.63 48.76 31.86 22.28 48.52 29.47 22.45 48.64 30.67 2 0 7.86 -999 ? CL CL A 302 >TRP.A 98 24.44 50.86 35.90 22.72 50.90 39.45 23.58 50.88 37.67 3 0 -9.08 -999 ? O1 GOL A 303s >ASP.A 99 20.05 49.36 37.43 19.67 50.80 35.88 19.86 50.08 36.66 2 0 8.64 -999 ? CL CL A 302 >ALA.A 100 18.28 46.16 34.24 18.67 45.89 32.81 18.48 46.02 33.53 2 0 10.72 -999 ? CL CL A 302 >GLY.A 101 17.94 42.97 36.38 18.74 43.05 36.06 18.34 43.01 36.22 1 0 14.96 -999 ? CL CL A 302 >GLY~A 102 19.67 39.61 35.92 19.55 40.18 35.32 19.61 39.90 35.62 1 0 17.68 -999 ? CL CL A 302 >MET?A 103 22.08 38.60 33.17 23.36 34.61 32.84 22.72 36.60 33.01 2 0 21.94 -999 ? CL CL A 302 >VAL~A 104 19.51 38.25 30.35 18.23 36.75 29.39 18.87 37.50 29.87 3 0 18.36 -999 ? CL CL A 302 >ASP~A 105 17.37 41.95 32.64 15.63 40.85 32.95 16.50 41.40 32.80 2 0 15.98 -999 ? CL CL A 302 >ILE~A 106 22.66 43.01 32.01 22.81 44.02 32.97 22.74 43.51 32.49 3 0 13.26 -999 ? CL CL A 302 >ALA~A 107 22.35 41.97 27.83 22.52 40.45 27.52 22.43 41.21 27.67 2 0 15.74 -999 ? CL CL A 302 >GLU~A 108 16.41 42.95 25.75 14.40 42.24 26.17 15.41 42.59 25.96 2 0 14.73 -999 ? CL CL A 302 >ALA~A 109 19.03 46.48 27.74 18.94 46.79 29.25 18.99 46.64 28.49 2 0 9.05 -999 ? CL CL A 302 >ALA~A 110 22.67 46.89 26.63 23.86 46.01 27.07 23.26 46.45 26.85 2 0 10.92 -999 ? CL CL A 302 >ARG~A 111 20.09 43.26 20.87 19.55 41.21 18.68 19.82 42.24 19.77 2 0 17.81 -999 ? CL CL A 302 >ASN~A 112 17.65 48.28 24.23 16.27 46.68 23.73 16.96 47.48 23.98 2 0 10.94 -999 ? CL CL A 302 >ARG~A 113 21.73 51.98 28.34 19.63 51.56 30.54 20.68 51.77 29.44 2 0 -4.58 -999 ? CL CL A 302s >LEU~A 114 24.22 48.87 21.50 26.12 48.14 22.30 25.17 48.50 21.90 3 0 11.63 -999 ? CL CL A 302 >ARG~A 115 18.22 47.85 18.92 17.65 44.84 19.49 17.94 46.35 19.20 2 0 14.55 -999 ? CL CL A 302 >ARG~A 116 17.20 53.65 23.19 14.18 53.26 22.71 15.69 53.46 22.95 2 0 8.47 -999 ? CL CL A 302 >THR.A 117 23.70 55.38 20.45 25.06 53.69 20.44 24.38 54.53 20.45 2 0 10.35 -999 ? CL CL A 302 >ASP~A 118 24.17 59.35 17.94 25.43 60.51 19.14 24.80 59.93 18.54 2 0 12.36 -999 ? CL CL A 302 >PHE~A 119 27.75 60.76 14.21 27.80 63.56 14.39 27.77 62.16 14.30 3 0 17.94 -999 ? CL CL A 302 >ARG~A 120 28.75 63.87 19.10 28.92 66.92 19.05 28.83 65.39 19.08 2 0 17.60 -999 ? CL CL A 302 >ASP~A 121 28.55 56.15 20.53 27.38 57.11 21.97 27.96 56.63 21.25 2 0 10.61 -999 ? CL CL A 302 >SER~A 122 31.31 55.39 17.06 29.68 54.43 15.67 30.49 54.91 16.36 2 0 16.78 -999 ? CL CL A 302 >LEU~A 123 33.46 59.69 16.55 33.20 60.59 14.53 33.33 60.14 15.54 3 0 19.74 -999 ? CL CL A 302 >SER~A 124 34.76 57.90 20.52 33.46 59.38 21.86 34.11 58.64 21.19 2 0 16.09 -999 ? CL CL A 302 >VAL~A 125 35.05 54.17 20.13 33.78 52.41 20.29 34.42 53.29 20.21 3 0 17.50 -999 ? CL CL A 302 >LEU~A 126 36.83 55.27 15.74 37.69 54.74 13.80 37.26 55.01 14.77 3 0 22.75 -999 ? CL CL A 302 >GLU~A 127 40.21 59.21 20.17 39.56 60.95 21.13 39.88 60.08 20.65 2 0 18.71 -999 ? C3 GOL A 303 >ALA~A 128 39.68 54.64 21.85 38.48 54.07 22.68 39.08 54.36 22.27 2 0 17.21 -999 ? O3 GOL A 303 >PHE~A 129 40.74 50.56 17.25 42.00 48.67 15.55 41.37 49.62 16.40 3 0 25.05 -999 ? O3 GOL A 303 >ASN~A 133 46.68 50.38 18.05 45.43 48.67 17.70 46.05 49.53 17.88 2 0 25.79 -999 ? O3 GOL A 303 >ARG~A 147 42.05 63.40 7.78 44.86 63.69 9.00 43.45 63.54 8.39 2 0 32.20 -999 ? C3 GOL A 303 >LYS~A 148 38.19 58.83 5.98 41.83 59.23 0.91 40.01 59.03 3.45 2 0 25.93 -999 ? C7 PG4 B 301 >THR~A 149 36.41 56.35 8.19 36.89 54.37 8.83 36.65 55.36 8.51 2 0 26.62 -999 ? CL CL A 302 >GLU~A 150 37.53 59.25 12.52 39.34 60.30 12.90 38.44 59.78 12.71 2 0 25.92 -999 ? CL CL A 302 >GLU~A 151 35.51 61.56 5.75 36.70 62.90 4.57 36.10 62.23 5.16 2 0 30.64 -999 ? CL CL A 302 >GLU~A 152 32.90 57.96 4.51 31.69 59.35 3.47 32.30 58.66 3.99 2 0 28.42 -999 ? CL CL A 302 >ILE~A 153 31.63 57.32 11.38 32.05 56.48 12.35 31.84 56.90 11.87 3 0 21.08 -999 ? CL CL A 302 >ALA~A 154 29.97 61.38 10.66 30.99 62.52 10.65 30.48 61.95 10.65 2 0 22.60 -999 ? CL CL A 302 >GLN~A 155 30.30 62.67 5.65 29.77 64.72 5.50 30.03 63.70 5.57 2 0 27.06 -999 ? CL CL A 302 >LYS~A 156 26.14 58.80 7.24 24.91 58.54 2.15 25.52 58.67 4.69 2 0 27.40 -999 ? CL CL A 302 >LYS~A 157 25.44 59.16 10.96 21.65 64.26 10.53 23.55 61.71 10.74 2 0 20.30 -999 ? CL CL A 302 >ILE.A 158 27.54 54.85 10.76 27.77 53.85 9.65 27.66 54.35 10.21 3 0 20.45 -999 ? CL CL A 302 >ASN~A 159 24.56 54.85 15.93 23.46 53.03 15.99 24.01 53.94 15.96 2 0 13.77 -999 ? CL CL A 302 >LEU~A 160 28.32 52.30 18.61 30.02 51.45 19.59 29.17 51.88 19.10 3 0 14.35 -999 ? CL CL A 302 >TYR~A 161 23.12 48.39 16.82 21.60 46.07 16.46 22.36 47.23 16.64 3 0 15.23 -999 ? CL CL A 302 >GLU~A 162 23.12 51.61 12.69 22.40 53.60 12.32 22.76 52.60 12.50 2 0 16.95 -999 ? CL CL A 302 >TRP~A 163 31.59 50.99 11.61 34.30 52.22 14.21 32.95 51.60 12.91 3 0 21.34 -999 ? CL CL A 302 >MET?A 164 29.18 46.89 14.36 31.69 46.92 16.65 30.44 46.91 15.50 2 0 19.47 -999 ? CL CL A 302 >LYS~A 165 26.57 45.40 11.97 21.22 46.09 10.18 23.89 45.74 11.08 2 0 21.14 -999 ? CL CL A 302 >MET?A 166 29.08 46.04 9.16 28.09 49.80 7.56 28.58 47.92 8.36 2 0 23.78 -999 ? CL CL A 302 >ALA~A 167 32.00 44.18 10.71 32.28 44.11 12.21 32.14 44.15 11.46 2 0 24.08 -999 ? CL CL A 302 >PRO~A 168 35.48 41.66 9.63 33.21 41.55 9.52 34.34 41.60 9.57 3 0 28.23 -999 ? CL CL A 302 >GLU~A 169 30.76 35.22 10.85 32.23 33.68 11.18 31.49 34.45 11.01 2 0 31.10 -999 ? CL CL A 302 >GLU~A 170 37.14 38.01 11.50 36.91 38.53 9.45 37.02 38.27 10.48 2 0 31.33 -999 ? CL CL A 302 >ASN~A 171 34.60 41.23 14.07 35.02 42.83 15.41 34.81 42.03 14.74 2 0 24.35 -999 ? CL CL A 302 >LEU~A 172 34.26 37.27 18.75 34.77 35.16 18.26 34.51 36.22 18.50 3 0 26.83 -999 ? CL CL A 302 >ILE~A 173 34.21 42.46 20.42 35.10 43.05 21.26 34.65 42.75 20.84 3 0 21.62 -999 ? CL CL A 302 >ALA~A 174 31.11 43.22 17.07 31.63 43.31 15.62 31.37 43.26 16.35 2 0 21.93 -999 ? CL CL A 302 >ARG~A 175 29.26 36.70 15.83 31.02 34.29 15.38 30.14 35.49 15.60 2 0 27.93 -999 ? CL CL A 302 >GLU~A 176 29.96 39.07 22.02 28.64 37.70 22.92 29.30 38.38 22.47 2 0 21.18 -999 ? CL CL A 302 >LEU~A 177 28.38 45.23 19.97 29.88 46.05 21.41 29.13 45.64 20.69 3 0 16.27 -999 ? CL CL A 302 >VAL~A 178 24.87 43.30 17.67 24.99 43.64 15.48 24.93 43.47 16.58 3 0 18.27 -999 ? CL CL A 302 >ASP~A 179 23.73 38.74 18.21 25.43 37.94 19.37 24.58 38.34 18.79 2 0 21.11 -999 ? CL CL A 302 >GLY~A 180 22.60 40.64 22.46 23.28 40.36 22.19 22.94 40.50 22.32 1 0 16.78 -999 ? CL CL A 302 >PHE~A 181 26.49 41.45 25.12 27.57 44.01 24.89 27.03 42.73 25.00 3 0 15.63 -999 ? CL CL A 302 >LYS~A 182 25.19 35.62 23.07 22.62 34.32 17.86 23.90 34.97 20.46 2 0 24.36 -999 ? CL CL A 302 >ILE~A 183 30.03 34.77 22.97 30.98 34.57 22.01 30.51 34.67 22.49 3 0 24.72 -999 ? CL CL A 302 >SER~A 184 28.92 36.25 27.10 29.80 38.41 26.48 29.36 37.33 26.79 2 0 20.41 -999 ? CL CL A 302 >ILE~A 185 24.23 34.95 27.53 22.94 35.40 27.36 23.58 35.18 27.44 3 0 21.11 -999 ? CL CL A 302 >GLU~A 186 27.85 29.51 25.73 28.85 29.21 23.86 28.35 29.36 24.79 2 0 28.68 -999 ? CL CL A 302 >GLY~A 187 29.95 31.85 29.14 29.15 31.96 29.38 29.55 31.90 29.26 1 0 26.19 -999 ? CL CL A 302 >ALA~A 188 27.95 33.10 32.14 27.00 34.27 32.18 27.48 33.68 32.16 2 0 23.09 -999 ? CL CL A 302 >LYS~A 189 25.81 29.95 32.16 20.78 30.63 28.34 23.30 30.29 30.25 2 0 25.24 -999 ? CL CL A 302 >PHE~A 190 31.25 27.08 30.92 33.37 25.23 30.83 32.31 26.16 30.88 3 0 32.41 -999 ? CL CL A 302 >LEU~A 191 30.76 31.09 35.21 32.66 32.10 34.65 31.71 31.60 34.93 3 0 26.77 -999 ? O3 GOL A 303 >LEU~A 192 25.81 30.01 36.52 25.21 32.04 36.97 25.51 31.03 36.75 3 0 26.72 -999 ? CL CL A 302 >SER~A 193 26.98 25.59 36.47 27.71 24.89 34.26 27.35 25.24 35.36 2 0 32.48 -999 ? CL CL A 302 >PHE~A 194 32.64 25.16 36.70 34.45 23.36 35.63 33.54 24.26 36.16 3 0 33.84 -999 ? O3 GOL A 303 >GLY~A 195 30.57 27.38 41.16 30.94 27.76 40.50 30.76 27.57 40.83 1 0 30.80 -999 ? O1 GOL A 303 >ASN~A 196 31.79 31.60 43.27 32.40 33.58 42.76 32.10 32.59 43.02 2 0 24.78 -999 ? O3 GOL A 303 >SER~A 197 35.97 29.69 41.82 35.81 27.53 40.64 35.89 28.61 41.23 2 0 30.58 -999 ? O3 GOL A 303 >GLY~A 198 39.06 30.69 39.86 38.61 29.97 39.89 38.83 30.33 39.87 1 0 27.82 -999 ? O3 GOL A 303 >LYS~A 199 38.93 27.09 38.53 38.31 22.30 36.68 38.62 24.69 37.60 2 0 36.04 -999 ? O3 GOL A 303 >ALA~A 200 35.62 27.79 36.80 34.34 28.25 37.46 34.98 28.02 37.13 2 0 29.78 -999 ? O3 GOL A 303 >VAL~A 201 37.12 30.92 35.19 37.44 33.03 35.74 37.28 31.97 35.46 3 0 26.46 -999 ? O3 GOL A 303 >VAL~A 202 40.01 28.85 33.81 41.87 28.11 34.66 40.94 28.48 34.23 3 0 30.70 -999 ? O3 GOL A 303 >GLU~A 203 37.55 24.18 34.15 39.24 23.26 33.19 38.40 23.72 33.67 2 0 35.60 -999 ? O3 GOL A 303 >LEU~A 204 35.01 30.26 31.50 33.45 31.35 30.26 34.23 30.81 30.88 3 0 28.32 -999 ? O3 GOL A 303 >TYR~A 205 41.08 31.38 29.02 43.13 32.21 27.30 42.11 31.79 28.16 3 0 29.46 -999 ? O3 GOL A 303 >TYR~A 206 41.98 26.41 28.67 44.54 27.32 29.40 43.26 26.86 29.03 3 0 33.95 -999 ? O3 GOL A 303 >HIS~A 207 33.69 26.39 26.86 31.85 25.90 25.98 32.77 26.15 26.42 3 0 32.63 -999 ? CL CL A 302 >LEU~A 208 35.90 31.17 25.31 34.07 32.03 26.24 34.99 31.60 25.77 3 0 28.96 -999 ? CL CL A 302 >LEU~A 209 40.83 28.95 24.25 42.87 29.66 23.83 41.85 29.31 24.04 3 0 33.23 -999 ? O3 GOL A 303 >SER~A 210 38.46 25.86 21.78 38.49 24.39 23.77 38.47 25.13 22.78 2 0 37.10 -999 ? O3 GOL A 303 >LYS~A 211 35.30 27.28 20.26 30.09 26.08 22.18 32.70 26.68 21.22 2 0 32.30 -999 ? CL CL A 302 >PHE~A 212 33.98 31.54 19.74 31.33 31.07 20.46 32.66 31.31 20.10 3 0 29.21 -999 ? CL CL A 302 >PRO~A 213 37.90 30.45 14.77 38.54 31.14 16.84 38.22 30.80 15.81 3 0 33.91 -999 ? CL CL A 302 >ASP~A 214 41.66 34.75 19.02 41.54 36.50 20.24 41.60 35.63 19.63 2 0 29.41 -999 ? O3 GOL A 303 >PRO~A 215 38.53 38.32 16.98 40.09 37.06 15.97 39.31 37.69 16.48 3 0 29.63 -999 ? CL CL A 302 >LEU~A 216 43.65 39.47 18.36 42.99 41.26 19.35 43.32 40.37 18.86 3 0 28.24 -999 ? O3 GOL A 303 >VAL~A 217 45.30 35.92 16.29 45.65 34.07 17.38 45.47 35.00 16.83 3 0 33.85 -999 ? O3 GOL A 303 >ILE~A 218 42.18 35.81 12.38 40.95 35.36 11.80 41.56 35.59 12.09 3 0 34.37 -999 ? CL CL A 302 >ALA~A 219 44.99 39.15 11.92 44.42 40.45 12.51 44.71 39.80 12.22 2 0 33.31 -999 ? O3 GOL A 303 >LYS~A 220 48.52 38.57 13.27 52.50 40.39 17.66 50.51 39.48 15.46 2 0 33.23 -999 ? O3 GOL A 303 >MET?A 221 49.18 34.86 12.53 51.32 35.13 14.92 50.25 35.00 13.73 2 0 37.38 -999 ? O3 GOL A 303 >GLY~A 222 46.57 34.07 9.89 46.39 33.91 10.67 46.48 33.99 10.28 1 0 34.43 -999 ? O5 PG4 B 301 >ARG~A 223 40.36 33.22 7.53 37.69 32.57 6.10 39.03 32.90 6.81 2 0 31.23 -999 ? O5 PG4 B 301 >GLU~A 224 45.24 26.60 8.43 45.96 25.36 9.97 45.60 25.98 9.20 2 0 38.27 -999 ? O5 PG4 B 301 >TYR~A 225 48.97 30.29 14.31 50.37 30.01 16.71 49.67 30.15 15.51 3 0 39.58 -999 ? O3 GOL A 303 >ALA~A 226 43.96 30.83 14.74 43.13 32.04 14.33 43.55 31.44 14.54 2 0 36.59 -999 ? CL CL A 302 >GLU~A 227 40.15 26.96 12.13 39.26 28.56 11.04 39.70 27.76 11.59 2 0 37.31 -999 ? O5 PG4 B 301 >LYS~A 228 44.81 25.61 15.06 47.38 21.49 11.88 46.09 23.55 13.47 2 0 42.20 -999 ? O5 PG4 B 301 >ILE~A 229 44.43 28.68 18.85 45.60 28.93 19.60 45.01 28.80 19.23 3 0 36.87 -999 ? O3 GOL A 303 >THR~A 230 41.01 25.93 18.87 39.80 26.65 17.29 40.41 26.29 18.08 2 0 37.42 -999 ? CL CL A 302 >GLU~A 231 41.69 22.02 15.70 42.38 21.73 13.72 42.04 21.88 14.71 2 0 43.10 -999 ? O5 PG4 B 301 >TRP~A 232 47.32 22.31 18.37 49.31 25.51 17.20 48.31 23.91 17.78 3 0 42.57 -999 ? O3 GOL A 303 >ALA~A 233 42.96 24.22 23.13 42.09 25.51 23.04 42.52 24.86 23.09 2 0 37.03 -999 ? O3 GOL A 303 >GLU~A 234 40.02 20.45 20.61 38.57 20.11 19.10 39.29 20.28 19.85 2 0 41.68 -999 ? CL CL A 302 >LYS~A 235 43.28 18.89 23.53 42.52 18.24 18.58 42.90 18.56 21.05 2 0 45.30 -999 ? CL CL A 302 >ALA~A 236 44.92 20.89 26.31 45.54 22.28 26.17 45.23 21.59 26.24 2 0 39.64 -999 ? O3 GOL A 303 >THR~A 238 45.86 18.88 32.08 47.31 17.34 31.51 46.58 18.11 31.80 2 0 43.44 -999 ? O3 GOL A 303 >GLU~A 240 53.17 19.39 32.06 53.94 20.85 30.68 53.55 20.12 31.37 2 0 43.00 -999 ? O3 GOL A 303 >GLU~A 241 48.49 18.20 27.91 46.86 16.85 27.91 47.68 17.52 27.91 2 0 44.50 -999 ? O3 GOL A 303 >ARG~A 242 44.44 23.76 31.01 41.39 23.30 31.40 42.91 23.53 31.21 2 0 36.27 -999 ? O3 GOL A 303 >LYS~A 243 51.27 25.62 30.12 54.93 26.79 33.88 53.10 26.20 32.00 2 0 37.97 -999 ? O3 GOL A 303 >GLU~A 244 53.54 21.85 25.96 53.07 19.79 25.93 53.31 20.82 25.94 2 0 44.66 -999 ? O3 GOL A 303 >LEU~A 245 48.68 25.49 24.97 47.26 26.07 23.39 47.97 25.78 24.18 3 0 38.08 -999 ? O3 GOL A 303 >ASP~A 246 50.37 29.29 28.30 48.36 29.31 28.92 49.37 29.30 28.61 2 0 33.63 -999 ? O3 GOL A 303 >GLU~A 247 56.52 28.75 27.15 58.10 27.39 27.44 57.31 28.07 27.29 2 0 40.67 -999 ? O3 GOL A 303 >LYS~A 248 53.79 28.13 22.50 54.23 26.00 17.96 54.01 27.07 20.23 2 0 43.27 -999 ? O3 GOL A 303 >LEU~A 249 50.11 31.16 22.85 48.37 29.91 22.23 49.24 30.53 22.54 3 0 35.42 -999 ? O3 GOL A 303 >LEU~A 250 54.45 33.15 25.24 55.04 34.88 26.41 54.75 34.02 25.83 3 0 34.34 -999 ? O3 GOL A 303 >LYS~A 251 57.07 32.10 21.81 62.43 29.72 23.21 59.75 30.91 22.51 2 0 43.12 -999 ? O3 GOL A 303 >ASP~A 252 53.75 31.64 18.29 54.44 29.75 17.67 54.09 30.69 17.98 2 0 40.83 -999 ? O3 GOL A 303 >GLY~A 253 53.74 36.07 19.74 53.24 35.40 19.60 53.49 35.73 19.67 1 0 35.20 -999 ? O3 GOL A 303 >ALA~A 254 50.11 34.91 19.49 49.81 33.56 18.84 49.96 34.24 19.17 2 0 35.34 -999 ? O3 GOL A 303 >ASN~A 255 48.29 37.64 22.97 46.83 38.24 24.46 47.56 37.94 23.71 2 0 27.64 -999 ? O3 GOL A 303 >PRO~A 256 45.05 33.29 23.23 44.94 35.38 22.39 45.00 34.34 22.81 3 0 30.65 -999 ? O3 GOL A 303 >GLY~A 257 43.06 38.70 23.67 42.61 38.17 23.31 42.84 38.44 23.49 1 0 26.18 -999 ? O3 GOL A 303 >THR~A 258 39.45 38.43 22.53 38.68 38.79 20.55 39.06 38.61 21.54 2 0 26.92 -999 ? O3 GOL A 303 >ILE~A 259 39.75 33.84 24.09 38.76 33.03 23.47 39.26 33.44 23.78 3 0 29.28 -999 ? O3 GOL A 303 >ALA~A 260 40.10 36.73 27.59 41.51 37.22 27.89 40.81 36.98 27.74 2 0 24.68 -999 ? O3 GOL A 303 >ASP~A 261 37.84 40.53 25.38 39.59 41.80 25.11 38.71 41.17 25.24 2 0 21.96 -999 ? O3 GOL A 303 >LEU~A 262 34.64 36.41 25.27 33.84 36.86 23.26 34.24 36.64 24.26 3 0 24.68 -999 ? CL CL A 302 >THR~A 263 35.81 35.61 29.60 37.32 34.17 30.09 36.57 34.89 29.84 2 0 25.60 -999 ? O3 GOL A 303 >ALA~A 264 35.57 38.94 31.42 36.51 40.15 31.17 36.04 39.54 31.30 2 0 19.59 -999 ? O3 GOL A 303 >SER~A 265 32.23 39.94 30.00 32.01 39.19 27.71 32.12 39.57 28.86 2 0 20.89 -999 ? CL CL A 302 >SER~A 266 30.91 36.44 30.94 31.29 34.87 29.14 31.10 35.66 30.04 2 0 24.08 -999 ? CL CL A 302 >ILE~A 267 33.63 37.28 35.01 34.88 37.04 35.73 34.25 37.16 35.37 3 0 21.12 -999 ? O3 GOL A 303 >PHE~A 268 29.58 42.65 34.31 27.77 44.60 35.28 28.67 43.62 34.80 3 0 15.00 -999 ? O1 GOL A 303 >LEU~A 269 26.65 38.08 32.24 26.02 39.44 30.62 26.34 38.76 31.43 3 0 18.59 -999 ? CL CL A 302 >ALA~A 270 27.48 35.67 35.97 28.58 34.59 35.94 28.03 35.13 35.96 2 0 23.65 -999 ? O1 GOL A 303 >LEU~A 271 29.17 39.22 38.89 31.20 38.95 39.61 30.18 39.08 39.25 3 0 19.01 -999 ? O1 GOL A 303 >ALA~A 272 24.98 40.04 38.12 24.71 40.90 36.91 24.85 40.47 37.51 2 0 17.76 -999 ? CL CL A 302 >GLU~A 273 22.05 34.70 36.69 20.11 35.52 36.25 21.08 35.11 36.47 2 0 21.62 -999 ? CL CL A 302 >GLY~A 274 24.19 35.55 41.22 24.53 35.18 40.48 24.36 35.37 40.85 1 0 23.14 -999 ? O1 GOL A 303 >TRP~A 275 29.22 31.26 39.86 32.71 32.65 38.68 30.97 31.95 39.27 3 0 26.18 -999 ? O1 GOL A 303 >ARG~A 276 24.14 32.96 45.52 22.87 35.66 44.81 23.50 34.31 45.16 2 0 23.97 -999 ? O1 GOL A 303 >PHE~B 43 46.30 38.13 -13.96 44.77 40.02 -12.57 45.53 39.07 -13.26 3 0 11.94 -999 ? O5 PG4 B 301 >ALA~B 45 44.08 34.45 -20.14 44.73 33.07 -20.19 44.41 33.76 -20.17 2 0 13.43 -999 ? O5 PG4 B 301 >ALA~B 47 40.93 38.24 -17.43 41.83 39.47 -17.40 41.38 38.85 -17.42 2 0 7.90 -999 ? O5 PG4 B 301 >ALA~B 48 40.13 37.89 -21.15 41.00 37.14 -22.15 40.56 37.51 -21.65 2 0 8.71 -999 ? O5 PG4 B 301 >GLY~B 49 36.93 35.97 -20.30 37.11 36.75 -20.15 37.02 36.36 -20.22 1 0 10.81 -999 ? O5 PG4 B 301 >ALA~B 50 35.51 39.19 -18.86 36.06 39.78 -17.58 35.78 39.48 -18.22 2 0 8.96 -999 ? O5 PG4 B 301 >PHE~B 51 37.42 41.66 -24.24 38.21 43.69 -25.98 37.82 42.67 -25.11 3 0 5.47 -999 ? O5 PG4 B 301 >PRO~B 52 32.58 38.92 -23.55 33.18 41.00 -22.93 32.88 39.96 -23.24 3 0 9.75 -999 ? O4 PG4 B 301 >ALA~B 53 31.74 42.60 -19.63 32.07 41.91 -18.29 31.90 42.25 -18.96 2 0 10.03 -999 ? O4 PG4 B 301 >PHE~B 54 36.61 44.41 -19.45 38.02 43.36 -17.29 37.32 43.89 -18.37 3 0 5.51 -999 ? O5 PG4 B 301 >LEU~B 55 32.58 45.31 -24.87 34.31 44.96 -26.23 33.44 45.14 -25.55 3 0 5.76 -999 ? C4 PG4 B 301 >GLU~B 56 27.23 45.68 -20.93 25.96 44.04 -20.51 26.59 44.86 -20.72 2 0 12.74 -999 ? C5 PG4 B 301 >VAL~B 57 30.72 48.66 -19.08 31.77 48.56 -17.15 31.24 48.61 -18.11 3 0 8.25 -999 ? C5 PG4 B 301 >ALA~B 58 32.41 50.95 -21.67 33.47 50.53 -22.80 32.94 50.74 -22.23 2 0 3.75 -999 ? C5 PG4 B 301 >GLU~B 59 27.77 49.71 -24.09 26.50 49.24 -25.70 27.14 49.48 -24.90 2 0 9.47 -999 ? C4 PG4 B 301 >LYS~B 60 26.73 51.40 -20.08 23.38 46.18 -21.21 25.05 48.79 -20.65 2 0 14.08 -999 ? C4 PG4 B 301 >ARG~B 61 30.37 55.27 -19.68 32.11 56.73 -21.77 31.24 56.00 -20.73 2 0 8.38 -999 ? O3 PG4 B 301 >ILE~B 62 26.01 50.81 -14.32 24.76 50.73 -14.37 25.38 50.77 -14.34 3 0 15.09 -999 ? C5 PG4 B 301 >ILE~B 63 30.91 51.28 -10.91 32.05 51.65 -11.55 31.48 51.46 -11.23 3 0 14.04 -999 ? C7 PG4 B 301 >GLY~B 64 28.43 47.86 -9.69 28.43 47.89 -10.48 28.43 47.88 -10.09 1 0 16.64 -999 ? C7 PG4 B 301 >GLU~B 65 24.11 46.74 -12.45 22.67 47.92 -13.57 23.39 47.33 -13.01 2 0 17.74 -999 ? C5 PG4 B 301 >GLY~B 66 29.82 46.07 -14.27 29.63 45.71 -13.56 29.72 45.89 -13.91 1 0 12.49 -999 ? O4 PG4 B 301 >VAL~B 67 31.74 44.35 -11.49 32.82 45.12 -9.74 32.28 44.73 -10.61 3 0 13.93 -999 ? C7 PG4 B 301 >LEU~B 68 27.53 42.21 -10.51 26.11 40.86 -9.49 26.82 41.54 -10.00 3 0 18.58 -999 ? C7 PG4 B 301 >ARG~B 69 27.35 42.63 -17.93 24.92 44.40 -17.18 26.14 43.51 -17.56 2 0 14.74 -999 ? C5 PG4 B 301 >ALA~B 70 32.45 40.72 -14.97 33.50 41.77 -14.70 32.97 41.24 -14.84 2 0 11.21 -999 ? O5 PG4 B 301 >LYS~B 72 29.66 36.10 -13.48 24.00 37.93 -12.16 26.83 37.02 -12.82 2 0 20.71 -999 ? O4 PG4 B 301 >GLU~B 73 29.94 37.76 -18.51 30.20 38.76 -20.35 30.07 38.26 -19.43 2 0 12.66 -999 ? O4 PG4 B 301 >MET?B 75 33.07 31.96 -14.10 30.99 32.93 -10.51 32.03 32.44 -12.30 2 0 19.96 -999 ? O5 PG4 B 301 >PHE~B 85 35.85 40.61 -6.11 34.28 42.62 -4.98 35.07 41.61 -5.54 3 0 17.97 -999 ? O5 PG4 B 301 >GLY~B 86 39.88 42.58 -7.04 39.66 42.30 -7.78 39.77 42.44 -7.41 1 0 15.33 -999 ? O5 PG4 B 301 >ALA~B 87 40.98 43.02 -10.62 41.55 41.99 -11.60 41.27 42.50 -11.11 2 0 11.08 -999 ? O5 PG4 B 301 >PHE~B 88 36.53 41.51 -12.59 37.01 39.24 -14.17 36.77 40.37 -13.38 3 0 11.03 -999 ? O5 PG4 B 301 >LEU~B 89 36.75 45.81 -7.39 35.46 46.76 -5.94 36.11 46.28 -6.67 3 0 15.95 -999 ? C7 PG4 B 301 >LEU~B 90 41.30 47.64 -10.00 42.71 48.14 -8.49 42.01 47.89 -9.25 3 0 12.93 -999 ? O5 PG4 B 301 >LEU~B 91 39.50 46.60 -14.63 41.52 46.17 -15.16 40.51 46.38 -14.90 3 0 7.12 -999 ? O5 PG4 B 301 >VAL~B 92 35.57 48.56 -14.10 33.69 47.40 -13.73 34.63 47.98 -13.92 3 0 9.57 -999 ? C7 PG4 B 301 >PRO~B 93 35.77 51.36 -10.70 35.68 51.54 -12.93 35.73 51.45 -11.82 3 0 11.63 -999 ? C7 PG4 B 301 >LEU~B 94 40.11 52.18 -15.13 41.55 52.63 -13.54 40.83 52.41 -14.33 3 0 9.27 -999 ? C7 PG4 B 301 >ILE~B 95 36.78 49.58 -18.27 37.06 48.33 -18.90 36.92 48.96 -18.58 3 0 4.56 -999 ? C7 PG4 B 301 >SER~B 96 33.80 53.13 -17.58 33.43 53.84 -15.26 33.61 53.49 -16.42 2 0 10.36 -999 ? C5 PG4 B 301 >SER~B 97 36.01 56.19 -18.13 35.88 56.79 -15.78 35.94 56.49 -16.96 2 0 10.98 -999 ? C6 PG4 B 301 >TRP~B 98 34.87 53.70 -22.10 35.15 54.89 -25.85 35.01 54.30 -23.97 3 0 4.24 -999 ? O3 PG4 B 301 >ASP~B 99 36.06 57.92 -24.05 34.31 58.06 -22.84 35.18 57.99 -23.44 2 0 8.16 -999 ? O3 PG4 B 301 >ALA~B 100 38.32 60.48 -20.69 38.40 60.30 -19.16 38.36 60.39 -19.93 2 0 11.46 -999 ? O3 PG4 B 301 >GLY~B 101 41.67 60.86 -22.41 41.66 60.21 -21.87 41.67 60.54 -22.14 1 0 11.66 -999 ? O3 PG4 B 301 >GLY~B 102 45.02 60.21 -20.80 44.33 60.17 -20.42 44.68 60.19 -20.61 1 0 13.04 -999 ? C6 PG4 B 301 >MET?B 103 45.87 58.16 -17.77 49.71 57.39 -16.55 47.79 57.77 -17.16 2 0 15.22 -999 ? C7 PG4 B 301 >VAL~B 104 45.48 61.06 -15.35 46.80 62.67 -14.58 46.14 61.87 -14.97 3 0 17.05 -999 ? C6 PG4 B 301 >ASP~B 105 41.88 62.54 -18.32 42.54 64.55 -18.64 42.21 63.55 -18.48 2 0 16.39 -999 ? O3 PG4 B 301 >ILE~B 106 41.50 57.19 -17.48 41.42 56.08 -18.39 41.46 56.63 -17.93 3 0 9.69 -999 ? C6 PG4 B 301 >ALA~B 107 41.80 58.00 -13.07 43.23 58.10 -12.45 42.52 58.05 -12.76 2 0 14.74 -999 ? C7 PG4 B 301 >GLU~B 108 39.72 63.70 -12.80 40.41 65.63 -12.51 40.07 64.67 -12.66 2 0 19.74 -999 ? C6 PG4 B 301 >ALA~B 109 37.06 60.67 -14.25 36.96 60.44 -15.78 37.01 60.56 -15.01 2 0 13.54 -999 ? O3 PG4 B 301 >ALA~B 110 36.78 57.27 -12.58 37.71 56.12 -12.75 37.24 56.69 -12.67 2 0 12.72 -999 ? C6 PG4 B 301 >ARG~B 111 39.32 60.68 -6.63 40.63 61.70 -4.03 39.98 61.19 -5.33 2 0 22.96 -999 ? C7 PG4 B 301 >ASN~B 112 34.27 62.21 -11.13 35.51 63.90 -10.61 34.89 63.06 -10.87 2 0 19.62 -999 ? C6 PG4 B 301 >ARG~B 113 32.57 56.88 -14.99 31.24 58.19 -17.41 31.91 57.53 -16.20 2 0 12.12 -999 ? O3 PG4 B 301 >LEU~B 114 34.10 56.01 -7.55 34.97 54.06 -8.08 34.54 55.03 -7.82 3 0 16.86 -999 ? C7 PG4 B 301 >ARG~B 115 34.21 62.30 -5.74 36.99 63.61 -5.32 35.60 62.96 -5.53 2 0 23.14 -999 ? C6 PG4 B 301 >ARG~B 116 28.33 62.42 -10.82 25.35 63.06 -10.38 26.84 62.74 -10.60 2 0 22.38 -999 ? C5 PG4 B 301 >THR~B 117 27.60 56.04 -7.53 28.79 54.37 -6.89 28.20 55.21 -7.21 2 0 19.58 -999 ? C5 PG4 B 301 >ASP~B 118 23.17 55.35 -5.79 22.50 53.99 -7.24 22.83 54.67 -6.52 2 0 22.55 -999 ? C5 PG4 B 301 >PHE~B 119 21.53 52.02 -1.93 18.86 51.54 -2.67 20.19 51.78 -2.30 3 0 27.51 -999 ? C5 PG4 B 301 >ARG~B 120 19.71 51.09 -7.31 19.09 54.08 -7.45 19.40 52.58 -7.38 2 0 24.74 -999 ? C5 PG4 B 301 >ASP~B 121 27.22 51.15 -7.21 26.59 52.01 -9.04 26.90 51.58 -8.12 2 0 18.37 -999 ? C5 PG4 B 301 >SER~B 122 27.54 48.80 -3.35 27.69 50.85 -2.13 27.62 49.83 -2.74 2 0 23.45 -999 ? C7 PG4 B 301 >LEU~B 123 23.39 46.25 -3.39 22.31 46.71 -1.45 22.85 46.48 -2.42 3 0 25.83 -999 ? C7 PG4 B 301 >SER~B 124 26.06 44.72 -6.72 24.70 45.70 -8.43 25.38 45.21 -7.57 2 0 20.20 -999 ? C5 PG4 B 301 >VAL~B 125 29.75 44.68 -5.60 31.39 46.19 -5.63 30.57 45.43 -5.61 3 0 18.93 -999 ? C7 PG4 B 301 >LEU~B 126 27.90 43.31 -1.23 28.15 42.47 0.87 28.03 42.89 -0.18 3 0 25.26 -999 ? C7 PG4 B 301 >GLU~B 127 25.11 39.19 -6.05 23.54 39.66 -7.44 24.33 39.42 -6.75 2 0 23.12 -999 ? C7 PG4 B 301 >ALA~B 128 29.86 40.03 -6.83 30.44 41.21 -7.61 30.15 40.62 -7.22 2 0 18.32 -999 ? C7 PG4 B 301 >PHE~B 129 33.25 39.97 -1.69 35.04 39.13 0.32 34.15 39.55 -0.68 3 0 23.24 -999 ? O5 PG4 B 301 >LEU~B 131 29.12 35.67 -7.03 27.18 35.38 -7.95 28.15 35.52 -7.49 3 0 21.94 -999 ? O5 PG4 B 301 >SER~B 132 33.39 35.22 -5.72 35.29 36.69 -5.97 34.34 35.96 -5.85 2 0 19.29 -999 ? O5 PG4 B 301 >LYS~B 145 26.42 38.94 8.27 31.58 37.76 6.45 29.00 38.35 7.36 2 0 31.02 -999 ? O5 PG4 B 301 >ASP~B 146 26.65 38.81 3.38 28.76 38.73 2.94 27.71 38.77 3.16 2 0 28.65 -999 ? O5 PG4 B 301 >ARG~B 147 18.99 39.08 5.69 17.29 36.72 6.74 18.14 37.90 6.22 2 0 29.30 -999 ? CL CL A 302 >LYS~B 148 23.40 42.54 7.84 22.37 39.74 12.39 22.88 41.14 10.11 2 0 23.21 -999 ? CL CL A 302 >THR~B 149 25.96 44.59 5.93 27.76 43.96 4.83 26.86 44.28 5.38 2 0 28.07 -999 ? CL CL A 302 >GLU~B 150 23.63 42.89 1.26 22.61 41.08 0.81 23.12 41.98 1.04 2 0 29.25 -999 ? C7 PG4 B 301 >GLU~B 151 19.53 44.18 6.53 19.51 42.79 8.16 19.52 43.48 7.35 2 0 24.46 -999 ? CL CL A 302 >GLU~B 152 24.11 48.56 8.75 22.44 49.65 9.53 23.27 49.10 9.14 2 0 20.51 -999 ? CL CL A 302 >ILE~B 153 24.80 48.85 1.92 25.73 48.37 1.16 25.26 48.61 1.54 3 0 27.65 -999 ? C7 PG4 B 301 >ALA~B 154 20.56 50.03 1.76 19.62 48.85 1.76 20.09 49.44 1.76 2 0 27.98 -999 ? CL CL A 302 >GLN~B 155 18.58 49.76 6.07 16.46 49.57 5.67 17.52 49.66 5.87 2 0 24.20 -999 ? CL CL A 302 >LYS~B 156 22.18 54.34 5.11 22.52 55.86 10.20 22.35 55.10 7.66 2 0 18.91 -999 ? CL CL A 302 >ILE~B 158 26.79 53.04 2.38 27.60 52.84 3.55 27.20 52.94 2.96 3 0 27.20 -999 ? CL CL A 302 >ASN~B 159 27.46 55.55 -3.07 29.10 56.91 -2.93 28.28 56.23 -3.00 2 0 23.68 -999 ? C5 PG4 B 301 >LEU~B 160 30.75 52.14 -4.90 31.75 50.30 -5.42 31.25 51.22 -5.16 3 0 19.21 -999 ? C7 PG4 B 301 >TYR~B 161 33.83 57.72 -3.15 35.84 59.60 -2.68 34.84 58.66 -2.91 3 0 22.64 -999 ? C7 PG4 B 301 >GLU~B 162 29.79 57.82 0.56 27.66 58.13 0.37 28.73 57.97 0.46 2 0 27.47 -999 ? C5 PG4 B 301 >TRP~B 163 31.15 49.57 2.67 30.74 46.52 0.21 30.95 48.05 1.44 3 0 25.11 -999 ? C7 PG4 B 301 >MET?B 164 35.39 52.04 0.30 35.92 49.35 -1.57 35.66 50.69 -0.63 2 0 20.99 -999 ? C7 PG4 B 301 >LYS~B 165 36.15 55.08 2.51 35.35 60.66 2.80 35.75 57.87 2.65 2 0 28.44 -999 ? C7 PG4 B 301 >MET?B 166 35.38 52.96 5.59 31.27 53.40 6.54 33.32 53.18 6.07 2 0 25.39 -999 ? CL CL A 302 >ALA~B 167 37.68 50.10 4.64 38.03 49.75 3.22 37.86 49.92 3.93 2 0 25.54 -999 ? C7 PG4 B 301 >PRO~B 168 39.81 46.98 6.88 40.15 49.12 6.32 39.98 48.05 6.60 3 0 28.68 -999 ? O5 PG4 B 301 >GLU~B 169 46.46 51.79 6.90 47.85 51.92 8.59 47.15 51.86 7.74 2 0 31.91 -999 ? O5 PG4 B 301 >GLU~B 170 46.74 47.01 6.63 46.15 46.10 8.46 46.45 46.55 7.55 2 0 30.87 -999 ? O5 PG4 B 301 >ASN~B 171 41.39 47.53 2.21 40.15 46.69 0.70 40.77 47.11 1.45 2 0 22.71 -999 ? O5 PG4 B 301 >LEU~B 172 45.94 47.65 -1.91 47.94 47.39 -1.08 46.94 47.52 -1.50 3 0 21.39 -999 ? O5 PG4 B 301 >ILE~B 173 41.17 47.00 -4.10 40.84 46.08 -5.18 41.00 46.54 -4.64 3 0 17.35 -999 ? O5 PG4 B 301 >ALA~B 174 39.67 50.38 -1.37 39.29 50.06 0.11 39.48 50.22 -0.63 2 0 22.43 -999 ? C7 PG4 B 301 >ARG~B 175 45.69 53.20 0.78 48.17 51.53 1.50 46.93 52.36 1.14 2 0 25.20 -999 ? O5 PG4 B 301 >GLU~B 176 43.87 51.66 -6.72 45.73 52.69 -6.75 44.80 52.17 -6.73 2 0 17.36 -999 ? O5 PG4 B 301 >LEU~B 177 37.87 52.55 -5.06 37.51 50.81 -6.32 37.69 51.68 -5.69 3 0 17.06 -999 ? C7 PG4 B 301 >VAL~B 178 39.04 56.45 -2.99 38.52 56.49 -0.87 38.78 56.47 -1.93 3 0 22.09 -999 ? C7 PG4 B 301 >ASP~B 179 43.50 57.99 -2.87 44.73 56.42 -3.72 44.12 57.21 -3.30 2 0 21.11 -999 ? C7 PG4 B 301 >GLY~B 180 42.19 58.48 -7.48 42.52 57.85 -7.12 42.35 58.16 -7.30 1 0 18.45 -999 ? C7 PG4 B 301 >PHE~B 181 42.22 54.32 -9.74 39.67 53.15 -9.76 40.94 53.73 -9.75 3 0 13.91 -999 ? C7 PG4 B 301 >LYS~B 182 47.45 56.67 -7.08 47.17 61.30 -4.82 47.31 58.98 -5.95 2 0 23.38 -999 ? C7 PG4 B 301 >ILE~B 183 48.73 52.06 -6.19 48.83 51.09 -5.22 48.78 51.57 -5.71 3 0 18.93 -999 ? O5 PG4 B 301 >SER~B 184 47.90 52.38 -10.51 45.80 51.26 -10.14 46.85 51.82 -10.33 2 0 13.87 -999 ? O5 PG4 B 301 >ILE~B 185 48.70 57.17 -11.20 48.22 57.97 -12.35 48.46 57.57 -11.77 3 0 16.96 -999 ? C7 PG4 B 301 >GLU~B 186 53.04 56.38 -8.02 54.06 57.94 -9.15 53.55 57.16 -8.58 2 0 21.95 -999 ? O5 PG4 B 301 >GLY~B 187 52.57 51.62 -11.73 52.50 52.38 -12.11 52.53 52.00 -11.92 1 0 16.51 -999 ? O5 PG4 B 301 >ALA~B 188 51.78 53.03 -15.17 50.52 53.80 -15.46 51.15 53.42 -15.32 2 0 14.02 -999 ? O5 PG4 B 301 >LYS~B 189 54.64 55.57 -14.88 52.65 60.58 -11.69 53.64 58.08 -13.28 2 0 21.25 -999 ? C7 PG4 B 301 >PHE~B 190 57.81 50.61 -12.72 59.93 48.72 -12.51 58.87 49.67 -12.62 3 0 20.54 -999 ? O5 PG4 B 301 >LEU~B 191 54.44 50.30 -17.48 53.63 48.27 -16.88 54.04 49.28 -17.18 3 0 14.33 -999 ? O5 PG4 B 301 >LEU~B 192 55.31 55.11 -19.23 53.40 55.42 -20.18 54.36 55.27 -19.70 3 0 16.42 -999 ? C8 PG4 B 301 >SER~B 193 59.78 54.70 -18.35 60.03 54.47 -16.01 59.90 54.59 -17.18 2 0 21.74 -999 ? O5 PG4 B 301 >PHE~B 194 60.94 48.73 -17.62 62.65 46.52 -17.33 61.80 47.62 -17.47 3 0 21.37 -999 ? O5 PG4 B 301 >GLY~B 195 59.20 50.40 -22.21 58.84 50.07 -21.54 59.02 50.23 -21.87 1 0 18.78 -999 ? O5 PG4 B 301 >ASN~B 196 55.67 48.31 -24.65 53.82 47.21 -24.64 54.74 47.76 -24.65 2 0 13.18 -999 ? O5 PG4 B 301 >SER~B 197 57.45 44.24 -22.85 59.62 44.87 -21.94 58.53 44.55 -22.39 2 0 18.66 -999 ? O5 PG4 B 301 >GLY~B 198 57.06 41.26 -20.48 57.66 41.85 -20.44 57.36 41.55 -20.46 1 0 16.79 -999 ? O5 PG4 B 301 >ALA~B 200 58.44 45.51 -17.88 57.84 46.42 -18.93 58.14 45.97 -18.40 2 0 17.14 -999 ? O5 PG4 B 301 >VAL~B 201 55.32 43.77 -16.48 53.47 43.08 -17.42 54.39 43.42 -16.95 3 0 14.53 -999 ? O5 PG4 B 301 >VAL~B 202 57.39 41.25 -14.52 58.53 39.38 -14.86 57.96 40.31 -14.69 3 0 19.29 -999 ? O5 PG4 B 301 >GLU~B 203 61.65 44.63 -14.05 62.80 44.80 -12.29 62.23 44.72 -13.17 2 0 23.90 -999 ? O5 PG4 B 301 >LEU~B 204 55.17 46.64 -12.95 53.81 48.19 -12.10 54.49 47.41 -12.52 3 0 16.56 -999 ? O5 PG4 B 301 >TYR~B 205 54.13 40.67 -10.05 52.96 38.84 -8.31 53.55 39.76 -9.18 3 0 18.94 -999 ? O5 PG4 B 301 >TYR~B 206 59.12 40.43 -8.67 58.75 37.71 -9.09 58.93 39.07 -8.88 3 0 23.23 -999 ? O5 PG4 B 301 >HIS~B 207 58.00 48.71 -8.16 57.88 50.70 -7.51 57.94 49.70 -7.84 3 0 22.41 -999 ? O5 PG4 B 301 >LEU~B 208 53.41 46.20 -6.99 52.35 47.74 -8.10 52.88 46.97 -7.55 3 0 18.73 -999 ? O5 PG4 B 301 >LEU~B 209 55.74 41.72 -5.02 55.06 39.67 -4.62 55.40 40.69 -4.82 3 0 23.00 -999 ? O5 PG4 B 301 >SER~B 210 58.16 44.67 -2.53 59.33 46.31 -3.87 58.75 45.49 -3.20 2 0 25.79 -999 ? O5 PG4 B 301 >LYS~B 211 56.24 47.79 -1.65 55.90 53.20 -2.44 56.07 50.49 -2.05 2 0 25.66 -999 ? O5 PG4 B 301 >PHE~B 212 51.78 48.61 -2.02 52.10 51.24 -2.99 51.94 49.92 -2.51 3 0 22.71 -999 ? O5 PG4 B 301 >PRO~B 213 52.40 45.62 3.60 52.12 44.63 1.62 52.26 45.12 2.61 3 0 27.06 -999 ? O5 PG4 B 301 >ASP~B 214 49.25 40.94 -0.86 47.50 40.62 -2.10 48.37 40.78 -1.48 2 0 21.56 -999 ? O5 PG4 B 301 >PRO~B 215 45.07 43.71 0.42 46.31 42.28 1.60 45.69 43.00 1.01 3 0 23.64 -999 ? O5 PG4 B 301 >LEU~B 216 44.64 38.21 -0.70 43.06 38.74 -2.12 43.85 38.48 -1.41 3 0 22.04 -999 ? O5 PG4 B 301 >VAL~B 217 48.00 37.34 2.14 50.02 36.93 1.37 49.01 37.13 1.75 3 0 26.52 -999 ? O5 PG4 B 301 >ILE~B 218 47.12 40.77 5.64 47.35 42.05 6.14 47.23 41.41 5.89 3 0 28.90 -999 ? O5 PG4 B 301 >ALA~B 219 43.95 37.73 5.85 42.76 38.06 4.99 43.35 37.89 5.42 2 0 28.13 -999 ? O5 PG4 B 301 >LYS~B 220 45.14 34.16 5.23 44.91 29.73 0.76 45.03 31.95 3.00 2 0 28.14 -999 ? O5 PG4 B 301 >MET?B 221 48.69 34.01 6.63 48.95 31.66 4.42 48.82 32.84 5.52 2 0 31.01 -999 ? O5 PG4 B 301 >GLY~B 222 48.54 37.11 8.81 48.95 37.13 8.14 48.75 37.12 8.47 1 0 32.88 -999 ? O5 PG4 B 301 >ARG~B 223 49.58 43.72 10.88 46.90 44.61 12.07 48.24 44.17 11.48 2 0 32.60 -999 ? O3 GOL A 303 >GLU~B 224 55.34 37.69 11.34 55.46 36.20 12.81 55.40 36.95 12.07 2 0 38.89 -999 ? O5 PG4 B 301 >TYR~B 225 53.40 34.42 5.34 54.10 32.73 3.24 53.75 33.58 4.29 3 0 31.68 -999 ? O5 PG4 B 301 >ALA~B 226 52.68 39.27 4.34 51.32 39.92 4.47 52.00 39.59 4.40 2 0 29.00 -999 ? O5 PG4 B 301 >GLU~B 227 55.89 43.60 7.36 55.79 44.16 9.40 55.84 43.88 8.38 2 0 34.74 -999 ? O5 PG4 B 301 >LYS~B 228 57.81 39.14 4.97 60.28 36.19 8.48 59.05 37.67 6.72 2 0 37.32 -999 ? O5 PG4 B 301 >ILE~B 229 55.26 38.76 0.76 55.16 37.50 0.01 55.21 38.13 0.39 3 0 27.61 -999 ? O5 PG4 B 301 >THR~B 230 57.58 42.43 0.65 56.55 43.76 2.03 57.06 43.09 1.34 2 0 28.69 -999 ? O5 PG4 B 301 >GLU~B 231 61.72 43.21 4.30 61.45 43.33 6.41 61.59 43.27 5.36 2 0 35.08 -999 ? O5 PG4 B 301 >TRP~B 232 62.00 36.15 2.03 58.81 34.25 3.34 60.40 35.20 2.68 3 0 33.15 -999 ? O5 PG4 B 301 >ALA~B 233 60.39 40.32 -2.99 59.01 40.87 -3.27 59.70 40.60 -3.13 2 0 26.45 -999 ? O5 PG4 B 301 >GLU~B 234 64.06 44.73 -0.59 64.09 46.43 -1.83 64.08 45.58 -1.21 2 0 30.66 -999 ? O5 PG4 B 301 >LYS~B 235 65.65 40.65 -2.34 66.40 39.97 3.14 66.03 40.31 0.40 2 0 36.22 -999 ? O5 PG4 B 301 >ALA~B 236 64.54 38.57 -5.32 63.28 37.69 -5.30 63.91 38.13 -5.31 2 0 29.01 -999 ? O5 PG4 B 301 >THR~B 238 67.37 36.87 -10.53 68.64 35.10 -10.46 68.00 35.98 -10.49 2 0 31.83 -999 ? O5 PG4 B 301 >GLU~B 240 66.07 29.49 -10.78 67.12 27.94 -9.81 66.59 28.72 -10.29 2 0 33.94 -999 ? O5 PG4 B 301 >GLU~B 241 67.55 34.97 -6.22 68.67 36.76 -6.08 68.11 35.86 -6.15 2 0 33.20 -999 ? O5 PG4 B 301 >ARG~B 242 62.22 38.36 -10.28 62.55 41.32 -11.03 62.39 39.84 -10.66 2 0 24.60 -999 ? O5 PG4 B 301 >LYS~B 243 61.21 31.47 -9.34 62.79 26.96 -11.64 62.00 29.22 -10.49 2 0 30.65 -999 ? O5 PG4 B 301 >GLU~B 244 63.93 30.24 -3.93 63.13 28.30 -4.03 63.53 29.27 -3.98 2 0 33.47 -999 ? O5 PG4 B 301 >LEU~B 245 60.08 34.63 -4.28 59.02 36.12 -3.05 59.55 35.38 -3.66 3 0 28.10 -999 ? O5 PG4 B 301 >ASP~B 246 56.93 32.14 -7.82 54.92 31.81 -8.51 55.92 31.97 -8.16 2 0 23.93 -999 ? O5 PG4 B 301 >GLU~B 247 58.69 26.13 -5.56 60.56 25.22 -5.85 59.62 25.68 -5.71 2 0 32.69 -999 ? O5 PG4 B 301 >LYS~B 248 57.91 29.26 -1.87 58.81 30.21 2.87 58.36 29.74 0.50 2 0 34.35 -999 ? O5 PG4 B 301 >LEU~B 249 54.29 32.37 -2.76 55.19 34.24 -2.04 54.74 33.30 -2.40 3 0 27.02 -999 ? O5 PG4 B 301 >LEU~B 250 53.23 27.73 -5.23 53.17 29.08 -7.03 53.20 28.40 -6.13 3 0 26.54 -999 ? O5 PG4 B 301 >LYS~B 251 53.61 25.57 -1.41 57.87 21.96 -3.95 55.74 23.76 -2.68 2 0 34.37 -999 ? O5 PG4 B 301 >ASP~B 252 53.60 29.26 1.78 55.37 28.83 2.85 54.49 29.05 2.31 2 0 33.36 -999 ? O5 PG4 B 301 >GLY~B 253 49.34 28.53 -0.14 49.85 29.13 -0.01 49.59 28.83 -0.08 1 0 29.10 -999 ? O5 PG4 B 301 >ALA~B 254 49.75 32.31 -0.17 50.78 33.05 0.66 50.26 32.68 0.25 2 0 27.79 -999 ? O5 PG4 B 301 >ASN~B 255 47.60 33.47 -4.15 46.85 34.72 -5.69 47.23 34.09 -4.92 2 0 20.58 -999 ? O5 PG4 B 301 >PRO~B 256 51.64 37.21 -4.11 49.44 37.17 -3.65 50.54 37.19 -3.88 3 0 22.22 -999 ? O5 PG4 B 301 >GLY~B 257 46.31 38.43 -5.86 46.66 39.01 -5.41 46.48 38.72 -5.64 1 0 18.52 -999 ? O5 PG4 B 301 >THR~B 258 46.09 42.15 -5.01 45.34 43.03 -3.18 45.71 42.59 -4.10 2 0 19.50 -999 ? O5 PG4 B 301 >ILE~B 259 50.92 42.06 -5.81 51.74 43.10 -5.27 51.33 42.58 -5.54 3 0 19.69 -999 ? O5 PG4 B 301 >ALA~B 260 48.43 41.08 -9.49 47.95 39.66 -9.60 48.19 40.37 -9.55 2 0 15.49 -999 ? O5 PG4 B 301 >ASP~B 261 44.18 43.32 -8.54 43.21 41.51 -8.08 43.70 42.41 -8.31 2 0 14.73 -999 ? O5 PG4 B 301 >LEU~B 262 48.04 46.72 -8.05 47.30 47.75 -6.29 47.67 47.24 -7.17 3 0 16.31 -999 ? O5 PG4 B 301 >THR~B 263 49.62 45.24 -12.01 51.22 43.80 -12.04 50.42 44.52 -12.03 2 0 14.41 -999 ? O5 PG4 B 301 >ALA~B 264 46.63 44.85 -14.31 45.47 43.88 -14.13 46.05 44.36 -14.22 2 0 9.26 -999 ? O5 PG4 B 301 >SER~B 265 45.22 48.31 -13.40 45.69 48.80 -11.08 45.46 48.55 -12.24 2 0 12.23 -999 ? O5 PG4 B 301 >SER~B 266 48.69 49.91 -14.09 50.00 49.72 -12.07 49.35 49.82 -13.08 2 0 13.95 -999 ? O5 PG4 B 301 >ILE~B 267 48.78 46.61 -17.67 49.16 45.33 -18.16 48.97 45.97 -17.92 3 0 8.96 -999 ? O5 PG4 B 301 >PHE~B 268 43.06 49.98 -18.53 41.01 51.37 -19.90 42.03 50.67 -19.21 3 0 4.96 -999 ? C7 PG4 B 301 >LEU~B 269 46.55 53.59 -16.16 44.87 54.34 -14.96 45.71 53.96 -15.56 3 0 11.09 -999 ? C7 PG4 B 301 >ALA~B 270 49.77 52.75 -19.36 50.96 51.87 -18.92 50.36 52.31 -19.14 2 0 12.05 -999 ? O5 PG4 B 301 >LEU~B 271 47.15 50.13 -22.58 47.67 48.07 -23.19 47.41 49.10 -22.89 3 0 7.19 -999 ? C8 PG4 B 301 >ALA~B 272 45.75 54.30 -22.55 44.56 54.53 -21.62 45.15 54.41 -22.09 2 0 8.34 -999 ? C6 PG4 B 301 >GLU~B 273 50.35 58.24 -20.82 49.18 60.04 -20.85 49.77 59.14 -20.83 2 0 15.48 -999 ? C6 PG4 B 301 >GLY~B 274 50.56 55.26 -24.88 50.82 55.06 -24.09 50.69 55.16 -24.49 1 0 13.13 -999 ? O1 PG4 B 301 >TRP~B 275 54.83 51.03 -21.96 53.39 47.56 -20.81 54.11 49.29 -21.39 3 0 13.59 -999 ? O5 PG4 B 301 >ARG~B 276 54.41 54.42 -28.55 51.61 55.71 -28.08 53.01 55.06 -28.32 2 0 13.79 -999 ? O1 PG4 B 301 >ALA~C 45 52.82 80.64 60.56 52.02 81.93 60.53 52.42 81.28 60.55 2 0 36.76 -999 ? O2 GOL A 303 >ALA~C 47 54.64 76.52 58.82 55.91 76.82 59.64 55.28 76.67 59.23 2 0 35.72 -999 ? O3 GOL A 303 >ALA~C 48 51.99 75.93 61.50 51.51 77.03 62.43 51.75 76.48 61.97 2 0 34.77 -999 ? O2 GOL A 303 >GLY~C 49 49.11 74.77 59.24 49.89 74.45 59.32 49.50 74.61 59.28 1 0 30.20 -999 ? O2 GOL A 303 >ALA~C 50 51.42 72.03 58.00 52.59 72.29 57.08 52.00 72.16 57.54 2 0 29.83 -999 ? O3 GOL A 303 >PHE~C 51 52.73 70.89 63.99 54.25 69.87 66.12 53.49 70.38 65.06 3 0 34.90 -999 ? O2 GOL A 303 >PRO~C 52 47.99 69.29 61.76 50.03 68.43 61.40 49.01 68.86 61.58 3 0 29.14 -999 ? O2 GOL A 303 >ALA~C 53 51.28 66.74 58.05 51.34 67.58 56.77 51.31 67.16 57.41 2 0 26.85 -999 ? O3 GOL A 303 >PHE~C 54 55.84 69.22 59.12 56.52 71.26 57.28 56.18 70.24 58.20 3 0 32.02 -999 ? O3 GOL A 303 >LEU~C 55 52.48 64.84 63.33 52.69 66.05 65.15 52.58 65.45 64.24 3 0 32.42 -999 ? O2 GOL A 303 >GLU~C 56 50.87 60.93 58.16 49.36 61.01 56.66 50.11 60.97 57.41 2 0 23.86 -999 ? O3 GOL A 303 >VAL~C 57 55.56 62.15 57.81 56.52 63.58 56.45 56.04 62.87 57.13 3 0 29.20 -999 ? O3 GOL A 303 >ALA~C 58 57.42 61.85 61.13 57.27 62.83 62.33 57.34 62.34 61.73 2 0 33.56 -999 ? O3 GOL A 303 >GLU~C 59 53.19 57.43 62.36 52.65 56.51 64.19 52.92 56.97 63.28 2 0 31.64 -999 ? O3 GOL A 303 >LYS~C 60 54.73 57.10 58.47 48.97 56.91 58.56 51.85 57.00 58.51 2 0 24.92 -999 ? O3 GOL A 303 >ARG~C 61 60.34 56.95 59.06 61.38 57.82 61.81 60.86 57.39 60.43 2 0 35.88 -999 ? O3 GOL A 303 >ILE~C 62 54.38 58.81 53.44 53.86 59.17 54.19 54.12 58.99 53.81 3 0 25.25 -999 ? O3 GOL A 303 >ILE~C 63 58.88 61.39 50.36 59.75 62.14 51.17 59.31 61.76 50.76 3 0 28.39 -999 ? O3 GOL A 303 >GLY~C 64 55.38 62.42 48.01 55.18 62.30 48.80 55.28 62.36 48.40 1 0 23.83 -999 ? O3 GOL A 303 >GLU~C 65 50.89 60.33 49.09 50.14 58.38 49.35 50.52 59.36 49.22 2 0 19.42 -999 ? O3 GOL A 303 >GLY~C 66 53.85 64.14 52.88 53.69 64.33 52.08 53.77 64.24 52.48 1 0 25.22 -999 ? O3 GOL A 303 >VAL~C 67 54.62 66.96 50.46 56.20 67.43 49.05 55.41 67.19 49.76 3 0 25.88 -999 ? O3 GOL A 303 >LEU~C 68 50.65 65.52 48.10 49.04 65.53 46.58 49.85 65.52 47.34 3 0 19.64 -999 ? O3 GOL A 303 >ARG~C 69 48.11 64.68 55.25 46.56 64.44 57.91 47.33 64.56 56.58 2 0 23.67 -999 ? O2 GOL A 303 >ALA~C 70 51.46 69.74 53.49 52.96 69.71 53.63 52.21 69.73 53.56 2 0 26.88 -999 ? O3 GOL A 303 >GLU~C 73 46.71 69.39 55.78 47.28 68.50 57.63 47.00 68.94 56.71 2 0 25.18 -999 ? O2 GOL A 303 >SER~C 74 48.70 74.68 54.17 50.58 75.83 53.16 49.64 75.26 53.67 2 0 28.37 -999 ? O3 GOL A 303 >MET?C 75 46.33 75.95 51.42 46.83 75.15 47.25 46.58 75.55 49.33 2 0 23.11 -999 ? O3 GOL A 303 >HIS~C 84 55.65 78.96 52.05 55.79 80.92 52.80 55.72 79.94 52.43 3 0 33.85 -999 ? O3 GOL A 303 >PHE~C 85 55.94 72.97 45.76 56.63 70.52 44.60 56.28 71.75 45.18 3 0 27.07 -999 ? O3 GOL A 303 >GLY~C 86 59.76 74.36 47.81 59.25 74.39 48.46 59.51 74.37 48.13 1 0 31.94 -999 ? O3 GOL A 303 >ALA~C 87 59.91 74.58 51.60 59.25 75.62 52.45 59.58 75.10 52.03 2 0 33.80 -999 ? O3 GOL A 303 >PHE~C 88 55.49 72.32 52.46 54.00 74.17 53.96 54.74 73.24 53.21 3 0 29.61 -999 ? O3 GOL A 303 >LEU~C 89 59.95 70.10 47.80 60.24 68.65 46.19 60.10 69.37 47.00 3 0 29.76 -999 ? O3 GOL A 303 >LEU~C 90 63.59 71.75 51.44 65.30 72.60 50.40 64.44 72.17 50.92 3 0 35.83 -999 ? O3 GOL A 303 >LEU~C 91 60.78 70.69 55.56 61.39 72.56 56.44 61.09 71.63 56.00 3 0 34.98 -999 ? O3 GOL A 303 >VAL~C 92 59.43 66.60 54.29 57.50 65.99 53.48 58.47 66.29 53.89 3 0 30.04 -999 ? O3 GOL A 303 >PRO~C 93 62.40 65.21 51.30 61.86 64.82 53.44 62.13 65.02 52.37 3 0 32.15 -999 ? O3 GOL A 303 >LEU~C 94 64.81 67.16 56.59 66.52 68.01 55.60 65.67 67.59 56.09 3 0 37.46 -999 ? O3 GOL A 303 >ILE~C 95 59.83 66.00 58.53 59.75 66.96 59.44 59.79 66.48 58.98 3 0 33.95 -999 ? O3 GOL A 303 >SER~C 96 60.90 61.76 57.55 62.10 61.20 55.54 61.50 61.48 56.54 2 0 32.99 -999 ? O3 GOL A 303 >SER~C 97 64.40 61.24 59.08 65.32 60.83 56.91 64.86 61.04 57.99 2 0 36.43 -999 ? O3 GOL A 303 >TRP~C 98 60.88 61.55 62.52 61.19 60.85 66.39 61.04 61.20 64.45 3 0 37.52 -999 ? O3 GOL A 303 >ASP~C 99 64.24 59.43 65.10 63.34 58.28 63.57 63.79 58.86 64.33 2 0 38.52 -999 ? O3 GOL A 303 >ALA~C 100 68.44 59.88 62.71 68.60 60.12 61.20 68.52 60.00 61.96 2 0 41.40 -999 ? O3 GOL A 303 >GLY~C 101 70.94 61.87 64.82 70.43 62.39 64.39 70.68 62.13 64.61 1 0 45.48 -999 ? O3 GOL A 303 >GLY~C 102 72.60 65.24 64.19 72.31 64.70 63.58 72.46 64.97 63.89 1 0 46.89 -999 ? O3 GOL A 303 >MET?C 103 72.56 67.27 60.96 74.97 70.51 60.53 73.76 68.89 60.74 2 0 48.16 -999 ? O3 GOL A 303 >VAL~C 104 74.77 64.89 58.99 76.95 64.51 58.80 75.86 64.70 58.89 3 0 47.05 -999 ? O3 GOL A 303 >ASP~C 105 72.63 61.46 61.62 74.43 61.00 62.61 73.53 61.23 62.11 2 0 47.14 -999 ? O3 GOL A 303 >ILE~C 106 68.84 64.57 59.87 67.73 65.17 60.61 68.28 64.87 60.24 3 0 41.14 -999 ? O3 GOL A 303 >ALA~C 107 70.57 64.63 55.72 71.59 65.69 55.38 71.08 65.16 55.55 2 0 41.93 -999 ? O3 GOL A 303 >GLU~C 108 74.62 61.22 54.69 76.39 60.50 55.59 75.50 60.86 55.14 2 0 45.80 -999 ? O3 GOL A 303 >ALA~C 109 69.20 59.25 56.05 68.77 59.15 57.53 68.99 59.20 56.79 2 0 39.65 -999 ? O3 GOL A 303 >ALA~C 110 66.88 61.60 54.16 66.81 63.13 54.39 66.84 62.37 54.28 2 0 36.82 -999 ? O3 GOL A 303 >ARG~C 111 72.32 61.06 49.32 75.04 62.25 48.51 73.68 61.65 48.91 2 0 42.53 -999 ? O3 GOL A 303 >ASN~C 112 69.03 56.52 52.69 71.07 56.00 52.40 70.05 56.26 52.55 2 0 39.68 -999 ? O3 GOL A 303 >ARG~C 113 63.30 57.81 55.50 64.22 56.98 58.32 63.76 57.40 56.91 2 0 36.12 -999 ? O3 GOL A 303 >LEU~C 114 65.36 60.97 48.59 64.40 62.94 48.97 64.88 61.95 48.78 3 0 32.84 -999 ? O3 GOL A 303 >ARG~C 115 70.29 56.84 47.14 73.26 57.60 47.29 71.77 57.22 47.22 2 0 40.31 -999 ? O3 GOL A 303 >ARG~C 116 65.61 52.84 51.20 67.68 50.55 51.09 66.64 51.70 51.15 2 0 36.75 -999 ? O3 GOL A 303 >THR~C 117 60.86 56.26 46.99 61.21 58.39 46.78 61.03 57.32 46.89 2 0 28.50 -999 ? O3 GOL A 303 >ASP~C 118 57.98 53.86 44.26 56.01 54.50 44.84 57.00 54.18 44.55 2 0 23.23 -999 ? O3 GOL A 303 >PHE~C 119 55.88 55.25 39.41 53.60 53.61 39.11 54.74 54.43 39.26 3 0 21.19 -999 ? O3 GOL A 303 >ARG~C 120 52.31 54.13 43.73 52.90 51.65 42.02 52.61 52.89 42.87 2 0 20.34 -999 ? O3 GOL A 303 >ASP~C 121 57.58 59.40 45.85 57.25 58.19 47.58 57.41 58.79 46.72 2 0 24.99 -999 ? O3 GOL A 303 >SER~C 122 57.19 61.82 42.06 59.07 60.51 41.14 58.13 61.16 41.60 2 0 25.45 -999 ? O3 GOL A 303 >LEU~C 123 52.74 60.72 40.49 52.89 59.79 38.51 52.82 60.26 39.50 3 0 19.11 -999 ? O3 GOL A 303 >SER~C 124 52.42 63.16 44.37 51.83 61.26 45.70 52.13 62.21 45.04 2 0 19.54 -999 ? O3 GOL A 303 >VAL~C 125 55.13 65.83 44.24 57.27 66.01 44.73 56.20 65.92 44.48 3 0 24.38 -999 ? O3 GOL A 303 >LEU~C 126 54.10 65.74 39.47 54.13 66.39 37.36 54.11 66.06 38.42 3 0 21.81 -999 ? O3 GOL A 303 >GLU~C 127 48.10 66.24 42.12 46.80 65.10 43.36 47.45 65.67 42.74 2 0 15.46 -999 ? O3 GOL A 303 >ALA~C 128 51.58 69.19 44.78 52.49 68.75 45.94 52.03 68.97 45.36 2 0 22.67 -999 ? O3 GOL A 303 >PHE~C 129 55.21 72.03 40.59 56.25 74.14 39.06 55.73 73.08 39.82 3 0 26.59 -999 ? O3 GOL A 303 >LEU~C 131 48.09 71.82 44.18 46.52 70.31 44.24 47.30 71.06 44.21 3 0 19.52 -999 ? O3 GOL A 303 >SER~C 132 50.69 75.33 44.58 52.62 73.94 44.40 51.65 74.64 44.49 2 0 25.26 -999 ? O3 GOL A 303 >ASN~C 133 51.21 76.69 39.90 53.08 75.74 39.57 52.14 76.22 39.73 2 0 26.17 -999 ? O3 GOL A 303 >LYS~C 148 52.76 63.37 29.24 50.53 65.19 24.59 51.64 64.28 26.92 2 0 23.05 -999 ? O3 GOL A 303 >THR~C 149 55.38 63.83 31.97 56.38 65.55 32.81 55.88 64.69 32.39 2 0 24.49 -999 ? O3 GOL A 303 >GLU~C 150 50.86 60.95 35.10 48.90 61.68 35.55 49.88 61.31 35.33 2 0 15.82 -999 ? O3 GOL A 303 >GLU~C 151 52.19 57.96 29.50 51.62 58.43 27.50 51.90 58.19 28.50 2 0 21.05 -999 ? O3 GOL A 303 >GLU~C 152 57.82 59.87 29.27 57.73 57.92 28.44 57.77 58.89 28.85 2 0 26.02 -999 ? O3 GOL A 303 >ILE~C 153 56.87 60.01 36.09 57.02 61.05 37.06 56.94 60.53 36.57 3 0 23.33 -999 ? O3 GOL A 303 >ALA~C 154 54.92 56.01 35.45 53.45 56.08 35.03 54.18 56.05 35.24 2 0 20.04 -999 ? O3 GOL A 303 >GLN~C 155 54.70 54.49 30.46 53.46 52.81 31.00 54.08 53.65 30.73 2 0 21.72 -999 ? O3 GOL A 303 >LYS~C 157 59.19 54.10 37.16 55.90 50.56 36.50 57.54 52.33 36.83 2 0 23.37 -999 ? O3 GOL A 303 >ILE~C 158 61.32 58.38 36.82 61.82 59.18 35.82 61.57 58.78 36.32 3 0 27.84 -999 ? O3 GOL A 303 >ASN~C 159 61.95 56.72 42.55 64.00 57.07 43.02 62.97 56.90 42.79 2 0 30.46 -999 ? O3 GOL A 303 >LEU~C 160 61.06 61.44 44.64 60.35 63.48 45.16 60.70 62.46 44.90 3 0 27.89 -999 ? O3 GOL A 303 >TYR~C 161 67.57 59.93 44.29 70.35 59.96 44.16 68.96 59.95 44.23 3 0 35.58 -999 ? O3 GOL A 303 >GLU~C 162 65.96 57.49 39.94 64.94 55.62 39.68 65.45 56.56 39.81 2 0 31.19 -999 ? O3 GOL A 303 >TRP~C 163 61.42 64.24 37.00 58.28 65.79 38.84 59.85 65.02 37.92 3 0 26.94 -999 ? O3 GOL A 303 >MET?C 164 65.42 65.33 40.62 63.38 67.31 42.33 64.40 66.32 41.48 2 0 31.16 -999 ? O3 GOL A 303 >LYS~C 165 68.64 63.94 39.15 72.31 59.22 39.40 70.47 61.58 39.28 2 0 38.47 -999 ? O3 GOL A 303 >MET?C 166 67.37 65.15 35.79 65.45 61.81 34.07 66.41 63.48 34.93 2 0 32.17 -999 ? O3 GOL A 303 >ALA~C 167 66.54 68.68 36.79 66.25 69.13 38.21 66.39 68.90 37.50 2 0 34.26 -999 ? O3 GOL A 303 >PRO~C 168 66.01 72.66 35.12 67.70 71.19 35.38 66.85 71.93 35.25 3 0 35.99 -999 ? O3 GOL A 303 >GLU~C 169 72.95 71.36 35.99 72.37 71.38 33.94 72.66 71.37 34.96 2 0 41.05 -999 ? O3 GOL A 303 >GLU~C 170 69.87 77.86 36.59 68.91 78.44 34.81 69.39 78.15 35.70 2 0 40.77 -999 ? O3 GOL A 303 >ASN~C 171 66.37 72.83 39.75 64.65 72.34 40.90 65.51 72.58 40.32 2 0 34.04 -999 ? O3 GOL A 303 >LEU~C 172 68.65 75.65 44.62 69.83 77.46 44.21 69.24 76.56 44.41 3 0 40.35 -999 ? O3 GOL A 303 >ILE~C 173 64.46 72.43 45.72 63.31 72.73 46.36 63.89 72.58 46.04 3 0 34.17 -999 ? O3 GOL A 303 >ALA~C 174 66.73 69.27 43.16 66.58 69.33 41.65 66.65 69.30 42.41 2 0 34.75 -999 ? O3 GOL A 303 >ARG~C 175 73.41 72.14 43.70 73.49 74.92 42.39 73.45 73.53 43.04 2 0 43.25 -999 ? O3 GOL A 303 >GLU~C 176 69.08 70.81 49.48 70.88 71.79 49.92 69.98 71.30 49.70 2 0 41.05 -999 ? O3 GOL A 303 >LEU~C 177 66.09 66.28 46.62 64.34 67.34 47.49 65.22 66.81 47.06 3 0 33.61 -999 ? O3 GOL A 303 >VAL~C 178 70.16 64.50 45.12 70.39 64.33 42.92 70.27 64.41 44.02 3 0 37.35 -999 ? O3 GOL A 303 >ASP~C 179 74.06 66.82 46.41 73.52 68.67 47.39 73.79 67.75 46.90 2 0 41.97 -999 ? O3 GOL A 303 >GLY~C 180 72.44 65.04 50.62 72.40 65.75 50.25 72.42 65.39 50.44 1 0 40.97 -999 ? O3 GOL A 303 >PHE~C 181 69.07 67.79 52.26 66.63 66.60 51.54 67.85 67.19 51.90 3 0 37.58 -999 ? O3 GOL A 303 >LYS~C 182 74.81 70.08 51.08 79.23 67.79 48.01 77.02 68.93 49.54 2 0 47.33 -999 ? O3 GOL A 303 >ILE~C 183 72.61 74.31 49.88 72.30 75.14 48.75 72.46 74.73 49.32 3 0 43.37 -999 ? O3 GOL A 303 >SER~C 184 71.36 73.17 54.05 69.18 72.42 53.19 70.27 72.79 53.62 2 0 40.78 -999 ? O3 GOL A 303 >ILE~C 185 75.10 70.36 55.56 74.96 69.47 56.74 75.03 69.92 56.15 3 0 46.25 -999 ? O3 GOL A 303 >GLU~C 186 77.78 75.95 52.99 77.85 76.23 50.83 77.82 76.09 51.91 2 0 49.12 -999 ? O3 GOL A 303 >GLY~C 187 73.72 76.70 55.96 74.08 76.14 56.40 73.90 76.42 56.18 1 0 47.26 -999 ? O3 GOL A 303 >ALA~C 188 73.17 75.09 59.36 72.75 73.66 59.63 72.96 74.38 59.50 2 0 46.83 -999 ? O3 GOL A 303 >LYS~C 189 76.92 75.35 60.08 79.74 70.33 57.43 78.33 72.84 58.76 2 0 51.04 -999 ? O3 GOL A 303 >PHE~C 190 76.27 81.15 57.90 76.29 83.95 57.80 76.28 82.55 57.85 3 0 52.59 -999 ? O3 GOL A 303 >LEU~C 191 72.62 78.56 61.59 70.84 79.28 60.53 71.73 78.92 61.06 3 0 48.67 -999 ? O3 GOL A 303 >LEU~C 192 76.14 76.03 64.44 74.60 74.58 65.01 75.37 75.30 64.72 3 0 51.92 -999 ? O3 GOL A 303 >SER~C 193 79.02 79.88 63.85 79.15 81.13 61.76 79.08 80.51 62.81 2 0 55.81 -999 ? O3 GOL A 303 >PHE~C 194 75.82 83.90 63.91 76.48 85.76 61.91 76.15 84.83 62.91 3 0 55.60 -999 ? O3 GOL A 303 >SER~C 197 69.71 85.08 67.40 71.27 86.29 66.03 70.49 85.69 66.72 2 0 54.25 -999 ? O3 GOL A 303 >GLY~C 198 67.11 86.22 64.85 67.96 86.34 64.91 67.54 86.28 64.88 1 0 50.82 -999 ? O3 GOL A 303 >ALA~C 200 71.82 84.70 62.66 71.91 83.57 63.68 71.86 84.13 63.17 2 0 52.17 -999 ? O3 GOL A 303 >VAL~C 201 68.89 83.71 60.40 66.90 82.89 60.87 67.90 83.30 60.64 3 0 47.71 -999 ? O3 GOL A 303 >VAL~C 202 69.10 87.08 58.54 68.47 89.17 58.87 68.78 88.12 58.70 3 0 50.24 -999 ? O3 GOL A 303 >GLU~C 203 74.27 87.94 59.75 74.46 89.50 58.32 74.36 88.72 59.04 2 0 54.98 -999 ? O3 GOL A 303 >LEU~C 204 71.70 81.99 57.24 71.99 80.01 56.38 71.85 81.00 56.81 3 0 47.93 -999 ? O3 GOL A 303 >TYR~C 205 67.34 85.66 53.66 65.77 86.52 51.54 66.56 86.09 52.60 3 0 45.27 -999 ? O3 GOL A 303 >TYR~C 206 70.88 89.36 53.48 68.59 90.97 53.56 69.74 90.16 53.52 3 0 50.39 -999 ? O3 GOL A 303 >HIS~C 207 76.51 83.16 53.10 78.26 82.18 52.47 77.38 82.67 52.78 3 0 51.96 -999 ? O3 GOL A 303 >LEU~C 208 71.18 81.70 51.23 71.40 79.72 52.19 71.29 80.71 51.71 3 0 45.66 -999 ? O3 GOL A 303 >LEU~C 209 70.32 86.52 49.26 68.62 87.59 48.49 69.47 87.05 48.87 3 0 47.06 -999 ? O3 GOL A 303 >SER~C 210 74.40 86.22 47.30 75.96 86.49 49.13 75.18 86.36 48.21 2 0 51.88 -999 ? O3 GOL A 303 >LYS~C 211 75.55 82.65 46.61 79.06 78.38 48.00 77.30 80.52 47.30 2 0 50.43 -999 ? O3 GOL A 303 >PHE~C 212 73.19 79.18 45.92 74.98 77.54 47.31 74.09 78.36 46.61 3 0 45.76 -999 ? O3 GOL A 303 >PRO~C 213 72.46 82.24 40.33 71.08 82.39 42.14 71.77 82.32 41.24 3 0 45.11 -999 ? O3 GOL A 303 >ASP~C 214 66.09 82.86 43.74 64.53 81.79 44.65 65.31 82.33 44.20 2 0 39.26 -999 ? O3 GOL A 303 >PRO~C 215 65.53 77.99 41.95 65.76 79.95 40.89 65.65 78.97 41.42 3 0 38.18 -999 ? O3 GOL A 303 >LEU~C 216 61.35 81.28 42.39 59.89 79.89 43.24 60.62 80.59 42.82 3 0 35.25 -999 ? O3 GOL A 303 >VAL~C 217 63.54 84.63 40.25 64.64 86.14 41.43 64.09 85.38 40.84 3 0 40.84 -999 ? O3 GOL A 303 >ILE~C 218 65.83 82.13 36.65 66.97 81.51 36.42 66.40 81.82 36.53 3 0 40.40 -999 ? O3 GOL A 303 >ALA~C 219 61.52 82.21 35.64 60.68 81.14 36.30 61.10 81.68 35.97 2 0 35.51 -999 ? O3 GOL A 303 >LYS~C 220 59.94 85.51 36.62 56.10 88.54 39.25 58.02 87.03 37.93 2 0 37.79 -999 ? O3 GOL A 303 >MET?C 221 62.70 88.05 35.81 60.87 89.85 37.56 61.78 88.95 36.69 2 0 41.78 -999 ? O3 GOL A 303 >GLY~C 222 65.29 86.16 33.79 65.41 86.18 34.62 65.35 86.17 34.20 1 0 42.50 -999 ? O3 GOL A 303 >ARG~C 223 71.04 81.86 33.14 69.14 80.61 31.03 70.09 81.23 32.09 2 0 42.62 -999 ? O3 GOL A 303 >GLU~C 224 70.97 88.23 31.89 71.19 89.60 30.29 71.08 88.92 31.09 2 0 49.65 -999 ? O3 GOL A 303 >TYR~C 225 66.14 90.92 37.84 65.04 92.39 39.95 65.59 91.65 38.89 3 0 46.26 -999 ? O3 GOL A 303 >ALA~C 226 68.50 86.71 39.09 68.11 85.29 38.69 68.31 86.00 38.89 2 0 43.80 -999 ? O3 GOL A 303 >GLU~C 227 74.15 85.89 37.18 74.72 85.40 35.17 74.44 85.64 36.18 2 0 49.33 -999 ? O3 GOL A 303 >LYS~C 228 72.20 90.61 39.52 75.66 93.88 38.13 73.93 92.24 38.82 2 0 55.10 -999 ? O3 GOL A 303 >ILE~C 229 69.21 88.83 42.92 68.15 89.49 43.69 68.68 89.16 43.30 3 0 46.95 -999 ? O3 GOL A 303 >THR~C 230 73.31 87.78 44.04 73.71 86.09 42.75 73.51 86.94 43.40 2 0 48.92 -999 ? O3 GOL A 303 >GLU~C 231 76.90 90.17 40.96 77.10 90.59 38.89 77.00 90.38 39.93 2 0 54.15 -999 ? O3 GOL A 303 >TRP~C 232 72.66 94.69 42.47 68.97 94.61 41.12 70.81 94.65 41.79 3 0 52.14 -999 ? O3 GOL A 303 >ALA~C 233 73.27 90.81 47.80 72.65 89.41 47.77 72.96 90.11 47.79 2 0 50.72 -999 ? O3 GOL A 303 >GLU~C 234 78.16 90.11 45.93 79.59 89.06 44.77 78.87 89.58 45.35 2 0 55.61 -999 ? O3 GOL A 303 >LYS~C 235 77.48 94.07 48.06 79.21 94.54 42.34 78.34 94.30 45.20 2 0 58.34 -999 ? O3 GOL A 303 >ALA~C 236 74.46 94.69 50.32 73.00 94.44 49.91 73.73 94.57 50.11 2 0 54.63 -999 ? O3 GOL A 303 >ARG~C 237 79.79 93.35 53.92 80.11 90.33 54.25 79.95 91.84 54.08 2 0 58.52 -999 ? O3 GOL A 303 >THR~C 238 74.61 96.71 56.14 75.25 98.71 55.51 74.93 97.71 55.83 2 0 60.42 -999 ? O3 GOL A 303 >GLU~C 240 69.87 101.90 57.04 67.77 101.64 57.33 68.82 101.77 57.19 2 0 58.30 -999 ? O3 GOL A 303 >GLU~C 241 74.19 99.17 52.15 76.16 98.46 51.85 75.17 98.81 52.00 2 0 59.97 -999 ? O3 GOL A 303 >ARG~C 242 71.91 92.89 54.77 74.01 90.98 55.93 72.96 91.93 55.35 2 0 54.72 -999 ? O3 GOL A 303 >LYS~C 243 66.45 97.25 53.45 67.79 98.68 59.17 67.12 97.97 56.31 2 0 56.76 -999 ? O3 GOL A 303 >GLU~C 244 68.29 101.22 50.69 70.10 102.32 50.40 69.20 101.77 50.55 2 0 58.42 -999 ? O3 GOL A 303 >LEU~C 245 68.86 94.79 48.74 69.47 92.92 47.82 69.17 93.86 48.28 3 0 51.22 -999 ? O3 GOL A 303 >ASP~C 246 64.07 94.25 51.27 65.04 92.67 52.33 64.56 93.46 51.80 2 0 48.57 -999 ? O3 GOL A 303 >GLU~C 247 62.25 98.94 50.47 62.65 100.89 51.19 62.45 99.92 50.83 2 0 53.13 -999 ? O3 GOL A 303 >LYS~C 248 64.18 96.94 45.14 65.73 98.36 40.96 64.96 97.65 43.05 2 0 51.47 -999 ? O3 GOL A 303 >LEU~C 249 63.51 92.22 45.97 65.61 91.56 45.86 64.56 91.89 45.91 3 0 46.29 -999 ? O3 GOL A 303 >LEU~C 250 59.26 94.85 47.56 59.12 93.67 49.43 59.19 94.26 48.49 3 0 45.29 -999 ? O3 GOL A 303 >LYS~C 251 59.35 97.15 43.63 58.42 101.45 40.82 58.89 99.30 42.23 2 0 49.94 -999 ? C3 GOL A 303 >GLY~C 253 58.28 92.01 42.10 59.09 91.92 41.99 58.68 91.96 42.04 1 0 42.00 -999 ? O3 GOL A 303 >ALA~C 254 61.07 89.44 42.45 62.46 89.73 41.91 61.76 89.58 42.18 2 0 42.83 -999 ? O3 GOL A 303 >ASN~C 255 59.17 86.52 45.54 58.86 85.53 47.40 59.01 86.02 46.47 2 0 38.17 -999 ? O3 GOL A 303 >PRO~C 256 64.32 87.10 47.35 63.16 85.48 46.33 63.74 86.29 46.84 3 0 41.93 -999 ? O3 GOL A 303 >GLY~C 257 61.44 82.15 47.68 62.16 82.08 47.46 61.80 82.12 47.57 1 0 37.73 -999 ? O3 GOL A 303 >THR~C 258 63.94 79.31 47.19 64.49 78.32 45.38 64.22 78.81 46.29 2 0 37.35 -999 ? O3 GOL A 303 >ILE~C 259 67.10 82.60 48.95 68.47 82.35 48.63 67.78 82.48 48.79 3 0 43.02 -999 ? O3 GOL A 303 >ALA~C 260 63.88 81.30 52.08 62.53 82.04 51.96 63.20 81.67 52.02 2 0 39.67 -999 ? O3 GOL A 303 >ASP~C 261 62.70 76.83 50.43 60.88 77.61 49.62 61.79 77.22 50.03 2 0 35.11 -999 ? O3 GOL A 303 >LEU~C 262 67.99 77.15 50.97 68.20 76.03 49.11 68.10 76.59 50.04 3 0 40.56 -999 ? O3 GOL A 303 >THR~C 263 67.06 79.16 55.07 67.10 81.31 55.39 67.08 80.23 55.23 2 0 43.87 -999 ? O3 GOL A 303 >ALA~C 264 64.16 77.15 56.65 62.80 77.03 56.07 63.48 77.09 56.36 2 0 38.72 -999 ? O3 GOL A 303 >SER~C 265 65.94 73.94 55.76 66.66 72.35 54.22 66.30 73.15 54.99 2 0 38.99 -999 ? O3 GOL A 303 >SER~C 266 69.18 75.02 57.48 70.36 76.24 55.74 69.77 75.63 56.61 2 0 44.20 -999 ? O3 GOL A 303 >ILE~C 267 65.99 77.11 60.53 65.29 78.29 61.05 65.64 77.70 60.79 3 0 43.39 -999 ? O3 GOL A 303 >PHE~C 268 64.41 70.57 60.52 63.74 67.98 61.35 64.07 69.28 60.94 3 0 39.13 -999 ? O3 GOL A 303 >LEU~C 269 70.08 70.72 59.52 69.75 69.25 57.89 69.92 69.98 58.71 3 0 42.91 -999 ? O3 GOL A 303 >ALA~C 270 70.69 73.47 63.08 70.82 74.97 62.80 70.75 74.22 62.94 2 0 47.24 -999 ? O3 GOL A 303 >LEU~C 271 66.39 73.18 65.35 65.27 75.03 65.58 65.83 74.10 65.46 3 0 44.65 -999 ? O3 GOL A 303 >ALA~C 272 68.35 69.27 65.22 68.19 68.54 63.90 68.27 68.91 64.56 2 0 43.82 -999 ? O3 GOL A 303 >GLU~C 273 74.50 70.28 65.05 74.98 68.25 64.61 74.74 69.26 64.83 2 0 49.63 -999 ? O3 GOL A 303 >GLY~C 274 71.56 71.75 68.89 71.76 72.14 68.13 71.66 71.95 68.51 1 0 50.17 -999 ? O3 GOL A 303 >TRP~C 275 72.18 77.94 66.50 69.31 79.66 64.40 70.74 78.80 65.45 3 0 50.05 -999 ? O3 GOL A 303