REMARK SOURCE hebe.pdb HEADER UNKNOWN FUNCTION 19-DEC-06 2OBN COMPND HYPOTHETICAL PROTEIN; COMPND 3 CHAIN: A, B, C, D; COMPND 4 ENGINEERED: YES; COMPND 5 MUTATION: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: ANABAENA VARIABILIS; SOURCE 3 ORGANISM_TAXID: 240292; SOURCE 4 STRAIN: ATCC 29413; SOURCE 5 GENE: YP_324013.1; 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 103 8 HET MSE A 161 8 HET MSE A 166 8 HET MSE A 194 8 HET MSE A 217 8 HET MSE A 219 8 HET MSE A 346 8 HET MSE B 103 8 HET MSE B 161 8 HET MSE B 166 8 HET MSE B 194 8 HET MSE B 217 8 HET MSE B 219 8 HET MSE B 346 8 HET MSE C 103 8 HET MSE C 161 8 HET MSE C 166 8 HET MSE C 194 8 HET MSE C 217 8 HET MSE C 219 8 HET MSE C 346 8 HET MSE D 103 8 HET MSE D 161 8 HET MSE D 166 8 HET MSE D 194 8 HET MSE D 217 8 HET MSE D 219 8 HET MSE D 346 8 HET PO4 A 349 5 HET PO4 C 349 5 HET PO4 B 349 5 HET PO4 D 349 5 HET PG4 A 350 13 HET PG4 C 350 13 HET PG4 B 350 13 HET PG4 D 350 13 SITE 1 AC1 8 ALA A 162 ILE A 163 GLY A 164 LYS A 165 SITE 1 AC2 9 ALA C 162 ILE C 163 GLY C 164 LYS C 165 SITE 1 AC3 9 ALA B 162 ILE B 163 GLY B 164 LYS B 165 SITE 1 AC4 8 ALA D 162 ILE D 163 GLY D 164 LYS D 165 SITE 1 AC5 7 GLU A 135 PRO A 136 ASN A 138 LEU A 139 SITE 1 AC6 4 GLU C 135 PRO C 136 LEU C 139 ARG C 206 SITE 1 AC7 7 THR A 111 GLU B 135 PRO B 136 ASN B 138 SITE 1 AC8 8 THR C 111 GLU D 135 PRO D 136 ALA D 137 >ASN.A 6 -21.75 54.08 45.77 -21.38 52.05 45.14 -21.56 53.06 45.45 2 0 25.67 -999 ? O1 PO4 A 349 >GLN.A 7 -17.54 51.16 46.51 -18.03 50.53 48.47 -17.79 50.85 47.49 2 0 27.60 -999 ? O1 PO4 A 349 >ARG.A 8 -15.12 57.52 51.68 -16.41 55.28 53.39 -15.76 56.40 52.53 2 0 30.34 -999 ? O2 PO4 A 349 >VAL^A 9 -11.47 55.92 45.78 -11.78 55.77 43.58 -11.63 55.84 44.68 3 0 20.83 -999 ? O2 PO4 A 349 >ALA^A 10 -7.72 56.24 46.31 -7.04 55.58 47.47 -7.38 55.91 46.89 2 0 23.10 -999 ? O2 PO4 A 349 >ILE^A 11 -5.91 57.63 42.08 -6.50 58.13 40.84 -6.21 57.88 41.46 3 0 16.75 -999 ? O2 PO4 A 349 >LEU^A 12 -1.87 53.48 42.74 -0.15 52.44 43.53 -1.01 52.96 43.14 3 0 17.63 -999 ? O3 PG4 B 350 >LEU.A 13 -1.38 58.92 40.89 -2.28 59.96 39.19 -1.83 59.44 40.04 3 0 15.96 -999 ? O2 PO4 A 349 >HIS.A 14 3.61 55.89 43.73 3.10 55.52 45.73 3.35 55.70 44.73 3 0 20.33 -999 ? C3 PG4 B 350 >GLU.A 15 7.25 58.10 39.87 8.59 56.71 39.00 7.92 57.40 39.44 2 0 17.86 -999 ? C3 PG4 B 350 >GLY.A 16 2.07 60.33 37.29 2.12 60.80 37.90 2.09 60.57 37.59 1 0 15.23 -999 ? O3 PO4 A 349 >THR.A 17 0.48 63.45 38.83 -0.20 63.92 40.85 0.14 63.69 39.84 2 0 17.28 -999 ? O2 PO4 A 349 >THR.A 18 3.00 65.73 37.06 3.77 66.79 38.76 3.39 66.26 37.91 2 0 18.16 -999 ? O2 PO4 A 349 >GLY.A 19 5.02 63.13 35.09 4.17 63.25 34.97 4.60 63.19 35.03 1 0 15.80 -999 ? O3 PO4 A 349 >THR.A 20 3.89 61.16 32.01 5.74 61.19 30.84 4.81 61.17 31.42 2 0 13.58 -999 ? O3 PO4 A 349 >ILE.A 21 3.71 56.69 34.01 4.81 56.28 34.79 4.26 56.48 34.40 3 0 14.60 -999 ? C3 PG4 B 350 >GLY~A 22 -0.44 58.79 35.05 -0.39 59.06 34.34 -0.41 58.93 34.69 1 0 12.04 -999 ? O3 PO4 A 349 >THR~A 24 -5.47 57.24 33.63 -5.78 55.06 33.56 -5.62 56.15 33.59 2 0 10.16 -999 ? O3 PO4 A 349 >GLY~A 25 -5.57 58.65 37.18 -5.59 59.05 36.47 -5.58 58.85 36.82 1 0 12.48 -999 ? O2 PO4 A 349 >LEU~A 26 -4.53 62.95 35.12 -2.65 63.82 35.86 -3.59 63.39 35.49 3 0 11.03 -999 ? O2 PO4 A 349 >ALA~A 27 -8.59 61.44 33.66 -8.54 60.49 32.47 -8.57 60.96 33.07 2 0 7.49 -999 ? O2 PO4 A 349 >LEU~A 28 -9.98 58.65 37.45 -10.36 56.57 36.93 -10.17 57.61 37.19 3 0 13.02 -999 ? O2 PO4 A 349 >LEU~A 29 -8.33 63.50 39.00 -6.96 63.06 40.64 -7.65 63.28 39.82 3 0 14.69 -999 ? O2 PO4 A 349 >ARG~A 30 -9.85 66.58 32.39 -7.32 68.13 33.36 -8.59 67.35 32.87 2 0 10.33 -999 ? O2 PO4 A 349 >TYR~A 31 -13.67 63.12 32.54 -12.97 64.78 30.45 -13.32 63.95 31.50 3 0 9.01 -999 ? O2 PO4 A 349 >SER~A 32 -15.10 60.37 37.70 -14.96 58.56 39.27 -15.03 59.47 38.49 2 0 16.30 -999 ? O1 PO4 A 349 >ALA.A 34 -17.06 58.68 42.33 -16.23 57.41 42.15 -16.64 58.05 42.24 2 0 19.56 -999 ? O1 PO4 A 349 >PRO.A 35 -17.28 58.69 46.69 -16.23 59.89 45.11 -16.76 59.29 45.90 3 0 22.91 -999 ? O2 PO4 A 349 >ILE^A 36 -11.35 60.80 43.89 -10.68 60.59 42.66 -11.01 60.69 43.27 3 0 18.49 -999 ? O2 PO4 A 349 >VAL^A 37 -10.54 60.80 48.63 -11.67 59.30 49.81 -11.10 60.05 49.22 3 0 24.38 -999 ? O2 PO4 A 349 >ALA^A 38 -6.82 60.44 47.96 -6.30 59.52 49.08 -6.56 59.98 48.52 2 0 24.00 -999 ? O2 PO4 A 349 >VAL^A 39 -4.17 60.70 45.26 -4.09 62.11 43.58 -4.13 61.40 44.42 3 0 19.47 -999 ? O2 PO4 A 349 >ILE^A 40 -1.30 57.07 46.35 -1.49 55.97 47.14 -1.39 56.52 46.74 3 0 22.69 -999 ? O3 PG4 B 350 >ASP.A 41 1.74 60.96 43.57 3.36 61.47 42.28 2.55 61.21 42.93 2 0 20.10 -999 ? O2 PO4 A 349 >ARG~A 42 7.49 56.88 46.72 6.71 54.94 44.43 7.10 55.91 45.58 2 0 19.93 -999 ? C3 PG4 B 350 >ASN~A 43 6.86 62.77 42.72 8.12 61.14 42.12 7.49 61.96 42.42 2 0 22.73 -999 ? O3 PO4 A 349 >CYH~A 44 3.79 65.29 45.10 3.54 65.25 42.31 3.66 65.27 43.71 2 0 20.51 -999 ? O2 PO4 A 349 >ALA~A 45 2.66 64.44 48.67 3.31 63.44 49.63 2.99 63.94 49.15 2 0 26.66 -999 ? O2 PO4 A 349 >GLY.A 46 1.13 67.48 50.43 1.17 67.43 49.65 1.15 67.46 50.04 1 0 27.18 -999 ? O2 PO4 A 349 >GLN.A 47 3.48 69.09 46.55 4.95 68.93 45.01 4.22 69.01 45.78 2 0 24.33 -999 ? O2 PO4 A 349 >SER~A 48 -1.95 71.28 45.67 -3.37 73.11 44.99 -2.66 72.20 45.33 2 0 23.12 -999 ? O2 PO4 A 349 >LEU~A 49 -4.75 68.22 43.14 -5.32 66.58 41.83 -5.04 67.40 42.49 3 0 18.30 -999 ? O2 PO4 A 349 >ILE~A 52 1.16 70.20 40.82 1.29 69.52 42.17 1.23 69.86 41.49 3 0 20.05 -999 ? O2 PO4 A 349 >THR~A 53 -2.16 69.93 37.40 -2.96 68.31 38.59 -2.56 69.12 37.99 2 0 15.49 -999 ? O2 PO4 A 349 >GLY~A 54 -4.86 72.57 36.81 -5.02 71.91 37.27 -4.94 72.24 37.04 1 0 16.02 -999 ? O2 PO4 A 349 >ILE.A 55 -7.50 68.60 37.99 -7.75 67.19 37.66 -7.63 67.89 37.83 3 0 14.03 -999 ? O2 PO4 A 349 >TYR.A 56 -10.91 73.95 38.94 -9.98 76.39 38.02 -10.45 75.17 38.48 3 0 19.12 -999 ? O2 PO4 A 349 >ARG.A 57 -11.38 65.24 41.83 -13.84 63.42 41.14 -12.61 64.33 41.48 2 0 17.32 -999 ? O2 PO4 A 349 >TYR.A 58 -9.28 69.56 48.22 -7.53 68.84 50.27 -8.40 69.20 49.24 3 0 25.18 -999 ? O2 PO4 A 349 >VAL.A 59 -8.09 65.75 46.79 -8.58 63.95 45.59 -8.33 64.85 46.19 3 0 21.23 -999 ? O2 PO4 A 349 >PRO.A 60 -6.72 64.22 50.69 -5.87 65.33 48.92 -6.30 64.78 49.80 3 0 24.80 -999 ? O2 PO4 A 349 >ILE^A 61 -1.11 64.78 46.73 -0.65 65.19 45.43 -0.88 64.99 46.08 3 0 22.05 -999 ? O2 PO4 A 349 >VAL^A 62 -0.40 61.48 50.13 -2.19 60.54 51.02 -1.30 61.01 50.58 3 0 26.07 -999 ? O2 PO4 A 349 >SER~A 64 1.46 56.04 50.07 2.12 55.38 52.31 1.79 55.71 51.19 2 0 26.25 -999 ? O3 PG4 B 350 >VAL~A 65 -1.56 53.74 50.33 -2.25 51.85 49.39 -1.90 52.79 49.86 3 0 23.07 -999 ? C5 PG4 B 350 >GLU~A 66 0.21 52.94 56.28 1.27 51.32 57.12 0.74 52.13 56.70 2 0 28.55 -999 ? C5 PG4 B 350 >ALA~A 67 -1.03 57.36 54.37 0.02 58.32 53.82 -0.50 57.84 54.09 2 0 29.19 -999 ? O3 PG4 B 350 >ALA~A 68 -4.26 57.28 52.34 -4.41 56.76 50.92 -4.34 57.02 51.63 2 0 26.35 -999 ? O2 PO4 A 349 >LEU~A 69 -5.35 53.86 55.77 -4.95 51.86 55.05 -5.15 52.86 55.41 3 0 28.45 -999 ? C5 PG4 B 350 >GLU~A 70 -6.11 60.40 57.95 -4.53 61.81 58.04 -5.32 61.11 58.00 2 0 32.95 -999 ? O2 PO4 A 349 >TYR~A 71 -7.92 60.98 53.46 -6.24 63.13 54.07 -7.08 62.05 53.77 3 0 28.56 -999 ? O2 PO4 A 349 >PRO.A 73 -8.34 54.67 51.25 -10.54 54.92 51.58 -9.44 54.79 51.41 3 0 27.21 -999 ? O2 PO4 A 349 >GLN.A 74 -14.78 52.08 51.13 -16.85 52.56 51.01 -15.82 52.32 51.07 2 0 28.91 -999 ? O1 PO4 A 349 >VAL^A 75 -11.12 51.04 46.35 -12.52 50.61 44.71 -11.82 50.83 45.53 3 0 22.42 -999 ? C6 PG4 B 350 >LEU^A 76 -6.33 50.62 45.71 -4.24 51.35 45.57 -5.29 50.99 45.64 3 0 19.54 -999 ? C5 PG4 B 350 >VAL^A 77 -7.36 52.28 41.44 -8.94 53.18 40.19 -8.15 52.73 40.82 3 0 17.83 -999 ? O3 PO4 A 349 >ILE^A 78 -3.53 50.51 39.07 -2.48 49.42 39.24 -3.00 49.97 39.16 3 0 13.32 -999 ? O3 PG4 B 350 >GLY.A 79 -3.85 55.21 37.72 -3.17 54.79 37.80 -3.51 55.00 37.76 1 0 14.13 -999 ? O3 PO4 A 349 >ILE.A 80 0.88 54.97 37.41 1.44 55.29 38.70 1.16 55.13 38.05 3 0 15.35 -999 ? C3 PG4 B 350 >ALA.A 81 1.29 52.42 33.85 0.45 52.31 32.60 0.87 52.37 33.23 2 0 10.40 -999 ? C3 PG4 B 350 >PRO.A 82 4.75 49.68 34.34 4.33 51.76 33.61 4.54 50.72 33.97 3 0 9.34 -999 ? C3 PG4 B 350 >GLY.A 85 7.14 46.81 31.62 6.42 46.78 31.19 6.78 46.80 31.41 1 0 5.88 -999 ? O2 PG4 B 350 >GLY.A 86 4.72 44.66 33.63 5.12 45.31 34.00 4.92 44.98 33.82 1 0 5.00 -999 ? C4 PG4 B 350 >ILE.A 87 3.61 44.15 38.28 2.49 43.54 38.93 3.05 43.84 38.61 3 0 8.72 -999 ? C5 PG4 B 350 >PRO~A 88 6.24 49.08 37.75 6.56 47.02 38.54 6.40 48.05 38.15 3 0 10.89 -999 ? C4 PG4 B 350 >ASP~A 89 10.16 45.65 42.38 11.05 44.28 40.99 10.61 44.96 41.69 2 0 13.93 -999 ? C4 PG4 B 350 >ASP~A 90 8.08 50.44 43.84 7.48 51.26 41.98 7.78 50.85 42.91 2 0 15.98 -999 ? C4 PG4 B 350 >TYR~A 91 3.23 49.01 40.90 3.18 50.90 38.82 3.21 49.95 39.86 3 0 12.90 -999 ? C4 PG4 B 350 >TRP~A 92 5.76 43.52 43.23 2.80 41.26 41.96 4.28 42.39 42.60 3 0 12.30 -999 ? C5 PG4 B 350 >GLU~A 94 2.26 51.25 46.83 2.00 52.68 48.40 2.13 51.96 47.61 2 0 21.51 -999 ? O3 PG4 B 350 >LEU~A 95 -1.08 45.57 45.33 -1.12 46.19 43.25 -1.10 45.88 44.29 3 0 14.86 -999 ? C5 PG4 B 350 >THR~A 97 -1.49 47.08 51.94 -0.12 48.67 52.61 -0.80 47.87 52.28 2 0 23.44 -999 ? C5 PG4 B 350 >ALA~A 98 -4.80 48.00 50.25 -4.93 48.51 48.79 -4.86 48.25 49.52 2 0 20.83 -999 ? C5 PG4 B 350 >LEU~A 99 -5.45 43.25 49.46 -5.71 42.83 47.35 -5.58 43.04 48.41 3 0 19.22 -999 ? C5 PG4 B 350 >ALA~A 101 -7.09 47.06 54.67 -6.54 48.43 54.36 -6.82 47.74 54.51 2 0 26.23 -999 ? C5 PG4 B 350 >GLY.A 102 -10.25 45.52 53.08 -9.82 46.01 52.67 -10.04 45.76 52.88 1 0 25.71 -999 ? C6 PG4 B 350 >MET?A 103 -10.20 47.44 49.79 -7.54 50.84 50.18 -8.87 49.14 49.99 2 0 23.89 -999 ? C5 PG4 B 350 >SER^A 104 -10.93 46.30 46.26 -13.30 45.69 46.14 -12.12 45.99 46.20 2 0 21.68 -999 ? C6 PG4 B 350 >LEU^A 105 -7.16 45.83 43.35 -5.49 45.73 44.70 -6.32 45.78 44.03 3 0 16.36 -999 ? C5 PG4 B 350 >VAL^A 106 -9.20 48.16 40.00 -10.91 49.41 39.53 -10.05 48.79 39.76 3 0 16.73 -999 ? C6 PG4 B 350 >ASN^A 107 -5.73 45.70 37.96 -3.97 45.35 36.84 -4.85 45.52 37.40 2 0 9.64 -999 ? C5 PG4 B 350 >GLY.A 108 -5.80 48.81 34.39 -5.17 48.42 34.72 -5.48 48.62 34.55 1 0 11.36 -999 ? O3 PG4 B 350 >LEU.A 109 -1.41 46.73 34.74 -0.05 47.84 36.05 -0.73 47.29 35.39 3 0 8.27 -999 ? O3 PG4 B 350 >HIS.A 110 -1.26 45.53 28.70 -1.92 46.50 26.97 -1.59 46.01 27.83 3 0 5.77 -999 ? C3 PG4 B 350 >THR.A 111 -0.72 42.17 33.63 1.22 41.72 34.46 0.25 41.94 34.04 2 0 -3.96 -999 ? C5 PG4 B 350s >PRO.A 112 -3.42 38.71 33.90 -3.20 40.74 34.88 -3.31 39.73 34.39 3 0 5.38 -999 ? C6 PG4 B 350 >LEU.A 113 -3.65 41.90 39.87 -1.97 43.31 39.82 -2.81 42.60 39.84 3 0 10.33 -999 ? C5 PG4 B 350 >ALA.A 114 -7.01 38.67 40.06 -8.35 38.78 39.31 -7.68 38.73 39.69 2 0 12.43 -999 ? C6 PG4 B 350 >ASN.A 115 -5.76 34.35 38.60 -7.85 34.22 38.19 -6.80 34.28 38.40 2 0 12.42 -999 ? C7 PG4 B 350 >ILE~A 116 -1.51 37.16 41.72 -0.34 37.93 41.29 -0.93 37.55 41.51 3 0 11.35 -999 ? C6 PG4 B 350 >PRO~A 117 -1.16 32.04 43.66 -2.21 33.91 44.29 -1.69 32.97 43.97 3 0 15.21 -999 ? C6 PG4 B 350 >ASP~A 118 0.76 36.83 47.04 2.33 35.40 47.32 1.54 36.12 47.18 2 0 17.27 -999 ? C5 PG4 B 350 >LEU~A 119 -3.22 39.77 45.05 -1.69 41.20 44.45 -2.45 40.49 44.75 3 0 14.54 -999 ? C5 PG4 B 350 >ASN~A 120 -6.35 35.53 45.32 -8.38 34.93 45.14 -7.37 35.23 45.23 2 0 17.71 -999 ? C6 PG4 B 350 >ALA~A 121 -5.43 35.40 49.76 -4.09 34.80 50.17 -4.76 35.10 49.96 2 0 20.80 -999 ? C6 PG4 B 350 >LEU~A 122 -4.53 40.07 50.86 -2.46 40.10 51.60 -3.50 40.08 51.23 3 0 21.07 -999 ? C5 PG4 B 350 >LEU~A 123 -9.36 39.14 48.07 -10.57 40.22 46.64 -9.96 39.68 47.35 3 0 19.81 -999 ? C6 PG4 B 350 >GLN.A 124 -10.64 41.03 53.84 -10.74 42.62 55.21 -10.69 41.83 54.52 2 0 27.32 -999 ? C6 PG4 B 350 >PRO.A 125 -15.29 37.74 53.51 -14.90 39.10 51.78 -15.10 38.42 52.64 3 0 27.07 -999 ? C6 PG4 B 350 >GLY.A 126 -17.46 41.52 49.37 -16.68 41.38 49.25 -17.07 41.45 49.31 1 0 26.05 -999 ? C6 PG4 B 350 >GLN.A 127 -13.63 44.05 49.77 -14.65 45.87 49.25 -14.14 44.96 49.51 2 0 24.86 -999 ? C6 PG4 B 350 >ILE^A 129 -8.59 41.56 42.21 -7.23 41.30 42.66 -7.91 41.43 42.43 3 0 14.68 -999 ? C6 PG4 B 350 >TRP^A 130 -12.75 44.26 36.25 -14.22 47.86 35.68 -13.49 46.06 35.96 3 0 16.11 -999 ? O1 PG4 A 350 >ASP^A 131 -8.03 41.96 35.37 -6.75 41.25 36.93 -7.39 41.61 36.15 2 0 9.75 -999 ? C6 PG4 B 350 >VAL.A 132 -10.07 45.98 33.36 -10.51 48.12 33.74 -10.29 47.05 33.55 3 0 13.34 -999 ? C6 PG4 B 350 >ARG.A 133 -4.79 46.92 29.78 -3.00 49.36 29.13 -3.90 48.14 29.45 2 0 8.90 -999 ? C3 PG4 B 350 >GLU.A 135 -10.19 39.37 24.45 -9.09 38.16 23.13 -9.64 38.77 23.79 2 0 -3.98 -999 ? O1 PG4 A 350s >PRO.A 136 -14.35 41.81 25.59 -13.46 39.99 26.56 -13.91 40.90 26.07 3 0 -5.72 -999 ? O1 PG4 A 350s >ALA.A 137 -15.24 36.07 26.36 -15.96 35.31 27.49 -15.60 35.69 26.93 2 0 5.46 -999 ? O1 PG4 A 350 >ASN.A 138 -17.89 33.84 23.48 -17.76 31.89 24.26 -17.83 32.87 23.87 2 0 -6.13 -999 ? O2 PG4 A 350s >LEU.A 139 -14.21 37.82 20.63 -14.15 39.67 21.77 -14.18 38.74 21.20 3 0 -3.83 -999 ? O1 PG4 A 350s >ASP.A 140 -17.33 36.17 16.29 -18.45 34.60 17.12 -17.89 35.39 16.70 2 0 7.37 -999 ? O2 PG4 A 350 >VAL.A 141 -14.19 37.79 13.83 -12.63 37.08 12.47 -13.41 37.43 13.15 3 0 8.77 -999 ? C3 PG4 A 350 >ALA.A 142 -16.20 40.87 12.81 -15.80 42.33 13.02 -16.00 41.60 12.92 2 0 12.14 -999 ? C2 PG4 A 350 >SER.A 143 -18.44 40.75 9.72 -20.35 39.92 10.87 -19.40 40.33 10.30 2 0 14.48 -999 ? C2 PG4 A 350 >GLY~A 144 -19.62 44.35 9.26 -20.00 43.77 9.68 -19.81 44.06 9.47 1 0 17.41 -999 ? C2 PG4 A 350 >ALA~A 145 -22.82 43.66 11.21 -22.96 42.60 12.30 -22.89 43.13 11.75 2 0 16.33 -999 ? C2 PG4 A 350 >ALA~A 146 -22.88 47.15 12.73 -21.69 47.85 13.32 -22.28 47.50 13.03 2 0 18.01 -999 ? O1 PG4 A 350 >ARG~A 147 -23.00 46.39 6.22 -24.32 43.65 5.76 -23.66 45.02 5.99 2 0 21.89 -999 ? C2 PG4 A 350 >THR~A 148 -27.32 47.19 9.76 -27.04 45.06 10.02 -27.18 46.13 9.89 2 0 21.54 -999 ? C2 PG4 A 350 >LEU~A 149 -27.09 49.45 14.10 -26.48 47.95 15.59 -26.78 48.70 14.85 3 0 20.90 -999 ? O1 PG4 A 350 >PRO.A 150 -31.81 51.05 14.27 -30.20 51.53 12.78 -31.00 51.29 13.52 3 0 25.92 -999 ? O1 PG4 A 350 >CYH.A 151 -28.58 54.43 14.94 -26.94 52.63 16.24 -27.76 53.53 15.59 2 0 21.29 -999 ? O1 PO4 A 349 >ARG^A 152 -26.26 60.60 13.36 -28.56 61.89 11.76 -27.41 61.24 12.56 2 0 23.60 -999 ? O1 PO4 A 349 >ARG^A 153 -23.08 51.89 14.34 -24.46 52.07 11.57 -23.77 51.98 12.96 2 0 21.78 -999 ? O1 PO4 A 349 >VAL^A 154 -19.92 58.46 15.79 -20.55 60.55 15.94 -20.24 59.50 15.86 3 0 14.34 -999 ? O1 PO4 A 349 >LEU^A 155 -15.63 56.55 15.39 -13.97 55.19 15.86 -14.80 55.87 15.63 3 0 11.40 -999 ? O1 PO4 A 349 >THR^A 156 -13.66 60.18 17.41 -14.06 60.79 19.45 -13.86 60.49 18.43 2 0 7.30 -999 ? O1 PO4 A 349 >VAL^A 157 -10.29 59.91 15.62 -11.02 59.40 13.59 -10.66 59.65 14.61 3 0 9.08 -999 ? O4 PO4 A 349 >GLY^A 158 -7.06 61.86 16.04 -6.88 61.32 15.53 -6.97 61.59 15.79 1 0 6.81 -999 ? O4 PO4 A 349 >THR.A 159 -3.74 63.20 14.86 -4.14 65.31 14.68 -3.94 64.25 14.77 2 0 9.59 -999 ? O4 PO4 A 349 >ASP.A 160 -1.16 62.88 18.52 0.68 62.16 19.33 -0.24 62.52 18.93 2 0 8.60 -999 ? O4 PO4 A 349 >MET?A 161 -2.80 59.94 21.22 -1.07 56.05 20.95 -1.94 58.00 21.09 2 0 7.18 -999 ? O3 PO4 A 349 >ALA.A 162 -3.64 61.64 24.55 -2.33 61.53 25.34 -2.98 61.59 24.94 2 0 -4.36 -999 ? O3 PO4 A 349s >ILE.A 163 -4.92 64.88 21.39 -4.52 64.45 20.11 -4.72 64.66 20.75 3 0 -4.70 -999 ? O4 PO4 A 349s >GLY~A 164 -8.93 64.61 23.96 -8.76 64.08 23.42 -8.85 64.35 23.69 1 0 -3.53 -999 ? O2 PO4 A 349s >LYS~A 165 -10.69 61.92 21.86 -6.45 59.75 20.54 -8.57 60.84 21.20 2 0 -2.78 -999 ? O4 PO4 A 349s >MET?A 166 -12.48 60.55 24.97 -12.04 58.45 28.71 -12.26 59.50 26.84 2 0 -5.76 -999 ? O1 PO4 A 349s >SER~A 167 -13.33 64.08 26.14 -11.49 64.89 27.48 -12.41 64.48 26.81 2 0 5.73 -999 ? O2 PO4 A 349 >THR~A 168 -14.79 64.88 22.75 -13.97 65.51 20.85 -14.38 65.20 21.80 2 0 8.34 -999 ? O4 PO4 A 349 >SER~A 169 -16.90 61.69 22.73 -15.84 59.83 21.54 -16.37 60.76 22.13 2 0 7.69 -999 ? O1 PO4 A 349 >LEU~A 170 -17.30 62.59 27.53 -16.81 60.91 28.83 -17.05 61.75 28.18 3 0 9.41 -999 ? O1 PO4 A 349 >GLU~A 171 -17.15 67.55 26.15 -17.92 68.63 27.78 -17.53 68.09 26.97 2 0 12.95 -999 ? O2 PO4 A 349 >LEU~A 172 -20.38 64.41 21.11 -19.45 65.50 19.45 -19.92 64.95 20.28 3 0 12.94 -999 ? O1 PO4 A 349 >HIS~A 173 -22.96 60.49 26.07 -24.34 59.43 27.24 -23.65 59.96 26.65 3 0 15.17 -999 ? O1 PO4 A 349 >TRP~A 174 -22.27 63.33 29.47 -18.64 64.46 30.43 -20.45 63.89 29.95 3 0 13.64 -999 ? O1 PO4 A 349 >ALA~A 175 -24.81 67.41 24.63 -24.01 68.06 23.54 -24.41 67.74 24.08 2 0 17.35 -999 ? O1 PO4 A 349 >ALA~A 176 -27.00 64.71 23.01 -26.51 63.43 22.36 -26.76 64.07 22.69 2 0 18.28 -999 ? O1 PO4 A 349 >LEU~A 178 -28.30 68.43 27.18 -28.52 70.33 28.19 -28.41 69.38 27.69 3 0 22.13 -999 ? O1 PO4 A 349 >ARG~A 179 -29.50 69.96 21.84 -27.37 70.37 19.60 -28.43 70.17 20.72 2 0 21.90 -999 ? O1 PO4 A 349 >GLY.A 180 -33.34 64.64 24.90 -32.74 64.49 24.41 -33.04 64.57 24.65 1 0 25.12 -999 ? O1 PO4 A 349 >TRP.A 181 -32.91 63.91 20.46 -30.26 66.07 18.54 -31.59 64.99 19.50 3 0 23.95 -999 ? O1 PO4 A 349 >ARG.A 182 -34.46 56.29 23.08 -34.82 53.96 21.09 -34.64 55.13 22.09 2 0 27.04 -999 ? O1 PO4 A 349 >SER^A 183 -27.51 58.57 23.48 -25.56 60.04 23.47 -26.53 59.30 23.47 2 0 16.92 -999 ? O1 PO4 A 349 >LYS^A 184 -24.93 56.02 24.66 -24.65 51.60 28.30 -24.79 53.81 26.48 2 0 18.49 -999 ? O1 PO4 A 349 >PHE^A 185 -19.10 57.23 26.45 -16.32 57.02 26.69 -17.71 57.13 26.58 3 0 9.76 -999 ? O1 PO4 A 349 >LEU^A 186 -19.38 52.62 23.18 -21.24 51.48 22.89 -20.31 52.05 23.04 3 0 14.16 -999 ? O1 PO4 A 349 >ALA.A 187 -15.70 52.98 26.26 -15.60 52.72 27.75 -15.65 52.85 27.01 2 0 10.63 -999 ? O1 PO4 A 349 >THR.A 188 -12.86 51.47 24.24 -13.27 52.66 22.49 -13.06 52.07 23.36 2 0 8.85 -999 ? O1 PO4 A 349 >GLY~A 189 -9.96 51.69 26.75 -10.72 51.67 27.15 -10.34 51.68 26.95 1 0 8.76 -999 ? O1 PO4 A 349 >GLN~A 190 -6.76 51.91 30.68 -4.92 51.72 31.72 -5.84 51.82 31.20 2 0 10.79 -999 ? O3 PO4 A 349 >THR~A 191 -9.97 54.73 31.48 -8.80 56.54 31.46 -9.38 55.64 31.47 2 0 7.95 -999 ? O1 PO4 A 349 >GLY~A 192 -13.34 54.92 29.80 -13.05 54.30 30.24 -13.19 54.61 30.02 1 0 8.82 -999 ? O1 PO4 A 349 >VAL~A 193 -14.28 51.46 31.09 -13.86 49.37 30.46 -14.07 50.42 30.78 3 0 12.76 -999 ? O1 PO4 A 349 >MET?A 194 -13.51 52.56 34.65 -9.43 52.53 35.93 -11.47 52.55 35.29 2 0 13.84 -999 ? O1 PO4 A 349 >LEU~A 195 -15.20 56.88 33.18 -13.95 58.58 33.70 -14.57 57.73 33.44 3 0 11.11 -999 ? O1 PO4 A 349 >GLU~A 196 -18.66 54.90 30.43 -20.55 55.76 30.68 -19.60 55.33 30.55 2 0 14.14 -999 ? O1 PO4 A 349 >GLY~A 197 -18.17 50.44 34.47 -18.10 50.51 33.67 -18.14 50.48 34.07 1 0 16.88 -999 ? O1 PO4 A 349 >ASP.A 198 -20.04 48.14 30.81 -21.28 49.70 29.91 -20.66 48.92 30.36 2 0 17.22 -999 ? O1 PO4 A 349 >GLY.A 199 -17.17 48.70 27.51 -16.96 48.00 27.99 -17.07 48.35 27.75 1 0 14.09 -999 ? O1 PG4 A 350 >VAL.A 200 -13.96 47.11 26.19 -13.74 46.27 24.16 -13.85 46.69 25.17 3 0 10.85 -999 ? O1 PG4 A 350 >ALA~A 201 -10.23 47.67 26.68 -9.44 47.25 27.90 -9.83 47.46 27.29 2 0 12.43 -999 ? O1 PG4 A 350 >LEU~A 202 -9.78 48.31 21.89 -10.31 47.66 19.89 -10.04 47.99 20.89 3 0 12.40 -999 ? O1 PG4 A 350 >ASP~A 203 -4.78 48.60 23.67 -4.98 49.09 25.71 -4.88 48.84 24.69 2 0 10.68 -999 ? C3 PG4 B 350 >ALA~A 204 -5.64 44.18 25.28 -6.10 44.17 26.72 -5.87 44.17 26.00 2 0 8.46 -999 ? C8 PG4 B 350 >VAL~A 205 -7.66 42.26 22.67 -9.77 42.48 22.11 -8.71 42.37 22.39 3 0 7.39 -999 ? O1 PG4 A 350 >ARG~A 206 -5.76 36.17 21.40 -8.07 34.21 22.04 -6.91 35.19 21.72 2 0 -3.21 -999 ? O4 PG4 A 350s >VAL~A 207 -5.50 41.37 16.73 -3.80 41.96 15.41 -4.65 41.66 16.07 3 0 11.72 -999 ? O5 PG4 A 350 >ASP~A 208 -7.49 37.13 15.29 -7.97 36.07 13.51 -7.73 36.60 14.40 2 0 8.51 -999 ? C3 PG4 A 350 >PHE~A 209 -10.72 37.17 18.24 -10.31 34.51 17.57 -10.51 35.84 17.91 3 0 -4.26 -999 ? C3 PG4 A 350s >ALA~A 210 -10.24 43.30 17.86 -8.96 44.01 17.47 -9.60 43.65 17.67 2 0 10.48 -999 ? O1 PG4 A 350 >ALA~A 211 -12.84 44.27 15.22 -12.77 44.00 13.74 -12.80 44.14 14.48 2 0 12.35 -999 ? C2 PG4 A 350 >GLY~A 212 -15.16 41.65 16.73 -14.78 42.24 17.11 -14.97 41.95 16.92 1 0 9.07 -999 ? O1 PG4 A 350 >ALA~A 213 -14.74 43.07 20.23 -13.44 43.27 20.98 -14.09 43.17 20.60 2 0 7.64 -999 ? O1 PG4 A 350 >VAL~A 214 -15.88 46.48 18.88 -14.78 48.25 18.14 -15.33 47.37 18.51 3 0 12.61 -999 ? O1 PG4 A 350 >GLU~A 215 -19.69 43.42 15.07 -19.36 42.01 13.60 -19.53 42.72 14.33 2 0 13.07 -999 ? C2 PG4 A 350 >GLN~A 216 -19.93 41.08 21.62 -18.69 39.99 22.97 -19.31 40.54 22.29 2 0 7.36 -999 ? O1 PG4 A 350 >MET?A 217 -20.33 45.97 21.92 -17.92 48.92 23.89 -19.12 47.44 22.90 2 0 13.96 -999 ? O1 PG4 A 350 >VAL~A 218 -21.92 48.09 19.23 -21.19 49.38 17.59 -21.56 48.74 18.41 3 0 16.35 -999 ? O1 PG4 A 350 >MET?A 219 -24.47 45.33 18.53 -24.54 44.86 15.20 -24.50 45.09 16.87 2 0 17.01 -999 ? O1 PG4 A 350 >ARG~A 220 -23.72 43.89 25.49 -25.14 44.23 28.23 -24.43 44.06 26.86 2 0 15.84 -999 ? O1 PG4 A 350 >TYR~A 221 -24.98 48.97 24.49 -23.82 47.69 26.70 -24.40 48.33 25.59 3 0 17.25 -999 ? O1 PG4 A 350 >GLY~A 222 -27.23 49.69 18.85 -27.74 49.39 19.29 -27.49 49.54 19.07 1 0 20.58 -999 ? O1 PG4 A 350 >ASN.A 224 -31.46 49.91 23.23 -32.31 47.94 23.27 -31.88 48.92 23.25 2 0 23.11 -999 ? O1 PG4 A 350 >TYR.A 225 -28.82 53.90 23.23 -28.73 53.13 25.91 -28.77 53.52 24.57 3 0 21.13 -999 ? O1 PO4 A 349 >ASP.A 226 -31.23 58.08 18.66 -33.23 57.82 19.18 -32.23 57.95 18.92 2 0 25.19 -999 ? O1 PO4 A 349 >ILE^A 227 -26.60 59.06 18.56 -26.00 60.32 18.86 -26.30 59.69 18.71 3 0 18.51 -999 ? O1 PO4 A 349 >LEU^A 228 -23.36 54.36 19.49 -24.64 52.65 19.78 -24.00 53.50 19.63 3 0 17.30 -999 ? O1 PO4 A 349 >HIS^A 229 -21.69 59.77 21.49 -23.21 61.13 21.02 -22.45 60.45 21.26 3 0 14.13 -999 ? O1 PO4 A 349 >ILE^A 230 -17.29 54.35 19.05 -17.81 53.76 18.58 -17.55 54.06 18.81 3 0 12.02 -999 ? O1 PO4 A 349 >GLU.A 231 -12.78 56.62 24.13 -12.11 55.65 25.89 -12.44 56.13 25.01 2 0 5.77 -999 ? O1 PO4 A 349 >GLY.A 232 -11.48 56.85 19.86 -11.43 56.72 20.67 -11.45 56.78 20.27 1 0 6.13 -999 ? O1 PO4 A 349 >GLN.A 233 -9.15 53.39 21.93 -8.81 54.30 23.83 -8.98 53.85 22.88 2 0 5.71 -999 ? O1 PO4 A 349 >GLY.A 234 -4.72 55.63 18.83 -5.29 56.17 18.78 -5.01 55.90 18.80 1 0 7.10 -999 ? O3 PO4 A 349 >SER.A 235 -3.96 57.47 15.64 -2.97 59.52 14.86 -3.47 58.50 15.25 2 0 9.13 -999 ? O4 PO4 A 349 >LEU.A 236 -4.08 56.51 10.90 -5.57 54.97 10.53 -4.82 55.74 10.71 3 0 13.48 -999 ? O4 PO4 A 349 >LEU.A 237 -0.58 60.53 12.48 -1.70 61.73 11.03 -1.14 61.13 11.75 3 0 12.58 -999 ? O4 PO4 A 349 >HIS.A 238 1.50 56.90 17.79 2.83 56.38 19.33 2.16 56.64 18.56 3 0 10.67 -999 ? O3 PO4 A 349 >PRO.A 239 5.49 56.12 15.35 3.61 55.37 14.50 4.55 55.75 14.92 3 0 14.90 -999 ? O3 PO4 A 349 >GLY.A 240 3.09 52.24 16.98 2.48 52.68 16.70 2.78 52.46 16.84 1 0 13.94 -999 ? C2 PG4 B 350 >SER.A 241 -0.69 52.51 16.88 -2.72 53.79 17.21 -1.71 53.15 17.05 2 0 9.98 -999 ? O3 PO4 A 349 >THR.A 242 -3.11 49.78 15.72 -2.58 47.68 15.65 -2.85 48.73 15.69 2 0 14.16 -999 ? O1 PG4 B 350 >ALA~A 243 -6.41 50.46 17.54 -6.52 50.99 18.96 -6.47 50.73 18.25 2 0 10.28 -999 ? O3 PO4 A 349 >THR~A 244 -8.00 52.96 15.18 -7.58 55.05 14.79 -7.79 54.00 14.99 2 0 10.12 -999 ? O4 PO4 A 349 >LEU~A 245 -7.51 49.49 11.77 -7.66 48.60 9.78 -7.59 49.05 10.77 3 0 17.12 -999 ? O4 PO4 A 349 >PRO~A 246 -8.63 47.58 15.89 -10.02 48.19 14.22 -9.32 47.88 15.06 3 0 14.77 -999 ? O1 PG4 A 350 >LEU~A 247 -12.15 52.00 16.56 -11.83 52.27 18.69 -11.99 52.13 17.63 3 0 10.84 -999 ? O1 PO4 A 349 >ILE~A 248 -12.55 52.43 11.29 -12.09 53.50 10.41 -12.32 52.97 10.85 3 0 15.43 -999 ? O4 PO4 A 349 >ARG~A 249 -12.58 47.35 8.37 -11.42 49.74 6.78 -12.00 48.54 7.57 2 0 17.61 -999 ? O4 PO4 B 349 >GLY~A 250 -16.12 46.96 14.05 -16.23 47.66 13.72 -16.18 47.31 13.89 1 0 14.78 -999 ? O1 PG4 A 350 >SER~A 251 -18.37 49.97 14.50 -17.17 52.05 14.58 -17.77 51.01 14.54 2 0 15.16 -999 ? O1 PO4 A 349 >GLN~A 252 -19.54 48.29 10.12 -18.57 48.04 8.22 -19.05 48.17 9.17 2 0 20.06 -999 ? C2 PG4 A 350 >PRO.A 253 -16.92 54.49 11.45 -19.03 53.76 11.54 -17.97 54.13 11.49 3 0 16.89 -999 ? O1 PO4 A 349 >THR.A 254 -21.73 56.84 10.14 -23.52 56.47 11.25 -22.62 56.65 10.69 2 0 20.09 -999 ? O1 PO4 A 349 >GLN^A 255 -21.79 61.47 10.79 -23.49 60.23 11.10 -22.64 60.85 10.95 2 0 19.85 -999 ? O1 PO4 A 349 >LEU^A 256 -14.95 60.34 11.34 -14.28 58.37 10.72 -14.62 59.35 11.03 3 0 14.09 -999 ? O4 PO4 A 349 >VAL^A 257 -15.09 63.65 14.33 -16.33 64.65 15.84 -15.71 64.15 15.08 3 0 11.93 -999 ? O4 PO4 A 349 >LEU^A 258 -10.72 64.89 12.70 -8.62 64.56 12.17 -9.67 64.73 12.44 3 0 11.26 -999 ? O4 PO4 A 349 >VAL^A 259 -9.53 65.57 17.14 -10.11 64.98 19.16 -9.82 65.28 18.15 3 0 6.77 -999 ? O4 PO4 A 349 >HIS^A 260 -4.97 68.88 15.23 -3.05 69.59 14.77 -4.01 69.24 15.00 3 0 11.64 -999 ? O4 PO4 A 349 >ARG^A 261 -1.53 69.75 22.21 -1.72 66.84 23.28 -1.63 68.30 22.74 2 0 7.73 -999 ? O2 PO4 A 349 >ALA.A 262 -3.81 73.23 18.07 -4.57 74.45 18.58 -4.19 73.84 18.32 2 0 14.15 -999 ? O4 PO4 A 349 >GLY.A 263 -0.26 73.98 16.89 -0.52 73.23 16.93 -0.39 73.61 16.91 1 0 15.67 -999 ? O4 PO4 A 349 >GLN.A 264 1.25 68.04 18.04 0.43 66.37 19.03 0.84 67.20 18.54 2 0 9.90 -999 ? O4 PO4 A 349 >THR.A 265 3.16 69.70 14.04 4.54 71.38 14.15 3.85 70.54 14.09 2 0 17.74 -999 ? O4 PO4 A 349 >HIS.A 266 6.94 67.18 14.08 7.86 68.38 12.63 7.40 67.78 13.35 3 0 18.54 -999 ? O4 PO4 A 349 >ASN.A 267 4.37 61.77 16.42 3.54 60.20 17.57 3.95 60.98 16.99 2 0 11.93 -999 ? O4 PO4 A 349 >GLY.A 268 4.47 63.40 20.71 4.75 62.80 20.25 4.61 63.10 20.48 1 0 11.90 -999 ? O3 PO4 A 349 >ASN.A 269 5.56 58.73 21.48 4.09 58.66 22.99 4.82 58.70 22.23 2 0 10.42 -999 ? O3 PO4 A 349 >ASN.A 270 7.80 59.00 17.23 7.36 57.24 18.34 7.58 58.12 17.79 2 0 15.06 -999 ? O3 PO4 A 349 >PRO.A 271 10.10 63.79 19.44 9.06 63.15 17.57 9.58 63.47 18.51 3 0 17.28 -999 ? O3 PO4 A 349 >HIS.A 272 11.10 60.27 13.77 10.40 58.32 14.13 10.75 59.30 13.95 3 0 19.95 -999 ? O3 PO4 A 349 >VAL.A 273 7.08 61.83 12.64 6.21 59.81 12.76 6.64 60.82 12.70 3 0 17.09 -999 ? O4 PO4 A 349 >PRO.A 274 6.12 64.51 9.24 5.53 64.28 11.41 5.83 64.40 10.32 3 0 18.28 -999 ? O4 PO4 A 349 >ILE.A 275 0.65 66.15 12.70 -0.24 66.09 13.83 0.21 66.12 13.27 3 0 13.01 -999 ? O4 PO4 A 349 >PRO.A 276 0.28 63.95 7.56 0.41 65.99 8.51 0.34 64.97 8.04 3 0 16.98 -999 ? O4 PO4 A 349 >PRO~A 277 -0.64 69.63 5.10 -1.57 68.71 6.95 -1.11 69.17 6.03 3 0 19.54 -999 ? O4 PO4 A 349 >LEU~A 278 -6.46 69.26 9.19 -6.23 69.35 11.39 -6.35 69.31 10.29 3 0 14.95 -999 ? O4 PO4 A 349 >PRO~A 279 -6.93 70.27 4.49 -6.85 68.24 5.43 -6.89 69.26 4.96 3 0 19.60 -999 ? O4 PO4 A 349 >GLU~A 280 -2.67 65.99 2.80 -3.14 64.76 1.14 -2.91 65.37 1.97 2 0 22.33 -999 ? O4 PO4 A 349 >VAL~A 281 -5.43 63.60 7.64 -4.70 63.98 9.68 -5.07 63.79 8.66 3 0 14.54 -999 ? O4 PO4 A 349 >ILE~A 282 -9.90 65.04 6.38 -10.88 66.04 6.57 -10.39 65.54 6.47 3 0 17.23 -999 ? O4 PO4 A 349 >ARG~A 283 -6.83 62.59 -0.10 -4.11 61.39 0.92 -5.47 61.99 0.41 2 0 22.10 -999 ? O4 PO4 A 349 >LEU~A 284 -5.32 59.56 6.11 -3.97 58.07 6.92 -4.65 58.81 6.52 3 0 16.66 -999 ? O4 PO4 A 349 >TYR~A 285 -8.78 59.29 10.05 -7.08 58.89 12.20 -7.93 59.09 11.13 3 0 11.91 -999 ? O4 PO4 A 349 >GLU~A 286 -13.11 61.08 5.26 -13.84 62.85 4.34 -13.48 61.97 4.80 2 0 19.74 -999 ? O4 PO4 A 349 >THR~A 287 -10.13 56.48 2.76 -8.53 56.78 1.32 -9.33 56.63 2.04 2 0 22.00 -999 ? O4 PO4 A 349 >VAL~A 288 -9.54 53.93 5.52 -8.09 53.54 7.10 -8.82 53.73 6.31 3 0 18.20 -999 ? O4 PO4 A 349 >ALA~A 289 -13.20 54.19 6.57 -13.87 55.41 7.14 -13.53 54.80 6.86 2 0 18.02 -999 ? O4 PO4 A 349 >SER~A 290 -14.58 53.59 3.05 -13.34 54.72 1.34 -13.96 54.15 2.19 2 0 22.09 -999 ? O4 PO4 B 349 >GLY~A 291 -11.93 50.92 2.28 -12.21 51.53 1.80 -12.07 51.22 2.04 1 0 18.10 -999 ? O4 PO4 B 349 >GLY.A 292 -11.67 52.51 -1.16 -12.33 52.16 -0.84 -12.00 52.34 -1.00 1 0 19.56 -999 ? O4 PO4 B 349 >GLY.A 293 -15.25 51.43 -1.86 -14.91 51.02 -1.25 -15.08 51.23 -1.55 1 0 20.64 -999 ? O4 PO4 B 349 >ALA.A 294 -15.59 48.24 0.20 -14.45 47.45 0.82 -15.02 47.84 0.51 2 0 16.82 -999 ? O4 PO4 B 349 >PHE.A 295 -16.01 49.04 4.49 -14.33 46.85 4.98 -15.17 47.94 4.73 3 0 17.95 -999 ? O4 PO4 B 349 >GLY.A 296 -19.90 53.09 2.71 -19.14 53.04 3.04 -19.52 53.06 2.88 1 0 24.68 -999 ? O4 PO4 B 349 >THR.A 297 -18.58 56.61 2.58 -18.64 58.07 0.99 -18.61 57.34 1.78 2 0 24.89 -999 ? O4 PO4 A 349 >VAL.A 298 -17.96 57.92 6.10 -17.80 56.48 7.73 -17.88 57.20 6.91 3 0 19.62 -999 ? O4 PO4 A 349 >PRO.A 299 -19.56 61.98 6.61 -17.58 61.01 6.35 -18.57 61.50 6.48 3 0 19.95 -999 ? O4 PO4 A 349 >VAL^A 300 -15.17 63.56 8.91 -13.08 63.77 9.45 -14.12 63.66 9.18 3 0 15.53 -999 ? O4 PO4 A 349 >VAL^A 301 -18.00 66.05 9.67 -19.62 64.86 10.59 -18.81 65.46 10.13 3 0 17.78 -999 ? O4 PO4 A 349 >GLY^A 302 -16.13 68.37 12.01 -15.71 67.65 12.00 -15.92 68.01 12.00 1 0 15.79 -999 ? O4 PO4 A 349 >ILE^A 303 -11.83 69.84 13.13 -10.62 69.88 12.38 -11.23 69.86 12.76 3 0 13.90 -999 ? O4 PO4 A 349 >ALA^A 304 -12.65 69.09 17.72 -13.05 67.93 18.59 -12.85 68.51 18.15 2 0 9.92 -999 ? O4 PO4 A 349 >LEU^A 305 -9.58 72.71 17.73 -7.91 73.51 16.59 -8.75 73.11 17.16 3 0 13.30 -999 ? O4 PO4 A 349 >ASN^A 306 -7.02 69.82 22.14 -6.25 69.91 24.11 -6.64 69.87 23.13 2 0 8.27 -999 ? O2 PO4 A 349 >THR.A 307 -6.91 74.69 22.42 -8.63 75.73 21.66 -7.77 75.21 22.04 2 0 14.46 -999 ? O2 PO4 A 349 >ALA.A 308 -6.36 74.21 26.20 -6.22 72.82 26.84 -6.29 73.51 26.52 2 0 11.21 -999 ? O2 PO4 A 349 >HIS.A 309 -1.71 74.54 24.02 -2.03 74.32 21.96 -1.87 74.43 22.99 3 0 13.93 -999 ? O2 PO4 A 349 >LEU.A 310 -4.14 78.70 23.07 -2.96 78.11 21.37 -3.55 78.41 22.22 3 0 17.29 -999 ? O2 PO4 A 349 >ASP~A 311 -4.84 83.29 26.02 -4.08 84.26 24.26 -4.46 83.78 25.14 2 0 22.72 -999 ? O2 PO4 A 349 >GLU~A 312 -11.55 82.77 24.82 -13.13 83.67 25.87 -12.34 83.22 25.34 2 0 22.67 -999 ? O2 PO4 A 349 >TYR~A 313 -7.13 87.01 20.69 -6.82 88.46 18.34 -6.97 87.74 19.52 3 0 26.58 -999 ? O2 PO4 A 349 >ALA~A 314 -5.48 82.54 20.34 -4.13 82.23 20.99 -4.81 82.38 20.66 2 0 21.11 -999 ? O2 PO4 A 349 >ALA~A 315 -7.94 79.62 20.68 -8.62 79.20 21.97 -8.28 79.41 21.32 2 0 17.77 -999 ? O2 PO4 A 349 >GLU~A 317 -6.54 84.03 15.10 -5.06 85.44 15.56 -5.80 84.74 15.33 2 0 25.40 -999 ? O4 PO4 A 349 >ALA~A 318 -6.76 78.87 15.90 -6.16 78.10 17.06 -6.46 78.49 16.48 2 0 17.89 -999 ? O4 PO4 A 349 >ILE~A 319 -11.53 77.85 16.45 -12.59 77.48 17.31 -12.06 77.66 16.88 3 0 18.19 -999 ? O4 PO4 A 349 >ALA~A 320 -10.88 80.11 12.63 -10.83 81.63 12.81 -10.85 80.87 12.72 2 0 23.05 -999 ? O4 PO4 A 349 >HIS~A 321 -5.72 80.36 11.81 -5.04 82.32 12.10 -5.38 81.34 11.95 3 0 22.96 -999 ? O4 PO4 A 349 >THR~A 322 -8.78 75.40 11.01 -8.63 73.94 12.60 -8.71 74.67 11.80 2 0 16.41 -999 ? O4 PO4 A 349 >ILE~A 323 -13.16 77.33 10.10 -14.42 77.66 10.67 -13.79 77.50 10.38 3 0 21.56 -999 ? O4 PO4 A 349 >ALA~A 324 -10.38 78.38 6.74 -9.48 79.59 6.97 -9.93 78.99 6.86 2 0 24.40 -999 ? O4 PO4 A 349 >GLU~A 325 -5.93 73.96 6.45 -4.22 73.61 7.66 -5.08 73.79 7.06 2 0 19.81 -999 ? O4 PO4 A 349 >THR~A 326 -10.57 72.62 6.10 -10.41 71.91 8.14 -10.49 72.27 7.12 2 0 18.47 -999 ? O4 PO4 A 349 >GLY~A 327 -13.96 74.24 5.41 -13.80 73.71 6.02 -13.88 73.98 5.71 1 0 22.81 -999 ? O4 PO4 A 349 >LEU.A 328 -14.85 70.74 8.53 -14.79 68.95 7.31 -14.82 69.85 7.92 3 0 18.87 -999 ? O4 PO4 A 349 >PRO.A 329 -19.21 71.74 10.42 -17.20 72.76 10.67 -18.20 72.25 10.55 3 0 19.89 -999 ? O4 PO4 A 349 >CYH^A 330 -14.88 73.36 14.18 -12.11 73.72 14.67 -13.50 73.54 14.42 2 0 15.75 -999 ? O4 PO4 A 349 >THR^A 331 -14.62 74.37 17.81 -16.32 74.55 19.19 -15.47 74.46 18.50 2 0 16.62 -999 ? O4 PO4 A 349 >ASP~A 332 -12.09 74.10 21.91 -11.23 73.05 23.55 -11.66 73.57 22.73 2 0 12.07 -999 ? O2 PO4 A 349 >VAL~A 333 -15.97 71.26 22.68 -16.00 69.25 21.71 -15.99 70.26 22.19 3 0 12.55 -999 ? O2 PO4 A 349 >VAL~A 334 -14.44 71.14 26.18 -12.87 69.84 27.10 -13.66 70.49 26.64 3 0 10.92 -999 ? O2 PO4 A 349 >ARG~A 335 -10.94 77.02 25.36 -8.46 78.77 25.78 -9.70 77.90 25.57 2 0 17.04 -999 ? O2 PO4 A 349 >PHE~A 336 -15.28 77.93 22.83 -13.03 79.55 23.13 -14.16 78.74 22.98 3 0 18.45 -999 ? O2 PO4 A 349 >GLY~A 337 -19.69 73.64 23.95 -19.01 73.56 23.47 -19.35 73.60 23.71 1 0 17.24 -999 ? O2 PO4 A 349 >ALA~A 338 -20.17 70.54 21.81 -20.31 69.17 22.47 -20.24 69.86 22.14 2 0 14.94 -999 ? O1 PO4 A 349 >ASP~A 339 -24.08 73.03 20.51 -24.61 72.81 22.55 -24.35 72.92 21.53 2 0 20.53 -999 ? O1 PO4 A 349 >VAL~A 340 -21.26 73.04 16.94 -19.62 74.46 16.46 -20.44 73.75 16.70 3 0 19.30 -999 ? O4 PO4 A 349 >LEU~A 341 -18.78 68.84 16.87 -16.77 69.49 16.22 -17.77 69.16 16.54 3 0 14.71 -999 ? O4 PO4 A 349 >LEU~A 342 -23.99 67.83 18.73 -25.26 66.23 19.55 -24.62 67.03 19.14 3 0 18.19 -999 ? O1 PO4 A 349 >ASP~A 343 -25.30 71.23 14.76 -26.68 71.84 16.22 -25.99 71.53 15.49 2 0 23.03 -999 ? O1 PO4 A 349 >ALA~A 344 -22.48 68.79 12.16 -20.98 69.05 12.26 -21.73 68.92 12.21 2 0 19.12 -999 ? O4 PO4 A 349 >VAL~A 345 -23.10 65.13 13.09 -22.53 63.75 14.68 -22.81 64.44 13.89 3 0 18.13 -999 ? O1 PO4 A 349 >MET?A 346 -26.89 65.39 13.10 -27.90 63.35 15.38 -27.39 64.37 14.24 2 0 21.47 -999 ? O1 PO4 A 349 >GLN~A 347 -25.79 69.32 9.60 -25.79 71.34 10.38 -25.79 70.33 9.99 2 0 24.63 -999 ? O4 PO4 A 349 >ASN.A 348 -23.78 64.03 8.33 -22.91 62.83 6.81 -23.35 63.43 7.57 2 0 22.55 -999 ? O4 PO4 A 349 >ARG.B 8 10.20 9.25 11.13 12.17 8.18 13.25 11.19 8.71 12.19 2 0 30.97 -999 ? O3 PO4 B 349 >VAL^B 9 5.72 14.59 11.17 5.55 16.77 10.88 5.63 15.68 11.02 3 0 21.20 -999 ? O3 PO4 B 349 >ALA^B 10 2.16 13.37 10.97 1.64 12.29 11.89 1.90 12.83 11.43 2 0 23.36 -999 ? O3 PO4 B 349 >ILE^B 11 -0.22 16.88 8.66 0.14 18.05 7.89 -0.04 17.47 8.27 3 0 16.95 -999 ? O3 PO4 B 349 >LEU^B 12 -4.23 16.40 12.91 -5.95 15.65 14.04 -5.09 16.02 13.48 3 0 17.91 -999 ? C5 PG4 A 350 >LEU.B 13 -4.86 16.87 7.22 -4.41 18.48 5.76 -4.64 17.68 6.49 3 0 16.09 -999 ? O3 PO4 B 349 >HIS.B 14 -9.44 13.73 10.71 -8.61 11.98 11.53 -9.03 12.85 11.12 3 0 21.30 -999 ? C5 PG4 A 350 >GLU.B 15 -13.67 16.25 7.60 -15.45 16.94 8.51 -14.56 16.60 8.05 2 0 19.82 -999 ? C3 PG4 A 350 >GLY.B 16 -8.99 19.43 5.14 -8.92 18.73 4.81 -8.95 19.08 4.98 1 0 15.34 -999 ? O3 PO4 B 349 >THR.B 17 -7.05 17.62 2.38 -5.89 15.78 2.29 -6.47 16.70 2.34 2 0 17.41 -999 ? O3 PO4 B 349 >THR.B 18 -9.76 18.26 -0.25 -10.26 16.26 -0.91 -10.01 17.26 -0.58 2 0 18.49 -999 ? O3 PO4 B 349 >GLY.B 19 -12.10 20.39 1.89 -11.31 20.65 1.71 -11.71 20.52 1.80 1 0 15.74 -999 ? O3 PO4 B 349 >THR.B 20 -11.82 24.00 3.10 -13.90 24.62 2.83 -12.86 24.31 2.96 2 0 14.13 -999 ? O1 PO4 B 349 >ILE.B 21 -11.35 23.00 7.86 -12.39 22.10 8.35 -11.87 22.55 8.11 3 0 14.94 -999 ? O1 PO4 B 349 >GLY~B 22 -6.99 22.32 6.03 -7.16 22.99 5.70 -7.07 22.65 5.86 1 0 12.30 -999 ? O3 PO4 B 349 >THR~B 24 -2.45 25.09 7.36 -2.25 25.71 9.46 -2.35 25.40 8.41 2 0 10.13 -999 ? O1 PO4 B 349 >GLY~B 25 -1.91 21.39 6.65 -1.94 22.01 6.12 -1.92 21.70 6.39 1 0 12.55 -999 ? O3 PO4 B 349 >LEU~B 26 -2.97 22.29 1.98 -4.60 21.05 1.29 -3.78 21.67 1.64 3 0 11.25 -999 ? O3 PO4 B 349 >ALA~B 27 0.57 24.81 3.25 0.35 26.08 4.04 0.46 25.45 3.65 2 0 7.73 -999 ? O3 PO4 B 349 >LEU~B 28 2.61 21.96 6.65 2.73 22.95 8.60 2.67 22.45 7.63 3 0 13.08 -999 ? O3 PO4 B 349 >LEU~B 29 1.35 19.07 2.30 0.46 17.31 3.28 0.90 18.19 2.79 3 0 15.08 -999 ? O3 PO4 B 349 >ARG~B 30 1.86 25.26 -2.23 -1.04 24.22 -2.87 0.41 24.74 -2.55 2 0 9.80 -999 ? O3 PO4 B 349 >TYR~B 31 5.43 26.32 0.91 4.29 27.88 -1.11 4.86 27.10 -0.10 3 0 9.45 -999 ? O3 PO4 B 349 >SER~B 32 7.81 22.14 4.70 7.84 21.04 6.86 7.82 21.59 5.78 2 0 16.44 -999 ? O2 PO4 B 349 >ALA.B 34 10.52 18.42 7.36 9.55 18.78 8.48 10.04 18.60 7.92 2 0 19.61 -999 ? O2 PO4 B 349 >PRO.B 35 11.73 14.40 8.68 10.40 15.32 7.10 11.07 14.86 7.89 3 0 23.37 -999 ? O3 PO4 B 349 >ILE^B 36 5.47 15.40 6.01 4.58 16.48 5.96 5.03 15.94 5.99 3 0 19.01 -999 ? O3 PO4 B 349 >VAL^B 37 5.64 10.63 7.00 6.78 10.02 8.81 6.21 10.33 7.91 3 0 24.95 -999 ? O3 PO4 B 349 >ALA^B 38 1.83 10.74 7.10 1.38 9.74 8.17 1.61 10.24 7.63 2 0 24.33 -999 ? O3 PO4 B 349 >VAL^B 39 -1.23 12.85 6.36 -1.63 14.16 4.66 -1.43 13.51 5.51 3 0 19.76 -999 ? O3 PO4 B 349 >ILE^B 40 -4.02 12.01 10.12 -3.74 11.51 11.38 -3.88 11.76 10.75 3 0 23.04 -999 ? O3 PO4 B 349 >ASP.B 41 -7.40 13.29 5.68 -9.25 14.12 5.01 -8.33 13.70 5.34 2 0 20.21 -999 ? O3 PO4 B 349 >ARG.B 42 -13.08 10.76 9.81 -13.21 13.36 11.51 -13.14 12.06 10.66 2 0 20.99 -999 ? C5 PG4 A 350 >ASN.B 43 -12.52 12.59 3.86 -14.07 13.20 5.18 -13.29 12.90 4.52 2 0 23.10 -999 ? O3 PO4 B 349 >CYH.B 44 -8.90 10.53 1.89 -9.13 13.22 1.20 -9.02 11.87 1.55 2 0 20.73 -999 ? O3 PO4 B 349 >ALA.B 45 -7.26 7.38 3.30 -7.82 6.50 4.42 -7.54 6.94 3.86 2 0 27.03 -999 ? O3 PO4 B 349 >GLY.B 46 -5.25 5.55 0.62 -5.43 6.30 0.53 -5.34 5.92 0.57 1 0 27.45 -999 ? O3 PO4 B 349 >GLN.B 47 -8.08 8.65 -2.04 -9.77 9.95 -2.10 -8.92 9.30 -2.07 2 0 24.31 -999 ? O3 PO4 B 349 >SER~B 48 -2.83 10.14 -3.94 -1.62 10.85 -5.92 -2.22 10.50 -4.93 2 0 23.24 -999 ? O3 PO4 B 349 >LEU~B 49 -0.63 13.71 -1.48 -0.40 15.31 -0.03 -0.52 14.51 -0.76 3 0 18.58 -999 ? O3 PO4 B 349 >GLU~B 51 -3.55 11.69 -8.83 -2.89 12.70 -10.57 -3.22 12.19 -9.70 2 0 23.52 -999 ? O3 PO4 B 349 >ILE~B 52 -6.97 14.44 -3.89 -6.86 13.17 -3.06 -6.91 13.81 -3.47 3 0 20.19 -999 ? O3 PO4 B 349 >THR~B 53 -4.39 18.47 -3.98 -3.17 17.71 -2.38 -3.78 18.09 -3.18 2 0 15.65 -999 ? O3 PO4 B 349 >GLY~B 54 -2.04 19.25 -6.91 -1.76 19.09 -6.14 -1.90 19.17 -6.52 1 0 16.02 -999 ? O3 PO4 B 349 >ILE.B 55 0.89 19.37 -2.99 0.96 19.96 -1.69 0.93 19.66 -2.34 3 0 14.16 -999 ? O3 PO4 B 349 >TYR.B 56 4.03 18.56 -8.28 2.40 19.30 -10.40 3.21 18.93 -9.34 3 0 18.57 -999 ? O3 PO4 B 349 >ARG.B 57 5.49 16.86 0.47 7.09 17.94 2.86 6.29 17.40 1.66 2 0 17.74 -999 ? O3 PO4 B 349 >TYR.B 58 4.06 9.43 -1.88 2.81 7.26 -0.64 3.44 8.34 -1.26 3 0 25.36 -999 ? O3 PO4 B 349 >VAL.B 59 2.94 11.31 1.64 3.15 12.85 3.20 3.05 12.08 2.42 3 0 21.50 -999 ? O3 PO4 B 349 >PRO.B 60 2.50 7.45 3.79 1.28 8.79 2.43 1.89 8.12 3.11 3 0 25.15 -999 ? O3 PO4 B 349 >ILE^B 61 -3.85 10.05 2.65 -4.57 11.19 2.12 -4.21 10.62 2.39 3 0 22.30 -999 ? O3 PO4 B 349 >VAL^B 62 -4.09 7.34 6.50 -2.18 7.08 7.56 -3.13 7.21 7.03 3 0 26.22 -999 ? O3 PO4 B 349 >SER~B 64 -6.23 8.13 11.77 -6.66 5.89 12.66 -6.45 7.01 12.21 2 0 26.98 -999 ? C5 PG4 A 350 >VAL~B 65 -3.39 8.81 14.19 -3.01 10.28 15.80 -3.20 9.54 14.99 3 0 23.45 -999 ? C5 PG4 A 350 >GLU~B 66 -4.41 2.86 15.92 -3.73 2.64 17.92 -4.07 2.75 16.92 2 0 29.14 -999 ? C5 PG4 A 350 >ALA~B 67 -2.95 4.19 11.35 -4.03 4.34 10.26 -3.49 4.26 10.80 2 0 29.71 -999 ? C5 PG4 A 350 >ALA~B 68 -0.20 6.85 11.17 -0.38 8.31 11.56 -0.29 7.58 11.36 2 0 26.57 -999 ? O3 PO4 B 349 >LEU~B 69 1.27 4.37 15.16 0.59 5.42 16.94 0.93 4.90 16.05 3 0 28.69 -999 ? C5 PG4 A 350 >GLU~B 70 2.54 0.85 9.44 1.10 0.13 8.05 1.82 0.49 8.75 2 0 33.54 -999 ? O3 PO4 B 349 >TYR~B 71 3.73 5.71 7.80 2.32 4.41 5.78 3.02 5.06 6.79 3 0 28.79 -999 ? O3 PO4 B 349 >PRO.B 73 3.55 9.32 13.40 5.80 9.18 13.35 4.68 9.25 13.38 3 0 27.33 -999 ? O3 PO4 B 349 >GLN.B 74 9.77 10.94 16.00 11.73 11.41 15.32 10.75 11.18 15.66 2 0 29.03 -999 ? O2 PO4 B 349 >VAL^B 75 5.16 14.94 16.13 6.27 16.82 16.26 5.72 15.88 16.19 3 0 22.07 -999 ? O4 PG4 A 350 >LEU^B 76 0.32 14.89 16.19 -1.68 14.46 15.39 -0.68 14.67 15.79 3 0 19.61 -999 ? C5 PG4 A 350 >VAL^B 77 0.92 18.88 13.75 2.48 19.98 12.65 1.70 19.43 13.20 3 0 18.07 -999 ? O1 PO4 B 349 >ILE^B 78 -3.37 20.99 14.93 -4.42 21.03 15.99 -3.89 21.01 15.46 3 0 13.34 -999 ? C5 PG4 A 350 >GLY.B 79 -3.33 21.12 10.10 -3.98 20.99 10.55 -3.66 21.05 10.32 1 0 14.35 -999 ? O1 PO4 B 349 >ILE.B 80 -8.04 20.62 10.30 -8.33 19.20 10.24 -8.19 19.91 10.27 3 0 16.18 -999 ? C4 PG4 A 350 >ALA.B 81 -9.22 24.44 12.09 -8.53 25.77 12.01 -8.87 25.11 12.05 2 0 10.90 -999 ? C4 PG4 A 350 >PRO.B 82 -12.64 24.57 14.82 -12.28 24.51 12.62 -12.46 24.54 13.72 3 0 10.30 -999 ? C3 PG4 A 350 >GLY.B 84 -14.58 29.73 14.21 -14.80 28.98 14.10 -14.69 29.35 14.16 1 0 7.18 -999 ? C3 PG4 A 350 >GLY.B 85 -15.17 26.80 16.60 -14.44 26.95 16.65 -14.80 26.88 16.63 1 0 7.55 -999 ? C3 PG4 A 350 >GLY.B 86 -12.50 26.48 19.35 -12.60 26.05 18.67 -12.55 26.26 19.01 1 0 6.11 -999 ? C4 PG4 A 350 >ILE.B 87 -10.80 22.28 20.95 -9.38 22.00 20.51 -10.09 22.14 20.73 3 0 8.90 -999 ? C5 PG4 A 350 >PRO.B 88 -13.34 21.21 15.99 -13.52 20.85 18.18 -13.43 21.03 17.08 3 0 11.89 -999 ? C5 PG4 A 350 >ASP~B 90 -14.26 14.51 16.36 -14.11 16.10 14.94 -14.18 15.30 15.65 2 0 17.21 -999 ? C5 PG4 A 350 >TYR~B 91 -9.83 18.57 16.69 -10.13 20.18 14.41 -9.98 19.37 15.55 3 0 13.43 -999 ? C5 PG4 A 350 >TRP~B 92 -11.95 17.23 22.74 -9.16 19.51 24.31 -10.55 18.37 23.53 3 0 12.54 -999 ? C5 PG4 A 350 >ILE~B 93 -10.32 10.56 19.98 -11.28 9.52 19.89 -10.80 10.04 19.93 3 0 20.99 -999 ? C5 PG4 A 350 >GLU~B 94 -7.91 12.10 15.72 -7.33 10.19 14.89 -7.62 11.15 15.31 2 0 22.11 -999 ? C5 PG4 A 350 >LEU~B 95 -5.12 15.67 20.83 -5.40 17.52 19.66 -5.26 16.60 20.25 3 0 15.02 -999 ? C5 PG4 A 350 >LYS~B 96 -4.65 11.97 23.20 -9.16 12.78 27.52 -6.90 12.38 25.36 2 0 18.72 -999 ? C5 PG4 A 350 >THR~B 97 -3.70 9.00 20.99 -4.84 7.77 19.61 -4.27 8.38 20.30 2 0 23.71 -999 ? C5 PG4 A 350 >ALA~B 98 -0.63 10.86 19.74 -0.63 12.19 18.99 -0.63 11.52 19.37 2 0 20.95 -999 ? C5 PG4 A 350 >LEU~B 99 -0.43 12.69 24.27 -0.24 14.88 24.20 -0.33 13.78 24.24 3 0 19.30 -999 ? O4 PG4 A 350 >GLN~B 100 -2.17 7.89 25.91 -3.62 6.43 26.45 -2.90 7.16 26.18 2 0 25.40 -999 ? C5 PG4 A 350 >ALA~B 101 2.20 7.05 21.69 1.76 7.10 20.23 1.98 7.08 20.96 2 0 26.36 -999 ? C5 PG4 A 350 >GLY.B 102 5.13 9.24 22.93 4.64 9.48 22.34 4.88 9.36 22.64 1 0 25.81 -999 ? O4 PG4 A 350 >MET?B 103 4.64 12.00 20.36 2.34 10.49 17.03 3.49 11.25 18.69 2 0 24.17 -999 ? C5 PG4 A 350 >SER^B 104 4.91 15.78 20.69 7.14 16.28 21.49 6.03 16.03 21.09 2 0 21.28 -999 ? C8 PG4 A 350 >VAL^B 106 2.26 21.28 17.40 3.92 21.88 16.12 3.09 21.58 16.76 3 0 16.38 -999 ? O4 PG4 A 350 >ASN^B 107 -1.39 23.50 19.22 -3.25 24.51 19.38 -2.32 24.01 19.30 2 0 9.43 -999 ? C5 PG4 A 350 >GLY.B 108 -1.45 26.58 15.61 -2.07 26.26 16.03 -1.76 26.42 15.82 1 0 11.44 -999 ? C5 PG4 A 350 >LEU.B 109 -5.94 26.10 17.35 -7.04 24.68 16.17 -6.49 25.39 16.76 3 0 8.50 -999 ? C5 PG4 A 350 >HIS.B 110 -6.85 32.28 17.79 -6.48 33.98 16.61 -6.67 33.13 17.20 3 0 5.25 -999 ? C4 PG4 A 350 >THR.B 111 -6.89 27.93 21.89 -8.77 26.98 22.40 -7.83 27.45 22.14 2 0 -3.92 -999 ? C5 PG4 A 350s >PRO.B 112 -4.34 28.58 25.41 -4.35 27.25 23.62 -4.35 27.92 24.51 3 0 5.03 -999 ? O4 PG4 A 350 >LEU.B 113 -3.30 22.27 23.33 -5.06 21.84 22.10 -4.18 22.06 22.71 3 0 10.26 -999 ? C5 PG4 A 350 >ALA.B 114 -0.01 23.09 26.59 1.16 24.05 26.40 0.58 23.57 26.50 2 0 11.26 -999 ? C8 PG4 A 350 >ASN.B 115 -1.59 25.02 30.59 0.45 25.64 30.65 -0.57 25.33 30.62 2 0 11.03 -999 ? C8 PG4 A 350 >ILE~B 116 -5.47 21.06 28.34 -6.71 21.20 27.56 -6.09 21.13 27.95 3 0 11.21 -999 ? C6 PG4 A 350 >PRO~B 117 -5.72 20.24 33.79 -4.63 19.31 32.07 -5.18 19.78 32.93 3 0 15.02 -999 ? C6 PG4 A 350 >ASP~B 118 -7.43 16.06 29.70 -8.95 16.74 31.02 -8.19 16.40 30.36 2 0 16.08 -999 ? C6 PG4 A 350 >LEU~B 119 -3.23 17.51 26.72 -4.56 17.45 24.98 -3.90 17.48 25.85 3 0 14.75 -999 ? C6 PG4 A 350 >ASN~B 120 -0.30 18.23 31.33 0.39 20.12 30.68 0.04 19.17 31.00 2 0 15.18 -999 ? C8 PG4 A 350 >ALA~B 121 -1.03 13.88 32.02 -2.37 13.48 32.61 -1.70 13.68 32.31 2 0 20.81 -999 ? C6 PG4 A 350 >LEU.B 122 -1.58 11.83 27.72 -3.53 10.93 28.08 -2.55 11.38 27.90 3 0 21.21 -999 ? C6 PG4 A 350 >LEU.B 123 2.74 15.42 27.88 3.83 16.77 26.59 3.28 16.09 27.23 3 0 19.13 -999 ? C8 PG4 A 350 >GLN.B 124 4.70 9.46 27.02 5.12 7.75 25.81 4.91 8.60 26.42 2 0 27.16 -999 ? O4 PG4 A 350 >PRO.B 125 9.22 10.62 30.31 8.43 12.41 29.18 8.82 11.51 29.75 3 0 26.24 -999 ? C8 PG4 A 350 >GLY.B 126 11.03 14.60 26.60 10.22 14.71 26.68 10.63 14.66 26.64 1 0 24.84 -999 ? C8 PG4 A 350 >GLN.B 127 7.23 13.06 23.99 8.52 13.06 22.29 7.88 13.06 23.14 2 0 24.54 -999 ? C8 PG4 A 350 >ILE^B 129 1.86 20.60 24.15 0.50 20.08 24.36 1.18 20.34 24.25 3 0 14.30 -999 ? C8 PG4 A 350 >TRP^B 130 5.35 26.39 20.25 6.70 26.34 16.54 6.02 26.36 18.40 3 0 14.98 -999 ? O5 PG4 B 350 >ASP^B 131 0.40 27.07 22.40 -0.62 25.51 23.42 -0.11 26.29 22.91 2 0 9.09 -999 ? C8 PG4 A 350 >VAL.B 132 2.43 28.48 18.14 2.79 27.81 16.06 2.61 28.14 17.10 3 0 12.49 -999 ? C8 PG4 A 350 >ARG.B 133 -3.22 31.42 16.60 -5.11 31.22 14.14 -4.17 31.32 15.37 2 0 8.50 -999 ? C4 PG4 A 350 >LYS.B 134 1.49 32.28 22.12 4.07 30.52 27.68 2.78 31.40 24.90 2 0 7.94 -999 ? O5 PG4 B 350 >GLU.B 135 2.30 38.46 22.67 1.14 39.98 23.57 1.72 39.22 23.12 2 0 -3.99 -999 ? O5 PG4 B 350s >PRO.B 136 6.08 37.13 19.78 5.60 36.57 21.90 5.84 36.85 20.84 3 0 -5.90 -999 ? O1 PG4 B 350s >ALA.B 137 7.80 37.88 25.36 8.67 37.02 26.26 8.24 37.45 25.81 2 0 5.32 -999 ? O1 PG4 B 350 >ASN.B 138 10.62 41.15 26.22 11.12 39.95 27.93 10.87 40.55 27.08 2 0 -6.40 -999 ? C1 PG4 B 350s >LEU.B 139 5.82 42.83 22.92 5.79 41.39 21.29 5.80 42.11 22.11 3 0 -3.88 -999 ? O1 PG4 B 350s >ASP.B 140 8.40 47.76 23.89 8.35 49.33 25.35 8.38 48.54 24.62 2 0 7.99 -999 ? O2 PG4 B 350 >VAL.B 141 5.25 49.75 21.69 3.67 51.17 22.24 4.46 50.46 21.97 3 0 9.37 -999 ? C2 PG4 B 350 >ALA.B 142 6.73 50.30 18.21 6.20 49.71 16.95 6.47 50.01 17.58 2 0 12.37 -999 ? C2 PG4 B 350 >SER.B 143 8.40 53.62 17.31 10.72 53.32 17.95 9.56 53.47 17.63 2 0 15.37 -999 ? C2 PG4 B 350 >GLY~B 144 9.02 53.30 13.55 9.55 53.11 14.13 9.29 53.21 13.84 1 0 17.74 -999 ? C2 PG4 B 350 >ALA~B 145 12.65 52.19 14.23 13.11 51.44 15.47 12.88 51.82 14.85 2 0 16.87 -999 ? C2 PG4 B 350 >ALA~B 146 12.70 49.96 11.14 11.60 48.99 10.76 12.15 49.48 10.95 2 0 18.33 -999 ? O1 PG4 B 350 >ARG~B 147 11.90 56.41 10.58 13.26 57.05 13.30 12.58 56.73 11.94 2 0 21.77 -999 ? C2 PG4 B 350 >THR~B 148 16.43 53.30 9.96 17.05 53.80 11.98 16.74 53.55 10.97 2 0 22.53 -999 ? C2 PG4 B 350 >LEU~B 149 16.58 48.64 8.60 16.30 47.40 10.36 16.44 48.02 9.48 3 0 21.21 -999 ? O1 PG4 B 350 >PRO.B 150 20.95 48.24 6.63 19.29 49.62 5.97 20.12 48.93 6.30 3 0 25.91 -999 ? O2 PO4 B 349 >CYH.B 151 17.77 46.72 3.80 16.28 45.67 5.92 17.03 46.20 4.86 2 0 20.90 -999 ? O2 PO4 B 349 >ARG^B 152 14.94 46.89 -2.30 16.61 48.81 -4.04 15.77 47.85 -3.17 2 0 23.80 -999 ? O2 PO4 B 349 >ARG^B 153 12.56 47.43 6.76 13.42 50.26 5.86 12.99 48.85 6.31 2 0 21.71 -999 ? O2 PO4 B 349 >VAL^B 154 8.87 44.32 1.16 9.42 43.74 -0.89 9.15 44.03 0.14 3 0 14.29 -999 ? O2 PO4 B 349 >LEU^B 155 4.77 44.58 3.50 3.24 44.09 4.98 4.00 44.33 4.24 3 0 11.29 -999 ? O2 PO4 B 349 >THR^B 156 2.82 41.58 0.66 3.48 39.53 0.38 3.15 40.55 0.52 2 0 7.28 -999 ? O2 PO4 B 349 >VAL^B 157 -0.64 43.07 1.09 -0.09 45.22 0.98 -0.37 44.14 1.03 3 0 9.26 -999 ? O4 PO4 B 349 >GLY^B 158 -3.93 41.69 -0.28 -4.14 42.31 0.12 -4.03 42.00 -0.08 1 0 6.78 -999 ? O4 PO4 B 349 >THR.B 159 -7.46 42.26 -1.59 -7.39 42.02 -3.73 -7.42 42.14 -2.66 2 0 9.69 -999 ? O4 PO4 B 349 >ASP.B 160 -9.63 38.59 -0.09 -11.16 37.62 1.09 -10.39 38.10 0.50 2 0 8.62 -999 ? O4 PO4 B 349 >MET?B 161 -7.24 36.71 3.02 -8.54 37.80 6.87 -7.89 37.26 4.94 2 0 7.28 -999 ? O1 PO4 B 349 >ALA.B 162 -6.01 33.27 1.94 -7.10 32.30 2.42 -6.56 32.78 2.18 2 0 -4.31 -999 ? O1 PO4 B 349s >ILE.B 163 -5.58 35.75 -2.08 -6.16 37.05 -1.87 -5.87 36.40 -1.98 3 0 -4.76 -999 ? O4 PO4 B 349s >GLY~B 164 -1.30 33.64 -1.77 -1.48 34.26 -1.32 -1.39 33.95 -1.55 1 0 -3.62 -999 ? O3 PO4 B 349s >LYS~B 165 0.37 36.49 0.17 -3.63 37.66 2.73 -1.63 37.07 1.45 2 0 -2.78 -999 ? O4 PO4 B 349s >MET?B 166 2.71 33.98 1.86 3.15 30.84 4.79 2.93 32.41 3.33 2 0 -5.75 -999 ? O2 PO4 B 349s >SER~B 167 3.34 32.15 -1.39 1.57 30.56 -1.62 2.46 31.35 -1.50 2 0 5.62 -999 ? O3 PO4 B 349 >THR~B 168 4.28 35.49 -3.02 3.03 37.03 -3.88 3.65 36.26 -3.45 2 0 8.22 -999 ? O4 PO4 B 349 >SER~B 169 6.64 36.52 -0.21 5.42 37.80 1.47 6.03 37.16 0.63 2 0 7.42 -999 ? O2 PO4 B 349 >LEU~B 170 7.64 31.76 -0.09 7.54 30.72 1.82 7.59 31.24 0.86 3 0 9.31 -999 ? O2 PO4 B 349 >GLU~B 171 6.59 31.85 -5.28 7.53 30.11 -6.08 7.06 30.98 -5.68 2 0 12.87 -999 ? O3 PO4 B 349 >LEU~B 172 9.32 37.94 -3.58 8.05 39.24 -4.84 8.68 38.59 -4.21 3 0 12.69 -999 ? O2 PO4 B 349 >HIS~B 173 13.23 34.15 0.64 14.88 33.23 1.56 14.06 33.69 1.10 3 0 15.15 -999 ? O2 PO4 B 349 >TRP~B 174 13.10 30.34 -1.45 9.52 28.76 -1.64 11.31 29.55 -1.54 3 0 13.88 -999 ? O2 PO4 B 349 >ALA~B 175 14.10 34.75 -6.58 13.02 35.55 -7.27 13.56 35.15 -6.93 2 0 17.30 -999 ? O2 PO4 B 349 >ALA~B 176 16.22 37.28 -4.66 15.77 38.11 -3.49 16.00 37.70 -4.08 2 0 18.30 -999 ? O2 PO4 B 349 >LYS~B 177 18.35 34.41 -3.27 19.41 29.18 0.25 18.88 31.80 -1.51 2 0 21.19 -999 ? O2 PO4 B 349 >LEU~B 178 17.63 32.43 -7.64 17.72 30.88 -9.17 17.68 31.66 -8.40 3 0 21.93 -999 ? O2 PO4 B 349 >ARG~B 179 17.17 37.45 -10.17 16.17 40.20 -11.05 16.67 38.83 -10.61 2 0 22.83 -999 ? O2 PO4 B 349 >GLY.B 180 22.69 36.63 -5.30 22.03 36.92 -5.12 22.36 36.77 -5.21 1 0 25.14 -999 ? O2 PO4 B 349 >TRP.B 181 20.38 42.01 -3.47 18.74 41.76 -7.01 19.56 41.89 -5.24 3 0 23.33 -999 ? O2 PO4 B 349 >ARG.B 182 24.54 38.99 2.73 24.16 37.16 5.19 24.35 38.08 3.96 2 0 25.41 -999 ? O2 PO4 B 349 >SER^B 183 17.47 37.56 1.42 15.35 37.17 0.22 16.41 37.36 0.82 2 0 16.79 -999 ? O2 PO4 B 349 >LYS^B 184 15.36 36.70 4.47 15.17 34.16 8.91 15.27 35.43 6.69 2 0 17.27 -999 ? O2 PO4 B 349 >PHE^B 185 9.75 34.05 4.41 7.07 33.56 5.04 8.41 33.80 4.73 3 0 9.61 -999 ? O2 PO4 B 349 >LEU^B 186 10.06 38.15 8.40 11.92 38.92 9.16 10.99 38.53 8.78 3 0 14.03 -999 ? O2 PO4 B 349 >ALA.B 187 6.84 34.76 9.15 6.94 33.32 9.66 6.89 34.04 9.40 2 0 10.53 -999 ? O2 PO4 B 349 >THR.B 188 3.85 36.60 10.61 3.87 38.08 9.08 3.86 37.34 9.84 2 0 8.78 -999 ? O2 PO4 B 349 >GLY~B 189 1.22 33.78 11.00 2.03 33.50 11.09 1.62 33.64 11.04 1 0 8.50 -999 ? O2 PO4 B 349 >GLN~B 190 -1.34 29.17 12.50 -2.56 30.72 11.73 -1.95 29.94 12.11 2 0 8.74 -999 ? O1 PO4 B 349 >THR~B 191 1.66 28.50 9.29 0.44 28.02 7.58 1.05 28.26 8.43 2 0 8.03 -999 ? O2 PO4 B 349 >GLY~B 192 4.63 30.70 8.46 4.46 30.28 9.17 4.55 30.49 8.81 1 0 8.75 -999 ? O2 PO4 B 349 >VAL~B 193 6.05 30.23 11.96 5.79 31.27 13.87 5.92 30.75 12.92 3 0 12.75 -999 ? O2 PO4 B 349 >MET?B 194 5.56 26.44 11.67 1.78 24.68 12.56 3.67 25.56 12.12 2 0 13.82 -999 ? O1 PO4 B 349 >LEU~B 195 7.06 27.22 7.10 6.02 26.31 5.46 6.54 26.76 6.28 3 0 11.21 -999 ? O2 PO4 B 349 >GLU~B 196 10.06 30.74 8.04 11.63 30.24 6.70 10.84 30.49 7.37 2 0 13.82 -999 ? O2 PO4 B 349 >GLY~B 197 10.33 27.51 13.12 10.25 28.32 12.87 10.29 27.92 13.00 1 0 16.75 -999 ? O2 PO4 B 349 >ASP.B 198 11.89 31.57 14.26 12.37 32.72 16.00 12.13 32.14 15.13 2 0 14.38 -999 ? O1 PG4 B 350 >GLY.B 199 8.71 34.57 13.67 8.56 34.17 14.43 8.63 34.37 14.05 1 0 13.71 -999 ? O1 PG4 B 350 >VAL.B 200 5.44 35.81 15.17 5.01 37.98 15.50 5.23 36.90 15.33 3 0 10.68 -999 ? O1 PG4 B 350 >ALA~B 201 1.77 34.76 14.91 1.15 33.57 15.58 1.46 34.17 15.24 2 0 11.68 -999 ? O5 PG4 A 350 >LEU~B 202 0.89 39.31 13.54 1.10 41.47 13.60 0.99 40.39 13.57 3 0 12.39 -999 ? O1 PG4 B 350 >ASP~B 203 -4.02 37.06 13.77 -3.95 34.93 13.81 -3.99 36.00 13.79 2 0 9.89 -999 ? C4 PG4 A 350 >ALA~B 204 -2.79 36.37 18.37 -2.26 34.97 18.59 -2.53 35.67 18.48 2 0 7.34 -999 ? O5 PG4 A 350 >VAL~B 205 -0.77 39.39 19.60 1.25 40.11 19.10 0.24 39.75 19.35 3 0 7.53 -999 ? O1 PG4 B 350 >ARG~B 206 -2.22 41.47 25.55 0.33 41.32 27.30 -0.95 41.40 26.42 2 0 -3.06 -999 ? O4 PG4 B 350s >VAL~B 207 -3.46 45.18 19.79 -5.32 46.19 19.13 -4.39 45.69 19.46 3 0 11.84 -999 ? C8 PG4 B 350 >ASP~B 208 -1.20 47.44 23.46 -1.05 49.37 24.33 -1.12 48.40 23.89 2 0 8.88 -999 ? C3 PG4 B 350 >PHE~B 209 2.22 44.73 23.56 2.13 45.64 26.21 2.17 45.18 24.89 3 0 4.05 -999 ? C2 PG4 B 350 >ALA~B 210 1.12 44.24 17.53 -0.27 44.37 16.85 0.42 44.31 17.19 2 0 10.64 -999 ? O1 PG4 B 350 >ALA~B 211 3.26 46.82 15.74 3.00 48.33 15.70 3.13 47.58 15.72 2 0 12.63 -999 ? O1 PG4 B 350 >GLY~B 212 6.02 46.22 18.32 5.64 45.65 17.83 5.83 45.93 18.08 1 0 9.26 -999 ? O1 PG4 B 350 >ALA~B 213 5.93 42.50 17.57 4.67 41.60 17.62 5.30 42.05 17.60 2 0 7.87 -999 ? O1 PG4 B 350 >VAL~B 214 6.59 43.24 13.89 5.24 43.57 12.16 5.91 43.40 13.02 3 0 12.79 -999 ? O1 PG4 B 350 >GLU~B 215 10.14 48.09 15.50 9.78 49.78 16.69 9.96 48.93 16.10 2 0 13.59 -999 ? C2 PG4 B 350 >GLN~B 216 11.42 42.35 19.15 10.50 41.03 20.54 10.96 41.69 19.84 2 0 7.61 -999 ? O1 PG4 B 350 >MET?B 217 11.42 40.82 14.36 9.13 37.84 12.22 10.28 39.33 13.29 2 0 14.15 -999 ? O1 PG4 B 350 >VAL~B 218 12.36 43.27 11.59 11.17 44.49 10.20 11.77 43.88 10.89 3 0 16.52 -999 ? O1 PG4 B 350 >MET?B 219 15.04 44.93 13.77 14.82 48.27 13.65 14.93 46.60 13.71 2 0 17.40 -999 ? O1 PG4 B 350 >TYR~B 221 16.24 38.44 11.23 15.50 36.34 12.94 15.87 37.39 12.08 3 0 17.66 -999 ? O1 PG4 B 350 >GLY~B 222 17.42 43.97 9.17 18.02 43.67 9.46 17.72 43.82 9.31 1 0 20.95 -999 ? O1 PG4 B 350 >LYS~B 223 21.08 44.90 9.51 21.11 48.16 14.97 21.09 46.53 12.24 2 0 20.96 -999 ? O1 PG4 B 350 >ASN~B 224 22.11 40.26 9.14 23.14 40.57 10.98 22.62 40.41 10.06 2 0 23.43 -999 ? O1 PG4 B 350 >TYR~B 225 19.22 39.10 5.74 19.70 36.67 7.05 19.46 37.89 6.39 3 0 21.07 -999 ? O2 PO4 B 349 >ASP.B 226 20.38 42.79 0.27 22.43 42.38 0.23 21.41 42.59 0.25 2 0 24.90 -999 ? O2 PO4 B 349 >ILE^B 227 15.73 42.13 0.15 14.97 41.47 -0.89 15.35 41.80 -0.37 3 0 18.25 -999 ? O2 PO4 B 349 >LEU^B 228 13.29 42.11 5.44 14.87 42.28 6.94 14.08 42.19 6.19 3 0 17.34 -999 ? O2 PO4 B 349 >HIS^B 229 11.38 38.70 0.79 12.71 38.99 -0.80 12.04 38.84 0.00 3 0 14.08 -999 ? O2 PO4 B 349 >ILE^B 230 7.28 41.58 6.18 7.80 42.26 6.59 7.54 41.92 6.38 3 0 11.98 -999 ? O2 PO4 B 349 >GLU.B 231 3.23 35.71 5.73 3.00 33.97 6.89 3.11 34.84 6.31 2 0 5.72 -999 ? O2 PO4 B 349 >GLY.B 232 1.39 39.60 4.72 1.45 38.82 4.98 1.42 39.21 4.85 1 0 6.11 -999 ? O2 PO4 B 349 >GLN.B 233 -0.27 37.92 8.62 -0.42 35.83 8.20 -0.34 36.88 8.41 2 0 5.63 -999 ? O2 PO4 B 349 >GLY.B 234 -5.34 40.16 6.49 -4.85 40.15 5.88 -5.10 40.16 6.19 1 0 7.16 -999 ? O1 PO4 B 349 >SER.B 235 -6.73 42.81 4.19 -8.03 43.03 2.17 -7.38 42.92 3.18 2 0 9.35 -999 ? O4 PO4 B 349 >LEU.B 236 -7.17 47.64 4.03 -5.58 48.63 5.14 -6.37 48.14 4.59 3 0 13.69 -999 ? O4 PO4 B 349 >LEU.B 237 -10.81 44.71 1.03 -10.07 45.97 -0.56 -10.44 45.34 0.23 3 0 12.67 -999 ? O4 PO4 B 349 >HIS.B 238 -11.67 40.20 5.98 -12.62 38.67 7.06 -12.14 39.44 6.52 3 0 10.82 -999 ? O1 PO4 B 349 >PRO.B 239 -15.97 42.28 6.67 -14.13 43.49 7.04 -15.05 42.88 6.85 3 0 15.13 -999 ? O1 PO4 B 349 >GLY.B 240 -12.92 41.87 10.50 -12.39 42.07 9.95 -12.66 41.97 10.23 1 0 13.32 -999 ? C2 PG4 A 350 >SER.B 241 -9.21 42.20 9.74 -7.29 41.83 8.32 -8.25 42.02 9.03 2 0 10.02 -999 ? O1 PO4 B 349 >THR.B 242 -6.70 44.34 11.61 -7.01 44.85 13.75 -6.85 44.60 12.68 2 0 14.01 -999 ? C2 PG4 A 350 >ALA~B 243 -3.27 42.78 11.02 -3.01 41.27 10.91 -3.14 42.02 10.97 2 0 10.34 -999 ? O1 PO4 B 349 >THR~B 244 -2.27 44.71 7.93 -2.99 44.80 5.89 -2.63 44.75 6.91 2 0 10.49 -999 ? O4 PO4 B 349 >LEU~B 245 -2.99 48.72 10.67 -3.02 50.87 10.99 -3.01 49.79 10.83 3 0 17.05 -999 ? O4 PO4 A 349 >PRO~B 246 -0.94 45.15 13.15 0.10 46.84 12.06 -0.42 45.99 12.61 3 0 14.86 -999 ? O1 PG4 B 350 >LEU~B 247 2.01 43.96 8.53 1.93 41.79 8.82 1.97 42.88 8.67 3 0 10.80 -999 ? O2 PO4 B 349 >ILE~B 248 1.76 49.01 7.06 1.10 49.62 5.90 1.43 49.32 6.48 3 0 15.52 -999 ? O4 PO4 B 349 >ARG~B 249 1.78 52.94 11.29 0.18 53.87 8.84 0.98 53.41 10.06 2 0 17.39 -999 ? O4 PO4 A 349 >GLY~B 250 6.04 47.81 12.44 6.05 48.05 11.67 6.05 47.93 12.05 1 0 14.99 -999 ? O1 PG4 B 350 >SER~B 251 8.02 47.00 9.27 6.51 46.38 7.45 7.27 46.69 8.36 2 0 14.95 -999 ? O2 PO4 B 349 >GLN~B 252 8.85 51.73 9.90 7.57 53.45 9.91 8.21 52.59 9.91 2 0 20.40 -999 ? C2 PG4 B 350 >PRO.B 253 5.68 48.87 4.50 7.90 49.19 4.96 6.79 49.03 4.73 3 0 16.76 -999 ? O2 PO4 B 349 >THR.B 254 10.14 50.29 1.40 12.13 49.53 1.68 11.13 49.91 1.54 2 0 20.12 -999 ? O2 PO4 B 349 >GLN^B 255 9.74 48.71 -3.07 11.56 48.89 -1.98 10.65 48.80 -2.52 2 0 19.82 -999 ? O2 PO4 B 349 >LEU^B 256 3.24 47.65 -0.90 2.77 48.54 1.06 3.00 48.09 0.08 3 0 14.20 -999 ? O4 PO4 B 349 >VAL^B 257 3.36 44.02 -3.53 4.67 42.51 -4.44 4.01 43.26 -3.98 3 0 11.93 -999 ? O4 PO4 B 349 >LEU^B 258 -1.27 44.85 -4.46 -3.38 45.25 -3.96 -2.33 45.05 -4.21 3 0 11.38 -999 ? O4 PO4 B 349 >VAL^B 259 -1.79 40.17 -4.12 -0.77 38.44 -3.21 -1.28 39.31 -3.67 3 0 6.80 -999 ? O4 PO4 B 349 >HIS^B 260 -6.90 40.83 -7.07 -8.88 40.92 -7.74 -7.89 40.87 -7.40 3 0 11.70 -999 ? O4 PO4 B 349 >ARG^B 261 -9.45 33.50 -6.22 -8.65 32.83 -3.27 -9.05 33.17 -4.74 2 0 7.86 -999 ? O3 PO4 B 349 >ALA.B 262 -8.15 37.18 -10.66 -7.46 36.53 -11.87 -7.81 36.85 -11.26 2 0 14.24 -999 ? O4 PO4 B 349 >GLY.B 263 -11.92 37.68 -11.02 -11.58 37.84 -10.33 -11.75 37.76 -10.68 1 0 15.67 -999 ? O4 PO4 B 349 >GLN.B 264 -12.69 37.44 -4.88 -11.52 36.95 -3.20 -12.10 37.19 -4.04 2 0 10.00 -999 ? O4 PO4 B 349 >THR.B 265 -15.22 40.87 -6.76 -16.61 40.45 -8.39 -15.92 40.66 -7.58 2 0 17.72 -999 ? O4 PO4 B 349 >HIS.B 266 -18.71 40.64 -3.93 -20.02 41.58 -5.29 -19.37 41.11 -4.61 3 0 18.54 -999 ? O4 PO4 B 349 >ASN.B 267 -15.10 40.08 1.51 -14.03 39.29 3.16 -14.56 39.68 2.33 2 0 11.96 -999 ? O4 PO4 B 349 >GLY.B 268 -14.82 35.55 0.64 -15.06 36.08 1.20 -14.94 35.81 0.92 1 0 11.97 -999 ? O4 PO4 B 349 >ASN.B 269 -15.16 35.63 5.50 -13.49 34.32 5.66 -14.33 34.98 5.58 2 0 10.41 -999 ? O1 PO4 B 349 >ASN.B 270 -17.98 39.50 4.84 -17.14 38.86 6.70 -17.56 39.18 5.77 2 0 15.02 -999 ? O1 PO4 B 349 >PRO.B 271 -20.33 36.00 0.87 -19.60 38.10 1.01 -19.96 37.05 0.94 3 0 17.18 -999 ? O1 PO4 B 349 >HIS.B 272 -21.96 42.12 3.17 -20.97 42.39 5.00 -21.47 42.25 4.08 3 0 20.00 -999 ? O1 PO4 B 349 >VAL.B 273 -18.50 43.50 0.88 -17.27 43.86 2.67 -17.88 43.68 1.78 3 0 17.21 -999 ? O4 PO4 B 349 >PRO.B 274 -18.25 46.49 -2.38 -17.52 44.41 -1.91 -17.89 45.45 -2.14 3 0 18.51 -999 ? O4 PO4 B 349 >ILE.B 275 -12.70 43.29 -4.24 -11.53 42.35 -4.14 -12.12 42.82 -4.19 3 0 13.25 -999 ? O4 PO4 B 349 >PRO.B 276 -12.52 48.72 -3.03 -13.02 47.31 -4.74 -12.77 48.02 -3.89 3 0 17.04 -999 ? O4 PO4 B 349 >PRO~B 277 -12.97 49.63 -9.28 -11.69 48.23 -8.07 -12.33 48.93 -8.67 3 0 19.51 -999 ? O4 PO4 B 349 >LEU~B 278 -6.55 46.67 -8.96 -6.33 44.53 -8.41 -6.44 45.60 -8.69 3 0 14.98 -999 ? O4 PO4 B 349 >PRO~B 279 -7.30 51.15 -10.95 -6.75 50.64 -8.84 -7.03 50.89 -9.90 3 0 19.82 -999 ? O4 PO4 B 349 >GLU~B 280 -10.91 53.12 -6.46 -10.34 55.07 -5.90 -10.63 54.09 -6.18 2 0 22.45 -999 ? O4 PO4 B 349 >VAL~B 281 -7.14 49.37 -3.63 -7.60 47.19 -3.44 -7.37 48.28 -3.54 3 0 14.69 -999 ? O4 PO4 B 349 >ILE~B 282 -3.05 50.76 -6.00 -2.26 50.47 -7.06 -2.66 50.61 -6.53 3 0 17.36 -999 ? O4 PO4 B 349 >LEU~B 284 -7.00 51.74 -0.03 -7.97 51.04 1.77 -7.49 51.39 0.87 3 0 16.80 -999 ? O4 PO4 B 349 >TYR~B 285 -2.93 48.39 0.67 -4.25 46.17 1.73 -3.59 47.28 1.20 3 0 12.05 -999 ? O4 PO4 B 349 >GLU~B 286 0.48 53.28 -2.68 0.79 53.94 -4.67 0.63 53.61 -3.68 2 0 20.04 -999 ? O4 PO4 B 349 >THR~B 287 -2.38 56.31 1.67 -4.17 57.52 1.30 -3.28 56.91 1.49 2 0 22.03 -999 ? O4 PO4 A 349 >VAL~B 288 -2.25 54.01 4.75 -3.47 52.31 5.55 -2.86 53.16 5.15 3 0 18.27 -999 ? O4 PO4 B 349 >ALA~B 289 1.46 53.29 4.26 2.07 52.48 3.12 1.76 52.89 3.69 2 0 18.00 -999 ? O4 PO4 B 349 >SER~B 290 2.39 57.00 3.93 0.87 58.29 2.54 1.63 57.65 3.23 2 0 21.99 -999 ? O4 PO4 A 349 >GLY~B 291 -0.11 58.00 6.65 0.09 58.36 5.91 -0.01 58.18 6.28 1 0 17.91 -999 ? O4 PO4 A 349 >GLY~B 292 -1.18 60.93 4.48 -0.44 60.76 4.75 -0.81 60.84 4.61 1 0 19.29 -999 ? O4 PO4 A 349 >GLY~B 293 2.42 62.24 4.78 2.23 61.74 5.37 2.33 61.99 5.08 1 0 20.43 -999 ? O4 PO4 A 349 >ALA~B 294 3.51 61.12 8.27 2.59 60.51 9.32 3.05 60.81 8.79 2 0 16.64 -999 ? O4 PO4 A 349 >PHE.B 295 4.44 56.76 8.32 3.13 56.55 10.76 3.78 56.65 9.54 3 0 17.77 -999 ? O4 PO4 A 349 >GLY.B 296 7.61 58.29 3.60 6.91 57.85 3.79 7.26 58.07 3.69 1 0 24.39 -999 ? O4 PO4 A 349 >THR.B 297 5.93 57.44 0.32 5.53 58.59 -1.46 5.73 58.02 -0.57 2 0 24.99 -999 ? O4 PO4 B 349 >VAL.B 298 5.62 53.65 0.04 5.78 52.39 1.79 5.70 53.02 0.91 3 0 19.75 -999 ? O4 PO4 B 349 >PRO.B 299 6.89 52.45 -4.03 4.99 52.63 -2.85 5.94 52.54 -3.44 3 0 20.04 -999 ? O4 PO4 B 349 >VAL^B 300 2.68 49.37 -4.57 0.60 48.61 -4.34 1.64 48.99 -4.45 3 0 15.66 -999 ? O4 PO4 B 349 >VAL^B 301 5.31 48.32 -7.12 7.12 47.80 -5.95 6.21 48.06 -6.53 3 0 17.67 -999 ? O4 PO4 B 349 >GLY^B 302 3.38 45.56 -8.81 3.08 45.63 -8.02 3.23 45.59 -8.41 1 0 15.90 -999 ? O4 PO4 B 349 >ILE^B 303 -0.72 43.52 -9.32 -2.02 44.06 -9.34 -1.37 43.79 -9.33 3 0 13.91 -999 ? O4 PO4 B 349 >ALA^B 304 0.88 39.36 -7.81 1.55 38.82 -6.58 1.21 39.09 -7.19 2 0 9.93 -999 ? O4 PO4 B 349 >LEU^B 305 -2.46 38.27 -11.01 -4.36 38.88 -11.87 -3.41 38.58 -11.44 3 0 13.42 -999 ? O4 PO4 B 349 >ASN^B 306 -3.96 34.28 -6.86 -4.36 32.22 -6.36 -4.16 33.25 -6.61 2 0 8.17 -999 ? O3 PO4 B 349 >THR.B 307 -4.70 32.82 -11.47 -3.25 33.55 -12.93 -3.98 33.18 -12.20 2 0 14.53 -999 ? O3 PO4 B 349 >ALA.B 308 -4.57 29.17 -10.27 -4.28 28.71 -8.84 -4.42 28.94 -9.55 2 0 11.34 -999 ? O3 PO4 B 349 >HIS.B 309 -9.40 30.81 -10.60 -9.30 32.90 -10.77 -9.35 31.85 -10.69 3 0 14.09 -999 ? O3 PO4 B 349 >LEU.B 310 -7.34 31.10 -15.08 -8.64 32.80 -14.76 -7.99 31.95 -14.92 3 0 17.41 -999 ? O3 PO4 B 349 >ASP~B 311 -7.01 27.41 -19.12 -7.82 28.98 -20.32 -7.41 28.20 -19.72 2 0 22.86 -999 ? O3 PO4 B 349 >GLU~B 312 -0.30 29.09 -19.54 1.27 27.97 -20.48 0.48 28.53 -20.01 2 0 22.88 -999 ? O3 PO4 B 349 >TYR~B 313 -5.51 31.63 -24.11 -6.16 33.31 -26.25 -5.83 32.47 -25.18 3 0 26.96 -999 ? O3 PO4 B 349 >ALA~B 314 -6.84 32.96 -19.51 -8.02 32.23 -18.85 -7.43 32.59 -19.18 2 0 21.17 -999 ? O3 PO4 B 349 >ALA~B 315 -4.15 33.50 -16.84 -3.20 32.43 -16.31 -3.67 32.96 -16.58 2 0 17.89 -999 ? O3 PO4 B 349 >LYS~B 316 -2.04 35.41 -19.34 2.27 31.66 -22.14 0.12 33.53 -20.74 2 0 24.20 -999 ? O3 PO4 B 349 >GLU~B 317 -6.27 36.67 -22.50 -8.15 36.31 -23.40 -7.21 36.49 -22.95 2 0 25.52 -999 ? O4 PO4 B 349 >ALA~B 318 -5.89 38.26 -16.81 -6.24 37.24 -15.74 -6.06 37.75 -16.27 2 0 17.72 -999 ? O4 PO4 B 349 >ILE~B 319 -1.02 38.53 -16.47 0.18 37.92 -15.99 -0.42 38.22 -16.23 3 0 18.19 -999 ? O4 PO4 B 349 >ALA~B 320 -2.44 41.56 -19.41 -2.68 41.04 -20.84 -2.56 41.30 -20.13 2 0 23.13 -999 ? O4 PO4 B 349 >HIS~B 321 -8.21 43.10 -17.57 -9.89 44.30 -17.19 -9.05 43.70 -17.38 3 0 21.63 -999 ? O4 PO4 B 349 >THR~B 322 -4.35 43.84 -14.76 -4.06 42.63 -12.99 -4.21 43.23 -13.88 2 0 16.35 -999 ? O4 PO4 B 349 >ILE~B 323 -0.33 45.07 -17.23 0.98 44.64 -17.58 0.33 44.85 -17.40 3 0 21.49 -999 ? O4 PO4 B 349 >ALA~B 324 -3.63 47.74 -18.57 -4.55 47.18 -19.65 -4.09 47.46 -19.11 2 0 24.38 -999 ? O4 PO4 B 349 >GLU~B 325 -7.86 48.35 -14.01 -8.88 47.03 -12.75 -8.37 47.69 -13.38 2 0 19.47 -999 ? O4 PO4 B 349 >THR~B 326 -3.30 49.51 -13.13 -2.98 47.60 -12.20 -3.14 48.55 -12.66 2 0 18.48 -999 ? O4 PO4 B 349 >GLY~B 327 -0.28 50.53 -15.18 -0.27 49.97 -14.57 -0.27 50.25 -14.88 1 0 22.81 -999 ? O4 PO4 B 349 >LEU.B 328 1.54 48.19 -11.47 1.64 49.68 -9.92 1.59 48.93 -10.69 3 0 18.90 -999 ? O4 PO4 B 349 >PRO.B 329 5.89 46.62 -12.77 3.85 45.90 -13.31 4.87 46.26 -13.04 3 0 19.85 -999 ? O4 PO4 B 349 >CYH^B 330 2.17 41.99 -12.90 -0.49 41.01 -12.76 0.84 41.50 -12.83 2 0 15.61 -999 ? O4 PO4 B 349 >THR^B 331 2.36 38.24 -13.00 4.20 37.08 -13.10 3.28 37.66 -13.05 2 0 16.37 -999 ? O4 PO4 B 349 >ASP~B 332 0.44 34.01 -11.76 -0.11 32.57 -10.33 0.16 33.29 -11.04 2 0 12.13 -999 ? O3 PO4 B 349 >VAL~B 333 4.68 34.48 -9.33 4.81 35.87 -7.62 4.74 35.17 -8.48 3 0 12.58 -999 ? O3 PO4 B 349 >VAL~B 334 3.84 30.88 -8.42 2.54 29.99 -6.87 3.19 30.43 -7.64 3 0 11.07 -999 ? O3 PO4 B 349 >ARG~B 335 -0.53 29.97 -13.85 -3.08 28.75 -15.03 -1.80 29.36 -14.44 2 0 17.10 -999 ? O3 PO4 B 349 >PHE~B 336 3.33 32.70 -15.56 0.90 31.96 -16.75 2.11 32.33 -16.16 3 0 18.31 -999 ? O3 PO4 B 349 >GLY~B 337 8.09 33.07 -11.69 7.39 33.52 -11.68 7.74 33.29 -11.68 1 0 16.94 -999 ? O3 PO4 B 349 >ALA~B 338 8.76 36.08 -9.47 9.09 35.86 -8.00 8.92 35.97 -8.73 2 0 14.85 -999 ? O2 PO4 B 349 >ASP~B 339 12.36 37.42 -12.59 13.93 36.17 -11.84 13.15 36.80 -12.21 2 0 20.98 -999 ? O2 PO4 B 349 >VAL~B 340 8.95 40.45 -13.01 7.34 40.35 -14.53 8.15 40.40 -13.77 3 0 19.57 -999 ? O4 PO4 B 349 >LEU~B 341 6.89 40.99 -8.64 4.77 41.10 -9.21 5.83 41.05 -8.92 3 0 14.80 -999 ? O4 PO4 B 349 >LEU~B 342 12.43 40.10 -7.96 14.10 39.94 -6.56 13.26 40.02 -7.26 3 0 18.36 -999 ? O2 PO4 B 349 >ASP~B 343 12.62 43.49 -12.19 13.89 41.96 -12.92 13.25 42.73 -12.56 2 0 22.96 -999 ? O2 PO4 B 349 >ALA~B 344 9.86 46.08 -9.76 8.38 45.76 -9.84 9.12 45.92 -9.80 2 0 19.16 -999 ? O4 PO4 B 349 >VAL~B 345 10.95 45.95 -6.11 10.81 44.53 -4.42 10.88 45.24 -5.26 3 0 18.04 -999 ? O2 PO4 B 349 >MET?B 346 14.63 46.40 -6.99 16.27 44.64 -4.85 15.45 45.52 -5.92 2 0 21.52 -999 ? O2 PO4 B 349 >GLN~B 347 13.07 48.75 -11.49 13.61 47.74 -13.28 13.34 48.25 -12.39 2 0 25.46 -999 ? O4 PO4 B 349 >ASN.B 348 11.22 50.80 -5.88 10.43 52.38 -4.70 10.82 51.59 -5.29 2 0 22.58 -999 ? O4 PO4 B 349 >LEU.C 3 -35.57 7.38 24.15 -37.00 6.57 22.77 -36.29 6.98 23.46 3 0 17.08 -999 ? O2 PO4 C 349 >PRO.C 4 -32.42 2.85 23.96 -32.26 5.02 23.38 -32.34 3.94 23.67 3 0 21.45 -999 ? O2 PO4 C 349 >ASN.C 6 -27.75 3.03 19.30 -28.08 2.22 21.26 -27.92 2.62 20.28 2 0 25.68 -999 ? O2 PO4 C 349 >ARG.C 8 -34.38 -0.74 13.28 -32.98 -3.36 14.17 -33.68 -2.05 13.72 2 0 30.39 -999 ? O4 PO4 C 349 >VAL^C 9 -38.24 2.44 18.29 -38.08 4.09 19.82 -38.16 3.26 19.06 3 0 21.06 -999 ? O4 PO4 C 349 >ALA^C 10 -41.98 1.84 18.07 -42.52 0.45 17.93 -42.25 1.14 18.00 2 0 23.13 -999 ? O4 PO4 C 349 >ILE^C 11 -44.22 5.82 19.57 -43.78 7.17 19.89 -44.00 6.49 19.73 3 0 16.75 -999 ? O4 PO4 C 349 >LEU^C 12 -47.60 2.29 22.79 -49.16 0.88 23.31 -48.38 1.58 23.05 3 0 17.34 -999 ? C5 PG4 D 350 >LEU.C 13 -49.10 6.72 19.52 -48.52 8.81 19.72 -48.81 7.76 19.62 3 0 16.11 -999 ? O4 PO4 C 349 >HIS.C 14 -53.35 2.03 20.79 -52.66 0.23 19.95 -53.00 1.13 20.37 3 0 19.64 -999 ? C5 PG4 D 350 >GLU.C 15 -57.75 5.96 21.41 -58.79 5.43 23.18 -58.27 5.69 22.29 2 0 17.45 -999 ? C5 PG4 D 350 >GLY.C 16 -52.98 9.90 20.86 -53.06 9.69 20.11 -53.02 9.80 20.49 1 0 15.48 -999 ? O4 PO4 C 349 >THR.C 17 -51.69 10.68 17.35 -50.91 9.38 15.79 -51.30 10.03 16.57 2 0 17.35 -999 ? O4 PO4 C 349 >THR.C 18 -54.62 13.00 16.62 -55.44 12.00 14.90 -55.03 12.50 15.76 2 0 18.34 -999 ? O4 PO4 C 349 >GLY.C 19 -56.32 12.91 20.05 -55.54 13.23 19.94 -55.93 13.07 20.00 1 0 15.83 -999 ? O4 PO4 C 349 >THR.C 20 -55.27 14.55 23.34 -57.23 15.15 23.98 -56.25 14.85 23.66 2 0 14.12 -999 ? O3 PO4 C 349 >ILE.C 21 -54.26 10.44 25.68 -55.39 9.48 25.57 -54.82 9.96 25.63 3 0 14.37 -999 ? C5 PG4 D 350 >GLY~C 22 -50.31 11.35 23.15 -50.44 12.07 23.41 -50.38 11.71 23.28 1 0 12.31 -999 ? O3 PO4 C 349 >THR~C 24 -45.29 12.37 24.95 -44.75 11.19 26.72 -45.02 11.78 25.83 2 0 10.28 -999 ? O3 PO4 C 349 >GLY~C 25 -45.25 10.31 21.73 -45.31 11.13 21.82 -45.28 10.72 21.78 1 0 12.45 -999 ? O4 PO4 C 349 >LEU~C 26 -47.09 14.25 19.55 -48.98 13.91 18.52 -48.03 14.08 19.04 3 0 11.04 -999 ? O4 PO4 C 349 >ALA~C 27 -43.00 15.18 21.21 -42.97 15.63 22.69 -42.98 15.41 21.95 2 0 7.42 -999 ? O4 PO4 C 349 >LEU~C 28 -40.83 10.77 21.23 -40.31 9.98 23.18 -40.57 10.37 22.21 3 0 12.95 -999 ? O4 PO4 C 349 >LEU~C 29 -42.98 11.89 16.49 -44.03 10.05 15.91 -43.51 10.97 16.20 3 0 14.83 -999 ? O4 PO4 C 349 >ARG~C 30 -42.41 19.48 17.74 -45.10 19.59 16.14 -43.75 19.54 16.94 2 0 10.19 -999 ? O4 PO4 C 349 >TYR~C 31 -38.22 17.89 20.09 -39.26 20.46 19.95 -38.74 19.18 20.02 3 0 9.00 -999 ? O4 PO4 C 349 >SER~C 32 -36.01 12.35 19.07 -35.78 10.06 19.77 -35.90 11.21 19.42 2 0 16.11 -999 ? O2 PO4 C 349 >GLU.C 33 -31.39 13.53 17.11 -31.33 14.10 15.04 -31.36 13.82 16.08 2 0 18.98 -999 ? O2 PO4 C 349 >ALA.C 34 -33.62 7.75 17.77 -34.37 7.21 18.99 -34.00 7.48 18.38 2 0 19.28 -999 ? O2 PO4 C 349 >PRO.C 35 -32.83 4.17 15.34 -34.27 5.92 15.30 -33.55 5.05 15.32 3 0 23.00 -999 ? O4 PO4 C 349 >ILE^C 36 -39.24 6.90 15.57 -39.97 7.67 16.46 -39.61 7.29 16.02 3 0 18.54 -999 ? O4 PO4 C 349 >VAL^C 37 -39.64 2.94 12.76 -38.34 1.23 13.31 -38.99 2.08 13.03 3 0 24.48 -999 ? O4 PO4 C 349 >ALA^C 38 -43.34 2.68 13.68 -43.68 1.18 13.78 -43.51 1.93 13.73 2 0 24.18 -999 ? O4 PO4 C 349 >VAL^C 39 -46.22 4.52 15.35 -46.75 6.68 15.27 -46.49 5.60 15.31 3 0 19.66 -999 ? O4 PO4 C 349 >ILE^C 40 -48.41 1.22 17.97 -48.00 -0.02 18.41 -48.21 0.60 18.19 3 0 22.22 -999 ? C5 PG4 D 350 >ASP.C 41 -52.23 5.22 16.50 -53.97 6.36 17.05 -53.10 5.79 16.77 2 0 20.22 -999 ? O4 PO4 C 349 >ARG.C 42 -57.88 0.79 18.76 -56.46 0.67 21.52 -57.17 0.73 20.14 2 0 19.15 -999 ? C5 PG4 D 350 >ASN.C 43 -57.74 6.14 16.07 -58.97 5.36 17.64 -58.35 5.75 16.85 2 0 22.72 -999 ? C5 PG4 D 350 >CYH.C 44 -54.82 6.18 12.39 -54.72 8.60 13.80 -54.77 7.39 13.10 2 0 20.66 -999 ? O4 PO4 C 349 >ALA.C 45 -53.34 2.95 10.94 -53.83 1.53 11.19 -53.59 2.24 11.06 2 0 26.84 -999 ? O4 PO4 C 349 >GLY.C 46 -52.06 3.43 7.36 -52.19 4.02 7.83 -52.13 3.73 7.60 1 0 27.31 -999 ? O4 PO4 C 349 >GLN.C 47 -54.88 7.34 8.33 -56.28 8.33 9.60 -55.58 7.84 8.97 2 0 24.24 -999 ? O4 PO4 C 349 >SER~C 48 -49.92 9.94 6.78 -48.92 11.89 5.74 -49.42 10.92 6.26 2 0 23.03 -999 ? O4 PO4 C 349 >LEU~C 49 -46.92 10.72 10.55 -46.22 10.91 12.63 -46.57 10.81 11.59 3 0 18.35 -999 ? O4 PO4 C 349 >THR~C 53 -50.24 15.72 12.79 -48.92 14.06 13.22 -49.58 14.89 13.01 2 0 15.62 -999 ? O4 PO4 C 349 >GLY~C 54 -48.31 18.40 10.87 -47.94 17.71 11.21 -48.12 18.06 11.04 1 0 15.97 -999 ? O4 PO4 C 349 >ILE.C 55 -44.93 15.77 13.26 -44.55 15.34 14.57 -44.74 15.55 13.92 3 0 13.72 -999 ? O4 PO4 C 349 >TYR.C 56 -41.24 17.60 7.53 -40.11 17.22 5.03 -40.67 17.41 6.28 3 0 20.70 -999 ? O4 PO4 C 349 >ARG.C 57 -40.16 11.74 13.21 -37.69 10.86 14.87 -38.93 11.30 14.04 2 0 17.31 -999 ? O4 PO4 C 349 >TYR.C 58 -41.92 7.88 6.18 -42.73 5.30 5.53 -42.33 6.59 5.85 3 0 25.51 -999 ? O4 PO4 C 349 >VAL.C 59 -43.16 6.87 10.20 -42.52 6.96 12.30 -42.84 6.91 11.25 3 0 21.21 -999 ? O4 PO4 C 349 >PRO.C 60 -43.90 2.66 9.15 -45.09 4.57 9.37 -44.49 3.61 9.26 3 0 24.88 -999 ? O4 PO4 C 349 >VAL^C 62 -49.89 0.65 12.30 -47.93 -0.40 12.33 -48.91 0.13 12.31 3 0 26.14 -999 ? O4 PO4 C 349 >SER~C 64 -51.01 -2.63 16.81 -51.42 -4.86 15.97 -51.21 -3.74 16.39 2 0 25.88 -999 ? C5 PG4 D 350 >VAL~C 65 -47.67 -3.95 18.13 -46.71 -4.12 20.13 -47.19 -4.03 19.13 3 0 23.11 -999 ? O3 PG4 D 350 >GLU~C 66 -49.32 -9.41 15.52 -48.32 -10.85 16.74 -48.82 -10.13 16.13 2 0 28.42 -999 ? C3 PG4 D 350 >ALA~C 67 -48.28 -5.14 12.94 -49.46 -4.26 12.54 -48.87 -4.70 12.74 2 0 28.90 -999 ? C5 PG4 D 350 >ALA~C 68 -45.24 -3.04 14.02 -45.15 -2.24 15.32 -45.20 -2.64 14.67 2 0 26.31 -999 ? O3 PG4 D 350 >LEU~C 69 -43.47 -7.58 14.69 -43.71 -8.16 16.77 -43.59 -7.87 15.73 3 0 28.49 -999 ? C3 PG4 D 350 >GLU~C 70 -43.64 -5.35 8.13 -45.41 -4.88 7.08 -44.53 -5.12 7.60 2 0 32.89 -999 ? O4 PO4 C 349 >TYR~C 71 -42.04 -1.21 10.11 -44.02 -0.84 8.15 -43.03 -1.02 9.13 3 0 28.61 -999 ? O4 PO4 C 349 >LYS~C 72 -38.31 -4.87 13.60 -38.37 -10.28 12.47 -38.34 -7.57 13.03 2 0 33.77 -999 ? C3 PG4 D 350 >PRO.C 73 -40.94 -2.80 16.46 -38.76 -2.85 15.94 -39.85 -2.83 16.20 3 0 27.15 -999 ? O4 PO4 C 349 >GLN.C 74 -34.20 -3.44 17.98 -32.28 -2.69 17.44 -33.24 -3.06 17.71 2 0 28.89 -999 ? O2 PO4 C 349 >VAL^C 75 -37.88 -0.82 22.07 -36.51 0.45 23.24 -37.19 -0.18 22.66 3 0 22.47 -999 ? C3 PG4 D 350 >LEU^C 76 -42.52 -1.05 23.25 -44.66 -0.95 22.67 -43.59 -1.00 22.96 3 0 19.49 -999 ? O3 PG4 D 350 >VAL^C 77 -42.07 3.51 24.23 -40.81 5.26 24.01 -41.44 4.39 24.12 3 0 17.89 -999 ? O3 PO4 C 349 >ILE^C 78 -45.84 3.81 27.27 -46.71 2.92 28.12 -46.27 3.37 27.69 3 0 13.09 -999 ? O3 PG4 D 350 >GLY.C 79 -46.35 7.57 24.19 -46.94 7.17 24.58 -46.64 7.37 24.39 1 0 14.41 -999 ? O3 PO4 C 349 >ILE.C 80 -50.92 7.07 25.05 -51.42 6.14 24.06 -51.17 6.60 24.56 3 0 14.76 -999 ? C5 PG4 D 350 >ALA.C 81 -51.31 8.31 29.27 -50.61 9.39 30.07 -50.96 8.85 29.67 2 0 9.82 -999 ? C5 PG4 D 350 >PRO.C 82 -54.24 6.25 31.83 -54.24 7.79 30.22 -54.24 7.02 31.03 3 0 8.54 -999 ? C5 PG4 D 350 >GLY.C 84 -56.51 10.28 34.21 -56.90 9.83 33.65 -56.70 10.05 33.93 1 0 7.31 -999 ? O4 PG4 D 350 >GLY.C 85 -56.18 6.72 35.54 -55.45 7.13 35.50 -55.82 6.92 35.52 1 0 5.52 -999 ? C5 PG4 D 350 >GLY.C 86 -53.55 4.02 36.09 -53.97 4.11 35.35 -53.76 4.07 35.72 1 0 4.20 -999 ? C5 PG4 D 350 >PRO.C 88 -55.38 2.84 30.04 -55.28 1.05 31.37 -55.33 1.95 30.70 3 0 10.17 -999 ? C5 PG4 D 350 >ASP.C 89 -58.19 -3.49 30.72 -58.73 -3.38 32.77 -58.46 -3.44 31.74 2 0 13.45 -999 ? C5 PG4 D 350 >ASP~C 90 -56.94 -1.99 25.63 -56.96 0.10 25.89 -56.95 -0.95 25.76 2 0 15.56 -999 ? C5 PG4 D 350 >TYR~C 91 -52.07 0.67 28.08 -52.42 3.42 27.72 -52.25 2.04 27.90 3 0 12.18 -999 ? C5 PG4 D 350 >TRP~C 92 -53.62 -4.70 31.38 -50.46 -4.47 33.71 -52.04 -4.59 32.55 3 0 12.27 -999 ? C3 PG4 D 350 >GLU~C 94 -51.22 -2.72 22.56 -51.13 -3.21 20.49 -51.17 -2.97 21.52 2 0 21.12 -999 ? C5 PG4 D 350 >THR~C 97 -46.79 -8.83 22.65 -48.31 -8.70 21.12 -47.55 -8.77 21.88 2 0 23.58 -999 ? C3 PG4 D 350 >ALA~C 98 -43.76 -6.51 22.55 -43.80 -5.04 22.97 -43.78 -5.77 22.76 2 0 20.93 -999 ? C3 PG4 D 350 >LEU~C 99 -42.41 -8.39 26.87 -42.13 -6.95 28.49 -42.27 -7.67 27.68 3 0 19.16 -999 ? C3 PG4 D 350 >ALA~C 101 -40.98 -10.30 20.66 -41.67 -9.32 19.72 -41.32 -9.81 20.19 2 0 26.29 -999 ? C3 PG4 D 350 >GLY.C 102 -37.71 -9.56 22.54 -38.24 -8.99 22.39 -37.97 -9.28 22.46 1 0 25.79 -999 ? C3 PG4 D 350 >MET?C 103 -38.24 -5.81 22.90 -41.27 -4.49 20.07 -39.76 -5.15 21.48 2 0 24.01 -999 ? C3 PG4 D 350 >SER^C 104 -37.52 -3.47 25.82 -35.15 -3.65 26.31 -36.34 -3.56 26.07 2 0 21.96 -999 ? C3 PG4 D 350 >VAL^C 106 -39.75 2.57 28.19 -38.27 3.98 27.41 -39.01 3.28 27.80 3 0 16.87 -999 ? C3 PG4 D 350 >ASN^C 107 -42.97 2.46 31.63 -44.77 2.90 32.68 -43.87 2.68 32.16 2 0 9.61 -999 ? C3 PG4 D 350 >GLY.C 108 -43.60 7.14 31.15 -44.12 6.54 31.35 -43.86 6.84 31.25 1 0 11.29 -999 ? O3 PG4 D 350 >LEU.C 109 -47.55 5.00 33.03 -48.95 4.51 31.45 -48.25 4.76 32.24 3 0 7.98 -999 ? O3 PG4 D 350 >HIS.C 110 -48.06 9.35 37.56 -47.54 11.38 37.75 -47.80 10.36 37.66 3 0 5.63 -999 ? C6 PG4 D 350 >THR.C 111 -47.70 3.36 37.51 -49.56 2.24 37.49 -48.63 2.80 37.50 2 0 -3.86 -999 ? C3 PG4 D 350s >PRO.C 112 -44.47 1.50 39.89 -44.98 1.80 37.72 -44.73 1.65 38.80 3 0 5.72 -999 ? O2 PG4 D 350 >LEU.C 113 -44.51 -1.43 33.80 -46.42 -0.80 32.96 -45.46 -1.12 33.38 3 0 10.04 -999 ? C3 PG4 D 350 >ALA.C 114 -40.63 -2.88 36.08 -39.47 -2.01 36.56 -40.05 -2.44 36.32 2 0 12.46 -999 ? O2 PG4 D 350 >ASN.C 115 -41.39 -4.75 40.31 -39.45 -3.87 40.40 -40.42 -4.31 40.36 2 0 12.48 -999 ? C8 PG4 C 350 >ILE~C 116 -45.79 -6.12 36.52 -47.08 -5.43 36.29 -46.44 -5.78 36.40 3 0 11.31 -999 ? C3 PG4 D 350 >PRO~C 117 -45.40 -10.53 39.80 -44.66 -10.00 37.76 -45.03 -10.27 38.78 3 0 15.24 -999 ? C3 PG4 D 350 >ASP~C 118 -47.97 -10.84 34.12 -49.33 -12.17 35.08 -48.65 -11.50 34.60 2 0 17.28 -999 ? C3 PG4 D 350 >LEU~C 119 -44.24 -7.17 32.77 -45.80 -5.85 31.99 -45.02 -6.51 32.38 3 0 14.36 -999 ? C3 PG4 D 350 >ASN~C 120 -40.48 -9.89 35.46 -40.04 -7.95 36.21 -40.26 -8.92 35.84 2 0 16.10 -999 ? C3 PG4 D 350 >ALA~C 121 -41.66 -13.47 32.88 -42.86 -14.29 33.36 -42.26 -13.88 33.12 2 0 21.00 -999 ? C3 PG4 D 350 >LEU.C 122 -43.21 -11.50 28.77 -45.19 -12.39 28.57 -44.20 -11.94 28.67 3 0 20.88 -999 ? C3 PG4 D 350 >LEU.C 123 -38.55 -9.07 30.67 -37.48 -7.18 30.70 -38.02 -8.12 30.69 3 0 19.71 -999 ? C3 PG4 D 350 >GLN.C 124 -37.37 -12.69 25.44 -37.51 -12.88 23.32 -37.44 -12.78 24.38 2 0 27.27 -999 ? C3 PG4 D 350 >PRO.C 125 -32.54 -14.03 28.20 -33.10 -11.85 28.17 -32.82 -12.94 28.19 3 0 27.10 -999 ? C3 PG4 D 350 >GLY.C 126 -30.68 -8.35 27.52 -31.45 -8.34 27.81 -31.07 -8.35 27.66 1 0 26.31 -999 ? O2 PG4 D 350 >GLN.C 127 -34.92 -7.61 25.54 -33.91 -6.30 24.19 -34.42 -6.95 24.87 2 0 25.17 -999 ? C3 PG4 D 350 >ILE^C 129 -39.40 -2.91 32.24 -40.73 -3.49 32.30 -40.06 -3.20 32.27 3 0 14.80 -999 ? C3 PG4 D 350 >TRP^C 130 -35.90 3.97 33.18 -35.19 6.75 30.48 -35.55 5.36 31.83 3 0 16.08 -999 ? O1 PG4 C 350 >ASP^C 131 -40.29 2.77 35.99 -41.53 1.06 35.77 -40.91 1.91 35.88 2 0 9.91 -999 ? O2 PG4 D 350 >VAL.C 132 -39.07 6.96 33.72 -39.07 7.99 31.75 -39.07 7.47 32.73 3 0 13.32 -999 ? O2 PG4 D 350 >ARG.C 133 -44.64 9.69 35.41 -46.86 11.41 34.11 -45.75 10.55 34.76 2 0 8.69 -999 ? C6 PG4 D 350 >GLU.C 135 -38.59 10.74 44.23 -39.39 10.87 46.20 -38.99 10.80 45.22 2 0 -3.67 -999 ? O1 PG4 C 350s >PRO.C 136 -34.81 11.84 41.25 -35.27 9.89 42.27 -35.04 10.87 41.76 3 0 -5.79 -999 ? O1 PG4 C 350s >ALA.C 137 -32.98 8.36 45.57 -32.22 7.01 45.61 -32.60 7.69 45.59 2 0 4.99 -999 ? O1 PG4 C 350 >ASN.C 138 -29.85 10.06 48.10 -29.27 8.04 48.24 -29.56 9.05 48.17 2 0 6.71 -999 ? C1 PG4 C 350 >LEU.C 139 -34.72 13.62 47.48 -34.93 13.62 45.32 -34.83 13.62 46.40 3 0 -4.28 -999 ? O1 PG4 C 350s >ASP.C 140 -31.75 16.85 51.07 -30.38 15.61 52.00 -31.06 16.23 51.54 2 0 7.74 -999 ? C2 PG4 C 350 >VAL.C 141 -35.28 19.14 51.50 -36.89 19.59 52.92 -36.08 19.36 52.21 3 0 9.08 -999 ? O2 PG4 C 350 >ALA.C 142 -33.86 22.03 49.44 -34.51 22.67 48.24 -34.19 22.35 48.84 2 0 12.35 -999 ? C2 PG4 C 350 >SER.C 143 -31.83 24.72 51.20 -29.72 23.61 51.01 -30.78 24.17 51.11 2 0 14.49 -999 ? C2 PG4 C 350 >GLY~C 144 -31.32 27.31 48.44 -30.80 26.72 48.62 -31.06 27.02 48.53 1 0 17.44 -999 ? C2 PG4 C 350 >ALA~C 145 -27.83 25.92 47.63 -27.40 24.47 47.83 -27.61 25.19 47.73 2 0 16.35 -999 ? C2 PG4 C 350 >ALA~C 146 -28.22 26.62 43.87 -29.46 26.35 43.06 -28.84 26.48 43.47 2 0 18.27 -999 ? C2 PG4 C 350 >ARG~C 147 -28.57 31.49 48.25 -26.95 30.26 50.59 -27.76 30.87 49.42 2 0 21.64 -999 ? C2 PG4 C 350 >THR~C 148 -24.12 29.68 45.29 -24.09 28.16 46.88 -24.11 28.92 46.08 2 0 21.31 -999 ? C2 PG4 C 350 >LEU~C 149 -24.26 27.54 40.96 -24.59 25.42 41.35 -24.43 26.48 41.16 3 0 21.32 -999 ? C2 PG4 C 350 >PRO.C 150 -19.94 28.72 39.08 -21.62 30.09 39.68 -20.78 29.40 39.38 3 0 19.10 -999 ? C1 PG4 A 350 >CYH.C 151 -23.43 29.67 36.17 -24.68 27.35 36.97 -24.06 28.51 36.57 2 0 19.97 -999 ? C1 PG4 A 350 >ARG^C 152 -26.55 34.01 32.08 -24.98 36.67 32.18 -25.76 35.34 32.13 2 0 15.32 -999 ? O1 PG4 A 350 >ARG^C 153 -28.52 27.96 39.05 -27.50 30.55 40.41 -28.01 29.25 39.73 2 0 21.82 -999 ? O2 PO4 C 349 >VAL^C 154 -32.52 29.91 33.17 -32.16 31.09 31.36 -32.34 30.50 32.26 3 0 14.37 -999 ? O2 PO4 C 349 >LEU^C 155 -36.54 28.59 35.26 -38.06 27.23 36.10 -37.30 27.91 35.68 3 0 11.46 -999 ? O2 PO4 C 349 >THR^C 156 -38.86 28.59 31.31 -38.38 27.31 29.59 -38.62 27.95 30.45 2 0 7.27 -999 ? O2 PO4 C 349 >VAL^C 157 -42.25 29.38 32.85 -41.62 30.80 34.41 -41.94 30.09 33.63 3 0 9.13 -999 ? O1 PO4 C 349 >GLY^C 158 -45.67 29.61 31.18 -45.83 29.70 31.90 -45.75 29.66 31.54 1 0 6.81 -999 ? O1 PO4 C 349 >THR.C 159 -49.22 30.92 31.00 -49.22 32.37 29.42 -49.22 31.64 30.21 2 0 9.76 -999 ? O1 PO4 C 349 >ASP.C 160 -51.44 27.30 29.48 -53.03 25.88 29.75 -52.24 26.59 29.62 2 0 8.57 -999 ? O1 PO4 C 349 >MET?C 161 -49.22 23.74 30.15 -50.36 21.52 33.56 -49.79 22.63 31.85 2 0 7.25 -999 ? O3 PO4 C 349 >ALA.C 162 -48.39 22.15 26.77 -49.65 21.28 26.51 -49.02 21.72 26.64 2 0 -4.71 -999 ? O3 PO4 C 349s >ILE.C 163 -47.85 26.70 25.83 -48.28 27.45 26.93 -48.07 27.08 26.38 3 0 -4.79 -999 ? O1 PO4 C 349s >GLY~C 164 -43.65 24.97 24.30 -43.77 25.11 25.06 -43.71 25.04 24.68 1 0 -3.64 -999 ? O4 PO4 C 349s >LYS~C 165 -41.72 25.46 27.54 -45.65 24.70 30.33 -43.68 25.08 28.94 2 0 -2.77 -999 ? O1 PO4 C 349s >MET?C 166 -39.46 22.46 26.76 -39.26 18.19 26.25 -39.36 20.32 26.51 2 0 -5.62 -999 ? O2 PO4 C 349s >SER~C 167 -38.98 23.58 23.13 -40.74 22.64 21.84 -39.86 23.11 22.49 2 0 5.88 -999 ? O4 PO4 C 349 >THR~C 168 -37.96 27.03 24.30 -39.13 28.80 24.77 -38.55 27.91 24.53 2 0 8.28 -999 ? O2 PO4 C 349 >SER~C 169 -35.40 25.65 26.78 -36.52 25.32 28.91 -35.96 25.49 27.84 2 0 7.39 -999 ? O2 PO4 C 349 >LEU~C 170 -34.82 22.27 23.31 -34.96 20.16 23.91 -34.89 21.21 23.61 3 0 9.15 -999 ? O2 PO4 C 349 >GLU~C 171 -35.81 26.11 19.98 -35.09 25.51 18.09 -35.45 25.81 19.04 2 0 12.90 -999 ? O2 PO4 C 349 >LEU~C 172 -32.58 29.02 25.18 -33.78 30.85 25.40 -33.18 29.94 25.29 3 0 12.83 -999 ? O2 PO4 C 349 >HIS~C 173 -28.98 23.20 25.42 -27.39 21.83 25.46 -28.19 22.51 25.44 3 0 15.03 -999 ? O2 PO4 C 349 >TRP~C 174 -29.82 21.90 21.11 -33.50 21.40 19.83 -31.66 21.65 20.47 3 0 13.47 -999 ? O2 PO4 C 349 >ALA~C 175 -28.16 28.46 20.32 -29.18 29.57 20.45 -28.67 29.02 20.39 2 0 17.02 -999 ? O2 PG4 A 350 >ALA~C 176 -25.95 28.73 23.42 -26.39 28.45 24.83 -26.17 28.59 24.13 2 0 15.03 -999 ? O2 PG4 A 350 >LEU~C 178 -24.57 27.63 17.87 -25.35 26.37 16.30 -24.96 27.00 17.09 3 0 14.44 -999 ? O2 PG4 A 350 >ARG~C 179 -24.98 33.12 21.00 -27.25 35.17 20.85 -26.11 34.15 20.92 2 0 14.85 -999 ? O2 PG4 A 350 >GLY.C 180 -19.46 28.72 22.15 -20.11 28.91 22.57 -19.79 28.81 22.36 1 0 8.23 -999 ? O2 PG4 A 350 >TRP.C 181 -23.22 31.17 24.81 -20.89 33.85 26.48 -22.06 32.51 25.64 3 0 10.24 -999 ? C1 PG4 A 350 >ARG.C 182 -17.19 25.58 29.52 -16.27 25.77 32.47 -16.73 25.67 30.99 2 0 12.42 -999 ? C6 PG4 A 350 >SER^C 183 -24.45 24.87 27.97 -26.59 25.58 27.05 -25.52 25.23 27.51 2 0 16.83 -999 ? O2 PO4 C 349 >LYS^C 184 -26.52 22.11 29.66 -26.07 16.73 31.07 -26.30 19.42 30.37 2 0 18.13 -999 ? O2 PO4 C 349 >PHE^C 185 -32.25 20.50 28.06 -34.90 19.75 28.17 -33.57 20.13 28.12 3 0 9.69 -999 ? O2 PO4 C 349 >LEU^C 186 -31.51 20.62 33.77 -29.48 20.59 34.66 -30.50 20.61 34.21 3 0 14.24 -999 ? O2 PO4 C 349 >ALA.C 187 -34.89 17.65 31.97 -34.86 16.31 31.26 -34.87 16.98 31.61 2 0 10.66 -999 ? O2 PO4 C 349 >THR.C 188 -37.76 18.01 34.48 -37.79 20.16 34.48 -37.78 19.08 34.48 2 0 8.83 -999 ? O2 PO4 C 349 >GLY~C 189 -40.49 15.78 32.96 -39.70 15.56 32.71 -40.10 15.67 32.83 1 0 8.64 -999 ? O2 PO4 C 349 >GLN~C 190 -43.39 12.11 31.01 -44.93 10.78 30.39 -44.16 11.44 30.70 2 0 10.75 -999 ? O3 PO4 C 349 >THR~C 191 -40.48 13.53 27.76 -41.93 14.27 26.36 -41.21 13.90 27.06 2 0 8.00 -999 ? O2 PO4 C 349 >GLY~C 192 -37.38 15.60 28.56 -37.54 14.80 28.74 -37.46 15.20 28.65 1 0 8.67 -999 ? O2 PO4 C 349 >VAL~C 193 -35.80 12.65 30.40 -35.89 11.97 32.50 -35.85 12.31 31.45 3 0 12.73 -999 ? O2 PO4 C 349 >MET?C 194 -36.50 10.20 27.56 -40.33 8.56 27.16 -38.42 9.38 27.36 2 0 13.76 -999 ? O3 PO4 C 349 >LEU~C 195 -35.47 14.06 24.80 -36.94 14.48 23.27 -36.21 14.27 24.04 3 0 11.00 -999 ? O2 PO4 C 349 >GLU~C 196 -32.17 15.85 27.58 -30.80 16.36 26.07 -31.49 16.10 26.83 2 0 13.61 -999 ? O2 PO4 C 349 >GLY~C 197 -31.53 10.08 29.11 -31.70 10.77 29.54 -31.62 10.43 29.32 1 0 16.71 -999 ? O2 PO4 C 349 >ASP.C 198 -29.82 11.85 32.90 -29.50 11.63 35.01 -29.66 11.74 33.95 2 0 14.11 -999 ? O1 PG4 C 350 >GLY.C 199 -32.88 14.56 34.60 -33.00 13.70 34.89 -32.94 14.13 34.74 1 0 14.01 -999 ? O1 PG4 C 350 >VAL.C 200 -35.89 14.17 36.88 -36.25 15.34 38.71 -36.07 14.76 37.79 3 0 10.81 -999 ? O1 PG4 C 350 >ALA~C 201 -39.60 13.45 36.30 -40.20 12.08 36.02 -39.90 12.77 36.16 2 0 12.26 -999 ? O1 PG4 C 350 >LEU~C 202 -40.44 17.70 38.50 -40.10 19.13 40.10 -40.27 18.42 39.30 3 0 12.40 -999 ? O3 PO4 C 349 >ASP~C 203 -45.27 15.71 37.60 -45.14 14.14 36.20 -45.21 14.92 36.90 2 0 10.24 -999 ? C6 PG4 D 350 >ALA~C 204 -43.72 12.08 40.27 -43.19 10.95 39.41 -43.45 11.52 39.84 2 0 8.41 -999 ? C1 PG4 D 350 >VAL~C 205 -41.60 13.42 43.18 -39.60 14.35 43.22 -40.60 13.88 43.20 3 0 7.42 -999 ? O1 PG4 C 350 >ARG~C 206 -42.81 10.68 48.87 -40.18 9.57 50.03 -41.49 10.13 49.45 2 0 -3.06 -999 ? O3 PG4 C 350s >VAL~C 207 -44.09 17.39 47.51 -46.00 18.49 47.81 -45.04 17.94 47.66 3 0 11.82 -999 ? O2 PG4 C 350 >ASP~C 208 -41.61 16.40 51.56 -41.24 17.22 53.47 -41.42 16.81 52.51 2 0 8.73 -999 ? O2 PG4 C 350 >PHE~C 209 -38.21 14.67 49.53 -38.41 13.44 51.99 -38.31 14.06 50.76 3 0 4.08 -999 ? O2 PG4 C 350 >ALA~C 210 -39.73 18.40 44.95 -41.09 18.98 44.68 -40.41 18.69 44.82 2 0 10.91 -999 ? O1 PG4 C 350 >ALA~C 211 -37.50 21.48 45.38 -37.66 22.61 46.37 -37.58 22.05 45.88 2 0 12.74 -999 ? C2 PG4 C 350 >GLY~C 212 -34.69 19.16 46.59 -35.10 19.11 45.88 -34.89 19.13 46.24 1 0 9.26 -999 ? C2 PG4 C 350 >ALA~C 213 -34.93 17.01 43.45 -36.20 16.37 42.93 -35.56 16.69 43.19 2 0 8.04 -999 ? O1 PG4 C 350 >VAL~C 214 -34.46 20.17 41.38 -35.85 21.63 40.54 -35.16 20.90 40.96 3 0 12.97 -999 ? O1 PG4 C 350 >GLU~C 215 -30.56 22.29 45.75 -30.82 22.67 47.79 -30.69 22.48 46.77 2 0 13.26 -999 ? C2 PG4 C 350 >GLN~C 216 -29.55 15.50 43.86 -30.62 13.67 44.21 -30.09 14.59 44.03 2 0 7.49 -999 ? O1 PG4 C 350 >MET?C 217 -29.84 18.01 39.68 -32.51 17.73 36.35 -31.18 17.87 38.02 2 0 14.10 -999 ? O1 PG4 C 350 >VAL~C 218 -28.78 21.64 39.37 -29.76 23.61 39.33 -29.27 22.62 39.35 3 0 16.70 -999 ? O1 PG4 C 350 >MET?C 219 -25.91 21.16 41.90 -26.04 23.59 44.19 -25.98 22.37 43.05 2 0 17.15 -999 ? C2 PG4 C 350 >ARG~C 220 -25.78 14.58 38.60 -28.17 14.03 40.55 -26.98 14.30 39.57 2 0 11.31 -999 ? O1 PG4 C 350 >TYR~C 221 -25.26 18.68 35.52 -25.91 16.01 35.07 -25.58 17.35 35.29 3 0 17.74 -999 ? O1 PG4 C 350 >GLY~C 222 -23.73 23.95 37.95 -23.14 23.48 37.89 -23.44 23.71 37.92 1 0 21.11 -999 ? O1 PG4 C 350 >LYS~C 223 -19.98 24.16 38.56 -19.29 22.78 44.77 -19.64 23.47 41.66 2 0 21.04 -999 ? C2 PG4 C 350 >ASN~C 224 -19.05 21.33 34.82 -18.35 20.29 36.53 -18.70 20.81 35.67 2 0 19.07 -999 ? C6 PG4 A 350 >TYR~C 225 -22.42 22.90 31.89 -22.15 20.23 31.17 -22.29 21.57 31.53 3 0 18.05 -999 ? C6 PG4 A 350 >ASP.C 226 -21.22 29.31 30.63 -19.17 29.03 30.27 -20.19 29.17 30.45 2 0 11.40 -999 ? C1 PG4 A 350 >ILE^C 227 -26.03 29.13 30.48 -26.88 29.47 29.42 -26.46 29.30 29.95 3 0 16.57 -999 ? C1 PG4 A 350 >LEU^C 228 -28.14 25.24 34.24 -26.56 24.10 35.24 -27.35 24.67 34.74 3 0 17.42 -999 ? O2 PO4 C 349 >HIS^C 229 -30.48 26.35 28.68 -29.26 27.76 27.72 -29.87 27.05 28.20 3 0 14.09 -999 ? O2 PO4 C 349 >ILE^C 230 -34.25 24.51 34.77 -33.67 24.66 35.41 -33.96 24.59 35.09 3 0 12.01 -999 ? O2 PO4 C 349 >GLU.C 231 -38.62 20.97 30.45 -38.95 18.93 30.05 -38.79 19.95 30.25 2 0 5.70 -999 ? O2 PO4 C 349 >GLY.C 232 -40.24 24.30 32.80 -40.26 23.59 32.39 -40.25 23.94 32.60 1 0 6.26 -999 ? O2 PO4 C 349 >GLN.C 233 -41.96 20.45 34.49 -42.18 19.37 32.68 -42.07 19.91 33.58 2 0 5.69 -999 ? O3 PO4 C 349 >GLY.C 234 -46.93 23.60 34.75 -46.44 24.03 34.33 -46.69 23.81 34.54 1 0 6.98 -999 ? O3 PO4 C 349 >SER.C 235 -48.25 27.10 35.26 -49.51 28.80 34.06 -48.88 27.95 34.66 2 0 9.23 -999 ? O1 PO4 C 349 >LEU.C 236 -48.29 30.43 38.79 -46.56 30.05 40.04 -47.42 30.24 39.41 3 0 13.51 -999 ? O1 PO4 C 349 >LEU.C 237 -52.35 30.84 34.89 -51.55 32.85 34.62 -51.95 31.85 34.76 3 0 12.76 -999 ? O1 PO4 C 349 >HIS.C 238 -53.20 24.10 34.96 -54.25 22.32 34.57 -53.73 23.21 34.76 3 0 10.74 -999 ? O3 PO4 C 349 >PRO.C 239 -57.39 25.08 37.22 -55.45 25.59 38.21 -56.42 25.34 37.72 3 0 15.07 -999 ? O3 PO4 C 349 >GLY.C 240 -54.22 21.90 39.17 -53.71 22.48 38.96 -53.96 22.19 39.07 1 0 13.96 -999 ? O4 PG4 D 350 >SER.C 241 -50.53 22.77 38.79 -48.65 23.56 37.48 -49.59 23.17 38.13 2 0 9.97 -999 ? O3 PO4 C 349 >THR.C 242 -47.88 22.66 41.54 -48.06 21.40 43.36 -47.97 22.03 42.45 2 0 14.00 -999 ? O5 PG4 D 350 >ALA~C 243 -44.58 22.06 39.66 -44.50 21.19 38.39 -44.54 21.62 39.03 2 0 10.07 -999 ? O3 PO4 C 349 >THR~C 244 -43.52 25.65 38.88 -44.31 27.18 37.52 -43.92 26.42 38.20 2 0 10.31 -999 ? O1 PO4 C 349 >LEU~C 245 -43.87 26.31 43.72 -43.76 27.54 45.51 -43.82 26.93 44.62 3 0 17.13 -999 ? O1 PO4 C 349 >PRO~C 246 -41.91 22.10 42.73 -40.89 24.05 43.13 -41.40 23.08 42.93 3 0 15.09 -999 ? O1 PG4 C 350 >LEU~C 247 -39.19 24.58 38.48 -39.42 22.91 37.09 -39.30 23.74 37.78 3 0 10.93 -999 ? O2 PO4 C 349 >ILE~C 248 -39.17 29.16 41.22 -39.84 30.40 40.95 -39.50 29.78 41.09 3 0 15.56 -999 ? O1 PO4 C 349 >ARG~C 249 -38.85 28.76 46.96 -40.48 31.26 46.10 -39.66 30.01 46.53 2 0 17.71 -999 ? O4 PO4 D 349 >GLY~C 250 -34.85 24.44 43.72 -34.85 25.15 43.35 -34.85 24.79 43.54 1 0 15.20 -999 ? C2 PG4 C 350 >SER~C 251 -33.02 26.07 40.83 -34.62 26.93 39.20 -33.82 26.50 40.02 2 0 15.10 -999 ? O2 PO4 C 349 >GLN~C 252 -31.89 28.94 44.68 -33.00 30.08 46.12 -32.45 29.51 45.40 2 0 20.11 -999 ? C2 PG4 C 350 >PRO.C 253 -35.34 30.86 39.01 -33.12 30.59 39.39 -34.23 30.73 39.20 3 0 16.90 -999 ? O2 PO4 C 349 >THR.C 254 -30.89 33.85 37.59 -28.87 33.18 37.19 -29.88 33.51 37.39 2 0 20.37 -999 ? O2 PO4 C 349 >GLN^C 255 -31.54 35.93 33.35 -29.61 35.34 34.05 -30.57 35.64 33.70 2 0 19.93 -999 ? O2 PO4 C 349 >LEU^C 256 -38.05 33.98 34.59 -38.54 33.11 36.53 -38.29 33.54 35.56 3 0 14.16 -999 ? O1 PO4 C 349 >VAL^C 257 -38.24 33.29 30.17 -37.13 32.83 28.32 -37.68 33.06 29.24 3 0 11.92 -999 ? O1 PO4 C 349 >LEU^C 258 -42.80 34.70 30.35 -44.84 34.60 31.15 -43.82 34.65 30.75 3 0 11.37 -999 ? O1 PO4 C 349 >VAL^C 259 -43.65 31.25 27.31 -42.81 29.35 26.64 -43.23 30.30 26.98 3 0 6.85 -999 ? O1 PO4 C 349 >HIS^C 260 -48.83 33.87 26.09 -50.85 34.38 25.82 -49.84 34.12 25.95 3 0 11.63 -999 ? O1 PO4 C 349 >ARG^C 261 -51.94 28.25 21.63 -51.22 25.74 23.33 -51.58 26.99 22.48 2 0 7.89 -999 ? O4 PO4 C 349 >ALA.C 262 -50.44 33.90 21.10 -49.80 34.39 19.83 -50.12 34.15 20.47 2 0 14.18 -999 ? O1 PO4 C 349 >GLY.C 263 -54.20 34.53 21.28 -53.83 34.17 21.88 -54.01 34.35 21.58 1 0 15.64 -999 ? O1 PO4 C 349 >GLN.C 264 -54.76 30.03 25.62 -53.57 28.46 26.44 -54.17 29.24 26.03 2 0 9.92 -999 ? O1 PO4 C 349 >THR.C 265 -57.14 33.92 26.73 -58.62 34.64 25.31 -57.88 34.28 26.02 2 0 17.66 -999 ? O1 PO4 C 349 >HIS.C 266 -60.48 31.92 28.90 -61.75 33.58 29.06 -61.11 32.75 28.98 3 0 18.53 -999 ? O1 PO4 C 349 >ASN.C 267 -56.89 27.38 32.00 -55.68 25.71 32.54 -56.29 26.55 32.27 2 0 11.87 -999 ? O1 PO4 C 349 >GLY.C 268 -56.98 24.93 28.04 -57.19 24.96 28.84 -57.08 24.94 28.44 1 0 12.08 -999 ? O1 PO4 C 349 >ASN.C 269 -57.17 21.55 31.51 -55.49 20.56 30.60 -56.33 21.05 31.06 2 0 10.45 -999 ? O3 PO4 C 349 >ASN.C 270 -59.71 24.81 33.93 -59.02 22.97 34.76 -59.37 23.89 34.34 2 0 15.22 -999 ? O3 PO4 C 349 >PRO.C 271 -62.52 25.23 28.88 -61.63 26.58 30.44 -62.07 25.90 29.66 3 0 17.35 -999 ? O1 PO4 C 349 >HIS.C 272 -63.70 27.74 35.03 -62.68 26.43 36.32 -63.19 27.09 35.67 3 0 20.13 -999 ? O1 PO4 C 349 >VAL.C 273 -60.10 30.19 34.20 -58.93 29.13 35.71 -59.51 29.66 34.95 3 0 17.25 -999 ? O1 PO4 C 349 >PRO.C 274 -59.60 34.57 34.09 -58.99 32.79 32.87 -59.29 33.68 33.48 3 0 18.34 -999 ? O1 PO4 C 349 >ILE.C 275 -54.36 33.61 30.15 -53.34 32.86 29.45 -53.85 33.24 29.80 3 0 13.16 -999 ? O1 PO4 C 349 >PRO.C 276 -53.83 36.49 34.85 -54.49 36.81 32.72 -54.16 36.65 33.78 3 0 16.94 -999 ? O1 PO4 C 349 >PRO~C 277 -54.35 41.64 31.32 -53.10 39.78 31.12 -53.73 40.71 31.22 3 0 19.41 -999 ? O1 PO4 C 349 >LEU~C 278 -48.07 39.32 29.06 -47.82 37.55 27.79 -47.94 38.43 28.42 3 0 15.02 -999 ? O1 PO4 C 349 >PRO~C 279 -48.66 43.79 30.79 -48.10 41.97 31.93 -48.38 42.88 31.36 3 0 19.77 -999 ? O1 PO4 C 349 >GLU~C 280 -51.90 42.15 35.36 -51.16 43.57 36.78 -51.53 42.86 36.07 2 0 22.63 -999 ? O1 PO4 C 349 >VAL~C 281 -48.40 37.31 34.67 -48.92 35.72 33.24 -48.66 36.52 33.96 3 0 14.65 -999 ? O1 PO4 C 349 >ILE~C 282 -44.33 39.85 33.80 -43.47 40.39 32.81 -43.90 40.12 33.30 3 0 17.32 -999 ? O1 PO4 C 349 >ARG~C 283 -47.36 43.82 38.18 -45.87 46.48 37.65 -46.61 45.15 37.92 2 0 24.80 -999 ? O1 PO4 C 349 >LEU~C 284 -48.03 36.26 38.78 -49.00 34.50 39.64 -48.52 35.38 39.21 3 0 16.67 -999 ? O1 PO4 C 349 >TYR~C 285 -44.26 33.47 36.56 -45.76 31.25 35.74 -45.01 32.36 36.15 3 0 11.99 -999 ? O1 PO4 C 349 >GLU~C 286 -40.61 39.13 37.58 -40.31 41.01 36.65 -40.46 40.07 37.11 2 0 19.95 -999 ? O1 PO4 C 349 >THR~C 287 -43.08 38.07 43.05 -44.80 39.16 43.76 -43.94 38.62 43.40 2 0 22.18 -999 ? O1 PO4 C 349 >VAL~C 288 -43.10 34.31 43.52 -44.38 32.62 42.93 -43.74 33.46 43.23 3 0 18.26 -999 ? O1 PO4 C 349 >ALA~C 289 -39.41 34.12 42.48 -38.86 34.40 41.06 -39.14 34.26 41.77 2 0 18.06 -999 ? O1 PO4 C 349 >SER~C 290 -38.30 36.92 44.82 -39.99 38.64 44.69 -39.15 37.78 44.76 2 0 22.36 -999 ? O4 PO4 D 349 >GLY~C 291 -40.50 35.55 47.63 -40.37 36.37 47.40 -40.43 35.96 47.52 1 0 18.24 -999 ? O4 PO4 D 349 >GLY~C 292 -41.43 39.15 48.42 -40.69 38.80 48.44 -41.06 38.98 48.43 1 0 19.56 -999 ? O4 PO4 D 349 >GLY~C 293 -37.76 39.68 49.36 -37.98 38.91 49.39 -37.87 39.30 49.38 1 0 20.66 -999 ? O4 PO4 D 349 >ALA~C 294 -36.72 36.26 50.70 -37.65 35.11 51.01 -37.19 35.68 50.86 2 0 16.90 -999 ? O4 PO4 D 349 >PHE.C 295 -35.98 33.23 47.56 -37.26 31.40 49.20 -36.62 32.31 48.38 3 0 18.04 -999 ? O4 PO4 D 349 >GLY.C 296 -32.91 37.54 44.99 -33.65 37.14 44.90 -33.28 37.34 44.94 1 0 24.74 -999 ? O4 PO4 D 349 >THR.C 297 -34.87 39.45 42.36 -35.27 41.56 42.05 -35.07 40.51 42.21 2 0 24.78 -999 ? O1 PO4 C 349 >VAL.C 298 -35.30 37.20 39.31 -35.06 35.05 39.43 -35.18 36.12 39.37 3 0 19.56 -999 ? O1 PO4 C 349 >PRO.C 299 -34.13 39.33 35.64 -36.02 38.67 36.65 -35.07 39.00 36.15 3 0 20.01 -999 ? O1 PO4 C 349 >VAL^C 300 -38.52 37.72 33.24 -40.61 37.11 32.94 -39.56 37.42 33.09 3 0 15.63 -999 ? O1 PO4 C 349 >VAL^C 301 -35.98 38.72 30.59 -34.20 37.47 30.93 -35.09 38.09 30.76 3 0 17.68 -999 ? O1 PO4 C 349 >GLY^C 302 -38.20 38.03 27.59 -38.48 37.54 28.20 -38.34 37.78 27.89 1 0 15.82 -999 ? O1 PO4 C 349 >ILE^C 303 -42.52 37.12 26.03 -43.76 37.61 26.46 -43.14 37.37 26.24 3 0 13.85 -999 ? O1 PO4 C 349 >ALA^C 304 -41.24 33.18 23.93 -40.56 31.88 24.34 -40.90 32.53 24.13 2 0 9.91 -999 ? O1 PO4 C 349 >LEU^C 305 -44.72 34.87 21.20 -46.59 35.97 21.29 -45.65 35.42 21.25 3 0 13.43 -999 ? O1 PO4 C 349 >ASN^C 306 -46.37 29.17 21.30 -46.92 27.39 20.25 -46.65 28.28 20.78 2 0 8.19 -999 ? O4 PO4 C 349 >THR.C 307 -47.35 31.27 17.04 -45.92 32.81 16.45 -46.63 32.04 16.75 2 0 14.50 -999 ? O4 PO4 C 349 >ALA.C 308 -47.63 27.77 15.40 -47.50 26.46 16.16 -47.57 27.12 15.78 2 0 11.16 -999 ? O4 PO4 C 349 >HIS.C 309 -52.33 29.51 16.61 -52.04 31.11 17.93 -52.19 30.31 17.27 3 0 14.15 -999 ? O4 PO4 C 349 >LEU.C 310 -50.42 32.85 13.54 -51.63 33.83 15.10 -51.02 33.34 14.32 3 0 17.45 -999 ? O4 PO4 C 349 >ASP~C 311 -50.03 32.79 8.00 -51.02 34.70 8.05 -50.53 33.74 8.03 2 0 22.87 -999 ? O4 PO4 C 349 >GLU~C 312 -43.40 34.54 8.60 -41.92 34.59 7.07 -42.66 34.56 7.84 2 0 22.95 -999 ? O4 PO4 C 349 >TYR~C 313 -48.51 39.37 7.07 -48.60 42.05 6.33 -48.55 40.71 6.70 3 0 27.17 -999 ? O4 PO4 C 349 >ALA~C 314 -49.85 37.16 11.69 -51.06 36.23 11.72 -50.45 36.70 11.70 2 0 21.13 -999 ? O4 PO4 C 349 >ALA~C 315 -46.99 35.68 13.73 -46.10 34.53 13.27 -46.54 35.10 13.50 2 0 17.93 -999 ? O4 PO4 C 349 >LYS~C 316 -44.69 38.73 13.31 -40.21 38.10 9.89 -42.45 38.42 11.60 2 0 23.27 -999 ? O4 PO4 C 349 >ALA~C 318 -48.31 39.11 17.38 -48.73 37.65 17.44 -48.52 38.38 17.41 2 0 17.77 -999 ? O1 PO4 C 349 >ILE~C 319 -43.40 38.81 17.53 -42.24 38.01 17.34 -42.82 38.41 17.43 3 0 18.11 -999 ? O1 PO4 C 349 >ALA~C 320 -44.64 43.07 17.84 -44.87 43.74 16.50 -44.76 43.41 17.17 2 0 23.00 -999 ? O1 PO4 C 349 >HIS~C 321 -50.23 42.88 20.64 -51.67 43.34 22.10 -50.95 43.11 21.37 3 0 21.29 -999 ? O1 PO4 C 349 >THR~C 322 -46.40 41.58 22.75 -46.20 39.47 23.18 -46.30 40.53 22.97 2 0 16.46 -999 ? O1 PO4 C 349 >ILE~C 323 -42.27 43.91 21.45 -41.01 43.83 20.77 -41.64 43.87 21.11 3 0 21.49 -999 ? O1 PO4 C 349 >ALA~C 324 -45.32 46.91 22.70 -46.27 47.33 21.61 -45.80 47.12 22.16 2 0 24.45 -999 ? O1 PO4 C 349 >GLU~C 325 -49.52 44.21 26.45 -50.31 42.24 26.60 -49.91 43.23 26.52 2 0 19.31 -999 ? O1 PO4 C 349 >THR~C 326 -44.68 44.29 27.77 -44.53 42.23 27.09 -44.61 43.26 27.43 2 0 18.52 -999 ? O1 PO4 C 349 >GLY~C 327 -41.66 46.37 26.74 -41.71 45.54 26.84 -41.69 45.95 26.79 1 0 22.90 -999 ? O1 PO4 C 349 >LEU.C 328 -40.08 42.02 27.64 -39.81 41.79 29.77 -39.95 41.91 28.70 3 0 18.88 -999 ? O1 PO4 C 349 >PRO.C 329 -35.78 41.61 25.43 -37.88 41.63 24.63 -36.83 41.62 25.03 3 0 19.86 -999 ? O1 PO4 C 349 >CYH^C 330 -39.83 38.74 22.16 -42.53 38.02 21.91 -41.18 38.38 22.03 2 0 15.66 -999 ? O1 PO4 C 349 >THR^C 331 -39.89 36.19 19.34 -38.09 35.37 18.43 -38.99 35.78 18.89 2 0 16.46 -999 ? O1 PO4 C 349 >ASP~C 332 -42.20 32.39 17.40 -42.88 30.35 17.40 -42.54 31.37 17.40 2 0 12.18 -999 ? O4 PO4 C 349 >VAL~C 333 -37.81 30.84 19.13 -37.56 30.49 21.30 -37.69 30.67 20.21 3 0 12.55 -999 ? O2 PO4 C 349 >VAL~C 334 -38.89 27.67 17.32 -40.16 25.95 17.84 -39.53 26.81 17.58 3 0 11.08 -999 ? O4 PO4 C 349 >ARG~C 335 -43.40 31.02 13.21 -46.07 30.90 11.67 -44.73 30.96 12.44 2 0 16.94 -999 ? O4 PO4 C 349 >PHE~C 336 -39.42 34.04 13.48 -41.90 34.29 12.27 -40.66 34.16 12.88 3 0 18.40 -999 ? O4 PO4 C 349 >GLY~C 337 -34.47 31.36 16.09 -35.14 31.66 16.46 -34.81 31.51 16.28 1 0 17.12 -999 ? O2 PO4 C 349 >ALA~C 338 -33.54 31.76 19.76 -33.13 30.53 20.58 -33.34 31.14 20.17 2 0 14.81 -999 ? O2 PO4 C 349 >ASP~C 339 -30.42 35.10 18.03 -29.05 33.77 17.12 -29.73 34.44 17.58 2 0 17.02 -999 ? O2 PG4 A 350 >VAL~C 340 -33.29 37.43 20.49 -35.01 38.51 19.58 -34.15 37.97 20.03 3 0 19.51 -999 ? O1 PO4 C 349 >LEU~C 341 -35.17 34.77 24.10 -37.28 35.35 24.17 -36.23 35.06 24.14 3 0 14.78 -999 ? O1 PO4 C 349 >LEU~C 342 -29.81 33.38 23.40 -28.23 32.07 24.12 -29.02 32.73 23.76 3 0 16.66 -999 ? O2 PG4 A 350 >ASP~C 343 -29.47 38.91 22.93 -28.30 38.51 21.17 -28.89 38.71 22.05 2 0 16.17 -999 ? O1 PG4 A 350 >ALA~C 344 -31.78 38.95 26.74 -33.30 38.86 26.59 -32.54 38.90 26.67 2 0 19.14 -999 ? O1 PO4 C 349 >VAL~C 345 -30.67 36.14 29.03 -31.13 34.00 29.21 -30.90 35.07 29.12 3 0 17.84 -999 ? O2 PO4 C 349 >MET?C 346 -26.90 36.56 28.57 -25.74 33.47 28.42 -26.32 35.01 28.49 2 0 14.44 -999 ? C1 PG4 A 350 >GLN~C 347 -28.44 41.71 27.13 -28.62 42.30 25.08 -28.53 42.00 26.11 2 0 17.39 -999 ? O1 PG4 A 350 >ASN.C 348 -30.06 39.54 32.39 -31.15 40.21 34.08 -30.61 39.87 33.23 2 0 21.93 -999 ? O1 PG4 A 350 >LEU.D 3 -57.36 2.84 63.58 -55.59 1.67 64.01 -56.47 2.25 63.79 3 0 21.08 -999 ? O5 PG4 D 350 >PRO.D 4 -62.15 1.35 65.88 -61.06 3.19 65.20 -61.60 2.27 65.54 3 0 23.88 -999 ? O5 PG4 D 350 >GLN.D 7 -59.25 1.59 69.31 -58.64 -0.16 68.30 -58.95 0.72 68.80 2 0 26.21 -999 ? C6 PG4 C 350 >ARG.D 8 -57.65 0.93 76.64 -57.42 1.44 79.66 -57.53 1.18 78.15 2 0 29.91 -999 ? O2 PO4 D 349 >VAL^D 9 -52.94 4.87 72.79 -52.92 6.53 71.33 -52.93 5.70 72.06 3 0 21.30 -999 ? O1 PO4 D 349 >ALA^D 10 -49.31 4.33 73.71 -48.80 2.93 73.95 -49.06 3.63 73.83 2 0 23.89 -999 ? O2 PO4 D 349 >ILE^D 11 -47.13 8.43 72.38 -47.56 9.75 72.02 -47.35 9.09 72.20 3 0 17.55 -999 ? O2 PO4 D 349 >LEU^D 12 -43.02 5.08 69.98 -41.32 3.75 69.83 -42.17 4.42 69.91 3 0 18.47 -999 ? C6 PG4 C 350 >LEU.D 13 -42.69 9.91 73.11 -43.43 11.94 72.75 -43.06 10.93 72.93 3 0 16.81 -999 ? O2 PO4 D 349 >HIS.D 14 -37.83 5.64 73.04 -38.41 3.86 73.97 -38.12 4.75 73.51 3 0 21.26 -999 ? C4 PG4 C 350 >GLU.D 15 -33.73 9.80 72.63 -32.07 9.73 71.31 -32.90 9.77 71.97 2 0 19.32 -999 ? C4 PG4 C 350 >GLY.D 16 -38.65 13.48 72.21 -38.70 13.32 72.96 -38.67 13.40 72.58 1 0 16.14 -999 ? O2 PO4 D 349 >THR.D 17 -40.66 14.38 75.33 -41.73 13.09 76.71 -41.20 13.74 76.02 2 0 18.04 -999 ? O2 PO4 D 349 >THR.D 18 -38.03 16.95 76.32 -37.64 16.25 78.33 -37.83 16.60 77.33 2 0 19.18 -999 ? O2 PO4 D 349 >GLY.D 19 -35.71 16.74 73.26 -36.52 17.01 73.21 -36.11 16.88 73.23 1 0 16.61 -999 ? O2 PO4 D 349 >THR.D 20 -36.38 18.01 69.72 -34.45 18.87 69.35 -35.42 18.44 69.54 2 0 14.77 -999 ? O2 PO4 D 349 >ILE.D 21 -36.63 13.70 67.46 -35.61 12.77 67.75 -36.12 13.24 67.61 3 0 15.54 -999 ? C4 PG4 C 350 >GLY~D 22 -40.91 14.48 69.44 -40.82 15.16 69.11 -40.86 14.82 69.28 1 0 12.96 -999 ? O2 PO4 D 349 >THR~D 24 -45.56 14.64 66.69 -45.66 13.25 65.02 -45.61 13.94 65.86 2 0 11.02 -999 ? O3 PO4 D 349 >GLY~D 25 -46.02 12.94 70.06 -45.99 13.73 69.92 -46.01 13.34 69.99 1 0 13.17 -999 ? O2 PO4 D 349 >LEU~D 26 -44.90 17.19 72.14 -43.20 17.14 73.50 -44.05 17.17 72.82 3 0 12.02 -999 ? O2 PO4 D 349 >ALA~D 27 -48.66 17.60 69.69 -48.49 17.70 68.18 -48.58 17.65 68.94 2 0 8.25 -999 ? O2 PO4 D 349 >LEU~D 28 -50.42 13.06 69.98 -50.70 12.02 68.07 -50.56 12.54 69.02 3 0 13.53 -999 ? O2 PO4 D 349 >LEU~D 29 -49.12 14.74 74.89 -48.13 12.96 75.62 -48.62 13.85 75.25 3 0 15.78 -999 ? O2 PO4 D 349 >ARG~D 30 -49.79 21.88 72.70 -47.47 22.25 74.75 -48.63 22.07 73.72 2 0 11.31 -999 ? O2 PO4 D 349 >TYR~D 31 -53.52 20.07 70.01 -52.37 22.61 69.97 -52.94 21.34 69.99 3 0 9.28 -999 ? O2 PO4 D 349 >SER~D 32 -55.51 14.46 71.00 -55.42 12.11 70.52 -55.47 13.29 70.76 2 0 16.14 -999 ? O1 PO4 D 349 >GLU.D 33 -60.02 15.53 71.55 -61.82 16.61 71.53 -60.92 16.07 71.54 2 0 17.94 -999 ? O1 PO4 D 349 >ALA.D 34 -57.94 9.74 72.19 -56.97 9.11 71.19 -57.45 9.43 71.69 2 0 19.39 -999 ? O1 PO4 D 349 >PRO.D 35 -58.78 6.26 74.70 -57.60 8.17 74.84 -58.19 7.22 74.77 3 0 23.17 -999 ? O1 PO4 D 349 >ILE^D 36 -52.75 9.39 75.53 -51.94 10.13 74.61 -52.35 9.76 75.07 3 0 19.35 -999 ? O2 PO4 D 349 >VAL^D 37 -52.60 5.52 78.47 -53.72 3.72 77.80 -53.16 4.62 78.14 3 0 25.31 -999 ? O2 PO4 D 349 >ALA^D 38 -48.81 5.65 78.20 -48.34 4.19 78.26 -48.58 4.92 78.23 2 0 24.99 -999 ? O2 PO4 D 349 >VAL^D 39 -45.86 7.68 76.93 -45.57 9.85 76.93 -45.71 8.77 76.93 3 0 20.55 -999 ? O2 PO4 D 349 >ILE^D 40 -42.86 4.47 75.13 -43.07 3.18 74.70 -42.97 3.82 74.91 3 0 23.53 -999 ? C4 PG4 C 350 >ASP.D 41 -39.78 8.95 76.71 -38.11 10.21 76.27 -38.94 9.58 76.49 2 0 20.92 -999 ? O2 PO4 D 349 >ARG.D 42 -33.94 3.86 75.82 -34.45 4.46 72.82 -34.19 4.16 74.32 2 0 20.81 -999 ? C4 PG4 C 350 >ASN.D 43 -34.60 10.60 78.03 -33.00 10.04 76.71 -33.80 10.32 77.37 2 0 23.87 -999 ? O2 PO4 D 349 >CYH.D 44 -38.23 10.32 81.00 -38.77 12.53 79.38 -38.50 11.43 80.19 2 0 21.32 -999 ? O2 PO4 D 349 >ALA.D 45 -39.57 7.08 82.56 -38.93 5.71 82.43 -39.25 6.39 82.49 2 0 27.67 -999 ? O2 PO4 D 349 >GLY.D 46 -41.37 7.83 85.88 -41.36 8.41 85.36 -41.37 8.12 85.62 1 0 28.27 -999 ? O2 PO4 D 349 >GLN.D 47 -39.01 12.13 85.26 -37.55 12.91 83.92 -38.28 12.52 84.59 2 0 25.10 -999 ? O2 PO4 D 349 >SER~D 48 -44.50 14.01 85.56 -45.98 15.75 86.37 -45.24 14.88 85.97 2 0 24.33 -999 ? O2 PO4 D 349 >LEU~D 49 -46.63 14.32 81.19 -46.86 14.42 79.03 -46.75 14.37 80.11 3 0 19.28 -999 ? O2 PO4 D 349 >ILE~D 52 -40.61 17.17 82.12 -40.44 15.72 82.45 -40.52 16.44 82.28 3 0 21.24 -999 ? O2 PO4 D 349 >THR~D 53 -43.53 19.74 79.32 -44.41 17.86 78.69 -43.97 18.80 79.00 2 0 16.59 -999 ? O2 PO4 D 349 >GLY~D 54 -46.20 22.10 80.69 -46.35 21.36 80.31 -46.28 21.73 80.50 1 0 17.20 -999 ? O2 PO4 D 349 >ILE.D 55 -48.60 18.74 78.07 -48.68 18.23 76.71 -48.64 18.49 77.39 3 0 15.06 -999 ? O2 PO4 D 349 >TYR.D 56 -51.59 21.66 83.26 -50.28 23.43 84.94 -50.93 22.54 84.10 3 0 20.92 -999 ? O2 PO4 D 349 >ARG.D 57 -53.05 14.45 77.65 -54.84 13.45 75.34 -53.94 13.95 76.49 2 0 17.88 -999 ? O2 PO4 D 349 >TYR.D 58 -51.78 11.22 85.17 -50.35 9.07 86.25 -51.07 10.14 85.71 3 0 26.59 -999 ? O2 PO4 D 349 >VAL.D 59 -50.11 10.00 81.42 -50.34 9.94 79.23 -50.23 9.97 80.33 3 0 22.31 -999 ? O2 PO4 D 349 >PRO.D 60 -49.35 6.16 83.38 -48.14 7.91 82.63 -48.75 7.03 83.00 3 0 26.07 -999 ? O2 PO4 D 349 >ILE^D 61 -43.11 8.92 81.31 -42.59 10.20 80.87 -42.85 9.56 81.09 3 0 23.26 -999 ? O2 PO4 D 349 >VAL^D 62 -42.47 4.23 80.79 -44.30 3.05 80.40 -43.38 3.64 80.60 3 0 27.03 -999 ? O2 PO4 D 349 >SER~D 64 -40.29 0.73 76.87 -39.79 -1.23 78.23 -40.04 -0.25 77.55 2 0 27.50 -999 ? C6 PG4 C 350 >VAL~D 65 -43.26 -0.78 75.00 -43.89 -1.12 72.88 -43.57 -0.95 73.94 3 0 23.69 -999 ? C6 PG4 C 350 >ALA~D 67 -43.37 -1.56 80.30 -42.33 -0.55 80.77 -42.85 -1.06 80.54 2 0 29.94 -999 ? C6 PG4 C 350 >ALA~D 68 -46.39 0.09 78.61 -46.33 0.83 77.26 -46.36 0.46 77.94 2 0 26.99 -999 ? C6 PG4 C 350 >LEU~D 69 -47.67 -4.58 78.01 -46.97 -5.31 76.07 -47.32 -4.95 77.04 3 0 28.76 -999 ? C6 PG4 C 350 >GLU~D 70 -48.44 -1.77 84.26 -46.89 -0.65 85.18 -47.66 -1.21 84.72 2 0 33.04 -999 ? O2 PO4 D 349 >TYR~D 71 -50.15 1.87 82.02 -48.64 2.61 84.24 -49.40 2.24 83.13 3 0 29.61 -999 ? O2 PO4 D 349 >PRO.D 73 -50.27 -0.54 75.56 -52.49 -0.41 75.79 -51.38 -0.47 75.68 3 0 27.61 -999 ? C6 PG4 C 350 >GLN.D 74 -56.57 -1.43 72.90 -58.60 -0.82 72.79 -57.58 -1.13 72.85 2 0 28.83 -999 ? O1 PO4 D 349 >VAL^D 75 -52.42 1.09 69.41 -53.73 2.17 68.01 -53.08 1.63 68.71 3 0 22.30 -999 ? C6 PG4 C 350 >LEU^D 76 -47.58 1.21 69.19 -45.54 1.56 69.93 -46.56 1.38 69.56 3 0 19.82 -999 ? C6 PG4 C 350 >VAL^D 77 -48.31 5.62 67.72 -49.86 7.16 67.64 -49.08 6.39 67.68 3 0 18.45 -999 ? O1 PO4 D 349 >ILE^D 78 -44.16 6.16 65.24 -43.23 5.36 64.49 -43.70 5.76 64.86 3 0 13.84 -999 ? C6 PG4 C 350 >GLY.D 79 -44.38 10.12 68.07 -43.71 9.75 67.85 -44.04 9.93 67.96 1 0 15.17 -999 ? O2 PO4 D 349 >ILE.D 80 -39.71 10.08 67.97 -39.29 9.25 69.05 -39.50 9.66 68.51 3 0 15.99 -999 ? C4 PG4 C 350 >ALA.D 81 -38.71 11.15 63.83 -39.53 11.94 62.83 -39.12 11.55 63.33 2 0 10.80 -999 ? C4 PG4 C 350 >PRO.D 82 -35.09 9.39 62.14 -35.61 11.09 63.49 -35.35 10.24 62.81 3 0 10.36 -999 ? C4 PG4 C 350 >GLY.D 84 -31.98 13.03 59.70 -32.24 12.70 60.41 -32.11 12.86 60.06 1 0 9.62 -999 ? C4 PG4 C 350 >GLY.D 85 -32.50 9.26 59.23 -33.13 9.72 58.90 -32.82 9.49 59.07 1 0 8.05 -999 ? C4 PG4 C 350 >GLY.D 86 -35.09 6.83 57.80 -34.85 6.87 58.64 -34.97 6.85 58.22 1 0 5.93 -999 ? C4 PG4 C 350 >PRO.D 88 -34.31 6.20 63.79 -34.17 4.24 62.69 -34.24 5.22 63.24 3 0 11.58 -999 ? C4 PG4 C 350 >ASP.D 89 -31.01 0.13 64.24 -30.68 -1.79 63.45 -30.84 -0.83 63.84 2 0 16.35 -999 ? C5 PG4 C 350 >ASP~D 90 -33.15 1.70 68.90 -33.50 3.76 68.48 -33.32 2.73 68.69 2 0 17.03 -999 ? C4 PG4 C 350 >TYR~D 91 -37.64 3.76 65.52 -37.58 6.56 65.66 -37.61 5.16 65.59 3 0 13.46 -999 ? C4 PG4 C 350 >TRP~D 92 -35.51 -1.29 62.69 -38.42 -1.60 60.06 -36.96 -1.44 61.38 3 0 12.49 -999 ? C6 PG4 C 350 >GLU~D 94 -39.10 0.33 71.21 -39.59 -0.04 73.26 -39.35 0.15 72.24 2 0 22.39 -999 ? C6 PG4 C 350 >LEU~D 95 -42.02 -1.64 65.38 -42.15 0.38 64.56 -42.08 -0.63 64.97 3 0 15.12 -999 ? C6 PG4 C 350 >LYS~D 96 -42.30 -5.81 66.82 -37.97 -8.16 62.87 -40.14 -6.99 64.85 2 0 18.18 -999 ? C6 PG4 C 350 >THR~D 97 -42.92 -5.87 70.57 -41.69 -5.37 72.29 -42.31 -5.62 71.43 2 0 23.67 -999 ? C6 PG4 C 350 >ALA~D 98 -46.21 -4.06 70.08 -46.37 -2.63 69.56 -46.29 -3.35 69.82 2 0 21.08 -999 ? C6 PG4 C 350 >LEU~D 99 -46.49 -6.38 65.79 -46.79 -5.08 64.07 -46.64 -5.73 64.93 3 0 19.20 -999 ? C6 PG4 C 350 >ALA~D 101 -48.53 -8.09 71.88 -48.07 -6.91 72.73 -48.30 -7.50 72.30 2 0 26.22 -999 ? C6 PG4 C 350 >GLY.D 102 -51.59 -7.91 69.55 -51.14 -7.28 69.70 -51.37 -7.59 69.62 1 0 25.79 -999 ? C6 PG4 C 350 >MET?D 103 -51.37 -4.15 68.95 -49.46 -2.00 72.13 -50.42 -3.07 70.54 2 0 24.18 -999 ? C6 PG4 C 350 >SER^D 104 -51.84 -1.94 65.88 -54.11 -2.40 65.18 -52.98 -2.17 65.53 2 0 21.73 -999 ? C6 PG4 C 350 >LEU^D 105 -48.15 0.10 63.72 -46.73 -1.37 64.38 -47.44 -0.63 64.05 3 0 16.23 -999 ? C6 PG4 C 350 >VAL^D 106 -49.74 4.22 63.50 -51.42 5.52 64.00 -50.58 4.87 63.75 3 0 16.51 -999 ? C6 PG4 C 350 >ASN^D 107 -46.02 4.22 60.61 -44.32 4.89 59.53 -45.17 4.56 60.07 2 0 9.34 -999 ? C6 PG4 C 350 >GLY.D 108 -46.34 8.93 60.42 -45.67 8.48 60.39 -46.01 8.70 60.40 1 0 11.50 -999 ? C6 PG4 C 350 >LEU.D 109 -41.82 7.66 59.39 -40.93 7.62 61.37 -41.38 7.64 60.38 3 0 8.86 -999 ? C4 PG4 C 350 >HIS.D 110 -41.52 11.20 54.17 -42.16 13.10 53.55 -41.84 12.15 53.86 3 0 5.57 -999 ? O3 PG4 C 350 >THR.D 111 -40.95 5.28 55.14 -39.04 4.37 55.56 -39.99 4.82 55.35 2 0 4.22 -999 ? C6 PG4 C 350 >PRO.D 112 -43.54 2.66 52.68 -43.39 3.33 54.83 -43.47 2.99 53.76 3 0 5.58 -999 ? C6 PG4 C 350 >LEU.D 113 -44.05 0.20 58.87 -42.37 1.14 59.88 -43.21 0.67 59.37 3 0 10.17 -999 ? C6 PG4 C 350 >ALA.D 114 -47.38 -1.81 56.23 -48.62 -1.08 55.70 -48.00 -1.44 55.97 2 0 12.33 -999 ? O4 PG4 C 350 >ASN.D 115 -45.89 -3.64 52.14 -47.96 -3.26 51.75 -46.92 -3.45 51.94 2 0 10.82 -999 ? O1 PG4 D 350 >ILE~D 116 -41.94 -4.28 56.77 -40.60 -3.69 56.36 -41.27 -3.98 56.57 3 0 11.38 -999 ? C6 PG4 C 350 >PRO~D 117 -41.42 -8.86 53.70 -42.54 -8.21 55.51 -41.98 -8.54 54.61 3 0 14.86 -999 ? O4 PG4 C 350 >ASP~D 118 -39.99 -8.60 59.76 -38.31 -9.56 58.92 -39.15 -9.08 59.34 2 0 17.29 -999 ? C6 PG4 C 350 >LEU~D 119 -44.05 -5.29 60.35 -42.58 -3.94 61.23 -43.32 -4.61 60.79 3 0 14.61 -999 ? C6 PG4 C 350 >ASN~D 120 -46.79 -8.62 56.97 -47.29 -6.96 55.79 -47.04 -7.79 56.38 2 0 15.59 -999 ? O4 PG4 C 350 >ALA~D 121 -46.05 -11.84 59.78 -44.69 -12.51 59.67 -45.37 -12.18 59.72 2 0 20.89 -999 ? O4 PG4 C 350 >LEU~D 122 -45.43 -9.69 64.02 -43.51 -10.40 64.69 -44.47 -10.05 64.36 3 0 21.16 -999 ? C6 PG4 C 350 >LEU~D 123 -49.96 -7.76 61.43 -50.99 -5.87 61.28 -50.48 -6.81 61.35 3 0 19.61 -999 ? C6 PG4 C 350 >PRO.D 125 -55.99 -12.93 63.06 -55.56 -10.72 63.11 -55.78 -11.82 63.09 3 0 26.23 -999 ? O1 PG4 D 350 >GLY.D 126 -58.18 -7.33 63.14 -57.36 -7.34 62.99 -57.77 -7.34 63.06 1 0 24.58 -999 ? O1 PG4 D 350 >GLN.D 127 -54.29 -6.39 66.13 -55.62 -5.01 67.11 -54.96 -5.70 66.62 2 0 25.03 -999 ? C6 PG4 C 350 >LEU.D 128 -54.68 -2.32 60.84 -55.16 -0.33 60.12 -54.92 -1.32 60.48 3 0 18.46 -999 ? O1 PG4 D 350 >ILE^D 129 -49.13 -1.58 59.78 -47.76 -1.99 59.92 -48.45 -1.78 59.85 3 0 14.55 -999 ? C6 PG4 C 350 >TRP^D 130 -53.23 4.77 58.11 -54.46 7.60 60.55 -53.84 6.19 59.33 3 0 15.64 -999 ? O5 PG4 D 350 >ASP^D 131 -48.29 3.79 55.93 -46.95 2.25 56.44 -47.62 3.02 56.19 2 0 9.77 -999 ? C6 PG4 C 350 >VAL.D 132 -50.38 7.90 57.55 -50.66 9.13 59.37 -50.52 8.52 58.46 3 0 13.27 -999 ? C6 PG4 C 350 >ARG.D 133 -45.06 11.05 55.96 -43.37 13.22 57.41 -44.21 12.14 56.69 2 0 8.84 -999 ? C4 PG4 C 350 >GLU.D 135 -50.80 9.98 46.92 -49.80 10.03 45.07 -50.30 10.00 46.00 2 0 -4.27 -999 ? C8 PG4 D 350s >PRO.D 136 -54.71 11.03 50.01 -54.10 9.08 49.12 -54.40 10.05 49.57 3 0 -5.88 -999 ? O5 PG4 D 350s >ALA.D 137 -56.06 6.67 46.20 -56.71 5.27 46.46 -56.39 5.97 46.33 2 0 -5.14 -999 ? O5 PG4 D 350s >ASN.D 138 -59.25 7.10 43.19 -59.38 4.97 43.35 -59.31 6.03 43.27 2 0 -6.36 -999 ? C7 PG4 D 350s >LEU.D 139 -55.20 11.62 43.43 -55.10 11.98 45.55 -55.15 11.80 44.49 3 0 -3.47 -999 ? O5 PG4 D 350s >VAL.D 141 -55.48 16.55 38.49 -54.04 17.15 36.94 -54.76 16.85 37.71 3 0 9.34 -999 ? O4 PG4 D 350 >ALA.D 142 -57.25 19.43 40.27 -56.72 20.25 41.44 -56.98 19.84 40.85 2 0 12.20 -999 ? O5 PG4 D 350 >SER.D 143 -59.66 21.71 38.39 -61.59 20.24 38.67 -60.62 20.97 38.53 2 0 14.73 -999 ? O4 PG4 D 350 >GLY~D 144 -60.61 24.47 40.88 -61.01 23.76 40.72 -60.81 24.11 40.80 1 0 17.47 -999 ? O5 PG4 D 350 >ALA~D 145 -63.78 22.48 41.65 -63.83 20.96 41.65 -63.81 21.72 41.65 2 0 16.03 -999 ? O5 PG4 D 350 >ALA~D 146 -63.80 23.77 45.26 -62.60 23.75 46.23 -63.20 23.76 45.74 2 0 17.62 -999 ? O5 PG4 D 350 >ARG~D 147 -64.41 28.02 40.25 -65.44 25.99 38.16 -64.93 27.00 39.21 2 0 21.65 -999 ? O5 PG4 D 350 >THR~D 148 -68.38 26.08 43.66 -68.25 24.64 42.06 -68.31 25.36 42.86 2 0 21.62 -999 ? O5 PG4 D 350 >LEU~D 149 -67.67 24.38 48.14 -67.04 22.30 48.02 -67.35 23.34 48.08 3 0 20.41 -999 ? O5 PG4 D 350 >PRO.D 150 -72.07 24.78 50.12 -70.84 26.40 49.20 -71.45 25.59 49.66 3 0 25.13 -999 ? O5 PG4 D 350 >CYH.D 151 -68.87 26.89 52.59 -67.21 24.68 51.99 -68.04 25.79 52.29 2 0 21.19 -999 ? O1 PO4 D 349 >ARG^D 152 -66.62 32.34 56.11 -68.43 34.76 55.54 -67.52 33.55 55.82 2 0 23.56 -999 ? O1 PO4 D 349 >ARG^D 153 -63.61 25.82 49.88 -65.26 27.93 48.32 -64.43 26.87 49.10 2 0 21.95 -999 ? O1 PO4 D 349 >VAL^D 154 -60.15 29.21 55.46 -60.68 30.49 57.13 -60.41 29.85 56.30 3 0 14.44 -999 ? O1 PO4 D 349 >LEU^D 155 -55.93 28.30 53.66 -54.37 27.02 52.90 -55.15 27.66 53.28 3 0 11.54 -999 ? O1 PO4 D 349 >THR^D 156 -53.66 29.19 57.48 -53.95 28.11 59.32 -53.81 28.65 58.40 2 0 7.34 -999 ? O1 PO4 D 349 >VAL^D 157 -50.44 30.40 55.81 -51.22 31.67 54.16 -50.83 31.03 54.98 3 0 9.28 -999 ? O4 PO4 D 349 >GLY^D 158 -47.17 31.32 57.48 -47.03 31.32 56.71 -47.10 31.32 57.09 1 0 6.87 -999 ? O4 PO4 D 349 >THR.D 159 -43.83 33.07 57.34 -43.96 34.77 58.72 -43.89 33.92 58.03 2 0 9.84 -999 ? O4 PO4 D 349 >ASP.D 160 -41.09 30.11 59.34 -39.33 28.92 59.24 -40.21 29.52 59.29 2 0 8.58 -999 ? O4 PO4 D 349 >MET?D 161 -42.83 26.16 59.26 -41.22 23.56 56.28 -42.03 24.86 57.77 2 0 7.09 -999 ? O3 PO4 D 349 >ALA.D 162 -43.53 24.96 62.80 -42.25 24.22 63.21 -42.89 24.59 63.01 2 0 -4.30 -999 ? O3 PO4 D 349s >ILE.D 163 -44.72 29.53 63.05 -44.43 30.19 61.82 -44.58 29.86 62.44 3 0 -4.71 -999 ? O4 PO4 D 349s >GLY~D 164 -48.53 27.34 64.89 -48.44 27.44 64.12 -48.48 27.39 64.51 1 0 -3.57 -999 ? O2 PO4 D 349s >LYS~D 165 -50.59 27.20 61.67 -46.47 26.50 58.89 -48.53 26.85 60.28 2 0 -2.89 -999 ? O4 PO4 D 349s >MET?D 166 -52.21 23.95 62.80 -51.68 19.80 63.81 -51.94 21.87 63.31 2 0 -5.51 -999 ? O1 PO4 D 349s >SER~D 167 -52.83 25.44 66.27 -50.98 24.93 67.73 -51.90 25.19 67.00 2 0 5.79 -999 ? O2 PO4 D 349 >THR~D 168 -54.41 28.51 64.67 -53.64 30.36 63.84 -54.03 29.44 64.26 2 0 8.31 -999 ? O4 PO4 D 349 >SER~D 169 -56.61 26.42 62.40 -55.41 26.04 60.30 -56.01 26.23 61.35 2 0 7.40 -999 ? O1 PO4 D 349 >LEU~D 170 -56.77 23.36 66.17 -56.32 21.26 65.82 -56.55 22.31 65.99 3 0 9.13 -999 ? O1 PO4 D 349 >GLU~D 171 -56.37 27.70 69.07 -57.02 27.32 71.04 -56.70 27.51 70.05 2 0 12.87 -999 ? O2 PO4 D 349 >LEU~D 172 -60.04 29.40 63.58 -59.15 31.30 63.00 -59.60 30.35 63.29 3 0 12.88 -999 ? O1 PO4 D 349 >HIS~D 173 -62.51 23.18 64.17 -63.84 21.56 64.29 -63.17 22.37 64.23 3 0 14.91 -999 ? O1 PO4 D 349 >TRP~D 174 -61.69 22.51 68.50 -57.96 22.67 69.71 -59.82 22.59 69.10 3 0 13.44 -999 ? O1 PO4 D 349 >ALA~D 175 -64.41 28.74 68.50 -63.57 30.01 68.35 -63.99 29.37 68.42 2 0 17.45 -999 ? O1 PO4 D 349 >ALA~D 176 -66.56 28.54 65.37 -66.10 28.17 63.98 -66.33 28.36 64.68 2 0 18.20 -999 ? O1 PO4 D 349 >LYS~D 177 -68.08 25.33 66.69 -67.75 19.10 66.60 -67.92 22.21 66.65 2 0 20.36 -999 ? O1 PO4 D 349 >LEU~D 178 -67.71 27.58 71.06 -67.06 26.73 72.94 -67.39 27.16 72.00 3 0 21.62 -999 ? O1 PO4 D 349 >ARG~D 179 -67.72 32.24 67.66 -66.56 34.95 66.77 -67.14 33.60 67.22 2 0 21.69 -999 ? O1 PO4 D 349 >GLY~D 180 -72.85 27.38 66.69 -72.20 27.53 66.25 -72.52 27.45 66.47 1 0 25.02 -999 ? O1 PO4 D 349 >TRP.D 181 -69.65 29.97 63.31 -72.25 31.63 60.90 -70.95 30.80 62.11 3 0 23.46 -999 ? O1 PO4 D 349 >ARG.D 182 -74.46 22.20 60.05 -74.88 21.98 57.01 -74.67 22.09 58.53 2 0 26.89 -999 ? O1 PO4 D 349 >SER^D 183 -67.39 23.51 61.42 -65.47 24.80 62.18 -66.43 24.15 61.80 2 0 16.97 -999 ? O1 PO4 D 349 >LYS^D 184 -64.76 21.00 60.32 -64.61 15.17 58.23 -64.69 18.09 59.28 2 0 18.69 -999 ? O1 PO4 D 349 >PHE^D 185 -58.72 20.70 61.78 -55.94 20.50 61.60 -57.33 20.60 61.69 3 0 9.42 -999 ? O1 PO4 D 349 >LEU^D 186 -59.43 19.81 56.19 -61.37 19.42 55.27 -60.40 19.61 55.73 3 0 14.08 -999 ? O1 PO4 D 349 >ALA.D 187 -55.68 17.82 58.37 -55.49 16.55 59.17 -55.59 17.18 58.77 2 0 10.52 -999 ? O1 PO4 D 349 >THR.D 188 -52.97 18.36 55.76 -53.30 20.49 55.46 -53.14 19.42 55.61 2 0 8.76 -999 ? O1 PO4 D 349 >GLY~D 189 -49.90 16.88 57.52 -50.61 16.53 57.79 -50.25 16.70 57.66 1 0 8.43 -999 ? O1 PO4 D 349 >THR~D 191 -49.48 15.22 62.89 -48.24 16.38 64.26 -48.86 15.80 63.57 2 0 7.89 -999 ? O1 PO4 D 349 >GLY~D 192 -52.91 16.56 61.94 -52.62 15.79 61.81 -52.76 16.17 61.88 1 0 8.57 -999 ? O1 PO4 D 349 >VAL~D 193 -54.01 13.32 60.29 -53.81 12.42 58.28 -53.91 12.87 59.29 3 0 12.58 -999 ? O1 PO4 D 349 >MET?D 194 -52.92 11.32 63.37 -48.92 10.01 63.73 -50.92 10.66 63.55 2 0 14.03 -999 ? O1 PO4 D 349 >LEU~D 195 -54.52 15.13 65.60 -54.15 16.38 67.26 -54.33 15.76 66.43 3 0 10.97 -999 ? O1 PO4 D 349 >GLU~D 196 -58.16 15.98 62.44 -59.80 16.71 63.55 -58.98 16.35 63.00 2 0 13.48 -999 ? O1 PO4 D 349 >GLY~D 197 -57.74 9.98 62.39 -57.72 10.62 61.86 -57.73 10.30 62.13 1 0 16.72 -999 ? O1 PO4 D 349 >ASP.D 198 -59.61 10.87 58.41 -59.89 10.18 56.43 -59.75 10.53 57.42 2 0 14.02 -999 ? O5 PG4 D 350 >GLY.D 199 -57.03 13.69 56.19 -56.77 12.88 56.00 -56.90 13.29 56.10 1 0 13.68 -999 ? O5 PG4 D 350 >VAL.D 200 -54.04 13.78 53.84 -54.01 14.81 51.87 -54.02 14.30 52.85 3 0 10.60 -999 ? O5 PG4 D 350 >ALA~D 201 -50.29 13.95 54.51 -49.45 12.81 55.00 -49.87 13.38 54.75 2 0 12.42 -999 ? C7 PG4 C 350 >LEU~D 202 -50.27 17.81 51.60 -50.85 18.91 49.81 -50.56 18.36 50.71 3 0 12.30 -999 ? O5 PG4 D 350 >ASP~D 203 -45.07 16.93 52.92 -45.16 15.64 54.59 -45.11 16.28 53.76 2 0 10.40 -999 ? O3 PG4 C 350 >ALA~D 204 -45.88 12.76 50.82 -46.11 11.67 51.84 -45.99 12.22 51.33 2 0 8.16 -999 ? C7 PG4 C 350 >VAL~D 205 -48.17 13.23 47.78 -50.29 13.76 47.74 -49.23 13.50 47.76 3 0 7.71 -999 ? O5 PG4 D 350 >ARG~D 206 -46.64 9.92 42.41 -48.92 7.98 41.78 -47.78 8.95 42.10 2 0 -3.23 -999 ? O2 PG4 D 350s >VAL~D 207 -46.49 16.85 42.81 -44.78 18.15 42.19 -45.63 17.50 42.50 3 0 11.87 -999 ? C8 PG4 D 350 >ASP~D 208 -48.63 14.68 39.02 -49.06 15.01 36.96 -48.84 14.85 37.99 2 0 8.41 -999 ? C6 PG4 D 350 >PHE~D 209 -51.72 12.73 41.35 -51.42 11.25 39.00 -51.57 11.99 40.17 3 0 -4.27 -999 ? C6 PG4 D 350s >ALA~D 210 -50.88 17.40 45.28 -49.60 18.23 45.45 -50.24 17.82 45.37 2 0 10.58 -999 ? O5 PG4 D 350 >ALA~D 211 -53.58 19.89 44.33 -53.59 20.84 43.15 -53.58 20.37 43.74 2 0 12.21 -999 ? O5 PG4 D 350 >GLY~D 212 -55.90 16.99 43.52 -55.53 17.14 44.23 -55.72 17.06 43.87 1 0 8.60 -999 ? O5 PG4 D 350 >ALA~D 213 -55.49 15.49 46.99 -54.18 15.05 47.61 -54.84 15.27 47.30 2 0 7.41 -999 ? O5 PG4 D 350 >VAL~D 214 -56.46 18.75 48.71 -55.37 20.55 49.32 -55.91 19.65 49.01 3 0 12.32 -999 ? O5 PG4 D 350 >GLU~D 215 -60.56 19.61 44.11 -60.32 19.66 42.03 -60.44 19.64 43.07 2 0 12.92 -999 ? O5 PG4 D 350 >GLN~D 216 -60.48 13.07 46.91 -59.29 11.30 46.96 -59.89 12.18 46.94 2 0 6.81 -999 ? O5 PG4 D 350 >MET?D 217 -60.76 16.12 50.68 -58.31 16.58 54.11 -59.53 16.35 52.40 2 0 13.70 -999 ? O5 PG4 D 350 >VAL~D 218 -62.39 19.57 50.41 -61.63 21.62 50.24 -62.01 20.60 50.33 3 0 15.85 -999 ? O5 PG4 D 350 >MET?D 219 -65.10 18.25 48.05 -65.38 20.44 45.28 -65.24 19.34 46.66 2 0 16.57 -999 ? O5 PG4 D 350 >ARG~D 220 -64.10 12.09 51.59 -61.65 11.18 49.96 -62.88 11.64 50.77 2 0 10.23 -999 ? O5 PG4 D 350 >TYR~D 221 -65.63 16.43 54.69 -64.60 13.90 55.16 -65.12 15.16 54.93 3 0 17.09 -999 ? O5 PG4 D 350 >GLY~D 222 -67.82 21.13 51.50 -68.33 20.61 51.68 -68.07 20.87 51.59 1 0 20.24 -999 ? O5 PG4 D 350 >ASN.D 224 -71.47 18.11 55.17 -71.73 16.64 53.65 -71.60 17.37 54.41 2 0 21.91 -999 ? O5 PG4 D 350 >TYR.D 225 -68.84 20.67 57.80 -68.69 18.14 58.96 -68.77 19.41 58.38 3 0 21.05 -999 ? O1 PO4 D 349 >ASP.D 226 -71.26 26.87 58.29 -73.26 26.34 58.61 -72.26 26.60 58.45 2 0 25.08 -999 ? O1 PO4 D 349 >ILE^D 227 -66.48 27.61 58.31 -65.65 28.21 59.33 -66.07 27.91 58.82 3 0 18.26 -999 ? O1 PO4 D 349 >LEU^D 228 -63.69 23.65 55.09 -64.88 21.99 54.32 -64.28 22.82 54.70 3 0 17.38 -999 ? O1 PO4 D 349 >HIS^D 229 -61.67 25.88 60.45 -63.21 27.00 61.32 -62.44 26.44 60.89 3 0 14.18 -999 ? O1 PO4 D 349 >ILE^D 230 -57.55 23.96 54.53 -58.12 23.98 53.80 -57.83 23.97 54.16 3 0 12.14 -999 ? O1 PO4 D 349 >GLU.D 231 -52.72 21.86 59.42 -51.91 19.95 59.86 -52.32 20.90 59.64 2 0 5.62 -999 ? O1 PO4 D 349 >GLY.D 232 -51.56 25.17 56.57 -51.51 24.50 57.04 -51.54 24.83 56.80 1 0 6.31 -999 ? O1 PO4 D 349 >GLN.D 233 -49.31 21.20 55.46 -48.81 20.54 57.41 -49.06 20.87 56.44 2 0 5.66 -999 ? O1 PO4 D 349 >GLY.D 234 -44.87 24.99 54.53 -45.43 25.38 54.91 -45.15 25.18 54.72 1 0 7.11 -999 ? O3 PO4 D 349 >SER.D 235 -44.15 28.59 53.58 -43.17 30.60 54.60 -43.66 29.59 54.09 2 0 9.32 -999 ? O4 PO4 D 349 >LEU.D 236 -44.49 31.48 49.70 -46.09 30.95 48.36 -45.29 31.21 49.03 3 0 13.82 -999 ? O4 PO4 D 349 >LEU.D 237 -40.74 32.88 53.53 -41.84 34.75 53.48 -41.29 33.81 53.51 3 0 12.72 -999 ? O4 PO4 D 349 >HIS.D 238 -38.74 26.41 54.26 -37.48 24.84 54.87 -38.11 25.62 54.56 3 0 10.72 -999 ? O3 PO4 D 349 >PRO.D 239 -34.76 27.64 51.82 -36.74 27.82 50.80 -35.75 27.73 51.31 3 0 15.04 -999 ? O3 PO4 D 349 >GLY.D 240 -37.41 23.92 50.12 -38.01 24.41 50.36 -37.71 24.16 50.24 1 0 13.57 -999 ? O2 PG4 C 350 >SER.D 241 -41.15 24.23 50.62 -43.08 24.97 51.88 -42.12 24.60 51.25 2 0 10.08 -999 ? O3 PO4 D 349 >THR.D 242 -43.74 23.47 47.95 -43.28 22.17 46.24 -43.51 22.82 47.09 2 0 14.33 -999 ? O2 PG4 C 350 >ALA~D 243 -46.90 22.56 49.93 -46.85 21.88 51.28 -46.88 22.22 50.61 2 0 10.31 -999 ? O3 PO4 D 349 >THR~D 244 -48.51 26.01 50.22 -48.02 27.82 51.30 -48.27 26.91 50.76 2 0 10.60 -999 ? O4 PO4 D 349 >LEU~D 245 -48.34 26.20 45.37 -48.61 26.96 43.37 -48.47 26.58 44.37 3 0 17.15 -999 ? O3 PO4 C 349 >PRO~D 246 -49.35 21.79 46.76 -50.81 23.45 46.27 -50.08 22.62 46.51 3 0 14.70 -999 ? O5 PG4 D 350 >LEU~D 247 -52.60 24.29 50.79 -52.12 23.00 52.47 -52.36 23.65 51.63 3 0 11.02 -999 ? O1 PO4 D 349 >ILE~D 248 -53.33 28.37 47.60 -52.88 29.75 47.77 -53.10 29.06 47.69 3 0 15.59 -999 ? O4 PO4 D 349 >ARG~D 249 -53.61 27.06 41.90 -52.49 29.90 42.42 -53.05 28.48 42.16 2 0 17.54 -999 ? O1 PO4 C 349 >GLY~D 250 -56.76 22.61 45.76 -56.89 23.34 46.02 -56.82 22.97 45.89 1 0 14.38 -999 ? O5 PG4 D 350 >SER~D 251 -58.95 24.32 48.36 -57.66 25.69 49.92 -58.31 25.00 49.14 2 0 15.21 -999 ? O1 PO4 D 349 >GLN~D 252 -60.59 26.35 44.25 -59.32 27.46 42.92 -59.95 26.90 43.59 2 0 19.62 -999 ? O5 PG4 D 350 >PRO.D 253 -57.63 29.83 49.43 -59.71 29.09 49.16 -58.67 29.46 49.29 3 0 17.14 -999 ? O1 PO4 D 349 >THR.D 254 -62.28 32.28 50.56 -64.11 31.32 51.19 -63.20 31.80 50.88 2 0 20.33 -999 ? O1 PO4 D 349 >GLN^D 255 -61.97 34.83 54.50 -63.76 33.87 53.88 -62.86 34.35 54.19 2 0 19.91 -999 ? O1 PO4 D 349 >LEU^D 256 -55.26 33.70 53.48 -54.90 32.81 51.53 -55.08 33.25 52.50 3 0 14.28 -999 ? O4 PO4 D 349 >VAL^D 257 -55.02 33.77 57.95 -56.15 33.38 59.78 -55.58 33.57 58.87 3 0 11.87 -999 ? O4 PO4 D 349 >LEU^D 258 -50.72 35.83 57.45 -48.68 36.09 56.73 -49.70 35.96 57.09 3 0 11.40 -999 ? O4 PO4 D 349 >VAL^D 259 -49.33 33.04 60.99 -49.94 31.16 61.96 -49.64 32.10 61.48 3 0 6.76 -999 ? O4 PO4 D 349 >HIS^D 260 -44.73 36.67 61.75 -42.79 37.49 61.80 -43.76 37.08 61.78 3 0 11.65 -999 ? O4 PO4 D 349 >ARG^D 261 -41.02 32.36 67.18 -41.18 29.51 65.99 -41.10 30.94 66.59 2 0 8.01 -999 ? O2 PO4 D 349 >ALA.D 262 -43.19 37.69 66.65 -43.90 38.22 67.91 -43.55 37.96 67.28 2 0 14.16 -999 ? O4 PO4 D 349 >GLY.D 263 -39.54 38.74 66.34 -39.84 38.31 65.76 -39.69 38.52 66.05 1 0 15.57 -999 ? O4 PO4 D 349 >GLN.D 264 -38.31 33.76 62.74 -39.26 31.90 62.31 -38.79 32.83 62.52 2 0 9.80 -999 ? O4 PO4 D 349 >THR.D 265 -36.48 37.67 60.85 -35.30 38.96 62.07 -35.89 38.32 61.46 2 0 17.54 -999 ? O4 PO4 D 349 >HIS.D 266 -32.64 35.78 59.13 -31.61 37.59 58.96 -32.13 36.68 59.05 3 0 18.55 -999 ? O4 PO4 D 349 >ASN.D 267 -35.75 30.56 56.76 -36.75 28.68 56.44 -36.25 29.62 56.60 2 0 11.74 -999 ? O3 PO4 D 349 >GLY.D 268 -35.40 28.55 60.91 -35.17 28.48 60.14 -35.28 28.51 60.52 1 0 11.79 -999 ? O3 PO4 D 349 >ASN.D 269 -34.61 24.72 58.03 -36.14 23.70 59.12 -35.37 24.21 58.58 2 0 10.24 -999 ? O3 PO4 D 349 >ASN.D 270 -32.60 27.92 55.07 -33.22 25.92 54.63 -32.91 26.92 54.85 2 0 14.75 -999 ? O3 PO4 D 349 >PRO.D 271 -29.73 29.67 59.78 -31.14 30.54 58.24 -30.43 30.10 59.01 3 0 17.13 -999 ? O3 PO4 D 349 >HIS.D 272 -29.12 31.20 53.56 -30.01 29.84 52.23 -29.57 30.52 52.89 3 0 19.84 -999 ? O3 PO4 D 349 >VAL.D 273 -33.05 33.35 54.03 -34.09 31.93 52.71 -33.57 32.64 53.37 3 0 17.16 -999 ? O4 PO4 D 349 >PRO.D 274 -34.03 37.67 53.63 -34.35 36.00 55.08 -34.19 36.84 54.35 3 0 18.36 -999 ? O4 PO4 D 349 >ILE.D 275 -39.09 36.51 57.63 -40.00 35.71 58.40 -39.55 36.11 58.02 3 0 13.16 -999 ? O4 PO4 D 349 >PRO.D 276 -39.84 38.70 52.62 -39.45 39.40 54.73 -39.64 39.05 53.67 3 0 17.06 -999 ? O4 PO4 D 349 >PRO~D 277 -40.33 44.36 55.40 -41.28 42.40 55.88 -40.81 43.38 55.64 3 0 19.51 -999 ? O4 PO4 D 349 >LEU~D 278 -46.14 41.41 58.13 -46.06 39.78 59.64 -46.10 40.59 58.88 3 0 14.99 -999 ? O4 PO4 D 349 >PRO~D 279 -46.52 45.51 55.67 -46.66 43.45 54.81 -46.59 44.48 55.24 3 0 19.68 -999 ? O4 PO4 D 349 >GLU~D 280 -42.78 43.78 51.37 -43.64 44.83 49.74 -43.21 44.31 50.56 2 0 22.63 -999 ? O4 PO4 D 349 >VAL~D 281 -45.53 38.66 52.84 -44.75 37.36 54.45 -45.14 38.01 53.65 3 0 14.65 -999 ? O4 PO4 D 349 >ILE~D 282 -49.92 40.76 53.42 -50.75 41.29 54.40 -50.33 41.03 53.91 3 0 17.34 -999 ? O4 PO4 D 349 >LEU~D 284 -45.73 37.07 48.83 -44.44 35.45 48.15 -45.08 36.26 48.49 3 0 16.88 -999 ? O4 PO4 D 349 >TYR~D 285 -49.07 33.98 51.47 -47.27 32.17 52.61 -48.17 33.08 52.04 3 0 12.08 -999 ? O4 PO4 D 349 >GLU~D 286 -53.47 38.80 49.84 -54.10 40.73 50.49 -53.79 39.76 50.16 2 0 19.90 -999 ? O4 PO4 D 349 >THR~D 287 -50.86 37.45 44.52 -49.17 38.53 43.62 -50.01 37.99 44.07 2 0 22.05 -999 ? O1 PO4 C 349 >VAL~D 288 -50.33 33.67 44.53 -48.79 32.32 45.36 -49.56 33.00 44.94 3 0 18.36 -999 ? O4 PO4 D 349 >ALA~D 289 -53.96 33.09 45.60 -54.57 33.53 46.91 -54.26 33.31 46.25 2 0 18.27 -999 ? O4 PO4 D 349 >SER~D 290 -55.41 35.28 42.81 -54.12 37.28 42.41 -54.76 36.28 42.61 2 0 21.91 -999 ? O1 PO4 C 349 >GLY~D 291 -52.94 33.94 40.24 -53.21 34.73 40.40 -53.07 34.34 40.32 1 0 17.95 -999 ? O1 PO4 C 349 >GLY~D 292 -52.52 37.57 39.17 -53.18 37.10 39.11 -52.85 37.33 39.14 1 0 19.43 -999 ? O1 PO4 C 349 >GLY~D 293 -56.17 37.64 38.05 -55.87 36.92 38.12 -56.02 37.28 38.08 1 0 20.58 -999 ? O1 PO4 C 349 >ALA~D 294 -56.74 34.00 37.04 -55.63 32.95 36.83 -56.19 33.47 36.94 2 0 16.73 -999 ? O1 PO4 C 349 >PHE.D 295 -57.06 31.31 40.63 -55.54 29.38 39.32 -56.30 30.34 39.97 3 0 17.88 -999 ? O1 PO4 C 349 >GLY.D 296 -60.88 35.38 42.47 -60.11 35.04 42.67 -60.50 35.21 42.57 1 0 24.56 -999 ? O1 PO4 C 349 >THR.D 297 -59.18 37.67 45.00 -59.08 39.85 45.29 -59.13 38.76 45.14 2 0 24.69 -999 ? O4 PO4 D 349 >VAL.D 298 -58.45 35.90 48.29 -58.34 33.74 48.36 -58.39 34.82 48.32 3 0 19.71 -999 ? O4 PO4 D 349 >PRO.D 299 -59.93 38.49 51.54 -57.93 37.82 50.69 -58.93 38.16 51.12 3 0 20.12 -999 ? O4 PO4 D 349 >VAL^D 300 -55.34 37.70 54.18 -53.19 37.46 54.55 -54.26 37.58 54.36 3 0 15.59 -999 ? O4 PO4 D 349 >VAL^D 301 -57.99 38.81 56.72 -59.53 37.22 56.68 -58.76 38.02 56.70 3 0 17.62 -999 ? O4 PO4 D 349 >GLY^D 302 -55.83 38.84 59.83 -55.49 38.30 59.29 -55.66 38.57 59.56 1 0 15.79 -999 ? O4 PO4 D 349 >ILE^D 303 -51.42 38.81 61.40 -50.23 39.33 60.90 -50.82 39.07 61.15 3 0 13.74 -999 ? O4 PO4 D 349 >ALA^D 304 -52.16 35.15 64.14 -52.56 33.69 63.94 -52.36 34.42 64.04 2 0 9.85 -999 ? O4 PO4 D 349 >LEU^D 305 -48.90 37.69 66.49 -47.19 38.98 66.34 -48.05 38.34 66.41 3 0 13.37 -999 ? O4 PO4 D 349 >ASN^D 306 -46.44 32.39 67.16 -45.73 30.88 68.47 -46.08 31.63 67.81 2 0 8.15 -999 ? O2 PO4 D 349 >THR.D 307 -45.94 35.31 71.02 -47.61 36.72 71.34 -46.78 36.01 71.18 2 0 14.52 -999 ? O2 PO4 D 349 >ALA.D 308 -45.31 32.26 73.28 -45.38 30.82 72.81 -45.35 31.54 73.04 2 0 11.28 -999 ? O2 PO4 D 349 >HIS.D 309 -40.87 34.22 71.66 -41.37 35.58 70.15 -41.12 34.90 70.90 3 0 14.00 -999 ? O2 PO4 D 349 >LEU.D 310 -43.29 37.70 74.18 -42.35 38.64 72.46 -42.82 38.17 73.32 3 0 17.30 -999 ? O2 PO4 D 349 >ASP~D 311 -43.35 38.70 79.64 -42.93 40.74 79.14 -43.14 39.72 79.39 2 0 22.85 -999 ? O2 PO4 D 349 >GLU~D 312 -50.13 39.19 79.01 -51.63 38.45 80.28 -50.88 38.82 79.65 2 0 22.27 -999 ? O2 PO4 D 349 >TYR~D 313 -45.78 44.87 79.28 -45.52 47.64 79.09 -45.65 46.25 79.18 3 0 26.83 -999 ? O2 PO4 D 349 >ALA~D 314 -44.47 42.22 75.35 -43.13 41.48 75.40 -43.80 41.85 75.38 2 0 21.06 -999 ? O2 PO4 D 349 >ALA~D 315 -46.93 39.91 73.63 -47.63 38.72 74.27 -47.28 39.31 73.95 2 0 17.83 -999 ? O2 PO4 D 349 >LYS~D 316 -49.65 42.56 73.75 -53.64 42.38 78.67 -51.65 42.47 76.21 2 0 24.37 -999 ? O2 PO4 D 349 >GLU~D 317 -45.36 46.85 72.91 -43.76 47.38 74.18 -44.56 47.11 73.55 2 0 25.08 -999 ? O4 PO4 D 349 >ALA~D 318 -46.09 42.95 69.61 -45.44 41.57 69.77 -45.77 42.26 69.69 2 0 17.72 -999 ? O4 PO4 D 349 >ILE~D 319 -50.91 41.91 69.55 -51.91 41.01 69.89 -51.41 41.46 69.72 3 0 18.08 -999 ? O4 PO4 D 349 >ALA~D 320 -50.30 46.26 68.76 -50.08 47.15 69.98 -50.19 46.70 69.37 2 0 23.04 -999 ? O4 PO4 D 349 >HIS~D 321 -44.81 46.75 66.01 -43.36 47.24 64.57 -44.09 46.99 65.29 3 0 21.61 -999 ? O4 PO4 D 349 >THR~D 322 -48.40 44.20 64.00 -48.20 42.05 63.93 -48.30 43.13 63.96 2 0 16.37 -999 ? O4 PO4 D 349 >ILE~D 323 -52.80 46.17 64.84 -54.04 45.93 65.51 -53.42 46.05 65.18 3 0 21.45 -999 ? O4 PO4 D 349 >ALA~D 324 -50.08 49.37 63.19 -49.19 50.05 64.21 -49.63 49.71 63.70 2 0 24.39 -999 ? O4 PO4 D 349 >GLU~D 325 -45.65 46.55 59.76 -44.68 44.67 59.92 -45.17 45.61 59.84 2 0 19.00 -999 ? O4 PO4 D 349 >THR~D 326 -50.18 45.74 58.63 -50.16 43.77 59.59 -50.17 44.76 59.11 2 0 18.29 -999 ? O4 PO4 D 349 >GLY~D 327 -53.52 47.46 59.28 -53.40 46.64 59.37 -53.46 47.05 59.33 1 0 22.67 -999 ? O4 PO4 D 349 >LEU.D 328 -54.60 42.88 59.21 -54.69 42.44 57.09 -54.65 42.66 58.15 3 0 18.78 -999 ? O4 PO4 D 349 >PRO.D 329 -58.83 42.20 61.47 -56.75 42.65 62.22 -57.79 42.43 61.84 3 0 19.76 -999 ? O4 PO4 D 349 >CYH^D 330 -54.33 40.49 65.01 -51.55 40.30 65.47 -52.94 40.40 65.24 2 0 15.59 -999 ? O4 PO4 D 349 >THR^D 331 -53.87 38.43 68.16 -55.50 37.55 69.29 -54.69 37.99 68.72 2 0 16.33 -999 ? O4 PO4 D 349 >ASP~D 332 -51.05 35.32 70.59 -50.24 33.36 70.95 -50.64 34.34 70.77 2 0 12.02 -999 ? O2 PO4 D 349 >VAL~D 333 -55.18 33.00 69.21 -55.37 32.28 67.13 -55.28 32.64 68.17 3 0 12.52 -999 ? O4 PO4 D 349 >VAL~D 334 -53.73 30.33 71.44 -52.25 28.75 71.16 -52.99 29.54 71.30 3 0 11.04 -999 ? O2 PO4 D 349 >ARG~D 335 -49.77 35.01 75.03 -47.14 35.61 76.51 -48.45 35.31 75.77 2 0 17.05 -999 ? O2 PO4 D 349 >PHE~D 336 -54.15 37.21 74.25 -51.71 38.11 75.32 -52.93 37.66 74.79 3 0 18.33 -999 ? O2 PO4 D 349 >GLY~D 337 -58.47 33.44 71.99 -57.91 33.83 71.55 -58.19 33.64 71.77 1 0 16.88 -999 ? O2 PO4 D 349 >ALA~D 338 -59.57 33.12 68.34 -59.94 31.78 67.75 -59.75 32.45 68.04 2 0 15.02 -999 ? O1 PO4 D 349 >ASP~D 339 -63.02 36.35 69.71 -64.42 35.04 70.68 -63.72 35.69 70.19 2 0 21.27 -999 ? O1 PO4 D 349 >VAL~D 340 -60.55 38.68 66.88 -59.02 40.17 67.53 -59.78 39.43 67.20 3 0 19.44 -999 ? O4 PO4 D 349 >LEU~D 341 -58.31 35.62 63.80 -56.27 36.38 63.64 -57.29 36.00 63.72 3 0 14.58 -999 ? O4 PO4 D 349 >LEU~D 342 -63.37 33.65 64.75 -64.59 31.88 64.23 -63.98 32.76 64.49 3 0 17.99 -999 ? O1 PO4 D 349 >ASP~D 343 -64.64 38.99 64.31 -65.73 38.68 66.10 -65.18 38.84 65.21 2 0 23.05 -999 ? O1 PO4 D 349 >ALA~D 344 -62.25 38.94 60.61 -60.77 39.06 60.76 -61.51 39.00 60.68 2 0 19.09 -999 ? O4 PO4 D 349 >VAL~D 345 -62.79 35.71 58.69 -62.07 33.62 58.85 -62.43 34.67 58.77 3 0 17.86 -999 ? O1 PO4 D 349 >MET?D 346 -66.52 35.52 59.18 -67.01 32.25 59.85 -66.77 33.88 59.51 2 0 20.39 -999 ? O1 PO4 D 349 >GLN~D 347 -66.19 40.87 59.81 -66.45 41.78 61.75 -66.32 41.33 60.78 2 0 25.14 -999 ? O4 PO4 D 349 >ASN.D 348 -64.04 38.36 54.66 -63.28 38.86 52.74 -63.66 38.61 53.70 2 0 22.67 -999 ? O4 PO4 D 349