REMARK SOURCE hebe.pdb HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 09-OCT-09 3K6O COMPND UNCHARACTERIZED PROTEIN DUF1344; COMPND 3 CHAIN: A, B; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: BACTEROIDES VULGATUS ATCC 8482; SOURCE 3 ORGANISM_TAXID: 435590; SOURCE 4 STRAIN: ATCC 8482 / DSM 1447 / NCTC 11154; SOURCE 5 GENE: BVU_1918; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 7 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 8 EXPRESSION_SYSTEM_STRAIN: HK100; SOURCE 9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 10 EXPRESSION_SYSTEM_PLASMID: SPEEDET AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) HET MSE A 39 8 HET MSE A 118 8 HET MSE A 124 8 HET MSE A 131 8 HET MSE A 143 8 HET MSE A 161 8 HET MSE A 189 8 HET MSE B 39 8 HET MSE B 118 8 HET MSE B 124 8 HET MSE B 131 8 HET MSE B 143 8 HET MSE B 161 8 HET MSE B 189 8 HET PG4 A 1 10 HET PG4 A 4 7 HET PG4 A 5 7 HET SO4 A 8 5 HET SO4 A 9 5 HET PG4 B 2 13 HET PG4 B 3 7 HET PG4 B 6 7 HET SO4 B 7 5 HET SO4 B 10 5 SITE 1 AC1 6 GLU A 160 ILE A 162 TRP A 164 PRO B 115 SITE 1 AC2 4 ASN A 123 ARG A 175 HOH A 328 HOH B 268 SITE 1 AC3 6 VAL A 64 GLN A 65 GLU A 87 PRO A 199 SITE 1 AC4 4 PRO A 69 TYR A 70 ARG A 71 ASP A 72 SITE 1 AC5 2 HIS A 66 ARG A 71 SITE 1 AC6 7 ASN A 201 SER A 202 GLU A 203 ASN B 123 SITE 1 AC7 6 ASN A 159 MSE A 161 ASP B 196 TYR B 197 SITE 1 AC8 5 GLN B 65 GLU B 87 GLU B 200 SER B 202 SITE 1 AC9 4 PRO B 69 TYR B 70 ARG B 71 ASP B 72 SITE 1 BC1 4 LYS B 129 ARG B 141 ASP B 239 GLU B 242 >THR.A 34 48.67 -2.93 16.38 49.73 -4.67 17.16 49.20 -3.80 16.77 2 0 14.00 -999 ? O3 PG4 A 5 >VAL.A 35 45.46 -4.68 15.21 45.19 -6.28 16.72 45.33 -5.48 15.96 3 0 14.77 -999 ? O3 PG4 A 5 >THR^A 36 42.30 -3.26 13.71 42.22 -2.02 11.98 42.26 -2.64 12.85 2 0 16.33 -999 ? O3 PG4 A 5 >ILE^A 37 38.46 -4.49 16.39 38.62 -5.90 16.64 38.54 -5.20 16.51 3 0 19.57 -999 ? O4 SO4 A 8 >ALA^A 38 36.43 -3.50 12.12 37.13 -2.52 11.18 36.78 -3.01 11.65 2 0 19.88 -999 ? O3 PG4 A 5 >MET?A 39 33.50 -4.58 9.97 30.45 -4.97 11.60 31.98 -4.77 10.78 2 0 20.09 -999 ? O4 SO4 A 8 >ALA^A 40 34.00 -6.14 6.59 35.40 -6.81 6.49 34.70 -6.48 6.54 2 0 15.56 -999 ? O4 SO4 A 8 >THR^A 41 32.03 -7.84 3.87 30.19 -6.97 3.07 31.11 -7.40 3.47 2 0 17.97 -999 ? O4 SO4 A 8 >VAL^A 42 33.26 -10.97 2.21 33.42 -13.04 2.97 33.34 -12.01 2.59 3 0 12.27 -999 ? O4 SO4 A 8 >GLU^A 43 32.63 -8.44 -1.51 30.51 -8.77 -1.80 31.57 -8.61 -1.66 2 0 17.85 -999 ? O4 SO4 A 8 >LYS.A 44 34.53 -13.25 -4.30 34.05 -19.01 -2.76 34.29 -16.13 -3.53 2 0 10.86 -999 ? O2 SO4 A 8 >GLN.A 45 35.24 -10.48 -8.08 36.20 -8.75 -8.84 35.72 -9.61 -8.46 2 0 19.98 -999 ? O4 SO4 A 8 >PRO.A 46 34.14 -14.97 -11.61 35.78 -15.28 -10.11 34.96 -15.13 -10.86 3 0 18.75 -999 ? O4 SO4 A 8 >GLN.A 47 40.00 -12.46 -11.07 38.38 -11.17 -11.33 39.19 -11.82 -11.20 2 0 20.24 -999 ? O4 SO4 A 8 >TYR.A 48 40.68 -12.82 -7.07 41.04 -10.28 -8.12 40.86 -11.55 -7.59 3 0 16.71 -999 ? C3 PG4 A 5 >ASP.A 49 42.11 -19.58 -6.05 43.94 -19.21 -5.01 43.03 -19.39 -5.53 2 0 10.83 -999 ? O1 SO4 A 9 >ALA.A 50 39.95 -17.40 -2.19 41.23 -17.24 -1.33 40.59 -17.32 -1.76 2 0 8.52 -999 ? O4 SO4 A 8 >PRO.A 51 36.97 -16.77 0.99 37.73 -15.67 -0.80 37.35 -16.22 0.09 3 0 8.44 -999 ? O4 SO4 A 8 >TYR^A 52 38.42 -10.27 -2.01 36.83 -9.19 -4.03 37.62 -9.73 -3.02 3 0 15.08 -999 ? O4 SO4 A 8 >LEU^A 53 37.95 -8.88 3.91 37.68 -10.50 5.26 37.82 -9.69 4.58 3 0 12.21 -999 ? O4 SO4 A 8 >VAL^A 54 36.06 -5.41 1.66 35.08 -4.99 -0.26 35.57 -5.20 0.70 3 0 17.82 -999 ? O4 SO4 A 8 >LEU.A 55 37.46 -1.93 4.79 38.92 -2.54 6.27 38.19 -2.23 5.53 3 0 18.06 -999 ? C3 PG4 A 5 >ASP.A 56 32.46 0.09 5.75 31.27 -1.53 6.45 31.87 -0.72 6.10 2 0 21.97 -999 ? O4 SO4 A 8 >ASN.A 57 36.78 3.07 3.68 38.51 1.87 3.74 37.65 2.47 3.71 2 0 20.36 -999 ? C3 PG4 A 5 >GLY.A 58 35.82 0.21 -0.06 36.37 0.17 0.48 36.09 0.19 0.21 1 0 21.70 -999 ? C3 PG4 A 5 >GLU.A 59 40.76 0.90 1.23 42.30 1.46 2.54 41.53 1.18 1.88 2 0 17.55 -999 ? O3 PG4 A 5 >LYS^A 60 39.86 -4.66 -0.56 37.03 -3.54 -5.23 38.45 -4.10 -2.90 2 0 20.42 -999 ? C3 PG4 A 5 >LEU^A 61 41.66 -6.81 3.18 41.68 -5.01 4.41 41.67 -5.91 3.80 3 0 13.07 -999 ? C3 PG4 A 5 >TRP^A 62 46.13 -12.20 -0.74 43.19 -13.75 -2.87 44.66 -12.98 -1.81 3 0 10.01 -999 ? C2 PG4 A 5 >VAL^A 63 44.18 -12.66 3.27 42.61 -13.50 4.59 43.40 -13.08 3.93 3 0 9.29 -999 ? O4 SO4 A 8 >VAL^A 64 47.76 -13.98 3.30 49.04 -12.23 2.79 48.40 -13.10 3.05 3 0 -4.61 -999 ? C2 PG4 A 5s >GLN^A 65 50.23 -14.84 7.25 51.71 -13.82 8.38 50.97 -14.33 7.82 2 0 -3.82 -999 ? O1 PG4 A 5s >HIS^A 66 43.90 -18.59 7.70 44.11 -20.62 7.27 44.00 -19.60 7.49 3 0 -3.77 -999 ? O2 SO4 A 9s >ILE.A 67 44.79 -16.91 13.76 46.05 -17.29 14.24 45.42 -17.10 14.00 3 0 9.18 -999 ? O4 SO4 A 9 >VAL.A 68 40.88 -18.87 12.18 39.91 -17.24 13.24 40.39 -18.06 12.71 3 0 7.60 -999 ? O3 SO4 A 8 >PRO.A 69 38.48 -22.24 10.82 39.32 -20.34 9.90 38.90 -21.29 10.36 3 0 -4.08 -999 ? O3 SO4 A 8s >TYR.A 70 39.98 -17.09 5.28 41.97 -17.32 3.34 40.97 -17.20 4.31 3 0 -4.72 -999 ? O4 SO4 A 8s >ARG.A 71 41.24 -22.26 2.14 43.84 -22.71 3.70 42.54 -22.48 2.92 2 0 2.80 -999 ? O2 SO4 A 9s >ASP.A 72 34.04 -22.01 4.64 34.54 -21.03 6.53 34.29 -21.52 5.59 2 0 -4.64 -999 ? O2 SO4 A 8s >LEU.A 73 33.92 -16.41 4.21 34.15 -16.01 6.34 34.04 -16.21 5.27 3 0 8.23 -999 ? O4 SO4 A 8 >LYS.A 74 30.67 -16.65 0.97 31.73 -21.41 -0.13 31.20 -19.03 0.42 2 0 9.45 -999 ? O2 SO4 A 8 >ALA.A 75 30.16 -13.39 -0.88 30.03 -13.31 -2.37 30.10 -13.35 -1.63 2 0 15.54 -999 ? O4 SO4 A 8 >GLY.A 76 27.88 -11.01 0.99 28.41 -11.46 1.40 28.15 -11.23 1.20 1 0 17.00 -999 ? O4 SO4 A 8 >GLU.A 77 28.35 -15.05 4.65 29.26 -16.77 5.53 28.80 -15.91 5.09 2 0 11.40 -999 ? O2 SO4 A 8 >ARG^A 78 28.29 -6.49 7.03 29.78 -3.78 7.20 29.04 -5.14 7.12 2 0 20.68 -999 ? O4 SO4 A 8 >ILE^A 79 33.25 -10.90 9.37 34.25 -11.48 8.48 33.75 -11.19 8.93 3 0 12.61 -999 ? O4 SO4 A 8 >PHE^A 80 32.82 -6.74 14.83 33.56 -4.70 16.60 33.19 -5.72 15.72 3 0 19.92 -999 ? O4 SO4 A 8 >GLY^A 81 36.92 -8.89 12.41 36.88 -8.20 12.76 36.90 -8.55 12.59 1 0 14.62 -999 ? O4 SO4 A 8 >ASN^A 82 40.68 -9.45 15.09 42.47 -9.00 16.10 41.57 -9.22 15.60 2 0 15.88 -999 ? O3 PG4 A 5 >TYR^A 83 41.03 -7.04 9.76 38.24 -7.31 9.51 39.64 -7.18 9.63 3 0 14.89 -999 ? O4 SO4 A 8 >SER^A 84 46.76 -7.05 11.05 47.57 -8.34 12.97 47.16 -7.70 12.01 2 0 10.30 -999 ? O3 PG4 A 5 >PHE^A 85 45.90 -3.36 7.82 43.15 -3.04 7.77 44.52 -3.20 7.79 3 0 12.67 -999 ? O3 PG4 A 5 >LEU^A 86 51.14 -8.08 6.68 50.86 -9.70 8.12 51.00 -8.89 7.40 3 0 4.28 -999 ? O3 PG4 A 5 >GLU^A 87 52.45 -6.59 2.22 53.28 -8.50 2.39 52.87 -7.54 2.31 2 0 -3.55 -999 ? C4 PG4 A 5s >ALA^A 88 50.61 -2.90 0.67 51.34 -1.81 -0.15 50.97 -2.36 0.26 2 0 10.93 -999 ? C4 PG4 A 5 >GLY.A 89 48.87 -5.34 -1.69 49.25 -4.73 -2.03 49.06 -5.03 -1.86 1 0 9.93 -999 ? C3 PG4 A 5 >GLU.A 90 48.88 -8.49 -4.94 48.92 -8.50 -2.81 48.90 -8.49 -3.88 2 0 8.77 -999 ? C3 PG4 A 5 >SER.A 91 46.17 -6.55 -8.21 45.52 -8.72 -9.25 45.84 -7.64 -8.73 2 0 15.56 -999 ? C3 PG4 A 5 >GLY.A 92 43.62 -4.10 -6.68 44.06 -4.53 -6.18 43.84 -4.32 -6.43 1 0 16.40 -999 ? C3 PG4 A 5 >PHE.A 93 43.40 -7.71 -3.26 41.74 -9.50 -4.59 42.57 -8.60 -3.92 3 0 13.57 -999 ? C3 PG4 A 5 >ALA.A 94 44.92 -2.29 -0.95 43.94 -1.40 -0.15 44.43 -1.84 -0.55 2 0 14.84 -999 ? C3 PG4 A 5 >TYR^A 95 46.40 -2.50 3.31 46.68 0.22 3.68 46.54 -1.14 3.49 3 0 12.72 -999 ? O3 PG4 A 5 >ASN^A 96 48.93 -8.67 2.00 49.18 -8.74 -0.10 49.06 -8.70 0.95 2 0 6.65 -999 ? C3 PG4 A 5 >ILE^A 97 45.02 -8.40 6.32 43.69 -8.12 6.15 44.36 -8.26 6.23 3 0 9.88 -999 ? C3 PG4 A 5 >ARG^A 98 48.38 -13.22 11.62 50.64 -11.21 12.22 49.51 -12.21 11.92 2 0 7.53 -999 ? O3 PG4 A 5 >LEU^A 99 42.00 -13.23 8.80 39.82 -13.17 8.98 40.91 -13.20 8.89 3 0 8.91 -999 ? O4 SO4 A 8 >ASN^A 100 43.89 -11.85 14.45 45.63 -10.79 13.78 44.76 -11.32 14.11 2 0 11.85 -999 ? O3 PG4 A 5 >ASP^A 101 39.74 -13.23 15.90 38.34 -14.32 17.05 39.04 -13.77 16.47 2 0 13.41 -999 ? O4 SO4 A 8 >TYR^A 102 35.84 -13.80 11.34 35.41 -16.19 10.08 35.63 -15.00 10.71 3 0 9.35 -999 ? O4 SO4 A 8 >THR^A 103 32.56 -13.17 14.31 31.22 -12.42 15.84 31.89 -12.80 15.07 2 0 16.23 -999 ? O4 SO4 A 8 >LEU^A 104 28.95 -14.70 11.43 29.58 -15.98 9.79 29.27 -15.34 10.61 3 0 13.05 -999 ? O2 SO4 A 8 >VAL^A 105 27.31 -10.50 11.72 27.90 -8.46 12.11 27.60 -9.48 11.91 3 0 18.49 -999 ? O4 SO4 A 8 >PRO.A 106 23.15 -11.38 12.90 24.35 -11.10 10.98 23.75 -11.24 11.94 3 0 19.98 -999 ? O2 SO4 A 8 >VAL^A 107 22.61 -9.12 7.59 23.76 -8.59 5.82 23.18 -8.86 6.71 3 0 21.13 -999 ? O2 SO4 A 8 >GLN^A 108 18.19 -8.98 9.90 17.14 -8.67 11.74 17.66 -8.82 10.82 2 0 18.13 -999 ? C4 PG4 A 4 >LYS^A 109 16.71 -6.54 5.01 17.08 -11.26 2.44 16.90 -8.90 3.73 2 0 17.64 -999 ? O2 PG4 A 1 >ILE.A 110 14.79 -2.09 4.93 14.96 -0.63 4.97 14.87 -1.36 4.95 3 0 10.46 -999 ? O2 PG4 A 1 >ILE^A 111 10.47 -5.44 6.89 10.55 -6.34 8.05 10.51 -5.89 7.47 3 0 11.37 -999 ? O2 PG4 A 1 >GLY^A 112 7.62 -2.42 5.59 7.79 -3.00 6.18 7.70 -2.71 5.89 1 0 6.76 -999 ? O2 PG4 A 1 >LEU^A 113 6.39 -0.68 9.86 5.59 -0.44 11.89 5.99 -0.56 10.87 3 0 6.44 -999 ? O1 PG4 B 3 >ASN.A 114 1.67 -2.08 6.80 1.78 -4.19 6.81 1.72 -3.13 6.80 2 0 8.02 -999 ? C1 PG4 A 1 >PRO.A 115 -2.15 -0.05 8.95 -0.74 -1.58 9.73 -1.44 -0.81 9.34 3 0 7.47 -999 ? C1 PG4 B 3 >ASP.A 116 -1.61 -6.28 8.50 -3.30 -5.54 7.56 -2.45 -5.91 8.03 2 0 11.56 -999 ? O1 PG4 A 1 >ASN~A 117 3.34 -6.78 9.94 4.20 -5.03 9.08 3.77 -5.90 9.51 2 0 10.07 -999 ? C1 PG4 A 1 >MET?A 118 2.57 -3.61 13.48 0.41 -0.13 14.78 1.49 -1.87 14.13 2 0 5.38 -999 ? C1 PG4 B 3 >ASP~A 119 0.34 -6.45 16.73 0.18 -7.07 18.73 0.26 -6.76 17.73 2 0 11.02 -999 ? O1 PG4 A 4 >SER~A 120 4.12 -8.57 15.52 4.63 -9.00 13.21 4.37 -8.78 14.36 2 0 13.55 -999 ? O1 PG4 B 3 >ILE~A 121 6.97 -5.02 13.68 7.50 -4.40 12.49 7.23 -4.71 13.08 3 0 10.07 -999 ? O1 PG4 B 3 >GLY~A 122 6.47 -4.33 18.19 6.75 -3.92 17.53 6.61 -4.13 17.86 1 0 7.48 -999 ? O1 PG4 A 4 >ASN.A 123 7.53 -0.05 19.24 8.79 1.68 19.14 8.16 0.82 19.19 2 0 -4.11 -999 ? O2 PG4 A 4s >MET?A 124 9.73 -2.48 22.91 8.71 -6.51 23.75 9.22 -4.49 23.33 2 0 9.21 -999 ? O1 PG4 A 4 >LYS.A 125 12.51 -0.63 24.70 10.93 4.01 26.53 11.72 1.69 25.61 2 0 7.04 -999 ? O1 PG4 B 6 >VAL.A 126 16.02 -1.62 23.58 16.77 -1.79 21.49 16.40 -1.71 22.53 3 0 11.50 -999 ? O1 PG4 A 4 >GLN^A 127 21.53 -0.56 26.34 22.46 -1.39 28.09 22.00 -0.97 27.22 2 0 18.30 -999 ? O1 PG4 A 4 >ILE^A 128 21.24 1.75 20.82 21.01 0.96 19.64 21.12 1.36 20.23 3 0 14.76 -999 ? O3 PG4 A 4 >LYS^A 129 25.44 0.57 22.37 27.64 -3.14 26.93 26.54 -1.29 24.65 2 0 23.23 -999 ? O1 PG4 A 4 >ASP^A 130 27.81 1.11 18.36 29.34 1.35 19.74 28.57 1.23 19.05 2 0 22.58 -999 ? O3 PG4 A 4 >MET?A 131 24.74 2.79 15.68 20.77 4.07 14.66 22.75 3.43 15.17 2 0 13.78 -999 ? O3 PG4 A 4 >TRP^A 132 29.32 3.08 11.10 29.44 -0.02 13.52 29.38 1.53 12.31 3 0 22.97 -999 ? O3 PG4 A 4 >PRO^A 133 25.20 6.32 8.80 25.68 4.19 9.42 25.44 5.25 9.11 3 0 19.86 -999 ? O3 PG4 A 4 >SER.A 134 28.19 2.91 6.20 27.96 0.52 6.06 28.07 1.72 6.13 2 0 22.17 -999 ? C4 PG4 A 1 >ASP.A 135 28.93 2.79 1.32 28.41 3.61 -0.65 28.67 3.20 0.34 2 0 22.10 -999 ? C4 PG4 A 1 >ASP.A 136 26.36 -1.46 1.80 27.48 -1.23 0.03 26.92 -1.35 0.92 2 0 21.81 -999 ? C4 PG4 A 1 >TYR^A 137 25.70 -3.01 5.61 26.61 -5.06 3.90 26.15 -4.03 4.75 3 0 21.54 -999 ? C4 PG4 A 1 >LEU^A 138 21.57 0.95 9.37 21.02 2.41 10.90 21.30 1.68 10.14 3 0 16.16 -999 ? O3 PG4 A 4 >ASN^A 139 26.75 -0.86 11.53 27.36 -1.17 9.50 27.06 -1.01 10.52 2 0 22.52 -999 ? O3 PG4 A 4 >VAL^A 140 23.89 -1.59 15.16 21.79 -1.07 15.36 22.84 -1.33 15.26 3 0 17.12 -999 ? O3 PG4 A 4 >ARG^A 141 28.94 -3.69 19.98 30.61 -2.26 22.11 29.77 -2.98 21.05 2 0 25.07 -999 ? O3 PG4 A 4 >PHE^A 142 21.00 -4.61 19.52 19.94 -6.85 18.21 20.47 -5.73 18.86 3 0 17.14 -999 ? O1 PG4 A 4 >MET?A 143 21.71 -5.60 23.90 24.62 -5.28 25.61 23.17 -5.44 24.76 2 0 20.75 -999 ? O1 PG4 A 4 >LEU^A 144 19.02 -8.98 22.09 20.49 -10.16 21.03 19.75 -9.57 21.56 3 0 18.34 -999 ? O1 PG4 A 4 >ASN^A 145 15.93 -10.55 26.30 15.35 -8.67 27.15 15.64 -9.61 26.72 2 0 15.35 -999 ? O1 PG4 A 4 >PHE.A 146 20.17 -16.13 26.89 21.31 -18.61 26.24 20.74 -17.37 26.56 3 0 25.02 -999 ? O1 PG4 A 4 >PRO.A 147 18.15 -16.57 22.52 17.06 -16.16 24.46 17.60 -16.36 23.49 3 0 22.01 -999 ? O1 PG4 A 4 >SER.A 148 14.20 -18.05 26.92 13.89 -15.88 28.01 14.04 -16.96 27.46 2 0 20.58 -999 ? O1 PG4 A 4 >PRO.A 149 10.99 -20.71 24.65 12.70 -19.30 25.13 11.85 -20.00 24.89 3 0 23.04 -999 ? O1 SO4 B 7 >GLN.A 150 9.54 -17.25 21.26 9.75 -17.86 19.22 9.65 -17.55 20.24 2 0 20.48 -999 ? O1 PG4 A 4 >LYS.A 151 14.98 -15.45 20.05 20.34 -13.83 18.10 17.66 -14.64 19.08 2 0 22.04 -999 ? O1 PG4 A 4 >PRO.A 152 15.47 -11.57 22.12 14.61 -12.29 20.18 15.04 -11.93 21.15 3 0 16.89 -999 ? O1 PG4 A 4 >ILE^A 153 12.66 -9.80 15.92 11.28 -10.32 15.66 11.97 -10.06 15.79 3 0 15.04 -999 ? O1 PG4 A 4 >LEU^A 154 16.84 -5.79 16.31 17.44 -3.72 16.82 17.14 -4.75 16.57 3 0 14.30 -999 ? O3 PG4 A 4 >ASN^A 155 12.59 -5.11 12.22 12.30 -7.18 11.91 12.44 -6.14 12.07 2 0 14.39 -999 ? C4 PG4 A 4 >LEU^A 156 15.99 -1.36 9.92 16.99 0.56 9.70 16.49 -0.40 9.81 3 0 13.24 -999 ? O3 PG4 A 4 >VAL^A 157 11.38 -0.56 9.10 10.22 -0.92 10.88 10.80 -0.74 9.99 3 0 9.99 -999 ? O1 PG4 B 3 >VAL^A 158 9.79 1.93 6.78 10.14 2.44 4.67 9.97 2.19 5.73 3 0 5.48 -999 ? C4 PG4 A 1 >ASN^A 159 6.74 4.25 9.69 4.97 4.28 10.92 5.86 4.27 10.31 2 0 -3.35 -999 ? O1 PG4 B 3s >GLU.A 160 4.99 1.22 4.51 4.76 -0.69 3.64 4.87 0.27 4.08 2 0 -3.27 -999 ? C1 PG4 A 1s >MET?A 161 1.31 4.52 8.35 0.50 1.65 11.47 0.91 3.09 9.91 2 0 -3.75 -999 ? C1 PG4 B 3s >ILE.A 162 3.70 8.40 9.48 4.85 7.97 10.29 4.28 8.18 9.89 3 0 -5.19 -999 ? C4 PG4 B 3s >PRO.A 163 1.99 12.42 7.53 2.73 10.52 6.49 2.36 11.47 7.01 3 0 5.72 -999 ? O4 PG4 A 1 >TRP.A 164 3.74 11.31 0.59 5.68 7.96 0.11 4.71 9.64 0.35 3 0 -4.05 -999 ? O4 PG4 A 1s >THR.A 165 8.27 14.13 5.05 9.55 12.97 6.18 8.91 13.55 5.62 2 0 8.77 -999 ? C5 PG4 A 1 >ASP.A 167 13.10 17.16 5.91 13.27 15.13 6.57 13.19 16.14 6.24 2 0 12.67 -999 ? C5 PG4 A 1 >GLY.A 168 15.18 15.26 2.01 15.01 15.03 2.74 15.10 15.14 2.38 1 0 13.56 -999 ? C5 PG4 A 1 >TYR^A 169 17.39 13.91 6.62 19.54 15.47 7.42 18.47 14.69 7.02 3 0 16.22 -999 ? O3 PG4 A 1 >ALA^A 170 15.37 9.02 4.76 16.37 7.90 4.47 15.87 8.46 4.61 2 0 10.78 -999 ? C4 PG4 A 1 >HIS^A 171 12.11 10.49 7.81 12.45 12.56 7.84 12.28 11.53 7.82 3 0 10.14 -999 ? O3 PG4 A 1 >LEU^A 172 14.68 3.89 8.77 15.14 3.35 6.69 14.91 3.62 7.73 3 0 10.13 -999 ? O3 PG4 A 1 >GLU^A 173 10.37 4.41 12.44 8.39 4.58 13.22 9.38 4.50 12.83 2 0 4.27 -999 ? O3 PG4 A 4 >LEU^A 174 15.61 0.59 15.37 17.58 -0.12 14.92 16.59 0.23 15.14 3 0 10.93 -999 ? O3 PG4 A 4 >ARG^A 175 9.40 0.06 15.74 6.49 1.11 15.41 7.94 0.59 15.58 2 0 -4.08 -999 ? C4 PG4 A 4s >TYR^A 176 14.08 -5.05 21.02 14.99 -7.12 22.65 14.53 -6.09 21.83 3 0 12.10 -999 ? O1 PG4 A 4 >ASN^A 177 9.56 -7.82 19.02 7.68 -8.40 19.86 8.62 -8.11 19.44 2 0 10.83 -999 ? O1 PG4 A 4 >ASN.A 178 12.08 -9.23 24.25 10.36 -8.92 25.46 11.22 -9.07 24.85 2 0 12.39 -999 ? O1 PG4 A 4 >ASN.A 179 9.81 -12.91 20.74 9.57 -12.10 18.77 9.69 -12.51 19.76 2 0 15.02 -999 ? O1 PG4 A 4 >GLY.A 180 8.41 -12.98 25.53 9.12 -12.75 25.30 8.77 -12.87 25.41 1 0 15.62 -999 ? O1 PG4 A 4 >SER.A 181 12.10 -13.49 26.44 12.94 -15.02 24.80 12.52 -14.25 25.62 2 0 18.74 -999 ? O1 PG4 A 4 >GLN.A 182 10.12 -11.30 30.31 8.76 -11.60 31.94 9.44 -11.45 31.12 2 0 17.08 -999 ? O1 PG4 A 4 >GLY.A 183 16.04 -12.99 30.33 15.97 -12.27 30.03 16.00 -12.63 30.18 1 0 20.06 -999 ? O1 PG4 A 4 >ARG.A 184 22.28 -14.45 31.24 23.61 -16.38 29.18 22.94 -15.42 30.21 2 0 26.74 -999 ? O1 PG4 A 4 >LEU^A 185 20.90 -7.56 28.56 19.19 -6.22 28.40 20.04 -6.89 28.48 3 0 18.18 -999 ? O1 PG4 A 4 >VAL^A 186 23.66 -10.11 25.89 23.04 -12.18 25.63 23.35 -11.15 25.76 3 0 22.45 -999 ? O1 PG4 A 4 >PRO^A 187 27.36 -8.40 24.65 25.34 -8.60 23.70 26.35 -8.50 24.17 3 0 23.42 -999 ? O1 PG4 A 4 >GLY^A 188 24.46 -8.40 19.52 24.84 -7.63 19.69 24.65 -8.02 19.60 1 0 21.76 -999 ? O1 PG4 A 4 >MET?A 189 25.48 -6.90 16.23 27.96 -4.36 15.44 26.72 -5.63 15.84 2 0 23.00 -999 ? O3 PG4 A 4 >VAL^A 190 23.42 -6.63 13.07 21.29 -6.18 13.02 22.35 -6.41 13.04 3 0 19.70 -999 ? O3 PG4 A 4 >SER^A 191 23.83 -4.91 9.70 26.23 -4.89 9.50 25.03 -4.90 9.60 2 0 22.08 -999 ? O4 SO4 A 8 >PHE^A 192 19.25 -3.26 9.81 18.34 -4.14 12.29 18.79 -3.70 11.05 3 0 16.01 -999 ? O3 PG4 A 4 >LYS^A 193 21.07 -3.34 4.09 23.58 -4.81 0.46 22.33 -4.07 2.28 2 0 19.09 -999 ? O2 PG4 A 1 >LEU.A 194 21.07 1.43 3.52 21.29 2.49 5.48 21.18 1.96 4.50 3 0 15.08 -999 ? C4 PG4 A 1 >ASP~A 195 18.35 -1.26 -0.59 19.02 -3.25 -0.32 18.68 -2.26 -0.45 2 0 14.33 -999 ? O2 PG4 A 1 >ASP~A 196 16.13 2.89 -2.22 15.70 1.63 -3.86 15.91 2.26 -3.04 2 0 11.01 -999 ? O2 PG4 A 1 >TYR~A 197 15.82 3.91 2.76 13.12 3.67 2.20 14.47 3.79 2.48 3 0 8.01 -999 ? C4 PG4 A 1 >SER~A 198 21.85 4.45 1.51 22.90 3.48 -0.37 22.37 3.96 0.57 2 0 16.61 -999 ? C4 PG4 A 1 >PRO.A 199 25.64 6.33 2.46 23.98 6.65 0.99 24.81 6.49 1.73 3 0 -18.46 -999 ? C4 PG4 A 1s >GLU.A 200 25.86 3.93 -2.69 27.54 4.23 -3.89 26.70 4.08 -3.29 2 0 -21.89 -999 ? C4 PG4 A 1s >ASN.A 201 19.76 7.26 -2.50 18.00 8.16 -3.29 18.88 7.71 -2.89 2 0 -13.27 -999 ? C4 PG4 A 1s >SER.A 202 22.01 11.01 -4.45 21.41 11.35 -6.72 21.71 11.18 -5.59 2 0 18.70 -999 ? C4 PG4 A 1s >GLU.A 203 17.06 11.97 -5.53 17.20 13.78 -6.55 17.13 12.88 -6.04 2 0 -16.69 -999 ? C4 PG4 A 1s >LEU.A 204 19.22 10.53 0.85 17.58 9.06 0.84 18.40 9.80 0.84 3 0 13.16 -999 ? C4 PG4 A 1 >LYS.A 205 20.50 14.56 2.62 17.89 20.42 2.54 19.20 17.49 2.58 2 0 19.12 -999 ? C5 PG4 A 1 >GLY^A 206 20.91 11.81 5.26 20.15 11.75 4.91 20.53 11.78 5.08 1 0 16.51 -999 ? O3 PG4 A 1 >ILE^A 207 19.57 7.88 7.19 20.03 6.52 7.67 19.80 7.20 7.43 3 0 14.62 -999 ? O3 PG4 A 1 >LYS^A 208 16.96 9.60 10.54 15.01 15.71 10.28 15.99 12.65 10.41 2 0 14.46 -999 ? O3 PG4 A 4 >VAL^A 209 16.42 6.53 12.69 17.71 4.78 12.36 17.06 5.66 12.53 3 0 10.82 -999 ? O3 PG4 A 4 >LEU^A 210 12.27 6.52 15.24 11.01 8.34 15.34 11.64 7.43 15.29 3 0 5.07 -999 ? O3 PG4 A 4 >VAL^A 211 14.56 4.31 18.56 16.63 3.64 18.87 15.60 3.97 18.71 3 0 8.58 -999 ? O3 PG4 A 4 >ASN.A 212 11.36 2.59 21.61 10.14 2.73 23.35 10.75 2.66 22.48 2 0 4.85 -999 ? C1 PG4 A 4 >PRO.A 213 15.14 5.77 24.34 14.84 3.60 23.85 14.99 4.69 24.10 3 0 9.76 -999 ? C1 PG4 A 4 >VAL.A 214 15.57 1.54 27.60 17.21 0.06 27.69 16.39 0.80 27.65 3 0 12.27 -999 ? O1 PG4 A 4 >GLY.A 216 14.84 7.56 27.97 14.37 6.91 28.02 14.61 7.24 28.00 1 0 9.60 -999 ? O1 PG4 B 6 >GLU.A 217 11.31 10.05 27.42 10.24 8.59 28.57 10.77 9.32 28.00 2 0 5.22 -999 ? O1 PG4 B 6 >GLU.A 218 10.40 7.35 19.66 10.57 5.25 19.32 10.48 6.30 19.49 2 0 3.89 -999 ? O3 PG4 A 4 >LYS^A 219 14.53 9.57 20.14 20.01 9.19 22.50 17.27 9.38 21.32 2 0 14.21 -999 ? O3 PG4 A 4 >THR^A 220 15.91 10.21 16.62 14.78 11.27 15.12 15.35 10.74 15.87 2 0 9.60 -999 ? O3 PG4 A 4 >TYR^A 221 20.36 7.34 16.82 20.91 6.15 19.28 20.63 6.74 18.05 3 0 13.39 -999 ? O3 PG4 A 4 >ILE^A 222 20.09 13.27 12.88 19.30 14.45 12.81 19.70 13.86 12.84 3 0 15.50 -999 ? O3 PG4 A 4 >PHE^A 223 23.60 8.68 11.24 23.61 7.09 13.56 23.61 7.88 12.40 3 0 17.14 -999 ? O3 PG4 A 4 >SER^A 224 23.92 13.40 7.41 25.85 14.74 7.93 24.89 14.07 7.67 2 0 22.61 -999 ? O3 PG4 A 1 >TYR.A 225 23.48 10.28 3.46 22.35 7.84 4.22 22.91 9.06 3.84 3 0 17.18 -999 ? C4 PG4 A 1 >PRO.A 226 28.94 13.90 1.79 27.32 12.66 2.68 28.13 13.28 2.24 3 0 23.42 -999 ? C4 PG4 A 1 >LEU.A 227 29.34 8.41 5.32 27.40 7.64 6.00 28.37 8.02 5.66 3 0 22.48 -999 ? C4 PG4 A 1 >THR.A 228 33.14 11.12 5.83 32.86 12.93 6.93 33.00 12.03 6.38 2 0 28.16 -999 ? C4 PG4 A 1 >GLY.A 229 34.00 8.22 8.20 33.66 8.90 8.50 33.83 8.56 8.35 1 0 28.05 -999 ? O3 PG4 A 5 >GLU.A 230 34.53 12.71 10.91 34.01 14.70 10.38 34.27 13.70 10.65 2 0 29.02 -999 ? O3 PG4 A 4 >ASP.A 231 29.26 8.17 11.42 28.26 9.92 10.79 28.76 9.04 11.11 2 0 22.33 -999 ? O3 PG4 A 4 >VAL.A 232 32.39 5.09 12.67 33.26 3.84 11.04 32.82 4.46 11.86 3 0 26.09 -999 ? O3 PG4 A 4 >PRO.A 233 30.89 2.99 16.23 32.73 4.13 15.65 31.81 3.56 15.94 3 0 24.61 -999 ? O3 PG4 A 4 >GLY.A 234 36.45 2.76 17.40 35.68 2.57 17.71 36.06 2.66 17.55 1 0 25.42 -999 ? O3 PG4 A 5 >PHE.A 235 34.28 -1.43 17.41 31.75 -0.60 16.60 33.01 -1.01 17.01 3 0 24.45 -999 ? O4 SO4 A 8 >ASN~A 236 39.44 -2.52 21.77 38.14 -2.16 23.37 38.79 -2.34 22.57 2 0 25.58 -999 ? O3 PG4 A 5 >PRO~A 237 41.61 -6.47 20.81 39.40 -6.18 20.98 40.50 -6.33 20.89 3 0 21.09 -999 ? O3 PG4 A 5 >LEU~A 238 36.97 -6.26 25.30 36.19 -6.99 27.24 36.58 -6.62 26.27 3 0 25.51 -999 ? O4 SO4 A 8 >ASP~A 239 34.23 -4.47 20.89 34.36 -2.67 22.00 34.29 -3.57 21.44 2 0 25.50 -999 ? O4 SO4 A 8 >LEU~A 240 35.88 -8.85 18.51 35.99 -10.34 16.92 35.94 -9.59 17.72 3 0 17.35 -999 ? O4 SO4 A 8 >ALA~A 241 35.24 -11.22 22.29 36.32 -11.16 23.41 35.78 -11.19 22.85 2 0 20.67 -999 ? O3 SO4 A 8 >GLU~A 242 32.18 -8.17 25.57 31.87 -6.07 25.76 32.03 -7.12 25.66 2 0 26.53 -999 ? O4 SO4 A 8 >LEU.A 243 30.05 -10.28 19.48 29.01 -8.48 18.90 29.53 -9.38 19.19 3 0 20.96 -999 ? O4 SO4 A 8 >LYS.A 244 31.01 -14.80 20.57 35.19 -16.29 17.49 33.10 -15.55 19.03 2 0 13.55 -999 ? O3 SO4 A 8 >THR.B 34 -17.32 -3.02 48.38 -18.48 -4.77 48.99 -17.90 -3.90 48.68 2 0 18.43 -999 ? O3 SO4 B 10 >VAL.B 35 -15.86 -5.01 45.41 -17.28 -6.68 45.08 -16.57 -5.85 45.24 3 0 16.28 -999 ? O3 SO4 B 10 >THR^B 36 -14.27 -3.68 42.23 -12.59 -2.33 42.26 -13.43 -3.01 42.25 2 0 16.40 -999 ? O3 SO4 B 10 >ILE^B 37 -16.71 -4.85 38.25 -17.06 -6.23 38.48 -16.88 -5.54 38.37 3 0 11.16 -999 ? O3 SO4 B 10 >ALA^B 38 -12.49 -3.83 36.34 -11.55 -2.89 37.19 -12.02 -3.36 36.76 2 0 14.85 -999 ? O3 SO4 B 10 >MET?B 39 -10.20 -4.86 33.53 -11.71 -5.27 30.47 -10.96 -5.06 32.00 2 0 14.00 -999 ? O1 SO4 B 10 >ALA^B 40 -6.85 -6.45 34.20 -6.72 -7.19 35.59 -6.78 -6.82 34.90 2 0 15.48 -999 ? O4 SO4 B 7 >THR^B 41 -4.07 -8.08 32.28 -3.23 -7.21 30.51 -3.65 -7.64 31.39 2 0 15.21 -999 ? O1 PG4 A 4 >VAL^B 42 -2.44 -11.26 33.54 -3.27 -13.33 33.73 -2.86 -12.29 33.64 3 0 12.31 -999 ? O4 SO4 B 7 >GLU^B 43 1.40 -8.78 33.16 1.73 -9.06 31.07 1.57 -8.92 32.11 2 0 14.71 -999 ? O1 PG4 A 4 >LYS.B 44 3.98 -13.61 35.17 2.27 -19.40 34.74 3.12 -16.51 34.96 2 0 10.29 -999 ? O1 SO4 B 7 >GLN.B 45 7.69 -10.79 36.19 8.65 -9.06 37.02 8.17 -9.92 36.60 2 0 18.82 -999 ? O1 PG4 A 4 >PRO.B 46 11.58 -15.22 35.57 9.64 -15.69 36.65 10.61 -15.45 36.11 3 0 18.84 -999 ? O4 SO4 B 7 >GLN.B 47 10.68 -12.78 40.78 10.79 -11.69 39.01 10.73 -12.23 39.90 2 0 20.18 -999 ? O4 SO4 B 7 >TYR.B 48 6.52 -13.24 41.29 7.49 -10.66 41.60 7.01 -11.95 41.44 3 0 16.86 -999 ? O4 SO4 B 7 >ASP.B 49 5.37 -19.86 42.79 4.23 -19.42 44.54 4.80 -19.64 43.66 2 0 11.45 -999 ? O3 SO4 B 7 >ALA.B 50 1.64 -17.78 40.41 0.74 -17.61 41.66 1.19 -17.69 41.03 2 0 8.57 -999 ? O4 SO4 B 7 >PRO.B 51 -1.38 -17.07 37.34 0.38 -16.03 38.22 -0.50 -16.55 37.78 3 0 8.50 -999 ? O4 SO4 B 7 >TYR^B 52 1.60 -10.60 38.90 3.66 -9.56 37.29 2.63 -10.08 38.09 3 0 15.15 -999 ? O4 SO4 B 7 >LEU^B 53 -4.26 -9.22 38.23 -5.66 -10.82 37.86 -4.96 -10.02 38.05 3 0 12.22 -999 ? O4 SO4 B 7 >VAL^B 54 -1.98 -5.73 36.38 -0.03 -5.23 35.49 -1.01 -5.48 35.94 3 0 17.02 -999 ? O1 PG4 A 4 >LEU^B 55 -5.15 -2.30 37.67 -6.65 -2.89 39.14 -5.90 -2.60 38.41 3 0 19.42 -999 ? O4 SO4 B 7 >ASP.B 56 -6.02 -0.25 32.75 -6.69 -1.84 31.52 -6.35 -1.04 32.13 2 0 15.87 -999 ? O1 PG4 A 4 >ASN.B 57 -4.00 2.69 37.08 -4.17 1.50 38.82 -4.09 2.10 37.95 2 0 16.77 -999 ? O1 PG4 B 6 >GLY.B 58 -0.17 -0.14 36.23 -0.73 -0.18 36.75 -0.45 -0.16 36.49 1 0 13.80 -999 ? O1 PG4 B 6 >GLU.B 59 -1.63 0.55 41.20 -2.93 1.22 42.71 -2.28 0.88 41.95 2 0 19.28 -999 ? O1 PG4 B 6 >LYS^B 60 0.04 -5.05 40.26 6.00 -4.68 38.18 3.02 -4.87 39.22 2 0 17.27 -999 ? O1 PG4 B 6 >LEU^B 61 -3.69 -7.25 41.97 -5.01 -5.47 41.87 -4.35 -6.36 41.92 3 0 15.77 -999 ? O4 SO4 B 7 >TRP^B 62 0.12 -12.59 46.54 2.31 -14.15 43.69 1.22 -13.37 45.12 3 0 12.48 -999 ? O4 SO4 B 7 >VAL^B 63 -3.92 -13.01 44.51 -5.17 -13.80 42.90 -4.54 -13.40 43.70 3 0 9.34 -999 ? O4 SO4 B 7 >VAL^B 64 -4.01 -14.26 48.11 -3.50 -12.49 49.34 -3.76 -13.37 48.72 3 0 12.25 -999 ? O4 SO4 B 7 >GLN^B 65 -7.96 -15.24 50.38 -9.07 -14.10 51.82 -8.52 -14.67 51.10 2 0 -14.07 -999 ? O4 SO4 B 7s >HIS^B 66 -8.32 -18.79 44.13 -7.72 -20.80 44.30 -8.02 -19.80 44.21 3 0 4.60 -999 ? O4 SO4 B 7 >ILE.B 67 -14.53 -17.22 44.67 -15.85 -16.88 45.43 -15.19 -17.05 45.05 3 0 10.94 -999 ? O4 SO4 B 7 >VAL.B 68 -12.63 -19.19 40.94 -13.64 -17.56 39.90 -13.13 -18.37 40.42 3 0 7.45 -999 ? O4 SO4 B 7 >PRO.B 69 -11.35 -22.60 38.58 -10.41 -20.71 39.39 -10.88 -21.65 38.99 3 0 -3.89 -999 ? O2 SO4 B 7s >TYR.B 70 -5.85 -17.44 40.21 -3.95 -17.68 42.25 -4.90 -17.56 41.23 3 0 -4.72 -999 ? O4 SO4 B 7s >ARG.B 71 -2.67 -22.42 41.49 -4.27 -22.83 44.10 -3.47 -22.63 42.79 2 0 -3.68 -999 ? O3 SO4 B 7s >ASP.B 72 -4.88 -22.36 34.26 -6.77 -21.52 34.92 -5.83 -21.94 34.59 2 0 -4.34 -999 ? O1 SO4 B 7s >LEU.B 73 -4.53 -16.74 34.17 -6.63 -16.24 34.30 -5.58 -16.49 34.24 3 0 8.25 -999 ? O4 SO4 B 7 >LYS.B 74 -1.20 -16.96 31.01 -0.11 -21.97 31.92 -0.65 -19.46 31.47 2 0 9.28 -999 ? O1 SO4 B 7 >ALA.B 75 0.73 -13.73 30.57 2.25 -13.68 30.55 1.49 -13.71 30.56 2 0 15.41 -999 ? O1 SO4 B 7 >GLY.B 76 -1.05 -11.31 28.26 -1.49 -11.78 28.78 -1.27 -11.54 28.52 1 0 16.04 -999 ? O1 PG4 A 4 >GLU.B 77 -4.60 -15.34 28.69 -5.56 -17.06 29.48 -5.08 -16.20 29.09 2 0 11.32 -999 ? O1 SO4 B 7 >ARG^B 78 -7.07 -6.80 28.45 -7.25 -4.07 29.82 -7.16 -5.44 29.13 2 0 16.09 -999 ? O1 PG4 A 4 >ILE^B 79 -9.57 -11.26 33.28 -8.66 -11.81 34.32 -9.11 -11.54 33.80 3 0 12.54 -999 ? O4 SO4 B 7 >PHE^B 80 -15.00 -7.13 32.71 -16.83 -5.16 33.45 -15.92 -6.15 33.08 3 0 10.44 -999 ? O3 SO4 B 10 >GLY^B 81 -12.76 -9.26 36.91 -13.08 -8.55 36.85 -12.92 -8.90 36.88 1 0 14.50 -999 ? O4 SO4 B 7 >ASN^B 82 -15.60 -9.69 40.58 -16.65 -9.20 42.37 -16.13 -9.45 41.48 2 0 15.26 -999 ? O3 SO4 B 10 >TYR^B 83 -10.23 -7.48 41.10 -9.88 -7.71 38.33 -10.06 -7.60 39.72 3 0 14.74 -999 ? O4 SO4 B 7 >SER^B 84 -11.81 -7.53 46.79 -13.64 -9.02 47.34 -12.72 -8.27 47.07 2 0 16.26 -999 ? O4 SO4 B 7 >PHE^B 85 -8.57 -3.74 46.07 -8.25 -3.46 43.32 -8.41 -3.60 44.70 3 0 18.89 -999 ? O4 SO4 B 7 >LEU^B 86 -7.43 -8.44 51.38 -8.94 -10.00 50.97 -8.18 -9.22 51.18 3 0 16.73 -999 ? O4 SO4 B 7 >GLU^B 87 -3.07 -6.72 53.04 -3.36 -8.73 53.66 -3.22 -7.72 53.35 2 0 -18.97 -999 ? O4 SO4 B 7s >ALA^B 88 -1.50 -3.30 50.96 -0.70 -2.14 51.67 -1.10 -2.72 51.32 2 0 23.50 -999 ? O4 SO4 B 7 >GLY.B 89 0.85 -5.78 49.32 1.19 -5.12 49.70 1.02 -5.45 49.51 1 0 19.87 -999 ? O4 SO4 B 7 >GLU.B 90 4.17 -8.82 49.33 2.03 -8.84 49.36 3.10 -8.83 49.35 2 0 18.03 -999 ? O4 SO4 B 7 >SER.B 91 7.47 -6.86 46.81 8.44 -8.99 46.03 7.95 -7.92 46.42 2 0 20.59 -999 ? O4 SO4 B 7 >GLY.B 92 6.17 -4.47 44.13 5.63 -4.85 44.59 5.90 -4.66 44.36 1 0 21.54 -999 ? O1 PG4 B 6 >PHE.B 93 2.71 -8.02 43.90 3.91 -9.89 42.27 3.31 -8.95 43.08 3 0 16.51 -999 ? O4 SO4 B 7 >ALA.B 94 0.33 -2.59 45.40 -0.43 -1.66 44.42 -0.05 -2.12 44.91 2 0 21.04 -999 ? O1 PG4 B 6 >TYR^B 95 -4.06 -2.93 46.78 -4.41 -0.22 47.12 -4.24 -1.58 46.95 3 0 21.49 -999 ? O4 SO4 B 7 >ASN^B 96 -2.75 -9.06 49.22 -0.68 -9.02 49.57 -1.71 -9.04 49.40 2 0 16.88 -999 ? O4 SO4 B 7 >ILE^B 97 -6.92 -8.79 45.20 -6.60 -8.40 43.85 -6.76 -8.59 44.52 3 0 13.94 -999 ? O4 SO4 B 7 >ARG^B 98 -12.35 -13.73 48.25 -12.78 -11.68 50.53 -12.56 -12.70 49.39 2 0 15.69 -999 ? O4 SO4 B 7 >LEU^B 99 -9.38 -13.61 42.10 -9.43 -13.41 39.95 -9.40 -13.51 41.03 3 0 8.88 -999 ? O4 SO4 B 7 >ASN^B 100 -15.04 -12.10 43.74 -14.47 -11.10 45.56 -14.75 -11.60 44.65 2 0 14.35 -999 ? O4 SO4 B 7 >ASP^B 101 -16.36 -13.48 39.59 -17.45 -14.58 38.13 -16.91 -14.03 38.86 2 0 13.31 -999 ? O4 SO4 B 7 >TYR^B 102 -11.60 -14.08 35.82 -10.36 -16.51 35.47 -10.98 -15.29 35.64 3 0 9.25 -999 ? O4 SO4 B 7 >THR^B 103 -14.50 -13.52 32.44 -15.95 -12.77 31.02 -15.23 -13.14 31.73 2 0 13.62 -999 ? O1 SO4 B 10 >LEU^B 104 -11.42 -15.00 28.97 -9.86 -16.34 29.71 -10.64 -15.67 29.34 3 0 13.03 -999 ? O1 SO4 B 7 >VAL^B 105 -11.73 -10.76 27.29 -12.10 -8.70 27.82 -11.91 -9.73 27.56 3 0 15.33 -999 ? O1 SO4 B 10 >PRO.B 106 -12.93 -11.49 23.11 -11.00 -11.33 24.31 -11.97 -11.41 23.71 3 0 17.09 -999 ? O1 SO4 B 10 >VAL^B 107 -7.64 -9.25 22.64 -5.85 -8.81 23.80 -6.74 -9.03 23.22 3 0 16.50 -999 ? O1 PG4 A 4 >GLN^B 108 -9.82 -9.21 18.07 -11.68 -8.73 17.06 -10.75 -8.97 17.56 2 0 17.90 -999 ? O3 PG4 B 2 >LYS^B 109 -4.94 -6.63 16.84 -1.10 -11.16 14.88 -3.02 -8.89 15.86 2 0 16.23 -999 ? O1 PG4 B 3 >ILE.B 110 -4.96 -2.25 14.86 -4.96 -0.83 15.08 -4.96 -1.54 14.97 3 0 9.37 -999 ? C2 PG4 B 3 >ILE^B 111 -6.85 -5.59 10.52 -7.97 -6.46 10.59 -7.41 -6.03 10.55 3 0 14.45 -999 ? C1 PG4 B 3 >GLY^B 112 -5.56 -2.40 7.70 -6.15 -3.03 7.81 -5.86 -2.72 7.76 1 0 11.63 -999 ? O1 PG4 A 1 >LEU^B 113 -9.86 -0.77 6.45 -11.80 -0.38 5.62 -10.83 -0.58 6.03 3 0 8.38 -999 ? C4 PG4 B 2 >ASN.B 114 -6.90 -1.87 1.68 -6.73 -3.96 1.84 -6.82 -2.91 1.76 2 0 10.78 -999 ? O1 PG4 A 1 >PRO.B 115 -8.81 0.04 -2.13 -9.73 -1.47 -0.70 -9.27 -0.71 -1.42 3 0 -12.13 -999 ? O1 PG4 A 1s >ASP.B 116 -8.36 -6.11 -1.62 -7.45 -5.44 -3.40 -7.90 -5.77 -2.51 2 0 12.57 -999 ? O1 PG4 A 1 >ASN~B 117 -9.84 -6.71 3.22 -8.97 -5.07 4.25 -9.41 -5.89 3.73 2 0 12.94 -999 ? C4 PG4 B 2 >MET?B 118 -13.45 -3.58 2.64 -14.69 -0.10 0.39 -14.07 -1.84 1.51 2 0 7.70 -999 ? O2 PG4 B 2 >ASP~B 119 -16.68 -6.40 0.38 -18.67 -6.94 0.19 -17.67 -6.67 0.29 2 0 10.44 -999 ? O1 PG4 B 2 >SER~B 120 -15.47 -8.61 4.16 -13.04 -8.89 4.17 -14.25 -8.75 4.16 2 0 13.80 -999 ? O1 PG4 B 2 >ILE~B 121 -13.61 -5.08 7.00 -12.38 -4.46 7.54 -13.00 -4.77 7.27 3 0 10.45 -999 ? C4 PG4 B 2 >GLY~B 122 -18.09 -4.36 6.54 -17.45 -3.96 6.83 -17.77 -4.16 6.69 1 0 7.16 -999 ? O1 PG4 B 2 >ASN.B 123 -19.21 -0.04 7.55 -19.15 1.68 8.85 -19.18 0.82 8.20 2 0 -3.92 -999 ? O2 PG4 B 2s >MET?B 124 -22.86 -2.58 9.78 -23.70 -6.56 8.56 -23.28 -4.57 9.17 2 0 8.79 -999 ? O1 PG4 B 2 >LYS.B 125 -24.64 -0.66 12.51 -26.37 4.13 11.12 -25.51 1.74 11.82 2 0 7.25 -999 ? C1 PG4 B 2 >VAL.B 126 -23.55 -1.74 15.98 -21.47 -1.94 16.59 -22.51 -1.84 16.29 3 0 11.43 -999 ? O1 PG4 B 2 >GLN^B 127 -26.54 -0.73 21.28 -28.13 -1.74 22.31 -27.34 -1.24 21.79 2 0 8.25 -999 ? O1 SO4 B 10 >ILE^B 128 -20.90 1.59 21.33 -19.69 0.85 21.03 -20.30 1.22 21.18 3 0 10.47 -999 ? O4 SO4 B 10 >LYS^B 129 -22.39 0.36 25.46 -26.84 -1.90 27.83 -24.62 -0.77 26.64 2 0 -2.83 -999 ? O1 SO4 B 10s >ASP^B 130 -18.40 0.92 27.82 -19.84 1.06 29.35 -19.12 0.99 28.59 2 0 5.74 -999 ? O4 SO4 B 10 >MET?B 131 -15.69 2.55 24.79 -14.81 3.88 20.78 -15.25 3.22 22.79 2 0 13.35 -999 ? O5 PG4 B 2 >TRP^B 132 -11.22 2.67 29.46 -13.75 -0.30 29.45 -12.48 1.19 29.45 3 0 12.90 -999 ? O4 SO4 B 10 >PRO^B 133 -8.88 6.06 25.40 -9.51 3.93 25.75 -9.20 5.00 25.58 3 0 14.22 -999 ? C2 PG4 B 6 >SER.B 134 -6.36 2.59 28.33 -6.33 0.17 28.17 -6.34 1.38 28.25 2 0 13.43 -999 ? O1 PG4 A 4 >ASP.B 135 -1.50 2.48 29.10 0.40 3.40 28.74 -0.55 2.94 28.92 2 0 7.22 -999 ? O1 PG4 B 6 >ASP.B 136 -1.99 -1.74 26.57 -0.19 -1.50 27.66 -1.09 -1.62 27.11 2 0 8.69 -999 ? O1 PG4 A 4 >TYR^B 137 -5.73 -3.22 25.77 -4.01 -5.24 26.59 -4.87 -4.23 26.18 3 0 12.76 -999 ? O1 PG4 A 4 >LEU^B 138 -9.49 0.82 21.74 -11.05 2.23 21.15 -10.27 1.52 21.44 3 0 14.16 -999 ? C2 PG4 B 3 >ASN^B 139 -11.60 -1.17 26.82 -9.56 -1.40 27.42 -10.58 -1.28 27.12 2 0 15.91 -999 ? O4 SO4 B 10 >VAL^B 140 -15.25 -1.82 23.89 -15.52 -1.29 21.79 -15.39 -1.55 22.84 3 0 12.30 -999 ? O4 SO4 B 10 >ARG^B 141 -20.17 -4.16 28.83 -22.36 -2.58 30.23 -21.26 -3.37 29.53 2 0 -3.24 -999 ? O1 SO4 B 10s >PHE^B 142 -19.50 -4.86 20.90 -18.21 -7.20 20.10 -18.86 -6.03 20.50 3 0 11.98 -999 ? O1 SO4 B 10 >MET?B 143 -23.95 -5.82 21.58 -25.72 -5.50 24.40 -24.83 -5.66 22.99 2 0 6.08 -999 ? O1 SO4 B 10 >LEU^B 144 -22.20 -9.22 18.91 -21.05 -10.39 20.32 -21.62 -9.81 19.62 3 0 12.95 -999 ? O1 SO4 B 10 >ASN^B 145 -26.19 -10.98 15.79 -26.96 -9.15 15.06 -26.58 -10.06 15.43 2 0 15.19 -999 ? O1 PG4 B 2 >PHE.B 146 -26.77 -16.46 20.04 -26.03 -18.88 21.22 -26.40 -17.67 20.63 3 0 17.31 -999 ? O1 SO4 B 10 >PRO.B 147 -22.46 -16.84 17.88 -24.38 -16.32 16.81 -23.42 -16.58 17.35 3 0 18.58 -999 ? O1 SO4 B 10 >SER.B 148 -26.77 -18.17 13.81 -27.91 -16.04 14.19 -27.34 -17.11 14.00 2 0 20.46 -999 ? O1 PG4 B 2 >PRO.B 149 -24.67 -20.86 10.59 -25.07 -19.44 12.32 -24.87 -20.15 11.46 3 0 22.63 -999 ? O1 PG4 B 2 >LYS.B 151 -19.89 -15.52 14.61 -17.78 -13.87 19.26 -18.83 -14.69 16.94 2 0 17.05 -999 ? O1 SO4 B 10 >PRO.B 152 -22.11 -11.80 15.28 -20.17 -12.40 14.28 -21.14 -12.10 14.78 3 0 16.55 -999 ? O1 PG4 B 2 >ILE^B 153 -15.78 -9.91 12.71 -15.36 -10.45 11.40 -15.57 -10.18 12.06 3 0 14.93 -999 ? O1 PG4 B 2 >LEU^B 154 -16.31 -5.97 16.81 -16.82 -3.87 17.36 -16.56 -4.92 17.09 3 0 14.08 -999 ? O3 PG4 B 2 >ASN^B 155 -12.23 -5.23 12.57 -11.83 -7.30 12.33 -12.03 -6.27 12.45 2 0 14.51 -999 ? O3 PG4 B 2 >LEU^B 156 -9.92 -1.54 16.11 -9.65 0.40 17.07 -9.78 -0.57 16.59 3 0 12.69 -999 ? C2 PG4 B 3 >VAL^B 157 -9.04 -0.59 11.52 -10.82 -1.03 10.33 -9.93 -0.81 10.92 3 0 10.20 -999 ? O3 PG4 B 2 >VAL^B 158 -6.75 1.89 9.90 -4.63 2.34 10.21 -5.69 2.12 10.05 3 0 8.41 -999 ? C2 PG4 B 3 >ASN^B 159 -9.69 4.17 6.85 -10.89 4.25 5.09 -10.29 4.21 5.97 2 0 6.59 -999 ? C4 PG4 B 2 >GLU.B 160 -4.52 1.22 4.97 -3.67 -0.70 4.65 -4.10 0.26 4.81 2 0 -7.90 -999 ? O1 PG4 A 1s >MET?B 161 -8.48 4.57 1.56 -11.47 1.62 0.64 -9.98 3.09 1.10 2 0 8.47 -999 ? C4 PG4 B 2 >ILE.B 162 -9.37 8.49 4.06 -10.33 8.09 5.12 -9.85 8.29 4.59 3 0 7.83 -999 ? C5 PG4 B 2 >PRO.B 163 -7.06 12.13 1.77 -6.26 10.44 3.04 -6.66 11.28 2.40 3 0 10.53 -999 ? O4 PG4 A 1 >TRP.B 164 -0.43 11.41 3.81 -0.19 7.74 5.20 -0.31 9.58 4.51 3 0 -4.27 -999 ? O4 PG4 A 1s >THR.B 165 -4.51 13.98 8.57 -5.77 12.91 9.87 -5.14 13.45 9.22 2 0 9.21 -999 ? C3 PG4 B 3 >ASP.B 167 -5.70 17.11 13.14 -6.52 15.16 13.45 -6.11 16.13 13.29 2 0 10.14 -999 ? C4 PG4 B 3 >GLY.B 168 -2.05 15.24 15.72 -2.74 14.93 15.47 -2.40 15.08 15.60 1 0 7.17 -999 ? C4 PG4 B 3 >TYR^B 169 -6.62 13.77 17.67 -7.43 15.28 19.88 -7.02 14.53 18.77 3 0 11.14 -999 ? C4 PG4 B 3 >ALA^B 170 -4.80 8.94 15.58 -4.54 7.80 16.59 -4.67 8.37 16.09 2 0 6.04 -999 ? C3 PG4 B 3 >HIS^B 171 -7.84 10.43 12.29 -7.96 12.49 12.69 -7.90 11.46 12.49 3 0 9.55 -999 ? C3 PG4 B 3 >LEU^B 172 -8.74 3.78 14.82 -6.68 3.13 15.23 -7.71 3.46 15.02 3 0 9.00 -999 ? C2 PG4 B 3 >GLU^B 173 -12.32 4.30 10.48 -13.21 4.60 8.56 -12.76 4.45 9.52 2 0 4.33 -999 ? C5 PG4 B 2 >LEU^B 174 -15.48 0.49 15.63 -15.25 -0.36 17.58 -15.36 0.07 16.60 3 0 10.83 -999 ? O3 PG4 B 2 >ARG^B 175 -15.66 0.00 9.44 -15.30 1.17 6.56 -15.48 0.59 8.00 2 0 -4.08 -999 ? C4 PG4 B 2s >TYR^B 176 -20.99 -5.17 14.03 -22.64 -7.25 14.95 -21.82 -6.21 14.49 3 0 11.93 -999 ? O1 PG4 B 2 >ASN^B 177 -18.99 -7.84 9.47 -19.84 -8.56 7.62 -19.41 -8.20 8.55 2 0 10.52 -999 ? O1 PG4 B 2 >ASN.B 178 -24.31 -9.32 11.82 -25.44 -9.51 10.00 -24.87 -9.42 10.91 2 0 12.38 -999 ? O1 PG4 B 2 >ASN.B 179 -20.57 -12.98 9.77 -18.60 -12.22 9.44 -19.59 -12.60 9.61 2 0 14.70 -999 ? O1 PG4 B 2 >GLY.B 180 -25.35 -13.16 8.29 -25.13 -12.93 9.01 -25.24 -13.04 8.65 1 0 15.27 -999 ? O1 PG4 B 2 >SER.B 181 -26.37 -13.49 11.98 -24.81 -15.00 12.99 -25.59 -14.25 12.49 2 0 18.35 -999 ? O1 PG4 B 2 >GLN.B 182 -30.36 -11.50 10.32 -31.86 -11.73 8.82 -31.11 -11.61 9.57 2 0 16.79 -999 ? O1 PG4 B 2 >GLY.B 183 -30.00 -13.52 16.17 -29.82 -12.76 16.01 -29.91 -13.14 16.09 1 0 17.86 -999 ? O1 SO4 B 10 >ARG.B 184 -31.35 -13.91 22.59 -29.73 -16.51 22.98 -30.54 -15.21 22.78 2 0 15.66 -999 ? O1 SO4 B 10 >LEU^B 185 -28.63 -7.70 20.67 -28.31 -6.39 18.92 -28.47 -7.05 19.79 3 0 11.32 -999 ? O1 SO4 B 10 >VAL^B 186 -25.99 -10.28 23.46 -25.68 -12.40 23.00 -25.83 -11.34 23.23 3 0 10.63 -999 ? O1 SO4 B 10 >PRO^B 187 -24.34 -9.27 27.24 -23.82 -8.78 25.11 -24.08 -9.02 26.18 3 0 7.16 -999 ? O1 SO4 B 10 >GLY^B 188 -19.62 -8.67 24.31 -19.82 -7.91 24.67 -19.72 -8.29 24.49 1 0 9.90 -999 ? O1 SO4 B 10 >MET?B 189 -16.34 -7.16 25.40 -15.55 -4.62 27.87 -15.94 -5.89 26.63 2 0 10.33 -999 ? O1 SO4 B 10 >VAL^B 190 -13.12 -6.82 23.43 -13.09 -6.36 21.26 -13.10 -6.59 22.34 3 0 15.02 -999 ? O1 SO4 B 10 >SER^B 191 -9.81 -5.11 23.90 -9.58 -5.09 26.32 -9.69 -5.10 25.11 2 0 16.50 -999 ? O1 SO4 B 10 >PHE^B 192 -9.92 -3.47 19.33 -12.38 -4.29 18.38 -11.15 -3.88 18.85 3 0 15.96 -999 ? O3 PG4 B 2 >LYS^B 193 -4.18 -3.50 21.07 -0.55 -4.80 22.70 -2.36 -4.15 21.89 2 0 9.10 -999 ? O1 PG4 A 4 >LEU.B 194 -3.65 1.23 21.17 -5.55 2.31 21.45 -4.60 1.77 21.31 3 0 9.43 -999 ? C2 PG4 A 4 >ASP~B 195 0.53 -1.31 18.40 0.34 -3.36 19.02 0.44 -2.33 18.71 2 0 8.03 -999 ? O1 PG4 A 4 >ASP~B 196 1.99 2.74 16.20 3.75 1.62 15.78 2.87 2.18 15.99 2 0 -3.56 -999 ? O1 PG4 B 3s >TYR~B 197 -2.74 3.86 15.97 -2.27 3.58 13.22 -2.50 3.72 14.60 3 0 -4.01 -999 ? C2 PG4 B 3s >SER~B 198 -1.55 4.25 22.05 0.40 3.32 23.09 -0.58 3.79 22.57 2 0 4.90 -999 ? C2 PG4 A 4 >PRO.B 199 -2.56 6.11 25.86 -1.10 6.47 24.16 -1.83 6.29 25.01 3 0 7.20 -999 ? C2 PG4 B 6 >GLU.B 200 2.68 3.59 26.12 3.78 4.11 27.88 3.23 3.85 27.00 2 0 -4.60 -999 ? O1 PG4 B 6s >ASN.B 201 2.43 7.15 20.13 3.18 8.03 18.35 2.80 7.59 19.24 2 0 -3.57 -999 ? O3 PG4 B 3s >SER.B 202 4.38 10.84 22.55 6.67 11.26 22.05 5.52 11.05 22.30 2 0 -4.63 -999 ? C1 PG4 B 6s >GLU.B 203 5.53 11.95 17.81 6.37 13.51 16.81 5.95 12.73 17.31 2 0 5.93 -999 ? O3 PG4 B 3 >LEU.B 204 -0.90 10.39 19.62 -1.00 9.04 17.92 -0.95 9.72 18.77 3 0 5.26 -999 ? C4 PG4 B 3 >GLY^B 206 -5.44 11.74 21.14 -5.00 11.60 20.46 -5.22 11.67 20.80 1 0 10.13 -999 ? C3 PG4 B 6 >ILE^B 207 -7.22 7.70 19.75 -7.84 6.35 20.23 -7.53 7.02 19.99 3 0 10.41 -999 ? C3 PG4 B 3 >LYS^B 208 -10.54 9.47 17.15 -10.12 15.56 15.29 -10.33 12.52 16.22 2 0 11.12 -999 ? O5 PG4 B 2 >VAL^B 209 -12.71 6.39 16.50 -12.33 4.58 17.79 -12.52 5.48 17.15 3 0 10.76 -999 ? C5 PG4 B 2 >LEU^B 210 -15.17 6.55 12.38 -15.14 8.40 11.20 -15.15 7.48 11.79 3 0 4.73 -999 ? C7 PG4 B 2 >VAL^B 211 -18.48 4.22 14.68 -18.91 3.54 16.72 -18.69 3.88 15.70 3 0 8.67 -999 ? O3 PG4 B 2 >ASN.B 212 -21.65 2.53 11.42 -23.42 2.85 10.24 -22.54 2.69 10.83 2 0 4.89 -999 ? C1 PG4 B 2 >PRO.B 213 -24.28 5.73 15.32 -23.86 3.53 14.96 -24.07 4.63 15.14 3 0 9.69 -999 ? O5 PG4 B 2 >VAL.B 214 -27.63 1.39 15.40 -28.07 0.05 17.14 -27.85 0.72 16.27 3 0 12.37 -999 ? O1 PG4 B 2 >ASP.B 215 -30.92 4.07 17.35 -32.67 2.85 17.24 -31.80 3.46 17.30 2 0 15.17 -999 ? O2 SO4 B 10 >GLY.B 216 -28.24 7.16 14.66 -28.06 6.48 14.17 -28.15 6.82 14.42 1 0 11.30 -999 ? O5 PG4 B 2 >GLU.B 217 -27.38 9.92 11.46 -28.40 8.56 10.13 -27.89 9.24 10.79 2 0 9.80 -999 ? C1 PG4 B 2 >GLU.B 218 -19.59 7.34 10.74 -19.20 5.26 10.77 -19.39 6.30 10.76 2 0 -4.00 -999 ? O3 PG4 B 2s >LYS^B 219 -20.08 9.46 14.61 -20.96 9.66 19.74 -20.52 9.56 17.17 2 0 10.10 -999 ? O5 PG4 B 2 >THR^B 220 -16.65 10.09 16.09 -15.09 11.00 14.91 -15.87 10.55 15.50 2 0 6.07 -999 ? O5 PG4 B 2 >TYR^B 221 -16.90 7.14 20.48 -19.35 5.91 20.99 -18.12 6.52 20.73 3 0 11.57 -999 ? O5 PG4 B 2 >ILE^B 222 -12.93 13.03 20.33 -12.79 14.25 19.49 -12.86 13.64 19.91 3 0 11.85 -999 ? O5 PG4 B 2 >PHE^B 223 -11.33 8.46 23.80 -13.68 6.93 23.76 -12.51 7.70 23.78 3 0 15.40 -999 ? O5 PG4 B 2 >SER^B 224 -7.52 13.22 24.18 -8.17 14.49 26.09 -7.84 13.85 25.13 2 0 11.70 -999 ? C3 PG4 B 6 >TYR.B 225 -3.56 10.01 23.82 -4.32 7.62 22.60 -3.94 8.81 23.21 3 0 8.68 -999 ? C2 PG4 B 6 >PRO.B 226 -2.07 13.70 29.30 -2.85 12.41 27.64 -2.46 13.06 28.47 3 0 6.34 -999 ? C3 PG4 B 6 >LEU.B 227 -5.39 8.03 29.63 -6.02 7.27 27.69 -5.71 7.65 28.66 3 0 10.26 -999 ? C2 PG4 B 6 >THR.B 228 -6.09 10.81 33.37 -7.22 12.56 33.04 -6.65 11.69 33.21 2 0 12.71 -999 ? C3 PG4 B 6 >GLY.B 229 -8.40 7.91 34.21 -8.68 8.58 33.86 -8.54 8.25 34.04 1 0 14.77 -999 ? C2 PG4 B 6 >GLU.B 230 -11.06 12.31 34.67 -10.59 14.35 34.32 -10.83 13.33 34.50 2 0 16.34 -999 ? C3 PG4 B 6 >ASP.B 231 -11.65 7.85 29.33 -10.93 9.64 28.51 -11.29 8.74 28.92 2 0 14.84 -999 ? C3 PG4 B 6 >VAL.B 232 -12.85 4.76 32.49 -11.24 3.57 33.46 -12.05 4.16 32.98 3 0 14.33 -999 ? O4 SO4 B 10 >PRO.B 233 -16.33 2.66 30.89 -15.83 3.83 32.76 -16.08 3.25 31.82 3 0 10.11 -999 ? O4 SO4 B 10 >GLY.B 234 -17.71 2.41 36.40 -18.02 2.24 35.63 -17.86 2.32 36.01 1 0 9.95 -999 ? O3 SO4 B 10 >PHE.B 235 -17.71 -1.74 34.38 -16.92 -0.99 31.83 -17.32 -1.36 33.11 3 0 8.27 -999 ? O3 SO4 B 10 >ASN~B 236 -22.50 -2.82 39.18 -23.92 -2.84 37.60 -23.21 -2.83 38.39 2 0 5.72 -999 ? O3 SO4 B 10 >PRO~B 237 -21.22 -6.67 41.54 -21.35 -6.38 39.31 -21.28 -6.53 40.42 3 0 10.28 -999 ? O3 SO4 B 10 >LEU~B 238 -25.50 -6.38 36.64 -27.62 -6.92 36.54 -26.56 -6.65 36.59 3 0 6.44 -999 ? O3 SO4 B 10 >ASP~B 239 -21.17 -4.80 33.97 -22.33 -3.01 34.13 -21.75 -3.91 34.05 2 0 -3.85 -999 ? O3 SO4 B 10s >LEU~B 240 -18.71 -9.20 35.68 -17.17 -10.74 35.80 -17.94 -9.97 35.74 3 0 11.48 -999 ? O3 SO4 B 10 >ALA~B 241 -22.43 -11.68 34.96 -23.56 -11.62 36.02 -22.99 -11.65 35.49 2 0 10.45 -999 ? O3 SO4 B 10 >GLU~B 242 -25.45 -8.52 31.83 -25.85 -6.64 30.88 -25.65 -7.58 31.36 2 0 -3.60 -999 ? O1 SO4 B 10s >LEU.B 243 -19.51 -10.79 29.84 -18.96 -8.87 28.91 -19.24 -9.83 29.37 3 0 9.20 -999 ? O1 SO4 B 10 >LYS.B 244 -20.56 -15.21 30.97 -17.84 -16.32 36.38 -19.20 -15.77 33.68 2 0 13.02 -999 ? O2 SO4 B 7