REMARK SOURCE hebe.pdb HEADER OXIDOREDUCTASE 30-JUL-07 2QS7 COMPND UNCHARACTERIZED PROTEIN; COMPND 3 CHAIN: A, B, C, D; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: SULFOLOBUS SOLFATARICUS P2; SOURCE 3 ORGANISM_TAXID: 273057; SOURCE 4 STRAIN: P2, DSM 1617, JCM 11322; SOURCE 5 ATCC: 35092; SOURCE 6 GENE: NP_342590.1, SSO1126; SOURCE 7 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 8 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 9 EXPRESSION_SYSTEM_STRAIN: HK100; SOURCE 10 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 11 EXPRESSION_SYSTEM_PLASMID: SPEEDET AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) HET MSE A 22 8 HET MSE A 70 8 HET MSE A 74 8 HET MSE A 75 8 HET MSE A 78 8 HET MSE A 81 8 HET MSE A 85 13 HET MSE A 108 8 HET MSE B 22 8 HET MSE B 70 8 HET MSE B 74 8 HET MSE B 75 8 HET MSE B 78 8 HET MSE B 81 8 HET MSE B 85 13 HET MSE B 108 8 HET MSE C 22 8 HET MSE C 70 8 HET MSE C 74 8 HET MSE C 75 8 HET MSE C 78 8 HET MSE C 81 8 HET MSE C 85 13 HET MSE C 108 8 HET MSE D 22 8 HET MSE D 70 8 HET MSE D 74 8 HET MSE D 75 8 HET MSE D 78 8 HET MSE D 81 8 HET MSE D 85 13 HET MSE D 108 8 HET CL D 144 1 HET CL A 144 1 HET CL D 145 1 HET EPE D 146 15 HET EPE A 145 15 SITE 1 AC1 2 PHE D 142 HOH D 148 SITE 1 AC2 4 PHE A 142 HOH A 146 PHE B 142 PHE C 142 SITE 1 AC3 1 ALA D 129 SITE 1 AC4 5 GLY D 137 GLY D 138 THR D 139 THR D 140 SITE 1 AC5 11 GLY A 137 GLY A 138 THR A 139 THR A 140 >LYS.A 6 -22.55 6.13 -12.91 -26.50 8.70 -17.21 -24.53 7.42 -15.06 2 0 17.07 -999 ? C5 EPE A 145 >LYS.A 7 -24.35 2.90 -12.02 -25.19 4.34 -6.86 -24.77 3.62 -9.44 2 0 11.74 -999 ? O8 EPE A 145 >LYS^A 8 -25.01 0.47 -14.85 -20.09 -0.96 -18.04 -22.55 -0.24 -16.44 2 0 8.24 -999 ? C6 EPE A 145 >LEU^A 9 -28.91 -2.02 -15.21 -30.40 -3.54 -14.72 -29.65 -2.78 -14.96 3 0 8.44 -999 ? O1S EPE A 145 >SER^A 10 -27.14 -4.57 -18.63 -24.88 -3.66 -19.12 -26.01 -4.11 -18.87 2 0 8.69 -999 ? O1S EPE A 145 >ILE^A 11 -31.20 -6.71 -19.36 -32.47 -6.69 -18.59 -31.84 -6.70 -18.98 3 0 8.80 -999 ? CL CL A 144 >ILE^A 12 -28.72 -11.21 -22.14 -27.62 -12.04 -22.66 -28.17 -11.62 -22.40 3 0 8.11 -999 ? CL CL A 144 >VAL^A 13 -33.25 -10.16 -23.25 -34.65 -8.46 -23.33 -33.95 -9.31 -23.29 3 0 10.99 -999 ? CL CL A 144 >PHE.A 14 -32.91 -16.22 -24.10 -33.31 -18.76 -25.05 -33.11 -17.49 -24.58 3 0 11.46 -999 ? CL CL A 144 >SER.A 15 -37.08 -14.45 -23.60 -36.79 -15.47 -21.43 -36.93 -14.96 -22.51 2 0 10.59 -999 ? CL CL A 144 >GLY.A 16 -40.03 -13.36 -25.72 -40.28 -13.76 -25.07 -40.16 -13.56 -25.40 1 0 15.74 -999 ? CL CL A 144 >THR~A 17 -43.10 -14.04 -23.55 -42.77 -15.91 -22.52 -42.93 -14.97 -23.03 2 0 16.13 -999 ? CL CL A 144 >ILE~A 18 -46.56 -10.76 -22.39 -46.84 -10.01 -22.27 -46.70 -10.39 -22.33 3 0 19.70 -999 ? CL CL A 144 >ASP~A 19 -44.93 -13.29 -17.81 -44.26 -15.06 -18.69 -44.59 -14.18 -18.25 2 0 15.97 -999 ? CL CL A 144 >LYS~A 20 -40.69 -11.75 -19.10 -37.57 -17.10 -17.93 -39.13 -14.42 -18.51 2 0 9.88 -999 ? CL CL A 144 >LEU~A 21 -41.46 -8.58 -22.70 -40.67 -9.26 -24.63 -41.07 -8.92 -23.66 3 0 15.93 -999 ? CL CL A 144 >MET?A 22 -42.71 -6.72 -18.65 -45.58 -5.06 -19.31 -44.15 -5.89 -18.98 2 0 19.40 -999 ? CL CL A 144 >PRO~A 23 -40.46 -9.33 -15.92 -40.46 -7.18 -16.50 -40.46 -8.26 -16.21 3 0 12.91 -999 ? CL CL A 144 >VAL~A 24 -37.46 -5.88 -18.82 -36.56 -6.63 -20.66 -37.01 -6.25 -19.74 3 0 12.19 -999 ? CL CL A 144 >GLY~A 25 -39.61 -2.76 -19.24 -39.33 -3.08 -18.55 -39.47 -2.92 -18.89 1 0 16.04 -999 ? CL CL A 144 >ILE~A 26 -40.82 -3.08 -14.54 -41.89 -3.41 -13.72 -41.35 -3.25 -14.13 3 0 16.30 -999 ? CL CL A 144 >LEU~A 27 -35.47 -3.94 -15.06 -34.90 -5.58 -13.81 -35.18 -4.76 -14.44 3 0 10.97 -999 ? CL CL A 144 >THR~A 28 -35.28 -0.43 -17.60 -35.00 -0.71 -19.69 -35.14 -0.57 -18.64 2 0 15.27 -999 ? CL CL A 144 >SER~A 29 -37.74 2.28 -16.63 -39.96 3.28 -16.58 -38.85 2.78 -16.60 2 0 20.16 -999 ? O1S EPE A 145 >GLY~A 30 -36.92 2.15 -12.92 -36.38 2.17 -13.55 -36.65 2.16 -13.24 1 0 16.60 -999 ? O1S EPE A 145 >ALA~A 31 -33.15 2.02 -13.40 -32.37 0.82 -14.04 -32.76 1.42 -13.72 2 0 12.58 -999 ? O1S EPE A 145 >ALA~A 32 -33.13 4.85 -15.97 -33.81 4.83 -17.34 -33.47 4.84 -16.65 2 0 17.32 -999 ? O1S EPE A 145 >ALA~A 33 -35.26 7.02 -13.65 -36.69 6.75 -13.22 -35.97 6.89 -13.44 2 0 19.79 -999 ? O1S EPE A 145 >SER~A 34 -32.76 6.30 -10.88 -32.27 4.90 -8.97 -32.51 5.60 -9.92 2 0 16.02 -999 ? O1S EPE A 145 >GLY.A 35 -29.80 7.53 -12.97 -29.98 6.77 -13.01 -29.89 7.15 -12.99 1 0 16.89 -999 ? C5 EPE A 145 >TYR.A 36 -29.01 2.19 -12.61 -28.81 1.03 -10.05 -28.91 1.61 -11.33 3 0 11.29 -999 ? O1S EPE A 145 >GLU^A 37 -25.10 3.21 -19.35 -23.00 2.86 -19.59 -24.05 3.04 -19.47 2 0 12.50 -999 ? C6 EPE A 145 >VAL^A 38 -29.02 0.75 -19.10 -31.03 0.33 -18.28 -30.03 0.54 -18.69 3 0 12.70 -999 ? O1S EPE A 145 >ASN^A 39 -26.45 -1.95 -22.01 -25.11 -0.41 -21.60 -25.78 -1.18 -21.81 2 0 12.67 -999 ? O1S EPE A 145 >LEU^A 40 -31.81 -3.61 -23.67 -33.23 -3.01 -22.12 -32.52 -3.31 -22.90 3 0 13.82 -999 ? CL CL A 144 >PHE^A 41 -26.75 -6.55 -24.97 -24.69 -4.74 -24.40 -25.72 -5.64 -24.68 3 0 11.09 -999 ? CL CL D 145 >PHE^A 42 -33.94 -6.93 -27.39 -35.37 -5.18 -25.73 -34.65 -6.06 -26.56 3 0 15.34 -999 ? CL CL A 144 >THR~A 43 -31.24 -12.08 -28.63 -29.76 -13.32 -27.61 -30.50 -12.70 -28.12 2 0 13.05 -999 ? CL CL A 144 >PHE~A 44 -31.75 -17.20 -28.98 -29.62 -18.87 -29.75 -30.68 -18.04 -29.36 3 0 15.48 -999 ? CL CL A 144 >TRP~A 45 -36.53 -17.86 -26.77 -37.06 -19.54 -30.28 -36.79 -18.70 -28.52 3 0 16.76 -999 ? CL CL A 144 >GLY~A 46 -36.29 -11.34 -27.41 -36.11 -11.63 -28.19 -36.20 -11.49 -27.80 1 0 14.99 -999 ? CL CL A 144 >LEU~A 47 -33.75 -10.85 -31.47 -32.56 -9.73 -32.81 -33.15 -10.29 -32.14 3 0 15.39 -999 ? CL CL D 145 >GLN~A 48 -39.33 -13.79 -33.13 -37.93 -14.88 -34.27 -38.63 -14.34 -33.70 2 0 21.08 -999 ? CL CL D 145 >ALA~A 49 -40.09 -9.47 -29.99 -39.97 -9.63 -28.47 -40.03 -9.55 -29.23 2 0 18.23 -999 ? CL CL A 144 >ILE~A 50 -37.19 -5.63 -30.69 -35.97 -5.62 -29.99 -36.58 -5.63 -30.34 3 0 19.14 -999 ? CL CL D 145 >THR~A 51 -39.12 -6.90 -34.97 -39.27 -9.04 -35.41 -39.20 -7.97 -35.19 2 0 21.79 -999 ? CL CL D 145 >LYS~A 52 -41.66 -4.45 -36.45 -38.95 -0.22 -40.35 -40.30 -2.34 -38.40 2 0 24.56 -999 ? CL CL D 145 >SER~A 54 -44.02 -8.67 -33.86 -43.33 -9.84 -31.84 -43.68 -9.25 -32.85 2 0 22.83 -999 ? CL CL A 144 >LEU~A 55 -43.63 -4.06 -32.42 -42.05 -3.80 -30.95 -42.84 -3.93 -31.69 3 0 24.14 -999 ? CL CL A 144 >ASN~A 56 -47.19 -3.92 -36.22 -45.94 -2.20 -36.30 -46.57 -3.06 -36.26 2 0 29.36 -999 ? CL CL D 145 >SER~A 57 -49.08 -7.91 -34.54 -49.39 -10.25 -34.18 -49.24 -9.08 -34.36 2 0 28.57 -999 ? CL CL A 144 >PRO.A 60 -54.21 -13.33 -28.59 -52.72 -11.64 -28.86 -53.47 -12.49 -28.72 3 0 28.38 -999 ? CL CL A 144 >PRO.A 61 -50.33 -9.63 -25.02 -49.96 -11.32 -26.51 -50.14 -10.47 -25.76 3 0 24.23 -999 ? CL CL A 144 >GLN.A 62 -45.83 -15.14 -26.74 -44.25 -16.47 -27.42 -45.04 -15.80 -27.08 2 0 20.20 -999 ? CL CL A 144 >ILE.A 63 -48.87 -16.00 -20.52 -48.76 -14.96 -19.34 -48.81 -15.48 -19.93 3 0 20.70 -999 ? CL CL A 144 >ASP~A 64 -44.29 -18.35 -19.23 -43.03 -20.05 -18.93 -43.66 -19.20 -19.08 2 0 16.08 -999 ? CL CL A 144 >LYS~A 65 -47.16 -21.80 -20.71 -47.31 -24.95 -26.18 -47.24 -23.38 -23.44 2 0 24.48 -999 ? CL CL A 144 >ASN~A 66 -44.62 -22.38 -16.58 -43.15 -23.61 -17.42 -43.89 -23.00 -17.00 2 0 17.58 -999 ? CL CL A 144 >TYR~A 67 -46.12 -18.82 -14.78 -43.51 -19.34 -13.84 -44.82 -19.08 -14.31 3 0 16.80 -999 ? CL CL A 144 >GLU~A 68 -50.79 -21.32 -20.45 -51.55 -23.03 -21.49 -51.17 -22.18 -20.97 2 0 25.44 -999 ? CL CL A 144 >MET?A 70 -52.64 -16.84 -14.14 -52.56 -16.85 -10.86 -52.60 -16.85 -12.50 2 0 24.17 -999 ? CL CL A 144 >GLY.A 71 -52.38 -14.94 -17.47 -52.97 -14.90 -16.94 -52.68 -14.92 -17.20 1 0 23.70 -999 ? CL CL A 144 >PRO.A 72 -56.65 -15.49 -17.40 -55.25 -13.73 -17.62 -55.95 -14.61 -17.51 3 0 27.23 -999 ? CL CL A 144 >ILE.A 73 -55.07 -12.69 -12.70 -55.31 -13.06 -11.22 -55.19 -12.88 -11.96 3 0 26.45 -999 ? CL CL A 144 >MET?A 74 -52.36 -10.12 -14.90 -48.30 -10.93 -15.99 -50.33 -10.52 -15.44 2 0 19.66 -999 ? CL CL A 144 >MET?A 75 -53.45 -8.86 -18.34 -50.95 -9.68 -20.12 -52.20 -9.27 -19.23 2 0 23.11 -999 ? CL CL A 144 >MET?A 78 -52.62 -4.05 -16.13 -49.07 -6.08 -16.78 -50.85 -5.07 -16.46 2 0 21.71 -999 ? CL CL A 144 >GLN.A 79 -56.53 -4.84 -19.56 -58.61 -4.61 -19.12 -57.57 -4.72 -19.34 2 0 31.42 -999 ? CL CL A 144 >GLU.A 80 -58.68 -2.10 -13.66 -59.90 -3.56 -12.69 -59.29 -2.83 -13.17 2 0 32.70 -999 ? CL CL A 144 >MET?A 81 -54.34 0.36 -14.35 -51.71 -1.47 -11.52 -53.03 -0.56 -12.94 2 0 26.10 -999 ? CL CL A 144 >LYS.A 82 -53.53 1.50 -17.93 -57.95 5.97 -17.84 -55.74 3.73 -17.89 2 0 35.27 -999 ? CL CL A 144 >TYR.A 83 -48.44 -0.89 -15.75 -46.04 -0.50 -14.38 -47.24 -0.70 -15.07 3 0 22.53 -999 ? CL CL A 144 >PRO.A 84 -46.78 2.68 -18.95 -48.09 0.97 -19.67 -47.44 1.83 -19.31 3 0 24.67 -999 ? CL CL A 144 >MET?A 85 -46.60 -1.87 -22.60 -48.78 -4.44 -23.05 -47.69 -3.16 -22.82 2 0 23.53 -999 ? CL CL A 144 >TRP.A 86 -43.55 -5.73 -24.22 -40.09 -5.28 -25.99 -41.82 -5.51 -25.10 3 0 18.58 -999 ? CL CL A 144 >HIS.A 87 -43.34 -1.79 -27.09 -45.33 -1.55 -27.72 -44.34 -1.67 -27.40 3 0 23.42 -999 ? CL CL A 144 >GLN.A 88 -45.63 1.89 -25.25 -47.71 2.14 -24.93 -46.67 2.02 -25.09 2 0 26.71 -999 ? CL CL A 144 >LEU.A 89 -41.64 0.64 -19.90 -43.12 0.52 -18.28 -42.38 0.58 -19.09 3 0 20.18 -999 ? CL CL A 144 >VAL.A 90 -38.21 1.15 -22.82 -37.11 -0.58 -23.47 -37.66 0.29 -23.14 3 0 18.62 -999 ? CL CL A 144 >GLN.A 91 -39.78 5.36 -27.24 -37.81 5.84 -27.99 -38.80 5.60 -27.61 2 0 25.27 -999 ? CL CL D 145 >ALA.A 93 -36.69 5.33 -20.55 -36.31 3.94 -20.13 -36.50 4.63 -20.34 2 0 19.16 -999 ? O1S EPE A 145 >LYS.A 94 -34.52 6.28 -23.57 -33.07 3.91 -28.88 -33.80 5.09 -26.23 2 0 20.29 -999 ? CL CL D 145 >GLU.A 95 -38.05 9.59 -25.22 -40.20 9.68 -25.46 -39.13 9.63 -25.34 2 0 27.70 -999 ? O1S EPE A 145 >ILE.A 96 -36.52 9.39 -18.74 -37.19 9.83 -18.59 -36.86 9.61 -18.66 3 0 23.12 -999 ? O1S EPE A 145 >GLY.A 97 -32.13 8.56 -19.27 -32.37 8.45 -20.03 -32.25 8.51 -19.65 1 0 20.25 -999 ? O1S EPE A 145 >VAL^A 99 -30.64 3.61 -22.44 -32.61 2.86 -21.79 -31.62 3.23 -22.11 3 0 17.20 -999 ? O1S EPE A 145 >LYS^A 100 -29.11 1.73 -25.37 -27.34 6.20 -25.84 -28.22 3.96 -25.60 2 0 18.99 -999 ? CL CL D 145 >VAL^A 101 -30.86 -1.03 -27.28 -33.04 -1.05 -27.44 -31.95 -1.04 -27.36 3 0 16.85 -999 ? CL CL D 145 >PHE^A 102 -26.61 -2.82 -28.07 -25.08 -0.64 -27.33 -25.85 -1.73 -27.70 3 0 11.63 -999 ? CL CL D 145 >ALA^A 103 -29.80 -6.42 -31.41 -30.56 -6.09 -32.76 -30.18 -6.25 -32.08 2 0 13.16 -999 ? CL CL D 145 >CYH^A 104 -27.84 -9.67 -31.52 -27.40 -12.40 -31.03 -27.62 -11.04 -31.28 2 0 10.13 -999 ? CL CL D 145 >SER~A 105 -26.22 -10.25 -34.90 -23.84 -10.17 -34.52 -25.03 -10.21 -34.71 2 0 6.77 -999 ? CL CL D 145 >THR~A 106 -25.98 -14.07 -34.49 -24.57 -15.36 -33.50 -25.28 -14.72 -33.99 2 0 9.35 -999 ? CL CL D 145 >THR~A 107 -29.67 -14.57 -33.80 -30.99 -14.18 -32.08 -30.33 -14.37 -32.94 2 0 14.10 -999 ? CL CL D 145 >MET?A 108 -30.49 -12.32 -36.76 -29.82 -8.26 -36.14 -30.16 -10.29 -36.45 2 0 12.87 -999 ? CL CL D 145 >PHE~A 110 -29.27 -18.72 -35.30 -26.96 -19.68 -34.02 -28.11 -19.20 -34.66 3 0 14.69 -999 ? CL CL D 145 >PHE~A 111 -34.68 -16.61 -35.56 -34.77 -18.40 -33.40 -34.73 -17.51 -34.48 3 0 19.07 -999 ? CL CL D 145 >GLY.A 112 -33.24 -14.40 -41.22 -33.47 -14.08 -40.51 -33.36 -14.24 -40.86 1 0 18.91 -999 ? CL CL D 145 >ILE.A 113 -34.13 -10.81 -38.17 -34.88 -10.63 -36.99 -34.51 -10.72 -37.58 3 0 17.80 -999 ? CL CL D 145 >ARG~A 115 -31.11 -2.30 -37.54 -29.82 0.26 -36.40 -30.47 -1.02 -36.97 2 0 16.01 -999 ? CL CL D 145 >ASP~A 117 -36.85 -7.00 -40.01 -36.64 -7.71 -42.00 -36.74 -7.36 -41.01 2 0 21.56 -999 ? CL CL D 145 >LEU~A 118 -34.65 -4.14 -35.99 -33.56 -5.91 -35.33 -34.11 -5.03 -35.66 3 0 17.29 -999 ? CL CL D 145 >ALA.A 119 -37.92 -1.47 -34.45 -38.43 -1.63 -33.02 -38.18 -1.55 -33.74 2 0 22.00 -999 ? CL CL D 145 >GLU.A 120 -38.38 3.21 -36.38 -37.30 3.13 -38.22 -37.84 3.17 -37.30 2 0 23.98 -999 ? CL CL D 145 >PHE.A 121 -36.80 0.91 -29.53 -37.53 -1.54 -28.41 -37.16 -0.32 -28.97 3 0 21.34 -999 ? CL CL A 144 >VAL.A 122 -32.69 -0.27 -31.86 -32.58 -2.33 -32.56 -32.63 -1.30 -32.21 3 0 16.79 -999 ? CL CL D 145 >ASP.A 123 -28.83 2.05 -30.31 -30.24 3.22 -29.26 -29.54 2.64 -29.79 2 0 17.71 -999 ? CL CL D 145 >ASP^A 124 -25.70 -0.61 -32.58 -24.16 -0.75 -34.05 -24.93 -0.68 -33.32 2 0 10.83 -999 ? CL CL D 145 >VAL^A 125 -26.56 -4.60 -34.18 -27.41 -5.73 -35.87 -26.99 -5.17 -35.02 3 0 10.58 -999 ? CL CL D 145 >VAL^A 126 -23.68 -6.19 -32.32 -23.90 -4.81 -30.61 -23.79 -5.50 -31.47 3 0 7.02 -999 ? CL CL D 145 >GLY~A 127 -22.15 -9.44 -31.24 -22.16 -8.78 -30.72 -22.15 -9.11 -30.98 1 0 4.35 -999 ? CL CL D 145 >VAL~A 128 -21.50 -11.04 -27.85 -21.25 -13.10 -27.02 -21.37 -12.07 -27.43 3 0 6.20 -999 ? CL CL D 145 >ALA~A 129 -18.16 -9.62 -27.03 -16.85 -9.69 -27.84 -17.51 -9.66 -27.44 2 0 3.92 -999 ? CL CL D 145 >THR~A 130 -19.52 -6.17 -27.61 -19.84 -5.13 -29.46 -19.68 -5.65 -28.53 2 0 5.01 -999 ? CL CL D 145 >PHE~A 131 -23.22 -9.05 -23.48 -23.57 -10.09 -20.88 -23.39 -9.57 -22.18 3 0 8.85 -999 ? O3S EPE A 145 >LEU~A 132 -18.72 -9.37 -22.79 -19.00 -11.51 -23.05 -18.86 -10.44 -22.92 3 0 8.84 -999 ? CL CL D 145 >ASP~A 133 -17.09 -4.66 -24.23 -15.31 -5.59 -24.94 -16.20 -5.13 -24.59 2 0 7.97 -999 ? CL CL D 145 >ARG~A 134 -22.90 -0.99 -24.49 -22.42 1.94 -25.28 -22.66 0.48 -24.89 2 0 13.60 -999 ? CL CL D 145 >ALA~A 135 -21.74 -4.83 -19.35 -22.31 -6.22 -19.41 -22.02 -5.53 -19.38 2 0 7.09 -999 ? O3S EPE A 145 >GLU~A 136 -15.87 -5.54 -17.59 -14.02 -5.13 -18.66 -14.94 -5.34 -18.12 2 0 8.92 -999 ? C6 EPE A 145 >GLY.A 137 -18.38 -3.49 -14.19 -19.07 -3.76 -14.47 -18.72 -3.62 -14.33 1 0 -3.78 -999 ? C6 EPE A 145s >GLY.A 138 -22.16 -3.16 -13.75 -21.88 -3.96 -13.83 -22.02 -3.56 -13.79 1 0 -4.55 -999 ? C6 EPE A 145s >THR^A 139 -25.04 -5.41 -12.78 -26.45 -5.29 -11.22 -25.75 -5.35 -12.00 2 0 -4.08 -999 ? O1S EPE A 145s >THR^A 140 -25.84 -7.90 -15.56 -24.35 -8.12 -17.13 -25.09 -8.01 -16.34 2 0 -4.46 -999 ? O3S EPE A 145s >LEU^A 141 -30.22 -9.46 -15.48 -30.65 -8.68 -13.50 -30.43 -9.07 -14.49 3 0 4.92 -999 ? CL CL A 144 >PHE^A 142 -29.58 -14.91 -19.71 -30.17 -16.40 -21.97 -29.87 -15.65 -20.84 3 0 -6.60 -999 ? CL CL A 144s >ILE^A 143 -34.51 -11.38 -18.62 -35.33 -10.48 -17.73 -34.92 -10.93 -18.17 3 0 7.55 -999 ? CL CL A 144 >LYS.B 6 -8.35 -10.46 -16.14 -6.77 -16.05 -18.84 -7.56 -13.26 -17.49 2 0 15.05 -999 ? O8 EPE D 146 >LYS^B 8 -14.20 -13.24 -16.16 -13.35 -14.38 -10.44 -13.78 -13.81 -13.30 2 0 8.74 -999 ? C3 EPE A 145 >LEU^B 9 -17.89 -14.84 -18.61 -19.87 -14.81 -19.52 -18.88 -14.83 -19.07 3 0 8.47 -999 ? O3S EPE A 145 >SER^B 10 -19.33 -17.30 -14.97 -17.73 -16.83 -13.18 -18.53 -17.06 -14.07 2 0 8.49 -999 ? O2S EPE A 145 >ILE^B 11 -22.77 -19.32 -17.45 -23.25 -19.01 -18.79 -23.01 -19.16 -18.12 3 0 8.73 -999 ? CL CL A 144 >ILE^B 12 -25.66 -20.77 -12.62 -25.96 -20.76 -11.26 -25.81 -20.76 -11.94 3 0 8.11 -999 ? CL CL A 144 >VAL^B 13 -26.29 -23.43 -16.65 -25.20 -24.08 -18.40 -25.74 -23.75 -17.52 3 0 10.89 -999 ? CL CL A 144 >PHE.B 14 -31.72 -23.92 -13.87 -34.17 -24.82 -13.03 -32.94 -24.37 -13.45 3 0 11.43 -999 ? CL CL A 144 >SER.B 15 -31.66 -24.94 -18.24 -32.80 -22.80 -18.34 -32.23 -23.87 -18.29 2 0 10.55 -999 ? CL CL A 144 >GLY.B 16 -31.54 -27.94 -20.51 -32.04 -27.41 -20.81 -31.79 -27.68 -20.66 1 0 15.61 -999 ? CL CL A 144 >THR~B 17 -33.39 -26.92 -23.67 -35.17 -25.75 -23.14 -34.28 -26.34 -23.41 2 0 16.02 -999 ? CL CL A 144 >ILE~B 18 -31.64 -27.17 -28.19 -31.07 -27.11 -28.75 -31.35 -27.14 -28.47 3 0 19.44 -999 ? CL CL A 144 >ASP~B 19 -33.88 -22.19 -27.39 -35.22 -22.73 -25.88 -34.55 -22.46 -26.63 2 0 15.75 -999 ? CL CL A 144 >LYS~B 20 -30.77 -22.05 -23.86 -34.88 -19.76 -19.80 -32.82 -20.90 -21.83 2 0 9.95 -999 ? CL CL A 144 >LEU~B 21 -27.81 -25.81 -24.53 -27.97 -27.13 -22.81 -27.89 -26.47 -23.67 3 0 15.66 -999 ? CL CL A 144 >MET?B 22 -26.86 -22.53 -27.62 -26.36 -24.45 -30.31 -26.61 -23.49 -28.97 2 0 17.55 -999 ? CL CL D 145 >PRO~B 23 -28.72 -19.08 -25.58 -26.67 -19.74 -26.17 -27.69 -19.41 -25.88 3 0 12.67 -999 ? CL CL A 144 >VAL~B 24 -24.18 -20.87 -23.30 -24.55 -22.20 -21.56 -24.37 -21.54 -22.43 3 0 11.93 -999 ? CL CL A 144 >GLY~B 25 -21.98 -22.22 -26.09 -22.26 -21.44 -25.98 -22.12 -21.83 -26.04 1 0 14.76 -999 ? CL CL D 145 >ILE~B 26 -23.17 -18.17 -28.59 -24.01 -17.77 -29.60 -23.59 -17.97 -29.09 3 0 10.81 -999 ? CL CL D 145 >LEU~B 27 -21.99 -16.73 -23.59 -23.43 -15.19 -23.20 -22.71 -15.96 -23.39 3 0 10.97 -999 ? CL CL A 144 >THR~B 28 -18.46 -19.33 -23.79 -18.52 -21.15 -22.62 -18.49 -20.24 -23.20 2 0 14.99 -999 ? CL CL D 145 >SER~B 29 -16.84 -19.42 -27.17 -16.59 -20.00 -29.46 -16.71 -19.71 -28.32 2 0 11.10 -999 ? CL CL D 145 >GLY~B 30 -16.89 -15.62 -27.66 -16.65 -16.05 -26.98 -16.77 -15.84 -27.32 1 0 7.61 -999 ? CL CL D 145 >ALA~B 31 -15.67 -14.91 -24.16 -16.39 -15.23 -22.83 -16.03 -15.07 -23.50 2 0 10.75 -999 ? CL CL D 145 >ALA~B 32 -12.85 -17.44 -24.50 -12.99 -18.93 -24.73 -12.92 -18.19 -24.61 2 0 12.87 -999 ? CL CL D 145 >ALA~B 33 -11.81 -16.00 -27.86 -12.67 -15.95 -29.14 -12.24 -15.97 -28.50 2 0 8.85 -999 ? CL CL D 145 >SER~B 34 -11.81 -12.54 -26.23 -13.84 -11.31 -26.72 -12.82 -11.93 -26.47 2 0 6.65 -999 ? CL CL D 145 >GLY.B 35 -9.37 -13.72 -23.55 -10.13 -13.72 -23.39 -9.75 -13.72 -23.47 1 0 12.52 -999 ? CL CL D 145 >TYR.B 36 -14.03 -12.72 -20.86 -15.21 -10.11 -20.77 -14.62 -11.41 -20.82 3 0 11.13 -999 ? O3S EPE A 145 >GLU^B 37 -11.58 -17.61 -15.54 -10.83 -17.36 -13.54 -11.21 -17.48 -14.54 2 0 13.18 -999 ? C3 EPE A 145 >VAL^B 38 -14.97 -18.66 -18.27 -16.09 -18.62 -20.15 -15.53 -18.64 -19.21 3 0 12.75 -999 ? O3S EPE A 145 >ASN^B 39 -16.43 -20.24 -14.07 -14.54 -19.54 -13.47 -15.48 -19.89 -13.77 2 0 12.62 -999 ? O2S EPE A 145 >LEU^B 40 -19.66 -23.64 -17.58 -19.76 -22.70 -19.50 -19.71 -23.17 -18.54 3 0 13.73 -999 ? CL CL A 144 >PHE^B 41 -20.51 -22.94 -11.78 -18.21 -21.64 -10.88 -19.36 -22.29 -11.33 3 0 12.26 -999 ? O2S EPE A 145 >PHE^B 42 -23.10 -27.75 -17.00 -22.30 -26.80 -19.51 -22.70 -27.27 -18.25 3 0 15.32 -999 ? CL CL A 144 >THR~B 43 -26.93 -27.71 -12.36 -27.70 -26.13 -11.10 -27.31 -26.92 -11.73 2 0 12.93 -999 ? CL CL A 144 >PHE~B 44 -31.86 -28.13 -10.78 -32.58 -28.09 -8.11 -32.22 -28.11 -9.44 3 0 15.63 -999 ? CL CL A 144 >TRP~B 45 -34.37 -27.58 -15.49 -35.93 -30.94 -14.23 -35.15 -29.26 -14.86 3 0 16.74 -999 ? CL CL A 144 >GLY~B 46 -28.15 -28.34 -17.39 -28.30 -29.00 -16.89 -28.22 -28.67 -17.14 1 0 14.88 -999 ? CL CL A 144 >LEU~B 47 -26.38 -31.30 -14.00 -24.92 -32.34 -12.83 -25.65 -31.82 -13.41 3 0 18.40 -999 ? CL CL A 144 >GLN~B 48 -30.94 -34.83 -17.34 -30.84 -36.26 -15.73 -30.89 -35.55 -16.53 2 0 22.63 -999 ? CL CL A 144 >ALA~B 49 -27.56 -32.18 -20.49 -27.81 -30.73 -20.89 -27.68 -31.45 -20.69 2 0 18.15 -999 ? CL CL A 144 >ILE~B 50 -22.88 -31.96 -19.13 -22.51 -30.92 -18.31 -22.69 -31.44 -18.72 3 0 19.20 -999 ? CL CL A 144 >THR~B 51 -24.39 -36.62 -18.92 -26.35 -36.97 -18.08 -25.37 -36.79 -18.50 2 0 23.62 -999 ? CL CL A 144 >LYS~B 52 -22.88 -38.98 -21.49 -17.51 -41.75 -19.48 -20.19 -40.36 -20.49 2 0 30.62 -999 ? CL CL A 144 >ARG~B 53 -27.69 -43.43 -19.78 -28.54 -45.56 -21.87 -28.11 -44.50 -20.82 2 0 32.64 -999 ? CL CL A 144 >SER~B 54 -27.89 -37.22 -22.85 -28.75 -34.99 -22.56 -28.32 -36.11 -22.70 2 0 22.69 -999 ? CL CL A 144 >LEU~B 55 -23.58 -35.89 -24.69 -22.78 -33.99 -23.96 -23.18 -34.94 -24.32 3 0 24.01 -999 ? CL CL A 144 >ASN~B 56 -24.41 -40.76 -26.59 -22.33 -40.56 -26.21 -23.37 -40.66 -26.40 2 0 29.95 -999 ? CL CL A 144 >SER~B 57 -28.93 -39.57 -27.29 -31.24 -38.94 -26.86 -30.08 -39.26 -27.07 2 0 28.12 -999 ? CL CL A 144 >PRO.B 60 -36.28 -35.49 -31.76 -34.15 -35.38 -31.03 -35.22 -35.43 -31.39 3 0 28.15 -999 ? CL CL A 144 >PRO.B 61 -31.90 -30.96 -31.02 -33.08 -32.21 -29.56 -32.49 -31.58 -30.29 3 0 24.03 -999 ? CL CL A 144 >ILE.B 63 -37.42 -26.05 -29.02 -36.97 -24.49 -29.39 -37.19 -25.27 -29.20 3 0 20.37 -999 ? CL CL A 144 >ASP~B 64 -38.28 -23.12 -24.63 -39.40 -22.34 -22.99 -38.84 -22.73 -23.81 2 0 15.96 -999 ? CL CL A 144 >LYS~B 65 -42.33 -25.36 -25.32 -44.51 -30.98 -23.14 -43.42 -28.17 -24.23 2 0 24.78 -999 ? CL CL A 144 >ASN~B 66 -42.50 -20.61 -24.23 -43.28 -20.90 -22.30 -42.89 -20.76 -23.26 2 0 17.83 -999 ? CL CL A 144 >TYR~B 67 -39.97 -19.52 -27.45 -39.78 -17.75 -25.28 -39.87 -18.64 -26.36 3 0 16.82 -999 ? CL CL A 144 >GLU~B 68 -43.15 -26.37 -28.72 -44.86 -27.57 -28.33 -44.00 -26.97 -28.52 2 0 25.19 -999 ? CL CL A 144 >MET?B 70 -40.20 -21.36 -34.10 -40.65 -18.51 -35.23 -40.43 -19.94 -34.67 2 0 24.22 -999 ? CL CL A 144 >GLY.B 71 -38.06 -24.44 -33.46 -38.29 -24.16 -34.16 -38.18 -24.30 -33.81 1 0 23.54 -999 ? CL CL A 144 >PRO.B 72 -40.09 -25.99 -36.97 -37.96 -25.66 -36.32 -39.02 -25.83 -36.65 3 0 27.11 -999 ? CL CL A 144 >ILE.B 73 -37.30 -21.09 -38.13 -37.88 -19.81 -38.58 -37.59 -20.45 -38.36 3 0 23.75 -999 ? CL CL D 145 >MET?B 74 -33.80 -22.33 -36.01 -32.94 -22.13 -31.85 -33.37 -22.23 -33.93 2 0 19.60 -999 ? CL CL A 144 >MET?B 75 -32.72 -25.98 -36.33 -32.53 -26.98 -33.28 -32.62 -26.48 -34.80 2 0 23.15 -999 ? CL CL D 145 >GLN.B 76 -34.34 -26.19 -42.31 -33.37 -25.21 -43.95 -33.85 -25.70 -43.13 2 0 25.52 -999 ? CL CL D 145 >LYS.B 77 -30.90 -22.61 -40.36 -33.33 -17.81 -43.14 -32.11 -20.21 -41.75 2 0 21.17 -999 ? CL CL D 145 >MET?B 78 -28.15 -23.85 -38.02 -28.45 -23.65 -33.72 -28.30 -23.75 -35.87 2 0 18.08 -999 ? CL CL D 145 >GLN.B 79 -29.81 -28.14 -40.65 -30.64 -29.88 -41.55 -30.23 -29.01 -41.10 2 0 26.31 -999 ? CL CL D 145 >GLU.B 80 -28.75 -23.57 -44.78 -30.57 -22.57 -45.34 -29.66 -23.07 -45.06 2 0 23.04 -999 ? CL CL D 145 >MET?B 81 -24.81 -22.95 -41.69 -26.24 -19.62 -39.27 -25.53 -21.28 -40.48 2 0 15.45 -999 ? CL CL D 145 >LYS.B 82 -23.14 -26.08 -40.21 -21.49 -29.23 -44.46 -22.31 -27.65 -42.34 2 0 24.10 -999 ? CL CL D 145 >TYR.B 83 -23.78 -22.19 -35.58 -22.78 -20.09 -34.07 -23.28 -21.14 -34.82 3 0 13.54 -999 ? CL CL D 145 >PRO.B 84 -19.63 -24.66 -34.32 -21.58 -25.76 -34.68 -20.60 -25.21 -34.50 3 0 16.53 -999 ? CL CL D 145 >MET?B 85 -23.44 -27.91 -31.42 -24.49 -32.06 -32.05 -23.97 -29.98 -31.74 2 0 23.84 -999 ? CL CL D 145 >TRP.B 86 -25.97 -28.07 -26.84 -24.08 -28.69 -23.47 -25.02 -28.38 -25.16 3 0 18.46 -999 ? CL CL A 144 >HIS.B 87 -22.02 -31.00 -27.17 -22.59 -32.25 -28.75 -22.31 -31.62 -27.96 3 0 23.18 -999 ? CL CL D 145 >GLN.B 88 -19.43 -30.24 -31.08 -20.08 -30.64 -33.11 -19.76 -30.44 -32.09 2 0 21.63 -999 ? CL CL D 145 >LEU.B 89 -19.69 -23.85 -28.81 -20.50 -22.87 -30.58 -20.10 -23.36 -29.70 3 0 14.49 -999 ? CL CL D 145 >VAL.B 90 -17.68 -25.38 -25.13 -18.83 -25.68 -23.29 -18.26 -25.53 -24.21 3 0 17.95 -999 ? CL CL D 145 >GLN.B 91 -13.95 -30.27 -26.51 -12.69 -30.40 -24.76 -13.32 -30.34 -25.64 2 0 22.88 -999 ? CL CL D 145 >GLN.B 92 -14.29 -26.44 -30.92 -15.44 -25.87 -32.67 -14.86 -26.16 -31.80 2 0 16.90 -999 ? CL CL D 145 >ALA.B 93 -13.41 -22.89 -26.14 -14.63 -22.36 -25.43 -14.02 -22.63 -25.79 2 0 14.90 -999 ? CL CL D 145 >LYS.B 94 -11.45 -24.99 -23.62 -12.58 -29.27 -19.62 -12.02 -27.13 -21.62 2 0 22.75 -999 ? O3S EPE A 145 >ILE.B 96 -9.67 -21.11 -28.00 -9.75 -21.26 -28.88 -9.71 -21.19 -28.44 3 0 14.83 -999 ? CL CL D 145 >GLY.B 97 -8.95 -20.22 -23.77 -9.06 -21.01 -23.69 -9.01 -20.61 -23.73 1 0 16.18 -999 ? CL CL D 145 >GLU^B 98 -8.65 -20.03 -17.66 -7.39 -18.77 -16.45 -8.02 -19.40 -17.05 2 0 17.25 -999 ? C3 EPE A 145 >VAL^B 99 -12.64 -22.44 -19.60 -14.08 -22.36 -21.24 -13.36 -22.40 -20.42 3 0 17.15 -999 ? O3S EPE A 145 >LYS^B 100 -13.57 -24.59 -16.58 -9.34 -25.78 -16.57 -11.45 -25.18 -16.58 2 0 21.03 -999 ? O3S EPE A 145 >VAL^B 101 -16.64 -26.81 -16.50 -17.48 -27.69 -18.27 -17.06 -27.25 -17.38 3 0 18.17 -999 ? CL CL A 144 >PHE^B 102 -16.80 -25.90 -11.93 -14.40 -24.56 -11.65 -15.60 -25.23 -11.79 3 0 16.45 -999 ? O2S EPE A 145 >ALA^B 103 -20.91 -30.03 -12.22 -20.78 -31.51 -12.52 -20.85 -30.77 -12.37 2 0 19.64 -999 ? CL CL A 144 >CYH^B 104 -23.20 -29.24 -9.27 -25.51 -28.44 -7.91 -24.35 -28.84 -8.59 2 0 16.50 -999 ? CL CL A 144 >SER~B 105 -22.88 -31.86 -6.52 -22.00 -30.65 -4.58 -22.44 -31.25 -5.55 2 0 20.82 -999 ? CL CL A 144 >THR~B 106 -26.38 -31.28 -5.06 -27.22 -29.75 -3.79 -26.80 -30.51 -4.43 2 0 19.39 -999 ? CL CL A 144 >THR~B 107 -28.22 -31.86 -8.33 -28.56 -30.63 -10.08 -28.39 -31.25 -9.20 2 0 17.49 -999 ? CL CL A 144 >MET?B 108 -26.15 -35.01 -8.82 -22.13 -34.43 -9.91 -24.14 -34.72 -9.37 2 0 22.26 -999 ? CL CL A 144 >GLU~B 109 -26.03 -35.79 -3.78 -25.87 -35.00 -1.85 -25.95 -35.40 -2.81 2 0 24.97 -999 ? CL CL A 144 >PHE~B 110 -31.84 -33.04 -5.84 -32.10 -31.15 -3.77 -31.97 -32.09 -4.81 3 0 21.03 -999 ? CL CL A 144 >PHE~B 111 -31.67 -35.16 -11.51 -33.33 -32.92 -11.92 -32.50 -34.04 -11.71 3 0 20.82 -999 ? CL CL A 144 >GLY.B 112 -28.71 -40.06 -8.90 -28.57 -39.50 -9.48 -28.64 -39.78 -9.19 1 0 26.93 -999 ? CL CL A 144 >ILE.B 113 -25.95 -37.65 -12.03 -26.14 -36.83 -13.24 -26.05 -37.24 -12.64 3 0 23.75 -999 ? CL CL A 144 >ARG~B 115 -16.80 -36.45 -11.95 -14.21 -34.82 -12.59 -15.50 -35.64 -12.27 2 0 25.76 -999 ? CL CL A 144 >GLU~B 116 -19.55 -43.74 -13.26 -19.51 -43.52 -11.15 -19.53 -43.63 -12.20 2 0 31.41 -999 ? CL CL A 144 >ASP~B 117 -23.26 -40.57 -15.19 -23.67 -42.33 -14.04 -23.47 -41.45 -14.62 2 0 29.07 -999 ? CL CL A 144 >LEU~B 118 -20.21 -36.15 -15.71 -21.61 -35.25 -14.31 -20.91 -35.70 -15.01 3 0 23.36 -999 ? CL CL A 144 >ALA.B 119 -18.95 -35.91 -19.98 -19.38 -34.68 -20.76 -19.16 -35.30 -20.37 2 0 23.81 -999 ? CL CL A 144 >GLU.B 120 -14.59 -38.14 -21.57 -14.06 -39.61 -20.16 -14.32 -38.88 -20.86 2 0 30.33 -999 ? CL CL A 144 >PHE.B 121 -16.81 -31.27 -21.69 -19.52 -30.71 -22.08 -18.16 -30.99 -21.89 3 0 21.57 -999 ? CL CL A 144 >VAL.B 122 -16.21 -31.81 -16.78 -18.01 -32.26 -15.68 -17.11 -32.03 -16.23 3 0 21.81 -999 ? CL CL A 144 >ASP.B 123 -12.80 -29.05 -14.92 -12.27 -28.60 -16.96 -12.54 -28.83 -15.94 2 0 21.73 -999 ? O3S EPE A 145 >ASP^B 124 -13.87 -29.88 -10.42 -13.21 -30.56 -8.48 -13.54 -30.22 -9.45 2 0 22.45 -999 ? O2S EPE A 145 >VAL^B 125 -17.78 -31.54 -9.14 -18.85 -33.45 -8.90 -18.32 -32.49 -9.02 3 0 22.24 -999 ? CL CL A 144 >VAL^B 126 -18.42 -28.70 -6.68 -17.28 -27.14 -7.75 -17.85 -27.92 -7.22 3 0 18.52 -999 ? O2S EPE A 145 >GLY~B 127 -20.92 -27.02 -4.44 -20.40 -26.58 -4.91 -20.66 -26.80 -4.67 1 0 17.87 -999 ? O2S EPE A 145 >VAL~B 128 -22.58 -23.62 -4.60 -24.54 -22.76 -3.92 -23.56 -23.19 -4.26 3 0 14.35 -999 ? O2S EPE A 145 >ALA~B 129 -20.16 -21.74 -2.40 -19.83 -22.10 -0.98 -20.00 -21.92 -1.69 2 0 15.74 -999 ? O2S EPE A 145 >THR~B 130 -17.23 -22.87 -4.50 -16.07 -24.66 -4.52 -16.65 -23.77 -4.51 2 0 17.10 -999 ? O2S EPE A 145 >PHE~B 131 -21.30 -20.61 -8.44 -22.83 -18.44 -9.26 -22.06 -19.53 -8.85 3 0 9.25 -999 ? O2S EPE A 145 >LEU~B 132 -20.43 -18.00 -4.54 -22.59 -18.03 -4.29 -21.51 -18.02 -4.42 3 0 10.18 -999 ? O2S EPE A 145 >ASP~B 133 -15.34 -18.69 -3.95 -16.08 -18.61 -1.88 -15.71 -18.65 -2.91 2 0 13.85 -999 ? C2 EPE A 145 >ARG~B 134 -13.78 -21.83 -9.74 -11.11 -21.61 -11.28 -12.45 -21.72 -10.51 2 0 16.21 -999 ? C3 EPE A 145 >ALA~B 135 -17.57 -16.05 -9.94 -19.08 -16.31 -9.93 -18.32 -16.18 -9.93 2 0 7.14 -999 ? O2S EPE A 145 >GLU~B 136 -15.76 -12.24 -5.41 -17.52 -11.44 -4.57 -16.64 -11.84 -4.99 2 0 6.67 -999 ? C2 EPE A 145 >GLY.B 137 -15.65 -10.07 -9.36 -16.12 -10.54 -9.75 -15.89 -10.31 -9.56 1 0 3.85 -999 ? C3 EPE A 145 >GLY.B 138 -16.71 -10.99 -12.90 -17.35 -10.95 -12.33 -17.03 -10.97 -12.61 1 0 -5.11 -999 ? C9 EPE A 145s >THR^B 139 -19.88 -11.02 -14.94 -20.47 -10.13 -16.77 -20.18 -10.57 -15.85 2 0 -4.10 -999 ? O3S EPE A 145s >THR^B 140 -22.29 -13.72 -13.75 -21.71 -14.67 -11.88 -22.00 -14.19 -12.81 2 0 -4.33 -999 ? O2S EPE A 145s >LEU^B 141 -25.33 -15.17 -16.97 -24.98 -13.60 -18.39 -25.15 -14.39 -17.68 3 0 4.88 -999 ? CL CL A 144 >PHE^B 142 -29.74 -18.65 -12.94 -31.21 -20.92 -12.11 -30.47 -19.78 -12.53 3 0 -6.58 -999 ? CL CL A 144s >ILE^B 143 -28.38 -19.51 -18.91 -27.84 -19.02 -20.24 -28.11 -19.27 -19.58 3 0 7.48 -999 ? CL CL A 144 >LYS^C 8 -22.71 -10.41 -1.55 -23.88 -4.70 -2.31 -23.29 -7.55 -1.93 2 0 8.33 -999 ? O8 EPE A 145 >LEU^C 9 -25.39 -13.82 -3.34 -26.17 -15.36 -4.67 -25.78 -14.59 -4.00 3 0 8.62 -999 ? O2S EPE A 145 >SER^C 10 -28.52 -10.74 -4.79 -27.70 -8.57 -4.05 -28.11 -9.66 -4.42 2 0 8.67 -999 ? O1S EPE A 145 >ILE^C 11 -31.49 -14.15 -6.21 -31.30 -15.62 -6.31 -31.39 -14.88 -6.26 3 0 8.79 -999 ? CL CL A 144 >ILE^C 12 -34.32 -10.48 -9.72 -34.56 -9.24 -10.37 -34.44 -9.86 -10.05 3 0 8.17 -999 ? CL CL A 144 >VAL^C 13 -36.71 -14.33 -7.96 -36.66 -15.56 -6.17 -36.68 -14.95 -7.07 3 0 10.91 -999 ? CL CL A 144 >PHE.C 14 -39.56 -13.55 -13.39 -41.43 -13.65 -15.42 -40.50 -13.60 -14.40 3 0 11.62 -999 ? CL CL A 144 >SER.C 15 -39.97 -17.62 -11.45 -38.45 -18.08 -13.19 -39.21 -17.85 -12.32 2 0 10.60 -999 ? CL CL A 144 >GLY.C 16 -42.53 -19.56 -9.41 -42.18 -20.02 -9.95 -42.35 -19.79 -9.68 1 0 15.72 -999 ? CL CL A 144 >THR~C 17 -41.99 -23.21 -10.39 -41.60 -23.28 -12.50 -41.79 -23.24 -11.44 2 0 16.03 -999 ? CL CL A 144 >ILE~C 18 -41.13 -26.89 -7.35 -40.77 -27.23 -6.73 -40.95 -27.06 -7.04 3 0 19.50 -999 ? CL CL A 144 >ASP~C 19 -37.52 -27.12 -11.44 -38.53 -25.96 -12.88 -38.03 -26.54 -12.16 2 0 15.67 -999 ? CL CL A 144 >LYS~C 20 -36.48 -22.77 -10.00 -36.43 -20.15 -15.71 -36.46 -21.46 -12.85 2 0 9.96 -999 ? CL CL A 144 >LEU~C 21 -38.72 -22.10 -5.76 -40.28 -20.62 -6.02 -39.50 -21.36 -5.89 3 0 15.71 -999 ? CL CL A 144 >MET?C 22 -35.08 -24.95 -5.20 -36.17 -27.35 -3.16 -35.62 -26.15 -4.18 2 0 19.22 -999 ? CL CL A 144 >PRO~C 23 -32.76 -23.84 -8.81 -32.56 -23.65 -6.59 -32.66 -23.75 -7.70 3 0 12.73 -999 ? CL CL A 144 >VAL~C 24 -32.93 -20.07 -4.90 -34.41 -18.49 -5.13 -33.67 -19.28 -5.02 3 0 12.06 -999 ? CL CL A 144 >GLY~C 25 -33.04 -21.93 -1.59 -32.46 -21.96 -2.16 -32.75 -21.94 -1.87 1 0 15.93 -999 ? CL CL A 144 >ILE~C 26 -29.59 -24.87 -3.38 -29.36 -26.23 -3.84 -29.48 -25.55 -3.61 3 0 16.14 -999 ? CL CL A 144 >LEU~C 27 -28.26 -19.77 -4.57 -27.49 -19.79 -6.61 -27.88 -19.78 -5.59 3 0 10.90 -999 ? CL CL A 144 >THR~C 28 -29.24 -18.71 -0.40 -31.00 -17.58 0.03 -30.12 -18.14 -0.19 2 0 15.27 -999 ? CL CL A 144 >SER~C 29 -28.39 -21.41 2.10 -28.58 -23.61 3.07 -28.48 -22.51 2.59 2 0 20.03 -999 ? O2S EPE A 145 >GLY~C 30 -24.90 -22.06 0.72 -25.26 -21.33 0.87 -25.08 -21.70 0.80 1 0 16.61 -999 ? O2S EPE A 145 >ALA~C 31 -24.09 -18.38 0.32 -24.85 -17.40 -0.54 -24.47 -17.89 -0.11 2 0 12.76 -999 ? O2S EPE A 145 >ALA~C 32 -25.29 -17.55 3.87 -26.69 -17.66 4.44 -25.99 -17.60 4.16 2 0 17.53 -999 ? O2S EPE A 145 >ALA~C 33 -23.29 -20.46 5.28 -23.53 -21.95 4.98 -23.41 -21.21 5.13 2 0 19.77 -999 ? O2S EPE A 145 >SER~C 34 -20.19 -19.13 3.46 -19.76 -20.67 1.72 -19.97 -19.90 2.59 2 0 16.74 -999 ? O2S EPE A 145 >GLY.C 35 -20.52 -15.68 4.99 -20.85 -15.81 4.28 -20.69 -15.75 4.64 1 0 16.82 -999 ? C2 EPE A 145 >TYR.C 36 -21.57 -14.90 -0.19 -19.53 -15.50 -1.96 -20.55 -15.20 -1.08 3 0 11.46 -999 ? O2S EPE A 145 >GLU^C 37 -25.71 -8.80 2.61 -25.32 -6.70 2.31 -25.52 -7.75 2.46 2 0 12.70 -999 ? O8 EPE A 145 >VAL^C 38 -27.80 -12.35 0.50 -28.10 -14.51 0.09 -27.95 -13.43 0.29 3 0 12.77 -999 ? O2S EPE A 145 >ASN^C 39 -30.23 -8.85 -1.51 -29.05 -7.61 -0.29 -29.64 -8.23 -0.90 2 0 12.71 -999 ? O1S EPE A 145 >LEU^C 40 -34.32 -12.98 -1.79 -33.38 -14.89 -1.67 -33.85 -13.94 -1.73 3 0 13.79 -999 ? CL CL A 144 >PHE^C 41 -36.68 -7.66 -5.84 -38.44 -5.69 -6.71 -37.56 -6.68 -6.28 3 0 13.95 -999 ? CL CL A 144 >PHE^C 42 -39.36 -13.49 -3.46 -37.88 -15.46 -2.19 -38.62 -14.48 -2.82 3 0 15.30 -999 ? CL CL A 144 >THR~C 43 -41.25 -10.40 -8.20 -40.24 -9.42 -9.90 -40.74 -9.91 -9.05 2 0 13.02 -999 ? CL CL A 144 >PHE~C 44 -43.65 -10.51 -12.73 -44.09 -8.18 -14.19 -43.87 -9.35 -13.46 3 0 15.66 -999 ? CL CL A 144 >TRP~C 45 -43.91 -15.76 -13.57 -47.74 -15.00 -13.94 -45.83 -15.38 -13.75 3 0 17.05 -999 ? CL CL A 144 >GLY~C 46 -41.88 -15.54 -7.30 -42.58 -15.06 -7.34 -42.23 -15.30 -7.32 1 0 15.01 -999 ? CL CL A 144 >LEU~C 47 -44.30 -11.60 -5.79 -44.98 -10.04 -4.47 -44.64 -10.82 -5.13 3 0 18.61 -999 ? CL CL A 144 >GLN~C 48 -48.94 -16.06 -7.17 -50.18 -14.35 -7.50 -49.56 -15.20 -7.34 2 0 22.45 -999 ? CL CL A 144 >ALA~C 49 -44.86 -18.05 -4.31 -43.58 -18.58 -5.01 -44.22 -18.32 -4.66 2 0 18.21 -999 ? CL CL A 144 >ILE~C 50 -42.97 -15.24 -0.80 -42.00 -14.42 -1.08 -42.48 -14.83 -0.94 3 0 19.31 -999 ? CL CL A 144 >THR~C 51 -47.87 -15.35 -0.33 -49.01 -15.27 -2.18 -48.44 -15.31 -1.26 2 0 23.70 -999 ? CL CL A 144 >LYS~C 52 -49.26 -17.15 2.71 -49.73 -13.44 7.75 -49.50 -15.30 5.23 2 0 30.57 -999 ? CL CL A 144 >LEU~C 55 -46.34 -20.51 1.88 -44.40 -19.65 1.42 -45.37 -20.08 1.65 3 0 24.00 -999 ? CL CL A 144 >ASN~C 56 -51.05 -22.38 3.65 -50.21 -21.11 5.13 -50.63 -21.74 4.39 2 0 29.98 -999 ? CL CL A 144 >SER~C 57 -51.53 -24.60 -0.40 -52.06 -24.91 -2.73 -51.80 -24.75 -1.56 2 0 28.33 -999 ? CL CL A 144 >PRO.C 60 -50.22 -31.46 -6.89 -49.34 -30.06 -5.35 -49.78 -30.76 -6.12 3 0 28.25 -999 ? CL CL A 144 >PRO.C 61 -44.44 -29.35 -4.98 -46.17 -28.43 -6.12 -45.31 -28.89 -5.55 3 0 24.11 -999 ? CL CL A 144 >ILE.C 63 -42.18 -29.62 -12.49 -40.62 -29.75 -12.25 -41.40 -29.69 -12.37 3 0 20.39 -999 ? CL CL A 144 >ASP~C 64 -40.17 -25.98 -15.74 -39.91 -24.84 -17.53 -40.04 -25.41 -16.64 2 0 15.91 -999 ? CL CL A 144 >ASN~C 66 -39.37 -27.13 -20.44 -39.80 -25.55 -21.78 -39.58 -26.34 -21.11 2 0 17.61 -999 ? CL CL A 144 >TYR~C 67 -37.19 -29.45 -17.63 -35.57 -27.50 -18.75 -36.38 -28.48 -18.19 3 0 16.92 -999 ? CL CL A 144 >GLU~C 68 -44.78 -31.25 -17.36 -46.61 -31.41 -18.48 -45.70 -31.33 -17.92 2 0 25.33 -999 ? CL CL A 144 >MET?C 70 -38.45 -35.60 -15.07 -35.31 -36.22 -16.82 -36.88 -35.91 -15.95 2 0 23.49 -999 ? CL CL A 144 >GLY.C 71 -40.54 -34.08 -12.23 -40.32 -34.83 -12.31 -40.43 -34.46 -12.27 1 0 23.56 -999 ? CL CL A 144 >PRO.C 72 -42.06 -38.15 -12.36 -41.34 -36.73 -10.77 -41.70 -37.44 -11.57 3 0 27.11 -999 ? CL CL A 144 >ILE.C 73 -36.74 -38.50 -11.46 -35.79 -39.25 -12.37 -36.27 -38.88 -11.92 3 0 26.33 -999 ? CL CL A 144 >MET?C 74 -36.76 -35.19 -8.57 -36.78 -31.00 -9.26 -36.77 -33.10 -8.91 2 0 19.72 -999 ? CL CL A 144 >MET?C 75 -39.66 -34.96 -6.08 -40.73 -32.05 -6.73 -40.20 -33.50 -6.40 2 0 23.18 -999 ? CL CL A 144 >GLN.C 76 -39.70 -41.16 -5.47 -37.95 -42.38 -5.32 -38.83 -41.77 -5.39 2 0 31.44 -999 ? CL CL A 144 >MET?C 78 -35.82 -35.14 -2.46 -36.29 -31.40 -4.58 -36.05 -33.27 -3.52 2 0 21.61 -999 ? CL CL A 144 >GLN.C 79 -40.20 -37.98 -1.32 -42.24 -38.65 -1.37 -41.22 -38.32 -1.35 2 0 31.20 -999 ? CL CL A 144 >GLU.C 80 -35.53 -41.95 -0.57 -35.49 -43.35 -2.16 -35.51 -42.65 -1.37 2 0 32.79 -999 ? CL CL A 144 >MET?C 81 -33.36 -37.56 1.28 -31.08 -35.94 -1.90 -32.22 -36.75 -0.31 2 0 25.67 -999 ? CL CL A 144 >LYS.C 82 -35.75 -35.45 3.45 -36.29 -39.60 8.17 -36.02 -37.53 5.81 2 0 35.24 -999 ? CL CL A 144 >TYR.C 83 -32.88 -31.45 -0.17 -30.65 -29.81 -0.64 -31.77 -30.63 -0.41 3 0 22.25 -999 ? CL CL A 144 >PRO.C 84 -33.77 -28.98 4.33 -35.37 -29.74 2.93 -34.57 -29.36 3.63 3 0 24.67 -999 ? CL CL A 144 >MET?C 85 -38.31 -27.15 1.09 -40.80 -27.89 -1.13 -39.56 -27.52 -0.02 2 0 22.88 -999 ? CL CL A 144 >TRP.C 86 -39.72 -23.70 -2.54 -40.06 -19.84 -1.93 -39.89 -21.77 -2.23 3 0 18.40 -999 ? CL CL A 144 >HIS.C 87 -40.94 -22.54 2.26 -42.04 -24.19 2.95 -41.49 -23.36 2.60 3 0 23.40 -999 ? CL CL A 144 >GLN.C 88 -39.02 -25.32 5.34 -39.49 -27.40 5.47 -39.26 -26.36 5.41 2 0 26.49 -999 ? CL CL A 144 >LEU.C 89 -33.26 -23.74 2.02 -32.41 -25.69 1.57 -32.83 -24.72 1.80 3 0 20.13 -999 ? CL CL A 144 >VAL.C 90 -34.30 -19.44 3.06 -35.11 -18.08 1.56 -34.70 -18.76 2.31 3 0 18.57 -999 ? CL CL A 144 >GLN.C 91 -37.22 -19.03 8.67 -37.90 -16.99 8.94 -37.56 -18.01 8.81 2 0 25.42 -999 ? CL CL A 144 >GLN.C 92 -33.66 -23.58 8.52 -33.71 -25.68 8.00 -33.68 -24.63 8.26 2 0 26.01 -999 ? CL CL A 144 >ALA.C 93 -30.35 -19.04 6.11 -30.38 -18.82 4.63 -30.37 -18.93 5.37 2 0 19.23 -999 ? O2S EPE A 145 >LYS.C 94 -31.80 -15.89 7.76 -36.59 -12.49 6.80 -34.19 -14.19 7.28 2 0 22.53 -999 ? O2S EPE A 145 >GLU.C 95 -33.39 -18.53 11.57 -34.39 -20.35 12.06 -33.89 -19.44 11.81 2 0 27.59 -999 ? O2S EPE A 145 >ILE.C 96 -27.31 -19.64 9.26 -27.30 -20.37 9.63 -27.31 -20.01 9.44 3 0 23.07 -999 ? O2S EPE A 145 >GLY.C 97 -26.46 -15.38 8.24 -27.23 -15.31 8.39 -26.85 -15.34 8.31 1 0 20.31 -999 ? O2S EPE A 145 >GLU^C 98 -26.60 -9.58 6.05 -28.04 -8.33 6.98 -27.32 -8.95 6.52 2 0 18.25 -999 ? O8 EPE A 145 >VAL^C 99 -30.28 -12.68 4.42 -30.67 -14.72 3.73 -30.48 -13.70 4.08 3 0 17.22 -999 ? O2S EPE A 145 >LYS^C 100 -32.91 -10.09 3.52 -31.08 -8.45 7.79 -31.99 -9.27 5.65 2 0 20.71 -999 ? O2S EPE A 145 >VAL^C 101 -36.11 -10.86 1.69 -37.10 -12.75 1.89 -36.60 -11.81 1.79 3 0 18.22 -999 ? CL CL A 144 >PHE^C 102 -35.81 -6.60 -0.17 -33.81 -5.63 1.48 -34.81 -6.11 0.66 3 0 16.65 -999 ? O1S EPE A 145 >ALA^C 103 -41.18 -8.11 -2.10 -42.48 -8.21 -1.29 -41.83 -8.16 -1.69 2 0 19.81 -999 ? CL CL A 144 >CYH^C 104 -41.69 -6.23 -5.37 -41.91 -5.89 -8.20 -41.80 -6.06 -6.79 2 0 16.50 -999 ? CL CL A 144 >SER~C 105 -44.14 -3.35 -4.89 -42.92 -1.28 -5.37 -43.53 -2.31 -5.13 2 0 20.92 -999 ? CL CL A 144 >THR~C 106 -45.04 -3.18 -8.60 -44.18 -2.39 -10.41 -44.61 -2.78 -9.51 2 0 19.51 -999 ? CL CL A 144 >THR~C 107 -46.05 -6.81 -8.96 -44.37 -8.11 -8.69 -45.21 -7.46 -8.82 2 0 17.51 -999 ? CL CL A 144 >MET?C 108 -48.05 -6.45 -5.72 -45.99 -6.36 -2.12 -47.02 -6.40 -3.92 2 0 22.43 -999 ? CL CL A 144 >PHE~C 110 -48.65 -5.68 -12.24 -47.16 -3.89 -13.77 -47.91 -4.79 -13.01 3 0 21.09 -999 ? CL CL A 144 >PHE~C 111 -50.06 -10.80 -9.50 -48.81 -11.85 -11.73 -49.43 -11.33 -10.62 3 0 21.07 -999 ? CL CL A 144 >GLY.C 112 -53.62 -7.18 -5.92 -53.00 -7.71 -5.83 -53.31 -7.45 -5.87 1 0 27.03 -999 ? CL CL A 144 >ILE.C 113 -50.14 -9.40 -3.35 -49.33 -10.59 -3.33 -49.74 -10.00 -3.34 3 0 24.00 -999 ? CL CL A 144 >ARG~C 115 -45.54 -6.44 3.92 -43.08 -5.39 5.47 -44.31 -5.92 4.69 2 0 25.84 -999 ? O1S EPE A 145 >GLU~C 116 -52.13 -7.01 5.97 -52.83 -5.84 4.34 -52.48 -6.42 5.16 2 0 31.54 -999 ? CL CL A 144 >ASP~C 117 -51.47 -11.37 0.99 -53.36 -10.39 1.01 -52.42 -10.88 1.00 2 0 29.23 -999 ? CL CL A 144 >LEU~C 118 -46.12 -10.92 2.06 -45.88 -9.99 0.09 -46.00 -10.45 1.07 3 0 23.44 -999 ? CL CL A 144 >ALA.C 119 -45.02 -14.58 4.41 -43.97 -15.51 3.80 -44.49 -15.04 4.11 2 0 23.86 -999 ? CL CL A 144 >PHE.C 121 -39.63 -15.47 4.86 -39.83 -16.41 2.24 -39.73 -15.94 3.55 3 0 21.26 -999 ? CL CL A 144 >VAL.C 122 -40.52 -10.78 4.14 -41.76 -10.22 2.44 -41.14 -10.50 3.29 3 0 21.93 -999 ? CL CL A 144 >ASP.C 123 -36.85 -7.95 5.37 -36.01 -9.72 6.20 -36.43 -8.84 5.79 2 0 21.65 -999 ? O2S EPE A 145 >ASP^C 124 -38.62 -3.96 3.32 -39.43 -1.93 3.43 -39.02 -2.95 3.38 2 0 22.63 -999 ? O1S EPE A 145 >VAL^C 125 -41.63 -4.13 0.18 -43.79 -4.29 -0.12 -42.71 -4.21 0.03 3 0 22.27 -999 ? CL CL A 144 >VAL^C 126 -39.58 -2.05 -2.22 -37.61 -2.68 -1.44 -38.60 -2.36 -1.83 3 0 18.62 -999 ? O1S EPE A 145 >GLY~C 127 -39.21 -0.92 -5.80 -38.56 -1.23 -5.36 -38.88 -1.07 -5.58 1 0 17.87 -999 ? O1S EPE A 145 >VAL~C 128 -36.70 -2.07 -8.37 -36.61 -2.71 -10.46 -36.66 -2.39 -9.42 3 0 14.05 -999 ? O1S EPE A 145 >ALA~C 129 -34.15 0.77 -8.09 -34.39 2.21 -8.42 -34.27 1.49 -8.25 2 0 15.24 -999 ? O1S EPE A 145 >THR~C 130 -33.96 0.15 -4.28 -35.19 0.92 -2.69 -34.58 0.53 -3.49 2 0 17.24 -999 ? O1S EPE A 145 >PHE~C 131 -33.49 -5.86 -5.07 -32.32 -8.32 -4.62 -32.90 -7.09 -4.85 3 0 11.28 -999 ? O1S EPE A 145 >LEU~C 132 -30.81 -1.95 -9.00 -31.52 -3.08 -10.75 -31.17 -2.51 -9.88 3 0 9.43 -999 ? O1S EPE A 145 >ASP~C 133 -29.44 0.95 -4.55 -29.98 2.55 -5.94 -29.71 1.75 -5.25 2 0 13.97 -999 ? O1S EPE A 145 >ARG~C 134 -31.39 -3.77 -0.29 -30.40 -4.40 2.52 -30.89 -4.09 1.12 2 0 16.35 -999 ? O1S EPE A 145 >ALA~C 135 -27.20 -5.52 -5.36 -28.06 -6.03 -6.53 -27.63 -5.77 -5.95 2 0 7.15 -999 ? O1S EPE A 145 >GLU~C 136 -23.69 -0.96 -7.59 -23.14 1.06 -7.18 -23.42 0.05 -7.38 2 0 8.02 -999 ? O8 EPE A 145 >GLY.C 137 -21.03 -4.52 -6.25 -21.60 -5.04 -6.36 -21.32 -4.78 -6.30 1 0 4.19 -999 ? O8 EPE A 145 >GLY.C 138 -21.96 -8.16 -5.68 -22.21 -7.83 -6.43 -22.09 -7.99 -6.06 1 0 -4.86 -999 ? C2 EPE A 145s >THR^C 139 -23.01 -11.13 -7.76 -22.15 -13.06 -7.97 -22.58 -12.09 -7.87 2 0 -4.20 -999 ? O2S EPE A 145s >THR^C 140 -26.53 -10.66 -9.09 -27.39 -8.68 -8.89 -26.96 -9.67 -8.99 2 0 -4.37 -999 ? O1S EPE A 145s >LEU^C 141 -28.65 -14.65 -10.16 -26.81 -15.85 -10.00 -27.73 -15.25 -10.08 3 0 4.90 -999 ? CL CL A 144 >PHE^C 142 -34.01 -12.30 -13.91 -36.67 -11.93 -14.57 -35.33 -12.12 -14.24 3 0 -6.66 -999 ? CL CL A 144s >ILE^C 143 -33.63 -17.43 -10.48 -32.85 -18.51 -9.80 -33.24 -17.97 -10.14 3 0 7.53 -999 ? CL CL A 144 >LYS.D 6 3.13 -11.94 -19.77 2.68 -17.66 -22.71 2.90 -14.80 -21.24 2 0 14.92 -999 ? O8 EPE D 146 >LYS.D 7 4.11 -10.06 -22.93 10.31 -9.82 -22.91 7.21 -9.94 -22.92 2 0 12.04 -999 ? O8 EPE D 146 >LYS^D 8 1.68 -9.90 -25.83 -3.84 -8.88 -23.92 -1.08 -9.39 -24.87 2 0 8.17 -999 ? O8 EPE D 146 >LEU^D 9 2.98 -9.46 -30.28 3.72 -8.56 -32.09 3.35 -9.01 -31.18 3 0 8.47 -999 ? O3S EPE D 146 >SER^D 10 -1.45 -8.76 -31.59 -2.81 -8.96 -29.58 -2.13 -8.86 -30.58 2 0 8.71 -999 ? O3S EPE D 146 >ILE^D 11 -0.33 -8.74 -36.10 0.96 -8.78 -36.78 0.32 -8.76 -36.44 3 0 8.77 -999 ? CL CL D 144 >ILE^D 12 -5.18 -5.98 -37.64 -6.42 -5.26 -37.43 -5.80 -5.62 -37.54 3 0 8.12 -999 ? CL CL D 144 >VAL^D 13 -3.13 -8.90 -40.86 -1.91 -10.66 -40.92 -2.52 -9.78 -40.89 3 0 10.94 -999 ? CL CL D 144 >PHE.D 14 -5.77 -4.60 -44.36 -7.08 -3.34 -46.47 -6.43 -3.97 -45.42 3 0 11.55 -999 ? CL CL D 144 >SER.D 15 -2.48 -7.02 -46.28 -1.29 -4.94 -45.89 -1.88 -5.98 -46.08 2 0 10.54 -999 ? CL CL D 144 >GLY.D 16 -2.08 -10.01 -48.59 -1.56 -9.45 -48.80 -1.82 -9.73 -48.70 1 0 15.70 -999 ? CL CL D 144 >THR~D 17 1.11 -9.25 -50.49 1.81 -7.39 -51.27 1.46 -8.32 -50.88 2 0 16.46 -999 ? CL CL D 144 >ILE~D 18 4.94 -12.32 -50.81 5.41 -12.89 -50.49 5.18 -12.60 -50.65 3 0 19.52 -999 ? CL CL D 144 >ASP~D 19 6.80 -7.28 -49.47 5.20 -6.20 -50.30 6.00 -6.74 -49.88 2 0 15.85 -999 ? CL CL D 144 >LYS~D 20 3.77 -7.84 -45.94 1.16 -2.20 -46.49 2.46 -5.02 -46.22 2 0 10.12 -999 ? CL CL D 144 >LEU~D 21 2.43 -12.48 -45.84 0.31 -12.68 -46.16 1.37 -12.58 -46.00 3 0 15.72 -999 ? CL CL D 144 >MET?D 22 6.81 -12.12 -44.40 8.10 -14.69 -46.01 7.46 -13.41 -45.20 2 0 19.20 -999 ? CL CL D 144 >PRO~D 23 6.89 -7.89 -43.19 7.05 -9.88 -42.18 6.97 -8.88 -42.69 3 0 12.79 -999 ? CL CL D 144 >VAL~D 24 3.94 -11.15 -40.06 1.80 -11.13 -40.43 2.87 -11.14 -40.24 3 0 12.04 -999 ? CL CL D 144 >GLY~D 25 5.71 -14.52 -40.01 6.02 -13.78 -39.77 5.86 -14.15 -39.89 1 0 15.96 -999 ? CL CL D 144 >ILE~D 26 9.91 -12.08 -39.53 11.08 -11.63 -40.21 10.50 -11.85 -39.87 3 0 16.15 -999 ? CL CL D 144 >LEU~D 27 6.31 -9.99 -36.18 6.64 -7.83 -36.31 6.47 -8.91 -36.25 3 0 11.02 -999 ? CL CL D 144 >THR~D 28 5.21 -14.04 -34.95 3.36 -14.88 -35.73 4.29 -14.46 -35.34 2 0 15.29 -999 ? CL CL D 144 >SER~D 29 8.08 -16.49 -34.93 9.82 -17.78 -36.00 8.95 -17.13 -35.46 2 0 20.03 -999 ? O3S EPE D 146 >GLY~D 30 10.38 -14.18 -33.00 9.58 -14.37 -32.83 9.98 -14.27 -32.91 1 0 16.53 -999 ? O3S EPE D 146 >ALA~D 31 7.72 -13.14 -30.48 6.43 -12.32 -30.75 7.07 -12.73 -30.61 2 0 12.56 -999 ? O3S EPE D 146 >ALA~D 32 6.71 -16.73 -29.92 6.14 -17.74 -30.94 6.42 -17.24 -30.43 2 0 17.50 -999 ? O3S EPE D 146 >ALA~D 33 10.33 -17.80 -29.33 11.50 -17.75 -30.31 10.91 -17.78 -29.82 2 0 19.73 -999 ? O3S EPE D 146 >SER~D 34 10.70 -14.90 -26.85 11.77 -13.07 -27.90 11.23 -13.98 -27.38 2 0 16.19 -999 ? O3S EPE D 146 >GLY.D 35 7.77 -16.22 -24.79 7.63 -15.64 -25.34 7.70 -15.93 -25.06 1 0 15.58 -999 ? O8 EPE D 146 >TYR.D 36 5.96 -11.60 -26.95 7.30 -9.17 -26.45 6.63 -10.38 -26.70 3 0 11.19 -999 ? O3S EPE D 146 >GLU^D 37 -1.17 -14.18 -26.07 -2.75 -13.47 -24.70 -1.96 -13.82 -25.39 2 0 11.78 -999 ? O8 EPE D 146 >VAL^D 38 0.77 -13.85 -30.11 2.45 -13.81 -31.51 1.61 -13.83 -30.81 3 0 12.83 -999 ? O3S EPE D 146 >ASN^D 39 -3.62 -12.33 -30.72 -3.64 -12.93 -28.70 -3.63 -12.63 -29.71 2 0 12.69 -999 ? O3S EPE D 146 >LEU^D 40 -2.35 -13.69 -36.29 -0.17 -13.75 -36.44 -1.26 -13.72 -36.37 3 0 13.78 -999 ? CL CL D 144 >PHE^D 41 -7.11 -10.47 -34.64 -7.32 -10.90 -31.87 -7.21 -10.69 -33.26 3 0 10.83 -999 ? CL CL D 145 >PHE^D 42 -4.87 -13.89 -41.00 -2.30 -14.83 -40.57 -3.58 -14.36 -40.78 3 0 15.36 -999 ? CL CL D 144 >THR~D 43 -8.99 -9.70 -42.32 -9.33 -7.69 -41.57 -9.16 -8.70 -41.94 2 0 13.04 -999 ? CL CL D 144 >PHE~D 44 -10.52 -6.12 -45.74 -12.80 -4.59 -45.28 -11.66 -5.36 -45.51 3 0 15.58 -999 ? CL CL D 144 >TRP~D 45 -6.32 -5.95 -48.90 -9.20 -6.61 -51.43 -7.76 -6.28 -50.16 3 0 16.78 -999 ? CL CL D 144 >GLY~D 46 -4.92 -11.21 -45.24 -5.67 -11.37 -45.57 -5.30 -11.29 -45.40 1 0 14.94 -999 ? CL CL D 144 >LEU~D 47 -9.32 -13.08 -44.51 -10.75 -14.27 -43.50 -10.04 -13.67 -44.01 3 0 15.32 -999 ? CL CL D 145 >GLN~D 48 -8.33 -13.54 -50.94 -10.35 -12.94 -50.83 -9.34 -13.24 -50.89 2 0 20.97 -999 ? CL CL D 145 >ALA~D 49 -4.16 -15.33 -47.99 -3.09 -14.36 -47.53 -3.63 -14.84 -47.76 2 0 18.27 -999 ? CL CL D 144 >ILE~D 50 -5.17 -17.77 -43.89 -5.31 -17.14 -42.73 -5.24 -17.45 -43.31 3 0 19.07 -999 ? CL CL D 145 >THR~D 51 -7.71 -19.71 -47.57 -8.58 -18.35 -48.99 -8.14 -19.03 -48.28 2 0 21.72 -999 ? CL CL D 145 >LYS~D 52 -6.72 -23.24 -48.63 -10.16 -27.64 -45.53 -8.44 -25.44 -47.08 2 0 24.35 -999 ? CL CL D 145 >SER~D 54 -4.63 -19.29 -51.90 -3.66 -17.18 -51.11 -4.15 -18.23 -51.50 2 0 22.73 -999 ? CL CL D 144 >LEU~D 55 -2.41 -21.96 -48.48 -2.19 -20.87 -46.59 -2.30 -21.41 -47.53 3 0 24.12 -999 ? CL CL D 144 >ASN~D 56 -3.32 -25.21 -52.58 -3.72 -26.33 -50.84 -3.52 -25.77 -51.71 2 0 29.38 -999 ? CL CL D 145 >SER~D 57 -2.00 -21.84 -55.44 -2.14 -19.80 -56.74 -2.07 -20.82 -56.09 2 0 28.27 -999 ? CL CL D 144 >GLN.D 59 -1.47 -18.38 -60.18 -0.65 -18.28 -62.16 -1.06 -18.33 -61.17 2 0 31.37 -999 ? CL CL D 144 >PRO.D 60 3.90 -16.08 -60.23 3.33 -17.11 -58.29 3.61 -16.60 -59.26 3 0 28.26 -999 ? CL CL D 144 >PRO.D 61 5.37 -15.97 -53.91 3.64 -15.22 -55.20 4.51 -15.59 -54.55 3 0 24.15 -999 ? CL CL D 144 >GLN.D 62 -0.06 -11.09 -54.39 -1.94 -10.00 -54.30 -1.00 -10.54 -54.35 2 0 20.36 -999 ? CL CL D 144 >ILE.D 63 6.25 -8.03 -54.77 7.32 -7.96 -53.57 6.78 -8.00 -54.17 3 0 20.40 -999 ? CL CL D 144 >ASP~D 64 3.77 -3.98 -52.36 2.81 -2.05 -52.32 3.29 -3.02 -52.34 2 0 16.02 -999 ? CL CL D 144 >LYS~D 65 3.33 -3.03 -56.97 -1.82 -3.51 -60.81 0.76 -3.27 -58.89 2 0 24.46 -999 ? CL CL D 144 >ASN~D 66 4.84 0.60 -54.09 2.98 1.60 -54.16 3.91 1.10 -54.13 2 0 17.81 -999 ? CL CL D 144 >TYR~D 67 8.02 -1.60 -52.64 7.08 0.27 -50.76 7.55 -0.67 -51.70 3 0 16.83 -999 ? CL CL D 144 >GLU~D 68 5.74 -4.39 -59.25 4.71 -3.85 -61.06 5.23 -4.12 -60.16 2 0 25.13 -999 ? CL CL D 144 >MET?D 70 13.00 -5.10 -56.01 15.66 -3.44 -54.96 14.33 -4.27 -55.48 2 0 24.32 -999 ? CL CL D 144 >GLY.D 71 10.85 -8.26 -55.87 11.59 -8.20 -56.12 11.22 -8.23 -55.99 1 0 23.54 -999 ? CL CL D 144 >PRO.D 72 13.17 -9.16 -59.31 12.71 -10.24 -57.41 12.94 -9.70 -58.36 3 0 27.05 -999 ? CL CL D 144 >ILE.D 73 16.71 -8.40 -55.14 17.83 -7.43 -55.14 17.27 -7.91 -55.14 3 0 26.49 -999 ? CL CL D 144 >MET?D 74 14.14 -10.65 -52.32 10.64 -9.29 -50.21 12.39 -9.97 -51.26 2 0 19.56 -999 ? CL CL D 144 >MET?D 75 12.55 -13.86 -53.61 9.25 -13.35 -53.06 10.90 -13.61 -53.33 2 0 23.07 -999 ? CL CL D 144 >GLN.D 76 17.72 -15.42 -56.74 19.34 -16.00 -55.44 18.53 -15.71 -56.09 2 0 31.34 -999 ? CL CL D 144 >MET?D 78 15.11 -16.12 -49.61 11.43 -14.22 -48.26 13.27 -15.17 -48.93 2 0 21.61 -999 ? CL CL D 144 >GLN.D 79 15.05 -18.90 -54.11 14.25 -19.43 -56.03 14.65 -19.16 -55.07 2 0 30.90 -999 ? CL CL D 144 >GLU.D 80 21.10 -18.28 -52.10 22.14 -16.74 -53.08 21.62 -17.51 -52.59 2 0 32.24 -999 ? CL CL D 144 >MET?D 81 18.79 -19.09 -47.76 18.35 -15.07 -46.54 18.57 -17.08 -47.15 2 0 25.72 -999 ? CL CL D 144 >LYS.D 82 15.95 -21.66 -47.76 18.36 -27.22 -48.84 17.16 -24.44 -48.30 2 0 35.01 -999 ? CL CL D 144 >TYR.D 83 13.86 -16.92 -44.50 13.57 -15.58 -42.06 13.72 -16.25 -43.28 3 0 22.27 -999 ? CL CL D 144 >PRO.D 84 11.72 -20.98 -42.38 11.35 -20.40 -44.53 11.54 -20.69 -43.46 3 0 24.64 -999 ? CL CL D 144 >MET?D 85 7.46 -19.29 -46.06 6.96 -17.90 -49.15 7.21 -18.59 -47.60 2 0 22.90 -999 ? CL CL D 144 >TRP.D 86 3.36 -16.26 -46.54 0.08 -16.54 -44.46 1.72 -16.40 -45.50 3 0 18.70 -999 ? CL CL D 144 >HIS.D 87 2.16 -20.58 -45.32 2.88 -21.47 -47.08 2.52 -21.03 -46.20 3 0 23.22 -999 ? CL CL D 144 >GLN.D 88 6.01 -23.47 -44.11 7.56 -24.08 -45.47 6.79 -23.77 -44.79 2 0 26.72 -999 ? CL CL D 144 >LEU.D 89 7.30 -18.17 -40.08 9.28 -17.51 -40.58 8.29 -17.84 -40.33 3 0 20.01 -999 ? CL CL D 144 >VAL.D 90 3.30 -19.06 -38.19 1.62 -17.72 -38.54 2.46 -18.39 -38.37 3 0 18.63 -999 ? CL CL D 144 >GLN.D 91 2.04 -25.24 -38.68 0.41 -25.49 -37.22 1.22 -25.36 -37.95 2 0 25.09 -999 ? CL CL D 145 >ALA.D 93 5.45 -20.58 -33.92 5.11 -19.19 -34.27 5.28 -19.88 -34.10 2 0 19.20 -999 ? O3S EPE D 146 >LYS.D 94 2.22 -22.30 -32.78 -3.43 -22.89 -34.83 -0.61 -22.59 -33.80 2 0 20.13 -999 ? CL CL D 145 >GLU.D 95 3.99 -26.89 -34.16 4.97 -27.71 -35.94 4.48 -27.30 -35.05 2 0 27.71 -999 ? O3S EPE D 146 >ILE.D 96 7.96 -22.64 -30.81 8.78 -21.96 -29.80 8.37 -22.30 -30.30 3 0 22.48 -999 ? O3S EPE D 146 >GLY.D 97 4.73 -20.88 -28.20 4.26 -21.26 -28.73 4.49 -21.07 -28.47 1 0 19.88 -999 ? O8 EPE D 146 >GLU^D 98 -0.49 -18.73 -25.88 -0.97 -17.97 -23.90 -0.73 -18.35 -24.89 2 0 15.40 -999 ? O8 EPE D 146 >VAL^D 99 0.04 -18.32 -30.94 1.48 -18.00 -32.56 0.76 -18.16 -31.75 3 0 17.23 -999 ? O3S EPE D 146 >LYS^D 100 -3.65 -17.98 -31.83 -3.73 -21.18 -28.01 -3.69 -19.58 -29.92 2 0 18.85 -999 ? CL CL D 145 >VAL^D 101 -4.88 -17.41 -35.41 -3.77 -18.20 -37.13 -4.32 -17.80 -36.27 3 0 16.68 -999 ? CL CL D 145 >PHE^D 102 -8.42 -15.11 -33.45 -8.00 -15.88 -30.83 -8.21 -15.49 -32.14 3 0 11.51 -999 ? CL CL D 145 >ALA^D 103 -10.21 -15.10 -39.10 -10.65 -16.28 -39.96 -10.43 -15.69 -39.53 2 0 13.10 -999 ? CL CL D 145 >CYH^D 104 -12.42 -12.02 -39.45 -13.14 -9.45 -40.35 -12.78 -10.74 -39.90 2 0 9.92 -999 ? CL CL D 145 >SER~D 105 -16.11 -12.90 -39.74 -17.17 -11.87 -37.85 -16.64 -12.39 -38.79 2 0 6.83 -999 ? CL CL D 145 >THR~D 106 -17.08 -9.66 -41.54 -17.60 -7.65 -40.97 -17.34 -8.65 -41.25 2 0 9.49 -999 ? CL CL D 145 >THR~D 107 -14.57 -10.09 -44.34 -12.42 -9.77 -44.60 -13.50 -9.93 -44.47 2 0 14.08 -999 ? CL CL D 145 >MET?D 108 -15.66 -13.69 -44.73 -14.37 -16.36 -41.79 -15.01 -15.02 -43.26 2 0 12.93 -999 ? CL CL D 145 >GLU~D 109 -20.62 -12.50 -43.53 -21.76 -11.35 -42.18 -21.19 -11.92 -42.85 2 0 11.50 -999 ? CL CL D 145 >PHE~D 110 -17.33 -7.60 -46.75 -18.21 -5.55 -45.07 -17.77 -6.58 -45.91 3 0 14.54 -999 ? CL CL D 145 >PHE~D 111 -13.55 -11.13 -49.68 -12.29 -8.64 -49.81 -12.92 -9.88 -49.74 3 0 18.80 -999 ? CL CL D 145 >GLY.D 112 -18.11 -15.35 -49.53 -17.35 -15.30 -49.29 -17.73 -15.33 -49.41 1 0 18.96 -999 ? CL CL D 145 >ILE.D 113 -14.18 -16.82 -47.10 -12.75 -16.65 -47.12 -13.46 -16.74 -47.11 3 0 17.79 -999 ? CL CL D 145 >ARG~D 115 -16.99 -21.67 -39.03 -18.83 -20.42 -36.87 -17.91 -21.05 -37.95 2 0 12.45 -999 ? CL CL D 145 >ASP~D 117 -12.87 -21.66 -47.77 -14.70 -22.12 -48.75 -13.78 -21.89 -48.26 2 0 21.71 -999 ? CL CL D 145 >LEU~D 118 -10.29 -21.00 -43.10 -11.06 -19.00 -43.10 -10.68 -20.00 -43.10 3 0 17.33 -999 ? CL CL D 145 >ALA.D 119 -6.44 -23.22 -43.43 -5.13 -22.44 -43.31 -5.78 -22.83 -43.37 2 0 21.77 -999 ? CL CL D 145 >PHE.D 121 -2.63 -22.13 -39.63 -2.04 -19.88 -41.19 -2.34 -21.00 -40.41 3 0 21.38 -999 ? CL CL D 145 >VAL.D 122 -7.11 -21.08 -38.01 -8.33 -19.86 -39.33 -7.72 -20.47 -38.67 3 0 16.71 -999 ? CL CL D 145 >ASP.D 123 -7.43 -20.78 -33.24 -5.47 -21.58 -33.20 -6.45 -21.18 -33.22 2 0 17.57 -999 ? CL CL D 145 >ASP^D 124 -11.65 -18.88 -33.14 -13.54 -19.30 -32.35 -12.59 -19.09 -32.74 2 0 11.01 -999 ? CL CL D 145 >VAL^D 125 -13.66 -16.98 -36.59 -14.77 -17.44 -38.44 -14.21 -17.21 -37.51 3 0 10.60 -999 ? CL CL D 145 >VAL^D 126 -14.39 -13.80 -34.63 -12.58 -14.09 -33.41 -13.48 -13.95 -34.02 3 0 6.89 -999 ? CL CL D 145 >GLY~D 127 -15.41 -10.19 -34.89 -14.81 -10.41 -34.36 -15.11 -10.30 -34.63 1 0 4.19 -999 ? CL CL D 145 >VAL~D 128 -13.59 -6.93 -34.19 -13.68 -4.78 -34.88 -13.64 -5.86 -34.53 3 0 6.09 -999 ? CL CL D 145 >ALA~D 129 -14.52 -6.51 -30.58 -15.90 -6.50 -30.00 -15.21 -6.51 -30.29 2 0 -3.66 -999 ? CL CL D 145s >THR~D 130 -13.12 -9.89 -29.84 -13.84 -11.84 -30.18 -13.48 -10.87 -30.01 2 0 5.00 -999 ? CL CL D 145 >PHE~D 131 -8.64 -6.67 -32.74 -6.73 -4.53 -32.78 -7.68 -5.60 -32.76 3 0 8.86 -999 ? O2S EPE D 146 >LEU~D 132 -10.90 -4.61 -29.31 -11.77 -3.12 -30.70 -11.34 -3.86 -30.01 3 0 8.53 -999 ? CL CL D 145 >ASP~D 133 -11.36 -8.42 -25.83 -13.22 -7.56 -25.44 -12.29 -7.99 -25.63 2 0 7.85 -999 ? CL CL D 145 >ARG~D 134 -7.38 -13.38 -28.19 -7.10 -15.95 -26.51 -7.24 -14.66 -27.35 2 0 13.66 -999 ? CL CL D 145 >ALA~D 135 -5.15 -7.14 -27.91 -5.30 -6.27 -29.15 -5.23 -6.70 -28.53 2 0 7.33 -999 ? O2S EPE D 146 >GLU~D 136 -7.17 -3.74 -23.12 -9.02 -3.88 -22.01 -8.10 -3.81 -22.57 2 0 8.82 -999 ? C5 EPE D 146 >GLY.D 137 -2.63 -4.20 -22.88 -2.56 -4.40 -23.65 -2.59 -4.30 -23.27 1 0 -3.82 -999 ? C5 EPE D 146s >GLY.D 138 -0.06 -5.55 -25.38 -0.52 -4.89 -25.63 -0.29 -5.22 -25.51 1 0 -5.03 -999 ? N1 EPE D 146s >THR^D 139 1.72 -4.29 -28.47 3.80 -4.01 -28.91 2.76 -4.15 -28.69 2 0 -4.08 -999 ? O3S EPE D 146s >THR^D 140 -0.72 -4.04 -31.39 -2.84 -4.20 -30.87 -1.78 -4.12 -31.13 2 0 -4.35 -999 ? O2S EPE D 146s >LEU^D 141 1.32 -4.22 -35.57 3.32 -3.85 -34.80 2.32 -4.04 -35.18 3 0 4.89 -999 ? CL CL D 144 >PHE^D 142 -3.96 -2.13 -39.55 -5.77 -2.32 -41.61 -4.86 -2.23 -40.58 3 0 -6.62 -999 ? CL CL D 144s >ILE^D 143 0.79 -5.82 -40.90 2.17 -6.33 -40.73 1.48 -6.08 -40.82 3 0 7.50 -999 ? CL CL D 144