REMARK SOURCE hebe.pdb HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 08-DEC-09 3KZP COMPND PUTATIVE DIGUANYLATE CYCLASE/PHOSPHODIESTERASE; COMPND 3 CHAIN: A, B; COMPND 4 SYNONYM: LMO0111 PROTEIN; COMPND 5 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: LISTERIA MONOCYTOGENES; SOURCE 3 ORGANISM_TAXID: 1639; SOURCE 4 GENE: LMO0111; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 6 EXPRESSION_SYSTEM_TAXID: 469008; SOURCE 7 EXPRESSION_SYSTEM_STRAIN: BL21-CODONPLUS(DE3)-RIPL; SOURCE 8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 9 EXPRESSION_SYSTEM_PLASMID: PMCSG7 AUTHOR M.M.KLIMECKA,M.CHRUSZCZ,M.D.ZIMMERMAN,M.KUDRITSKA,A.SAVCHENKO, AUTHOR 2 A.EDWARDS,A.JOACHIMIAK,W.MINOR,MIDWEST CENTER FOR STRUCTURAL AUTHOR 3 GENOMICS (MCSG) HET MSE A 107 8 HET MSE A 160 8 HET MSE A 213 8 HET MSE B 4 5 HET MSE B 107 8 HET MSE B 160 8 HET MSE B 213 8 HET CL A 236 1 HET CL A 237 1 HET CL A 238 1 HET CL A 239 1 HET CA A 240 1 HET CAC A 241 5 HET CL B 236 1 HET CA B 237 1 HET CL B 238 1 HET CAC B 239 5 SITE 1 AC1 4 SER A 222 ILE A 223 HOH A 294 HOH A 343 SITE 1 AC2 4 LEU A 28 ASN A 78 HOH A 280 HOH A 382 SITE 1 AC3 2 SER A 150 SER B 150 SITE 1 AC4 5 PHE A 176 ASN A 178 ILE A 179 HOH A 371 SITE 1 AC5 6 GLU A 25 ASN A 78 GLU A 106 ASP A 147 SITE 1 AC6 4 ARG A 74 HOH A 320 HOH A 470 HOH A 507 SITE 1 AC7 3 LEU B 28 ASN B 78 HOH B 271 SITE 1 AC8 6 GLU B 25 ASN B 78 GLU B 106 ASP B 147 SITE 1 AC9 4 PHE B 85 TYR B 86 ILE B 87 HIS B 117 SITE 1 BC1 2 ARG B 74 HOH B 267 >LYS.A 5 41.32 65.23 23.00 45.61 67.24 19.76 43.47 66.24 21.38 2 0 14.40 -999 ? CL CL A 237 >PHE.A 6 45.38 62.53 22.81 46.76 63.28 20.54 46.07 62.91 21.68 3 0 9.97 -999 ? CL CL A 237 >GLN^A 7 40.21 58.19 25.69 38.14 58.04 26.20 39.17 58.11 25.94 2 0 12.61 -999 ? CL CL A 237 >LEU^A 8 44.88 55.86 28.82 46.89 56.63 28.86 45.89 56.24 28.84 3 0 8.32 -999 ? CL CL A 237 >PHE^A 9 40.51 52.61 25.53 38.01 53.65 24.84 39.26 53.13 25.19 3 0 10.30 -999 ? CL CL A 237 >ILE^A 10 43.65 48.98 30.12 43.42 48.96 31.30 43.53 48.97 30.71 3 0 11.41 -999 ? CL CL A 237 >GLN^A 11 43.60 44.44 24.88 43.92 44.23 22.76 43.76 44.34 23.82 2 0 8.30 -999 ? CA CA A 240 >PRO^A 12 42.01 43.58 30.11 43.88 43.61 28.95 42.94 43.60 29.53 3 0 12.59 -999 ? CA CA A 240 >LYS^A 13 46.38 40.44 27.59 48.76 43.21 23.63 47.57 41.83 25.61 2 0 5.55 -999 ? CA CA A 240 >LEU^A 14 43.27 37.03 27.94 41.84 38.22 29.08 42.55 37.63 28.51 3 0 14.46 -999 ? O2 CAC A 241 >ASP.A 15 47.17 32.96 28.91 48.05 31.18 28.22 47.61 32.07 28.57 2 0 12.88 -999 ? O2 CAC A 241 >VAL.A 16 44.91 31.68 25.11 45.05 31.49 22.91 44.98 31.59 24.01 3 0 15.48 -999 ? CL CL A 236 >LEU.A 17 46.35 27.53 27.03 47.26 26.33 25.39 46.80 26.93 26.21 3 0 14.23 -999 ? CL CL A 236 >GLN.A 18 46.62 29.39 31.29 48.13 28.98 32.76 47.37 29.19 32.03 2 0 12.77 -999 ? C2 CAC A 241 >GLY.A 19 42.86 32.85 30.28 43.51 32.71 30.77 43.18 32.78 30.53 1 0 15.14 -999 ? O2 CAC A 241 >ASN.A 20 46.20 33.80 33.74 47.76 33.10 32.51 46.98 33.45 33.13 2 0 10.59 -999 ? O2 CAC A 241 >ILE^A 21 45.39 39.37 33.41 44.54 40.43 33.60 44.96 39.90 33.50 3 0 10.90 -999 ? O2 CAC A 241 >VAL^A 22 49.64 38.32 31.63 50.77 37.06 30.27 50.21 37.69 30.95 3 0 6.64 -999 ? O2 CAC A 241 >GLU^A 23 51.18 42.16 29.16 53.05 42.42 28.16 52.12 42.29 28.66 2 0 6.75 -999 ? O2 CAC A 241 >TYR^A 24 46.42 45.28 32.49 45.00 44.07 34.59 45.71 44.68 33.54 3 0 11.25 -999 ? O2 CAC A 241 >GLU^A 25 49.23 47.49 24.86 49.18 46.82 22.85 49.21 47.16 23.85 2 0 -2.95 -999 ? CA CA A 240s >ILE^A 26 48.86 51.87 28.08 48.04 52.49 29.13 48.45 52.18 28.61 3 0 7.06 -999 ? CL CL A 237 >LEU^A 27 45.38 51.31 23.54 45.66 49.40 22.68 45.52 50.35 23.11 3 0 4.78 -999 ? CL CL A 237 >LEU^A 28 46.79 56.55 22.16 48.01 58.31 22.73 47.40 57.43 22.44 3 0 -4.43 -999 ? CL CL A 237s >ARG^A 29 41.08 53.79 21.02 42.89 51.39 20.28 41.98 52.59 20.65 2 0 6.51 -999 ? CL CL A 237 >ASP.A 30 40.15 60.27 19.46 38.79 58.98 18.42 39.47 59.63 18.94 2 0 12.05 -999 ? CL CL A 237 >ASP.A 31 37.19 62.59 23.10 37.43 64.16 21.65 37.31 63.38 22.38 2 0 15.79 -999 ? CL CL A 237 >SER.A 32 34.98 59.78 19.73 36.01 59.78 17.50 35.49 59.78 18.61 2 0 15.03 -999 ? CL CL A 237 >ALA.A 33 31.48 58.38 20.11 30.36 58.63 19.12 30.92 58.50 19.61 2 0 19.48 -999 ? CL CL A 237 >VAL.A 34 33.25 55.22 19.06 33.36 53.81 17.40 33.31 54.52 18.23 3 0 16.05 -999 ? CL CL A 237 >PRO.A 35 36.01 55.64 22.41 36.18 55.49 20.17 36.09 55.56 21.29 3 0 13.04 -999 ? CL CL A 237 >ARG.A 36 39.31 56.62 14.49 40.08 59.55 13.84 39.70 58.08 14.16 2 0 13.35 -999 ? CL CL A 237 >PHE.A 37 45.79 54.79 17.12 48.36 55.76 17.28 47.08 55.27 17.20 3 0 5.20 -999 ? CL CL A 237 >PRO~A 38 44.67 59.24 19.27 43.90 58.38 17.31 44.29 58.81 18.29 3 0 7.92 -999 ? CL CL A 237 >LEU~A 39 46.05 57.82 12.88 47.68 57.00 11.67 46.87 57.41 12.27 3 0 10.44 -999 ? CL CL A 237 >SER~A 40 45.97 62.24 12.62 44.47 62.12 10.73 45.22 62.18 11.67 2 0 14.71 -999 ? CL CL A 237 >GLU~A 41 43.57 64.03 16.77 42.39 62.52 15.76 42.98 63.28 16.26 2 0 12.72 -999 ? CL CL A 237 >LEU~A 42 49.22 60.44 17.40 50.71 59.48 18.59 49.96 59.96 17.99 3 0 7.62 -999 ? CL CL A 237 >GLU~A 43 50.75 60.94 12.49 50.78 60.10 10.54 50.77 60.52 11.51 2 0 13.14 -999 ? CL CL A 237 >ALA~A 44 50.06 66.57 14.51 48.64 67.18 14.55 49.35 66.87 14.53 2 0 15.55 -999 ? CL CL A 237 >VAL~A 45 51.51 66.35 18.07 50.77 65.47 19.98 51.14 65.91 19.03 3 0 13.02 -999 ? CL CL A 237 >LEU~A 46 54.63 63.25 16.02 56.23 61.71 15.99 55.43 62.48 16.01 3 0 12.55 -999 ? CL CL A 237 >ALA~A 47 55.11 67.41 14.17 54.22 67.67 12.89 54.66 67.54 13.53 2 0 17.60 -999 ? CL CL A 237 >ASP~A 48 53.92 70.96 16.82 54.03 72.90 17.76 53.97 71.93 17.29 2 0 20.57 -999 ? CL CL A 237 >GLU~A 49 59.91 70.25 20.94 61.97 70.55 20.82 60.94 70.40 20.88 2 0 21.59 -999 ? CL CL A 237 >GLU~A 50 56.30 74.64 22.18 56.67 76.27 21.01 56.49 75.45 21.60 2 0 24.19 -999 ? CL CL A 237 >LEU~A 51 51.71 69.84 20.16 50.20 71.13 19.38 50.95 70.49 19.77 3 0 17.35 -999 ? CL CL A 237 >TYR~A 52 56.22 65.21 21.50 56.82 62.63 22.36 56.52 63.92 21.93 3 0 13.01 -999 ? CL CL A 237 >LEU~A 53 56.55 69.76 25.54 57.64 70.49 27.46 57.09 70.12 26.50 3 0 19.26 -999 ? CL CL A 237 >ALA~A 54 52.20 69.03 26.36 51.24 70.11 25.72 51.72 69.57 26.04 2 0 17.39 -999 ? CL CL A 237 >PHE~A 55 51.06 63.54 23.57 50.62 60.81 23.28 50.84 62.18 23.42 3 0 9.19 -999 ? CL CL A 237 >SER~A 56 54.12 63.88 26.89 55.97 63.74 25.42 55.04 63.81 26.15 2 0 13.09 -999 ? CL CL A 237 >GLU~A 57 54.64 67.61 30.35 54.83 69.68 30.61 54.73 68.64 30.48 2 0 19.52 -999 ? CL CL A 237 >TRP~A 58 46.38 63.95 29.63 46.45 60.86 27.19 46.41 62.40 28.41 3 0 11.56 -999 ? CL CL A 237 >PHE~A 59 51.41 58.98 27.46 51.64 56.16 27.31 51.52 57.57 27.39 3 0 7.56 -999 ? CL CL A 237 >SER~A 60 53.18 60.29 31.50 54.40 62.35 31.88 53.79 61.32 31.69 2 0 14.66 -999 ? CL CL A 237 >GLU~A 61 49.99 63.38 35.95 51.23 62.49 37.50 50.61 62.94 36.73 2 0 18.43 -999 ? CL CL A 237 >ALA~A 62 47.96 59.69 33.09 47.26 59.80 31.74 47.61 59.75 32.41 2 0 12.07 -999 ? CL CL A 237 >PHE~A 63 51.86 54.92 31.92 53.18 52.40 31.98 52.52 53.66 31.95 3 0 10.89 -999 ? CL CL A 237 >LEU~A 64 52.34 58.30 36.76 53.80 58.25 38.35 53.07 58.27 37.55 3 0 17.14 -999 ? CL CL A 237 >ASP~A 65 46.86 58.16 37.15 46.99 60.22 37.79 46.93 59.19 37.47 2 0 17.64 -999 ? CL CL A 237 >VAL~A 66 47.30 53.87 36.07 46.76 53.14 34.02 47.03 53.51 35.04 3 0 13.51 -999 ? CL CL A 237 >LEU~A 67 51.88 52.88 37.31 53.31 52.40 35.73 52.60 52.64 36.52 3 0 12.03 -999 ? O1 CAC A 241 >LYS~A 68 49.41 53.43 41.06 52.52 58.88 41.67 50.97 56.15 41.36 2 0 18.91 -999 ? O1 CAC A 241 >LYS~A 69 45.94 52.02 40.56 40.36 52.56 37.73 43.15 52.29 39.14 2 0 18.23 -999 ? CL CL A 237 >TYR~A 70 45.72 48.34 37.58 43.12 48.90 36.63 44.42 48.62 37.11 3 0 13.91 -999 ? O1 CAC A 241 >PRO.A 71 49.21 48.21 43.53 49.86 48.32 41.37 49.54 48.26 42.45 3 0 11.56 -999 ? O1 CAC A 241 >ASN.A 72 50.25 43.52 41.86 50.03 44.18 43.78 50.14 43.85 42.82 2 0 10.22 -999 ? O1 CAC A 241 >ASP.A 73 49.48 44.29 36.79 48.18 42.99 37.80 48.83 43.64 37.30 2 0 8.31 -999 ? O1 CAC A 241 >ARG.A 74 55.43 42.93 31.69 58.15 43.85 32.79 56.79 43.39 32.24 2 0 -4.37 -999 ? C1 CAC A 241s >PHE^A 75 50.53 48.74 33.23 48.26 48.59 34.81 49.39 48.66 34.02 3 0 10.30 -999 ? O1 CAC A 241 >ALA^A 76 52.98 47.54 28.00 52.67 46.36 27.05 52.82 46.95 27.53 2 0 6.26 -999 ? CA CA A 240 >ILE^A 77 53.62 52.27 27.16 54.22 52.97 28.23 53.92 52.62 27.70 3 0 7.85 -999 ? CL CL A 237 >ASN^A 78 52.45 51.76 21.77 51.38 50.00 21.99 51.92 50.88 21.88 2 0 2.88 -999 ? CA CA A 240s >ILE^A 79 57.55 54.21 22.47 58.35 55.12 23.42 57.95 54.67 22.95 3 0 9.20 -999 ? CL CL A 237 >ALA~A 80 56.90 54.93 17.88 55.96 55.87 17.03 56.43 55.40 17.46 2 0 8.78 -999 ? CL CL A 237 >PRO~A 81 60.19 53.38 15.35 59.87 54.93 16.94 60.03 54.15 16.15 3 0 12.02 -999 ? CA CA A 240 >GLN~A 82 59.52 58.31 13.40 58.52 56.48 13.26 59.02 57.39 13.33 2 0 13.12 -999 ? CL CL A 237 >GLN~A 83 56.75 59.28 19.91 55.45 58.15 21.19 56.10 58.72 20.55 2 0 8.10 -999 ? CL CL A 237 >LEU~A 84 63.48 57.62 20.13 62.87 55.90 21.33 63.17 56.76 20.73 3 0 14.67 -999 ? CL CL A 237 >PHE~A 85 64.19 61.41 15.90 65.23 59.57 14.05 64.71 60.49 14.98 3 0 18.56 -999 ? CL CL A 237 >TYR~A 86 60.21 65.17 20.16 58.91 66.73 18.23 59.56 65.95 19.19 3 0 16.66 -999 ? CL CL A 237 >ILE~A 87 65.43 65.68 24.75 65.98 67.03 24.62 65.71 66.36 24.69 3 0 21.43 -999 ? CL CL A 237 >GLU~A 88 59.91 67.15 25.57 60.82 67.97 23.74 60.36 67.56 24.66 2 0 18.94 -999 ? CL CL A 237 >THR~A 89 60.43 61.19 25.51 59.81 60.12 23.76 60.12 60.65 24.64 2 0 12.98 -999 ? CL CL A 237 >LEU~A 90 64.98 60.13 26.86 64.96 58.60 25.33 64.97 59.37 26.09 3 0 17.68 -999 ? CL CL A 237 >HIS~A 91 62.27 64.83 31.11 62.11 65.82 32.95 62.19 65.32 32.03 3 0 20.65 -999 ? CL CL A 237 >TRP~A 92 57.59 61.46 28.00 56.45 57.71 27.97 57.02 59.59 27.99 3 0 12.01 -999 ? CL CL A 237 >LEU~A 93 61.51 56.80 29.51 60.39 55.54 28.00 60.95 56.17 28.75 3 0 14.23 -999 ? CL CL A 237 >ASP~A 94 64.51 59.78 32.87 65.75 60.04 34.57 65.13 59.91 33.72 2 0 21.22 -999 ? C1 CAC A 241 >LYS~A 95 60.88 60.06 35.45 63.48 63.13 34.39 62.18 61.60 34.92 2 0 21.66 -999 ? CL CL A 237 >LEU~A 96 57.88 56.40 34.41 56.04 57.54 34.08 56.96 56.97 34.25 3 0 15.35 -999 ? CL CL A 237 >LYS~A 97 62.07 54.71 35.93 67.16 57.88 37.64 64.61 56.29 36.78 2 0 19.96 -999 ? C1 CAC A 241 >SER~A 98 61.23 53.47 39.49 59.48 54.91 40.31 60.35 54.19 39.90 2 0 14.76 -999 ? O1 CAC A 241 >GLU~A 99 56.50 52.73 38.67 56.38 51.66 40.49 56.44 52.19 39.58 2 0 11.37 -999 ? O1 CAC A 241 >SER~A 100 60.53 50.30 34.78 63.00 50.37 35.12 61.77 50.34 34.95 2 0 11.21 -999 ? C1 CAC A 241 >HIS~A 101 60.44 47.04 38.76 59.15 47.76 40.24 59.79 47.40 39.50 3 0 7.99 -999 ? O1 CAC A 241 >ARG.A 102 54.93 47.46 38.42 52.57 49.36 38.93 53.75 48.41 38.68 2 0 9.36 -999 ? O1 CAC A 241 >ILE^A 103 57.07 49.78 32.25 56.75 51.07 32.33 56.91 50.42 32.29 3 0 10.08 -999 ? O1 CAC A 241 >THR^A 104 57.41 46.91 28.75 57.13 45.00 27.93 57.27 45.95 28.34 2 0 7.87 -999 ? O2 CAC A 241 >VAL^A 105 58.18 49.42 26.00 59.40 51.26 25.95 58.79 50.34 25.97 3 0 9.40 -999 ? CA CA A 240 >GLU^A 106 54.88 46.55 23.70 53.05 45.50 23.30 53.97 46.03 23.50 2 0 -3.35 -999 ? CA CA A 240s >MET?A 107 58.58 49.67 19.88 60.92 51.59 21.25 59.75 50.63 20.56 2 0 10.42 -999 ? CA CA A 240 >THR^A 108 55.92 50.06 17.19 54.76 51.90 17.67 55.34 50.98 17.43 2 0 6.58 -999 ? CA CA A 240 >GLU^A 109 54.07 48.52 12.47 52.77 48.01 14.02 53.42 48.26 13.24 2 0 7.14 -999 ? CA CA A 240 >ASP^A 110 54.56 54.05 13.68 52.75 53.49 14.63 53.66 53.77 14.16 2 0 8.00 -999 ? CL CL A 237 >ILE^A 111 56.80 54.69 8.50 57.45 54.05 7.36 57.12 54.37 7.93 3 0 13.47 -999 ? CL CL A 238 >PHE^A 112 54.34 58.27 13.07 52.16 56.85 14.08 53.25 57.56 13.57 3 0 10.09 -999 ? CL CL A 237 >ASP^A 113 56.87 63.10 9.35 55.70 62.77 7.61 56.29 62.94 8.48 2 0 14.65 -999 ? CL CL B 238 >VAL^A 114 60.72 62.62 11.83 62.69 61.63 11.71 61.71 62.12 11.77 3 0 18.38 -999 ? CL CL A 237 >PRO^A 115 60.45 64.52 15.83 60.61 65.16 13.69 60.53 64.84 14.76 3 0 17.72 -999 ? CL CL A 237 >GLY^A 116 62.12 68.68 11.91 62.44 68.42 12.58 62.28 68.55 12.25 1 0 19.72 -999 ? CL CL B 238 >HIS^A 117 64.75 68.71 16.53 64.02 67.23 17.81 64.39 67.97 17.17 3 0 21.74 -999 ? CL CL A 237 >LYS^A 118 66.44 65.80 13.28 69.45 65.73 17.73 67.94 65.76 15.50 2 0 24.28 -999 ? CL CL A 237 >ARG^A 119 62.12 66.30 8.23 60.33 68.73 9.07 61.23 67.51 8.65 2 0 16.46 -999 ? CL CL B 238 >HIS^A 120 70.40 67.71 10.71 70.91 67.44 12.72 70.66 67.58 11.72 3 0 23.47 -999 ? CL CL B 236 >LEU^A 121 70.16 62.67 11.07 70.89 63.09 13.13 70.53 62.88 12.10 3 0 21.25 -999 ? CL CL B 236 >ASN^A 122 72.27 60.67 6.16 73.85 59.56 7.03 73.06 60.12 6.59 2 0 15.60 -999 ? CL CL B 236 >ALA^A 123 69.18 57.56 7.19 68.62 56.74 5.97 68.90 57.15 6.58 2 0 13.40 -999 ? CL CL B 236 >ASN^A 124 73.58 55.62 8.11 73.59 54.20 6.49 73.58 54.91 7.30 2 0 13.68 -999 ? CL CL B 236 >ASP^A 125 73.21 59.95 11.17 75.27 59.94 10.45 74.24 59.95 10.81 2 0 19.13 -999 ? CL CL B 236 >LYS^A 126 68.93 58.53 12.15 66.37 61.93 8.35 67.65 60.23 10.25 2 0 18.00 -999 ? CL CL B 236 >ASN^A 127 69.40 53.60 11.78 67.83 53.16 10.44 68.61 53.38 11.11 2 0 14.68 -999 ? CL CL A 238 >ALA^A 128 72.14 55.12 15.05 73.50 55.65 14.64 72.82 55.39 14.85 2 0 21.12 -999 ? CL CL A 238 >PHE^A 129 69.38 60.23 17.41 68.36 62.06 19.21 68.87 61.15 18.31 3 0 21.66 -999 ? CL CL A 237 >ILE^A 130 66.31 55.16 16.53 65.10 55.72 16.96 65.70 55.44 16.74 3 0 16.98 -999 ? CA CA A 240 >LEU^A 131 70.49 52.04 17.61 71.05 49.93 17.87 70.77 50.99 17.74 3 0 17.88 -999 ? CL CL A 238 >ASN^A 132 71.98 56.21 20.79 72.64 57.04 22.58 72.31 56.62 21.68 2 0 23.40 -999 ? CA CA A 240 >LYS^A 133 67.98 55.93 22.66 69.98 59.67 20.99 68.98 57.80 21.82 2 0 21.98 -999 ? CL CL A 237 >ILE^A 134 66.70 51.38 21.63 65.81 50.44 20.89 66.26 50.91 21.26 3 0 15.27 -999 ? CA CA A 240 >LYS^A 135 70.14 51.51 24.62 76.27 53.31 24.83 73.20 52.41 24.73 2 0 24.23 -999 ? C1 CAC A 241 >VAL^A 136 69.20 54.24 27.10 69.28 56.44 27.10 69.24 55.35 27.10 3 0 20.17 -999 ? C1 CAC A 241 >ILE^A 137 64.60 52.78 26.59 63.39 53.13 25.94 64.00 52.96 26.27 3 0 14.76 -999 ? CA CA A 240 >HIS^A 138 68.68 47.37 27.56 69.77 45.71 28.23 69.23 46.54 27.90 3 0 14.23 -999 ? C1 CAC A 241 >GLY^A 139 69.71 50.96 30.55 68.90 50.99 30.59 69.31 50.97 30.57 1 0 16.13 -999 ? C1 CAC A 241 >LEU^A 140 65.90 53.32 32.16 66.17 55.48 32.20 66.04 54.40 32.18 3 0 16.37 -999 ? C1 CAC A 241 >GLY^A 141 65.65 48.69 33.13 65.26 49.14 32.57 65.46 48.92 32.85 1 0 11.27 -999 ? C1 CAC A 241 >TYR^A 142 61.65 51.05 30.55 60.78 53.31 31.94 61.21 52.18 31.24 3 0 12.92 -999 ? C1 CAC A 241 >HIS^A 143 61.03 43.40 30.37 61.43 41.93 31.82 61.23 42.67 31.10 3 0 5.26 -999 ? C1 CAC A 241 >ILE^A 144 62.92 47.01 24.75 63.59 48.25 24.34 63.26 47.63 24.55 3 0 12.36 -999 ? CA CA A 240 >ALA^A 145 59.50 44.44 22.91 58.09 43.93 23.38 58.79 44.18 23.14 2 0 7.84 -999 ? CA CA A 240 >ILE^A 146 60.28 44.35 18.05 61.01 45.50 17.85 60.65 44.92 17.95 3 0 10.00 -999 ? CA CA A 240 >ASP^A 147 54.71 46.17 18.61 52.72 45.63 18.98 53.72 45.90 18.80 2 0 -2.91 -999 ? CA CA A 240s >ASP^A 148 53.15 44.81 14.56 51.34 45.13 15.68 52.24 44.97 15.12 2 0 5.74 -999 ? CA CA A 240 >VAL^A 149 57.13 42.11 13.53 58.04 40.55 14.77 57.59 41.33 14.15 3 0 6.99 -999 ? CL CL A 238 >SER^A 150 57.04 41.88 9.69 57.92 39.67 9.49 57.48 40.77 9.59 2 0 -3.13 -999 ? CL CL A 238s >CYH^A 151 54.79 44.92 9.74 52.57 43.54 10.73 53.68 44.23 10.24 2 0 8.29 -999 ? CL CL A 238 >GLY^A 152 55.66 48.60 9.04 56.13 47.86 8.92 55.90 48.23 8.98 1 0 8.64 -999 ? CL CL A 238 >LEU^A 153 60.03 50.57 9.80 60.07 51.67 11.68 60.05 51.12 10.74 3 0 10.44 -999 ? CL CL A 238 >ASN^A 154 58.76 46.03 13.25 58.97 47.49 14.79 58.87 46.76 14.02 2 0 9.65 -999 ? CL CL A 238 >SER^A 155 61.41 43.99 9.45 62.97 45.53 8.35 62.19 44.76 8.90 2 0 5.41 -999 ? CL CL A 238 >LEU^A 156 64.19 40.07 9.51 65.26 38.33 9.93 64.72 39.20 9.72 3 0 5.70 -999 ? CL CL A 238 >GLU^A 157 68.24 45.58 8.31 68.24 46.67 6.50 68.24 46.13 7.40 2 0 10.09 -999 ? CL CL A 238 >ARG^A 158 62.94 49.00 13.10 64.09 51.65 12.20 63.52 50.32 12.65 2 0 12.22 -999 ? CL CL A 238 >VAL^A 159 64.88 43.47 14.75 63.34 42.00 15.12 64.11 42.74 14.94 3 0 8.68 -999 ? CL CL A 238 >MET?A 160 68.50 42.44 14.19 69.49 39.40 13.76 69.00 40.92 13.98 2 0 11.62 -999 ? CL CL A 238 >SER^A 161 69.65 46.00 14.83 68.17 47.75 14.11 68.91 46.88 14.47 2 0 12.47 -999 ? CL CL A 238 >TYR^A 162 65.39 47.59 17.62 63.92 49.77 16.58 64.66 48.68 17.10 3 0 13.07 -999 ? CL CL A 238 >LEU^A 163 69.42 41.78 18.41 68.75 39.80 18.24 69.08 40.79 18.33 3 0 14.21 -999 ? CL CL A 238 >PRO^A 164 72.56 44.50 20.70 70.74 43.62 21.51 71.65 44.06 21.11 3 0 18.22 -999 ? CL CL A 238 >TYR^A 165 69.73 47.67 23.34 72.36 48.52 23.08 71.05 48.10 23.21 3 0 18.82 -999 ? C1 CAC A 241 >ILE^A 166 64.45 43.46 22.05 64.41 43.49 20.62 64.43 43.47 21.33 3 0 13.56 -999 ? CA CA A 240 >ILE^A 167 63.38 40.88 26.88 63.25 40.04 27.24 63.31 40.46 27.06 3 0 9.10 -999 ? C1 CAC A 241 >GLU^A 168 57.92 40.28 23.84 56.42 41.20 25.13 57.17 40.74 24.49 2 0 8.71 -999 ? O2 CAC A 241 >ILE^A 169 60.07 39.41 18.60 61.31 38.71 18.12 60.69 39.06 18.36 3 0 11.07 -999 ? CL CL A 238 >LYS^A 170 55.45 39.98 18.99 51.97 43.51 21.66 53.71 41.74 20.32 2 0 3.89 -999 ? CA CA A 240 >PHE^A 171 53.85 37.08 13.91 53.27 36.63 11.24 53.56 36.85 12.57 3 0 9.15 -999 ? CL CL A 238 >SER^A 172 50.21 39.88 15.26 48.60 41.56 15.22 49.40 40.72 15.24 2 0 8.62 -999 ? CA CA A 240 >LEU^A 173 47.07 36.44 13.79 47.77 34.46 14.06 47.42 35.45 13.92 3 0 10.42 -999 ? CL CL A 239 >ILE^A 174 45.25 41.57 14.12 44.70 42.14 15.18 44.97 41.86 14.65 3 0 10.45 -999 ? CL CL A 239 >HIS^A 175 49.04 44.05 12.01 48.72 45.48 13.50 48.88 44.77 12.75 3 0 8.98 -999 ? CA CA A 240 >PHE^A 176 50.22 39.30 8.59 52.65 40.65 8.89 51.44 39.97 8.74 3 0 -5.93 -999 ? CL CL A 239s >LYS^A 177 44.08 38.53 7.52 39.54 39.39 7.51 41.81 38.96 7.52 2 0 8.22 -999 ? CL CL A 239 >ASN^A 178 44.21 38.97 2.80 42.61 40.30 3.32 43.41 39.64 3.06 2 0 -4.76 -999 ? CL CL A 239s >ILE^A 179 48.84 35.73 4.68 50.35 36.08 4.45 49.59 35.90 4.56 3 0 -4.83 -999 ? CL CL A 239s >PRO^A 180 46.54 31.84 1.57 46.67 32.44 3.70 46.61 32.14 2.63 3 0 8.21 -999 ? CL CL A 239 >LEU^A 181 46.52 29.97 8.38 46.48 30.61 10.43 46.50 30.29 9.41 3 0 10.94 -999 ? CL CL A 239 >GLU^A 182 49.24 26.71 3.57 49.14 24.89 2.43 49.19 25.80 3.00 2 0 15.48 -999 ? CL CL A 239 >ASP^A 183 51.26 31.19 2.91 50.38 30.16 1.23 50.82 30.67 2.07 2 0 10.96 -999 ? CL CL A 239 >LEU^A 184 50.42 33.28 7.86 50.24 35.35 8.51 50.33 34.31 8.18 3 0 7.49 -999 ? CL CL A 239 >LEU^A 185 52.02 28.36 9.45 50.49 27.57 10.85 51.25 27.97 10.15 3 0 12.33 -999 ? CL CL A 236 >LEU^A 186 56.45 29.33 6.24 56.31 27.39 5.32 56.38 28.36 5.78 3 0 13.40 -999 ? CL CL A 238 >PHE^A 187 56.34 34.78 6.88 56.80 35.36 4.20 56.57 35.07 5.54 3 0 7.22 -999 ? CL CL A 238 >ILE^A 188 54.19 32.02 12.66 52.94 32.16 13.35 53.56 32.09 13.01 3 0 9.64 -999 ? CL CL A 236 >LYS^A 189 57.88 29.39 12.43 60.40 24.76 10.65 59.14 27.08 11.54 2 0 9.43 -999 ? CL CL A 236 >ALA^A 190 60.87 31.51 11.23 60.95 32.30 9.90 60.91 31.91 10.56 2 0 9.26 -999 ? CL CL A 238 >TRP^A 191 58.42 36.45 11.92 61.34 38.98 12.68 59.88 37.71 12.30 3 0 5.89 -999 ? CL CL A 238 >ALA^A 192 59.66 31.43 16.57 58.63 30.28 16.53 59.15 30.86 16.55 2 0 3.88 -999 ? CL CL A 236 >ASN^A 193 63.39 29.22 14.55 65.36 28.50 14.48 64.37 28.86 14.52 2 0 7.88 -999 ? CL CL A 236 >PHE^A 194 65.09 35.82 15.05 66.58 38.16 15.47 65.83 36.99 15.26 3 0 10.63 -999 ? CL CL A 238 >ALA^A 195 63.31 34.09 19.19 61.85 34.10 19.57 62.58 34.10 19.38 2 0 6.73 -999 ? CL CL A 236 >GLN^A 196 62.80 28.93 20.67 62.77 29.14 22.77 62.78 29.03 21.72 2 0 4.93 -999 ? CL CL A 236 >LYS^A 197 68.02 31.12 19.14 68.99 27.40 15.39 68.50 29.26 17.26 2 0 10.52 -999 ? CL CL A 236 >ASN^A 198 67.92 35.78 19.69 69.01 35.76 17.83 68.47 35.77 18.76 2 0 12.61 -999 ? CL CL A 236 >LYS^A 199 66.56 33.79 23.98 71.24 31.07 24.56 68.90 32.43 24.27 2 0 13.35 -999 ? CL CL A 236 >LEU^A 200 63.55 36.94 22.00 64.94 38.48 21.29 64.24 37.71 21.64 3 0 11.21 -999 ? CL CL A 236 >ASP^A 201 59.45 36.47 25.57 60.12 35.86 27.53 59.79 36.16 26.55 2 0 8.49 -999 ? O2 CAC A 241 >PHE^A 202 57.51 34.13 19.07 56.36 34.25 16.51 56.93 34.19 17.79 3 0 6.96 -999 ? CL CL A 236 >VAL^A 203 54.25 36.44 21.56 53.58 37.92 23.10 53.92 37.18 22.33 3 0 10.51 -999 ? CA CA A 240 >VAL^A 204 51.56 35.68 18.98 51.49 34.04 17.64 51.53 34.86 18.31 3 0 10.53 -999 ? CL CL A 236 >GLU^A 205 49.56 40.07 20.49 49.53 42.11 20.80 49.54 41.09 20.65 2 0 5.53 -999 ? CA CA A 240 >GLY^A 206 45.22 37.96 17.71 45.53 37.26 18.03 45.38 37.61 17.87 1 0 11.68 -999 ? CA CA A 240 >ILE^A 207 45.34 33.29 19.11 46.22 32.15 19.27 45.78 32.72 19.19 3 0 14.38 -999 ? CL CL A 236 >GLU^A 208 38.69 34.45 16.46 38.77 36.58 16.71 38.73 35.52 16.59 2 0 15.17 -999 ? CL CL A 239 >THR^A 209 40.50 30.45 19.66 38.93 30.11 18.21 39.71 30.28 18.93 2 0 18.80 -999 ? CL CL A 239 >THR^A 212 44.85 27.79 16.19 44.51 29.85 15.76 44.68 28.82 15.98 2 0 15.39 -999 ? CL CL A 236 >MET?A 213 47.23 26.78 18.98 47.78 29.26 21.09 47.50 28.02 20.04 2 0 11.73 -999 ? CL CL A 236 >THR^A 214 47.34 23.19 17.73 46.05 21.51 17.86 46.70 22.35 17.79 2 0 14.80 -999 ? CL CL A 236 >LEU^A 215 47.29 25.48 13.57 46.90 25.37 11.46 47.10 25.42 12.52 3 0 14.28 -999 ? CL CL A 236 >LEU^A 216 50.77 27.76 16.61 49.87 29.63 15.81 50.32 28.69 16.21 3 0 9.61 -999 ? CL CL A 236 >SER^A 218 52.03 21.15 14.68 50.31 21.69 13.10 51.17 21.42 13.89 2 0 12.65 -999 ? CL CL A 236 >HIS^A 219 52.20 24.00 11.06 50.31 23.29 10.47 51.26 23.65 10.77 3 0 12.60 -999 ? CL CL A 236 >GLY^A 220 57.18 24.03 15.00 56.54 24.46 15.10 56.86 24.25 15.05 1 0 6.28 -999 ? CL CL A 236 >VAL^A 221 55.92 27.02 16.95 54.84 28.74 16.23 55.38 27.88 16.59 3 0 4.89 -999 ? CL CL A 236 >SER^A 222 56.74 25.24 20.23 57.67 23.17 21.06 57.21 24.21 20.65 2 0 -5.22 -999 ? CL CL A 236s >ILE^A 223 58.88 27.94 23.54 59.85 27.65 24.55 59.36 27.80 24.04 3 0 -4.56 -999 ? CL CL A 236s >PHE^A 224 53.71 30.59 20.85 51.43 29.14 20.11 52.57 29.87 20.48 3 0 7.10 -999 ? CL CL A 236 >GLN^A 225 52.01 35.10 26.16 51.10 33.88 27.61 51.56 34.49 26.89 2 0 9.76 -999 ? O2 CAC A 241 >GLY^A 226 49.50 33.26 22.82 49.58 33.57 23.62 49.54 33.42 23.22 1 0 11.68 -999 ? CL CL A 236 >TYR^A 227 48.72 37.91 24.36 50.76 38.73 26.11 49.74 38.32 25.24 3 0 10.08 -999 ? CA CA A 240 >LEU^A 228 42.29 35.78 23.80 41.68 33.88 24.46 41.99 34.83 24.13 3 0 15.95 -999 ? CA CA A 240 >VAL^A 229 41.49 38.73 20.72 40.97 38.89 18.63 41.23 38.81 19.67 3 0 13.33 -999 ? CA CA A 240 >ASN^A 230 39.88 40.65 24.54 41.66 41.37 25.41 40.77 41.01 24.98 2 0 12.25 -999 ? CA CA A 240 >LYS^A 231 38.24 44.58 23.25 34.35 44.19 19.81 36.30 44.38 21.53 2 0 17.33 -999 ? CL CL A 237 >PRO^A 232 41.14 47.88 22.80 39.98 46.90 24.46 40.56 47.39 23.63 3 0 10.47 -999 ? CL CL A 237 >PHE^A 233 38.00 47.91 29.24 39.40 46.16 30.94 38.70 47.04 30.09 3 0 14.69 -999 ? CL CL A 237 >PRO^A 234 36.59 53.58 28.37 38.45 52.45 28.78 37.52 53.02 28.58 3 0 13.35 -999 ? CL CL A 237 >VAL^A 235 41.20 52.99 32.00 42.86 54.31 31.49 42.03 53.65 31.74 3 0 12.22 -999 ? CL CL A 237 >PHE^B 6 74.17 62.26 -7.99 72.75 62.86 -5.75 73.46 62.56 -6.87 3 0 9.84 -999 ? CL CL B 236 >GLN^B 7 79.32 58.11 -10.80 81.34 57.69 -11.33 80.33 57.90 -11.07 2 0 12.56 -999 ? CL CL B 236 >LEU^B 8 74.67 55.59 -13.95 72.59 56.13 -14.04 73.63 55.86 -13.99 3 0 8.28 -999 ? CL CL B 236 >PHE^B 9 79.06 52.44 -10.68 81.60 53.47 -10.11 80.33 52.95 -10.40 3 0 10.43 -999 ? CL CL B 236 >ILE^B 10 75.96 48.55 -15.17 76.16 48.55 -16.47 76.06 48.55 -15.82 3 0 11.53 -999 ? CL CL B 236 >GLN^B 11 75.99 44.17 -9.84 75.68 44.06 -7.70 75.83 44.12 -8.77 2 0 8.22 -999 ? CA CA B 237 >PRO^B 12 77.56 43.28 -15.16 75.69 43.27 -13.96 76.63 43.28 -14.56 3 0 12.55 -999 ? CA CA B 237 >LYS^B 13 73.26 40.12 -12.50 70.92 42.95 -8.49 72.09 41.53 -10.49 2 0 5.45 -999 ? CA CA B 237 >LEU^B 14 76.32 36.69 -12.75 77.77 37.77 -14.00 77.04 37.23 -13.38 3 0 14.34 -999 ? O2 CAC B 239 >ASP^B 15 72.39 32.59 -13.74 71.27 30.92 -13.04 71.83 31.76 -13.39 2 0 12.91 -999 ? O2 CAC B 239 >VAL^B 16 74.68 31.41 -9.90 74.46 31.35 -7.71 74.57 31.38 -8.81 3 0 16.85 -999 ? O2 CAC B 239 >LEU^B 17 73.16 27.28 -11.80 72.72 25.87 -10.18 72.94 26.58 -10.99 3 0 17.85 -999 ? O2 CAC B 239 >GLN^B 18 73.04 29.08 -15.97 71.54 28.62 -17.39 72.29 28.85 -16.68 2 0 12.83 -999 ? C2 CAC B 239 >GLY^B 19 76.72 32.54 -15.14 76.10 32.38 -15.60 76.41 32.46 -15.37 1 0 15.11 -999 ? O2 CAC B 239 >ASN^B 20 73.41 33.37 -18.63 71.86 32.71 -17.39 72.64 33.04 -18.01 2 0 10.36 -999 ? C2 CAC B 239 >ILE^B 21 74.18 38.91 -18.38 74.95 40.03 -18.63 74.56 39.47 -18.50 3 0 10.51 -999 ? O2 CAC B 239 >VAL^B 22 69.92 37.85 -16.45 68.82 36.72 -15.02 69.37 37.29 -15.73 3 0 6.69 -999 ? O2 CAC B 239 >GLU^B 23 68.40 41.77 -14.11 66.53 42.00 -13.09 67.46 41.88 -13.60 2 0 6.60 -999 ? O2 CAC B 239 >TYR^B 24 73.11 44.94 -17.50 74.56 43.73 -19.57 73.84 44.34 -18.53 3 0 10.72 -999 ? O2 CAC B 239 >GLU^B 25 70.30 47.16 -9.90 70.53 46.47 -7.93 70.41 46.82 -8.91 2 0 -3.05 -999 ? CA CA B 237s >ILE^B 26 70.69 51.49 -13.16 71.51 51.96 -14.18 71.10 51.72 -13.67 3 0 7.04 -999 ? CL CL B 236 >LEU^B 27 74.21 51.13 -8.55 73.87 49.11 -7.78 74.04 50.12 -8.16 3 0 4.83 -999 ? CL CL B 236 >LEU^B 28 72.64 56.59 -7.41 72.04 58.00 -9.01 72.34 57.30 -8.21 3 0 -4.73 -999 ? CL CL B 236s >ARG^B 29 78.41 53.63 -6.09 76.66 51.21 -5.34 77.54 52.42 -5.72 2 0 6.59 -999 ? CL CL B 236 >ASP^B 30 79.41 60.00 -4.61 80.74 58.75 -3.51 80.07 59.37 -4.06 2 0 12.09 -999 ? CL CL B 236 >ASP^B 31 82.26 62.50 -8.31 82.12 64.01 -6.76 82.19 63.26 -7.53 2 0 15.87 -999 ? CL CL B 236 >SER^B 32 84.34 59.63 -4.97 83.78 59.39 -2.60 84.06 59.51 -3.79 2 0 15.23 -999 ? CL CL B 236 >ALA^B 33 87.88 58.33 -4.94 88.76 58.55 -3.71 88.32 58.44 -4.32 2 0 19.26 -999 ? CL CL B 236 >VAL^B 34 86.25 54.99 -4.28 86.20 53.71 -2.50 86.22 54.35 -3.39 3 0 16.10 -999 ? CL CL B 236 >PRO^B 35 83.46 55.33 -7.52 83.31 55.32 -5.28 83.38 55.33 -6.40 3 0 13.04 -999 ? CL CL B 236 >ARG^B 36 80.69 56.89 0.37 81.13 59.52 1.97 80.91 58.21 1.17 2 0 15.15 -999 ? CL CL B 236 >PHE^B 37 73.75 54.69 -2.28 71.12 55.63 -2.48 72.43 55.16 -2.38 3 0 5.21 -999 ? CL CL B 236 >PRO^B 38 74.71 59.06 -4.46 75.59 58.27 -2.54 75.15 58.67 -3.50 3 0 7.91 -999 ? CL CL B 236 >LEU^B 39 73.43 57.79 1.93 71.87 56.99 3.20 72.65 57.39 2.57 3 0 10.50 -999 ? CL CL B 236 >SER^B 40 73.42 62.22 2.14 75.68 63.11 2.07 74.55 62.66 2.11 2 0 14.28 -999 ? CL CL B 236 >GLU^B 41 75.97 64.06 -1.99 77.12 62.43 -1.12 76.54 63.25 -1.55 2 0 12.71 -999 ? CL CL B 236 >LEU^B 42 70.22 60.42 -2.67 68.72 59.32 -3.81 69.47 59.87 -3.24 3 0 7.67 -999 ? CL CL B 236 >GLU^B 43 68.91 60.91 2.37 68.84 60.30 4.34 68.87 60.61 3.36 2 0 13.34 -999 ? CL CL B 236 >ALA^B 44 69.47 66.54 0.12 70.89 67.16 0.00 70.18 66.85 0.06 2 0 15.57 -999 ? CL CL B 236 >VAL^B 45 67.93 66.24 -3.35 68.61 65.57 -5.33 68.27 65.90 -4.34 3 0 13.17 -999 ? CL CL B 236 >LEU^B 46 64.86 63.13 -1.28 63.43 61.50 -1.39 64.14 62.31 -1.34 3 0 11.26 -999 ? CL CL B 238 >ALA^B 47 64.34 67.40 0.48 65.26 67.60 1.75 64.80 67.50 1.12 2 0 13.03 -999 ? CL CL B 238 >ASP^B 48 65.49 70.89 -2.28 65.38 72.79 -3.23 65.43 71.84 -2.75 2 0 12.24 -999 ? CL CL B 238 >GLU^B 49 59.44 70.21 -6.36 57.49 71.11 -6.27 58.46 70.66 -6.31 2 0 4.87 -999 ? CL CL B 238 >GLU^B 50 63.08 74.40 -7.63 62.85 76.14 -6.49 62.97 75.27 -7.06 2 0 12.07 -999 ? CL CL B 238 >LEU^B 51 67.66 69.71 -5.46 69.09 71.07 -4.69 68.38 70.39 -5.08 3 0 13.74 -999 ? CL CL B 238 >TYR^B 52 63.28 64.95 -6.82 62.66 62.36 -7.58 62.97 63.65 -7.20 3 0 8.44 -999 ? CL CL B 238 >LEU^B 53 62.91 69.45 -10.82 61.94 70.03 -12.77 62.42 69.74 -11.80 3 0 9.46 -999 ? CL CL B 238 >ALA^B 54 67.28 68.69 -11.70 68.27 69.59 -11.09 67.77 69.14 -11.39 2 0 14.15 -999 ? CL CL B 238 >PHE^B 55 68.38 63.25 -8.75 68.83 60.49 -8.56 68.61 61.87 -8.66 3 0 9.11 -999 ? CL CL B 236 >SER^B 56 65.40 63.63 -12.08 63.60 63.45 -10.49 64.50 63.54 -11.29 2 0 9.93 -999 ? CL CL B 238 >GLU^B 57 64.81 67.27 -15.68 64.57 69.29 -16.02 64.69 68.28 -15.85 2 0 13.63 -999 ? CL CL B 238 >TRP^B 58 73.08 63.63 -14.88 73.00 60.60 -12.35 73.04 62.12 -13.61 3 0 11.53 -999 ? CL CL B 236 >PHE^B 59 68.04 58.66 -12.66 67.83 55.91 -12.50 67.93 57.29 -12.58 3 0 7.56 -999 ? CL CL B 236 >SER^B 60 66.26 59.94 -16.74 65.06 61.96 -17.22 65.66 60.95 -16.98 2 0 14.69 -999 ? CL CL B 236 >GLU^B 61 69.36 62.91 -21.25 68.02 62.10 -22.77 68.69 62.51 -22.01 2 0 18.47 -999 ? CL CL B 236 >ALA^B 62 71.54 59.24 -18.35 72.26 59.39 -17.03 71.90 59.32 -17.69 2 0 12.10 -999 ? CL CL B 236 >PHE^B 63 67.65 54.54 -17.05 66.41 51.99 -17.11 67.03 53.26 -17.08 3 0 10.86 -999 ? CL CL B 236 >LEU^B 64 67.10 57.72 -21.92 65.69 57.74 -23.53 66.40 57.73 -22.73 3 0 17.07 -999 ? CL CL B 236 >ASP^B 65 72.56 57.67 -22.37 72.40 59.71 -22.98 72.48 58.69 -22.68 2 0 17.55 -999 ? CL CL B 236 >VAL^B 66 72.23 53.37 -21.17 72.72 52.71 -19.13 72.47 53.04 -20.15 3 0 13.49 -999 ? CL CL B 236 >LEU^B 67 67.61 52.37 -22.43 66.15 51.89 -20.83 66.88 52.13 -21.63 3 0 11.98 -999 ? O1 CAC B 239 >LYS^B 68 70.09 52.94 -26.09 67.12 58.43 -26.92 68.61 55.69 -26.51 2 0 19.01 -999 ? O1 CAC B 239 >LYS^B 69 73.57 51.50 -25.70 78.97 52.28 -22.59 76.27 51.89 -24.15 2 0 17.92 -999 ? CL CL B 236 >TYR^B 70 73.80 47.87 -22.58 76.36 48.47 -21.69 75.08 48.17 -22.13 3 0 14.15 -999 ? O2 CAC B 239 >PRO^B 71 70.22 47.62 -28.55 69.66 47.79 -26.38 69.94 47.70 -27.46 3 0 11.88 -999 ? O1 CAC B 239 >ASN^B 72 69.31 43.00 -26.78 69.54 43.62 -28.76 69.43 43.31 -27.77 2 0 10.67 -999 ? C2 CAC B 239 >ASP^B 73 70.03 43.78 -21.75 71.37 42.72 -23.00 70.70 43.25 -22.37 2 0 8.74 -999 ? C2 CAC B 239 >ARG^B 74 64.11 42.44 -16.55 61.41 43.39 -17.69 62.76 42.92 -17.12 2 0 -4.28 -999 ? O1 CAC B 239s >PHE^B 75 69.01 48.31 -18.23 71.27 48.04 -19.79 70.14 48.18 -19.01 3 0 10.25 -999 ? O2 CAC B 239 >ALA^B 76 66.54 47.19 -13.03 66.93 46.07 -12.06 66.74 46.63 -12.55 2 0 6.21 -999 ? CA CA B 237 >ILE^B 77 65.90 51.96 -12.24 65.32 52.58 -13.36 65.61 52.27 -12.80 3 0 7.81 -999 ? CL CL B 236 >ASN^B 78 67.17 51.48 -6.90 68.17 49.68 -7.06 67.67 50.58 -6.98 2 0 2.88 -999 ? CA CA B 237s >ILE^B 79 62.03 53.98 -7.58 61.18 54.79 -8.49 61.61 54.39 -8.03 3 0 9.10 -999 ? CL CL B 236 >ALA^B 80 62.66 54.72 -2.98 63.61 55.69 -2.15 63.13 55.21 -2.56 2 0 8.72 -999 ? CL CL B 236 >PRO^B 81 59.35 53.18 -0.47 59.70 54.76 -2.03 59.53 53.97 -1.25 3 0 12.12 -999 ? CA CA B 237 >GLN^B 82 60.03 58.16 1.52 61.11 56.33 1.53 60.57 57.25 1.52 2 0 12.98 -999 ? CL CL B 236 >GLN^B 83 62.78 59.00 -5.12 64.07 57.88 -6.35 63.43 58.44 -5.74 2 0 8.01 -999 ? CL CL B 236 >LEU^B 84 56.17 57.32 -5.34 56.67 55.47 -6.45 56.42 56.40 -5.90 3 0 10.52 -999 ? CL CL B 238 >PHE^B 85 55.34 61.17 -1.08 54.28 59.30 0.74 54.81 60.24 -0.17 3 0 -9.12 -999 ? CL CL B 238s >TYR^B 86 59.27 64.94 -5.43 60.53 66.52 -3.54 59.90 65.73 -4.49 3 0 -5.23 -999 ? CL CL B 238s >ILE^B 87 53.98 65.12 -10.02 53.23 66.40 -9.86 53.60 65.76 -9.94 3 0 -3.97 -999 ? CL CL B 238s >THR^B 89 59.09 60.77 -10.69 59.70 59.71 -8.96 59.39 60.24 -9.83 2 0 8.79 -999 ? CL CL B 238 >LEU^B 90 54.55 59.64 -11.91 54.66 58.27 -10.23 54.61 58.96 -11.07 3 0 9.14 -999 ? CL CL B 238 >HIS^B 91 57.17 64.30 -16.33 57.50 65.43 -18.07 57.34 64.87 -17.20 3 0 11.13 -999 ? CL CL B 238 >TRP^B 92 61.85 61.05 -13.17 63.09 57.33 -13.16 62.47 59.19 -13.17 3 0 11.91 -999 ? CL CL B 236 >LEU^B 93 57.99 56.32 -14.64 59.19 55.19 -13.07 58.59 55.76 -13.86 3 0 13.75 -999 ? CL CL B 238 >ASP^B 94 55.04 59.26 -18.08 53.76 59.46 -19.76 54.40 59.36 -18.92 2 0 15.28 -999 ? CL CL B 238 >LYS^B 95 58.64 59.47 -20.66 55.87 62.53 -19.68 57.26 61.00 -20.17 2 0 13.92 -999 ? CL CL B 238 >LEU^B 96 61.60 55.89 -19.52 63.45 56.98 -19.25 62.53 56.44 -19.39 3 0 15.27 -999 ? CL CL B 236 >LYS^B 97 57.46 54.12 -21.00 52.47 57.40 -22.65 54.96 55.76 -21.83 2 0 18.93 -999 ? CL CL B 238 >SER^B 98 58.28 52.86 -24.54 60.01 54.33 -25.47 59.15 53.60 -25.01 2 0 14.36 -999 ? O1 CAC B 239 >GLU^B 99 63.03 52.18 -23.77 63.18 51.02 -25.61 63.10 51.60 -24.69 2 0 11.11 -999 ? O1 CAC B 239 >SER^B 100 59.00 49.61 -19.78 56.54 49.75 -20.15 57.77 49.68 -19.96 2 0 10.74 -999 ? O1 CAC B 239 >HIS^B 101 59.10 46.44 -23.77 60.31 47.41 -25.18 59.70 46.92 -24.48 3 0 7.52 -999 ? O1 CAC B 239 >ARG^B 102 64.54 46.93 -23.41 66.98 48.77 -23.87 65.76 47.85 -23.64 2 0 9.42 -999 ? O1 CAC B 239 >ILE^B 103 62.44 49.23 -17.27 62.84 50.49 -17.40 62.64 49.86 -17.33 3 0 9.64 -999 ? O1 CAC B 239 >THR^B 104 62.14 46.50 -13.75 62.46 44.54 -12.84 62.30 45.52 -13.29 2 0 7.75 -999 ? O2 CAC B 239 >VAL^B 105 61.36 49.05 -11.01 60.18 50.88 -10.84 60.77 49.97 -10.93 3 0 9.36 -999 ? CA CA B 237 >GLU^B 106 64.75 46.28 -8.69 66.58 45.23 -8.32 65.67 45.76 -8.51 2 0 -3.28 -999 ? CA CA B 237s >MET?B 107 60.95 49.49 -4.91 58.66 51.32 -6.33 59.81 50.41 -5.62 2 0 10.46 -999 ? CA CA B 237 >THR^B 108 63.63 49.98 -2.25 64.82 51.77 -2.69 64.22 50.88 -2.47 2 0 6.75 -999 ? CA CA B 237 >GLU^B 109 65.53 48.50 2.46 66.82 47.97 0.89 66.18 48.24 1.67 2 0 7.14 -999 ? CA CA B 237 >ASP^B 110 65.03 53.97 1.21 66.76 53.41 0.25 65.90 53.69 0.73 2 0 8.01 -999 ? CL CL B 236 >ILE^B 111 62.68 54.64 6.35 62.00 53.94 7.46 62.34 54.29 6.90 3 0 13.35 -999 ? CL CL A 238 >PHE^B 112 65.21 58.16 1.78 67.42 56.76 0.76 66.32 57.46 1.27 3 0 10.08 -999 ? CL CL B 236 >ASP^B 113 62.65 63.14 5.46 63.83 62.74 7.19 63.24 62.94 6.33 2 0 16.67 -999 ? CL CL B 238 >VAL^B 114 58.83 62.51 2.95 56.82 61.76 3.08 57.83 62.13 3.02 3 0 10.90 -999 ? CL CL B 238 >PRO^B 115 59.10 64.23 -1.05 58.93 65.01 1.05 59.02 64.62 0.00 3 0 7.83 -999 ? CL CL B 238 >GLY^B 116 57.33 68.51 2.76 57.03 68.28 2.10 57.18 68.40 2.43 1 0 9.61 -999 ? CL CL B 238 >HIS^B 117 54.76 68.53 -1.91 55.44 66.93 -3.08 55.10 67.73 -2.50 3 0 -4.06 -999 ? CL CL B 238s >LYS^B 118 53.08 65.59 1.45 50.01 65.43 -2.80 51.55 65.51 -0.67 2 0 6.49 -999 ? CL CL B 238 >ARG^B 119 57.46 66.04 6.44 59.19 68.52 5.59 58.33 67.28 6.02 2 0 12.81 -999 ? CL CL B 238 >HIS^B 120 49.08 67.64 4.01 48.58 67.25 2.01 48.83 67.45 3.01 3 0 11.42 -999 ? CL CL B 238 >LEU^B 121 49.42 62.44 3.73 48.62 62.76 1.67 49.02 62.60 2.70 3 0 11.82 -999 ? CL CL B 238 >ASN^B 122 47.37 60.52 8.72 45.81 59.37 7.90 46.59 59.94 8.31 2 0 15.34 -999 ? CL CL A 237 >ALA^B 123 50.38 57.38 7.74 50.91 56.58 9.01 50.64 56.98 8.37 2 0 13.21 -999 ? CL CL A 237 >ASN^B 124 46.00 55.40 6.80 45.90 54.16 8.56 45.95 54.78 7.68 2 0 13.47 -999 ? CL CL A 237 >ASP^B 125 46.36 59.66 3.70 44.27 59.68 4.35 45.32 59.67 4.03 2 0 16.94 -999 ? CL CL B 238 >LYS^B 126 50.61 58.23 2.73 53.17 61.90 6.45 51.89 60.06 4.59 2 0 13.97 -999 ? CL CL B 238 >ASN^B 127 50.26 53.34 3.18 51.87 52.93 4.50 51.07 53.14 3.84 2 0 13.67 -999 ? CL CL A 239 >ALA^B 128 47.42 54.86 -0.07 46.10 55.48 0.29 46.76 55.17 0.11 2 0 16.02 -999 ? CL CL A 239 >PHE^B 129 50.20 59.86 -2.51 51.16 61.64 -4.36 50.68 60.75 -3.44 3 0 8.14 -999 ? CL CL B 238 >ILE^B 130 53.30 54.96 -1.63 54.61 54.85 -1.03 53.95 54.90 -1.33 3 0 13.04 -999 ? CL CL B 238 >LEU^B 131 49.11 51.62 -2.61 48.51 49.61 -2.95 48.81 50.62 -2.78 3 0 12.95 -999 ? CL CL A 239 >ASN^B 132 47.60 55.72 -5.84 46.88 56.56 -7.62 47.24 56.14 -6.73 2 0 13.25 -999 ? CL CL B 238 >LYS^B 133 51.58 55.45 -7.73 49.48 59.15 -6.05 50.53 57.30 -6.89 2 0 9.57 -999 ? CL CL B 238 >ILE^B 134 52.90 50.90 -6.63 53.79 50.00 -5.95 53.34 50.45 -6.29 3 0 15.24 -999 ? CA CA B 237 >LYS^B 135 49.43 51.09 -9.58 43.37 52.70 -9.64 46.40 51.89 -9.61 2 0 18.69 -999 ? CL CL B 238 >VAL^B 136 50.33 53.79 -12.10 50.24 55.99 -12.18 50.29 54.89 -12.14 3 0 14.10 -999 ? CL CL B 238 >ILE^B 137 54.92 52.24 -11.63 56.22 52.54 -11.02 55.57 52.39 -11.32 3 0 14.70 -999 ? CA CA B 237 >HIS^B 138 50.89 46.88 -12.52 49.87 45.21 -13.26 50.38 46.05 -12.89 3 0 14.88 -999 ? C1 CAC B 239 >GLY^B 139 49.81 50.37 -15.59 50.63 50.43 -15.63 50.22 50.40 -15.61 1 0 16.81 -999 ? O1 CAC B 239 >LEU^B 140 53.62 52.80 -17.18 53.32 54.85 -17.11 53.47 53.83 -17.14 3 0 16.27 -999 ? O1 CAC B 239 >GLY^B 141 53.87 48.17 -18.03 54.27 48.64 -17.53 54.07 48.41 -17.78 1 0 11.74 -999 ? O1 CAC B 239 >TYR^B 142 57.91 50.56 -15.58 58.74 52.81 -16.97 58.33 51.68 -16.27 3 0 12.49 -999 ? O1 CAC B 239 >HIS^B 143 58.52 42.93 -15.28 58.09 41.45 -16.72 58.30 42.19 -16.00 3 0 5.91 -999 ? C1 CAC B 239 >ILE^B 144 56.76 46.79 -9.69 56.12 48.18 -9.46 56.44 47.48 -9.57 3 0 12.26 -999 ? CA CA B 237 >ALA^B 145 60.04 44.09 -7.81 61.46 43.68 -8.31 60.75 43.88 -8.06 2 0 7.83 -999 ? CA CA B 237 >ILE^B 146 59.38 43.91 -3.00 58.66 45.08 -2.74 59.02 44.50 -2.87 3 0 10.01 -999 ? CA CA B 237 >ASP^B 147 64.83 46.00 -3.61 66.84 45.42 -4.07 65.83 45.71 -3.84 2 0 -2.86 -999 ? CA CA B 237s >ASP^B 148 66.48 44.78 0.46 68.29 45.14 -0.60 67.39 44.96 -0.07 2 0 5.76 -999 ? CA CA B 237 >VAL^B 149 62.57 41.99 1.53 61.60 40.42 0.35 62.09 41.20 0.94 3 0 6.97 -999 ? CL CL A 238 >SER^B 150 62.65 41.76 5.36 61.79 39.53 5.64 62.22 40.65 5.50 2 0 -3.18 -999 ? CL CL A 238s >CYH^B 151 64.82 44.88 5.28 67.10 43.55 4.33 65.96 44.22 4.80 2 0 8.28 -999 ? CL CL A 238 >GLY^B 152 63.96 48.51 5.90 63.49 47.82 6.04 63.72 48.16 5.97 1 0 8.56 -999 ? CL CL A 238 >LEU^B 153 59.53 50.42 5.13 59.48 51.59 3.23 59.51 51.01 4.18 3 0 10.38 -999 ? CL CL A 238 >ASN^B 154 60.82 45.87 1.81 60.49 47.20 0.20 60.66 46.53 1.00 2 0 9.51 -999 ? CL CL A 238 >SER^B 155 58.22 43.92 5.59 56.65 45.55 6.55 57.43 44.74 6.07 2 0 5.50 -999 ? CL CL A 238 >LEU^B 156 55.49 39.96 5.61 54.45 38.17 5.11 54.97 39.06 5.36 3 0 5.74 -999 ? CL CL A 238 >GLU^B 157 51.49 45.40 6.64 51.43 46.56 8.43 51.46 45.98 7.54 2 0 8.63 -999 ? CL CL A 239 >ARG^B 158 56.56 48.80 1.89 55.42 51.54 2.76 55.99 50.17 2.33 2 0 12.23 -999 ? CL CL A 238 >VAL^B 159 54.76 43.27 0.32 56.29 41.74 -0.03 55.52 42.50 0.15 3 0 8.66 -999 ? CL CL A 238 >MET?B 160 51.15 42.19 0.88 50.28 39.05 1.30 50.72 40.62 1.09 2 0 -4.63 -999 ? CL CL A 239s >SER^B 161 49.90 45.70 0.11 51.46 47.38 0.75 50.68 46.54 0.43 2 0 9.28 -999 ? CL CL A 239 >TYR^B 162 54.15 47.27 -2.66 55.59 49.43 -1.65 54.87 48.35 -2.16 3 0 13.04 -999 ? CL CL A 238 >LEU^B 163 50.29 41.38 -3.28 50.85 39.28 -3.14 50.57 40.33 -3.21 3 0 8.51 -999 ? CL CL A 239 >PRO^B 164 47.09 44.07 -5.61 48.88 43.21 -6.41 47.99 43.64 -6.01 3 0 11.22 -999 ? CL CL A 239 >TYR^B 165 49.90 47.18 -8.35 47.23 48.02 -8.06 48.56 47.60 -8.20 3 0 14.90 -999 ? CL CL A 239 >ILE^B 166 55.14 43.10 -6.95 55.20 43.23 -5.48 55.17 43.16 -6.21 3 0 13.56 -999 ? CA CA B 237 >ILE^B 167 56.30 40.53 -11.73 56.22 39.89 -12.20 56.26 40.21 -11.97 3 0 9.25 -999 ? C1 CAC B 239 >GLU^B 168 61.75 39.82 -8.74 63.22 40.81 -10.01 62.49 40.32 -9.37 2 0 8.85 -999 ? CA CA B 237 >ILE^B 169 59.62 39.12 -3.53 58.60 38.42 -2.98 59.11 38.77 -3.25 3 0 11.08 -999 ? CL CL A 238 >LYS^B 170 64.22 39.82 -3.86 67.50 43.32 -6.67 65.86 41.57 -5.26 2 0 3.77 -999 ? CA CA B 237 >PHE^B 171 65.83 36.95 1.22 66.37 36.40 3.92 66.10 36.68 2.57 3 0 9.17 -999 ? CL CL A 238 >SER^B 172 69.52 39.85 -0.17 71.05 41.61 -0.29 70.28 40.73 -0.23 2 0 8.38 -999 ? CA CA B 237 >LEU^B 173 72.64 36.49 1.29 71.92 34.49 1.08 72.28 35.49 1.19 3 0 14.19 -999 ? CA CA B 237 >ILE^B 174 74.38 41.51 0.89 74.93 42.14 -0.19 74.66 41.82 0.35 3 0 10.47 -999 ? CA CA B 237 >HIS^B 175 70.57 44.02 3.01 70.76 45.43 1.47 70.67 44.72 2.24 3 0 8.95 -999 ? CA CA B 237 >PHE^B 176 69.46 39.32 6.43 66.96 40.50 6.15 68.21 39.91 6.29 3 0 8.55 -999 ? CL CL A 238 >LYS^B 177 75.56 38.67 7.56 80.22 39.63 7.58 77.89 39.15 7.57 2 0 19.62 -999 ? CA CA B 237 >ASN^B 178 75.50 39.14 12.29 77.15 40.36 11.67 76.32 39.75 11.98 2 0 17.81 -999 ? CL CL A 238 >ILE^B 179 70.93 35.87 10.40 69.40 36.12 10.56 70.16 36.00 10.48 3 0 11.92 -999 ? CL CL A 238 >PRO^B 180 73.25 31.97 13.60 73.04 32.55 11.43 73.15 32.26 12.51 3 0 16.10 -999 ? CL CL A 236 >LEU^B 181 73.25 30.02 6.79 73.23 30.65 4.70 73.24 30.34 5.75 3 0 17.33 -999 ? CL CL A 238 >GLU^B 182 70.56 26.89 11.69 70.82 25.13 12.90 70.69 26.01 12.29 2 0 13.54 -999 ? CL CL A 236 >ASP^B 183 68.69 31.36 12.25 69.46 30.29 13.95 69.07 30.83 13.10 2 0 11.82 -999 ? CL CL A 236 >LEU^B 184 69.26 33.32 7.31 69.39 35.29 6.63 69.33 34.31 6.97 3 0 11.73 -999 ? CL CL A 238 >LEU^B 185 67.69 28.28 6.17 66.93 26.47 5.35 67.31 27.37 5.76 3 0 15.80 -999 ? CL CL A 238 >LEU^B 186 63.30 29.39 9.10 63.39 27.44 9.96 63.34 28.41 9.53 3 0 10.76 -999 ? CL CL A 236 >PHE^B 187 63.32 34.83 8.26 62.92 35.43 10.93 63.12 35.13 9.60 3 0 7.18 -999 ? CL CL A 238 >ILE^B 188 65.55 31.86 2.50 66.75 31.98 1.80 66.15 31.92 2.15 3 0 12.43 -999 ? CL CL A 238 >LYS^B 189 61.88 29.24 2.91 59.29 24.76 4.65 60.58 27.00 3.78 2 0 15.16 -999 ? CL CL A 236 >ALA^B 190 58.87 31.40 3.97 58.76 32.28 5.25 58.81 31.84 4.61 2 0 9.26 -999 ? CL CL A 238 >TRP^B 191 61.32 36.32 3.12 58.34 38.76 2.43 59.83 37.54 2.78 3 0 5.99 -999 ? CL CL A 238 >ALA^B 192 60.08 31.22 -1.40 61.06 30.07 -1.33 60.57 30.64 -1.36 2 0 14.27 -999 ? CL CL A 238 >ASN^B 193 56.45 28.90 0.73 54.44 28.30 0.86 55.44 28.60 0.79 2 0 14.34 -999 ? CL CL A 239 >PHE^B 194 54.59 35.46 0.02 53.00 37.72 -0.48 53.80 36.59 -0.23 3 0 8.90 -999 ? CL CL A 239 >ALA^B 195 56.48 33.75 -4.00 58.01 33.85 -4.34 57.24 33.80 -4.17 2 0 14.08 -999 ? CL CL A 238 >GLN^B 196 56.92 28.43 -5.53 57.03 28.85 -7.64 56.98 28.64 -6.59 2 0 15.90 -999 ? C1 CAC B 239 >LYS^B 197 51.79 30.71 -3.98 50.70 27.31 -0.03 51.24 29.01 -2.00 2 0 14.04 -999 ? CL CL A 239 >ASN^B 198 51.84 35.33 -4.64 50.68 35.25 -2.88 51.26 35.29 -3.76 2 0 9.56 -999 ? CL CL A 239 >LYS^B 199 53.15 33.31 -8.87 48.55 30.41 -9.32 50.85 31.86 -9.09 2 0 17.01 -999 ? CL CL A 239 >LEU^B 200 56.10 36.53 -6.86 54.63 38.03 -6.19 55.36 37.28 -6.52 3 0 14.08 -999 ? CL CL A 239 >ASP^B 201 60.33 36.06 -10.27 59.76 35.54 -12.28 60.04 35.80 -11.28 2 0 7.96 -999 ? C1 CAC B 239 >PHE^B 202 62.20 33.88 -3.81 63.42 34.10 -1.27 62.81 33.99 -2.54 3 0 12.73 -999 ? CL CL A 238 >VAL^B 203 65.41 36.12 -6.41 65.98 37.61 -7.96 65.69 36.86 -7.19 3 0 10.48 -999 ? CA CA B 237 >VAL^B 204 68.16 35.54 -3.83 68.27 34.00 -2.33 68.22 34.77 -3.08 3 0 12.57 -999 ? CA CA B 237 >GLU^B 205 69.87 39.96 -5.32 70.01 42.06 -5.70 69.94 41.01 -5.51 2 0 5.27 -999 ? CA CA B 237 >GLY^B 206 74.47 38.00 -2.69 74.14 37.31 -2.99 74.30 37.65 -2.84 1 0 11.47 -999 ? CA CA B 237 >ILE^B 207 74.36 33.29 -3.94 73.49 32.15 -4.08 73.92 32.72 -4.01 3 0 15.51 -999 ? CA CA B 237 >GLU^B 208 81.00 34.33 -1.43 80.79 36.45 -1.49 80.90 35.39 -1.46 2 0 17.05 -999 ? CA CA B 237 >THR^B 209 79.24 30.54 -4.74 80.90 29.94 -3.53 80.07 30.24 -4.14 2 0 21.42 -999 ? CA CA B 237 >THR^B 212 75.96 28.11 -1.11 76.51 30.05 -0.46 76.23 29.08 -0.78 2 0 19.68 -999 ? CA CA B 237 >MET?B 213 73.26 27.34 -3.67 71.25 28.93 -5.55 72.26 28.14 -4.61 2 0 18.32 -999 ? CA CA B 237 >THR^B 214 73.33 23.71 -2.85 74.35 21.88 -3.22 73.84 22.80 -3.04 2 0 25.99 -999 ? O2 CAC B 239 >LEU^B 215 74.22 25.69 1.48 76.18 25.29 2.36 75.20 25.49 1.92 3 0 22.66 -999 ? CL CL A 238 >LEU^B 216 70.01 27.92 -0.45 70.71 29.89 0.22 70.36 28.91 -0.12 3 0 17.88 -999 ? CL CL A 238 >SER^B 218 68.81 21.03 0.91 70.82 21.82 2.01 69.81 21.43 1.46 2 0 21.78 -999 ? CL CL A 236 >HIS^B 219 68.03 23.05 5.14 69.54 22.13 6.25 68.79 22.59 5.69 3 0 17.55 -999 ? CL CL A 236 >GLY^B 220 63.54 23.09 0.80 64.03 23.65 0.84 63.79 23.37 0.82 1 0 19.66 -999 ? CL CL A 238 >VAL^B 221 63.97 26.28 -1.17 64.96 28.10 -0.37 64.46 27.19 -0.77 3 0 16.92 -999 ? CL CL A 238 >SER^B 222 63.10 24.79 -4.60 62.09 22.91 -5.81 62.60 23.85 -5.21 2 0 20.76 -999 ? C1 CAC B 239 >ILE^B 223 60.59 27.56 -7.63 59.60 27.03 -8.76 60.09 27.29 -8.20 3 0 15.98 -999 ? C1 CAC B 239 >PHE^B 224 65.71 30.39 -5.52 67.95 29.20 -4.42 66.83 29.80 -4.97 3 0 17.27 -999 ? CA CA B 237 >GLN^B 225 67.46 34.64 -10.85 68.34 33.61 -12.44 67.90 34.13 -11.65 2 0 9.96 -999 ? O2 CAC B 239 >GLY^B 226 70.13 33.04 -7.57 70.05 33.29 -8.38 70.09 33.17 -7.98 1 0 14.16 -999 ? CA CA B 237 >TYR^B 227 70.89 37.74 -9.25 68.73 38.46 -10.91 69.81 38.10 -10.08 3 0 9.89 -999 ? CA CA B 237 >LEU^B 228 77.34 35.48 -8.65 77.94 33.47 -9.41 77.64 34.47 -9.03 3 0 15.96 -999 ? CA CA B 237 >VAL^B 229 78.13 38.58 -5.63 78.74 38.79 -3.52 78.43 38.69 -4.57 3 0 13.27 -999 ? CA CA B 237 >ASN^B 230 79.69 40.36 -9.53 77.87 40.99 -10.39 78.78 40.67 -9.96 2 0 12.19 -999 ? CA CA B 237 >LYS^B 231 81.29 44.42 -8.23 85.02 43.96 -4.89 83.15 44.19 -6.56 2 0 17.14 -999 ? CA CA B 237 >PRO^B 232 78.35 47.55 -7.85 79.54 46.66 -9.50 78.94 47.10 -8.68 3 0 10.53 -999 ? CL CL B 236 >PHE^B 233 81.52 47.63 -14.23 80.17 45.86 -15.91 80.85 46.74 -15.07 3 0 14.69 -999 ? CL CL B 236 >PRO^B 234 83.01 53.35 -13.54 81.15 52.15 -13.94 82.08 52.75 -13.74 3 0 13.47 -999 ? CL CL B 236 >VAL^B 235 78.32 52.71 -17.09 76.71 54.07 -16.53 77.51 53.39 -16.81 3 0 12.20 -999 ? CL CL B 236