REMARK SOURCE hebe.pdb HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 11-MAY-05 1ZNO COMPND HYPOTHETICAL UPF0244 PROTEIN VC0702; COMPND 3 CHAIN: A, B; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: VIBRIO CHOLERAE; SOURCE 3 ORGANISM_TAXID: 666; SOURCE 4 GENE: VIBRIO CHOLERAE; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 6 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 7 EXPRESSION_SYSTEM_STRAIN: BL21DE3 PLYSS; SOURCE 8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 9 EXPRESSION_SYSTEM_PLASMID: PET28 AUTHOR S.NI,F.FOROUHAR,D.E.BUSSIERE,H.ROBINSON,M.A.KENNEDY, AUTHOR 2 NORTHEAST STRUCTURAL GENOMICS CONSORTIUM (NESG) HET MSE A 10 8 HET MSE A 55 8 HET MSE A 97 8 HET MSE A 114 8 HET MSE A 133 8 HET MSE B 10 8 HET MSE B 55 8 HET MSE B 97 8 HET MSE B 114 8 HET MSE B 133 8 HET MG A 184 1 HET MG B 184 1 HET MG B 185 1 SITE 1 AC1 1 HIS A 155 SITE 1 AC2 2 HIS B 155 HOH B 484 SITE 1 AC3 6 GLU B 49 ASN B 70 HOH B 349 HOH B 350 >MET?A 10 27.33 6.11 84.62 25.46 9.41 86.69 26.40 7.76 85.65 2 0 25.65 -999 ? MG MG B 184 >ARG^A 11 25.31 3.51 79.96 25.76 3.37 76.94 25.53 3.44 78.45 2 0 28.58 -999 ? MG MG B 184 >LYS^A 12 24.61 9.51 79.57 30.07 9.44 76.34 27.34 9.47 77.95 2 0 32.62 -999 ? MG MG B 184 >ILE^A 13 20.33 11.16 78.58 19.00 10.64 78.82 19.66 10.90 78.70 3 0 22.42 -999 ? MG MG B 184 >ILE^A 14 22.97 13.47 73.85 24.19 14.31 73.99 23.58 13.89 73.92 3 0 28.69 -999 ? MG MG B 184 >ILE^A 15 18.99 17.30 76.03 18.78 17.04 76.81 18.88 17.17 76.42 3 0 24.50 -999 ? MG MG A 184 >ALA.A 16 19.48 18.13 71.40 18.76 17.58 70.18 19.12 17.85 70.79 2 0 27.94 -999 ? MG MG A 184 >SER.A 17 19.25 21.51 73.10 17.47 23.00 73.77 18.36 22.26 73.43 2 0 23.32 -999 ? MG MG A 184 >GLN.A 18 23.69 23.67 74.57 25.31 24.95 74.02 24.50 24.31 74.29 2 0 29.35 -999 ? MG MG A 184 >ASN~A 19 16.85 25.40 76.12 15.51 26.77 77.02 16.18 26.09 76.57 2 0 19.45 -999 ? MG MG A 184 >PRO~A 20 18.17 27.09 80.77 18.26 25.03 79.95 18.22 26.06 80.36 3 0 20.07 -999 ? MG MG A 184 >ALA~A 21 14.38 24.61 80.58 13.47 25.66 79.94 13.92 25.13 80.26 2 0 16.13 -999 ? MG MG A 184 >LYS~A 22 14.30 21.80 78.03 13.61 23.42 71.97 13.95 22.61 75.00 2 0 21.86 -999 ? MG MG A 184 >VAL~A 23 17.16 19.98 79.74 19.33 20.18 79.80 18.24 20.08 79.77 3 0 21.40 -999 ? MG MG A 184 >ASN~A 24 14.70 21.42 83.67 16.25 22.43 84.70 15.47 21.92 84.19 2 0 17.29 -999 ? MG MG A 184 >ALA~A 25 12.11 18.64 81.46 11.33 19.24 80.30 11.72 18.94 80.88 2 0 16.00 -999 ? MG MG A 184 >VAL~A 26 14.07 15.72 80.02 15.28 15.35 78.24 14.68 15.54 79.13 3 0 19.50 -999 ? MG MG B 184 >ARG~A 27 18.60 16.87 85.14 20.74 18.75 84.03 19.67 17.81 84.58 2 0 22.72 -999 ? MG MG A 184 >SER~A 28 12.22 15.17 85.26 10.16 16.13 86.11 11.19 15.65 85.69 2 0 13.88 -999 ? MG MG B 184 >ALA~A 29 10.65 12.88 82.66 10.62 13.12 81.15 10.64 13.00 81.91 2 0 14.41 -999 ? MG MG B 184 >PHE~A 30 14.95 10.02 80.95 15.22 9.42 78.23 15.09 9.72 79.59 3 0 17.86 -999 ? MG MG B 184 >SER~A 31 13.52 10.50 86.70 12.85 12.70 87.52 13.18 11.60 87.11 2 0 14.09 -999 ? MG MG B 184 >THR~A 32 9.76 9.95 86.84 7.99 11.17 86.62 8.87 10.56 86.73 2 0 9.24 -999 ? MG MG B 184 >VAL~A 33 9.70 6.91 84.56 9.21 6.74 82.45 9.45 6.83 83.51 3 0 10.82 -999 ? MG MG B 184 >PHE~A 34 13.77 5.12 83.71 13.03 4.43 81.09 13.40 4.77 82.40 3 0 15.01 -999 ? MG MG B 184 >PRO.A 35 11.62 4.42 89.96 12.73 6.16 89.14 12.17 5.29 89.55 3 0 12.33 -999 ? MG MG B 184 >ASP.A 36 16.31 3.26 90.61 15.26 1.98 89.32 15.79 2.62 89.97 2 0 16.09 -999 ? MG MG B 184 >GLN.A 37 17.69 2.76 86.02 17.28 2.44 83.96 17.49 2.60 84.99 2 0 18.52 -999 ? MG MG B 184 >GLU.A 38 23.23 5.27 88.19 24.83 4.92 86.86 24.03 5.10 87.52 2 0 24.99 -999 ? MG MG B 184 >TRP^A 39 19.75 9.17 83.72 18.08 5.97 82.16 18.92 7.57 82.94 3 0 19.80 -999 ? MG MG B 184 >GLU^A 40 26.14 13.98 83.29 27.83 14.60 82.21 26.98 14.29 82.75 2 0 29.57 -999 ? MG MG B 184 >PHE^A 41 19.87 14.19 82.13 18.20 12.23 83.23 19.04 13.21 82.68 3 0 20.91 -999 ? MG MG B 184 >ILE^A 42 25.33 16.34 78.08 26.75 16.10 78.11 26.04 16.22 78.10 3 0 29.60 -999 ? MG MG B 184 >GLY^A 43 22.54 19.81 76.69 23.35 19.62 76.64 22.95 19.72 76.67 1 0 26.49 -999 ? MG MG A 184 >VAL.A 44 24.13 20.04 73.24 25.40 18.47 72.43 24.76 19.26 72.83 3 0 30.37 -999 ? MG MG A 184 >SER.A 45 23.58 22.58 70.47 25.52 24.03 70.58 24.55 23.31 70.52 2 0 31.45 -999 ? MG MG A 184 >VAL.A 46 22.89 21.13 67.01 22.72 19.04 67.61 22.80 20.08 67.31 3 0 32.01 -999 ? MG MG A 184 >PRO.A 47 22.86 21.76 62.68 21.53 22.22 64.40 22.20 21.99 63.54 3 0 33.93 -999 ? MG MG A 184 >SER.A 48 17.50 21.43 63.05 16.08 23.37 62.79 16.79 22.40 62.92 2 0 30.73 -999 ? MG MG A 184 >GLU.A 49 19.99 20.65 58.96 20.59 18.65 58.63 20.29 19.65 58.80 2 0 37.38 -999 ? MG MG A 184 >VAL.A 50 14.44 23.54 59.17 13.30 22.02 60.28 13.87 22.78 59.72 3 0 32.42 -999 ? MG MG A 184 >ALA.A 51 13.03 27.04 59.65 11.67 27.54 59.21 12.35 27.29 59.43 2 0 31.78 -999 ? MG MG A 184 >ASP.A 52 14.61 30.01 63.19 16.71 30.01 62.97 15.66 30.01 63.08 2 0 30.91 -999 ? MG MG A 184 >GLN.A 53 8.19 30.11 64.09 7.99 29.23 66.02 8.09 29.67 65.06 2 0 24.23 -999 ? MG MG A 184 >PRO.A 54 10.10 24.38 63.35 9.01 26.08 62.41 9.56 25.23 62.88 3 0 27.63 -999 ? MG MG A 184 >MET?A 55 5.28 26.38 60.35 5.32 29.58 61.05 5.30 27.98 60.70 2 0 28.36 -999 ? MG MG A 184 >SER~A 56 3.69 22.94 60.12 4.80 21.50 58.47 4.24 22.22 59.30 2 0 31.07 -999 ? MG MG B 185 >ASP~A 57 2.04 19.05 62.40 2.13 17.54 63.87 2.09 18.30 63.13 2 0 26.62 -999 ? MG MG A 184 >GLU~A 58 3.67 17.03 58.03 1.92 18.24 57.99 2.79 17.63 58.01 2 0 27.97 -999 ? MG MG B 185 >GLU~A 59 9.39 22.73 59.38 9.30 24.65 58.50 9.34 23.69 58.94 2 0 31.73 -999 ? MG MG A 184 >THR~A 60 8.33 20.65 63.38 7.18 21.68 64.89 7.75 21.16 64.13 2 0 25.43 -999 ? MG MG A 184 >LYS~A 61 8.65 16.87 63.68 6.33 10.94 63.42 7.49 13.90 63.55 2 0 26.41 -999 ? MG MG B 184 >GLN~A 62 12.35 16.97 58.63 12.76 14.88 58.62 12.55 15.92 58.63 2 0 33.65 -999 ? MG MG B 184 >GLY~A 63 13.35 19.51 62.93 13.06 18.76 63.20 13.20 19.14 63.07 1 0 29.96 -999 ? MG MG A 184 >ALA~A 64 13.19 17.40 66.08 11.91 17.00 66.82 12.55 17.20 66.45 2 0 26.80 -999 ? MG MG A 184 >LEU~A 65 13.52 13.59 63.02 11.95 12.10 63.13 12.74 12.84 63.08 3 0 29.25 -999 ? MG MG B 184 >ASN~A 66 17.10 17.35 61.63 16.22 16.98 59.75 16.66 17.16 60.69 2 0 34.64 -999 ? MG MG A 184 >ARG~A 67 17.16 20.65 67.57 17.23 23.60 66.69 17.20 22.13 67.13 2 0 28.18 -999 ? MG MG A 184 >VAL~A 68 18.52 14.01 67.29 17.04 12.73 68.24 17.78 13.37 67.76 3 0 28.23 -999 ? MG MG B 184 >ARG~A 69 21.03 12.51 60.79 20.25 15.06 59.30 20.64 13.78 60.05 2 0 36.64 -999 ? MG MG B 184 >ASN~A 70 22.68 16.71 64.03 22.11 17.16 62.03 22.39 16.94 63.03 2 0 35.99 -999 ? MG MG A 184 >ALA~A 71 23.36 14.86 68.05 22.28 15.03 69.11 22.82 14.95 68.58 2 0 30.76 -999 ? MG MG B 184 >LYS~A 72 23.98 11.13 67.50 19.36 6.80 67.26 21.67 8.97 67.38 2 0 28.94 -999 ? MG MG B 184 >GLN~A 73 27.61 11.91 62.63 29.38 13.08 62.86 28.50 12.50 62.74 2 0 39.63 -999 ? MG MG B 184 >ARG~A 74 28.93 17.86 66.55 27.85 20.13 68.32 28.39 19.00 67.43 2 0 35.17 -999 ? MG MG A 184 >HIS~A 75 28.06 15.29 71.45 28.47 17.33 71.19 28.26 16.31 71.32 3 0 34.48 -999 ? MG MG B 184 >PRO.A 76 29.15 9.68 67.87 28.26 9.89 69.89 28.71 9.78 68.88 3 0 35.03 -999 ? MG MG B 184 >GLY.A 77 28.11 6.84 72.91 27.42 7.20 72.78 27.77 7.02 72.84 1 0 32.28 -999 ? MG MG B 184 >ALA.A 78 25.09 8.18 74.82 24.42 9.52 74.59 24.76 8.85 74.70 2 0 28.34 -999 ? MG MG B 184 >GLU.A 79 21.21 3.98 77.22 20.80 3.32 79.18 21.01 3.65 78.20 2 0 23.21 -999 ? MG MG B 184 >TYR^A 80 17.91 7.04 76.54 16.72 4.66 77.39 17.32 5.85 76.96 3 0 20.99 -999 ? MG MG B 184 >TYR^A 81 21.18 10.47 71.13 23.84 9.60 71.15 22.51 10.03 71.14 3 0 28.74 -999 ? MG MG B 184 >VAL^A 82 16.23 13.50 72.93 15.06 13.31 74.78 15.65 13.40 73.86 3 0 22.53 -999 ? MG MG B 184 >GLY^A 83 14.77 16.08 70.60 14.27 15.78 71.25 14.52 15.93 70.92 1 0 25.10 -999 ? MG MG B 184 >LEU^A 84 12.49 18.99 73.30 11.08 19.56 74.83 11.79 19.27 74.07 3 0 20.26 -999 ? MG MG A 184 >GLU^A 85 11.66 21.76 66.64 13.42 22.92 66.90 12.54 22.34 66.77 2 0 25.93 -999 ? MG MG A 184 >ALA^A 86 8.19 23.54 69.37 8.15 24.71 70.36 8.17 24.12 69.86 2 0 20.23 -999 ? MG MG A 184 >GLY^A 87 6.33 24.74 66.29 5.77 24.72 66.93 6.05 24.73 66.61 1 0 23.43 -999 ? MG MG A 184 >ILE^A 88 2.82 27.59 65.25 4.16 28.24 65.47 3.49 27.92 65.36 3 0 23.69 -999 ? MG MG A 184 >GLU^A 89 -0.12 23.65 60.57 -0.33 21.59 60.19 -0.23 22.62 60.38 2 0 25.86 -999 ? MG MG B 185 >GLU.A 90 -3.39 26.05 60.10 -5.26 25.06 59.82 -4.32 25.56 59.96 2 0 22.20 -999 ? MG MG B 185 >ASN.A 91 -4.67 29.80 64.86 -6.21 28.33 65.07 -5.44 29.07 64.97 2 0 22.70 -999 ? MG MG B 185 >LYS^A 92 -2.02 26.28 66.86 -6.82 24.28 66.30 -4.42 25.28 66.58 2 0 20.50 -999 ? MG MG B 185 >THR^A 93 1.24 25.74 68.73 2.32 26.81 70.28 1.78 26.28 69.50 2 0 18.63 -999 ? MG MG A 184 >PHE^A 94 2.11 21.57 67.73 2.52 22.02 65.00 2.32 21.80 66.36 3 0 23.05 -999 ? MG MG A 184 >ALA^A 95 6.03 20.67 70.46 6.73 21.06 71.74 6.38 20.87 71.10 2 0 19.16 -999 ? MG MG A 184 >TRP^A 96 6.01 17.65 65.90 4.81 13.92 66.24 5.41 15.79 66.07 3 0 24.91 -999 ? MG MG B 184 >MET?A 97 9.26 15.06 71.47 7.86 17.41 73.37 8.56 16.23 72.42 2 0 19.64 -999 ? MG MG A 184 >ILE^A 98 12.19 12.74 68.61 11.71 12.91 67.94 11.95 12.82 68.28 3 0 24.41 -999 ? MG MG B 184 >VAL^A 99 13.61 9.98 72.09 13.32 9.67 74.24 13.46 9.82 73.17 3 0 20.79 -999 ? MG MG B 184 >GLU^A 100 15.65 8.26 67.93 16.49 8.92 66.11 16.07 8.59 67.02 2 0 28.08 -999 ? MG MG B 184 >SER.A 101 18.34 4.90 71.69 17.10 2.80 71.57 17.72 3.85 71.63 2 0 24.62 -999 ? MG MG B 184 >ASP.A 102 21.89 2.09 70.22 23.24 3.64 70.68 22.56 2.86 70.45 2 0 29.64 -999 ? MG MG B 184 >GLN.A 103 19.01 -1.57 70.17 18.73 -3.13 71.62 18.87 -2.35 70.90 2 0 27.35 -999 ? MG MG B 184 >GLN.A 104 13.51 1.28 70.90 12.38 -0.24 71.88 12.94 0.52 71.39 2 0 22.17 -999 ? MG MG B 184 >ARG^A 105 12.01 8.01 65.84 13.51 8.12 63.18 12.76 8.06 64.51 2 0 28.95 -999 ? MG MG B 184 >GLY^A 106 9.92 6.82 70.78 10.37 7.38 70.28 10.14 7.10 70.53 1 0 20.53 -999 ? MG MG B 184 >GLU^A 107 7.25 8.99 67.63 7.48 9.20 65.56 7.36 9.10 66.59 2 0 24.48 -999 ? MG MG B 184 >SER^A 108 4.91 12.04 70.95 3.62 12.56 72.94 4.26 12.30 71.95 2 0 17.14 -999 ? MG MG B 184 >ARG^A 109 1.88 17.62 67.36 -1.05 18.53 67.27 0.42 18.08 67.32 2 0 23.03 -999 ? MG MG A 184 >SER.A 110 2.29 17.56 73.02 3.11 19.78 72.69 2.70 18.67 72.85 2 0 17.79 -999 ? MG MG A 184 >ALA.A 111 -1.32 18.72 73.29 -2.13 18.84 74.58 -1.72 18.78 73.93 2 0 16.36 -999 ? MG MG A 184 >CYH.A 112 -1.83 21.75 71.05 -3.87 21.27 69.19 -2.85 21.51 70.12 2 0 20.69 -999 ? MG MG A 184 >LEU^A 113 -2.13 25.81 73.18 -1.66 27.77 73.92 -1.90 26.79 73.55 3 0 15.33 -999 ? MG MG A 184 >MET?A 114 -4.78 28.01 70.15 -8.99 27.73 69.77 -6.89 27.87 69.96 2 0 21.03 -999 ? MG MG A 184 >LEU^A 115 -1.53 31.40 69.06 0.41 30.71 69.65 -0.56 31.06 69.35 3 0 19.89 -999 ? MG MG A 184 >PRO^A 116 -3.50 34.85 72.19 -4.07 34.08 70.17 -3.79 34.47 71.18 3 0 19.58 -999 ? MG MG A 184 >PRO^A 117 -7.22 36.89 67.56 -5.35 35.76 67.22 -6.29 36.32 67.39 3 0 24.26 -999 ? MG MG A 184 >LEU^A 118 -3.44 39.95 68.65 -2.23 41.69 68.19 -2.84 40.82 68.42 3 0 24.91 -999 ? MG MG A 184 >VAL^A 119 -0.31 36.74 67.84 0.31 35.61 69.60 0.00 36.17 68.72 3 0 22.16 -999 ? MG MG A 184 >LEU^A 120 -1.95 34.02 64.13 -1.76 32.38 65.52 -1.85 33.20 64.82 3 0 24.87 -999 ? MG MG A 184 >GLU^A 121 -1.50 40.80 62.70 -2.49 40.78 60.83 -1.99 40.79 61.77 2 0 31.37 -999 ? MG MG A 184 >ARG^A 122 2.66 41.74 66.78 2.07 44.15 68.59 2.37 42.95 67.68 2 0 26.74 -999 ? MG MG A 184 >LEU^A 123 4.09 35.19 63.33 2.88 33.63 64.18 3.48 34.41 63.76 3 0 26.39 -999 ? MG MG A 184 >LEU^A 129 8.94 36.43 65.01 10.24 37.49 63.67 9.59 36.96 64.34 3 0 28.16 -999 ? MG MG A 184 >GLY^A 130 7.53 33.49 68.69 8.10 34.09 68.72 7.81 33.79 68.70 1 0 22.48 -999 ? MG MG A 184 >ASP^A 131 10.32 36.99 70.39 11.72 35.45 70.03 11.02 36.22 70.21 2 0 23.75 -999 ? MG MG A 184 >VAL^A 132 5.76 38.44 69.91 4.59 38.70 68.09 5.18 38.57 69.00 3 0 23.62 -999 ? MG MG A 184 >MET?A 133 4.52 36.64 72.99 2.10 34.38 72.73 3.31 35.51 72.86 2 0 17.89 -999 ? MG MG A 184 >ASP^A 134 8.45 39.01 74.54 9.57 37.22 74.73 9.01 38.11 74.64 2 0 19.96 -999 ? MG MG A 184 >GLU^A 135 4.99 42.22 72.24 4.29 43.05 70.43 4.64 42.63 71.33 2 0 24.92 -999 ? MG MG A 184 >VAL^A 136 0.77 41.02 75.74 -1.13 41.70 74.92 -0.18 41.36 75.33 3 0 19.86 -999 ? MG MG A 184 >GLU^A 140 5.90 41.53 79.37 5.32 39.54 78.95 5.61 40.53 79.16 2 0 16.99 -999 ? MG MG A 184 >ASN^A 141 10.75 38.47 81.17 12.09 38.75 79.53 11.42 38.61 80.35 2 0 19.39 -999 ? MG MG A 184 >ILE^A 142 4.68 37.94 82.32 3.53 38.67 82.76 4.11 38.30 82.54 3 0 13.77 -999 ? MG MG A 184 >LYS^A 143 6.78 34.66 79.92 5.03 33.44 77.91 5.90 34.05 78.92 2 0 13.72 -999 ? MG MG A 184 >GLN^A 144 10.80 34.07 83.61 12.78 33.72 84.35 11.79 33.90 83.99 2 0 15.22 -999 ? MG MG A 184 >LYS^A 145 5.73 32.05 84.45 4.39 37.53 87.35 5.06 34.79 85.90 2 0 11.75 -999 ? MG MG A 184 >GLY^A 146 4.82 28.84 82.69 5.13 29.50 82.29 4.97 29.17 82.49 1 0 8.03 -999 ? MG MG A 184 >GLY^A 147 5.37 30.47 79.32 4.68 30.52 79.81 5.02 30.49 79.56 1 0 11.49 -999 ? MG MG A 184 >ALA^A 148 2.45 31.26 77.02 2.45 31.11 75.50 2.45 31.18 76.26 2 0 14.18 -999 ? MG MG A 184 >ILE^A 149 1.38 26.69 78.32 1.38 25.28 77.96 1.38 25.99 78.14 3 0 10.74 -999 ? MG MG A 184 >GLY^A 150 1.19 29.24 81.90 0.89 29.66 81.28 1.04 29.45 81.59 1 0 7.40 -999 ? MG MG A 184 >LEU^A 151 0.57 33.79 80.38 0.06 35.45 81.68 0.31 34.62 81.03 3 0 11.05 -999 ? MG MG A 184 >LEU^A 152 -2.91 31.00 77.63 -2.59 32.15 75.82 -2.75 31.58 76.73 3 0 13.27 -999 ? MG MG A 184 >THR^A 153 -4.28 28.91 81.51 -3.13 27.11 80.97 -3.70 28.01 81.24 2 0 8.41 -999 ? MG MG A 184 >ARG^A 154 -7.56 32.25 85.12 -10.41 33.26 84.63 -8.99 32.75 84.88 2 0 12.97 -999 ? MG MG A 184 >HIS^A 155 1.10 29.19 86.90 3.11 28.63 87.19 2.10 28.91 87.05 3 0 -3.48 -999 ? MG MG A 184s >HIS^A 156 -5.68 26.58 86.36 -6.69 27.68 87.82 -6.18 27.13 87.09 3 0 6.42 -999 ? MG MG A 184 >LEU^A 157 -1.49 23.94 81.98 -2.71 22.19 81.63 -2.10 23.07 81.81 3 0 8.14 -999 ? MG MG A 184 >THR^A 158 2.71 25.36 82.40 3.72 25.08 84.30 3.22 25.22 83.35 2 0 6.04 -999 ? MG MG A 184 >ARG^A 159 7.84 26.08 77.22 9.40 28.38 78.53 8.62 27.23 77.88 2 0 13.99 -999 ? MG MG A 184 >SER^A 160 6.85 22.39 81.75 8.61 23.67 82.85 7.73 23.03 82.30 2 0 10.89 -999 ? MG MG A 184 >THR^A 161 3.86 20.35 82.95 2.57 21.53 84.27 3.22 20.94 83.61 2 0 7.34 -999 ? MG MG A 184 >VAL^A 162 2.64 20.10 79.37 1.43 21.31 78.02 2.03 20.71 78.69 3 0 11.91 -999 ? MG MG A 184 >TYR^A 163 7.36 20.94 76.90 7.50 22.85 74.87 7.43 21.89 75.89 3 0 15.63 -999 ? MG MG A 184 >HIS^A 164 6.31 15.71 83.27 6.90 14.14 84.54 6.61 14.93 83.90 3 0 11.37 -999 ? MG MG B 184 >GLN^A 165 1.32 15.31 80.92 -0.80 15.03 81.00 0.26 15.17 80.96 2 0 11.16 -999 ? MG MG B 184 >ALA^A 166 4.59 14.40 76.03 4.81 15.64 75.14 4.70 15.02 75.59 2 0 16.80 -999 ? MG MG B 184 >LEU^A 167 8.95 14.09 78.14 10.51 15.44 77.46 9.73 14.77 77.80 3 0 16.57 -999 ? MG MG B 184 >ILE^A 168 5.58 10.48 80.38 6.33 9.99 81.49 5.95 10.24 80.93 3 0 10.34 -999 ? MG MG B 184 >LEU^A 169 3.44 10.15 75.59 1.41 10.25 76.31 2.43 10.20 75.95 3 0 13.42 -999 ? MG MG B 184 >ALA^A 170 7.58 9.41 74.05 8.45 10.63 73.79 8.02 10.02 73.92 2 0 17.56 -999 ? MG MG B 184 >LEU^A 171 9.61 7.27 77.88 11.00 8.87 78.33 10.30 8.07 78.10 3 0 14.86 -999 ? MG MG B 184 >ILE^A 172 5.22 4.52 75.03 4.28 4.10 75.97 4.75 4.31 75.50 3 0 14.36 -999 ? MG MG B 184 >PRO^A 173 8.23 3.71 71.88 8.24 2.64 73.83 8.24 3.17 72.85 3 0 18.33 -999 ? MG MG B 184 >PHE^A 174 12.75 3.83 75.11 13.49 5.05 72.70 13.12 4.44 73.90 3 0 20.00 -999 ? MG MG B 184 >ILE^A 175 7.77 2.11 79.37 7.13 2.99 80.37 7.45 2.55 79.87 3 0 12.45 -999 ? MG MG B 184 >ASN^A 176 5.93 -1.49 76.59 4.92 -0.14 77.90 5.42 -0.81 77.25 2 0 13.93 -999 ? MG MG B 184 >PRO^A 177 11.56 -2.90 76.93 9.79 -3.19 75.61 10.68 -3.04 76.27 3 0 19.29 -999 ? MG MG B 184 >GLU^A 178 7.87 -7.11 77.24 7.41 -5.20 78.07 7.64 -6.15 77.65 2 0 17.88 -999 ? MG MG B 184 >HIS^A 179 3.40 -4.97 74.60 2.39 -6.39 75.76 2.90 -5.68 75.18 3 0 18.84 -999 ? MG MG B 184 >TYR^A 180 6.44 -0.40 71.90 3.97 0.79 72.49 5.21 0.19 72.19 3 0 18.67 -999 ? MG MG B 184 >PRO^A 181 8.65 -4.70 67.38 9.73 -4.03 69.20 9.19 -4.36 68.29 3 0 25.18 -999 ? MG MG B 184 >SER^A 182 13.24 -2.74 67.00 14.98 -3.28 68.60 14.11 -3.01 67.80 2 0 27.16 -999 ? MG MG B 184 >MET?B 10 -27.64 27.71 87.73 -25.95 24.34 89.85 -26.79 26.03 88.79 2 0 26.08 -999 ? MG MG A 184 >ARG^B 11 -26.55 30.25 82.66 -27.11 30.60 79.67 -26.83 30.42 81.17 2 0 21.81 -999 ? MG MG B 185 >LYS^B 12 -25.60 23.92 82.93 -31.43 22.23 81.08 -28.52 23.07 82.01 2 0 19.84 -999 ? MG MG B 185 >ILE^B 13 -21.58 22.25 81.22 -20.24 22.77 81.25 -20.91 22.51 81.23 3 0 19.73 -999 ? MG MG B 185 >ILE^B 14 -24.82 19.79 77.00 -26.01 19.00 77.35 -25.41 19.39 77.18 3 0 14.47 -999 ? MG MG B 185 >ILE^B 15 -20.74 15.96 78.74 -19.58 16.67 78.94 -20.16 16.31 78.84 3 0 16.76 -999 ? MG MG B 185 >ALA^B 16 -21.58 15.07 74.20 -20.97 15.59 72.91 -21.27 15.33 73.56 2 0 11.00 -999 ? MG MG B 185 >SER^B 17 -21.17 11.73 75.98 -19.33 10.22 76.46 -20.25 10.97 76.22 2 0 16.20 -999 ? MG MG B 185 >GLN^B 18 -25.29 9.47 78.36 -26.80 8.32 77.41 -26.04 8.90 77.88 2 0 16.72 -999 ? MG MG B 185 >ASN^B 19 -18.24 7.90 78.80 -16.71 6.66 79.60 -17.47 7.28 79.20 2 0 19.06 -999 ? MG MG B 184 >PRO^B 20 -18.86 6.45 83.69 -19.09 8.46 82.77 -18.98 7.46 83.23 3 0 19.77 -999 ? MG MG B 184 >ALA^B 21 -15.19 9.06 82.82 -14.35 7.97 82.17 -14.77 8.51 82.50 2 0 15.82 -999 ? MG MG B 184 >LYS^B 22 -15.60 11.78 80.20 -15.60 9.87 74.15 -15.60 10.82 77.17 2 0 16.44 -999 ? MG MG B 185 >VAL^B 23 -18.19 13.69 82.19 -20.33 13.52 82.47 -19.26 13.60 82.33 3 0 20.59 -999 ? MG MG B 185 >ASN^B 24 -15.42 12.39 85.98 -16.97 11.46 87.11 -16.19 11.93 86.54 2 0 17.61 -999 ? MG MG B 184 >ALA^B 25 -12.94 14.96 83.30 -12.34 14.31 82.06 -12.64 14.64 82.68 2 0 15.81 -999 ? MG MG B 184 >VAL^B 26 -15.03 17.87 82.05 -16.45 18.16 80.43 -15.74 18.02 81.24 3 0 19.50 -999 ? MG MG A 184 >ARG^B 27 -18.94 16.14 87.06 -21.55 14.57 87.42 -20.24 15.36 87.24 2 0 22.86 -999 ? MG MG B 184 >SER^B 28 -12.61 18.42 86.89 -10.35 17.58 87.12 -11.48 18.00 87.01 2 0 13.91 -999 ? MG MG A 184 >ALA^B 29 -11.38 20.71 84.11 -11.39 20.40 82.61 -11.38 20.55 83.36 2 0 14.41 -999 ? MG MG A 184 >PHE^B 30 -15.92 23.52 82.95 -16.54 24.23 80.31 -16.23 23.87 81.63 3 0 17.96 -999 ? MG MG A 184 >SER^B 31 -13.75 23.20 88.50 -12.98 21.05 89.34 -13.37 22.13 88.92 2 0 14.18 -999 ? MG MG A 184 >THR^B 32 -9.99 23.68 88.16 -8.27 22.44 87.61 -9.13 23.06 87.88 2 0 9.39 -999 ? MG MG A 184 >VAL^B 33 -10.26 26.68 85.81 -9.86 26.73 83.66 -10.06 26.70 84.73 3 0 10.84 -999 ? MG MG A 184 >PHE^B 34 -14.29 28.66 84.79 -13.58 29.37 82.19 -13.93 29.01 83.49 3 0 15.07 -999 ? MG MG A 184 >PRO^B 35 -11.39 28.51 90.97 -13.29 27.63 90.22 -12.34 28.07 90.59 3 0 12.55 -999 ? MG MG A 184 >ASP^B 36 -14.99 31.91 91.43 -15.89 33.32 92.73 -15.44 32.62 92.08 2 0 17.65 -999 ? MG MG A 184 >GLN^B 37 -17.99 31.00 87.74 -17.77 31.41 85.66 -17.88 31.20 86.70 2 0 18.64 -999 ? MG MG A 184 >GLU^B 38 -20.99 26.29 92.13 -22.14 26.37 93.90 -21.56 26.33 93.02 2 0 22.73 -999 ? MG MG A 184 >TRP^B 39 -19.66 24.75 86.31 -19.14 27.98 84.13 -19.40 26.36 85.22 3 0 19.72 -999 ? MG MG A 184 >GLU^B 40 -27.12 20.11 86.57 -29.17 20.04 86.04 -28.15 20.07 86.31 2 0 23.60 -999 ? MG MG B 185 >PHE^B 41 -20.63 19.42 84.91 -18.76 21.41 85.54 -19.70 20.41 85.22 3 0 20.98 -999 ? MG MG A 184 >ILE^B 42 -26.59 17.42 81.55 -28.00 17.62 81.68 -27.30 17.52 81.61 3 0 18.74 -999 ? MG MG B 185 >GLY^B 43 -24.00 13.90 79.89 -24.82 14.06 79.95 -24.41 13.98 79.92 1 0 17.21 -999 ? MG MG B 185 >VAL^B 44 -26.03 13.44 76.72 -27.40 14.96 75.95 -26.72 14.20 76.33 3 0 13.63 -999 ? MG MG B 185 >SER^B 45 -25.84 10.74 74.04 -25.90 8.38 73.43 -25.87 9.56 73.74 2 0 13.34 -999 ? MG MG B 185 >VAL^B 46 -25.68 11.90 70.41 -25.58 14.04 70.89 -25.63 12.97 70.65 3 0 8.52 -999 ? MG MG B 185 >PRO^B 47 -26.26 11.29 66.14 -24.71 10.79 67.66 -25.49 11.04 66.90 3 0 6.85 -999 ? MG MG B 185 >SER^B 48 -20.87 11.60 65.87 -19.52 9.66 65.43 -20.19 10.63 65.65 2 0 9.56 -999 ? MG MG B 185 >GLU^B 49 -23.71 12.60 62.06 -24.24 14.63 62.04 -23.98 13.62 62.05 2 0 -2.59 -999 ? MG MG B 185s >VAL^B 50 -18.38 9.33 61.71 -17.19 10.87 62.71 -17.78 10.10 62.21 3 0 10.20 -999 ? MG MG B 185 >ALA^B 51 -16.90 5.85 62.23 -15.56 5.36 61.66 -16.23 5.60 61.94 2 0 15.14 -999 ? MG MG B 185 >ASP^B 52 -18.08 3.24 66.17 -20.06 3.09 65.46 -19.07 3.16 65.82 2 0 14.85 -999 ? MG MG B 185 >GLN^B 53 -11.57 2.79 65.85 -10.84 3.78 67.60 -11.21 3.28 66.73 2 0 20.09 -999 ? MG MG B 185 >PRO^B 54 -13.40 8.68 65.28 -12.51 6.93 64.22 -12.96 7.81 64.75 3 0 15.50 -999 ? MG MG B 185 >MET?B 55 -9.13 6.41 61.69 -8.81 3.23 62.54 -8.97 4.82 62.11 2 0 21.47 -999 ? MG MG B 185 >SER^B 56 -7.69 9.88 61.08 -9.16 11.14 59.58 -8.43 10.51 60.33 2 0 17.63 -999 ? MG MG B 185 >ASP^B 57 -5.69 13.92 62.85 -5.58 15.53 64.23 -5.64 14.72 63.54 2 0 20.05 -999 ? MG MG B 185 >GLU^B 58 -8.06 15.95 58.74 -6.28 14.81 58.47 -7.17 15.38 58.60 2 0 19.88 -999 ? MG MG B 185 >GLU^B 59 -13.47 10.24 61.11 -13.58 8.31 60.21 -13.52 9.28 60.66 2 0 14.86 -999 ? MG MG B 185 >THR^B 60 -11.65 12.36 65.01 -10.19 11.45 66.34 -10.92 11.91 65.68 2 0 16.58 -999 ? MG MG B 185 >LYS^B 61 -11.92 16.14 65.29 -9.86 22.07 64.28 -10.89 19.10 64.79 2 0 16.66 -999 ? MG MG B 185 >GLN^B 62 -16.18 16.40 60.77 -16.34 18.52 60.98 -16.26 17.46 60.87 2 0 9.62 -999 ? MG MG B 185 >GLY^B 63 -16.70 13.69 65.04 -16.37 14.41 65.30 -16.54 14.05 65.17 1 0 9.57 -999 ? MG MG B 185 >ALA^B 64 -16.26 15.74 68.18 -14.93 16.20 68.78 -15.59 15.97 68.48 2 0 12.12 -999 ? MG MG B 185 >LEU^B 65 -16.83 19.41 65.04 -15.32 20.99 64.96 -16.07 20.20 65.00 3 0 10.33 -999 ? MG MG B 185 >ASN^B 66 -20.56 15.71 64.04 -19.60 15.98 62.16 -20.08 15.85 63.10 2 0 6.05 -999 ? MG MG B 185 >ARG^B 67 -19.87 12.58 70.21 -20.14 9.58 69.54 -20.01 11.08 69.87 2 0 11.07 -999 ? MG MG B 185 >VAL^B 68 -21.35 19.16 69.80 -19.77 20.49 70.53 -20.56 19.83 70.16 3 0 9.32 -999 ? MG MG B 185 >ARG^B 69 -24.08 21.08 63.18 -22.66 23.72 62.60 -23.37 22.40 62.89 2 0 7.65 -999 ? MG MG B 185 >ASN^B 70 -25.78 16.10 67.49 -25.43 15.50 65.47 -25.60 15.80 66.48 2 0 -2.76 -999 ? MG MG B 185s >ALA^B 71 -25.86 18.36 71.36 -24.58 18.40 72.18 -25.22 18.38 71.77 2 0 9.43 -999 ? MG MG B 185 >LYS^B 72 -26.75 22.00 70.82 -22.27 26.42 69.83 -24.51 24.21 70.33 2 0 12.38 -999 ? MG MG B 185 >GLN^B 73 -28.96 21.14 66.23 -28.53 19.96 64.51 -28.74 20.55 65.37 2 0 4.70 -999 ? MG MG B 185 >ARG^B 74 -30.68 14.59 70.73 -29.47 13.32 68.21 -30.07 13.95 69.47 2 0 7.34 -999 ? MG MG B 185 >HIS^B 75 -30.01 18.08 75.57 -30.53 16.05 75.57 -30.27 17.07 75.57 3 0 13.46 -999 ? MG MG B 185 >PRO^B 76 -31.88 23.41 71.84 -30.63 23.34 73.69 -31.26 23.38 72.76 3 0 13.17 -999 ? MG MG B 185 >GLY^B 77 -29.84 26.64 76.33 -29.24 26.22 76.18 -29.54 26.43 76.25 1 0 17.22 -999 ? MG MG B 185 >ALA^B 78 -26.68 25.34 78.01 -26.06 23.97 77.82 -26.37 24.65 77.92 2 0 16.56 -999 ? MG MG B 185 >GLU^B 79 -22.40 29.45 79.80 -21.84 30.24 81.67 -22.12 29.85 80.73 2 0 23.23 -999 ? MG MG A 184 >TYR^B 80 -19.33 26.52 78.57 -17.98 28.89 79.18 -18.65 27.71 78.87 3 0 20.56 -999 ? MG MG B 185 >TYR^B 81 -23.38 22.76 73.99 -25.99 23.70 74.40 -24.68 23.23 74.20 3 0 13.04 -999 ? MG MG B 185 >VAL^B 82 -18.27 19.78 75.31 -16.92 20.00 77.01 -17.59 19.89 76.16 3 0 15.74 -999 ? MG MG B 185 >GLY^B 83 -17.21 17.11 72.85 -16.59 17.45 73.38 -16.90 17.28 73.12 1 0 12.94 -999 ? MG MG B 185 >LEU^B 84 -14.47 14.29 75.14 -12.96 13.25 76.24 -13.71 13.77 75.69 3 0 17.62 -999 ? MG MG B 185 >GLU^B 85 -14.30 11.29 68.56 -16.15 10.30 68.84 -15.23 10.80 68.70 2 0 12.78 -999 ? MG MG B 185 >ALA^B 86 -10.71 9.57 70.83 -10.58 8.41 71.84 -10.64 8.99 71.33 2 0 19.26 -999 ? MG MG B 185 >GLY^B 87 -9.20 8.41 67.55 -8.57 8.47 68.11 -8.89 8.44 67.83 1 0 18.88 -999 ? MG MG B 185 >ILE^B 88 -5.88 5.58 65.94 -7.15 4.90 66.50 -6.51 5.24 66.22 3 0 22.44 -999 ? MG MG B 185 >GLU^B 89 -3.06 10.02 61.42 -4.02 11.74 60.65 -3.54 10.88 61.03 2 0 22.22 -999 ? MG MG B 185 >GLU^B 90 -0.18 7.07 59.85 1.68 7.92 59.30 0.75 7.50 59.57 2 0 28.84 -999 ? MG MG B 185 >ASN^B 91 1.63 3.62 64.59 3.16 5.10 64.77 2.40 4.36 64.68 2 0 24.28 -999 ? MG MG B 184 >LYS^B 92 -0.86 6.99 67.01 3.90 8.49 65.86 1.52 7.74 66.44 2 0 23.27 -999 ? MG MG B 184 >THR^B 93 -3.82 7.55 69.31 -4.51 6.46 71.05 -4.17 7.01 70.18 2 0 18.29 -999 ? MG MG B 184 >PHE^B 94 -4.89 11.64 68.38 -5.68 11.12 65.74 -5.29 11.38 67.06 3 0 21.34 -999 ? MG MG B 185 >ALA^B 95 -8.37 12.62 71.57 -8.88 12.30 72.98 -8.63 12.46 72.27 2 0 18.86 -999 ? MG MG B 184 >TRP^B 96 -8.92 15.52 67.01 -7.71 19.26 67.06 -8.31 17.39 67.04 3 0 17.74 -999 ? MG MG B 185 >MET?B 97 -11.48 18.20 72.89 -10.66 16.06 75.14 -11.07 17.13 74.02 2 0 19.25 -999 ? MG MG B 185 >ILE^B 98 -15.00 20.30 70.49 -14.44 21.07 69.33 -14.72 20.68 69.91 3 0 13.49 -999 ? MG MG B 185 >VAL^B 99 -15.74 23.28 73.95 -15.11 23.65 76.01 -15.43 23.46 74.98 3 0 17.13 -999 ? MG MG B 185 >GLU^B 100 -18.37 24.87 70.05 -19.52 24.13 68.42 -18.94 24.50 69.23 2 0 11.05 -999 ? MG MG B 185 >SER^B 101 -20.26 28.47 74.08 -19.25 30.61 73.58 -19.75 29.54 73.83 2 0 18.63 -999 ? MG MG B 185 >ASP^B 102 -24.10 31.16 72.83 -25.74 30.11 73.62 -24.92 30.63 73.23 2 0 17.16 -999 ? MG MG B 185 >GLN^B 103 -22.03 34.56 71.06 -21.97 36.58 71.76 -22.00 35.57 71.41 2 0 22.07 -999 ? MG MG B 185 >GLN^B 104 -16.57 31.88 73.04 -15.77 33.54 74.12 -16.17 32.71 73.58 2 0 22.48 -999 ? MG MG B 185 >ARG^B 105 -14.95 25.20 67.40 -16.72 25.25 64.92 -15.83 25.23 66.16 2 0 12.49 -999 ? MG MG B 185 >GLY^B 106 -12.32 26.27 72.03 -12.82 25.70 71.59 -12.57 25.98 71.81 1 0 18.70 -999 ? MG MG B 185 >GLU^B 107 -9.94 24.03 68.58 -10.56 23.81 66.57 -10.25 23.92 67.57 2 0 17.01 -999 ? MG MG B 185 >SER^B 108 -7.29 21.15 71.74 -5.57 20.92 73.45 -6.43 21.03 72.60 2 0 17.30 -999 ? MG MG A 184 >ARG^B 109 -4.58 15.58 68.00 -1.59 14.83 68.04 -3.09 15.20 68.02 2 0 22.19 -999 ? MG MG B 184 >SER^B 110 -4.36 15.74 73.55 -5.20 13.49 73.40 -4.78 14.62 73.47 2 0 17.46 -999 ? MG MG B 184 >ALA^B 111 -0.76 14.55 73.32 0.20 14.45 74.48 -0.28 14.50 73.90 2 0 16.09 -999 ? MG MG B 184 >CYH^B 112 -0.51 11.57 70.98 1.15 12.29 68.80 0.32 11.93 69.89 2 0 20.67 -999 ? MG MG B 184 >LEU^B 113 0.23 7.66 73.20 -0.22 5.76 74.11 0.01 6.71 73.65 3 0 15.11 -999 ? MG MG B 184 >MET?B 114 2.40 5.22 69.95 6.45 5.45 68.79 4.43 5.33 69.37 2 0 21.05 -999 ? MG MG B 184 >LEU^B 115 -1.07 1.91 69.71 -2.87 2.56 70.73 -1.97 2.24 70.22 3 0 19.26 -999 ? MG MG B 184 >PRO^B 116 1.35 -1.60 72.35 1.54 -0.85 70.27 1.45 -1.23 71.31 3 0 19.37 -999 ? MG MG B 184 >PRO^B 117 4.23 -3.64 67.15 2.26 -2.59 67.16 3.24 -3.12 67.16 3 0 24.10 -999 ? MG MG B 184 >LEU^B 118 0.63 -6.96 68.62 -0.82 -8.57 68.42 -0.09 -7.76 68.52 3 0 25.09 -999 ? MG MG B 184 >VAL^B 119 -2.57 -3.87 68.99 -2.85 -2.93 70.93 -2.71 -3.40 69.96 3 0 21.69 -999 ? MG MG B 184 >LEU^B 120 -1.33 -0.87 65.44 -2.29 0.89 64.64 -1.81 0.01 65.04 3 0 24.82 -999 ? MG MG B 184 >GLU^B 121 -1.78 -6.70 64.29 -0.60 -8.40 63.80 -1.19 -7.55 64.05 2 0 29.36 -999 ? MG MG B 184 >ARG^B 122 -4.66 -7.93 68.34 -5.40 -10.76 69.24 -5.03 -9.35 68.79 2 0 26.97 -999 ? MG MG B 184 >LEU^B 123 -6.69 -1.71 66.24 -7.23 0.29 66.85 -6.96 -0.71 66.54 3 0 24.54 -999 ? MG MG B 184 >ARG^B 124 -4.05 -1.63 60.23 -1.06 -1.18 59.71 -2.55 -1.40 59.97 2 0 30.22 -999 ? MG MG B 184 >GLN^B 125 -8.23 -6.89 61.24 -7.15 -8.45 62.21 -7.69 -7.67 61.73 2 0 31.14 -999 ? MG MG B 185 >ALA^B 126 -12.45 -2.91 63.56 -13.67 -2.93 62.65 -13.06 -2.92 63.10 2 0 22.91 -999 ? MG MG B 185 >LYS^B 127 -11.75 -5.29 66.45 -13.44 -1.51 71.24 -12.60 -3.40 68.84 2 0 23.35 -999 ? MG MG B 185 >GLY^B 130 -10.60 -0.84 72.25 -9.85 -1.16 72.34 -10.23 -1.00 72.29 1 0 21.15 -999 ? MG MG B 184 >ASP^B 131 -12.11 -4.90 74.41 -13.90 -3.86 74.82 -13.00 -4.38 74.62 2 0 22.51 -999 ? MG MG B 184 >VAL^B 132 -8.03 -5.22 72.18 -7.59 -4.97 70.06 -7.81 -5.09 71.12 3 0 22.80 -999 ? MG MG B 184 >MET?B 133 -5.84 -3.86 74.98 -3.85 -1.13 74.42 -4.85 -2.50 74.70 2 0 16.96 -999 ? MG MG B 184 >ASP^B 134 -6.92 -8.08 76.66 -8.38 -6.93 77.68 -7.65 -7.51 77.17 2 0 19.71 -999 ? MG MG B 184 >GLU^B 135 -2.08 -7.72 73.94 -3.00 -5.91 74.52 -2.54 -6.82 74.23 2 0 19.49 -999 ? MG MG B 184 >ILE^B 142 -7.57 -1.80 79.91 -6.89 -1.36 79.75 -7.23 -1.58 79.83 3 0 14.37 -999 ? MG MG B 184 >LYS^B 143 -10.63 1.11 81.66 -10.97 2.45 76.35 -10.80 1.78 79.00 2 0 17.19 -999 ? MG MG B 184 >GLN^B 144 -11.89 -0.61 85.63 -12.82 -1.96 87.00 -12.35 -1.28 86.32 2 0 15.76 -999 ? MG MG B 184 >LYS^B 145 -6.16 1.30 85.58 -2.36 -3.04 84.46 -4.26 -0.87 85.02 2 0 11.22 -999 ? MG MG B 184 >GLY^B 146 -5.89 4.50 83.56 -6.16 3.84 83.19 -6.03 4.17 83.37 1 0 8.27 -999 ? MG MG B 184 >GLY^B 147 -6.75 3.06 80.16 -6.04 2.99 80.55 -6.39 3.02 80.36 1 0 11.64 -999 ? MG MG B 184 >ALA^B 148 -4.19 2.35 77.45 -4.41 2.56 75.96 -4.30 2.45 76.70 2 0 14.27 -999 ? MG MG B 184 >ILE^B 149 -2.73 6.84 78.68 -2.72 8.22 78.41 -2.72 7.53 78.54 3 0 10.59 -999 ? MG MG B 184 >GLY^B 150 -2.08 4.29 82.18 -1.89 3.86 81.50 -1.98 4.08 81.84 1 0 7.44 -999 ? MG MG B 184 >LEU^B 151 -1.89 -0.23 80.48 -0.68 -2.02 80.52 -1.28 -1.13 80.50 3 0 11.70 -999 ? MG MG B 184 >LEU^B 152 1.27 2.42 77.32 0.62 1.24 75.62 0.95 1.83 76.47 3 0 13.39 -999 ? MG MG B 184 >THR^B 153 3.14 4.52 81.04 1.91 6.31 80.80 2.53 5.41 80.92 2 0 8.23 -999 ? MG MG B 184 >ARG^B 154 7.01 1.26 84.48 9.97 0.57 84.04 8.49 0.91 84.26 2 0 12.80 -999 ? MG MG B 184 >HIS^B 155 -1.28 4.37 87.14 -3.15 5.04 87.82 -2.21 4.71 87.48 3 0 -3.47 -999 ? MG MG B 184s >HIS^B 156 5.25 6.92 85.66 6.40 5.82 87.04 5.82 6.37 86.35 3 0 6.34 -999 ? MG MG B 184 >LEU^B 157 0.51 9.48 81.73 1.61 11.25 81.14 1.06 10.36 81.43 3 0 8.11 -999 ? MG MG B 184 >THR^B 158 -3.53 8.13 82.87 -4.19 8.52 84.89 -3.86 8.32 83.88 2 0 5.89 -999 ? MG MG B 184 >ARG^B 159 -9.12 7.40 78.18 -11.43 5.53 78.93 -10.28 6.46 78.55 2 0 15.16 -999 ? MG MG B 184 >SER^B 160 -7.73 11.19 82.90 -9.10 9.75 84.31 -8.42 10.47 83.60 2 0 10.48 -999 ? MG MG B 184 >THR^B 161 -4.59 13.26 83.50 -3.22 12.12 84.74 -3.91 12.69 84.12 2 0 7.23 -999 ? MG MG B 184 >VAL^B 162 -3.88 13.49 79.76 -2.85 12.17 78.36 -3.37 12.83 79.06 3 0 11.79 -999 ? MG MG B 184 >TYR^B 163 -8.90 12.55 78.08 -9.29 10.50 76.23 -9.10 11.53 77.16 3 0 15.41 -999 ? MG MG B 184 >HIS^B 164 -7.01 17.87 84.18 -7.44 19.34 85.62 -7.22 18.61 84.90 3 0 11.54 -999 ? MG MG A 184 >GLN^B 165 -2.40 17.98 81.00 -0.31 18.41 81.01 -1.36 18.19 81.01 2 0 11.37 -999 ? MG MG A 184 >ALA^B 166 -6.25 19.06 76.70 -6.57 17.84 75.83 -6.41 18.45 76.27 2 0 17.01 -999 ? MG MG A 184 >LEU^B 167 -10.32 19.41 79.37 -12.00 18.10 78.95 -11.16 18.75 79.16 3 0 16.75 -999 ? MG MG A 184 >ILE^B 168 -6.74 23.00 81.12 -6.22 23.29 82.44 -6.48 23.15 81.78 3 0 10.18 -999 ? MG MG A 184 >LEU^B 169 -5.16 23.19 75.99 -3.07 23.05 76.53 -4.11 23.12 76.26 3 0 13.65 -999 ? MG MG A 184 >ALA^B 170 -9.48 23.96 74.99 -10.37 22.73 74.81 -9.92 23.34 74.90 2 0 17.83 -999 ? MG MG A 184 >LEU^B 171 -11.01 26.22 78.98 -12.64 25.13 79.90 -11.82 25.67 79.44 3 0 15.09 -999 ? MG MG A 184 >ILE^B 172 -6.89 29.01 75.83 -6.28 28.78 76.35 -6.59 28.89 76.09 3 0 14.44 -999 ? MG MG A 184 >PRO^B 173 -10.21 29.52 72.85 -10.09 30.69 74.75 -10.15 30.11 73.80 3 0 18.39 -999 ? MG MG A 184 >PHE^B 174 -14.50 29.47 76.57 -15.52 28.13 74.34 -15.01 28.80 75.45 3 0 20.17 -999 ? MG MG A 184 >ILE^B 175 -9.17 31.29 80.22 -8.43 30.44 81.14 -8.80 30.87 80.68 3 0 12.64 -999 ? MG MG A 184 >ASN^B 176 -7.52 34.89 77.38 -6.34 33.76 78.74 -6.93 34.33 78.06 2 0 13.79 -999 ? MG MG A 184 >PRO^B 177 -13.14 36.18 78.00 -11.46 36.51 76.59 -12.30 36.34 77.29 3 0 19.37 -999 ? MG MG A 184 >GLU^B 178 -9.48 40.42 78.11 -8.84 38.50 78.75 -9.16 39.46 78.43 2 0 17.80 -999 ? MG MG A 184 >HIS^B 179 -5.64 38.21 74.89 -4.60 39.58 76.10 -5.12 38.89 75.49 3 0 18.72 -999 ? MG MG A 184 >TYR^B 180 -8.66 33.62 72.35 -6.10 32.56 72.77 -7.38 33.09 72.56 3 0 18.91 -999 ? MG MG A 184 >PRO^B 181 -11.20 38.42 68.37 -12.19 37.25 69.97 -11.70 37.84 69.17 3 0 25.38 -999 ? MG MG A 184 >SER^B 182 -15.84 35.85 68.04 -15.98 37.37 66.14 -15.91 36.61 67.09 2 0 23.04 -999 ? MG MG B 185