REMARK SOURCE hebe.pdb HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 05-JUL-04 1TXL COMPND METAL-BINDING PROTEIN YODA; COMPND 3 CHAIN: A; COMPND 4 SYNONYM: CADMIUM-INDUCED PROTEIN YODA; COMPND 5 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; SOURCE 3 ORGANISM_TAXID: 562; SOURCE 4 GENE: YODA, B1973; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 6 EXPRESSION_SYSTEM_TAXID: 562 AUTHOR S.ESWARAMOORTHY,S.SWAMINATHAN,S.K.BURLEY,NEW YORK SGX AUTHOR 2 RESEARCH CENTER FOR STRUCTURAL GENOMICS (NYSGXRC) HET ZN A 216 1 SSBOND 1 CYS A 125 CYS A 150 1555 1555 2.04 SITE 1 AC1 4 HIS A 166 HIS A 175 HIS A 177 HOH A 218 >HIS.A 28 25.31 46.69 30.96 27.41 46.83 30.93 26.36 46.76 30.94 3 0 16.81 -999 ? ZN ZN A 216 >GLY.A 29 19.80 46.35 28.00 20.10 46.94 28.49 19.95 46.65 28.25 1 0 15.87 -999 ? ZN ZN A 216 >LYS.A 30 16.90 48.63 28.93 12.56 51.10 25.81 14.73 49.86 27.37 2 0 21.89 -999 ? ZN ZN A 216 >PRO.A 31 16.47 50.70 32.71 15.84 48.74 31.85 16.15 49.72 32.28 3 0 17.55 -999 ? ZN ZN A 216 >LEU.A 32 12.74 44.81 33.66 14.08 43.16 33.25 13.41 43.98 33.45 3 0 12.64 -999 ? ZN ZN A 216 >THR~A 33 9.18 47.43 33.15 8.19 47.11 31.27 8.69 47.27 32.21 2 0 18.38 -999 ? ZN ZN A 216 >GLU~A 34 6.43 48.81 37.12 4.83 50.13 37.46 5.63 49.47 37.29 2 0 22.20 -999 ? ZN ZN A 216 >VAL~A 35 5.37 43.90 34.07 3.91 43.89 32.44 4.64 43.89 33.25 3 0 18.08 -999 ? ZN ZN A 216 >GLU~A 36 9.24 43.57 30.72 10.55 44.87 29.68 9.89 44.22 30.20 2 0 15.90 -999 ? ZN ZN A 216 >GLN~A 37 11.33 44.74 37.07 11.18 46.56 38.21 11.25 45.65 37.64 2 0 15.79 -999 ? ZN ZN A 216 >LYS~A 38 7.01 40.72 37.74 1.68 42.49 39.26 4.35 41.61 38.50 2 0 19.77 -999 ? ZN ZN A 216 >ALA~A 39 7.28 38.18 34.92 7.32 38.53 33.44 7.30 38.36 34.18 2 0 12.96 -999 ? ZN ZN A 216 >ALA~A 40 10.93 37.63 35.79 12.00 38.73 35.80 11.47 38.18 35.79 2 0 8.90 -999 ? ZN ZN A 216 >ASN~A 41 9.34 38.09 40.35 10.79 39.62 40.60 10.07 38.86 40.47 2 0 11.31 -999 ? ZN ZN A 216 >GLY.A 42 7.37 34.37 38.06 7.12 35.11 38.18 7.25 34.74 38.12 1 0 11.52 -999 ? ZN ZN A 216 >VAL.A 43 4.23 36.49 38.01 3.50 37.38 39.86 3.86 36.93 38.94 3 0 15.58 -999 ? ZN ZN A 216 >PHE.A 44 4.11 35.54 33.41 5.09 32.94 32.99 4.60 34.24 33.20 3 0 14.39 -999 ? ZN ZN A 216 >ASP~A 45 -1.92 36.58 32.76 -2.58 37.16 34.69 -2.25 36.87 33.72 2 0 21.69 -999 ? ZN ZN A 216 >ASP~A 46 -1.44 32.27 29.61 -0.91 30.56 30.75 -1.18 31.41 30.18 2 0 20.38 -999 ? ZN ZN A 216 >ALA~A 47 -1.73 36.23 27.50 -3.01 37.04 27.69 -2.37 36.63 27.59 2 0 23.60 -999 ? ZN ZN A 216 >ASN~A 48 1.95 38.58 29.67 0.43 39.24 31.04 1.19 38.91 30.36 2 0 19.96 -999 ? ZN ZN A 216 >VAL~A 49 3.80 35.54 26.88 4.42 33.63 27.73 4.11 34.58 27.30 3 0 17.08 -999 ? ZN ZN A 216 >GLN.A 50 4.34 38.33 23.21 4.64 40.14 22.14 4.49 39.23 22.67 2 0 21.11 -999 ? ZN ZN A 216 >ASN.A 51 6.82 33.44 19.53 5.32 31.95 19.65 6.07 32.70 19.59 2 0 21.21 -999 ? ZN ZN A 216 >ARG.A 52 11.64 35.22 24.38 14.15 35.47 26.10 12.89 35.35 25.24 2 0 11.31 -999 ? ZN ZN A 216 >THR~A 53 13.73 33.92 18.07 13.79 35.64 16.78 13.76 34.78 17.43 2 0 20.15 -999 ? ZN ZN A 216 >LEU~A 54 17.57 31.02 17.75 19.27 29.92 18.48 18.42 30.47 18.11 3 0 18.18 -999 ? ZN ZN A 216 >SER~A 55 18.76 35.42 17.95 17.09 36.72 16.73 17.92 36.07 17.34 2 0 19.87 -999 ? ZN ZN A 216 >ASP~A 56 16.39 36.37 22.15 14.92 37.88 21.77 15.65 37.12 21.96 2 0 15.69 -999 ? ZN ZN A 216 >TRP~A 57 18.97 33.14 25.34 15.51 32.32 23.66 17.24 32.73 24.50 3 0 11.72 -999 ? ZN ZN A 216 >ASP~A 58 22.91 36.26 18.85 21.98 35.45 17.16 22.45 35.85 18.01 2 0 19.47 -999 ? ZN ZN A 216 >GLY^A 59 26.66 35.52 21.21 26.45 34.73 21.08 26.56 35.13 21.15 1 0 17.18 -999 ? ZN ZN A 216 >VAL^A 60 29.37 33.53 22.95 31.36 33.35 22.12 30.37 33.44 22.53 3 0 17.99 -999 ? ZN ZN A 216 >TRP^A 61 25.96 32.56 24.41 23.96 35.36 26.32 24.96 33.96 25.36 3 0 12.56 -999 ? ZN ZN A 216 >GLN^A 62 31.03 32.66 31.09 32.50 33.95 31.91 31.77 33.30 31.50 2 0 14.57 -999 ? ZN ZN A 216 >SER^A 63 29.25 28.28 31.82 29.11 26.16 32.97 29.18 27.22 32.40 2 0 12.81 -999 ? ZN ZN A 216 >VAL~A 64 29.28 29.64 35.37 27.36 30.63 35.65 28.32 30.14 35.51 3 0 10.08 -999 ? ZN ZN A 216 >TYR~A 65 30.00 23.69 37.10 30.20 21.41 38.73 30.10 22.55 37.92 3 0 15.48 -999 ? ZN ZN A 216 >PRO~A 66 33.77 26.56 34.70 33.09 26.79 36.79 33.43 26.68 35.74 3 0 16.03 -999 ? ZN ZN A 216 >LEU~A 67 32.36 31.19 38.69 33.00 32.66 37.25 32.68 31.93 37.97 3 0 14.21 -999 ? ZN ZN A 216 >LEU~A 68 29.90 27.23 41.34 28.73 25.83 42.49 29.32 26.53 41.91 3 0 13.67 -999 ? ZN ZN A 216 >GLN~A 69 33.19 23.63 39.82 33.87 22.38 38.24 33.53 23.00 39.03 2 0 18.58 -999 ? ZN ZN A 216 >SER~A 70 36.61 27.81 42.27 36.15 29.93 41.21 36.38 28.87 41.74 2 0 18.47 -999 ? ZN ZN A 216 >GLY.A 71 34.71 29.40 45.13 34.74 29.79 44.41 34.73 29.60 44.77 1 0 18.74 -999 ? ZN ZN A 216 >LYS.A 72 34.30 32.74 43.38 36.81 36.67 40.22 35.56 34.70 41.80 2 0 19.05 -999 ? ZN ZN A 216 >LEU~A 73 29.64 31.55 42.85 29.40 31.92 40.73 29.52 31.74 41.79 3 0 12.33 -999 ? ZN ZN A 216 >ASP~A 74 31.96 31.69 48.21 32.22 29.60 48.34 32.09 30.65 48.28 2 0 18.55 -999 ? ZN ZN A 216 >PRO~A 75 32.14 36.17 47.18 30.29 35.15 47.82 31.22 35.66 47.50 3 0 17.21 -999 ? ZN ZN A 216 >VAL~A 76 26.74 35.29 46.25 26.14 35.14 44.16 26.44 35.21 45.21 3 0 12.22 -999 ? ZN ZN A 216 >PHE~A 77 26.46 30.49 46.93 26.79 29.67 44.28 26.63 30.08 45.61 3 0 12.69 -999 ? ZN ZN A 216 >GLN~A 78 28.66 35.33 53.03 30.56 36.29 53.12 29.61 35.81 53.07 2 0 21.05 -999 ? ZN ZN A 216 >LYS~A 79 24.74 37.11 50.77 23.00 42.04 47.16 23.87 39.58 48.97 2 0 15.05 -999 ? ZN ZN A 216 >LYS~A 80 21.74 34.96 50.02 21.82 34.83 44.45 21.78 34.90 47.24 2 0 9.14 -999 ? ZN ZN A 216 >ALA~A 81 22.16 32.93 53.22 23.36 32.06 53.59 22.76 32.49 53.41 2 0 18.10 -999 ? ZN ZN A 216 >ASP~A 82 23.42 37.12 55.36 25.35 36.47 55.97 24.38 36.79 55.66 2 0 21.26 -999 ? ZN ZN A 216 >ALA~A 83 19.27 37.33 53.66 19.25 37.81 52.22 19.26 37.57 52.94 2 0 16.86 -999 ? ZN ZN A 216 >ASP~A 84 17.26 33.18 52.62 15.56 31.94 52.64 16.41 32.56 52.63 2 0 16.80 -999 ? ZN ZN A 216 >LYS.A 85 17.12 32.87 57.49 19.31 37.37 59.85 18.22 35.12 58.67 2 0 24.16 -999 ? ZN ZN A 216 >THR.A 86 15.46 29.62 56.35 13.64 30.21 55.38 14.55 29.91 55.87 2 0 20.04 -999 ? ZN ZN A 216 >LYS.A 87 18.40 28.56 54.17 14.36 27.09 52.76 16.38 27.82 53.46 2 0 18.08 -999 ? ZN ZN A 216 >THR~A 88 21.93 27.63 55.21 21.89 25.64 56.01 21.91 26.64 55.61 2 0 21.36 -999 ? ZN ZN A 216 >PHE~A 89 27.40 28.97 52.58 29.32 29.28 50.57 28.36 29.12 51.57 3 0 18.61 -999 ? ZN ZN A 216 >ALA~A 90 25.40 24.75 52.26 25.68 23.65 53.27 25.54 24.20 52.77 2 0 20.66 -999 ? ZN ZN A 216 >GLU~A 91 20.42 23.80 53.33 18.74 24.29 54.52 19.58 24.04 53.93 2 0 20.25 -999 ? ZN ZN A 216 >ILE~A 92 22.33 28.83 49.30 21.90 30.23 49.33 22.11 29.53 49.31 3 0 14.01 -999 ? ZN ZN A 216 >LYS~A 93 25.40 26.34 47.41 31.68 26.69 47.34 28.54 26.52 47.37 2 0 18.25 -999 ? ZN ZN A 216 >ASP~A 94 23.63 21.85 48.07 25.22 21.21 49.36 24.42 21.53 48.72 2 0 18.77 -999 ? ZN ZN A 216 >TYR~A 95 19.18 25.80 44.60 17.32 26.77 42.75 18.25 26.28 43.67 3 0 9.95 -999 ? ZN ZN A 216 >TYR~A 96 23.00 28.51 43.03 21.00 30.46 43.03 22.00 29.49 43.03 3 0 8.35 -999 ? ZN ZN A 216 >HIS~A 97 27.46 21.41 43.35 29.03 20.05 43.01 28.25 20.73 43.18 3 0 16.95 -999 ? ZN ZN A 216 >LYS~A 98 23.12 20.76 41.23 20.15 18.22 46.14 21.63 19.49 43.68 2 0 17.73 -999 ? ZN ZN A 216 >GLY~A 99 21.81 23.54 39.02 22.55 23.28 39.04 22.18 23.41 39.03 1 0 10.20 -999 ? ZN ZN A 216 >TYR~A 100 25.36 26.99 38.39 24.26 29.47 39.03 24.81 28.23 38.71 3 0 8.11 -999 ? ZN ZN A 216 >ALA~A 101 26.92 21.34 36.91 26.66 20.10 37.74 26.79 20.72 37.33 2 0 15.10 -999 ? ZN ZN A 216 >THR.A 102 27.98 20.68 33.31 27.52 22.16 31.83 27.75 21.42 32.57 2 0 14.51 -999 ? ZN ZN A 216 >ASP.A 103 31.40 18.48 30.88 30.13 17.34 29.64 30.76 17.91 30.26 2 0 20.33 -999 ? ZN ZN A 216 >ILE^A 104 28.33 22.28 27.75 27.33 21.98 26.85 27.83 22.13 27.30 3 0 16.63 -999 ? ZN ZN A 216 >GLU^A 105 34.12 24.92 27.58 35.69 23.56 27.19 34.91 24.24 27.39 2 0 21.37 -999 ? ZN ZN A 216 >MET^A 106 31.04 27.26 26.25 33.49 29.14 23.48 32.27 28.20 24.86 2 0 19.87 -999 ? ZN ZN A 216 >ILE^A 107 26.68 27.75 24.60 25.41 27.01 24.79 26.04 27.38 24.70 3 0 14.67 -999 ? ZN ZN A 216 >GLY^A 108 28.16 29.92 20.80 27.52 29.34 20.86 27.84 29.63 20.83 1 0 18.29 -999 ? ZN ZN A 216 >ILE^A 109 23.80 31.28 19.96 22.55 30.86 20.56 23.18 31.07 20.26 3 0 16.61 -999 ? ZN ZN A 216 >GLU^A 110 26.52 34.29 14.29 28.47 34.66 13.56 27.49 34.48 13.93 2 0 24.71 -999 ? ZN ZN A 216 >ASP.A 111 23.79 32.83 11.27 24.61 34.78 10.99 24.20 33.80 11.13 2 0 25.93 -999 ? ZN ZN A 216 >GLY.A 112 20.51 30.03 13.69 21.27 30.01 13.82 20.89 30.02 13.75 1 0 22.70 -999 ? ZN ZN A 216 >ILE^A 113 24.55 27.54 13.84 25.33 26.71 12.91 24.94 27.12 13.38 3 0 24.30 -999 ? ZN ZN A 216 >VAL^A 114 23.96 26.70 18.36 22.47 26.67 19.92 23.22 26.69 19.14 3 0 18.64 -999 ? ZN ZN A 216 >GLU^A 115 29.52 24.78 17.81 30.99 25.69 16.62 30.26 25.23 17.21 2 0 24.18 -999 ? ZN ZN A 216 >PHE^A 116 25.95 22.50 22.46 23.26 23.08 21.91 24.61 22.79 22.19 3 0 18.18 -999 ? ZN ZN A 216 >HIS^A 117 32.97 24.88 22.28 32.93 25.96 20.48 32.95 25.42 21.38 3 0 21.86 -999 ? ZN ZN A 216 >ARG^A 118 30.96 16.30 26.40 28.48 15.19 27.83 29.72 15.74 27.11 2 0 21.82 -999 ? ZN ZN A 216 >ASN.A 119 36.24 18.02 26.62 35.31 16.99 28.22 35.77 17.50 27.42 2 0 24.31 -999 ? ZN ZN A 216 >ASN.A 120 39.49 19.51 23.44 40.67 20.66 22.11 40.08 20.09 22.78 2 0 28.81 -999 ? ZN ZN A 216 >GLU^A 121 35.98 16.27 21.50 35.72 14.75 22.96 35.85 15.51 22.23 2 0 28.13 -999 ? ZN ZN A 216 >THR^A 122 32.33 20.54 19.53 32.65 22.64 19.02 32.49 21.59 19.28 2 0 24.35 -999 ? ZN ZN A 216 >THR^A 123 28.84 19.67 18.27 28.17 18.37 19.87 28.50 19.02 19.07 2 0 23.74 -999 ? ZN ZN A 216 >SER^A 124 26.36 21.96 16.54 27.53 22.48 14.50 26.95 22.22 15.52 2 0 25.57 -999 ? ZN ZN A 216 >CSS^A 125 22.98 22.19 14.83 20.52 20.80 14.56 21.75 21.49 14.70 2 0 24.76 -999 ? ZN ZN A 216 >LYS.A 126 20.88 24.76 13.01 17.49 27.01 9.12 19.19 25.89 11.07 2 0 27.65 -999 ? ZN ZN A 216 >TYR.A 127 18.89 23.80 17.78 20.41 21.89 19.14 19.65 22.85 18.46 3 0 20.31 -999 ? ZN ZN A 216 >ASP^A 128 13.67 23.96 13.55 14.92 23.22 11.99 14.30 23.59 12.77 2 0 26.23 -999 ? ZN ZN A 216 >TYR^A 129 10.81 28.93 17.68 9.35 30.18 19.69 10.08 29.55 18.69 3 0 19.70 -999 ? ZN ZN A 216 >ASP^A 130 9.59 23.39 18.81 8.07 21.94 18.53 8.83 22.66 18.67 2 0 23.22 -999 ? ZN ZN A 216 >GLY^A 131 7.50 27.38 20.39 8.18 27.07 20.70 7.84 27.22 20.54 1 0 20.03 -999 ? ZN ZN A 216 >TYR^A 132 5.94 30.00 24.35 3.50 31.28 23.92 4.72 30.64 24.13 3 0 18.49 -999 ? ZN ZN A 216 >LYS^A 133 5.78 26.17 27.17 2.95 22.60 29.22 4.36 24.38 28.20 2 0 19.93 -999 ? ZN ZN A 216 >ILE^A 134 3.27 28.92 30.20 2.67 30.24 30.13 2.97 29.58 30.17 3 0 17.05 -999 ? ZN ZN A 216 >LEU^A 135 6.63 25.39 33.60 7.42 23.72 32.49 7.03 24.55 33.05 3 0 14.55 -999 ? ZN ZN A 216 >THR^A 136 3.59 26.46 36.78 1.53 26.93 37.11 2.56 26.70 36.95 2 0 18.08 -999 ? ZN ZN A 216 >TYR.A 137 8.06 26.36 38.57 9.51 26.46 36.18 8.78 26.41 37.38 3 0 11.78 -999 ? ZN ZN A 216 >LYS.A 138 5.17 23.72 42.82 10.22 22.55 42.05 7.69 23.13 42.43 2 0 14.49 -999 ? ZN ZN A 216 >SER.A 139 5.55 27.08 44.61 6.98 28.79 43.66 6.27 27.93 44.14 2 0 14.41 -999 ? ZN ZN A 216 >GLY.A 140 2.93 28.65 42.37 3.72 28.72 42.12 3.33 28.69 42.24 1 0 17.37 -999 ? ZN ZN A 216 >LYS.A 141 5.35 30.86 40.45 5.17 33.26 44.46 5.26 32.06 42.46 2 0 15.82 -999 ? ZN ZN A 216 >LYS^A 142 5.54 30.56 36.69 0.35 32.09 34.25 2.95 31.33 35.47 2 0 18.37 -999 ? ZN ZN A 216 >GLY^A 143 8.21 30.56 34.01 7.52 30.14 33.73 7.86 30.35 33.87 1 0 10.85 -999 ? ZN ZN A 216 >VAL^A 144 8.49 30.14 30.25 7.32 31.33 28.88 7.90 30.73 29.57 3 0 12.73 -999 ? ZN ZN A 216 >ARG^A 145 12.13 25.64 30.60 12.50 23.24 32.50 12.32 24.44 31.55 2 0 11.91 -999 ? ZN ZN A 216 >TYR^A 146 11.27 30.83 24.67 9.53 32.87 25.45 10.40 31.85 25.06 3 0 13.83 -999 ? ZN ZN A 216 >LEU^A 147 10.81 23.98 22.86 9.75 23.38 24.64 10.28 23.68 23.75 3 0 17.49 -999 ? ZN ZN A 216 >PHE^A 148 15.15 26.50 19.82 14.74 29.26 19.95 14.95 27.88 19.89 3 0 17.37 -999 ? ZN ZN A 216 >GLU^A 149 13.45 18.69 17.51 11.68 17.80 16.75 12.57 18.24 17.13 2 0 25.47 -999 ? ZN ZN A 216 >CSS.A 150 17.54 19.57 15.96 20.11 18.89 15.15 18.83 19.23 15.56 2 0 25.21 -999 ? ZN ZN A 216 >LYS.A 151 16.37 17.91 12.77 10.22 19.04 13.13 13.29 18.48 12.95 2 0 28.08 -999 ? ZN ZN A 216 >ASP.A 152 20.78 18.76 11.15 22.15 18.72 9.55 21.46 18.74 10.35 2 0 30.29 -999 ? ZN ZN A 216 >PRO.A 153 20.06 14.16 8.68 20.28 14.54 10.85 20.17 14.35 9.77 3 0 32.21 -999 ? ZN ZN A 216 >GLU.A 154 24.20 14.87 8.14 23.94 12.85 7.53 24.07 13.86 7.83 2 0 35.27 -999 ? ZN ZN A 216 >SER.A 155 24.35 16.49 13.85 23.73 18.25 15.41 24.04 17.37 14.63 2 0 25.83 -999 ? ZN ZN A 216 >LYS.A 156 25.62 15.13 17.17 26.49 10.73 14.30 26.06 12.93 15.73 2 0 32.02 -999 ? ZN ZN A 216 >ALA.A 157 24.25 18.04 19.22 24.05 19.46 18.67 24.15 18.75 18.94 2 0 22.63 -999 ? ZN ZN A 216 >PRO.A 158 22.54 18.75 23.14 21.87 17.76 21.26 22.21 18.26 22.20 3 0 20.45 -999 ? ZN ZN A 216 >LYS.A 159 18.02 16.68 19.72 13.68 12.20 18.35 15.85 14.44 19.03 2 0 27.65 -999 ? ZN ZN A 216 >TYR^A 160 14.20 17.15 22.03 12.77 15.23 20.59 13.48 16.19 21.31 3 0 22.84 -999 ? ZN ZN A 216 >ILE^A 161 18.18 22.85 23.32 19.05 23.25 22.28 18.61 23.05 22.80 3 0 16.52 -999 ? ZN ZN A 216 >GLN^A 162 13.31 22.84 26.35 11.93 22.00 27.75 12.62 22.42 27.05 2 0 15.21 -999 ? ZN ZN A 216 >PHE^A 163 17.52 28.96 24.98 19.64 28.30 23.29 18.58 28.63 24.13 3 0 12.71 -999 ? ZN ZN A 216 >SER^A 164 14.80 29.74 30.14 13.62 29.20 32.18 14.21 29.47 31.16 2 0 7.31 -999 ? ZN ZN A 216 >ASP.A 165 16.81 33.79 30.00 15.65 34.49 28.37 16.23 34.14 29.19 2 0 8.49 -999 ? ZN ZN A 216 >HIS.A 166 14.91 34.55 34.99 15.99 33.05 35.98 15.45 33.80 35.49 3 0 -3.39 -999 ? ZN ZN A 216s >ILE.A 167 13.11 37.10 28.96 13.96 38.07 28.35 13.54 37.58 28.65 3 0 10.24 -999 ? ZN ZN A 216 >ILE.A 168 7.41 35.98 29.21 6.71 36.33 30.42 7.06 36.16 29.81 3 0 13.60 -999 ? ZN ZN A 216 >ALA.A 169 8.77 38.26 25.20 7.86 39.46 25.44 8.31 38.86 25.32 2 0 16.58 -999 ? ZN ZN A 216 >PRO.A 170 9.80 38.97 20.95 10.79 39.15 22.95 10.30 39.06 21.95 3 0 17.61 -999 ? ZN ZN A 216 >ARG.A 171 14.58 41.71 28.14 14.75 44.63 29.09 14.66 43.17 28.61 2 0 14.32 -999 ? ZN ZN A 216 >LYS.A 172 18.23 40.09 24.25 19.63 39.80 18.96 18.93 39.94 21.60 2 0 18.59 -999 ? ZN ZN A 216 >SER.A 173 19.08 37.63 27.00 19.25 35.45 28.06 19.17 36.54 27.53 2 0 8.54 -999 ? ZN ZN A 216 >SER.A 174 21.60 38.72 29.63 20.74 39.15 31.87 21.17 38.94 30.75 2 0 7.96 -999 ? ZN ZN A 216 >HIS.A 175 21.43 35.03 33.38 19.83 34.94 34.72 20.63 34.98 34.05 3 0 -3.65 -999 ? ZN ZN A 216s >PHE^A 176 21.02 31.19 28.06 23.09 30.10 26.52 22.05 30.64 27.29 3 0 9.73 -999 ? ZN ZN A 216 >HIS^A 177 18.75 29.30 33.95 19.26 30.76 35.37 19.01 30.03 34.66 3 0 -3.15 -999 ? ZN ZN A 216s >ILE^A 178 20.62 25.81 28.02 21.53 25.28 27.05 21.08 25.55 27.54 3 0 11.51 -999 ? ZN ZN A 216 >PHE^A 179 16.18 22.81 30.81 15.61 24.19 33.17 15.90 23.50 31.99 3 0 10.53 -999 ? ZN ZN A 216 >MET^A 180 19.41 19.66 26.70 23.08 21.61 26.58 21.25 20.64 26.64 2 0 15.37 -999 ? ZN ZN A 216 >GLY^A 181 18.31 16.11 25.93 18.31 16.49 25.22 18.31 16.30 25.58 1 0 19.55 -999 ? ZN ZN A 216 >ASN.A 182 18.89 12.51 23.06 20.65 13.68 22.81 19.77 13.10 22.94 2 0 23.38 -999 ? ZN ZN A 216 >ASP.A 183 14.30 11.34 26.13 16.14 10.93 27.05 15.22 11.14 26.59 2 0 23.79 -999 ? ZN ZN A 216 >SER~A 184 11.62 14.24 24.49 10.27 13.38 26.34 10.94 13.81 25.42 2 0 23.29 -999 ? ZN ZN A 216 >GLN~A 185 10.54 19.15 22.95 12.06 20.65 23.13 11.30 19.90 23.04 2 0 18.96 -999 ? ZN ZN A 216 >GLN~A 186 6.50 15.48 29.19 5.55 17.27 29.88 6.02 16.38 29.53 2 0 21.23 -999 ? ZN ZN A 216 >SER~A 187 11.32 15.04 29.68 13.33 13.75 29.91 12.32 14.39 29.80 2 0 20.71 -999 ? ZN ZN A 216 >LEU~A 188 13.64 19.14 28.51 15.54 18.65 27.60 14.59 18.89 28.05 3 0 16.57 -999 ? ZN ZN A 216 >LEU~A 189 8.61 20.10 30.43 8.05 21.27 28.71 8.33 20.68 29.57 3 0 17.19 -999 ? ZN ZN A 216 >ASN~A 190 10.04 16.14 33.76 8.10 15.58 33.06 9.07 15.86 33.41 2 0 20.40 -999 ? ZN ZN A 216 >GLU.A 191 15.83 17.91 33.75 17.21 17.75 35.37 16.52 17.83 34.56 2 0 15.12 -999 ? ZN ZN A 216 >MET.A 192 13.94 21.02 37.94 10.85 22.28 37.76 12.39 21.65 37.85 2 0 13.16 -999 ? ZN ZN A 216 >GLU.A 193 17.58 17.94 39.46 17.92 16.25 40.67 17.75 17.10 40.06 2 0 17.15 -999 ? ZN ZN A 216 >ASN.A 194 20.67 19.41 36.16 22.33 19.80 34.89 21.50 19.61 35.53 2 0 13.56 -999 ? ZN ZN A 216 >TRP.A 195 17.77 23.74 36.88 19.71 26.21 39.24 18.74 24.98 38.06 3 0 8.04 -999 ? ZN ZN A 216 >PRO.A 196 23.64 22.48 32.06 22.95 24.31 33.11 23.29 23.39 32.59 3 0 11.07 -999 ? ZN ZN A 216 >THR^A 197 23.77 28.44 33.23 22.86 29.42 34.92 23.32 28.93 34.07 2 0 5.55 -999 ? ZN ZN A 216 >TYR^A 198 25.74 28.88 29.27 26.37 26.16 29.28 26.06 27.52 29.27 3 0 11.41 -999 ? ZN ZN A 216 >TYR^A 199 26.28 34.96 33.46 24.41 34.99 35.51 25.34 34.98 34.49 3 0 7.27 -999 ? ZN ZN A 216 >PRO^A 200 26.66 38.13 28.65 27.88 36.27 28.79 27.27 37.20 28.72 3 0 12.23 -999 ? ZN ZN A 216 >TYR.A 201 33.77 34.16 26.20 36.51 33.53 26.13 35.14 33.85 26.16 3 0 19.33 -999 ? ZN ZN A 216 >GLN.A 202 31.18 39.70 26.13 30.42 37.92 25.18 30.80 38.81 25.65 2 0 16.91 -999 ? ZN ZN A 216 >LEU.A 203 30.43 38.98 31.42 29.04 40.35 32.30 29.73 39.67 31.86 3 0 13.76 -999 ? ZN ZN A 216 >SER~A 204 34.58 39.42 33.56 34.48 41.27 35.13 34.53 40.34 34.35 2 0 18.02 -999 ? ZN ZN A 216 >SER~A 205 34.27 37.03 36.51 36.51 36.83 37.45 35.39 36.93 36.98 2 0 18.39 -999 ? ZN ZN A 216 >GLU~A 206 34.34 42.30 39.79 35.88 43.37 40.72 35.11 42.84 40.25 2 0 20.76 -999 ? ZN ZN A 216 >GLU~A 207 31.99 42.94 35.14 32.30 43.39 33.10 32.14 43.17 34.12 2 0 17.58 -999 ? ZN ZN A 216 >VAL~A 208 29.33 37.88 36.87 29.71 35.95 35.95 29.52 36.92 36.41 3 0 11.67 -999 ? ZN ZN A 216 >VAL~A 209 29.35 37.90 40.66 30.77 37.35 42.21 30.06 37.62 41.44 3 0 13.51 -999 ? ZN ZN A 216 >GLU~A 210 29.92 43.28 40.68 30.54 45.14 39.83 30.23 44.21 40.26 2 0 17.56 -999 ? ZN ZN A 216 >GLU~A 211 25.31 41.30 36.02 25.14 40.71 34.00 25.22 41.01 35.01 2 0 10.49 -999 ? ZN ZN A 216 >MET~A 212 24.08 37.63 40.57 26.35 34.25 39.97 25.22 35.94 40.27 2 0 8.75 -999 ? ZN ZN A 216 >MET~A 213 24.28 39.66 43.78 27.99 39.36 45.73 26.13 39.51 44.76 2 0 14.94 -999 ? ZN ZN A 216 >SER~A 214 22.85 42.89 42.35 24.17 44.92 42.59 23.51 43.90 42.47 2 0 14.82 -999 ? ZN ZN A 216 >HIS~A 215 18.22 40.44 40.34 17.10 38.71 39.93 17.66 39.58 40.14 3 0 7.94 -999 ? ZN ZN A 216