REMARK SOURCE hebe.pdb HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 31-MAR-07 2YQY COMPND HYPOTHETICAL PROTEIN TTHA0303; COMPND 3 CHAIN: A, B; COMPND 4 SYNONYM: TT2238; COMPND 5 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS THERMOPHILUS; SOURCE 3 ORGANISM_TAXID: 300852; SOURCE 4 STRAIN: HB8; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 6 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 7 EXPRESSION_SYSTEM_STRAIN: B834(DE3)PLYSS; SOURCE 8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 9 EXPRESSION_SYSTEM_PLASMID: PET-11A-TT2238 AUTHOR K.NAGATA,J.OHTSUKA,H.IINO,A.EBIHARA,S.YOKOYAMA,S.KURAMITSU,M.TANOKURA >THR~A 9 70.00 72.09 8.83 68.47 71.25 7.47 69.24 71.67 8.15 2 0 1000.00 -999 ? >TRP~A 10 70.94 78.44 5.86 74.18 79.74 7.69 72.56 79.09 6.78 3 0 1000.00 -999 ? >ASP~A 11 66.34 75.91 5.86 67.11 76.64 4.06 66.73 76.27 4.96 2 0 1000.00 -999 ? >GLU~A 12 65.16 72.32 9.54 65.74 70.27 9.59 65.45 71.29 9.56 2 0 1000.00 -999 ? >ALA~A 13 67.97 76.65 12.60 69.50 76.64 12.66 68.73 76.65 12.63 2 0 1000.00 -999 ? >LEU~A 14 67.32 80.24 9.51 67.18 82.16 8.61 67.25 81.20 9.06 3 0 1000.00 -999 ? >ARG~A 16 65.11 74.76 15.95 64.35 72.01 17.13 64.73 73.39 16.54 2 0 1000.00 -999 ? >LEU~A 17 66.75 82.05 14.67 68.76 82.17 15.38 67.76 82.11 15.02 3 0 1000.00 -999 ? >GLU~A 18 63.46 83.61 11.38 63.22 83.81 9.33 63.34 83.71 10.36 2 0 1000.00 -999 ? >ALA~A 19 60.03 81.59 15.98 59.72 80.05 15.92 59.87 80.82 15.95 2 0 1000.00 -999 ? >SER~A 20 61.92 82.04 19.26 64.34 81.66 18.81 63.13 81.85 19.04 2 0 1000.00 -999 ? >ARG~A 21 63.65 88.53 18.66 66.65 89.07 18.69 65.15 88.80 18.68 2 0 1000.00 -999 ? >LYS~A 22 58.56 86.23 18.03 57.27 84.20 12.22 57.92 85.21 15.13 2 0 1000.00 -999 ? >ALA~A 23 58.09 84.38 21.37 58.50 82.91 21.60 58.30 83.65 21.49 2 0 1000.00 -999 ? >LEU~A 24 62.26 86.58 22.77 63.76 87.46 24.12 63.01 87.02 23.45 3 0 1000.00 -999 ? >LEU~A 25 59.42 90.38 20.39 61.10 91.25 19.35 60.26 90.81 19.87 3 0 1000.00 -999 ? >ALA~A 26 55.86 89.02 22.85 55.02 87.89 22.24 55.44 88.46 22.55 2 0 1000.00 -999 ? >LEU~A 27 57.99 86.79 26.62 59.17 86.40 28.44 58.58 86.60 27.53 3 0 1000.00 -999 ? >LEU~A 28 60.11 91.68 26.13 62.19 91.07 26.44 61.15 91.37 26.29 3 0 1000.00 -999 ? >ARG~A 29 56.24 93.96 21.71 57.74 93.86 19.01 56.99 93.91 20.36 2 0 1000.00 -999 ? >GLU~A 30 52.19 90.49 25.65 51.65 88.63 24.74 51.92 89.56 25.19 2 0 1000.00 -999 ? >ALA~A 31 55.35 91.39 30.85 56.86 91.13 30.95 56.11 91.26 30.90 2 0 1000.00 -999 ? >ASP~A 32 54.12 92.80 35.25 54.19 94.14 36.88 54.16 93.47 36.06 2 0 1000.00 -999 ? >PRO~A 33 55.24 97.71 33.37 56.50 95.94 33.98 55.87 96.83 33.67 3 0 1000.00 -999 ? >TRP~A 35 58.81 88.49 36.72 59.92 87.99 32.99 59.37 88.24 34.85 3 0 1000.00 -999 ? >LEU~A 36 60.71 94.16 32.70 59.88 93.68 30.75 60.29 93.92 31.73 3 0 1000.00 -999 ? >SER~A 37 63.46 94.98 36.14 63.12 97.18 35.21 63.29 96.08 35.67 2 0 1000.00 -999 ? >ALA.A 38 63.36 92.40 38.98 62.04 91.87 39.59 62.70 92.14 39.29 2 0 1000.00 -999 ? >PRO.A 39 66.82 91.24 41.41 65.70 90.40 39.65 66.26 90.82 40.53 3 0 1000.00 -999 ? >LEU.A 40 65.60 85.50 37.28 65.24 85.81 35.15 65.42 85.66 36.22 3 0 1000.00 -999 ? >GLY.A 43 71.75 87.72 43.12 71.07 87.54 42.69 71.41 87.63 42.91 1 0 1000.00 -999 ? >ALA.A 44 70.41 87.04 39.62 69.31 85.97 39.31 69.86 86.51 39.46 2 0 1000.00 -999 ? >TRP.A 45 70.00 86.73 34.90 71.88 86.54 31.42 70.94 86.64 33.16 3 0 1000.00 -999 ? >THR~A 46 66.86 90.66 35.32 67.07 92.77 35.51 66.97 91.72 35.41 2 0 1000.00 -999 ? >PRO~A 47 62.92 89.42 33.71 64.97 89.85 32.91 63.95 89.64 33.31 3 0 1000.00 -999 ? >LEU~A 48 65.65 94.31 30.95 63.85 95.45 30.46 64.75 94.88 30.71 3 0 1000.00 -999 ? >MET~A 49 69.61 91.89 31.08 70.90 92.86 34.98 70.26 92.38 33.03 2 0 1000.00 -999 ? >VAL~A 50 68.82 88.44 29.72 67.76 86.63 30.38 68.29 87.54 30.05 3 0 1000.00 -999 ? >ALA~A 51 67.36 90.07 26.56 66.09 90.93 26.51 66.73 90.50 26.53 2 0 1000.00 -999 ? >GLU~A 52 72.24 93.95 26.92 73.14 95.02 28.51 72.69 94.48 27.72 2 0 1000.00 -999 ? >HIS~A 53 73.48 87.11 27.42 74.88 85.57 27.15 74.18 86.34 27.29 3 0 1000.00 -999 ? >VAL~A 54 70.68 87.57 23.67 68.73 86.56 23.43 69.71 87.06 23.55 3 0 1000.00 -999 ? >ALA~A 55 71.14 90.67 21.45 70.58 92.08 21.77 70.86 91.38 21.61 2 0 1000.00 -999 ? >LEU~A 56 75.63 91.23 23.50 75.66 93.28 24.34 75.64 92.26 23.92 3 0 1000.00 -999 ? >VAL~A 57 75.47 87.25 21.34 75.49 85.38 22.52 75.48 86.31 21.93 3 0 1000.00 -999 ? >GLU~A 58 71.16 87.11 18.38 69.36 86.86 17.32 70.26 86.99 17.85 2 0 1000.00 -999 ? >ASP~A 59 75.84 91.97 18.00 77.18 93.33 17.12 76.51 92.65 17.56 2 0 1000.00 -999 ? >SER~A 60 78.87 88.74 18.04 80.29 87.57 19.57 79.58 88.16 18.81 2 0 1000.00 -999 ? >THR~A 61 77.64 85.72 15.96 76.19 84.15 16.28 76.92 84.94 16.12 2 0 1000.00 -999 ? >ALA~A 62 77.00 88.00 12.99 76.08 89.17 13.00 76.54 88.58 13.00 2 0 1000.00 -999 ? >ARG~A 63 81.10 92.24 15.72 79.75 94.92 15.16 80.42 93.58 15.44 2 0 1000.00 -999 ? >VAL~A 64 81.94 85.69 13.34 82.14 84.08 14.84 82.04 84.89 14.09 3 0 1000.00 -999 ? >LEU~A 65 78.39 84.91 10.08 77.04 83.23 10.63 77.71 84.07 10.36 3 0 1000.00 -999 ? >ARG~A 66 81.50 91.89 8.48 81.81 93.73 10.95 81.66 92.81 9.71 2 0 1000.00 -999 ? >ARG~A 67 87.53 86.37 12.23 90.43 85.39 11.87 88.98 85.88 12.05 2 0 1000.00 -999 ? >LEU~A 68 83.23 82.28 8.81 83.89 81.00 10.49 83.56 81.64 9.65 3 0 1000.00 -999 ? >ARG~A 69 79.96 86.78 3.28 80.48 89.82 3.72 80.22 88.30 3.50 2 0 1000.00 -999 ? >ARG~A 70 85.44 90.28 6.17 87.31 92.46 5.08 86.37 91.37 5.63 2 0 1000.00 -999 ? >LEU~A 71 88.25 83.08 6.41 89.32 83.46 8.34 88.79 83.27 7.37 3 0 1000.00 -999 ? >SER~A 105 64.72 100.20 29.47 64.91 102.16 27.89 64.82 101.18 28.68 2 0 1000.00 -999 ? >LEU~A 106 60.92 97.76 27.61 59.83 96.13 26.66 60.37 96.94 27.14 3 0 1000.00 -999 ? >VAL~A 109 66.54 96.50 24.86 66.52 95.09 26.57 66.53 95.79 25.72 3 0 1000.00 -999 ? >LEU~A 110 62.55 96.63 22.01 60.74 95.59 22.68 61.65 96.11 22.35 3 0 1000.00 -999 ? >ALA~A 111 66.02 98.38 19.80 66.28 99.88 20.09 66.15 99.13 19.94 2 0 1000.00 -999 ? >LEU~A 112 69.83 96.20 21.98 71.99 96.13 22.48 70.91 96.16 22.23 3 0 1000.00 -999 ? >LEU~A 113 66.17 92.61 20.42 66.06 91.31 22.17 66.12 91.96 21.30 3 0 1000.00 -999 ? >ASP~A 114 65.18 95.64 16.14 63.21 95.18 16.75 64.19 95.41 16.44 2 0 1000.00 -999 ? >ALA~A 116 71.54 92.72 16.11 71.85 92.21 17.53 71.69 92.47 16.82 2 0 1000.00 -999 ? >ARG~A 117 67.19 87.92 13.93 66.02 85.79 15.83 66.60 86.85 14.88 2 0 1000.00 -999 ? >ALA~A 118 68.89 92.56 11.27 68.57 94.07 11.09 68.73 93.32 11.18 2 0 1000.00 -999 ? >PHE~A 119 75.10 92.69 12.11 77.86 92.46 11.67 76.48 92.57 11.89 3 0 1000.00 -999 ? >LEU~A 120 72.06 87.84 13.14 72.54 85.78 13.69 72.30 86.81 13.42 3 0 1000.00 -999 ? >LEU~A 121 68.60 88.41 9.16 66.82 87.38 10.04 67.71 87.90 9.60 3 0 1000.00 -999 ? >GLU~A 123 76.95 89.04 8.69 78.27 89.17 7.01 77.61 89.11 7.85 2 0 1000.00 -999 ? >VAL~A 124 73.03 84.57 7.26 71.53 83.60 8.55 72.28 84.09 7.90 3 0 1000.00 -999 ? >ALA~A 125 71.89 85.66 3.76 71.15 86.92 3.41 71.52 86.29 3.58 2 0 1000.00 -999 ? >LYS~A 126 75.54 86.02 2.71 76.66 92.14 2.98 76.10 89.08 2.85 2 0 1000.00 -999 ? >ALA~A 127 76.83 82.82 4.36 76.49 82.39 5.79 76.66 82.61 5.07 2 0 1000.00 -999 ? >ASP.A 128 79.00 79.33 2.00 79.36 77.34 1.40 79.18 78.33 1.70 2 0 1000.00 -999 ? >PRO.A 129 74.10 77.31 3.93 76.25 77.36 4.57 75.18 77.33 4.25 3 0 1000.00 -999 ? >GLN.A 130 77.24 73.79 1.91 75.62 72.80 2.90 76.43 73.29 2.41 2 0 1000.00 -999 ? >ASN.A 131 81.64 78.15 4.89 83.51 79.21 5.16 82.57 78.68 5.02 2 0 1000.00 -999 ? >PRO.A 132 85.40 74.13 4.07 83.96 74.78 5.72 84.68 74.46 4.90 3 0 1000.00 -999 ? >ALA.A 133 86.18 77.33 7.86 86.39 78.71 7.23 86.29 78.02 7.54 2 0 1000.00 -999 ? >THR.A 134 85.86 77.47 11.66 86.57 75.44 12.17 86.21 76.45 11.91 2 0 1000.00 -999 ? >PHE^A 135 86.02 82.53 14.93 87.10 84.54 16.59 86.56 83.53 15.76 3 0 1000.00 -999 ? >PRO^A 136 88.27 80.39 18.29 86.36 79.43 17.52 87.31 79.91 17.91 3 0 1000.00 -999 ? >HIS^A 137 80.46 78.99 20.61 78.73 79.69 21.59 79.60 79.34 21.10 3 0 1000.00 -999 ? >PRO.A 138 82.22 81.68 23.72 83.44 79.82 23.26 82.83 80.75 23.49 3 0 1000.00 -999 ? >PHE.A 139 79.21 75.94 25.98 78.02 73.80 27.31 78.62 74.87 26.64 3 0 1000.00 -999 ? >PHE.A 140 78.52 75.00 21.38 76.08 75.01 22.78 77.30 75.00 22.08 3 0 1000.00 -999 ? >GLY^A 141 84.65 74.89 20.39 84.02 75.24 20.02 84.34 75.06 20.20 1 0 1000.00 -999 ? >GLU^A 142 88.12 74.92 16.50 88.61 76.96 16.10 88.37 75.94 16.30 2 0 1000.00 -999 ? >LEU^A 143 81.21 76.48 15.52 79.99 75.56 17.08 80.60 76.02 16.30 3 0 1000.00 -999 ? >ASN~A 144 81.80 75.54 9.91 80.29 74.03 10.09 81.05 74.78 10.00 2 0 1000.00 -999 ? >PRO~A 145 80.38 79.45 8.00 79.64 78.53 9.95 80.01 78.99 8.98 3 0 1000.00 -999 ? >LEU~A 146 76.21 74.83 9.62 74.49 73.41 9.57 75.35 74.12 9.60 3 0 1000.00 -999 ? >GLY~A 147 77.56 75.46 13.85 77.32 76.21 13.50 77.44 75.84 13.68 1 0 1000.00 -999 ? >TRP~A 148 80.81 79.74 14.30 81.01 81.85 17.63 80.91 80.79 15.97 3 0 1000.00 -999 ? >LEU~A 149 73.34 79.36 11.97 71.56 80.32 11.15 72.45 79.84 11.56 3 0 1000.00 -999 ? >ARG~A 150 72.81 72.83 13.94 74.43 70.58 12.54 73.62 71.70 13.24 2 0 1000.00 -999 ? >ALA~A 152 72.53 81.14 18.05 72.60 81.96 16.79 72.56 81.55 17.42 2 0 1000.00 -999 ? >ALA~A 153 69.22 79.23 17.71 68.88 78.21 16.65 69.05 78.72 17.18 2 0 1000.00 -999 ? >TYR~A 154 71.14 75.42 22.39 71.31 74.18 24.90 71.23 74.80 23.64 3 0 1000.00 -999 ? >HIS~A 155 72.57 82.30 23.23 73.04 83.86 24.55 72.81 83.08 23.89 3 0 1000.00 -999 ? >GLU~A 156 66.11 83.70 21.25 65.56 84.90 19.64 65.84 84.30 20.44 2 0 1000.00 -999 ? >ALA~A 157 65.82 79.07 22.91 65.81 77.71 22.15 65.81 78.39 22.53 2 0 1000.00 -999 ? >HIS~A 158 69.70 78.38 27.67 70.28 78.25 29.69 69.99 78.31 28.68 3 0 1000.00 -999 ? >HIS~A 159 69.52 83.17 27.41 71.43 82.82 28.19 70.48 82.99 27.80 3 0 1000.00 -999 ? >LEU~A 160 63.09 81.99 24.90 61.08 82.31 24.15 62.08 82.15 24.53 3 0 1000.00 -999 ? >LYS~A 161 62.95 79.05 28.28 62.80 73.99 25.91 62.88 76.52 27.09 2 0 1000.00 -999 ? >ALA~A 162 64.65 80.53 31.39 66.10 80.98 31.46 65.38 80.76 31.43 2 0 1000.00 -999 ? >LEU~A 163 62.51 84.69 30.02 63.79 86.39 29.99 63.15 85.54 30.00 3 0 1000.00 -999 ? >GLN~A 164 58.77 81.31 28.22 58.85 79.97 26.57 58.81 80.64 27.39 2 0 1000.00 -999 ? >ALA~A 165 60.26 79.53 33.73 61.51 78.69 33.86 60.89 79.11 33.79 2 0 1000.00 -999 ? >SER~A 166 60.38 82.82 35.71 62.72 83.36 35.85 61.55 83.09 35.78 2 0 1000.00 -999 ? >THR~B 9 93.44 110.57 36.63 94.11 112.63 36.90 93.77 111.60 36.77 2 0 1000.00 -999 ? >TRP~B 10 86.37 110.86 35.64 85.31 107.05 35.50 85.84 108.96 35.57 3 0 1000.00 -999 ? >ASP~B 11 89.61 115.05 34.68 87.85 115.44 35.83 88.73 115.24 35.26 2 0 1000.00 -999 ? >ALA~B 13 91.64 110.00 30.42 91.28 108.71 31.18 91.46 109.36 30.80 2 0 1000.00 -999 ? >LEU~B 14 87.46 112.43 30.48 85.37 111.92 30.67 86.42 112.18 30.58 3 0 1000.00 -999 ? >ARG~B 16 95.22 110.58 28.30 95.61 107.54 28.42 95.41 109.06 28.36 2 0 1000.00 -999 ? >LEU~B 17 88.36 109.59 25.45 88.22 107.49 26.01 88.29 108.54 25.73 3 0 1000.00 -999 ? >GLU~B 18 86.26 114.61 24.91 85.84 115.98 26.48 86.05 115.29 25.70 2 0 1000.00 -999 ? >ALA~B 19 91.30 114.47 21.65 92.61 114.95 22.37 91.95 114.71 22.01 2 0 1000.00 -999 ? >SER~B 20 91.86 111.04 20.02 91.33 109.21 21.62 91.60 110.12 20.82 2 0 1000.00 -999 ? >ARG~B 21 85.66 109.71 17.93 84.44 107.23 19.27 85.05 108.47 18.60 2 0 1000.00 -999 ? >LYS~B 22 88.58 114.45 17.31 89.86 119.70 19.66 89.22 117.08 18.48 2 0 1000.00 -999 ? >ALA~B 23 91.74 113.27 15.45 93.04 112.94 16.15 92.39 113.10 15.80 2 0 1000.00 -999 ? >LEU~B 24 89.49 108.90 15.35 89.04 106.80 14.78 89.27 107.85 15.07 3 0 1000.00 -999 ? >LEU~B 25 85.93 112.43 13.73 84.32 111.42 14.83 85.12 111.92 14.28 3 0 1000.00 -999 ? >ALA~B 26 89.24 114.18 11.02 90.32 115.03 11.67 89.78 114.60 11.35 2 0 1000.00 -999 ? >LEU~B 27 92.03 110.25 10.38 92.92 108.38 9.71 92.47 109.32 10.04 3 0 1000.00 -999 ? >LEU~B 28 86.98 108.71 9.47 87.18 106.80 10.53 87.08 107.75 10.00 3 0 1000.00 -999 ? >ARG~B 29 84.05 114.22 9.11 83.15 114.47 12.05 83.60 114.35 10.58 2 0 1000.00 -999 ? >ALA.B 31 90.63 109.62 3.94 90.44 108.42 4.86 90.54 109.02 4.40 2 0 1000.00 -999 ? >PRO.B 33 85.86 108.16 -0.75 87.27 106.72 0.02 86.56 107.44 -0.36 3 0 1000.00 -999 ? >TRP.B 35 94.86 103.82 3.03 93.30 105.20 6.27 94.08 104.51 4.65 3 0 1000.00 -999 ? >LEU.B 36 87.79 104.06 3.92 87.70 105.93 5.02 87.74 104.99 4.47 3 0 1000.00 -999 ? >SER.B 37 87.81 99.84 2.35 85.53 100.52 1.90 86.67 100.18 2.12 2 0 1000.00 -999 ? >PRO.B 39 93.18 94.68 2.19 93.19 96.63 3.31 93.19 95.65 2.75 3 0 1000.00 -999 ? >ALA.B 44 95.07 92.60 7.68 96.14 93.68 7.64 95.60 93.14 7.66 2 0 1000.00 -999 ? >TRP.B 45 92.95 95.51 10.66 90.91 95.54 14.02 91.93 95.53 12.34 3 0 1000.00 -999 ? >THR~B 46 90.51 97.71 6.65 88.64 97.28 5.57 89.57 97.50 6.11 2 0 1000.00 -999 ? >PRO~B 47 91.75 101.91 6.33 90.66 100.64 7.83 91.20 101.27 7.08 3 0 1000.00 -999 ? >LEU~B 48 85.75 100.98 7.34 84.93 102.73 6.21 85.34 101.85 6.78 3 0 1000.00 -999 ? >MET~B 49 87.01 97.74 10.39 86.93 94.31 7.91 86.97 96.02 9.15 2 0 1000.00 -999 ? >VAL~B 50 89.62 99.35 12.63 91.73 99.93 12.57 90.68 99.64 12.60 3 0 1000.00 -999 ? >ALA~B 51 87.20 102.20 13.46 86.74 103.32 12.50 86.97 102.76 12.98 2 0 1000.00 -999 ? >GLU~B 52 82.67 97.85 13.49 82.36 96.11 12.33 82.51 96.98 12.91 2 0 1000.00 -999 ? >HIS~B 53 88.69 96.69 17.33 89.54 95.70 18.98 89.12 96.20 18.16 3 0 1000.00 -999 ? >VAL~B 54 87.17 101.14 18.35 88.45 102.96 18.11 87.81 102.05 18.23 3 0 1000.00 -999 ? >ALA~B 55 83.38 101.66 18.64 82.42 101.85 17.47 82.90 101.76 18.06 2 0 1000.00 -999 ? >LEU~B 56 83.32 96.82 18.93 82.10 95.65 17.62 82.71 96.24 18.27 3 0 1000.00 -999 ? >VAL~B 57 85.46 98.36 22.54 87.60 97.86 22.80 86.53 98.11 22.67 3 0 1000.00 -999 ? >GLU~B 58 85.09 103.56 22.83 85.10 105.64 22.59 85.09 104.60 22.71 2 0 1000.00 -999 ? >ASP~B 59 79.77 99.35 22.70 77.86 98.63 23.17 78.81 98.99 22.94 2 0 1000.00 -999 ? >THR~B 61 83.69 99.48 28.20 85.54 100.66 28.11 84.62 100.07 28.16 2 0 1000.00 -999 ? >ALA~B 62 80.39 101.28 28.89 79.52 101.99 27.89 79.96 101.63 28.39 2 0 1000.00 -999 ? >ARG~B 63 77.17 96.05 26.49 74.76 97.27 24.89 75.96 96.66 25.69 2 0 1000.00 -999 ? >VAL~B 64 81.55 97.07 32.13 83.49 96.10 32.04 82.52 96.59 32.09 3 0 1000.00 -999 ? >LEU~B 65 81.36 101.89 33.17 83.30 102.98 33.04 82.33 102.44 33.10 3 0 1000.00 -999 ? >ARG~B 66 74.21 99.35 31.97 74.05 97.36 29.59 74.13 98.35 30.78 2 0 1000.00 -999 ? >ARG~B 67 80.06 93.13 35.54 78.89 90.48 36.18 79.47 91.80 35.86 2 0 1000.00 -999 ? >LEU~B 68 81.94 98.64 37.81 83.74 97.31 37.53 82.84 97.98 37.67 3 0 1000.00 -999 ? >ARG~B 69 76.08 103.71 37.30 73.67 102.56 35.72 74.87 103.13 36.51 2 0 1000.00 -999 ? >LEU~B 71 78.88 95.71 41.46 79.18 93.56 41.15 79.03 94.64 41.30 3 0 1000.00 -999 ? >ALA~B 72 78.65 99.48 43.81 79.22 100.74 43.18 78.94 100.11 43.50 2 0 1000.00 -999 ? >LEU.B 104 81.73 98.21 6.52 81.43 98.12 8.72 81.58 98.17 7.62 3 0 1000.00 -999 ? >SER~B 105 80.16 102.43 4.79 77.95 103.12 5.47 79.05 102.77 5.13 2 0 1000.00 -999 ? >LEU~B 106 82.39 106.65 5.55 83.76 108.16 6.41 83.07 107.40 5.98 3 0 1000.00 -999 ? >VAL~B 109 80.95 103.45 11.12 82.93 102.62 10.64 81.94 103.03 10.88 3 0 1000.00 -999 ? >LEU~B 110 80.31 108.36 11.06 81.97 109.50 10.24 81.14 108.93 10.65 3 0 1000.00 -999 ? >ALA~B 111 77.02 106.40 13.45 75.77 105.93 12.67 76.40 106.17 13.06 2 0 1000.00 -999 ? >LEU~B 112 79.27 102.29 14.77 78.53 100.36 14.31 78.90 101.33 14.54 3 0 1000.00 -999 ? >LEU~B 113 82.39 106.31 15.91 84.39 105.60 15.27 83.39 105.96 15.59 3 0 1000.00 -999 ? >ASP~B 114 78.00 109.04 16.88 77.15 110.81 17.72 77.58 109.93 17.30 2 0 1000.00 -999 ? >ALA~B 116 79.27 103.94 21.45 80.36 103.02 20.83 79.81 103.48 21.14 2 0 1000.00 -999 ? >ARG~B 117 83.10 109.19 23.53 86.02 109.32 22.42 84.56 109.25 22.98 2 0 1000.00 -999 ? >ALA~B 118 77.52 108.56 23.75 76.24 108.77 22.89 76.88 108.67 23.32 2 0 1000.00 -999 ? >PHE~B 119 76.56 102.79 26.04 75.79 100.65 27.72 76.18 101.72 26.88 3 0 1000.00 -999 ? >LEU~B 120 81.88 105.41 26.47 83.90 104.96 27.37 82.89 105.18 26.92 3 0 1000.00 -999 ? >LEU~B 121 79.90 110.34 27.29 81.66 111.43 26.54 80.78 110.89 26.92 3 0 1000.00 -999 ? >GLU~B 122 74.40 107.36 30.03 72.85 106.29 29.07 73.62 106.82 29.55 2 0 1000.00 -999 ? >GLU~B 123 77.49 103.39 31.26 76.34 103.06 33.01 76.92 103.22 32.14 2 0 1000.00 -999 ? >VAL~B 124 81.30 108.02 32.74 83.14 108.82 31.76 82.22 108.42 32.25 3 0 1000.00 -999 ? >ALA~B 125 78.75 110.63 34.02 77.72 111.40 33.19 78.24 111.01 33.60 2 0 1000.00 -999 ? >LYS~B 126 77.05 107.92 36.09 72.05 105.54 33.16 74.55 106.73 34.63 2 0 1000.00 -999 ? >ALA~B 127 80.34 106.57 37.48 81.54 106.25 36.60 80.94 106.41 37.04 2 0 1000.00 -999 ? >ASP.B 128 81.85 106.25 42.08 83.14 106.85 43.66 82.50 106.55 42.87 2 0 1000.00 -999 ? >PRO.B 129 85.16 109.79 39.28 85.15 107.61 39.87 85.16 108.70 39.58 3 0 1000.00 -999 ? >ASN.B 131 83.77 102.71 41.74 82.67 100.86 41.82 83.22 101.78 41.78 2 0 1000.00 -999 ? >PRO.B 132 86.15 100.31 46.08 86.70 100.69 43.92 86.42 100.50 45.00 3 0 1000.00 -999 ? >ALA.B 133 85.26 97.26 42.48 83.76 97.19 42.37 84.51 97.23 42.42 2 0 1000.00 -999 ? >THR.B 134 87.02 95.51 39.57 88.74 94.77 40.68 87.88 95.14 40.13 2 0 1000.00 -999 ? >PHE^B 135 84.28 92.89 34.87 83.16 90.73 33.48 83.72 91.81 34.18 3 0 1000.00 -999 ? >PRO^B 136 87.62 89.55 35.30 88.15 91.69 34.85 87.88 90.62 35.07 3 0 1000.00 -999 ? >HIS^B 137 90.97 95.00 29.85 91.19 95.87 27.96 91.08 95.44 28.90 3 0 1000.00 -999 ? >PRO.B 138 89.44 91.67 27.14 90.67 91.08 28.95 90.06 91.37 28.04 3 0 1000.00 -999 ? >PHE.B 139 95.92 93.26 26.91 98.55 93.71 26.06 97.24 93.48 26.48 3 0 1000.00 -999 ? >PHE.B 140 95.35 96.76 30.39 96.26 98.15 28.17 95.81 97.46 29.28 3 0 1000.00 -999 ? >GLY^B 141 93.92 92.03 34.28 93.55 92.69 34.02 93.74 92.36 34.15 1 0 1000.00 -999 ? >GLU^B 142 91.23 91.27 38.69 89.15 90.85 38.62 90.19 91.06 38.65 2 0 1000.00 -999 ? >LEU^B 143 90.59 97.38 35.07 92.36 97.67 33.76 91.47 97.52 34.42 3 0 1000.00 -999 ? >ASN~B 144 88.72 99.97 39.72 90.29 101.47 39.57 89.51 100.72 39.65 2 0 1000.00 -999 ? >PRO~B 145 84.56 101.65 38.11 86.47 101.43 36.99 85.51 101.54 37.55 3 0 1000.00 -999 ? >LEU~B 146 90.09 104.83 37.40 91.60 106.48 37.26 90.85 105.66 37.33 3 0 1000.00 -999 ? >GLY~B 147 91.35 101.40 34.87 90.61 101.71 34.60 90.98 101.56 34.74 1 0 1000.00 -999 ? >TRP~B 148 87.35 97.93 34.02 86.98 95.76 30.75 87.16 96.85 32.38 3 0 1000.00 -999 ? >LEU~B 149 87.92 105.46 32.02 86.91 107.22 31.24 87.41 106.34 31.63 3 0 1000.00 -999 ? >ARG~B 150 94.26 105.56 33.93 97.13 104.94 33.01 95.69 105.25 33.47 2 0 1000.00 -999 ? >ALA~B 151 92.25 101.26 28.83 91.71 99.86 29.26 91.98 100.56 29.04 2 0 1000.00 -999 ? >ALA~B 152 89.69 102.89 26.46 88.29 103.40 26.87 88.99 103.15 26.66 2 0 1000.00 -999 ? >ALA~B 153 91.86 106.02 26.09 92.29 106.89 27.25 92.07 106.45 26.67 2 0 1000.00 -999 ? >TYR~B 154 96.81 102.12 25.60 99.03 100.83 24.39 97.92 101.48 25.00 3 0 1000.00 -999 ? >HIS~B 155 91.20 100.00 22.11 90.51 98.78 20.55 90.85 99.39 21.33 3 0 1000.00 -999 ? >GLU~B 156 90.29 106.53 19.82 88.59 107.73 20.03 89.44 107.13 19.92 2 0 1000.00 -999 ? >ALA~B 157 95.06 106.27 20.73 95.77 106.72 21.99 95.42 106.50 21.36 2 0 1000.00 -999 ? >HIS~B 158 97.11 100.47 19.60 97.98 98.87 18.55 97.54 99.67 19.08 3 0 1000.00 -999 ? >HIS~B 159 92.98 100.51 17.12 93.14 98.48 17.63 93.06 99.50 17.37 3 0 1000.00 -999 ? >LEU~B 160 94.25 107.34 16.78 94.00 109.41 16.16 94.12 108.38 16.47 3 0 1000.00 -999 ? >LYS~B 161 98.22 106.16 15.41 102.07 108.26 19.91 100.15 107.21 17.66 2 0 1000.00 -999 ? >ALA~B 162 98.10 102.92 13.32 97.40 101.60 13.75 97.75 102.26 13.54 2 0 1000.00 -999 ? >LEU~B 163 94.17 105.00 11.22 92.46 103.59 11.13 93.31 104.29 11.18 3 0 1000.00 -999 ? >GLN~B 164 96.71 109.52 12.58 97.14 110.70 14.30 96.92 110.11 13.44 2 0 1000.00 -999 ? >ALA~B 165 100.75 105.89 9.91 101.41 104.86 10.83 101.08 105.38 10.37 2 0 1000.00 -999 ? >LEU~B 167 96.80 108.18 6.48 95.19 109.50 5.65 95.99 108.84 6.07 3 0 1000.00 -999 ?