REMARK SOURCE hebe.pdb HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 05-NOV-04 1WSC COMPND HYPOTHETICAL PROTEIN ST0229; COMPND 3 CHAIN: A, B; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: SULFOLOBUS TOKODAII; SOURCE 3 ORGANISM_TAXID: 111955; SOURCE 4 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 5 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 6 EXPRESSION_SYSTEM_STRAIN: B834(DE3); SOURCE 7 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 8 EXPRESSION_SYSTEM_PLASMID: PET20B AUTHOR T.MURAYAMA,Y.TANAKA,T.SASAKI,Y.YASUTAKE,M.YAO,K.TSUMOTO, AUTHOR 2 I.TANAKA,I.KUMAGAI HET MSE A 163 8 HET MSE B 163 8 SSBOND 1 CYS A 74 CYS B 74 1555 1555 2.04 SSBOND 2 CYS A 166 CYS A 222 1555 1555 2.03 SSBOND 3 CYS A 177 CYS A 186 1555 1555 2.04 SSBOND 4 CYS B 177 CYS B 186 1555 1555 2.02 >GLN.A 3 30.09 65.32 83.27 28.59 63.81 83.21 29.34 64.57 83.24 2 0 1000.00 -999 ? >GLU.A 4 36.47 62.53 80.22 37.49 64.31 79.70 36.98 63.42 79.96 2 0 1000.00 -999 ? >GLN.A 5 34.55 62.72 75.35 36.30 61.58 74.84 35.42 62.15 75.09 2 0 1000.00 -999 ? >LEU.A 6 29.40 61.07 80.08 30.71 59.74 81.16 30.05 60.41 80.62 3 0 1000.00 -999 ? >VAL.A 7 25.84 61.74 77.16 24.27 60.56 76.19 25.06 61.15 76.68 3 0 1000.00 -999 ? >ALA~A 8 23.17 63.38 79.32 23.35 64.83 79.72 23.26 64.10 79.52 2 0 1000.00 -999 ? >VAL~A 9 19.50 62.41 78.82 18.04 61.11 79.79 18.77 61.76 79.31 3 0 1000.00 -999 ? >ASN~A 10 18.67 67.19 79.32 20.69 67.82 79.58 19.68 67.50 79.45 2 0 1000.00 -999 ? >GLU~A 11 22.98 66.38 76.09 24.99 65.79 76.01 23.98 66.09 76.05 2 0 1000.00 -999 ? >LEU~A 12 18.39 61.82 74.19 20.05 60.46 74.00 19.22 61.14 74.09 3 0 1000.00 -999 ? >ASN~A 13 15.64 66.28 71.24 16.91 66.23 69.53 16.27 66.26 70.38 2 0 1000.00 -999 ? >GLU~A 14 10.73 63.45 68.20 8.86 64.33 67.80 9.79 63.89 68.00 2 0 1000.00 -999 ? >ASN~A 15 15.66 65.29 66.00 16.16 65.04 63.93 15.91 65.16 64.96 2 0 1000.00 -999 ? >LEU~A 16 18.84 62.62 69.48 20.48 63.58 68.43 19.66 63.10 68.96 3 0 1000.00 -999 ? >GLY~A 17 15.66 59.43 69.21 15.81 59.81 68.43 15.74 59.62 68.82 1 0 1000.00 -999 ? >LYS~A 18 14.70 59.53 65.54 11.56 59.12 62.04 13.13 59.32 63.79 2 0 1000.00 -999 ? >VAL~A 19 18.32 58.97 64.58 19.90 60.38 64.14 19.11 59.68 64.36 3 0 1000.00 -999 ? >LEU~A 20 18.87 56.39 68.67 20.37 57.27 69.93 19.62 56.83 69.30 3 0 1000.00 -999 ? >ILE~A 21 14.51 54.99 65.97 13.11 54.79 66.40 13.81 54.89 66.19 3 0 1000.00 -999 ? >LYS~A 22 17.14 54.78 62.26 17.67 55.89 57.08 17.40 55.33 59.67 2 0 1000.00 -999 ? >ILE~A 23 21.51 54.20 64.38 22.73 54.81 64.83 22.12 54.50 64.61 3 0 1000.00 -999 ? >ALA~A 24 19.05 50.51 64.90 18.08 50.53 66.08 18.56 50.52 65.49 2 0 1000.00 -999 ? >ARG~A 25 13.39 50.51 61.28 10.81 48.88 61.62 12.10 49.69 61.45 2 0 1000.00 -999 ? >ASP~A 26 20.40 51.58 58.93 19.12 53.15 58.32 19.76 52.36 58.62 2 0 1000.00 -999 ? >SER~A 27 22.05 48.21 61.33 22.99 49.66 63.02 22.52 48.93 62.18 2 0 1000.00 -999 ? >ILE~A 28 18.15 45.32 62.10 17.23 44.73 63.08 17.69 45.03 62.59 3 0 1000.00 -999 ? >ALA~A 29 18.63 46.00 57.69 18.11 47.34 57.16 18.37 46.67 57.43 2 0 1000.00 -999 ? >ASN~A 30 23.39 46.85 57.45 25.33 46.32 56.77 24.36 46.59 57.11 2 0 1000.00 -999 ? >LYS~A 31 22.83 42.55 58.57 27.45 43.39 59.62 25.14 42.97 59.10 2 0 1000.00 -999 ? >LEU~A 32 18.22 41.68 57.27 16.71 41.00 58.64 17.46 41.34 57.95 3 0 1000.00 -999 ? >GLY.A 33 21.10 41.93 53.76 20.47 42.40 54.05 20.79 42.17 53.90 1 0 1000.00 -999 ? >ILE.A 34 17.26 44.88 53.92 15.80 44.94 54.16 16.53 44.91 54.04 3 0 1000.00 -999 ? >LEU.A 35 20.39 48.62 54.53 20.55 50.76 54.44 20.47 49.69 54.48 3 0 1000.00 -999 ? >LYS.A 36 23.55 47.91 51.15 22.55 43.05 49.39 23.05 45.48 50.27 2 0 1000.00 -999 ? >ILE.A 37 25.53 50.80 54.08 24.45 51.24 54.91 24.99 51.02 54.50 3 0 1000.00 -999 ? >ASN~A 38 30.74 50.19 54.48 32.44 49.63 55.66 31.59 49.91 55.07 2 0 1000.00 -999 ? >LEU~A 39 27.54 48.69 59.34 26.16 48.98 60.97 26.85 48.84 60.15 3 0 1000.00 -999 ? >GLU~A 40 33.69 50.67 60.84 35.43 49.46 60.83 34.56 50.07 60.84 2 0 1000.00 -999 ? >ASP~A 41 32.26 53.64 56.06 34.20 52.85 55.79 33.23 53.24 55.92 2 0 1000.00 -999 ? >TYR~A 42 25.71 54.13 58.05 23.29 55.31 58.81 24.50 54.72 58.43 3 0 1000.00 -999 ? >LEU~A 43 28.76 53.87 62.56 27.30 52.46 63.32 28.03 53.16 62.94 3 0 1000.00 -999 ? >SER~A 44 31.55 57.18 61.33 33.04 55.80 59.98 32.29 56.49 60.65 2 0 1000.00 -999 ? >SER~A 45 29.75 59.43 58.80 27.83 58.43 57.68 28.79 58.93 58.24 2 0 1000.00 -999 ? >LEU~A 46 26.25 59.55 62.22 25.21 58.25 60.84 25.73 58.90 61.53 3 0 1000.00 -999 ? >ASN.A 47 29.96 64.27 61.73 28.74 65.46 60.46 29.35 64.86 61.09 2 0 1000.00 -999 ? >ASP~A 48 25.20 64.51 65.32 24.16 65.81 66.61 24.68 65.16 65.96 2 0 1000.00 -999 ? >PRO~A 49 29.42 67.17 67.63 28.48 65.15 67.84 28.95 66.16 67.73 3 0 1000.00 -999 ? >ILE~A 50 24.41 64.40 70.41 24.16 65.05 71.71 24.28 64.73 71.06 3 0 1000.00 -999 ? >LEU~A 51 25.67 60.32 67.29 23.84 60.27 66.19 24.75 60.29 66.74 3 0 1000.00 -999 ? >ASN~A 52 30.52 60.55 69.07 32.06 59.11 68.89 31.29 59.83 68.98 2 0 1000.00 -999 ? >LYS.A 53 28.91 60.80 73.51 28.66 66.13 75.13 28.78 63.47 74.32 2 0 1000.00 -999 ? >LYS^A 54 28.87 57.69 75.68 35.02 56.38 75.47 31.95 57.04 75.57 2 0 1000.00 -999 ? >GLY^A 55 26.12 55.89 77.51 26.52 55.34 77.00 26.32 55.61 77.26 1 0 1000.00 -999 ? >LEU^A 56 24.19 52.02 79.38 25.85 51.73 80.74 25.02 51.87 80.06 3 0 1000.00 -999 ? >ALA^A 57 21.77 51.20 75.61 22.04 51.75 74.22 21.90 51.48 74.92 2 0 1000.00 -999 ? >PHE^A 58 18.90 47.85 77.52 20.07 47.24 79.98 19.48 47.55 78.75 3 0 1000.00 -999 ? >VAL^A 59 17.14 47.67 72.06 17.81 48.23 70.10 17.47 47.95 71.08 3 0 1000.00 -999 ? >THR^A 60 13.94 45.68 72.07 12.44 46.18 73.57 13.19 45.93 72.82 2 0 1000.00 -999 ? >LEU^A 61 12.74 43.95 67.85 14.61 44.47 66.86 13.67 44.21 67.36 3 0 1000.00 -999 ? >GLU^A 62 7.71 45.13 71.70 6.96 46.78 72.85 7.34 45.95 72.27 2 0 1000.00 -999 ? >THR^A 63 6.01 42.75 66.58 5.85 40.74 65.79 5.93 41.74 66.18 2 0 1000.00 -999 ? >TYR^A 64 2.52 47.55 64.58 0.54 49.54 64.42 1.53 48.54 64.50 3 0 1000.00 -999 ? >TYR.A 65 0.10 42.36 66.92 1.62 40.04 66.53 0.86 41.20 66.72 3 0 1000.00 -999 ? >GLY.A 66 -3.51 46.81 65.91 -3.04 46.67 66.52 -3.28 46.74 66.21 1 0 1000.00 -999 ? >ASN.A 67 -5.24 47.62 70.12 -6.44 48.91 68.90 -5.84 48.26 69.51 2 0 1000.00 -999 ? >SER.A 68 -0.98 45.47 71.09 -2.02 43.34 70.49 -1.50 44.41 70.79 2 0 1000.00 -999 ? >THR^A 69 2.56 44.30 70.46 3.49 46.16 71.04 3.03 45.23 70.75 2 0 1000.00 -999 ? >SER^A 70 4.61 41.17 71.00 4.42 38.75 70.80 4.52 39.96 70.90 2 0 1000.00 -999 ? >LEU^A 71 8.63 40.40 73.62 10.70 40.03 74.16 9.67 40.21 73.89 3 0 1000.00 -999 ? >ARG^A 72 10.18 38.39 66.78 12.68 37.03 65.60 11.43 37.71 66.19 2 0 1000.00 -999 ? >GLY^A 73 13.93 40.24 70.80 13.46 40.88 71.10 13.70 40.56 70.95 1 0 1000.00 -999 ? >CSS^A 74 15.82 42.18 73.42 15.44 43.64 75.78 15.63 42.91 74.60 2 0 1000.00 -999 ? >ILE^A 75 20.40 42.49 72.93 20.60 41.68 72.65 20.50 42.08 72.79 3 0 1000.00 -999 ? >GLY^A 76 21.23 45.62 76.08 21.66 44.90 76.16 21.44 45.26 76.12 1 0 1000.00 -999 ? >TYR^A 77 25.67 45.78 75.11 25.51 44.15 72.83 25.59 44.97 73.97 3 0 1000.00 -999 ? >VAL^A 78 25.17 47.92 80.83 23.38 47.12 81.78 24.27 47.52 81.30 3 0 1000.00 -999 ? >GLU^A 79 30.49 45.01 81.90 31.50 43.38 81.01 30.99 44.20 81.46 2 0 1000.00 -999 ? >ALA^A 80 30.54 49.74 80.00 31.91 49.25 79.51 31.23 49.50 79.76 2 0 1000.00 -999 ? >VAL^A 81 29.56 52.95 78.25 29.74 54.60 79.68 29.65 53.77 78.97 3 0 1000.00 -999 ? >ALA^A 82 30.36 53.47 74.59 30.39 52.11 73.89 30.38 52.79 74.24 2 0 1000.00 -999 ? >PRO^A 83 31.71 55.86 71.24 29.79 55.53 72.32 30.75 55.70 71.78 3 0 1000.00 -999 ? >LEU~A 84 24.77 57.33 71.53 24.03 58.28 73.32 24.40 57.81 72.43 3 0 1000.00 -999 ? >LYS~A 85 25.58 55.35 67.77 30.09 58.54 64.61 27.84 56.95 66.19 2 0 1000.00 -999 ? >GLU~A 86 30.25 53.03 67.63 32.12 53.74 68.35 31.19 53.39 67.99 2 0 1000.00 -999 ? >ILE~A 87 26.26 51.30 72.81 25.73 51.41 74.12 25.99 51.35 73.46 3 0 1000.00 -999 ? >VAL~A 88 22.82 51.29 69.76 21.33 52.88 69.67 22.08 52.08 69.71 3 0 1000.00 -999 ? >SER~A 89 23.89 49.83 66.39 25.36 49.37 64.53 24.62 49.60 65.46 2 0 1000.00 -999 ? >LYS~A 90 25.36 46.86 68.26 30.62 46.47 70.82 27.99 46.67 69.54 2 0 1000.00 -999 ? >ALA~A 91 22.30 46.36 70.49 21.79 47.37 71.49 22.05 46.86 70.99 2 0 1000.00 -999 ? >ALA~A 92 19.89 46.55 67.56 19.84 47.68 66.53 19.86 47.11 67.05 2 0 1000.00 -999 ? >ILE~A 93 23.26 43.92 65.33 24.30 43.88 64.36 23.78 43.90 64.85 3 0 1000.00 -999 ? >ALA~A 94 21.85 41.66 68.91 22.64 41.99 70.18 22.25 41.83 69.55 2 0 1000.00 -999 ? >ALA~A 95 18.16 42.24 69.61 17.46 43.58 69.70 17.81 42.91 69.66 2 0 1000.00 -999 ? >ALA~A 96 17.44 40.86 66.14 17.68 41.68 64.86 17.56 41.27 65.50 2 0 1000.00 -999 ? >PHE~A 97 20.69 38.77 63.85 20.05 40.14 61.48 20.37 39.46 62.66 3 0 1000.00 -999 ? >SER~A 98 21.23 37.13 69.61 23.31 38.33 69.25 22.27 37.73 69.43 2 0 1000.00 -999 ? >ASP.A 99 16.86 37.54 71.75 15.67 37.34 73.49 16.26 37.44 72.62 2 0 1000.00 -999 ? >PRO.A 100 19.81 34.03 74.70 18.44 33.85 72.95 19.13 33.94 73.82 3 0 1000.00 -999 ? >ARG.A 101 13.76 34.93 76.19 13.58 37.98 76.38 13.67 36.46 76.28 2 0 1000.00 -999 ? >PHE.A 102 12.46 35.69 70.14 11.01 37.04 72.12 11.73 36.37 71.13 3 0 1000.00 -999 ? >PRO.A 103 12.78 31.67 65.67 14.54 32.77 66.47 13.66 32.22 66.07 3 0 1000.00 -999 ? >PRO.A 104 18.02 33.66 62.89 16.84 34.65 64.49 17.43 34.15 63.69 3 0 1000.00 -999 ? >LEU.A 105 15.24 39.56 62.78 13.72 41.09 62.93 14.48 40.33 62.86 3 0 1000.00 -999 ? >SER~A 106 14.02 37.18 59.11 11.66 36.60 59.11 12.84 36.89 59.11 2 0 1000.00 -999 ? >LYS~A 107 13.80 39.61 56.19 17.80 38.51 51.38 15.80 39.06 53.79 2 0 1000.00 -999 ? >GLY~A 108 10.08 38.93 56.13 10.50 39.23 56.73 10.29 39.08 56.43 1 0 1000.00 -999 ? >GLU~A 109 9.79 37.92 60.95 10.59 36.96 62.64 10.19 37.44 61.80 2 0 1000.00 -999 ? >PHE~A 110 13.57 44.82 58.52 14.93 47.27 58.61 14.25 46.04 58.57 3 0 1000.00 -999 ? >ASP~A 111 8.11 44.97 56.69 9.24 45.64 55.04 8.68 45.30 55.86 2 0 1000.00 -999 ? >ASN.A 112 5.56 43.18 60.82 5.03 42.64 58.83 5.29 42.91 59.82 2 0 1000.00 -999 ? >ILE^A 113 10.09 44.52 64.07 11.32 43.94 63.52 10.70 44.23 63.79 3 0 1000.00 -999 ? >ILE^A 114 7.29 48.58 66.83 6.37 49.28 67.31 6.83 48.93 67.07 3 0 1000.00 -999 ? >ILE^A 115 13.04 49.76 66.58 14.30 49.52 65.90 13.67 49.64 66.24 3 0 1000.00 -999 ? >GLU^A 116 11.55 50.79 73.36 10.51 49.87 74.98 11.03 50.33 74.17 2 0 1000.00 -999 ? >VAL^A 117 15.71 52.17 72.12 17.21 52.89 70.68 16.46 52.53 71.40 3 0 1000.00 -999 ? >THR^A 118 16.56 52.80 75.77 15.65 51.83 77.47 16.11 52.31 76.62 2 0 1000.00 -999 ? >VAL^A 119 19.50 54.99 76.67 20.42 56.42 75.30 19.96 55.71 75.99 3 0 1000.00 -999 ? >LEU^A 120 21.03 53.77 80.95 19.37 52.55 81.60 20.20 53.16 81.28 3 0 1000.00 -999 ? >THR.A 121 23.61 57.53 81.34 22.68 59.17 82.33 23.14 58.35 81.84 2 0 1000.00 -999 ? >LYS.A 122 26.81 56.33 82.97 32.91 57.07 84.35 29.86 56.70 83.66 2 0 1000.00 -999 ? >PRO.A 123 25.53 53.61 86.12 26.21 55.72 85.96 25.87 54.66 86.04 3 0 1000.00 -999 ? >GLN^A 124 28.91 59.46 86.45 29.12 61.24 85.32 29.01 60.35 85.88 2 0 1000.00 -999 ? >GLU^A 125 30.75 58.72 94.22 32.37 57.58 94.98 31.56 58.15 94.60 2 0 1000.00 -999 ? >ILE.A 126 25.94 61.26 94.97 24.55 61.62 95.06 25.25 61.44 95.01 3 0 1000.00 -999 ? >ASP.A 127 31.51 63.42 95.63 33.14 63.29 96.98 32.32 63.35 96.31 2 0 1000.00 -999 ? >VAL.A 128 28.44 64.85 99.18 26.40 65.59 99.06 27.42 65.22 99.12 3 0 1000.00 -999 ? >GLU.A 129 32.88 64.73 102.68 33.20 63.76 100.82 33.04 64.25 101.75 2 0 1000.00 -999 ? >ASN~A 130 26.69 67.05 104.45 25.88 67.62 106.34 26.29 67.33 105.40 2 0 1000.00 -999 ? >ARG~A 131 26.67 60.66 102.09 27.75 57.91 101.29 27.21 59.29 101.69 2 0 1000.00 -999 ? >TRP~A 132 21.27 63.32 108.86 17.58 62.74 107.56 19.43 63.03 108.21 3 0 1000.00 -999 ? >GLU~A 133 22.58 68.39 101.06 24.00 69.97 101.05 23.29 69.18 101.06 2 0 1000.00 -999 ? >LEU~A 134 22.24 61.77 100.55 22.65 60.65 98.75 22.44 61.21 99.65 3 0 1000.00 -999 ? >PRO~A 135 17.91 62.36 101.61 18.74 63.12 99.71 18.32 62.74 100.66 3 0 1000.00 -999 ? >LYS~A 136 18.39 66.57 97.87 16.66 70.42 101.14 17.53 68.50 99.50 2 0 1000.00 -999 ? >LYS~A 137 21.05 65.58 95.33 23.78 69.51 96.37 22.41 67.55 95.85 2 0 1000.00 -999 ? >ILE~A 138 18.59 61.73 94.15 18.68 60.75 95.08 18.64 61.24 94.62 3 0 1000.00 -999 ? >LYS.A 139 15.16 63.36 92.14 11.38 65.56 89.10 13.27 64.46 90.62 2 0 1000.00 -999 ? >VAL.A 140 12.45 60.68 92.07 11.18 59.72 93.56 11.82 60.20 92.82 3 0 1000.00 -999 ? >GLY.A 141 11.35 60.03 88.51 12.17 60.14 88.64 11.76 60.08 88.58 1 0 1000.00 -999 ? >GLU.A 142 13.89 63.51 87.09 14.46 65.53 86.74 14.18 64.52 86.91 2 0 1000.00 -999 ? >ASP.A 143 18.16 59.98 90.00 18.63 61.98 89.55 18.39 60.98 89.78 2 0 1000.00 -999 ? >GLY^A 144 18.24 55.58 89.04 18.74 56.28 89.40 18.49 55.93 89.22 1 0 1000.00 -999 ? >LEU^A 145 19.72 54.76 93.38 19.51 56.57 94.51 19.61 55.66 93.95 3 0 1000.00 -999 ? >ILE^A 146 24.35 52.17 91.82 25.03 51.47 90.74 24.69 51.82 91.28 3 0 1000.00 -999 ? >VAL^A 147 24.11 51.55 96.50 22.86 51.88 98.22 23.48 51.71 97.36 3 0 1000.00 -999 ? >GLU^A 148 27.56 49.70 94.53 28.77 50.07 92.85 28.16 49.89 93.69 2 0 1000.00 -999 ? >TYR^A 149 29.68 48.61 102.48 31.17 48.53 104.86 30.42 48.57 103.67 3 0 1000.00 -999 ? >GLY.A 150 32.37 46.40 98.72 31.58 46.52 98.37 31.97 46.46 98.54 1 0 1000.00 -999 ? >ILE.A 151 32.73 42.54 95.78 34.08 41.94 95.90 33.41 42.24 95.84 3 0 1000.00 -999 ? >LEU.A 152 29.62 41.36 99.92 30.76 39.60 100.40 30.19 40.48 100.16 3 0 1000.00 -999 ? >TYR^A 153 26.67 44.40 101.31 26.75 42.58 103.43 26.71 43.49 102.37 3 0 1000.00 -999 ? >SER^A 154 25.24 46.17 95.67 26.05 46.65 93.43 25.65 46.41 94.55 2 0 1000.00 -999 ? >GLY^A 155 21.75 47.51 95.04 22.35 47.92 94.60 22.05 47.72 94.82 1 0 1000.00 -999 ? >LEU^A 156 21.04 48.33 90.59 20.59 49.64 88.91 20.82 48.99 89.75 3 0 1000.00 -999 ? >LEU^A 157 16.31 51.29 92.22 14.74 50.33 93.33 15.52 50.81 92.78 3 0 1000.00 -999 ? >LEU.A 158 15.07 51.15 86.68 16.03 49.92 85.21 15.55 50.54 85.94 3 0 1000.00 -999 ? >PRO~A 159 15.96 55.78 85.74 14.77 54.97 87.41 15.36 55.38 86.58 3 0 1000.00 -999 ? >GLN~A 160 10.84 52.32 85.91 12.46 52.28 84.51 11.65 52.30 85.21 2 0 1000.00 -999 ? >VAL~A 161 10.57 52.30 90.26 11.63 50.51 90.92 11.10 51.41 90.59 3 0 1000.00 -999 ? >PRO~A 162 12.69 55.49 92.31 10.66 54.60 92.39 11.67 55.04 92.35 3 0 1000.00 -999 ? >MET?A 163 7.64 56.81 91.10 7.16 59.84 88.18 7.40 58.33 89.64 2 0 1000.00 -999 ? >GLU~A 164 7.09 52.05 89.50 7.37 50.42 88.18 7.23 51.23 88.84 2 0 1000.00 -999 ? >TYR~A 165 6.50 50.50 93.82 6.15 48.08 92.45 6.32 49.29 93.14 3 0 1000.00 -999 ? >CSS.A 166 4.92 56.38 94.99 2.48 55.09 94.46 3.70 55.73 94.72 2 0 1000.00 -999 ? >TRP.A 167 7.81 53.96 97.84 10.53 51.45 96.54 9.17 52.70 97.19 3 0 1000.00 -999 ? >ASP~A 168 9.55 60.81 99.56 10.32 59.81 101.25 9.93 60.31 100.41 2 0 1000.00 -999 ? >GLU~A 169 13.45 63.15 97.35 12.60 62.81 95.44 13.02 62.98 96.39 2 0 1000.00 -999 ? >GLU~A 170 14.94 61.05 102.98 13.68 62.60 103.64 14.31 61.82 103.31 2 0 1000.00 -999 ? >THR~A 171 12.29 56.12 100.99 10.17 55.73 101.20 11.23 55.93 101.10 2 0 1000.00 -999 ? >PHE~A 172 14.65 56.24 95.25 15.85 55.46 92.83 15.25 55.85 94.04 3 0 1000.00 -999 ? >LEU~A 173 18.18 56.70 99.82 18.83 57.80 98.10 18.51 57.25 98.96 3 0 1000.00 -999 ? >ALA~A 174 16.25 53.31 101.96 15.13 53.65 102.94 15.69 53.48 102.45 2 0 1000.00 -999 ? >GLU~A 175 12.15 51.29 99.52 11.64 49.70 100.81 11.89 50.50 100.17 2 0 1000.00 -999 ? >THR~A 176 17.81 50.65 97.50 18.44 51.93 95.87 18.12 51.29 96.68 2 0 1000.00 -999 ? >CSS~A 177 19.89 50.06 100.62 20.87 52.44 101.90 20.38 51.25 101.26 2 0 1000.00 -999 ? >ILE~A 178 16.03 47.26 101.71 14.85 47.06 102.56 15.44 47.17 102.14 3 0 1000.00 -999 ? >LYS~A 179 18.12 45.90 97.93 15.33 45.43 93.90 16.72 45.67 95.92 2 0 1000.00 -999 ? >ALA~A 180 21.86 46.05 98.54 22.62 47.34 98.75 22.24 46.69 98.65 2 0 1000.00 -999 ? >GLY~A 181 21.41 43.92 101.66 21.52 44.75 101.71 21.47 44.33 101.68 1 0 1000.00 -999 ? >LEU.A 182 22.92 48.09 103.27 24.98 47.99 102.61 23.95 48.04 102.94 3 0 1000.00 -999 ? >GLU.A 183 20.02 48.42 109.08 21.07 46.63 109.44 20.55 47.52 109.26 2 0 1000.00 -999 ? >PRO.A 184 15.90 49.77 106.55 17.78 50.62 105.73 16.84 50.20 106.14 3 0 1000.00 -999 ? >ASP~A 185 19.52 54.60 107.98 20.01 53.20 109.49 19.77 53.90 108.73 2 0 1000.00 -999 ? >CSS~A 186 22.83 52.84 104.84 22.77 51.75 102.17 22.80 52.29 103.50 2 0 1000.00 -999 ? >TRP~A 187 19.55 55.91 103.16 19.12 59.67 104.21 19.33 57.79 103.69 3 0 1000.00 -999 ? >LEU~A 188 23.07 58.36 106.92 21.24 59.47 107.21 22.16 58.91 107.06 3 0 1000.00 -999 ? >ASN~A 189 27.01 54.57 106.24 28.77 53.73 107.08 27.89 54.15 106.66 2 0 1000.00 -999 ? >ASN.A 190 31.18 58.50 104.84 30.52 60.51 105.11 30.85 59.51 104.97 2 0 1000.00 -999 ? >LYS.A 191 31.50 54.09 103.58 33.79 52.31 109.20 32.64 53.20 106.39 2 0 1000.00 -999 ? >VAL.A 192 28.53 53.32 101.32 26.57 52.49 101.81 27.55 52.91 101.57 3 0 1000.00 -999 ? >LYS^A 193 29.02 54.57 97.78 33.93 56.58 98.69 31.48 55.58 98.23 2 0 1000.00 -999 ? >ILE^A 194 25.05 56.73 96.83 23.78 56.74 97.59 24.41 56.73 97.21 3 0 1000.00 -999 ? >LYS^A 195 25.73 56.62 92.20 30.68 53.94 90.58 28.21 55.28 91.39 2 0 1000.00 -999 ? >LYS^A 196 22.86 58.02 90.19 22.68 64.32 90.78 22.77 61.17 90.49 2 0 1000.00 -999 ? >PHE^A 197 21.58 55.27 86.33 19.84 53.13 86.82 20.71 54.20 86.58 3 0 1000.00 -999 ? >GLN.A 198 19.49 61.14 84.85 21.57 61.12 85.34 20.53 61.13 85.10 2 0 1000.00 -999 ? >GLY^A 199 17.40 57.04 81.31 17.02 57.75 81.49 17.21 57.39 81.40 1 0 1000.00 -999 ? >ILE^A 200 15.47 58.94 77.73 15.61 59.81 76.63 15.54 59.37 77.18 3 0 1000.00 -999 ? >ILE^A 201 11.99 54.65 76.57 11.54 53.31 76.99 11.77 53.98 76.78 3 0 1000.00 -999 ? >PHE^A 202 14.26 57.76 72.00 15.81 59.68 73.31 15.04 58.72 72.65 3 0 1000.00 -999 ? >ARG^A 203 7.99 51.14 71.97 6.77 50.93 74.75 7.38 51.04 73.36 2 0 1000.00 -999 ? >GLU^A 204 9.99 53.01 65.49 10.50 51.68 63.94 10.25 52.34 64.71 2 0 1000.00 -999 ? >GLU.A 205 3.60 56.18 66.24 2.25 57.81 66.36 2.93 56.99 66.30 2 0 1000.00 -999 ? >LYS.A 206 4.27 52.07 64.07 1.62 50.95 59.57 2.94 51.51 61.82 2 0 1000.00 -999 ? >PRO.A 207 5.42 48.32 62.27 6.27 50.37 62.32 5.85 49.34 62.30 3 0 1000.00 -999 ? >LYS.A 208 9.23 52.72 60.39 9.24 49.34 55.45 9.23 51.03 57.92 2 0 1000.00 -999 ? >SER.A 209 6.93 55.54 61.50 6.63 55.60 63.91 6.78 55.57 62.71 2 0 1000.00 -999 ? >GLU.A 210 7.97 61.56 60.28 9.93 61.71 59.52 8.95 61.63 59.90 2 0 1000.00 -999 ? >LYS.A 211 6.64 59.95 64.62 0.77 60.36 64.07 3.70 60.15 64.35 2 0 1000.00 -999 ? >ILE^A 212 9.88 58.41 67.75 11.18 58.82 67.48 10.53 58.61 67.61 3 0 1000.00 -999 ? >LEU^A 213 6.28 57.20 71.81 4.43 56.48 70.94 5.36 56.84 71.38 3 0 1000.00 -999 ? >ILE^A 214 9.94 61.29 74.03 10.99 62.30 73.81 10.47 61.79 73.92 3 0 1000.00 -999 ? >ILE^A 215 8.60 56.42 77.08 7.57 55.38 77.00 8.09 55.90 77.04 3 0 1000.00 -999 ? >LYS~A 216 10.47 59.38 80.38 11.49 65.49 79.29 10.98 62.43 79.83 2 0 1000.00 -999 ? >PRO~A 217 13.05 57.13 83.07 10.97 57.95 83.12 12.01 57.54 83.10 3 0 1000.00 -999 ? >SER~A 218 9.40 60.85 85.25 9.96 62.78 83.85 9.68 61.81 84.55 2 0 1000.00 -999 ? >GLU~A 219 6.83 61.53 81.32 7.03 61.22 79.23 6.93 61.37 80.28 2 0 1000.00 -999 ? >VAL~A 220 5.27 57.06 85.17 6.41 55.19 85.29 5.84 56.12 85.23 3 0 1000.00 -999 ? >LYS.A 221 2.10 56.93 87.29 -2.69 58.81 86.43 -0.30 57.87 86.86 2 0 1000.00 -999 ? >CSS~A 222 2.13 55.89 90.93 1.04 56.23 93.60 1.58 56.06 92.26 2 0 1000.00 -999 ? >LYS~A 223 0.58 52.39 90.85 2.33 49.05 93.52 1.46 50.72 92.19 2 0 1000.00 -999 ? >LYS~A 224 -2.04 53.47 93.46 -0.63 52.35 98.74 -1.34 52.91 96.10 2 0 1000.00 -999 ? >GLU~A 225 -2.77 57.87 91.77 -1.26 59.32 91.51 -2.01 58.60 91.64 2 0 1000.00 -999 ? >GLU~A 226 -2.29 51.91 86.64 -0.76 53.36 86.47 -1.52 52.63 86.55 2 0 1000.00 -999 ? >ILE.A 227 -8.21 51.79 86.04 -9.41 52.63 86.20 -8.81 52.21 86.12 3 0 1000.00 -999 ? >LEU.B 6 32.04 16.40 88.31 33.49 18.01 88.26 32.76 17.21 88.29 3 0 1000.00 -999 ? >VAL.B 7 28.33 18.40 86.90 29.60 18.88 85.18 28.97 18.64 86.04 3 0 1000.00 -999 ? >ALA.B 8 24.58 18.07 87.24 23.65 19.12 87.85 24.11 18.59 87.54 2 0 1000.00 -999 ? >VAL.B 9 22.68 16.55 84.30 22.98 14.64 83.28 22.83 15.60 83.79 3 0 1000.00 -999 ? >ASN.B 10 18.15 15.29 82.90 16.12 15.54 83.48 17.13 15.42 83.19 2 0 1000.00 -999 ? >GLU.B 11 21.56 12.90 87.26 23.42 13.53 88.05 22.49 13.21 87.66 2 0 1000.00 -999 ? >LEU.B 12 16.85 17.66 88.27 18.43 19.03 88.74 17.64 18.34 88.50 3 0 1000.00 -999 ? >ASN~B 13 13.05 13.68 90.06 13.86 13.54 92.02 13.45 13.61 91.04 2 0 1000.00 -999 ? >GLU~B 14 7.42 16.55 91.27 5.58 15.86 90.48 6.50 16.20 90.87 2 0 1000.00 -999 ? >ASN~B 15 11.38 14.47 94.90 11.67 14.49 97.00 11.52 14.48 95.95 2 0 1000.00 -999 ? >LEU~B 16 15.53 17.11 92.82 17.30 17.76 93.86 16.42 17.43 93.34 3 0 1000.00 -999 ? >GLY~B 17 12.79 20.59 92.27 12.69 20.21 93.04 12.74 20.40 92.65 1 0 1000.00 -999 ? >LYS~B 18 10.70 20.83 95.45 6.67 17.03 97.47 8.69 18.93 96.46 2 0 1000.00 -999 ? >VAL~B 19 13.90 20.75 97.48 15.21 19.15 98.19 14.56 19.95 97.84 3 0 1000.00 -999 ? >LEU~B 20 15.60 23.43 93.79 17.36 22.49 92.95 16.48 22.96 93.37 3 0 1000.00 -999 ? >ILE~B 21 10.79 25.15 95.23 9.59 25.33 94.51 10.19 25.24 94.87 3 0 1000.00 -999 ? >LYS~B 22 12.47 25.10 99.45 11.06 24.23 104.04 11.76 24.67 101.75 2 0 1000.00 -999 ? >ILE~B 23 17.24 25.57 98.54 18.48 24.92 98.36 17.86 25.25 98.45 3 0 1000.00 -999 ? >ALA~B 24 14.98 29.18 97.40 14.27 29.08 96.07 14.62 29.13 96.73 2 0 1000.00 -999 ? >ARG~B 25 8.53 29.30 101.08 7.35 29.11 98.25 7.94 29.20 99.67 2 0 1000.00 -999 ? >ASP~B 26 14.83 28.23 103.49 13.37 26.83 104.05 14.10 27.53 103.77 2 0 1000.00 -999 ? >SER~B 27 17.10 31.61 101.59 18.52 30.15 100.25 17.81 30.88 100.92 2 0 1000.00 -999 ? >ILE~B 28 13.52 34.47 99.85 12.77 34.89 98.72 13.14 34.68 99.29 3 0 1000.00 -999 ? >ALA~B 29 13.09 34.04 104.22 12.51 32.71 104.73 12.80 33.37 104.48 2 0 1000.00 -999 ? >ASN~B 30 17.70 33.32 105.45 19.43 33.75 106.61 18.57 33.54 106.03 2 0 1000.00 -999 ? >LYS~B 31 17.57 37.41 104.09 22.48 37.30 102.98 20.02 37.36 103.53 2 0 1000.00 -999 ? >LEU~B 32 12.78 38.30 104.52 11.66 39.15 102.87 12.22 38.73 103.69 3 0 1000.00 -999 ? >GLY.B 33 14.92 38.11 108.60 14.31 37.70 108.17 14.62 37.91 108.39 1 0 1000.00 -999 ? >ILE.B 34 11.02 35.45 107.72 9.68 35.57 107.18 10.35 35.51 107.45 3 0 1000.00 -999 ? >LEU.B 35 13.97 31.46 107.72 14.03 29.30 107.84 14.00 30.38 107.78 3 0 1000.00 -999 ? >LYS.B 36 16.69 32.83 111.51 17.74 38.12 111.50 17.21 35.48 111.50 2 0 1000.00 -999 ? >ILE.B 37 18.49 29.03 109.59 17.45 28.59 108.67 17.97 28.81 109.13 3 0 1000.00 -999 ? >ASN~B 38 23.94 29.65 110.14 25.78 30.08 109.13 24.86 29.86 109.63 2 0 1000.00 -999 ? >LEU~B 39 22.10 31.12 104.66 20.70 31.05 102.99 21.40 31.08 103.83 3 0 1000.00 -999 ? >GLU~B 40 27.53 30.53 105.39 29.29 31.09 106.42 28.41 30.81 105.91 2 0 1000.00 -999 ? >ASP~B 41 25.19 25.89 109.20 26.71 27.08 110.06 25.95 26.49 109.63 2 0 1000.00 -999 ? >TYR~B 42 19.62 25.86 105.27 17.39 25.08 103.78 18.50 25.47 104.53 3 0 1000.00 -999 ? >LEU~B 43 23.82 25.76 101.89 22.63 27.21 100.79 23.22 26.49 101.34 3 0 1000.00 -999 ? >SER~B 44 26.12 22.55 104.14 27.92 24.13 104.54 27.02 23.34 104.34 2 0 1000.00 -999 ? >SER~B 45 23.52 20.52 106.04 21.50 20.11 107.31 22.51 20.32 106.67 2 0 1000.00 -999 ? >LEU~B 46 21.11 20.21 101.85 19.17 21.10 102.22 20.14 20.65 102.04 3 0 1000.00 -999 ? >ASN.B 47 24.97 15.77 102.85 23.63 14.64 104.06 24.30 15.21 103.46 2 0 1000.00 -999 ? >ASP~B 48 20.93 15.46 98.41 20.20 14.19 96.88 20.57 14.82 97.64 2 0 1000.00 -999 ? >PRO~B 49 24.93 12.10 97.08 24.47 14.25 96.76 24.70 13.17 96.92 3 0 1000.00 -999 ? >ILE~B 50 21.70 15.25 92.73 20.23 15.52 92.57 20.96 15.38 92.65 3 0 1000.00 -999 ? >LEU~B 51 21.84 19.11 96.61 19.74 19.29 97.04 20.79 19.20 96.82 3 0 1000.00 -999 ? >ASN~B 52 27.10 18.57 96.21 26.40 18.43 98.24 26.75 18.50 97.23 2 0 1000.00 -999 ? >LYS~B 53 26.57 18.84 91.58 25.84 12.98 89.58 26.20 15.91 90.58 2 0 1000.00 -999 ? >LYS^B 54 27.41 21.89 89.51 33.64 22.04 90.61 30.52 21.97 90.06 2 0 1000.00 -999 ? >GLY^B 55 25.12 23.71 87.14 25.39 24.26 87.72 25.25 23.98 87.43 1 0 1000.00 -999 ? >LEU^B 56 23.53 27.56 84.89 25.35 28.28 83.95 24.44 27.92 84.42 3 0 1000.00 -999 ? >ALA^B 57 20.30 28.38 87.90 20.31 28.00 89.39 20.30 28.19 88.65 2 0 1000.00 -999 ? >PHE^B 58 18.72 31.38 85.16 20.93 31.03 83.47 19.83 31.20 84.31 3 0 1000.00 -999 ? >VAL^B 59 14.86 32.04 89.74 14.73 31.50 91.86 14.80 31.77 90.80 3 0 1000.00 -999 ? >THR^B 60 11.71 33.95 88.98 10.85 34.36 87.06 11.28 34.15 88.02 2 0 1000.00 -999 ? >LEU^B 61 9.80 35.84 92.86 11.07 35.01 94.38 10.43 35.42 93.62 3 0 1000.00 -999 ? >GLU^B 62 5.06 34.13 89.13 4.08 32.36 88.47 4.57 33.24 88.80 2 0 1000.00 -999 ? >THR^B 63 4.39 38.30 93.61 6.22 39.44 93.87 5.31 38.87 93.74 2 0 1000.00 -999 ? >TYR.B 64 -0.23 39.65 95.49 -1.70 37.37 96.19 -0.96 38.51 95.84 3 0 1000.00 -999 ? >TYR.B 65 5.59 43.80 93.70 8.00 42.83 94.76 6.80 43.32 94.23 3 0 1000.00 -999 ? >GLY^B 66 5.13 41.45 89.39 5.21 41.03 90.05 5.17 41.24 89.72 1 0 1000.00 -999 ? >ASN^B 67 7.32 37.98 87.03 5.74 36.56 87.12 6.53 37.27 87.07 2 0 1000.00 -999 ? >SER^B 68 10.98 39.29 89.86 10.35 40.47 91.89 10.66 39.88 90.88 2 0 1000.00 -999 ? >THR^B 69 13.86 37.35 88.34 14.19 37.36 86.19 14.03 37.36 87.27 2 0 1000.00 -999 ? >SER.B 70 17.44 36.13 88.89 19.21 34.43 88.70 18.33 35.28 88.79 2 0 1000.00 -999 ? >LEU.B 71 18.26 37.31 84.32 16.55 36.71 83.10 17.41 37.01 83.71 3 0 1000.00 -999 ? >ARG.B 72 18.50 44.83 83.23 19.99 47.44 83.86 19.24 46.13 83.55 2 0 1000.00 -999 ? >GLY.B 73 16.52 40.73 80.96 17.23 41.12 81.10 16.88 40.92 81.03 1 0 1000.00 -999 ? >CSS.B 74 18.41 41.14 77.66 16.06 42.66 77.45 17.24 41.90 77.56 2 0 1000.00 -999 ? >ILE.B 75 22.63 41.32 79.01 23.39 41.94 80.08 23.01 41.63 79.54 3 0 1000.00 -999 ? >GLY.B 76 23.82 36.71 78.83 23.19 36.65 78.43 23.51 36.68 78.63 1 0 1000.00 -999 ? >TYR.B 77 19.51 32.90 79.17 17.15 31.87 80.28 18.33 32.38 79.72 3 0 1000.00 -999 ? >VAL.B 78 24.92 31.40 80.68 25.71 30.13 79.04 25.31 30.76 79.86 3 0 1000.00 -999 ? >GLU.B 79 24.59 32.91 85.10 24.02 34.37 83.67 24.30 33.64 84.39 2 0 1000.00 -999 ? >ALA.B 80 29.44 30.52 85.98 30.41 31.34 86.82 29.93 30.93 86.40 2 0 1000.00 -999 ? >VAL.B 81 28.59 26.93 86.92 28.70 25.14 85.66 28.65 26.03 86.29 3 0 1000.00 -999 ? >ALA^B 82 28.35 26.09 90.64 28.16 27.43 91.33 28.25 26.76 90.99 2 0 1000.00 -999 ? >PRO^B 83 28.83 23.81 94.32 27.20 24.20 92.87 28.02 24.01 93.60 3 0 1000.00 -999 ? >LEU~B 84 22.17 22.28 92.47 21.54 21.69 90.50 21.85 21.99 91.49 3 0 1000.00 -999 ? >LYS~B 85 22.05 24.40 96.34 25.79 21.20 100.46 23.92 22.80 98.40 2 0 1000.00 -999 ? >GLU~B 86 26.86 28.37 96.10 28.83 28.06 95.32 27.84 28.22 95.71 2 0 1000.00 -999 ? >ILE~B 87 24.07 28.42 91.62 23.89 28.21 90.18 23.98 28.32 90.90 3 0 1000.00 -999 ? >VAL~B 88 19.85 28.26 93.56 18.40 26.67 93.45 19.12 27.47 93.50 3 0 1000.00 -999 ? >SER~B 89 20.05 29.94 96.98 20.85 30.35 99.24 20.45 30.15 98.11 2 0 1000.00 -999 ? >LYS~B 90 22.06 32.83 95.58 27.54 34.94 93.12 24.80 33.88 94.35 2 0 1000.00 -999 ? >ALA~B 91 19.61 33.25 92.65 19.42 32.25 91.49 19.51 32.75 92.07 2 0 1000.00 -999 ? >ALA~B 92 16.51 33.12 94.87 16.19 32.05 95.89 16.35 32.59 95.38 2 0 1000.00 -999 ? >ILE~B 93 19.17 36.00 97.81 19.91 36.09 99.01 19.54 36.04 98.41 3 0 1000.00 -999 ? >ALA~B 94 18.75 37.87 93.77 19.76 37.42 92.72 19.25 37.65 93.25 2 0 1000.00 -999 ? >ALA~B 95 15.23 37.36 92.46 14.57 36.03 92.14 14.90 36.69 92.30 2 0 1000.00 -999 ? >ALA~B 96 13.81 38.79 95.69 13.69 37.93 96.96 13.75 38.36 96.33 2 0 1000.00 -999 ? >PHE~B 97 16.51 40.98 98.82 15.48 39.88 101.19 15.99 40.43 100.00 3 0 1000.00 -999 ? >SER~B 98 18.15 42.50 93.25 20.00 41.21 94.13 19.08 41.85 93.69 2 0 1000.00 -999 ? >ASP.B 99 14.44 42.25 90.04 13.74 42.39 88.05 14.09 42.32 89.05 2 0 1000.00 -999 ? >PRO.B 100 17.27 45.77 87.33 16.29 45.91 89.32 16.78 45.84 88.33 3 0 1000.00 -999 ? >ARG.B 101 12.61 44.95 84.99 11.94 41.96 84.95 12.27 43.45 84.97 2 0 1000.00 -999 ? >PHE.B 102 10.03 44.12 90.46 8.82 42.99 88.19 9.42 43.56 89.32 3 0 1000.00 -999 ? >PRO.B 103 9.11 47.99 94.86 11.07 46.95 94.64 10.09 47.47 94.75 3 0 1000.00 -999 ? >PRO.B 104 13.98 46.59 98.62 12.72 45.22 97.37 13.35 45.91 97.99 3 0 1000.00 -999 ? >LEU.B 105 10.90 40.26 98.58 9.25 38.87 98.87 10.07 39.56 98.72 3 0 1000.00 -999 ? >SER~B 106 8.64 42.69 101.67 6.32 43.08 101.04 7.48 42.89 101.35 2 0 1000.00 -999 ? >LYS~B 107 8.05 40.28 104.54 12.11 42.58 108.82 10.08 41.43 106.68 2 0 1000.00 -999 ? >GLY~B 108 4.32 40.90 104.11 4.85 40.64 103.53 4.58 40.77 103.82 1 0 1000.00 -999 ? >GLU~B 109 4.01 42.07 99.36 4.85 43.58 98.18 4.43 42.83 98.77 2 0 1000.00 -999 ? >PHE~B 110 8.36 35.45 102.37 9.43 32.89 102.67 8.89 34.17 102.52 3 0 1000.00 -999 ? >ASP~B 111 2.98 34.62 103.08 3.95 34.84 104.94 3.46 34.73 104.01 2 0 1000.00 -999 ? >ASN.B 112 1.43 36.44 98.36 0.80 37.34 100.16 1.12 36.89 99.26 2 0 1000.00 -999 ? >ILE.B 113 6.72 34.77 96.53 7.84 35.10 97.41 7.28 34.94 96.97 3 0 1000.00 -999 ? >ILE^B 114 3.97 31.46 92.81 2.71 30.80 92.35 3.34 31.13 92.58 3 0 1000.00 -999 ? >ILE^B 115 9.60 29.90 94.37 10.73 30.12 95.30 10.16 30.01 94.84 3 0 1000.00 -999 ? >GLU^B 116 10.01 28.98 87.39 9.37 29.87 85.57 9.69 29.43 86.48 2 0 1000.00 -999 ? >VAL^B 117 13.56 27.62 89.59 14.74 26.92 91.29 14.15 27.27 90.44 3 0 1000.00 -999 ? >THR^B 118 15.31 26.97 86.26 14.77 27.90 84.37 15.04 27.44 85.32 2 0 1000.00 -999 ? >VAL^B 119 18.42 24.81 86.05 18.87 23.38 87.61 18.64 24.09 86.83 3 0 1000.00 -999 ? >LEU^B 120 20.84 25.66 82.15 19.44 26.86 81.03 20.14 26.26 81.59 3 0 1000.00 -999 ? >THR.B 121 23.48 21.90 82.64 22.84 20.28 81.36 23.16 21.09 82.00 2 0 1000.00 -999 ? >LYS.B 122 26.97 23.22 81.94 33.18 22.96 83.25 30.08 23.09 82.60 2 0 1000.00 -999 ? >PRO.B 123 26.68 26.02 78.63 27.28 23.90 78.92 26.98 24.96 78.78 3 0 1000.00 -999 ? >GLN^B 124 28.94 19.36 78.91 30.74 19.37 80.05 29.84 19.37 79.48 2 0 1000.00 -999 ? >GLU^B 125 33.54 20.58 72.20 35.35 21.62 71.82 34.45 21.10 72.01 2 0 1000.00 -999 ? >ILE.B 126 29.07 18.21 70.18 27.69 17.92 69.79 28.38 18.07 69.99 3 0 1000.00 -999 ? >ASP.B 127 34.49 15.71 71.03 35.55 17.37 71.80 35.02 16.54 71.41 2 0 1000.00 -999 ? >VAL.B 128 32.78 14.14 66.86 30.72 13.45 66.67 31.75 13.79 66.76 3 0 1000.00 -999 ? >GLU.B 129 37.04 12.19 62.73 38.26 10.47 62.73 37.65 11.33 62.73 2 0 1000.00 -999 ? >ASN.B 130 32.49 12.89 60.54 31.22 13.43 58.91 31.85 13.16 59.72 2 0 1000.00 -999 ? >ARG.B 131 31.19 18.85 63.65 32.48 21.44 64.70 31.84 20.14 64.17 2 0 1000.00 -999 ? >TRP.B 132 28.80 15.08 55.35 25.31 16.89 55.25 27.06 15.99 55.30 3 0 1000.00 -999 ? >GLU~B 133 28.17 11.72 63.07 29.48 13.34 62.78 28.83 12.53 62.93 2 0 1000.00 -999 ? >LEU~B 134 27.16 17.32 64.34 27.73 18.81 65.78 27.45 18.07 65.06 3 0 1000.00 -999 ? >PRO~B 135 23.25 17.00 62.14 23.55 16.09 64.14 23.40 16.54 63.14 3 0 1000.00 -999 ? >LYS~B 136 22.77 12.64 65.79 21.25 9.23 61.58 22.01 10.94 63.68 2 0 1000.00 -999 ? >LYS~B 137 24.33 14.00 68.99 29.24 11.65 69.24 26.78 12.82 69.11 2 0 1000.00 -999 ? >ILE~B 138 21.59 17.81 68.43 21.96 19.16 68.16 21.77 18.49 68.30 3 0 1000.00 -999 ? >LYS.B 139 17.89 16.12 70.35 18.05 11.23 73.91 17.97 13.68 72.13 2 0 1000.00 -999 ? >VAL.B 140 15.23 18.72 69.60 14.44 19.54 67.75 14.84 19.13 68.68 3 0 1000.00 -999 ? >GLY.B 141 13.12 19.69 72.57 13.95 19.51 72.65 13.53 19.60 72.61 1 0 1000.00 -999 ? >GLU.B 142 17.01 16.54 75.95 17.15 14.41 75.86 17.08 15.48 75.91 2 0 1000.00 -999 ? >ASP.B 143 20.23 19.70 73.09 20.77 17.79 73.81 20.50 18.74 73.45 2 0 1000.00 -999 ? >GLY^B 144 20.16 24.03 73.88 20.73 23.33 73.65 20.44 23.68 73.76 1 0 1000.00 -999 ? >LEU^B 145 22.56 24.88 69.97 22.57 23.00 68.94 22.56 23.94 69.45 3 0 1000.00 -999 ? >ILE^B 146 26.70 27.38 72.77 27.24 28.11 73.94 26.97 27.74 73.35 3 0 1000.00 -999 ? >VAL^B 147 27.85 28.00 68.27 27.18 27.76 66.20 27.51 27.88 67.23 3 0 1000.00 -999 ? >GLU^B 148 31.42 30.18 71.15 32.45 29.76 72.95 31.94 29.97 72.05 2 0 1000.00 -999 ? >TYR^B 149 34.79 30.69 63.98 36.99 31.06 62.30 35.89 30.88 63.14 3 0 1000.00 -999 ? >GLY.B 150 36.69 33.21 67.45 35.99 32.87 67.91 36.34 33.04 67.68 1 0 1000.00 -999 ? >ILE.B 151 36.35 36.34 70.93 37.69 36.32 71.57 37.02 36.33 71.25 3 0 1000.00 -999 ? >LEU.B 152 34.01 38.43 66.28 35.81 39.59 66.45 34.91 39.01 66.36 3 0 1000.00 -999 ? >TYR^B 153 31.87 35.15 64.18 32.82 37.03 62.33 32.34 36.09 63.25 3 0 1000.00 -999 ? >SER^B 154 28.78 33.14 69.02 29.33 34.84 70.66 29.05 33.99 69.84 2 0 1000.00 -999 ? >GLY^B 155 25.17 32.04 68.90 25.65 31.59 69.44 25.41 31.82 69.17 1 0 1000.00 -999 ? >LEU^B 156 23.36 31.06 72.95 22.74 30.29 74.87 23.05 30.67 73.91 3 0 1000.00 -999 ? >LEU^B 157 18.97 28.50 70.25 17.87 29.36 68.61 18.42 28.93 69.43 3 0 1000.00 -999 ? >LEU.B 158 16.47 28.60 75.36 17.22 30.04 76.75 16.85 29.32 76.05 3 0 1000.00 -999 ? >PRO~B 159 17.11 23.86 76.32 16.26 24.86 74.54 16.68 24.36 75.43 3 0 1000.00 -999 ? >GLN~B 160 11.86 26.36 76.31 13.65 27.24 77.09 12.75 26.80 76.70 2 0 1000.00 -999 ? >VAL~B 161 12.91 27.27 70.54 14.05 29.07 70.14 13.48 28.17 70.34 3 0 1000.00 -999 ? >PRO~B 162 15.36 23.89 69.10 13.38 24.76 68.75 14.37 24.32 68.93 3 0 1000.00 -999 ? >MET?B 163 9.90 22.92 69.39 9.09 19.57 70.60 9.50 21.24 69.99 2 0 1000.00 -999 ? >GLU~B 164 8.37 27.73 71.22 9.58 29.26 72.08 8.98 28.49 71.65 2 0 1000.00 -999 ? >TYR~B 165 9.85 28.67 65.58 9.44 31.11 66.88 9.65 29.89 66.23 3 0 1000.00 -999 ? >CYH.B 166 9.10 22.59 64.69 6.50 21.41 64.63 7.80 22.00 64.66 2 0 1000.00 -999 ? >TRP.B 167 12.65 25.53 62.64 14.59 28.19 64.80 13.62 26.86 63.72 3 0 1000.00 -999 ? >ASP~B 168 14.69 18.58 61.84 15.44 19.61 60.14 15.07 19.10 60.99 2 0 1000.00 -999 ? >GLU~B 169 18.81 16.69 65.56 16.76 16.25 65.89 17.79 16.47 65.72 2 0 1000.00 -999 ? >GLU~B 170 20.24 18.32 59.60 18.99 16.98 60.64 19.61 17.65 60.12 2 0 1000.00 -999 ? >THR~B 171 17.57 23.38 60.84 15.57 23.77 60.13 16.57 23.58 60.48 2 0 1000.00 -999 ? >PHE~B 172 18.19 23.42 67.06 18.44 24.39 69.69 18.31 23.91 68.38 3 0 1000.00 -999 ? >LEU~B 173 22.91 22.87 63.32 23.25 21.32 64.77 23.08 22.09 64.05 3 0 1000.00 -999 ? >ALA~B 174 21.63 26.30 61.01 20.82 25.94 59.74 21.22 26.12 60.38 2 0 1000.00 -999 ? >GLU~B 175 17.07 28.27 62.67 16.69 29.85 61.34 16.88 29.06 62.01 2 0 1000.00 -999 ? >THR~B 176 22.08 29.02 65.71 22.35 27.70 67.43 22.22 28.36 66.57 2 0 1000.00 -999 ? >CSS~B 177 24.77 29.50 63.03 25.92 27.11 61.97 25.35 28.30 62.50 2 0 1000.00 -999 ? >ILE~B 178 21.45 32.45 61.01 20.49 32.60 59.98 20.97 32.53 60.50 3 0 1000.00 -999 ? >LYS~B 179 22.48 33.88 65.08 19.29 34.10 68.65 20.89 33.99 66.87 2 0 1000.00 -999 ? >ALA~B 180 26.24 33.52 65.62 27.01 32.21 65.58 26.63 32.86 65.60 2 0 1000.00 -999 ? >GLY~B 181 26.56 35.56 62.42 26.71 34.74 62.40 26.63 35.15 62.41 1 0 1000.00 -999 ? >LEU.B 182 28.51 31.55 61.02 30.29 31.92 62.20 29.40 31.74 61.61 3 0 1000.00 -999 ? >GLU.B 183 26.71 30.81 54.71 26.86 32.91 54.49 26.79 31.86 54.60 2 0 1000.00 -999 ? >PRO.B 184 22.32 29.58 56.45 24.04 28.73 57.57 23.18 29.16 57.01 3 0 1000.00 -999 ? >ASP.B 185 26.72 25.16 55.76 27.62 26.83 54.80 27.17 26.00 55.28 2 0 1000.00 -999 ? >CSS.B 186 28.69 26.72 59.86 27.81 27.72 62.39 28.25 27.22 61.12 2 0 1000.00 -999 ? >TRP.B 187 25.13 23.69 60.67 24.60 19.99 59.45 24.87 21.84 60.06 3 0 1000.00 -999 ? >LEU.B 188 29.91 21.28 57.97 28.13 20.28 57.31 29.02 20.78 57.64 3 0 1000.00 -999 ? >ASN.B 189 33.21 25.31 59.44 35.08 26.18 58.95 34.15 25.74 59.20 2 0 1000.00 -999 ? >ASN.B 190 36.75 21.10 61.56 36.24 19.67 60.06 36.50 20.38 60.81 2 0 1000.00 -999 ? >LYS.B 191 36.82 25.33 63.24 38.00 26.60 58.78 37.41 25.96 61.01 2 0 1000.00 -999 ? >VAL.B 192 33.35 26.03 64.62 31.65 26.87 63.52 32.50 26.45 64.07 3 0 1000.00 -999 ? >LYS^B 193 32.77 24.89 68.21 36.12 24.91 73.58 34.44 24.90 70.90 2 0 1000.00 -999 ? >ILE^B 194 28.77 22.58 67.86 27.78 22.47 66.76 28.28 22.52 67.31 3 0 1000.00 -999 ? >LYS^B 195 28.03 23.00 72.55 32.30 26.23 76.02 30.17 24.61 74.28 2 0 1000.00 -999 ? >LYS^B 196 24.91 21.31 73.90 24.89 15.63 73.88 24.90 18.47 73.89 2 0 1000.00 -999 ? >PHE^B 197 22.74 24.43 77.28 21.10 26.63 76.62 21.92 25.53 76.95 3 0 1000.00 -999 ? >GLN.B 198 20.43 18.78 79.54 22.11 18.25 78.34 21.27 18.51 78.94 2 0 1000.00 -999 ? >GLY^B 199 17.59 22.44 81.43 17.17 21.85 81.06 17.38 22.15 81.24 1 0 1000.00 -999 ? >ILE^B 200 14.61 20.70 84.33 14.42 19.88 85.50 14.52 20.29 84.91 3 0 1000.00 -999 ? >ILE^B 201 11.04 25.31 83.92 10.80 26.54 83.16 10.92 25.92 83.54 3 0 1000.00 -999 ? >PHE^B 202 12.06 22.14 89.22 13.59 19.87 88.74 12.83 21.01 88.98 3 0 1000.00 -999 ? >ARG^B 203 5.49 28.80 87.75 4.87 28.28 84.79 5.18 28.54 86.27 2 0 1000.00 -999 ? >GLU^B 204 6.32 26.83 94.14 6.31 27.68 96.08 6.31 27.25 95.11 2 0 1000.00 -999 ? >GLU.B 205 0.44 23.35 92.17 -1.04 21.86 91.88 -0.30 22.61 92.02 2 0 1000.00 -999 ? >LYS.B 206 0.60 27.57 94.60 -1.60 28.19 99.35 -0.50 27.88 96.97 2 0 1000.00 -999 ? >PRO.B 207 1.60 31.22 96.83 2.22 29.09 96.78 1.91 30.15 96.81 3 0 1000.00 -999 ? >LYS.B 208 4.50 26.40 99.08 4.43 27.10 104.79 4.46 26.75 101.94 2 0 1000.00 -999 ? >SER.B 209 2.32 23.87 97.26 2.87 24.25 94.90 2.59 24.06 96.08 2 0 1000.00 -999 ? >GLU.B 210 2.75 19.06 100.23 4.81 18.71 100.59 3.78 18.88 100.41 2 0 1000.00 -999 ? >LYS.B 211 3.13 19.56 94.24 -0.01 18.81 88.85 1.56 19.19 91.54 2 0 1000.00 -999 ? >ILE^B 212 6.90 21.62 92.34 8.02 21.44 93.07 7.46 21.53 92.71 3 0 1000.00 -999 ? >LEU^B 213 4.24 22.42 87.36 2.19 22.94 87.89 3.22 22.68 87.63 3 0 1000.00 -999 ? >ILE^B 214 8.32 19.27 85.28 9.40 18.29 85.51 8.86 18.78 85.40 3 0 1000.00 -999 ? >ILE^B 215 7.23 24.65 82.82 6.72 25.86 83.18 6.97 25.25 83.00 3 0 1000.00 -999 ? >LYS.B 216 7.61 22.16 78.96 12.41 22.76 76.39 10.01 22.46 77.67 2 0 1000.00 -999 ? >PRO.B 217 6.24 24.21 75.35 5.70 22.35 76.45 5.97 23.28 75.90 3 0 1000.00 -999 ? >SER.B 218 3.45 19.02 74.75 1.83 19.61 73.04 2.64 19.32 73.90 2 0 1000.00 -999 ? >GLU.B 219 4.51 14.33 74.19 3.45 12.55 73.78 3.98 13.44 73.98 2 0 1000.00 -999 ?