REMARK SOURCE hebe.pdb HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 29-NOV-04 1WTY COMPND HYPOTHETICAL PROTEIN TTHA0048; COMPND 3 CHAIN: A, B, C, D; COMPND 4 SYNONYM: PROBABLE NUCLEOTIDYLTRANSFERASE PROTEIN; 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); SOURCE 8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 9 EXPRESSION_SYSTEM_PLASMID: PET11A AUTHOR Y.KITAMURA,S.YOKOYAMA,S.KURAMITSU,RIKEN STRUCTURAL AUTHOR 2 GENOMICS/PROTEOMICS INITIATIVE (RSGI) HET MSE A 78 8 HET MSE B 78 8 HET MSE C 78 8 HET MSE D 78 8 >ALA.A 2 32.65 57.49 79.39 32.62 56.04 78.90 32.64 56.76 79.14 2 0 1000.00 -999 ? >SER~A 3 35.92 57.99 81.26 37.27 58.58 83.22 36.60 58.29 82.24 2 0 1000.00 -999 ? >LEU~A 4 39.83 56.71 78.64 41.00 55.40 77.38 40.42 56.05 78.01 3 0 1000.00 -999 ? >ALA~A 5 40.81 57.02 83.01 40.90 58.40 83.65 40.85 57.71 83.33 2 0 1000.00 -999 ? >ARG~A 6 36.51 54.31 87.30 36.34 52.34 89.66 36.42 53.32 88.48 2 0 1000.00 -999 ? >ALA~A 7 38.28 52.18 82.69 38.01 52.17 81.19 38.15 52.17 81.94 2 0 1000.00 -999 ? >VAL~A 8 42.07 52.07 83.00 43.77 53.03 81.99 42.92 52.55 82.49 3 0 1000.00 -999 ? >GLU~A 9 41.12 53.24 89.11 40.28 54.86 90.20 40.70 54.05 89.65 2 0 1000.00 -999 ? >ARG~A 10 35.64 50.19 86.05 33.52 48.33 84.89 34.58 49.26 85.47 2 0 1000.00 -999 ? >LEU~A 11 42.27 47.63 83.43 43.32 46.24 82.15 42.79 46.93 82.79 3 0 1000.00 -999 ? >LYS~A 12 44.66 48.41 87.10 48.05 52.91 89.90 46.35 50.66 88.50 2 0 1000.00 -999 ? >ALA~A 13 42.74 47.44 90.25 41.41 47.99 90.70 42.08 47.72 90.47 2 0 1000.00 -999 ? >ALA~A 14 42.19 43.90 88.95 41.26 43.54 87.80 41.73 43.72 88.38 2 0 1000.00 -999 ? >LEU~A 15 46.49 44.18 86.74 46.20 43.49 84.70 46.34 43.83 85.72 3 0 1000.00 -999 ? >GLU~A 16 47.41 46.98 91.25 47.81 48.63 92.52 47.61 47.81 91.89 2 0 1000.00 -999 ? >ARG.A 17 41.55 42.77 94.04 41.74 44.37 96.65 41.65 43.57 95.35 2 0 1000.00 -999 ? >PRO.A 18 46.27 38.76 96.06 46.06 38.77 93.85 46.16 38.77 94.96 3 0 1000.00 -999 ? >LYS.A 19 45.45 35.98 90.79 47.34 32.60 85.85 46.40 34.29 88.32 2 0 1000.00 -999 ? >ASP~A 20 41.96 33.36 92.12 40.29 34.68 92.22 41.13 34.02 92.17 2 0 1000.00 -999 ? >GLU~A 21 38.62 30.74 89.30 37.19 29.18 89.07 37.90 29.96 89.18 2 0 1000.00 -999 ? >PHE~A 22 36.25 33.78 90.50 35.03 31.31 91.03 35.64 32.55 90.76 3 0 1000.00 -999 ? >ILE~A 23 41.49 37.89 90.17 41.51 39.29 90.59 41.50 38.59 90.38 3 0 1000.00 -999 ? >ARG~A 24 42.64 33.42 83.84 40.72 31.06 84.24 41.68 32.24 84.04 2 0 1000.00 -999 ? >ASP~A 25 37.35 35.63 84.14 37.96 33.64 83.52 37.66 34.63 83.83 2 0 1000.00 -999 ? >SER~A 26 37.47 40.14 85.32 38.28 40.53 87.60 37.87 40.33 86.46 2 0 1000.00 -999 ? >ALA~A 27 40.86 41.52 84.24 42.22 41.01 84.67 41.54 41.27 84.45 2 0 1000.00 -999 ? >ILE~A 28 39.98 38.65 80.37 40.29 37.43 79.74 40.14 38.04 80.05 3 0 1000.00 -999 ? >GLN~A 29 34.26 41.33 81.50 33.47 43.29 81.23 33.87 42.31 81.37 2 0 1000.00 -999 ? >ARG~A 30 38.28 45.22 85.74 37.14 45.94 88.49 37.71 45.58 87.11 2 0 1000.00 -999 ? >PHE~A 31 42.28 43.70 77.40 43.27 43.76 74.78 42.77 43.73 76.09 3 0 1000.00 -999 ? >GLU~A 32 37.09 41.99 76.43 35.46 40.66 76.62 36.27 41.32 76.52 2 0 1000.00 -999 ? >PHE~A 33 35.22 47.86 79.96 36.00 47.94 82.65 35.61 47.90 81.31 3 0 1000.00 -999 ? >THR~A 34 39.02 49.60 78.11 40.43 49.85 79.74 39.72 49.73 78.93 2 0 1000.00 -999 ? >PHE~A 35 41.24 47.33 72.69 42.32 47.51 70.11 41.78 47.42 71.40 3 0 1000.00 -999 ? >GLU~A 36 34.33 49.11 73.00 34.35 48.62 70.94 34.34 48.87 71.97 2 0 1000.00 -999 ? >LEU~A 37 36.78 52.95 76.37 35.38 54.18 77.45 36.08 53.56 76.91 3 0 1000.00 -999 ? >ALA~A 38 40.53 53.42 73.88 41.70 52.52 74.22 41.12 52.97 74.05 2 0 1000.00 -999 ? >TRP~A 39 37.76 50.54 69.79 36.16 51.86 66.46 36.96 51.20 68.12 3 0 1000.00 -999 ? >LYS~A 40 36.83 55.02 70.26 31.94 52.34 70.13 34.38 53.68 70.19 2 0 1000.00 -999 ? >THR~A 41 38.90 57.69 72.00 39.47 57.96 74.06 39.19 57.82 73.03 2 0 1000.00 -999 ? >LEU~A 42 42.33 56.31 68.80 44.10 55.54 69.80 43.22 55.92 69.30 3 0 1000.00 -999 ? >LYS~A 43 38.76 57.85 66.61 33.94 57.33 63.85 36.35 57.59 65.23 2 0 1000.00 -999 ? >THR~A 44 37.37 61.00 68.23 36.02 61.39 69.87 36.70 61.20 69.05 2 0 1000.00 -999 ? >PHE~A 45 43.25 62.78 69.25 45.46 64.50 69.13 44.35 63.64 69.18 3 0 1000.00 -999 ? >LEU~A 46 41.94 60.32 64.23 43.74 59.11 64.30 42.84 59.72 64.27 3 0 1000.00 -999 ? >GLU~A 47 36.81 61.31 63.24 35.05 60.36 63.94 35.93 60.83 63.59 2 0 1000.00 -999 ? >LEU~A 48 39.46 66.50 67.03 38.86 68.18 68.24 39.16 67.34 67.63 3 0 1000.00 -999 ? >GLN~A 49 44.08 65.14 65.22 44.35 66.87 66.42 44.21 66.01 65.82 2 0 1000.00 -999 ? >GLY~A 50 40.71 66.32 60.36 41.05 65.63 60.68 40.88 65.98 60.52 1 0 1000.00 -999 ? >LEU.A 51 42.80 62.07 60.24 44.83 62.56 59.62 43.82 62.32 59.93 3 0 1000.00 -999 ? >GLU.A 52 39.34 58.98 56.98 38.30 59.15 55.13 38.82 59.07 56.06 2 0 1000.00 -999 ? >ALA.A 53 39.26 56.12 61.13 39.98 56.25 62.47 39.62 56.19 61.80 2 0 1000.00 -999 ? >ARG.A 54 34.59 54.61 57.23 35.64 57.02 55.67 35.12 55.82 56.45 2 0 1000.00 -999 ? >SER~A 55 38.09 50.77 62.32 39.77 50.01 60.76 38.93 50.39 61.54 2 0 1000.00 -999 ? >PRO~A 56 38.40 48.72 66.14 39.67 50.07 64.91 39.03 49.39 65.52 3 0 1000.00 -999 ? >ARG~A 57 45.09 46.96 61.51 45.13 44.04 62.44 45.11 45.50 61.97 2 0 1000.00 -999 ? >ALA~A 58 42.73 52.49 61.29 41.54 52.90 60.42 42.14 52.70 60.85 2 0 1000.00 -999 ? >ALA~A 59 42.39 54.41 64.57 41.36 54.15 65.65 41.87 54.28 65.11 2 0 1000.00 -999 ? >ILE~A 60 45.92 51.42 66.15 46.28 50.35 67.05 46.10 50.89 66.60 3 0 1000.00 -999 ? >ARG~A 61 47.33 50.69 60.07 47.12 47.92 58.75 47.23 49.30 59.41 2 0 1000.00 -999 ? >GLY~A 62 46.30 57.06 62.56 46.69 56.66 63.21 46.49 56.86 62.88 1 0 1000.00 -999 ? >ALA~A 63 47.40 57.60 66.15 46.97 56.75 67.34 47.18 57.17 66.75 2 0 1000.00 -999 ? >PHE~A 64 51.22 54.09 65.23 51.10 51.75 66.78 51.16 52.92 66.00 3 0 1000.00 -999 ? >GLN~A 65 49.64 60.10 60.08 47.92 60.11 58.82 48.78 60.10 59.45 2 0 1000.00 -999 ? >VAL~A 66 49.75 61.97 64.16 47.60 61.85 64.45 48.67 61.91 64.30 3 0 1000.00 -999 ? >GLY.A 67 52.08 61.16 67.05 51.28 61.05 67.14 51.68 61.10 67.09 1 0 1000.00 -999 ? >LEU.A 68 47.81 60.58 69.16 46.81 60.44 71.07 47.31 60.51 70.11 3 0 1000.00 -999 ? >LEU.A 69 50.08 56.07 69.79 48.57 55.16 71.01 49.33 55.62 70.40 3 0 1000.00 -999 ? >PRO.A 70 54.56 56.06 72.29 53.98 56.22 70.13 54.27 56.14 71.21 3 0 1000.00 -999 ? >GLU.A 71 56.06 52.84 64.70 54.60 53.53 63.33 55.33 53.19 64.02 2 0 1000.00 -999 ? >ASP~A 72 54.13 50.87 70.46 54.29 49.29 71.87 54.21 50.08 71.16 2 0 1000.00 -999 ? >PRO~A 73 56.10 46.79 67.39 54.12 47.79 67.57 55.11 47.29 67.48 3 0 1000.00 -999 ? >PHE~A 74 52.14 45.38 73.01 50.68 43.95 74.93 51.41 44.67 73.97 3 0 1000.00 -999 ? >TRP~A 75 50.06 51.11 71.32 46.49 51.76 72.86 48.27 51.44 72.09 3 0 1000.00 -999 ? >LEU~A 76 49.23 45.91 65.70 49.10 47.37 64.10 49.17 46.64 64.90 3 0 1000.00 -999 ? >GLU~A 77 51.29 42.15 68.99 52.84 41.25 70.13 52.07 41.70 69.56 2 0 1000.00 -999 ? >MET?A 78 46.38 44.25 71.59 48.06 47.51 73.90 47.22 45.88 72.75 2 0 1000.00 -999 ? >LEU~A 79 44.03 45.29 67.50 42.44 45.66 66.10 43.23 45.48 66.80 3 0 1000.00 -999 ? >GLU~A 80 46.10 40.99 66.36 47.74 40.03 65.40 46.92 40.51 65.88 2 0 1000.00 -999 ? >LEU~A 81 44.88 40.52 73.00 46.71 39.69 73.76 45.80 40.11 73.38 3 0 1000.00 -999 ? >ARG~A 82 38.13 43.49 71.88 35.23 43.48 72.83 36.68 43.49 72.36 2 0 1000.00 -999 ? >ASN~A 83 39.83 39.70 67.77 39.66 41.60 66.83 39.74 40.65 67.30 2 0 1000.00 -999 ? >LEU~A 84 41.91 36.28 71.35 43.36 35.40 70.02 42.63 35.84 70.69 3 0 1000.00 -999 ? >THR~A 85 38.63 37.40 74.33 38.53 39.55 74.58 38.58 38.48 74.45 2 0 1000.00 -999 ? >ASN~A 86 34.97 36.65 71.28 32.85 36.65 71.14 33.91 36.65 71.21 2 0 1000.00 -999 ? >HIS~A 87 37.13 32.65 70.04 36.14 33.23 68.29 36.63 32.94 69.16 3 0 1000.00 -999 ? >THR~A 88 37.98 32.37 76.19 38.03 34.36 77.04 38.01 33.37 76.61 2 0 1000.00 -999 ? >TYR.A 89 34.85 28.87 74.58 35.11 29.22 71.84 34.98 29.05 73.21 3 0 1000.00 -999 ? >ASP~A 90 39.93 27.97 74.80 41.87 27.13 74.65 40.90 27.55 74.73 2 0 1000.00 -999 ? >GLU~A 91 39.95 28.31 81.76 39.68 27.11 83.47 39.81 27.71 82.62 2 0 1000.00 -999 ? >ALA~A 92 44.55 28.11 77.94 44.98 27.00 77.00 44.76 27.56 77.47 2 0 1000.00 -999 ? >LEU~A 93 42.63 31.18 74.73 42.62 32.66 73.16 42.62 31.92 73.94 3 0 1000.00 -999 ? >ALA~A 94 42.42 33.01 78.81 41.30 32.56 79.73 41.86 32.78 79.27 2 0 1000.00 -999 ? >GLU~A 95 45.47 30.32 82.04 45.65 31.23 83.94 45.56 30.78 82.99 2 0 1000.00 -999 ? >ARG~A 96 48.78 34.22 74.25 47.75 34.82 71.43 48.27 34.52 72.84 2 0 1000.00 -999 ? >ILE~A 97 44.04 36.94 77.09 42.89 37.44 76.34 43.46 37.19 76.71 3 0 1000.00 -999 ? >TYR~A 98 45.73 37.10 83.52 46.31 38.10 86.07 46.02 37.60 84.79 3 0 1000.00 -999 ? >ALA~A 99 49.66 37.34 80.86 50.47 36.12 80.49 50.06 36.73 80.68 2 0 1000.00 -999 ? >GLU~A 100 49.83 38.82 76.09 51.95 38.88 76.12 50.89 38.85 76.10 2 0 1000.00 -999 ? >LEU~A 101 46.37 42.23 81.21 44.52 41.58 80.29 45.44 41.90 80.75 3 0 1000.00 -999 ? >PRO~A 102 50.54 42.20 83.58 49.84 43.70 82.08 50.19 42.95 82.83 3 0 1000.00 -999 ? >LYS~A 103 51.77 45.25 79.06 54.78 43.44 75.56 53.28 44.35 77.31 2 0 1000.00 -999 ? >ALA~A 104 48.36 46.37 77.79 47.11 45.51 77.71 47.74 45.94 77.75 2 0 1000.00 -999 ? >LEU~A 105 48.04 48.05 82.35 47.38 49.20 84.06 47.71 48.62 83.20 3 0 1000.00 -999 ? >GLU~A 106 53.04 48.77 81.09 54.82 47.75 80.53 53.93 48.26 80.81 2 0 1000.00 -999 ? >ARG~A 107 51.86 49.11 75.58 54.58 47.69 75.34 53.22 48.40 75.46 2 0 1000.00 -999 ? >PHE~A 108 44.90 50.69 78.12 43.67 48.64 76.69 44.29 49.67 77.40 3 0 1000.00 -999 ? >GLN~A 109 48.43 53.66 83.08 49.45 52.24 84.30 48.94 52.95 83.69 2 0 1000.00 -999 ? >GLU~A 110 52.41 56.15 76.14 53.68 57.67 76.92 53.05 56.91 76.53 2 0 1000.00 -999 ? >LEU~A 111 46.66 55.99 75.42 45.12 56.50 74.00 45.89 56.25 74.71 3 0 1000.00 -999 ? >LEU~A 112 45.85 58.17 80.28 44.02 57.24 80.93 44.93 57.71 80.61 3 0 1000.00 -999 ? >ARG~A 113 52.26 58.90 80.95 54.04 60.56 79.06 53.15 59.73 80.00 2 0 1000.00 -999 ? >ARG~A 114 52.17 60.75 74.38 53.50 59.40 71.97 52.83 60.07 73.18 2 0 1000.00 -999 ? >LEU~A 115 44.64 61.79 75.85 43.65 60.52 74.42 44.15 61.16 75.13 3 0 1000.00 -999 ? >GLU~A 116 46.56 64.25 80.20 45.64 63.63 82.01 46.10 63.94 81.10 2 0 1000.00 -999 ? >GLU.A 117 50.76 65.99 76.96 52.32 64.80 76.16 51.54 65.39 76.56 2 0 1000.00 -999 ? >SER~B 3 17.00 57.57 54.99 15.17 57.15 53.46 16.08 57.36 54.23 2 0 1000.00 -999 ? >LEU~B 4 19.30 53.76 53.06 20.94 52.68 52.12 20.12 53.22 52.59 3 0 1000.00 -999 ? >ALA~B 5 16.00 55.18 50.34 14.55 54.88 50.71 15.28 55.03 50.52 2 0 1000.00 -999 ? >ARG~B 6 15.41 61.81 49.17 15.63 63.98 47.00 15.52 62.90 48.09 2 0 1000.00 -999 ? >ALA~B 7 19.86 58.79 49.46 20.82 58.10 50.41 20.34 58.44 49.93 2 0 1000.00 -999 ? >VAL~B 8 19.63 56.21 46.70 19.45 54.06 46.62 19.54 55.14 46.66 3 0 1000.00 -999 ? >GLU~B 9 14.76 59.81 45.17 12.93 60.21 46.20 13.84 60.01 45.68 2 0 1000.00 -999 ? >ARG~B 10 19.55 63.19 48.35 21.87 64.93 49.35 20.71 64.06 48.85 2 0 1000.00 -999 ? >LEU~B 11 22.65 57.96 44.04 24.49 57.04 43.34 23.57 57.50 43.69 3 0 1000.00 -999 ? >LYS~B 12 19.58 58.01 40.77 13.92 56.34 40.17 16.75 57.17 40.47 2 0 1000.00 -999 ? >ALA~B 13 18.39 61.53 39.97 17.85 62.55 40.97 18.12 62.04 40.47 2 0 1000.00 -999 ? >ALA~B 14 21.98 62.51 39.18 23.09 62.60 40.21 22.54 62.55 39.70 2 0 1000.00 -999 ? >LEU~B 15 23.02 58.07 37.53 24.77 57.46 38.64 23.90 57.77 38.09 3 0 1000.00 -999 ? >GLU~B 16 17.99 58.76 36.15 15.97 58.55 36.74 16.98 58.66 36.44 2 0 1000.00 -999 ? >ARG~B 17 19.48 66.26 35.52 17.66 65.02 33.37 18.57 65.64 34.44 2 0 1000.00 -999 ? >PRO.B 18 21.96 66.09 30.49 22.53 64.08 31.28 22.24 65.08 30.88 3 0 1000.00 -999 ? >LYS.B 19 26.75 63.80 31.66 31.36 61.26 33.22 29.06 62.53 32.44 2 0 1000.00 -999 ? >ASP~B 20 28.04 68.29 31.91 26.91 69.01 33.55 27.48 68.65 32.73 2 0 1000.00 -999 ? >GLU~B 21 32.37 69.93 34.44 34.13 71.05 34.22 33.25 70.49 34.33 2 0 1000.00 -999 ? >PHE~B 22 29.12 71.62 36.80 30.83 73.73 36.13 29.98 72.67 36.46 3 0 1000.00 -999 ? >ILE~B 23 25.78 65.89 35.82 24.43 65.85 36.33 25.10 65.87 36.08 3 0 1000.00 -999 ? >ARG~B 24 33.24 63.38 36.15 35.08 65.83 36.04 34.16 64.61 36.10 2 0 1000.00 -999 ? >ASP~B 25 31.66 66.73 40.63 33.45 66.72 39.45 32.55 66.72 40.04 2 0 1000.00 -999 ? >SER~B 26 27.42 65.63 42.10 25.64 65.76 40.44 26.53 65.70 41.27 2 0 1000.00 -999 ? >ALA~B 27 26.89 61.93 41.35 26.93 61.27 39.99 26.91 61.60 40.67 2 0 1000.00 -999 ? >ILE~B 28 31.65 61.67 42.58 33.01 61.48 42.15 32.33 61.57 42.36 3 0 1000.00 -999 ? >GLN~B 29 29.18 65.49 47.22 27.74 65.17 48.73 28.46 65.33 47.97 2 0 1000.00 -999 ? >ARG~B 30 23.28 63.20 44.10 21.16 65.33 43.47 22.22 64.27 43.78 2 0 1000.00 -999 ? >PHE~B 31 29.54 56.37 45.20 31.04 54.10 45.83 30.29 55.23 45.52 3 0 1000.00 -999 ? >GLU~B 32 31.80 60.43 48.28 32.70 62.32 48.49 32.25 61.37 48.38 2 0 1000.00 -999 ? >PHE~B 33 25.33 61.40 50.58 23.42 62.18 48.69 24.37 61.79 49.64 3 0 1000.00 -999 ? >THR~B 34 24.91 56.94 50.06 23.58 56.69 48.38 24.24 56.82 49.22 2 0 1000.00 -999 ? >PHE~B 35 29.91 53.20 50.29 31.47 51.04 51.15 30.69 52.12 50.72 3 0 1000.00 -999 ? >GLU~B 36 28.91 57.62 55.77 30.79 56.83 56.33 29.85 57.23 56.05 2 0 1000.00 -999 ? >LEU~B 37 23.47 56.41 54.43 21.36 56.29 54.86 22.41 56.35 54.65 3 0 1000.00 -999 ? >ALA~B 38 24.74 52.17 53.37 25.20 51.92 51.94 24.97 52.04 52.66 2 0 1000.00 -999 ? >TRP~B 39 29.72 53.07 55.76 31.03 51.93 59.28 30.37 52.50 57.52 3 0 1000.00 -999 ? >LYS~B 40 26.17 51.97 58.63 28.06 57.94 59.76 27.11 54.96 59.20 2 0 1000.00 -999 ? >THR~B 41 22.77 50.49 57.74 21.19 50.95 56.33 21.98 50.72 57.03 2 0 1000.00 -999 ? >LEU~B 42 25.50 46.66 56.49 25.35 45.94 54.46 25.43 46.30 55.47 3 0 1000.00 -999 ? >LYS~B 43 26.17 47.51 60.74 28.26 50.29 64.92 27.21 48.90 62.83 2 0 1000.00 -999 ? >THR~B 44 22.92 48.32 62.51 21.67 50.05 62.68 22.29 49.18 62.59 2 0 1000.00 -999 ? >PHE~B 45 20.48 43.67 59.10 19.04 41.34 58.49 19.76 42.51 58.80 3 0 1000.00 -999 ? >LEU~B 46 25.67 42.90 61.28 26.38 42.00 59.46 26.03 42.45 60.37 3 0 1000.00 -999 ? >GLU~B 47 26.06 45.89 65.35 26.56 47.89 65.90 26.31 46.89 65.62 2 0 1000.00 -999 ? >LEU~B 48 19.56 43.92 64.83 17.51 44.03 65.49 18.54 43.98 65.16 3 0 1000.00 -999 ? >GLN~B 49 21.22 40.12 61.94 19.12 39.90 62.07 20.17 40.01 62.01 2 0 1000.00 -999 ? >GLY.B 50 24.02 39.50 67.25 24.26 39.66 66.49 24.14 39.58 66.87 1 0 1000.00 -999 ? >LEU.B 51 27.03 39.64 63.64 26.83 37.61 62.91 26.93 38.62 63.28 3 0 1000.00 -999 ? >GLU.B 52 30.75 42.26 67.60 32.44 42.48 68.87 31.60 42.37 68.23 2 0 1000.00 -999 ? >ALA.B 53 30.56 45.13 62.42 29.33 45.61 61.65 29.94 45.37 62.04 2 0 1000.00 -999 ? >ARG.B 54 34.47 43.98 63.01 33.49 41.12 62.46 33.98 42.55 62.73 2 0 1000.00 -999 ? >SER~B 55 34.57 48.52 59.88 36.24 46.95 59.09 35.40 47.74 59.48 2 0 1000.00 -999 ? >PRO~B 56 33.74 51.28 56.62 33.35 49.15 57.07 33.55 50.21 56.85 3 0 1000.00 -999 ? >ARG~B 57 38.08 44.20 54.27 39.41 45.99 52.15 38.75 45.09 53.21 2 0 1000.00 -999 ? >ALA~B 58 33.44 44.02 58.19 33.70 44.40 59.65 33.57 44.21 58.92 2 0 1000.00 -999 ? >ALA~B 59 29.84 45.11 57.64 29.36 46.56 57.69 29.60 45.83 57.66 2 0 1000.00 -999 ? >ILE~B 60 30.97 44.78 52.88 31.25 45.41 51.63 31.11 45.09 52.25 3 0 1000.00 -999 ? >ARG~B 61 33.88 39.29 53.35 35.90 39.91 51.11 34.89 39.60 52.23 2 0 1000.00 -999 ? >GLY~B 62 28.97 40.29 57.43 28.82 40.49 56.64 28.90 40.39 57.03 1 0 1000.00 -999 ? >ALA~B 63 26.08 41.02 55.10 25.89 42.29 54.28 25.99 41.66 54.69 2 0 1000.00 -999 ? >PHE~B 64 29.31 39.30 51.32 30.00 41.28 49.46 29.65 40.29 50.39 3 0 1000.00 -999 ? >GLN~B 65 29.09 36.68 57.16 30.31 36.36 58.88 29.70 36.52 58.02 2 0 1000.00 -999 ? >VAL~B 66 24.45 36.44 57.04 23.53 37.98 58.27 23.99 37.21 57.66 3 0 1000.00 -999 ? >GLY.B 67 22.72 36.29 53.67 22.82 36.97 54.09 22.77 36.63 53.88 1 0 1000.00 -999 ? >LEU.B 68 22.28 41.05 54.64 21.36 43.00 54.80 21.82 42.02 54.72 3 0 1000.00 -999 ? >LEU.B 69 24.90 41.77 50.61 24.83 43.92 50.55 24.86 42.85 50.58 3 0 1000.00 -999 ? >PRO.B 70 23.91 39.94 46.24 24.31 38.87 48.15 24.11 39.40 47.20 3 0 1000.00 -999 ? >GLU.B 71 29.60 35.68 48.88 31.49 36.65 48.84 30.55 36.17 48.86 2 0 1000.00 -999 ? >ASP.B 72 28.06 41.12 44.75 28.41 42.17 42.94 28.23 41.64 43.85 2 0 1000.00 -999 ? >PRO~B 73 33.08 39.09 43.70 32.22 40.79 44.86 32.65 39.94 44.28 3 0 1000.00 -999 ? >PHE~B 74 30.67 46.07 41.92 30.85 48.68 40.92 30.76 47.37 41.42 3 0 1000.00 -999 ? >TRP~B 75 27.66 44.24 47.34 26.37 47.60 48.94 27.01 45.92 48.14 3 0 1000.00 -999 ? >LEU~B 76 35.40 44.37 48.07 34.65 43.37 49.85 35.03 43.87 48.96 3 0 1000.00 -999 ? >GLU~B 77 34.89 48.20 42.35 35.87 47.78 40.51 35.38 47.99 41.43 2 0 1000.00 -999 ? >MET?B 78 32.68 50.12 45.77 28.67 48.79 45.26 30.68 49.46 45.52 2 0 1000.00 -999 ? >LEU~B 79 34.83 49.21 50.02 35.67 49.57 51.99 35.25 49.39 51.00 3 0 1000.00 -999 ? >GLU~B 80 39.51 49.43 47.58 40.34 50.46 49.27 39.92 49.94 48.43 2 0 1000.00 -999 ? >LEU~B 81 34.88 53.53 44.22 35.11 52.63 42.26 34.99 53.08 43.24 3 0 1000.00 -999 ? >ARG~B 82 32.60 56.58 50.21 33.58 58.73 52.16 33.09 57.65 51.18 2 0 1000.00 -999 ? >ASN~B 83 38.94 54.61 50.29 37.95 53.42 51.77 38.45 54.01 51.03 2 0 1000.00 -999 ? >LEU~B 84 39.67 56.59 45.26 41.26 55.17 44.91 40.46 55.88 45.08 3 0 1000.00 -999 ? >THR~B 85 36.68 60.03 46.34 34.93 59.28 47.38 35.80 59.66 46.86 2 0 1000.00 -999 ? >ASN~B 86 38.80 63.05 49.46 39.94 61.50 50.37 39.37 62.28 49.92 2 0 1000.00 -999 ? >HIS~B 87 42.95 60.60 46.83 43.85 60.22 48.69 43.40 60.41 47.76 3 0 1000.00 -999 ? >THR~B 88 39.35 63.39 42.73 37.29 62.92 43.22 38.32 63.15 42.97 2 0 1000.00 -999 ? >TYR.B 89 43.36 66.20 43.87 44.81 64.46 45.50 44.08 65.33 44.69 3 0 1000.00 -999 ? >ASP~B 90 43.30 62.61 39.99 43.90 61.44 38.31 43.60 62.02 39.15 2 0 1000.00 -999 ? >GLU~B 91 39.08 66.72 36.62 39.28 68.43 35.40 39.18 67.58 36.01 2 0 1000.00 -999 ? >ALA~B 92 40.79 61.05 35.33 42.17 60.62 34.90 41.48 60.83 35.12 2 0 1000.00 -999 ? >LEU~B 93 40.67 59.61 39.97 40.70 58.34 41.73 40.68 58.97 40.85 3 0 1000.00 -999 ? >ALA~B 94 36.70 61.22 38.92 36.59 62.74 38.77 36.65 61.98 38.84 2 0 1000.00 -999 ? >GLU~B 95 36.43 61.60 33.65 34.51 62.10 32.93 35.47 61.85 33.29 2 0 1000.00 -999 ? >ARG~B 96 39.58 54.13 37.63 40.77 53.13 40.25 40.18 53.63 38.94 2 0 1000.00 -999 ? >ILE~B 97 34.73 57.42 40.77 35.04 57.73 42.15 34.89 57.57 41.46 3 0 1000.00 -999 ? >TYR~B 98 30.31 59.50 36.27 27.90 60.06 34.99 29.10 59.78 35.63 3 0 1000.00 -999 ? >ALA~B 99 31.75 55.14 35.11 33.00 54.78 34.31 32.37 54.96 34.71 2 0 1000.00 -999 ? >GLU~B 100 33.53 51.94 38.22 33.42 50.11 37.15 33.47 51.03 37.69 2 0 1000.00 -999 ? >LEU~B 101 27.97 55.97 39.66 29.24 57.00 41.07 28.60 56.49 40.37 3 0 1000.00 -999 ? >PRO~B 102 26.17 54.17 35.70 25.99 53.25 37.73 26.08 53.71 36.71 3 0 1000.00 -999 ? >LYS~B 103 26.57 49.51 38.76 31.08 47.88 36.49 28.82 48.70 37.62 2 0 1000.00 -999 ? >ALA~B 104 26.85 50.79 42.33 27.64 52.01 42.76 27.24 51.40 42.55 2 0 1000.00 -999 ? >LEU~B 105 22.73 52.97 41.06 20.84 54.01 41.19 21.78 53.49 41.12 3 0 1000.00 -999 ? >GLU~B 106 22.17 48.10 38.73 23.33 47.21 37.17 22.75 47.65 37.95 2 0 1000.00 -999 ? >ARG~B 107 25.83 46.11 42.62 26.95 44.70 40.14 26.39 45.40 41.38 2 0 1000.00 -999 ? >PHE~B 108 23.72 51.96 46.75 26.29 52.91 47.37 25.00 52.43 47.06 3 0 1000.00 -999 ? >GLN~B 109 18.36 50.99 43.29 18.10 51.33 41.22 18.23 51.16 42.25 2 0 1000.00 -999 ? >GLU~B 110 20.73 43.45 45.53 19.22 42.19 44.77 19.97 42.82 45.15 2 0 1000.00 -999 ? >LEU~B 111 21.32 47.23 49.80 22.30 47.17 51.73 21.81 47.20 50.76 3 0 1000.00 -999 ? >LEU~B 112 16.61 49.52 48.98 16.62 51.57 49.64 16.61 50.54 49.31 3 0 1000.00 -999 ? >ARG~B 113 14.08 45.38 44.75 16.61 45.68 43.05 15.35 45.53 43.90 2 0 1000.00 -999 ? >ARG~B 114 19.55 41.08 48.50 20.86 38.33 48.25 20.21 39.70 48.37 2 0 1000.00 -999 ? >LEU~B 115 16.59 46.25 53.87 18.46 46.94 54.69 17.52 46.60 54.28 3 0 1000.00 -999 ? >GLU.B 116 11.33 42.05 53.64 12.87 40.65 53.30 12.10 41.35 53.47 2 0 1000.00 -999 ? >ALA.C 2 48.24 67.67 41.42 47.53 67.03 42.59 47.88 67.35 42.00 2 0 1000.00 -999 ? >SER~C 3 47.56 71.39 40.82 47.07 73.36 39.44 47.31 72.37 40.13 2 0 1000.00 -999 ? >LEU~C 4 46.55 73.70 45.00 45.56 74.21 46.87 46.05 73.96 45.93 3 0 1000.00 -999 ? >ALA~C 5 45.23 75.98 41.31 46.29 76.59 40.40 45.76 76.28 40.85 2 0 1000.00 -999 ? >ARG~C 6 41.72 72.69 36.51 38.98 72.47 35.11 40.35 72.58 35.81 2 0 1000.00 -999 ? >ALA~C 7 41.24 72.49 42.09 41.87 71.87 43.30 41.55 72.18 42.69 2 0 1000.00 -999 ? >VAL~C 8 40.39 76.00 43.28 41.46 77.59 44.34 40.92 76.79 43.81 3 0 1000.00 -999 ? >GLU~C 9 39.62 76.96 37.15 40.92 76.89 35.48 40.27 76.92 36.31 2 0 1000.00 -999 ? >ARG~C 10 37.37 70.37 38.54 37.74 67.55 39.64 37.56 68.96 39.09 2 0 1000.00 -999 ? >LEU~C 11 36.20 75.22 44.25 35.11 75.33 46.11 35.65 75.28 45.18 3 0 1000.00 -999 ? >LYS~C 12 35.22 78.61 41.53 36.03 83.42 39.10 35.63 81.01 40.32 2 0 1000.00 -999 ? >ALA~C 13 33.42 77.47 38.34 34.02 76.50 37.32 33.72 76.99 37.83 2 0 1000.00 -999 ? >ALA~C 14 30.80 75.53 40.33 31.11 74.36 41.24 30.96 74.94 40.78 2 0 1000.00 -999 ? >LEU~C 15 31.03 78.98 43.69 31.31 78.04 45.61 31.17 78.51 44.65 3 0 1000.00 -999 ? >GLU~C 16 31.34 82.41 38.78 33.03 82.77 37.56 32.18 82.59 38.17 2 0 1000.00 -999 ? >ARG~C 17 27.95 76.06 35.73 28.33 77.52 33.07 28.14 76.79 34.40 2 0 1000.00 -999 ? >PRO.C 18 22.75 79.89 36.87 23.67 79.13 38.76 23.21 79.51 37.82 3 0 1000.00 -999 ? >LYS.C 19 22.26 76.97 42.10 20.54 76.51 48.11 21.40 76.74 45.11 2 0 1000.00 -999 ? >ASP~C 20 19.83 73.47 40.45 21.26 72.38 39.32 20.54 72.93 39.89 2 0 1000.00 -999 ? >GLU~C 21 19.06 68.78 42.60 17.68 67.22 42.90 18.37 68.00 42.75 2 0 1000.00 -999 ? >PHE~C 22 21.75 68.01 39.65 19.42 66.47 39.53 20.59 67.24 39.59 3 0 1000.00 -999 ? >ILE~C 23 24.99 73.74 40.69 25.39 73.79 39.92 25.19 73.77 40.30 3 0 1000.00 -999 ? >ARG~C 24 22.83 72.04 48.03 20.81 69.75 47.94 21.82 70.90 47.99 2 0 1000.00 -999 ? >ASP~C 25 25.65 67.58 45.29 23.86 67.59 46.49 24.76 67.59 45.89 2 0 1000.00 -999 ? >SER~C 26 29.15 69.25 42.77 28.67 70.99 41.11 28.91 70.12 41.94 2 0 1000.00 -999 ? >ALA~C 27 30.46 72.32 44.65 29.67 73.60 44.91 30.07 72.96 44.78 2 0 1000.00 -999 ? >ILE~C 28 29.30 69.64 48.56 28.38 69.48 49.66 28.84 69.56 49.11 3 0 1000.00 -999 ? >GLN~C 29 32.42 65.26 44.88 34.45 65.01 44.27 33.43 65.14 44.57 2 0 1000.00 -999 ? >ARG~C 30 33.54 71.32 41.42 33.48 71.30 38.36 33.51 71.31 39.89 2 0 1000.00 -999 ? >PHE~C 31 34.62 72.32 50.66 35.51 72.59 53.29 35.06 72.46 51.98 3 0 1000.00 -999 ? >GLU~C 32 35.30 65.73 49.98 33.51 64.69 50.48 34.41 65.21 50.23 2 0 1000.00 -999 ? >PHE~C 33 38.50 67.68 44.69 37.60 69.25 42.52 38.05 68.46 43.60 3 0 1000.00 -999 ? >THR~C 34 40.25 71.00 47.24 39.69 72.76 46.14 39.97 71.88 46.69 2 0 1000.00 -999 ? >PHE~C 35 39.80 70.94 53.46 40.67 71.29 56.10 40.23 71.11 54.78 3 0 1000.00 -999 ? >GLU~C 36 42.76 65.14 50.04 43.05 64.26 51.95 42.90 64.70 51.00 2 0 1000.00 -999 ? >LEU~C 37 44.47 69.20 46.82 45.94 69.02 45.22 45.21 69.11 46.02 3 0 1000.00 -999 ? >ALA~C 38 45.21 72.12 50.14 44.09 73.10 50.47 44.65 72.61 50.31 2 0 1000.00 -999 ? >TRP~C 39 44.28 67.77 53.94 47.12 65.94 55.95 45.70 66.86 54.95 3 0 1000.00 -999 ? >LYS~C 40 48.52 68.15 51.81 48.14 62.45 52.51 48.33 65.30 52.16 2 0 1000.00 -999 ? >THR~C 41 50.00 71.07 49.93 49.45 72.18 48.16 49.73 71.62 49.04 2 0 1000.00 -999 ? >LEU~C 42 49.38 73.44 54.17 48.37 75.34 54.45 48.88 74.39 54.31 3 0 1000.00 -999 ? >LYS~C 43 52.02 69.89 54.62 53.28 64.92 56.37 52.65 67.40 55.49 2 0 1000.00 -999 ? >THR~C 44 54.64 69.77 51.89 54.58 69.05 49.86 54.61 69.41 50.87 2 0 1000.00 -999 ? >PHE~C 45 54.99 75.94 52.31 55.88 78.58 52.62 55.44 77.26 52.46 3 0 1000.00 -999 ? >LEU~C 46 54.64 72.94 57.14 52.92 74.25 57.18 53.78 73.60 57.16 3 0 1000.00 -999 ? >GLU~C 47 56.22 68.47 56.58 55.54 66.48 56.46 55.88 67.48 56.52 2 0 1000.00 -999 ? >LEU~C 48 60.16 72.50 52.39 60.77 71.52 50.58 60.47 72.01 51.48 3 0 1000.00 -999 ? >GLN.C 49 59.43 76.28 55.65 58.28 77.94 56.29 58.85 77.11 55.97 2 0 1000.00 -999 ? >GLY.C 50 61.31 71.61 59.09 60.61 71.90 59.02 60.96 71.76 59.06 1 0 1000.00 -999 ? >LEU.C 51 56.93 72.69 60.76 57.15 74.67 61.60 57.04 73.68 61.18 3 0 1000.00 -999 ? >GLU.C 52 56.76 67.49 63.56 57.49 65.64 62.86 57.12 66.57 63.21 2 0 1000.00 -999 ? >ALA.C 53 52.26 68.68 59.69 52.35 69.59 58.47 52.31 69.14 59.08 2 0 1000.00 -999 ? >ARG.C 54 53.26 63.43 62.29 55.83 62.29 63.48 54.54 62.86 62.88 2 0 1000.00 -999 ? >SER~C 55 47.05 66.33 60.00 46.58 67.10 62.26 46.82 66.71 61.13 2 0 1000.00 -999 ? >PRO~C 56 43.55 67.39 57.57 45.13 68.44 58.74 44.34 67.91 58.15 3 0 1000.00 -999 ? >ARG~C 57 43.35 70.38 65.59 40.58 71.70 65.61 41.96 71.04 65.60 2 0 1000.00 -999 ? >ALA~C 58 48.46 70.74 62.56 49.33 69.53 62.89 48.90 70.14 62.72 2 0 1000.00 -999 ? >ALA~C 59 49.02 71.90 58.98 48.47 71.25 57.72 48.74 71.58 58.35 2 0 1000.00 -999 ? >ILE~C 60 45.14 74.65 59.81 43.75 74.93 59.48 44.44 74.79 59.64 3 0 1000.00 -999 ? >ARG~C 61 49.72 74.25 66.19 49.69 71.17 66.13 49.71 72.71 66.16 2 0 1000.00 -999 ? >GLY~C 62 51.70 75.42 61.28 51.03 75.86 61.03 51.37 75.64 61.16 1 0 1000.00 -999 ? >ALA~C 63 50.60 77.70 58.47 49.39 77.50 57.56 50.00 77.60 58.02 2 0 1000.00 -999 ? >PHE~C 64 47.18 80.13 61.51 44.57 80.03 60.47 45.88 80.08 60.99 3 0 1000.00 -999 ? >GLN~C 65 52.75 77.93 64.60 53.87 76.28 65.38 53.31 77.10 64.99 2 0 1000.00 -999 ? >VAL~C 66 55.34 80.53 60.08 55.49 78.66 58.99 55.42 79.59 59.54 3 0 1000.00 -999 ? >GLY.C 67 53.11 83.31 58.82 53.10 82.63 58.46 53.10 82.97 58.64 1 0 1000.00 -999 ? >LEU.C 68 52.20 80.18 55.20 52.04 79.30 53.24 52.12 79.74 54.22 3 0 1000.00 -999 ? >LEU.C 69 47.55 81.07 56.46 46.66 80.09 54.76 47.11 80.58 55.61 3 0 1000.00 -999 ? >PRO.C 70 45.65 85.50 56.76 47.26 84.61 58.00 46.45 85.06 57.38 3 0 1000.00 -999 ? >GLU.C 71 46.92 84.57 63.82 46.95 82.52 64.32 46.93 83.54 64.07 2 0 1000.00 -999 ? >ASP.C 72 41.91 83.16 59.20 39.95 83.33 58.45 40.93 83.24 58.83 2 0 1000.00 -999 ? >PRO~C 73 38.46 83.06 63.19 39.92 81.53 62.48 39.19 82.29 62.83 3 0 1000.00 -999 ? >PHE~C 74 36.19 80.49 57.52 34.26 79.40 55.82 35.22 79.95 56.67 3 0 1000.00 -999 ? >TRP~C 75 42.46 79.78 57.14 42.90 77.42 54.01 42.68 78.60 55.58 3 0 1000.00 -999 ? >LEU~C 76 39.72 75.50 62.96 41.68 75.11 63.82 40.70 75.30 63.39 3 0 1000.00 -999 ? >GLU~C 77 34.87 77.77 61.96 33.67 79.51 61.93 34.27 78.64 61.94 2 0 1000.00 -999 ? >MET?C 78 36.52 74.61 57.14 38.44 77.63 54.80 37.48 76.12 55.97 2 0 1000.00 -999 ? >LEU~C 79 39.24 71.59 59.84 39.99 69.91 61.01 39.62 70.75 60.42 3 0 1000.00 -999 ? >GLU~C 80 33.14 70.97 62.30 33.33 68.87 62.60 33.23 69.92 62.45 2 0 1000.00 -999 ? >LEU~C 81 32.95 72.74 56.48 31.77 74.54 56.71 32.36 73.64 56.59 3 0 1000.00 -999 ? >ARG~C 82 37.31 66.47 54.90 40.35 66.00 54.63 38.83 66.23 54.77 2 0 1000.00 -999 ? >ASN~C 83 34.45 66.40 59.90 36.48 66.35 60.58 35.47 66.37 60.24 2 0 1000.00 -999 ? >LEU~C 84 29.93 68.41 58.03 29.38 69.22 59.96 29.66 68.81 59.00 3 0 1000.00 -999 ? >THR~C 85 30.56 66.48 53.99 32.42 67.11 53.08 31.49 66.79 53.54 2 0 1000.00 -999 ? >ASN~C 86 31.51 62.11 55.89 33.54 62.36 55.29 32.53 62.24 55.59 2 0 1000.00 -999 ? >HIS~C 87 27.95 62.83 58.78 29.32 61.67 59.87 28.64 62.25 59.32 3 0 1000.00 -999 ? >THR~C 88 25.32 65.02 53.63 26.87 65.86 52.38 26.09 65.44 53.01 2 0 1000.00 -999 ? >TYR.C 89 23.53 60.59 55.21 24.75 60.14 57.68 24.14 60.36 56.45 3 0 1000.00 -999 ? >ASP~C 90 21.54 65.23 56.80 20.64 66.98 57.60 21.09 66.10 57.20 2 0 1000.00 -999 ? >GLU~C 91 19.31 67.25 50.40 17.71 67.48 49.04 18.51 67.36 49.72 2 0 1000.00 -999 ? >ALA~C 92 19.95 70.27 55.38 19.23 70.17 56.73 19.59 70.22 56.05 2 0 1000.00 -999 ? >LEU~C 93 24.33 68.57 56.57 26.18 68.75 57.68 25.25 68.66 57.12 3 0 1000.00 -999 ? >ALA~C 94 24.40 70.09 52.30 23.71 69.29 51.19 24.05 69.69 51.75 2 0 1000.00 -999 ? >GLU~C 95 20.26 73.17 51.63 20.32 73.94 49.66 20.29 73.55 50.64 2 0 1000.00 -999 ? >ARG~C 96 23.82 73.36 58.91 20.83 72.97 59.51 22.32 73.16 59.21 2 0 1000.00 -999 ? >ILE~C 97 28.34 72.09 53.49 29.11 70.93 53.59 28.73 71.51 53.54 3 0 1000.00 -999 ? >TYR~C 98 25.86 75.51 48.35 25.62 76.96 45.97 25.74 76.24 47.16 3 0 1000.00 -999 ? >ALA~C 99 26.39 78.41 52.03 25.34 78.64 53.11 25.87 78.53 52.57 2 0 1000.00 -999 ? >GLU~C 100 29.40 77.58 55.87 29.62 79.41 56.92 29.51 78.50 56.40 2 0 1000.00 -999 ? >LEU~C 101 31.16 76.65 49.15 31.28 74.52 49.55 31.22 75.59 49.35 3 0 1000.00 -999 ? >PRO~C 102 29.65 81.13 48.54 31.69 80.50 49.10 30.67 80.82 48.82 3 0 1000.00 -999 ? >LYS~C 103 33.95 82.11 51.91 30.71 82.17 56.71 32.33 82.14 54.31 2 0 1000.00 -999 ? >ALA~C 104 35.95 78.88 51.71 35.35 77.50 51.65 35.65 78.19 51.68 2 0 1000.00 -999 ? >LEU~C 105 35.97 80.04 46.99 36.50 79.96 44.90 36.23 80.00 45.94 3 0 1000.00 -999 ? >GLU~C 106 36.81 84.98 49.34 35.64 86.27 50.55 36.23 85.62 49.94 2 0 1000.00 -999 ? >ARG~C 107 38.54 82.13 53.81 38.49 84.15 56.08 38.51 83.14 54.95 2 0 1000.00 -999 ? >PHE~C 108 40.39 76.69 49.24 39.48 74.46 50.65 39.94 75.57 49.94 3 0 1000.00 -999 ? >GLN~C 109 40.53 82.15 45.29 38.85 83.38 44.83 39.69 82.77 45.06 2 0 1000.00 -999 ? >GLU~C 110 44.98 84.60 51.89 45.80 86.36 51.06 45.39 85.48 51.48 2 0 1000.00 -999 ? >LEU~C 111 45.92 79.05 50.51 47.07 77.43 51.33 46.49 78.24 50.92 3 0 1000.00 -999 ? >LEU~C 112 46.35 80.21 45.40 45.88 78.59 44.08 46.11 79.40 44.74 3 0 1000.00 -999 ? >ARG~C 113 47.31 87.53 46.81 49.45 88.21 48.92 48.38 87.87 47.86 2 0 1000.00 -999 ? >ARG~C 114 49.14 84.79 52.51 51.04 86.24 54.40 50.09 85.51 53.45 2 0 1000.00 -999 ? >LEU~C 115 51.17 78.80 48.04 51.03 77.06 49.30 51.10 77.93 48.67 3 0 1000.00 -999 ? >GLU~C 116 52.96 83.15 43.23 53.62 81.42 42.22 53.29 82.29 42.73 2 0 1000.00 -999 ? >SER~D 3 32.67 22.11 75.50 32.67 20.92 77.62 32.67 21.51 76.56 2 0 1000.00 -999 ? >LEU~D 4 28.22 23.99 75.37 26.66 25.47 75.33 27.44 24.73 75.35 3 0 1000.00 -999 ? >ALA~D 5 29.08 22.17 79.40 29.07 20.66 79.53 29.07 21.42 79.46 2 0 1000.00 -999 ? >ARG~D 6 34.98 23.10 82.41 37.22 25.05 83.26 36.10 24.08 82.84 2 0 1000.00 -999 ? >ALA~D 7 31.71 26.93 79.85 31.28 27.41 78.47 31.50 27.17 79.16 2 0 1000.00 -999 ? >VAL~D 8 28.35 26.77 81.63 26.36 26.09 81.05 27.35 26.43 81.34 3 0 1000.00 -999 ? >GLU~D 9 31.97 24.04 85.81 33.10 22.25 85.81 32.53 23.14 85.81 2 0 1000.00 -999 ? >ARG~D 10 35.86 28.51 83.39 37.04 30.44 81.33 36.45 29.47 82.36 2 0 1000.00 -999 ? >LEU~D 11 28.50 30.81 83.46 27.11 32.45 83.70 27.81 31.63 83.58 3 0 1000.00 -999 ? >LYS~D 12 27.76 28.87 87.38 26.42 25.18 90.96 27.09 27.03 89.17 2 0 1000.00 -999 ? >ALA~D 13 30.88 29.03 89.57 32.26 28.47 89.24 31.57 28.75 89.40 2 0 1000.00 -999 ? >ALA~D 14 31.16 32.81 89.21 31.33 33.58 87.90 31.25 33.20 88.55 2 0 1000.00 -999 ? >LEU~D 15 26.30 32.85 89.19 25.66 33.99 87.48 25.98 33.42 88.34 3 0 1000.00 -999 ? >GLU~D 16 28.28 28.71 94.06 26.34 28.03 93.68 27.31 28.37 93.87 2 0 1000.00 -999 ? >ARG~D 17 33.74 32.42 94.79 31.97 30.76 96.66 32.85 31.59 95.73 2 0 1000.00 -999 ? >PRO.D 18 31.36 35.85 98.21 29.81 35.89 96.61 30.58 35.87 97.41 3 0 1000.00 -999 ? >LYS.D 19 29.09 39.57 94.70 25.35 44.16 92.79 27.22 41.87 93.74 2 0 1000.00 -999 ? >ASP~D 20 33.20 41.83 95.33 34.59 40.55 94.40 33.89 41.19 94.86 2 0 1000.00 -999 ? >GLU~D 21 34.76 45.70 92.15 35.45 47.67 91.79 35.10 46.69 91.97 2 0 1000.00 -999 ? >PHE~D 22 37.56 42.24 91.57 38.98 44.58 92.18 38.27 43.41 91.88 3 0 1000.00 -999 ? >ILE~D 23 32.38 37.97 91.93 32.88 36.63 92.10 32.63 37.30 92.01 3 0 1000.00 -999 ? >ARG~D 24 29.16 44.06 88.34 31.09 46.41 88.61 30.12 45.24 88.47 2 0 1000.00 -999 ? >ASP~D 25 34.10 42.28 86.05 33.51 44.35 86.22 33.81 43.31 86.13 2 0 1000.00 -999 ? >SER~D 26 34.17 37.72 85.86 34.01 36.47 87.96 34.10 37.09 86.91 2 0 1000.00 -999 ? >ALA~D 27 30.58 36.47 85.64 29.47 36.71 86.66 30.02 36.59 86.15 2 0 1000.00 -999 ? >ILE~D 28 30.02 40.39 82.78 29.42 41.70 82.60 29.72 41.04 82.69 3 0 1000.00 -999 ? >GLN~D 29 35.61 37.98 80.39 36.06 36.20 79.32 35.83 37.09 79.86 2 0 1000.00 -999 ? >ARG~D 30 33.31 32.75 84.67 35.28 31.36 86.54 34.30 32.06 85.61 2 0 1000.00 -999 ? >PHE~D 31 26.47 36.30 79.68 24.47 37.08 77.90 25.47 36.69 78.79 3 0 1000.00 -999 ? >GLU~D 32 30.87 38.80 77.49 32.49 40.18 77.58 31.68 39.49 77.54 2 0 1000.00 -999 ? >PHE~D 33 33.60 32.23 77.75 33.88 31.00 80.26 33.74 31.61 79.00 3 0 1000.00 -999 ? >THR~D 34 29.33 30.93 76.96 28.71 30.02 78.84 29.02 30.48 77.90 2 0 1000.00 -999 ? >PHE~D 35 25.18 34.54 73.94 23.24 35.20 72.04 24.21 34.87 72.99 3 0 1000.00 -999 ? >GLU~D 36 31.40 32.98 70.73 30.64 34.12 69.13 31.02 33.55 69.93 2 0 1000.00 -999 ? >LEU~D 37 30.50 28.26 73.53 31.48 26.35 73.39 30.99 27.30 73.46 3 0 1000.00 -999 ? >ALA~D 38 26.05 28.35 72.78 25.18 29.00 73.84 25.61 28.68 73.31 2 0 1000.00 -999 ? >TRP~D 39 26.77 32.63 69.13 26.66 32.60 65.20 26.72 32.62 67.16 3 0 1000.00 -999 ? >LYS~D 40 27.62 28.28 67.77 30.17 31.84 65.83 28.89 30.06 66.80 2 0 1000.00 -999 ? >THR~D 41 26.44 24.91 69.06 26.99 23.80 70.81 26.72 24.36 69.93 2 0 1000.00 -999 ? >LEU~D 42 22.05 26.91 68.43 20.70 27.02 70.10 21.37 26.97 69.26 3 0 1000.00 -999 ? >LYS~D 43 24.26 26.33 64.52 28.15 29.61 60.72 26.21 27.97 62.62 2 0 1000.00 -999 ? >THR~D 44 26.16 23.04 64.48 27.99 22.31 65.39 27.07 22.67 64.93 2 0 1000.00 -999 ? >PHE~D 45 20.97 20.76 67.03 18.58 19.32 67.31 19.78 20.04 67.17 3 0 1000.00 -999 ? >LEU~D 46 20.20 24.66 63.17 18.73 25.57 64.45 19.47 25.12 63.81 3 0 1000.00 -999 ? >GLU~D 47 24.58 24.45 59.63 26.57 25.12 59.91 25.58 24.78 59.77 2 0 1000.00 -999 ? >LEU.D 48 22.44 18.18 61.98 24.39 17.76 62.82 23.41 17.97 62.40 3 0 1000.00 -999 ? >GLN.D 49 16.17 18.79 60.69 14.76 18.46 62.25 15.46 18.62 61.47 2 0 1000.00 -999 ? >GLY.D 50 19.29 21.24 57.03 19.09 21.49 57.72 19.19 21.36 57.38 1 0 1000.00 -999 ? >LEU.D 51 18.02 24.69 59.90 15.88 24.43 59.89 16.95 24.56 59.89 3 0 1000.00 -999 ? >GLU.D 52 19.38 28.50 56.07 17.63 28.90 57.23 18.51 28.70 56.65 2 0 1000.00 -999 ? >ALA.D 53 22.09 29.93 61.00 22.78 29.17 62.12 22.44 29.56 61.56 2 0 1000.00 -999 ? >ARG.D 54 22.89 31.77 57.69 23.27 32.29 54.69 23.08 32.03 56.19 2 0 1000.00 -999 ? >SER~D 55 23.76 34.59 63.01 21.63 35.78 62.90 22.69 35.19 62.96 2 0 1000.00 -999 ? >PRO~D 56 24.85 35.31 67.15 23.11 34.45 66.07 23.98 34.88 66.61 3 0 1000.00 -999 ? >ARG~D 57 17.11 38.69 65.04 16.30 40.22 67.59 16.71 39.46 66.32 2 0 1000.00 -999 ? >ALA~D 58 18.79 33.18 63.21 19.59 33.17 61.91 19.19 33.18 62.56 2 0 1000.00 -999 ? >ALA~D 59 20.21 30.31 65.26 21.63 30.23 65.81 20.92 30.27 65.54 2 0 1000.00 -999 ? >ILE~D 60 17.92 32.36 69.07 18.12 33.08 70.28 18.02 32.72 69.68 3 0 1000.00 -999 ? >ARG~D 61 13.68 34.64 63.98 15.88 35.11 61.86 14.78 34.88 62.92 2 0 1000.00 -999 ? >GLY~D 62 15.74 28.10 64.37 15.68 28.26 65.19 15.71 28.18 64.78 1 0 1000.00 -999 ? >ALA~D 63 16.06 26.42 67.74 16.93 26.89 68.88 16.50 26.65 68.31 2 0 1000.00 -999 ? >PHE~D 64 12.59 29.79 69.50 13.66 31.40 71.53 13.12 30.60 70.51 3 0 1000.00 -999 ? >GLN~D 65 11.08 27.87 63.18 11.55 28.18 61.12 11.32 28.02 62.15 2 0 1000.00 -999 ? >VAL~D 66 12.84 22.71 65.28 14.95 22.91 64.83 13.89 22.81 65.06 3 0 1000.00 -999 ? >GLY.D 67 11.12 22.41 68.64 11.89 22.48 68.48 11.51 22.44 68.56 1 0 1000.00 -999 ? >LEU.D 68 15.90 22.69 69.67 17.80 22.62 70.72 16.85 22.66 70.19 3 0 1000.00 -999 ? >LEU.D 69 14.98 26.31 72.68 17.11 26.43 72.38 16.05 26.37 72.53 3 0 1000.00 -999 ? >PRO.D 70 11.62 26.55 75.96 11.43 26.17 73.78 11.53 26.36 74.87 3 0 1000.00 -999 ? >GLU.D 71 7.73 29.37 70.78 8.99 29.96 69.19 8.36 29.67 69.99 2 0 1000.00 -999 ? >ASP.D 72 12.28 31.03 76.19 12.72 32.14 77.96 12.50 31.59 77.08 2 0 1000.00 -999 ? >PRO~D 73 9.77 35.76 75.54 11.56 34.83 74.58 10.66 35.30 75.06 3 0 1000.00 -999 ? >PHE~D 74 15.69 35.56 79.30 17.70 36.62 80.92 16.70 36.09 80.11 3 0 1000.00 -999 ? >TRP~D 75 16.23 30.93 75.03 20.04 29.92 74.97 18.14 30.42 75.00 3 0 1000.00 -999 ? >LEU~D 76 15.40 37.70 71.55 14.98 36.73 69.67 15.19 37.22 70.61 3 0 1000.00 -999 ? >GLU~D 77 15.60 40.50 77.37 14.15 40.21 78.88 14.88 40.35 78.13 2 0 1000.00 -999 ? >MET?D 78 20.17 37.46 76.17 19.50 33.54 77.79 19.84 35.50 76.98 2 0 1000.00 -999 ? >LEU~D 79 20.60 38.10 71.36 20.70 39.02 69.38 20.65 38.56 70.37 3 0 1000.00 -999 ? >GLU~D 80 19.27 43.84 72.93 20.67 45.45 72.80 19.97 44.64 72.86 2 0 1000.00 -999 ? >LEU~D 81 22.55 40.60 77.91 21.21 41.01 79.54 21.88 40.80 78.72 3 0 1000.00 -999 ? >ARG~D 82 27.81 38.95 72.59 27.97 36.95 70.26 27.89 37.95 71.42 2 0 1000.00 -999 ? >ASN~D 83 24.58 43.51 71.82 24.74 42.59 69.91 24.66 43.05 70.86 2 0 1000.00 -999 ? >LEU~D 84 24.56 45.55 76.72 22.77 46.71 76.41 23.67 46.13 76.57 3 0 1000.00 -999 ? >THR~D 85 28.77 43.76 77.23 28.60 41.60 77.01 28.69 42.68 77.12 2 0 1000.00 -999 ? >ASN~D 86 30.57 46.17 73.40 30.59 44.41 72.22 30.58 45.29 72.81 2 0 1000.00 -999 ? >HIS~D 87 28.47 49.90 74.87 28.18 49.77 72.79 28.33 49.84 73.83 3 0 1000.00 -999 ? >THR~D 88 30.45 47.81 80.34 30.58 45.66 80.32 30.52 46.74 80.33 2 0 1000.00 -999 ? >TYR.D 89 32.74 51.91 78.62 31.38 52.47 76.24 32.06 52.19 77.43 3 0 1000.00 -999 ? >ASP~D 90 28.17 52.12 81.30 26.42 52.82 82.30 27.29 52.47 81.80 2 0 1000.00 -999 ? >GLU~D 91 31.56 50.71 86.55 32.68 51.48 88.16 32.12 51.10 87.36 2 0 1000.00 -999 ? >ALA~D 92 25.55 50.74 86.10 24.80 52.08 85.96 25.18 51.41 86.03 2 0 1000.00 -999 ? >LEU~D 93 25.67 49.17 81.50 25.03 48.36 79.60 25.35 48.76 80.55 3 0 1000.00 -999 ? >ALA~D 94 27.44 46.03 84.17 28.89 46.24 84.65 28.16 46.13 84.41 2 0 1000.00 -999 ? >GLU~D 95 26.06 47.22 89.18 26.68 45.69 90.54 26.37 46.46 89.86 2 0 1000.00 -999 ? >ARG~D 96 20.78 48.90 84.31 22.21 50.87 82.46 21.49 49.89 83.39 2 0 1000.00 -999 ? >ILE~D 97 24.92 42.72 82.11 25.67 42.59 80.88 25.29 42.66 81.49 3 0 1000.00 -999 ? >TYR~D 98 26.07 40.44 88.23 26.52 38.59 90.27 26.30 39.52 89.25 3 0 1000.00 -999 ? >ALA~D 99 21.36 40.90 87.47 20.53 42.15 87.69 20.94 41.52 87.58 2 0 1000.00 -999 ? >GLU~D 100 19.17 40.77 83.13 17.23 40.64 83.92 18.20 40.71 83.52 2 0 1000.00 -999 ? >LEU~D 101 24.34 36.42 85.04 25.78 37.31 83.68 25.06 36.86 84.36 3 0 1000.00 -999 ? >PRO~D 102 21.47 35.38 88.64 21.42 34.45 86.62 21.44 34.92 87.63 3 0 1000.00 -999 ? >LYS~D 103 18.25 33.61 84.41 13.83 35.95 83.43 16.04 34.78 83.92 2 0 1000.00 -999 ? >ALA~D 104 20.80 33.31 81.61 21.95 34.27 81.38 21.38 33.79 81.50 2 0 1000.00 -999 ? >LEU~D 105 22.97 30.33 84.77 24.26 28.89 85.73 23.61 29.61 85.25 3 0 1000.00 -999 ? >GLU~D 106 17.64 29.37 85.63 15.84 30.24 86.33 16.74 29.80 85.98 2 0 1000.00 -999 ? >ARG~D 107 16.44 31.03 80.26 14.15 32.52 81.65 15.30 31.78 80.96 2 0 1000.00 -999 ? >PHE~D 108 23.79 29.36 79.01 24.49 31.82 77.86 24.14 30.59 78.44 3 0 1000.00 -999 ? >GLN~D 109 22.33 25.30 83.60 22.03 25.58 85.68 22.18 25.44 84.64 2 0 1000.00 -999 ? >GLU~D 110 15.78 24.22 78.70 14.80 22.45 79.36 15.29 23.33 79.03 2 0 1000.00 -999 ? >LEU~D 111 20.71 25.17 75.87 21.42 25.37 73.84 21.07 25.27 74.86 3 0 1000.00 -999 ? >LEU~D 112 23.42 21.43 78.75 24.94 22.83 78.09 24.18 22.13 78.42 3 0 1000.00 -999 ? >ARG~D 113 17.88 19.20 81.83 17.86 22.13 82.77 17.87 20.67 82.30 2 0 1000.00 -999 ? >ARG~D 114 14.77 21.84 75.31 11.96 22.98 75.68 13.37 22.41 75.49 2 0 1000.00 -999 ? >LEU~D 115 22.11 20.14 73.58 23.25 21.03 71.99 22.68 20.59 72.78 3 0 1000.00 -999 ? >GLU~D 116 23.92 16.48 75.56 25.15 16.39 73.82 24.53 16.43 74.69 2 0 1000.00 -999 ?