REMARK SOURCE hebe.pdb HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 09-MAR-07 2EHW COMPND HYPOTHETICAL PROTEIN TTHB059; COMPND 3 CHAIN: A, B, C, D; COMPND 4 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: ROSSETA834 (DE3); SOURCE 8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 9 EXPRESSION_SYSTEM_PLASMID: PET-11A AUTHOR P.H.REHSE,S.YOKOYAMA,RIKEN STRUCTURAL GENOMICS/PROTEOMICS INITIATIVE AUTHOR 2 (RSGI) HET MSE A 87 8 HET MSE B 87 8 HET MSE C 1 8 HET MSE C 87 8 HET MSE D 87 8 >CYH~A 3 46.24 53.60 27.06 45.51 53.58 24.35 45.87 53.59 25.70 2 0 1000.00 -999 ? >HIS~A 4 41.44 52.92 28.63 40.63 51.20 27.75 41.03 52.06 28.19 3 0 1000.00 -999 ? >GLU~A 5 45.85 55.80 32.85 45.38 53.79 32.38 45.61 54.79 32.61 2 0 1000.00 -999 ? >LEU~A 6 47.79 58.00 26.79 49.88 57.66 27.24 48.83 57.83 27.01 3 0 1000.00 -999 ? >SER~A 7 43.56 59.31 25.95 42.99 57.36 24.59 43.28 58.33 25.27 2 0 1000.00 -999 ? >ALA~A 8 41.76 60.89 28.91 41.55 60.21 30.27 41.66 60.55 29.59 2 0 1000.00 -999 ? >LEU~A 9 46.19 62.58 29.80 47.68 63.82 30.73 46.93 63.20 30.26 3 0 1000.00 -999 ? >ARG~A 10 45.81 63.14 22.11 46.29 63.50 19.09 46.05 63.32 20.60 2 0 1000.00 -999 ? >ILE~A 11 40.09 64.13 26.47 38.82 63.47 26.24 39.46 63.80 26.35 3 0 1000.00 -999 ? >ALA~A 12 41.74 67.40 28.92 42.21 67.02 30.33 41.97 67.21 29.63 2 0 1000.00 -999 ? >ILE~A 13 46.07 68.43 26.95 46.97 69.19 27.82 46.52 68.81 27.39 3 0 1000.00 -999 ? >GLY~A 14 42.68 69.29 24.12 42.49 69.60 24.88 42.58 69.44 24.50 1 0 1000.00 -999 ? >GLU~A 15 37.60 71.00 27.19 36.28 70.19 25.74 36.94 70.60 26.46 2 0 1000.00 -999 ? >LEU~A 16 43.48 72.99 28.25 44.54 74.19 29.68 44.01 73.59 28.97 3 0 1000.00 -999 ? >LEU~A 17 44.60 73.19 23.18 46.69 73.07 23.68 45.65 73.13 23.43 3 0 1000.00 -999 ? >GLU.A 18 38.83 76.37 23.22 38.38 78.33 22.62 38.61 77.35 22.92 2 0 1000.00 -999 ? >LYS.A 19 40.55 71.45 19.91 45.76 71.83 18.82 43.15 71.64 19.36 2 0 1000.00 -999 ? >GLU~A 20 36.74 71.70 15.18 34.92 70.65 15.16 35.83 71.18 15.17 2 0 1000.00 -999 ? >ALA~A 21 35.57 68.02 18.80 34.05 68.06 18.92 34.81 68.04 18.86 2 0 1000.00 -999 ? >HIS~A 22 36.52 64.75 13.57 37.04 62.99 12.54 36.78 63.87 13.05 3 0 1000.00 -999 ? >ASP~A 23 40.82 67.11 17.08 41.34 68.19 15.33 41.08 67.65 16.20 2 0 1000.00 -999 ? >LEU~A 24 39.05 64.77 21.30 40.46 66.06 22.30 39.75 65.41 21.80 3 0 1000.00 -999 ? >LEU~A 25 36.40 61.48 17.06 34.62 60.63 16.19 35.51 61.05 16.62 3 0 1000.00 -999 ? >HIS~A 26 39.10 57.61 16.44 38.30 57.72 14.50 38.70 57.67 15.47 3 0 1000.00 -999 ? >GLU~A 27 42.21 60.14 22.08 42.38 61.04 20.19 42.29 60.59 21.13 2 0 1000.00 -999 ? >ARG~A 28 34.88 63.22 23.45 35.53 65.72 25.13 35.21 64.47 24.29 2 0 1000.00 -999 ? >GLU~A 29 34.74 57.23 19.61 33.90 56.58 17.79 34.32 56.90 18.70 2 0 1000.00 -999 ? >GLU~A 30 39.94 54.07 21.92 42.04 53.76 21.87 40.99 53.91 21.90 2 0 1000.00 -999 ? >LEU~A 31 37.71 57.17 27.21 39.00 57.87 28.78 38.35 57.52 28.00 3 0 1000.00 -999 ? >ALA~A 32 33.51 55.78 26.90 32.69 55.97 25.63 33.10 55.87 26.27 2 0 1000.00 -999 ? >PRO.A 33 34.60 51.61 26.03 33.24 52.70 27.43 33.92 52.15 26.73 3 0 1000.00 -999 ? >VAL.A 34 35.47 51.94 30.68 37.64 52.03 30.98 36.55 51.98 30.83 3 0 1000.00 -999 ? >LEU.A 35 33.81 56.41 31.75 35.04 57.94 30.86 34.42 57.18 31.30 3 0 1000.00 -999 ? >GLY.A 36 31.80 53.23 34.31 32.65 53.18 34.36 32.23 53.21 34.34 1 0 1000.00 -999 ? >GLN.A 37 33.94 48.58 35.26 33.12 47.78 37.07 33.53 48.18 36.16 2 0 1000.00 -999 ? >ARG~A 38 39.88 52.12 34.83 42.67 53.35 34.79 41.28 52.73 34.81 2 0 1000.00 -999 ? >PRO~A 39 34.72 55.82 39.35 35.70 56.59 37.50 35.21 56.21 38.43 3 0 1000.00 -999 ? >GLU~A 40 40.86 57.10 37.55 40.00 55.20 37.84 40.43 56.15 37.69 2 0 1000.00 -999 ? >LEU~A 41 39.07 57.33 33.12 40.60 55.87 32.65 39.84 56.60 32.88 3 0 1000.00 -999 ? >LYS~A 42 36.08 60.63 33.69 29.87 61.75 34.33 32.97 61.19 34.01 2 0 1000.00 -999 ? >ARG~A 43 37.00 62.79 40.06 36.62 59.84 40.77 36.81 61.32 40.41 2 0 1000.00 -999 ? >LEU~A 44 41.55 62.10 34.02 43.68 62.21 33.62 42.62 62.15 33.82 3 0 1000.00 -999 ? >ALA~A 45 39.11 63.91 30.83 38.25 62.91 30.05 38.68 63.41 30.44 2 0 1000.00 -999 ? >GLU~A 46 34.77 65.53 31.50 32.99 64.63 32.19 33.88 65.08 31.85 2 0 1000.00 -999 ? >ALA~A 47 39.32 68.44 34.54 40.69 67.93 34.98 40.00 68.19 34.76 2 0 1000.00 -999 ? >LYS.A 48 39.26 72.20 33.86 36.97 70.86 30.17 38.12 71.53 32.01 2 0 1000.00 -999 ? >THR~A 49 42.16 73.33 36.07 41.17 73.59 37.96 41.67 73.46 37.01 2 0 1000.00 -999 ? >LEU~A 50 47.00 73.01 36.11 47.69 73.72 34.19 47.35 73.36 35.15 3 0 1000.00 -999 ? >PRO~A 51 45.60 73.39 40.42 45.53 71.49 39.26 45.57 72.44 39.84 3 0 1000.00 -999 ? >ALA~A 52 42.41 69.03 39.21 41.05 69.58 38.77 41.73 69.30 38.99 2 0 1000.00 -999 ? >LEU~A 53 44.78 68.39 35.04 44.33 67.81 33.01 44.56 68.10 34.03 3 0 1000.00 -999 ? >GLU~A 54 48.69 68.48 38.08 50.53 69.28 38.76 49.61 68.88 38.42 2 0 1000.00 -999 ? >GLU~A 55 43.43 65.15 43.05 42.04 66.29 44.21 42.73 65.72 43.63 2 0 1000.00 -999 ? >ALA~A 56 42.86 62.98 38.58 41.93 63.48 37.48 42.39 63.23 38.03 2 0 1000.00 -999 ? >LEU~A 57 47.14 62.63 36.29 48.37 61.86 34.67 47.76 62.25 35.48 3 0 1000.00 -999 ? >ARG~A 58 49.42 62.87 42.90 47.55 65.21 43.57 48.48 64.04 43.23 2 0 1000.00 -999 ? >GLU~A 59 42.33 59.85 41.98 40.20 59.90 42.00 41.27 59.88 41.99 2 0 1000.00 -999 ? >ALA~A 60 44.76 56.97 37.45 44.72 57.67 36.10 44.74 57.32 36.78 2 0 1000.00 -999 ? >LEU~A 61 49.51 57.09 38.61 50.93 57.92 37.18 50.22 57.51 37.90 3 0 1000.00 -999 ? >LEU~A 62 46.27 54.77 42.49 46.24 53.89 44.47 46.26 54.33 43.48 3 0 1000.00 -999 ? >HIS~A 63 42.92 51.47 37.83 41.97 49.89 36.83 42.45 50.68 37.33 3 0 1000.00 -999 ? >LEU~A 64 48.24 52.57 35.88 48.85 52.36 33.83 48.55 52.47 34.86 3 0 1000.00 -999 ? >GLU~A 65 51.56 51.14 41.57 53.48 51.50 40.74 52.52 51.32 41.15 2 0 1000.00 -999 ? >GLU~A 66 46.11 49.50 42.36 44.10 49.95 42.92 45.10 49.73 42.64 2 0 1000.00 -999 ? >ARG~A 67 45.54 45.12 35.31 44.40 44.14 32.63 44.97 44.63 33.97 2 0 1000.00 -999 ? >ALA~A 68 50.77 46.24 36.85 51.73 47.41 36.73 51.25 46.83 36.79 2 0 1000.00 -999 ? >ALA~A 69 51.26 44.51 40.20 51.05 45.16 41.57 51.15 44.83 40.89 2 0 1000.00 -999 ? >GLN~A 70 46.35 43.17 40.47 44.55 44.21 39.95 45.45 43.69 40.21 2 0 1000.00 -999 ? >GLU~A 71 48.86 40.44 33.69 47.67 41.20 32.09 48.26 40.82 32.89 2 0 1000.00 -999 ? >PRO.A 72 53.06 40.50 38.70 52.95 40.96 36.52 53.00 40.73 37.61 3 0 1000.00 -999 ? >GLU.A 73 51.95 37.51 33.44 51.61 37.74 35.51 51.78 37.63 34.47 2 0 1000.00 -999 ? >GLU~A 74 50.96 42.89 29.70 51.86 42.31 27.88 51.41 42.60 28.79 2 0 1000.00 -999 ? >PRO~A 75 56.27 42.93 28.88 55.02 43.69 30.56 55.64 43.31 29.72 3 0 1000.00 -999 ? >TYR~A 76 50.77 47.10 27.56 49.11 49.24 26.83 49.94 48.17 27.19 3 0 1000.00 -999 ? >TRP~A 77 49.31 44.86 32.94 46.68 47.01 30.96 47.99 45.94 31.95 3 0 1000.00 -999 ? >ARG~A 78 56.29 45.40 34.98 56.87 43.09 36.93 56.58 44.25 35.95 2 0 1000.00 -999 ? >GLY~A 79 55.53 50.38 30.01 54.84 50.49 30.54 55.19 50.43 30.28 1 0 1000.00 -999 ? >LEU~A 80 50.87 51.69 30.44 49.06 52.67 29.74 49.97 52.18 30.09 3 0 1000.00 -999 ? >LEU~A 81 53.67 52.35 35.04 52.51 51.95 36.83 53.09 52.15 35.94 3 0 1000.00 -999 ? >LEU~A 82 57.67 53.86 32.13 59.80 53.95 32.42 58.74 53.91 32.28 3 0 1000.00 -999 ? >ALA~A 83 54.83 56.58 29.97 54.12 55.90 28.81 54.48 56.24 29.39 2 0 1000.00 -999 ? >VAL~A 84 52.08 58.06 32.13 50.09 57.39 32.74 51.09 57.73 32.43 3 0 1000.00 -999 ? >GLU~A 85 54.86 57.55 36.72 55.83 55.78 37.34 55.34 56.67 37.03 2 0 1000.00 -999 ? >ALA~A 86 56.84 60.82 32.11 57.35 60.19 30.81 57.10 60.51 31.46 2 0 1000.00 -999 ? >MET?A 87 53.79 62.80 31.04 53.80 62.71 27.74 53.79 62.75 29.39 2 0 1000.00 -999 ? >GLU~A 88 52.52 63.30 37.15 52.66 61.98 38.79 52.59 62.64 37.97 2 0 1000.00 -999 ? >GLY~A 89 56.36 65.12 34.84 55.72 65.27 34.30 56.04 65.19 34.57 1 0 1000.00 -999 ? >ARG~A 90 56.68 65.98 28.36 56.75 67.47 25.69 56.71 66.73 27.03 2 0 1000.00 -999 ? >LEU~A 91 51.10 67.28 33.65 49.05 67.88 34.03 50.08 67.58 33.84 3 0 1000.00 -999 ? >LYS~A 92 53.86 69.39 36.46 56.53 67.28 41.00 55.19 68.34 38.73 2 0 1000.00 -999 ? >ALA~A 93 56.33 71.35 34.33 57.20 70.75 33.23 56.76 71.05 33.78 2 0 1000.00 -999 ? >LEU~A 94 52.36 72.37 31.72 51.29 73.10 29.97 51.82 72.73 30.85 3 0 1000.00 -999 ? >ARG~A 95 50.30 72.78 39.15 48.91 72.53 41.86 49.60 72.65 40.50 2 0 1000.00 -999 ? >ALA~A 96 55.17 75.38 37.26 56.49 74.61 37.36 55.83 74.99 37.31 2 0 1000.00 -999 ? >GLU~A 97 56.75 76.61 32.30 58.02 78.26 32.01 57.39 77.44 32.15 2 0 1000.00 -999 ? >ALA~A 98 51.81 78.90 34.63 50.54 78.06 34.69 51.17 78.48 34.66 2 0 1000.00 -999 ? >GLU~A 99 53.49 78.67 40.66 51.90 79.65 41.69 52.69 79.16 41.18 2 0 1000.00 -999 ? >ALA~A 100 55.84 81.33 37.44 57.00 80.82 36.60 56.42 81.08 37.02 2 0 1000.00 -999 ? >LEU~A 101 52.94 82.94 33.90 52.19 84.21 32.30 52.56 83.58 33.10 3 0 1000.00 -999 ? >TYR~A 102 49.71 83.35 39.70 48.00 84.21 41.72 48.85 83.78 40.71 3 0 1000.00 -999 ? >GLN~A 103 54.45 83.31 41.84 55.82 81.70 42.08 55.13 82.50 41.96 2 0 1000.00 -999 ? >ASP~A 104 56.49 86.88 36.54 58.31 85.87 37.03 57.40 86.37 36.78 2 0 1000.00 -999 ? >LEU~A 105 51.12 88.60 36.78 50.12 88.04 34.94 50.62 88.32 35.86 3 0 1000.00 -999 ? >ASP~A 106 52.49 89.61 41.74 52.42 90.68 43.54 52.45 90.14 42.64 2 0 1000.00 -999 ? >ALA~A 107 56.20 91.75 40.66 57.44 90.88 40.50 56.82 91.31 40.58 2 0 1000.00 -999 ? >LEU~A 108 55.37 92.72 36.02 55.63 93.15 33.93 55.50 92.94 34.98 3 0 1000.00 -999 ? >HIS~A 109 50.81 95.75 39.94 49.46 96.93 41.05 50.13 96.34 40.50 3 0 1000.00 -999 ? >GLY~A 110 55.04 96.58 41.46 55.24 96.56 40.65 55.14 96.57 41.06 1 0 1000.00 -999 ? >ARG~A 111 60.85 97.09 38.61 63.50 98.47 39.24 62.18 97.78 38.92 2 0 1000.00 -999 ? >LEU~A 112 54.38 99.22 36.23 54.04 98.58 34.22 54.21 98.90 35.23 3 0 1000.00 -999 ? >HIS~A 113 53.60 101.89 42.22 52.83 103.11 43.74 53.21 102.50 42.98 3 0 1000.00 -999 ? >ARG~A 114 60.03 99.87 43.38 60.73 97.11 42.24 60.38 98.49 42.81 2 0 1000.00 -999 ? >LEU~A 115 59.69 102.30 36.26 61.37 100.97 36.08 60.53 101.63 36.17 3 0 1000.00 -999 ? >PHE~A 116 56.20 104.50 34.76 57.57 103.45 32.56 56.88 103.98 33.66 3 0 1000.00 -999 ? >PRO.A 117 58.07 107.00 40.77 56.06 107.00 39.82 57.07 107.00 40.30 3 0 1000.00 -999 ? >CYH~B 3 69.64 98.39 23.64 68.44 97.94 21.16 69.04 98.16 22.40 2 0 1000.00 -999 ? >HIS~B 4 74.71 98.40 23.25 75.29 99.81 21.81 75.00 99.10 22.53 3 0 1000.00 -999 ? >GLU~B 5 71.95 95.49 28.94 72.10 97.61 28.86 72.03 96.55 28.90 2 0 1000.00 -999 ? >LEU~B 6 67.99 93.37 23.67 66.11 93.96 24.59 67.05 93.66 24.13 3 0 1000.00 -999 ? >SER~B 7 71.89 92.24 21.70 71.84 94.25 20.37 71.86 93.24 21.03 2 0 1000.00 -999 ? >ALA~B 8 74.26 90.61 24.15 74.91 91.30 25.32 74.58 90.95 24.73 2 0 1000.00 -999 ? >LEU~B 9 70.29 88.77 26.32 69.21 87.58 27.78 69.75 88.18 27.05 3 0 1000.00 -999 ? >ARG~B 10 68.68 88.19 18.80 67.46 87.24 16.15 68.07 87.71 17.47 2 0 1000.00 -999 ? >ILE~B 11 75.37 87.25 21.22 76.52 87.81 20.56 75.94 87.53 20.89 3 0 1000.00 -999 ? >ALA~B 12 74.39 84.25 24.42 74.21 84.73 25.84 74.30 84.49 25.13 2 0 1000.00 -999 ? >ILE~B 13 69.73 82.95 23.77 69.16 82.25 24.94 69.44 82.60 24.35 3 0 1000.00 -999 ? >GLY~B 14 72.14 82.18 20.04 72.53 81.86 20.70 72.33 82.02 20.37 1 0 1000.00 -999 ? >GLU~B 15 77.26 81.80 21.19 78.40 80.95 19.62 77.83 81.38 20.41 2 0 1000.00 -999 ? >LEU~B 16 72.20 78.39 24.25 71.60 77.12 25.89 71.90 77.75 25.07 3 0 1000.00 -999 ? >LEU~B 17 69.90 78.11 19.64 68.01 78.32 20.64 68.96 78.22 20.14 3 0 1000.00 -999 ? >GLU.B 18 75.69 74.89 17.94 76.08 72.96 17.13 75.88 73.92 17.53 2 0 1000.00 -999 ? >LYS.B 19 73.04 79.74 15.50 67.43 80.00 15.80 70.24 79.87 15.65 2 0 1000.00 -999 ? >GLU~B 20 74.70 78.82 10.89 74.37 78.53 8.85 74.53 78.67 9.87 2 0 1000.00 -999 ? >ALA~B 21 77.64 83.55 12.50 79.01 83.59 11.86 78.32 83.57 12.18 2 0 1000.00 -999 ? >HIS~B 22 75.53 85.38 7.44 76.21 86.61 5.88 75.87 86.00 6.66 3 0 1000.00 -999 ? >ASP~B 23 71.78 83.80 12.98 71.21 82.27 11.64 71.50 83.03 12.31 2 0 1000.00 -999 ? >LEU~B 24 74.83 86.41 16.04 73.92 85.09 17.50 74.37 85.75 16.77 3 0 1000.00 -999 ? >LEU~B 25 75.58 89.32 10.90 76.96 90.00 9.41 76.27 89.66 10.16 3 0 1000.00 -999 ? >HIS~B 26 72.14 94.21 13.35 71.34 96.12 13.71 71.74 95.16 13.53 3 0 1000.00 -999 ? >GLU~B 27 72.09 90.78 18.11 70.94 90.27 16.42 71.52 90.53 17.27 2 0 1000.00 -999 ? >ARG~B 28 78.86 87.87 16.67 79.00 84.84 17.08 78.93 86.36 16.87 2 0 1000.00 -999 ? >GLU~B 29 78.59 93.78 12.52 78.31 94.33 10.50 78.45 94.05 11.51 2 0 1000.00 -999 ? >LEU.B 31 77.45 94.28 20.62 77.04 93.63 22.63 77.25 93.95 21.62 3 0 1000.00 -999 ? >ALA~B 32 81.64 95.56 19.13 82.15 95.61 17.69 81.89 95.58 18.41 2 0 1000.00 -999 ? >PRO~B 33 81.71 99.83 18.28 82.27 98.51 19.99 81.99 99.17 19.13 3 0 1000.00 -999 ? >VAL~B 34 80.92 99.53 23.79 79.05 100.57 24.16 79.98 100.05 23.97 3 0 1000.00 -999 ? >LEU~B 35 83.02 95.10 24.02 81.91 93.24 23.75 82.46 94.17 23.89 3 0 1000.00 -999 ? >GLY~B 36 85.46 98.12 26.34 84.66 98.20 26.55 85.06 98.16 26.45 1 0 1000.00 -999 ? >GLN.B 37 82.22 102.51 29.41 81.24 104.30 28.76 81.73 103.40 29.08 2 0 1000.00 -999 ? >ARG~B 38 77.78 99.36 28.79 74.99 98.41 29.67 76.39 98.88 29.23 2 0 1000.00 -999 ? >PRO~B 39 83.31 95.43 32.58 82.52 95.01 30.52 82.92 95.22 31.55 3 0 1000.00 -999 ? >GLU~B 40 78.84 95.72 32.87 78.20 97.51 31.94 78.52 96.61 32.40 2 0 1000.00 -999 ? >LEU~B 41 77.70 94.13 27.19 76.09 95.58 27.22 76.89 94.86 27.20 3 0 1000.00 -999 ? >LYS~B 42 81.04 91.06 27.17 87.32 90.47 26.35 84.18 90.77 26.76 2 0 1000.00 -999 ? >ARG~B 43 82.01 89.25 33.42 81.63 91.70 35.20 81.82 90.47 34.31 2 0 1000.00 -999 ? >LEU~B 44 75.91 89.46 29.04 73.76 89.22 28.93 74.83 89.34 28.99 3 0 1000.00 -999 ? >ALA~B 45 77.53 87.61 25.45 78.14 88.63 24.47 77.83 88.12 24.96 2 0 1000.00 -999 ? >GLU~B 46 81.98 86.53 25.69 84.07 86.82 25.68 83.02 86.68 25.68 2 0 1000.00 -999 ? >ALA~B 47 78.26 83.16 29.17 77.09 83.71 29.94 77.67 83.43 29.55 2 0 1000.00 -999 ? >LYS.B 48 78.11 79.46 28.24 80.71 81.24 23.89 79.41 80.35 26.06 2 0 1000.00 -999 ? >THR~B 49 76.02 78.15 31.16 77.55 77.77 32.61 76.79 77.96 31.89 2 0 1000.00 -999 ? >LEU~B 50 71.39 78.10 32.71 70.12 77.64 30.97 70.76 77.87 31.84 3 0 1000.00 -999 ? >PRO~B 51 73.84 78.03 36.50 73.65 79.90 35.30 73.74 78.96 35.90 3 0 1000.00 -999 ? >ALA~B 52 76.59 82.43 34.39 77.77 81.92 33.58 77.18 82.17 33.99 2 0 1000.00 -999 ? >LEU~B 53 73.25 83.05 30.94 72.81 83.74 28.94 73.03 83.40 29.94 3 0 1000.00 -999 ? >GLU~B 54 69.85 83.27 35.30 68.94 82.04 36.76 69.39 82.66 36.03 2 0 1000.00 -999 ? >GLU~B 55 76.58 86.71 38.36 78.60 86.93 37.76 77.59 86.82 38.06 2 0 1000.00 -999 ? >ALA~B 56 75.84 88.42 33.80 76.43 87.79 32.54 76.14 88.11 33.17 2 0 1000.00 -999 ? >LEU~B 57 71.17 88.67 32.40 69.34 89.39 31.48 70.25 89.03 31.94 3 0 1000.00 -999 ? >ARG~B 58 69.69 90.61 38.72 67.81 93.00 39.05 68.75 91.81 38.89 2 0 1000.00 -999 ? >GLU~B 59 76.77 91.46 37.57 76.77 92.74 39.25 76.77 92.10 38.41 2 0 1000.00 -999 ? >ALA~B 60 73.82 94.42 33.26 73.52 93.75 31.92 73.67 94.08 32.59 2 0 1000.00 -999 ? >LEU~B 61 69.44 94.27 35.29 67.79 93.58 34.12 68.62 93.92 34.71 3 0 1000.00 -999 ? >LEU~B 62 73.03 96.43 38.69 72.24 95.35 40.41 72.63 95.89 39.55 3 0 1000.00 -999 ? >HIS~B 63 75.48 99.85 33.22 76.06 101.35 31.87 75.77 100.60 32.54 3 0 1000.00 -999 ? >LEU~B 64 69.97 98.93 32.59 68.76 99.19 30.83 69.37 99.06 31.71 3 0 1000.00 -999 ? >GLU~B 65 67.36 100.24 38.51 66.76 98.79 39.90 67.06 99.51 39.21 2 0 1000.00 -999 ? >GLU~B 66 73.34 101.88 38.85 75.43 101.50 39.01 74.39 101.69 38.93 2 0 1000.00 -999 ? >ARG~B 67 72.14 106.36 31.72 74.67 105.31 30.33 73.41 105.84 31.02 2 0 1000.00 -999 ? >ALA~B 68 67.60 105.28 34.57 66.60 104.13 34.62 67.10 104.71 34.60 2 0 1000.00 -999 ? >ALA~B 69 67.97 106.84 38.02 68.53 106.12 39.23 68.25 106.48 38.63 2 0 1000.00 -999 ? >GLN~B 70 72.60 107.93 36.79 74.14 107.03 35.64 73.37 107.48 36.22 2 0 1000.00 -999 ? >GLU~B 71 70.32 110.73 32.00 71.19 109.99 30.21 70.75 110.36 31.10 2 0 1000.00 -999 ? >PRO.B 72 65.64 111.18 36.81 65.40 110.67 34.66 65.52 110.93 35.74 3 0 1000.00 -999 ? >GLU.B 73 65.91 113.92 30.73 67.52 113.55 32.04 66.71 113.74 31.39 2 0 1000.00 -999 ? >GLU~B 74 65.78 108.70 27.80 64.43 109.22 26.26 65.11 108.96 27.03 2 0 1000.00 -999 ? >PRO~B 75 60.41 108.81 28.16 61.93 108.03 29.58 61.17 108.42 28.87 3 0 1000.00 -999 ? >TYR~B 76 65.17 104.45 25.60 66.52 102.27 24.49 65.85 103.36 25.04 3 0 1000.00 -999 ? >TRP~B 77 67.49 107.02 30.51 70.09 105.21 28.16 68.79 106.12 29.34 3 0 1000.00 -999 ? >ARG~B 78 61.56 105.69 34.30 63.48 106.62 36.53 62.52 106.16 35.42 2 0 1000.00 -999 ? >GLY~B 79 61.18 101.05 29.05 61.96 100.92 29.41 61.57 100.99 29.23 1 0 1000.00 -999 ? >LEU~B 80 65.68 99.75 27.84 67.39 98.66 27.05 66.54 99.21 27.44 3 0 1000.00 -999 ? >LEU~B 81 64.95 99.36 33.04 65.98 99.12 34.91 65.47 99.24 33.98 3 0 1000.00 -999 ? >LEU~B 82 60.16 97.74 31.79 58.40 97.84 33.02 59.28 97.79 32.40 3 0 1000.00 -999 ? >ALA~B 83 61.92 94.84 28.95 62.15 95.43 27.57 62.03 95.14 28.26 2 0 1000.00 -999 ? >VAL~B 84 65.21 93.27 30.02 67.33 93.78 29.89 66.27 93.53 29.96 3 0 1000.00 -999 ? >GLU~B 85 64.05 94.28 35.18 63.13 95.85 36.25 63.59 95.06 35.71 2 0 1000.00 -999 ? >ALA~B 86 60.80 90.72 31.74 59.86 91.34 30.72 60.33 91.03 31.23 2 0 1000.00 -999 ? >MET?B 87 63.32 88.75 29.66 62.29 88.85 26.59 62.81 88.80 28.12 2 0 1000.00 -999 ? >GLU~B 88 66.31 88.43 35.14 66.80 89.84 36.64 66.56 89.14 35.89 2 0 1000.00 -999 ? >GLY~B 89 62.05 86.47 34.15 62.49 86.30 33.42 62.27 86.39 33.78 1 0 1000.00 -999 ? >ARG~B 90 59.97 85.56 27.97 59.20 84.20 25.34 59.59 84.88 26.65 2 0 1000.00 -999 ? >LEU~B 91 66.78 84.14 31.63 68.77 83.42 31.16 67.78 83.78 31.39 3 0 1000.00 -999 ? >LYS~B 92 64.77 82.14 35.08 62.72 86.93 37.53 63.75 84.54 36.31 2 0 1000.00 -999 ? >ALA~B 93 61.78 80.21 33.77 60.65 80.80 32.91 61.21 80.50 33.34 2 0 1000.00 -999 ? >LEU~B 94 64.82 79.17 30.15 65.61 78.24 28.35 65.22 78.70 29.25 3 0 1000.00 -999 ? >ARG~B 95 69.00 78.54 36.79 71.16 78.52 38.94 70.08 78.53 37.86 2 0 1000.00 -999 ? >ALA~B 96 63.86 76.28 36.17 62.67 77.11 36.65 63.26 76.69 36.41 2 0 1000.00 -999 ? >GLU~B 97 60.80 75.14 31.80 60.38 76.40 30.12 60.59 75.77 30.96 2 0 1000.00 -999 ? >ALA~B 98 66.23 72.72 32.81 67.44 73.56 32.42 66.83 73.14 32.61 2 0 1000.00 -999 ? >GLU~B 99 66.67 73.11 38.96 68.74 72.68 39.04 67.70 72.89 39.00 2 0 1000.00 -999 ? >ALA~B 100 63.22 70.22 36.57 61.83 70.74 36.14 62.53 70.48 36.36 2 0 1000.00 -999 ? >LEU~B 101 64.76 68.56 32.27 64.83 67.32 30.48 64.80 67.94 31.37 3 0 1000.00 -999 ? >TYR~B 102 69.75 68.02 36.80 71.89 67.26 38.44 70.82 67.64 37.62 3 0 1000.00 -999 ? >GLN~B 103 65.73 68.10 40.26 67.52 67.42 41.24 66.62 67.76 40.75 2 0 1000.00 -999 ? >ASP~B 104 62.12 64.47 35.82 60.71 65.73 36.82 61.41 65.10 36.32 2 0 1000.00 -999 ? >LEU~B 105 67.33 63.04 34.22 67.83 63.67 32.22 67.58 63.36 33.22 3 0 1000.00 -999 ? >ASP~B 106 67.86 61.77 39.24 68.43 60.58 40.89 68.14 61.17 40.07 2 0 1000.00 -999 ? >ALA~B 107 63.81 60.01 39.34 62.60 60.94 39.51 63.21 60.47 39.42 2 0 1000.00 -999 ? >LEU~B 108 63.30 58.90 34.63 62.14 58.39 32.87 62.72 58.64 33.75 3 0 1000.00 -999 ? >HIS~B 109 68.73 55.87 37.49 70.26 54.48 37.87 69.49 55.17 37.68 3 0 1000.00 -999 ? >GLY~B 110 64.71 55.03 39.85 64.40 55.00 39.08 64.55 55.01 39.46 1 0 1000.00 -999 ? >ARG~B 111 59.10 55.95 39.21 56.87 57.21 40.85 57.99 56.58 40.03 2 0 1000.00 -999 ? >LEU~B 112 64.01 52.84 34.42 64.27 52.44 32.34 64.14 52.64 33.38 3 0 1000.00 -999 ? >HIS~B 113 67.43 50.60 37.37 68.91 50.71 35.89 68.17 50.65 36.63 3 0 1000.00 -999 ? >ARG~B 114 62.31 49.85 42.91 60.85 51.14 45.27 61.58 50.49 44.09 2 0 1000.00 -999 ? >LEU~B 115 59.08 49.34 36.04 57.59 50.79 36.58 58.34 50.06 36.31 3 0 1000.00 -999 ? >PHE~B 116 61.05 47.16 32.65 58.67 47.65 31.27 59.86 47.40 31.96 3 0 1000.00 -999 ? >PRO.B 117 63.22 45.04 38.82 64.23 45.18 36.84 63.72 45.11 37.83 3 0 1000.00 -999 ? >MET?C 1 58.83 96.04 60.80 61.13 98.17 59.65 59.98 97.11 60.22 2 0 1000.00 -999 ? >ALA.C 2 57.92 92.48 61.74 56.47 92.17 62.08 57.19 92.32 61.91 2 0 1000.00 -999 ? >CYH~C 3 59.19 89.11 60.55 60.27 88.44 62.97 59.73 88.77 61.76 2 0 1000.00 -999 ? >HIS~C 4 54.43 89.14 59.16 53.79 90.99 59.91 54.11 90.07 59.53 3 0 1000.00 -999 ? >GLU~C 5 58.54 85.83 55.14 58.08 87.88 55.38 58.31 86.86 55.26 2 0 1000.00 -999 ? >LEU~C 6 61.06 84.35 61.32 63.19 84.46 60.95 62.12 84.40 61.13 3 0 1000.00 -999 ? >SER~C 7 56.98 83.23 62.65 56.67 85.48 63.55 56.82 84.36 63.10 2 0 1000.00 -999 ? >ALA~C 8 55.08 81.26 59.99 54.67 81.78 58.62 54.88 81.52 59.30 2 0 1000.00 -999 ? >LEU~C 9 59.40 79.43 58.79 60.76 78.10 57.77 60.08 78.76 58.28 3 0 1000.00 -999 ? >ARG~C 10 59.75 80.04 66.36 60.71 78.48 68.81 60.23 79.26 67.58 2 0 1000.00 -999 ? >ILE~C 11 53.67 78.33 63.11 52.51 79.07 63.44 53.09 78.70 63.28 3 0 1000.00 -999 ? >ALA~C 12 55.08 74.95 60.62 55.46 75.28 59.18 55.27 75.11 59.90 2 0 1000.00 -999 ? >ILE~C 13 59.59 73.99 62.08 60.92 74.06 61.69 60.25 74.03 61.89 3 0 1000.00 -999 ? >GLY~C 14 56.54 73.48 65.47 56.28 73.10 64.77 56.41 73.29 65.12 1 0 1000.00 -999 ? >GLU~C 15 51.65 73.00 63.65 50.33 72.41 65.21 50.99 72.71 64.43 2 0 1000.00 -999 ? >LEU~C 16 57.01 69.20 61.67 57.72 67.79 60.23 57.36 68.50 60.95 3 0 1000.00 -999 ? >LEU~C 17 58.65 69.61 66.57 60.69 69.60 65.92 59.67 69.60 66.24 3 0 1000.00 -999 ? >GLU.C 18 52.76 66.55 68.79 52.63 64.43 68.86 52.70 65.49 68.83 2 0 1000.00 -999 ? >LYS.C 19 54.92 71.60 69.82 60.39 71.33 70.68 57.66 71.46 70.25 2 0 1000.00 -999 ? >GLU.C 20 52.23 71.27 74.17 52.28 71.27 76.27 52.26 71.27 75.22 2 0 1000.00 -999 ? >ALA.C 21 49.78 75.55 71.08 48.25 75.47 71.05 49.01 75.51 71.06 2 0 1000.00 -999 ? >HIS.C 22 51.60 76.47 76.12 53.05 75.32 77.11 52.33 75.90 76.62 3 0 1000.00 -999 ? >ASP.C 23 55.42 76.29 72.76 55.58 75.18 74.54 55.50 75.73 73.65 2 0 1000.00 -999 ? >LEU~C 24 52.88 77.98 68.49 53.88 76.31 67.56 53.38 77.15 68.03 3 0 1000.00 -999 ? >LEU~C 25 50.75 81.88 72.36 49.09 83.07 73.09 49.92 82.48 72.73 3 0 1000.00 -999 ? >HIS~C 26 54.40 85.39 72.21 54.13 85.74 74.26 54.27 85.56 73.23 3 0 1000.00 -999 ? >GLU~C 27 56.11 82.05 66.40 56.60 81.61 68.42 56.35 81.83 67.41 2 0 1000.00 -999 ? >ARG~C 28 48.53 79.58 66.51 49.84 76.81 66.51 49.18 78.19 66.51 2 0 1000.00 -999 ? >GLU~C 29 48.80 85.98 69.95 48.59 86.94 71.83 48.69 86.46 70.89 2 0 1000.00 -999 ? >GLU~C 30 54.27 88.88 64.67 56.23 88.15 64.42 55.25 88.52 64.54 2 0 1000.00 -999 ? >LEU~C 31 50.90 85.20 61.76 52.57 84.35 60.72 51.74 84.78 61.24 3 0 1000.00 -999 ? >ALA~C 32 46.86 86.97 62.62 46.18 87.02 63.99 46.52 86.99 63.30 2 0 1000.00 -999 ? >PRO.C 33 48.58 90.98 62.71 46.88 89.98 61.68 47.73 90.48 62.19 3 0 1000.00 -999 ? >VAL.C 34 48.61 89.86 58.08 50.72 89.88 58.67 49.67 89.87 58.38 3 0 1000.00 -999 ? >LEU.C 35 46.45 85.49 58.09 47.66 84.06 59.15 47.05 84.77 58.62 3 0 1000.00 -999 ? >GLY.C 36 44.10 88.01 55.22 44.93 88.18 55.14 44.52 88.10 55.18 1 0 1000.00 -999 ? >ARG~C 38 52.21 89.38 53.77 55.07 88.30 53.60 53.64 88.84 53.68 2 0 1000.00 -999 ? >PRO~C 39 46.28 85.19 50.34 47.71 84.68 51.98 46.99 84.94 51.16 3 0 1000.00 -999 ? >GLU~C 40 52.80 84.26 51.15 51.78 86.09 50.90 52.29 85.18 51.02 2 0 1000.00 -999 ? >LEU~C 41 51.95 84.50 55.75 53.69 85.75 55.93 52.82 85.12 55.84 3 0 1000.00 -999 ? >LYS~C 42 48.86 81.22 56.13 43.49 79.18 55.76 46.18 80.20 55.94 2 0 1000.00 -999 ? >ARG~C 43 48.69 78.25 50.05 48.22 81.06 48.89 48.46 79.66 49.47 2 0 1000.00 -999 ? >LEU~C 44 54.22 79.53 55.42 56.37 79.43 55.68 55.29 79.48 55.55 3 0 1000.00 -999 ? >ALA~C 45 52.22 78.22 58.96 51.49 79.35 59.68 51.85 78.78 59.32 2 0 1000.00 -999 ? >GLU~C 46 47.56 76.75 58.61 45.63 77.42 57.96 46.60 77.08 58.29 2 0 1000.00 -999 ? >ALA.C 47 52.00 73.42 55.76 53.35 73.87 55.19 52.67 73.65 55.47 2 0 1000.00 -999 ? >LYS.C 48 51.86 69.75 56.82 48.47 71.78 60.47 50.16 70.76 58.65 2 0 1000.00 -999 ? >THR~C 49 54.49 68.16 54.54 53.20 67.47 52.95 53.85 67.81 53.75 2 0 1000.00 -999 ? >LEU~C 50 59.30 68.36 53.74 60.26 67.97 55.64 59.78 68.17 54.69 3 0 1000.00 -999 ? >PRO~C 51 57.28 67.53 49.79 57.27 69.56 50.69 57.27 68.54 50.24 3 0 1000.00 -999 ? >ALA~C 52 54.17 72.01 50.87 52.90 71.54 51.59 53.53 71.77 51.23 2 0 1000.00 -999 ? >LEU~C 53 56.98 73.17 54.59 57.18 74.17 56.48 57.08 73.67 55.53 3 0 1000.00 -999 ? >GLU~C 54 61.16 73.13 50.69 62.20 71.63 49.62 61.68 72.38 50.15 2 0 1000.00 -999 ? >GLU~C 55 54.29 75.78 46.96 52.99 74.65 45.73 53.64 75.22 46.34 2 0 1000.00 -999 ? >ALA~C 56 54.84 78.20 50.69 54.03 77.83 51.92 54.44 78.01 51.30 2 0 1000.00 -999 ? >LEU~C 57 59.28 78.64 52.67 60.79 79.57 53.92 60.03 79.10 53.30 3 0 1000.00 -999 ? >ARG~C 58 61.63 79.42 46.08 64.03 81.07 47.03 62.83 80.25 46.56 2 0 1000.00 -999 ? >GLU~C 59 53.92 81.80 46.78 51.87 81.41 47.19 52.90 81.61 46.99 2 0 1000.00 -999 ? >ALA~C 60 56.70 84.01 51.01 56.76 83.42 52.42 56.73 83.71 51.72 2 0 1000.00 -999 ? >LEU~C 61 61.41 83.86 49.85 62.74 83.20 51.42 62.07 83.53 50.63 3 0 1000.00 -999 ? >LEU~C 62 59.17 85.76 45.38 57.35 84.92 44.65 58.26 85.34 45.02 3 0 1000.00 -999 ? >HIS~C 63 54.51 87.74 48.31 52.92 87.02 47.15 53.72 87.38 47.73 3 0 1000.00 -999 ? >LEU~C 64 60.33 88.60 51.70 61.25 89.15 53.58 60.79 88.88 52.64 3 0 1000.00 -999 ? >GLU~C 65 63.38 89.96 45.87 64.00 88.53 44.45 63.69 89.24 45.16 2 0 1000.00 -999 ? >GLU~C 66 56.80 93.08 45.62 57.46 94.24 43.96 57.13 93.66 44.79 2 0 1000.00 -999 ? >ARG~C 67 57.12 95.72 51.88 57.02 96.99 54.66 57.07 96.35 53.27 2 0 1000.00 -999 ? >ALA~C 68 62.48 95.03 49.76 63.54 93.95 49.82 63.01 94.49 49.79 2 0 1000.00 -999 ? >ALA~C 69 62.37 96.56 46.29 61.93 95.84 45.03 62.15 96.20 45.66 2 0 1000.00 -999 ? >GLN~C 70 57.35 97.51 47.09 55.76 96.56 48.16 56.55 97.03 47.62 2 0 1000.00 -999 ? >GLU~C 71 61.08 101.20 52.69 60.47 100.82 54.68 60.78 101.01 53.68 2 0 1000.00 -999 ? >PRO.C 72 64.13 100.62 47.06 64.44 100.13 49.20 64.28 100.37 48.13 3 0 1000.00 -999 ? >GLU.C 73 64.36 103.84 52.53 62.96 103.88 50.92 63.66 103.86 51.73 2 0 1000.00 -999 ? >GLU~C 74 63.77 99.11 56.49 64.82 100.17 57.98 64.29 99.64 57.23 2 0 1000.00 -999 ? >PRO~C 75 69.39 99.51 56.08 67.77 98.13 55.41 68.58 98.82 55.74 3 0 1000.00 -999 ? >TYR~C 76 63.96 94.89 59.15 62.51 92.80 60.33 63.23 93.85 59.74 3 0 1000.00 -999 ? >TRP~C 77 62.10 96.98 53.98 59.58 94.96 56.23 60.84 95.97 55.10 3 0 1000.00 -999 ? >ARG~C 78 68.58 95.46 50.61 69.91 97.97 51.74 69.24 96.71 51.17 2 0 1000.00 -999 ? >GLY~C 79 68.67 91.53 56.41 67.91 91.34 56.00 68.29 91.44 56.21 1 0 1000.00 -999 ? >LEU~C 80 64.03 90.27 56.87 62.25 89.33 57.66 63.14 89.80 57.26 3 0 1000.00 -999 ? >LEU~C 81 65.58 89.11 51.97 64.84 88.37 50.09 65.21 88.74 51.03 3 0 1000.00 -999 ? >LEU~C 82 70.37 88.09 54.00 72.47 87.98 53.45 71.42 88.04 53.73 3 0 1000.00 -999 ? >ALA~C 83 68.31 85.28 56.76 68.01 85.97 58.09 68.16 85.62 57.43 2 0 1000.00 -999 ? >VAL~C 84 65.07 83.61 55.72 62.95 84.17 55.81 64.01 83.89 55.76 3 0 1000.00 -999 ? >GLU~C 85 66.50 84.26 50.75 67.41 85.42 49.19 66.95 84.84 49.97 2 0 1000.00 -999 ? >ALA~C 86 69.47 80.88 54.72 70.34 81.63 55.72 69.91 81.26 55.22 2 0 1000.00 -999 ? >MET?C 87 66.71 79.13 56.67 67.20 79.54 59.96 66.95 79.33 58.32 2 0 1000.00 -999 ? >GLU~C 88 64.45 78.00 50.94 63.96 79.23 49.28 64.21 78.62 50.11 2 0 1000.00 -999 ? >GLY~C 89 68.56 76.43 52.74 68.03 76.31 53.39 68.30 76.37 53.06 1 0 1000.00 -999 ? >ARG~C 90 69.79 76.24 59.23 70.07 75.13 62.09 69.93 75.69 60.66 2 0 1000.00 -999 ? >LEU~C 91 63.60 74.28 55.00 61.54 73.65 55.06 62.57 73.96 55.03 3 0 1000.00 -999 ? >LYS~C 92 65.99 72.07 51.96 66.38 75.89 46.87 66.19 73.98 49.41 2 0 1000.00 -999 ? >ALA~C 93 68.76 70.15 53.74 69.87 70.76 54.61 69.31 70.46 54.18 2 0 1000.00 -999 ? >LEU~C 94 65.18 69.60 56.97 64.36 68.96 58.89 64.77 69.28 57.93 3 0 1000.00 -999 ? >ARG~C 95 62.27 68.23 49.96 60.25 68.16 47.66 61.26 68.20 48.81 2 0 1000.00 -999 ? >ALA~C 96 67.07 66.01 51.44 68.36 66.75 51.04 67.72 66.38 51.24 2 0 1000.00 -999 ? >GLU~C 97 69.35 65.63 56.05 69.38 66.89 57.77 69.36 66.26 56.91 2 0 1000.00 -999 ? >ALA~C 98 64.26 62.76 54.80 63.01 63.63 54.93 63.63 63.20 54.87 2 0 1000.00 -999 ? >GLU~C 99 64.81 62.25 48.62 62.89 61.53 48.10 63.85 61.89 48.36 2 0 1000.00 -999 ? >ALA~C 100 67.76 59.87 51.66 69.05 60.48 52.26 68.41 60.18 51.96 2 0 1000.00 -999 ? >LEU~C 101 65.69 58.64 55.86 65.14 57.53 57.63 65.41 58.09 56.75 3 0 1000.00 -999 ? >TYR~C 102 61.24 57.77 50.91 59.16 56.82 49.33 60.20 57.29 50.12 3 0 1000.00 -999 ? >GLN~C 103 65.75 57.72 48.00 67.15 58.65 46.66 66.45 58.18 47.33 2 0 1000.00 -999 ? >ASP~C 104 68.58 54.38 53.05 70.18 55.43 52.14 69.38 54.91 52.59 2 0 1000.00 -999 ? >LEU~C 105 63.32 52.90 54.26 62.78 53.59 56.23 63.05 53.24 55.24 3 0 1000.00 -999 ? >ASP~C 106 63.17 51.35 49.19 62.76 50.01 47.59 62.96 50.68 48.39 2 0 1000.00 -999 ? >ALA~C 107 67.24 49.66 49.75 68.42 50.62 49.68 67.83 50.14 49.71 2 0 1000.00 -999 ? >LEU~C 108 67.31 48.82 54.56 67.94 48.09 56.50 67.63 48.46 55.53 3 0 1000.00 -999 ? >HIS~C 109 61.96 45.73 51.60 60.53 44.25 51.19 61.24 44.99 51.40 3 0 1000.00 -999 ? >GLY~C 110 66.06 44.55 49.46 66.32 44.61 50.24 66.19 44.58 49.85 1 0 1000.00 -999 ? >ARG~C 111 71.95 44.69 50.21 74.29 42.75 50.48 73.12 43.72 50.34 2 0 1000.00 -999 ? >LEU~C 112 66.02 42.78 54.74 66.04 43.07 56.88 66.03 42.92 55.81 3 0 1000.00 -999 ? >HIS~C 113 63.19 40.20 51.37 61.39 40.68 52.34 62.29 40.44 51.85 3 0 1000.00 -999 ? >ARG~C 114 71.42 40.77 47.78 70.81 43.68 46.98 71.12 42.22 47.38 2 0 1000.00 -999 ? >LEU~C 115 71.37 39.41 54.17 73.09 40.64 53.79 72.23 40.03 53.98 3 0 1000.00 -999 ? >PHE~C 116 68.78 37.46 57.29 70.83 38.37 58.95 69.80 37.92 58.12 3 0 1000.00 -999 ? >PRO.C 117 68.39 34.47 51.23 66.86 34.61 52.83 67.63 34.54 52.03 3 0 1000.00 -999 ? >ALA.D 2 84.57 40.74 65.41 84.85 39.54 64.50 84.71 40.14 64.96 2 0 1000.00 -999 ? >CYH~D 3 83.07 44.14 64.55 82.04 44.84 67.09 82.55 44.49 65.82 2 0 1000.00 -999 ? >HIS~D 4 87.96 43.82 63.56 88.75 42.18 64.61 88.35 43.00 64.08 3 0 1000.00 -999 ? >GLU~D 5 83.76 46.36 58.71 84.33 44.42 59.36 84.05 45.39 59.03 2 0 1000.00 -999 ? >LEU~D 6 81.47 49.14 64.38 79.39 48.77 63.89 80.43 48.95 64.14 3 0 1000.00 -999 ? >SER~D 7 85.58 50.24 65.68 85.81 48.18 66.94 85.69 49.21 66.31 2 0 1000.00 -999 ? >ALA~D 8 87.55 51.67 62.77 87.90 50.93 61.49 87.73 51.30 62.13 2 0 1000.00 -999 ? >LEU~D 9 83.34 53.44 61.24 82.16 54.51 59.78 82.75 53.98 60.51 3 0 1000.00 -999 ? >ARG~D 10 82.46 54.11 68.59 82.63 55.59 71.27 82.55 54.85 69.93 2 0 1000.00 -999 ? >ILE~D 11 89.04 54.92 65.30 90.17 54.20 65.76 89.61 54.56 65.53 3 0 1000.00 -999 ? >ALA~D 12 87.95 57.97 62.35 87.63 57.43 60.97 87.79 57.70 61.66 2 0 1000.00 -999 ? >ILE~D 13 83.44 59.33 63.73 82.58 60.06 62.76 83.01 59.69 63.25 3 0 1000.00 -999 ? >GLY~D 14 86.37 60.28 66.92 86.64 60.54 66.18 86.50 60.41 66.55 1 0 1000.00 -999 ? >GLU~D 15 91.14 60.21 64.93 92.31 60.81 66.59 91.72 60.51 65.76 2 0 1000.00 -999 ? >LEU~D 16 86.08 63.85 62.32 85.31 64.87 60.57 85.69 64.36 61.44 3 0 1000.00 -999 ? >LEU~D 17 84.32 64.35 67.17 82.31 64.37 66.36 83.31 64.36 66.76 3 0 1000.00 -999 ? >GLU.D 18 89.91 67.73 67.80 90.10 69.84 68.02 90.00 68.78 67.91 2 0 1000.00 -999 ? >LYS.D 19 87.90 62.83 71.09 82.50 63.43 71.54 85.20 63.13 71.32 2 0 1000.00 -999 ? >GLU~D 20 89.90 63.66 75.59 89.84 63.98 77.66 89.87 63.82 76.63 2 0 1000.00 -999 ? >ALA~D 21 92.59 58.95 72.98 94.11 58.92 72.85 93.35 58.94 72.91 2 0 1000.00 -999 ? >HIS~D 22 90.50 58.67 78.16 88.70 59.50 78.85 89.60 59.09 78.50 3 0 1000.00 -999 ? >ASP~D 23 87.22 58.48 74.55 86.96 59.92 76.08 87.09 59.20 75.32 2 0 1000.00 -999 ? >LEU~D 24 89.46 55.92 70.70 88.19 57.15 69.45 88.83 56.54 70.08 3 0 1000.00 -999 ? >LEU~D 25 91.71 52.80 75.24 93.52 53.80 75.90 92.62 53.30 75.57 3 0 1000.00 -999 ? >HIS~D 26 86.54 49.16 73.45 84.95 48.71 72.15 85.75 48.93 72.80 3 0 1000.00 -999 ? >GLU~D 27 86.17 51.27 69.44 85.53 52.39 71.10 85.85 51.83 70.27 2 0 1000.00 -999 ? >ARG~D 28 93.85 54.04 69.20 92.65 56.79 68.55 93.25 55.42 68.87 2 0 1000.00 -999 ? >GLU~D 29 93.71 47.99 73.52 93.29 48.07 75.59 93.50 48.03 74.56 2 0 1000.00 -999 ? >GLU~D 30 88.33 44.54 70.89 86.93 45.55 72.12 87.63 45.05 71.50 2 0 1000.00 -999 ? >LEU~D 31 91.21 48.00 65.57 90.35 48.63 63.70 90.78 48.32 64.63 3 0 1000.00 -999 ? >ALA~D 32 95.19 46.09 66.84 95.75 46.12 68.26 95.47 46.10 67.55 2 0 1000.00 -999 ? >PRO.D 33 93.63 42.02 67.25 95.32 43.01 66.21 94.48 42.52 66.73 3 0 1000.00 -999 ? >VAL.D 34 94.17 42.84 62.34 92.02 42.66 62.73 93.09 42.75 62.53 3 0 1000.00 -999 ? >LEU.D 35 96.00 47.35 61.94 94.79 49.12 62.22 95.40 48.24 62.08 3 0 1000.00 -999 ? >GLY.D 36 98.50 44.38 59.66 97.71 44.25 59.49 98.11 44.31 59.57 1 0 1000.00 -999 ? >GLN.D 37 95.12 39.77 57.19 93.79 38.40 58.18 94.45 39.08 57.69 2 0 1000.00 -999 ? >ARG~D 38 91.16 42.02 57.51 89.01 43.76 56.19 90.09 42.89 56.85 2 0 1000.00 -999 ? >PRO~D 39 96.11 45.82 53.71 94.75 46.70 55.22 95.43 46.26 54.46 3 0 1000.00 -999 ? >GLU~D 40 89.71 47.26 54.16 90.79 45.46 54.03 90.25 46.36 54.09 2 0 1000.00 -999 ? >LEU~D 41 90.58 47.69 58.86 88.81 46.47 59.21 89.70 47.08 59.03 3 0 1000.00 -999 ? >LYS~D 42 93.85 50.83 58.65 99.10 52.46 59.57 96.47 51.64 59.11 2 0 1000.00 -999 ? >ARG~D 43 92.61 53.68 52.08 93.84 50.91 51.57 93.23 52.30 51.82 2 0 1000.00 -999 ? >LEU~D 44 88.38 52.46 57.63 86.24 52.58 58.00 87.31 52.52 57.82 3 0 1000.00 -999 ? >ALA~D 45 90.55 54.25 60.97 91.26 53.23 61.85 90.90 53.74 61.41 2 0 1000.00 -999 ? >GLU~D 46 95.11 55.34 60.17 97.11 54.85 59.66 96.11 55.10 59.91 2 0 1000.00 -999 ? >ALA~D 47 90.91 58.54 57.03 89.61 58.02 56.47 90.26 58.28 56.75 2 0 1000.00 -999 ? >LYS.D 48 91.05 62.30 57.69 97.24 62.59 59.10 94.14 62.45 58.39 2 0 1000.00 -999 ? >THR~D 49 88.47 63.44 55.11 89.77 63.68 53.41 89.12 63.56 54.26 2 0 1000.00 -999 ? >LEU~D 50 83.71 63.37 54.21 82.64 64.04 55.99 83.17 63.70 55.10 3 0 1000.00 -999 ? >PRO~D 51 85.79 63.28 50.17 85.67 61.46 51.44 85.73 62.37 50.81 3 0 1000.00 -999 ? >ALA~D 52 88.57 58.89 52.16 89.86 59.43 52.80 89.22 59.16 52.48 2 0 1000.00 -999 ? >LEU~D 53 85.62 58.62 55.96 85.50 58.30 58.08 85.56 58.46 57.02 3 0 1000.00 -999 ? >GLU~D 54 81.92 58.50 52.17 80.59 59.40 50.81 81.26 58.95 51.49 2 0 1000.00 -999 ? >GLU~D 55 88.27 54.61 48.73 89.57 55.46 47.31 88.92 55.04 48.02 2 0 1000.00 -999 ? >ALA~D 56 87.75 52.98 52.90 88.51 53.54 54.09 88.13 53.26 53.50 2 0 1000.00 -999 ? >LEU~D 57 83.26 52.89 54.86 81.82 52.13 56.30 82.54 52.51 55.58 3 0 1000.00 -999 ? >ARG~D 58 81.07 51.31 48.25 79.58 48.76 49.10 80.32 50.03 48.67 2 0 1000.00 -999 ? >GLU~D 59 88.84 48.28 50.38 90.67 49.12 49.67 89.75 48.70 50.02 2 0 1000.00 -999 ? >ALA~D 60 85.70 47.17 53.92 85.71 47.88 55.26 85.70 47.53 54.59 2 0 1000.00 -999 ? >LEU~D 61 81.02 47.38 52.65 79.54 48.08 54.06 80.28 47.73 53.36 3 0 1000.00 -999 ? >LEU~D 62 84.13 45.10 48.76 83.31 46.06 47.00 83.72 45.58 47.88 3 0 1000.00 -999 ? >HIS~D 63 87.52 41.91 53.57 88.32 40.46 54.86 87.92 41.18 54.21 3 0 1000.00 -999 ? >LEU~D 64 82.32 42.86 55.41 81.19 42.50 57.20 81.76 42.68 56.30 3 0 1000.00 -999 ? >GLU~D 65 78.84 40.81 49.95 77.76 42.00 48.61 78.30 41.40 49.28 2 0 1000.00 -999 ? >GLU~D 66 84.95 37.43 49.26 83.76 36.47 47.79 84.35 36.95 48.52 2 0 1000.00 -999 ? >ARG~D 67 84.76 35.44 56.28 87.40 36.62 57.33 86.08 36.03 56.80 2 0 1000.00 -999 ? >ALA~D 68 79.66 36.49 54.46 78.67 37.64 54.49 79.16 37.06 54.47 2 0 1000.00 -999 ? >ALA~D 69 79.40 34.82 51.04 79.81 35.44 49.70 79.60 35.13 50.37 2 0 1000.00 -999 ? >GLN~D 70 84.25 33.43 50.94 86.13 34.32 51.43 85.19 33.88 51.19 2 0 1000.00 -999 ? >GLU~D 71 82.70 31.24 56.36 83.91 31.88 57.97 83.31 31.56 57.16 2 0 1000.00 -999 ? >PRO.D 72 77.17 30.53 52.55 77.36 31.25 54.66 77.27 30.89 53.60 3 0 1000.00 -999 ? >GLU.D 73 78.55 28.07 58.34 79.65 28.21 56.54 79.10 28.14 57.44 2 0 1000.00 -999 ? >GLU~D 74 79.10 33.52 61.20 78.53 32.83 63.09 78.81 33.18 62.14 2 0 1000.00 -999 ? >PRO~D 75 73.91 33.37 62.52 74.89 34.09 60.67 74.40 33.73 61.60 3 0 1000.00 -999 ? >TYR~D 76 78.87 37.71 63.85 80.33 39.94 64.70 79.60 38.83 64.27 3 0 1000.00 -999 ? >TRP~D 77 80.67 35.13 58.43 83.32 37.29 60.38 81.99 36.21 59.40 3 0 1000.00 -999 ? >ARG~D 78 73.98 35.66 56.15 74.09 35.05 53.14 74.03 35.35 54.64 2 0 1000.00 -999 ? >GLY~D 79 74.10 40.74 60.81 74.83 40.87 60.34 74.47 40.80 60.57 1 0 1000.00 -999 ? >LEU~D 80 78.73 42.09 60.97 80.55 43.15 61.47 79.64 42.62 61.22 3 0 1000.00 -999 ? >LEU~D 81 76.58 42.37 55.98 77.34 42.46 53.97 76.96 42.41 54.97 3 0 1000.00 -999 ? >LEU~D 82 72.23 44.42 58.35 70.52 43.57 57.33 71.38 44.00 57.84 3 0 1000.00 -999 ? >ALA~D 83 74.82 47.16 60.57 75.46 46.60 61.83 75.14 46.88 61.20 2 0 1000.00 -999 ? >VAL~D 84 77.84 48.51 58.71 79.91 47.80 58.66 78.87 48.15 58.68 3 0 1000.00 -999 ? >GLU~D 85 76.02 47.16 53.91 74.98 45.80 52.64 75.50 46.48 53.27 2 0 1000.00 -999 ? >ALA~D 86 73.31 51.06 57.63 72.56 50.53 58.85 72.93 50.80 58.24 2 0 1000.00 -999 ? >MET?D 87 76.16 53.15 59.02 75.81 53.42 62.28 75.98 53.29 60.65 2 0 1000.00 -999 ? >GLU~D 88 78.15 53.19 53.08 78.62 51.68 51.66 78.39 52.43 52.37 2 0 1000.00 -999 ? >GLY~D 89 74.04 55.28 54.79 74.60 55.49 55.40 74.32 55.39 55.09 1 0 1000.00 -999 ? >ARG~D 90 73.14 56.41 61.10 72.62 58.05 63.63 72.88 57.23 62.37 2 0 1000.00 -999 ? >LEU~D 91 79.18 57.56 56.29 81.27 58.13 56.40 80.22 57.85 56.35 3 0 1000.00 -999 ? >LYS~D 92 76.82 59.38 53.01 77.37 56.47 48.62 77.10 57.93 50.82 2 0 1000.00 -999 ? >ALA~D 93 74.04 61.55 54.45 72.91 61.04 55.32 73.47 61.30 54.88 2 0 1000.00 -999 ? >LEU~D 94 77.54 62.62 57.67 78.38 63.59 59.42 77.96 63.10 58.55 3 0 1000.00 -999 ? >ARG~D 95 80.17 63.45 50.41 82.70 62.74 48.77 81.44 63.09 49.59 2 0 1000.00 -999 ? >ALA~D 96 75.81 65.08 51.58 74.56 64.25 51.31 75.18 64.67 51.45 2 0 1000.00 -999 ? >GLU~D 97 74.25 67.89 56.80 72.23 67.63 56.34 73.24 67.76 56.57 2 0 1000.00 -999 ? >ALA~D 98 78.68 68.86 54.17 79.92 68.04 54.36 79.30 68.45 54.26 2 0 1000.00 -999 ? >GLU~D 99 79.01 66.91 49.23 80.70 67.50 48.06 79.86 67.20 48.64 2 0 1000.00 -999 ? >ALA~D 100 75.20 71.19 50.62 73.86 70.68 51.16 74.53 70.94 50.89 2 0 1000.00 -999 ? >LEU~D 101 77.12 73.08 54.69 77.68 74.51 56.22 77.40 73.80 55.46 3 0 1000.00 -999 ? >TYR~D 102 81.44 73.04 49.45 83.41 73.72 47.57 82.43 73.38 48.51 3 0 1000.00 -999 ? >GLN~D 103 77.18 72.76 46.68 75.92 71.77 45.26 76.55 72.27 45.97 2 0 1000.00 -999 ? >ASP~D 104 74.09 76.82 51.05 72.55 75.56 50.23 73.32 76.19 50.64 2 0 1000.00 -999 ? >LEU~D 105 79.47 78.49 51.89 79.99 77.88 53.88 79.73 78.18 52.88 3 0 1000.00 -999 ? >ASP~D 106 79.53 79.21 46.73 79.75 80.12 44.83 79.64 79.66 45.78 2 0 1000.00 -999 ? >ALA~D 107 75.37 80.94 47.07 74.24 79.93 47.11 74.81 80.44 47.09 2 0 1000.00 -999 ? >LEU~D 108 75.38 82.48 51.71 74.58 83.40 53.50 74.98 82.94 52.60 3 0 1000.00 -999 ? >HIS~D 109 80.36 85.16 47.76 81.65 86.60 46.94 81.01 85.88 47.35 3 0 1000.00 -999 ? >GLY~D 110 76.31 85.94 45.94 76.06 85.98 46.73 76.19 85.96 46.33 1 0 1000.00 -999 ? >ARG~D 111 70.75 85.63 46.80 68.70 87.86 46.30 69.73 86.75 46.55 2 0 1000.00 -999 ? >LEU~D 112 76.33 88.52 51.23 76.90 89.35 53.14 76.61 88.93 52.19 3 0 1000.00 -999 ? >HIS~D 113 78.05 91.09 45.32 78.07 92.05 43.45 78.06 91.57 44.39 3 0 1000.00 -999 ? >ARG~D 114 71.44 89.76 43.12 71.40 86.77 42.43 71.42 88.27 42.78 2 0 1000.00 -999 ? >LEU~D 115 71.11 91.54 49.84 69.52 90.13 49.48 70.31 90.83 49.66 3 0 1000.00 -999 ? >PHE~D 116 73.78 93.83 52.86 71.66 93.35 54.63 72.72 93.59 53.74 3 0 1000.00 -999 ? >PRO.D 117 74.41 96.72 46.73 75.93 95.85 48.07 75.17 96.28 47.40 3 0 1000.00 -999 ?