REMARK SOURCE hebe.pdb HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 12-AUG-05 2AO9 COMPND PHAGE PROTEIN; COMPND 3 CHAIN: A, B, C, D, E, F, G, H, I; COMPND 4 SYNONYM: BACTERIOPHAGE PHBC6A51; COMPND 5 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS CEREUS; SOURCE 3 ORGANISM_TAXID: 226900; SOURCE 4 STRAIN: ATCC 14579; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 6 EXPRESSION_SYSTEM_TAXID: 469008; SOURCE 7 EXPRESSION_SYSTEM_STRAIN: BL21(DE3); SOURCE 8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 9 EXPRESSION_SYSTEM_PLASMID: PDM68 AUTHOR R.ZHANG,G.JOACHIMIAK,F.COLLART,A.JOACHIMIAK,MIDWEST CENTER FOR AUTHOR 2 STRUCTURAL GENOMICS (MCSG) >MET~A 13 86.69 -0.65 53.31 83.87 1.20 52.72 85.28 0.27 53.02 2 0 1000.00 -999 ? >MET~A 14 88.04 -0.96 56.88 87.63 -3.48 59.72 87.83 -2.22 58.30 2 0 1000.00 -999 ? >ALA~A 15 91.13 1.16 56.16 92.35 0.66 55.39 91.74 0.91 55.77 2 0 1000.00 -999 ? >LYS~A 16 89.22 3.63 53.94 87.77 2.49 48.33 88.49 3.06 51.14 2 0 1000.00 -999 ? >LEU~A 17 85.52 3.48 57.13 83.49 3.18 56.35 84.50 3.33 56.74 3 0 1000.00 -999 ? >ASP~A 18 90.44 3.54 59.56 89.73 2.20 61.04 90.08 2.87 60.30 2 0 1000.00 -999 ? >GLU~A 19 92.95 7.84 55.18 93.19 7.91 53.07 93.07 7.88 54.12 2 0 1000.00 -999 ? >LEU~A 20 87.08 9.04 55.54 87.08 9.16 53.35 87.08 9.10 54.44 3 0 1000.00 -999 ? >LYS~A 21 87.35 9.10 60.24 84.91 4.02 63.11 86.13 6.56 61.67 2 0 1000.00 -999 ? >GLN~A 22 92.21 11.21 59.43 94.23 11.05 58.74 93.22 11.13 59.09 2 0 1000.00 -999 ? >LYS.A 23 89.36 14.34 60.40 91.13 12.52 55.68 90.24 13.43 58.04 2 0 1000.00 -999 ? >LEU.A 24 84.90 13.35 61.39 84.09 13.76 59.41 84.49 13.55 60.40 3 0 1000.00 -999 ? >THR~A 25 84.65 14.47 65.68 83.85 16.48 65.90 84.25 15.48 65.79 2 0 1000.00 -999 ? >ALA~A 26 82.66 11.71 67.36 82.75 11.32 68.83 82.71 11.51 68.10 2 0 1000.00 -999 ? >LYS~A 27 79.53 13.82 66.87 75.68 13.80 69.79 77.60 13.81 68.33 2 0 1000.00 -999 ? >GLN~A 28 81.41 16.50 62.66 83.20 17.54 62.15 82.30 17.02 62.40 2 0 1000.00 -999 ? >ILE~A 29 81.81 9.59 63.35 82.95 8.89 63.42 82.38 9.24 63.38 3 0 1000.00 -999 ? >GLN~A 30 75.73 9.89 66.50 75.22 10.72 68.42 75.47 10.30 67.46 2 0 1000.00 -999 ? >ALA~A 31 75.76 12.48 62.27 76.21 13.94 62.17 75.99 13.21 62.22 2 0 1000.00 -999 ? >ALA~A 32 77.05 10.77 59.10 78.50 10.54 58.74 77.77 10.66 58.92 2 0 1000.00 -999 ? >TYR~A 33 77.35 5.70 61.03 79.57 4.16 60.33 78.46 4.93 60.68 3 0 1000.00 -999 ? >LEU~A 34 72.06 10.07 62.25 70.30 10.17 63.56 71.18 10.12 62.91 3 0 1000.00 -999 ? >LEU~A 35 72.78 11.70 57.25 72.63 13.86 57.51 72.70 12.78 57.38 3 0 1000.00 -999 ? >VAL~A 36 72.69 7.40 55.94 74.55 6.58 55.02 73.62 6.99 55.48 3 0 1000.00 -999 ? >GLU~A 37 71.47 4.12 60.31 72.18 4.54 62.28 71.83 4.33 61.29 2 0 1000.00 -999 ? >ASN~A 38 67.66 9.18 57.78 65.74 10.09 57.91 66.70 9.63 57.85 2 0 1000.00 -999 ? >GLU~A 39 68.57 9.20 52.95 66.71 9.71 52.06 67.64 9.46 52.51 2 0 1000.00 -999 ? >LEU~A 40 70.61 3.34 53.29 71.12 4.01 51.23 70.87 3.67 52.26 3 0 1000.00 -999 ? >MET~A 41 67.74 1.44 56.64 70.17 -0.85 57.37 68.96 0.30 57.00 2 0 1000.00 -999 ? >GLU.A 42 65.07 -2.57 55.48 67.04 -3.30 55.95 66.05 -2.94 55.72 2 0 1000.00 -999 ? >GLU.A 46 53.45 6.34 58.23 51.75 6.99 59.33 52.60 6.67 58.78 2 0 1000.00 -999 ? >GLU.A 47 55.94 10.09 56.96 55.57 9.81 54.88 55.76 9.95 55.92 2 0 1000.00 -999 ? >LYS.A 48 61.85 9.25 57.42 64.20 11.52 51.92 63.03 10.39 54.67 2 0 1000.00 -999 ? >ARG.A 49 65.65 10.02 62.30 65.99 7.00 61.83 65.82 8.51 62.06 2 0 1000.00 -999 ? >THR~A 50 63.40 15.50 58.97 61.72 16.57 59.86 62.56 16.04 59.41 2 0 1000.00 -999 ? >GLN~A 51 67.27 18.11 56.75 68.88 16.72 56.52 68.08 17.42 56.64 2 0 1000.00 -999 ? >ASP~A 52 64.21 20.12 62.44 64.46 21.92 61.31 64.34 21.02 61.88 2 0 1000.00 -999 ? >GLU~A 53 62.01 15.31 63.74 60.55 14.25 62.63 61.28 14.78 63.18 2 0 1000.00 -999 ? >MET~A 54 67.96 14.51 63.28 68.49 12.24 59.75 68.23 13.37 61.51 2 0 1000.00 -999 ? >ALA~A 55 69.65 17.77 64.42 69.34 19.18 63.89 69.49 18.47 64.16 2 0 1000.00 -999 ? >ASN~A 56 66.18 17.52 67.86 65.47 19.51 68.04 65.82 18.52 67.95 2 0 1000.00 -999 ? >GLU~A 57 66.97 12.06 67.04 66.70 10.46 65.68 66.84 11.26 66.36 2 0 1000.00 -999 ? >LEU~A 58 72.93 15.10 66.36 73.44 13.80 64.68 73.18 14.45 65.52 3 0 1000.00 -999 ? >GLY~A 59 71.88 17.64 70.13 72.16 17.70 69.35 72.02 17.67 69.74 1 0 1000.00 -999 ? >ILE.A 60 74.16 19.65 66.50 74.81 18.70 65.66 74.48 19.18 66.08 3 0 1000.00 -999 ? >ASN~A 61 72.26 24.65 66.00 70.85 26.20 65.61 71.55 25.43 65.81 2 0 1000.00 -999 ? >ARG~A 62 67.06 24.12 63.96 64.40 25.14 62.81 65.73 24.63 63.38 2 0 1000.00 -999 ? >THR~A 63 72.55 25.44 61.08 72.36 27.32 62.15 72.46 26.38 61.62 2 0 1000.00 -999 ? >THR~A 64 75.39 23.18 62.29 76.32 22.89 64.23 75.85 23.03 63.26 2 0 1000.00 -999 ? >LEU~A 65 72.64 19.40 60.81 72.15 17.33 60.22 72.39 18.37 60.51 3 0 1000.00 -999 ? >TRP~A 66 71.69 23.71 54.79 74.38 26.48 53.95 73.04 25.10 54.37 3 0 1000.00 -999 ? >GLU~A 67 77.25 25.72 58.74 78.62 26.91 57.65 77.94 26.31 58.20 2 0 1000.00 -999 ? >TRP~A 68 79.54 20.46 60.65 78.50 18.15 63.68 79.02 19.31 62.17 3 0 1000.00 -999 ? >ARG~A 69 72.78 17.29 55.63 70.82 17.42 53.25 71.80 17.35 54.44 2 0 1000.00 -999 ? >THR~A 70 77.26 21.75 52.83 75.82 23.35 52.50 76.54 22.55 52.67 2 0 1000.00 -999 ? >LYS~A 71 80.79 22.94 53.60 79.07 28.79 55.06 79.93 25.86 54.33 2 0 1000.00 -999 ? >ASN~A 72 82.42 19.74 56.80 84.01 18.74 57.83 83.21 19.24 57.32 2 0 1000.00 -999 ? >GLN~A 73 84.96 19.73 50.65 83.29 19.17 49.43 84.13 19.45 50.04 2 0 1000.00 -999 ? >ASP~A 74 86.69 15.86 56.20 88.54 16.65 55.52 87.61 16.26 55.86 2 0 1000.00 -999 ? >PHE~A 75 79.96 15.60 57.55 77.44 14.72 58.39 78.70 15.16 57.97 3 0 1000.00 -999 ? >ILE~A 76 80.70 15.78 51.82 80.05 16.72 50.91 80.37 16.25 51.37 3 0 1000.00 -999 ? >ALA~A 77 83.48 12.25 51.84 84.95 12.60 51.72 84.21 12.42 51.78 2 0 1000.00 -999 ? >PHE~A 78 83.00 9.40 57.40 82.41 7.37 59.23 82.71 8.38 58.32 3 0 1000.00 -999 ? >LYS~A 79 79.28 10.03 54.69 75.75 12.97 52.78 77.51 11.50 53.74 2 0 1000.00 -999 ? >SER~A 80 79.58 8.93 51.02 79.42 10.77 49.45 79.50 9.85 50.24 2 0 1000.00 -999 ? >GLU~A 81 84.14 5.01 52.33 84.12 4.61 50.23 84.13 4.81 51.28 2 0 1000.00 -999 ? >VAL~A 82 79.22 5.12 54.75 78.72 5.77 56.79 78.97 5.44 55.77 3 0 1000.00 -999 ? >ALA~A 83 76.54 5.30 52.00 76.28 6.52 51.11 76.41 5.91 51.56 2 0 1000.00 -999 ? >ASP~A 84 80.03 3.08 49.39 80.26 4.56 47.90 80.15 3.82 48.65 2 0 1000.00 -999 ? >SER~A 85 78.80 0.47 52.80 79.48 -0.36 54.98 79.14 0.05 53.89 2 0 1000.00 -999 ? >PHE~A 86 74.21 1.99 55.43 74.29 2.44 58.21 74.25 2.21 56.82 3 0 1000.00 -999 ? >LEU~A 87 74.67 0.92 48.65 73.60 1.00 46.77 74.14 0.96 47.71 3 0 1000.00 -999 ? >ALA~A 88 76.87 -2.89 49.61 78.34 -2.76 50.00 77.61 -2.83 49.80 2 0 1000.00 -999 ? >GLU~A 89 74.87 -5.18 55.03 72.79 -5.41 55.36 73.83 -5.30 55.19 2 0 1000.00 -999 ? >LYS~A 90 71.91 -4.99 50.56 69.78 -1.47 54.04 70.85 -3.23 52.30 2 0 1000.00 -999 ? >ARG~A 91 76.58 -9.32 46.77 79.52 -8.58 46.31 78.05 -8.95 46.54 2 0 1000.00 -999 ? >GLU~A 92 70.81 -10.98 51.58 72.24 -9.88 52.70 71.52 -10.43 52.14 2 0 1000.00 -999 ? >GLN~A 93 67.79 -7.38 51.22 67.25 -5.61 52.29 67.52 -6.50 51.76 2 0 1000.00 -999 ? >VAL~A 94 69.06 -7.38 45.37 70.29 -5.75 44.53 69.67 -6.56 44.95 3 0 1000.00 -999 ? >TYR~A 95 72.38 -11.56 44.72 75.05 -11.03 44.06 73.71 -11.30 44.39 3 0 1000.00 -999 ? >SER~A 96 66.46 -12.13 45.77 64.72 -12.53 47.38 65.59 -12.33 46.58 2 0 1000.00 -999 ? >LYS~A 97 64.62 -9.77 43.40 60.50 -8.14 45.54 62.56 -8.95 44.47 2 0 1000.00 -999 ? >LEU~A 98 68.43 -10.89 40.56 69.76 -10.81 38.84 69.10 -10.85 39.70 3 0 1000.00 -999 ? >MET~A 99 65.90 -14.47 41.07 68.58 -16.48 40.67 67.24 -15.48 40.87 2 0 1000.00 -999 ? >GLN~A 100 61.50 -13.11 43.92 60.93 -11.53 45.25 61.22 -12.32 44.58 2 0 1000.00 -999 ? >LEU~A 101 63.09 -10.66 37.56 62.28 -8.65 37.71 62.68 -9.66 37.64 3 0 1000.00 -999 ? >ILE~A 102 65.50 -15.46 36.82 66.89 -15.74 36.54 66.19 -15.60 36.68 3 0 1000.00 -999 ? >LEU~A 103 62.28 -18.33 39.26 64.10 -19.51 39.53 63.19 -18.92 39.39 3 0 1000.00 -999 ? >GLY~A 104 58.50 -15.83 38.22 58.80 -16.10 37.51 58.65 -15.96 37.86 1 0 1000.00 -999 ? >PRO.A 105 54.25 -15.02 37.70 55.93 -15.80 36.41 55.09 -15.41 37.05 3 0 1000.00 -999 ? >GLN.A 106 54.72 -11.49 34.17 53.82 -9.54 34.00 54.27 -10.51 34.08 2 0 1000.00 -999 ? >PRO.A 107 59.43 -16.11 32.27 59.78 -14.18 33.37 59.61 -15.14 32.82 3 0 1000.00 -999 ? >SER~A 108 63.04 -11.58 32.53 64.30 -9.58 33.07 63.67 -10.58 32.80 2 0 1000.00 -999 ? >VAL~A 109 65.70 -12.40 29.93 65.60 -13.31 27.95 65.65 -12.85 28.94 3 0 1000.00 -999 ? >LYS~A 110 67.47 -9.18 30.93 70.94 -5.31 29.87 69.21 -7.25 30.40 2 0 1000.00 -999 ? >ALA~A 111 67.66 -10.50 34.53 66.49 -10.80 35.45 67.07 -10.65 34.99 2 0 1000.00 -999 ? >MET~A 112 69.07 -13.80 33.13 66.32 -16.50 31.36 67.69 -15.15 32.25 2 0 1000.00 -999 ? >GLN~A 113 72.81 -9.94 29.87 72.42 -8.11 28.81 72.61 -9.03 29.34 2 0 1000.00 -999 ? >LEU~A 114 71.80 -9.14 35.41 71.53 -7.05 35.04 71.67 -8.10 35.22 3 0 1000.00 -999 ? >TYR~A 115 72.18 -15.72 37.14 73.04 -17.99 38.54 72.61 -16.85 37.84 3 0 1000.00 -999 ? >MET~A 116 75.14 -14.82 33.67 72.64 -16.72 30.77 73.89 -15.77 32.22 2 0 1000.00 -999 ? >GLN~A 117 76.68 -10.07 31.81 76.06 -8.10 31.36 76.37 -9.08 31.58 2 0 1000.00 -999 ? >ARG~A 118 77.58 -11.05 40.49 80.36 -11.32 41.83 78.97 -11.18 41.16 2 0 1000.00 -999 ? >PHE~A 119 78.15 -16.39 38.58 76.62 -16.13 40.91 77.38 -16.26 39.74 3 0 1000.00 -999 ? >GLY.A 120 81.39 -14.14 33.71 80.85 -14.76 33.84 81.12 -14.45 33.77 1 0 1000.00 -999 ? >LEU.A 121 78.23 -17.48 32.39 78.23 -18.76 34.16 78.23 -18.12 33.28 3 0 1000.00 -999 ? >LEU.A 122 77.95 -13.74 28.55 75.82 -14.01 28.89 76.88 -13.88 28.72 3 0 1000.00 -999 ? >THR^A 123 81.64 -14.70 25.85 83.32 -16.09 25.71 82.48 -15.39 25.78 2 0 1000.00 -999 ? >ASP^A 124 81.66 -11.07 22.66 79.75 -10.61 23.36 80.70 -10.84 23.01 2 0 1000.00 -999 ? >LYS^A 125 84.57 -13.68 20.20 86.00 -19.65 20.83 85.29 -16.66 20.51 2 0 1000.00 -999 ? >LYS^A 126 86.50 -11.25 18.01 82.42 -8.29 20.04 84.46 -9.77 19.03 2 0 1000.00 -999 ? >VAL^A 127 88.73 -11.74 15.00 88.75 -13.43 13.59 88.74 -12.59 14.30 3 0 1000.00 -999 ? >ILE^A 128 91.56 -7.95 15.96 91.73 -6.81 16.93 91.64 -7.38 16.44 3 0 1000.00 -999 ? >GLU^A 129 92.27 -7.90 8.90 91.05 -7.44 7.23 91.66 -7.67 8.06 2 0 1000.00 -999 ? >GLY^A 130 94.18 -4.41 10.05 94.67 -4.95 10.46 94.43 -4.68 10.25 1 0 1000.00 -999 ? >ASP.A 131 98.21 -2.26 10.38 100.16 -2.96 10.91 99.18 -2.61 10.65 2 0 1000.00 -999 ? >LEU.A 132 98.53 0.68 14.44 99.65 1.63 12.81 99.09 1.15 13.62 3 0 1000.00 -999 ? >MET~B 14 88.70 26.54 4.85 87.64 29.26 3.28 88.17 27.90 4.06 2 0 1000.00 -999 ? >ALA~B 15 91.70 24.32 3.96 92.74 23.79 4.96 92.22 24.06 4.46 2 0 1000.00 -999 ? >LYS~B 16 89.80 21.20 2.82 90.48 17.42 5.09 90.14 19.31 3.95 2 0 1000.00 -999 ? >LEU~B 17 86.31 24.33 1.43 84.21 24.17 2.03 85.26 24.25 1.73 3 0 1000.00 -999 ? >ASP~B 18 90.89 26.28 -0.38 89.86 27.95 0.48 90.37 27.11 0.05 2 0 1000.00 -999 ? >GLU~B 19 92.96 19.74 -1.22 92.65 18.09 0.09 92.80 18.91 -0.56 2 0 1000.00 -999 ? >LEU~B 20 87.51 19.86 -2.39 87.31 17.99 -1.25 87.41 18.92 -1.82 3 0 1000.00 -999 ? >LYS~B 21 87.70 23.66 -4.93 85.97 29.18 -2.95 86.84 26.42 -3.94 2 0 1000.00 -999 ? >GLN~B 22 93.41 22.81 -7.40 95.42 22.85 -6.63 94.41 22.83 -7.02 2 0 1000.00 -999 ? >LYS.B 23 89.78 20.70 -9.21 93.28 18.70 -6.00 91.53 19.70 -7.61 2 0 1000.00 -999 ? >LEU.B 24 85.46 22.50 -9.09 84.66 20.94 -7.80 85.06 21.72 -8.45 3 0 1000.00 -999 ? >THR~B 25 85.32 25.09 -12.60 84.30 24.21 -14.30 84.81 24.65 -13.45 2 0 1000.00 -999 ? >ALA~B 26 83.65 28.29 -11.40 83.83 29.67 -12.03 83.74 28.98 -11.72 2 0 1000.00 -999 ? >LYS~B 27 80.24 26.99 -12.59 76.57 30.37 -13.76 78.40 28.68 -13.17 2 0 1000.00 -999 ? >GLN~B 28 81.65 21.83 -12.41 83.38 20.76 -13.06 82.52 21.30 -12.74 2 0 1000.00 -999 ? >ILE~B 29 82.71 26.40 -7.30 83.91 26.81 -6.87 83.31 26.60 -7.08 3 0 1000.00 -999 ? >GLN~B 30 76.98 29.42 -9.14 76.53 30.56 -10.89 76.76 29.99 -10.02 2 0 1000.00 -999 ? >ALA~B 31 76.36 24.49 -8.73 76.63 23.50 -9.87 76.49 23.99 -9.30 2 0 1000.00 -999 ? >ALA~B 32 77.59 22.79 -5.52 79.04 22.50 -5.15 78.32 22.65 -5.33 2 0 1000.00 -999 ? >TYR~B 33 78.40 27.22 -2.49 80.67 27.29 -0.87 79.54 27.25 -1.68 3 0 1000.00 -999 ? >LEU~B 34 72.93 26.30 -6.57 71.23 27.43 -7.37 72.08 26.86 -6.97 3 0 1000.00 -999 ? >LEU~B 35 73.15 21.14 -5.15 72.83 20.08 -7.03 72.99 20.61 -6.09 3 0 1000.00 -999 ? >VAL~B 36 73.32 22.55 -0.88 75.16 22.12 0.24 74.24 22.33 -0.32 3 0 1000.00 -999 ? >GLU~B 37 73.02 27.88 -0.69 73.45 29.55 -1.93 73.24 28.71 -1.31 2 0 1000.00 -999 ? >ASN~B 38 68.28 23.60 -3.11 66.34 23.41 -3.93 67.31 23.51 -3.52 2 0 1000.00 -999 ? >GLU~B 39 68.91 19.50 -0.49 67.00 18.61 -0.37 67.95 19.06 -0.43 2 0 1000.00 -999 ? >LEU~B 40 71.56 22.79 4.12 71.89 20.74 4.96 71.73 21.77 4.54 3 0 1000.00 -999 ? >MET~B 41 68.93 26.81 3.99 71.63 28.55 5.31 70.28 27.68 4.65 2 0 1000.00 -999 ? >GLU.B 42 64.75 30.90 3.29 64.47 31.69 1.32 64.61 31.29 2.30 2 0 1000.00 -999 ? >GLU.B 47 65.36 20.28 -4.00 67.05 19.04 -4.46 66.20 19.66 -4.23 2 0 1000.00 -999 ? >LYS.B 48 62.24 23.64 -2.82 61.61 29.34 -3.00 61.92 26.49 -2.91 2 0 1000.00 -999 ? >ARG.B 49 65.96 27.52 -6.66 67.69 28.01 -4.14 66.83 27.76 -5.40 2 0 1000.00 -999 ? >THR~B 50 63.61 21.57 -8.87 62.67 21.24 -10.78 63.14 21.40 -9.83 2 0 1000.00 -999 ? >GLN~B 51 67.08 17.72 -9.94 68.90 18.01 -8.84 67.99 17.86 -9.39 2 0 1000.00 -999 ? >ASP~B 52 64.17 21.67 -14.67 64.12 19.78 -15.65 64.14 20.73 -15.16 2 0 1000.00 -999 ? >GLU~B 53 62.61 25.60 -11.40 61.29 25.64 -9.75 61.95 25.62 -10.57 2 0 1000.00 -999 ? >MET~B 54 68.53 25.00 -10.65 69.02 23.35 -6.79 68.78 24.17 -8.72 2 0 1000.00 -999 ? >ALA~B 55 70.00 24.15 -14.08 69.65 22.94 -14.95 69.83 23.54 -14.52 2 0 1000.00 -999 ? >ASN~B 56 66.65 27.37 -15.65 66.10 29.21 -16.58 66.37 28.29 -16.11 2 0 1000.00 -999 ? >GLU~B 57 69.30 30.40 -10.37 68.66 30.07 -8.37 68.98 30.23 -9.37 2 0 1000.00 -999 ? >LEU~B 58 73.54 26.83 -13.04 74.17 26.00 -11.13 73.85 26.42 -12.08 3 0 1000.00 -999 ? >GLY~B 59 72.59 28.68 -17.24 72.84 28.01 -16.82 72.72 28.35 -17.03 1 0 1000.00 -999 ? >ILE.B 60 74.53 24.35 -16.97 75.17 24.15 -15.68 74.85 24.25 -16.33 3 0 1000.00 -999 ? >ASN~B 61 72.43 21.23 -20.73 70.97 20.15 -21.89 71.70 20.69 -21.31 2 0 1000.00 -999 ? >ARG~B 62 67.42 18.62 -15.63 68.92 16.77 -13.74 68.17 17.70 -14.68 2 0 1000.00 -999 ? >THR~B 63 72.10 16.93 -18.84 71.81 16.90 -20.99 71.96 16.92 -19.91 2 0 1000.00 -999 ? >THR~B 64 75.20 18.79 -17.66 76.32 20.43 -18.50 75.76 19.61 -18.08 2 0 1000.00 -999 ? >LEU~B 65 72.71 19.80 -13.54 72.39 20.52 -11.49 72.55 20.16 -12.51 3 0 1000.00 -999 ? >TRP~B 66 73.04 12.20 -15.57 69.72 10.79 -13.95 71.38 11.49 -14.76 3 0 1000.00 -999 ? >GLU~B 67 78.63 14.52 -17.09 79.24 15.25 -18.98 78.93 14.88 -18.03 2 0 1000.00 -999 ? >TRP~B 68 79.42 18.45 -14.60 78.71 22.30 -14.27 79.06 20.37 -14.44 3 0 1000.00 -999 ? >ARG~B 69 72.64 16.50 -9.11 70.55 14.71 -7.67 71.60 15.60 -8.39 2 0 1000.00 -999 ? >THR~B 70 76.67 11.29 -11.23 74.98 11.10 -12.58 75.82 11.20 -11.90 2 0 1000.00 -999 ? >LYS~B 71 80.08 11.19 -12.94 78.85 7.42 -17.36 79.46 9.31 -15.15 2 0 1000.00 -999 ? >ASN~B 72 82.06 15.42 -11.85 83.82 16.61 -11.72 82.94 16.01 -11.79 2 0 1000.00 -999 ? >GLN~B 73 84.52 10.13 -8.79 82.79 9.46 -7.71 83.65 9.79 -8.25 2 0 1000.00 -999 ? >ASP~B 74 86.58 16.73 -8.61 88.46 15.77 -8.86 87.52 16.25 -8.74 2 0 1000.00 -999 ? >PHE~B 75 79.99 18.45 -8.80 77.59 19.86 -8.43 78.79 19.16 -8.61 3 0 1000.00 -999 ? >ILE~B 76 80.46 13.59 -5.84 79.69 12.37 -6.11 80.07 12.98 -5.98 3 0 1000.00 -999 ? >ALA~B 77 83.46 15.33 -2.97 84.94 14.93 -3.20 84.20 15.13 -3.09 2 0 1000.00 -999 ? >PHE~B 78 83.53 21.58 -3.73 83.30 24.30 -3.05 83.42 22.94 -3.39 3 0 1000.00 -999 ? >LYS~B 79 79.59 19.28 -2.58 75.65 16.50 -3.82 77.62 17.89 -3.20 2 0 1000.00 -999 ? >SER~B 80 79.78 16.87 0.39 79.40 14.58 -0.27 79.59 15.72 0.06 2 0 1000.00 -999 ? >GLU~B 81 84.65 20.11 2.63 84.92 18.80 4.29 84.79 19.46 3.46 2 0 1000.00 -999 ? >VAL~B 82 79.99 22.17 1.41 79.59 23.57 -0.26 79.79 22.87 0.57 3 0 1000.00 -999 ? >ALA~B 83 77.11 20.13 2.94 76.65 18.76 2.48 76.88 19.45 2.71 2 0 1000.00 -999 ? >ASP~B 84 80.68 18.96 6.11 80.69 16.88 5.77 80.68 17.92 5.94 2 0 1000.00 -999 ? >SER~B 85 79.90 23.33 6.34 80.77 25.54 5.76 80.34 24.44 6.05 2 0 1000.00 -999 ? >PHE~B 86 75.25 25.05 3.92 75.29 27.06 1.96 75.27 26.05 2.94 3 0 1000.00 -999 ? >LEU~B 87 75.59 20.03 8.60 74.48 18.47 9.65 75.03 19.25 9.12 3 0 1000.00 -999 ? >ALA~B 88 78.17 22.79 11.11 79.66 22.93 10.71 78.91 22.86 10.91 2 0 1000.00 -999 ? >GLU~B 89 76.44 28.68 10.01 74.41 29.25 10.24 75.42 28.96 10.12 2 0 1000.00 -999 ? >LYS~B 90 73.44 25.13 12.56 71.03 26.25 7.79 72.23 25.69 10.17 2 0 1000.00 -999 ? >ARG~B 91 78.39 23.94 18.03 81.27 22.99 17.53 79.83 23.47 17.78 2 0 1000.00 -999 ? >GLU~B 92 72.90 29.34 17.12 74.07 29.55 15.35 73.48 29.45 16.24 2 0 1000.00 -999 ? >GLN~B 93 69.57 27.36 14.54 68.94 27.33 12.51 69.26 27.34 13.52 2 0 1000.00 -999 ? >VAL~B 94 70.58 22.35 17.64 71.63 20.68 16.64 71.10 21.51 17.14 3 0 1000.00 -999 ? >TYR~B 95 74.31 23.89 21.25 76.91 22.91 21.04 75.61 23.40 21.14 3 0 1000.00 -999 ? >SER~B 96 68.55 25.48 21.56 66.86 27.12 21.14 67.71 26.30 21.35 2 0 1000.00 -999 ? >LYS~B 97 66.39 22.37 20.88 63.81 25.78 18.37 65.10 24.07 19.63 2 0 1000.00 -999 ? >LEU~B 98 70.11 20.12 23.13 71.39 18.57 23.97 70.75 19.35 23.55 3 0 1000.00 -999 ? >MET~B 99 67.93 22.75 26.05 70.73 23.17 27.77 69.33 22.96 26.91 2 0 1000.00 -999 ? >GLN~B 100 63.62 24.75 23.48 62.92 25.10 21.51 63.27 24.92 22.49 2 0 1000.00 -999 ? >LEU~B 101 64.60 18.10 24.89 63.76 17.08 23.19 64.18 17.59 24.04 3 0 1000.00 -999 ? >ILE~B 102 67.34 19.79 29.18 68.71 19.51 29.53 68.02 19.65 29.36 3 0 1000.00 -999 ? >LEU~B 103 64.39 23.70 30.17 66.27 24.44 31.02 65.33 24.07 30.60 3 0 1000.00 -999 ? >GLY~B 104 60.37 21.51 28.98 60.69 21.13 29.64 60.53 21.32 29.31 1 0 1000.00 -999 ? >PRO.B 105 56.18 20.32 28.64 57.82 20.22 30.23 57.00 20.27 29.43 3 0 1000.00 -999 ? >GLN.B 106 56.64 15.82 28.95 55.75 14.86 27.26 56.20 15.34 28.11 2 0 1000.00 -999 ? >PRO.B 107 61.87 17.83 32.92 61.86 16.77 30.95 61.86 17.30 31.94 3 0 1000.00 -999 ? >SER~B 108 64.50 14.45 28.57 65.43 13.79 26.40 64.97 14.12 27.48 2 0 1000.00 -999 ? >VAL~B 109 67.18 12.29 30.27 67.10 10.96 31.99 67.14 11.62 31.13 3 0 1000.00 -999 ? >LYS~B 110 68.65 11.32 26.90 70.42 9.68 22.15 69.54 10.50 24.53 2 0 1000.00 -999 ? >ALA~B 111 69.08 15.07 26.18 67.97 16.12 26.01 68.52 15.59 26.10 2 0 1000.00 -999 ? >MET~B 112 70.75 15.48 29.60 68.16 15.55 32.95 69.45 15.51 31.27 2 0 1000.00 -999 ? >GLN~B 113 73.98 10.36 27.85 73.45 8.60 26.80 73.72 9.48 27.33 2 0 1000.00 -999 ? >LEU~B 114 73.20 14.75 24.29 72.74 13.35 22.69 72.97 14.05 23.49 3 0 1000.00 -999 ? >TYR~B 115 74.16 19.65 28.83 75.26 22.01 29.88 74.71 20.83 29.36 3 0 1000.00 -999 ? >MET~B 116 76.92 15.98 29.91 74.44 14.59 33.20 75.68 15.28 31.56 2 0 1000.00 -999 ? >GLN~B 117 77.88 11.79 26.90 77.17 10.30 25.57 77.53 11.05 26.23 2 0 1000.00 -999 ? >ARG~B 118 79.28 19.52 22.92 82.03 20.81 22.31 80.65 20.16 22.62 2 0 1000.00 -999 ? >PHE~B 119 80.08 20.86 28.41 78.81 22.87 26.93 79.44 21.87 27.67 3 0 1000.00 -999 ? >GLY.B 120 83.04 15.36 29.13 82.52 15.79 29.60 82.78 15.57 29.37 1 0 1000.00 -999 ? >LEU.B 121 80.05 16.06 32.80 80.14 18.23 32.94 80.09 17.15 32.87 3 0 1000.00 -999 ? >LEU.B 122 79.55 10.84 31.60 77.46 11.45 31.77 78.51 11.14 31.68 3 0 1000.00 -999 ? >THR^B 123 83.23 8.78 33.58 85.06 9.45 34.53 84.15 9.11 34.06 2 0 1000.00 -999 ? >ASP^B 124 82.62 4.15 32.77 80.57 4.58 32.48 81.59 4.37 32.63 2 0 1000.00 -999 ? >LYS^B 125 85.75 2.76 35.52 86.11 4.06 41.65 85.93 3.41 38.58 2 0 1000.00 -999 ? >LYS^B 126 86.94 -0.04 33.28 86.90 0.46 27.14 86.92 0.21 30.21 2 0 1000.00 -999 ? >VAL^B 127 88.61 -3.08 34.90 88.50 -3.70 37.01 88.55 -3.39 35.95 3 0 1000.00 -999 ? >ILE^B 128 91.26 -4.60 31.29 91.34 -4.03 29.98 91.30 -4.32 30.64 3 0 1000.00 -999 ? >GLU^B 129 91.32 -9.57 35.77 90.43 -7.94 36.74 90.88 -8.76 36.25 2 0 1000.00 -999 ? >GLY.B 130 93.40 -11.62 31.42 93.82 -10.94 31.44 93.61 -11.28 31.43 1 0 1000.00 -999 ? >ASP.B 131 97.28 -13.53 29.40 96.14 -15.34 29.50 96.71 -14.44 29.45 2 0 1000.00 -999 ? >MET~C 14 87.04 -14.30 -8.69 87.74 -11.62 -11.86 87.39 -12.96 -10.28 2 0 1000.00 -999 ? >ALA~C 15 89.94 -16.12 -6.99 91.18 -15.44 -6.41 90.56 -15.78 -6.70 2 0 1000.00 -999 ? >LYS~C 16 88.07 -17.57 -3.97 85.64 -17.13 1.88 86.86 -17.35 -1.05 2 0 1000.00 -999 ? >LEU~C 17 84.27 -17.88 -7.02 82.21 -17.33 -6.60 83.24 -17.61 -6.81 3 0 1000.00 -999 ? >ASP~C 18 88.31 -19.71 -9.72 87.08 -18.79 -11.21 87.70 -19.25 -10.46 2 0 1000.00 -999 ? >GLU~C 19 90.95 -22.38 -3.77 90.43 -22.11 -1.74 90.69 -22.25 -2.75 2 0 1000.00 -999 ? >LEU~C 20 85.21 -22.92 -3.70 85.24 -22.28 -1.62 85.23 -22.60 -2.66 3 0 1000.00 -999 ? >LYS~C 21 84.89 -24.34 -7.96 83.84 -21.58 -13.52 84.37 -22.96 -10.74 2 0 1000.00 -999 ? >GLN~C 22 89.94 -25.28 -9.68 91.44 -23.99 -8.85 90.69 -24.64 -9.26 2 0 1000.00 -999 ? >LYS.C 23 86.74 -29.21 -6.35 90.18 -28.49 -1.10 88.46 -28.85 -3.73 2 0 1000.00 -999 ? >LEU.C 24 82.27 -28.56 -7.66 81.55 -28.00 -5.70 81.91 -28.28 -6.68 3 0 1000.00 -999 ? >THR~C 25 81.94 -31.33 -11.06 80.81 -33.09 -10.50 81.37 -32.21 -10.78 2 0 1000.00 -999 ? >ALA~C 26 80.29 -29.28 -13.81 80.33 -29.60 -15.30 80.31 -29.44 -14.56 2 0 1000.00 -999 ? >LYS~C 27 76.95 -30.64 -12.59 73.17 -31.35 -15.56 75.06 -30.99 -14.07 2 0 1000.00 -999 ? >GLN~C 28 78.54 -31.73 -7.67 80.20 -32.65 -6.70 79.37 -32.19 -7.19 2 0 1000.00 -999 ? >ILE~C 29 79.71 -25.76 -10.95 80.90 -25.26 -11.28 80.30 -25.51 -11.12 3 0 1000.00 -999 ? >GLN~C 30 73.56 -26.55 -13.74 72.87 -27.99 -15.16 73.21 -27.27 -14.45 2 0 1000.00 -999 ? >ALA~C 31 73.43 -27.25 -8.96 73.68 -28.60 -8.30 73.55 -27.92 -8.63 2 0 1000.00 -999 ? >ALA~C 32 74.95 -24.68 -6.59 76.45 -24.51 -6.28 75.70 -24.59 -6.43 2 0 1000.00 -999 ? >TYR~C 33 75.82 -20.70 -10.24 78.26 -19.32 -10.11 77.04 -20.01 -10.18 3 0 1000.00 -999 ? >LEU~C 34 70.07 -24.60 -9.93 68.19 -25.09 -10.94 69.13 -24.84 -10.43 3 0 1000.00 -999 ? >LEU~C 35 70.67 -24.35 -4.59 70.31 -26.44 -4.11 70.49 -25.40 -4.35 3 0 1000.00 -999 ? >VAL~C 36 71.15 -19.90 -4.97 73.10 -18.99 -4.45 72.12 -19.44 -4.71 3 0 1000.00 -999 ? >GLU~C 37 70.46 -18.23 -10.10 70.93 -19.10 -11.99 70.69 -18.67 -11.04 2 0 1000.00 -999 ? >ASN~C 38 65.85 -21.64 -6.13 63.81 -22.31 -6.01 64.83 -21.98 -6.07 2 0 1000.00 -999 ? >GLU~C 39 66.92 -20.00 -1.63 65.04 -19.98 -0.63 65.98 -19.99 -1.13 2 0 1000.00 -999 ? >LEU~C 40 69.51 -14.81 -3.92 70.17 -14.43 -1.89 69.84 -14.62 -2.91 3 0 1000.00 -999 ? >MET~C 41 66.86 -14.12 -7.90 69.48 -12.44 -9.44 68.17 -13.28 -8.67 2 0 1000.00 -999 ? >GLU.C 42 64.47 -10.13 -9.15 66.42 -10.13 -8.14 65.45 -10.13 -8.64 2 0 1000.00 -999 ? >SER.C 43 61.23 -14.53 -11.01 60.98 -16.78 -10.09 61.10 -15.65 -10.55 2 0 1000.00 -999 ? >GLU.C 46 53.21 -18.47 -9.27 51.55 -17.39 -8.55 52.38 -17.93 -8.91 2 0 1000.00 -999 ? >GLU.C 47 54.13 -20.81 -5.84 53.82 -19.80 -3.98 53.97 -20.31 -4.91 2 0 1000.00 -999 ? >LYS.C 48 60.08 -20.91 -5.91 62.13 -21.03 -0.51 61.11 -20.97 -3.21 2 0 1000.00 -999 ? >ARG.C 49 63.04 -23.78 -10.72 64.91 -21.34 -10.22 63.97 -22.56 -10.47 2 0 1000.00 -999 ? >THR~C 50 60.90 -27.34 -5.09 59.13 -28.48 -5.62 60.01 -27.91 -5.35 2 0 1000.00 -999 ? >GLN~C 51 64.42 -29.48 -1.93 66.24 -28.37 -2.06 65.33 -28.92 -2.00 2 0 1000.00 -999 ? >ASP~C 52 61.06 -33.03 -6.51 61.16 -34.36 -4.86 61.11 -33.70 -5.68 2 0 1000.00 -999 ? >GLU~C 53 59.45 -28.75 -9.44 58.19 -27.08 -9.11 58.82 -27.91 -9.27 2 0 1000.00 -999 ? >MET~C 54 65.48 -28.61 -9.23 66.36 -25.24 -6.80 65.92 -26.92 -8.02 2 0 1000.00 -999 ? >ALA~C 55 66.77 -32.23 -9.26 66.44 -33.33 -8.26 66.61 -32.78 -8.76 2 0 1000.00 -999 ? >ASN~C 56 63.13 -32.88 -12.41 62.41 -33.57 -14.30 62.77 -33.23 -13.35 2 0 1000.00 -999 ? >GLU~C 57 65.94 -27.24 -14.51 65.77 -25.32 -13.69 65.86 -26.28 -14.10 2 0 1000.00 -999 ? >LEU~C 58 70.10 -30.80 -11.85 70.90 -29.12 -10.73 70.50 -29.96 -11.29 3 0 1000.00 -999 ? >GLY~C 59 68.91 -34.32 -14.59 69.21 -34.10 -13.84 69.06 -34.21 -14.22 1 0 1000.00 -999 ? >ILE.C 60 71.02 -35.14 -10.44 71.79 -34.01 -10.02 71.41 -34.57 -10.23 3 0 1000.00 -999 ? >ASN~C 61 68.95 -39.33 -8.04 67.49 -40.79 -7.47 68.22 -40.06 -7.75 2 0 1000.00 -999 ? >ARG~C 62 64.22 -36.10 -2.98 63.77 -33.44 -1.48 64.00 -34.77 -2.23 2 0 1000.00 -999 ? >THR~C 63 68.79 -38.54 -3.50 68.49 -40.61 -2.91 68.64 -39.58 -3.21 2 0 1000.00 -999 ? >THR~C 64 71.99 -37.14 -5.11 72.14 -37.86 -7.16 72.06 -37.50 -6.14 2 0 1000.00 -999 ? >LEU~C 65 69.71 -32.79 -5.18 69.41 -30.64 -5.59 69.56 -31.71 -5.38 3 0 1000.00 -999 ? >TRP~C 66 68.40 -34.63 1.87 70.89 -37.12 3.65 69.65 -35.87 2.76 3 0 1000.00 -999 ? >GLU~C 67 73.47 -38.37 -1.29 73.67 -39.18 0.65 73.57 -38.78 -0.32 2 0 1000.00 -999 ? >TRP~C 68 76.39 -34.49 -4.57 75.41 -33.27 -8.18 75.90 -33.88 -6.38 3 0 1000.00 -999 ? >ARG~C 69 70.12 -29.18 -0.94 68.25 -28.09 1.27 69.19 -28.64 0.17 2 0 1000.00 -999 ? >THR~C 70 74.34 -32.48 3.31 72.77 -33.99 3.68 73.56 -33.23 3.50 2 0 1000.00 -999 ? >LYS~C 71 77.55 -34.53 3.03 74.86 -40.25 3.95 76.20 -37.39 3.49 2 0 1000.00 -999 ? >ASN~C 72 79.31 -32.68 -1.03 80.97 -32.37 -2.34 80.14 -32.52 -1.69 2 0 1000.00 -999 ? >GLN~C 73 82.09 -30.85 4.74 80.43 -29.84 5.64 81.26 -30.35 5.19 2 0 1000.00 -999 ? >ASP~C 74 83.99 -29.42 -1.86 85.90 -29.99 -1.12 84.94 -29.70 -1.49 2 0 1000.00 -999 ? >PHE~C 75 77.39 -28.86 -3.21 74.96 -28.04 -4.37 76.18 -28.45 -3.79 3 0 1000.00 -999 ? >ILE~C 76 78.32 -27.09 2.19 77.68 -27.61 3.33 78.00 -27.35 2.76 3 0 1000.00 -999 ? >ALA~C 77 81.39 -24.11 0.83 82.82 -24.53 1.07 82.10 -24.32 0.95 2 0 1000.00 -999 ? >PHE~C 78 81.07 -23.41 -5.40 80.75 -22.10 -7.87 80.91 -22.75 -6.63 3 0 1000.00 -999 ? >LYS~C 79 77.38 -22.64 -2.63 73.40 -24.29 0.14 75.39 -23.47 -1.25 2 0 1000.00 -999 ? >SER~C 80 77.85 -20.31 0.39 77.52 -21.37 2.53 77.68 -20.84 1.46 2 0 1000.00 -999 ? >GLU~C 81 82.84 -18.70 -1.16 83.09 -16.82 -0.26 82.97 -17.76 -0.71 2 0 1000.00 -999 ? >VAL~C 82 77.91 -18.06 -4.52 77.36 -19.34 -6.24 77.64 -18.70 -5.38 3 0 1000.00 -999 ? >ALA~C 83 75.15 -16.92 -2.08 74.64 -17.66 -0.85 74.90 -17.29 -1.47 2 0 1000.00 -999 ? >ASP~C 84 79.00 -14.37 -0.34 79.16 -15.22 1.59 79.08 -14.80 0.63 2 0 1000.00 -999 ? >SER~C 85 78.14 -12.97 -4.41 78.92 -13.08 -6.71 78.53 -13.02 -5.56 2 0 1000.00 -999 ? >PHE~C 86 73.34 -14.81 -6.45 73.15 -16.24 -8.89 73.24 -15.53 -7.67 3 0 1000.00 -999 ? >LEU~C 87 73.96 -11.43 -0.50 72.96 -10.77 1.33 73.46 -11.10 0.42 3 0 1000.00 -999 ? >ALA~C 88 76.64 -8.51 -2.68 78.08 -8.95 -2.95 77.36 -8.73 -2.82 2 0 1000.00 -999 ? >GLU~C 89 74.76 -8.18 -8.64 72.74 -7.70 -9.04 73.75 -7.94 -8.84 2 0 1000.00 -999 ? >LYS~C 90 71.96 -6.30 -4.46 69.25 -10.62 -6.45 70.61 -8.46 -5.46 2 0 1000.00 -999 ? >ARG~C 91 77.17 -1.45 -2.26 79.98 -2.41 -1.52 78.57 -1.93 -1.89 2 0 1000.00 -999 ? >GLU~C 92 71.53 -0.97 -7.51 72.76 -2.59 -8.15 72.14 -1.78 -7.83 2 0 1000.00 -999 ? >GLN~C 93 68.18 -3.82 -6.02 67.39 -5.76 -6.42 67.79 -4.79 -6.22 2 0 1000.00 -999 ? >VAL~C 94 69.42 -1.90 -0.47 70.42 -3.31 0.94 69.92 -2.61 0.24 3 0 1000.00 -999 ? >TYR~C 95 73.26 1.81 -1.21 75.90 1.25 -0.43 74.58 1.53 -0.82 3 0 1000.00 -999 ? >SER~C 96 67.46 2.65 -2.62 65.71 2.67 -4.27 66.59 2.66 -3.44 2 0 1000.00 -999 ? >LYS~C 97 65.39 1.50 0.37 60.98 -0.15 -0.93 63.19 0.68 -0.28 2 0 1000.00 -999 ? >LEU~C 98 69.24 3.10 2.92 70.54 3.53 4.59 69.89 3.32 3.75 3 0 1000.00 -999 ? >MET~C 99 67.16 6.53 1.00 69.99 8.30 0.80 68.57 7.42 0.90 2 0 1000.00 -999 ? >GLN~C 100 62.65 4.66 -1.37 61.96 2.79 -2.10 62.31 3.73 -1.73 2 0 1000.00 -999 ? >LEU~C 101 63.87 4.49 5.46 62.77 2.69 5.86 63.32 3.59 5.66 3 0 1000.00 -999 ? >ILE~C 102 66.75 8.99 4.67 68.16 9.21 4.89 67.45 9.10 4.78 3 0 1000.00 -999 ? >LEU~C 103 63.71 10.91 1.14 65.64 11.77 0.45 64.67 11.34 0.80 3 0 1000.00 -999 ? >GLY~C 104 59.79 9.39 3.24 60.14 9.92 3.76 59.97 9.66 3.50 1 0 1000.00 -999 ? >PRO.C 105 55.53 9.24 4.13 57.29 10.50 4.76 56.41 9.87 4.44 3 0 1000.00 -999 ? >GLN.C 106 55.92 7.91 8.88 55.09 6.22 7.90 55.51 7.06 8.39 2 0 1000.00 -999 ? >PRO.C 107 61.33 12.18 7.78 61.21 9.99 8.26 61.27 11.08 8.02 3 0 1000.00 -999 ? >SER~C 108 63.97 7.19 9.87 64.90 4.95 10.03 64.43 6.07 9.95 2 0 1000.00 -999 ? >VAL~C 109 66.71 8.46 12.17 66.91 9.00 14.32 66.81 8.73 13.25 3 0 1000.00 -999 ? >LYS~C 110 68.04 4.90 12.33 70.67 1.23 14.33 69.35 3.07 13.33 2 0 1000.00 -999 ? >ALA~C 111 68.42 4.91 8.53 67.29 5.01 7.52 67.86 4.96 8.03 2 0 1000.00 -999 ? >MET~C 112 70.19 8.31 8.84 67.73 11.70 9.54 68.96 10.00 9.19 2 0 1000.00 -999 ? >GLN~C 113 73.36 5.39 13.47 72.69 3.86 14.78 73.03 4.63 14.13 2 0 1000.00 -999 ? >LEU~C 114 72.33 2.88 8.35 71.76 1.03 9.41 72.05 1.95 8.88 3 0 1000.00 -999 ? >TYR~C 115 73.51 8.28 4.51 74.64 9.76 2.43 74.07 9.02 3.47 3 0 1000.00 -999 ? >MET~C 116 76.35 8.32 8.23 74.14 11.36 10.27 75.25 9.84 9.25 2 0 1000.00 -999 ? >GLN~C 117 77.33 4.29 11.72 76.14 2.93 12.84 76.73 3.61 12.28 2 0 1000.00 -999 ? >ARG~C 118 78.33 2.22 3.24 80.99 1.90 1.67 79.66 2.06 2.45 2 0 1000.00 -999 ? >PHE~C 119 79.44 7.75 3.14 77.99 6.79 0.90 78.71 7.27 2.02 3 0 1000.00 -999 ? >GLY.C 120 82.51 7.05 8.60 82.00 7.62 8.30 82.25 7.33 8.45 1 0 1000.00 -999 ? >LEU.C 121 79.76 10.95 8.70 79.87 11.48 6.59 79.82 11.21 7.65 3 0 1000.00 -999 ? >LEU.C 122 79.06 8.72 13.55 76.96 9.03 13.06 78.01 8.87 13.30 3 0 1000.00 -999 ? >THR^C 123 82.91 10.11 15.85 84.72 11.30 15.65 83.82 10.70 15.75 2 0 1000.00 -999 ? >ASP^C 124 82.62 7.59 19.94 80.76 6.98 19.13 81.69 7.28 19.53 2 0 1000.00 -999 ? >LYS^C 125 85.61 10.85 21.56 86.33 15.32 18.57 85.97 13.09 20.06 2 0 1000.00 -999 ? >LYS^C 126 87.29 9.01 24.44 82.97 5.61 23.79 85.13 7.31 24.12 2 0 1000.00 -999 ? >VAL^C 127 89.52 10.46 27.15 89.70 12.59 27.67 89.61 11.53 27.41 3 0 1000.00 -999 ? >ILE^C 128 92.11 6.55 27.85 91.06 5.63 27.78 91.58 6.09 27.81 3 0 1000.00 -999 ? >GLU^C 129 92.79 9.98 32.59 91.37 11.23 33.54 92.08 10.60 33.06 2 0 1000.00 -999 ? >GLY^C 130 94.74 4.72 34.31 95.27 4.98 33.74 95.01 4.85 34.03 1 0 1000.00 -999 ? >ASP^C 131 98.27 2.03 34.75 97.58 1.81 36.75 97.93 1.92 35.75 2 0 1000.00 -999 ? >LEU.C 132 95.59 -1.54 30.63 96.43 -1.29 28.61 96.01 -1.42 29.62 3 0 1000.00 -999 ? >LYS.D 23 88.48 -3.93 -16.84 88.00 -4.58 -21.79 88.24 -4.26 -19.31 2 0 1000.00 -999 ? >LEU.D 24 83.96 -3.17 -17.57 83.06 -4.01 -15.79 83.51 -3.59 -16.68 3 0 1000.00 -999 ? >THR~D 25 83.68 -2.97 -21.92 82.54 -4.68 -22.61 83.11 -3.83 -22.27 2 0 1000.00 -999 ? >ALA~D 26 81.97 0.38 -22.55 82.07 1.19 -23.85 82.02 0.79 -23.20 2 0 1000.00 -999 ? >LYS~D 27 78.61 -1.46 -22.63 74.90 -0.15 -25.42 76.76 -0.81 -24.03 2 0 1000.00 -999 ? >GLN~D 28 80.19 -5.45 -19.67 81.81 -6.83 -19.45 81.00 -6.14 -19.56 2 0 1000.00 -999 ? >ILE~D 29 81.35 1.17 -18.11 82.58 1.86 -17.86 81.97 1.51 -17.99 3 0 1000.00 -999 ? >GLN~D 30 75.25 2.41 -21.07 74.68 2.30 -23.14 74.96 2.36 -22.10 2 0 1000.00 -999 ? >ALA~D 31 74.91 -1.22 -17.81 75.14 -2.68 -18.11 75.03 -1.95 -17.96 2 0 1000.00 -999 ? >ALA~D 32 76.36 -0.65 -14.31 77.82 -0.68 -13.90 77.09 -0.66 -14.11 2 0 1000.00 -999 ? >TYR~D 33 77.22 4.69 -14.74 79.60 5.74 -13.70 78.41 5.22 -14.22 3 0 1000.00 -999 ? >LEU~D 34 71.45 1.63 -17.08 69.54 1.82 -18.14 70.49 1.72 -17.61 3 0 1000.00 -999 ? >LEU~D 35 71.93 -1.64 -12.82 71.90 -3.28 -14.28 71.92 -2.46 -13.55 3 0 1000.00 -999 ? >VAL~D 36 72.29 2.08 -10.32 74.19 2.39 -9.26 73.24 2.23 -9.79 3 0 1000.00 -999 ? >GLU~D 37 71.69 6.56 -13.44 72.27 6.85 -15.47 71.98 6.70 -14.46 2 0 1000.00 -999 ? >ASN~D 38 67.07 1.47 -12.52 65.03 0.90 -12.87 66.05 1.19 -12.70 2 0 1000.00 -999 ? >GLU~D 39 67.91 -0.05 -7.99 66.02 -0.70 -7.25 66.97 -0.37 -7.62 2 0 1000.00 -999 ? >LEU~D 40 70.56 5.43 -6.36 71.22 4.54 -4.47 70.89 4.99 -5.41 3 0 1000.00 -999 ? >MET~D 41 68.06 8.55 -9.09 70.70 10.71 -9.18 69.38 9.63 -9.14 2 0 1000.00 -999 ? >GLU.D 42 63.26 10.89 -11.52 61.61 9.53 -11.46 62.43 10.21 -11.49 2 0 1000.00 -999 ? >GLU.D 46 58.36 7.74 -13.33 59.53 8.92 -14.66 58.94 8.33 -14.00 2 0 1000.00 -999 ? >GLU.D 47 55.45 1.86 -12.09 54.95 1.82 -10.02 55.20 1.84 -11.06 2 0 1000.00 -999 ? >LYS.D 48 61.31 1.94 -12.18 63.23 -1.17 -7.68 62.27 0.38 -9.93 2 0 1000.00 -999 ? >ARG.D 49 65.04 2.34 -17.16 66.31 4.77 -15.76 65.68 3.56 -16.46 2 0 1000.00 -999 ? >THR~D 50 62.20 -3.67 -15.41 60.47 -4.22 -16.56 61.34 -3.95 -15.98 2 0 1000.00 -999 ? >GLN~D 51 65.75 -7.20 -13.95 67.61 -6.27 -13.42 66.68 -6.74 -13.68 2 0 1000.00 -999 ? >ASP~D 52 62.50 -7.30 -19.92 62.38 -9.35 -19.30 62.44 -8.33 -19.61 2 0 1000.00 -999 ? >GLU~D 53 61.01 -2.22 -19.76 59.72 -1.07 -18.54 60.37 -1.64 -19.15 2 0 1000.00 -999 ? >MET~D 54 67.00 -2.16 -19.14 67.69 -1.02 -15.10 67.35 -1.59 -17.12 2 0 1000.00 -999 ? >ALA~D 55 68.38 -4.99 -21.34 67.96 -6.45 -21.28 68.17 -5.72 -21.31 2 0 1000.00 -999 ? >ASN~D 56 65.04 -3.38 -24.51 64.27 -5.23 -25.20 64.65 -4.30 -24.86 2 0 1000.00 -999 ? >GLU~D 57 67.88 2.33 -22.47 67.56 3.42 -20.70 67.72 2.88 -21.59 2 0 1000.00 -999 ? >LEU~D 58 71.79 -2.27 -22.29 72.43 -1.52 -20.36 72.11 -1.90 -21.33 3 0 1000.00 -999 ? >GLY~D 59 70.71 -3.38 -26.65 70.99 -3.66 -25.92 70.85 -3.52 -26.28 1 0 1000.00 -999 ? >ILE.D 60 72.69 -6.59 -23.79 73.41 -5.92 -22.72 73.05 -6.25 -23.26 3 0 1000.00 -999 ? >ASN~D 61 70.58 -11.42 -24.61 70.80 -11.89 -26.66 70.69 -11.65 -25.64 2 0 1000.00 -999 ? >ARG~D 62 64.44 -10.93 -21.20 62.48 -12.34 -23.09 63.46 -11.63 -22.14 2 0 1000.00 -999 ? >THR~D 63 70.64 -13.61 -20.66 70.26 -15.02 -22.28 70.45 -14.32 -21.47 2 0 1000.00 -999 ? >THR~D 64 73.67 -11.34 -21.11 74.65 -10.52 -22.86 74.16 -10.93 -21.99 2 0 1000.00 -999 ? >LEU~D 65 71.21 -8.07 -18.42 70.91 -6.28 -17.25 71.06 -7.18 -17.83 3 0 1000.00 -999 ? >TRP~D 66 71.54 -15.24 -15.19 68.23 -15.13 -13.03 69.88 -15.19 -14.11 3 0 1000.00 -999 ? >GLU~D 67 77.36 -14.03 -18.23 77.76 -16.05 -17.71 77.56 -15.04 -17.97 2 0 1000.00 -999 ? >TRP~D 68 78.09 -9.66 -18.75 77.11 -6.50 -20.90 77.60 -8.08 -19.82 3 0 1000.00 -999 ? >ARG~D 69 71.42 -7.85 -13.02 69.44 -8.42 -10.74 70.43 -8.13 -11.88 2 0 1000.00 -999 ? >THR~D 70 75.49 -13.21 -11.55 73.80 -14.22 -12.44 74.64 -13.72 -12.00 2 0 1000.00 -999 ? >LYS~D 71 78.86 -14.37 -12.93 75.88 -19.07 -13.74 77.37 -16.72 -13.34 2 0 1000.00 -999 ? >ASN~D 72 80.71 -10.40 -14.99 82.43 -9.35 -15.75 81.57 -9.88 -15.37 2 0 1000.00 -999 ? >GLN~D 73 83.35 -12.55 -9.36 81.66 -12.33 -8.03 82.50 -12.44 -8.70 2 0 1000.00 -999 ? >ASP~D 74 85.33 -7.24 -13.47 87.19 -8.21 -13.22 86.26 -7.73 -13.34 2 0 1000.00 -999 ? >PHE~D 75 78.74 -6.04 -14.35 76.25 -4.76 -14.60 77.49 -5.40 -14.48 3 0 1000.00 -999 ? >ILE~D 76 79.43 -8.07 -9.07 78.78 -9.20 -8.52 79.10 -8.63 -8.80 3 0 1000.00 -999 ? >ALA~D 77 82.45 -4.92 -8.05 83.91 -5.39 -8.02 83.18 -5.15 -8.04 2 0 1000.00 -999 ? >PHE~D 78 82.43 -0.50 -12.51 82.15 2.08 -13.61 82.29 0.79 -13.06 3 0 1000.00 -999 ? >LYS~D 79 78.50 -1.57 -10.01 74.60 -4.45 -8.84 76.55 -3.01 -9.42 2 0 1000.00 -999 ? >SER~D 80 78.89 -1.63 -6.18 78.50 -3.83 -5.18 78.69 -2.73 -5.68 2 0 1000.00 -999 ? >GLU~D 81 83.85 0.31 -6.41 84.25 0.96 -4.43 84.05 0.63 -5.42 2 0 1000.00 -999 ? >VAL~D 82 79.03 3.16 -8.62 78.48 3.17 -10.78 78.75 3.16 -9.70 3 0 1000.00 -999 ? >ALA~D 83 76.25 2.49 -6.04 75.79 1.11 -5.57 76.02 1.80 -5.80 2 0 1000.00 -999 ? >ASP~D 84 79.92 3.45 -2.93 79.97 1.49 -2.13 79.94 2.47 -2.53 2 0 1000.00 -999 ? >SER~D 85 79.07 7.06 -5.39 79.99 8.41 -7.18 79.53 7.74 -6.29 2 0 1000.00 -999 ? >PHE~D 86 74.40 7.01 -8.26 74.42 7.37 -11.05 74.41 7.19 -9.65 3 0 1000.00 -999 ? >LEU~D 87 74.89 5.92 -1.48 73.79 5.39 0.36 74.34 5.66 -0.56 3 0 1000.00 -999 ? >ALA~D 88 77.60 9.54 -1.30 79.07 9.36 -1.75 78.33 9.45 -1.52 2 0 1000.00 -999 ? >GLU~D 89 75.82 13.52 -5.78 73.78 14.10 -5.95 74.80 13.81 -5.87 2 0 1000.00 -999 ? >LYS~D 90 72.90 12.34 -1.43 70.33 10.27 -5.73 71.62 11.31 -3.58 2 0 1000.00 -999 ? >ARG~D 91 77.96 14.71 3.49 80.75 13.45 3.60 79.35 14.08 3.55 2 0 1000.00 -999 ? >GLU~D 92 72.52 18.50 -0.57 73.76 17.56 -2.01 73.14 18.03 -1.29 2 0 1000.00 -999 ? >GLN~D 93 69.16 15.35 -1.30 68.37 14.11 -2.84 68.77 14.73 -2.07 2 0 1000.00 -999 ? >VAL~D 94 70.14 13.38 4.28 71.16 11.42 4.51 70.65 12.40 4.39 3 0 1000.00 -999 ? >TYR~D 95 73.93 16.69 6.13 76.52 15.69 6.58 75.22 16.19 6.35 3 0 1000.00 -999 ? >SER~D 96 68.21 18.28 5.40 66.50 19.32 4.04 67.36 18.80 4.72 2 0 1000.00 -999 ? >LYS~D 97 66.07 15.52 6.92 61.61 15.06 4.75 63.84 15.29 5.83 2 0 1000.00 -999 ? >LEU~D 98 69.86 15.11 9.98 71.17 14.41 11.59 70.52 14.76 10.78 3 0 1000.00 -999 ? >MET~D 99 67.78 19.07 10.62 70.65 20.47 11.63 69.22 19.77 11.13 2 0 1000.00 -999 ? >GLN~D 100 63.37 19.14 7.60 62.72 18.19 5.80 63.04 18.67 6.70 2 0 1000.00 -999 ? >LEU~D 101 64.62 14.67 12.69 63.70 12.88 11.76 64.16 13.78 12.22 3 0 1000.00 -999 ? >ILE~D 102 67.33 18.64 15.03 68.72 18.68 15.44 68.03 18.66 15.23 3 0 1000.00 -999 ? >LEU~D 103 64.47 22.43 13.59 66.40 23.51 13.66 65.44 22.97 13.63 3 0 1000.00 -999 ? >GLY~D 104 60.43 20.08 13.81 60.73 20.11 14.57 60.58 20.09 14.19 1 0 1000.00 -999 ? >PRO.D 105 56.17 19.08 14.25 57.81 19.98 15.50 56.99 19.53 14.88 3 0 1000.00 -999 ? >GLN.D 106 56.56 15.66 17.41 55.55 14.11 16.39 56.05 14.88 16.90 2 0 1000.00 -999 ? >PRO.D 107 61.96 19.54 19.06 61.79 17.47 18.21 61.87 18.51 18.64 3 0 1000.00 -999 ? >SER~D 108 64.33 14.00 17.90 65.27 12.09 16.60 64.80 13.04 17.25 2 0 1000.00 -999 ? >VAL~D 109 67.08 13.49 20.55 66.97 13.59 22.75 67.03 13.54 21.65 3 0 1000.00 -999 ? >LYS~D 110 68.57 10.63 18.55 71.75 6.23 18.17 70.16 8.43 18.36 2 0 1000.00 -999 ? >ALA~D 111 68.94 12.98 15.56 67.86 13.70 14.81 68.40 13.34 15.19 2 0 1000.00 -999 ? >MET~D 112 70.64 15.48 17.93 68.12 17.70 20.51 69.38 16.59 19.22 2 0 1000.00 -999 ? >GLN~D 113 73.90 10.37 19.79 73.36 8.32 20.16 73.63 9.35 19.97 2 0 1000.00 -999 ? >LEU~D 114 72.92 11.59 14.24 72.36 9.50 13.92 72.64 10.54 14.08 3 0 1000.00 -999 ? >TYR~D 115 74.06 18.24 14.69 75.17 20.73 14.05 74.61 19.48 14.37 3 0 1000.00 -999 ? >MET~D 116 76.83 16.00 17.72 74.47 17.07 21.11 75.65 16.54 19.42 2 0 1000.00 -999 ? >GLN~D 117 77.80 10.75 17.94 77.08 8.77 17.63 77.44 9.76 17.79 2 0 1000.00 -999 ? >ARG~D 118 79.06 14.32 10.06 81.82 14.74 8.76 80.44 14.53 9.41 2 0 1000.00 -999 ? >PHE~D 119 79.94 18.74 13.49 78.59 19.32 11.10 79.26 19.03 12.30 3 0 1000.00 -999 ? >GLY.D 120 83.00 14.86 17.35 82.49 15.50 17.46 82.75 15.18 17.41 1 0 1000.00 -999 ? >LEU.D 121 80.07 17.75 19.77 80.21 19.55 18.52 80.14 18.65 19.15 3 0 1000.00 -999 ? >LEU.D 122 79.42 13.04 22.29 77.35 13.56 21.98 78.39 13.30 22.13 3 0 1000.00 -999 ? >THR^D 123 83.13 12.62 25.01 84.98 13.67 25.54 84.05 13.15 25.27 2 0 1000.00 -999 ? >ASP^D 124 82.61 8.19 26.89 80.67 8.26 26.09 81.64 8.22 26.49 2 0 1000.00 -999 ? >LYS^D 125 85.86 9.39 29.95 87.92 14.82 31.97 86.89 12.11 30.96 2 0 1000.00 -999 ? >LYS^D 126 87.38 6.08 31.07 82.89 4.02 28.80 85.13 5.05 29.93 2 0 1000.00 -999 ? >VAL^D 127 89.55 5.26 34.08 89.70 6.32 36.02 89.63 5.79 35.05 3 0 1000.00 -999 ? >ILE^D 128 92.03 1.88 31.73 91.25 1.12 30.69 91.64 1.50 31.21 3 0 1000.00 -999 ? >GLU^D 129 91.33 0.82 37.56 89.94 0.62 39.15 90.63 0.72 38.35 2 0 1000.00 -999 ? >GLY^D 130 94.08 -3.98 35.54 94.57 -3.45 35.23 94.32 -3.72 35.38 1 0 1000.00 -999 ? >ASP.D 131 97.15 -6.99 34.26 95.92 -8.28 35.42 96.54 -7.63 34.84 2 0 1000.00 -999 ? >LEU.D 132 95.77 -7.17 28.84 95.97 -5.34 27.66 95.87 -6.26 28.25 3 0 1000.00 -999 ? >MET~E 14 89.23 32.59 25.86 87.63 35.34 27.00 88.43 33.97 26.43 2 0 1000.00 -999 ? >ALA~E 15 92.19 30.89 24.15 92.80 29.56 24.58 92.50 30.22 24.36 2 0 1000.00 -999 ? >LYS~E 16 90.24 30.08 20.98 88.90 24.71 21.35 89.57 27.40 21.17 2 0 1000.00 -999 ? >LEU~E 17 86.89 33.43 22.16 84.83 32.83 22.67 85.86 33.13 22.42 3 0 1000.00 -999 ? >ASP~E 18 91.69 35.61 22.09 92.74 37.44 22.06 92.21 36.53 22.08 2 0 1000.00 -999 ? >GLU~E 19 93.79 32.20 16.58 93.79 30.09 16.31 93.79 31.14 16.45 2 0 1000.00 -999 ? >LEU~E 20 88.23 32.72 16.21 88.06 30.64 15.57 88.15 31.68 15.89 3 0 1000.00 -999 ? >LYS~E 21 87.94 37.15 16.94 87.50 40.27 21.78 87.72 38.71 19.36 2 0 1000.00 -999 ? >GLN~E 22 92.50 38.98 17.17 94.44 39.64 17.71 93.47 39.31 17.44 2 0 1000.00 -999 ? >LYS.E 23 89.95 37.45 11.79 91.90 33.61 8.43 90.92 35.53 10.11 2 0 1000.00 -999 ? >LEU.E 24 85.49 38.33 13.04 84.71 36.31 12.76 85.10 37.32 12.90 3 0 1000.00 -999 ? >THR~E 25 85.12 42.60 11.87 84.06 42.83 9.99 84.59 42.71 10.93 2 0 1000.00 -999 ? >ALA~E 26 83.40 44.35 14.81 83.50 45.85 15.11 83.45 45.10 14.96 2 0 1000.00 -999 ? >LYS~E 27 80.04 43.86 13.04 76.36 47.03 13.76 78.20 45.45 13.40 2 0 1000.00 -999 ? >GLN~E 28 81.70 39.71 10.07 83.37 39.26 8.84 82.53 39.48 9.45 2 0 1000.00 -999 ? >ILE~E 29 82.72 40.27 16.92 83.96 40.24 17.58 83.34 40.26 17.25 3 0 1000.00 -999 ? >GLN~E 30 76.56 43.34 17.09 76.05 45.38 16.64 76.31 44.36 16.87 2 0 1000.00 -999 ? >ALA~E 31 76.46 39.26 14.44 76.76 39.21 12.93 76.61 39.23 13.69 2 0 1000.00 -999 ? >ALA~E 32 77.83 36.01 15.92 79.28 35.59 16.06 78.56 35.80 15.99 2 0 1000.00 -999 ? >TYR~E 33 78.50 37.71 20.99 80.83 36.93 22.31 79.66 37.32 21.65 3 0 1000.00 -999 ? >LEU~E 34 72.92 39.22 17.17 71.05 40.33 17.19 71.98 39.78 17.18 3 0 1000.00 -999 ? >LEU~E 35 73.42 34.26 15.16 73.08 34.55 13.03 73.25 34.41 14.10 3 0 1000.00 -999 ? >VAL~E 36 73.62 32.78 19.41 75.51 31.81 20.01 74.56 32.30 19.71 3 0 1000.00 -999 ? >GLU~E 37 73.18 36.79 22.87 73.68 38.86 22.79 73.43 37.82 22.83 2 0 1000.00 -999 ? >ASN~E 38 68.50 34.92 18.23 66.52 35.10 17.46 67.51 35.01 17.85 2 0 1000.00 -999 ? >GLU~E 39 69.30 30.04 17.79 67.38 29.26 17.35 68.34 29.65 17.57 2 0 1000.00 -999 ? >LEU~E 40 71.77 29.81 23.64 72.34 27.83 22.94 72.05 28.82 23.29 3 0 1000.00 -999 ? >MET~E 41 69.60 33.45 25.74 71.40 37.19 26.47 70.50 35.32 26.11 2 0 1000.00 -999 ? >GLU.E 42 67.41 33.83 30.22 69.23 32.70 30.32 68.32 33.27 30.27 2 0 1000.00 -999 ? >GLU.E 47 58.42 34.76 18.53 58.00 32.68 18.69 58.21 33.72 18.61 2 0 1000.00 -999 ? >LYS.E 48 62.98 34.66 18.71 65.00 28.61 19.45 63.99 31.64 19.08 2 0 1000.00 -999 ? >ARG.E 49 66.31 39.63 18.11 67.80 38.83 20.69 67.05 39.23 19.40 2 0 1000.00 -999 ? >THR~E 50 63.79 36.54 12.40 62.06 37.56 11.55 62.92 37.05 11.97 2 0 1000.00 -999 ? >GLN~E 51 67.40 34.29 9.26 69.29 33.95 10.20 68.35 34.12 9.73 2 0 1000.00 -999 ? >ASP~E 52 64.19 40.14 7.84 64.20 39.18 5.95 64.20 39.66 6.89 2 0 1000.00 -999 ? >GLU~E 53 62.55 41.16 12.94 61.23 40.18 14.30 61.89 40.67 13.62 2 0 1000.00 -999 ? >MET~E 54 68.56 40.51 13.07 69.15 36.83 15.09 68.85 38.67 14.08 2 0 1000.00 -999 ? >ALA~E 55 70.04 41.95 9.85 69.74 41.50 8.43 69.89 41.72 9.14 2 0 1000.00 -999 ? >ASN~E 56 66.53 45.21 10.71 65.48 45.28 8.84 66.01 45.24 9.78 2 0 1000.00 -999 ? >GLU~E 57 69.45 44.61 16.62 69.01 43.08 18.00 69.23 43.84 17.31 2 0 1000.00 -999 ? >LEU~E 58 73.41 43.55 12.41 74.00 41.74 13.49 73.71 42.65 12.95 3 0 1000.00 -999 ? >GLY~E 59 72.24 47.47 10.20 72.53 46.72 10.10 72.38 47.10 10.15 1 0 1000.00 -999 ? >ILE.E 60 74.39 44.02 7.75 75.06 43.10 8.65 74.72 43.56 8.20 3 0 1000.00 -999 ? >ASN~E 61 72.15 43.89 2.88 72.27 45.95 2.27 72.21 44.92 2.57 2 0 1000.00 -999 ? >ARG~E 62 66.96 38.14 3.53 66.51 35.57 5.18 66.74 36.85 4.35 2 0 1000.00 -999 ? >THR~E 63 72.52 39.12 1.67 72.31 40.36 -0.11 72.41 39.74 0.78 2 0 1000.00 -999 ? >THR~E 64 75.50 40.12 3.83 76.48 42.01 4.26 75.99 41.06 4.05 2 0 1000.00 -999 ? >LEU~E 65 72.99 38.26 7.59 72.76 37.54 9.64 72.88 37.90 8.61 3 0 1000.00 -999 ? >TRP~E 66 73.68 33.51 1.38 70.38 31.34 1.50 72.03 32.43 1.44 3 0 1000.00 -999 ? >GLU~E 67 77.78 36.73 0.82 79.13 35.38 -0.13 78.46 36.06 0.34 2 0 1000.00 -999 ? >TRP~E 68 79.76 38.24 6.15 78.72 41.01 8.76 79.24 39.63 7.45 3 0 1000.00 -999 ? >ARG~E 69 73.26 33.06 9.23 71.18 30.76 9.09 72.22 31.91 9.16 2 0 1000.00 -999 ? >THR~E 70 77.46 30.33 4.37 75.85 31.00 3.07 76.65 30.66 3.72 2 0 1000.00 -999 ? >LYS~E 71 80.89 31.42 3.07 80.11 30.99 -2.74 80.50 31.20 0.16 2 0 1000.00 -999 ? >ASN~E 72 82.57 34.26 6.55 84.23 35.16 7.55 83.40 34.71 7.05 2 0 1000.00 -999 ? >GLN~E 73 85.15 28.21 5.95 83.46 26.97 6.37 84.30 27.59 6.16 2 0 1000.00 -999 ? >ASP~E 74 87.00 33.39 10.22 88.83 32.84 9.30 87.92 33.11 9.76 2 0 1000.00 -999 ? >PHE~E 75 80.33 34.70 10.79 77.81 35.33 11.86 79.07 35.01 11.32 3 0 1000.00 -999 ? >ILE~E 76 80.99 29.02 10.26 80.33 28.20 9.27 80.66 28.61 9.76 3 0 1000.00 -999 ? >ALA~E 77 83.92 28.80 13.67 85.38 28.66 13.27 84.65 28.73 13.47 2 0 1000.00 -999 ? >PHE~E 78 83.79 34.20 16.83 83.40 36.00 18.96 83.60 35.10 17.90 3 0 1000.00 -999 ? >LYS~E 79 79.90 31.46 16.23 76.17 29.82 13.48 78.03 30.64 14.85 2 0 1000.00 -999 ? >SER~E 80 80.25 27.74 17.19 79.93 26.28 15.28 80.09 27.01 16.23 2 0 1000.00 -999 ? >GLU~E 81 85.10 28.57 19.12 85.36 26.68 20.04 85.23 27.62 19.58 2 0 1000.00 -999 ? >VAL~E 82 80.26 31.35 21.30 79.81 33.44 20.78 80.04 32.40 21.04 3 0 1000.00 -999 ? >ALA~E 83 77.46 28.73 21.13 77.03 27.98 19.89 77.24 28.36 20.51 2 0 1000.00 -999 ? >ASP~E 84 81.01 25.86 22.91 81.11 24.43 21.35 81.06 25.15 22.13 2 0 1000.00 -999 ? >SER~E 85 80.13 29.10 25.80 82.19 30.18 25.18 81.16 29.64 25.49 2 0 1000.00 -999 ? >PHE~E 86 75.51 31.90 24.86 75.52 34.68 24.63 75.51 33.29 24.74 3 0 1000.00 -999 ? >LEU~E 87 75.88 25.05 25.32 74.76 23.16 25.11 75.32 24.11 25.21 3 0 1000.00 -999 ? >ALA~E 88 78.25 25.67 29.14 79.71 26.10 28.96 78.98 25.88 29.05 2 0 1000.00 -999 ? >GLU~E 89 75.53 30.65 31.82 73.44 30.79 31.37 74.49 30.72 31.60 2 0 1000.00 -999 ? >LYS~E 90 73.45 26.20 31.62 70.78 29.40 28.20 72.11 27.80 29.91 2 0 1000.00 -999 ? >ARG~E 91 78.29 21.57 34.82 79.97 21.85 37.37 79.13 21.71 36.09 2 0 1000.00 -999 ? >GLU~E 92 74.94 24.93 38.63 76.63 25.12 37.36 75.79 25.03 38.00 2 0 1000.00 -999 ? >GLN~E 93 69.55 26.61 34.25 69.14 27.82 32.54 69.35 27.22 33.40 2 0 1000.00 -999 ? >VAL~E 94 70.63 20.71 33.75 71.68 19.96 31.96 71.16 20.33 32.86 3 0 1000.00 -999 ? >TYR~E 95 74.26 19.80 37.81 76.93 19.11 37.35 75.59 19.46 37.58 3 0 1000.00 -999 ? >SER~E 96 68.50 20.84 38.73 66.72 22.37 39.32 67.61 21.60 39.02 2 0 1000.00 -999 ? >LYS~E 97 66.42 18.81 36.23 62.43 21.97 35.19 64.42 20.39 35.71 2 0 1000.00 -999 ? >LEU~E 98 70.06 15.60 36.58 71.20 13.75 36.38 70.63 14.68 36.48 3 0 1000.00 -999 ? >MET~E 99 67.99 15.80 40.52 70.97 14.92 41.51 69.48 15.36 41.01 2 0 1000.00 -999 ? >GLN~E 100 62.29 17.93 39.41 61.53 19.69 38.47 61.91 18.81 38.94 2 0 1000.00 -999 ? >LEU~E 101 64.59 13.02 36.59 63.62 13.32 34.69 64.11 13.17 35.64 3 0 1000.00 -999 ? >ILE~E 102 67.32 11.31 40.92 68.68 10.84 40.87 68.00 11.08 40.90 3 0 1000.00 -999 ? >LEU~E 103 65.43 13.65 44.72 67.38 13.27 45.61 66.41 13.46 45.17 3 0 1000.00 -999 ? >GLY~E 104 60.88 12.95 43.51 61.30 12.22 43.59 61.09 12.59 43.55 1 0 1000.00 -999 ? >PRO.E 105 56.70 12.10 44.18 58.64 10.96 44.39 57.67 11.53 44.29 3 0 1000.00 -999 ? >GLN.E 106 56.27 8.89 40.36 55.25 10.32 41.57 55.76 9.60 40.97 2 0 1000.00 -999 ? >PRO.E 107 62.19 6.54 42.17 61.78 8.18 40.67 61.98 7.36 41.42 3 0 1000.00 -999 ? >SER~E 108 64.03 7.82 36.96 65.04 8.65 34.89 64.54 8.24 35.92 2 0 1000.00 -999 ? >VAL~E 109 66.56 4.94 36.68 66.51 2.82 36.01 66.53 3.88 36.34 3 0 1000.00 -999 ? >LYS~E 110 68.09 6.51 33.57 63.18 6.06 33.40 65.63 6.28 33.48 2 0 1000.00 -999 ? >ALA~E 111 68.67 9.77 35.49 67.63 10.67 36.08 68.15 10.22 35.79 2 0 1000.00 -999 ? >MET~E 112 70.31 7.75 38.31 67.98 6.10 41.37 69.14 6.92 39.84 2 0 1000.00 -999 ? >GLN~E 113 73.30 4.94 33.59 72.64 3.58 32.06 72.97 4.26 32.82 2 0 1000.00 -999 ? >LEU~E 114 72.87 10.76 34.04 72.48 10.83 31.92 72.68 10.80 32.98 3 0 1000.00 -999 ? >TYR~E 115 73.79 11.07 40.75 74.85 11.75 43.27 74.32 11.41 42.01 3 0 1000.00 -999 ? >MET~E 116 76.42 7.72 38.95 73.92 4.46 40.18 75.17 6.09 39.57 2 0 1000.00 -999 ? >GLN~E 117 77.69 6.74 33.98 76.91 6.49 32.05 77.30 6.61 33.01 2 0 1000.00 -999 ? >ARG~E 118 78.99 15.05 36.40 81.62 16.61 36.73 80.30 15.83 36.57 2 0 1000.00 -999 ? >PHE~E 119 79.53 12.09 41.41 78.48 14.64 41.86 79.00 13.37 41.63 3 0 1000.00 -999 ? >GLY.E 120 82.55 7.73 38.04 82.00 7.69 38.65 82.28 7.71 38.34 1 0 1000.00 -999 ? >LEU.E 121 79.55 5.71 41.13 79.59 7.14 42.79 79.57 6.43 41.96 3 0 1000.00 -999 ? >LEU.E 122 78.93 2.74 36.69 76.82 3.10 37.13 77.88 2.92 36.91 3 0 1000.00 -999 ? >THR^E 123 82.47 -0.21 36.71 84.03 -1.04 37.98 83.25 -0.62 37.35 2 0 1000.00 -999 ? >ASP^E 124 82.31 -1.63 32.15 80.42 -0.68 32.02 81.36 -1.16 32.09 2 0 1000.00 -999 ? >LYS^E 125 84.66 -5.35 33.89 86.01 -9.56 38.37 85.33 -7.46 36.13 2 0 1000.00 -999 ? >LYS^E 126 86.27 -7.30 31.03 82.47 -4.23 28.61 84.37 -5.77 29.82 2 0 1000.00 -999 ? >VAL^E 127 88.14 -10.58 31.04 88.07 -12.26 32.46 88.11 -11.42 31.75 3 0 1000.00 -999 ? >ILE^E 128 90.92 -9.56 27.38 91.03 -8.41 26.55 90.98 -8.99 26.97 3 0 1000.00 -999 ? >GLU^E 129 90.72 -15.58 28.23 89.46 -17.26 28.56 90.09 -16.42 28.39 2 0 1000.00 -999 ? >GLY^E 130 93.47 -14.96 23.16 93.99 -14.66 23.71 93.73 -14.81 23.43 1 0 1000.00 -999 ? >ASP.E 131 97.31 -14.72 20.80 96.75 -15.63 18.97 97.03 -15.18 19.89 2 0 1000.00 -999 ? >LEU.E 132 97.08 -9.46 19.09 95.33 -8.45 19.95 96.21 -8.95 19.52 3 0 1000.00 -999 ? >LYS~F 16 87.14 -31.01 34.05 86.47 -27.57 36.49 86.81 -29.29 35.27 2 0 1000.00 -999 ? >LEU~F 17 83.20 -33.58 35.24 81.26 -32.93 34.47 82.23 -33.26 34.86 3 0 1000.00 -999 ? >ASP~F 18 87.50 -36.47 36.04 86.17 -37.28 34.57 86.84 -36.87 35.31 2 0 1000.00 -999 ? >GLU~F 19 90.24 -31.25 40.03 90.48 -29.17 39.65 90.36 -30.21 39.84 2 0 1000.00 -999 ? >LEU~F 20 84.64 -31.05 40.53 84.62 -28.85 40.53 84.63 -29.95 40.53 3 0 1000.00 -999 ? >LYS~F 21 84.19 -35.49 41.37 83.20 -37.04 36.33 83.69 -36.27 38.85 2 0 1000.00 -999 ? >GLN~F 22 89.01 -36.51 42.03 89.12 -38.58 41.53 89.06 -37.55 41.78 2 0 1000.00 -999 ? >LYS~F 23 85.86 -34.11 46.39 89.53 -28.99 46.24 87.70 -31.55 46.32 2 0 1000.00 -999 ? >LEU~F 24 81.42 -35.21 45.51 81.03 -33.21 44.66 81.23 -34.21 45.09 3 0 1000.00 -999 ? >THR~F 25 80.77 -38.82 47.94 79.56 -38.42 49.70 80.17 -38.62 48.82 2 0 1000.00 -999 ? >ALA~F 26 78.98 -41.15 45.52 79.00 -42.67 45.53 78.99 -41.91 45.53 2 0 1000.00 -999 ? >LYS~F 27 75.64 -39.97 46.98 71.70 -42.88 47.16 73.67 -41.42 47.07 2 0 1000.00 -999 ? >GLN~F 28 77.51 -35.13 48.59 79.21 -34.64 49.80 78.36 -34.89 49.20 2 0 1000.00 -999 ? >ILE~F 29 78.53 -37.99 42.28 79.73 -38.31 41.58 79.13 -38.15 41.93 3 0 1000.00 -999 ? >GLN~F 30 72.30 -40.60 42.81 71.57 -42.21 44.02 71.94 -41.41 43.41 2 0 1000.00 -999 ? >ALA~F 31 72.37 -35.68 44.14 72.64 -35.20 45.57 72.50 -35.44 44.85 2 0 1000.00 -999 ? >ALA~F 32 74.03 -33.13 41.82 75.51 -32.85 41.67 74.77 -32.99 41.75 2 0 1000.00 -999 ? >TYR~F 33 74.70 -36.49 37.57 77.04 -36.36 36.03 75.87 -36.43 36.80 3 0 1000.00 -999 ? >LEU~F 34 68.93 -36.31 41.35 66.98 -37.33 41.53 67.95 -36.82 41.44 3 0 1000.00 -999 ? >LEU~F 35 69.95 -31.01 41.82 69.72 -31.15 44.01 69.83 -31.08 42.92 3 0 1000.00 -999 ? >VAL~F 36 70.27 -30.93 37.33 72.22 -30.36 36.51 71.24 -30.65 36.92 3 0 1000.00 -999 ? >GLU~F 37 69.43 -35.73 35.14 69.81 -37.71 35.84 69.62 -36.72 35.49 2 0 1000.00 -999 ? >ASN~F 38 64.97 -32.06 38.99 62.97 -31.86 39.71 63.97 -31.96 39.35 2 0 1000.00 -999 ? >GLU~F 39 66.28 -27.49 37.94 64.47 -26.40 38.18 65.38 -26.94 38.06 2 0 1000.00 -999 ? >LEU~F 40 68.62 -29.29 32.36 69.40 -27.24 32.23 69.01 -28.27 32.29 3 0 1000.00 -999 ? >MET~F 41 65.82 -33.12 31.45 68.25 -34.08 29.32 67.04 -33.60 30.38 2 0 1000.00 -999 ? >LYS.F 48 58.90 -31.21 38.58 55.82 -34.74 34.93 57.36 -32.97 36.75 2 0 1000.00 -999 ? >ARG.F 49 62.59 -36.00 40.86 63.45 -36.46 37.93 63.02 -36.23 39.39 2 0 1000.00 -999 ? >THR~F 50 60.13 -31.24 44.97 59.01 -31.40 46.83 59.57 -31.32 45.90 2 0 1000.00 -999 ? >GLN~F 51 63.87 -28.51 47.46 65.66 -28.81 46.35 64.76 -28.66 46.91 2 0 1000.00 -999 ? >ASP~F 52 60.16 -33.35 50.38 60.29 -31.98 52.00 60.23 -32.66 51.19 2 0 1000.00 -999 ? >GLU~F 53 58.42 -35.87 45.88 57.15 -35.04 44.39 57.78 -35.45 45.13 2 0 1000.00 -999 ? >MET~F 54 64.43 -35.69 45.57 65.43 -32.82 42.69 64.93 -34.26 44.13 2 0 1000.00 -999 ? >ALA~F 55 65.73 -36.28 49.13 65.53 -35.35 50.34 65.63 -35.81 49.74 2 0 1000.00 -999 ? >ASN~F 56 61.83 -39.18 49.53 60.84 -41.07 49.62 61.33 -40.13 49.58 2 0 1000.00 -999 ? >GLU~F 57 64.68 -40.65 43.55 64.07 -39.68 41.76 64.37 -40.17 42.65 2 0 1000.00 -999 ? >LEU~F 58 68.95 -38.91 47.31 69.73 -37.68 45.69 69.34 -38.30 46.50 3 0 1000.00 -999 ? >GLY~F 59 67.49 -41.88 50.63 67.84 -41.14 50.50 67.67 -41.51 50.56 1 0 1000.00 -999 ? >ILE.F 60 69.93 -38.04 52.00 70.77 -37.52 50.94 70.35 -37.78 51.47 3 0 1000.00 -999 ? >ASN~F 61 67.24 -36.42 56.47 67.31 -34.47 57.32 67.27 -35.44 56.89 2 0 1000.00 -999 ? >ARG~F 62 62.70 -31.65 55.29 59.63 -31.69 55.34 61.17 -31.67 55.31 2 0 1000.00 -999 ? >THR~F 63 68.32 -31.19 56.07 67.93 -31.73 58.15 68.12 -31.46 57.11 2 0 1000.00 -999 ? >THR~F 64 71.22 -33.11 54.49 72.11 -35.08 54.80 71.66 -34.09 54.64 2 0 1000.00 -999 ? >LEU~F 65 68.95 -32.37 50.21 68.65 -32.31 48.04 68.80 -32.34 49.12 3 0 1000.00 -999 ? >TRP~F 66 68.38 -25.55 53.15 70.58 -24.88 56.33 69.48 -25.22 54.74 3 0 1000.00 -999 ? >GLU~F 67 73.88 -30.82 55.05 73.99 -31.74 56.99 73.94 -31.28 56.02 2 0 1000.00 -999 ? >TRP~F 68 75.67 -32.52 51.83 74.41 -35.84 50.13 75.04 -34.18 50.98 3 0 1000.00 -999 ? >ARG~F 69 69.74 -27.91 47.10 67.88 -25.56 46.35 68.81 -26.74 46.73 2 0 1000.00 -999 ? >THR~F 70 74.16 -24.28 50.98 72.50 -24.33 52.39 73.33 -24.31 51.69 2 0 1000.00 -999 ? >LYS~F 71 77.44 -25.11 52.73 75.36 -22.86 57.06 76.40 -23.99 54.90 2 0 1000.00 -999 ? >ASN~F 72 78.89 -29.00 50.29 80.49 -30.30 49.74 79.69 -29.65 50.02 2 0 1000.00 -999 ? >GLN~F 73 82.16 -23.33 49.19 80.61 -22.12 48.36 81.39 -22.72 48.77 2 0 1000.00 -999 ? >ASP~F 74 83.58 -29.59 46.66 85.36 -28.81 47.52 84.47 -29.20 47.09 2 0 1000.00 -999 ? >PHE~F 75 76.79 -30.53 46.32 74.21 -31.21 45.47 75.50 -30.87 45.89 3 0 1000.00 -999 ? >ILE~F 76 77.93 -25.12 45.09 77.39 -24.03 45.77 77.66 -24.57 45.43 3 0 1000.00 -999 ? >ALA~F 77 80.92 -26.19 41.93 82.38 -26.07 42.38 81.65 -26.13 42.16 2 0 1000.00 -999 ? >PHE~F 78 80.25 -32.28 40.58 79.62 -34.58 39.09 79.94 -33.43 39.84 3 0 1000.00 -999 ? >LYS~F 79 76.70 -29.24 40.15 73.03 -26.44 42.17 74.86 -27.84 41.16 2 0 1000.00 -999 ? >SER~F 80 77.27 -26.02 38.12 77.20 -24.07 39.54 77.23 -25.04 38.83 2 0 1000.00 -999 ? >GLU~F 81 82.13 -28.55 35.54 82.43 -26.60 34.76 82.28 -27.58 35.15 2 0 1000.00 -999 ? >VAL~F 82 77.10 -30.72 35.21 76.59 -32.12 36.87 76.85 -31.42 36.04 3 0 1000.00 -999 ? >ALA~F 83 74.51 -27.94 34.65 74.18 -26.77 35.58 74.34 -27.36 35.12 2 0 1000.00 -999 ? >ASP~F 84 78.26 -26.14 32.06 78.47 -24.31 33.14 78.37 -25.22 32.60 2 0 1000.00 -999 ? >SER~F 85 77.03 -30.10 30.36 77.87 -32.36 30.17 77.45 -31.23 30.26 2 0 1000.00 -999 ? >PHE~F 86 72.21 -32.13 31.96 72.04 -34.74 32.98 72.12 -33.43 32.47 3 0 1000.00 -999 ? >LEU~F 87 73.19 -25.72 29.44 72.24 -23.78 28.98 72.71 -24.75 29.21 3 0 1000.00 -999 ? >ALA~F 88 75.50 -27.70 26.05 76.96 -28.12 26.31 76.23 -27.91 26.18 2 0 1000.00 -999 ? >GLU~F 89 72.95 -33.31 25.25 71.06 -33.37 24.33 72.00 -33.34 24.79 2 0 1000.00 -999 ? >LYS~F 90 70.65 -28.67 23.89 68.01 -29.25 28.59 69.33 -28.96 26.24 2 0 1000.00 -999 ? >ARG~F 91 75.71 -26.03 19.09 78.75 -26.03 19.47 77.23 -26.03 19.28 2 0 1000.00 -999 ? >GLU~F 92 72.08 -30.32 17.08 73.54 -30.21 18.61 72.81 -30.27 17.85 2 0 1000.00 -999 ? >GLN~F 93 66.67 -29.71 21.38 66.14 -30.25 23.35 66.40 -29.98 22.37 2 0 1000.00 -999 ? >VAL~F 94 68.30 -24.09 20.00 69.47 -22.91 21.48 68.88 -23.50 20.74 3 0 1000.00 -999 ? >TYR~F 95 71.88 -24.83 15.96 74.59 -24.27 16.34 73.23 -24.55 16.15 3 0 1000.00 -999 ? >SER~F 96 66.01 -25.62 15.35 64.15 -27.11 15.15 65.08 -26.37 15.25 2 0 1000.00 -999 ? >LYS~F 97 64.18 -22.70 17.03 60.13 -25.33 19.73 62.16 -24.01 18.38 2 0 1000.00 -999 ? >LEU~F 98 68.13 -20.18 15.60 69.49 -18.48 15.32 68.81 -19.33 15.46 3 0 1000.00 -999 ? >MET~F 99 65.91 -21.45 11.98 68.75 -21.36 10.43 67.33 -21.41 11.21 2 0 1000.00 -999 ? >GLN~F 100 61.30 -23.71 13.79 60.66 -24.60 15.61 60.98 -24.16 14.70 2 0 1000.00 -999 ? >LEU~F 101 62.96 -17.20 14.79 62.45 -17.76 16.86 62.71 -17.48 15.82 3 0 1000.00 -999 ? >ILE~F 102 65.66 -17.33 10.15 67.04 -17.04 9.96 66.35 -17.18 10.06 3 0 1000.00 -999 ? >LEU~F 103 62.83 -20.41 7.49 64.82 -20.71 6.59 63.82 -20.56 7.04 3 0 1000.00 -999 ? >GLY~F 104 58.84 -18.67 9.63 59.15 -18.11 9.12 59.00 -18.39 9.37 1 0 1000.00 -999 ? >PRO.F 105 54.63 -18.31 9.85 56.26 -17.01 8.98 55.45 -17.66 9.41 3 0 1000.00 -999 ? >GLN.F 106 55.41 -12.75 11.74 54.45 -12.73 13.63 54.93 -12.74 12.69 2 0 1000.00 -999 ? >PRO.F 107 60.51 -13.15 7.46 60.45 -13.77 9.63 60.48 -13.46 8.54 3 0 1000.00 -999 ? >SER~F 108 63.12 -12.44 12.71 64.01 -12.63 14.99 63.57 -12.53 13.85 2 0 1000.00 -999 ? >VAL~F 109 66.00 -10.00 11.93 66.05 -8.06 10.88 66.03 -9.03 11.40 3 0 1000.00 -999 ? >LYS~F 110 67.51 -10.50 15.39 69.21 -10.15 20.43 68.36 -10.32 17.91 2 0 1000.00 -999 ? >ALA~F 111 67.59 -14.26 14.74 66.38 -15.19 14.52 66.99 -14.73 14.63 2 0 1000.00 -999 ? >MET~F 112 69.27 -13.56 11.37 66.75 -12.11 8.26 68.01 -12.83 9.82 2 0 1000.00 -999 ? >GLN~F 113 73.01 -9.89 14.79 72.67 -8.64 16.46 72.84 -9.26 15.62 2 0 1000.00 -999 ? >LEU~F 114 71.69 -15.11 16.50 71.25 -14.29 18.46 71.47 -14.70 17.48 3 0 1000.00 -999 ? >TYR~F 115 72.29 -17.91 10.33 73.17 -19.59 8.27 72.73 -18.75 9.30 3 0 1000.00 -999 ? >MET~F 116 75.35 -14.51 10.82 73.34 -11.66 8.36 74.34 -13.09 9.59 2 0 1000.00 -999 ? >GLN~F 117 76.85 -11.96 15.13 76.13 -10.98 16.89 76.49 -11.47 16.01 2 0 1000.00 -999 ? >ARG~F 118 77.23 -20.67 15.89 79.71 -22.46 16.23 78.47 -21.56 16.06 2 0 1000.00 -999 ? >PHE~F 119 77.97 -19.75 10.22 76.46 -22.08 10.65 77.21 -20.91 10.43 3 0 1000.00 -999 ? >GLY.F 120 81.58 -14.88 11.80 81.04 -15.01 11.21 81.31 -14.94 11.51 1 0 1000.00 -999 ? >LEU.F 121 78.66 -13.72 8.20 78.61 -15.66 7.19 78.63 -14.69 7.70 3 0 1000.00 -999 ? >LEU.F 122 78.50 -9.27 11.28 76.35 -9.59 10.95 77.42 -9.43 11.11 3 0 1000.00 -999 ? >THR^F 123 82.35 -6.99 10.35 84.00 -6.83 8.93 83.17 -6.91 9.64 2 0 1000.00 -999 ? >ASP^F 124 81.96 -3.96 14.20 83.05 -5.10 15.61 82.51 -4.53 14.91 2 0 1000.00 -999 ? >LYS^F 125 84.99 -1.55 11.43 87.75 0.99 7.72 86.37 -0.28 9.57 2 0 1000.00 -999 ? >LYS^F 126 86.84 0.99 13.55 83.42 -1.43 16.01 85.13 -0.22 14.78 2 0 1000.00 -999 ? >VAL^F 127 88.88 4.01 12.54 88.96 5.14 10.67 88.92 4.57 11.61 3 0 1000.00 -999 ? >ILE^F 128 91.83 3.98 16.26 90.96 3.70 17.41 91.40 3.84 16.84 3 0 1000.00 -999 ? >GLU^F 129 92.50 10.97 15.04 91.26 12.33 13.94 91.88 11.65 14.49 2 0 1000.00 -999 ? >GLY^F 130 94.63 10.18 18.67 95.16 9.75 18.27 94.90 9.96 18.47 1 0 1000.00 -999 ? >ASP.F 131 97.83 11.01 22.12 96.40 11.08 23.71 97.12 11.04 22.92 2 0 1000.00 -999 ? >LEU.G 24 83.33 -14.00 61.47 83.03 -12.55 59.85 83.18 -13.28 60.66 3 0 1000.00 -999 ? >THR~G 25 82.69 -15.68 65.58 81.79 -14.21 66.90 82.24 -14.94 66.24 2 0 1000.00 -999 ? >ALA~G 26 80.54 -18.79 65.13 80.52 -20.00 66.08 80.53 -19.40 65.61 2 0 1000.00 -999 ? >LYS~G 27 77.44 -16.70 65.91 73.63 -18.58 68.13 75.54 -17.64 67.02 2 0 1000.00 -999 ? >GLN~G 28 79.53 -12.12 64.42 81.34 -11.01 64.69 80.44 -11.56 64.56 2 0 1000.00 -999 ? >ILE~G 29 80.00 -17.92 60.64 81.12 -18.62 60.29 80.56 -18.27 60.47 3 0 1000.00 -999 ? >GLN~G 30 73.79 -19.45 63.07 73.11 -19.85 65.06 73.45 -19.65 64.07 2 0 1000.00 -999 ? >ALA~G 31 73.91 -14.81 61.32 74.32 -13.60 62.16 74.12 -14.20 61.74 2 0 1000.00 -999 ? >ALA~G 32 75.34 -14.20 57.84 76.81 -14.18 57.45 76.08 -14.19 57.65 2 0 1000.00 -999 ? >TYR~G 33 75.61 -19.44 56.31 77.86 -20.28 54.88 76.73 -19.86 55.59 3 0 1000.00 -999 ? >LEU~G 34 70.20 -16.73 59.66 68.37 -17.39 60.65 69.29 -17.06 60.16 3 0 1000.00 -999 ? >LEU~G 35 71.16 -12.25 56.83 70.99 -10.72 58.39 71.08 -11.49 57.61 3 0 1000.00 -999 ? >VAL~G 36 71.12 -14.83 53.17 73.02 -14.96 52.05 72.07 -14.89 52.61 3 0 1000.00 -999 ? >GLU~G 37 69.93 -19.94 54.65 70.13 -21.00 56.47 70.03 -20.47 55.56 2 0 1000.00 -999 ? >ASN~G 38 66.01 -14.43 55.41 64.09 -13.77 56.08 65.05 -14.10 55.75 2 0 1000.00 -999 ? >GLU~G 39 67.16 -11.57 51.83 65.44 -10.41 51.36 66.30 -10.99 51.60 2 0 1000.00 -999 ? >LEU~G 40 69.19 -16.48 48.46 69.77 -14.81 47.05 69.48 -15.64 47.75 3 0 1000.00 -999 ? >MET~G 41 66.02 -19.84 49.92 68.18 -23.15 50.66 67.10 -21.50 50.29 2 0 1000.00 -999 ? >GLU.G 42 61.72 -18.17 48.57 59.85 -18.01 47.56 60.78 -18.09 48.06 2 0 1000.00 -999 ? >GLU.G 46 56.42 -17.63 49.99 54.53 -18.00 49.11 55.47 -17.81 49.55 2 0 1000.00 -999 ? >GLU.G 47 55.32 -16.29 56.44 54.50 -18.15 55.82 54.91 -17.22 56.13 2 0 1000.00 -999 ? >LYS.G 48 60.26 -14.49 55.37 62.78 -10.24 51.78 61.52 -12.37 53.57 2 0 1000.00 -999 ? >ARG.G 49 63.97 -16.60 59.71 64.62 -18.67 57.51 64.29 -17.63 58.61 2 0 1000.00 -999 ? >THR~G 50 61.71 -10.23 60.29 60.03 -9.96 61.64 60.87 -10.10 60.96 2 0 1000.00 -999 ? >GLN~G 51 65.64 -6.86 60.16 67.33 -7.67 59.15 66.48 -7.27 59.66 2 0 1000.00 -999 ? >ASP~G 52 62.28 -8.64 65.67 62.62 -6.64 66.31 62.45 -7.64 65.99 2 0 1000.00 -999 ? >GLU~G 53 60.22 -13.24 63.87 58.83 -13.58 62.30 59.53 -13.41 63.08 2 0 1000.00 -999 ? >MET~G 54 66.15 -13.63 63.03 66.79 -13.20 58.89 66.47 -13.42 60.96 2 0 1000.00 -999 ? >ALA~G 55 67.71 -11.95 66.10 67.44 -10.53 66.57 67.57 -11.24 66.33 2 0 1000.00 -999 ? >ASN~G 56 64.07 -14.26 68.42 63.27 -12.55 69.42 63.67 -13.41 68.92 2 0 1000.00 -999 ? >GLU~G 57 66.21 -18.94 64.40 65.55 -19.18 62.40 65.88 -19.06 63.40 2 0 1000.00 -999 ? >LEU~G 58 70.95 -15.34 65.94 71.47 -15.27 63.83 71.21 -15.30 64.88 3 0 1000.00 -999 ? >GLY~G 59 69.77 -15.69 70.39 70.09 -15.19 69.81 69.93 -15.44 70.10 1 0 1000.00 -999 ? >ILE.G 60 72.13 -11.82 68.99 72.89 -12.10 67.79 72.51 -11.96 68.39 3 0 1000.00 -999 ? >ASN~G 61 69.96 -7.65 71.61 68.51 -6.14 72.01 69.24 -6.89 71.81 2 0 1000.00 -999 ? >ARG~G 62 64.98 -4.36 68.45 63.00 -5.56 70.48 63.99 -4.96 69.46 2 0 1000.00 -999 ? >THR~G 63 70.69 -4.04 68.31 70.63 -2.32 69.66 70.66 -3.18 68.98 2 0 1000.00 -999 ? >THR~G 64 73.57 -6.55 67.95 74.37 -8.04 69.30 73.97 -7.29 68.63 2 0 1000.00 -999 ? >LEU~G 65 70.87 -8.34 64.27 70.40 -9.68 62.61 70.63 -9.01 63.44 3 0 1000.00 -999 ? >TRP~G 66 70.37 -1.18 62.51 72.54 1.21 64.76 71.46 0.01 63.63 3 0 1000.00 -999 ? >GLU~G 67 77.42 -3.49 66.28 77.99 -3.26 68.32 77.71 -3.38 67.30 2 0 1000.00 -999 ? >TRP~G 68 77.82 -7.66 65.16 76.52 -11.28 66.03 77.17 -9.47 65.60 3 0 1000.00 -999 ? >ARG~G 69 71.31 -6.62 59.08 69.40 -5.16 57.14 70.36 -5.89 58.11 2 0 1000.00 -999 ? >THR~G 70 76.00 -1.59 59.69 74.34 -0.74 60.84 75.17 -1.16 60.26 2 0 1000.00 -999 ? >LYS~G 71 79.35 -1.28 61.47 75.89 1.96 62.57 77.62 0.34 62.02 2 0 1000.00 -999 ? >ASN~G 72 80.71 -5.84 61.83 82.25 -7.27 62.19 81.48 -6.56 62.01 2 0 1000.00 -999 ? >GLN~G 73 83.74 -2.14 57.25 82.09 -1.74 55.94 82.92 -1.94 56.60 2 0 1000.00 -999 ? >ASP~G 74 85.06 -8.76 59.26 87.06 -8.03 59.30 86.06 -8.39 59.28 2 0 1000.00 -999 ? >PHE~G 75 78.31 -9.52 59.74 75.73 -10.62 59.65 77.02 -10.07 59.69 3 0 1000.00 -999 ? >ILE~G 76 79.41 -5.80 55.46 78.83 -4.48 55.33 79.12 -5.14 55.40 3 0 1000.00 -999 ? >ALA~G 77 82.19 -8.71 53.40 83.69 -8.44 53.63 82.94 -8.58 53.51 2 0 1000.00 -999 ? >PHE~G 78 81.37 -14.31 56.05 80.60 -17.00 56.29 80.99 -15.65 56.17 3 0 1000.00 -999 ? >LYS~G 79 77.81 -12.03 54.06 74.28 -8.50 54.17 76.04 -10.26 54.12 2 0 1000.00 -999 ? >SER~G 80 78.30 -10.72 50.50 78.21 -8.32 50.27 78.26 -9.52 50.38 2 0 1000.00 -999 ? >GLU~G 81 82.94 -13.23 49.76 83.09 -13.08 47.63 83.01 -13.16 48.69 2 0 1000.00 -999 ? >VAL~G 82 77.71 -16.08 51.08 77.14 -16.77 53.12 77.43 -16.42 52.10 3 0 1000.00 -999 ? >ALA~G 83 75.12 -14.21 48.96 74.90 -12.69 48.99 75.01 -13.45 48.97 2 0 1000.00 -999 ? >ASP~G 84 78.75 -14.50 45.73 79.05 -12.44 45.36 78.90 -13.47 45.55 2 0 1000.00 -999 ? >SER~G 85 77.45 -18.60 46.82 78.01 -20.59 48.12 77.73 -19.60 47.47 2 0 1000.00 -999 ? >PHE~G 86 72.68 -18.90 49.53 72.50 -20.25 51.98 72.59 -19.58 50.75 3 0 1000.00 -999 ? >LEU~G 87 73.62 -15.68 43.49 72.66 -14.35 42.02 73.14 -15.01 42.76 3 0 1000.00 -999 ? >ALA~G 88 75.79 -19.35 42.15 77.24 -19.52 42.63 76.51 -19.44 42.39 2 0 1000.00 -999 ? >GLU~G 89 73.40 -24.28 45.14 71.33 -24.69 44.95 72.36 -24.48 45.04 2 0 1000.00 -999 ? >LYS~G 90 70.83 -21.46 41.37 68.22 -20.78 46.06 69.53 -21.12 43.71 2 0 1000.00 -999 ? >ARG~G 91 75.84 -22.67 36.00 78.77 -21.83 36.16 77.31 -22.25 36.08 2 0 1000.00 -999 ? >GLU~G 92 69.89 -26.91 38.51 71.12 -26.69 40.23 70.51 -26.80 39.37 2 0 1000.00 -999 ? >GLN~G 93 66.74 -23.87 40.10 66.05 -23.09 41.95 66.40 -23.48 41.02 2 0 1000.00 -999 ? >VAL~G 94 68.33 -20.24 35.59 69.53 -18.43 36.01 68.93 -19.33 35.80 3 0 1000.00 -999 ? >TYR~G 95 71.82 -23.18 32.78 74.51 -22.40 32.71 73.17 -22.79 32.75 3 0 1000.00 -999 ? >SER~G 96 65.94 -24.25 32.96 64.10 -25.52 33.88 65.02 -24.88 33.42 2 0 1000.00 -999 ? >LYS~G 97 64.08 -20.94 32.52 59.97 -20.73 34.52 62.02 -20.84 33.52 2 0 1000.00 -999 ? >LEU~G 98 67.97 -19.92 29.70 69.38 -18.86 28.40 68.67 -19.39 29.05 3 0 1000.00 -999 ? >MET~G 99 65.58 -23.14 27.79 68.22 -24.39 26.31 66.90 -23.77 27.05 2 0 1000.00 -999 ? >GLN~G 100 61.23 -23.81 30.83 60.64 -23.41 32.83 60.93 -23.61 31.83 2 0 1000.00 -999 ? >LEU~G 101 62.61 -18.01 27.39 62.08 -17.10 29.28 62.35 -17.55 28.33 3 0 1000.00 -999 ? >ILE~G 102 65.18 -21.27 23.84 66.57 -21.27 23.48 65.88 -21.27 23.66 3 0 1000.00 -999 ? >LEU~G 103 61.86 -25.05 24.01 63.72 -26.19 23.71 62.79 -25.62 23.86 3 0 1000.00 -999 ? >GLY~G 104 58.18 -22.25 24.58 58.47 -22.11 23.81 58.33 -22.18 24.19 1 0 1000.00 -999 ? >PRO.G 105 54.13 -20.64 24.65 55.64 -21.24 23.08 54.89 -20.94 23.87 3 0 1000.00 -999 ? >GLN.G 106 54.91 -16.49 23.06 54.25 -15.40 24.74 54.58 -15.95 23.90 2 0 1000.00 -999 ? >PRO.G 107 59.88 -20.05 19.79 59.90 -18.40 21.32 59.89 -19.23 20.55 3 0 1000.00 -999 ? >SER~G 108 62.88 -15.71 22.80 64.04 -14.52 24.59 63.46 -15.11 23.70 2 0 1000.00 -999 ? >VAL~G 109 65.69 -14.65 20.43 65.71 -14.01 18.34 65.70 -14.33 19.39 3 0 1000.00 -999 ? >LYS~G 110 67.30 -12.75 23.31 69.36 -9.73 27.17 68.33 -11.24 25.24 2 0 1000.00 -999 ? >ALA~G 111 67.45 -16.02 25.28 66.26 -16.84 25.78 66.86 -16.43 25.53 2 0 1000.00 -999 ? >MET~G 112 68.99 -17.73 22.23 66.33 -18.66 19.00 67.66 -18.19 20.61 2 0 1000.00 -999 ? >GLN~G 113 72.65 -12.60 22.18 72.23 -10.56 21.78 72.44 -11.58 21.98 2 0 1000.00 -999 ? >LEU~G 114 71.60 -15.49 27.03 71.23 -13.60 28.01 71.41 -14.54 27.52 3 0 1000.00 -999 ? >TYR~G 115 72.00 -21.71 24.30 72.85 -24.39 24.04 72.43 -23.05 24.17 3 0 1000.00 -999 ? >MET~G 116 75.06 -18.88 22.15 72.72 -18.49 18.64 73.89 -18.69 20.40 2 0 1000.00 -999 ? >GLN~G 117 76.51 -14.07 23.70 76.01 -12.21 24.59 76.26 -13.14 24.15 2 0 1000.00 -999 ? >ARG~G 118 77.17 -20.15 29.99 79.80 -21.35 31.07 78.49 -20.75 30.53 2 0 1000.00 -999 ? >PHE~G 119 77.72 -23.25 25.27 76.25 -24.50 27.31 76.98 -23.88 26.29 3 0 1000.00 -999 ? >GLY.G 120 81.30 -18.71 22.86 80.70 -19.20 22.55 81.00 -18.96 22.70 1 0 1000.00 -999 ? >LEU.G 121 78.12 -20.30 19.63 78.02 -22.40 20.10 78.07 -21.35 19.86 3 0 1000.00 -999 ? >LEU.G 122 78.17 -14.99 18.88 76.00 -15.38 18.90 77.09 -15.19 18.89 3 0 1000.00 -999 ? >THR^G 123 82.10 -14.24 16.46 83.85 -15.40 15.92 82.97 -14.82 16.19 2 0 1000.00 -999 ? >ASP^G 124 82.08 -9.51 15.63 79.99 -9.28 15.71 81.04 -9.40 15.67 2 0 1000.00 -999 ? >LYS^G 125 85.23 -9.64 12.61 87.18 -14.10 9.77 86.20 -11.87 11.19 2 0 1000.00 -999 ? >LYS^G 126 86.88 -6.40 13.70 87.57 -3.71 19.12 87.22 -5.05 16.41 2 0 1000.00 -999 ? >VAL^G 127 88.75 -4.24 11.23 88.70 -4.27 9.03 88.73 -4.26 10.13 3 0 1000.00 -999 ? >ILE^G 128 91.54 -1.96 14.24 91.57 -2.00 15.69 91.56 -1.98 14.96 3 0 1000.00 -999 ? >GLU^G 129 91.65 0.25 9.05 90.66 0.62 7.20 91.15 0.43 8.12 2 0 1000.00 -999 ? >GLY.G 130 95.04 3.06 11.97 94.73 3.59 12.57 94.88 3.32 12.27 1 0 1000.00 -999 ? >ASP.G 131 97.98 6.60 13.17 96.79 8.18 12.38 97.39 7.39 12.78 2 0 1000.00 -999 ? >LEU.G 132 97.02 4.98 18.77 95.38 4.54 20.15 96.20 4.76 19.46 3 0 1000.00 -999 ? >ALA~H 15 91.09 19.82 46.75 92.16 18.85 46.25 91.63 19.33 46.50 2 0 1000.00 -999 ? >LYS~H 16 90.18 22.07 43.81 88.73 20.06 38.47 89.46 21.07 41.14 2 0 1000.00 -999 ? >LEU~H 17 86.67 23.19 47.00 84.84 22.11 46.50 85.75 22.65 46.75 3 0 1000.00 -999 ? >ASP~H 18 91.51 23.87 49.11 90.54 22.71 50.56 91.02 23.29 49.84 2 0 1000.00 -999 ? >GLU~H 19 94.45 24.90 44.69 93.95 22.91 45.23 94.20 23.90 44.96 2 0 1000.00 -999 ? >LEU~H 20 88.52 27.77 43.54 88.59 27.21 41.42 88.56 27.49 42.48 3 0 1000.00 -999 ? >LYS~H 21 88.52 29.23 47.98 87.69 25.44 52.32 88.10 27.34 50.15 2 0 1000.00 -999 ? >GLN~H 22 94.24 31.64 49.18 95.65 31.13 50.71 94.95 31.39 49.94 2 0 1000.00 -999 ? >LYS.H 23 90.90 33.84 46.21 95.75 34.10 43.93 93.32 33.97 45.07 2 0 1000.00 -999 ? >LEU.H 24 86.41 33.68 47.44 85.62 33.26 45.45 86.01 33.47 46.45 3 0 1000.00 -999 ? >THR~H 25 86.25 36.47 50.94 85.33 38.41 50.47 85.79 37.44 50.70 2 0 1000.00 -999 ? >ALA~H 26 84.20 34.68 53.60 84.24 35.03 55.08 84.22 34.86 54.34 2 0 1000.00 -999 ? >LYS~H 27 81.17 36.55 52.27 77.75 37.88 55.27 79.46 37.22 53.77 2 0 1000.00 -999 ? >GLN~H 28 83.04 37.35 47.38 84.81 37.93 46.35 83.93 37.64 46.87 2 0 1000.00 -999 ? >ILE~H 29 83.37 31.41 50.78 84.53 30.84 51.10 83.95 31.12 50.94 3 0 1000.00 -999 ? >GLN~H 30 78.18 31.92 54.22 76.52 30.52 54.04 77.35 31.22 54.13 2 0 1000.00 -999 ? >ALA~H 31 77.31 33.59 48.68 77.80 34.87 47.99 77.55 34.23 48.34 2 0 1000.00 -999 ? >ALA~H 32 78.48 30.76 46.39 79.93 30.35 46.16 79.21 30.56 46.28 2 0 1000.00 -999 ? >TYR~H 33 78.70 27.00 50.21 81.08 25.56 50.29 79.89 26.28 50.25 3 0 1000.00 -999 ? >LEU~H 34 73.41 31.22 49.72 73.02 31.32 51.87 73.22 31.27 50.80 3 0 1000.00 -999 ? >LEU~H 35 74.30 31.36 44.34 74.35 33.49 43.97 74.32 32.43 44.16 3 0 1000.00 -999 ? >VAL~H 36 74.01 26.89 44.37 75.78 25.58 44.14 74.90 26.23 44.25 3 0 1000.00 -999 ? >GLU~H 37 70.32 25.20 49.15 70.27 25.66 51.21 70.30 25.43 50.18 2 0 1000.00 -999 ? >ASN~H 38 68.97 29.55 45.44 67.05 30.46 45.20 68.01 30.00 45.32 2 0 1000.00 -999 ? >GLU~H 39 71.96 27.02 41.05 73.56 27.96 40.02 72.76 27.49 40.53 2 0 1000.00 -999 ? >LEU~H 40 70.80 22.68 42.90 72.62 22.34 41.70 71.71 22.51 42.30 3 0 1000.00 -999 ? >MET~H 41 66.18 23.59 43.89 64.79 26.23 46.74 65.48 24.91 45.32 2 0 1000.00 -999 ? >GLU.H 42 62.40 20.29 42.49 61.17 19.59 44.06 61.78 19.94 43.28 2 0 1000.00 -999 ? >SER.H 43 62.38 25.30 39.21 62.19 23.85 37.26 62.29 24.58 38.23 2 0 1000.00 -999 ? >GLU.H 46 59.31 24.40 46.78 61.27 24.54 45.97 60.29 24.47 46.37 2 0 1000.00 -999 ? >GLU.H 47 61.04 27.43 50.82 61.71 25.90 52.13 61.38 26.66 51.48 2 0 1000.00 -999 ? >LYS.H 48 63.29 29.52 46.09 65.48 28.25 40.85 64.38 28.89 43.47 2 0 1000.00 -999 ? >ARG.H 49 66.37 32.32 49.78 66.61 29.24 49.99 66.49 30.78 49.88 2 0 1000.00 -999 ? >THR.H 50 65.10 35.92 44.13 63.46 37.35 44.20 64.28 36.63 44.16 2 0 1000.00 -999 ? >GLN~H 51 69.26 36.87 41.21 70.78 35.44 41.67 70.02 36.15 41.44 2 0 1000.00 -999 ? >ASP~H 52 66.28 41.51 45.28 66.74 42.64 43.55 66.51 42.08 44.42 2 0 1000.00 -999 ? >GLU~H 53 63.49 37.93 48.10 61.85 36.66 47.65 62.67 37.29 47.88 2 0 1000.00 -999 ? >MET~H 54 69.60 36.59 48.15 69.77 32.89 46.52 69.68 34.74 47.34 2 0 1000.00 -999 ? >ALA~H 55 71.25 39.89 49.08 71.05 41.10 48.18 71.15 40.50 48.63 2 0 1000.00 -999 ? >ASN.H 56 67.87 40.35 52.54 66.91 41.92 51.46 67.39 41.14 52.00 2 0 1000.00 -999 ? >GLU.H 57 70.69 34.71 54.73 70.52 32.74 53.96 70.61 33.73 54.34 2 0 1000.00 -999 ? >LEU.H 58 74.70 37.67 51.68 75.31 35.82 50.70 75.00 36.75 51.19 3 0 1000.00 -999 ? >GLY.H 59 73.80 41.65 53.90 74.12 41.36 53.20 73.96 41.50 53.55 1 0 1000.00 -999 ? >ILE.H 60 76.15 42.13 49.88 76.77 41.01 49.47 76.46 41.57 49.67 3 0 1000.00 -999 ? >ASN~H 61 74.65 46.53 47.22 73.84 47.30 45.39 74.24 46.91 46.30 2 0 1000.00 -999 ? >ARG~H 62 69.29 45.51 42.88 69.25 43.47 40.56 69.27 44.49 41.72 2 0 1000.00 -999 ? >THR~H 63 74.80 44.90 42.14 74.69 46.91 41.31 74.75 45.90 41.72 2 0 1000.00 -999 ? >THR~H 64 77.62 43.36 44.20 78.51 44.03 46.06 78.07 43.69 45.13 2 0 1000.00 -999 ? >LEU~H 65 74.82 39.38 44.69 74.33 37.38 45.43 74.57 38.38 45.06 3 0 1000.00 -999 ? >TRP~H 66 73.50 40.42 37.51 75.85 42.69 35.31 74.67 41.55 36.41 3 0 1000.00 -999 ? >GLU~H 67 79.57 43.89 39.45 80.59 43.82 37.59 80.08 43.86 38.52 2 0 1000.00 -999 ? >TRP~H 68 81.47 39.87 43.94 80.11 39.28 47.59 80.79 39.58 45.76 3 0 1000.00 -999 ? >ARG~H 69 74.37 35.10 40.68 72.59 36.45 38.55 73.48 35.78 39.62 2 0 1000.00 -999 ? >THR~H 70 78.75 37.36 36.14 77.09 38.76 35.99 77.92 38.06 36.07 2 0 1000.00 -999 ? >LYS~H 71 82.09 39.22 36.13 82.04 44.26 34.20 82.06 41.74 35.16 2 0 1000.00 -999 ? >ASN~H 72 83.79 37.74 40.35 85.42 37.54 41.71 84.61 37.64 41.03 2 0 1000.00 -999 ? >GLN~H 73 87.31 33.74 35.28 85.51 33.55 34.12 86.41 33.65 34.70 2 0 1000.00 -999 ? >ASP~H 74 88.18 34.00 41.72 90.18 34.16 41.02 89.18 34.08 41.37 2 0 1000.00 -999 ? >PHE~H 75 81.52 34.39 42.92 79.09 33.95 44.22 80.31 34.17 43.57 3 0 1000.00 -999 ? >ILE~H 76 82.42 32.23 37.52 81.95 32.83 36.36 82.18 32.53 36.94 3 0 1000.00 -999 ? >ALA~H 77 84.93 28.84 39.15 86.43 29.02 38.95 85.68 28.93 39.05 2 0 1000.00 -999 ? >PHE~H 78 84.37 28.68 45.35 83.85 27.67 47.90 84.11 28.18 46.62 3 0 1000.00 -999 ? >LYS~H 79 80.59 28.22 42.42 75.85 29.31 40.14 78.22 28.76 41.28 2 0 1000.00 -999 ? >SER~H 80 80.93 25.46 39.78 81.21 26.61 37.69 81.07 26.03 38.74 2 0 1000.00 -999 ? >GLU~H 81 85.44 23.49 41.81 85.49 21.72 40.63 85.47 22.61 41.22 2 0 1000.00 -999 ? >VAL~H 82 80.32 24.01 44.88 79.93 25.67 46.28 80.12 24.84 45.58 3 0 1000.00 -999 ? >ALA~H 83 77.51 22.79 42.53 77.19 23.35 41.15 77.35 23.07 41.84 2 0 1000.00 -999 ? >ASP~H 84 80.80 19.36 41.41 80.83 19.53 39.29 80.81 19.44 40.35 2 0 1000.00 -999 ? >SER~H 85 79.84 19.22 45.79 80.37 19.91 48.06 80.10 19.56 46.92 2 0 1000.00 -999 ? >PHE~H 86 73.82 20.97 46.15 71.14 21.04 47.02 72.48 21.00 46.59 3 0 1000.00 -999 ? >LEU~H 87 75.41 16.84 42.42 74.12 17.71 40.90 74.77 17.27 41.66 3 0 1000.00 -999 ? >ALA~H 88 77.89 14.66 45.46 79.40 15.05 45.59 78.65 14.85 45.53 2 0 1000.00 -999 ? >GLU~H 89 76.09 16.27 51.22 74.04 16.09 51.80 75.07 16.18 51.51 2 0 1000.00 -999 ? >LYS~H 90 73.06 13.59 47.84 73.09 18.27 48.77 73.07 15.93 48.31 2 0 1000.00 -999 ? >ARG~H 91 77.72 7.86 47.16 80.65 8.11 46.31 79.18 7.99 46.74 2 0 1000.00 -999 ? >GLU~H 92 72.39 9.51 52.23 73.86 11.01 52.43 73.12 10.26 52.33 2 0 1000.00 -999 ? >GLN~H 93 69.12 12.03 50.13 68.60 14.07 50.02 68.86 13.05 50.08 2 0 1000.00 -999 ? >VAL~H 94 70.09 8.63 45.28 71.23 9.34 43.53 70.66 8.99 44.40 3 0 1000.00 -999 ? >TYR~H 95 73.46 4.85 47.14 76.10 4.84 46.25 74.78 4.84 46.70 3 0 1000.00 -999 ? >SER~H 96 67.63 5.07 48.51 65.86 5.75 50.00 66.74 5.41 49.26 2 0 1000.00 -999 ? >LYS~H 97 65.64 5.65 45.31 61.92 9.37 46.64 63.78 7.51 45.97 2 0 1000.00 -999 ? >LEU~H 98 69.25 2.92 43.44 70.46 1.80 42.00 69.85 2.36 42.72 3 0 1000.00 -999 ? >MET~H 99 66.84 0.41 46.26 69.43 -1.51 47.10 68.14 -0.55 46.68 2 0 1000.00 -999 ? >GLN~H 100 62.80 3.38 47.84 62.09 5.36 48.15 62.44 4.37 48.00 2 0 1000.00 -999 ? >LEU~H 101 63.78 1.39 41.33 63.00 3.14 40.32 63.39 2.27 40.82 3 0 1000.00 -999 ? >ILE~H 102 66.10 -2.99 43.56 67.47 -3.44 43.43 66.79 -3.21 43.50 3 0 1000.00 -999 ? >LEU~H 103 62.85 -3.36 47.45 64.63 -4.17 48.44 63.74 -3.77 47.94 3 0 1000.00 -999 ? >GLY~H 104 59.14 -2.26 44.77 59.44 -2.96 44.52 59.29 -2.61 44.64 1 0 1000.00 -999 ? >PRO.H 105 54.88 -2.10 43.67 56.57 -3.60 43.57 55.72 -2.85 43.62 3 0 1000.00 -999 ? >GLN.H 106 55.46 -2.47 39.07 54.42 -1.58 37.44 54.94 -2.03 38.26 2 0 1000.00 -999 ? >PRO.H 107 60.54 -6.38 41.57 60.59 -4.54 40.29 60.57 -5.46 40.93 3 0 1000.00 -999 ? >SER~H 108 63.47 -2.59 37.90 64.75 -0.63 37.18 64.11 -1.61 37.54 2 0 1000.00 -999 ? >VAL~H 109 66.04 -4.79 36.16 65.86 -6.69 35.03 65.95 -5.74 35.59 3 0 1000.00 -999 ? >LYS~H 110 67.81 -1.64 35.00 69.64 2.35 32.22 68.72 0.36 33.61 2 0 1000.00 -999 ? >ALA~H 111 68.16 -0.54 38.67 67.04 -0.24 39.65 67.60 -0.39 39.16 2 0 1000.00 -999 ? >MET~H 112 69.59 -4.01 39.44 66.82 -7.20 39.78 68.20 -5.61 39.61 2 0 1000.00 -999 ? >GLN~H 113 73.05 -3.16 34.33 72.75 -1.99 32.59 72.90 -2.57 33.46 2 0 1000.00 -999 ? >LEU~H 114 72.36 1.01 38.22 72.05 2.52 36.74 72.20 1.76 37.48 3 0 1000.00 -999 ? >TYR~H 115 72.93 -3.02 43.65 73.87 -3.94 46.14 73.40 -3.48 44.90 3 0 1000.00 -999 ? >MET~H 116 75.72 -4.51 40.19 73.11 -7.75 39.14 74.41 -6.13 39.66 2 0 1000.00 -999 ? >GLN~H 117 77.01 -1.96 35.75 76.41 -0.64 34.21 76.71 -1.30 34.98 2 0 1000.00 -999 ? >ARG~H 118 78.35 2.68 43.05 81.08 3.36 44.30 79.72 3.02 43.67 2 0 1000.00 -999 ? >PHE~H 119 78.87 -2.69 44.96 77.66 -0.96 46.80 78.26 -1.83 45.88 3 0 1000.00 -999 ? >GLY.H 120 81.92 -4.07 39.65 81.37 -4.46 40.11 81.65 -4.27 39.88 1 0 1000.00 -999 ? >LEU.H 121 78.71 -7.43 40.73 78.78 -7.31 42.91 78.74 -7.37 41.82 3 0 1000.00 -999 ? >LEU.H 122 78.20 -6.88 35.36 76.05 -6.79 35.80 77.13 -6.83 35.58 3 0 1000.00 -999 ? >THR^H 123 81.87 -9.26 33.73 83.57 -10.47 34.40 82.72 -9.87 34.06 2 0 1000.00 -999 ? >ASP^H 124 81.85 -8.16 29.01 80.14 -7.01 29.49 80.99 -7.58 29.25 2 0 1000.00 -999 ? >LYS^H 125 84.32 -12.06 28.58 85.28 -15.35 31.57 84.80 -13.71 30.08 2 0 1000.00 -999 ? >LYS^H 126 86.07 -11.49 25.26 82.40 -7.92 24.90 84.24 -9.70 25.08 2 0 1000.00 -999 ? >VAL^H 127 88.12 -13.97 23.23 88.00 -16.16 23.40 88.06 -15.07 23.32 3 0 1000.00 -999 ? >ILE^H 128 90.91 -10.86 21.12 90.93 -9.49 21.31 90.92 -10.17 21.21 3 0 1000.00 -999 ? >GLU^H 129 91.44 -16.17 17.66 89.67 -17.29 17.53 90.55 -16.73 17.59 2 0 1000.00 -999 ? >GLY.H 130 94.84 -11.82 15.97 94.37 -12.18 15.46 94.60 -12.00 15.72 1 0 1000.00 -999 ? >LYS.I 23 87.20 -41.61 12.91 85.10 -39.39 9.74 86.15 -40.50 11.32 2 0 1000.00 -999 ? >LEU.I 24 82.63 -42.34 12.82 82.24 -40.53 13.99 82.44 -41.43 13.41 3 0 1000.00 -999 ? >THR~I 25 82.12 -46.38 11.23 81.40 -47.68 12.82 81.76 -47.03 12.02 2 0 1000.00 -999 ? >ALA~I 26 79.78 -45.97 8.22 79.71 -46.95 7.05 79.75 -46.46 7.63 2 0 1000.00 -999 ? >LYS~I 27 76.60 -46.52 10.28 77.07 -49.20 6.62 76.83 -47.86 8.45 2 0 1000.00 -999 ? >GLN~I 28 79.04 -45.24 14.88 80.90 -45.45 15.91 79.97 -45.35 15.39 2 0 1000.00 -999 ? >ILE~I 29 79.42 -41.54 9.00 80.57 -41.28 8.36 80.00 -41.41 8.68 3 0 1000.00 -999 ? >GLN~I 30 75.00 -43.88 6.74 74.26 -45.68 5.85 74.63 -44.78 6.30 2 0 1000.00 -999 ? >ALA~I 31 73.50 -42.23 12.33 73.97 -43.18 13.42 73.73 -42.71 12.88 2 0 1000.00 -999 ? >ALA~I 32 74.86 -38.73 13.04 76.34 -38.35 13.04 75.60 -38.54 13.04 2 0 1000.00 -999 ? >TYR~I 33 75.17 -36.96 7.83 77.43 -35.67 6.83 76.30 -36.31 7.33 3 0 1000.00 -999 ? >LEU~I 34 69.88 -40.29 10.56 68.09 -41.50 10.14 68.98 -40.89 10.35 3 0 1000.00 -999 ? >LEU~I 35 70.43 -37.86 15.24 70.19 -37.33 17.37 70.31 -37.59 16.30 3 0 1000.00 -999 ? >VAL~I 36 70.68 -33.81 13.36 72.55 -32.63 13.26 71.62 -33.22 13.31 3 0 1000.00 -999 ? >GLU~I 37 69.10 -35.06 8.37 68.93 -36.80 7.18 69.01 -35.93 7.78 2 0 1000.00 -999 ? >ASN~I 38 65.61 -35.28 14.31 63.70 -36.00 14.89 64.65 -35.64 14.60 2 0 1000.00 -999 ? >GLU.I 39 66.50 -31.15 16.89 64.77 -30.68 18.05 65.64 -30.92 17.47 2 0 1000.00 -999 ? >LEU.I 40 69.08 -28.96 11.65 69.97 -27.41 12.88 69.53 -28.19 12.26 3 0 1000.00 -999 ? >LYS.I 48 59.68 -35.62 12.99 61.78 -31.52 16.06 60.73 -33.57 14.52 2 0 1000.00 -999 ? >ARG.I 49 62.12 -40.99 12.68 63.68 -38.75 11.23 62.90 -39.87 11.96 2 0 1000.00 -999 ? >THR~I 50 60.59 -38.57 19.13 58.60 -39.23 19.71 59.59 -38.90 19.42 2 0 1000.00 -999 ? >GLN~I 51 63.94 -37.99 23.17 65.96 -37.59 22.59 64.95 -37.79 22.88 2 0 1000.00 -999 ? >ASP~I 52 61.02 -44.01 22.38 60.98 -46.15 22.49 61.00 -45.08 22.44 2 0 1000.00 -999 ? >GLU~I 53 58.80 -42.52 17.28 57.68 -41.34 15.92 58.24 -41.93 16.60 2 0 1000.00 -999 ? >MET~I 54 64.75 -42.26 17.12 65.83 -38.26 16.84 65.29 -40.26 16.98 2 0 1000.00 -999 ? >ALA~I 55 66.06 -44.95 19.50 65.73 -45.04 20.99 65.90 -44.99 20.24 2 0 1000.00 -999 ? >ASN~I 56 62.51 -47.64 17.58 61.65 -49.49 18.20 62.08 -48.57 17.89 2 0 1000.00 -999 ? >GLU~I 57 64.16 -44.86 12.65 64.72 -45.43 10.67 64.44 -45.14 11.66 2 0 1000.00 -999 ? >LEU~I 58 69.62 -45.74 16.53 70.36 -43.70 16.35 69.99 -44.72 16.44 3 0 1000.00 -999 ? >GLY~I 59 68.44 -50.21 16.82 68.76 -49.56 17.23 68.60 -49.89 17.02 1 0 1000.00 -999 ? >ILE.I 60 70.80 -48.04 20.35 71.44 -46.88 20.02 71.12 -47.46 20.19 3 0 1000.00 -999 ? >ASN~I 61 68.75 -49.96 24.94 67.23 -50.95 26.06 67.99 -50.46 25.50 2 0 1000.00 -999 ? >ARG~I 62 62.44 -46.52 25.50 60.90 -48.16 27.61 61.67 -47.34 26.56 2 0 1000.00 -999 ? >THR~I 63 68.76 -46.09 28.10 68.70 -47.30 29.91 68.73 -46.70 29.01 2 0 1000.00 -999 ? >THR~I 64 71.81 -46.13 25.77 72.70 -47.83 24.73 72.25 -46.98 25.25 2 0 1000.00 -999 ? >LEU~I 65 69.18 -42.80 23.37 68.46 -41.63 21.67 68.82 -42.22 22.52 3 0 1000.00 -999 ? >TRP~I 66 69.69 -39.76 30.34 71.09 -42.30 33.01 70.39 -41.03 31.68 3 0 1000.00 -999 ? >GLU~I 67 73.57 -44.69 29.31 74.03 -44.59 31.38 73.80 -44.64 30.35 2 0 1000.00 -999 ? >TRP~I 68 76.50 -43.45 24.27 75.03 -45.11 21.02 75.76 -44.28 22.65 3 0 1000.00 -999 ? >ARG~I 69 69.97 -37.43 23.67 68.01 -35.23 24.60 68.99 -36.33 24.13 2 0 1000.00 -999 ? >PHE.I 75 77.20 -38.43 21.67 74.71 -38.96 20.48 75.96 -38.69 21.07 3 0 1000.00 -999 ? >ILE.I 76 79.17 -33.05 22.21 78.70 -32.67 23.24 78.93 -32.86 22.72 3 0 1000.00 -999 ? >ALA~I 77 82.04 -33.93 18.22 83.21 -34.85 18.52 82.63 -34.39 18.37 2 0 1000.00 -999 ? >PHE~I 78 81.00 -36.72 12.66 80.29 -36.95 9.95 80.64 -36.84 11.31 3 0 1000.00 -999 ? >LYS~I 79 77.44 -34.89 15.20 73.71 -34.94 19.58 75.57 -34.92 17.39 2 0 1000.00 -999 ? >SER~I 80 78.01 -31.28 16.35 77.81 -30.62 18.66 77.91 -30.95 17.51 2 0 1000.00 -999 ? >GLU~I 81 82.06 -30.54 11.62 82.46 -28.46 11.81 82.26 -29.50 11.71 2 0 1000.00 -999 ? >VAL~I 82 77.22 -31.89 11.07 76.81 -34.04 11.40 77.01 -32.97 11.24 3 0 1000.00 -999 ? >ALA~I 83 74.80 -29.69 13.03 74.66 -29.71 14.54 74.73 -29.70 13.79 2 0 1000.00 -999 ? >ASP~I 84 78.36 -26.39 12.84 78.42 -25.75 14.87 78.39 -26.07 13.85 2 0 1000.00 -999 ? >SER~I 85 77.25 -27.90 8.76 77.85 -29.44 6.96 77.55 -28.67 7.86 2 0 1000.00 -999 ? >PHE~I 86 72.41 -30.47 8.95 72.13 -33.12 8.03 72.27 -31.80 8.49 3 0 1000.00 -999 ? >LEU~I 87 73.36 -24.04 11.10 72.40 -22.79 12.62 72.88 -23.41 11.86 3 0 1000.00 -999 ? >ALA~I 88 75.86 -23.40 7.44 77.30 -24.00 7.44 76.58 -23.70 7.44 2 0 1000.00 -999 ? >GLU~I 89 73.68 -26.77 2.66 71.65 -26.63 2.05 72.67 -26.70 2.36 2 0 1000.00 -999 ? >LYS~I 90 71.00 -22.79 4.77 70.55 -27.53 5.67 70.78 -25.16 5.22 2 0 1000.00 -999 ? >ARG~I 91 76.31 -17.75 3.47 79.21 -17.91 4.43 77.76 -17.83 3.95 2 0 1000.00 -999 ? >GLU~I 92 72.10 -20.21 -1.01 71.87 -22.09 -0.09 71.98 -21.15 -0.55 2 0 1000.00 -999 ? >GLN~I 93 67.14 -21.69 2.05 66.37 -23.48 2.89 66.76 -22.59 2.47 2 0 1000.00 -999 ? >VAL~I 94 68.67 -16.86 5.30 69.80 -17.08 7.18 69.23 -16.97 6.24 3 0 1000.00 -999 ? >TYR~I 95 72.41 -14.44 2.26 75.08 -14.40 3.16 73.74 -14.42 2.71 3 0 1000.00 -999 ? >SER~I 96 66.56 -14.52 0.92 64.68 -15.49 -0.23 65.62 -15.01 0.34 2 0 1000.00 -999 ? >LYS~I 97 64.58 -13.64 4.07 60.44 -17.34 4.19 62.51 -15.49 4.13 2 0 1000.00 -999 ? >LEU~I 98 68.54 -10.83 4.85 69.94 -9.46 5.86 69.24 -10.15 5.36 3 0 1000.00 -999 ? >MET~I 99 66.35 -9.27 1.33 69.16 -8.09 -0.04 67.76 -8.68 0.64 2 0 1000.00 -999 ? >GLN~I 100 61.84 -12.10 0.75 61.00 -14.01 1.15 61.42 -13.05 0.95 2 0 1000.00 -999 ? >LEU~I 101 63.29 -8.10 6.20 62.36 -9.26 7.76 62.82 -8.68 6.98 3 0 1000.00 -999 ? >ILE~I 102 66.09 -5.12 2.68 67.48 -4.83 2.67 66.79 -4.98 2.67 3 0 1000.00 -999 ? >LEU~I 103 62.92 -5.65 -1.18 64.78 -5.32 -2.27 63.85 -5.48 -1.73 3 0 1000.00 -999 ? >GLY~I 104 59.05 -5.64 1.51 59.40 -4.88 1.51 59.22 -5.26 1.51 1 0 1000.00 -999 ? >PRO.I 105 54.87 -4.97 2.73 56.62 -3.76 2.03 55.75 -4.37 2.38 3 0 1000.00 -999 ? >GLN.I 106 55.56 -2.61 6.82 54.57 -4.29 7.71 55.06 -3.45 7.27 2 0 1000.00 -999 ? >PRO.I 107 60.97 -0.58 3.03 60.81 -1.90 4.81 60.89 -1.24 3.92 3 0 1000.00 -999 ? >SER~I 108 63.54 -3.14 7.83 64.48 -4.80 9.35 64.01 -3.97 8.59 2 0 1000.00 -999 ? >VAL~I 109 66.32 -0.76 8.81 66.60 1.00 10.12 66.46 0.12 9.47 3 0 1000.00 -999 ? >LYS~I 110 67.78 -3.42 11.11 68.68 -6.33 15.21 68.23 -4.87 13.16 2 0 1000.00 -999 ? >ALA~I 111 67.96 -5.84 8.14 66.80 -6.35 7.34 67.38 -6.09 7.74 2 0 1000.00 -999 ? >MET~I 112 69.73 -3.07 6.15 67.23 0.06 4.70 68.48 -1.51 5.42 2 0 1000.00 -999 ? >GLN~I 113 72.90 -2.48 11.54 72.21 -1.77 13.41 72.56 -2.13 12.47 2 0 1000.00 -999 ? >LEU~I 114 72.04 -7.65 9.22 71.45 -8.39 11.16 71.74 -8.02 10.19 3 0 1000.00 -999 ? >TYR~I 115 72.78 -5.84 2.76 73.80 -5.95 0.14 73.29 -5.90 1.45 3 0 1000.00 -999 ? >MET~I 116 75.92 -3.51 5.45 74.20 0.33 4.91 75.06 -1.59 5.18 2 0 1000.00 -999 ? >GLN~I 117 76.96 -4.48 10.68 75.76 -4.88 12.41 76.36 -4.68 11.54 2 0 1000.00 -999 ? >ARG~I 118 77.67 -11.37 5.38 80.17 -12.86 4.39 78.92 -12.12 4.88 2 0 1000.00 -999 ? >PHE~I 119 78.65 -7.15 1.79 77.21 -9.28 0.67 77.93 -8.22 1.23 3 0 1000.00 -999 ? >GLY.I 120 82.05 -4.39 6.24 81.51 -4.10 5.67 81.78 -4.25 5.95 1 0 1000.00 -999 ? >LEU.I 121 79.23 -1.22 4.07 79.20 -2.05 2.05 79.22 -1.63 3.06 3 0 1000.00 -999 ? >LEU.I 122 78.71 0.02 9.31 76.61 0.07 8.75 77.66 0.04 9.03 3 0 1000.00 -999 ? >THR^I 123 82.63 2.47 10.11 84.37 3.36 9.15 83.50 2.92 9.63 2 0 1000.00 -999 ? >ASP^I 124 82.30 2.88 14.90 80.47 1.84 14.55 81.39 2.36 14.73 2 0 1000.00 -999 ? >LYS^I 125 85.31 6.44 14.24 87.02 11.79 13.21 86.17 9.11 13.72 2 0 1000.00 -999 ? >LYS^I 126 87.05 6.90 17.59 82.73 3.83 19.04 84.89 5.36 18.32 2 0 1000.00 -999 ? >VAL^I 127 89.24 9.80 18.67 89.32 11.82 17.81 89.28 10.81 18.24 3 0 1000.00 -999 ? >ILE^I 128 91.75 7.30 21.77 91.62 5.94 22.08 91.68 6.62 21.93 3 0 1000.00 -999 ? >GLU^I 129 92.33 13.34 22.78 91.11 15.07 22.78 91.72 14.20 22.78 2 0 1000.00 -999 ? >GLY^I 130 94.75 11.14 27.46 95.17 10.91 26.78 94.96 11.03 27.12 1 0 1000.00 -999 ? >ASP.I 131 98.68 9.57 29.03 98.41 10.60 30.88 98.55 10.08 29.96 2 0 1000.00 -999 ? >LEU.I 132 96.95 4.45 30.24 96.63 3.11 28.53 96.79 3.78 29.39 3 0 1000.00 -999 ? >GLY.I 133 101.16 4.25 32.33 100.54 4.21 32.88 100.85 4.23 32.60 1 0 1000.00 -999 ?