REMARK SOURCE hebe.pdb HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 17-NOV-06 2NXO COMPND HYPOTHETICAL PROTEIN SCO4506; COMPND 3 CHAIN: A, B, C, D; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOMYCES COELICOLOR; SOURCE 3 ORGANISM_TAXID: 1902; SOURCE 4 GENE: Q9L0T8; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 6 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 7 EXPRESSION_SYSTEM_STRAIN: DE3; SOURCE 8 EXPRESSION_SYSTEM_VECTOR_TYPE: PET; SOURCE 9 EXPRESSION_SYSTEM_PLASMID: T7 AUTHOR R.TYAGI,S.ESWARAMOORTHY,S.K.BURLEY,S.SWAMINATHAN,NEW YORK AUTHOR 2 SGX RESEARCH CENTER FOR STRUCTURAL GENOMICS (NYSGXRC) >THR.A 5 57.66 -4.63 -6.02 55.58 -4.44 -6.50 56.62 -4.53 -6.26 2 0 1000.00 -999 ? >ARG.A 6 60.91 0.17 -9.09 61.18 -1.69 -11.50 61.04 -0.76 -10.29 2 0 1000.00 -999 ? >PRO.A 7 61.14 0.87 -2.38 59.14 0.21 -3.13 60.14 0.54 -2.75 3 0 1000.00 -999 ? >ARG^A 8 52.91 1.98 -3.37 51.06 1.56 -0.96 51.99 1.77 -2.17 2 0 1000.00 -999 ? >VAL^A 9 58.63 6.54 -2.07 60.78 6.23 -1.78 59.71 6.39 -1.93 3 0 1000.00 -999 ? >GLY^A 10 57.57 10.13 -1.53 58.37 9.89 -1.49 57.97 10.01 -1.51 1 0 1000.00 -999 ? >HIS^A 11 61.72 13.77 -3.78 63.52 14.86 -3.80 62.62 14.31 -3.79 3 0 1000.00 -999 ? >ILE^A 12 59.68 17.58 -0.37 59.69 18.13 0.85 59.68 17.86 0.24 3 0 1000.00 -999 ? >GLN.A 13 56.60 20.17 -4.91 54.70 20.48 -5.82 55.65 20.32 -5.37 2 0 1000.00 -999 ? >PHE~A 14 58.66 22.70 -1.73 55.98 23.35 -1.19 57.32 23.03 -1.46 3 0 1000.00 -999 ? >LEU~A 15 64.30 24.64 -4.23 64.54 25.60 -6.13 64.42 25.12 -5.18 3 0 1000.00 -999 ? >ASN~A 16 64.10 22.22 0.80 62.18 21.28 0.80 63.14 21.75 0.80 2 0 1000.00 -999 ? >CYH~A 17 65.01 18.47 -1.73 63.65 17.33 0.45 64.33 17.90 -0.64 2 0 1000.00 -999 ? >LEU~A 18 66.26 20.43 -6.04 66.12 20.47 -8.21 66.19 20.45 -7.12 3 0 1000.00 -999 ? >PRO~A 19 69.92 20.57 -3.34 69.20 18.70 -4.32 69.56 19.63 -3.83 3 0 1000.00 -999 ? >LEU~A 20 67.68 14.99 -1.63 67.49 13.20 -0.44 67.58 14.09 -1.03 3 0 1000.00 -999 ? >TYR~A 21 65.00 14.53 -7.78 63.77 13.19 -9.90 64.38 13.86 -8.84 3 0 1000.00 -999 ? >TRP~A 22 73.35 15.85 -7.73 73.78 16.94 -11.49 73.57 16.40 -9.61 3 0 1000.00 -999 ? >GLY~A 23 71.63 12.54 -5.65 70.93 12.43 -6.07 71.28 12.49 -5.86 1 0 1000.00 -999 ? >LEU~A 24 67.42 10.18 -5.82 66.49 9.81 -3.91 66.95 9.99 -4.87 3 0 1000.00 -999 ? >ALA~A 25 69.27 10.23 -9.90 68.87 11.46 -10.72 69.07 10.84 -10.31 2 0 1000.00 -999 ? >ARG~A 26 75.22 13.24 -10.60 77.66 11.49 -11.23 76.44 12.36 -10.91 2 0 1000.00 -999 ? >THR~A 27 73.47 7.22 -8.06 73.01 7.72 -6.02 73.24 7.47 -7.04 2 0 1000.00 -999 ? >GLY~A 28 70.78 5.36 -10.02 70.63 5.64 -9.26 70.71 5.50 -9.64 1 0 1000.00 -999 ? >THR~A 29 68.64 5.02 -6.87 69.03 5.55 -4.81 68.83 5.29 -5.84 2 0 1000.00 -999 ? >LEU~A 30 65.47 7.52 -9.60 64.95 9.58 -9.24 65.21 8.55 -9.42 3 0 1000.00 -999 ? >LEU~A 31 66.25 2.63 -11.68 67.04 3.83 -13.33 66.64 3.23 -12.51 3 0 1000.00 -999 ? >ASP~A 32 65.84 0.99 -6.35 67.38 -0.30 -7.06 66.61 0.35 -6.71 2 0 1000.00 -999 ? >PHE~A 33 63.08 4.87 -4.72 65.00 5.10 -2.68 64.04 4.99 -3.70 3 0 1000.00 -999 ? >GLU^A 34 55.71 3.46 -7.91 56.04 3.69 -9.99 55.88 3.57 -8.95 2 0 1000.00 -999 ? >LEU^A 35 59.78 8.52 -7.16 60.88 10.19 -6.37 60.33 9.35 -6.77 3 0 1000.00 -999 ? >THR^A 36 55.76 10.30 -5.98 53.79 9.80 -5.17 54.78 10.05 -5.58 2 0 1000.00 -999 ? >LYS^A 37 56.51 14.05 -5.94 61.11 16.93 -8.16 58.81 15.49 -7.05 2 0 1000.00 -999 ? >ASP^A 38 53.08 15.50 -3.58 51.14 16.37 -3.82 52.11 15.93 -3.70 2 0 1000.00 -999 ? >THR~A 39 54.13 19.00 -1.29 52.65 20.48 -1.85 53.39 19.74 -1.57 2 0 1000.00 -999 ? >PRO~A 40 55.69 20.20 2.50 54.98 18.26 1.65 55.33 19.23 2.07 3 0 1000.00 -999 ? >GLU~A 41 50.75 19.83 1.74 49.04 20.68 0.87 49.89 20.26 1.30 2 0 1000.00 -999 ? >LYS~A 42 50.19 15.69 0.99 45.79 18.24 -1.38 47.99 16.97 -0.20 2 0 1000.00 -999 ? >LEU~A 43 54.64 13.76 0.94 55.61 13.81 -1.00 55.13 13.78 -0.03 3 0 1000.00 -999 ? >SER~A 44 52.67 13.18 4.90 52.48 14.02 7.17 52.58 13.60 6.04 2 0 1000.00 -999 ? >GLU~A 45 47.74 14.40 4.79 46.36 15.72 3.85 47.05 15.06 4.32 2 0 1000.00 -999 ? >GLN~A 46 49.40 10.72 -0.38 50.39 11.31 -2.17 49.90 11.01 -1.28 2 0 1000.00 -999 ? >LEU~A 47 53.59 8.50 4.54 55.39 7.41 5.00 54.49 7.95 4.77 3 0 1000.00 -999 ? >VAL~A 48 50.05 7.84 7.09 49.48 9.28 8.63 49.77 8.56 7.86 3 0 1000.00 -999 ? >ARG~A 49 45.63 8.69 2.46 45.47 11.39 1.02 45.55 10.04 1.74 2 0 1000.00 -999 ? >GLY.A 50 49.26 3.74 3.40 49.11 4.38 3.01 49.19 4.06 3.20 1 0 1000.00 -999 ? >ASP.A 51 48.72 6.48 -0.58 46.62 6.32 -0.45 47.67 6.40 -0.51 2 0 1000.00 -999 ? >LEU.A 52 53.79 6.81 0.55 54.00 8.40 -0.90 53.89 7.61 -0.18 3 0 1000.00 -999 ? >ASP.A 53 56.35 1.84 1.15 54.95 0.64 0.11 55.65 1.24 0.63 2 0 1000.00 -999 ? >ILE^A 54 59.94 4.72 2.38 61.14 4.05 2.71 60.54 4.39 2.54 3 0 1000.00 -999 ? >GLY^A 55 58.91 9.12 2.49 59.03 8.97 3.26 58.97 9.04 2.88 1 0 1000.00 -999 ? >PRO^A 56 58.98 13.44 1.90 59.31 12.01 3.59 59.15 12.73 2.74 3 0 1000.00 -999 ? >VAL^A 57 57.04 13.42 6.89 56.13 11.69 7.83 56.58 12.56 7.36 3 0 1000.00 -999 ? >THR^A 58 56.64 16.91 8.29 54.88 18.18 8.44 55.76 17.55 8.36 2 0 1000.00 -999 ? >LEU~A 59 58.64 17.62 12.66 59.82 16.95 14.34 59.23 17.29 13.50 3 0 1000.00 -999 ? >VAL~A 60 54.33 17.65 13.54 53.12 19.45 13.86 53.73 18.55 13.70 3 0 1000.00 -999 ? >GLU~A 61 51.42 16.07 9.59 49.53 16.13 10.53 50.47 16.10 10.06 2 0 1000.00 -999 ? >PHE~A 62 57.60 11.40 12.59 59.01 9.22 13.62 58.31 10.31 13.11 3 0 1000.00 -999 ? >LEU~A 63 55.22 14.23 16.76 57.23 14.92 17.21 56.22 14.57 16.99 3 0 1000.00 -999 ? >LYS~A 64 51.12 12.46 15.81 48.68 17.90 13.67 49.90 15.18 14.74 2 0 1000.00 -999 ? >ASN~A 65 51.52 8.96 12.75 49.52 9.41 12.22 50.52 9.18 12.48 2 0 1000.00 -999 ? >ALA.A 66 54.95 8.18 16.12 55.41 8.91 17.37 55.18 8.54 16.75 2 0 1000.00 -999 ? >ASP.A 67 52.10 4.65 17.87 52.13 5.41 19.84 52.11 5.03 18.86 2 0 1000.00 -999 ? >ASP.A 68 51.64 4.03 12.93 50.12 3.73 14.37 50.88 3.88 13.65 2 0 1000.00 -999 ? >LEU^A 69 56.05 6.71 11.56 54.71 7.56 10.09 55.38 7.14 10.83 3 0 1000.00 -999 ? >VAL^A 70 59.92 4.56 12.14 60.97 2.77 11.47 60.45 3.66 11.80 3 0 1000.00 -999 ? >ALA^A 71 62.26 7.44 11.30 62.40 8.68 12.18 62.33 8.06 11.74 2 0 1000.00 -999 ? >PHE^A 72 64.90 6.39 6.89 63.60 4.56 5.20 64.25 5.48 6.05 3 0 1000.00 -999 ? >PRO^A 73 69.21 5.82 11.34 68.05 7.68 10.90 68.63 6.75 11.12 3 0 1000.00 -999 ? >ASP^A 74 72.26 9.62 9.55 73.08 8.82 11.33 72.67 9.22 10.44 2 0 1000.00 -999 ? >ILE^A 75 68.75 11.51 5.93 68.04 11.18 4.72 68.39 11.35 5.33 3 0 1000.00 -999 ? >ALA^A 76 66.26 14.98 7.76 66.12 15.16 9.28 66.19 15.07 8.52 2 0 1000.00 -999 ? >VAL^A 77 65.32 18.48 6.62 64.09 18.96 4.87 64.70 18.72 5.74 3 0 1000.00 -999 ? >GLY^A 78 66.45 20.99 9.20 66.90 21.12 8.53 66.68 21.06 8.86 1 0 1000.00 -999 ? >CYH^A 79 68.74 23.87 10.09 66.68 25.56 10.92 67.71 24.72 10.50 2 0 1000.00 -999 ? >ASP.A 80 72.22 24.72 12.95 73.10 24.97 14.86 72.66 24.84 13.91 2 0 1000.00 -999 ? >GLY.A 81 70.12 29.14 12.56 69.61 28.51 12.11 69.87 28.82 12.34 1 0 1000.00 -999 ? >PRO.A 82 70.51 31.49 8.90 68.93 30.24 9.86 69.72 30.87 9.38 3 0 1000.00 -999 ? >VAL.A 83 66.55 27.93 6.98 65.04 26.62 7.85 65.79 27.28 7.41 3 0 1000.00 -999 ? >MET.A 84 65.80 30.63 4.40 69.63 30.65 2.63 67.72 30.64 3.51 2 0 1000.00 -999 ? >SER.A 85 62.66 28.81 3.14 63.40 26.51 2.71 63.03 27.66 2.92 2 0 1000.00 -999 ? >CYH^A 86 60.53 28.78 6.30 60.93 26.03 6.62 60.73 27.40 6.46 2 0 1000.00 -999 ? >VAL^A 87 59.52 32.36 7.02 60.36 33.16 5.18 59.94 32.76 6.10 3 0 1000.00 -999 ? >ILE^A 88 56.98 35.23 9.73 56.29 35.19 11.02 56.63 35.21 10.37 3 0 1000.00 -999 ? >VAL^A 89 56.42 37.83 5.81 56.53 37.77 3.62 56.47 37.80 4.72 3 0 1000.00 -999 ? >SER^A 90 54.89 40.81 7.60 54.11 41.39 9.82 54.50 41.10 8.71 2 0 1000.00 -999 ? >GLN.A 91 51.47 44.34 6.50 49.92 44.90 5.15 50.69 44.62 5.82 2 0 1000.00 -999 ? >VAL.A 92 53.86 45.29 10.73 51.72 44.93 11.02 52.79 45.11 10.87 3 0 1000.00 -999 ? >PRO.A 93 56.47 46.66 13.94 55.67 44.73 13.22 56.07 45.70 13.58 3 0 1000.00 -999 ? >LEU.A 94 56.38 39.73 15.13 57.20 38.80 13.35 56.79 39.27 14.24 3 0 1000.00 -999 ? >ASP.A 95 55.16 43.41 19.13 56.07 44.85 17.87 55.62 44.13 18.50 2 0 1000.00 -999 ? >LEU.A 97 50.22 40.15 14.88 51.19 40.23 12.96 50.70 40.19 13.92 3 0 1000.00 -999 ? >ASP.A 98 47.36 40.81 20.10 46.33 39.71 21.58 46.84 40.26 20.84 2 0 1000.00 -999 ? >GLY.A 99 44.13 40.53 16.82 44.80 40.63 16.32 44.47 40.58 16.57 1 0 1000.00 -999 ? >ALA.A 100 45.44 40.73 13.28 46.77 41.38 12.91 46.10 41.06 13.09 2 0 1000.00 -999 ? >ARG^A 101 42.43 39.03 7.76 40.53 37.03 6.40 41.48 38.03 7.08 2 0 1000.00 -999 ? >VAL^A 102 47.62 35.88 9.83 49.38 35.85 11.11 48.50 35.86 10.47 3 0 1000.00 -999 ? >ALA^A 103 47.54 33.54 6.82 47.44 34.04 5.41 47.49 33.79 6.12 2 0 1000.00 -999 ? >LEU^A 104 48.69 29.25 8.33 48.91 29.85 10.39 48.80 29.55 9.36 3 0 1000.00 -999 ? >GLY^A 105 50.30 28.41 3.92 50.04 28.09 4.66 50.17 28.25 4.29 1 0 1000.00 -999 ? >SER.A 106 48.34 25.15 3.63 47.53 25.17 1.36 47.94 25.16 2.49 2 0 1000.00 -999 ? >THR.A 107 51.42 23.17 2.49 52.38 24.24 0.87 51.90 23.71 1.68 2 0 1000.00 -999 ? >SER.A 108 52.96 23.52 5.97 54.12 24.76 7.73 53.54 24.14 6.85 2 0 1000.00 -999 ? >ARG~A 109 49.46 20.00 8.70 47.93 20.54 6.09 48.70 20.27 7.39 2 0 1000.00 -999 ? >THR~A 110 55.43 22.03 11.25 57.06 20.67 11.61 56.25 21.35 11.43 2 0 1000.00 -999 ? >SER~A 111 56.52 25.54 10.31 58.29 25.48 8.67 57.40 25.51 9.49 2 0 1000.00 -999 ? >VAL~A 112 53.04 26.98 10.87 51.58 26.05 9.50 52.31 26.52 10.18 3 0 1000.00 -999 ? >ARG~A 113 51.36 23.82 16.61 51.69 25.21 19.34 51.52 24.52 17.97 2 0 1000.00 -999 ? >LEU~A 114 57.72 26.33 14.44 59.74 26.65 15.17 58.73 26.49 14.81 3 0 1000.00 -999 ? >ALA~A 115 55.50 30.15 13.79 54.93 30.40 12.41 55.21 30.28 13.10 2 0 1000.00 -999 ? >GLN~A 116 50.63 29.14 14.94 49.04 27.73 14.98 49.83 28.43 14.96 2 0 1000.00 -999 ? >LEU~A 117 55.55 27.75 19.14 56.34 26.74 20.87 55.95 27.25 20.00 3 0 1000.00 -999 ? >LEU~A 118 58.03 32.06 17.38 59.87 30.94 17.24 58.95 31.50 17.31 3 0 1000.00 -999 ? >LEU~A 119 53.45 34.74 16.75 53.69 35.50 14.74 53.57 35.12 15.75 3 0 1000.00 -999 ? >SER~A 120 52.74 33.97 21.14 52.37 31.59 21.13 52.56 32.78 21.14 2 0 1000.00 -999 ? >GLU~A 121 55.54 30.78 23.78 54.75 31.09 25.70 55.15 30.94 24.74 2 0 1000.00 -999 ? >ARG~A 122 61.38 34.25 20.03 62.86 36.58 21.36 62.12 35.41 20.69 2 0 1000.00 -999 ? >PHE.A 123 57.09 38.58 18.58 59.49 38.45 17.15 58.29 38.51 17.86 3 0 1000.00 -999 ? >GLY.A 124 53.15 37.67 23.22 53.18 37.87 22.42 53.16 37.77 22.82 1 0 1000.00 -999 ? >VAL.A 125 50.47 37.58 20.54 50.73 38.85 18.80 50.60 38.22 19.67 3 0 1000.00 -999 ? >PRO.A 127 49.01 35.66 16.16 46.91 35.89 16.91 47.96 35.77 16.53 3 0 1000.00 -999 ? >ASP^A 128 42.47 36.48 13.99 40.87 35.87 12.79 41.67 36.18 13.39 2 0 1000.00 -999 ? >TYR^A 129 46.73 31.68 13.40 49.09 32.44 14.72 47.91 32.06 14.06 3 0 1000.00 -999 ? >TYR^A 130 43.14 33.02 7.15 44.27 34.70 5.21 43.71 33.86 6.18 3 0 1000.00 -999 ? >THR^A 131 44.75 28.60 6.37 45.54 26.71 7.02 45.14 27.66 6.69 2 0 1000.00 -999 ? >CYH^A 132 45.01 29.18 2.63 46.27 31.66 2.53 45.64 30.42 2.58 2 0 1000.00 -999 ? >PRO.A 133 44.96 27.86 -1.49 46.53 28.38 0.01 45.74 28.12 -0.74 3 0 1000.00 -999 ? >PRO.A 134 51.38 27.62 -1.05 49.99 29.26 -0.51 50.69 28.44 -0.78 3 0 1000.00 -999 ? >ASP.A 135 49.24 33.04 -3.15 49.11 34.34 -4.80 49.18 33.69 -3.98 2 0 1000.00 -999 ? >LEU.A 136 53.67 35.93 -0.91 54.88 37.57 -0.13 54.28 36.75 -0.52 3 0 1000.00 -999 ? >SER.A 137 50.09 38.43 -3.09 50.06 38.96 -5.44 50.08 38.69 -4.27 2 0 1000.00 -999 ? >LEU.A 138 46.05 35.81 -2.90 44.92 35.46 -4.70 45.49 35.64 -3.80 3 0 1000.00 -999 ? >MET.A 139 48.34 35.75 0.81 49.19 35.72 3.55 48.77 35.73 2.18 2 0 1000.00 -999 ? >ALA.A 145 50.99 38.66 7.86 52.04 39.78 8.26 51.51 39.22 8.06 2 0 1000.00 -999 ? >ALA.A 146 51.70 34.98 6.65 51.43 35.09 5.14 51.57 35.03 5.90 2 0 1000.00 -999 ? >VAL^A 147 53.83 31.85 7.19 53.95 30.85 9.15 53.89 31.35 8.17 3 0 1000.00 -999 ? >LEU^A 148 55.69 31.38 2.91 54.33 32.37 1.56 55.01 31.88 2.23 3 0 1000.00 -999 ? >ILE^A 149 57.22 26.02 4.09 56.32 25.07 4.66 56.77 25.54 4.37 3 0 1000.00 -999 ? >GLY~A 150 59.28 25.84 0.36 59.29 26.59 0.58 59.29 26.21 0.47 1 0 1000.00 -999 ? >ASP~A 151 59.50 27.24 -4.25 60.61 25.48 -4.69 60.05 26.36 -4.47 2 0 1000.00 -999 ? >ALA~A 152 57.15 30.38 -2.00 55.74 30.07 -1.51 56.44 30.22 -1.75 2 0 1000.00 -999 ? >ALA~A 153 59.06 31.22 1.18 59.24 30.24 2.33 59.15 30.73 1.75 2 0 1000.00 -999 ? >LEU~A 154 63.07 30.14 -1.36 65.22 29.90 -1.47 64.15 30.02 -1.42 3 0 1000.00 -999 ? >ARG~A 155 58.55 33.92 -6.30 59.03 36.04 -8.48 58.79 34.98 -7.39 2 0 1000.00 -999 ? >ALA~A 156 59.50 35.89 -0.53 58.48 35.46 0.51 58.99 35.67 -0.01 2 0 1000.00 -999 ? >ASN~A 157 63.57 34.78 1.80 64.73 35.24 3.53 64.15 35.01 2.67 2 0 1000.00 -999 ? >MET~A 158 65.17 36.58 -1.85 67.83 34.90 -0.67 66.50 35.74 -1.26 2 0 1000.00 -999 ? >ILE~A 159 62.42 37.60 -5.41 62.67 37.11 -6.74 62.54 37.36 -6.08 3 0 1000.00 -999 ? >ASP~A 160 58.10 38.66 -2.94 57.74 37.35 -4.54 57.92 38.01 -3.74 2 0 1000.00 -999 ? >GLY~A 161 60.30 40.74 0.27 60.58 40.98 -0.48 60.44 40.86 -0.11 1 0 1000.00 -999 ? >PRO~A 162 64.47 41.12 -0.62 62.71 42.45 -0.77 63.59 41.79 -0.70 3 0 1000.00 -999 ? >ARG~A 163 59.16 43.20 -7.15 58.86 40.48 -8.54 59.01 41.84 -7.84 2 0 1000.00 -999 ? >TYR~A 164 56.46 44.45 -3.58 55.91 43.82 -6.25 56.19 44.13 -4.91 3 0 1000.00 -999 ? >GLY.A 165 60.02 46.41 1.15 59.47 45.88 1.05 59.75 46.15 1.10 1 0 1000.00 -999 ? >LEU.A 166 57.34 42.71 2.65 55.49 42.96 1.58 56.41 42.84 2.12 3 0 1000.00 -999 ? >ASP^A 167 59.68 42.64 7.76 60.34 44.62 8.19 60.01 43.63 7.98 2 0 1000.00 -999 ? >VAL^A 168 60.88 38.57 6.05 61.11 37.68 4.08 60.99 38.13 5.06 3 0 1000.00 -999 ? >HIS^A 169 60.60 38.41 10.95 60.47 40.44 11.49 60.53 39.42 11.22 3 0 1000.00 -999 ? >ASP^A 170 65.04 33.40 8.84 65.67 31.49 8.21 65.35 32.44 8.52 2 0 1000.00 -999 ? >LEU~A 171 60.64 29.99 10.92 58.51 30.45 10.92 59.58 30.22 10.92 3 0 1000.00 -999 ? >GLY~A 172 64.95 28.85 11.81 64.83 29.69 11.95 64.89 29.27 11.88 1 0 1000.00 -999 ? >ALA~A 173 66.67 32.02 12.97 66.86 33.24 12.10 66.76 32.63 12.53 2 0 1000.00 -999 ? >LEU~A 174 62.44 33.39 15.02 61.85 35.35 14.33 62.15 34.37 14.67 3 0 1000.00 -999 ? >TRP~A 175 64.98 26.26 16.91 62.22 25.21 19.51 63.60 25.73 18.21 3 0 1000.00 -999 ? >LYS~A 176 67.74 29.64 17.30 72.79 28.37 16.18 70.26 29.01 16.74 2 0 1000.00 -999 ? >GLU~A 177 67.92 34.86 16.97 66.82 36.33 15.91 67.37 35.60 16.44 2 0 1000.00 -999 ? >TRP~A 178 62.58 32.75 23.03 59.82 29.94 22.95 61.20 31.35 22.99 3 0 1000.00 -999 ? >THR~A 179 66.57 28.64 22.26 65.97 26.69 21.57 66.27 27.66 21.92 2 0 1000.00 -999 ? >GLY~A 180 70.07 28.40 20.81 69.41 27.90 20.62 69.74 28.15 20.72 1 0 1000.00 -999 ? >LEU.A 181 67.73 24.29 20.02 67.78 23.03 21.76 67.75 23.66 20.89 3 0 1000.00 -999 ? >PRO.A 182 69.74 21.85 16.52 68.92 23.93 16.46 69.33 22.89 16.49 3 0 1000.00 -999 ? >PHE^A 183 63.18 23.67 14.13 60.47 23.04 14.55 61.82 23.35 14.34 3 0 1000.00 -999 ? >VAL^A 184 64.07 19.83 12.22 64.82 17.80 12.49 64.45 18.82 12.36 3 0 1000.00 -999 ? >PHE^A 185 61.57 22.83 9.28 62.38 25.36 10.16 61.97 24.10 9.72 3 0 1000.00 -999 ? >ALA^A 186 60.76 16.99 8.46 60.41 17.17 6.98 60.59 17.08 7.72 2 0 1000.00 -999 ? >VAL^A 187 62.20 13.49 8.81 61.58 13.12 10.87 61.89 13.30 9.84 3 0 1000.00 -999 ? >TRP^A 188 62.91 10.40 3.17 64.50 13.99 3.43 63.70 12.20 3.30 3 0 1000.00 -999 ? >ALA^A 189 60.10 7.45 7.68 59.14 7.96 8.75 59.62 7.70 8.22 2 0 1000.00 -999 ? >ALA^A 190 58.81 4.04 6.76 59.75 2.84 6.75 59.28 3.44 6.76 2 0 1000.00 -999 ? >ARG^A 191 52.61 3.20 5.07 50.11 2.65 6.79 51.36 2.93 5.93 2 0 1000.00 -999 ? >ARG~A 192 55.64 -0.21 14.49 56.33 1.87 16.65 55.99 0.83 15.57 2 0 1000.00 -999 ? >ASP~A 193 52.51 -2.24 8.56 51.92 -0.69 7.24 52.21 -1.47 7.90 2 0 1000.00 -999 ? >TYR~A 194 57.02 -0.92 3.61 58.47 -1.54 1.30 57.74 -1.23 2.46 3 0 1000.00 -999 ? >ALA~A 195 59.44 -1.81 7.82 59.80 -0.84 8.93 59.62 -1.32 8.37 2 0 1000.00 -999 ? >GLU~A 196 57.58 -4.06 11.71 56.31 -4.29 13.38 56.94 -4.18 12.54 2 0 1000.00 -999 ? >ARG~A 197 53.42 -5.93 5.29 53.46 -3.90 2.98 53.44 -4.91 4.14 2 0 1000.00 -999 ? >GLU~A 198 58.58 -5.13 2.39 58.92 -6.89 1.28 58.75 -6.01 1.84 2 0 1000.00 -999 ? >PRO~A 199 62.16 -6.94 7.89 62.60 -5.40 6.34 62.38 -6.17 7.12 3 0 1000.00 -999 ? >VAL~A 200 65.82 -5.58 3.94 66.73 -7.39 3.14 66.28 -6.49 3.54 3 0 1000.00 -999 ? >ILE~A 201 62.94 -3.41 0.64 62.11 -3.48 -0.53 62.53 -3.45 0.05 3 0 1000.00 -999 ? >THR~A 202 63.66 -0.56 3.95 62.14 -0.23 5.45 62.90 -0.39 4.70 2 0 1000.00 -999 ? >ARG~A 203 68.36 -3.03 7.97 68.52 -5.88 6.83 68.44 -4.45 7.40 2 0 1000.00 -999 ? >LYS~A 204 68.48 -0.59 1.50 65.99 -2.98 -3.12 67.23 -1.79 -0.81 2 0 1000.00 -999 ? >VAL~A 205 66.26 2.43 0.85 64.17 2.78 0.43 65.21 2.60 0.64 3 0 1000.00 -999 ? >HIS~A 206 68.41 4.31 6.39 69.50 5.28 7.89 68.96 4.79 7.14 3 0 1000.00 -999 ? >GLU~A 207 71.78 1.43 4.20 72.59 -0.52 4.23 72.19 0.46 4.21 2 0 1000.00 -999 ? >ALA~A 208 70.42 4.72 -0.66 69.33 4.13 -1.55 69.88 4.42 -1.11 2 0 1000.00 -999 ? >PHE~A 209 66.54 8.44 1.01 64.06 8.93 -0.23 65.30 8.69 0.39 3 0 1000.00 -999 ? >LEU~A 210 72.74 7.69 3.97 71.89 7.64 5.97 72.31 7.67 4.97 3 0 1000.00 -999 ? >ALA~A 211 74.35 7.80 -0.19 74.36 6.46 -0.95 74.36 7.13 -0.57 2 0 1000.00 -999 ? >SER~A 212 72.31 10.13 -2.40 70.68 8.68 -3.47 71.50 9.40 -2.93 2 0 1000.00 -999 ? >ARG~A 213 73.15 14.33 3.12 72.99 12.69 5.70 73.07 13.51 4.41 2 0 1000.00 -999 ? >ASN~A 214 76.93 11.33 1.01 76.54 10.66 2.97 76.73 11.00 1.99 2 0 1000.00 -999 ? >LEU~A 215 76.21 12.03 -4.19 77.18 11.84 -6.11 76.70 11.94 -5.15 3 0 1000.00 -999 ? >SER~A 216 74.35 16.04 -3.16 72.75 16.27 -1.27 73.55 16.16 -2.22 2 0 1000.00 -999 ? >LEU~A 217 76.99 16.89 0.87 75.83 17.02 2.70 76.41 16.95 1.78 3 0 1000.00 -999 ? >GLU~A 218 79.59 14.44 -3.00 80.70 12.62 -3.19 80.15 13.53 -3.09 2 0 1000.00 -999 ? >GLU~A 219 78.45 15.85 -7.02 78.06 14.70 -8.78 78.26 15.27 -7.90 2 0 1000.00 -999 ? >VAL~A 220 76.15 21.09 -4.48 76.40 22.62 -2.93 76.28 21.85 -3.71 3 0 1000.00 -999 ? >GLU~A 221 79.88 24.31 -6.08 80.79 22.72 -5.00 80.33 23.51 -5.54 2 0 1000.00 -999 ? >LYS~A 222 76.47 21.38 -10.03 80.39 16.47 -11.10 78.43 18.93 -10.57 2 0 1000.00 -999 ? >VAL~A 223 72.93 21.27 -8.67 71.94 20.02 -7.17 72.43 20.65 -7.92 3 0 1000.00 -999 ? >ALA~A 224 72.84 25.05 -8.17 73.80 25.84 -7.29 73.32 25.45 -7.73 2 0 1000.00 -999 ? >GLU~A 225 75.73 25.43 -13.69 77.75 25.12 -14.23 76.74 25.27 -13.96 2 0 1000.00 -999 ? >GLN~A 226 70.67 21.02 -13.97 70.57 18.92 -13.64 70.62 19.97 -13.80 2 0 1000.00 -999 ? >ALA~A 227 68.63 24.49 -11.32 68.40 24.32 -9.82 68.51 24.41 -10.57 2 0 1000.00 -999 ? >ALA~A 228 69.62 28.11 -11.97 71.03 28.69 -11.92 70.32 28.40 -11.94 2 0 1000.00 -999 ? >ARG~A 229 71.13 25.31 -17.84 72.59 22.87 -16.70 71.86 24.09 -17.27 2 0 1000.00 -999 ? >TRP.A 230 66.37 23.71 -15.38 65.49 24.32 -19.17 65.93 24.02 -17.28 3 0 1000.00 -999 ? >GLU.A 231 64.93 26.83 -9.81 62.92 26.18 -9.72 63.92 26.50 -9.76 2 0 1000.00 -999 ? >ALA.A 232 63.99 32.51 -10.80 62.72 33.11 -10.22 63.36 32.81 -10.51 2 0 1000.00 -999 ? >PHE.A 233 65.57 31.40 -6.37 63.14 31.40 -4.97 64.35 31.40 -5.67 3 0 1000.00 -999 ? >ASP~A 234 71.20 34.24 -9.50 71.38 34.97 -7.55 71.29 34.60 -8.53 2 0 1000.00 -999 ? >GLU~A 235 75.06 28.86 -9.98 76.54 28.58 -11.44 75.80 28.72 -10.71 2 0 1000.00 -999 ? >ASP~A 236 75.39 33.36 -6.01 76.99 33.65 -7.34 76.19 33.50 -6.67 2 0 1000.00 -999 ? >THR~A 237 71.52 32.16 -4.24 69.87 33.55 -4.27 70.69 32.85 -4.25 2 0 1000.00 -999 ? >LEU~A 238 70.42 27.89 -6.29 68.51 27.77 -7.32 69.46 27.83 -6.80 3 0 1000.00 -999 ? >ALA~A 239 74.20 27.40 -3.96 75.48 27.88 -4.60 74.84 27.64 -4.28 2 0 1000.00 -999 ? >LYS~A 240 73.88 29.43 -0.73 72.89 34.76 2.51 73.39 32.10 0.89 2 0 1000.00 -999 ? >TYR~A 241 68.06 27.33 -0.55 65.77 25.98 0.30 66.91 26.65 -0.12 3 0 1000.00 -999 ? >PHE~A 242 71.00 23.80 -3.05 69.13 23.73 -5.14 70.06 23.76 -4.10 3 0 1000.00 -999 ? >THR~A 243 74.50 24.78 1.70 75.99 25.92 0.62 75.25 25.35 1.16 2 0 1000.00 -999 ? >THR~A 244 72.43 26.54 4.38 71.68 28.58 4.56 72.06 27.56 4.47 2 0 1000.00 -999 ? >LEU~A 245 69.22 23.00 3.52 67.42 23.72 2.53 68.32 23.36 3.03 3 0 1000.00 -999 ? >ASP.A 246 71.22 21.58 8.67 72.55 20.46 9.86 71.88 21.02 9.27 2 0 1000.00 -999 ? >PHE.A 247 69.22 17.30 4.09 67.19 18.13 2.35 68.21 17.72 3.22 3 0 1000.00 -999 ? >ARG.A 248 75.23 17.43 10.41 75.92 19.95 12.02 75.58 18.69 11.21 2 0 1000.00 -999 ? >PHE.A 249 67.39 12.89 12.10 65.18 12.49 13.77 66.29 12.69 12.94 3 0 1000.00 -999 ? >GLY~A 250 71.82 12.67 14.91 71.26 13.31 15.05 71.54 12.99 14.98 1 0 1000.00 -999 ? >ALA~A 251 71.80 13.44 18.64 72.93 13.07 19.61 72.37 13.25 19.12 2 0 1000.00 -999 ? >PRO~A 252 74.34 16.86 17.61 72.23 16.50 18.19 73.28 16.68 17.90 3 0 1000.00 -999 ? >GLN~A 253 69.96 17.50 13.50 72.03 17.29 13.94 71.00 17.40 13.72 2 0 1000.00 -999 ? >LEU~A 254 67.61 13.34 18.30 66.43 11.59 17.85 67.02 12.47 18.07 3 0 1000.00 -999 ? >GLU~A 255 68.80 18.52 22.63 70.57 19.57 23.10 69.69 19.05 22.87 2 0 1000.00 -999 ? >ALA~A 256 65.79 20.00 18.92 66.22 20.57 17.57 66.00 20.29 18.24 2 0 1000.00 -999 ? >VAL~A 257 62.88 17.61 18.25 62.60 15.96 16.84 62.74 16.79 17.55 3 0 1000.00 -999 ? >THR~A 258 62.49 16.43 21.85 63.59 15.04 23.09 63.04 15.74 22.47 2 0 1000.00 -999 ? >GLU~A 259 63.38 22.36 23.57 62.96 22.01 25.63 63.17 22.19 24.60 2 0 1000.00 -999 ? >PHE~A 260 58.97 21.59 17.98 56.89 22.67 16.41 57.93 22.13 17.19 3 0 1000.00 -999 ? >ALA~A 261 57.72 18.13 21.09 58.19 16.68 20.97 57.95 17.41 21.03 2 0 1000.00 -999 ? >ARG~A 262 58.20 20.24 27.80 60.57 22.17 27.45 59.38 21.21 27.62 2 0 1000.00 -999 ? >ARG~A 263 59.94 24.39 23.06 61.52 26.49 24.62 60.73 25.44 23.84 2 0 1000.00 -999 ? >VAL~A 264 53.83 21.91 21.61 54.85 22.22 19.71 54.34 22.07 20.66 3 0 1000.00 -999 ? >GLY~A 265 52.93 18.30 22.34 52.57 18.94 22.57 52.75 18.62 22.46 1 0 1000.00 -999 ? >PRO.A 266 51.29 20.74 25.59 50.64 18.98 24.39 50.96 19.86 24.99 3 0 1000.00 -999 ? >THR.A 267 48.22 21.43 22.37 48.87 23.36 23.08 48.55 22.40 22.73 2 0 1000.00 -999 ? >THR.A 268 49.06 19.56 19.17 50.77 20.35 18.11 49.91 19.95 18.64 2 0 1000.00 -999 ? >GLY.A 269 48.05 15.91 19.50 48.73 16.00 19.82 48.39 15.95 19.66 1 0 1000.00 -999 ? >PHE.A 270 52.56 14.94 19.45 53.76 17.28 18.51 53.16 16.11 18.98 3 0 1000.00 -999 ? >PRO.A 271 51.91 11.15 24.25 52.22 13.31 23.83 52.07 12.23 24.04 3 0 1000.00 -999 ? >ALA.A 272 55.04 16.10 25.45 54.96 16.97 26.70 55.00 16.54 26.07 2 0 1000.00 -999 ? >ASP.A 273 57.59 12.58 27.21 55.88 11.54 27.91 56.74 12.06 27.56 2 0 1000.00 -999 ? >VAL.A 274 56.40 11.28 22.62 56.13 11.99 20.58 56.27 11.63 21.60 3 0 1000.00 -999 ? >LYS.A 275 58.87 8.56 21.62 62.93 6.51 20.96 60.90 7.54 21.29 2 0 1000.00 -999 ? >VAL.A 276 60.68 8.85 18.28 61.47 10.66 17.34 61.07 9.76 17.81 3 0 1000.00 -999 ? >GLU.A 277 60.95 2.84 16.58 59.52 1.28 16.67 60.23 2.06 16.62 2 0 1000.00 -999 ? >LEU.A 278 65.76 5.57 15.28 66.27 7.62 15.69 66.01 6.60 15.48 3 0 1000.00 -999 ? >LEU.A 279 65.35 2.71 10.65 65.77 1.20 9.16 65.56 1.96 9.90 3 0 1000.00 -999 ? >LYS.A 280 67.59 -0.03 13.75 65.73 0.75 18.52 66.66 0.36 16.14 2 0 1000.00 -999 ? >PRO.A 281 71.88 -0.64 13.87 70.24 -1.06 12.42 71.06 -0.85 13.15 3 0 1000.00 -999 ? >THR.B 5 36.30 24.56 -37.04 38.40 24.49 -36.48 37.35 24.53 -36.76 2 0 1000.00 -999 ? >ARG.B 6 30.99 21.18 -35.80 30.73 20.35 -38.75 30.86 20.76 -37.27 2 0 1000.00 -999 ? >PRO.B 7 31.71 26.24 -31.20 33.64 25.28 -31.78 32.68 25.76 -31.49 3 0 1000.00 -999 ? >ARG^B 8 38.74 21.85 -29.47 41.16 23.21 -28.15 39.95 22.53 -28.81 2 0 1000.00 -999 ? >VAL^B 9 32.20 22.64 -26.12 30.33 23.70 -26.53 31.26 23.17 -26.32 3 0 1000.00 -999 ? >GLY^B 10 32.14 20.79 -22.81 31.48 21.23 -23.08 31.81 21.01 -22.95 1 0 1000.00 -999 ? >HIS^B 11 26.68 18.67 -21.95 24.67 18.80 -21.38 25.68 18.73 -21.66 3 0 1000.00 -999 ? >ILE^B 12 27.87 18.62 -16.57 28.01 19.19 -15.25 27.94 18.91 -15.91 3 0 1000.00 -999 ? >GLN.B 13 29.09 12.73 -16.87 30.60 11.24 -16.93 29.85 11.99 -16.90 2 0 1000.00 -999 ? >PHE~B 14 26.84 14.46 -13.18 29.26 13.69 -11.99 28.05 14.08 -12.58 3 0 1000.00 -999 ? >LEU~B 15 20.48 13.53 -14.20 19.66 11.53 -14.52 20.07 12.53 -14.36 3 0 1000.00 -999 ? >ASN~B 16 22.48 18.64 -13.02 24.56 18.46 -13.46 23.52 18.55 -13.24 2 0 1000.00 -999 ? >CYH~B 17 22.38 19.02 -17.64 24.46 20.75 -16.88 23.42 19.89 -17.26 2 0 1000.00 -999 ? >LEU~B 18 19.87 15.03 -18.91 19.45 13.28 -20.13 19.66 14.15 -19.52 3 0 1000.00 -999 ? >PRO~B 19 16.98 18.47 -17.71 17.99 18.33 -19.68 17.49 18.40 -18.69 3 0 1000.00 -999 ? >LEU~B 20 21.14 21.82 -20.81 22.12 23.64 -21.46 21.63 22.73 -21.13 3 0 1000.00 -999 ? >TYR~B 21 22.56 16.32 -24.34 23.87 14.97 -26.44 23.22 15.64 -25.39 3 0 1000.00 -999 ? >TRP~B 22 14.41 18.82 -24.54 12.66 15.69 -26.20 13.54 17.25 -25.37 3 0 1000.00 -999 ? >GLY~B 23 17.42 21.47 -25.70 18.02 20.94 -25.93 17.72 21.20 -25.81 1 0 1000.00 -999 ? >LEU~B 24 22.09 21.09 -27.01 23.44 22.37 -25.93 22.77 21.73 -26.47 3 0 1000.00 -999 ? >ALA~B 25 19.49 18.46 -29.61 19.22 17.08 -29.03 19.36 17.77 -29.32 2 0 1000.00 -999 ? >ARG~B 26 13.15 18.04 -29.14 11.26 20.01 -30.58 12.21 19.02 -29.86 2 0 1000.00 -999 ? >THR~B 27 17.24 23.05 -31.51 18.03 24.15 -29.82 17.63 23.60 -30.66 2 0 1000.00 -999 ? >GLY~B 28 19.82 21.45 -33.76 20.02 21.87 -33.06 19.92 21.66 -33.41 1 0 1000.00 -999 ? >THR~B 29 22.49 23.35 -31.83 22.46 24.82 -30.25 22.47 24.08 -31.04 2 0 1000.00 -999 ? >LEU~B 30 24.02 18.80 -30.92 23.82 17.92 -28.96 23.92 18.36 -29.94 3 0 1000.00 -999 ? >LEU~B 31 24.54 20.12 -36.11 22.98 18.63 -36.34 23.76 19.38 -36.22 3 0 1000.00 -999 ? >ASP~B 32 26.65 24.85 -34.29 25.35 25.38 -35.88 26.00 25.12 -35.08 2 0 1000.00 -999 ? >PHE~B 33 27.97 22.97 -29.61 26.68 25.15 -28.39 27.33 24.06 -29.00 3 0 1000.00 -999 ? >GLU^B 34 34.74 19.07 -31.22 34.65 17.15 -32.10 34.69 18.11 -31.66 2 0 1000.00 -999 ? >LEU^B 35 29.42 18.55 -27.51 28.01 18.27 -25.91 28.71 18.41 -26.71 3 0 1000.00 -999 ? >THR^B 36 32.74 16.65 -25.00 34.90 16.67 -24.68 33.82 16.66 -24.84 2 0 1000.00 -999 ? >LYS^B 37 30.89 14.99 -22.10 26.59 11.76 -24.71 28.74 13.37 -23.40 2 0 1000.00 -999 ? >ASP^B 38 34.06 14.95 -19.00 35.54 13.60 -18.31 34.80 14.28 -18.65 2 0 1000.00 -999 ? >THR~B 39 32.50 15.19 -15.03 33.44 13.51 -14.04 32.97 14.35 -14.53 2 0 1000.00 -999 ? >PRO~B 40 31.24 18.11 -12.13 32.49 18.15 -13.99 31.87 18.13 -13.06 3 0 1000.00 -999 ? >GLU~B 41 38.00 17.11 -11.47 37.97 14.99 -11.33 37.99 16.05 -11.40 2 0 1000.00 -999 ? >LYS~B 42 37.61 17.29 -15.63 40.81 12.96 -14.20 39.21 15.13 -14.91 2 0 1000.00 -999 ? >LEU~B 43 34.17 19.89 -17.91 32.85 18.73 -19.17 33.51 19.31 -18.54 3 0 1000.00 -999 ? >SER~B 44 37.06 22.67 -15.82 37.53 23.99 -13.85 37.29 23.33 -14.83 2 0 1000.00 -999 ? >GLU~B 45 40.83 19.79 -14.23 41.41 17.85 -13.59 41.12 18.82 -13.91 2 0 1000.00 -999 ? >GLN~B 46 39.45 18.52 -20.43 37.79 17.21 -20.70 38.62 17.87 -20.57 2 0 1000.00 -999 ? >LEU~B 47 37.49 25.04 -19.97 36.33 26.61 -20.89 36.91 25.82 -20.43 3 0 1000.00 -999 ? >VAL~B 48 41.43 26.08 -18.28 41.69 26.49 -16.14 41.56 26.28 -17.21 3 0 1000.00 -999 ? >ARG~B 49 44.75 20.43 -20.07 42.83 18.17 -19.29 43.79 19.30 -19.68 2 0 1000.00 -999 ? >GLY~B 50 42.85 24.95 -23.43 42.74 24.25 -23.17 42.80 24.60 -23.30 1 0 1000.00 -999 ? >ASP.B 51 41.79 20.25 -23.86 43.83 19.68 -23.92 42.81 19.97 -23.89 2 0 1000.00 -999 ? >LEU.B 52 37.15 22.81 -23.56 36.07 20.95 -23.36 36.61 21.88 -23.46 3 0 1000.00 -999 ? >ASP.B 53 36.64 26.80 -27.45 38.08 25.93 -28.75 37.36 26.37 -28.10 2 0 1000.00 -999 ? >ILE^B 54 32.56 27.47 -25.02 31.68 28.49 -25.52 32.12 27.98 -25.27 3 0 1000.00 -999 ? >GLY^B 55 32.03 24.95 -21.32 32.11 25.68 -21.02 32.07 25.31 -21.17 1 0 1000.00 -999 ? >PRO^B 56 30.33 22.35 -18.29 30.80 24.52 -18.50 30.57 23.43 -18.40 3 0 1000.00 -999 ? >VAL^B 57 33.01 25.63 -15.10 34.70 26.87 -15.71 33.86 26.25 -15.41 3 0 1000.00 -999 ? >THR^B 58 32.42 24.65 -11.49 33.60 23.44 -10.10 33.01 24.05 -10.79 2 0 1000.00 -999 ? >LEU~B 59 31.16 28.35 -8.59 30.68 30.44 -8.20 30.92 29.40 -8.40 3 0 1000.00 -999 ? >VAL~B 60 35.34 27.65 -7.36 35.95 26.66 -5.51 35.64 27.15 -6.43 3 0 1000.00 -999 ? >GLU~B 61 37.79 24.33 -10.49 39.74 24.49 -9.67 38.77 24.41 -10.08 2 0 1000.00 -999 ? >PHE~B 62 34.27 31.24 -13.41 33.95 33.63 -14.86 34.11 32.43 -14.14 3 0 1000.00 -999 ? >LEU~B 63 36.08 32.23 -8.13 34.11 33.09 -7.73 35.10 32.66 -7.93 3 0 1000.00 -999 ? >LYS~B 64 40.37 30.96 -9.26 41.44 25.72 -5.92 40.90 28.34 -7.59 2 0 1000.00 -999 ? >ASN~B 65 40.61 30.40 -13.87 41.85 28.80 -13.21 41.23 29.60 -13.54 2 0 1000.00 -999 ? >ALA.B 66 38.51 34.70 -13.25 37.97 35.48 -12.04 38.24 35.09 -12.65 2 0 1000.00 -999 ? >ASP.B 67 42.68 36.87 -14.62 42.87 37.83 -12.76 42.78 37.35 -13.69 2 0 1000.00 -999 ? >ASP.B 68 42.33 33.10 -17.92 44.15 33.80 -17.11 43.24 33.45 -17.51 2 0 1000.00 -999 ? >LEU^B 69 37.14 32.19 -17.46 37.88 30.15 -17.51 37.51 31.17 -17.48 3 0 1000.00 -999 ? >VAL^B 70 34.50 35.24 -19.54 34.63 36.68 -21.18 34.56 35.96 -20.36 3 0 1000.00 -999 ? >ALA^B 71 31.24 33.88 -18.12 30.82 34.05 -16.66 31.03 33.97 -17.39 2 0 1000.00 -999 ? >PHE^B 72 28.29 31.86 -21.87 29.79 31.04 -24.10 29.04 31.45 -22.99 3 0 1000.00 -999 ? >PRO^B 73 25.37 37.21 -20.51 25.68 35.51 -19.09 25.53 36.36 -19.80 3 0 1000.00 -999 ? >ASP^B 74 20.86 34.95 -18.99 20.51 36.99 -18.56 20.68 35.97 -18.77 2 0 1000.00 -999 ? >ILE^B 75 22.68 29.88 -19.01 23.26 28.88 -19.86 22.97 29.38 -19.43 3 0 1000.00 -999 ? >ALA^B 76 24.04 28.57 -14.82 24.33 29.59 -13.74 24.19 29.08 -14.28 2 0 1000.00 -999 ? >VAL^B 77 23.62 25.50 -12.67 24.35 23.52 -13.18 23.99 24.51 -12.93 3 0 1000.00 -999 ? >GLY^B 78 22.09 26.55 -9.40 21.54 26.12 -9.76 21.82 26.34 -9.58 1 0 1000.00 -999 ? >CYH^B 79 19.24 26.44 -6.91 20.77 25.58 -4.72 20.00 26.01 -5.81 2 0 1000.00 -999 ? >ASP.B 80 16.10 29.48 -5.18 15.77 31.22 -3.99 15.94 30.35 -4.59 2 0 1000.00 -999 ? >GLY.B 81 16.70 26.17 -1.62 17.29 25.97 -2.28 17.00 26.07 -1.95 1 0 1000.00 -999 ? >PRO.B 82 14.94 22.15 -2.21 16.96 23.09 -2.11 15.95 22.62 -2.16 3 0 1000.00 -999 ? >VAL.B 83 19.33 21.32 -5.28 21.47 21.33 -5.66 20.40 21.33 -5.47 3 0 1000.00 -999 ? >MET.B 84 18.74 17.62 -4.52 14.92 17.47 -6.18 16.83 17.54 -5.35 2 0 1000.00 -999 ? >SER.B 85 22.05 16.60 -6.16 22.13 17.79 -8.30 22.09 17.19 -7.23 2 0 1000.00 -999 ? >CYH^B 86 24.61 18.23 -3.85 25.28 20.06 -5.89 24.94 19.15 -4.87 2 0 1000.00 -999 ? >VAL^B 87 24.58 16.65 -0.41 23.25 15.06 -1.08 23.92 15.86 -0.74 3 0 1000.00 -999 ? >ILE^B 88 26.43 16.48 3.96 27.27 17.27 4.87 26.85 16.87 4.41 3 0 1000.00 -999 ? >VAL^B 89 25.66 11.85 3.62 25.06 10.31 2.21 25.36 11.08 2.92 3 0 1000.00 -999 ? >SER^B 90 26.43 10.85 7.22 27.35 11.68 9.29 26.89 11.26 8.25 2 0 1000.00 -999 ? >GLN.B 91 27.81 6.64 9.73 28.75 4.80 9.25 28.28 5.72 9.49 2 0 1000.00 -999 ? >VAL.B 92 25.91 10.31 12.57 28.01 9.79 12.94 26.96 10.05 12.76 3 0 1000.00 -999 ? >PRO.B 93 23.83 13.06 15.29 25.00 13.18 13.41 24.42 13.12 14.35 3 0 1000.00 -999 ? >LEU.B 94 26.61 17.66 10.78 25.00 17.87 9.35 25.80 17.76 10.06 3 0 1000.00 -999 ? >ASP.B 95 27.97 18.88 15.54 25.88 18.75 15.84 26.92 18.81 15.69 2 0 1000.00 -999 ? >ARG.B 101 39.59 9.02 8.44 40.49 8.22 5.62 40.04 8.62 7.03 2 0 1000.00 -999 ? >VAL^B 102 34.76 12.55 6.05 33.88 14.33 6.95 34.32 13.44 6.50 3 0 1000.00 -999 ? >ALA^B 103 35.17 11.68 2.36 34.82 10.30 1.82 34.99 10.99 2.09 2 0 1000.00 -999 ? >LEU^B 104 35.94 15.55 -0.21 35.91 16.95 1.45 35.92 16.25 0.62 3 0 1000.00 -999 ? >GLY^B 105 33.91 13.15 -3.83 34.40 13.80 -3.56 34.15 13.48 -3.69 1 0 1000.00 -999 ? >SER.B 106 36.68 14.02 -6.27 37.36 12.00 -7.46 37.02 13.01 -6.86 2 0 1000.00 -999 ? >THR.B 107 34.37 15.11 -9.09 32.85 13.61 -9.42 33.61 14.36 -9.26 2 0 1000.00 -999 ? >SER.B 108 33.45 18.16 -7.00 32.22 19.23 -5.16 32.84 18.69 -6.08 2 0 1000.00 -999 ? >ARG.B 109 38.10 20.88 -7.56 38.95 18.03 -8.37 38.53 19.45 -7.96 2 0 1000.00 -999 ? >THR~B 110 32.47 23.82 -5.39 31.46 25.35 -6.55 31.96 24.59 -5.97 2 0 1000.00 -999 ? >SER~B 111 30.06 21.73 -3.29 28.22 20.99 -4.71 29.14 21.36 -4.00 2 0 1000.00 -999 ? >VAL~B 112 32.97 20.35 -1.29 34.34 19.24 -2.60 33.66 19.79 -1.94 3 0 1000.00 -999 ? >ARG~B 113 36.31 25.85 0.32 35.80 27.29 3.01 36.05 26.57 1.66 2 0 1000.00 -999 ? >LEU~B 114 29.26 24.69 -0.46 27.36 25.63 -0.08 28.31 25.16 -0.27 3 0 1000.00 -999 ? >ALA~B 115 30.16 21.59 2.61 30.46 20.17 2.11 30.31 20.88 2.36 2 0 1000.00 -999 ? >GLN~B 116 35.22 21.41 3.27 37.20 21.57 2.47 36.21 21.49 2.87 2 0 1000.00 -999 ? >LEU~B 117 31.71 27.13 3.80 31.51 29.27 3.93 31.61 28.20 3.87 3 0 1000.00 -999 ? >LEU~B 118 27.75 24.10 5.75 26.14 24.82 4.49 26.95 24.46 5.12 3 0 1000.00 -999 ? >LEU~B 119 31.15 20.90 8.04 29.99 19.13 7.71 30.57 20.01 7.87 3 0 1000.00 -999 ? >SER~B 120 32.66 24.97 10.31 34.60 26.31 9.73 33.63 25.64 10.02 2 0 1000.00 -999 ? >GLU~B 121 31.83 29.43 8.69 33.39 29.97 10.03 32.61 29.70 9.36 2 0 1000.00 -999 ? >ARG~B 122 24.40 26.64 9.00 21.59 25.84 9.97 22.99 26.24 9.48 2 0 1000.00 -999 ? >PRO.B 127 39.55 21.89 9.01 38.88 19.96 9.91 39.21 20.93 9.46 3 0 1000.00 -999 ? >ASP.B 128 38.58 15.06 10.09 39.87 13.62 10.94 39.23 14.34 10.52 2 0 1000.00 -999 ? >TYR^B 129 37.65 17.72 5.02 35.60 19.27 6.14 36.62 18.49 5.58 3 0 1000.00 -999 ? >TYR^B 130 39.59 10.86 2.89 37.74 8.78 2.69 38.66 9.82 2.79 3 0 1000.00 -999 ? >THR^B 131 39.51 13.06 -1.23 39.57 14.80 -2.49 39.54 13.93 -1.86 2 0 1000.00 -999 ? >CYH^B 132 38.44 9.95 -3.14 36.65 8.86 -1.28 37.54 9.40 -2.21 2 0 1000.00 -999 ? >PRO.B 133 38.06 7.74 -6.83 36.72 8.87 -5.49 37.39 8.31 -6.16 3 0 1000.00 -999 ? >PRO.B 134 32.39 10.23 -7.30 33.12 9.21 -5.44 32.76 9.72 -6.37 3 0 1000.00 -999 ? >ASP.B 135 32.27 4.58 -4.33 31.57 2.66 -3.74 31.92 3.62 -4.03 2 0 1000.00 -999 ? >LEU.B 136 27.34 6.02 -1.18 26.50 6.90 0.62 26.92 6.46 -0.28 3 0 1000.00 -999 ? >SER.B 137 29.68 2.21 -0.40 30.13 -0.13 -0.91 29.91 1.04 -0.66 2 0 1000.00 -999 ? >LEU.B 138 34.34 3.25 -1.22 36.40 2.98 -1.70 35.37 3.11 -1.46 3 0 1000.00 -999 ? >MET.B 139 32.72 5.67 2.24 31.68 8.19 0.11 32.20 6.93 1.17 2 0 1000.00 -999 ? >GLU.B 142 37.35 2.65 3.90 39.30 2.59 3.08 38.32 2.62 3.49 2 0 1000.00 -999 ? >ALA.B 143 34.50 7.42 6.59 34.57 8.48 5.48 34.54 7.95 6.03 2 0 1000.00 -999 ? >ASP.B 144 32.03 9.60 10.14 32.96 8.50 11.71 32.49 9.05 10.93 2 0 1000.00 -999 ? >ALA^B 145 30.28 11.02 6.21 29.81 12.32 6.89 30.04 11.67 6.55 2 0 1000.00 -999 ? >ALA^B 146 30.77 12.14 2.63 30.88 10.89 1.77 30.83 11.51 2.20 2 0 1000.00 -999 ? >VAL^B 147 30.04 14.98 0.22 30.67 17.03 0.50 30.35 16.01 0.36 3 0 1000.00 -999 ? >LEU^B 148 27.81 12.56 -3.06 28.62 10.57 -2.77 28.22 11.56 -2.91 3 0 1000.00 -999 ? >ILE^B 149 28.22 16.76 -6.79 29.46 17.37 -7.02 28.84 17.07 -6.91 3 0 1000.00 -999 ? >GLY~B 150 25.69 14.68 -9.54 25.43 14.45 -8.82 25.56 14.57 -9.18 1 0 1000.00 -999 ? >ASP~B 151 24.07 10.48 -11.30 23.60 11.47 -13.12 23.84 10.97 -12.21 2 0 1000.00 -999 ? >ALA~B 152 25.60 9.71 -7.09 27.12 9.66 -6.86 26.36 9.68 -6.97 2 0 1000.00 -999 ? >ALA~B 153 24.29 12.47 -4.81 24.70 13.94 -4.91 24.50 13.20 -4.86 2 0 1000.00 -999 ? >LEU~B 154 20.36 12.50 -7.71 18.41 13.09 -8.44 19.39 12.79 -8.08 3 0 1000.00 -999 ? >ARG~B 155 22.63 5.16 -7.00 20.64 3.44 -8.58 21.63 4.30 -7.79 2 0 1000.00 -999 ? >ALA~B 156 22.12 8.69 -2.29 23.43 9.32 -1.81 22.77 9.01 -2.05 2 0 1000.00 -999 ? >ASN~B 157 19.44 12.69 -2.19 18.19 14.07 -1.18 18.81 13.38 -1.69 2 0 1000.00 -999 ? >MET~B 158 16.46 9.51 -3.34 14.94 12.22 -4.47 15.70 10.87 -3.91 2 0 1000.00 -999 ? >ILE~B 159 17.73 5.13 -4.30 17.38 4.49 -5.51 17.55 4.81 -4.90 3 0 1000.00 -999 ? >ASP~B 160 21.96 4.86 -1.56 22.27 4.01 -3.47 22.12 4.44 -2.51 2 0 1000.00 -999 ? >GLY~B 161 20.01 7.12 1.81 19.51 6.48 1.53 19.76 6.80 1.67 1 0 1000.00 -999 ? >PRO~B 162 15.78 7.62 1.26 17.07 6.19 2.36 16.43 6.90 1.81 3 0 1000.00 -999 ? >ARG~B 163 18.06 1.14 -1.83 20.58 -0.25 -2.87 19.32 0.44 -2.35 2 0 1000.00 -999 ? >TYR~B 164 21.77 1.44 3.17 22.51 -0.35 1.15 22.14 0.55 2.16 3 0 1000.00 -999 ? >GLY.B 165 20.09 4.44 7.77 20.70 4.53 7.20 20.40 4.48 7.49 1 0 1000.00 -999 ? >LEU.B 166 23.02 6.94 5.02 24.48 5.36 4.87 23.75 6.15 4.94 3 0 1000.00 -999 ? >ASP^B 167 21.29 11.68 8.03 20.86 10.65 9.82 21.08 11.17 8.93 2 0 1000.00 -999 ? >VAL^B 168 21.29 13.14 3.75 21.18 12.24 1.75 21.24 12.69 2.75 3 0 1000.00 -999 ? >HIS^B 169 22.39 16.96 6.40 21.94 16.21 8.31 22.16 16.59 7.36 3 0 1000.00 -999 ? >ASP^B 170 19.50 19.46 0.51 19.40 20.24 -1.45 19.45 19.85 -0.47 2 0 1000.00 -999 ? >LEU~B 171 25.05 21.46 -0.16 26.81 20.37 0.51 25.93 20.92 0.17 3 0 1000.00 -999 ? >GLY~B 172 21.50 24.02 -1.24 21.38 23.68 -0.49 21.44 23.85 -0.86 1 0 1000.00 -999 ? >ALA~B 173 18.93 23.93 1.58 18.09 22.70 1.96 18.51 23.32 1.77 2 0 1000.00 -999 ? >LEU~B 174 22.75 23.26 4.53 22.61 21.47 5.72 22.68 22.37 5.13 3 0 1000.00 -999 ? >TRP~B 175 23.16 29.27 -0.30 26.51 31.08 0.74 24.83 30.17 0.22 3 0 1000.00 -999 ? >LYS~B 176 19.54 28.68 2.08 15.81 31.79 -0.60 17.68 30.24 0.74 2 0 1000.00 -999 ? >GLU~B 177 17.74 25.82 6.05 18.10 23.97 7.01 17.92 24.89 6.53 2 0 1000.00 -999 ? >TRP~B 178 24.52 30.24 8.56 27.88 30.25 6.52 26.20 30.24 7.54 3 0 1000.00 -999 ? >THR~B 179 22.01 32.78 4.50 23.16 33.16 2.72 22.59 32.97 3.61 2 0 1000.00 -999 ? >GLY~B 180 18.56 32.96 2.91 19.26 32.90 2.52 18.91 32.93 2.72 1 0 1000.00 -999 ? >LEU.B 181 21.59 33.63 -0.61 22.30 35.64 -0.37 21.94 34.64 -0.49 3 0 1000.00 -999 ? >PRO.B 182 20.07 32.91 -4.82 20.10 31.40 -3.17 20.08 32.16 -4.00 3 0 1000.00 -999 ? >PHE^B 183 25.19 27.88 -3.73 27.96 27.73 -3.28 26.58 27.81 -3.51 3 0 1000.00 -999 ? >VAL^B 184 25.26 28.84 -8.11 25.40 30.42 -9.60 25.33 29.63 -8.85 3 0 1000.00 -999 ? >PHE^B 185 26.13 24.03 -7.05 24.89 23.63 -4.54 25.51 23.83 -5.79 3 0 1000.00 -999 ? >ALA^B 186 28.73 26.30 -11.97 28.87 24.92 -12.65 28.80 25.61 -12.31 2 0 1000.00 -999 ? >VAL^B 187 28.60 28.82 -14.81 29.69 30.46 -13.85 29.15 29.64 -14.33 3 0 1000.00 -999 ? >TRP^B 188 28.07 26.17 -20.63 25.31 25.19 -18.00 26.69 25.68 -19.31 3 0 1000.00 -999 ? >ALA^B 189 32.43 30.34 -19.78 33.38 30.52 -18.61 32.91 30.43 -19.19 2 0 1000.00 -999 ? >ALA^B 190 34.65 30.82 -22.77 34.15 31.68 -23.92 34.40 31.25 -23.35 2 0 1000.00 -999 ? >ARG^B 191 40.59 28.03 -23.58 43.32 28.77 -22.35 41.95 28.40 -22.97 2 0 1000.00 -999 ? >ARG~B 192 39.68 37.92 -21.50 38.38 38.90 -18.90 39.03 38.41 -20.20 2 0 1000.00 -999 ? >ASP~B 193 42.75 33.29 -25.78 44.39 34.22 -24.85 43.57 33.76 -25.31 2 0 1000.00 -999 ? >TYR~B 194 37.35 30.31 -28.38 35.76 29.37 -30.49 36.56 29.84 -29.44 3 0 1000.00 -999 ? >ALA~B 195 36.32 34.87 -26.91 35.89 35.31 -25.52 36.10 35.09 -26.21 2 0 1000.00 -999 ? >GLU~B 196 39.61 38.51 -26.24 41.32 39.29 -25.28 40.47 38.90 -25.76 2 0 1000.00 -999 ? >ARG~B 197 42.34 35.39 -29.75 44.32 37.22 -28.29 43.33 36.31 -29.02 2 0 1000.00 -999 ? >GLU~B 198 37.14 32.01 -33.00 36.83 32.20 -35.08 36.98 32.10 -34.04 2 0 1000.00 -999 ? >PRO~B 199 35.60 38.39 -31.20 34.35 36.54 -31.16 34.97 37.47 -31.18 3 0 1000.00 -999 ? >VAL~B 200 31.09 35.87 -33.33 30.74 36.53 -35.38 30.92 36.20 -34.36 3 0 1000.00 -999 ? >ILE~B 201 32.24 31.13 -33.01 32.81 29.97 -33.68 32.53 30.55 -33.34 3 0 1000.00 -999 ? >THR~B 202 31.34 32.75 -28.99 32.93 33.35 -27.62 32.13 33.05 -28.30 2 0 1000.00 -999 ? >ARG~B 203 26.96 38.40 -30.73 26.71 37.88 -33.74 26.83 38.14 -32.23 2 0 1000.00 -999 ? >LYS~B 204 26.25 32.60 -31.13 29.46 30.13 -34.98 27.86 31.37 -33.06 2 0 1000.00 -999 ? >VAL~B 205 27.26 29.70 -28.86 29.01 28.44 -28.42 28.13 29.07 -28.64 3 0 1000.00 -999 ? >HIS~B 206 25.69 33.75 -24.41 24.51 34.86 -23.07 25.10 34.30 -23.74 3 0 1000.00 -999 ? >GLU~B 207 22.93 34.81 -28.57 22.72 36.05 -30.27 22.82 35.43 -29.42 2 0 1000.00 -999 ? >ALA~B 208 22.23 28.83 -28.63 23.17 27.96 -29.48 22.70 28.39 -29.06 2 0 1000.00 -999 ? >PHE~B 209 24.90 27.02 -24.04 26.74 24.93 -24.01 25.82 25.97 -24.03 3 0 1000.00 -999 ? >LEU~B 210 19.99 31.72 -23.89 21.23 33.02 -22.68 20.61 32.37 -23.28 3 0 1000.00 -999 ? >ALA~B 211 17.58 29.07 -26.52 17.79 29.26 -28.01 17.68 29.17 -27.27 2 0 1000.00 -999 ? >SER~B 212 18.39 25.44 -25.78 20.16 24.69 -27.26 19.27 25.07 -26.52 2 0 1000.00 -999 ? >ARG~B 213 17.05 27.85 -19.42 18.33 30.64 -19.34 17.69 29.25 -19.38 2 0 1000.00 -999 ? >ASN~B 214 14.37 29.14 -23.49 15.42 30.81 -22.75 14.90 29.97 -23.12 2 0 1000.00 -999 ? >LEU~B 215 13.84 24.45 -26.02 12.64 23.53 -27.58 13.24 23.99 -26.80 3 0 1000.00 -999 ? >SER~B 216 14.23 22.54 -21.96 16.06 23.27 -20.49 15.14 22.91 -21.23 2 0 1000.00 -999 ? >LEU~B 217 12.28 25.97 -19.11 13.72 26.97 -17.87 13.00 26.47 -18.49 3 0 1000.00 -999 ? >GLU~B 218 9.44 25.00 -23.81 9.15 26.62 -25.12 9.29 25.81 -24.46 2 0 1000.00 -999 ? >GLU~B 219 9.55 21.11 -24.93 10.28 20.51 -26.80 9.92 20.81 -25.87 2 0 1000.00 -999 ? >VAL~B 220 10.91 19.50 -19.08 10.58 20.08 -17.00 10.74 19.79 -18.04 3 0 1000.00 -999 ? >GLU~B 221 6.16 18.59 -18.25 6.15 20.34 -19.49 6.15 19.47 -18.87 2 0 1000.00 -999 ? >LYS~B 222 9.16 15.21 -22.04 6.96 17.18 -27.64 8.06 16.20 -24.84 2 0 1000.00 -999 ? >VAL~B 223 12.74 15.10 -20.81 14.38 16.52 -20.68 13.56 15.81 -20.74 3 0 1000.00 -999 ? >ALA~B 224 11.77 13.29 -17.61 10.98 13.89 -16.44 11.37 13.59 -17.03 2 0 1000.00 -999 ? >GLU~B 225 7.52 10.19 -21.04 5.99 10.90 -22.32 6.75 10.55 -21.68 2 0 1000.00 -999 ? >GLN~B 226 13.92 10.19 -23.74 14.69 11.46 -25.25 14.31 10.82 -24.50 2 0 1000.00 -999 ? >ALA~B 227 14.98 9.63 -19.26 15.53 10.78 -18.42 15.25 10.21 -18.84 2 0 1000.00 -999 ? >ALA~B 228 12.81 7.46 -16.96 11.37 7.76 -16.55 12.09 7.61 -16.75 2 0 1000.00 -999 ? >ARG.B 229 11.21 5.14 -23.04 11.05 7.81 -24.52 11.13 6.47 -23.78 2 0 1000.00 -999 ? >TRP.B 230 16.50 6.19 -22.11 16.09 2.65 -23.78 16.29 4.42 -22.95 3 0 1000.00 -999 ? >GLU.B 231 18.21 8.10 -16.47 20.25 7.67 -16.89 19.23 7.88 -16.68 2 0 1000.00 -999 ? >ALA.B 232 17.17 4.32 -12.06 18.34 4.01 -11.14 17.75 4.17 -11.60 2 0 1000.00 -999 ? >PHE.B 233 16.71 8.75 -10.35 19.22 8.92 -9.11 17.97 8.83 -9.73 3 0 1000.00 -999 ? >ASP~B 234 10.00 6.74 -10.89 9.80 7.98 -9.18 9.90 7.36 -10.03 2 0 1000.00 -999 ? >GLU~B 235 8.08 10.71 -15.83 6.45 10.33 -17.10 7.26 10.52 -16.47 2 0 1000.00 -999 ? >ASP~B 236 7.11 11.35 -10.05 5.22 10.84 -10.88 6.16 11.10 -10.46 2 0 1000.00 -999 ? >THR~B 237 11.50 11.97 -9.40 12.58 10.64 -8.09 12.04 11.30 -8.74 2 0 1000.00 -999 ? >LEU~B 238 13.33 12.37 -13.91 14.85 10.86 -14.22 14.09 11.61 -14.06 3 0 1000.00 -999 ? >ALA~B 239 10.57 15.81 -13.27 9.08 15.57 -13.52 9.83 15.69 -13.39 2 0 1000.00 -999 ? >LYS~B 240 10.85 16.98 -9.66 10.20 17.65 -4.21 10.53 17.31 -6.93 2 0 1000.00 -999 ? >TYR~B 241 16.98 16.29 -10.30 19.70 16.86 -10.50 18.34 16.57 -10.40 3 0 1000.00 -999 ? >PHE~B 242 14.83 17.18 -15.08 16.21 14.94 -16.03 15.52 16.06 -15.55 3 0 1000.00 -999 ? >THR~B 243 12.13 21.57 -12.06 10.14 20.68 -12.13 11.14 21.13 -12.10 2 0 1000.00 -999 ? >THR~B 244 13.98 22.02 -8.78 14.08 20.92 -6.92 14.03 21.47 -7.85 2 0 1000.00 -999 ? >LEU~B 245 17.92 22.14 -11.65 19.20 20.42 -11.32 18.56 21.28 -11.49 3 0 1000.00 -999 ? >ASP.B 246 17.53 27.60 -9.97 16.73 29.51 -10.35 17.13 28.56 -10.16 2 0 1000.00 -999 ? >PHE.B 247 19.66 25.45 -15.62 20.83 22.92 -15.43 20.24 24.19 -15.52 3 0 1000.00 -999 ? >ARG.B 248 15.52 32.49 -12.95 14.32 32.70 -10.15 14.92 32.59 -11.55 2 0 1000.00 -999 ? >PHE.B 249 24.57 33.56 -14.00 27.04 34.26 -12.83 25.80 33.91 -13.41 3 0 1000.00 -999 ? >GLY~B 250 20.98 37.30 -13.17 21.33 36.87 -12.49 21.15 37.09 -12.83 1 0 1000.00 -999 ? >ALA~B 251 21.42 39.73 -10.26 20.75 41.12 -10.12 21.08 40.42 -10.19 2 0 1000.00 -999 ? >PRO~B 252 17.78 38.03 -8.58 19.97 37.87 -8.21 18.88 37.95 -8.40 3 0 1000.00 -999 ? >GLN~B 253 20.73 33.12 -10.07 19.09 34.39 -10.56 19.91 33.76 -10.32 2 0 1000.00 -999 ? >LEU~B 254 25.43 38.04 -9.85 27.23 38.71 -10.84 26.33 38.38 -10.35 3 0 1000.00 -999 ? >GLU~B 255 23.23 39.00 -3.41 21.27 39.33 -2.61 22.25 39.17 -3.01 2 0 1000.00 -999 ? >ALA~B 256 24.97 34.41 -4.13 24.14 33.22 -4.61 24.56 33.82 -4.37 2 0 1000.00 -999 ? >VAL~B 257 28.27 34.08 -5.97 28.86 33.69 -8.05 28.57 33.89 -7.01 3 0 1000.00 -999 ? >THR~B 258 29.44 37.39 -4.54 29.10 39.47 -5.00 29.27 38.43 -4.77 2 0 1000.00 -999 ? >GLU~B 259 27.07 35.79 1.08 27.80 37.24 2.46 27.44 36.52 1.77 2 0 1000.00 -999 ? >PHE~B 260 30.45 30.61 -2.49 31.91 28.22 -2.34 31.18 29.42 -2.41 3 0 1000.00 -999 ? >ALA~B 261 33.27 34.45 -2.82 33.33 35.33 -4.05 33.30 34.89 -3.44 2 0 1000.00 -999 ? >ARG~B 262 31.40 39.21 2.44 29.46 38.38 4.67 30.43 38.79 3.56 2 0 1000.00 -999 ? >ARG~B 263 29.77 33.53 4.17 27.23 34.27 5.71 28.50 33.90 4.94 2 0 1000.00 -999 ? >VAL~B 264 35.70 31.48 1.06 34.30 30.13 0.04 35.00 30.81 0.55 3 0 1000.00 -999 ? >GLY~B 265 37.92 33.56 -1.20 38.05 33.27 -0.45 37.99 33.42 -0.82 1 0 1000.00 -999 ? >PRO~B 266 39.37 35.82 2.22 40.09 34.09 1.02 39.73 34.95 1.62 3 0 1000.00 -999 ? >THR~B 267 41.00 30.41 2.38 39.58 30.11 3.98 40.29 30.26 3.18 2 0 1000.00 -999 ? >THR~B 268 40.32 29.05 -1.09 38.33 28.36 -1.64 39.33 28.70 -1.37 2 0 1000.00 -999 ? >GLY~B 269 42.81 30.92 -3.24 42.14 31.27 -3.24 42.48 31.10 -3.24 1 0 1000.00 -999 ? >PHE.B 270 38.76 32.85 -5.32 36.41 31.91 -4.11 37.59 32.38 -4.72 3 0 1000.00 -999 ? >PRO.B 271 41.47 38.10 -5.95 40.39 36.90 -4.41 40.93 37.50 -5.18 3 0 1000.00 -999 ? >ALA.B 272 37.25 37.71 -1.62 37.36 38.20 -0.18 37.30 37.96 -0.90 2 0 1000.00 -999 ? >ASP.B 273 36.42 41.89 -3.60 38.43 42.28 -4.10 37.42 42.08 -3.85 2 0 1000.00 -999 ? >VAL.B 274 36.95 38.70 -7.17 36.67 36.66 -7.87 36.81 37.68 -7.52 3 0 1000.00 -999 ? >LYS.B 275 34.99 40.10 -10.10 31.80 42.70 -12.83 33.40 41.40 -11.46 2 0 1000.00 -999 ? >VAL.B 276 33.07 37.93 -12.58 31.60 36.39 -12.11 32.33 37.16 -12.34 3 0 1000.00 -999 ? >GLU.B 277 35.18 39.63 -18.19 35.06 41.72 -18.09 35.12 40.68 -18.14 2 0 1000.00 -999 ? >LEU.B 278 29.28 39.18 -17.72 28.09 38.34 -16.12 28.69 38.76 -16.92 3 0 1000.00 -999 ? >LEU.B 279 29.91 37.08 -22.73 30.48 36.33 -24.67 30.19 36.71 -23.70 3 0 1000.00 -999 ? >LYS.B 280 29.00 41.63 -23.42 32.07 42.69 -19.80 30.53 42.16 -21.61 2 0 1000.00 -999 ? >ARG.C 4 13.88 -1.50 -21.09 12.19 0.97 -21.83 13.03 -0.26 -21.46 2 0 1000.00 -999 ? >THR.C 5 20.29 0.30 -21.08 22.31 -0.36 -20.72 21.30 -0.03 -20.90 2 0 1000.00 -999 ? >ARG.C 6 20.43 6.33 -23.58 20.12 7.59 -20.79 20.27 6.96 -22.18 2 0 1000.00 -999 ? >PRO.C 7 18.82 1.80 -28.34 20.28 0.98 -26.88 19.55 1.39 -27.61 3 0 1000.00 -999 ? >ARG^C 8 26.45 -1.13 -26.45 27.22 -4.04 -27.09 26.84 -2.59 -26.77 2 0 1000.00 -999 ? >VAL^C 9 23.66 2.71 -32.11 21.65 3.37 -32.63 22.66 3.04 -32.37 3 0 1000.00 -999 ? >GLY^C 10 26.23 3.40 -34.82 25.44 3.66 -34.89 25.83 3.53 -34.85 1 0 1000.00 -999 ? >HIS^C 11 25.22 8.73 -37.22 24.29 10.15 -38.44 24.76 9.44 -37.83 3 0 1000.00 -999 ? >ILE^C 12 27.97 6.86 -41.65 28.05 6.20 -42.89 28.01 6.53 -42.27 3 0 1000.00 -999 ? >GLN.C 13 32.83 9.70 -39.75 34.76 9.64 -38.86 33.80 9.67 -39.30 2 0 1000.00 -999 ? >PHE~C 14 31.68 9.67 -44.36 34.00 8.10 -44.46 32.84 8.88 -44.41 3 0 1000.00 -999 ? >LEU~C 15 28.54 15.23 -45.58 29.45 17.17 -45.21 29.00 16.20 -45.39 3 0 1000.00 -999 ? >ASN~C 16 26.30 10.21 -46.81 27.51 8.97 -45.57 26.90 9.59 -46.19 2 0 1000.00 -999 ? >CYH~C 17 24.24 10.97 -42.76 24.24 8.15 -42.86 24.24 9.56 -42.81 2 0 1000.00 -999 ? >LEU~C 18 25.24 15.69 -42.07 26.07 17.27 -40.85 25.66 16.48 -41.46 3 0 1000.00 -999 ? >PRO~C 19 21.48 15.46 -44.62 21.49 15.12 -42.41 21.48 15.29 -43.52 3 0 1000.00 -999 ? >LEU~C 20 20.24 10.73 -40.79 19.09 9.03 -40.15 19.67 9.88 -40.47 3 0 1000.00 -999 ? >TYR~C 21 23.82 13.70 -35.98 24.77 14.08 -33.37 24.29 13.89 -34.68 3 0 1000.00 -999 ? >TRP~C 22 17.67 18.36 -39.24 18.70 21.92 -37.91 18.19 20.15 -38.57 3 0 1000.00 -999 ? >GLY~C 23 16.77 14.63 -37.61 17.40 14.54 -37.08 17.09 14.58 -37.34 1 0 1000.00 -999 ? >LEU~C 24 19.07 11.57 -34.65 19.22 9.54 -35.32 19.15 10.55 -34.99 3 0 1000.00 -999 ? >ALA~C 25 18.72 15.61 -32.74 19.84 16.57 -33.13 19.28 16.09 -32.93 2 0 1000.00 -999 ? >ARG~C 26 15.30 20.47 -36.08 12.56 21.85 -35.90 13.93 21.16 -35.99 2 0 1000.00 -999 ? >THR~C 27 13.23 14.78 -32.68 13.34 13.23 -34.22 13.29 14.00 -33.45 2 0 1000.00 -999 ? >GLY~C 28 15.19 14.15 -29.48 15.18 13.59 -30.12 15.18 13.87 -29.80 1 0 1000.00 -999 ? >THR~C 29 15.84 10.56 -30.61 15.29 9.42 -32.38 15.57 9.99 -31.50 2 0 1000.00 -999 ? >LEU~C 30 20.40 12.23 -29.95 21.79 12.57 -31.57 21.09 12.40 -30.76 3 0 1000.00 -999 ? >LEU~C 31 18.00 11.86 -25.18 18.33 14.01 -25.27 18.17 12.94 -25.23 3 0 1000.00 -999 ? >ASP~C 32 16.05 6.96 -27.17 14.33 7.85 -26.30 15.19 7.41 -26.73 2 0 1000.00 -999 ? >PHE~C 33 19.87 6.32 -30.50 17.92 5.80 -32.45 18.89 6.06 -31.48 3 0 1000.00 -999 ? >GLU^C 34 25.82 3.98 -25.53 26.08 2.36 -24.18 25.95 3.17 -24.86 2 0 1000.00 -999 ? >LEU^C 35 25.00 7.74 -30.89 24.58 8.24 -32.95 24.79 7.99 -31.92 3 0 1000.00 -999 ? >THR^C 36 28.96 5.86 -31.79 30.19 4.12 -31.36 29.58 4.99 -31.58 2 0 1000.00 -999 ? >LYS^C 37 30.14 7.89 -34.80 27.82 13.78 -35.12 28.98 10.83 -34.96 2 0 1000.00 -999 ? >ASP^C 38 33.08 4.97 -36.42 35.18 4.60 -36.22 34.13 4.78 -36.32 2 0 1000.00 -999 ? >THR~C 39 33.45 5.40 -40.70 35.58 5.65 -41.03 34.52 5.52 -40.87 2 0 1000.00 -999 ? >PRO~C 40 31.79 3.82 -44.31 31.63 3.30 -42.17 31.71 3.56 -43.24 3 0 1000.00 -999 ? >GLU~C 41 35.86 0.52 -43.36 37.14 0.52 -41.71 36.50 0.52 -42.53 2 0 1000.00 -999 ? >LYS~C 42 34.40 -0.15 -38.70 38.78 3.10 -39.48 36.59 1.47 -39.09 2 0 1000.00 -999 ? >LEU~C 43 29.87 1.64 -38.35 29.55 3.58 -37.45 29.71 2.61 -37.90 3 0 1000.00 -999 ? >SER~C 44 29.80 -2.61 -39.80 29.50 -1.86 -42.09 29.65 -2.24 -40.94 2 0 1000.00 -999 ? >GLU~C 45 34.88 -4.41 -39.20 36.89 -3.75 -39.01 35.88 -4.08 -39.11 2 0 1000.00 -999 ? >GLN~C 46 32.71 -1.17 -33.86 32.71 0.96 -33.67 32.71 -0.11 -33.76 2 0 1000.00 -999 ? >LEU~C 47 26.95 -3.88 -36.35 24.78 -3.83 -36.21 25.87 -3.86 -36.28 3 0 1000.00 -999 ? >VAL~C 48 28.83 -7.84 -36.63 29.38 -8.60 -38.58 29.11 -8.22 -37.60 3 0 1000.00 -999 ? >ARG~C 49 34.26 -6.29 -33.63 36.19 -3.98 -34.24 35.22 -5.14 -33.94 2 0 1000.00 -999 ? >GLY.C 50 28.61 -7.27 -31.04 29.12 -6.78 -31.24 28.87 -7.02 -31.14 1 0 1000.00 -999 ? >ASP.C 51 31.41 -3.36 -30.44 32.99 -4.78 -30.25 32.20 -4.07 -30.34 2 0 1000.00 -999 ? >LEU.C 52 27.06 -1.61 -32.67 28.03 0.30 -32.90 27.54 -0.65 -32.78 3 0 1000.00 -999 ? >ASP.C 53 22.32 -3.05 -30.03 23.23 -3.38 -28.15 22.78 -3.22 -29.09 2 0 1000.00 -999 ? >ILE^C 54 20.55 -0.79 -33.82 19.15 -0.74 -33.77 19.85 -0.77 -33.79 3 0 1000.00 -999 ? >GLY^C 55 23.55 0.62 -36.88 23.18 0.02 -37.28 23.37 0.32 -37.08 1 0 1000.00 -999 ? >PRO^C 56 25.61 3.04 -39.89 24.25 1.27 -39.86 24.93 2.15 -39.87 3 0 1000.00 -999 ? >VAL^C 57 25.99 -1.70 -42.36 25.81 -3.68 -41.46 25.90 -2.69 -41.91 3 0 1000.00 -999 ? >THR^C 58 27.69 -1.38 -45.75 29.69 -1.90 -46.36 28.69 -1.64 -46.06 2 0 1000.00 -999 ? >LEU~C 59 25.21 -3.26 -49.50 23.52 -4.21 -50.45 24.37 -3.74 -49.97 3 0 1000.00 -999 ? >VAL~C 60 28.51 -6.14 -48.85 30.26 -6.20 -50.19 29.38 -6.17 -49.52 3 0 1000.00 -999 ? >GLU~C 61 31.26 -5.42 -44.41 32.50 -7.14 -44.46 31.88 -6.28 -44.44 2 0 1000.00 -999 ? >PHE~C 62 23.00 -6.48 -44.48 20.50 -7.45 -43.70 21.75 -6.96 -44.09 3 0 1000.00 -999 ? >LEU~C 63 25.22 -9.39 -48.72 23.71 -8.55 -50.04 24.47 -8.97 -49.38 3 0 1000.00 -999 ? >LYS~C 64 27.93 -11.72 -45.96 33.43 -9.25 -47.88 30.68 -10.49 -46.92 2 0 1000.00 -999 ? >ASN~C 65 26.88 -10.69 -41.51 29.00 -10.77 -41.32 27.94 -10.73 -41.41 2 0 1000.00 -999 ? >ALA.C 66 22.72 -11.94 -43.66 22.29 -12.26 -45.10 22.51 -12.10 -44.38 2 0 1000.00 -999 ? >ASP.C 67 22.75 -16.20 -41.30 22.24 -17.50 -42.88 22.50 -16.85 -42.09 2 0 1000.00 -999 ? >ASP.C 68 24.23 -12.94 -37.71 25.08 -14.86 -38.01 24.66 -13.90 -37.86 2 0 1000.00 -999 ? >LEU^C 69 22.23 -8.61 -40.01 24.14 -7.81 -39.38 23.19 -8.21 -39.69 3 0 1000.00 -999 ? >VAL^C 70 17.78 -8.07 -39.65 16.12 -8.79 -38.42 16.95 -8.43 -39.04 3 0 1000.00 -999 ? >ALA^C 71 17.43 -5.10 -42.02 17.59 -5.22 -43.55 17.51 -5.16 -42.78 2 0 1000.00 -999 ? >PHE^C 72 16.15 -0.82 -39.09 16.60 -0.93 -36.32 16.37 -0.88 -37.71 3 0 1000.00 -999 ? >PRO^C 73 11.07 -2.35 -42.34 12.98 -1.61 -43.21 12.03 -1.98 -42.78 3 0 1000.00 -999 ? >ASP^C 74 10.80 2.36 -44.91 9.20 1.19 -45.67 10.00 1.78 -45.29 2 0 1000.00 -999 ? >ILE^C 75 15.66 4.00 -43.35 16.37 4.32 -42.18 16.02 4.16 -42.77 3 0 1000.00 -999 ? >ALA^C 76 18.95 3.05 -46.40 18.74 1.96 -47.45 18.84 2.50 -46.93 2 0 1000.00 -999 ? >VAL^C 77 21.81 4.98 -47.96 23.53 5.80 -46.89 22.67 5.39 -47.42 3 0 1000.00 -999 ? >GLY^C 78 21.46 4.85 -51.74 21.33 5.61 -51.54 21.40 5.23 -51.64 1 0 1000.00 -999 ? >CYH^C 79 20.74 6.60 -55.02 23.02 5.61 -56.29 21.88 6.10 -55.65 2 0 1000.00 -999 ? >ASP.C 80 17.43 6.71 -58.25 16.37 5.92 -59.91 16.90 6.32 -59.08 2 0 1000.00 -999 ? >GLY.C 81 21.50 7.97 -60.70 21.75 7.73 -59.87 21.62 7.85 -60.28 1 0 1000.00 -999 ? >PRO.C 82 23.37 11.93 -60.01 23.83 9.78 -59.65 23.60 10.85 -59.83 3 0 1000.00 -999 ? >VAL.C 83 25.27 9.48 -55.59 26.39 7.97 -54.48 25.83 8.72 -55.03 3 0 1000.00 -999 ? >MET.C 84 27.96 12.19 -55.72 25.33 15.48 -55.68 26.65 13.84 -55.70 2 0 1000.00 -999 ? >SER.C 85 29.98 10.67 -52.83 28.26 10.18 -51.16 29.12 10.43 -52.00 2 0 1000.00 -999 ? >CYH^C 86 31.08 7.30 -54.25 29.29 6.01 -52.51 30.18 6.65 -53.38 2 0 1000.00 -999 ? >VAL^C 87 33.44 7.98 -57.15 33.57 10.13 -56.78 33.50 9.05 -56.96 3 0 1000.00 -999 ? >ILE^C 88 36.20 5.67 -60.30 36.33 4.29 -60.77 36.27 4.98 -60.54 3 0 1000.00 -999 ? >VAL^C 89 38.95 9.48 -59.72 39.35 11.24 -58.50 39.15 10.36 -59.11 3 0 1000.00 -999 ? >SER^C 90 41.31 8.82 -62.62 41.76 7.00 -64.18 41.54 7.91 -63.40 2 0 1000.00 -999 ? >GLN.C 91 46.07 9.65 -63.81 47.69 9.88 -62.45 46.88 9.76 -63.13 2 0 1000.00 -999 ? >VAL.C 92 43.33 8.47 -67.64 44.93 7.06 -67.19 44.13 7.77 -67.42 3 0 1000.00 -999 ? >PRO~C 93 40.86 8.21 -71.25 40.91 7.27 -69.23 40.88 7.74 -70.24 3 0 1000.00 -999 ? >LEU~C 94 37.36 3.76 -67.15 36.40 4.34 -65.30 36.88 4.05 -66.22 3 0 1000.00 -999 ? >ASP~C 95 38.62 1.55 -71.74 38.77 3.51 -72.51 38.69 2.53 -72.13 2 0 1000.00 -999 ? >LEU~C 97 42.39 1.40 -65.44 42.29 3.35 -64.52 42.34 2.37 -64.98 3 0 1000.00 -999 ? >ASP.C 98 44.71 -3.13 -68.84 44.13 -5.10 -69.32 44.42 -4.11 -69.08 2 0 1000.00 -999 ? >GLY.C 99 47.15 -3.67 -65.50 46.96 -2.88 -65.64 47.05 -3.28 -65.57 1 0 1000.00 -999 ? >ALA.C 100 47.22 -0.21 -63.94 46.42 0.96 -64.49 46.82 0.38 -64.21 2 0 1000.00 -999 ? >ARG^C 101 50.08 -0.91 -58.88 51.42 0.07 -56.29 50.75 -0.42 -57.59 2 0 1000.00 -999 ? >VAL^C 102 44.28 1.39 -58.64 42.43 1.18 -59.77 43.36 1.29 -59.20 3 0 1000.00 -999 ? >ALA^C 103 43.94 2.58 -55.04 44.64 3.86 -54.57 44.29 3.22 -54.81 2 0 1000.00 -999 ? >LEU^C 104 40.49 0.05 -53.04 39.93 -1.13 -54.75 40.21 -0.54 -53.90 3 0 1000.00 -999 ? >GLY^C 105 39.95 3.67 -50.00 39.81 2.85 -50.19 39.88 3.26 -50.09 1 0 1000.00 -999 ? >SER.C 106 39.96 1.48 -46.88 41.41 2.66 -45.34 40.69 2.07 -46.11 2 0 1000.00 -999 ? >THR.C 107 36.75 2.91 -45.44 36.86 5.05 -45.35 36.80 3.98 -45.40 2 0 1000.00 -999 ? >SER.C 108 34.69 1.30 -48.22 33.87 1.18 -50.50 34.28 1.24 -49.36 2 0 1000.00 -999 ? >ARG.C 109 35.18 -3.84 -46.48 37.38 -2.47 -44.80 36.28 -3.15 -45.64 2 0 1000.00 -999 ? >THR~C 110 30.58 -1.85 -51.12 28.45 -1.85 -50.80 29.52 -1.85 -50.96 2 0 1000.00 -999 ? >SER~C 111 31.64 0.97 -53.44 30.75 3.08 -52.65 31.19 2.03 -53.04 2 0 1000.00 -999 ? >VAL~C 112 35.03 -0.69 -54.00 36.17 -0.84 -52.13 35.60 -0.76 -53.07 3 0 1000.00 -999 ? >ARG~C 113 33.14 -6.95 -54.69 32.72 -8.50 -57.29 32.93 -7.72 -55.99 2 0 1000.00 -999 ? >LEU~C 114 30.00 -0.91 -56.88 28.27 -0.27 -58.03 29.13 -0.59 -57.45 3 0 1000.00 -999 ? >ALA~C 115 33.91 -0.32 -58.83 34.92 0.53 -58.09 34.41 0.10 -58.46 2 0 1000.00 -999 ? >GLN~C 116 37.19 -3.96 -57.34 37.75 -5.22 -55.72 37.47 -4.59 -56.53 2 0 1000.00 -999 ? >LEU~C 117 31.09 -5.01 -60.15 29.40 -6.04 -61.05 30.24 -5.52 -60.60 3 0 1000.00 -999 ? >LEU~C 118 31.82 -0.69 -62.94 29.68 -0.57 -62.59 30.75 -0.63 -62.76 3 0 1000.00 -999 ? >LEU~C 119 36.88 -1.85 -63.28 37.44 0.18 -62.79 37.16 -0.83 -63.04 3 0 1000.00 -999 ? >SER~C 120 35.97 -5.76 -65.24 35.28 -7.19 -63.41 35.63 -6.47 -64.33 2 0 1000.00 -999 ? >GLU~C 121 31.83 -7.99 -64.58 32.56 -9.63 -65.70 32.19 -8.81 -65.14 2 0 1000.00 -999 ? >ARG~C 122 30.49 -0.18 -69.05 27.85 1.04 -70.04 29.17 0.43 -69.55 2 0 1000.00 -999 ? >PHE.C 123 34.69 0.44 -68.11 32.91 2.55 -67.65 33.80 1.49 -67.88 3 0 1000.00 -999 ? >GLY.C 124 36.91 -5.14 -69.16 37.15 -4.38 -69.01 37.03 -4.76 -69.08 1 0 1000.00 -999 ? >VAL.C 125 40.30 -4.14 -67.73 39.66 -2.14 -67.17 39.98 -3.14 -67.45 3 0 1000.00 -999 ? >PRO.C 127 41.55 -2.34 -62.74 43.10 -3.94 -62.89 42.32 -3.14 -62.81 3 0 1000.00 -999 ? >ASP^C 128 47.76 -3.76 -60.15 48.99 -4.75 -58.73 48.37 -4.26 -59.44 2 0 1000.00 -999 ? >TYR^C 129 41.83 -3.46 -57.60 39.84 -2.98 -59.54 40.83 -3.22 -58.57 3 0 1000.00 -999 ? >TYR^C 130 47.35 -0.11 -53.74 47.78 2.63 -54.00 47.57 1.26 -53.87 3 0 1000.00 -999 ? >THR^C 131 43.99 -0.73 -50.36 42.41 -1.71 -49.28 43.20 -1.22 -49.82 2 0 1000.00 -999 ? >CYH^C 132 45.10 2.42 -48.58 45.28 4.28 -50.67 45.19 3.35 -49.63 2 0 1000.00 -999 ? >PRO.C 133 45.46 4.70 -44.93 44.11 4.70 -46.70 44.79 4.70 -45.82 3 0 1000.00 -999 ? >PRO.C 134 39.93 7.45 -46.36 41.69 7.20 -47.73 40.81 7.33 -47.04 3 0 1000.00 -999 ? >ASP.C 135 44.98 10.53 -49.16 45.96 12.36 -48.77 45.47 11.44 -48.97 2 0 1000.00 -999 ? >LEU.C 136 42.94 12.70 -53.20 41.95 13.32 -55.03 42.44 13.01 -54.11 3 0 1000.00 -999 ? >SER.C 137 47.22 13.24 -53.21 46.81 15.39 -52.14 47.02 14.31 -52.67 2 0 1000.00 -999 ? >LEU.C 138 48.70 9.65 -50.38 50.36 10.81 -49.61 49.53 10.23 -49.99 3 0 1000.00 -999 ? >MET.C 139 46.78 7.54 -53.93 43.01 7.39 -52.24 44.89 7.46 -53.08 2 0 1000.00 -999 ? >GLU.C 142 51.41 8.94 -56.44 50.49 10.71 -55.76 50.95 9.83 -56.10 2 0 1000.00 -999 ? >ALA.C 143 48.12 5.04 -58.90 47.10 4.22 -58.12 47.61 4.63 -58.51 2 0 1000.00 -999 ? >ASP.C 144 46.36 5.33 -63.42 48.30 4.70 -63.97 47.33 5.01 -63.70 2 0 1000.00 -999 ? >ALA^C 145 42.92 5.74 -60.48 41.96 4.93 -61.35 42.44 5.33 -60.91 2 0 1000.00 -999 ? >ALA^C 146 41.47 5.68 -56.96 42.14 6.72 -56.09 41.81 6.20 -56.52 2 0 1000.00 -999 ? >VAL^C 147 38.09 4.61 -55.57 36.95 2.82 -56.06 37.52 3.72 -55.81 3 0 1000.00 -999 ? >LEU^C 148 37.33 8.32 -52.85 39.39 8.82 -52.38 38.36 8.57 -52.62 3 0 1000.00 -999 ? >ILE^C 149 33.11 5.98 -50.05 33.18 4.75 -49.46 33.14 5.37 -49.75 3 0 1000.00 -999 ? >GLY~C 150 32.28 9.78 -48.15 32.52 9.99 -48.85 32.40 9.89 -48.50 1 0 1000.00 -999 ? >ASP~C 151 33.71 14.05 -46.38 32.08 13.96 -45.01 32.90 14.01 -45.69 2 0 1000.00 -999 ? >ALA~C 152 36.66 12.59 -49.51 37.62 11.46 -49.15 37.14 12.02 -49.33 2 0 1000.00 -999 ? >ALA~C 153 34.77 11.36 -52.57 33.81 10.18 -52.61 34.29 10.77 -52.59 2 0 1000.00 -999 ? >LEU~C 154 31.52 14.77 -51.37 29.71 15.95 -51.56 30.62 15.36 -51.46 3 0 1000.00 -999 ? >ARG~C 155 38.95 16.95 -50.41 42.01 17.16 -50.17 40.48 17.05 -50.29 2 0 1000.00 -999 ? >ALA~C 156 37.32 15.06 -55.08 37.76 13.60 -55.14 37.54 14.33 -55.11 2 0 1000.00 -999 ? >ASN~C 157 32.93 14.27 -56.90 31.39 14.44 -58.37 32.16 14.36 -57.63 2 0 1000.00 -999 ? >MET~C 158 33.07 18.70 -56.36 30.02 17.86 -56.65 31.54 18.28 -56.51 2 0 1000.00 -999 ? >ILE~C 159 36.64 20.87 -54.38 36.53 21.74 -53.29 36.58 21.31 -53.83 3 0 1000.00 -999 ? >ASP.C 160 40.08 17.30 -55.50 40.24 17.80 -53.45 40.16 17.55 -54.47 2 0 1000.00 -999 ? >GLY.C 161 38.39 17.66 -59.85 38.10 18.39 -59.56 38.24 18.02 -59.71 1 0 1000.00 -999 ? >VAL.C 168 35.82 11.65 -61.53 35.66 13.16 -59.96 35.74 12.40 -60.74 3 0 1000.00 -999 ? >HIS^C 169 34.59 7.89 -64.17 35.83 8.27 -65.81 35.21 8.08 -64.99 3 0 1000.00 -999 ? >ASP^C 170 28.87 9.63 -60.28 27.47 9.40 -58.70 28.17 9.51 -59.49 2 0 1000.00 -999 ? >LEU~C 171 30.17 4.35 -57.98 32.11 3.38 -58.00 31.14 3.87 -57.99 3 0 1000.00 -999 ? >GLY~C 172 25.82 5.50 -58.84 26.29 5.70 -59.52 26.06 5.60 -59.18 1 0 1000.00 -999 ? >ALA~C 173 25.58 7.00 -62.32 26.18 8.34 -62.73 25.88 7.67 -62.53 2 0 1000.00 -999 ? >LEU~C 174 29.25 3.99 -63.46 30.97 5.13 -64.08 30.11 4.56 -63.77 3 0 1000.00 -999 ? >TRP~C 175 23.14 0.45 -60.14 24.38 -3.28 -60.41 23.76 -1.42 -60.28 3 0 1000.00 -999 ? >LYS~C 176 22.54 3.35 -63.61 18.09 6.53 -63.25 20.32 4.94 -63.43 2 0 1000.00 -999 ? >GLU~C 177 25.62 5.44 -67.29 27.68 5.90 -67.43 26.65 5.67 -67.36 2 0 1000.00 -999 ? >TRP~C 178 26.70 -2.69 -67.81 27.98 -4.77 -64.73 27.34 -3.73 -66.27 3 0 1000.00 -999 ? >THR~C 179 21.71 -1.55 -65.51 22.50 -2.02 -63.55 22.10 -1.79 -64.53 2 0 1000.00 -999 ? >GLY~C 180 19.20 1.29 -65.36 19.49 0.88 -64.70 19.34 1.08 -65.03 1 0 1000.00 -999 ? >LEU.C 181 18.96 -1.00 -61.18 17.96 -2.89 -61.47 18.46 -1.95 -61.32 3 0 1000.00 -999 ? >PRO.C 182 17.10 1.60 -57.76 18.87 2.05 -59.02 17.99 1.83 -58.39 3 0 1000.00 -999 ? >PHE^C 183 24.11 0.68 -56.01 25.94 -1.33 -55.34 25.03 -0.32 -55.67 3 0 1000.00 -999 ? >VAL^C 184 21.89 0.73 -52.16 20.23 -0.15 -51.06 21.06 0.29 -51.61 3 0 1000.00 -999 ? >PHE^C 185 26.24 3.03 -52.01 26.58 3.93 -54.65 26.41 3.48 -53.33 3 0 1000.00 -999 ? >ALA^C 186 24.32 0.58 -46.91 25.16 1.51 -46.03 24.74 1.05 -46.47 2 0 1000.00 -999 ? >VAL^C 187 21.28 -0.51 -44.92 21.06 -2.55 -45.67 21.17 -1.53 -45.30 3 0 1000.00 -999 ? >TRP^C 188 20.62 2.66 -39.28 21.04 4.93 -42.47 20.83 3.80 -40.87 3 0 1000.00 -999 ? >ALA^C 189 20.34 -3.36 -39.24 21.22 -4.40 -39.94 20.78 -3.88 -39.59 2 0 1000.00 -999 ? >ALA^C 190 19.90 -4.84 -35.79 18.50 -4.83 -35.16 19.20 -4.83 -35.47 2 0 1000.00 -999 ? >ARG^C 191 24.87 -7.47 -32.17 26.23 -10.18 -32.59 25.55 -8.82 -32.38 2 0 1000.00 -999 ? >ARG~C 192 18.97 -14.44 -36.15 16.15 -14.97 -37.26 17.56 -14.70 -36.71 2 0 1000.00 -999 ? >ASP~C 193 21.21 -12.14 -30.44 22.88 -10.90 -30.77 22.05 -11.52 -30.61 2 0 1000.00 -999 ? >TYR~C 194 19.75 -5.58 -29.50 18.92 -3.44 -27.87 19.33 -4.51 -28.69 3 0 1000.00 -999 ? >ALA~C 195 16.19 -7.85 -32.10 16.17 -8.05 -33.62 16.18 -7.95 -32.86 2 0 1000.00 -999 ? >GLU~C 196 15.55 -12.77 -32.44 16.64 -14.49 -32.98 16.09 -13.63 -32.71 2 0 1000.00 -999 ? >ARG~C 197 19.49 -10.91 -25.98 20.81 -8.16 -25.67 20.15 -9.53 -25.83 2 0 1000.00 -999 ? >GLU~C 198 16.60 -5.85 -25.78 15.45 -5.74 -24.01 16.03 -5.79 -24.89 2 0 1000.00 -999 ? >PRO~C 199 10.70 -7.90 -28.51 12.31 -6.63 -29.34 11.51 -7.27 -28.93 3 0 1000.00 -999 ? >VAL~C 200 10.15 -3.37 -28.48 8.66 -2.98 -26.93 9.40 -3.17 -27.70 3 0 1000.00 -999 ? >ILE~C 201 14.56 -1.51 -27.43 15.56 -1.13 -26.45 15.06 -1.32 -26.94 3 0 1000.00 -999 ? >THR~C 202 14.40 -2.35 -31.77 15.30 -4.15 -32.52 14.85 -3.25 -32.15 2 0 1000.00 -999 ? >ARG~C 203 7.48 -0.88 -32.51 5.92 -1.35 -29.90 6.70 -1.12 -31.20 2 0 1000.00 -999 ? >LYS~C 204 11.01 1.96 -31.50 7.66 2.07 -26.11 9.33 2.01 -28.81 2 0 1000.00 -999 ? >VAL~C 205 14.57 2.62 -32.66 16.62 2.08 -32.10 15.60 2.35 -32.38 3 0 1000.00 -999 ? >HIS~C 206 12.30 0.42 -38.00 11.42 0.27 -39.90 11.86 0.34 -38.95 3 0 1000.00 -999 ? >GLU~C 207 8.44 2.60 -35.41 7.07 2.03 -33.90 7.75 2.32 -34.66 2 0 1000.00 -999 ? >ALA~C 208 12.64 6.82 -34.57 13.46 6.73 -33.28 13.05 6.77 -33.93 2 0 1000.00 -999 ? >PHE~C 209 17.18 5.20 -37.39 19.77 4.95 -36.34 18.47 5.08 -36.86 3 0 1000.00 -999 ? >LEU~C 210 10.96 5.92 -40.17 11.08 4.05 -41.23 11.02 4.99 -40.70 3 0 1000.00 -999 ? >ALA~C 211 10.68 9.93 -38.22 10.18 9.96 -36.79 10.43 9.94 -37.50 2 0 1000.00 -999 ? >SER~C 212 14.13 11.54 -38.05 15.06 10.90 -35.89 14.60 11.22 -36.97 2 0 1000.00 -999 ? >ARG~C 213 14.22 9.74 -44.82 12.95 6.94 -45.01 13.59 8.34 -44.92 2 0 1000.00 -999 ? >ASN~C 214 10.15 11.72 -42.25 9.72 9.74 -42.90 9.94 10.73 -42.58 2 0 1000.00 -999 ? >LEU~C 215 12.38 15.52 -39.23 12.03 17.29 -38.02 12.21 16.41 -38.62 3 0 1000.00 -999 ? >SER~C 216 15.54 15.73 -42.39 16.43 13.60 -43.22 15.98 14.67 -42.80 2 0 1000.00 -999 ? >LEU~C 217 12.81 14.53 -46.23 13.39 12.59 -47.02 13.10 13.56 -46.62 3 0 1000.00 -999 ? >GLU~C 218 9.49 17.16 -44.08 7.96 16.92 -42.64 8.73 17.04 -43.36 2 0 1000.00 -999 ? >GLU~C 219 13.32 21.17 -41.03 13.45 20.90 -38.93 13.38 21.03 -39.98 2 0 1000.00 -999 ? >VAL~C 220 17.08 19.81 -45.81 17.22 19.40 -47.94 17.15 19.61 -46.87 3 0 1000.00 -999 ? >GLU~C 221 15.44 24.26 -47.79 14.28 22.51 -47.49 14.86 23.38 -47.64 2 0 1000.00 -999 ? >LYS~C 222 18.42 24.24 -42.77 13.91 26.33 -38.89 16.17 25.28 -40.83 2 0 1000.00 -999 ? >VAL~C 223 20.85 21.33 -42.67 20.57 19.16 -42.52 20.71 20.24 -42.59 3 0 1000.00 -999 ? >ALA~C 224 22.85 22.68 -45.62 22.33 22.80 -47.05 22.59 22.74 -46.34 2 0 1000.00 -999 ? >GLU~C 225 22.11 28.42 -43.25 20.45 29.63 -42.77 21.28 29.03 -43.01 2 0 1000.00 -999 ? >GLN~C 226 24.14 23.86 -38.64 22.94 22.81 -37.24 23.54 23.33 -37.94 2 0 1000.00 -999 ? >ALA~C 227 26.68 22.61 -42.47 26.28 21.44 -43.35 26.48 22.02 -42.91 2 0 1000.00 -999 ? >ALA~C 228 28.00 25.25 -44.87 27.11 26.15 -45.73 27.56 25.70 -45.30 2 0 1000.00 -999 ? >ARG~C 229 26.28 28.53 -39.58 23.56 29.38 -38.43 24.92 28.96 -39.00 2 0 1000.00 -999 ? >TRP.C 230 29.22 24.15 -38.69 31.11 26.81 -36.50 30.16 25.48 -37.59 3 0 1000.00 -999 ? >GLU.C 231 30.47 20.67 -43.89 31.77 19.39 -42.83 31.12 20.03 -43.36 2 0 1000.00 -999 ? >ALA.C 232 34.51 23.16 -47.24 35.76 22.35 -47.54 35.13 22.75 -47.39 2 0 1000.00 -999 ? >PHE.C 233 31.56 20.39 -49.67 33.28 18.18 -49.84 32.42 19.29 -49.75 3 0 1000.00 -999 ? >ASP~C 234 29.11 26.71 -51.45 28.58 25.65 -53.19 28.85 26.18 -52.32 2 0 1000.00 -999 ? >GLU~C 235 23.38 26.65 -48.00 22.28 28.33 -47.37 22.83 27.49 -47.69 2 0 1000.00 -999 ? >ASP~C 236 24.10 25.97 -53.88 23.24 27.89 -53.61 23.67 26.93 -53.75 2 0 1000.00 -999 ? >THR~C 237 26.39 22.21 -53.09 28.49 22.07 -53.58 27.44 22.14 -53.34 2 0 1000.00 -999 ? >LEU~C 238 25.67 21.19 -48.40 27.53 21.11 -47.28 26.60 21.15 -47.84 3 0 1000.00 -999 ? >ALA~C 239 21.72 21.17 -50.53 21.09 22.52 -50.84 21.41 21.85 -50.68 2 0 1000.00 -999 ? >LYS~C 240 22.21 19.52 -53.92 23.11 18.55 -59.05 22.66 19.03 -56.49 2 0 1000.00 -999 ? >TYR~C 241 25.90 15.50 -50.92 26.90 13.11 -49.85 26.40 14.30 -50.39 3 0 1000.00 -999 ? >PHE~C 242 22.40 17.39 -47.46 24.52 17.96 -45.68 23.46 17.67 -46.57 3 0 1000.00 -999 ? >THR~C 243 18.62 16.06 -51.96 18.22 18.10 -52.52 18.42 17.08 -52.24 2 0 1000.00 -999 ? >THR~C 244 20.45 13.86 -54.47 21.99 14.10 -55.97 21.22 13.98 -55.22 2 0 1000.00 -999 ? >LEU~C 245 21.51 11.31 -50.46 23.59 11.32 -49.90 22.55 11.31 -50.18 3 0 1000.00 -999 ? >ASP.C 246 17.92 7.78 -53.15 15.94 7.16 -53.48 16.93 7.47 -53.32 2 0 1000.00 -999 ? >PHE.C 247 18.54 8.55 -46.68 21.04 9.35 -45.74 19.79 8.95 -46.21 3 0 1000.00 -999 ? >ARG.C 248 12.00 6.82 -51.96 12.20 7.10 -55.01 12.10 6.96 -53.49 2 0 1000.00 -999 ? >PHE.C 249 15.80 -0.62 -47.88 17.02 -3.14 -48.08 16.41 -1.88 -47.98 3 0 1000.00 -999 ? >GLY~C 250 11.35 -0.33 -50.70 12.09 -0.51 -51.09 11.72 -0.42 -50.90 1 0 1000.00 -999 ? >ALA~C 251 10.62 -2.75 -53.53 9.24 -2.97 -54.17 9.93 -2.86 -53.85 2 0 1000.00 -999 ? >PRO~C 252 10.65 0.63 -56.29 12.05 -0.98 -55.68 11.35 -0.18 -55.99 3 0 1000.00 -999 ? >GLN~C 253 15.53 1.81 -52.87 13.59 2.41 -53.50 14.56 2.11 -53.19 2 0 1000.00 -999 ? >LEU~C 254 14.36 -4.81 -52.17 14.53 -6.61 -51.00 14.44 -5.71 -51.58 3 0 1000.00 -999 ? >GLU~C 255 14.98 -4.93 -59.12 13.62 -4.30 -60.63 14.30 -4.61 -59.87 2 0 1000.00 -999 ? >ALA~C 256 18.80 -3.28 -56.90 19.04 -1.82 -56.56 18.92 -2.55 -56.73 2 0 1000.00 -999 ? >VAL~C 257 20.36 -5.17 -53.98 20.28 -4.99 -51.80 20.32 -5.08 -52.89 3 0 1000.00 -999 ? >THR~C 258 19.12 -8.47 -55.40 17.16 -9.42 -55.49 18.14 -8.95 -55.44 2 0 1000.00 -999 ? >GLU~C 259 20.98 -6.76 -61.13 20.88 -8.63 -62.15 20.93 -7.70 -61.64 2 0 1000.00 -999 ? >PHE~C 260 25.58 -5.22 -55.74 28.27 -4.74 -55.07 26.93 -4.98 -55.40 3 0 1000.00 -999 ? >ALA~C 261 24.10 -9.75 -54.97 23.05 -10.15 -53.95 23.57 -9.95 -54.46 2 0 1000.00 -999 ? >ARG~C 262 21.30 -12.24 -61.26 23.03 -12.02 -63.78 22.17 -12.13 -62.52 2 0 1000.00 -999 ? >ARG~C 263 25.20 -7.50 -62.20 24.04 -6.16 -64.72 24.62 -6.83 -63.46 2 0 1000.00 -999 ? >VAL~C 264 28.64 -10.23 -56.94 29.32 -8.44 -55.89 28.98 -9.34 -56.42 3 0 1000.00 -999 ? >GLY~C 265 27.73 -13.02 -54.48 28.27 -12.98 -55.02 28.00 -13.00 -54.75 1 0 1000.00 -999 ? >PRO~C 266 27.96 -16.14 -57.43 29.29 -15.42 -55.80 28.62 -15.78 -56.62 3 0 1000.00 -999 ? >THR~C 267 33.05 -14.03 -55.75 33.17 -13.12 -57.71 33.11 -13.58 -56.73 2 0 1000.00 -999 ? >THR~C 268 32.31 -12.04 -52.61 31.77 -9.99 -53.05 32.04 -11.02 -52.83 2 0 1000.00 -999 ? >GLY.C 269 31.38 -14.77 -50.13 30.82 -14.47 -50.48 31.10 -14.62 -50.31 1 0 1000.00 -999 ? >PHE.C 270 27.11 -12.61 -50.35 27.20 -10.32 -51.96 27.15 -11.46 -51.16 3 0 1000.00 -999 ? >PRO.C 271 24.39 -18.09 -50.01 25.24 -16.66 -51.47 24.82 -17.38 -50.74 3 0 1000.00 -999 ? >ALA.C 272 24.00 -15.23 -55.29 24.15 -15.88 -56.66 24.08 -15.56 -55.98 2 0 1000.00 -999 ? >ASP.C 273 19.62 -16.73 -54.52 19.98 -18.54 -53.49 19.80 -17.63 -54.00 2 0 1000.00 -999 ? >VAL.C 274 21.07 -14.52 -50.37 22.24 -12.92 -49.49 21.65 -13.72 -49.93 3 0 1000.00 -999 ? >LYS.C 275 17.87 -13.62 -48.52 13.34 -12.74 -46.35 15.60 -13.18 -47.43 2 0 1000.00 -999 ? >VAL.C 276 17.70 -10.16 -46.93 18.24 -8.21 -47.74 17.97 -9.19 -47.33 3 0 1000.00 -999 ? >GLU.C 277 14.89 -11.91 -41.64 15.44 -13.05 -39.95 15.17 -12.48 -40.79 2 0 1000.00 -999 ? >LEU.C 278 12.73 -6.99 -43.90 13.11 -6.07 -45.82 12.92 -6.53 -44.86 3 0 1000.00 -999 ? >LEU.C 279 12.83 -5.05 -38.77 12.79 -4.50 -36.67 12.81 -4.78 -37.72 3 0 1000.00 -999 ? >LYS.C 280 8.69 -7.34 -39.54 11.69 -9.35 -37.37 10.19 -8.35 -38.46 2 0 1000.00 -999 ? >THR.D 5 60.24 26.42 -19.24 61.82 27.14 -17.93 61.03 26.78 -18.59 2 0 1000.00 -999 ? >ARG.D 6 62.66 21.11 -15.70 63.30 22.81 -13.25 62.98 21.96 -14.48 2 0 1000.00 -999 ? >PRO.D 7 63.44 20.28 -22.10 61.49 21.28 -21.71 62.47 20.78 -21.91 3 0 1000.00 -999 ? >ARG^D 8 55.07 20.49 -21.87 53.40 21.30 -24.29 54.23 20.90 -23.08 2 0 1000.00 -999 ? >VAL^D 9 59.96 15.05 -22.81 62.13 14.97 -22.84 61.05 15.01 -22.82 3 0 1000.00 -999 ? >GLY^D 10 58.32 11.72 -23.51 59.15 11.80 -23.47 58.74 11.76 -23.49 1 0 1000.00 -999 ? >HIS^D 11 61.50 7.43 -20.88 63.02 6.00 -20.67 62.26 6.72 -20.77 3 0 1000.00 -999 ? >ILE^D 12 59.13 4.00 -24.57 58.98 3.33 -25.82 59.06 3.66 -25.19 3 0 1000.00 -999 ? >GLN.D 13 55.38 2.15 -20.19 53.43 2.23 -19.35 54.40 2.19 -19.77 2 0 1000.00 -999 ? >PHE~D 14 57.07 -0.95 -23.20 54.34 -0.99 -23.88 55.70 -0.97 -23.54 3 0 1000.00 -999 ? >LEU~D 15 62.10 -3.66 -20.16 61.77 -4.50 -18.19 61.94 -4.08 -19.18 3 0 1000.00 -999 ? >ASN~D 16 62.78 -1.34 -25.24 61.02 -0.13 -25.38 61.90 -0.73 -25.31 2 0 1000.00 -999 ? >CYH~D 17 64.20 2.21 -22.58 63.20 3.51 -24.82 63.70 2.86 -23.70 2 0 1000.00 -999 ? >LEU~D 18 64.79 0.05 -18.29 64.50 -0.06 -16.15 64.64 0.00 -17.22 3 0 1000.00 -999 ? >PRO~D 19 68.47 -0.66 -20.82 68.07 1.28 -19.78 68.27 0.31 -20.30 3 0 1000.00 -999 ? >LEU~D 20 67.40 5.19 -22.55 67.66 7.02 -23.69 67.53 6.10 -23.12 3 0 1000.00 -999 ? >TYR~D 21 64.48 6.22 -16.60 63.25 7.84 -14.68 63.86 7.03 -15.64 3 0 1000.00 -999 ? >TRP~D 22 72.53 3.55 -16.20 72.67 2.23 -12.48 72.60 2.89 -14.34 3 0 1000.00 -999 ? >GLY~D 23 71.45 7.02 -18.25 70.76 7.23 -17.88 71.11 7.12 -18.06 1 0 1000.00 -999 ? >LEU~D 24 67.68 10.10 -18.37 66.96 10.43 -20.38 67.32 10.27 -19.38 3 0 1000.00 -999 ? >ALA~D 25 69.39 9.67 -14.21 68.79 8.51 -13.45 69.09 9.09 -13.83 2 0 1000.00 -999 ? >ARG~D 26 73.87 5.92 -12.90 76.80 6.87 -12.65 75.34 6.40 -12.77 2 0 1000.00 -999 ? >THR~D 27 74.05 12.02 -15.85 73.63 11.61 -17.91 73.84 11.81 -16.88 2 0 1000.00 -999 ? >GLY~D 28 71.50 14.08 -13.94 71.43 13.87 -14.75 71.47 13.98 -14.34 1 0 1000.00 -999 ? >THR~D 29 69.84 14.84 -17.30 70.11 14.24 -19.38 69.98 14.54 -18.33 2 0 1000.00 -999 ? >LEU~D 30 66.12 13.06 -14.71 65.18 11.17 -15.07 65.65 12.12 -14.89 3 0 1000.00 -999 ? >LEU~D 31 67.60 17.75 -12.66 68.19 16.46 -11.01 67.89 17.10 -11.84 3 0 1000.00 -999 ? >ASP~D 32 67.75 19.30 -17.97 69.40 20.31 -17.14 68.58 19.80 -17.55 2 0 1000.00 -999 ? >PHE~D 33 64.50 15.87 -19.87 66.42 15.29 -21.83 65.46 15.58 -20.85 3 0 1000.00 -999 ? >GLU^D 34 57.46 18.71 -17.02 56.15 20.26 -17.62 56.80 19.49 -17.32 2 0 1000.00 -999 ? >LEU^D 35 60.57 12.93 -17.83 61.19 10.99 -18.49 60.88 11.96 -18.16 3 0 1000.00 -999 ? >THR^D 36 56.31 11.92 -19.09 54.47 12.78 -19.86 55.39 12.35 -19.47 2 0 1000.00 -999 ? >LYS^D 37 56.27 8.11 -19.21 60.76 5.66 -15.49 58.52 6.89 -17.35 2 0 1000.00 -999 ? >ASP^D 38 52.85 7.30 -21.89 50.79 6.89 -21.69 51.82 7.09 -21.79 2 0 1000.00 -999 ? >THR~D 39 53.25 3.61 -24.04 51.34 2.67 -23.69 52.30 3.14 -23.86 2 0 1000.00 -999 ? >PRO~D 40 54.86 2.09 -27.74 54.47 4.11 -26.89 54.67 3.10 -27.31 3 0 1000.00 -999 ? >GLU~D 41 50.00 3.38 -27.42 48.07 2.84 -26.73 49.04 3.11 -27.08 2 0 1000.00 -999 ? >LYS~D 42 50.19 7.64 -26.60 45.83 5.68 -24.73 48.01 6.66 -25.67 2 0 1000.00 -999 ? >LEU~D 43 54.92 8.71 -26.14 55.74 8.42 -24.16 55.33 8.56 -25.15 3 0 1000.00 -999 ? >SER~D 44 53.42 9.66 -30.24 53.38 9.03 -32.55 53.40 9.34 -31.39 2 0 1000.00 -999 ? >GLU~D 45 48.26 9.09 -30.19 46.45 8.31 -29.42 47.36 8.70 -29.80 2 0 1000.00 -999 ? >GLN~D 46 50.53 12.48 -25.06 51.41 11.44 -23.43 50.97 11.96 -24.25 2 0 1000.00 -999 ? >LEU~D 47 55.11 14.10 -29.81 57.08 14.93 -30.16 56.10 14.51 -29.99 3 0 1000.00 -999 ? >VAL~D 48 51.91 15.20 -32.65 51.37 13.84 -34.28 51.64 14.52 -33.47 3 0 1000.00 -999 ? >ARG~D 49 46.80 15.75 -28.17 47.05 13.04 -26.75 46.92 14.40 -27.46 2 0 1000.00 -999 ? >GLY.D 50 51.55 19.38 -28.95 51.24 18.81 -28.57 51.40 19.10 -28.76 1 0 1000.00 -999 ? >ASP.D 51 50.26 16.94 -24.97 48.27 17.68 -24.93 49.26 17.31 -24.95 2 0 1000.00 -999 ? >LEU.D 52 55.28 15.68 -25.70 55.11 14.11 -24.21 55.19 14.89 -24.96 3 0 1000.00 -999 ? >ASP.D 53 58.69 20.09 -26.38 57.45 21.39 -25.27 58.07 20.74 -25.82 2 0 1000.00 -999 ? >ILE^D 54 61.74 16.53 -27.16 63.08 16.94 -27.42 62.41 16.74 -27.29 3 0 1000.00 -999 ? >GLY^D 55 60.03 12.38 -27.29 60.24 12.50 -28.05 60.14 12.44 -27.67 1 0 1000.00 -999 ? >PRO^D 56 59.44 8.11 -26.73 60.11 9.45 -28.38 59.78 8.78 -27.55 3 0 1000.00 -999 ? >VAL^D 57 57.99 8.39 -31.92 57.43 10.21 -32.99 57.71 9.30 -32.45 3 0 1000.00 -999 ? >THR^D 58 57.06 5.00 -33.31 55.15 4.07 -33.57 56.11 4.54 -33.44 2 0 1000.00 -999 ? >LEU~D 59 59.17 3.81 -37.54 60.53 4.01 -39.22 59.85 3.91 -38.38 3 0 1000.00 -999 ? >VAL~D 60 55.08 4.69 -38.76 53.67 3.10 -39.30 54.37 3.90 -39.03 3 0 1000.00 -999 ? >GLU~D 61 52.24 6.81 -35.02 50.48 7.04 -36.18 51.36 6.92 -35.60 2 0 1000.00 -999 ? >PHE~D 62 59.39 10.21 -37.54 61.28 12.14 -38.30 60.33 11.18 -37.92 3 0 1000.00 -999 ? >LEU~D 63 56.85 7.77 -41.90 58.78 6.83 -42.21 57.82 7.30 -42.05 3 0 1000.00 -999 ? >LYS~D 64 52.96 9.93 -41.33 48.76 5.42 -39.74 50.86 7.67 -40.53 2 0 1000.00 -999 ? >ASN~D 65 53.60 13.34 -38.17 51.64 12.68 -37.71 52.62 13.01 -37.94 2 0 1000.00 -999 ? >ALA.D 66 57.37 13.53 -41.25 57.87 12.64 -42.38 57.62 13.09 -41.81 2 0 1000.00 -999 ? >ASP.D 67 55.68 17.60 -43.34 55.67 16.49 -45.14 55.67 17.05 -44.24 2 0 1000.00 -999 ? >ASP.D 68 54.70 18.25 -38.29 53.37 19.10 -39.70 54.04 18.67 -38.99 2 0 1000.00 -999 ? >LEU^D 69 58.38 14.94 -36.50 56.68 14.54 -35.25 57.53 14.74 -35.88 3 0 1000.00 -999 ? >VAL^D 70 62.65 16.62 -36.82 63.73 18.48 -37.01 63.19 17.55 -36.91 3 0 1000.00 -999 ? >ALA^D 71 64.39 13.37 -35.83 64.39 12.14 -36.71 64.39 12.76 -36.27 2 0 1000.00 -999 ? >PHE^D 72 66.76 14.05 -31.28 65.58 16.15 -29.85 66.17 15.10 -30.57 3 0 1000.00 -999 ? >PRO^D 73 71.38 13.64 -35.56 69.96 12.01 -35.02 70.67 12.82 -35.29 3 0 1000.00 -999 ? >ASP^D 74 73.71 9.50 -33.33 74.87 10.11 -34.99 74.29 9.81 -34.16 2 0 1000.00 -999 ? >ILE^D 75 69.80 8.10 -30.06 69.07 8.65 -28.92 69.43 8.38 -29.49 3 0 1000.00 -999 ? >ALA^D 76 66.65 5.34 -31.93 66.51 5.24 -33.45 66.58 5.29 -32.69 2 0 1000.00 -999 ? >VAL^D 77 65.13 2.00 -30.92 63.75 1.68 -29.27 64.44 1.84 -30.10 3 0 1000.00 -999 ? >GLY^D 78 66.17 -0.62 -33.45 66.45 -0.83 -32.74 66.31 -0.72 -33.09 1 0 1000.00 -999 ? >CYH^D 79 67.75 -4.01 -34.03 65.52 -5.18 -35.23 66.63 -4.59 -34.63 2 0 1000.00 -999 ? >ASP.D 80 71.45 -5.53 -36.26 72.58 -6.15 -37.94 72.02 -5.84 -37.10 2 0 1000.00 -999 ? >GLY.D 81 68.54 -9.50 -35.96 68.06 -8.82 -35.63 68.30 -9.16 -35.80 1 0 1000.00 -999 ? >PRO.D 82 67.90 -11.84 -32.27 66.75 -10.46 -33.58 67.33 -11.15 -32.93 3 0 1000.00 -999 ? >VAL.D 83 64.66 -7.73 -30.96 63.78 -5.99 -31.90 64.22 -6.86 -31.43 3 0 1000.00 -999 ? >MET.D 84 62.99 -10.14 -28.57 66.61 -10.68 -26.52 64.80 -10.41 -27.54 2 0 1000.00 -999 ? >SER.D 85 60.41 -7.53 -27.53 61.60 -5.39 -27.52 61.01 -6.46 -27.53 2 0 1000.00 -999 ? >CYH.D 86 58.46 -7.49 -30.82 59.32 -4.87 -31.35 58.89 -6.18 -31.09 2 0 1000.00 -999 ? >VAL^D 87 56.72 -10.81 -31.44 57.10 -11.65 -29.48 56.91 -11.23 -30.46 3 0 1000.00 -999 ? >ILE^D 88 53.98 -13.06 -34.55 53.66 -12.81 -35.95 53.82 -12.94 -35.25 3 0 1000.00 -999 ? >VAL.D 89 52.47 -15.16 -30.47 52.35 -15.00 -28.30 52.41 -15.08 -29.39 3 0 1000.00 -999 ? >LEU.D 104 46.95 -5.67 -34.21 47.51 -6.17 -36.25 47.23 -5.92 -35.23 3 0 1000.00 -999 ? >GLY.D 105 48.25 -5.02 -29.68 48.09 -4.68 -30.45 48.17 -4.85 -30.07 1 0 1000.00 -999 ? >SER.D 106 46.95 -1.45 -29.44 45.83 -1.28 -27.30 46.39 -1.36 -28.37 2 0 1000.00 -999 ? >THR.D 107 50.21 0.03 -28.12 50.77 -1.06 -26.33 50.49 -0.51 -27.23 2 0 1000.00 -999 ? >SER.D 108 51.98 -0.59 -31.44 53.13 -2.03 -33.03 52.56 -1.31 -32.24 2 0 1000.00 -999 ? >ARG.D 109 49.48 3.20 -34.23 47.75 2.80 -31.73 48.61 3.00 -32.98 2 0 1000.00 -999 ? >THR~D 110 55.10 0.09 -36.42 56.94 1.20 -36.61 56.02 0.64 -36.52 2 0 1000.00 -999 ? >SER~D 111 55.60 -3.53 -35.35 57.09 -3.72 -33.43 56.34 -3.62 -34.39 2 0 1000.00 -999 ? >VAL~D 112 51.98 -4.34 -36.15 50.64 -3.01 -35.04 51.31 -3.68 -35.60 3 0 1000.00 -999 ? >ARG~D 113 51.43 -1.35 -42.06 51.71 -2.99 -44.64 51.57 -2.17 -43.35 2 0 1000.00 -999 ? >LEU~D 114 56.95 -4.95 -39.03 58.97 -5.55 -39.56 57.96 -5.25 -39.30 3 0 1000.00 -999 ? >ALA~D 115 53.82 -8.15 -39.00 53.08 -8.34 -37.69 53.45 -8.24 -38.34 2 0 1000.00 -999 ? >GLN~D 116 49.45 -5.88 -40.56 48.07 -4.28 -40.84 48.76 -5.08 -40.70 2 0 1000.00 -999 ? >LEU~D 117 55.18 -6.18 -44.06 56.31 -5.45 -45.74 55.74 -5.82 -44.90 3 0 1000.00 -999 ? >LEU~D 118 56.36 -10.74 -41.73 58.36 -10.36 -41.02 57.36 -10.55 -41.37 3 0 1000.00 -999 ? >LEU~D 119 51.72 -12.49 -41.30 52.10 -13.92 -39.74 51.91 -13.20 -40.52 3 0 1000.00 -999 ? >SER.D 120 51.26 -11.80 -46.15 51.89 -9.47 -46.35 51.58 -10.63 -46.25 2 0 1000.00 -999 ? >GLU.D 121 53.78 -9.60 -48.94 54.33 -8.01 -50.21 54.05 -8.81 -49.57 2 0 1000.00 -999 ? >ARG.D 122 59.41 -13.10 -44.95 61.15 -15.53 -45.68 60.28 -14.31 -45.31 2 0 1000.00 -999 ? >PRO.D 127 46.90 -12.94 -42.02 45.15 -12.01 -43.03 46.03 -12.48 -42.52 3 0 1000.00 -999 ? >ASP.D 128 40.47 -12.20 -40.40 38.65 -11.29 -39.84 39.56 -11.74 -40.12 2 0 1000.00 -999 ? >TYR.D 129 45.42 -8.25 -39.46 47.67 -9.57 -40.49 46.55 -8.91 -39.98 3 0 1000.00 -999 ? >TYR.D 130 40.69 -8.44 -33.79 41.21 -10.13 -31.62 40.95 -9.28 -32.71 3 0 1000.00 -999 ? >THR.D 131 43.01 -4.39 -32.89 44.06 -2.54 -33.28 43.54 -3.46 -33.08 2 0 1000.00 -999 ? >CYH.D 132 42.73 -4.65 -29.11 43.27 -7.42 -28.92 43.00 -6.03 -29.01 2 0 1000.00 -999 ? >PRO.D 133 42.50 -3.45 -24.99 44.12 -4.16 -26.33 43.31 -3.81 -25.66 3 0 1000.00 -999 ? >PRO.D 134 48.89 -3.52 -25.34 47.55 -5.22 -25.83 48.22 -4.37 -25.59 3 0 1000.00 -999 ? >ASP.D 135 45.79 -6.59 -21.76 46.25 -4.59 -21.21 46.02 -5.59 -21.48 2 0 1000.00 -999 ? >LEU.D 136 48.50 -11.78 -23.22 48.96 -13.61 -24.27 48.73 -12.69 -23.74 3 0 1000.00 -999 ? >SER.D 137 45.10 -13.84 -21.70 43.95 -14.11 -19.59 44.52 -13.98 -20.64 2 0 1000.00 -999 ? >LEU.D 138 42.08 -11.62 -24.47 41.25 -10.53 -22.80 41.67 -11.08 -23.63 3 0 1000.00 -999 ? >MET.D 139 43.10 -13.31 -28.33 44.65 -10.44 -31.03 43.88 -11.88 -29.68 2 0 1000.00 -999 ? >ALA.D 146 48.68 -11.98 -31.81 48.26 -12.06 -30.35 48.47 -12.02 -31.08 2 0 1000.00 -999 ? >VAL^D 147 51.27 -9.25 -32.38 51.76 -8.24 -34.25 51.51 -8.75 -33.32 3 0 1000.00 -999 ? >LEU^D 148 52.95 -8.83 -28.13 51.26 -9.48 -26.94 52.10 -9.16 -27.54 3 0 1000.00 -999 ? >ILE~D 149 55.56 -3.94 -28.98 54.90 -2.88 -29.63 55.23 -3.41 -29.30 3 0 1000.00 -999 ? >GLY~D 150 57.17 -3.99 -25.06 57.10 -4.73 -25.27 57.14 -4.36 -25.16 1 0 1000.00 -999 ? >ASP~D 151 56.60 -5.21 -20.44 57.89 -3.64 -19.83 57.24 -4.42 -20.13 2 0 1000.00 -999 ? >ALA~D 152 54.03 -7.98 -22.80 52.70 -7.45 -23.33 53.37 -7.71 -23.06 2 0 1000.00 -999 ? >ALA~D 153 55.91 -9.30 -25.83 56.34 -8.45 -27.02 56.13 -8.87 -26.42 2 0 1000.00 -999 ? >LEU~D 154 60.06 -9.04 -23.31 62.21 -9.20 -23.07 61.13 -9.12 -23.19 3 0 1000.00 -999 ? >ARG~D 155 55.72 -9.39 -18.51 55.50 -7.08 -16.49 55.61 -8.23 -17.50 2 0 1000.00 -999 ? >ALA~D 156 55.18 -13.94 -23.79 54.17 -13.40 -24.78 54.68 -13.67 -24.28 2 0 1000.00 -999 ? >ASN~D 157 59.37 -13.47 -26.14 61.00 -14.14 -27.35 60.18 -13.81 -26.74 2 0 1000.00 -999 ? >MET.D 158 59.53 -16.30 -22.51 63.05 -14.14 -22.60 61.29 -15.22 -22.56 2 0 1000.00 -999 ? >ASP.D 167 54.93 -21.15 -31.59 54.74 -23.24 -31.73 54.83 -22.19 -31.66 2 0 1000.00 -999 ? >VAL.D 168 56.49 -17.21 -30.49 56.70 -16.07 -28.63 56.60 -16.64 -29.56 3 0 1000.00 -999 ? >HIS^D 169 56.94 -16.94 -35.29 56.40 -18.86 -35.94 56.67 -17.90 -35.62 3 0 1000.00 -999 ? >ASP^D 170 62.02 -12.94 -33.35 63.03 -11.22 -32.62 62.52 -12.08 -32.99 2 0 1000.00 -999 ? >LEU~D 171 58.73 -8.56 -35.61 56.58 -8.42 -35.83 57.65 -8.49 -35.72 3 0 1000.00 -999 ? >GLY~D 172 63.22 -8.54 -35.85 62.96 -9.32 -36.03 63.09 -8.93 -35.94 1 0 1000.00 -999 ? >ALA~D 173 64.50 -12.00 -36.78 64.51 -13.18 -35.79 64.50 -12.59 -36.29 2 0 1000.00 -999 ? >LEU~D 174 60.41 -12.68 -39.33 59.36 -14.42 -38.56 59.89 -13.55 -38.94 3 0 1000.00 -999 ? >TRP~D 175 64.33 -6.23 -40.90 62.33 -4.40 -43.76 63.33 -5.32 -42.33 3 0 1000.00 -999 ? >LYS~D 176 66.30 -10.32 -40.84 71.31 -9.98 -39.13 68.81 -10.15 -39.98 2 0 1000.00 -999 ? >GLU~D 177 65.53 -15.42 -40.29 64.39 -16.81 -39.16 64.96 -16.11 -39.73 2 0 1000.00 -999 ? >TRP.D 178 61.60 -11.95 -47.21 59.69 -8.51 -47.25 60.65 -10.23 -47.23 3 0 1000.00 -999 ? >THR.D 179 65.77 -8.79 -46.46 65.53 -6.70 -45.95 65.65 -7.74 -46.20 2 0 1000.00 -999 ? >PRO.D 182 69.78 -2.20 -40.37 68.63 -4.10 -40.39 69.21 -3.15 -40.38 3 0 1000.00 -999 ? >PHE^D 183 62.79 -3.01 -38.36 60.20 -2.14 -39.00 61.49 -2.57 -38.68 3 0 1000.00 -999 ? >VAL^D 184 64.34 0.91 -36.58 65.38 2.80 -36.85 64.86 1.86 -36.71 3 0 1000.00 -999 ? >PHE^D 185 60.99 -1.76 -33.83 61.15 -4.44 -34.60 61.07 -3.10 -34.22 3 0 1000.00 -999 ? >ALA^D 186 61.13 4.16 -33.06 60.59 4.12 -31.63 60.86 4.14 -32.35 2 0 1000.00 -999 ? >VAL^D 187 63.07 7.41 -33.37 62.72 7.74 -35.48 62.89 7.58 -34.42 3 0 1000.00 -999 ? >TRP^D 188 63.88 10.44 -27.69 64.82 6.61 -27.80 64.35 8.52 -27.75 3 0 1000.00 -999 ? >ALA^D 189 62.13 13.74 -32.50 61.21 13.39 -33.67 61.67 13.57 -33.08 2 0 1000.00 -999 ? >ALA^D 190 61.23 17.30 -31.62 62.33 18.33 -31.46 61.78 17.81 -31.54 2 0 1000.00 -999 ? >ARG^D 191 55.10 19.52 -30.43 52.79 20.38 -32.28 53.94 19.95 -31.36 2 0 1000.00 -999 ? >ARG.D 192 59.51 21.37 -39.70 60.00 19.03 -41.62 59.76 20.20 -40.66 2 0 1000.00 -999 ? >PRO~D 199 64.51 27.52 -30.41 65.61 25.63 -29.97 65.06 26.57 -30.19 3 0 1000.00 -999 ? >VAL~D 200 69.15 25.74 -28.05 70.47 27.30 -27.31 69.81 26.52 -27.68 3 0 1000.00 -999 ? >ILE~D 201 65.80 23.98 -24.96 64.93 24.27 -23.83 65.36 24.13 -24.39 3 0 1000.00 -999 ? >THR~D 202 66.27 21.18 -28.36 64.92 21.25 -30.06 65.60 21.21 -29.21 2 0 1000.00 -999 ? >ARG~D 203 73.12 23.06 -29.99 72.55 25.97 -30.77 72.83 24.52 -30.38 2 0 1000.00 -999 ? >LYS~D 204 71.15 20.15 -25.62 69.27 24.25 -21.08 70.21 22.20 -23.35 2 0 1000.00 -999 ? >VAL~D 205 68.24 17.75 -25.05 66.06 17.82 -24.83 67.15 17.79 -24.94 3 0 1000.00 -999 ? >HIS~D 206 70.48 15.45 -30.40 71.47 14.30 -31.85 70.97 14.88 -31.13 3 0 1000.00 -999 ? >GLU~D 207 74.04 17.99 -27.75 75.22 19.73 -27.52 74.63 18.86 -27.64 2 0 1000.00 -999 ? >ALA~D 208 71.96 14.86 -23.22 70.95 15.64 -22.37 71.45 15.25 -22.80 2 0 1000.00 -999 ? >PHE~D 209 67.59 11.91 -25.31 64.97 11.73 -24.35 66.28 11.82 -24.83 3 0 1000.00 -999 ? >LEU~D 210 73.99 11.76 -27.63 73.50 11.94 -29.73 73.74 11.85 -28.68 3 0 1000.00 -999 ? >ALA~D 211 75.37 11.17 -23.49 75.64 12.45 -22.69 75.50 11.81 -23.09 2 0 1000.00 -999 ? >SER~D 212 72.76 9.24 -21.52 71.39 10.91 -20.43 72.08 10.08 -20.97 2 0 1000.00 -999 ? >ARG~D 213 73.39 4.84 -26.91 73.58 6.68 -29.37 73.49 5.76 -28.14 2 0 1000.00 -999 ? >ASN~D 214 77.33 7.22 -24.67 77.04 7.92 -26.66 77.19 7.57 -25.66 2 0 1000.00 -999 ? >LEU~D 215 76.24 6.79 -19.42 77.21 6.96 -17.49 76.72 6.87 -18.46 3 0 1000.00 -999 ? >SER~D 216 73.92 3.07 -20.47 72.44 3.46 -22.37 73.18 3.27 -21.42 2 0 1000.00 -999 ? >LEU~D 217 76.44 1.46 -24.34 75.31 1.85 -26.13 75.87 1.65 -25.23 3 0 1000.00 -999 ? >GLU~D 218 79.64 3.05 -19.79 81.13 4.55 -19.78 80.38 3.80 -19.79 2 0 1000.00 -999 ? >GLU~D 219 77.78 2.22 -16.24 77.30 3.82 -14.92 77.54 3.02 -15.58 2 0 1000.00 -999 ? >VAL~D 220 74.35 -2.18 -19.10 74.36 -3.68 -20.71 74.35 -2.93 -19.91 3 0 1000.00 -999 ? >GLU~D 221 77.75 -5.78 -17.43 78.25 -4.29 -18.84 78.00 -5.03 -18.13 2 0 1000.00 -999 ? >LYS~D 222 74.45 -2.52 -13.76 79.12 1.73 -12.76 76.79 -0.39 -13.26 2 0 1000.00 -999 ? >VAL~D 223 71.06 -1.75 -15.29 70.48 -0.38 -16.90 70.77 -1.06 -16.09 3 0 1000.00 -999 ? >ALA~D 224 70.42 -5.51 -15.56 71.27 -6.47 -16.40 70.85 -5.99 -15.98 2 0 1000.00 -999 ? >GLU~D 225 72.76 -6.46 -9.82 74.65 -6.08 -8.93 73.70 -6.27 -9.38 2 0 1000.00 -999 ? >GLN~D 226 68.29 -1.21 -10.22 68.67 0.86 -10.43 68.48 -0.18 -10.33 2 0 1000.00 -999 ? >ALA~D 227 66.27 -4.35 -12.90 66.31 -4.23 -14.42 66.29 -4.29 -13.66 2 0 1000.00 -999 ? >ALA~D 228 66.36 -8.07 -12.07 67.60 -8.97 -12.14 66.98 -8.52 -12.11 2 0 1000.00 -999 ? >ARG~D 229 68.00 -4.45 -7.17 70.47 -2.68 -6.77 69.24 -3.56 -6.97 2 0 1000.00 -999 ? >TRP.D 230 63.68 -3.17 -8.99 62.81 -3.36 -5.16 63.24 -3.26 -7.07 3 0 1000.00 -999 ? >GLU.D 231 62.26 -5.73 -14.45 60.50 -4.56 -14.43 61.38 -5.14 -14.44 2 0 1000.00 -999 ? >ALA.D 232 60.13 -11.14 -13.85 58.83 -11.47 -14.53 59.48 -11.30 -14.19 2 0 1000.00 -999 ? >PHE.D 233 62.29 -10.73 -18.13 60.03 -10.28 -19.73 61.16 -10.50 -18.93 3 0 1000.00 -999 ? >ASP~D 234 66.89 -14.52 -14.37 67.37 -15.25 -16.29 67.13 -14.88 -15.33 2 0 1000.00 -999 ? >GLU~D 235 71.43 -9.65 -13.65 72.92 -9.62 -12.17 72.18 -9.64 -12.91 2 0 1000.00 -999 ? >ASP~D 236 71.52 -14.13 -17.72 73.10 -14.44 -16.36 72.31 -14.29 -17.04 2 0 1000.00 -999 ? >THR~D 237 67.77 -12.43 -19.67 65.89 -13.48 -19.52 66.83 -12.95 -19.60 2 0 1000.00 -999 ? >LEU~D 238 67.39 -7.96 -17.86 65.46 -7.71 -16.95 66.42 -7.83 -17.41 3 0 1000.00 -999 ? >ALA~D 239 71.39 -8.28 -19.80 72.49 -8.99 -19.01 71.94 -8.63 -19.41 2 0 1000.00 -999 ? >LYS~D 240 70.93 -10.27 -23.01 68.96 -15.56 -25.95 69.95 -12.92 -24.48 2 0 1000.00 -999 ? >TYR~D 241 65.61 -7.07 -23.63 63.62 -5.37 -24.63 64.61 -6.22 -24.13 3 0 1000.00 -999 ? >PHE~D 242 68.98 -4.12 -20.92 67.00 -3.92 -18.95 67.99 -4.02 -19.94 3 0 1000.00 -999 ? >THR~D 243 72.64 -5.75 -25.29 73.76 -7.11 -24.02 73.20 -6.43 -24.65 2 0 1000.00 -999 ? >THR~D 244 70.49 -7.19 -28.09 69.30 -8.99 -28.30 69.90 -8.09 -28.19 2 0 1000.00 -999 ? >LEU~D 245 68.04 -3.00 -27.61 65.99 -3.13 -26.96 67.02 -3.06 -27.29 3 0 1000.00 -999 ? >ASP.D 246 70.60 -2.11 -32.63 72.25 -1.31 -33.67 71.42 -1.71 -33.15 2 0 1000.00 -999 ? >PHE.D 247 69.33 2.12 -28.01 67.28 1.19 -26.37 68.30 1.65 -27.19 3 0 1000.00 -999 ? >ARG.D 248 75.45 1.51 -34.14 75.71 -1.32 -35.27 75.58 0.10 -34.71 2 0 1000.00 -999 ? >PHE.D 249 68.65 6.98 -36.32 66.66 7.63 -38.19 67.66 7.30 -37.26 3 0 1000.00 -999 ? >GLY~D 250 73.32 6.50 -38.72 72.71 5.94 -38.93 73.01 6.22 -38.82 1 0 1000.00 -999 ? >ALA~D 251 73.71 5.06 -42.23 75.02 5.08 -43.00 74.37 5.07 -42.61 2 0 1000.00 -999 ? >PRO~D 252 75.30 1.21 -41.01 73.33 2.00 -41.68 74.32 1.61 -41.34 3 0 1000.00 -999 ? >GLN~D 253 70.70 2.07 -37.37 72.78 2.13 -37.77 71.74 2.10 -37.57 2 0 1000.00 -999 ? >LEU~D 254 69.27 6.40 -42.21 68.40 8.28 -42.80 68.84 7.34 -42.50 3 0 1000.00 -999 ? >GLU~D 255 70.17 0.83 -46.16 72.01 -0.15 -46.44 71.09 0.34 -46.30 2 0 1000.00 -999 ? >ALA~D 256 66.59 0.07 -43.09 66.89 -0.64 -41.77 66.74 -0.28 -42.43 2 0 1000.00 -999 ? >VAL~D 257 63.99 2.82 -42.71 63.75 4.45 -41.27 63.87 3.63 -41.99 3 0 1000.00 -999 ? >THR~D 258 63.90 3.76 -46.40 65.89 4.39 -46.97 64.90 4.08 -46.69 2 0 1000.00 -999 ? >GLU~D 259 64.33 -2.02 -48.22 63.89 -1.10 -50.08 64.11 -1.56 -49.15 2 0 1000.00 -999 ? >PHE~D 260 59.36 -0.42 -42.47 56.92 -0.81 -41.13 58.14 -0.61 -41.80 3 0 1000.00 -999 ? >ALA~D 261 58.99 2.83 -45.88 59.67 4.20 -45.83 59.33 3.51 -45.86 2 0 1000.00 -999 ? >ARG~D 262 61.81 2.39 -52.29 60.80 3.12 -55.10 61.31 2.75 -53.70 2 0 1000.00 -999 ? >ARG~D 263 59.63 -4.65 -48.05 62.22 -5.09 -49.65 60.92 -4.87 -48.85 2 0 1000.00 -999 ? >VAL~D 264 54.56 -0.04 -46.79 55.27 -0.48 -44.78 54.92 -0.26 -45.78 3 0 1000.00 -999 ? >GLY~D 265 54.29 3.69 -47.53 53.86 3.10 -47.77 54.08 3.39 -47.65 1 0 1000.00 -999 ? >PRO~D 266 52.67 1.52 -50.94 52.13 3.34 -49.79 52.40 2.43 -50.37 3 0 1000.00 -999 ? >THR~D 267 49.33 1.12 -48.04 50.01 -0.85 -48.53 49.67 0.14 -48.29 2 0 1000.00 -999 ? >THR~D 268 50.24 2.83 -44.76 51.63 1.67 -43.57 50.94 2.25 -44.16 2 0 1000.00 -999 ? >GLY~D 269 49.43 6.49 -45.33 50.09 6.29 -45.52 49.76 6.39 -45.42 1 0 1000.00 -999 ? >PHE.D 270 54.31 6.97 -44.70 55.52 4.56 -43.98 54.91 5.77 -44.34 3 0 1000.00 -999 ? >PRO.D 271 54.38 11.00 -49.10 54.42 8.79 -48.90 54.40 9.89 -49.00 3 0 1000.00 -999 ? >ALA.D 272 57.03 5.81 -50.48 56.89 4.98 -51.74 56.96 5.40 -51.11 2 0 1000.00 -999 ? >ASP.D 273 60.24 8.84 -52.01 59.07 10.43 -52.77 59.66 9.63 -52.39 2 0 1000.00 -999 ? >VAL.D 274 58.98 10.59 -47.59 58.26 10.22 -45.57 58.62 10.40 -46.58 3 0 1000.00 -999 ? >LYS.D 275 62.02 12.50 -46.31 66.50 13.51 -45.21 64.26 13.01 -45.76 2 0 1000.00 -999 ? >VAL.D 276 63.30 12.05 -42.74 63.63 10.25 -41.56 63.46 11.15 -42.15 3 0 1000.00 -999 ? >GLU.D 277 64.42 18.07 -41.65 63.15 19.75 -41.78 63.78 18.91 -41.72 2 0 1000.00 -999 ? >LEU.D 278 68.71 14.20 -39.64 68.89 12.05 -39.63 68.80 13.12 -39.63 3 0 1000.00 -999 ? >LEU.D 279 68.15 17.46 -35.21 67.67 19.02 -33.78 67.91 18.24 -34.50 3 0 1000.00 -999 ? >LYS.D 280 71.06 19.95 -37.88 68.30 19.43 -41.96 69.68 19.69 -39.92 2 0 1000.00 -999 ?