REMARK SOURCE hebe.pdb HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 10-MAY-06 2GZ4 COMPND HYPOTHETICAL PROTEIN ATU1052; COMPND 3 CHAIN: A, B, C, D; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: AGROBACTERIUM TUMEFACIENS; SOURCE 3 ORGANISM_TAXID: 176299; SOURCE 4 STRAIN: STR. C58; SOURCE 5 GENE: GI:17934959; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3); SOURCE 7 EXPRESSION_SYSTEM_TAXID: 469008; SOURCE 8 EXPRESSION_SYSTEM_STRAIN: BL21(DE3); SOURCE 9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 10 EXPRESSION_SYSTEM_PLASMID: PET15B AUTHOR R.ZHANG,X.XU,H.ZHENG,A.SAVCHENKO,A.EDWARDS,A.JOACHIMIAK,MIDWEST AUTHOR 2 CENTER FOR STRUCTURAL GENOMICS (MCSG) >SER.A 6 5.61 59.54 25.14 3.33 60.28 25.56 4.47 59.91 25.35 2 0 1000.00 -999 ? >PRO.A 7 7.21 55.47 25.83 7.30 57.07 24.27 7.26 56.27 25.05 3 0 1000.00 -999 ? >ARG.A 8 7.73 56.25 16.74 9.96 54.93 15.07 8.84 55.59 15.90 2 0 1000.00 -999 ? >ALA.A 9 5.51 51.74 20.14 4.24 51.49 20.95 4.87 51.62 20.55 2 0 1000.00 -999 ? >TRP^A 10 3.20 53.77 15.08 0.55 54.28 17.93 1.88 54.03 16.51 3 0 1000.00 -999 ? >GLN^A 11 8.26 52.04 11.05 10.02 51.11 10.33 9.14 51.57 10.69 2 0 1000.00 -999 ? >ARG^A 12 1.35 55.25 10.02 -0.95 54.71 11.97 0.20 54.98 10.99 2 0 1000.00 -999 ? >MET.A 13 4.65 53.10 6.95 6.39 50.23 7.49 5.52 51.67 7.22 2 0 1000.00 -999 ? >LEU.A 14 5.40 55.56 2.80 7.24 56.68 3.00 6.32 56.12 2.90 3 0 1000.00 -999 ? >SER.A 15 1.39 53.32 2.86 1.79 51.19 3.85 1.59 52.26 3.35 2 0 1000.00 -999 ? >GLY.A 16 -0.50 54.27 6.01 -0.04 53.62 6.07 -0.27 53.95 6.04 1 0 1000.00 -999 ? >ARG.A 17 0.55 47.89 5.89 -0.01 48.59 2.90 0.27 48.24 4.39 2 0 1000.00 -999 ? >ARG^A 18 0.27 52.19 14.15 -1.05 50.76 16.57 -0.39 51.47 15.36 2 0 1000.00 -999 ? >LEU^A 19 4.84 47.01 11.88 5.24 44.87 11.76 5.04 45.94 11.82 3 0 1000.00 -999 ? >ASP^A 20 2.93 46.44 17.24 3.08 46.75 19.32 3.00 46.60 18.28 2 0 1000.00 -999 ? >LEU.A 21 8.44 48.28 17.88 9.03 49.98 16.64 8.74 49.13 17.26 3 0 1000.00 -999 ? >LEU.A 22 7.45 45.20 21.67 9.04 46.44 22.49 8.24 45.82 22.08 3 0 1000.00 -999 ? >ASP.A 23 3.28 42.63 20.32 2.16 40.82 20.29 2.72 41.72 20.30 2 0 1000.00 -999 ? >PRO.A 24 6.39 41.72 15.55 4.45 42.66 16.17 5.42 42.19 15.86 3 0 1000.00 -999 ? >SER~A 25 1.16 41.31 13.74 -1.13 41.22 12.98 0.02 41.26 13.36 2 0 1000.00 -999 ? >PRO~A 26 1.29 37.40 11.72 1.47 39.57 11.15 1.38 38.49 11.43 3 0 1000.00 -999 ? >LEU~A 27 -2.89 41.10 9.71 -3.96 39.19 9.55 -3.42 40.15 9.63 3 0 1000.00 -999 ? >ASP~A 28 0.72 45.31 10.53 -0.94 45.88 11.70 -0.11 45.59 11.11 2 0 1000.00 -999 ? >VAL~A 29 3.17 43.34 7.00 4.76 41.93 7.51 3.96 42.63 7.26 3 0 1000.00 -999 ? >GLU~A 30 0.84 45.24 3.49 -0.29 43.56 2.85 0.28 44.40 3.17 2 0 1000.00 -999 ? >ILE~A 31 5.99 42.47 -0.30 6.65 42.13 -0.54 6.32 42.30 -0.42 3 0 1000.00 -999 ? >ALA~A 32 5.74 47.10 -0.67 4.51 47.83 -1.11 5.12 47.47 -0.89 2 0 1000.00 -999 ? >ASP~A 33 5.81 48.30 4.06 3.81 49.03 3.98 4.81 48.66 4.02 2 0 1000.00 -999 ? >ILE~A 34 9.37 44.48 3.19 9.47 43.17 3.74 9.42 43.83 3.47 3 0 1000.00 -999 ? >ALA~A 35 10.90 46.69 -0.30 10.19 46.43 -1.62 10.54 46.56 -0.96 2 0 1000.00 -999 ? >HIS~A 36 9.82 52.76 0.38 10.14 54.81 0.02 9.98 53.79 0.20 3 0 1000.00 -999 ? >GLY~A 37 12.70 50.35 3.41 12.89 49.89 2.75 12.80 50.12 3.08 1 0 1000.00 -999 ? >LEU~A 38 14.95 46.14 2.18 14.67 44.63 3.69 14.81 45.39 2.93 3 0 1000.00 -999 ? >ALA~A 39 16.10 49.54 -0.64 15.15 49.76 -1.81 15.63 49.65 -1.23 2 0 1000.00 -999 ? >ARG.A 40 14.17 54.67 0.76 12.83 54.17 -1.96 13.50 54.42 -0.60 2 0 1000.00 -999 ? >VAL.A 41 18.81 50.75 4.56 17.98 49.76 6.31 18.39 50.25 5.43 3 0 1000.00 -999 ? >ALA.A 42 22.57 50.39 4.04 23.48 51.58 4.13 23.03 50.99 4.08 2 0 1000.00 -999 ? >ARG~A 43 23.64 44.10 3.71 25.28 41.89 5.17 24.46 42.99 4.44 2 0 1000.00 -999 ? >TRP~A 44 28.47 45.86 3.48 30.56 43.19 5.46 29.51 44.52 4.47 3 0 1000.00 -999 ? >ASN~A 45 28.38 51.21 9.33 27.89 49.93 10.95 28.13 50.57 10.14 2 0 1000.00 -999 ? >GLY~A 46 27.71 52.81 4.74 28.32 52.39 5.06 28.02 52.60 4.90 1 0 1000.00 -999 ? >GLN~A 47 33.79 52.08 5.73 34.23 54.18 5.81 34.01 53.13 5.77 2 0 1000.00 -999 ? >THR.A 48 31.27 51.02 0.94 29.26 50.29 1.25 30.27 50.65 1.10 2 0 1000.00 -999 ? >ARG.A 49 36.12 50.16 -3.20 37.78 48.22 -1.39 36.95 49.19 -2.30 2 0 1000.00 -999 ? >GLY.A 50 30.27 53.49 -4.86 30.45 53.99 -4.21 30.36 53.74 -4.53 1 0 1000.00 -999 ? >ASP.A 51 27.74 57.26 -6.56 29.32 58.28 -7.53 28.53 57.77 -7.05 2 0 1000.00 -999 ? >HIS.A 52 23.86 54.93 -5.96 23.30 56.34 -7.41 23.58 55.63 -6.68 3 0 1000.00 -999 ? >ALA.A 53 24.84 52.83 -0.55 23.88 53.18 0.60 24.36 53.01 0.02 2 0 1000.00 -999 ? >PHE.A 54 25.79 46.75 -0.99 25.20 44.09 -1.63 25.50 45.42 -1.31 3 0 1000.00 -999 ? >THR~A 55 21.33 48.30 0.43 20.06 49.16 -1.09 20.69 48.73 -0.33 2 0 1000.00 -999 ? >VAL~A 56 19.85 45.41 2.36 19.18 45.18 4.44 19.52 45.30 3.40 3 0 1000.00 -999 ? >ALA~A 57 17.48 44.80 -0.59 16.63 45.82 -1.30 17.06 45.31 -0.95 2 0 1000.00 -999 ? >GLN~A 58 22.37 44.75 -4.45 23.58 46.19 -5.42 22.98 45.47 -4.93 2 0 1000.00 -999 ? >HIS~A 59 22.81 41.24 2.06 23.62 39.67 3.19 23.22 40.45 2.62 3 0 1000.00 -999 ? >CYH~A 60 18.88 39.90 -0.10 17.25 40.92 1.96 18.07 40.41 0.93 2 0 1000.00 -999 ? >LEU~A 61 18.87 40.54 -4.92 17.13 41.53 -5.68 18.00 41.04 -5.30 3 0 1000.00 -999 ? >ILE~A 62 23.80 39.05 -3.38 25.11 39.67 -3.64 24.45 39.36 -3.51 3 0 1000.00 -999 ? >VAL~A 63 21.81 35.93 -0.88 21.65 36.10 1.30 21.73 36.01 0.21 3 0 1000.00 -999 ? >GLU~A 64 16.41 33.92 -3.28 16.26 33.50 -5.33 16.34 33.71 -4.30 2 0 1000.00 -999 ? >THR~A 65 20.92 33.76 -5.79 21.39 34.95 -7.54 21.15 34.36 -6.66 2 0 1000.00 -999 ? >ILE~A 66 24.75 33.03 -2.83 25.99 33.54 -2.37 25.37 33.28 -2.60 3 0 1000.00 -999 ? >PHE~A 67 19.29 29.64 -0.55 17.55 27.67 0.42 18.42 28.65 -0.06 3 0 1000.00 -999 ? >CYH~A 68 19.93 28.68 -5.04 17.53 29.94 -5.66 18.73 29.31 -5.35 2 0 1000.00 -999 ? >ARG~A 69 25.55 27.47 -8.55 26.18 28.94 -11.19 25.87 28.20 -9.87 2 0 1000.00 -999 ? >MET~A 70 24.49 26.24 -3.11 26.32 28.91 -0.32 25.41 27.57 -1.71 2 0 1000.00 -999 ? >CYH~A 71 21.14 24.41 -2.84 21.31 25.37 -0.22 21.23 24.89 -1.53 2 0 1000.00 -999 ? >PRO.A 72 22.06 22.00 -6.29 20.35 23.31 -5.67 21.20 22.66 -5.98 3 0 1000.00 -999 ? >GLY.A 73 17.19 21.17 -4.61 17.35 21.93 -4.35 17.27 21.55 -4.48 1 0 1000.00 -999 ? >ALA.A 74 15.73 24.21 -2.83 16.33 25.60 -2.76 16.03 24.90 -2.80 2 0 1000.00 -999 ? >THR~A 75 11.95 24.55 -2.95 11.19 23.60 -1.17 11.57 24.07 -2.06 2 0 1000.00 -999 ? >PRO~A 76 9.19 26.65 -5.55 10.41 27.17 -3.76 9.80 26.91 -4.66 3 0 1000.00 -999 ? >ASP~A 77 8.46 27.32 0.81 6.36 27.19 0.50 7.41 27.25 0.66 2 0 1000.00 -999 ? >GLU~A 78 13.23 25.64 1.59 14.15 23.75 1.24 13.69 24.70 1.42 2 0 1000.00 -999 ? >MET~A 79 13.88 30.55 -1.87 13.49 29.32 -5.89 13.68 29.94 -3.88 2 0 1000.00 -999 ? >GLN~A 80 9.12 34.19 -0.37 9.33 35.40 -2.10 9.22 34.80 -1.23 2 0 1000.00 -999 ? >MET~A 81 12.69 32.49 3.13 10.82 29.60 5.66 11.75 31.04 4.39 2 0 1000.00 -999 ? >ALA~A 82 16.19 33.22 1.76 16.94 32.45 0.67 16.57 32.83 1.22 2 0 1000.00 -999 ? >LEU~A 83 14.13 36.56 -1.09 13.98 38.17 -2.55 14.05 37.36 -1.82 3 0 1000.00 -999 ? >LEU~A 84 11.67 37.06 3.33 10.06 37.86 2.05 10.86 37.46 2.69 3 0 1000.00 -999 ? >HIS.A 85 17.67 35.49 6.94 18.55 35.14 8.81 18.11 35.32 7.87 3 0 1000.00 -999 ? >ASP.A 86 17.96 40.77 5.69 19.75 39.80 6.27 18.86 40.28 5.98 2 0 1000.00 -999 ? >ALA.A 87 13.19 41.57 5.91 11.93 40.81 5.49 12.56 41.19 5.70 2 0 1000.00 -999 ? >PRO~A 88 13.07 40.08 10.08 13.01 42.04 9.03 13.04 41.06 9.56 3 0 1000.00 -999 ? >GLU~A 89 17.76 43.89 8.80 19.72 44.02 8.07 18.74 43.95 8.43 2 0 1000.00 -999 ? >TYR~A 90 10.31 46.52 6.97 7.69 45.74 7.59 9.00 46.13 7.28 3 0 1000.00 -999 ? >VAL~A 91 11.68 47.82 11.20 9.67 47.40 11.96 10.67 47.61 11.58 3 0 1000.00 -999 ? >ILE~A 92 14.94 45.52 13.92 15.61 44.46 14.48 15.28 44.99 14.20 3 0 1000.00 -999 ? >GLY~A 93 17.42 48.42 11.06 17.36 47.60 11.23 17.39 48.01 11.14 1 0 1000.00 -999 ? >ASP.A 94 21.45 47.37 8.75 22.86 45.91 8.21 22.15 46.64 8.48 2 0 1000.00 -999 ? >MET.A 95 23.42 46.22 12.73 23.23 45.64 16.93 23.33 45.93 14.83 2 0 1000.00 -999 ? >ILE~A 96 28.14 45.35 11.70 29.06 46.36 11.71 28.60 45.85 11.70 3 0 1000.00 -999 ? >SER~A 97 27.27 41.10 13.21 27.03 39.79 11.18 27.15 40.44 12.20 2 0 1000.00 -999 ? >PRO~A 98 31.32 42.67 14.05 29.57 41.88 15.19 30.44 42.27 14.62 3 0 1000.00 -999 ? >PHE~A 99 28.07 46.35 17.45 30.17 48.18 17.44 29.12 47.26 17.45 3 0 1000.00 -999 ? >LYS~A 100 24.93 41.03 18.01 22.49 41.29 12.93 23.71 41.16 15.47 2 0 1000.00 -999 ? >SER~A 101 26.90 39.63 21.01 28.16 37.82 20.00 27.53 38.72 20.51 2 0 1000.00 -999 ? >VAL~A 102 26.69 43.06 22.68 28.31 44.53 22.33 27.50 43.80 22.50 3 0 1000.00 -999 ? >VAL.A 103 23.00 43.89 22.02 21.64 43.64 20.30 22.32 43.76 21.16 3 0 1000.00 -999 ? >GLY~A 104 21.07 41.67 24.50 20.94 41.51 23.73 21.01 41.59 24.11 1 0 1000.00 -999 ? >GLY~A 105 18.30 39.06 24.50 18.17 39.84 24.46 18.23 39.45 24.48 1 0 1000.00 -999 ? >GLY~A 106 15.48 41.60 24.15 16.07 41.40 23.60 15.77 41.50 23.88 1 0 1000.00 -999 ? >TYR~A 107 18.46 43.58 19.03 19.07 44.44 16.45 18.76 44.01 17.74 3 0 1000.00 -999 ? >LYS~A 108 17.08 38.93 19.61 22.65 37.25 20.24 19.86 38.09 19.92 2 0 1000.00 -999 ? >THR~A 109 13.50 38.27 20.78 12.59 37.85 22.71 13.05 38.06 21.74 2 0 1000.00 -999 ? >VAL~A 110 12.23 41.24 18.71 12.18 43.44 18.93 12.21 42.34 18.82 3 0 1000.00 -999 ? >GLU~A 111 16.56 40.60 15.38 18.52 39.80 15.22 17.54 40.20 15.30 2 0 1000.00 -999 ? >LYS~A 112 12.54 36.51 16.01 13.19 32.13 19.41 12.87 34.32 17.71 2 0 1000.00 -999 ? >ARG~A 113 7.71 39.16 19.86 6.02 39.13 22.45 6.86 39.14 21.15 2 0 1000.00 -999 ? >LEU~A 114 10.54 41.13 13.11 10.25 43.25 13.64 10.40 42.19 13.37 3 0 1000.00 -999 ? >GLU~A 115 11.75 34.58 10.85 12.99 32.95 11.48 12.37 33.76 11.17 2 0 1000.00 -999 ? >ALA~A 116 7.48 35.16 12.43 7.05 34.81 13.85 7.26 34.98 13.14 2 0 1000.00 -999 ? >ALA~A 117 5.30 38.13 11.47 5.39 39.54 12.05 5.34 38.84 11.76 2 0 1000.00 -999 ? >VAL~A 118 6.89 38.38 8.03 8.64 39.42 7.19 7.77 38.90 7.61 3 0 1000.00 -999 ? >HIS~A 119 8.96 33.52 7.91 11.00 33.22 7.55 9.98 33.37 7.73 3 0 1000.00 -999 ? >LEU~A 120 2.66 34.43 10.02 2.65 32.86 11.51 2.65 33.64 10.77 3 0 1000.00 -999 ? >ARG~A 121 0.83 39.67 5.08 -0.17 39.59 2.17 0.33 39.63 3.62 2 0 1000.00 -999 ? >PHE~A 122 4.74 37.05 2.58 4.93 39.81 2.43 4.83 38.43 2.51 3 0 1000.00 -999 ? >GLY.A 123 2.06 31.71 4.40 2.84 31.95 4.45 2.45 31.83 4.43 1 0 1000.00 -999 ? >LEU.A 124 6.76 31.32 5.00 7.55 31.72 3.03 7.15 31.52 4.02 3 0 1000.00 -999 ? >PRO.A 125 7.74 27.09 7.00 6.47 28.77 7.78 7.11 27.93 7.39 3 0 1000.00 -999 ? >PRO.A 126 5.81 29.53 12.67 6.75 30.53 10.89 6.28 30.03 11.78 3 0 1000.00 -999 ? >HIS.A 127 10.55 30.94 13.97 9.79 32.38 15.28 10.17 31.66 14.63 3 0 1000.00 -999 ? >ALA.A 128 12.96 28.39 9.20 14.19 28.98 8.53 13.57 28.69 8.87 2 0 1000.00 -999 ? >SER~A 129 13.88 24.87 10.21 14.55 23.70 8.20 14.22 24.29 9.21 2 0 1000.00 -999 ? >ARG~A 130 19.27 22.74 14.70 19.74 24.85 16.88 19.50 23.79 15.79 2 0 1000.00 -999 ? >GLU~A 131 18.92 21.22 7.04 17.78 21.46 5.30 18.35 21.34 6.17 2 0 1000.00 -999 ? >LEU~A 132 15.72 26.03 6.10 15.04 27.26 4.41 15.38 26.65 5.25 3 0 1000.00 -999 ? >LYS~A 133 18.47 28.44 8.69 19.11 32.02 12.97 18.79 30.23 10.83 2 0 1000.00 -999 ? >ASP~A 134 22.23 25.45 8.85 24.20 24.85 8.51 23.22 25.15 8.68 2 0 1000.00 -999 ? >ARG~A 135 20.17 23.84 2.90 17.10 23.67 2.50 18.63 23.76 2.70 2 0 1000.00 -999 ? >ILE~A 136 19.20 31.06 4.98 17.92 31.66 4.87 18.56 31.36 4.92 3 0 1000.00 -999 ? >LYS~A 137 23.25 31.57 6.89 25.21 35.40 10.15 24.23 33.48 8.52 2 0 1000.00 -999 ? >LYS~A 138 25.93 29.91 4.74 26.53 25.31 7.47 26.23 27.61 6.11 2 0 1000.00 -999 ? >ALA~A 139 24.65 31.84 1.70 23.27 31.69 1.05 23.96 31.77 1.38 2 0 1000.00 -999 ? >ASP~A 140 23.78 35.28 4.99 23.84 37.25 5.66 23.81 36.27 5.32 2 0 1000.00 -999 ? >THR~A 141 28.19 34.55 4.78 29.00 33.50 6.47 28.60 34.03 5.62 2 0 1000.00 -999 ? >VAL~A 142 29.35 34.00 1.19 29.42 32.31 -0.22 29.38 33.16 0.48 3 0 1000.00 -999 ? >ALA~A 143 27.53 37.19 0.18 26.05 37.50 0.33 26.79 37.35 0.25 2 0 1000.00 -999 ? >ALA~A 144 29.32 38.95 3.06 29.22 38.56 4.52 29.27 38.75 3.79 2 0 1000.00 -999 ? >PHE~A 145 34.48 36.16 0.86 37.04 35.98 -0.21 35.76 36.07 0.33 3 0 1000.00 -999 ? >PHE~A 146 31.73 37.38 -3.28 32.74 35.01 -4.32 32.23 36.19 -3.80 3 0 1000.00 -999 ? >GLU~A 147 28.19 42.16 -0.15 26.51 41.95 1.11 27.35 42.06 0.48 2 0 1000.00 -999 ? >ALA~A 148 33.51 42.81 2.30 33.88 41.81 3.37 33.69 42.31 2.84 2 0 1000.00 -999 ? >THR~A 149 36.24 42.51 -0.29 36.45 40.38 -0.61 36.35 41.45 -0.45 2 0 1000.00 -999 ? >GLU~A 150 34.00 42.32 -4.73 35.60 42.36 -6.11 34.80 42.34 -5.42 2 0 1000.00 -999 ? >LEU~A 151 31.36 46.88 -1.21 29.98 46.62 -2.85 30.67 46.75 -2.03 3 0 1000.00 -999 ? >ALA.A 152 33.77 47.46 2.24 32.94 46.64 3.24 33.36 47.05 2.74 2 0 1000.00 -999 ? >GLY.A 153 37.55 47.71 2.13 37.26 47.01 2.32 37.40 47.36 2.23 1 0 1000.00 -999 ? >PHE.A 154 36.76 43.91 5.46 35.38 44.96 7.67 36.07 44.43 6.57 3 0 1000.00 -999 ? >SER~A 155 41.48 42.42 2.38 42.82 41.49 4.16 42.15 41.96 3.27 2 0 1000.00 -999 ? >THR~A 156 41.13 38.85 1.17 42.33 38.59 -0.60 41.73 38.72 0.28 2 0 1000.00 -999 ? >ALA~A 157 42.88 37.76 4.36 44.29 38.14 4.83 43.59 37.95 4.60 2 0 1000.00 -999 ? >GLU~A 158 41.27 41.99 7.20 41.01 44.07 6.99 41.14 43.03 7.10 2 0 1000.00 -999 ? >ALA~A 159 37.40 38.39 4.63 37.02 38.74 3.21 37.21 38.56 3.92 2 0 1000.00 -999 ? >GLN~A 160 40.26 32.80 4.45 41.76 31.86 3.28 41.01 32.33 3.86 2 0 1000.00 -999 ? >LYS~A 161 39.22 35.06 8.48 42.76 32.56 11.46 40.99 33.81 9.97 2 0 1000.00 -999 ? >PHE~A 162 36.50 38.90 9.67 38.44 40.61 10.72 37.47 39.76 10.20 3 0 1000.00 -999 ? >PHE~A 163 32.88 37.08 6.07 32.45 39.62 7.11 32.67 38.35 6.59 3 0 1000.00 -999 ? >GLY~A 164 35.65 31.85 5.14 35.49 32.57 4.76 35.57 32.21 4.95 1 0 1000.00 -999 ? >LEU.A 165 38.05 30.70 1.16 39.34 31.32 -0.45 38.69 31.01 0.36 3 0 1000.00 -999 ? >PRO.A 166 33.49 33.06 -0.92 34.26 31.02 -0.33 33.88 32.04 -0.62 3 0 1000.00 -999 ? >ARG.A 167 34.24 23.63 -1.39 33.30 21.22 -3.07 33.77 22.43 -2.23 2 0 1000.00 -999 ? >GLY.A 168 32.25 27.14 -5.98 32.21 27.80 -5.56 32.23 27.47 -5.77 1 0 1000.00 -999 ? >ILE.A 169 29.90 31.10 -4.57 28.49 30.92 -4.87 29.19 31.01 -4.72 3 0 1000.00 -999 ? >THR~A 170 32.06 33.33 -8.09 32.51 32.12 -9.80 32.28 32.72 -8.94 2 0 1000.00 -999 ? >ARG~A 171 32.46 40.08 -9.79 30.60 42.54 -9.73 31.53 41.31 -9.76 2 0 1000.00 -999 ? >ASP~A 172 30.68 36.04 -13.17 31.02 33.96 -12.92 30.85 35.00 -13.05 2 0 1000.00 -999 ? >MET~A 173 26.92 34.93 -10.51 27.98 31.25 -8.72 27.45 33.09 -9.61 2 0 1000.00 -999 ? >PHE~A 174 26.42 37.59 -6.85 28.78 37.09 -5.49 27.60 37.34 -6.17 3 0 1000.00 -999 ? >ASP.A 175 24.24 42.58 -9.69 23.64 41.63 -11.48 23.94 42.10 -10.58 2 0 1000.00 -999 ? >ILE.A 176 29.00 42.84 -6.04 29.38 42.76 -5.28 29.19 42.80 -5.66 3 0 1000.00 -999 ? >ILE.A 177 28.54 47.70 -8.90 29.47 48.39 -9.78 29.01 48.05 -9.34 3 0 1000.00 -999 ? >PRO.A 178 27.62 49.73 -4.03 26.34 48.95 -5.70 26.98 49.34 -4.86 3 0 1000.00 -999 ? >LEU.A 179 21.35 48.92 -7.35 21.41 47.43 -8.93 21.38 48.17 -8.14 3 0 1000.00 -999 ? >PRO~A 180 21.03 53.77 -8.68 20.80 52.64 -6.77 20.91 53.20 -7.72 3 0 1000.00 -999 ? >SER~A 181 17.40 52.74 -4.12 17.89 53.98 -2.12 17.64 53.36 -3.12 2 0 1000.00 -999 ? >THR~A 182 14.78 52.90 -6.86 14.90 54.83 -7.78 14.84 53.87 -7.32 2 0 1000.00 -999 ? >GLU~A 183 17.99 49.01 -10.60 16.53 48.44 -12.05 17.26 48.72 -11.32 2 0 1000.00 -999 ? >ALA~A 184 17.18 47.86 -5.81 18.00 48.24 -4.57 17.59 48.05 -5.19 2 0 1000.00 -999 ? >GLN~A 185 11.39 49.46 -4.06 10.48 51.30 -3.53 10.94 50.38 -3.79 2 0 1000.00 -999 ? >ARG~A 186 12.32 48.22 -12.08 13.91 46.09 -13.64 13.11 47.15 -12.86 2 0 1000.00 -999 ? >LEU~A 187 16.04 44.26 -8.61 17.14 44.49 -10.46 16.59 44.37 -9.54 3 0 1000.00 -999 ? >PHE~A 188 13.44 43.18 -2.46 12.64 41.89 -0.14 13.04 42.53 -1.30 3 0 1000.00 -999 ? >ILE~A 189 9.03 44.50 -6.02 8.05 45.44 -5.74 8.54 44.97 -5.88 3 0 1000.00 -999 ? >ALA~A 190 10.38 41.49 -9.07 11.25 41.97 -10.23 10.81 41.73 -9.65 2 0 1000.00 -999 ? >ARG~A 191 14.20 36.27 -7.85 14.06 33.24 -8.42 14.13 34.75 -8.14 2 0 1000.00 -999 ? >PHE~A 192 8.02 39.11 -2.90 5.75 38.46 -1.44 6.88 38.79 -2.17 3 0 1000.00 -999 ? >GLU~A 193 5.81 40.40 -7.33 5.26 42.03 -8.54 5.53 41.22 -7.94 2 0 1000.00 -999 ? >ALA~A 194 8.78 35.58 -9.35 10.16 35.75 -9.96 9.47 35.66 -9.66 2 0 1000.00 -999 ? >ILE~A 195 10.15 33.56 -5.11 11.26 33.35 -4.28 10.70 33.46 -4.70 3 0 1000.00 -999 ? >GLU~A 196 5.12 35.76 -3.90 4.52 34.59 -2.26 4.82 35.17 -3.08 2 0 1000.00 -999 ? >THR~A 197 4.68 32.42 -8.84 4.52 33.28 -10.81 4.60 32.85 -9.82 2 0 1000.00 -999 ? >LEU~A 198 8.51 29.48 -8.04 10.02 29.43 -9.58 9.26 29.45 -8.81 3 0 1000.00 -999 ? >ARG~A 199 6.28 31.11 -2.04 4.52 31.54 0.46 5.40 31.33 -0.79 2 0 1000.00 -999 ? >VAL~A 200 1.89 28.58 -6.60 0.37 30.06 -7.17 1.13 29.32 -6.89 3 0 1000.00 -999 ? >THR~A 201 3.34 26.23 -9.24 4.60 26.48 -10.97 3.97 26.36 -10.10 2 0 1000.00 -999 ? >ARG~A 202 7.10 21.97 -5.45 10.07 21.30 -4.84 8.58 21.64 -5.15 2 0 1000.00 -999 ? >THR~A 203 1.86 23.84 -4.37 1.30 25.10 -2.69 1.58 24.47 -3.53 2 0 1000.00 -999 ? >GLY~A 204 -0.52 23.18 -7.29 -0.65 23.70 -6.64 -0.59 23.44 -6.96 1 0 1000.00 -999 ? >GLY.A 205 -4.29 23.55 -7.01 -3.80 23.17 -6.46 -4.04 23.36 -6.73 1 0 1000.00 -999 ? >SER.B 6 8.36 61.22 -15.41 6.63 59.51 -15.50 7.49 60.36 -15.46 2 0 1000.00 -999 ? >PRO.B 7 9.87 57.31 -14.28 10.16 58.72 -15.99 10.02 58.01 -15.14 3 0 1000.00 -999 ? >ARG.B 8 10.65 57.55 -23.53 12.91 56.14 -25.11 11.78 56.84 -24.32 2 0 1000.00 -999 ? >ALA.B 9 8.42 53.30 -19.87 7.17 53.07 -19.05 7.79 53.19 -19.46 2 0 1000.00 -999 ? >TRP^B 10 6.12 55.03 -25.04 3.42 55.67 -22.26 4.77 55.35 -23.65 3 0 1000.00 -999 ? >GLN^B 11 11.19 52.99 -28.97 12.95 52.03 -29.66 12.07 52.51 -29.31 2 0 1000.00 -999 ? >ARG^B 12 4.29 56.21 -30.15 2.00 55.73 -28.15 3.15 55.97 -29.15 2 0 1000.00 -999 ? >MET.B 13 7.55 53.83 -33.09 9.31 51.03 -32.39 8.43 52.43 -32.74 2 0 1000.00 -999 ? >LEU.B 14 8.28 56.12 -37.36 10.12 57.21 -37.22 9.20 56.66 -37.29 3 0 1000.00 -999 ? >SER.B 15 4.32 53.82 -37.19 4.74 51.72 -36.15 4.53 52.77 -36.67 2 0 1000.00 -999 ? >GLY.B 16 2.41 55.03 -34.15 2.86 54.37 -34.01 2.63 54.70 -34.08 1 0 1000.00 -999 ? >ARG.B 17 3.51 48.73 -33.91 2.88 49.24 -36.92 3.20 48.98 -35.42 2 0 1000.00 -999 ? >ARG^B 18 3.11 53.34 -25.83 1.76 52.01 -23.39 2.44 52.67 -24.61 2 0 1000.00 -999 ? >LEU^B 19 7.76 48.13 -27.77 8.15 45.97 -27.83 7.96 47.05 -27.80 3 0 1000.00 -999 ? >ASP^B 20 5.75 47.92 -22.41 5.91 48.24 -20.33 5.83 48.08 -21.37 2 0 1000.00 -999 ? >LEU.B 21 11.35 49.64 -21.96 11.98 51.22 -23.32 11.67 50.43 -22.64 3 0 1000.00 -999 ? >LEU.B 22 10.38 46.78 -17.92 12.13 47.79 -17.03 11.26 47.29 -17.47 3 0 1000.00 -999 ? >ASP.B 23 6.05 44.62 -19.19 4.52 43.15 -19.07 5.29 43.88 -19.13 2 0 1000.00 -999 ? >PRO.B 24 9.24 43.01 -23.79 7.30 44.02 -23.30 8.27 43.51 -23.55 3 0 1000.00 -999 ? >SER~B 25 4.04 42.58 -25.73 1.73 42.47 -26.45 2.89 42.53 -26.09 2 0 1000.00 -999 ? >PRO~B 26 4.26 38.62 -27.53 4.36 40.74 -28.22 4.31 39.68 -27.87 3 0 1000.00 -999 ? >LEU~B 27 -0.02 42.21 -29.69 -1.16 40.33 -29.72 -0.59 41.27 -29.70 3 0 1000.00 -999 ? >ASP~B 28 3.62 46.41 -29.13 1.94 47.01 -28.02 2.78 46.71 -28.57 2 0 1000.00 -999 ? >VAL~B 29 6.11 44.24 -32.53 7.69 42.87 -31.94 6.90 43.55 -32.24 3 0 1000.00 -999 ? >GLU~B 30 3.81 45.95 -36.21 2.67 44.23 -36.74 3.24 45.09 -36.47 2 0 1000.00 -999 ? >ILE~B 31 8.92 42.93 -39.82 9.62 42.60 -40.06 9.27 42.76 -39.94 3 0 1000.00 -999 ? >ALA~B 32 8.70 47.55 -40.41 7.48 48.26 -40.93 8.09 47.91 -40.67 2 0 1000.00 -999 ? >ASP~B 33 8.79 49.04 -35.72 6.79 49.73 -35.87 7.79 49.38 -35.80 2 0 1000.00 -999 ? >ILE~B 34 12.30 45.11 -36.42 12.41 43.84 -35.78 12.35 44.47 -36.10 3 0 1000.00 -999 ? >ALA~B 35 13.87 47.13 -39.99 13.18 46.78 -41.29 13.52 46.95 -40.64 2 0 1000.00 -999 ? >HIS~B 36 12.72 53.22 -39.72 13.12 55.26 -39.98 12.92 54.24 -39.85 3 0 1000.00 -999 ? >GLY~B 37 15.67 50.97 -36.49 15.84 50.47 -37.13 15.76 50.72 -36.81 1 0 1000.00 -999 ? >LEU~B 38 17.88 46.73 -37.53 17.60 45.29 -35.97 17.74 46.01 -36.75 3 0 1000.00 -999 ? >ALA~B 39 19.01 49.97 -40.56 18.05 50.16 -41.69 18.53 50.07 -41.13 2 0 1000.00 -999 ? >ARG.B 40 17.09 55.17 -39.38 15.73 54.56 -42.09 16.41 54.87 -40.74 2 0 1000.00 -999 ? >VAL.B 41 21.78 51.41 -35.41 20.95 50.51 -33.59 21.37 50.96 -34.50 3 0 1000.00 -999 ? >ALA.B 42 25.53 50.97 -35.93 26.47 52.15 -35.92 26.00 51.56 -35.93 2 0 1000.00 -999 ? >ARG~B 43 26.59 44.81 -35.70 28.24 42.53 -34.47 27.41 43.67 -35.09 2 0 1000.00 -999 ? >TRP~B 44 31.36 46.49 -36.42 33.45 43.85 -34.39 32.41 45.17 -35.40 3 0 1000.00 -999 ? >ASN~B 45 31.38 52.03 -30.74 30.81 50.92 -29.01 31.10 51.47 -29.87 2 0 1000.00 -999 ? >GLY~B 46 30.69 53.41 -35.39 31.29 53.01 -35.03 30.99 53.21 -35.21 1 0 1000.00 -999 ? >GLN~B 47 36.73 52.74 -34.35 37.17 54.84 -34.35 36.95 53.79 -34.35 2 0 1000.00 -999 ? >THR.B 48 34.25 51.44 -39.04 32.24 50.73 -38.75 33.25 51.08 -38.90 2 0 1000.00 -999 ? >ARG.B 49 39.02 50.17 -43.13 40.71 48.47 -41.12 39.87 49.32 -42.12 2 0 1000.00 -999 ? >GLY.B 50 33.22 53.56 -44.94 33.43 54.12 -44.35 33.32 53.84 -44.65 1 0 1000.00 -999 ? >ASP.B 51 30.81 57.27 -46.92 32.43 58.16 -47.91 31.62 57.71 -47.41 2 0 1000.00 -999 ? >HIS.B 52 26.73 55.20 -46.08 26.33 56.42 -47.73 26.53 55.81 -46.90 3 0 1000.00 -999 ? >ALA.B 53 27.80 53.25 -40.66 26.85 53.67 -39.55 27.32 53.46 -40.10 2 0 1000.00 -999 ? >PHE.B 54 28.71 47.12 -40.89 28.12 44.43 -41.41 28.42 45.77 -41.15 3 0 1000.00 -999 ? >THR~B 55 24.32 48.75 -39.41 23.00 49.58 -40.94 23.66 49.16 -40.18 2 0 1000.00 -999 ? >VAL~B 56 22.80 45.98 -37.35 22.16 45.78 -35.29 22.48 45.88 -36.32 3 0 1000.00 -999 ? >ALA~B 57 20.42 45.30 -40.26 19.57 46.32 -41.01 19.99 45.81 -40.64 2 0 1000.00 -999 ? >GLN~B 58 25.32 44.98 -44.14 26.49 46.42 -45.19 25.91 45.70 -44.66 2 0 1000.00 -999 ? >HIS~B 59 25.77 41.77 -37.52 26.62 40.22 -36.39 26.19 41.00 -36.96 3 0 1000.00 -999 ? >CYH~B 60 21.80 40.38 -39.55 20.20 41.47 -37.54 21.00 40.92 -38.54 2 0 1000.00 -999 ? >LEU~B 61 21.76 40.88 -44.39 20.00 41.78 -45.29 20.88 41.33 -44.84 3 0 1000.00 -999 ? >ILE~B 62 26.63 39.42 -42.96 27.81 40.09 -43.27 27.22 39.75 -43.12 3 0 1000.00 -999 ? >VAL~B 63 24.73 36.36 -40.21 24.59 36.60 -38.04 24.66 36.48 -39.12 3 0 1000.00 -999 ? >GLU~B 64 19.28 34.34 -42.44 19.13 33.80 -44.49 19.20 34.07 -43.47 2 0 1000.00 -999 ? >THR~B 65 23.75 34.12 -45.06 24.22 35.27 -46.80 23.98 34.70 -45.93 2 0 1000.00 -999 ? >ILE~B 66 27.57 33.32 -42.14 28.80 33.82 -41.70 28.18 33.57 -41.92 3 0 1000.00 -999 ? >PHE~B 67 22.17 30.07 -39.63 20.51 28.14 -38.54 21.34 29.10 -39.08 3 0 1000.00 -999 ? >CYH~B 68 22.73 29.07 -44.17 20.34 30.34 -44.78 21.54 29.70 -44.47 2 0 1000.00 -999 ? >ARG~B 69 27.61 28.58 -48.36 28.58 29.99 -50.93 28.10 29.29 -49.65 2 0 1000.00 -999 ? >MET~B 70 27.21 26.55 -42.25 29.08 29.24 -39.48 28.14 27.90 -40.86 2 0 1000.00 -999 ? >CYH~B 71 23.82 24.78 -41.92 24.04 25.66 -39.27 23.93 25.22 -40.59 2 0 1000.00 -999 ? >PRO.B 72 24.73 22.72 -45.58 22.97 23.83 -44.76 23.85 23.27 -45.17 3 0 1000.00 -999 ? >GLY.B 73 19.78 21.67 -43.80 19.97 22.39 -43.51 19.87 22.03 -43.65 1 0 1000.00 -999 ? >ALA.B 74 18.41 24.62 -41.80 19.02 26.01 -41.71 18.72 25.31 -41.75 2 0 1000.00 -999 ? >THR~B 75 14.64 24.99 -41.76 13.93 24.08 -39.95 14.28 24.54 -40.86 2 0 1000.00 -999 ? >PRO~B 76 11.80 27.06 -44.30 13.11 27.59 -42.57 12.45 27.33 -43.44 3 0 1000.00 -999 ? >ASP~B 77 11.32 27.93 -37.95 9.23 27.80 -38.22 10.28 27.86 -38.08 2 0 1000.00 -999 ? >GLU~B 78 16.11 26.15 -37.31 17.10 24.30 -37.60 16.60 25.22 -37.46 2 0 1000.00 -999 ? >MET~B 79 16.74 30.96 -40.87 16.18 29.78 -44.85 16.46 30.37 -42.86 2 0 1000.00 -999 ? >GLN~B 80 12.00 34.69 -39.46 12.21 35.78 -41.26 12.10 35.23 -40.36 2 0 1000.00 -999 ? >MET~B 81 15.60 33.07 -35.94 13.80 30.32 -33.22 14.70 31.69 -34.58 2 0 1000.00 -999 ? >ALA~B 82 19.11 33.73 -37.36 19.86 32.89 -38.42 19.49 33.31 -37.89 2 0 1000.00 -999 ? >LEU~B 83 16.96 36.98 -40.33 16.87 38.55 -41.84 16.91 37.76 -41.08 3 0 1000.00 -999 ? >LEU~B 84 14.60 37.71 -35.91 12.99 38.37 -37.18 13.79 38.04 -36.55 3 0 1000.00 -999 ? >HIS.B 85 20.68 36.26 -32.38 21.64 36.01 -30.53 21.16 36.14 -31.46 3 0 1000.00 -999 ? >ASP.B 86 20.94 41.48 -33.78 22.73 40.50 -33.23 21.83 40.99 -33.50 2 0 1000.00 -999 ? >ALA.B 87 16.17 42.26 -33.58 14.90 41.46 -33.97 15.53 41.86 -33.78 2 0 1000.00 -999 ? >PRO~B 88 15.92 41.00 -29.36 15.98 42.88 -30.53 15.95 41.94 -29.94 3 0 1000.00 -999 ? >GLU~B 89 20.72 44.70 -30.80 22.69 44.79 -31.48 21.71 44.75 -31.14 2 0 1000.00 -999 ? >TYR~B 90 13.31 47.25 -32.77 10.70 46.53 -32.09 12.00 46.89 -32.43 3 0 1000.00 -999 ? >VAL~B 91 14.66 48.80 -28.59 12.62 48.39 -27.82 13.64 48.59 -28.20 3 0 1000.00 -999 ? >ILE~B 92 17.94 46.57 -25.80 18.66 45.54 -25.18 18.30 46.05 -25.49 3 0 1000.00 -999 ? >GLY~B 93 20.42 49.39 -28.72 20.36 48.57 -28.55 20.39 48.98 -28.63 1 0 1000.00 -999 ? >ASP.B 94 24.38 48.17 -31.12 25.83 46.71 -31.63 25.10 47.44 -31.37 2 0 1000.00 -999 ? >MET.B 95 26.72 47.13 -27.37 25.75 47.16 -23.30 26.23 47.14 -25.33 2 0 1000.00 -999 ? >ILE~B 96 31.43 46.53 -28.52 32.26 47.63 -28.46 31.84 47.08 -28.49 3 0 1000.00 -999 ? >SER~B 97 31.07 42.23 -27.10 32.92 41.62 -28.64 31.99 41.92 -27.87 2 0 1000.00 -999 ? >PRO~B 98 34.80 44.29 -25.79 33.05 43.23 -24.86 33.92 43.76 -25.33 3 0 1000.00 -999 ? >PHE~B 99 30.78 47.42 -22.74 32.62 49.49 -22.91 31.70 48.46 -22.82 3 0 1000.00 -999 ? >LYS~B 100 28.31 41.88 -21.74 25.99 44.74 -23.31 27.15 43.31 -22.52 2 0 1000.00 -999 ? >SER~B 101 30.62 40.91 -18.86 32.89 41.48 -19.53 31.76 41.20 -19.20 2 0 1000.00 -999 ? >VAL.B 102 30.25 44.52 -17.68 31.49 46.23 -18.28 30.87 45.38 -17.98 3 0 1000.00 -999 ? >VAL.B 103 26.44 44.85 -17.74 25.66 44.42 -19.76 26.05 44.64 -18.75 3 0 1000.00 -999 ? >GLY~B 104 24.33 43.65 -14.85 24.07 43.55 -15.61 24.20 43.60 -15.23 1 0 1000.00 -999 ? >GLY~B 105 21.62 41.02 -14.61 21.52 41.84 -14.70 21.57 41.43 -14.66 1 0 1000.00 -999 ? >GLY~B 106 18.99 43.74 -15.07 19.51 43.43 -15.62 19.25 43.58 -15.34 1 0 1000.00 -999 ? >TYR~B 107 21.72 44.99 -20.54 22.18 45.66 -23.21 21.95 45.33 -21.87 3 0 1000.00 -999 ? >LYS~B 108 20.17 40.53 -19.43 25.24 39.57 -20.36 22.71 40.05 -19.90 2 0 1000.00 -999 ? >THR~B 109 16.58 40.05 -18.22 15.61 40.07 -16.28 16.09 40.06 -17.25 2 0 1000.00 -999 ? >VAL~B 110 15.45 42.72 -20.68 15.42 44.91 -20.65 15.43 43.82 -20.66 3 0 1000.00 -999 ? >GLU~B 111 19.78 41.77 -23.89 21.74 40.99 -23.95 20.76 41.38 -23.92 2 0 1000.00 -999 ? >LYS~B 112 15.55 37.81 -23.04 20.22 37.74 -21.76 17.88 37.78 -22.40 2 0 1000.00 -999 ? >ARG~B 113 10.94 40.70 -19.32 10.38 40.87 -16.30 10.66 40.78 -17.81 2 0 1000.00 -999 ? >LEU~B 114 13.59 42.37 -26.23 13.33 44.51 -25.79 13.46 43.44 -26.01 3 0 1000.00 -999 ? >GLU~B 115 14.87 35.87 -28.16 16.66 34.92 -27.63 15.77 35.39 -27.90 2 0 1000.00 -999 ? >ALA~B 116 10.44 36.34 -26.66 10.03 36.02 -25.23 10.24 36.18 -25.94 2 0 1000.00 -999 ? >ALA~B 117 8.28 39.29 -27.74 8.40 40.72 -27.27 8.34 40.01 -27.50 2 0 1000.00 -999 ? >VAL~B 118 9.82 39.35 -31.22 11.53 40.31 -32.15 10.68 39.83 -31.68 3 0 1000.00 -999 ? >HIS~B 119 11.91 34.44 -31.14 13.95 34.12 -31.52 12.93 34.28 -31.33 3 0 1000.00 -999 ? >LEU~B 120 5.60 35.58 -29.01 5.59 34.26 -27.27 5.60 34.92 -28.14 3 0 1000.00 -999 ? >ARG~B 121 3.72 40.45 -34.22 2.78 40.23 -37.16 3.25 40.34 -35.69 2 0 1000.00 -999 ? >PHE~B 122 7.67 37.74 -36.62 7.89 40.51 -36.87 7.78 39.13 -36.74 3 0 1000.00 -999 ? >GLY.B 123 4.97 32.53 -34.45 5.74 32.76 -34.47 5.36 32.65 -34.46 1 0 1000.00 -999 ? >LEU.B 124 9.69 32.11 -33.94 10.52 32.44 -35.92 10.11 32.27 -34.93 3 0 1000.00 -999 ? >PRO.B 125 10.55 27.91 -31.68 9.35 29.70 -31.03 9.95 28.81 -31.36 3 0 1000.00 -999 ? >PRO.B 126 8.38 30.89 -26.29 9.64 31.64 -27.99 9.01 31.27 -27.14 3 0 1000.00 -999 ? >HIS.B 127 13.57 32.28 -25.06 12.66 33.59 -23.70 13.12 32.93 -24.38 3 0 1000.00 -999 ? >ALA.B 128 15.81 29.48 -29.80 17.02 30.05 -30.53 16.41 29.76 -30.16 2 0 1000.00 -999 ? >SER~B 129 16.82 26.10 -28.42 17.56 24.73 -30.29 17.19 25.41 -29.35 2 0 1000.00 -999 ? >ARG~B 130 22.36 24.07 -24.10 22.56 21.55 -25.83 22.46 22.81 -24.97 2 0 1000.00 -999 ? >GLU~B 131 21.72 21.97 -31.21 20.96 22.61 -33.07 21.34 22.29 -32.14 2 0 1000.00 -999 ? >LEU~B 132 18.75 26.71 -32.65 18.10 27.71 -34.47 18.42 27.21 -33.56 3 0 1000.00 -999 ? >LYS~B 133 21.49 29.37 -30.26 18.33 30.52 -26.42 19.91 29.94 -28.34 2 0 1000.00 -999 ? >ASP~B 134 25.37 26.37 -30.02 25.44 26.13 -27.92 25.41 26.25 -28.97 2 0 1000.00 -999 ? >ARG~B 135 23.44 24.20 -35.71 20.46 24.13 -36.52 21.95 24.17 -36.11 2 0 1000.00 -999 ? >ILE~B 136 22.14 31.68 -34.20 20.87 32.27 -34.38 21.51 31.97 -34.29 3 0 1000.00 -999 ? >LYS~B 137 26.22 32.32 -32.36 28.82 31.22 -26.98 27.52 31.77 -29.67 2 0 1000.00 -999 ? >LYS~B 138 28.82 30.52 -34.49 31.04 26.05 -32.60 29.93 28.29 -33.55 2 0 1000.00 -999 ? >ALA~B 139 27.52 32.36 -37.58 26.17 32.16 -38.21 26.84 32.26 -37.89 2 0 1000.00 -999 ? >ASP~B 140 26.67 35.92 -34.42 26.76 37.90 -33.80 26.72 36.91 -34.11 2 0 1000.00 -999 ? >THR~B 141 31.09 35.15 -34.64 31.88 34.20 -32.89 31.48 34.67 -33.76 2 0 1000.00 -999 ? >VAL~B 142 32.21 34.48 -38.22 32.28 32.78 -39.59 32.25 33.63 -38.91 3 0 1000.00 -999 ? >ALA~B 143 30.42 37.66 -39.33 28.96 37.99 -39.12 29.69 37.83 -39.23 2 0 1000.00 -999 ? >ALA~B 144 32.19 39.53 -36.53 32.07 39.23 -35.05 32.13 39.38 -35.79 2 0 1000.00 -999 ? >PHE~B 145 37.33 36.58 -38.53 39.85 36.29 -39.67 38.59 36.43 -39.10 3 0 1000.00 -999 ? >PHE~B 146 34.76 37.65 -42.75 35.79 35.21 -43.64 35.27 36.43 -43.20 3 0 1000.00 -999 ? >GLU~B 147 31.08 42.63 -39.84 29.41 42.43 -38.55 30.24 42.53 -39.19 2 0 1000.00 -999 ? >ALA~B 148 36.44 43.28 -37.43 36.81 42.23 -36.40 36.63 42.76 -36.92 2 0 1000.00 -999 ? >THR~B 149 39.20 42.88 -39.99 39.38 40.75 -40.21 39.29 41.81 -40.10 2 0 1000.00 -999 ? >GLU~B 150 36.94 42.52 -44.47 38.56 42.69 -45.84 37.75 42.60 -45.15 2 0 1000.00 -999 ? >LEU~B 151 34.29 47.25 -41.13 32.92 46.98 -42.79 33.60 47.12 -41.96 3 0 1000.00 -999 ? >ALA.B 152 36.69 47.89 -37.63 35.84 47.14 -36.60 36.27 47.52 -37.12 2 0 1000.00 -999 ? >GLY.B 153 40.48 48.14 -37.72 40.17 47.47 -37.49 40.33 47.80 -37.60 1 0 1000.00 -999 ? >PHE.B 154 39.50 43.91 -34.63 37.64 44.26 -32.57 38.57 44.08 -33.60 3 0 1000.00 -999 ? >SER~B 155 44.50 42.95 -37.22 45.78 42.09 -35.36 45.14 42.52 -36.29 2 0 1000.00 -999 ? >THR~B 156 44.24 39.32 -38.33 45.71 39.02 -39.92 44.97 39.17 -39.12 2 0 1000.00 -999 ? >ALA~B 157 45.80 38.41 -34.95 47.17 38.83 -34.47 46.48 38.62 -34.71 2 0 1000.00 -999 ? >GLU~B 158 44.15 42.79 -32.38 43.95 44.84 -32.72 44.05 43.82 -32.55 2 0 1000.00 -999 ? >ALA~B 159 40.33 39.09 -34.88 40.05 39.32 -36.34 40.19 39.21 -35.61 2 0 1000.00 -999 ? >GLN~B 160 43.12 33.48 -34.71 44.69 32.52 -35.78 43.91 33.00 -35.25 2 0 1000.00 -999 ? >LYS~B 161 42.05 35.93 -30.74 43.13 38.53 -25.90 42.59 37.23 -28.32 2 0 1000.00 -999 ? >PHE~B 162 39.38 39.78 -29.66 41.37 41.39 -28.57 40.38 40.58 -29.12 3 0 1000.00 -999 ? >PHE~B 163 35.68 37.95 -33.39 35.18 40.49 -32.38 35.43 39.22 -32.89 3 0 1000.00 -999 ? >GLY~B 164 38.46 32.61 -33.92 38.31 33.32 -34.36 38.38 32.96 -34.14 1 0 1000.00 -999 ? >LEU.B 165 40.91 31.24 -37.79 42.22 31.75 -39.45 41.56 31.50 -38.62 3 0 1000.00 -999 ? >PRO.B 166 36.34 33.38 -40.06 37.12 31.39 -39.40 36.73 32.39 -39.73 3 0 1000.00 -999 ? >ARG.B 167 36.89 23.92 -40.61 35.86 21.62 -42.40 36.38 22.77 -41.51 2 0 1000.00 -999 ? >GLY.B 168 35.23 27.48 -45.11 35.19 28.16 -44.73 35.21 27.82 -44.92 1 0 1000.00 -999 ? >ILE.B 169 32.78 31.48 -43.92 31.31 31.43 -44.22 32.05 31.46 -44.07 3 0 1000.00 -999 ? >THR~B 170 34.91 33.57 -47.49 35.35 32.23 -49.13 35.13 32.90 -48.31 2 0 1000.00 -999 ? >ARG~B 171 35.13 40.88 -47.68 33.72 43.03 -49.37 34.43 41.96 -48.53 2 0 1000.00 -999 ? >ASP~B 172 33.40 35.76 -52.71 33.34 33.73 -52.12 33.37 34.75 -52.41 2 0 1000.00 -999 ? >MET~B 173 29.70 35.23 -50.00 30.64 31.68 -47.92 30.17 33.45 -48.96 2 0 1000.00 -999 ? >PHE~B 174 29.19 38.06 -46.46 31.43 37.47 -44.91 30.31 37.76 -45.68 3 0 1000.00 -999 ? >ASP.B 175 27.61 43.17 -49.97 28.27 45.16 -50.36 27.94 44.17 -50.16 2 0 1000.00 -999 ? >ILE.B 176 31.76 43.10 -45.60 32.87 42.97 -44.77 32.31 43.03 -45.19 3 0 1000.00 -999 ? >ILE.B 177 31.11 47.74 -49.01 32.38 48.43 -48.99 31.75 48.09 -49.00 3 0 1000.00 -999 ? >PRO.B 178 30.56 50.05 -44.09 29.22 49.16 -45.66 29.89 49.60 -44.87 3 0 1000.00 -999 ? >LEU.B 179 24.09 49.01 -46.97 23.86 47.25 -48.19 23.97 48.13 -47.58 3 0 1000.00 -999 ? >PRO~B 180 23.83 53.71 -48.81 23.70 52.77 -46.78 23.76 53.24 -47.80 3 0 1000.00 -999 ? >SER~B 181 20.32 52.97 -44.12 20.88 54.33 -42.20 20.60 53.65 -43.16 2 0 1000.00 -999 ? >THR~B 182 17.71 53.08 -46.90 17.88 54.92 -48.00 17.80 54.00 -47.45 2 0 1000.00 -999 ? >GLU~B 183 20.28 50.93 -50.85 18.57 50.08 -51.85 19.43 50.51 -51.35 2 0 1000.00 -999 ? >ALA~B 184 19.99 48.09 -45.53 20.82 48.53 -44.33 20.40 48.31 -44.93 2 0 1000.00 -999 ? >GLN~B 185 14.19 49.85 -43.90 13.28 51.72 -43.47 13.73 50.79 -43.68 2 0 1000.00 -999 ? >ARG~B 186 15.04 48.24 -51.76 16.85 46.02 -52.92 15.94 47.13 -52.34 2 0 1000.00 -999 ? >LEU~B 187 18.84 44.40 -48.21 19.97 44.64 -50.04 19.41 44.52 -49.12 3 0 1000.00 -999 ? >PHE~B 188 16.31 43.54 -41.98 15.57 42.29 -39.60 15.94 42.92 -40.79 3 0 1000.00 -999 ? >ILE~B 189 11.89 44.75 -45.55 10.89 45.71 -45.35 11.39 45.23 -45.45 3 0 1000.00 -999 ? >ALA~B 190 13.19 41.64 -48.47 14.04 42.08 -49.65 13.61 41.86 -49.06 2 0 1000.00 -999 ? >ARG~B 191 16.95 36.39 -47.06 16.97 33.35 -47.62 16.96 34.87 -47.34 2 0 1000.00 -999 ? >PHE~B 192 10.96 39.49 -42.20 8.71 38.87 -40.68 9.83 39.18 -41.44 3 0 1000.00 -999 ? >GLU~B 193 8.69 40.63 -46.70 8.15 42.24 -47.96 8.42 41.44 -47.33 2 0 1000.00 -999 ? >ALA~B 194 11.65 35.72 -48.49 13.04 35.87 -49.09 12.35 35.80 -48.79 2 0 1000.00 -999 ? >ILE~B 195 12.99 33.81 -44.20 14.12 33.61 -43.40 13.56 33.71 -43.80 3 0 1000.00 -999 ? >GLU~B 196 7.97 36.13 -43.04 7.40 35.05 -41.31 7.69 35.59 -42.17 2 0 1000.00 -999 ? >THR~B 197 7.45 32.63 -47.86 7.24 33.48 -49.83 7.35 33.06 -48.85 2 0 1000.00 -999 ? >LEU~B 198 11.22 29.60 -46.99 12.83 29.56 -48.46 12.02 29.58 -47.72 3 0 1000.00 -999 ? >ARG~B 199 9.09 31.58 -40.95 7.38 32.14 -38.45 8.23 31.86 -39.70 2 0 1000.00 -999 ? >VAL~B 200 4.61 29.04 -45.47 3.14 30.53 -46.12 3.87 29.78 -45.79 3 0 1000.00 -999 ? >THR~B 201 5.86 26.51 -48.06 7.03 26.60 -49.88 6.44 26.56 -48.97 2 0 1000.00 -999 ? >ARG~B 202 10.52 23.14 -44.59 13.08 21.49 -44.03 11.80 22.32 -44.31 2 0 1000.00 -999 ? >THR~B 203 4.38 24.41 -43.20 3.99 25.67 -41.48 4.18 25.04 -42.34 2 0 1000.00 -999 ? >SER.C 6 36.94 34.30 13.84 39.32 33.80 13.75 38.13 34.05 13.80 2 0 1000.00 -999 ? >PRO.C 7 35.29 36.15 17.46 35.11 36.43 15.23 35.20 36.29 16.34 3 0 1000.00 -999 ? >ARG.C 8 34.63 42.53 10.66 32.41 44.67 10.57 33.52 43.60 10.61 2 0 1000.00 -999 ? >ALA.C 9 36.80 42.98 16.25 38.07 42.56 16.96 37.43 42.77 16.61 2 0 1000.00 -999 ? >TRP^C 10 39.14 45.47 11.38 41.77 42.92 12.83 40.46 44.19 12.11 3 0 1000.00 -999 ? >GLN^C 11 34.09 49.57 10.04 32.35 50.73 10.22 33.22 50.15 10.13 2 0 1000.00 -999 ? >ARG^C 12 40.99 48.12 6.97 43.32 47.10 8.66 42.16 47.61 7.82 2 0 1000.00 -999 ? >MET.C 13 37.68 51.90 6.49 35.98 53.42 9.01 36.83 52.66 7.75 2 0 1000.00 -999 ? >LEU.C 14 36.95 53.30 1.88 35.15 52.32 1.14 36.05 52.81 1.51 3 0 1000.00 -999 ? >SER.C 15 40.94 54.78 3.57 40.54 55.49 5.82 40.74 55.14 4.70 2 0 1000.00 -999 ? >GLY.C 16 42.83 51.79 5.03 42.38 52.19 5.54 42.61 51.99 5.29 1 0 1000.00 -999 ? >ARG.C 17 42.64 56.58 9.19 42.08 58.29 6.67 42.36 57.43 7.93 2 0 1000.00 -999 ? >ARG^C 18 42.05 47.17 11.96 43.38 46.31 14.61 42.71 46.74 13.29 2 0 1000.00 -999 ? >LEU^C 19 37.56 52.32 14.32 37.12 53.90 15.79 37.34 53.11 15.06 3 0 1000.00 -999 ? >ASP^C 20 39.36 48.71 18.40 39.10 46.97 19.58 39.23 47.84 18.99 2 0 1000.00 -999 ? >LEU.C 21 33.89 46.98 17.33 33.34 46.73 15.23 33.62 46.85 16.28 3 0 1000.00 -999 ? >LEU.C 22 34.91 46.37 22.23 33.26 44.96 21.92 34.08 45.66 22.07 3 0 1000.00 -999 ? >ASP.C 23 38.87 49.31 23.46 39.91 50.73 24.65 39.39 50.02 24.05 2 0 1000.00 -999 ? >PRO.C 24 35.89 53.26 20.64 37.84 52.17 20.37 36.86 52.71 20.50 3 0 1000.00 -999 ? >SER~C 25 41.18 54.83 19.74 43.48 55.41 19.22 42.33 55.12 19.48 2 0 1000.00 -999 ? >PRO~C 26 41.01 58.96 21.28 40.86 57.90 19.31 40.94 58.43 20.29 3 0 1000.00 -999 ? >LEU~C 27 45.24 57.92 17.25 46.38 59.33 18.49 45.81 58.63 17.87 3 0 1000.00 -999 ? >ASP~C 28 41.63 54.49 14.68 43.28 53.25 15.05 42.45 53.87 14.87 2 0 1000.00 -999 ? >VAL~C 29 39.15 58.40 13.73 37.53 58.92 15.11 38.34 58.66 14.42 3 0 1000.00 -999 ? >GLU~C 30 41.49 59.76 9.98 42.62 61.31 10.86 42.06 60.53 10.42 2 0 1000.00 -999 ? >ILE~C 31 36.33 64.39 9.41 35.62 64.77 9.46 35.97 64.58 9.44 3 0 1000.00 -999 ? >ALA~C 32 36.63 61.48 5.78 37.88 61.34 4.96 37.26 61.41 5.37 2 0 1000.00 -999 ? >ASP~C 33 36.52 57.20 8.09 38.51 56.83 7.52 37.51 57.02 7.80 2 0 1000.00 -999 ? >ILE~C 34 32.96 60.44 10.31 32.86 60.88 11.64 32.91 60.66 10.97 3 0 1000.00 -999 ? >ALA~C 35 31.40 61.50 6.35 32.08 62.68 5.68 31.74 62.09 6.01 2 0 1000.00 -999 ? >HIS~C 36 32.59 56.97 2.27 32.19 55.74 0.62 32.39 56.36 1.44 3 0 1000.00 -999 ? >GLY~C 37 29.61 56.30 6.15 29.44 57.10 6.01 29.52 56.70 6.08 1 0 1000.00 -999 ? >LEU~C 38 27.36 60.04 8.37 27.62 59.93 10.50 27.49 59.99 9.43 3 0 1000.00 -999 ? >ALA~C 39 26.25 59.85 3.92 27.23 60.51 2.97 26.74 60.18 3.44 2 0 1000.00 -999 ? >ARG.C 40 28.18 55.31 1.11 29.54 57.65 -0.41 28.86 56.48 0.35 2 0 1000.00 -999 ? >VAL.C 41 23.48 55.25 6.52 24.29 54.59 8.44 23.88 54.92 7.48 3 0 1000.00 -999 ? >ALA.C 42 19.71 55.90 6.42 18.78 55.02 5.58 19.24 55.46 6.00 2 0 1000.00 -999 ? >ARG~C 43 18.65 60.06 10.99 17.00 60.82 13.49 17.82 60.44 12.24 2 0 1000.00 -999 ? >TRP~C 44 13.84 59.46 9.34 11.85 59.75 12.71 12.84 59.60 11.02 3 0 1000.00 -999 ? >ASN~C 45 13.93 51.51 9.39 14.45 51.14 11.43 14.19 51.32 10.41 2 0 1000.00 -999 ? >GLY~C 46 14.62 53.82 5.11 14.01 53.84 5.64 14.31 53.83 5.38 1 0 1000.00 -999 ? >GLN~C 47 8.56 53.54 6.29 8.12 52.06 4.79 8.34 52.80 5.54 2 0 1000.00 -999 ? >THR.C 48 11.06 57.79 3.86 13.05 58.08 4.62 12.06 57.94 4.24 2 0 1000.00 -999 ? >ARG.C 49 6.39 61.63 1.95 4.58 61.55 4.51 5.49 61.59 3.23 2 0 1000.00 -999 ? >GLY.C 50 11.87 60.23 -2.06 11.77 59.42 -1.92 11.82 59.83 -1.99 1 0 1000.00 -999 ? >ASP.C 51 14.55 58.95 -5.87 12.95 58.82 -7.24 13.75 58.88 -6.56 2 0 1000.00 -999 ? >HIS.C 52 18.49 60.21 -3.72 19.22 60.22 -5.69 18.85 60.21 -4.70 3 0 1000.00 -999 ? >ALA.C 53 17.39 57.77 1.52 18.31 56.71 2.04 17.85 57.24 1.78 2 0 1000.00 -999 ? >PHE.C 54 16.53 62.24 5.72 17.15 64.49 7.23 16.84 63.37 6.47 3 0 1000.00 -999 ? >THR~C 55 20.94 60.01 5.54 22.26 60.51 3.90 21.60 60.26 4.72 2 0 1000.00 -999 ? >VAL~C 56 22.42 60.45 8.98 23.06 59.09 10.56 22.74 59.77 9.77 3 0 1000.00 -999 ? >ALA~C 57 24.84 63.01 7.47 25.71 62.84 6.25 25.28 62.93 6.86 2 0 1000.00 -999 ? >GLN~C 58 20.04 66.02 4.89 18.85 65.79 3.14 19.45 65.90 4.02 2 0 1000.00 -999 ? >HIS~C 59 19.47 63.56 11.86 18.62 63.85 13.76 19.05 63.71 12.81 3 0 1000.00 -999 ? >CYH~C 60 23.47 65.96 11.39 25.05 63.73 12.06 24.26 64.85 11.72 2 0 1000.00 -999 ? >LEU~C 61 23.56 69.06 7.64 25.31 68.94 6.38 24.44 69.00 7.01 3 0 1000.00 -999 ? >ILE~C 62 18.64 69.09 9.70 17.40 68.92 9.00 18.02 69.00 9.35 3 0 1000.00 -999 ? >VAL~C 63 20.55 69.29 13.80 20.67 67.54 15.11 20.61 68.41 14.46 3 0 1000.00 -999 ? >GLU~C 64 26.02 72.30 13.65 26.19 74.10 12.58 26.11 73.20 13.12 2 0 1000.00 -999 ? >THR~C 65 21.57 74.26 11.93 21.04 74.60 9.86 21.30 74.43 10.90 2 0 1000.00 -999 ? >ILE~C 66 17.70 72.79 14.52 16.46 72.16 14.38 17.08 72.47 14.45 3 0 1000.00 -999 ? >PHE~C 67 23.16 73.49 18.62 24.84 74.29 20.67 24.00 73.89 19.64 3 0 1000.00 -999 ? >CYH~C 68 22.55 77.31 16.16 24.99 76.77 15.00 23.77 77.04 15.58 2 0 1000.00 -999 ? >ARG~C 69 18.94 79.76 12.58 22.06 79.34 12.57 20.50 79.55 12.57 2 0 1000.00 -999 ? >MET~C 70 17.90 77.69 19.10 15.89 73.95 19.21 16.90 75.82 19.15 2 0 1000.00 -999 ? >CYH~C 71 21.23 78.70 20.72 21.05 76.29 22.13 21.14 77.50 21.42 2 0 1000.00 -999 ? >PRO.C 72 20.61 82.97 20.22 22.09 81.44 19.50 21.35 82.21 19.86 3 0 1000.00 -999 ? >GLY.C 73 25.27 82.15 21.78 25.10 81.46 21.42 25.18 81.81 21.60 1 0 1000.00 -999 ? >ALA.C 74 26.72 78.74 20.88 26.10 77.72 19.92 26.41 78.23 20.40 2 0 1000.00 -999 ? >THR~C 75 30.52 78.48 20.61 31.32 77.94 22.52 30.92 78.21 21.57 2 0 1000.00 -999 ? >PRO~C 76 33.41 78.79 17.39 32.07 77.22 18.22 32.74 78.00 17.80 3 0 1000.00 -999 ? >ASP~C 77 33.95 73.80 21.29 36.05 74.06 21.13 35.00 73.93 21.21 2 0 1000.00 -999 ? >GLU~C 78 29.13 74.51 22.95 27.99 75.90 24.06 28.56 75.21 23.51 2 0 1000.00 -999 ? >MET~C 79 28.58 73.59 17.07 28.96 77.42 15.36 28.77 75.50 16.22 2 0 1000.00 -999 ? >GLN~C 80 33.31 69.89 15.51 33.13 70.41 13.46 33.22 70.15 14.48 2 0 1000.00 -999 ? >MET~C 81 29.66 68.61 19.09 31.32 68.82 23.02 30.49 68.71 21.06 2 0 1000.00 -999 ? >ALA~C 82 26.18 69.17 17.58 25.46 70.51 17.41 25.82 69.84 17.49 2 0 1000.00 -999 ? >LEU~C 83 28.33 68.94 13.21 28.44 68.89 11.03 28.39 68.91 12.12 3 0 1000.00 -999 ? >LEU~C 84 30.66 65.32 15.84 32.29 65.76 14.50 31.47 65.54 15.17 3 0 1000.00 -999 ? >HIS.C 85 24.61 63.84 19.38 23.77 62.73 20.94 24.19 63.29 20.16 3 0 1000.00 -999 ? >ASP.C 86 24.34 61.08 14.68 22.54 61.38 15.77 23.44 61.23 15.23 2 0 1000.00 -999 ? >ALA.C 87 29.13 60.41 14.35 30.37 61.20 14.67 29.75 60.81 14.51 2 0 1000.00 -999 ? >PRO~C 88 29.21 58.29 18.25 29.23 57.79 16.08 29.22 58.04 17.17 3 0 1000.00 -999 ? >GLU~C 89 24.54 56.77 14.49 22.57 57.19 13.91 23.56 56.98 14.20 2 0 1000.00 -999 ? >TYR~C 90 32.01 56.29 11.38 34.61 56.37 12.40 33.31 56.33 11.89 3 0 1000.00 -999 ? >VAL~C 91 30.65 52.26 13.27 32.66 51.98 14.12 31.65 52.12 13.69 3 0 1000.00 -999 ? >ILE~C 92 27.32 51.82 16.74 26.65 52.10 17.90 26.99 51.96 17.32 3 0 1000.00 -999 ? >GLY~C 93 24.86 51.96 12.66 24.93 52.41 13.36 24.90 52.19 13.01 1 0 1000.00 -999 ? >ASP.C 94 20.85 54.46 11.84 19.43 55.87 12.56 20.14 55.17 12.20 2 0 1000.00 -999 ? >MET.C 95 18.88 52.30 15.36 19.10 49.47 18.55 18.99 50.89 16.96 2 0 1000.00 -999 ? >ILE~C 96 14.18 53.65 15.32 13.25 52.93 14.54 13.72 53.29 14.93 3 0 1000.00 -999 ? >SER~C 97 15.02 55.37 19.48 15.25 57.74 19.05 15.13 56.56 19.26 2 0 1000.00 -999 ? >PRO~C 98 10.97 53.65 18.94 12.76 53.32 20.25 11.86 53.49 19.59 3 0 1000.00 -999 ? >PHE~C 99 14.22 48.66 18.30 12.04 47.43 17.05 13.13 48.05 17.68 3 0 1000.00 -999 ? >LYS~C 100 17.67 52.03 22.16 20.39 56.83 19.12 19.03 54.43 20.64 2 0 1000.00 -999 ? >SER~C 101 15.59 51.28 25.28 14.00 53.04 24.76 14.80 52.16 25.02 2 0 1000.00 -999 ? >VAL.C 102 15.60 47.56 24.41 14.14 46.54 23.12 14.87 47.05 23.77 3 0 1000.00 -999 ? >VAL.C 103 19.31 46.98 23.69 20.02 48.42 22.19 19.66 47.70 22.94 3 0 1000.00 -999 ? >GLY.C 104 21.76 45.81 26.36 21.87 46.46 25.87 21.82 46.13 26.12 1 0 1000.00 -999 ? >GLY.C 105 24.16 47.98 28.33 24.48 47.76 27.81 24.32 47.87 28.07 1 0 1000.00 -999 ? >GLY~C 106 26.44 46.89 26.57 26.60 47.80 26.30 26.52 47.35 26.44 1 0 1000.00 -999 ? >TYR~C 107 23.93 49.11 21.39 23.26 50.62 19.14 23.60 49.86 20.26 3 0 1000.00 -999 ? >LYS~C 108 25.23 51.74 25.19 20.81 49.87 27.45 23.02 50.81 26.32 2 0 1000.00 -999 ? >THR~C 109 28.80 51.39 26.57 29.75 50.07 28.03 29.27 50.73 27.30 2 0 1000.00 -999 ? >VAL~C 110 30.18 51.10 23.04 30.35 49.51 21.54 30.27 50.31 22.29 3 0 1000.00 -999 ? >GLU~C 111 26.05 55.24 21.11 23.94 55.13 21.26 25.00 55.18 21.18 2 0 1000.00 -999 ? >LYS~C 112 29.66 56.22 24.79 26.09 56.03 30.03 27.87 56.12 27.41 2 0 1000.00 -999 ? >ARG~C 113 34.21 51.66 25.48 34.85 49.26 27.27 34.53 50.46 26.38 2 0 1000.00 -999 ? >LEU~C 114 31.81 55.36 19.36 32.01 53.54 18.19 31.91 54.45 18.77 3 0 1000.00 -999 ? >GLU~C 115 30.32 61.16 22.66 28.53 61.57 23.66 29.42 61.37 23.16 2 0 1000.00 -999 ? >ALA~C 116 34.70 59.96 23.44 35.09 59.16 24.68 34.90 59.56 24.06 2 0 1000.00 -999 ? >ALA~C 117 36.98 58.70 20.67 36.98 57.32 20.05 36.98 58.01 20.36 2 0 1000.00 -999 ? >VAL~C 118 35.43 61.00 18.06 33.70 60.94 16.71 34.57 60.97 17.39 3 0 1000.00 -999 ? >HIS~C 119 33.29 64.43 21.60 31.26 64.95 21.55 32.28 64.69 21.58 3 0 1000.00 -999 ? >LEU~C 120 39.59 62.17 22.38 39.59 62.08 24.54 39.59 62.12 23.46 3 0 1000.00 -999 ? >ARG~C 121 41.47 62.24 15.21 42.49 64.45 13.32 41.98 63.35 14.26 2 0 1000.00 -999 ? >PHE~C 122 37.66 65.93 15.40 37.50 64.16 13.25 37.58 65.04 14.33 3 0 1000.00 -999 ? >GLY.C 123 40.28 68.13 20.64 39.50 67.95 20.48 39.89 68.04 20.56 1 0 1000.00 -999 ? >LEU.C 124 35.55 68.01 21.26 34.74 69.18 19.61 35.14 68.60 20.44 3 0 1000.00 -999 ? >PRO.C 125 34.64 69.46 25.77 35.79 67.70 24.99 35.21 68.58 25.38 3 0 1000.00 -999 ? >PRO.C 126 36.68 63.50 27.56 35.45 64.20 25.81 36.07 63.85 26.69 3 0 1000.00 -999 ? >HIS.C 127 31.49 61.79 27.41 32.12 59.82 27.08 31.80 60.80 27.24 3 0 1000.00 -999 ? >ALA.C 128 29.27 67.13 26.29 28.08 67.29 25.38 28.67 67.21 25.84 2 0 1000.00 -999 ? >SER~C 129 28.14 68.56 29.59 27.43 70.80 29.15 27.79 69.68 29.37 2 0 1000.00 -999 ? >ARG~C 130 22.20 66.34 33.36 21.84 63.31 32.89 22.02 64.82 33.12 2 0 1000.00 -999 ? >GLU~C 131 23.04 73.56 30.01 23.59 74.42 28.18 23.31 73.99 29.10 2 0 1000.00 -999 ? >LEU~C 132 26.42 70.97 25.91 27.14 71.44 23.91 26.78 71.21 24.91 3 0 1000.00 -999 ? >LYS~C 133 23.63 67.37 25.77 23.11 63.10 29.93 23.37 65.24 27.85 2 0 1000.00 -999 ? >ASP~C 134 19.75 69.51 27.88 19.70 68.29 29.61 19.73 68.90 28.74 2 0 1000.00 -999 ? >ARG~C 135 20.47 74.51 25.35 18.92 73.15 27.66 19.69 73.83 26.50 2 0 1000.00 -999 ? >ILE~C 136 23.07 68.41 21.24 24.37 68.15 20.71 23.72 68.28 20.98 3 0 1000.00 -999 ? >LYS~C 137 19.02 66.57 22.13 17.22 61.59 21.44 18.12 64.08 21.79 2 0 1000.00 -999 ? >LYS~C 138 16.36 69.28 21.80 11.53 70.97 23.50 13.95 70.13 22.65 2 0 1000.00 -999 ? >ALA~C 139 17.69 70.20 18.37 19.08 70.74 18.06 18.39 70.47 18.21 2 0 1000.00 -999 ? >ASP~C 140 18.51 65.41 18.20 18.44 63.60 17.19 18.47 64.51 17.70 2 0 1000.00 -999 ? >THR~C 141 14.10 66.06 18.55 13.33 65.50 20.48 13.71 65.78 19.52 2 0 1000.00 -999 ? >VAL~C 142 13.00 69.14 16.58 13.04 71.30 16.90 13.02 70.22 16.74 3 0 1000.00 -999 ? >ALA~C 143 14.74 67.72 13.49 16.21 67.39 13.35 15.47 67.56 13.42 2 0 1000.00 -999 ? >ALA~C 144 12.98 64.41 14.18 13.11 63.56 15.43 13.05 63.98 14.81 2 0 1000.00 -999 ? >PHE~C 145 7.82 67.83 14.85 5.24 68.68 14.28 6.53 68.26 14.56 3 0 1000.00 -999 ? >PHE~C 146 10.36 70.10 11.11 9.36 72.42 12.27 9.86 71.26 11.69 3 0 1000.00 -999 ? >GLU~C 147 14.15 64.54 9.60 15.80 63.75 10.67 14.97 64.15 10.13 2 0 1000.00 -999 ? >ALA~C 148 8.83 62.30 10.81 8.46 62.19 12.27 8.65 62.24 11.54 2 0 1000.00 -999 ? >THR~C 149 6.07 64.42 9.28 5.76 66.04 10.69 5.92 65.23 9.98 2 0 1000.00 -999 ? >GLU~C 150 8.38 67.95 6.51 6.91 68.99 5.41 7.64 68.47 5.96 2 0 1000.00 -999 ? >LEU~C 151 10.99 62.33 5.31 12.33 63.70 4.33 11.66 63.01 4.82 3 0 1000.00 -999 ? >ALA.C 152 8.59 59.25 7.25 9.46 59.04 8.49 9.03 59.14 7.87 2 0 1000.00 -999 ? >GLY.C 153 4.79 59.13 7.09 5.08 59.45 7.73 4.93 59.29 7.41 1 0 1000.00 -999 ? >PHE.C 154 5.61 59.13 12.12 6.99 56.78 12.73 6.30 57.96 12.43 3 0 1000.00 -999 ? >SER~C 155 0.89 62.46 11.24 -0.44 61.70 13.13 0.22 62.08 12.19 2 0 1000.00 -999 ? >THR~C 156 1.33 65.75 13.09 0.22 67.28 12.06 0.77 66.52 12.57 2 0 1000.00 -999 ? >ALA~C 157 -0.49 64.13 16.01 -1.90 63.55 15.97 -1.19 63.84 15.99 2 0 1000.00 -999 ? >GLU~C 158 1.14 59.17 14.77 1.38 57.92 13.11 1.26 58.54 13.94 2 0 1000.00 -999 ? >ALA~C 159 4.99 63.49 15.74 5.35 64.33 14.53 5.17 63.91 15.14 2 0 1000.00 -999 ? >GLN~C 160 2.17 67.26 19.87 0.67 68.76 19.86 1.42 68.01 19.86 2 0 1000.00 -999 ? >LYS~C 161 3.23 62.83 20.82 0.15 61.50 25.02 1.69 62.17 22.92 2 0 1000.00 -999 ? >PHE~C 162 5.85 59.38 18.72 3.88 57.46 18.19 4.86 58.42 18.45 3 0 1000.00 -999 ? >PHE~C 163 9.51 63.25 17.51 9.99 60.76 16.38 9.75 62.00 16.94 3 0 1000.00 -999 ? >GLY~C 164 6.82 67.40 20.92 6.96 67.22 20.11 6.89 67.31 20.51 1 0 1000.00 -999 ? >LEU.C 165 4.41 71.20 19.25 3.09 72.07 17.74 3.75 71.64 18.50 3 0 1000.00 -999 ? >PRO.C 166 8.64 71.48 15.92 8.11 72.17 17.94 8.38 71.83 16.93 3 0 1000.00 -999 ? >ARG.C 167 12.07 75.04 22.41 13.94 74.72 24.94 13.01 74.88 23.67 2 0 1000.00 -999 ? >GLY.C 168 10.14 78.60 17.29 10.26 77.87 17.07 10.20 78.24 17.18 1 0 1000.00 -999 ? >ILE.C 169 12.62 75.24 14.94 13.98 75.68 14.64 13.30 75.46 14.79 3 0 1000.00 -999 ? >THR~C 170 10.09 76.37 11.24 9.48 78.44 11.13 9.78 77.40 11.18 2 0 1000.00 -999 ? >ARG~C 171 7.08 73.52 6.81 5.07 72.22 4.89 6.07 72.87 5.85 2 0 1000.00 -999 ? >ASP~C 172 11.11 78.26 5.74 10.66 79.48 7.40 10.88 78.87 6.57 2 0 1000.00 -999 ? >MET~C 173 15.11 77.29 8.26 14.11 78.51 12.15 14.61 77.90 10.20 2 0 1000.00 -999 ? >PHE~C 174 15.76 72.67 8.45 13.43 71.70 9.61 14.59 72.19 9.03 3 0 1000.00 -999 ? >ASP.C 175 17.51 71.92 2.53 17.81 73.90 1.87 17.66 72.91 2.20 2 0 1000.00 -999 ? >ILE.C 176 13.56 68.40 5.18 12.47 67.87 5.81 13.01 68.14 5.49 3 0 1000.00 -999 ? >ILE.C 177 14.37 67.67 -0.57 13.77 68.15 -1.67 14.07 67.91 -1.12 3 0 1000.00 -999 ? >PRO.C 178 14.66 62.64 1.32 16.08 64.27 0.86 15.37 63.46 1.09 3 0 1000.00 -999 ? >LEU.C 179 21.15 65.19 -0.02 21.32 67.32 0.11 21.23 66.26 0.04 3 0 1000.00 -999 ? >PRO~C 180 21.43 62.96 -4.57 21.59 62.32 -2.45 21.51 62.64 -3.51 3 0 1000.00 -999 ? >SER~C 181 24.96 60.31 -0.74 24.45 57.98 -0.23 24.71 59.14 -0.48 2 0 1000.00 -999 ? >THR~C 182 27.62 62.19 -2.72 27.50 61.61 -4.78 27.56 61.90 -3.75 2 0 1000.00 -999 ? >GLU~C 183 24.50 67.57 -2.30 25.92 68.86 -3.21 25.21 68.21 -2.75 2 0 1000.00 -999 ? >ALA~C 184 25.29 64.77 1.73 24.48 63.60 2.25 24.88 64.19 1.99 2 0 1000.00 -999 ? >GLN~C 185 31.04 62.30 1.68 31.92 60.66 0.66 31.48 61.48 1.17 2 0 1000.00 -999 ? >ARG~C 186 30.30 68.99 -2.79 28.77 71.53 -1.93 29.54 70.26 -2.36 2 0 1000.00 -999 ? >LEU~C 187 26.48 69.33 2.43 25.38 70.60 1.04 25.93 69.97 1.74 3 0 1000.00 -999 ? >PHE~C 188 28.95 65.48 7.45 29.67 64.63 10.00 29.31 65.05 8.73 3 0 1000.00 -999 ? >ILE~C 189 33.42 67.11 4.18 34.43 66.22 3.74 33.93 66.66 3.96 3 0 1000.00 -999 ? >ALA~C 190 32.19 71.40 4.22 31.39 71.92 3.02 31.79 71.66 3.62 2 0 1000.00 -999 ? >ARG~C 191 28.34 74.12 8.90 28.37 76.61 10.75 28.36 75.37 9.82 2 0 1000.00 -999 ? >PHE~C 192 34.35 68.51 10.19 36.63 67.81 11.64 35.49 68.16 10.92 3 0 1000.00 -999 ? >GLU~C 193 36.70 70.81 6.16 38.42 70.28 7.31 37.56 70.54 6.74 2 0 1000.00 -999 ? >ALA~C 194 33.82 75.65 8.40 32.46 76.05 7.84 33.14 75.85 8.12 2 0 1000.00 -999 ? >ILE~C 195 32.38 73.91 12.75 31.26 73.46 13.46 31.82 73.68 13.11 3 0 1000.00 -999 ? >GLU~C 196 37.38 71.35 12.06 37.93 70.99 14.06 37.65 71.17 13.06 2 0 1000.00 -999 ? >THR~C 197 38.00 77.20 11.01 38.19 77.97 8.98 38.10 77.59 9.99 2 0 1000.00 -999 ? >LEU~C 198 34.34 78.99 13.74 32.90 80.14 12.60 33.62 79.56 13.17 3 0 1000.00 -999 ? >ARG~C 199 36.08 73.29 16.77 37.86 71.14 18.09 36.97 72.21 17.43 2 0 1000.00 -999 ? >VAL~C 200 40.95 77.97 15.95 41.70 77.36 13.99 41.33 77.67 14.97 3 0 1000.00 -999 ? >THR~C 201 39.69 81.59 15.82 38.84 82.55 14.07 39.27 82.07 14.94 2 0 1000.00 -999 ? >ARG.D 8 37.71 43.30 -29.00 35.55 45.47 -29.21 36.63 44.38 -29.11 2 0 1000.00 -999 ? >ALA.D 9 39.37 44.38 -23.14 40.45 44.03 -22.12 39.91 44.21 -22.63 2 0 1000.00 -999 ? >TRP^D 10 41.83 46.40 -28.19 44.64 44.04 -26.76 43.23 45.22 -27.48 3 0 1000.00 -999 ? >GLN^D 11 37.00 50.47 -29.85 35.25 51.65 -29.79 36.13 51.06 -29.82 2 0 1000.00 -999 ? >ARG^D 12 43.81 48.89 -32.86 46.18 47.98 -31.11 45.00 48.43 -31.98 2 0 1000.00 -999 ? >MET.D 13 40.60 52.61 -33.48 38.89 54.25 -31.08 39.75 53.43 -32.28 2 0 1000.00 -999 ? >LEU.D 14 39.92 53.75 -38.17 38.11 52.80 -38.84 39.02 53.28 -38.51 3 0 1000.00 -999 ? >SER.D 15 43.88 55.31 -36.52 43.44 56.15 -34.32 43.66 55.73 -35.42 2 0 1000.00 -999 ? >GLY.D 16 45.76 52.44 -34.85 45.28 52.88 -34.37 45.52 52.66 -34.61 1 0 1000.00 -999 ? >ARG.D 17 45.40 57.43 -30.80 45.03 58.89 -33.51 45.21 58.16 -32.15 2 0 1000.00 -999 ? >ARG^D 18 44.78 48.05 -27.81 46.34 47.45 -25.21 45.56 47.75 -26.51 2 0 1000.00 -999 ? >LEU^D 19 40.53 53.46 -25.68 40.12 55.13 -24.34 40.32 54.30 -25.01 3 0 1000.00 -999 ? >ASP^D 20 42.44 50.20 -21.36 42.17 48.62 -19.97 42.30 49.41 -20.66 2 0 1000.00 -999 ? >LEU.D 21 36.73 48.98 -22.14 36.23 48.34 -24.19 36.48 48.66 -23.16 3 0 1000.00 -999 ? >LEU.D 22 37.99 48.22 -17.38 36.49 46.67 -17.68 37.24 47.45 -17.53 3 0 1000.00 -999 ? >ASP.D 23 42.14 50.83 -16.55 43.55 51.94 -15.40 42.85 51.39 -15.97 2 0 1000.00 -999 ? >PRO.D 24 39.07 55.01 -19.25 40.96 53.83 -19.49 40.02 54.42 -19.37 3 0 1000.00 -999 ? >SER~D 25 44.22 56.46 -20.45 46.51 57.04 -20.99 45.36 56.75 -20.72 2 0 1000.00 -999 ? >PRO~D 26 43.95 60.69 -19.23 43.79 59.48 -21.12 43.87 60.08 -20.18 3 0 1000.00 -999 ? >LEU~D 27 48.14 59.42 -23.19 49.28 60.89 -22.03 48.71 60.16 -22.61 3 0 1000.00 -999 ? >ASP~D 28 44.56 55.72 -25.52 46.23 54.57 -25.01 45.40 55.15 -25.26 2 0 1000.00 -999 ? >VAL~D 29 42.05 59.56 -26.64 40.47 60.22 -25.27 41.26 59.89 -25.96 3 0 1000.00 -999 ? >GLU~D 30 44.40 60.75 -30.50 45.48 62.41 -29.76 44.94 61.58 -30.13 2 0 1000.00 -999 ? >ILE~D 31 39.23 65.25 -31.35 38.52 65.65 -31.33 38.87 65.45 -31.34 3 0 1000.00 -999 ? >ALA~D 32 39.55 62.11 -34.81 40.79 61.88 -35.62 40.17 62.00 -35.22 2 0 1000.00 -999 ? >ASP~D 33 39.41 57.98 -32.23 41.42 57.60 -32.76 40.41 57.79 -32.50 2 0 1000.00 -999 ? >ILE~D 34 35.87 61.39 -30.22 35.79 61.92 -28.90 35.83 61.66 -29.56 3 0 1000.00 -999 ? >ALA~D 35 34.33 62.19 -34.26 35.03 63.29 -35.01 34.68 62.74 -34.63 2 0 1000.00 -999 ? >HIS~D 36 35.51 57.45 -38.06 35.15 56.13 -39.64 35.33 56.79 -38.85 3 0 1000.00 -999 ? >GLY~D 37 32.53 57.01 -34.14 32.36 57.79 -34.32 32.44 57.40 -34.23 1 0 1000.00 -999 ? >LEU~D 38 30.27 60.86 -32.11 30.53 60.87 -29.97 30.40 60.87 -31.04 3 0 1000.00 -999 ? >ALA~D 39 29.14 60.42 -36.53 30.09 61.05 -37.51 29.61 60.74 -37.02 2 0 1000.00 -999 ? >ARG.D 40 31.09 55.65 -39.15 32.43 57.92 -40.76 31.76 56.79 -39.95 2 0 1000.00 -999 ? >VAL.D 41 26.42 55.90 -33.65 27.22 55.37 -31.66 26.82 55.63 -32.65 3 0 1000.00 -999 ? >ALA.D 42 22.70 56.63 -33.78 21.77 55.78 -34.62 22.24 56.21 -34.20 2 0 1000.00 -999 ? >ARG~D 43 21.57 61.33 -29.59 19.91 61.86 -27.03 20.74 61.59 -28.31 2 0 1000.00 -999 ? >TRP~D 44 16.74 60.28 -31.04 14.69 60.71 -27.72 15.72 60.49 -29.38 3 0 1000.00 -999 ? >ASN~D 45 16.88 52.33 -30.60 17.40 52.12 -28.56 17.14 52.22 -29.58 2 0 1000.00 -999 ? >GLY~D 46 17.52 54.48 -35.01 16.93 54.53 -34.48 17.22 54.50 -34.74 1 0 1000.00 -999 ? >GLN~D 47 11.48 54.27 -33.79 11.04 52.71 -35.19 11.26 53.49 -34.49 2 0 1000.00 -999 ? >THR.D 48 13.97 58.42 -36.41 15.98 58.74 -35.71 14.98 58.58 -36.06 2 0 1000.00 -999 ? >ARG.D 49 8.95 61.55 -39.23 7.78 64.39 -38.99 8.36 62.97 -39.11 2 0 1000.00 -999 ? >GLY.D 50 14.86 60.61 -42.40 14.74 59.79 -42.24 14.80 60.20 -42.32 1 0 1000.00 -999 ? >ASP.D 51 17.36 59.15 -46.23 15.75 58.98 -47.57 16.55 59.07 -46.90 2 0 1000.00 -999 ? >HIS.D 52 21.52 60.18 -44.20 22.03 60.24 -46.23 21.77 60.21 -45.21 3 0 1000.00 -999 ? >ALA.D 53 20.35 58.10 -38.86 21.29 57.05 -38.29 20.82 57.58 -38.58 2 0 1000.00 -999 ? >PHE.D 54 19.43 62.81 -34.92 19.99 65.16 -33.55 19.71 63.98 -34.24 3 0 1000.00 -999 ? >THR~D 55 23.85 60.61 -34.94 25.15 60.97 -36.63 24.50 60.79 -35.79 2 0 1000.00 -999 ? >VAL~D 56 25.33 61.31 -31.54 25.93 60.02 -29.86 25.63 60.67 -30.70 3 0 1000.00 -999 ? >ALA~D 57 27.73 63.78 -33.22 28.58 63.54 -34.47 28.16 63.66 -33.85 2 0 1000.00 -999 ? >GLN~D 58 22.92 66.55 -36.02 21.70 66.20 -37.74 22.31 66.37 -36.88 2 0 1000.00 -999 ? >HIS~D 59 22.39 64.52 -28.90 21.58 64.87 -27.00 21.98 64.69 -27.95 3 0 1000.00 -999 ? >CYH~D 60 26.33 66.97 -29.51 27.92 64.81 -28.67 27.12 65.89 -29.09 2 0 1000.00 -999 ? >LEU~D 61 26.38 69.76 -33.46 28.13 69.67 -34.71 27.26 69.72 -34.09 3 0 1000.00 -999 ? >ILE~D 62 21.49 69.96 -31.43 20.22 69.79 -32.10 20.86 69.88 -31.77 3 0 1000.00 -999 ? >VAL~D 63 23.40 70.37 -27.35 23.54 68.76 -25.90 23.47 69.56 -26.62 3 0 1000.00 -999 ? >GLU~D 64 28.85 73.42 -27.68 29.02 75.17 -28.87 28.93 74.29 -28.28 2 0 1000.00 -999 ? >THR~D 65 24.37 75.26 -29.46 23.78 75.52 -31.52 24.07 75.39 -30.49 2 0 1000.00 -999 ? >ILE~D 66 20.54 73.89 -26.77 19.28 73.23 -26.79 19.91 73.56 -26.78 3 0 1000.00 -999 ? >PHE~D 67 26.01 74.79 -22.74 27.68 75.57 -20.66 26.84 75.18 -21.70 3 0 1000.00 -999 ? >CYH~D 68 25.36 78.54 -25.40 27.76 77.97 -26.69 26.56 78.25 -26.05 2 0 1000.00 -999 ? >ARG~D 69 21.42 80.75 -28.80 18.93 82.25 -29.86 20.17 81.50 -29.33 2 0 1000.00 -999 ? >MET~D 70 20.75 78.94 -22.31 18.86 75.11 -22.13 19.81 77.03 -22.22 2 0 1000.00 -999 ? >CYH~D 71 24.06 80.04 -20.71 23.95 77.60 -19.30 24.00 78.82 -20.01 2 0 1000.00 -999 ? >PRO.D 72 23.42 84.34 -21.06 24.85 82.82 -21.91 24.13 83.58 -21.48 3 0 1000.00 -999 ? >GLY.D 73 28.20 83.62 -19.93 28.00 82.89 -20.25 28.10 83.26 -20.09 1 0 1000.00 -999 ? >ALA.D 74 29.57 80.21 -20.90 28.91 79.21 -21.85 29.24 79.71 -21.38 2 0 1000.00 -999 ? >THR~D 75 33.36 80.01 -21.13 34.13 79.50 -19.19 33.74 79.75 -20.16 2 0 1000.00 -999 ? >PRO~D 76 36.14 80.27 -24.47 34.89 78.67 -23.50 35.52 79.47 -23.98 3 0 1000.00 -999 ? >ASP~D 77 36.73 75.54 -20.16 38.84 75.83 -20.22 37.79 75.69 -20.19 2 0 1000.00 -999 ? >GLU~D 78 31.98 76.21 -18.55 30.85 77.68 -17.56 31.42 76.95 -18.06 2 0 1000.00 -999 ? >MET~D 79 31.42 74.94 -24.37 31.75 78.64 -26.39 31.58 76.79 -25.38 2 0 1000.00 -999 ? >GLN~D 80 36.16 71.16 -25.71 35.94 71.54 -27.80 36.05 71.35 -26.75 2 0 1000.00 -999 ? >MET~D 81 32.55 70.13 -22.02 34.26 70.57 -18.15 33.40 70.35 -20.09 2 0 1000.00 -999 ? >ALA~D 82 29.05 70.53 -23.53 28.29 71.83 -23.80 28.67 71.18 -23.67 2 0 1000.00 -999 ? >LEU~D 83 31.15 70.01 -27.94 31.29 69.87 -30.12 31.22 69.94 -29.03 3 0 1000.00 -999 ? >LEU~D 84 33.59 66.59 -25.05 35.21 66.91 -26.45 34.40 66.75 -25.75 3 0 1000.00 -999 ? >HIS.D 85 27.57 65.17 -21.44 26.68 63.94 -20.00 27.12 64.55 -20.72 3 0 1000.00 -999 ? >ASP.D 86 27.27 62.31 -25.91 25.47 62.66 -24.85 26.37 62.48 -25.38 2 0 1000.00 -999 ? >ALA.D 87 32.07 61.53 -26.20 33.33 62.36 -25.96 32.70 61.94 -26.08 2 0 1000.00 -999 ? >PRO~D 88 32.10 59.61 -22.16 32.17 59.02 -24.31 32.14 59.31 -23.24 3 0 1000.00 -999 ? >GLU~D 89 27.47 57.94 -25.81 25.49 58.35 -26.42 26.48 58.14 -26.12 2 0 1000.00 -999 ? >TYR~D 90 34.94 57.31 -28.93 37.54 57.46 -27.92 36.24 57.39 -28.42 3 0 1000.00 -999 ? >VAL~D 91 33.59 53.38 -26.85 35.61 53.09 -26.03 34.60 53.23 -26.44 3 0 1000.00 -999 ? >ILE~D 92 30.16 53.00 -23.42 30.28 53.98 -22.37 30.22 53.49 -22.90 3 0 1000.00 -999 ? >GLY~D 93 27.78 53.03 -27.51 27.85 53.50 -26.83 27.81 53.27 -27.17 1 0 1000.00 -999 ? >ASP.D 94 23.76 55.48 -28.35 22.33 56.89 -27.66 23.05 56.18 -28.00 2 0 1000.00 -999 ? >MET.D 95 21.83 53.53 -24.67 21.98 50.88 -21.33 21.90 52.21 -23.00 2 0 1000.00 -999 ? >ILE~D 96 17.10 54.80 -24.77 16.18 54.06 -25.50 16.64 54.43 -25.14 3 0 1000.00 -999 ? >SER~D 97 17.94 56.69 -20.67 18.21 59.07 -20.91 18.08 57.88 -20.79 2 0 1000.00 -999 ? >PRO~D 98 13.90 55.01 -21.18 15.69 54.71 -19.85 14.80 54.86 -20.52 3 0 1000.00 -999 ? >PHE~D 99 16.93 49.87 -21.83 14.75 48.43 -22.80 15.84 49.15 -22.31 3 0 1000.00 -999 ? >LYS~D 100 20.72 53.20 -18.38 23.19 58.04 -21.43 21.95 55.62 -19.90 2 0 1000.00 -999 ? >SER~D 101 18.56 52.97 -15.24 16.96 54.80 -15.42 17.76 53.89 -15.33 2 0 1000.00 -999 ? >VAL.D 102 18.53 49.16 -15.31 16.65 48.74 -16.38 17.59 48.95 -15.85 3 0 1000.00 -999 ? >VAL.D 103 21.79 48.13 -17.09 23.49 49.19 -18.05 22.64 48.66 -17.57 3 0 1000.00 -999 ? >GLY.D 104 23.61 47.87 -13.74 23.95 47.94 -14.48 23.78 47.91 -14.11 1 0 1000.00 -999 ? >GLY.D 105 26.99 46.19 -13.45 26.76 46.97 -13.34 26.88 46.58 -13.39 1 0 1000.00 -999 ? >GLY~D 106 30.01 48.39 -14.10 29.40 48.40 -14.63 29.70 48.39 -14.37 1 0 1000.00 -999 ? >TYR~D 107 26.69 50.97 -18.74 26.06 52.35 -21.08 26.38 51.66 -19.91 3 0 1000.00 -999 ? >LYS~D 108 28.04 53.80 -15.12 22.13 55.84 -13.95 25.09 54.82 -14.53 2 0 1000.00 -999 ? >THR~D 109 31.47 53.53 -13.48 31.47 51.78 -12.20 31.47 52.65 -12.84 2 0 1000.00 -999 ? >VAL~D 110 33.07 52.87 -16.89 33.39 51.13 -18.22 33.23 52.00 -17.55 3 0 1000.00 -999 ? >GLU~D 111 29.05 57.06 -19.13 26.94 56.98 -19.00 28.00 57.02 -19.06 2 0 1000.00 -999 ? >LYS~D 112 32.49 58.10 -15.59 32.68 59.78 -9.45 32.59 58.94 -12.52 2 0 1000.00 -999 ? >ARG~D 113 37.07 53.64 -14.36 36.83 51.20 -12.51 36.95 52.42 -13.44 2 0 1000.00 -999 ? >LEU~D 114 34.78 56.87 -20.83 35.17 54.97 -21.82 34.97 55.92 -21.32 3 0 1000.00 -999 ? >GLU~D 115 33.24 62.91 -17.97 31.45 63.40 -17.01 32.35 63.16 -17.49 2 0 1000.00 -999 ? >ALA~D 116 37.59 61.78 -17.11 37.97 61.12 -15.77 37.78 61.45 -16.44 2 0 1000.00 -999 ? >ALA~D 117 39.88 60.30 -19.77 39.85 58.89 -20.32 39.87 59.60 -20.05 2 0 1000.00 -999 ? >VAL~D 118 38.34 62.45 -22.50 36.61 62.31 -23.84 37.47 62.38 -23.17 3 0 1000.00 -999 ? >HIS~D 119 36.18 66.05 -19.26 34.12 66.41 -19.37 35.15 66.23 -19.32 3 0 1000.00 -999 ? >LEU~D 120 42.49 63.92 -18.33 42.48 63.93 -16.16 42.48 63.93 -17.25 3 0 1000.00 -999 ? >ARG~D 121 44.36 63.53 -25.46 45.40 65.64 -27.49 44.88 64.58 -26.47 2 0 1000.00 -999 ? >PHE~D 122 40.52 67.16 -25.51 40.37 65.30 -27.57 40.45 66.23 -26.54 3 0 1000.00 -999 ? >GLY.D 123 43.12 69.73 -20.43 42.34 69.55 -20.60 42.73 69.64 -20.52 1 0 1000.00 -999 ? >LEU.D 124 38.38 69.64 -19.81 37.58 70.73 -21.53 37.98 70.18 -20.67 3 0 1000.00 -999 ? >PRO.D 125 37.55 71.41 -15.36 38.68 69.59 -16.02 38.12 70.50 -15.69 3 0 1000.00 -999 ? >PRO.D 126 39.57 65.57 -13.20 38.33 66.17 -15.00 38.95 65.87 -14.10 3 0 1000.00 -999 ? >HIS.D 127 34.34 63.80 -13.21 34.88 61.81 -13.54 34.61 62.80 -13.38 3 0 1000.00 -999 ? >ALA.D 128 32.21 69.08 -14.77 31.03 69.18 -15.73 31.62 69.13 -15.25 2 0 1000.00 -999 ? >SER~D 129 31.07 70.75 -11.59 30.34 73.02 -12.11 30.70 71.89 -11.85 2 0 1000.00 -999 ? >ARG~D 130 25.86 69.14 -6.82 27.23 71.75 -5.78 26.55 70.44 -6.30 2 0 1000.00 -999 ? >GLU~D 131 25.96 75.48 -11.51 23.89 75.70 -11.11 24.93 75.59 -11.31 2 0 1000.00 -999 ? >LEU~D 132 29.36 72.87 -15.29 30.10 73.32 -17.29 29.73 73.10 -16.29 3 0 1000.00 -999 ? >LYS~D 133 26.74 69.19 -15.24 25.64 63.63 -12.52 26.19 66.41 -13.88 2 0 1000.00 -999 ? >ASP~D 134 22.72 71.02 -13.19 22.56 69.69 -11.56 22.64 70.35 -12.38 2 0 1000.00 -999 ? >ARG~D 135 22.69 75.83 -15.80 21.35 74.52 -13.34 22.02 75.17 -14.57 2 0 1000.00 -999 ? >ILE~D 136 26.08 70.03 -19.78 27.38 69.76 -20.36 26.73 69.90 -20.07 3 0 1000.00 -999 ? >LYS~D 137 22.04 68.16 -18.82 20.23 63.07 -19.23 21.13 65.61 -19.03 2 0 1000.00 -999 ? >LYS~D 138 19.34 70.81 -19.20 18.05 72.45 -14.15 18.69 71.63 -16.67 2 0 1000.00 -999 ? >ALA~D 139 20.62 71.56 -22.71 22.01 72.09 -23.06 21.31 71.83 -22.88 2 0 1000.00 -999 ? >ASP~D 140 21.45 66.77 -22.63 21.44 64.88 -23.51 21.45 65.82 -23.07 2 0 1000.00 -999 ? >THR~D 141 17.06 67.43 -22.24 16.27 67.04 -20.27 16.66 67.24 -21.26 2 0 1000.00 -999 ? >VAL~D 142 15.89 70.35 -24.40 15.81 72.53 -24.23 15.85 71.44 -24.31 3 0 1000.00 -999 ? >ALA~D 143 17.67 68.78 -27.39 19.15 68.43 -27.50 18.41 68.61 -27.45 2 0 1000.00 -999 ? >ALA~D 144 15.92 65.50 -26.56 16.05 64.72 -25.29 15.99 65.11 -25.93 2 0 1000.00 -999 ? >PHE~D 145 10.76 69.01 -26.04 8.21 69.87 -26.65 9.49 69.44 -26.35 3 0 1000.00 -999 ? >PHE~D 146 13.27 71.03 -29.91 12.13 73.39 -28.99 12.70 72.21 -29.45 3 0 1000.00 -999 ? >GLU~D 147 17.05 65.35 -31.14 18.70 64.66 -30.02 17.88 65.01 -30.58 2 0 1000.00 -999 ? >ALA~D 148 11.71 63.24 -29.76 11.32 63.21 -28.29 11.51 63.22 -29.03 2 0 1000.00 -999 ? >THR~D 149 8.98 65.31 -31.43 8.72 67.01 -30.12 8.85 66.16 -30.77 2 0 1000.00 -999 ? >GLU~D 150 11.36 68.66 -34.39 9.72 69.49 -35.40 10.54 69.08 -34.89 2 0 1000.00 -999 ? >LEU~D 151 13.86 62.91 -35.27 15.22 64.17 -36.37 14.54 63.54 -35.82 3 0 1000.00 -999 ? >ALA.D 152 11.51 60.02 -33.06 12.36 59.88 -31.80 11.93 59.95 -32.43 2 0 1000.00 -999 ? >GLY.D 153 7.70 59.87 -33.34 7.99 60.23 -32.70 7.85 60.05 -33.02 1 0 1000.00 -999 ? >PHE.D 154 8.47 60.17 -28.28 9.89 57.88 -27.49 9.18 59.03 -27.88 3 0 1000.00 -999 ? >SER~D 155 3.78 63.47 -29.37 2.46 62.86 -27.46 3.12 63.17 -28.41 2 0 1000.00 -999 ? >THR~D 156 4.18 66.85 -27.73 2.97 68.25 -28.84 3.58 67.55 -28.28 2 0 1000.00 -999 ? >ALA~D 157 2.40 65.38 -24.68 1.00 64.78 -24.66 1.70 65.08 -24.67 2 0 1000.00 -999 ? >GLU~D 158 4.03 60.37 -25.63 4.27 59.04 -27.24 4.15 59.71 -26.44 2 0 1000.00 -999 ? >ALA~D 159 7.85 64.78 -24.95 8.20 65.56 -26.20 8.02 65.17 -25.57 2 0 1000.00 -999 ? >GLN~D 160 5.02 68.90 -21.15 3.36 70.23 -21.32 4.19 69.56 -21.24 2 0 1000.00 -999 ? >LYS~D 161 6.06 64.35 -19.82 2.88 61.30 -16.54 4.47 62.82 -18.18 2 0 1000.00 -999 ? >PHE~D 162 8.75 60.77 -21.72 6.81 58.80 -22.10 7.78 59.78 -21.91 3 0 1000.00 -999 ? >PHE~D 163 12.40 64.60 -23.08 12.82 62.02 -24.09 12.61 63.31 -23.59 3 0 1000.00 -999 ? >GLY~D 164 9.63 68.99 -19.98 9.79 68.75 -20.76 9.71 68.87 -20.37 1 0 1000.00 -999 ? >LEU.D 165 7.35 72.77 -22.02 5.53 72.65 -23.17 6.44 72.71 -22.60 3 0 1000.00 -999 ? >PRO.D 166 11.64 72.78 -25.17 11.00 73.64 -23.27 11.32 73.21 -24.22 3 0 1000.00 -999 ? >ARG.D 167 13.32 75.47 -19.40 11.53 74.66 -16.99 12.43 75.06 -18.19 2 0 1000.00 -999 ? >GLY.D 168 12.77 79.68 -24.33 12.94 78.93 -24.53 12.85 79.30 -24.43 1 0 1000.00 -999 ? >ILE.D 169 15.37 76.26 -26.52 16.71 76.66 -26.86 16.04 76.46 -26.69 3 0 1000.00 -999 ? >THR~D 170 12.77 77.10 -30.23 12.09 79.13 -30.50 12.43 78.11 -30.36 2 0 1000.00 -999 ? >ARG~D 171 10.36 73.73 -35.46 7.97 71.84 -35.95 9.16 72.78 -35.70 2 0 1000.00 -999 ? >ASP~D 172 13.74 78.78 -35.77 13.33 80.02 -34.09 13.54 79.40 -34.93 2 0 1000.00 -999 ? >MET~D 173 17.73 77.81 -33.29 16.80 79.30 -29.46 17.26 78.56 -31.38 2 0 1000.00 -999 ? >PHE~D 174 18.50 73.33 -32.90 16.24 72.52 -31.52 17.37 72.93 -32.21 3 0 1000.00 -999 ? >ASP.D 175 20.14 72.35 -38.85 20.30 74.33 -39.54 20.22 73.34 -39.19 2 0 1000.00 -999 ? >ILE.D 176 16.42 68.93 -35.83 15.39 68.44 -35.09 15.90 68.69 -35.46 3 0 1000.00 -999 ? >ILE.D 177 17.03 67.73 -41.52 15.77 67.19 -41.89 16.40 67.46 -41.71 3 0 1000.00 -999 ? >PRO.D 178 17.57 62.86 -39.30 18.94 64.51 -39.93 18.25 63.69 -39.62 3 0 1000.00 -999 ? >LEU.D 179 24.04 65.42 -40.85 24.13 67.57 -40.71 24.09 66.49 -40.78 3 0 1000.00 -999 ? >PRO~D 180 24.42 63.08 -45.29 24.50 62.43 -43.14 24.46 62.75 -44.22 3 0 1000.00 -999 ? >SER~D 181 27.81 60.49 -41.23 27.27 58.19 -40.70 27.54 59.34 -40.96 2 0 1000.00 -999 ? >THR~D 182 30.54 62.24 -43.21 30.57 61.57 -45.22 30.56 61.91 -44.22 2 0 1000.00 -999 ? >GLU~D 183 27.32 67.61 -43.41 28.73 68.85 -44.43 28.02 68.23 -43.92 2 0 1000.00 -999 ? >ALA~D 184 28.10 65.11 -39.00 27.29 63.98 -38.35 27.70 64.54 -38.68 2 0 1000.00 -999 ? >GLN~D 185 33.87 62.70 -38.97 34.71 60.97 -39.89 34.29 61.83 -39.43 2 0 1000.00 -999 ? >ARG~D 186 33.01 69.06 -43.99 31.39 71.65 -43.72 32.20 70.35 -43.86 2 0 1000.00 -999 ? >LEU~D 187 29.29 69.79 -38.72 28.33 70.90 -40.36 28.81 70.34 -39.54 3 0 1000.00 -999 ? >PHE~D 188 31.78 66.24 -33.45 32.49 65.58 -30.83 32.14 65.91 -32.14 3 0 1000.00 -999 ? >ILE~D 189 36.23 67.63 -36.89 37.23 66.73 -37.32 36.73 67.18 -37.11 3 0 1000.00 -999 ? >ALA~D 190 34.96 71.96 -37.05 34.11 72.41 -38.21 34.54 72.19 -37.63 2 0 1000.00 -999 ? >ARG~D 191 31.16 74.90 -32.58 31.21 77.49 -30.91 31.18 76.20 -31.74 2 0 1000.00 -999 ? >PHE~D 192 37.21 69.46 -30.95 39.50 68.86 -29.50 38.36 69.16 -30.22 3 0 1000.00 -999 ? >GLU~D 193 39.47 71.48 -35.11 40.07 71.04 -37.10 39.77 71.26 -36.10 2 0 1000.00 -999 ? >ALA~D 194 36.62 76.42 -33.20 35.24 76.74 -33.75 35.93 76.58 -33.47 2 0 1000.00 -999 ? >ILE~D 195 35.21 74.96 -28.74 34.08 74.58 -27.99 34.65 74.77 -28.36 3 0 1000.00 -999 ? >GLU~D 196 40.16 72.41 -29.26 40.74 72.20 -27.27 40.45 72.30 -28.26 2 0 1000.00 -999 ? >THR~D 197 40.87 78.14 -30.76 41.11 78.71 -32.83 40.99 78.42 -31.80 2 0 1000.00 -999 ? >LEU~D 198 37.24 80.14 -28.14 35.85 81.22 -29.36 36.55 80.68 -28.75 3 0 1000.00 -999 ? >ARG~D 199 38.85 74.63 -24.72 40.63 72.64 -23.17 39.74 73.64 -23.95 2 0 1000.00 -999 ? >VAL~D 200 43.82 78.97 -26.18 45.32 77.98 -27.46 44.57 78.48 -26.82 3 0 1000.00 -999 ? >THR~D 201 43.39 82.51 -27.15 42.14 82.56 -28.90 42.77 82.54 -28.02 2 0 1000.00 -999 ? >ARG~D 202 38.18 82.92 -21.94 35.45 84.32 -22.38 36.82 83.62 -22.16 2 0 1000.00 -999 ? >THR~D 203 44.19 81.70 -21.85 44.59 79.67 -21.18 44.39 80.68 -21.52 2 0 1000.00 -999 ? >GLY~D 204 47.08 83.20 -23.85 46.34 83.56 -23.78 46.71 83.38 -23.81 1 0 1000.00 -999 ?