REMARK SOURCE hebe.pdb HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 29-JUL-01 1JOG COMPND HYPOTHETICAL PROTEIN HI0074; COMPND 3 CHAIN: A, B, C, D; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: HAEMOPHILUS INFLUENZAE; SOURCE 3 ORGANISM_TAXID: 727; SOURCE 4 GENE: HI0074; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 6 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 7 EXPRESSION_SYSTEM_STRAIN: B834(DE3); SOURCE 8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 9 EXPRESSION_SYSTEM_PLASMID: PRE1 AUTHOR C.LEHMANN,K.LIM,O.HERZBERG,STRUCTURE 2 FUNCTION PROJECT AUTHOR 2 (S2F) HET MSE A 33 8 HET MSE A 60 8 HET MSE A 61 8 HET MSE A 96 8 HET MSE A 105 8 HET MSE A 119 8 HET MSE B 33 8 HET MSE B 60 8 HET MSE B 61 8 HET MSE B 96 8 HET MSE B 105 8 HET MSE B 119 8 HET MSE C 33 8 HET MSE C 60 8 HET MSE C 61 8 HET MSE C 96 8 HET MSE C 105 8 HET MSE C 119 8 HET MSE D 33 8 HET MSE D 60 8 HET MSE D 61 8 HET MSE D 96 8 HET MSE D 105 8 HET MSE D 119 8 >ASN~A 7 -8.76 0.64 44.06 -7.09 0.95 42.75 -7.92 0.80 43.40 2 0 1000.00 -999 ? >LEU~A 8 -7.03 4.41 48.24 -5.96 6.34 48.25 -6.49 5.37 48.24 3 0 1000.00 -999 ? >ASN~A 9 -5.76 -0.73 49.75 -6.37 -0.40 51.78 -6.07 -0.56 50.77 2 0 1000.00 -999 ? >VAL~A 10 -2.90 -0.65 46.25 -4.30 -0.86 44.59 -3.60 -0.75 45.42 3 0 1000.00 -999 ? >LEU~A 11 -2.00 4.05 45.48 -0.84 5.78 44.92 -1.42 4.91 45.20 3 0 1000.00 -999 ? >ASP~A 12 -1.91 2.74 50.53 -1.35 3.61 52.41 -1.63 3.18 51.47 2 0 1000.00 -999 ? >ALA~A 13 0.73 -0.66 49.67 -0.09 -1.99 49.73 0.32 -1.32 49.70 2 0 1000.00 -999 ? >ALA~A 14 2.95 -0.28 46.54 2.48 0.08 45.13 2.72 -0.10 45.83 2 0 1000.00 -999 ? >PHE~A 15 4.13 5.16 49.26 5.64 7.10 50.69 4.88 6.13 49.97 3 0 1000.00 -999 ? >TYR~A 16 4.30 0.32 53.49 4.94 -1.03 55.82 4.62 -0.35 54.65 3 0 1000.00 -999 ? >SER~A 17 6.53 -1.63 49.80 6.83 -3.59 48.40 6.68 -2.61 49.10 2 0 1000.00 -999 ? >LEU~A 18 8.51 1.92 46.90 9.90 2.88 45.54 9.21 2.40 46.22 3 0 1000.00 -999 ? >GLU~A 19 9.40 4.28 52.81 7.99 5.75 53.55 8.69 5.01 53.18 2 0 1000.00 -999 ? >GLN~A 20 8.51 -0.97 54.23 9.54 -0.61 56.09 9.02 -0.79 55.16 2 0 1000.00 -999 ? >THR~A 21 12.70 -1.67 49.81 12.35 -2.34 47.82 12.53 -2.00 48.81 2 0 1000.00 -999 ? >VAL~A 22 14.61 1.52 49.97 14.45 3.46 49.11 14.53 2.49 49.54 3 0 1000.00 -999 ? >VAL~A 23 15.11 1.09 53.74 14.13 1.30 55.67 14.62 1.20 54.71 3 0 1000.00 -999 ? >GLN~A 24 15.46 -4.38 53.81 16.53 -4.66 55.61 15.99 -4.52 54.71 2 0 1000.00 -999 ? >ILE~A 25 18.50 -0.45 49.20 18.54 -0.50 47.68 18.52 -0.48 48.44 3 0 1000.00 -999 ? >SER~A 26 20.18 1.94 52.73 18.50 3.51 52.09 19.34 2.73 52.41 2 0 1000.00 -999 ? >ASP~A 27 20.48 -1.72 55.90 21.33 -2.76 57.52 20.91 -2.24 56.71 2 0 1000.00 -999 ? >ARG~A 28 25.81 2.47 52.16 28.17 4.34 51.43 26.99 3.41 51.80 2 0 1000.00 -999 ? >ASN~A 29 26.07 -2.73 58.06 27.66 -1.78 59.06 26.86 -2.26 58.56 2 0 1000.00 -999 ? >TRP~A 30 21.57 -7.74 55.88 19.78 -7.46 52.41 20.68 -7.60 54.15 3 0 1000.00 -999 ? >PHE~A 31 23.00 -3.08 49.65 22.77 -2.83 46.92 22.89 -2.96 48.28 3 0 1000.00 -999 ? >ASP~A 32 28.47 -3.34 52.24 28.17 -1.29 51.90 28.32 -2.32 52.07 2 0 1000.00 -999 ? >MET?A 33 27.78 -7.90 52.58 27.07 -8.40 56.84 27.42 -8.15 54.71 2 0 1000.00 -999 ? >GLN.A 34 23.19 -8.26 50.82 22.99 -9.65 52.40 23.09 -8.96 51.61 2 0 1000.00 -999 ? >PRO~A 35 25.10 -12.91 47.46 26.15 -10.97 47.61 25.62 -11.94 47.54 3 0 1000.00 -999 ? >SER~A 36 26.97 -8.96 43.85 28.37 -8.23 42.03 27.67 -8.60 42.94 2 0 1000.00 -999 ? >ILE~A 37 23.76 -11.81 41.50 23.10 -11.87 40.88 23.43 -11.84 41.19 3 0 1000.00 -999 ? >VAL~A 38 21.75 -9.76 45.27 21.42 -10.77 47.20 21.59 -10.27 46.24 3 0 1000.00 -999 ? >GLN~A 39 24.95 -5.70 46.78 26.87 -4.77 46.88 25.91 -5.23 46.83 2 0 1000.00 -999 ? >ASP~A 40 22.67 -5.39 40.62 22.64 -7.23 39.62 22.66 -6.31 40.12 2 0 1000.00 -999 ? >THR~A 41 18.72 -7.52 41.68 18.08 -9.55 41.65 18.40 -8.53 41.67 2 0 1000.00 -999 ? >LEU~A 42 18.32 -5.31 45.96 17.69 -6.35 47.70 18.00 -5.83 46.83 3 0 1000.00 -999 ? >ILE~A 43 19.63 -1.64 42.34 20.56 -0.45 42.22 20.10 -1.04 42.28 3 0 1000.00 -999 ? >ALA~A 44 16.55 -3.71 39.73 16.82 -5.09 39.19 16.69 -4.40 39.46 2 0 1000.00 -999 ? >GLY~A 45 13.57 -4.50 42.03 13.94 -3.80 41.98 13.76 -4.15 42.00 1 0 1000.00 -999 ? >ALA~A 46 13.42 -1.07 43.70 14.56 -0.39 44.42 13.99 -0.73 44.06 2 0 1000.00 -999 ? >ILE~A 47 14.43 0.28 39.09 15.41 1.20 38.09 14.92 0.74 38.59 3 0 1000.00 -999 ? >GLN~A 48 9.20 -4.09 39.00 9.16 -4.70 37.00 9.18 -4.39 38.00 2 0 1000.00 -999 ? >LYS~A 49 8.69 -0.84 42.35 9.11 -4.41 47.43 8.90 -2.62 44.89 2 0 1000.00 -999 ? >PHE~A 50 10.48 4.66 40.30 9.92 6.81 38.55 10.20 5.73 39.42 3 0 1000.00 -999 ? >GLU~A 51 9.36 1.38 36.58 9.91 -0.27 35.33 9.63 0.55 35.95 2 0 1000.00 -999 ? >PHE~A 52 4.88 -1.79 40.54 5.86 -4.38 39.65 5.37 -3.09 40.10 3 0 1000.00 -999 ? >VAL~A 53 3.92 3.76 42.28 4.57 4.24 44.24 4.25 4.00 43.26 3 0 1000.00 -999 ? >TYR~A 54 5.37 6.85 37.21 4.62 8.42 35.04 4.99 7.63 36.12 3 0 1000.00 -999 ? >GLU~A 55 1.77 2.80 35.23 3.64 2.83 34.26 2.71 2.82 34.74 2 0 1000.00 -999 ? >LEU~A 56 -0.38 2.97 41.29 -0.13 0.75 41.15 -0.26 1.86 41.22 3 0 1000.00 -999 ? >SER~A 57 -0.10 7.45 41.26 1.87 7.71 42.73 0.88 7.58 41.99 2 0 1000.00 -999 ? >LEU~A 58 -0.27 8.64 36.52 0.93 10.38 36.11 0.33 9.51 36.32 3 0 1000.00 -999 ? >LYS~A 59 -3.98 6.15 37.61 -1.66 1.07 35.31 -2.82 3.61 36.46 2 0 1000.00 -999 ? >MET?A 60 -5.29 7.67 40.88 -6.32 5.37 43.07 -5.81 6.52 41.97 2 0 1000.00 -999 ? >MET?A 61 -4.98 11.25 39.78 -1.17 13.07 39.04 -3.07 12.16 39.41 2 0 1000.00 -999 ? >LYS~A 62 -6.91 10.08 36.74 -7.06 7.36 31.00 -6.99 8.72 33.87 2 0 1000.00 -999 ? >ARG~A 63 -10.29 4.61 39.53 -9.60 3.18 42.11 -9.94 3.90 40.82 2 0 1000.00 -999 ? >GLN~A 64 -8.99 12.98 42.59 -10.07 12.38 44.30 -9.53 12.68 43.45 2 0 1000.00 -999 ? >LEU~A 65 -9.37 14.27 37.21 -7.76 15.56 38.01 -8.57 14.91 37.61 3 0 1000.00 -999 ? >GLN~A 66 -12.66 9.05 34.85 -11.31 7.51 34.21 -11.99 8.28 34.53 2 0 1000.00 -999 ? >GLN~A 67 -14.29 8.31 40.13 -13.98 7.15 41.94 -14.13 7.73 41.03 2 0 1000.00 -999 ? >ASP~A 68 -13.19 14.94 40.94 -12.94 15.84 42.87 -13.06 15.39 41.90 2 0 1000.00 -999 ? >ALA~A 69 -16.41 16.83 39.03 -15.77 18.23 38.85 -16.09 17.53 38.94 2 0 1000.00 -999 ? >ILE.A 70 -15.30 14.32 35.05 -14.74 13.78 33.65 -15.02 14.05 34.35 3 0 1000.00 -999 ? >ASN.A 71 -21.04 14.49 33.81 -21.99 15.81 35.19 -21.52 15.15 34.50 2 0 1000.00 -999 ? >THR.A 72 -17.67 10.88 33.35 -17.79 8.84 34.19 -17.73 9.86 33.77 2 0 1000.00 -999 ? >ASP.A 73 -16.29 14.29 30.30 -18.01 15.37 30.92 -17.15 14.83 30.61 2 0 1000.00 -999 ? >ASP.A 74 -14.76 9.39 27.47 -13.48 7.75 26.76 -14.12 8.57 27.11 2 0 1000.00 -999 ? >ILE.A 75 -10.75 11.65 31.68 -10.19 12.56 32.71 -10.47 12.10 32.20 3 0 1000.00 -999 ? >GLY.A 76 -9.51 9.85 27.20 -9.65 10.78 27.29 -9.58 10.32 27.25 1 0 1000.00 -999 ? >ALA.A 77 -9.21 13.20 25.52 -10.26 14.30 25.50 -9.73 13.75 25.51 2 0 1000.00 -999 ? >TYR.A 78 -8.07 14.67 30.24 -9.89 16.56 31.11 -8.98 15.61 30.67 3 0 1000.00 -999 ? >GLY~A 79 -3.03 12.79 28.08 -3.31 13.30 28.72 -3.17 13.05 28.40 1 0 1000.00 -999 ? >PHE~A 80 2.09 12.68 31.45 3.81 12.81 33.66 2.95 12.75 32.55 3 0 1000.00 -999 ? >LYS~A 81 -0.06 16.68 31.00 5.01 19.00 29.82 2.48 17.84 30.41 2 0 1000.00 -999 ? >ASP~A 82 -4.84 16.83 30.22 -4.66 17.72 28.34 -4.75 17.27 29.28 2 0 1000.00 -999 ? >ILE~A 83 -3.44 13.36 33.96 -4.56 12.48 34.36 -4.00 12.92 34.16 3 0 1000.00 -999 ? >LEU~A 84 0.39 16.85 35.28 1.84 15.29 35.51 1.12 16.07 35.40 3 0 1000.00 -999 ? >ARG~A 85 -2.08 21.72 31.72 -0.91 20.93 29.04 -1.49 21.32 30.38 2 0 1000.00 -999 ? >GLU~A 86 -8.04 18.43 35.12 -7.46 19.74 33.54 -7.75 19.09 34.33 2 0 1000.00 -999 ? >ALA~A 87 -4.30 17.32 39.51 -3.16 16.24 39.40 -3.73 16.78 39.46 2 0 1000.00 -999 ? >LEU~A 88 -1.66 21.52 39.30 0.08 22.85 39.82 -0.79 22.18 39.56 3 0 1000.00 -999 ? >ARG~A 89 -8.50 24.02 37.62 -11.01 23.41 35.86 -9.76 23.72 36.74 2 0 1000.00 -999 ? >PHE~A 90 -8.73 18.62 41.39 -10.82 18.48 39.44 -9.78 18.55 40.41 3 0 1000.00 -999 ? >GLY.A 91 -3.86 20.56 44.74 -4.18 19.85 44.37 -4.02 20.20 44.55 1 0 1000.00 -999 ? >LEU.A 92 -3.88 15.86 43.32 -5.71 14.59 43.53 -4.79 15.23 43.43 3 0 1000.00 -999 ? >ILE.A 93 1.00 17.04 42.03 0.92 16.59 40.72 0.96 16.81 41.37 3 0 1000.00 -999 ? >GLY.A 94 2.10 20.81 43.90 2.47 20.36 43.31 2.29 20.59 43.60 1 0 1000.00 -999 ? >ASP~A 95 6.24 20.80 41.90 7.73 21.66 40.67 6.99 21.23 41.29 2 0 1000.00 -999 ? >MET?A 96 4.24 19.22 37.91 1.38 21.21 35.09 2.81 20.22 36.50 2 0 1000.00 -999 ? >SER~A 97 7.79 19.80 36.60 8.88 21.09 38.28 8.33 20.44 37.44 2 0 1000.00 -999 ? >LYS~A 98 8.65 16.96 38.95 8.93 20.18 43.06 8.79 18.57 41.00 2 0 1000.00 -999 ? >TRP~A 99 4.00 15.40 40.28 3.80 11.66 41.40 3.90 13.53 40.84 3 0 1000.00 -999 ? >VAL~A 100 7.07 15.46 34.19 6.85 17.11 32.81 6.96 16.28 33.50 3 0 1000.00 -999 ? >ALA~A 101 10.56 14.42 35.21 11.48 15.20 36.24 11.02 14.81 35.72 2 0 1000.00 -999 ? >TYR~A 102 8.60 11.78 39.25 9.41 13.03 41.58 9.01 12.41 40.42 3 0 1000.00 -999 ? >ARG~A 103 5.29 10.56 30.65 4.53 12.63 28.59 4.91 11.59 29.62 2 0 1000.00 -999 ? >ASP~A 104 12.03 12.20 31.57 11.00 13.93 30.65 11.51 13.07 31.11 2 0 1000.00 -999 ? >MET?A 105 12.69 8.73 34.42 13.13 9.21 38.60 12.91 8.97 36.51 2 0 1000.00 -999 ? >ARG~A 106 6.73 4.28 34.02 7.52 1.76 32.48 7.12 3.02 33.25 2 0 1000.00 -999 ? >ASN~A 107 10.33 7.26 29.06 8.24 7.98 29.01 9.28 7.62 29.03 2 0 1000.00 -999 ? >ILE~A 108 15.39 6.29 30.78 15.69 7.66 31.13 15.54 6.98 30.95 3 0 1000.00 -999 ? >THR~A 109 13.87 2.43 33.06 12.08 2.64 34.17 12.97 2.53 33.62 2 0 1000.00 -999 ? >SER~A 110 13.80 0.02 30.06 13.43 1.16 27.85 13.61 0.59 28.95 2 0 1000.00 -999 ? >HIS~A 111 17.36 2.73 27.98 16.30 3.13 26.22 16.83 2.93 27.10 3 0 1000.00 -999 ? >THR~A 112 18.14 -0.05 33.32 17.12 0.14 35.29 17.63 0.04 34.31 2 0 1000.00 -999 ? >TYR.A 113 19.70 -3.34 29.76 19.75 -1.79 27.43 19.73 -2.57 28.59 3 0 1000.00 -999 ? >ASP~A 114 23.10 0.20 31.14 25.10 1.00 31.04 24.10 0.60 31.09 2 0 1000.00 -999 ? >GLN~A 115 24.89 -2.96 36.59 23.14 -2.99 37.86 24.02 -2.98 37.23 2 0 1000.00 -999 ? >GLU~A 116 27.57 3.11 34.97 28.00 3.26 37.03 27.79 3.19 36.00 2 0 1000.00 -999 ? >LYS~A 117 21.78 4.01 34.19 21.26 4.05 27.82 21.52 4.03 31.00 2 0 1000.00 -999 ? >ALA~A 118 20.22 1.91 36.90 20.39 0.36 37.07 20.30 1.14 36.99 2 0 1000.00 -999 ? >MET?A 119 22.21 3.65 39.70 23.90 1.42 41.48 23.06 2.54 40.59 2 0 1000.00 -999 ? >ALA~A 120 21.26 7.02 38.25 21.58 7.48 36.84 21.42 7.25 37.54 2 0 1000.00 -999 ? >VAL~A 121 17.56 6.18 38.35 16.09 5.32 36.95 16.83 5.75 37.65 3 0 1000.00 -999 ? >TYR~A 122 18.41 3.04 43.65 17.89 2.43 46.40 18.15 2.73 45.03 3 0 1000.00 -999 ? >ALA~A 123 19.44 7.75 43.22 20.69 8.41 42.56 20.07 8.08 42.89 2 0 1000.00 -999 ? >GLN~A 124 17.01 10.44 39.76 16.50 10.57 37.63 16.76 10.51 38.70 2 0 1000.00 -999 ? >ILE~A 125 14.17 5.96 44.46 13.76 4.62 44.25 13.96 5.29 44.36 3 0 1000.00 -999 ? >ASP~A 126 15.61 9.96 48.12 17.02 8.51 48.60 16.32 9.24 48.36 2 0 1000.00 -999 ? >ASP~A 127 13.41 13.39 44.92 11.96 14.80 44.07 12.69 14.10 44.49 2 0 1000.00 -999 ? >PHE~A 128 9.06 8.59 42.98 6.57 7.61 42.09 7.81 8.10 42.54 3 0 1000.00 -999 ? >LEU~A 129 10.03 8.35 48.66 10.06 6.17 48.61 10.04 7.26 48.63 3 0 1000.00 -999 ? >ILE~A 130 9.68 13.81 49.07 10.54 14.46 49.50 10.11 14.13 49.29 3 0 1000.00 -999 ? >GLU~A 131 7.86 15.25 44.47 7.10 17.00 45.40 7.48 16.12 44.94 2 0 1000.00 -999 ? >SER~A 132 4.64 10.54 45.68 6.15 8.65 46.30 5.40 9.60 45.99 2 0 1000.00 -999 ? >SER~A 133 3.93 10.56 49.41 4.32 10.60 51.79 4.12 10.58 50.60 2 0 1000.00 -999 ? >PHE~A 134 3.83 16.21 49.74 5.35 17.86 51.50 4.59 17.04 50.62 3 0 1000.00 -999 ? >LEU~A 135 0.54 12.28 45.20 -0.81 11.60 43.64 -0.13 11.94 44.42 3 0 1000.00 -999 ? >LEU~A 136 -0.09 8.96 49.01 -0.36 7.09 49.93 -0.23 8.02 49.47 3 0 1000.00 -999 ? >GLU~A 137 0.05 13.23 53.11 0.07 11.12 53.39 0.06 12.17 53.25 2 0 1000.00 -999 ? >GLN~A 138 -2.58 16.61 48.40 -3.31 18.06 49.77 -2.95 17.34 49.09 2 0 1000.00 -999 ? >LEU~A 139 -5.21 10.56 47.06 -4.74 10.68 44.99 -4.98 10.62 46.03 3 0 1000.00 -999 ? >ARG~A 140 -4.05 8.93 54.60 -0.94 8.99 54.37 -2.49 8.96 54.49 2 0 1000.00 -999 ? >GLN~A 141 -7.15 14.78 53.29 -6.03 16.61 53.18 -6.59 15.69 53.24 2 0 1000.00 -999 ? >ASN~B 7 24.17 -4.48 19.83 23.20 -2.61 20.07 23.68 -3.55 19.95 2 0 1000.00 -999 ? >LEU~B 8 24.94 -9.60 19.87 24.14 -11.61 19.60 24.54 -10.61 19.74 3 0 1000.00 -999 ? >ASN~B 9 28.09 -7.47 24.11 29.58 -7.86 22.65 28.84 -7.66 23.38 2 0 1000.00 -999 ? >VAL~B 10 24.28 -6.45 25.84 23.54 -4.41 25.82 23.91 -5.43 25.83 3 0 1000.00 -999 ? >LEU~B 11 20.97 -9.48 24.08 19.23 -10.72 23.97 20.10 -10.10 24.03 3 0 1000.00 -999 ? >ASP~B 12 25.55 -11.64 25.58 26.23 -13.59 25.54 25.89 -12.62 25.56 2 0 1000.00 -999 ? >ALA~B 13 25.13 -9.59 29.57 25.70 -8.16 29.67 25.42 -8.87 29.62 2 0 1000.00 -999 ? >ALA~B 14 21.42 -9.17 30.31 20.39 -8.32 29.52 20.90 -8.74 29.91 2 0 1000.00 -999 ? >PHE~B 15 20.77 -15.29 28.67 20.07 -17.98 29.17 20.42 -16.63 28.92 3 0 1000.00 -999 ? >TYR~B 16 25.76 -14.24 33.02 27.65 -15.35 34.79 26.70 -14.79 33.91 3 0 1000.00 -999 ? >SER~B 17 22.36 -11.43 34.91 21.76 -9.23 35.84 22.06 -10.33 35.37 2 0 1000.00 -999 ? >LEU~B 18 17.84 -13.02 33.45 15.74 -13.48 33.90 16.79 -13.25 33.67 3 0 1000.00 -999 ? >GLU~B 19 21.83 -18.26 34.15 22.88 -19.12 32.56 22.36 -18.69 33.35 2 0 1000.00 -999 ? >GLN~B 20 24.76 -14.75 37.15 26.27 -13.55 38.14 25.51 -14.15 37.65 2 0 1000.00 -999 ? >THR~B 21 19.50 -13.92 39.46 18.50 -12.00 39.33 19.00 -12.96 39.40 2 0 1000.00 -999 ? >VAL~B 22 17.27 -17.03 39.20 16.99 -17.56 37.13 17.13 -17.29 38.16 3 0 1000.00 -999 ? >VAL~B 23 20.13 -19.03 40.55 22.10 -19.65 39.67 21.11 -19.34 40.11 3 0 1000.00 -999 ? >GLN~B 24 22.26 -15.38 44.26 22.81 -15.72 46.27 22.54 -15.55 45.26 2 0 1000.00 -999 ? >ILE~B 25 15.57 -16.42 43.31 14.59 -15.51 43.01 15.08 -15.97 43.16 3 0 1000.00 -999 ? >SER~B 26 16.72 -20.81 43.53 16.67 -21.18 41.10 16.69 -20.99 42.32 2 0 1000.00 -999 ? >ASP~B 27 20.47 -20.64 46.60 21.48 -21.15 48.43 20.97 -20.89 47.52 2 0 1000.00 -999 ? >ARG~B 28 13.98 -24.21 46.36 11.32 -25.00 47.70 12.65 -24.61 47.03 2 0 1000.00 -999 ? >ASN~B 29 19.64 -22.93 51.83 19.57 -24.35 53.39 19.61 -23.64 52.61 2 0 1000.00 -999 ? >TRP~B 30 21.97 -16.24 51.40 19.80 -13.75 49.24 20.89 -14.99 50.32 3 0 1000.00 -999 ? >PHE~B 31 14.66 -16.85 48.12 12.85 -14.98 47.01 13.76 -15.91 47.57 3 0 1000.00 -999 ? >ASP~B 32 13.52 -20.06 53.00 12.59 -20.82 51.29 13.05 -20.44 52.14 2 0 1000.00 -999 ? >MET?B 33 16.24 -17.20 55.47 19.43 -19.15 56.47 17.83 -18.18 55.97 2 0 1000.00 -999 ? >GLN~B 34 17.26 -13.69 51.97 19.07 -13.44 53.07 18.17 -13.57 52.52 2 0 1000.00 -999 ? >PRO~B 35 15.14 -10.00 56.37 13.91 -11.48 55.27 14.52 -10.74 55.82 3 0 1000.00 -999 ? >SER~B 36 10.11 -11.12 53.35 7.79 -10.44 53.02 8.95 -10.78 53.19 2 0 1000.00 -999 ? >ILE~B 37 10.93 -6.30 52.61 11.60 -4.99 52.76 11.26 -5.64 52.69 3 0 1000.00 -999 ? >VAL~B 38 14.24 -8.88 50.55 16.15 -9.32 51.33 15.20 -9.10 50.94 3 0 1000.00 -999 ? >GLN~B 39 12.29 -13.84 50.61 11.05 -15.37 51.56 11.67 -14.61 51.08 2 0 1000.00 -999 ? >ASP~B 40 8.46 -9.35 47.76 8.54 -7.41 48.46 8.50 -8.38 48.11 2 0 1000.00 -999 ? >THR~B 41 12.32 -7.27 45.99 13.14 -5.54 46.92 12.73 -6.41 46.46 2 0 1000.00 -999 ? >LEU~B 42 15.13 -11.19 45.09 16.96 -10.94 46.26 16.05 -11.07 45.68 3 0 1000.00 -999 ? >ILE~B 43 9.86 -11.84 43.26 9.66 -12.65 43.73 9.76 -12.25 43.49 3 0 1000.00 -999 ? >ALA~B 44 10.50 -7.86 41.31 10.18 -6.66 42.24 10.34 -7.26 41.77 2 0 1000.00 -999 ? >GLY~B 45 14.16 -7.36 40.27 13.60 -8.03 40.13 13.88 -7.69 40.20 1 0 1000.00 -999 ? >ALA~B 46 13.90 -10.73 38.50 13.69 -12.08 39.14 13.80 -11.41 38.82 2 0 1000.00 -999 ? >ILE~B 47 9.34 -9.35 37.35 8.10 -9.60 37.57 8.72 -9.47 37.46 3 0 1000.00 -999 ? >GLN~B 48 13.70 -4.31 35.77 12.34 -2.66 35.59 13.02 -3.49 35.68 2 0 1000.00 -999 ? >LYS~B 49 15.47 -8.52 34.36 20.46 -9.35 38.11 17.97 -8.93 36.23 2 0 1000.00 -999 ? >PHE~B 50 10.69 -11.59 32.11 8.67 -11.97 30.22 9.68 -11.78 31.17 3 0 1000.00 -999 ? >GLU~B 51 9.72 -6.71 32.21 8.93 -5.04 33.24 9.33 -5.88 32.72 2 0 1000.00 -999 ? >PHE~B 52 16.15 -5.21 31.45 16.06 -2.95 33.08 16.10 -4.08 32.27 3 0 1000.00 -999 ? >VAL~B 53 15.98 -9.96 28.01 16.77 -11.69 28.92 16.38 -10.83 28.46 3 0 1000.00 -999 ? >TYR~B 54 10.02 -9.98 26.27 7.99 -9.72 24.43 9.01 -9.85 25.35 3 0 1000.00 -999 ? >GLU~B 55 11.57 -4.30 25.35 9.62 -5.02 25.04 10.59 -4.66 25.19 2 0 1000.00 -999 ? >LEU~B 56 17.53 -7.15 24.95 18.53 -5.36 25.72 18.03 -6.25 25.33 3 0 1000.00 -999 ? >SER~B 57 15.54 -10.31 22.40 15.79 -12.20 23.87 15.66 -11.26 23.13 2 0 1000.00 -999 ? >LEU~B 58 11.57 -8.09 20.64 9.61 -8.91 20.38 10.59 -8.50 20.51 3 0 1000.00 -999 ? >LYS~B 59 15.10 -6.09 19.01 14.88 -2.16 23.61 14.99 -4.13 21.31 2 0 1000.00 -999 ? >MET?B 60 18.04 -8.35 18.23 20.77 -6.99 19.18 19.40 -7.67 18.70 2 0 1000.00 -999 ? >MET?B 61 15.59 -10.77 16.59 11.95 -12.97 17.47 13.77 -11.87 17.03 2 0 1000.00 -999 ? >LYS~B 62 14.02 -7.90 14.54 9.82 -2.95 14.40 11.92 -5.43 14.47 2 0 1000.00 -999 ? >ARG~B 63 20.86 -5.37 14.94 23.51 -6.89 15.62 22.19 -6.13 15.28 2 0 1000.00 -999 ? >GLN~B 64 19.55 -12.69 12.34 21.51 -11.99 11.76 20.53 -12.34 12.05 2 0 1000.00 -999 ? >LEU~B 65 13.98 -10.34 11.06 13.06 -12.16 11.82 13.52 -11.25 11.44 3 0 1000.00 -999 ? >GLN~B 66 14.66 -5.41 9.94 14.68 -3.62 11.13 14.67 -4.51 10.54 2 0 1000.00 -999 ? >GLN~B 67 21.23 -7.30 9.40 22.28 -7.71 11.21 21.76 -7.51 10.30 2 0 1000.00 -999 ? >ASP~B 68 18.05 -12.68 6.91 19.59 -13.10 8.22 18.82 -12.89 7.56 2 0 1000.00 -999 ? >ALA~B 69 15.20 -10.21 4.31 14.04 -9.61 5.02 14.62 -9.91 4.67 2 0 1000.00 -999 ? >ILE.B 70 13.11 -9.97 0.13 12.63 -10.81 -1.01 12.87 -10.39 -0.44 3 0 1000.00 -999 ? >ASN.B 71 12.32 -5.40 1.43 10.43 -6.36 1.70 11.37 -5.88 1.56 2 0 1000.00 -999 ? >THR.B 72 12.77 -4.20 5.71 14.47 -3.40 6.83 13.62 -3.80 6.27 2 0 1000.00 -999 ? >ASP.B 73 9.35 -1.86 3.01 10.07 0.14 2.76 9.71 -0.86 2.89 2 0 1000.00 -999 ? >ASP.B 74 8.18 -7.02 4.24 7.02 -7.77 2.66 7.60 -7.39 3.45 2 0 1000.00 -999 ? >ILE.B 75 7.45 -7.97 8.98 6.51 -9.00 9.32 6.98 -8.48 9.15 3 0 1000.00 -999 ? >GLY.B 76 9.41 -4.07 10.75 8.51 -3.90 10.51 8.96 -3.99 10.63 1 0 1000.00 -999 ? >ALA.B 77 6.30 -1.91 10.63 6.19 -0.92 9.45 6.24 -1.42 10.04 2 0 1000.00 -999 ? >TYR.B 78 2.84 -6.70 9.30 0.18 -7.65 9.01 1.51 -7.17 9.15 3 0 1000.00 -999 ? >GLY~B 79 2.94 -7.53 13.47 3.57 -7.58 13.26 3.25 -7.56 13.37 1 0 1000.00 -999 ? >PHE~B 80 4.48 -10.30 18.82 6.07 -11.88 20.56 5.27 -11.09 19.69 3 0 1000.00 -999 ? >LYS~B 81 3.08 -12.73 15.12 -2.41 -11.73 15.43 0.33 -12.23 15.28 2 0 1000.00 -999 ? >ASP~B 82 4.30 -10.85 10.77 2.56 -11.17 9.63 3.43 -11.01 10.20 2 0 1000.00 -999 ? >ILE~B 83 8.15 -10.27 14.49 8.90 -9.20 15.07 8.52 -9.74 14.78 3 0 1000.00 -999 ? >LEU~B 84 6.55 -15.04 16.08 6.88 -14.56 18.12 6.71 -14.80 17.10 3 0 1000.00 -999 ? >ARG~B 85 3.04 -15.88 11.00 0.64 -14.05 11.64 1.84 -14.97 11.32 2 0 1000.00 -999 ? >GLU~B 86 10.25 -13.47 8.50 9.38 -14.24 6.74 9.82 -13.85 7.62 2 0 1000.00 -999 ? >ALA~B 87 11.86 -15.76 13.10 11.64 -15.11 14.50 11.75 -15.44 13.80 2 0 1000.00 -999 ? >LEU~B 88 9.23 -19.71 13.27 8.46 -21.51 14.14 8.85 -20.61 13.70 3 0 1000.00 -999 ? >ARG~B 89 10.12 -18.27 6.01 11.01 -16.27 3.90 10.57 -17.27 4.95 2 0 1000.00 -999 ? >PHE~B 90 15.31 -16.37 8.59 14.81 -14.86 6.30 15.06 -15.61 7.45 3 0 1000.00 -999 ? >GLY.B 91 15.34 -20.97 12.69 15.36 -20.20 12.74 15.35 -20.58 12.71 1 0 1000.00 -999 ? >LEU.B 92 15.42 -16.76 14.96 16.82 -15.44 14.02 16.12 -16.10 14.49 3 0 1000.00 -999 ? >ILE.B 93 12.22 -18.85 18.02 11.21 -17.98 17.79 11.71 -18.41 17.90 3 0 1000.00 -999 ? >GLY.B 94 12.03 -23.08 18.20 11.54 -22.48 18.42 11.78 -22.78 18.31 1 0 1000.00 -999 ? >ASP~B 95 8.41 -23.38 20.60 6.42 -23.67 21.41 7.42 -23.53 21.00 2 0 1000.00 -999 ? >MET?B 96 6.58 -19.26 18.60 4.52 -18.83 14.85 5.55 -19.05 16.73 2 0 1000.00 -999 ? >SER~B 97 4.07 -20.42 21.14 2.23 -21.83 20.36 3.15 -21.13 20.75 2 0 1000.00 -999 ? >LYS~B 98 6.55 -19.84 23.92 8.69 -24.50 25.67 7.62 -22.17 24.80 2 0 1000.00 -999 ? >TRP~B 99 9.52 -17.52 21.29 12.02 -14.92 22.93 10.77 -16.22 22.11 3 0 1000.00 -999 ? >VAL~B 100 3.28 -15.41 22.18 1.65 -16.08 20.86 2.47 -15.74 21.52 3 0 1000.00 -999 ? >ALA~B 101 3.13 -16.48 25.84 3.53 -17.90 26.34 3.33 -17.19 26.09 2 0 1000.00 -999 ? >TYR~B 102 8.15 -15.75 26.33 9.29 -18.26 26.77 8.72 -17.00 26.55 3 0 1000.00 -999 ? >ARG~B 103 3.06 -9.29 22.50 0.73 -9.75 20.66 1.89 -9.52 21.58 2 0 1000.00 -999 ? >ASP~B 104 0.65 -13.35 27.24 -0.52 -13.59 25.45 0.07 -13.47 26.34 2 0 1000.00 -999 ? >MET?B 105 3.70 -12.23 30.31 6.62 -15.32 30.97 5.16 -13.77 30.64 2 0 1000.00 -999 ? >ARG~B 106 7.32 -6.51 27.74 7.49 -4.21 29.81 7.40 -5.36 28.78 2 0 1000.00 -999 ? >ASN~B 107 1.15 -7.41 27.90 1.97 -7.12 25.93 1.56 -7.26 26.91 2 0 1000.00 -999 ? >ILE~B 108 0.33 -9.12 32.92 -0.16 -10.43 32.57 0.09 -9.78 32.75 3 0 1000.00 -999 ? >THR~B 109 4.39 -7.33 34.44 6.05 -7.57 33.10 5.22 -7.45 33.77 2 0 1000.00 -999 ? >SER~B 110 2.97 -3.85 35.13 1.12 -3.30 33.74 2.04 -3.57 34.43 2 0 1000.00 -999 ? >HIS~B 111 -1.49 -5.72 35.76 -2.53 -4.42 34.49 -2.01 -5.07 35.12 3 0 1000.00 -999 ? >THR~B 112 3.23 -7.31 39.35 5.21 -8.02 38.78 4.22 -7.67 39.07 2 0 1000.00 -999 ? >TYR.B 113 1.00 -3.28 42.02 -1.41 -2.98 40.58 -0.20 -3.13 41.30 3 0 1000.00 -999 ? >ASP~B 114 -1.03 -8.19 42.37 -2.05 -9.89 43.04 -1.54 -9.04 42.70 2 0 1000.00 -999 ? >GLN~B 115 3.31 -9.79 46.88 5.18 -9.35 45.88 4.25 -9.57 46.38 2 0 1000.00 -999 ? >GLU~B 116 -1.96 -14.53 44.19 -3.98 -14.93 43.63 -2.97 -14.73 43.91 2 0 1000.00 -999 ? >LYS~B 117 0.61 -12.02 39.88 -3.61 -7.62 38.62 -1.50 -9.82 39.25 2 0 1000.00 -999 ? >ALA~B 118 4.35 -11.67 40.64 4.98 -10.85 41.81 4.66 -11.26 41.22 2 0 1000.00 -999 ? >MET?B 119 4.51 -15.43 41.56 5.28 -15.61 45.05 4.89 -15.52 43.30 2 0 1000.00 -999 ? >ALA~B 120 2.73 -16.27 38.33 1.43 -15.66 37.89 2.08 -15.96 38.11 2 0 1000.00 -999 ? >VAL~B 121 5.35 -14.42 36.20 5.64 -12.47 35.24 5.49 -13.45 35.72 3 0 1000.00 -999 ? >TYR~B 122 10.07 -15.93 40.03 12.75 -16.68 40.24 11.41 -16.31 40.13 3 0 1000.00 -999 ? >ALA~B 123 7.06 -19.38 37.78 5.63 -19.84 38.04 6.34 -19.61 37.91 2 0 1000.00 -999 ? >GLN~B 124 4.97 -18.64 33.19 3.54 -17.17 32.51 4.26 -17.91 32.85 2 0 1000.00 -999 ? >ILE~B 125 11.55 -16.65 35.00 12.30 -15.39 35.24 11.93 -16.02 35.12 3 0 1000.00 -999 ? >ASP~B 126 12.78 -22.03 35.10 14.42 -22.03 36.42 13.60 -22.03 35.76 2 0 1000.00 -999 ? >ASP~B 127 9.73 -22.10 30.62 9.32 -22.75 28.65 9.53 -22.43 29.63 2 0 1000.00 -999 ? >PHE~B 128 11.87 -15.95 29.51 12.73 -13.96 27.75 12.30 -14.95 28.63 3 0 1000.00 -999 ? >LEU~B 129 16.27 -19.21 31.39 16.95 -17.74 32.84 16.61 -18.48 32.12 3 0 1000.00 -999 ? >ILE~B 130 14.51 -23.17 27.94 14.39 -24.67 28.17 14.45 -23.92 28.05 3 0 1000.00 -999 ? >GLU~B 131 11.64 -20.79 24.97 11.80 -22.56 23.80 11.72 -21.68 24.39 2 0 1000.00 -999 ? >SER~B 132 15.88 -17.08 25.01 16.31 -16.23 27.33 16.10 -16.65 26.17 2 0 1000.00 -999 ? >SER~B 133 19.00 -19.17 25.50 20.53 -20.83 26.28 19.77 -20.00 25.89 2 0 1000.00 -999 ? >PHE~B 134 17.04 -22.15 20.45 17.16 -23.03 17.81 17.10 -22.59 19.13 3 0 1000.00 -999 ? >LEU~B 135 16.42 -16.52 21.12 15.88 -14.87 19.82 16.15 -15.69 20.47 3 0 1000.00 -999 ? >LEU~B 136 21.02 -15.69 23.02 22.68 -14.72 23.89 21.85 -15.21 23.45 3 0 1000.00 -999 ? >GLU~B 137 22.99 -21.21 21.88 22.42 -23.28 21.80 22.70 -22.24 21.84 2 0 1000.00 -999 ? >GLN~B 138 19.09 -19.97 17.00 20.05 -21.37 15.65 19.57 -20.67 16.33 2 0 1000.00 -999 ? >LEU~B 139 21.39 -13.90 17.96 19.47 -12.93 17.63 20.43 -13.41 17.79 3 0 1000.00 -999 ? >ARG~B 140 26.54 -17.19 21.58 25.40 -18.10 24.36 25.97 -17.65 22.97 2 0 1000.00 -999 ? >GLN~B 141 25.74 -19.80 15.81 24.92 -21.79 15.66 25.33 -20.79 15.73 2 0 1000.00 -999 ? >ASN~C 7 15.12 17.50 71.56 13.76 16.77 73.01 14.44 17.14 72.28 2 0 1000.00 -999 ? >LEU~C 8 11.47 17.91 67.75 9.70 17.95 66.51 10.59 17.93 67.13 3 0 1000.00 -999 ? >ASN~C 9 15.79 15.53 65.91 15.64 17.37 64.84 15.72 16.45 65.38 2 0 1000.00 -999 ? >VAL~C 10 15.08 12.13 68.60 16.22 11.87 70.38 15.65 12.00 69.49 3 0 1000.00 -999 ? >LEU~C 11 10.25 12.36 69.25 8.29 11.49 69.57 9.27 11.92 69.41 3 0 1000.00 -999 ? >ASP~C 12 12.05 12.14 64.25 10.71 13.63 63.61 11.38 12.88 63.93 2 0 1000.00 -999 ? >ALA~C 13 14.28 8.67 65.02 15.69 9.03 65.30 14.99 8.85 65.16 2 0 1000.00 -999 ? >ALA~C 14 13.02 6.84 68.10 12.70 7.49 69.47 12.86 7.16 68.78 2 0 1000.00 -999 ? >PHE~C 15 7.31 7.05 65.68 5.45 6.22 63.82 6.38 6.64 64.75 3 0 1000.00 -999 ? >TYR~C 16 11.92 5.99 61.38 12.25 5.07 58.76 12.09 5.53 60.07 3 0 1000.00 -999 ? >SER~C 17 13.17 2.86 64.95 15.23 2.01 66.01 14.20 2.43 65.48 2 0 1000.00 -999 ? >LEU~C 18 9.33 2.17 67.81 8.00 0.63 68.61 8.66 1.40 68.21 3 0 1000.00 -999 ? >GLU~C 19 6.42 1.98 61.94 5.41 3.66 61.12 5.91 2.82 61.53 2 0 1000.00 -999 ? >GLN~C 20 12.34 1.15 60.52 11.41 0.65 58.69 11.87 0.90 59.61 2 0 1000.00 -999 ? >THR~C 21 10.91 -3.14 64.53 11.78 -3.29 66.58 11.34 -3.21 65.55 2 0 1000.00 -999 ? >VAL~C 22 7.18 -3.82 64.41 5.45 -2.89 65.37 6.32 -3.36 64.89 3 0 1000.00 -999 ? >VAL~C 23 7.41 -4.28 60.63 8.01 -3.28 58.89 7.71 -3.78 59.76 3 0 1000.00 -999 ? >GLN~C 24 12.37 -6.12 60.46 12.84 -7.34 58.71 12.61 -6.73 59.59 2 0 1000.00 -999 ? >ILE~C 25 8.04 -8.49 65.28 8.45 -8.40 66.59 8.24 -8.44 65.93 3 0 1000.00 -999 ? >SER~C 26 5.00 -8.49 61.71 4.11 -6.12 61.89 4.56 -7.31 61.80 2 0 1000.00 -999 ? >ASP~C 27 8.29 -10.21 58.41 8.87 -11.56 56.74 8.58 -10.89 57.58 2 0 1000.00 -999 ? >ARG~C 28 3.19 -15.36 61.75 0.37 -16.54 61.87 1.78 -15.95 61.81 2 0 1000.00 -999 ? >ASN~C 29 7.10 -15.90 56.44 5.25 -16.74 55.74 6.18 -16.32 56.09 2 0 1000.00 -999 ? >TRP~C 30 13.67 -13.42 58.23 14.07 -11.86 61.84 13.87 -12.64 60.04 3 0 1000.00 -999 ? >PHE~C 31 8.50 -13.39 64.46 8.56 -12.92 67.25 8.53 -13.16 65.86 3 0 1000.00 -999 ? >ASP~C 32 7.75 -18.62 62.38 5.99 -17.97 63.22 6.87 -18.29 62.80 2 0 1000.00 -999 ? >MET?C 33 11.99 -19.40 61.35 12.60 -19.11 57.29 12.30 -19.25 59.32 2 0 1000.00 -999 ? >GLN~C 34 13.63 -15.30 63.43 15.30 -15.53 62.18 14.47 -15.41 62.80 2 0 1000.00 -999 ? >PRO~C 35 16.98 -18.74 66.59 14.82 -19.44 66.54 15.90 -19.09 66.57 3 0 1000.00 -999 ? >SER~C 36 12.61 -19.36 70.20 11.57 -20.08 72.23 12.09 -19.72 71.22 2 0 1000.00 -999 ? >ILE~C 37 16.51 -17.31 72.37 17.80 -16.90 72.74 17.16 -17.10 72.56 3 0 1000.00 -999 ? >VAL~C 38 15.61 -14.55 68.96 16.57 -14.34 67.04 16.09 -14.45 68.00 3 0 1000.00 -999 ? >GLN~C 39 10.88 -16.28 67.40 9.35 -17.74 67.46 10.11 -17.01 67.43 2 0 1000.00 -999 ? >ASP~C 40 11.08 -14.41 73.74 12.87 -14.88 74.84 11.97 -14.64 74.29 2 0 1000.00 -999 ? >THR~C 41 14.31 -11.26 72.55 16.45 -11.47 72.79 15.38 -11.37 72.67 2 0 1000.00 -999 ? >LEU~C 42 12.55 -9.94 68.21 14.04 -10.04 66.62 13.29 -9.99 67.42 3 0 1000.00 -999 ? >ILE~C 43 8.88 -10.14 72.02 7.39 -10.39 71.79 8.14 -10.27 71.91 3 0 1000.00 -999 ? >ALA~C 44 11.66 -7.51 74.38 12.69 -8.26 75.21 12.17 -7.88 74.79 2 0 1000.00 -999 ? >GLY~C 45 13.47 -5.08 72.13 12.62 -5.22 72.25 13.04 -5.15 72.19 1 0 1000.00 -999 ? >ALA~C 46 10.08 -3.87 70.80 8.96 -4.77 70.25 9.52 -4.32 70.52 2 0 1000.00 -999 ? >ILE~C 47 8.70 -4.44 75.45 7.99 -5.28 76.32 8.35 -4.86 75.89 3 0 1000.00 -999 ? >GLN~C 48 14.51 -1.09 74.93 14.82 -0.83 77.00 14.66 -0.96 75.97 2 0 1000.00 -999 ? >LYS~C 49 11.56 0.75 72.23 14.77 -0.67 67.00 13.16 0.04 69.61 2 0 1000.00 -999 ? >PHE~C 50 5.84 0.91 74.22 3.86 1.66 76.12 4.85 1.28 75.17 3 0 1000.00 -999 ? >GLU~C 51 9.33 0.47 78.12 10.74 -0.81 79.11 10.04 -0.17 78.61 2 0 1000.00 -999 ? >PHE~C 52 13.80 3.99 74.42 15.93 2.19 75.11 14.86 3.09 74.77 3 0 1000.00 -999 ? >VAL~C 53 8.70 6.28 72.65 7.73 5.70 70.78 8.22 5.99 71.72 3 0 1000.00 -999 ? >TYR~C 54 4.57 5.57 77.32 2.73 6.25 79.36 3.65 5.91 78.34 3 0 1000.00 -999 ? >GLU~C 55 10.06 8.30 79.45 9.07 7.22 80.94 9.56 7.76 80.19 2 0 1000.00 -999 ? >LEU~C 56 10.56 10.35 73.82 12.41 11.45 73.68 11.49 10.90 73.75 3 0 1000.00 -999 ? >SER~C 57 6.18 11.37 73.66 5.52 9.71 72.07 5.85 10.54 72.86 2 0 1000.00 -999 ? >LEU~C 58 5.04 11.52 78.31 3.19 10.64 78.97 4.12 11.08 78.64 3 0 1000.00 -999 ? >LYS~C 59 7.85 14.88 77.69 13.31 12.89 80.24 10.58 13.88 78.96 2 0 1000.00 -999 ? >MET?C 60 7.22 16.52 74.35 10.26 16.49 72.40 8.74 16.50 73.38 2 0 1000.00 -999 ? >MET?C 61 3.43 16.41 75.04 0.31 13.64 76.12 1.87 15.02 75.58 2 0 1000.00 -999 ? >LYS~C 62 4.20 18.20 78.34 6.24 20.16 82.63 5.22 19.18 80.49 2 0 1000.00 -999 ? >ARG~C 63 9.93 21.22 74.84 9.80 20.79 71.77 9.87 21.01 73.31 2 0 1000.00 -999 ? >GLN~C 64 3.05 21.13 71.86 3.97 22.70 70.71 3.51 21.92 71.29 2 0 1000.00 -999 ? >LEU~C 65 0.62 21.13 77.39 -1.14 19.89 77.03 -0.26 20.51 77.21 3 0 1000.00 -999 ? >GLN~C 66 6.48 25.11 78.93 7.98 24.19 80.18 7.23 24.65 79.55 2 0 1000.00 -999 ? >GLN~C 67 6.88 25.55 74.00 7.81 24.68 72.23 7.34 25.12 73.11 2 0 1000.00 -999 ? >ASP~C 68 0.06 25.52 74.41 0.02 24.64 72.47 0.04 25.08 73.44 2 0 1000.00 -999 ? >ALA~C 69 0.54 29.08 77.44 -0.61 28.67 78.38 -0.03 28.88 77.91 2 0 1000.00 -999 ? >ILE~C 70 4.71 31.50 77.22 5.78 31.68 76.30 5.25 31.59 76.76 3 0 1000.00 -999 ? >ASN~C 71 0.22 32.67 80.57 0.04 34.00 78.87 0.13 33.34 79.72 2 0 1000.00 -999 ? >THR~C 72 1.84 29.15 83.22 -0.04 28.58 84.27 0.90 28.86 83.75 2 0 1000.00 -999 ? >ASP~C 73 6.11 28.08 81.12 6.00 27.99 78.97 6.05 28.03 80.05 2 0 1000.00 -999 ? >ASP~C 74 6.87 25.99 86.10 8.30 24.77 87.12 7.59 25.38 86.61 2 0 1000.00 -999 ? >ILE~C 75 2.93 22.36 82.84 1.50 22.69 83.43 2.21 22.52 83.14 3 0 1000.00 -999 ? >GLY~C 76 6.23 20.41 85.96 5.55 20.99 86.28 5.89 20.70 86.12 1 0 1000.00 -999 ? >ALA~C 77 3.30 20.39 88.38 3.02 21.82 88.84 3.16 21.10 88.61 2 0 1000.00 -999 ? >TYR~C 78 -0.83 19.97 84.82 -3.07 21.72 84.69 -1.95 20.84 84.76 3 0 1000.00 -999 ? >GLY~C 79 -0.29 14.88 86.66 -0.39 15.30 85.95 -0.34 15.09 86.31 1 0 1000.00 -999 ? >PHE~C 80 0.01 10.00 82.84 -0.26 8.42 80.54 -0.13 9.21 81.69 3 0 1000.00 -999 ? >LYS~C 81 -4.11 12.04 83.86 -9.23 10.31 85.88 -6.67 11.18 84.87 2 0 1000.00 -999 ? >ASP~C 82 -3.18 16.69 84.79 -4.41 17.23 86.45 -3.80 16.96 85.62 2 0 1000.00 -999 ? >ILE~C 83 0.01 15.67 80.85 1.12 16.82 81.05 0.57 16.24 80.95 3 0 1000.00 -999 ? >LEU~C 84 -3.96 12.47 79.20 -2.64 10.72 79.09 -3.30 11.59 79.15 3 0 1000.00 -999 ? >ARG~C 85 -8.48 16.06 83.18 -7.53 14.96 85.94 -8.01 15.51 84.56 2 0 1000.00 -999 ? >GLU~C 86 -3.30 21.31 78.98 -4.69 22.91 79.60 -3.99 22.11 79.29 2 0 1000.00 -999 ? >ALA~C 87 -3.47 17.25 75.35 -2.54 16.05 75.41 -3.01 16.65 75.38 2 0 1000.00 -999 ? >LEU~C 88 -7.70 14.90 75.13 -9.27 13.65 74.21 -8.49 14.27 74.67 3 0 1000.00 -999 ? >ARG~C 89 -8.01 21.54 78.15 -8.60 20.19 80.90 -8.30 20.86 79.53 2 0 1000.00 -999 ? >PHE~C 90 -4.44 22.12 73.46 -4.67 24.15 75.37 -4.55 23.14 74.42 3 0 1000.00 -999 ? >GLY~C 91 -6.00 17.41 69.79 -5.36 17.69 70.20 -5.68 17.55 69.99 1 0 1000.00 -999 ? >LEU~C 92 -1.62 16.78 71.74 -0.44 18.57 71.89 -1.03 17.68 71.82 3 0 1000.00 -999 ? >ILE~C 93 -3.86 12.74 72.81 -3.51 11.85 73.92 -3.69 12.30 73.37 3 0 1000.00 -999 ? >GLY~C 94 -6.98 11.40 69.99 -6.74 11.25 70.77 -6.86 11.33 70.38 1 0 1000.00 -999 ? >ASP~C 95 -8.44 7.78 72.39 -9.70 6.76 73.79 -9.07 7.27 73.09 2 0 1000.00 -999 ? >MET?C 96 -6.68 9.91 76.34 -8.60 11.78 79.68 -7.64 10.85 78.01 2 0 1000.00 -999 ? >SER~C 97 -7.70 6.52 77.69 -10.00 6.38 76.88 -8.85 6.45 77.28 2 0 1000.00 -999 ? >LYS~C 98 -5.64 5.13 74.79 -7.23 3.62 69.90 -6.44 4.38 72.35 2 0 1000.00 -999 ? >TRP~C 99 -2.51 8.50 73.92 1.36 9.16 73.50 -0.57 8.83 73.71 3 0 1000.00 -999 ? >VAL~C 100 -3.86 5.66 79.95 -5.54 6.43 81.19 -4.70 6.05 80.57 3 0 1000.00 -999 ? >ALA~C 101 -3.59 1.94 79.20 -4.52 1.13 78.32 -4.05 1.53 78.76 2 0 1000.00 -999 ? >TYR~C 102 -0.55 3.75 75.11 -2.05 3.85 72.77 -1.30 3.80 73.94 3 0 1000.00 -999 ? >ARG~C 103 -1.33 5.34 84.04 0.39 7.29 85.71 -0.47 6.32 84.87 2 0 1000.00 -999 ? >ASP~C 104 -2.09 0.28 82.95 -3.43 1.67 83.68 -2.76 0.97 83.32 2 0 1000.00 -999 ? >MET?C 105 1.38 -0.57 79.98 0.01 -1.11 76.27 0.70 -0.84 78.12 2 0 1000.00 -999 ? >ARG~C 106 7.34 1.91 81.19 9.63 3.87 81.17 8.48 2.89 81.18 2 0 1000.00 -999 ? >ASN~C 107 3.00 0.93 85.45 2.67 3.04 85.20 2.84 1.99 85.33 2 0 1000.00 -999 ? >ILE~C 108 2.47 -3.93 83.50 1.10 -3.84 83.19 1.79 -3.88 83.34 3 0 1000.00 -999 ? >THR~C 109 6.73 -3.84 81.25 7.13 -1.98 80.43 6.93 -2.91 80.84 2 0 1000.00 -999 ? >SER~C 110 8.90 -4.42 84.32 7.88 -4.26 86.50 8.39 -4.34 85.41 2 0 1000.00 -999 ? >HIS~C 111 5.34 -7.07 86.20 4.65 -5.61 87.55 5.00 -6.34 86.88 3 0 1000.00 -999 ? >THR~C 112 7.72 -8.66 81.03 8.01 -7.58 79.17 7.86 -8.12 80.10 2 0 1000.00 -999 ? >TYR~C 113 9.93 -11.12 84.69 8.55 -9.76 86.76 9.24 -10.44 85.73 3 0 1000.00 -999 ? >ASP~C 114 5.38 -12.67 83.00 3.87 -14.09 83.56 4.62 -13.38 83.28 2 0 1000.00 -999 ? >GLN~C 115 7.89 -16.12 77.29 7.86 -14.73 75.69 7.88 -15.42 76.49 2 0 1000.00 -999 ? >GLU~C 116 1.33 -16.38 79.00 0.55 -17.40 80.72 0.94 -16.89 79.86 2 0 1000.00 -999 ? >LYS~C 117 2.86 -10.72 79.97 2.92 -9.06 86.11 2.89 -9.89 83.04 2 0 1000.00 -999 ? >ALA~C 118 5.18 -9.98 77.10 6.51 -10.71 76.74 5.85 -10.34 76.92 2 0 1000.00 -999 ? >MET?C 119 2.49 -10.88 74.52 3.80 -13.55 72.43 3.15 -12.22 73.47 2 0 1000.00 -999 ? >ALA~C 120 0.07 -8.79 76.53 -0.09 -8.89 78.03 -0.01 -8.84 77.28 2 0 1000.00 -999 ? >VAL~C 121 2.13 -5.64 76.30 3.59 -4.67 77.56 2.86 -5.15 76.93 3 0 1000.00 -999 ? >TYR~C 122 4.65 -7.49 70.96 5.33 -7.04 68.27 4.99 -7.27 69.61 3 0 1000.00 -999 ? >ALA~C 123 0.09 -7.20 71.23 -0.83 -8.32 71.66 -0.37 -7.76 71.45 2 0 1000.00 -999 ? >GLN~C 124 -2.08 -4.32 74.23 -2.44 -3.74 76.25 -2.26 -4.03 75.24 2 0 1000.00 -999 ? >ILE~C 125 3.35 -1.99 70.42 4.68 -1.60 70.98 4.01 -1.79 70.70 3 0 1000.00 -999 ? >ASP~C 126 0.14 -3.24 65.93 1.57 -4.55 64.98 0.85 -3.89 65.45 2 0 1000.00 -999 ? >ASP~C 127 -3.14 -0.61 69.15 -4.28 0.99 69.97 -3.71 0.19 69.56 2 0 1000.00 -999 ? >PHE~C 128 2.00 2.94 71.64 3.69 5.12 72.30 2.85 4.03 71.97 3 0 1000.00 -999 ? >LEU~C 129 2.13 1.81 65.94 4.25 1.19 65.83 3.19 1.50 65.88 3 0 1000.00 -999 ? >ILE~C 130 -2.50 4.64 65.01 -3.41 4.10 64.32 -2.95 4.37 64.67 3 0 1000.00 -999 ? >GLU~C 131 -3.66 6.29 69.83 -5.22 7.79 69.63 -4.44 7.04 69.73 2 0 1000.00 -999 ? >SER~C 132 2.03 7.76 68.64 2.49 5.38 68.61 2.26 6.57 68.62 2 0 1000.00 -999 ? >SER~C 133 2.37 8.67 64.93 2.30 8.19 62.55 2.33 8.43 63.74 2 0 1000.00 -999 ? >PHE~C 134 -2.75 11.72 66.23 -4.83 13.51 66.46 -3.79 12.61 66.34 3 0 1000.00 -999 ? >LEU~C 135 1.68 12.38 69.59 2.42 13.52 71.36 2.05 12.95 70.47 3 0 1000.00 -999 ? >LEU~C 136 5.11 12.05 65.57 7.27 12.12 65.18 6.19 12.09 65.37 3 0 1000.00 -999 ? >GLU~C 137 1.01 12.89 62.24 -0.99 12.05 62.23 0.01 12.47 62.23 2 0 1000.00 -999 ? >GLN~C 138 -1.42 15.97 66.42 -2.48 16.99 64.92 -1.95 16.48 65.67 2 0 1000.00 -999 ? >LEU~C 139 4.56 17.23 68.31 5.18 17.32 70.36 4.87 17.28 69.33 3 0 1000.00 -999 ? >ARG~C 140 6.52 16.28 60.88 7.73 13.49 60.33 7.13 14.88 60.61 2 0 1000.00 -999 ? >GLN~C 141 1.38 19.60 61.89 -0.76 19.26 62.02 0.31 19.43 61.96 2 0 1000.00 -999 ? >ASN~D 7 9.55 -16.19 95.37 9.35 -14.10 94.86 9.45 -15.14 95.12 2 0 1000.00 -999 ? >LEU~D 8 14.56 -17.73 94.28 16.47 -17.16 94.95 15.52 -17.44 94.61 3 0 1000.00 -999 ? >ASN~D 9 11.07 -19.89 90.33 11.25 -21.75 91.37 11.16 -20.82 90.85 2 0 1000.00 -999 ? >VAL~D 10 11.53 -15.88 88.47 10.01 -14.41 88.84 10.77 -15.14 88.66 3 0 1000.00 -999 ? >LEU~D 11 15.57 -14.03 90.47 17.63 -13.41 90.91 16.60 -13.72 90.69 3 0 1000.00 -999 ? >ASP~D 12 15.99 -19.05 88.75 17.68 -20.28 88.44 16.84 -19.67 88.59 2 0 1000.00 -999 ? >ALA~D 13 14.39 -17.94 84.75 12.87 -18.09 84.57 13.63 -18.02 84.66 2 0 1000.00 -999 ? >ALA~D 14 15.03 -14.24 83.95 14.75 -13.04 84.86 14.89 -13.64 84.40 2 0 1000.00 -999 ? >PHE~D 15 20.92 -15.51 85.43 23.67 -16.09 85.16 22.30 -15.80 85.30 3 0 1000.00 -999 ? >TYR~D 16 18.35 -20.19 81.40 19.58 -22.18 79.78 18.96 -21.19 80.59 3 0 1000.00 -999 ? >SER~D 17 16.75 -15.85 79.44 14.49 -15.37 78.64 15.62 -15.61 79.04 2 0 1000.00 -999 ? >LEU~D 18 19.93 -12.27 80.90 21.13 -10.42 80.84 20.53 -11.34 80.87 3 0 1000.00 -999 ? >GLU~D 19 23.74 -17.68 80.22 24.66 -18.82 81.77 24.20 -18.25 80.99 2 0 1000.00 -999 ? >GLN~D 20 19.43 -19.39 77.28 20.71 -20.69 76.14 20.07 -20.04 76.71 2 0 1000.00 -999 ? >THR~D 21 20.17 -14.12 74.66 18.75 -12.42 74.69 19.46 -13.27 74.68 2 0 1000.00 -999 ? >VAL~D 22 23.76 -12.92 75.15 24.31 -12.65 77.23 24.03 -12.79 76.19 3 0 1000.00 -999 ? >VAL~D 23 24.90 -16.27 73.69 25.24 -18.30 74.47 25.07 -17.28 74.08 3 0 1000.00 -999 ? >GLN~D 24 20.28 -16.49 70.31 20.63 -17.48 68.50 20.46 -16.99 69.40 2 0 1000.00 -999 ? >ILE~D 25 23.99 -11.22 70.82 23.45 -9.81 70.95 23.72 -10.51 70.88 3 0 1000.00 -999 ? >SER~D 26 27.43 -14.21 70.71 27.59 -14.84 73.06 27.51 -14.52 71.88 2 0 1000.00 -999 ? >ASP~D 27 25.80 -17.18 67.37 25.98 -18.47 65.76 25.89 -17.83 66.57 2 0 1000.00 -999 ? >ARG~D 28 30.53 -11.19 67.08 33.02 -9.64 66.11 31.78 -10.42 66.60 2 0 1000.00 -999 ? >ASN~D 29 28.72 -16.87 62.41 29.05 -17.46 60.41 28.89 -17.16 61.41 2 0 1000.00 -999 ? >TRP~D 30 21.42 -16.73 62.43 19.82 -14.18 64.97 20.62 -15.45 63.70 3 0 1000.00 -999 ? >PHE~D 31 24.45 -10.22 66.14 23.64 -7.70 67.19 24.04 -8.96 66.67 3 0 1000.00 -999 ? >ASP~D 32 27.92 -10.34 61.50 29.06 -9.56 63.11 28.49 -9.95 62.30 2 0 1000.00 -999 ? >MET?D 33 24.47 -11.72 58.84 24.36 -15.96 57.97 24.42 -13.84 58.40 2 0 1000.00 -999 ? >GLN~D 34 20.84 -11.43 62.13 19.79 -12.89 61.08 20.31 -12.16 61.60 2 0 1000.00 -999 ? >PRO~D 35 17.73 -8.12 58.85 19.85 -7.44 59.11 18.79 -7.78 58.98 3 0 1000.00 -999 ? >SER~D 36 20.63 -3.87 61.08 21.56 -1.71 61.50 21.09 -2.79 61.29 2 0 1000.00 -999 ? >ILE~D 37 15.78 -3.20 61.69 14.43 -3.51 61.54 15.10 -3.35 61.62 3 0 1000.00 -999 ? >VAL~D 38 17.21 -6.93 63.72 16.76 -8.84 62.85 16.98 -7.88 63.29 3 0 1000.00 -999 ? >GLN~D 39 22.34 -6.99 63.45 24.29 -6.49 62.71 23.32 -6.74 63.08 2 0 1000.00 -999 ? >ASP~D 40 19.61 -1.96 66.31 17.58 -1.36 65.88 18.60 -1.66 66.09 2 0 1000.00 -999 ? >THR~D 41 16.43 -4.86 68.20 14.41 -5.07 67.35 15.42 -4.96 67.78 2 0 1000.00 -999 ? >LEU~D 42 19.27 -8.74 69.17 18.51 -10.40 68.01 18.89 -9.57 68.59 3 0 1000.00 -999 ? >ILE~D 43 21.67 -4.62 71.02 22.73 -4.33 70.59 22.20 -4.47 70.81 3 0 1000.00 -999 ? >ALA~D 44 17.70 -3.37 72.81 16.68 -2.61 71.93 17.19 -2.99 72.37 2 0 1000.00 -999 ? >GLY~D 45 15.96 -6.57 74.03 16.79 -6.33 74.20 16.38 -6.45 74.12 1 0 1000.00 -999 ? >ALA~D 46 19.08 -7.67 75.86 20.43 -7.82 75.23 19.76 -7.75 75.55 2 0 1000.00 -999 ? >ILE~D 47 19.29 -2.90 76.96 19.89 -1.72 76.77 19.59 -2.31 76.87 3 0 1000.00 -999 ? >GLN~D 48 13.12 -5.33 78.53 11.91 -3.55 78.63 12.51 -4.44 78.58 2 0 1000.00 -999 ? >LYS~D 49 16.48 -8.19 79.94 15.76 -12.97 76.05 16.12 -10.58 77.99 2 0 1000.00 -999 ? >PHE~D 50 21.01 -4.95 82.26 21.96 -2.87 83.93 21.48 -3.91 83.09 3 0 1000.00 -999 ? >GLU~D 51 16.85 -2.08 82.32 15.53 -0.89 81.16 16.19 -1.49 81.74 2 0 1000.00 -999 ? >PHE~D 52 13.28 -8.10 82.77 11.28 -7.57 80.86 12.28 -7.84 81.82 3 0 1000.00 -999 ? >VAL~D 53 17.67 -9.09 86.12 18.92 -10.72 85.49 18.29 -9.90 85.81 3 0 1000.00 -999 ? >TYR~D 54 19.78 -3.63 88.03 20.24 -1.56 89.87 20.01 -2.60 88.95 3 0 1000.00 -999 ? >GLU~D 55 14.28 -3.35 88.07 15.04 -1.85 89.31 14.66 -2.60 88.69 2 0 1000.00 -999 ? >LEU~D 56 14.78 -9.69 89.45 12.92 -9.70 88.22 13.85 -9.69 88.83 3 0 1000.00 -999 ? >SER~D 57 18.59 -9.18 91.78 20.05 -9.52 89.82 19.32 -9.35 90.80 2 0 1000.00 -999 ? >LEU~D 58 18.04 -4.69 93.36 18.72 -3.03 94.45 18.38 -3.86 93.90 3 0 1000.00 -999 ? >LYS~D 59 14.76 -6.87 95.21 8.57 -6.78 93.82 11.67 -6.83 94.51 2 0 1000.00 -999 ? >MET?D 60 15.88 -10.33 96.43 13.64 -12.60 95.60 14.76 -11.47 96.02 2 0 1000.00 -999 ? >MET?D 61 19.02 -8.77 97.89 22.29 -6.26 96.67 20.66 -7.52 97.28 2 0 1000.00 -999 ? >LYS~D 62 17.00 -6.28 100.01 13.62 -0.90 100.61 15.31 -3.59 100.31 2 0 1000.00 -999 ? >ARG~D 63 11.56 -10.80 99.72 10.38 -12.59 97.61 10.97 -11.69 98.66 2 0 1000.00 -999 ? >GLN~D 64 19.44 -13.14 101.92 18.80 -15.09 102.39 19.12 -14.12 102.16 2 0 1000.00 -999 ? >LEU~D 65 19.56 -7.35 103.63 21.61 -7.04 102.84 20.58 -7.19 103.23 3 0 1000.00 -999 ? >GLN~D 66 14.59 -6.34 104.60 12.98 -5.21 103.73 13.78 -5.77 104.16 2 0 1000.00 -999 ? >GLN~D 67 14.34 -13.31 104.75 14.35 -15.33 104.02 14.35 -14.32 104.39 2 0 1000.00 -999 ? >ASP~D 68 20.17 -11.95 107.66 20.32 -13.55 106.35 20.25 -12.75 107.01 2 0 1000.00 -999 ? >ALA~D 69 18.25 -8.60 110.05 17.70 -7.35 109.36 17.97 -7.97 109.71 2 0 1000.00 -999 ? >ILE~D 70 18.57 -7.13 114.59 19.41 -7.28 115.84 18.99 -7.20 115.22 3 0 1000.00 -999 ? >ASN~D 71 14.27 -4.73 113.28 15.60 -3.15 112.80 14.94 -3.94 113.04 2 0 1000.00 -999 ? >THR~D 72 13.20 -5.25 109.02 11.66 -6.30 107.86 12.43 -5.78 108.44 2 0 1000.00 -999 ? >ASP~D 73 12.88 -0.77 110.95 10.92 -1.14 111.66 11.90 -0.96 111.31 2 0 1000.00 -999 ? >ASP~D 74 17.75 -0.16 110.49 19.20 1.41 110.27 18.48 0.63 110.38 2 0 1000.00 -999 ? >ILE~D 75 17.58 -3.39 106.03 18.21 -4.58 105.76 17.90 -3.99 105.89 3 0 1000.00 -999 ? >GLY~D 76 14.42 -0.93 104.14 14.89 -0.42 104.71 14.66 -0.68 104.43 1 0 1000.00 -999 ? >ALA~D 77 15.34 2.39 105.61 15.47 2.55 107.12 15.41 2.47 106.36 2 0 1000.00 -999 ? >TYR~D 78 20.60 4.19 104.50 22.02 6.68 104.37 21.31 5.43 104.43 3 0 1000.00 -999 ? >GLY~D 79 19.69 3.86 100.29 19.98 3.26 100.71 19.83 3.56 100.50 1 0 1000.00 -999 ? >PHE~D 80 21.96 1.38 95.18 23.02 -0.35 93.25 22.49 0.52 94.22 3 0 1000.00 -999 ? >LYS~D 81 24.84 2.13 98.78 27.44 4.58 94.86 26.14 3.36 96.82 2 0 1000.00 -999 ? >ASP~D 82 22.95 1.81 103.20 23.89 3.50 103.93 23.42 2.66 103.56 2 0 1000.00 -999 ? >ILE~D 83 20.96 -2.25 100.19 19.63 -2.68 99.92 20.29 -2.46 100.05 3 0 1000.00 -999 ? >LEU~D 84 25.69 -1.94 97.79 25.30 -2.15 95.75 25.49 -2.04 96.77 3 0 1000.00 -999 ? >ARG~D 85 28.91 0.61 103.50 27.88 3.20 102.16 28.39 1.91 102.83 2 0 1000.00 -999 ? >GLU~D 86 23.78 -4.79 105.97 25.05 -3.74 107.34 24.41 -4.27 106.66 2 0 1000.00 -999 ? >ALA~D 87 25.14 -7.18 101.08 24.60 -6.87 99.65 24.87 -7.03 100.37 2 0 1000.00 -999 ? >LEU~D 88 29.82 -5.99 100.79 31.68 -5.97 99.69 30.75 -5.98 100.24 3 0 1000.00 -999 ? >ARG~D 89 28.78 -5.88 107.78 26.46 -5.51 109.76 27.62 -5.70 108.77 2 0 1000.00 -999 ? >PHE~D 90 24.80 -10.50 106.18 23.99 -9.36 108.64 24.40 -9.93 107.41 3 0 1000.00 -999 ? >GLY~D 91 28.70 -12.09 101.57 28.01 -11.84 101.54 28.35 -11.97 101.55 1 0 1000.00 -999 ? >LEU~D 92 24.46 -11.05 99.26 23.06 -11.95 100.63 23.76 -11.50 99.95 3 0 1000.00 -999 ? >ILE~D 93 27.23 -8.42 96.13 26.61 -7.20 96.44 26.92 -7.81 96.29 3 0 1000.00 -999 ? >GLY~D 94 31.38 -10.18 95.50 30.99 -9.46 95.51 31.18 -9.82 95.50 1 0 1000.00 -999 ? >ASP~D 95 33.15 -6.59 93.10 34.01 -4.68 92.77 33.58 -5.63 92.94 2 0 1000.00 -999 ? >MET?D 96 30.27 -3.70 95.53 30.11 -1.24 98.96 30.19 -2.47 97.24 2 0 1000.00 -999 ? >SER~D 97 32.01 -1.50 92.95 33.92 -1.77 91.35 32.96 -1.63 92.15 2 0 1000.00 -999 ? >LYS~D 98 30.30 -3.35 90.05 33.50 -7.46 88.24 31.90 -5.40 89.14 2 0 1000.00 -999 ? >TRP~D 99 27.10 -5.91 92.81 23.70 -7.20 91.29 25.40 -6.55 92.05 3 0 1000.00 -999 ? >VAL~D 100 27.14 0.86 91.83 28.22 2.46 92.84 27.68 1.66 92.33 3 0 1000.00 -999 ? >ALA~D 101 27.96 0.80 88.11 29.10 0.00 87.49 28.53 0.40 87.80 2 0 1000.00 -999 ? >TYR~D 102 25.70 -3.77 87.60 27.85 -5.57 87.43 26.78 -4.67 87.51 3 0 1000.00 -999 ? >ARG~D 103 21.53 3.56 91.90 23.52 5.54 93.23 22.52 4.55 92.57 2 0 1000.00 -999 ? >ASP~D 104 25.34 4.33 86.55 26.07 5.29 88.31 25.71 4.81 87.43 2 0 1000.00 -999 ? >MET?D 105 23.48 1.67 83.59 26.00 -1.68 83.10 24.74 -0.01 83.34 2 0 1000.00 -999 ? >ARG~D 106 16.98 0.24 85.54 13.92 0.18 85.85 15.45 0.21 85.70 2 0 1000.00 -999 ? >ASN~D 107 19.79 5.55 86.11 18.69 5.17 87.91 19.24 5.36 87.01 2 0 1000.00 -999 ? >ILE~D 108 22.11 5.88 81.33 23.40 6.07 81.66 22.76 5.97 81.49 3 0 1000.00 -999 ? >THR~D 109 18.77 2.66 79.70 18.62 0.96 81.05 18.69 1.81 80.37 2 0 1000.00 -999 ? >SER~D 110 16.06 5.25 79.11 16.25 6.44 81.21 16.15 5.85 80.16 2 0 1000.00 -999 ? >HIS~D 111 19.08 8.37 78.23 18.48 9.76 79.68 18.78 9.06 78.96 3 0 1000.00 -999 ? >THR~D 112 19.36 3.50 74.92 19.64 1.52 75.78 19.50 2.51 75.35 2 0 1000.00 -999 ? >TYR~D 113 16.37 6.80 72.41 17.42 9.22 73.39 16.89 8.01 72.90 3 0 1000.00 -999 ? >ASP~D 114 21.41 6.35 71.42 23.04 7.00 70.21 22.22 6.68 70.81 2 0 1000.00 -999 ? >GLN~D 115 20.32 2.30 66.98 19.35 4.23 67.11 19.84 3.26 67.04 2 0 1000.00 -999 ? >GLU~D 116 26.26 5.62 68.37 27.08 7.57 68.27 26.67 6.59 68.32 2 0 1000.00 -999 ? >LYS~D 117 24.54 4.04 73.62 21.89 9.17 76.35 23.22 6.61 74.98 2 0 1000.00 -999 ? >ALA~D 118 22.85 0.71 73.27 22.02 0.30 72.05 22.43 0.50 72.66 2 0 1000.00 -999 ? >MET?D 119 26.42 -0.63 72.59 27.50 -3.30 71.07 26.96 -1.96 71.83 2 0 1000.00 -999 ? >ALA~D 120 27.77 1.08 75.65 27.35 2.46 76.16 27.56 1.77 75.91 2 0 1000.00 -999 ? >VAL~D 121 25.41 -0.81 77.97 23.42 -0.34 78.76 24.41 -0.57 78.36 3 0 1000.00 -999 ? >TYR~D 122 25.13 -5.99 74.28 25.36 -8.73 73.76 25.24 -7.36 74.02 3 0 1000.00 -999 ? >ALA~D 123 29.26 -4.14 76.65 30.13 -2.97 76.42 29.69 -3.55 76.53 2 0 1000.00 -999 ? >GLN~D 124 29.26 -1.93 80.98 28.35 -0.22 81.84 28.81 -1.07 81.41 2 0 1000.00 -999 ? >ILE~D 125 25.40 -7.57 79.20 23.95 -7.76 78.94 24.68 -7.66 79.07 3 0 1000.00 -999 ? >ASP~D 126 30.35 -10.27 79.34 29.81 -11.29 77.58 30.08 -10.78 78.46 2 0 1000.00 -999 ? >ASP~D 127 31.17 -7.44 83.84 32.07 -7.24 85.76 31.62 -7.34 84.80 2 0 1000.00 -999 ? >PHE~D 128 24.50 -7.62 85.06 22.10 -7.90 86.52 23.30 -7.76 85.79 3 0 1000.00 -999 ? >LEU~D 129 26.40 -12.59 82.94 24.88 -12.62 81.43 25.64 -12.60 82.19 3 0 1000.00 -999 ? >ILE~D 130 30.67 -12.59 86.35 32.02 -12.48 86.96 31.34 -12.53 86.65 3 0 1000.00 -999 ? >GLU~D 131 29.60 -8.93 89.36 31.09 -9.93 90.54 30.34 -9.43 89.95 2 0 1000.00 -999 ? >SER~D 132 24.30 -11.42 89.22 23.84 -11.01 86.83 24.07 -11.21 88.02 2 0 1000.00 -999 ? >SER~D 133 25.26 -15.12 89.11 25.77 -17.21 88.00 25.52 -16.17 88.55 2 0 1000.00 -999 ? >PHE~D 134 29.24 -13.86 93.56 30.59 -14.26 96.00 29.92 -14.06 94.78 3 0 1000.00 -999 ? >LEU~D 135 23.67 -11.96 93.58 21.93 -10.94 94.43 22.80 -11.45 94.01 3 0 1000.00 -999 ? >LEU~D 136 21.67 -16.18 91.28 20.08 -17.40 90.48 20.88 -16.79 90.88 3 0 1000.00 -999 ? >GLU~D 137 26.09 -19.16 92.60 28.20 -19.28 92.33 27.15 -19.22 92.46 2 0 1000.00 -999 ? >GLN~D 138 26.54 -15.35 97.54 27.98 -16.73 98.33 27.26 -16.04 97.94 2 0 1000.00 -999 ? >LEU~D 139 19.93 -15.68 96.49 19.60 -13.57 96.75 19.76 -14.62 96.62 3 0 1000.00 -999 ? >ARG~D 140 20.50 -22.76 93.61 19.23 -21.00 91.34 19.87 -21.88 92.47 2 0 1000.00 -999 ? >GLN~D 141 24.18 -21.46 98.80 26.17 -20.88 99.17 25.18 -21.17 98.98 2 0 1000.00 -999 ? >ARG~D 142 18.86 -18.68 105.07 18.32 -21.46 106.27 18.59 -20.07 105.67 2 0 1000.00 -999 ?