REMARK SOURCE hebe.pdb HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 06-JUN-05 1ZWY COMPND HYPOTHETICAL UPF0244 PROTEIN VC0702; COMPND 3 CHAIN: A, B, C, D; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: VIBRIO CHOLERAE; SOURCE 3 ORGANISM_TAXID: 666; SOURCE 4 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 5 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 6 EXPRESSION_SYSTEM_STRAIN: BL21(DE3) DERIVATIVES; SOURCE 7 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 8 EXPRESSION_SYSTEM_PLASMID: PMCSG AUTHOR C.CHANG,R.WU,A.JOACHIMIAK,MIDWEST CENTER FOR STRUCTURAL GENOMICS AUTHOR 2 (MCSG) HET MSE A 10 8 HET MSE A 55 8 HET MSE A 97 8 HET MSE A 114 8 HET MSE A 133 8 HET MSE B 1 8 HET MSE B 10 8 HET MSE B 55 8 HET MSE B 97 8 HET MSE B 114 8 HET MSE B 133 8 HET MSE C 10 8 HET MSE C 55 8 HET MSE C 97 8 HET MSE C 114 8 HET MSE C 133 8 HET MSE D 10 8 HET MSE D 55 8 HET MSE D 97 8 HET MSE D 114 8 HET MSE D 133 8 >VAL.A 9 3.79 -15.94 -10.64 3.16 -18.07 -10.64 3.47 -17.01 -10.64 3 0 1000.00 -999 ? >MET?A 10 5.22 -13.73 -7.88 7.40 -14.07 -4.35 6.31 -13.90 -6.11 2 0 1000.00 -999 ? >ARG.A 11 3.95 -8.36 -10.06 5.75 -6.93 -12.08 4.85 -7.65 -11.07 2 0 1000.00 -999 ? >LYS^A 12 9.42 -8.65 -8.44 12.22 -12.29 -12.74 10.82 -10.47 -10.59 2 0 1000.00 -999 ? >ILE^A 13 10.90 -5.27 -5.38 10.37 -4.33 -4.46 10.64 -4.80 -4.92 3 0 1000.00 -999 ? >ILE^A 14 14.64 -4.53 -9.89 15.45 -5.63 -10.56 15.05 -5.08 -10.22 3 0 1000.00 -999 ? >ILE^A 15 17.51 -3.63 -4.70 17.06 -3.99 -3.93 17.29 -3.81 -4.31 3 0 1000.00 -999 ? >ALA.A 16 19.70 -1.23 -8.22 19.44 0.11 -8.95 19.57 -0.56 -8.58 2 0 1000.00 -999 ? >SER.A 17 22.48 -2.60 -6.00 23.61 -2.10 -3.93 23.04 -2.35 -4.96 2 0 1000.00 -999 ? >GLN.A 18 24.23 -7.15 -7.28 25.48 -8.41 -8.42 24.86 -7.78 -7.85 2 0 1000.00 -999 ? >ASN~A 19 24.97 -3.27 -1.16 25.85 -3.07 0.77 25.41 -3.17 -0.19 2 0 1000.00 -999 ? >PRO~A 20 25.14 -8.28 0.81 23.55 -6.71 0.55 24.34 -7.49 0.68 3 0 1000.00 -999 ? >ALA~A 21 22.46 -4.18 3.48 23.56 -3.28 4.03 23.01 -3.73 3.76 2 0 1000.00 -999 ? >LYS~A 22 20.65 -2.22 0.73 24.54 1.91 -2.32 22.60 -0.15 -0.79 2 0 1000.00 -999 ? >VAL~A 23 18.58 -5.26 -0.34 18.79 -6.95 -1.73 18.68 -6.11 -1.04 3 0 1000.00 -999 ? >ASN~A 24 18.73 -6.11 4.52 19.67 -8.04 4.41 19.20 -7.08 4.46 2 0 1000.00 -999 ? >ALA~A 25 16.71 -2.25 3.89 17.60 -1.05 3.64 17.16 -1.65 3.77 2 0 1000.00 -999 ? >VAL~A 26 14.36 -2.34 0.89 14.61 -1.99 -1.26 14.49 -2.16 -0.19 3 0 1000.00 -999 ? >ARG~A 27 13.49 -9.38 3.23 15.58 -9.85 1.00 14.54 -9.61 2.12 2 0 1000.00 -999 ? >SER~A 28 12.24 -4.19 5.53 14.18 -4.82 6.88 13.21 -4.51 6.21 2 0 1000.00 -999 ? >ALA~A 29 10.58 -1.01 4.23 11.22 0.08 3.37 10.90 -0.46 3.80 2 0 1000.00 -999 ? >PHE~A 30 8.71 -2.63 -0.56 8.93 -0.88 -2.74 8.82 -1.75 -1.65 3 0 1000.00 -999 ? >SER~A 31 7.45 -5.43 4.64 9.06 -7.18 4.29 8.25 -6.31 4.46 2 0 1000.00 -999 ? >THR~A 32 6.59 -2.62 7.07 7.73 -1.36 8.40 7.16 -1.99 7.73 2 0 1000.00 -999 ? >VAL~A 33 4.44 -0.56 4.69 4.85 1.33 3.60 4.65 0.38 4.15 3 0 1000.00 -999 ? >PHE~A 34 3.10 -2.19 0.68 3.21 0.33 -0.59 3.15 -0.93 0.04 3 0 1000.00 -999 ? >PRO.A 35 1.24 -4.97 6.66 2.62 -5.70 5.04 1.93 -5.34 5.85 3 0 1000.00 -999 ? >ASP.A 36 -1.21 -7.97 3.25 -2.13 -7.37 5.06 -1.67 -7.67 4.15 2 0 1000.00 -999 ? >GLN.A 37 0.84 -6.17 -0.77 0.42 -5.20 -2.64 0.63 -5.68 -1.71 2 0 1000.00 -999 ? >GLU.A 38 4.66 -13.03 0.08 5.32 -14.99 -0.37 4.99 -14.01 -0.15 2 0 1000.00 -999 ? >TRP.A 39 6.45 -7.15 -5.08 4.77 -5.08 -2.21 5.61 -6.11 -3.64 3 0 1000.00 -999 ? >GLU^A 40 12.21 -12.90 -6.24 12.40 -14.11 -7.98 12.31 -13.51 -7.11 2 0 1000.00 -999 ? >PHE^A 41 12.49 -7.82 -1.87 10.20 -6.76 -0.64 11.35 -7.29 -1.26 3 0 1000.00 -999 ? >ILE^A 42 15.99 -9.44 -7.86 15.84 -10.43 -8.93 15.91 -9.93 -8.40 3 0 1000.00 -999 ? >GLY^A 43 19.66 -7.01 -6.22 19.49 -7.59 -6.80 19.58 -7.30 -6.51 1 0 1000.00 -999 ? >VAL.A 44 21.24 -6.11 -9.57 19.44 -5.68 -10.78 20.34 -5.89 -10.18 3 0 1000.00 -999 ? >SER.A 45 24.48 -4.30 -10.59 26.22 -5.28 -9.22 25.35 -4.79 -9.90 2 0 1000.00 -999 ? >VAL.A 46 24.08 -1.30 -12.94 21.86 -1.17 -12.82 22.97 -1.23 -12.88 3 0 1000.00 -999 ? >PRO.A 47 26.24 0.92 -16.00 25.75 1.22 -13.83 25.99 1.07 -14.91 3 0 1000.00 -999 ? >SER.A 48 25.46 5.07 -11.81 27.39 5.74 -10.53 26.42 5.41 -11.17 2 0 1000.00 -999 ? >GLU.A 49 25.96 6.38 -16.44 23.99 6.15 -17.20 24.98 6.27 -16.82 2 0 1000.00 -999 ? >VAL.A 50 28.69 9.35 -11.58 26.85 9.67 -10.36 27.77 9.51 -10.97 3 0 1000.00 -999 ? >ALA.A 51 31.78 9.13 -9.35 32.40 10.30 -8.58 32.09 9.71 -8.96 2 0 1000.00 -999 ? >ASP.A 52 33.48 5.17 -7.21 33.79 4.23 -9.05 33.64 4.70 -8.13 2 0 1000.00 -999 ? >GLN.A 53 33.05 9.43 -2.14 31.38 8.81 -0.99 32.21 9.12 -1.56 2 0 1000.00 -999 ? >PRO.A 54 28.01 9.51 -5.42 29.92 10.60 -4.90 28.97 10.05 -5.16 3 0 1000.00 -999 ? >MET?A 55 30.89 14.56 -3.71 33.51 13.35 -1.98 32.20 13.95 -2.85 2 0 1000.00 -999 ? >SER~A 56 27.65 16.55 -3.90 26.63 18.51 -4.85 27.14 17.53 -4.37 2 0 1000.00 -999 ? >ASP~A 57 23.09 17.32 -2.50 21.00 16.93 -2.54 22.05 17.13 -2.52 2 0 1000.00 -999 ? >GLU~A 58 22.85 17.89 -9.13 22.99 19.80 -10.09 22.92 18.84 -9.61 2 0 1000.00 -999 ? >GLU~A 59 27.82 12.88 -8.40 29.91 13.06 -8.44 28.87 12.97 -8.42 2 0 1000.00 -999 ? >THR~A 60 24.38 11.57 -5.23 24.70 11.48 -3.07 24.54 11.53 -4.15 2 0 1000.00 -999 ? >LYS~A 61 20.76 11.95 -6.34 15.25 15.08 -6.83 18.00 13.52 -6.58 2 0 1000.00 -999 ? >GLN~A 62 21.94 13.97 -11.08 20.21 13.68 -12.31 21.07 13.82 -11.70 2 0 1000.00 -999 ? >GLY~A 63 23.52 8.45 -9.38 22.73 8.64 -9.23 23.13 8.54 -9.30 1 0 1000.00 -999 ? >ALA~A 64 20.50 6.86 -7.68 19.82 7.30 -6.34 20.16 7.08 -7.01 2 0 1000.00 -999 ? >LEU~A 65 18.03 9.56 -10.92 16.48 10.97 -10.25 17.26 10.26 -10.58 3 0 1000.00 -999 ? >ASN~A 66 22.06 7.10 -13.37 22.42 9.14 -13.98 22.24 8.12 -13.68 2 0 1000.00 -999 ? >ARG~A 67 23.39 2.34 -8.93 26.41 2.47 -8.33 24.90 2.40 -8.63 2 0 1000.00 -999 ? >VAL~A 68 16.99 3.02 -11.32 15.31 3.72 -10.06 16.15 3.37 -10.69 3 0 1000.00 -999 ? >ARG~A 69 17.50 6.73 -17.74 20.56 6.52 -17.59 19.03 6.62 -17.67 2 0 1000.00 -999 ? >ASN~A 70 20.97 1.58 -15.59 21.95 3.15 -16.71 21.46 2.37 -16.15 2 0 1000.00 -999 ? >ALA~A 71 17.83 -1.27 -13.87 17.59 -1.16 -12.34 17.71 -1.22 -13.10 2 0 1000.00 -999 ? >LYS~A 72 14.50 -0.64 -15.65 10.10 3.53 -13.95 12.30 1.44 -14.80 2 0 1000.00 -999 ? >GLN~A 73 17.28 -0.04 -21.17 18.71 -1.43 -21.97 18.00 -0.74 -21.57 2 0 1000.00 -999 ? >ARG~A 74 22.02 -4.38 -17.36 23.66 -1.75 -17.63 22.84 -3.07 -17.49 2 0 1000.00 -999 ? >HIS~A 75 17.39 -6.55 -14.51 19.41 -7.08 -14.38 18.40 -6.82 -14.44 3 0 1000.00 -999 ? >PRO.A 76 12.81 -5.95 -19.49 12.77 -5.16 -17.37 12.79 -5.56 -18.43 3 0 1000.00 -999 ? >GLY.A 77 8.84 -6.26 -15.90 9.23 -5.81 -15.42 9.03 -6.04 -15.66 1 0 1000.00 -999 ? >ALA.A 78 9.27 -5.58 -12.15 10.60 -5.35 -11.42 9.93 -5.47 -11.79 2 0 1000.00 -999 ? >GLU.A 79 4.49 -3.69 -8.78 3.12 -4.38 -7.34 3.81 -4.03 -8.06 2 0 1000.00 -999 ? >TYR^A 80 7.49 -1.05 -6.36 4.84 -0.62 -5.58 6.17 -0.83 -5.97 3 0 1000.00 -999 ? >TYR^A 81 12.73 -0.89 -11.30 11.99 -2.65 -13.35 12.36 -1.77 -12.33 3 0 1000.00 -999 ? >VAL^A 82 14.75 1.05 -5.97 13.94 0.65 -3.94 14.35 0.85 -4.95 3 0 1000.00 -999 ? >GLY^A 83 17.92 3.19 -5.99 17.37 3.18 -5.31 17.64 3.18 -5.65 1 0 1000.00 -999 ? >LEU^A 84 19.53 2.66 -1.83 19.57 2.58 0.35 19.55 2.62 -0.74 3 0 1000.00 -999 ? >GLU^A 85 24.40 7.36 -4.58 25.37 7.19 -6.43 24.89 7.28 -5.50 2 0 1000.00 -999 ? >ALA^A 86 25.16 7.45 -0.28 25.89 6.64 0.83 25.52 7.05 0.27 2 0 1000.00 -999 ? >GLY^A 87 27.14 10.64 -0.86 26.89 10.63 -0.07 27.02 10.63 -0.46 1 0 1000.00 -999 ? >ILE^A 88 30.41 13.26 1.03 31.47 12.97 1.95 30.94 13.11 1.49 3 0 1000.00 -999 ? >GLU^A 89 27.57 19.27 -0.79 25.90 20.10 -1.75 26.73 19.68 -1.27 2 0 1000.00 -999 ? >GLU.A 90 29.23 21.78 2.32 28.01 23.29 3.24 28.62 22.54 2.78 2 0 1000.00 -999 ? >ASN.A 91 31.73 18.56 7.20 30.22 19.68 8.22 30.98 19.12 7.71 2 0 1000.00 -999 ? >LYS^A 92 27.96 15.88 5.64 26.59 20.01 8.15 27.28 17.94 6.89 2 0 1000.00 -999 ? >THR^A 93 26.96 12.45 4.43 27.63 10.43 4.95 27.30 11.44 4.69 2 0 1000.00 -999 ? >PHE^A 94 23.43 13.39 2.08 24.88 14.70 0.07 24.16 14.05 1.08 3 0 1000.00 -999 ? >ALA^A 95 21.82 8.95 0.99 21.70 7.54 1.49 21.76 8.25 1.24 2 0 1000.00 -999 ? >TRP^A 96 20.42 12.55 -2.77 16.78 14.06 -2.72 18.60 13.30 -2.75 3 0 1000.00 -999 ? >MET?A 97 16.41 6.90 -2.00 17.84 6.64 0.99 17.13 6.77 -0.50 2 0 1000.00 -999 ? >ILE^A 98 15.23 6.87 -6.64 14.97 8.27 -7.13 15.10 7.57 -6.88 3 0 1000.00 -999 ? >VAL^A 99 11.48 4.26 -5.75 10.45 3.30 -4.07 10.96 3.78 -4.91 3 0 1000.00 -999 ? >GLU^A 100 11.40 5.68 -10.33 12.51 6.18 -12.07 11.96 5.93 -11.20 2 0 1000.00 -999 ? >SER.A 101 6.95 1.96 -10.45 4.89 3.25 -10.36 5.92 2.60 -10.41 2 0 1000.00 -999 ? >ASP.A 102 5.56 0.89 -14.99 7.02 -0.69 -15.22 6.29 0.10 -15.10 2 0 1000.00 -999 ? >GLN.A 103 1.93 4.40 -12.53 1.28 2.44 -13.04 1.61 3.42 -12.79 2 0 1000.00 -999 ? >GLN.A 104 3.63 7.63 -8.57 1.76 7.03 -7.65 2.69 7.33 -8.11 2 0 1000.00 -999 ? >ARG^A 105 11.76 10.06 -9.42 12.12 10.41 -12.50 11.94 10.24 -10.96 2 0 1000.00 -999 ? >GLY^A 106 8.94 8.71 -4.91 9.64 8.47 -5.41 9.29 8.59 -5.16 1 0 1000.00 -999 ? >GLU^A 107 12.31 12.15 -4.66 12.93 13.14 -6.44 12.62 12.64 -5.55 2 0 1000.00 -999 ? >SER^A 108 13.63 11.06 -0.07 13.34 10.75 2.34 13.48 10.91 1.14 2 0 1000.00 -999 ? >ARG^A 109 19.96 14.52 0.67 21.09 16.99 2.15 20.53 15.76 1.41 2 0 1000.00 -999 ? >SER.A 110 18.03 10.49 4.52 20.24 9.48 4.42 19.14 9.99 4.47 2 0 1000.00 -999 ? >ALA.A 111 18.89 12.67 7.57 18.50 12.30 9.05 18.70 12.48 8.31 2 0 1000.00 -999 ? >CYH.A 112 22.42 14.03 7.14 22.47 16.85 7.04 22.44 15.44 7.09 2 0 1000.00 -999 ? >LEU^A 113 25.33 12.57 10.34 25.82 10.59 9.56 25.57 11.58 9.95 3 0 1000.00 -999 ? >MET?A 114 28.68 15.47 10.13 28.31 18.93 12.56 28.49 17.20 11.35 2 0 1000.00 -999 ? >LEU^A 115 32.04 12.80 8.06 31.18 11.01 7.17 31.61 11.91 7.62 3 0 1000.00 -999 ? >PRO^A 116 34.32 11.35 12.40 34.23 13.26 11.20 34.27 12.31 11.80 3 0 1000.00 -999 ? >PRO^A 117 37.10 17.23 12.19 36.86 15.70 10.54 36.98 16.47 11.37 3 0 1000.00 -999 ? >LEU^A 118 40.46 12.34 11.24 42.34 11.37 11.54 41.40 11.86 11.39 3 0 1000.00 -999 ? >VAL^A 119 37.63 11.09 7.90 35.95 9.69 8.39 36.79 10.39 8.14 3 0 1000.00 -999 ? >LEU^A 120 36.13 15.21 5.84 34.01 15.47 6.14 35.07 15.34 5.99 3 0 1000.00 -999 ? >GLU^A 121 41.27 16.41 6.90 42.38 16.66 8.71 41.82 16.53 7.80 2 0 1000.00 -999 ? >ARG^A 122 43.41 9.16 6.84 43.90 8.51 9.82 43.66 8.83 8.33 2 0 1000.00 -999 ? >LEU^A 123 37.07 11.21 2.39 35.31 11.93 1.38 36.19 11.57 1.89 3 0 1000.00 -999 ? >ARG^A 124 40.85 17.44 -0.13 42.98 18.46 1.86 41.92 17.95 0.86 2 0 1000.00 -999 ? >GLN^A 125 45.19 12.22 1.05 44.93 14.06 2.10 45.06 13.14 1.57 2 0 1000.00 -999 ? >ALA^A 126 41.42 8.87 -2.20 41.59 7.59 -1.38 41.51 8.23 -1.79 2 0 1000.00 -999 ? >GLU^A 128 37.44 2.16 -1.06 36.20 0.83 -2.18 36.82 1.49 -1.62 2 0 1000.00 -999 ? >LEU^A 129 33.49 6.00 3.06 32.23 7.36 4.26 32.86 6.68 3.66 3 0 1000.00 -999 ? >GLY^A 130 34.80 2.07 4.86 35.49 2.52 4.71 35.14 2.29 4.79 1 0 1000.00 -999 ? >ASP^A 131 39.52 1.74 3.80 39.26 0.07 2.51 39.39 0.91 3.16 2 0 1000.00 -999 ? >VAL^A 132 38.84 5.18 6.66 38.92 7.22 5.78 38.88 6.20 6.22 3 0 1000.00 -999 ? >MET?A 133 36.29 4.59 9.46 33.71 6.95 10.08 35.00 5.77 9.77 2 0 1000.00 -999 ? >ASP^A 134 38.03 0.04 9.21 36.40 -1.30 9.09 37.21 -0.63 9.15 2 0 1000.00 -999 ? >GLU^A 135 43.26 4.16 10.17 45.02 3.90 9.01 44.14 4.03 9.59 2 0 1000.00 -999 ? >VAL^A 136 39.84 5.87 12.62 39.19 7.87 11.91 39.52 6.87 12.26 3 0 1000.00 -999 ? >PHE^A 137 35.39 5.01 14.44 34.15 7.44 13.89 34.77 6.22 14.17 3 0 1000.00 -999 ? >GLY^A 138 39.62 0.70 15.48 38.85 0.71 15.23 39.23 0.70 15.36 1 0 1000.00 -999 ? >GLY^A 146 25.71 -0.40 12.24 26.39 -0.37 11.75 26.05 -0.39 11.99 1 0 1000.00 -999 ? >GLY^A 147 27.87 1.66 9.83 27.86 1.72 10.64 27.86 1.69 10.24 1 0 1000.00 -999 ? >ALA^A 148 29.38 5.09 10.49 29.70 6.08 9.37 29.54 5.58 9.93 2 0 1000.00 -999 ? >ILE^A 149 24.57 6.05 11.19 23.41 6.42 10.57 23.99 6.24 10.88 3 0 1000.00 -999 ? >GLY^A 150 26.08 3.25 14.40 26.65 3.86 14.26 26.37 3.55 14.33 1 0 1000.00 -999 ? >LEU^A 151 30.88 4.07 14.56 32.25 2.41 14.21 31.56 3.24 14.39 3 0 1000.00 -999 ? >LEU^A 152 29.06 8.79 14.53 30.73 9.41 13.26 29.90 9.10 13.89 3 0 1000.00 -999 ? >THR^A 153 25.79 7.69 17.62 24.23 7.36 16.13 25.01 7.53 16.88 2 0 1000.00 -999 ? >ARG^A 154 28.77 6.22 23.06 27.44 8.64 24.53 28.10 7.43 23.80 2 0 1000.00 -999 ? >HIS^A 155 25.70 0.88 18.23 27.26 0.19 17.02 26.48 0.53 17.63 3 0 1000.00 -999 ? >HIS^A 156 21.92 6.41 21.42 22.54 6.11 23.40 22.23 6.26 22.41 3 0 1000.00 -999 ? >LEU^A 157 20.78 6.34 14.80 19.17 7.88 14.92 19.98 7.11 14.86 3 0 1000.00 -999 ? >THR^A 158 22.14 2.62 12.90 21.31 0.69 13.42 21.73 1.65 13.16 2 0 1000.00 -999 ? >ARG^A 159 24.47 1.91 5.91 26.84 0.05 6.25 25.65 0.98 6.08 2 0 1000.00 -999 ? >SER^A 160 19.59 0.51 8.74 19.61 -1.30 10.33 19.60 -0.39 9.53 2 0 1000.00 -999 ? >THR^A 161 17.21 2.49 11.06 17.73 2.27 13.17 17.47 2.38 12.11 2 0 1000.00 -999 ? >VAL^A 162 18.06 5.84 9.38 19.61 7.38 9.74 18.83 6.61 9.56 3 0 1000.00 -999 ? >TYR^A 163 19.90 3.74 4.69 22.45 4.49 3.80 21.17 4.12 4.24 3 0 1000.00 -999 ? >HIS^A 164 12.80 1.26 8.36 11.03 0.15 8.49 11.92 0.71 8.42 3 0 1000.00 -999 ? >GLN^A 165 13.06 6.80 9.99 12.66 8.36 11.36 12.86 7.58 10.67 2 0 1000.00 -999 ? >ALA^A 166 13.94 7.60 4.16 15.41 7.90 3.74 14.68 7.75 3.95 2 0 1000.00 -999 ? >LEU^A 167 13.20 3.07 2.48 14.77 2.05 1.28 13.98 2.56 1.88 3 0 1000.00 -999 ? >ILE^A 168 8.88 4.70 5.45 8.19 4.11 6.55 8.54 4.40 6.00 3 0 1000.00 -999 ? >LEU^A 169 10.08 9.64 3.52 9.92 10.67 5.43 10.00 10.15 4.48 3 0 1000.00 -999 ? >ALA^A 170 10.07 7.68 -0.57 11.39 7.06 -1.08 10.73 7.37 -0.82 2 0 1000.00 -999 ? >LEU^A 171 6.94 4.13 0.18 8.00 2.25 -0.51 7.47 3.19 -0.17 3 0 1000.00 -999 ? >ILE^A 172 4.91 9.51 0.75 4.76 10.53 1.71 4.84 10.02 1.23 3 0 1000.00 -999 ? >PRO^A 173 5.43 9.83 -3.98 3.80 8.68 -2.96 4.61 9.26 -3.47 3 0 1000.00 -999 ? >PHE^A 174 4.81 4.28 -4.88 6.89 4.98 -6.63 5.85 4.63 -5.76 3 0 1000.00 -999 ? >ILE^A 175 1.39 5.30 0.87 1.84 5.11 2.24 1.61 5.20 1.55 3 0 1000.00 -999 ? >ASN^A 176 -0.74 9.21 -0.66 -0.27 8.71 1.36 -0.50 8.96 0.35 2 0 1000.00 -999 ? >PRO^A 177 -3.32 5.81 -4.58 -2.07 7.69 -4.47 -2.70 6.75 -4.52 3 0 1000.00 -999 ? >GLU^A 178 -6.30 9.53 -2.70 -4.54 8.93 -1.69 -5.42 9.23 -2.20 2 0 1000.00 -999 ? >HIS^A 179 -3.26 13.36 -1.41 -4.97 13.71 -0.24 -4.12 13.53 -0.82 3 0 1000.00 -999 ? >TYR^A 180 1.93 12.08 -4.15 2.75 13.19 -1.69 2.34 12.63 -2.92 3 0 1000.00 -999 ? >ALA^B 0 3.80 19.34 48.74 2.84 18.31 49.29 3.32 18.82 49.02 2 0 1000.00 -999 ? >MET?B 1 6.52 18.78 46.07 5.13 17.43 43.39 5.82 18.11 44.73 2 0 1000.00 -999 ? >PRO^B 2 10.44 16.83 45.44 9.50 18.27 46.94 9.97 17.55 46.19 3 0 1000.00 -999 ? >PRO^B 3 11.87 21.42 50.03 11.40 21.23 47.79 11.63 21.32 48.91 3 0 1000.00 -999 ? >ILE^B 4 13.70 24.31 43.84 13.21 24.00 43.01 13.45 24.15 43.43 3 0 1000.00 -999 ? >ILE^B 5 17.04 24.45 48.02 16.82 25.39 48.99 16.93 24.92 48.51 3 0 1000.00 -999 ? >LYS^B 6 16.63 19.70 47.91 13.80 19.16 53.65 15.21 19.43 50.78 2 0 1000.00 -999 ? >ARG^B 7 13.19 19.53 42.62 10.37 20.55 42.07 11.78 20.04 42.34 2 0 1000.00 -999 ? >ARG^B 8 21.49 14.84 41.29 21.77 11.78 41.50 21.63 13.31 41.39 2 0 1000.00 -999 ? >VAL^B 9 21.50 20.14 40.81 22.90 21.61 41.70 22.20 20.87 41.26 3 0 1000.00 -999 ? >MET?B 10 21.48 20.08 37.00 17.72 18.22 36.15 19.60 19.15 36.58 2 0 1000.00 -999 ? >ARG^B 11 25.42 23.76 33.63 27.24 25.03 31.55 26.33 24.40 32.59 2 0 1000.00 -999 ? >LYS^B 12 20.05 23.72 31.65 17.86 28.30 35.44 18.95 26.01 33.54 2 0 1000.00 -999 ? >ILE^B 13 19.20 21.70 27.43 19.68 20.57 26.70 19.44 21.14 27.07 3 0 1000.00 -999 ? >ILE^B 14 18.40 27.47 26.19 17.50 28.46 26.83 17.95 27.96 26.51 3 0 1000.00 -999 ? >ILE^B 15 14.36 24.35 23.25 14.23 23.45 23.52 14.30 23.90 23.39 3 0 1000.00 -999 ? >ALA^B 16 14.99 28.33 20.92 16.03 28.80 19.87 15.51 28.56 20.39 2 0 1000.00 -999 ? >SER^B 17 11.24 27.74 20.78 9.65 26.40 19.62 10.44 27.07 20.20 2 0 1000.00 -999 ? >GLN^B 18 8.20 30.36 23.86 8.61 30.15 25.95 8.41 30.26 24.90 2 0 1000.00 -999 ? >ASN^B 19 6.65 24.80 19.54 5.26 23.37 18.73 5.95 24.08 19.13 2 0 1000.00 -999 ? >PRO^B 20 3.70 23.15 23.87 5.80 22.81 23.06 4.75 22.98 23.47 3 0 1000.00 -999 ? >ALA^B 21 6.46 19.65 20.66 5.72 19.49 19.37 6.09 19.57 20.01 2 0 1000.00 -999 ? >LYS^B 22 9.94 21.09 20.01 10.27 25.24 15.13 10.11 23.16 17.57 2 0 1000.00 -999 ? >VAL^B 23 10.89 21.19 23.73 10.51 22.50 25.44 10.70 21.85 24.58 3 0 1000.00 -999 ? >ASN^B 24 8.22 17.17 23.98 7.17 17.45 25.80 7.70 17.31 24.89 2 0 1000.00 -999 ? >ALA^B 25 11.63 16.42 21.00 11.50 17.00 19.53 11.57 16.71 20.26 2 0 1000.00 -999 ? >VAL^B 26 14.81 17.93 22.47 15.83 19.91 22.27 15.32 18.92 22.37 3 0 1000.00 -999 ? >ARG^B 27 12.04 16.60 29.20 9.88 18.81 29.04 10.96 17.71 29.12 2 0 1000.00 -999 ? >SER^B 28 13.52 13.00 24.33 12.53 11.22 23.12 13.02 12.11 23.73 2 0 1000.00 -999 ? >ALA^B 29 16.80 13.14 22.29 17.13 14.15 21.16 16.97 13.64 21.73 2 0 1000.00 -999 ? >PHE^B 30 19.89 16.54 25.22 21.52 18.44 23.96 20.70 17.49 24.59 3 0 1000.00 -999 ? >SER^B 31 17.40 11.77 27.69 15.01 11.72 27.25 16.21 11.75 27.47 2 0 1000.00 -999 ? >THR^B 32 18.03 8.94 25.13 16.83 8.28 23.39 17.43 8.61 24.26 2 0 1000.00 -999 ? >VAL^B 33 21.62 9.76 24.14 22.32 10.87 22.37 21.97 10.32 23.26 3 0 1000.00 -999 ? >PHE^B 34 24.18 12.69 26.51 25.70 13.63 24.32 24.94 13.16 25.41 3 0 1000.00 -999 ? >PRO^B 35 21.95 6.76 28.89 21.27 8.83 29.45 21.61 7.79 29.17 3 0 1000.00 -999 ? >ASP^B 36 24.47 8.17 33.10 24.14 6.10 32.89 24.30 7.14 32.99 2 0 1000.00 -999 ? >GLN^B 37 25.61 12.88 31.84 26.76 13.48 30.12 26.18 13.18 30.98 2 0 1000.00 -999 ? >GLU^B 38 19.33 13.29 35.24 18.34 13.08 37.04 18.84 13.18 36.14 2 0 1000.00 -999 ? >TRP^B 39 22.08 19.76 30.75 23.06 16.25 29.30 22.57 18.00 30.03 3 0 1000.00 -999 ? >GLU^B 40 15.21 22.97 33.84 15.13 24.42 35.39 15.17 23.69 34.61 2 0 1000.00 -999 ? >PHE^B 41 15.19 19.43 28.48 17.01 17.32 28.24 16.10 18.38 28.36 3 0 1000.00 -999 ? >ILE^B 42 14.56 26.31 29.82 14.74 27.11 31.03 14.65 26.71 30.43 3 0 1000.00 -999 ? >GLY^B 43 12.04 27.03 26.00 12.21 27.43 26.71 12.13 27.23 26.36 1 0 1000.00 -999 ? >VAL^B 44 12.65 30.66 25.10 14.87 30.80 25.49 13.76 30.73 25.29 3 0 1000.00 -999 ? >SER^B 45 11.24 33.11 22.56 9.05 33.22 23.62 10.15 33.17 23.09 2 0 1000.00 -999 ? >VAL^B 46 13.70 34.65 20.11 15.58 33.68 20.88 14.64 34.17 20.50 3 0 1000.00 -999 ? >PRO^B 47 14.57 37.75 17.09 13.61 35.67 17.13 14.09 36.71 17.11 3 0 1000.00 -999 ? >SER^B 48 14.80 33.58 13.48 13.04 33.41 11.87 13.92 33.49 12.68 2 0 1000.00 -999 ? >GLU^B 49 16.74 37.84 13.22 18.74 38.27 13.77 17.74 38.06 13.50 2 0 1000.00 -999 ? >VAL^B 50 14.21 34.85 8.25 15.40 32.98 8.39 14.80 33.91 8.32 3 0 1000.00 -999 ? >ALA^B 51 10.77 34.15 6.76 10.42 33.79 5.31 10.60 33.97 6.03 2 0 1000.00 -999 ? >ASP^B 52 6.65 33.14 9.09 6.57 34.83 10.36 6.61 33.99 9.73 2 0 1000.00 -999 ? >GLN^B 53 6.72 28.54 4.47 7.16 26.73 5.46 6.94 27.63 4.96 2 0 1000.00 -999 ? >PRO^B 54 12.22 29.01 7.23 11.04 29.49 5.35 11.63 29.25 6.29 3 0 1000.00 -999 ? >MET?B 55 11.60 28.68 1.23 8.19 28.35 0.86 9.90 28.52 1.04 2 0 1000.00 -999 ? >SER^B 56 15.09 27.24 0.71 16.58 29.07 1.04 15.83 28.15 0.88 2 0 1000.00 -999 ? >ASP^B 57 18.31 23.81 1.72 19.72 22.89 2.97 19.01 23.35 2.35 2 0 1000.00 -999 ? >GLU^B 58 21.63 29.47 2.39 22.48 30.56 0.71 22.05 30.01 1.55 2 0 1000.00 -999 ? >GLU^B 59 15.30 31.66 4.73 13.64 32.55 3.79 14.47 32.10 4.26 2 0 1000.00 -999 ? >THR^B 60 15.88 27.12 6.81 14.59 25.41 6.40 15.23 26.27 6.61 2 0 1000.00 -999 ? >LYS^B 61 19.43 26.47 8.15 25.27 24.09 7.82 22.35 25.28 7.98 2 0 1000.00 -999 ? >GLN^B 62 20.69 32.61 8.02 22.69 32.29 8.67 21.69 32.45 8.35 2 0 1000.00 -999 ? >GLY^B 63 16.82 30.45 10.65 17.50 30.00 10.78 17.16 30.23 10.72 1 0 1000.00 -999 ? >ALA^B 64 17.90 27.70 13.06 18.04 26.19 12.67 17.97 26.94 12.87 2 0 1000.00 -999 ? >LEU^B 65 22.48 29.32 12.29 23.96 27.97 11.44 23.22 28.65 11.86 3 0 1000.00 -999 ? >ASN^B 66 19.10 33.45 13.15 20.06 34.15 11.36 19.58 33.80 12.26 2 0 1000.00 -999 ? >ARG^B 67 14.22 29.56 15.56 12.23 31.69 16.49 13.22 30.62 16.02 2 0 1000.00 -999 ? >VAL^B 68 20.50 29.57 18.55 21.51 27.59 18.44 21.01 28.58 18.49 3 0 1000.00 -999 ? >ARG^B 69 24.44 35.36 15.94 21.95 36.83 14.88 23.19 36.10 15.41 2 0 1000.00 -999 ? >ASN^B 70 18.58 35.19 18.77 19.01 36.43 17.04 18.80 35.81 17.90 2 0 1000.00 -999 ? >ALA^B 71 19.00 32.45 22.40 18.62 30.94 22.17 18.81 31.69 22.29 2 0 1000.00 -999 ? >LYS^B 72 22.67 32.56 23.56 27.16 28.73 21.34 24.91 30.65 22.45 2 0 1000.00 -999 ? >GLN^B 73 22.63 38.80 22.41 24.55 39.55 23.08 23.59 39.17 22.74 2 0 1000.00 -999 ? >ARG^B 74 18.33 39.21 23.65 17.61 41.59 25.48 17.97 40.40 24.57 2 0 1000.00 -999 ? >HIS^B 75 17.01 33.69 27.18 15.29 34.90 27.16 16.15 34.30 27.17 3 0 1000.00 -999 ? >PRO^B 76 23.08 35.38 29.49 22.49 33.45 28.45 22.78 34.41 28.97 3 0 1000.00 -999 ? >GLY^B 77 24.17 30.44 31.09 23.98 30.11 30.40 24.08 30.28 30.74 1 0 1000.00 -999 ? >ALA^B 78 22.91 27.10 29.66 21.63 26.96 28.75 22.27 27.03 29.20 2 0 1000.00 -999 ? >GLU^B 79 26.41 22.00 28.94 26.82 20.37 30.21 26.61 21.18 29.57 2 0 1000.00 -999 ? >TYR^B 80 24.16 21.12 25.23 26.23 19.26 25.57 25.19 20.19 25.40 3 0 1000.00 -999 ? >TYR^B 81 22.07 27.90 23.85 22.49 29.41 26.22 22.28 28.66 25.03 3 0 1000.00 -999 ? >VAL^B 82 19.06 23.97 20.36 18.64 21.82 20.73 18.85 22.90 20.55 3 0 1000.00 -999 ? >GLY^B 83 17.37 25.41 17.26 17.55 24.55 17.29 17.46 24.98 17.28 1 0 1000.00 -999 ? >LEU^B 84 14.11 22.48 16.22 12.84 20.76 15.83 13.48 21.62 16.02 3 0 1000.00 -999 ? >GLU^B 85 13.65 27.21 10.51 12.96 29.12 11.31 13.31 28.17 10.91 2 0 1000.00 -999 ? >ALA^B 86 11.13 23.49 9.35 9.67 23.08 9.59 10.40 23.29 9.47 2 0 1000.00 -999 ? >GLY^B 87 11.56 24.64 5.76 11.25 23.86 5.76 11.41 24.25 5.76 1 0 1000.00 -999 ? >ILE^B 88 9.34 24.46 1.63 7.96 24.28 1.07 8.65 24.37 1.35 3 0 1000.00 -999 ? >GLU^B 89 14.97 23.97 -2.13 17.04 24.13 -1.84 16.00 24.05 -1.99 2 0 1000.00 -999 ? >GLU^B 90 12.83 21.04 -4.83 13.41 19.67 -6.36 13.12 20.36 -5.59 2 0 1000.00 -999 ? >ASN^B 91 8.20 19.11 -4.71 9.44 17.43 -5.18 8.82 18.27 -4.95 2 0 1000.00 -999 ? >LYS^B 92 10.42 18.91 -0.35 12.26 15.76 -3.79 11.34 17.33 -2.07 2 0 1000.00 -999 ? >THR^B 93 9.97 19.71 3.33 8.36 19.68 4.81 9.16 19.70 4.07 2 0 1000.00 -999 ? >PHE^B 94 14.11 20.15 4.42 14.60 22.50 2.95 14.35 21.32 3.69 3 0 1000.00 -999 ? >ALA^B 95 13.93 20.63 9.18 13.08 20.34 10.41 13.51 20.49 9.80 2 0 1000.00 -999 ? >TRP^B 96 18.36 23.12 7.22 21.80 21.17 7.44 20.08 22.15 7.33 3 0 1000.00 -999 ? >MET?B 97 18.53 20.87 13.86 15.90 18.91 12.97 17.21 19.89 13.42 2 0 1000.00 -999 ? >ILE^B 98 21.54 24.46 15.02 22.56 24.53 14.03 22.05 24.50 14.52 3 0 1000.00 -999 ? >VAL^B 99 22.91 22.06 18.75 22.38 20.16 19.89 22.65 21.11 19.32 3 0 1000.00 -999 ? >GLU^B 100 25.65 26.02 18.33 25.74 28.07 17.79 25.70 27.04 18.06 2 0 1000.00 -999 ? >SER^B 101 27.64 24.06 23.43 29.77 23.07 22.97 28.71 23.56 23.20 2 0 1000.00 -999 ? >ASP^B 102 30.64 27.27 25.67 31.90 25.64 26.31 31.27 26.45 25.99 2 0 1000.00 -999 ? >GLN^B 103 34.60 26.15 23.51 35.57 25.50 25.27 35.08 25.83 24.39 2 0 1000.00 -999 ? >GLN^B 104 31.10 20.82 19.07 32.69 20.53 17.75 31.90 20.67 18.41 2 0 1000.00 -999 ? >ARG^B 105 26.76 25.18 14.09 27.89 28.05 13.91 27.32 26.62 14.00 2 0 1000.00 -999 ? >GLY^B 106 26.41 19.86 15.88 26.01 20.63 15.82 26.21 20.25 15.85 1 0 1000.00 -999 ? >GLU^B 107 25.62 21.65 12.03 26.02 23.06 10.52 25.82 22.35 11.27 2 0 1000.00 -999 ? >SER^B 108 21.61 17.63 10.99 20.63 15.37 11.05 21.12 16.50 11.02 2 0 1000.00 -999 ? >ARG^B 109 17.95 19.67 5.05 17.46 18.68 2.21 17.71 19.18 3.63 2 0 1000.00 -999 ? >SER^B 110 16.01 15.67 8.85 13.95 16.89 8.69 14.98 16.28 8.77 2 0 1000.00 -999 ? >ALA^B 111 14.97 13.24 6.13 14.47 11.84 6.40 14.72 12.54 6.27 2 0 1000.00 -999 ? >CYH^B 112 12.90 15.07 3.48 14.14 15.04 0.94 13.52 15.06 2.21 2 0 1000.00 -999 ? >LEU^B 113 8.26 14.80 3.63 6.06 14.57 3.61 7.16 14.68 3.62 3 0 1000.00 -999 ? >MET?B 114 7.84 15.11 -1.03 8.36 12.78 -4.53 8.10 13.94 -2.78 2 0 1000.00 -999 ? >LEU^B 115 4.80 18.77 -0.32 5.19 19.63 1.61 5.00 19.20 0.64 3 0 1000.00 -999 ? >PRO^B 116 0.53 16.14 -0.82 2.09 16.89 -2.27 1.31 16.51 -1.55 3 0 1000.00 -999 ? >PRO^B 117 1.83 17.29 -7.14 1.56 18.67 -5.42 1.70 17.98 -6.28 3 0 1000.00 -999 ? >LEU^B 118 -3.05 20.06 -4.26 -5.08 20.94 -4.30 -4.06 20.50 -4.28 3 0 1000.00 -999 ? >VAL^B 119 -0.04 21.70 -1.27 0.51 20.70 0.62 0.24 21.20 -0.32 3 0 1000.00 -999 ? >LEU^B 120 3.87 22.74 -3.98 5.47 21.37 -3.44 4.67 22.06 -3.71 3 0 1000.00 -999 ? >GLU^B 121 -1.15 25.34 -7.31 -2.56 24.31 -8.48 -1.86 24.83 -7.90 2 0 1000.00 -999 ? >ARG^B 122 -4.87 25.95 -3.01 -5.51 28.97 -2.78 -5.19 27.46 -2.90 2 0 1000.00 -999 ? >LEU^B 123 2.53 27.04 -0.38 3.42 26.78 1.58 2.98 26.91 0.60 3 0 1000.00 -999 ? >GLU^B 128 0.19 28.33 8.31 1.12 28.91 10.15 0.66 28.62 9.23 2 0 1000.00 -999 ? >LEU^B 129 3.22 24.83 5.54 4.04 22.98 4.72 3.63 23.91 5.13 3 0 1000.00 -999 ? >GLY^B 130 -0.30 24.25 8.30 -0.58 24.63 7.60 -0.44 24.44 7.95 1 0 1000.00 -999 ? >ASP^B 131 -3.71 27.20 6.58 -4.19 28.46 8.23 -3.95 27.83 7.40 2 0 1000.00 -999 ? >VAL^B 132 -2.84 24.20 3.52 -1.62 24.83 1.83 -2.23 24.52 2.67 3 0 1000.00 -999 ? >MET?B 133 -2.25 20.78 5.07 0.58 19.24 4.29 -0.84 20.01 4.68 2 0 1000.00 -999 ? >ASP^B 134 -6.01 22.24 7.82 -5.22 21.93 9.76 -5.62 22.08 8.79 2 0 1000.00 -999 ? >GLU^B 135 -7.09 24.74 2.96 -6.52 26.02 1.35 -6.80 25.38 2.15 2 0 1000.00 -999 ? >VAL^B 136 -5.88 19.35 1.53 -4.18 19.39 0.11 -5.03 19.37 0.82 3 0 1000.00 -999 ? >PHE^B 137 -3.66 15.76 3.74 -1.50 15.51 1.97 -2.58 15.63 2.86 3 0 1000.00 -999 ? >GLY^B 138 -8.70 17.64 6.46 -7.88 17.72 6.66 -8.29 17.68 6.56 1 0 1000.00 -999 ? >THR^B 139 -8.24 19.33 9.83 -8.83 21.29 10.52 -8.54 20.31 10.17 2 0 1000.00 -999 ? >GLU^B 140 -11.86 16.89 12.63 -11.03 17.51 14.46 -11.45 17.20 13.54 2 0 1000.00 -999 ? >ASN^B 141 -7.74 13.87 8.13 -7.59 11.93 7.29 -7.67 12.90 7.71 2 0 1000.00 -999 ? >ILE^B 142 -4.03 17.11 9.86 -2.71 17.14 9.19 -3.37 17.13 9.52 3 0 1000.00 -999 ? >LYS^B 143 -4.99 15.80 14.00 -8.44 20.88 15.60 -6.71 18.34 14.80 2 0 1000.00 -999 ? >GLN^B 144 -8.41 11.53 15.01 -9.61 13.29 15.43 -9.01 12.41 15.22 2 0 1000.00 -999 ? >LYS^B 145 -3.11 10.69 12.33 -5.87 7.49 8.69 -4.49 9.09 10.51 2 0 1000.00 -999 ? >GLY^B 146 -0.40 12.64 14.23 -0.66 12.89 13.48 -0.53 12.76 13.85 1 0 1000.00 -999 ? >GLY^B 147 0.21 15.10 11.41 -0.04 14.37 11.17 0.09 14.74 11.29 1 0 1000.00 -999 ? >ALA^B 148 0.90 15.06 7.69 1.43 16.22 6.86 1.16 15.64 7.28 2 0 1000.00 -999 ? >ILE^B 149 5.23 12.79 8.62 6.64 12.91 8.59 5.93 12.85 8.60 3 0 1000.00 -999 ? >GLY^B 150 1.70 10.34 10.20 1.58 10.66 9.45 1.64 10.50 9.82 1 0 1000.00 -999 ? >LEU^B 151 -1.86 11.81 7.25 -3.41 12.33 5.84 -2.64 12.07 6.55 3 0 1000.00 -999 ? >LEU^B 152 2.01 11.14 4.01 1.35 12.87 2.81 1.68 12.01 3.41 3 0 1000.00 -999 ? >THR^B 153 2.98 7.03 5.92 4.63 7.99 6.99 3.80 7.51 6.46 2 0 1000.00 -999 ? >ARG^B 154 -1.68 3.05 4.84 -1.12 1.33 2.34 -1.40 2.19 3.59 2 0 1000.00 -999 ? >HIS^B 155 -1.06 5.55 11.78 -3.10 6.05 11.80 -2.08 5.80 11.79 3 0 1000.00 -999 ? >HIS^B 156 4.21 2.31 8.83 3.04 0.58 8.69 3.62 1.44 8.76 3 0 1000.00 -999 ? >LEU^B 157 7.45 8.15 9.69 9.30 7.20 9.01 8.38 7.67 9.35 3 0 1000.00 -999 ? >THR^B 158 5.49 10.91 12.39 4.72 10.28 14.31 5.11 10.60 13.35 2 0 1000.00 -999 ? >ARG^B 159 6.72 18.24 12.75 4.50 19.91 11.38 5.61 19.08 12.07 2 0 1000.00 -999 ? >SER^B 160 8.28 13.50 15.90 6.56 12.18 16.99 7.42 12.84 16.44 2 0 1000.00 -999 ? >THR^B 161 10.05 10.19 15.06 8.64 8.56 14.73 9.35 9.38 14.90 2 0 1000.00 -999 ? >VAL^B 162 11.63 11.91 12.00 10.94 12.33 9.95 11.28 12.12 10.98 3 0 1000.00 -999 ? >TYR^B 163 11.40 16.94 13.94 10.22 18.97 12.33 10.81 17.95 13.13 3 0 1000.00 -999 ? >HIS^B 164 14.08 10.48 18.50 14.93 9.61 20.20 14.50 10.04 19.35 3 0 1000.00 -999 ? >GLN^B 165 15.61 8.72 13.43 16.00 7.19 12.02 15.81 7.96 12.72 2 0 1000.00 -999 ? >ALA^B 166 17.93 14.26 13.19 17.14 15.24 12.30 17.54 14.75 12.74 2 0 1000.00 -999 ? >LEU^B 167 17.26 15.63 17.88 16.11 17.43 18.21 16.69 16.53 18.05 3 0 1000.00 -999 ? >ILE^B 168 20.00 10.91 17.69 19.78 9.61 18.25 19.89 10.26 17.97 3 0 1000.00 -999 ? >LEU^B 169 22.13 12.94 13.09 22.01 11.02 11.96 22.07 11.98 12.53 3 0 1000.00 -999 ? >ALA^B 170 23.08 16.64 15.56 21.99 17.69 15.69 22.53 17.16 15.62 2 0 1000.00 -999 ? >LEU^B 171 23.62 14.70 20.01 22.29 15.67 21.42 22.96 15.18 20.72 3 0 1000.00 -999 ? >ILE^B 172 27.37 13.03 15.69 27.56 12.10 14.62 27.46 12.57 15.16 3 0 1000.00 -999 ? >PRO^B 173 29.08 17.35 16.25 29.51 15.63 17.72 29.29 16.49 16.98 3 0 1000.00 -999 ? >PHE^B 174 27.78 17.88 21.59 27.42 20.36 20.32 27.60 19.12 20.95 3 0 1000.00 -999 ? >ILE^B 175 27.89 11.15 20.78 26.78 10.31 20.47 27.33 10.73 20.63 3 0 1000.00 -999 ? >ASN^B 176 32.49 11.32 18.81 31.03 9.92 18.47 31.76 10.62 18.64 2 0 1000.00 -999 ? >PRO^B 177 33.83 14.11 23.65 33.98 14.22 21.41 33.91 14.16 22.53 3 0 1000.00 -999 ? >GLU^B 178 37.53 11.01 21.90 35.83 10.19 21.02 36.68 10.60 21.46 2 0 1000.00 -999 ? >HIS^B 179 36.05 10.43 16.51 36.85 8.51 16.82 36.45 9.47 16.66 3 0 1000.00 -999 ? >TYR^B 180 33.01 15.52 15.77 31.82 13.66 14.04 32.41 14.59 14.91 3 0 1000.00 -999 ? >PRO^B 181 39.39 17.55 16.63 37.51 18.39 17.54 38.45 17.97 17.08 3 0 1000.00 -999 ? >SER^B 182 36.51 22.29 19.15 35.61 21.52 21.28 36.06 21.90 20.22 2 0 1000.00 -999 ? >VAL^C 9 21.39 -24.50 -1.07 23.48 -25.23 -1.22 22.43 -24.87 -1.14 3 0 1000.00 -999 ? >MET?C 10 20.10 -22.83 2.14 17.54 -19.56 1.32 18.82 -21.19 1.73 2 0 1000.00 -999 ? >ARG^C 11 20.84 -25.73 7.44 21.14 -27.30 10.06 20.99 -26.51 8.75 2 0 1000.00 -999 ? >LYS^C 12 15.49 -23.85 6.92 14.48 -26.87 2.76 14.98 -25.36 4.84 2 0 1000.00 -999 ? >ILE^C 13 14.18 -20.63 10.23 14.88 -19.65 11.11 14.53 -20.14 10.67 3 0 1000.00 -999 ? >ILE^C 14 10.57 -25.26 11.39 9.70 -25.85 10.35 10.13 -25.55 10.87 3 0 1000.00 -999 ? >ILE^C 15 7.67 -20.06 12.17 8.00 -19.22 11.77 7.84 -19.64 11.97 3 0 1000.00 -999 ? >ALA^C 16 5.52 -23.33 14.81 5.81 -23.90 16.20 5.66 -23.61 15.50 2 0 1000.00 -999 ? >SER^C 17 2.68 -21.25 13.32 1.68 -19.11 13.85 2.18 -20.18 13.59 2 0 1000.00 -999 ? >GLN^C 18 1.16 -22.79 9.10 0.27 -24.17 7.78 0.71 -23.48 8.44 2 0 1000.00 -999 ? >ASN^C 19 -0.05 -16.53 12.41 -0.89 -14.59 12.68 -0.47 -15.56 12.54 2 0 1000.00 -999 ? >PRO^C 20 -0.16 -15.09 6.98 1.33 -15.28 8.65 0.58 -15.18 7.81 3 0 1000.00 -999 ? >ALA^C 21 2.40 -12.12 10.85 1.34 -11.45 11.67 1.87 -11.78 11.26 2 0 1000.00 -999 ? >LYS^C 22 4.33 -14.56 13.10 0.91 -17.32 17.61 2.62 -15.94 15.36 2 0 1000.00 -999 ? >VAL^C 23 6.49 -15.88 10.22 6.21 -17.40 8.64 6.35 -16.64 9.43 3 0 1000.00 -999 ? >ASN^C 24 6.17 -11.33 8.56 5.40 -12.08 6.68 5.79 -11.71 7.62 2 0 1000.00 -999 ? >ALA^C 25 8.21 -11.26 12.73 7.35 -11.47 13.96 7.78 -11.37 13.34 2 0 1000.00 -999 ? >VAL^C 26 10.68 -14.18 12.84 10.51 -16.23 13.55 10.60 -15.20 13.20 3 0 1000.00 -999 ? >ARG^C 27 11.27 -12.57 5.66 9.05 -14.64 5.16 10.16 -13.61 5.41 2 0 1000.00 -999 ? >SER^C 28 12.66 -9.80 10.52 12.01 -7.62 11.35 12.34 -8.71 10.93 2 0 1000.00 -999 ? >ALA^C 29 14.44 -10.73 13.82 13.85 -11.59 14.97 14.14 -11.16 14.39 2 0 1000.00 -999 ? >PHE^C 30 16.41 -15.50 12.28 16.32 -17.56 14.19 16.36 -16.53 13.23 3 0 1000.00 -999 ? >SER^C 31 17.56 -10.37 9.23 15.56 -10.51 7.88 16.56 -10.44 8.55 2 0 1000.00 -999 ? >THR^C 32 18.41 -7.86 11.96 17.28 -6.52 13.25 17.85 -7.19 12.61 2 0 1000.00 -999 ? >VAL^C 33 20.68 -10.08 14.07 20.18 -11.08 15.98 20.43 -10.58 15.02 3 0 1000.00 -999 ? >PHE^C 34 21.96 -14.19 12.64 22.00 -15.41 15.19 21.98 -14.80 13.91 3 0 1000.00 -999 ? >PRO^C 35 23.79 -8.35 9.56 22.36 -9.96 8.92 23.07 -9.16 9.24 3 0 1000.00 -999 ? >ASP^C 36 26.21 -11.72 6.59 27.11 -9.82 6.83 26.66 -10.77 6.71 2 0 1000.00 -999 ? >GLN^C 37 24.33 -16.07 8.06 24.64 -16.05 10.16 24.49 -16.06 9.11 2 0 1000.00 -999 ? >GLU^C 38 20.50 -15.16 2.26 20.59 -15.23 0.17 20.55 -15.20 1.21 2 0 1000.00 -999 ? >TRP^C 39 18.54 -20.40 8.16 20.21 -17.18 9.65 19.37 -18.79 8.91 3 0 1000.00 -999 ? >GLU^C 40 14.90 -22.25 2.48 14.39 -24.08 1.58 14.65 -23.16 2.03 2 0 1000.00 -999 ? >PHE^C 41 12.33 -17.37 7.56 14.66 -16.05 8.40 13.50 -16.71 7.98 3 0 1000.00 -999 ? >ILE^C 42 9.10 -23.52 6.40 9.46 -24.38 5.50 9.28 -23.95 5.95 3 0 1000.00 -999 ? >GLY^C 43 5.43 -21.95 8.90 5.59 -22.57 8.39 5.51 -22.26 8.65 1 0 1000.00 -999 ? >VAL^C 44 3.96 -25.18 10.24 5.85 -26.30 10.71 4.90 -25.74 10.47 3 0 1000.00 -999 ? >SER^C 45 0.89 -26.24 12.23 -0.92 -25.20 11.03 -0.01 -25.72 11.63 2 0 1000.00 -999 ? >VAL^C 46 1.59 -28.44 15.29 3.81 -28.23 15.30 2.70 -28.33 15.29 3 0 1000.00 -999 ? >PRO^C 47 -0.34 -31.33 17.92 0.07 -29.13 17.98 -0.13 -30.23 17.95 3 0 1000.00 -999 ? >SER^C 48 0.44 -26.89 21.70 -1.56 -25.74 22.44 -0.56 -26.32 22.07 2 0 1000.00 -999 ? >GLU^C 49 0.44 -31.45 23.09 2.26 -32.53 23.27 1.35 -31.99 23.18 2 0 1000.00 -999 ? >VAL^C 50 -2.43 -26.71 26.11 -0.62 -25.50 26.41 -1.52 -26.10 26.26 3 0 1000.00 -999 ? >ALA^C 51 -5.62 -24.58 26.04 -6.20 -23.74 27.17 -5.91 -24.16 26.61 2 0 1000.00 -999 ? >ASP^C 52 -7.76 -22.91 22.02 -7.97 -24.70 20.85 -7.86 -23.81 21.43 2 0 1000.00 -999 ? >GLN^C 53 -7.51 -17.48 25.72 -6.08 -16.27 24.70 -6.79 -16.87 25.21 2 0 1000.00 -999 ? >PRO^C 54 -2.13 -20.38 25.76 -4.01 -19.98 26.92 -3.07 -20.18 26.34 3 0 1000.00 -999 ? >MET?C 55 -4.84 -18.46 30.78 -7.59 -17.03 29.63 -6.22 -17.74 30.21 2 0 1000.00 -999 ? >SER^C 56 -1.52 -18.35 32.65 -0.74 -20.58 33.26 -1.13 -19.47 32.95 2 0 1000.00 -999 ? >ASP^C 57 2.95 -16.57 33.04 4.98 -16.59 32.50 3.97 -16.58 32.77 2 0 1000.00 -999 ? >GLU^C 58 3.17 -23.24 34.00 2.28 -24.30 35.58 2.72 -23.77 34.79 2 0 1000.00 -999 ? >GLU^C 59 -1.66 -23.10 29.35 -3.72 -23.43 29.78 -2.69 -23.26 29.57 2 0 1000.00 -999 ? >THR^C 60 1.67 -19.88 27.55 1.16 -17.79 27.31 1.41 -18.83 27.43 2 0 1000.00 -999 ? >LYS^C 61 5.35 -20.79 27.89 10.95 -20.74 30.78 8.15 -20.76 29.33 2 0 1000.00 -999 ? >GLN^C 62 4.00 -26.84 28.93 6.06 -27.36 29.27 5.03 -27.10 29.10 2 0 1000.00 -999 ? >GLY^C 63 2.42 -24.24 24.76 3.23 -24.03 24.91 2.82 -24.14 24.83 1 0 1000.00 -999 ? >ALA^C 64 5.39 -22.55 23.01 5.98 -21.12 23.36 5.69 -21.83 23.18 2 0 1000.00 -999 ? >LEU^C 65 8.13 -25.55 25.77 9.57 -24.56 27.04 8.85 -25.06 26.41 3 0 1000.00 -999 ? >ASN^C 66 4.11 -28.20 23.70 4.05 -28.78 25.75 4.08 -28.49 24.72 2 0 1000.00 -999 ? >ARG^C 67 2.47 -23.82 18.84 -0.58 -23.67 18.93 0.94 -23.74 18.89 2 0 1000.00 -999 ? >VAL^C 68 8.76 -26.29 19.14 10.39 -24.83 19.64 9.57 -25.56 19.39 3 0 1000.00 -999 ? >ARG^C 69 8.63 -32.39 23.45 5.53 -32.39 23.68 7.08 -32.39 23.56 2 0 1000.00 -999 ? >ASN^C 70 4.92 -30.83 18.24 4.20 -31.79 19.99 4.56 -31.31 19.12 2 0 1000.00 -999 ? >ALA^C 71 7.80 -29.09 15.14 8.05 -27.58 15.15 7.93 -28.34 15.14 2 0 1000.00 -999 ? >LYS^C 72 11.21 -30.76 15.66 15.66 -28.20 19.53 13.44 -29.48 17.59 2 0 1000.00 -999 ? >GLN^C 73 8.32 -36.29 16.60 9.99 -37.64 16.47 9.16 -36.96 16.54 2 0 1000.00 -999 ? >ARG^C 74 4.61 -34.67 13.59 3.39 -36.32 11.31 4.00 -35.50 12.45 2 0 1000.00 -999 ? >HIS^C 75 8.01 -29.96 9.87 5.97 -29.85 9.36 6.99 -29.91 9.61 3 0 1000.00 -999 ? >PRO^C 76 12.81 -34.81 10.64 12.75 -32.65 11.31 12.78 -33.73 10.98 3 0 1000.00 -999 ? >GLY^C 77 16.61 -31.14 10.15 16.19 -30.60 10.50 16.40 -30.87 10.33 1 0 1000.00 -999 ? >ALA^C 78 16.06 -27.37 10.15 14.73 -26.68 10.36 15.39 -27.02 10.26 2 0 1000.00 -999 ? >GLU^C 79 20.67 -23.52 11.81 22.12 -22.40 10.80 21.39 -22.96 11.31 2 0 1000.00 -999 ? >TYR^C 80 17.78 -21.15 14.21 20.39 -20.29 14.62 19.09 -20.72 14.42 3 0 1000.00 -999 ? >TYR^C 81 12.86 -26.25 15.13 13.57 -28.42 13.46 13.22 -27.34 14.30 3 0 1000.00 -999 ? >VAL^C 82 10.63 -20.88 16.72 11.22 -18.82 16.13 10.92 -19.85 16.42 3 0 1000.00 -999 ? >GLY^C 83 7.51 -20.87 18.92 8.06 -20.19 18.90 7.79 -20.53 18.91 1 0 1000.00 -999 ? >LEU^C 84 5.84 -16.74 18.21 5.68 -14.52 18.08 5.76 -15.63 18.14 3 0 1000.00 -999 ? >GLU^C 85 2.58 -20.56 21.51 0.75 -20.78 20.53 1.66 -20.67 21.02 2 0 1000.00 -999 ? >ALA^C 86 0.34 -15.35 23.13 -0.48 -14.35 22.30 -0.07 -14.85 22.71 2 0 1000.00 -999 ? >GLY^C 87 -1.44 -15.83 26.43 -1.26 -15.01 26.33 -1.35 -15.42 26.38 1 0 1000.00 -999 ? >ILE^C 88 -4.69 -13.93 29.10 -5.89 -13.26 28.87 -5.29 -13.60 28.99 3 0 1000.00 -999 ? >GLU^C 89 -1.24 -14.76 34.98 0.66 -15.57 35.49 -0.29 -15.16 35.24 2 0 1000.00 -999 ? >GLU^C 90 -3.42 -11.83 37.36 -2.24 -10.68 38.72 -2.83 -11.26 38.04 2 0 1000.00 -999 ? >ASN^C 91 -6.26 -7.41 33.77 -4.81 -6.20 34.75 -5.54 -6.81 34.26 2 0 1000.00 -999 ? >LYS^C 92 -2.53 -8.80 31.01 0.33 -5.10 32.87 -1.10 -6.95 31.94 2 0 1000.00 -999 ? >THR^C 93 -1.54 -10.26 27.71 -2.30 -10.01 25.68 -1.92 -10.14 26.69 2 0 1000.00 -999 ? >PHE^C 94 2.19 -12.30 28.61 1.02 -14.26 30.23 1.61 -13.28 29.42 3 0 1000.00 -999 ? >ALA^C 95 3.70 -13.62 24.16 3.76 -13.21 22.73 3.73 -13.42 23.44 2 0 1000.00 -999 ? >TRP^C 96 5.39 -17.12 28.13 9.14 -16.69 29.30 7.26 -16.90 28.71 3 0 1000.00 -999 ? >MET?C 97 9.11 -16.51 22.21 7.49 -13.55 21.86 8.30 -15.03 22.04 2 0 1000.00 -999 ? >ILE^C 98 10.47 -21.12 22.59 10.85 -21.43 24.01 10.66 -21.28 23.30 3 0 1000.00 -999 ? >VAL^C 99 13.99 -20.27 19.68 14.81 -18.60 18.43 14.40 -19.44 19.06 3 0 1000.00 -999 ? >GLU^C 100 14.37 -24.68 21.31 13.42 -26.44 22.00 13.90 -25.56 21.65 2 0 1000.00 -999 ? >SER^C 101 18.71 -24.86 17.41 20.72 -24.60 18.69 19.72 -24.73 18.05 2 0 1000.00 -999 ? >ASP^C 102 20.30 -29.44 16.63 20.27 -31.46 17.23 20.28 -30.45 16.93 2 0 1000.00 -999 ? >GLN^C 103 23.79 -28.57 19.32 24.42 -30.31 20.37 24.10 -29.44 19.85 2 0 1000.00 -999 ? >GLN^C 104 22.95 -23.35 22.46 24.12 -21.68 21.68 23.54 -22.52 22.07 2 0 1000.00 -999 ? >ARG^C 105 14.13 -23.54 25.78 14.02 -26.60 26.30 14.07 -25.07 26.04 2 0 1000.00 -999 ? >GLY^C 106 16.81 -18.93 23.83 16.12 -19.48 23.71 16.47 -19.21 23.77 1 0 1000.00 -999 ? >GLU^C 107 13.76 -18.69 27.51 13.19 -20.43 28.61 13.48 -19.56 28.06 2 0 1000.00 -999 ? >SER^C 108 11.92 -14.18 26.17 12.25 -11.72 25.90 12.09 -12.95 26.04 2 0 1000.00 -999 ? >ARG^C 109 5.70 -13.45 29.79 4.59 -11.84 32.15 5.14 -12.64 30.97 2 0 1000.00 -999 ? >SER^C 110 7.26 -9.84 25.40 5.02 -10.19 24.45 6.14 -10.02 24.93 2 0 1000.00 -999 ? >ALA^C 111 6.39 -6.73 27.40 6.78 -5.32 26.94 6.58 -6.03 27.17 2 0 1000.00 -999 ? >CYH^C 112 2.87 -7.15 28.80 2.81 -7.10 31.55 2.84 -7.13 30.17 2 0 1000.00 -999 ? >LEU^C 113 -0.66 -5.39 26.40 -2.05 -4.49 24.92 -1.36 -4.94 25.66 3 0 1000.00 -999 ? >MET?C 114 -3.14 -4.36 30.29 -3.33 -1.87 33.74 -3.24 -3.11 32.01 2 0 1000.00 -999 ? >LEU^C 115 -6.91 -6.78 28.49 -6.09 -8.36 27.19 -6.50 -7.57 27.84 3 0 1000.00 -999 ? >PRO^C 116 -9.05 -2.62 26.22 -8.94 -3.46 28.34 -8.99 -3.04 27.28 3 0 1000.00 -999 ? >PRO^C 117 -12.28 -2.13 31.87 -11.74 -3.97 30.65 -12.01 -3.05 31.26 3 0 1000.00 -999 ? >LEU^C 118 -15.05 -3.54 27.02 -16.76 -3.10 25.81 -15.91 -3.32 26.41 3 0 1000.00 -999 ? >VAL^C 119 -12.37 -7.17 26.44 -10.64 -7.02 25.10 -11.51 -7.09 25.77 3 0 1000.00 -999 ? >LEU^C 120 -10.94 -8.48 30.86 -8.84 -8.59 31.45 -9.89 -8.54 31.16 3 0 1000.00 -999 ? >GLU^C 121 -16.10 -7.37 31.61 -17.24 -5.57 31.48 -16.67 -6.47 31.55 2 0 1000.00 -999 ? >ARG^C 122 -17.20 -8.49 24.21 -18.12 -6.02 22.61 -17.66 -7.26 23.41 2 0 1000.00 -999 ? >LEU^C 123 -11.86 -13.43 28.01 -10.84 -13.17 26.08 -11.35 -13.30 27.04 3 0 1000.00 -999 ? >ARG^C 124 -17.68 -13.65 32.82 -20.16 -15.31 33.66 -18.92 -14.48 33.24 2 0 1000.00 -999 ? >GLU^C 128 -10.69 -18.51 20.55 -8.86 -19.51 20.12 -9.77 -19.01 20.33 2 0 1000.00 -999 ? >LEU^C 129 -7.13 -12.84 23.26 -6.57 -10.97 24.27 -6.85 -11.91 23.77 3 0 1000.00 -999 ? >GLY^C 130 -8.08 -12.39 18.88 -8.74 -12.54 19.31 -8.41 -12.47 19.10 1 0 1000.00 -999 ? >ASP^C 131 -12.55 -14.24 18.62 -11.88 -15.96 17.51 -12.21 -15.10 18.07 2 0 1000.00 -999 ? >VAL^C 132 -12.70 -10.45 21.02 -12.98 -10.71 23.20 -12.84 -10.58 22.11 3 0 1000.00 -999 ? >MET?C 133 -10.16 -7.83 19.80 -7.97 -6.73 22.15 -9.07 -7.28 20.97 2 0 1000.00 -999 ? >ASP^C 134 -11.80 -9.34 15.44 -9.94 -10.04 14.71 -10.87 -9.69 15.07 2 0 1000.00 -999 ? >GLU^C 135 -17.14 -8.80 19.33 -17.62 -9.98 21.08 -17.38 -9.39 20.21 2 0 1000.00 -999 ? >VAL^C 136 -14.20 -4.86 20.02 -13.86 -4.80 22.22 -14.03 -4.83 21.12 3 0 1000.00 -999 ? >PHE^C 137 -9.84 -2.66 19.45 -9.04 -2.09 22.08 -9.44 -2.37 20.76 3 0 1000.00 -999 ? >GLY^C 138 -12.89 -4.18 14.33 -12.20 -4.49 14.72 -12.54 -4.34 14.53 1 0 1000.00 -999 ? >THR^C 139 -11.15 -6.87 12.25 -11.79 -8.82 11.48 -11.47 -7.84 11.86 2 0 1000.00 -999 ? >GLU^C 140 -9.76 -3.72 7.23 -9.16 -5.67 6.62 -9.46 -4.69 6.93 2 0 1000.00 -999 ? >ASN^C 141 -9.33 -1.18 13.31 -10.86 0.03 12.49 -10.09 -0.58 12.90 2 0 1000.00 -999 ? >ILE^C 142 -7.07 -5.93 14.76 -6.61 -6.02 16.21 -6.84 -5.97 15.48 3 0 1000.00 -999 ? >LYS^C 143 -4.99 -5.81 10.81 -5.12 -9.41 6.04 -5.05 -7.61 8.42 2 0 1000.00 -999 ? >GLN^C 144 -5.37 -2.62 7.20 -5.10 -1.74 5.29 -5.24 -2.18 6.24 2 0 1000.00 -999 ? >LYS^C 145 -3.11 -0.37 12.34 -8.01 3.02 13.80 -5.56 1.32 13.07 2 0 1000.00 -999 ? >GLY^C 146 -0.48 -2.49 14.11 -1.25 -2.66 14.25 -0.87 -2.57 14.18 1 0 1000.00 -999 ? >GLY^C 147 -2.77 -4.72 16.22 -2.75 -3.92 16.26 -2.76 -4.32 16.24 1 0 1000.00 -999 ? >ALA^C 148 -4.26 -3.94 19.65 -4.68 -4.93 20.72 -4.47 -4.44 20.18 2 0 1000.00 -999 ? >ILE^C 149 0.54 -3.36 20.57 1.79 -3.85 21.14 1.16 -3.61 20.85 3 0 1000.00 -999 ? >GLY^C 150 -0.92 -0.25 17.69 -1.47 -0.38 18.28 -1.20 -0.32 17.98 1 0 1000.00 -999 ? >LEU^C 151 -5.72 0.01 18.36 -6.63 -0.29 16.36 -6.18 -0.14 17.36 3 0 1000.00 -999 ? >LEU^C 152 -4.03 0.15 23.22 -5.79 -1.04 23.86 -4.91 -0.44 23.54 3 0 1000.00 -999 ? >THR^C 153 -0.64 3.17 22.07 0.88 1.64 21.86 0.12 2.40 21.96 2 0 1000.00 -999 ? >ARG^C 154 -4.15 7.96 20.92 -6.40 8.80 22.85 -5.28 8.38 21.88 2 0 1000.00 -999 ? >HIS^C 155 -1.13 3.68 15.02 -3.12 3.28 15.56 -2.12 3.48 15.29 3 0 1000.00 -999 ? >HIS^C 156 3.29 6.92 20.68 2.81 8.95 20.47 3.05 7.94 20.57 3 0 1000.00 -999 ? >LEU^C 157 4.30 0.28 20.76 5.80 0.52 22.31 5.05 0.40 21.54 3 0 1000.00 -999 ? >THR^C 158 2.98 -1.83 17.22 3.76 -1.32 15.26 3.37 -1.58 16.24 2 0 1000.00 -999 ? >ARG^C 159 0.89 -8.74 16.53 -1.07 -9.58 18.76 -0.09 -9.16 17.65 2 0 1000.00 -999 ? >SER^C 160 5.55 -5.93 15.20 4.78 -6.02 12.90 5.17 -5.98 14.05 2 0 1000.00 -999 ? >THR^C 161 7.85 -3.55 17.12 7.32 -1.42 16.85 7.59 -2.49 16.99 2 0 1000.00 -999 ? >VAL^C 162 7.05 -5.23 20.49 5.56 -4.85 22.09 6.30 -5.04 21.29 3 0 1000.00 -999 ? >TYR^C 163 5.34 -9.96 18.57 2.96 -10.99 19.57 4.15 -10.48 19.07 3 0 1000.00 -999 ? >HIS^C 164 12.25 -6.38 15.86 13.93 -6.39 14.58 13.09 -6.39 15.22 3 0 1000.00 -999 ? >GLN^C 165 12.11 -4.43 21.35 12.42 -2.89 22.80 12.26 -3.66 22.07 2 0 1000.00 -999 ? >ALA^C 166 11.40 -10.26 22.51 9.98 -10.71 22.88 10.69 -10.49 22.70 2 0 1000.00 -999 ? >LEU^C 167 12.04 -12.09 18.00 10.53 -13.33 17.14 11.29 -12.71 17.57 3 0 1000.00 -999 ? >ILE^C 168 16.27 -8.91 19.41 16.87 -7.75 18.78 16.57 -8.33 19.10 3 0 1000.00 -999 ? >LEU^C 169 15.29 -10.66 24.43 15.44 -8.71 25.50 15.37 -9.69 24.97 3 0 1000.00 -999 ? >ALA^C 170 15.38 -14.78 22.54 14.03 -15.31 21.95 14.70 -15.05 22.25 2 0 1000.00 -999 ? >LEU^C 171 18.36 -14.18 18.75 17.43 -14.82 16.88 17.90 -14.50 17.81 3 0 1000.00 -999 ? >ILE^C 172 20.60 -13.30 24.10 20.77 -12.27 25.12 20.68 -12.78 24.61 3 0 1000.00 -999 ? >PRO^C 173 20.31 -18.00 24.49 21.88 -16.93 23.27 21.10 -17.47 23.88 3 0 1000.00 -999 ? >PHE^C 174 20.80 -19.12 19.12 18.80 -20.80 20.18 19.80 -19.96 19.65 3 0 1000.00 -999 ? >ILE^C 175 23.96 -13.16 19.85 23.48 -11.80 19.56 23.72 -12.48 19.71 3 0 1000.00 -999 ? >ASN^C 176 26.39 -14.51 23.80 25.90 -12.55 23.18 26.15 -13.53 23.49 2 0 1000.00 -999 ? >PRO^C 177 28.81 -18.63 20.48 27.60 -18.40 22.37 28.21 -18.52 21.43 3 0 1000.00 -999 ? >GLU^C 178 32.00 -16.92 23.40 30.65 -15.27 23.16 31.32 -16.10 23.28 2 0 1000.00 -999 ? >HIS^C 179 29.10 -14.94 27.84 30.72 -13.63 27.90 29.91 -14.28 27.87 3 0 1000.00 -999 ? >TYR^C 180 23.72 -17.80 26.81 22.76 -15.46 27.99 23.24 -16.63 27.40 3 0 1000.00 -999 ? >PRO^C 181 27.59 -23.02 28.90 26.75 -22.54 26.85 27.17 -22.78 27.87 3 0 1000.00 -999 ? >SER^C 182 24.60 -25.91 25.42 25.84 -26.85 23.62 25.22 -26.38 24.52 2 0 1000.00 -999 ? >ALA^C 183 25.90 -28.26 28.20 26.21 -29.60 27.57 26.06 -28.93 27.88 2 0 1000.00 -999 ? >MET?D 10 3.24 22.76 33.79 7.53 23.16 34.03 5.38 22.96 33.91 2 0 1000.00 -999 ? >ARG^D 11 0.79 18.57 31.92 -2.12 17.74 31.44 -0.66 18.16 31.68 2 0 1000.00 -999 ? >LYS^D 12 4.12 17.47 37.71 3.53 22.28 40.21 3.82 19.88 38.96 2 0 1000.00 -999 ? >ILE^D 13 5.91 13.30 36.12 5.82 12.60 34.92 5.86 12.95 35.52 3 0 1000.00 -999 ? >ILE^D 14 6.24 12.31 41.91 7.14 12.83 43.00 6.69 12.57 42.46 3 0 1000.00 -999 ? >ILE^D 15 10.48 9.59 38.56 10.52 9.92 37.75 10.50 9.75 38.15 3 0 1000.00 -999 ? >ALA^D 16 9.98 7.20 42.63 8.87 6.20 43.17 9.43 6.70 42.90 2 0 1000.00 -999 ? >SER^D 17 13.71 7.06 41.92 15.43 5.82 40.76 14.57 6.44 41.34 2 0 1000.00 -999 ? >GLN^D 18 16.05 11.15 43.62 16.72 12.21 45.32 16.39 11.68 44.47 2 0 1000.00 -999 ? >ASN^D 19 18.36 5.75 39.30 19.74 4.91 37.93 19.05 5.33 38.61 2 0 1000.00 -999 ? >PRO^D 20 21.37 10.00 37.36 19.40 8.99 36.95 20.38 9.50 37.16 3 0 1000.00 -999 ? >ALA^D 21 18.69 6.44 33.87 19.48 5.10 33.75 19.09 5.77 33.81 2 0 1000.00 -999 ? >LYS^D 22 15.30 5.76 35.37 14.90 1.35 39.91 15.10 3.55 37.64 2 0 1000.00 -999 ? >VAL^D 23 14.27 9.44 35.47 14.35 11.01 37.03 14.31 10.23 36.25 3 0 1000.00 -999 ? >ASN^D 24 16.91 9.74 31.41 18.01 11.54 31.69 17.46 10.64 31.55 2 0 1000.00 -999 ? >ALA^D 25 13.48 6.83 30.74 13.51 5.41 31.39 13.50 6.12 31.06 2 0 1000.00 -999 ? >VAL^D 26 10.36 8.52 32.13 9.43 8.47 34.15 9.90 8.49 33.14 3 0 1000.00 -999 ? >ARG^D 27 14.36 14.20 31.81 15.84 14.06 34.59 15.10 14.13 33.20 2 0 1000.00 -999 ? >SER^D 28 11.65 10.14 27.16 12.57 8.86 25.37 12.11 9.50 26.26 2 0 1000.00 -999 ? >ALA^D 29 8.39 8.13 27.48 8.08 7.04 28.57 8.23 7.59 28.03 2 0 1000.00 -999 ? >PHE^D 30 5.28 11.15 30.85 3.69 9.82 32.73 4.49 10.49 31.79 3 0 1000.00 -999 ? >SER^D 31 7.95 13.53 26.01 9.78 14.55 27.35 8.86 14.04 26.68 2 0 1000.00 -999 ? >THR^D 32 7.22 10.93 23.28 8.50 9.33 22.51 7.86 10.13 22.90 2 0 1000.00 -999 ? >VAL^D 33 3.62 9.97 24.10 2.86 8.14 25.18 3.24 9.06 24.64 3 0 1000.00 -999 ? >PHE^D 34 1.16 12.36 27.18 -0.39 10.23 28.20 0.39 11.30 27.69 3 0 1000.00 -999 ? >PRO^D 35 3.39 14.72 21.04 3.93 15.27 23.17 3.66 14.99 22.11 3 0 1000.00 -999 ? >ASP^D 36 0.71 18.81 22.38 0.96 18.53 20.29 0.83 18.67 21.34 2 0 1000.00 -999 ? >GLN^D 37 0.29 17.12 27.19 -1.29 18.50 26.87 -0.50 17.81 27.03 2 0 1000.00 -999 ? >GLU^D 38 4.34 23.26 28.49 3.95 25.32 28.88 4.14 24.29 28.69 2 0 1000.00 -999 ? >TRP^D 39 5.40 16.33 29.07 2.17 15.07 30.97 3.78 15.70 30.02 3 0 1000.00 -999 ? >GLU^D 40 8.60 19.96 37.42 8.18 21.47 38.89 8.39 20.71 38.16 2 0 1000.00 -999 ? >PHE^D 41 10.13 14.83 33.86 8.81 14.48 31.39 9.47 14.66 32.63 3 0 1000.00 -999 ? >ILE^D 42 9.78 16.04 40.77 9.23 17.10 41.52 9.51 16.57 41.14 3 0 1000.00 -999 ? >GLY^D 43 12.83 12.32 40.99 12.65 13.01 41.50 12.74 12.67 41.24 1 0 1000.00 -999 ? >VAL^D 44 12.50 11.31 44.64 10.35 11.82 44.97 11.43 11.56 44.80 3 0 1000.00 -999 ? >SER^D 45 13.99 8.52 46.84 16.33 8.81 46.32 15.16 8.67 46.58 2 0 1000.00 -999 ? >VAL^D 46 11.40 6.42 48.72 9.57 7.03 47.62 10.48 6.72 48.17 3 0 1000.00 -999 ? >PRO^D 47 10.53 3.78 52.22 11.50 3.66 50.18 11.01 3.72 51.20 3 0 1000.00 -999 ? >SER^D 48 10.28 -0.09 48.44 12.02 -1.71 48.16 11.15 -0.90 48.30 2 0 1000.00 -999 ? >GLU^D 49 7.60 -0.63 51.96 8.40 0.60 53.42 8.00 -0.01 52.69 2 0 1000.00 -999 ? >VAL^D 50 10.99 -5.26 49.65 9.83 -5.22 47.73 10.41 -5.24 48.69 3 0 1000.00 -999 ? >ALA^D 51 14.50 -6.72 49.11 14.85 -8.14 48.66 14.67 -7.43 48.88 2 0 1000.00 -999 ? >ASP^D 52 18.49 -4.15 48.06 18.46 -2.89 49.79 18.48 -3.52 48.93 2 0 1000.00 -999 ? >GLN^D 53 18.59 -8.96 43.44 20.50 -9.79 43.21 19.55 -9.38 43.33 2 0 1000.00 -999 ? >PRO^D 54 13.05 -6.38 43.89 14.30 -8.20 44.35 13.67 -7.29 44.12 3 0 1000.00 -999 ? >MET?D 55 13.86 -12.39 43.44 17.20 -12.83 43.27 15.53 -12.61 43.35 2 0 1000.00 -999 ? >SER^D 56 10.38 -13.04 42.08 8.84 -12.80 43.96 9.61 -12.92 43.02 2 0 1000.00 -999 ? >ASP^D 57 7.10 -12.15 38.68 5.59 -10.93 37.88 6.35 -11.54 38.28 2 0 1000.00 -999 ? >GLU^D 58 4.19 -11.22 44.61 3.30 -12.72 45.81 3.74 -11.97 45.21 2 0 1000.00 -999 ? >GLU^D 59 10.16 -8.93 46.43 11.83 -9.85 47.40 11.00 -9.39 46.92 2 0 1000.00 -999 ? >THR^D 60 9.49 -6.89 41.97 10.79 -7.34 40.25 10.14 -7.12 41.11 2 0 1000.00 -999 ? >LYS^D 61 6.00 -5.59 41.13 0.12 -6.28 38.80 3.06 -5.94 39.96 2 0 1000.00 -999 ? >GLN^D 62 4.57 -5.64 47.23 2.49 -5.18 46.97 3.53 -5.41 47.10 2 0 1000.00 -999 ? >GLY^D 63 8.39 -3.03 45.24 7.71 -2.91 44.70 8.05 -2.97 44.97 1 0 1000.00 -999 ? >ALA^D 64 7.31 -0.74 42.39 7.24 -1.11 40.89 7.27 -0.92 41.64 2 0 1000.00 -999 ? >LEU^D 65 2.71 -1.51 44.04 1.33 -2.48 42.62 2.02 -1.99 43.33 3 0 1000.00 -999 ? >ASN^D 66 5.96 -0.50 48.11 5.02 -2.30 48.78 5.49 -1.40 48.44 2 0 1000.00 -999 ? >ARG^D 67 11.13 2.59 44.83 13.67 1.18 45.91 12.40 1.89 45.37 2 0 1000.00 -999 ? >VAL^D 68 4.59 4.73 44.07 3.57 4.56 42.13 4.08 4.65 43.10 3 0 1000.00 -999 ? >ARG^D 69 0.35 2.27 49.58 2.52 0.08 49.75 1.43 1.18 49.67 2 0 1000.00 -999 ? >ASN^D 70 6.42 5.19 49.68 6.11 3.57 51.02 6.27 4.38 50.35 2 0 1000.00 -999 ? >ALA^D 71 5.86 8.74 46.83 6.32 8.55 45.32 6.09 8.65 46.08 2 0 1000.00 -999 ? >LYS^D 72 2.14 9.68 46.78 -2.40 7.18 43.13 -0.13 8.43 44.96 2 0 1000.00 -999 ? >GLN^D 73 2.44 9.06 53.01 0.72 10.02 53.85 1.58 9.54 53.43 2 0 1000.00 -999 ? >ARG^D 74 9.13 12.11 50.86 11.22 9.97 51.00 10.17 11.04 50.93 2 0 1000.00 -999 ? >HIS^D 75 6.97 14.48 47.59 8.86 14.63 48.49 7.91 14.55 48.04 3 0 1000.00 -999 ? >PRO^D 76 0.44 15.31 49.46 1.34 14.45 47.57 0.89 14.88 48.51 3 0 1000.00 -999 ? >GLY^D 77 -0.70 16.66 44.43 -0.22 16.10 44.17 -0.46 16.38 44.30 1 0 1000.00 -999 ? >ALA^D 78 1.33 15.61 41.34 2.61 14.77 41.32 1.97 15.19 41.33 2 0 1000.00 -999 ? >GLU^D 79 -1.57 14.63 35.91 -2.06 15.78 34.22 -1.81 15.21 35.07 2 0 1000.00 -999 ? >TYR^D 80 0.94 11.14 35.29 -1.02 11.32 33.31 -0.04 11.23 34.30 3 0 1000.00 -999 ? >TYR^D 81 2.54 9.77 42.09 1.75 12.07 43.50 2.14 10.92 42.79 3 0 1000.00 -999 ? >VAL^D 82 5.96 6.53 38.24 6.37 6.87 36.09 6.16 6.70 37.17 3 0 1000.00 -999 ? >GLY^D 83 7.64 3.41 39.69 7.51 3.47 38.84 7.57 3.44 39.27 1 0 1000.00 -999 ? >LEU^D 84 10.94 2.24 36.72 12.20 1.63 35.08 11.57 1.93 35.90 3 0 1000.00 -999 ? >GLU^D 85 11.67 -2.87 41.91 12.81 -1.56 43.18 12.24 -2.22 42.55 2 0 1000.00 -999 ? >ALA^D 86 14.12 -4.24 38.21 15.55 -4.00 37.70 14.83 -4.12 37.96 2 0 1000.00 -999 ? >GLY^D 87 13.69 -7.81 39.42 14.04 -7.83 38.66 13.87 -7.82 39.04 1 0 1000.00 -999 ? >ILE^D 88 16.16 -11.81 39.47 17.56 -12.04 39.56 16.86 -11.92 39.52 3 0 1000.00 -999 ? >GLU^D 89 10.78 -15.83 39.28 8.66 -15.93 39.37 9.72 -15.88 39.32 2 0 1000.00 -999 ? >GLU^D 90 12.83 -19.57 38.66 11.24 -20.72 37.78 12.03 -20.14 38.22 2 0 1000.00 -999 ? >ASN^D 91 17.50 -18.45 34.22 16.11 -19.19 32.82 16.81 -18.82 33.52 2 0 1000.00 -999 ? >LYS^D 92 15.22 -14.13 33.92 13.53 -17.99 31.28 14.38 -16.06 32.60 2 0 1000.00 -999 ? >THR^D 93 15.45 -10.43 34.64 17.10 -9.03 34.67 16.27 -9.73 34.66 2 0 1000.00 -999 ? >PHE^D 94 11.27 -9.32 34.92 10.82 -10.74 37.29 11.04 -10.03 36.11 3 0 1000.00 -999 ? >ALA^D 95 11.41 -4.55 35.29 12.20 -3.25 34.93 11.80 -3.90 35.11 2 0 1000.00 -999 ? >TRP^D 96 7.12 -6.62 37.85 3.65 -6.54 36.00 5.39 -6.58 36.92 3 0 1000.00 -999 ? >MET?D 97 6.69 -0.14 35.32 9.26 -1.07 33.39 7.98 -0.60 34.35 2 0 1000.00 -999 ? >ILE^D 98 3.70 1.14 38.90 2.66 0.13 39.02 3.18 0.63 38.96 3 0 1000.00 -999 ? >VAL^D 99 2.17 4.73 36.43 2.60 5.81 34.52 2.39 5.27 35.47 3 0 1000.00 -999 ? >GLU^D 100 -0.55 4.32 40.45 -0.60 3.78 42.50 -0.57 4.05 41.47 2 0 1000.00 -999 ? >SER^D 101 -2.72 9.22 38.34 -4.83 8.68 37.38 -3.78 8.95 37.86 2 0 1000.00 -999 ? >ASP^D 102 -5.72 11.49 41.53 -7.17 12.07 40.04 -6.45 11.78 40.78 2 0 1000.00 -999 ? >GLN^D 103 -9.22 9.94 39.00 -10.70 10.05 40.51 -9.96 9.99 39.76 2 0 1000.00 -999 ? >GLN^D 104 -6.12 4.38 35.15 -7.50 2.78 35.46 -6.81 3.58 35.30 2 0 1000.00 -999 ? >ARG^D 105 -1.58 0.04 39.74 -2.72 0.03 42.63 -2.15 0.03 41.18 2 0 1000.00 -999 ? >GLY^D 106 -1.29 1.58 34.31 -0.88 1.58 35.11 -1.09 1.58 34.71 1 0 1000.00 -999 ? >GLU^D 107 -0.24 -1.99 36.44 -0.69 -3.55 37.78 -0.47 -2.77 37.11 2 0 1000.00 -999 ? >SER^D 108 3.66 -3.14 32.25 4.58 -3.21 29.94 4.12 -3.18 31.10 2 0 1000.00 -999 ? >ARG^D 109 7.46 -9.00 34.49 7.85 -11.93 33.64 7.65 -10.46 34.07 2 0 1000.00 -999 ? >SER^D 110 9.38 -5.22 30.37 11.45 -5.14 31.63 10.42 -5.18 31.00 2 0 1000.00 -999 ? >ALA^D 111 10.50 -7.96 28.01 10.92 -7.75 26.58 10.71 -7.86 27.30 2 0 1000.00 -999 ? >CYH^D 112 12.65 -10.45 29.98 11.36 -12.96 30.02 12.01 -11.70 30.00 2 0 1000.00 -999 ? >LEU^D 113 17.37 -10.28 29.86 19.51 -10.43 29.45 18.44 -10.36 29.66 3 0 1000.00 -999 ? >MET?D 114 17.53 -14.90 29.99 17.27 -18.87 28.38 17.40 -16.89 29.18 2 0 1000.00 -999 ? >LEU^D 115 20.52 -14.72 33.76 20.14 -12.73 34.66 20.33 -13.73 34.21 3 0 1000.00 -999 ? >PRO^D 116 24.85 -15.09 31.28 23.24 -16.63 31.61 24.04 -15.86 31.44 3 0 1000.00 -999 ? >PRO^D 117 23.83 -21.53 31.69 23.95 -19.84 33.15 23.89 -20.69 32.42 3 0 1000.00 -999 ? >LEU^D 118 28.45 -18.41 34.72 30.39 -18.27 35.83 29.42 -18.34 35.28 3 0 1000.00 -999 ? >VAL^D 119 25.17 -15.73 36.42 24.50 -13.84 35.47 24.84 -14.78 35.95 3 0 1000.00 -999 ? >LEU^D 120 21.53 -18.87 37.29 19.54 -19.44 38.00 20.53 -19.15 37.64 3 0 1000.00 -999 ? >GLU^D 121 27.34 -21.25 40.16 28.91 -22.17 39.08 28.13 -21.71 39.62 2 0 1000.00 -999 ? >ARG^D 122 29.60 -16.42 41.22 31.30 -15.15 43.50 30.45 -15.79 42.36 2 0 1000.00 -999 ? >LEU^D 123 21.75 -15.29 41.36 21.29 -13.47 40.21 21.52 -14.38 40.78 3 0 1000.00 -999 ? >ARG^D 124 21.59 -21.65 41.95 20.49 -23.19 39.56 21.04 -22.42 40.75 2 0 1000.00 -999 ? >GLN^D 125 27.40 -18.99 44.99 29.40 -18.93 44.32 28.40 -18.96 44.66 2 0 1000.00 -999 ? >ALA^D 126 23.68 -14.52 47.36 23.68 -14.61 48.92 23.68 -14.57 48.14 2 0 1000.00 -999 ? >LYS^D 127 25.67 -12.23 45.05 30.03 -13.50 47.72 27.85 -12.86 46.38 2 0 1000.00 -999 ? >GLU^D 128 23.78 -6.47 43.85 24.24 -5.44 42.04 24.01 -5.96 42.94 2 0 1000.00 -999 ? >LEU^D 129 21.92 -8.78 39.43 21.17 -9.44 37.46 21.55 -9.11 38.44 3 0 1000.00 -999 ? >GLY^D 130 25.33 -5.98 38.80 25.61 -6.65 39.26 25.47 -6.31 39.03 1 0 1000.00 -999 ? >ASP^D 131 28.66 -7.72 41.90 28.77 -6.01 43.16 28.71 -6.86 42.53 2 0 1000.00 -999 ? >VAL^D 132 27.82 -10.78 38.92 26.66 -12.53 39.57 27.24 -11.66 39.24 3 0 1000.00 -999 ? >MET?D 133 27.36 -9.17 35.46 24.45 -10.09 34.00 25.91 -9.63 34.73 2 0 1000.00 -999 ? >ASP^D 134 31.12 -6.41 36.85 30.21 -4.54 36.48 30.67 -5.47 36.67 2 0 1000.00 -999 ? >GLU^D 135 32.14 -11.15 39.40 31.26 -12.42 40.91 31.70 -11.78 40.15 2 0 1000.00 -999 ? >VAL^D 136 30.88 -12.72 33.99 29.20 -14.13 33.98 30.04 -13.43 33.99 3 0 1000.00 -999 ? >PHE^D 137 28.73 -10.26 30.50 26.65 -12.11 30.18 27.69 -11.18 30.34 3 0 1000.00 -999 ? >GLY^D 138 33.74 -7.67 32.55 32.93 -7.47 32.52 33.33 -7.57 32.54 1 0 1000.00 -999 ? >THR^D 139 33.27 -4.19 33.95 33.85 -3.52 35.87 33.56 -3.85 34.91 2 0 1000.00 -999 ? >GLU^D 140 37.09 -1.69 31.77 36.31 0.19 32.42 36.70 -0.75 32.09 2 0 1000.00 -999 ? >ASN^D 141 33.19 -5.96 28.30 34.76 -6.27 26.92 33.97 -6.12 27.61 2 0 1000.00 -999 ? >ILE^D 142 29.19 -4.19 31.63 27.86 -4.90 31.59 28.52 -4.54 31.61 3 0 1000.00 -999 ? >LYS^D 143 30.45 -0.07 30.35 34.29 0.89 35.01 32.37 0.41 32.68 2 0 1000.00 -999 ? >GLN^D 144 32.90 -1.30 25.28 34.13 -1.18 23.54 33.51 -1.24 24.41 2 0 1000.00 -999 ? >LYS^D 145 28.76 -1.59 25.23 31.93 -3.94 21.93 30.35 -2.76 23.58 2 0 1000.00 -999 ? >GLY^D 146 26.26 0.44 27.28 26.41 -0.34 27.42 26.34 0.05 27.35 1 0 1000.00 -999 ? >GLY^D 147 25.17 -2.43 29.48 25.49 -2.67 28.79 25.33 -2.55 29.13 1 0 1000.00 -999 ? >ALA^D 148 24.51 -6.17 29.42 24.00 -6.96 30.59 24.26 -6.56 30.01 2 0 1000.00 -999 ? >ILE^D 149 20.17 -5.35 27.18 18.77 -5.40 27.26 19.47 -5.37 27.22 3 0 1000.00 -999 ? >GLY^D 150 23.63 -3.76 24.62 23.79 -4.49 24.96 23.71 -4.12 24.79 1 0 1000.00 -999 ? >LEU^D 151 27.24 -6.53 26.22 28.65 -8.05 26.83 27.94 -7.29 26.53 3 0 1000.00 -999 ? >LEU^D 152 23.59 -10.00 25.50 24.27 -11.20 27.22 23.93 -10.60 26.36 3 0 1000.00 -999 ? >THR^D 153 22.36 -8.17 21.49 20.69 -7.12 22.45 21.52 -7.64 21.97 2 0 1000.00 -999 ? >ARG^D 154 26.33 -9.15 17.10 26.67 -11.85 15.72 26.50 -10.50 16.41 2 0 1000.00 -999 ? >HIS^D 155 25.85 -2.05 20.11 27.75 -1.99 21.00 26.80 -2.02 20.55 3 0 1000.00 -999 ? >HIS^D 156 20.67 -5.72 16.79 21.75 -5.97 15.01 21.21 -5.85 15.90 3 0 1000.00 -999 ? >LEU^D 157 17.76 -4.48 22.67 15.94 -5.32 21.89 16.85 -4.90 22.28 3 0 1000.00 -999 ? >THR^D 158 19.63 -1.52 25.09 20.43 0.46 25.04 20.03 -0.53 25.07 2 0 1000.00 -999 ? >ARG^D 159 18.61 -1.07 32.47 20.55 -2.16 34.61 19.58 -1.62 33.54 2 0 1000.00 -999 ? >SER^D 160 16.78 1.89 27.82 18.27 2.99 26.26 17.53 2.44 27.04 2 0 1000.00 -999 ? >THR^D 161 15.02 0.92 24.56 16.36 0.72 22.94 15.69 0.82 23.75 2 0 1000.00 -999 ? >VAL^D 162 13.52 -2.12 26.30 14.20 -4.20 26.70 13.86 -3.16 26.50 3 0 1000.00 -999 ? >TYR^D 163 13.86 0.00 31.39 15.06 -1.53 33.45 14.46 -0.77 32.42 3 0 1000.00 -999 ? >HIS^D 164 10.97 4.30 24.76 10.12 5.97 23.81 10.55 5.14 24.29 3 0 1000.00 -999 ? >GLN^D 165 9.51 -0.89 23.24 9.18 -2.44 21.80 9.35 -1.67 22.52 2 0 1000.00 -999 ? >ALA^D 166 7.26 -0.98 28.82 8.12 -1.73 29.87 7.69 -1.36 29.35 2 0 1000.00 -999 ? >LEU^D 167 7.81 3.74 30.00 8.98 4.26 31.80 8.39 4.00 30.90 3 0 1000.00 -999 ? >ILE^D 168 5.07 3.22 25.27 5.29 3.75 23.91 5.18 3.49 24.59 3 0 1000.00 -999 ? >LEU^D 169 3.00 -1.27 27.45 3.22 -2.45 25.61 3.11 -1.86 26.53 3 0 1000.00 -999 ? >ALA^D 170 2.06 1.33 31.12 3.20 1.54 32.13 2.63 1.44 31.63 2 0 1000.00 -999 ? >LEU^D 171 1.53 5.63 29.01 2.76 7.23 29.86 2.14 6.43 29.43 3 0 1000.00 -999 ? >ILE^D 172 -2.18 1.42 27.41 -2.37 0.38 26.43 -2.27 0.90 26.92 3 0 1000.00 -999 ? >PRO^D 173 -3.89 2.24 31.89 -4.32 3.40 30.01 -4.11 2.82 30.95 3 0 1000.00 -999 ? >PHE^D 174 -2.60 7.33 32.21 -2.35 6.19 34.77 -2.48 6.76 33.49 3 0 1000.00 -999 ? >ILE^D 175 -2.61 6.44 25.49 -1.42 6.18 24.69 -2.02 6.31 25.09 3 0 1000.00 -999 ? >ASN^D 176 -7.19 4.24 25.60 -5.75 3.86 24.13 -6.47 4.05 24.86 2 0 1000.00 -999 ? >PRO^D 177 -8.61 9.04 28.45 -8.89 6.81 28.37 -8.75 7.92 28.41 3 0 1000.00 -999 ? >GLU^D 178 -12.27 6.92 24.97 -10.37 6.38 24.23 -11.32 6.65 24.60 2 0 1000.00 -999 ? >HIS^D 179 -10.62 1.61 24.83 -11.25 1.82 22.84 -10.93 1.71 23.83 3 0 1000.00 -999 ? >TYR^D 180 -7.79 1.18 29.94 -6.48 -0.62 28.21 -7.13 0.28 29.07 3 0 1000.00 -999 ? >PRO^D 181 -14.11 1.85 32.69 -12.33 3.24 32.64 -13.22 2.54 32.66 3 0 1000.00 -999 ?