REMARK SOURCE hebe.pdb HEADER UNKNOWN FUNCTION 14-DEC-07 3BNV COMPND CJ0977; COMPND 3 CHAIN: A, B, C, D, E, F, G, H; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: CAMPYLOBACTER JEJUNI; SOURCE 3 ORGANISM_TAXID: 197; SOURCE 4 STRAIN: 81-176; SOURCE 5 GENE: CJ0977; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 7 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 8 EXPRESSION_SYSTEM_STRAIN: DL41; SOURCE 9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 10 EXPRESSION_SYSTEM_PLASMID: PGEX-6P1 AUTHOR T.YOKOYAMA,H.J.YEO HET MSE A 61 8 HET MSE A 138 8 HET MSE B 61 8 HET MSE B 138 8 HET MSE C 61 8 HET MSE C 138 8 HET MSE D 61 8 HET MSE D 138 8 HET MSE E 61 8 HET MSE E 138 12 HET MSE F 61 8 HET MSE F 138 12 HET MSE G 61 8 HET MSE G 138 8 HET MSE H 61 8 HET MSE H 138 8 >LEU.A 13 30.24 12.94 35.56 30.75 11.35 34.09 30.49 12.14 34.83 3 0 1000.00 -999 ? >GLU.A 14 24.35 13.35 38.48 25.35 11.59 37.93 24.85 12.47 38.20 2 0 1000.00 -999 ? >GLU.A 15 29.06 17.55 35.22 30.51 18.18 33.82 29.79 17.86 34.52 2 0 1000.00 -999 ? >TYR.A 16 24.66 16.66 33.20 26.55 16.25 31.22 25.60 16.45 32.21 3 0 1000.00 -999 ? >ALA.A 17 21.62 18.18 38.26 20.56 17.12 38.08 21.09 17.65 38.17 2 0 1000.00 -999 ? >SER~A 18 21.90 19.16 41.90 19.78 20.14 42.67 20.84 19.65 42.28 2 0 1000.00 -999 ? >ALA~A 19 21.97 16.53 44.63 22.89 16.49 45.83 22.43 16.51 45.23 2 0 1000.00 -999 ? >GLU~A 20 17.08 19.99 46.44 16.72 22.13 46.22 16.90 21.06 46.33 2 0 1000.00 -999 ? >ASP~A 21 17.51 18.16 40.99 17.83 20.23 40.74 17.67 19.19 40.87 2 0 1000.00 -999 ? >ILE~A 22 19.38 13.62 42.05 20.30 13.33 41.36 19.84 13.47 41.71 3 0 1000.00 -999 ? >SER~A 23 16.79 13.13 45.80 18.70 12.92 47.26 17.74 13.02 46.53 2 0 1000.00 -999 ? >ARG~A 24 12.35 18.78 44.89 12.46 19.69 47.84 12.41 19.24 46.37 2 0 1000.00 -999 ? >VAL~A 25 12.65 12.96 42.17 14.01 13.24 40.46 13.33 13.10 41.32 3 0 1000.00 -999 ? >ARG~A 26 17.11 8.26 45.01 20.19 8.28 45.28 18.65 8.27 45.15 2 0 1000.00 -999 ? >ALA~A 27 11.08 10.70 46.62 11.22 11.87 47.58 11.15 11.28 47.10 2 0 1000.00 -999 ? >GLU.A 28 7.83 13.72 43.89 8.60 15.57 43.15 8.22 14.64 43.52 2 0 1000.00 -999 ? >LEU.A 29 10.56 8.09 40.85 10.16 8.39 38.78 10.36 8.24 39.82 3 0 1000.00 -999 ? >LEU.A 30 5.06 5.90 41.61 3.75 6.57 43.25 4.41 6.23 42.43 3 0 1000.00 -999 ? >THR.A 31 7.61 3.91 38.35 8.00 4.57 36.32 7.80 4.24 37.33 2 0 1000.00 -999 ? >CYH.A 32 10.35 1.31 37.95 10.09 1.50 35.16 10.22 1.41 36.55 2 0 1000.00 -999 ? >PRO.A 33 9.53 0.18 42.04 11.06 1.42 40.98 10.29 0.80 41.51 3 0 1000.00 -999 ? >GLU.A 34 14.19 -3.54 42.12 14.19 -3.20 44.19 14.19 -3.37 43.16 2 0 1000.00 -999 ? >LEU.A 35 14.87 0.64 36.87 15.38 0.54 34.76 15.12 0.59 35.81 3 0 1000.00 -999 ? >ASN~A 36 20.07 -1.48 37.00 22.05 -1.02 37.39 21.06 -1.25 37.19 2 0 1000.00 -999 ? >THR~A 37 19.86 3.35 37.06 19.51 4.37 38.98 19.68 3.86 38.02 2 0 1000.00 -999 ? >SER~A 38 23.43 2.62 35.90 24.69 2.03 37.90 24.06 2.33 36.90 2 0 1000.00 -999 ? >LEU~A 39 21.59 -0.39 32.73 22.64 -2.27 33.04 22.12 -1.33 32.88 3 0 1000.00 -999 ? >ALA~A 40 18.95 3.18 32.05 17.61 2.62 32.49 18.28 2.90 32.27 2 0 1000.00 -999 ? >GLY~A 41 20.04 6.56 33.38 19.65 6.04 33.90 19.85 6.30 33.64 1 0 1000.00 -999 ? >THR^A 42 18.83 8.77 36.20 20.04 9.19 37.87 19.43 8.98 37.04 2 0 1000.00 -999 ? >ILE^A 43 14.31 10.42 36.80 13.57 10.19 35.55 13.94 10.31 36.18 3 0 1000.00 -999 ? >ILE^A 44 17.76 14.80 35.80 18.37 16.01 34.93 18.06 15.41 35.36 3 0 1000.00 -999 ? >GLU^A 45 12.47 18.48 35.94 12.91 20.43 35.27 12.69 19.46 35.61 2 0 1000.00 -999 ? >ILE^A 46 9.35 14.09 37.32 9.38 13.02 38.25 9.37 13.55 37.79 3 0 1000.00 -999 ? >ASP^A 47 6.73 18.56 35.85 5.83 20.29 36.77 6.28 19.43 36.31 2 0 1000.00 -999 ? >LYS.A 48 2.94 16.62 35.25 -1.97 15.38 33.87 0.48 16.00 34.56 2 0 1000.00 -999 ? >ASN.A 49 2.35 15.77 31.00 0.37 14.94 30.91 1.36 15.36 30.95 2 0 1000.00 -999 ? >TYR^A 50 8.54 17.69 31.85 11.15 18.57 31.49 9.84 18.13 31.67 3 0 1000.00 -999 ? >ALA^A 51 10.41 14.17 32.76 10.27 12.70 33.06 10.34 13.44 32.91 2 0 1000.00 -999 ? >LYS^A 52 14.12 14.83 32.15 16.69 20.53 30.80 15.40 17.68 31.48 2 0 1000.00 -999 ? >SER^A 53 16.90 12.24 32.44 16.53 10.30 31.02 16.71 11.27 31.73 2 0 1000.00 -999 ? >ILE^A 54 21.55 12.77 32.33 22.24 12.91 32.83 21.89 12.84 32.58 3 0 1000.00 -999 ? >LEU^A 55 21.91 7.81 29.49 22.03 5.68 29.05 21.97 6.75 29.27 3 0 1000.00 -999 ? >ILE^A 56 27.00 9.05 32.43 26.68 9.28 34.01 26.84 9.16 33.22 3 0 1000.00 -999 ? >THR.A 57 27.55 5.88 28.89 27.96 6.82 27.01 27.75 6.35 27.95 2 0 1000.00 -999 ? >THR~A 58 29.75 3.20 30.49 28.57 2.63 32.26 29.16 2.91 31.38 2 0 1000.00 -999 ? >SER~A 59 31.94 0.35 29.37 33.14 -0.40 31.26 32.54 -0.03 30.32 2 0 1000.00 -999 ? >GLU~A 60 29.30 -2.54 32.76 28.31 -2.82 34.61 28.80 -2.68 33.69 2 0 1000.00 -999 ? >MET?A 61 27.07 -0.83 27.28 25.29 2.78 28.91 26.18 0.97 28.09 2 0 1000.00 -999 ? >VAL~A 62 29.67 -1.10 24.51 31.71 -1.13 25.32 30.69 -1.12 24.91 3 0 1000.00 -999 ? >ALA.A 63 29.03 -3.16 21.39 28.28 -2.62 20.20 28.66 -2.89 20.80 2 0 1000.00 -999 ? >ASP.A 64 32.75 -2.99 18.91 32.68 -0.90 18.44 32.71 -1.94 18.68 2 0 1000.00 -999 ? >ASP.A 65 37.40 -3.40 21.37 38.22 -3.66 19.42 37.81 -3.53 20.40 2 0 1000.00 -999 ? >GLN.A 66 36.14 -0.11 17.33 38.26 -0.03 17.27 37.20 -0.07 17.30 2 0 1000.00 -999 ? >GLY.A 67 33.63 2.58 22.20 33.32 2.23 21.55 33.48 2.41 21.87 1 0 1000.00 -999 ? >LEU.A 68 30.36 1.49 18.84 28.84 1.55 17.34 29.60 1.52 18.09 3 0 1000.00 -999 ? >ILE.A 69 26.99 3.35 23.21 27.34 3.23 24.72 27.17 3.29 23.96 3 0 1000.00 -999 ? >PHE~A 70 23.63 -2.79 22.03 22.01 -4.76 20.91 22.82 -3.77 21.47 3 0 1000.00 -999 ? >ASP~A 71 21.15 1.32 19.21 22.52 2.10 17.75 21.83 1.71 18.48 2 0 1000.00 -999 ? >ALA~A 72 19.34 -0.49 23.00 19.31 -1.96 23.26 19.33 -1.22 23.13 2 0 1000.00 -999 ? >PHE~A 73 22.70 0.14 26.82 23.50 -2.41 27.49 23.10 -1.14 27.16 3 0 1000.00 -999 ? >ILE~A 74 19.86 5.14 23.00 20.43 5.94 22.01 20.14 5.54 22.50 3 0 1000.00 -999 ? >PHE~A 75 14.34 1.36 23.39 11.63 0.69 23.58 12.98 1.03 23.48 3 0 1000.00 -999 ? >ALA~A 76 16.38 1.83 27.67 17.48 1.04 28.33 16.93 1.44 28.00 2 0 1000.00 -999 ? >ALA~A 77 16.97 5.39 28.78 18.16 6.25 28.45 17.56 5.82 28.61 2 0 1000.00 -999 ? >ALA~A 78 14.08 6.61 26.61 14.01 6.52 25.13 14.04 6.57 25.87 2 0 1000.00 -999 ? >ASN~A 79 12.32 2.38 27.84 10.93 0.95 28.57 11.63 1.66 28.21 2 0 1000.00 -999 ? >TYR~A 80 14.20 5.03 33.63 14.50 5.50 36.36 14.35 5.26 34.99 3 0 1000.00 -999 ? >VAL~A 81 12.14 8.69 31.10 12.88 10.44 30.03 12.51 9.56 30.56 3 0 1000.00 -999 ? >ALA~A 82 8.90 8.04 29.14 8.66 7.08 27.98 8.78 7.56 28.56 2 0 1000.00 -999 ? >GLN~A 83 7.70 3.63 31.58 7.66 1.74 32.52 7.68 2.69 32.05 2 0 1000.00 -999 ? >ALA~A 84 8.76 8.78 34.47 10.15 9.22 34.69 9.46 9.00 34.58 2 0 1000.00 -999 ? >SER~A 85 6.75 11.39 32.54 6.16 10.62 30.33 6.45 11.00 31.44 2 0 1000.00 -999 ? >ILE~A 86 3.10 8.27 32.81 2.14 8.84 32.13 2.62 8.56 32.47 3 0 1000.00 -999 ? >ASN~A 87 5.06 9.69 37.69 5.95 9.36 39.60 5.50 9.53 38.65 2 0 1000.00 -999 ? >LYS.A 88 2.21 5.72 37.70 -2.87 7.86 37.73 -0.33 6.79 37.71 2 0 1000.00 -999 ? >GLU.A 89 3.11 1.55 42.21 2.44 1.38 44.16 2.77 1.47 43.19 2 0 1000.00 -999 ? >PHE.A 90 0.63 -0.91 39.71 0.58 -1.49 42.43 0.61 -1.20 41.07 3 0 1000.00 -999 ? >SER^A 91 2.69 0.83 34.12 4.31 2.58 34.09 3.50 1.71 34.10 2 0 1000.00 -999 ? >VAL^A 92 4.36 -0.80 31.18 3.29 -2.71 31.20 3.83 -1.75 31.19 3 0 1000.00 -999 ? >ILE^A 93 6.44 0.89 27.16 7.85 1.22 27.25 7.14 1.06 27.20 3 0 1000.00 -999 ? >ILE^A 94 1.78 -1.44 24.89 0.60 -0.95 25.21 1.19 -1.19 25.05 3 0 1000.00 -999 ? >GLY^A 95 4.69 0.02 21.68 4.98 0.46 22.33 4.83 0.24 22.01 1 0 1000.00 -999 ? >SER^A 96 7.39 2.32 20.32 9.22 0.95 21.09 8.31 1.64 20.71 2 0 1000.00 -999 ? >LYS^A 97 8.54 4.12 17.20 7.66 5.67 11.93 8.10 4.90 14.56 2 0 1000.00 -999 ? >CYH^A 98 12.16 5.37 17.40 12.29 4.14 19.88 12.23 4.76 18.64 2 0 1000.00 -999 ? >PHE^A 99 13.21 8.36 13.67 10.86 8.20 12.20 12.03 8.28 12.94 3 0 1000.00 -999 ? >PHE^A 100 18.27 4.51 17.24 16.88 2.88 18.95 17.58 3.70 18.09 3 0 1000.00 -999 ? >TYR.A 101 18.41 11.42 14.37 15.69 12.09 14.37 17.05 11.76 14.37 3 0 1000.00 -999 ? >ALA.A 102 23.66 8.76 15.33 24.37 10.06 15.40 24.02 9.41 15.37 2 0 1000.00 -999 ? >PRO.A 103 26.78 5.75 16.02 25.05 6.64 17.10 25.91 6.19 16.56 3 0 1000.00 -999 ? >LEU.A 104 25.97 7.02 22.39 24.21 8.18 22.92 25.09 7.60 22.66 3 0 1000.00 -999 ? >LYS.A 105 30.33 6.99 21.83 34.47 9.36 18.25 32.40 8.18 20.04 2 0 1000.00 -999 ? >LEU.A 106 32.70 4.64 25.42 33.13 3.75 27.34 32.92 4.19 26.38 3 0 1000.00 -999 ? >GLY.A 107 32.20 8.92 27.30 31.47 8.79 26.94 31.83 8.85 27.12 1 0 1000.00 -999 ? >ASP.A 108 28.40 10.36 24.60 29.38 11.13 22.90 28.89 10.74 23.75 2 0 1000.00 -999 ? >VAL^A 109 26.38 11.73 28.20 26.66 13.22 29.79 26.52 12.47 28.99 3 0 1000.00 -999 ? >LEU^A 110 22.31 10.32 26.29 20.84 9.87 24.83 21.57 10.10 25.56 3 0 1000.00 -999 ? >GLU^A 111 22.04 15.88 28.46 22.64 17.93 28.49 22.34 16.91 28.48 2 0 1000.00 -999 ? >LEU^A 112 16.36 11.51 27.65 17.67 9.72 27.50 17.02 10.61 27.58 3 0 1000.00 -999 ? >GLU^A 113 14.39 17.24 27.77 14.19 19.24 27.16 14.29 18.24 27.46 2 0 1000.00 -999 ? >ALA^A 114 9.97 13.32 27.64 9.87 12.01 28.42 9.92 12.66 28.03 2 0 1000.00 -999 ? >HIS^A 115 7.73 17.16 26.45 9.17 18.62 26.90 8.45 17.89 26.67 3 0 1000.00 -999 ? >ALA^A 116 3.35 13.08 27.41 2.89 12.51 28.73 3.12 12.80 28.07 2 0 1000.00 -999 ? >LEU.A 117 0.10 13.39 23.81 0.94 14.10 21.91 0.52 13.74 22.86 3 0 1000.00 -999 ? >PHE.A 118 -3.80 17.40 28.04 -5.78 18.30 29.80 -4.79 17.85 28.92 3 0 1000.00 -999 ? >ASP.A 119 -4.48 11.76 27.44 -6.08 10.44 27.05 -5.28 11.10 27.25 2 0 1000.00 -999 ? >GLU.A 120 -5.61 14.80 33.20 -6.04 16.11 34.84 -5.83 15.46 34.02 2 0 1000.00 -999 ? >THR.A 121 -8.96 10.18 30.66 -10.08 10.83 28.87 -9.52 10.50 29.76 2 0 1000.00 -999 ? >SER.A 122 -7.27 7.20 29.05 -6.31 5.92 27.19 -6.79 6.56 28.12 2 0 1000.00 -999 ? >LYS.A 123 -4.77 4.84 30.77 -6.77 3.07 35.50 -5.77 3.96 33.13 2 0 1000.00 -999 ? >LYS^A 124 -2.98 4.60 27.40 -2.95 2.12 21.49 -2.96 3.36 24.44 2 0 1000.00 -999 ? >ARG^A 125 -1.94 8.85 29.42 -1.00 11.62 30.34 -1.47 10.23 29.88 2 0 1000.00 -999 ? >ASP^A 126 1.18 9.10 22.61 -0.34 7.81 21.82 0.42 8.45 22.22 2 0 1000.00 -999 ? >VAL^A 127 5.06 10.06 25.07 5.74 9.67 27.09 5.40 9.86 26.08 3 0 1000.00 -999 ? >LYS^A 128 7.44 12.03 22.87 8.65 12.01 18.06 8.05 12.02 20.46 2 0 1000.00 -999 ? >VAL^A 129 11.10 11.47 23.82 11.59 9.79 25.14 11.34 10.63 24.48 3 0 1000.00 -999 ? >VAL^A 130 14.11 13.34 22.46 14.36 15.43 21.98 14.24 14.39 22.22 3 0 1000.00 -999 ? >GLY^A 131 17.82 12.74 23.21 17.72 13.23 22.55 17.77 12.98 22.88 1 0 1000.00 -999 ? >HIS^A 132 19.62 17.26 22.48 18.11 18.25 21.41 18.87 17.75 21.94 3 0 1000.00 -999 ? >VAL^A 133 24.55 14.83 23.27 26.07 13.24 23.12 25.31 14.03 23.19 3 0 1000.00 -999 ? >LYS.A 134 25.56 18.41 23.98 31.21 18.40 24.19 28.39 18.40 24.09 2 0 1000.00 -999 ? >GLU.A 135 25.60 22.08 20.48 26.88 20.50 19.96 26.24 21.29 20.22 2 0 1000.00 -999 ? >ILE^A 136 24.44 16.68 18.26 25.40 16.29 17.27 24.92 16.48 17.77 3 0 1000.00 -999 ? >LYS^A 137 19.88 15.66 18.60 14.00 16.79 17.13 16.94 16.23 17.86 2 0 1000.00 -999 ? >MET?A 138 20.78 11.94 18.54 24.25 12.50 18.88 22.51 12.22 18.71 2 0 1000.00 -999 ? >PHE^A 139 16.61 8.42 20.76 14.41 6.75 21.45 15.51 7.59 21.10 3 0 1000.00 -999 ? >GLU^A 140 12.39 12.68 17.54 12.65 14.58 16.58 12.52 13.63 17.06 2 0 1000.00 -999 ? >GLY^A 141 10.90 8.58 19.59 10.69 9.25 19.91 10.79 8.91 19.75 1 0 1000.00 -999 ? >THR^A 142 7.31 7.97 20.57 5.56 8.70 19.61 6.44 8.34 20.09 2 0 1000.00 -999 ? >ILE^A 143 7.65 5.45 24.42 8.74 4.69 25.05 8.20 5.07 24.74 3 0 1000.00 -999 ? >GLN^A 144 2.03 4.14 22.01 0.66 3.04 20.75 1.35 3.59 21.38 2 0 1000.00 -999 ? >VAL^A 145 2.73 3.77 28.09 3.96 4.82 29.58 3.34 4.29 28.84 3 0 1000.00 -999 ? >VAL^A 146 -0.27 2.02 29.66 -1.70 0.72 28.65 -0.99 1.37 29.15 3 0 1000.00 -999 ? >SER^A 147 -1.10 1.93 33.37 -1.88 4.18 33.87 -1.49 3.05 33.62 2 0 1000.00 -999 ? >THR.A 148 -3.28 -0.14 35.60 -2.57 -2.06 34.89 -2.93 -1.10 35.24 2 0 1000.00 -999 ? >ASP.A 149 -6.32 0.52 39.36 -7.37 1.71 37.93 -6.84 1.12 38.65 2 0 1000.00 -999 ? >GLU.A 150 -4.92 -3.55 41.80 -6.71 -4.68 42.07 -5.81 -4.11 41.93 2 0 1000.00 -999 ? >HIS.A 151 2.39 -5.61 39.55 4.09 -6.19 38.48 3.24 -5.90 39.02 3 0 1000.00 -999 ? >ILE.A 152 0.63 -5.99 34.59 1.12 -6.13 33.36 0.87 -6.06 33.97 3 0 1000.00 -999 ? >PHE.A 153 3.18 -10.15 36.57 5.19 -9.81 34.66 4.18 -9.98 35.62 3 0 1000.00 -999 ? >LYS.A 154 -2.10 -9.73 39.71 -4.48 -6.06 44.03 -3.29 -7.89 41.87 2 0 1000.00 -999 ? >GLU.B 14 21.63 -22.89 30.03 22.42 -24.25 31.48 22.02 -23.57 30.76 2 0 1000.00 -999 ? >GLU.B 15 16.71 -26.09 27.97 16.25 -25.47 29.94 16.48 -25.78 28.95 2 0 1000.00 -999 ? >TYR.B 16 16.11 -22.56 25.07 14.03 -22.30 26.90 15.07 -22.43 25.98 3 0 1000.00 -999 ? >ALA.B 17 21.07 -24.86 22.43 21.55 -23.58 21.76 21.31 -24.22 22.10 2 0 1000.00 -999 ? >SER.B 18 23.95 -27.26 23.14 24.75 -29.57 23.04 24.35 -28.41 23.09 2 0 1000.00 -999 ? >ALA.B 19 27.32 -25.92 24.30 28.23 -26.57 25.32 27.77 -26.24 24.81 2 0 1000.00 -999 ? >GLU.B 20 30.15 -28.69 21.67 32.22 -28.45 21.89 31.18 -28.57 21.78 2 0 1000.00 -999 ? >ASP.B 21 24.42 -27.53 19.62 22.85 -27.89 18.24 23.64 -27.71 18.93 2 0 1000.00 -999 ? >ILE.B 22 25.44 -24.52 15.18 26.07 -23.61 14.30 25.76 -24.06 14.74 3 0 1000.00 -999 ? >SER.B 23 26.48 -22.36 19.56 26.80 -21.72 21.85 26.64 -22.04 20.71 2 0 1000.00 -999 ? >ARG.B 24 31.40 -22.93 20.37 31.79 -19.88 20.60 31.59 -21.40 20.49 2 0 1000.00 -999 ? >VAL.B 25 28.28 -19.37 16.19 26.22 -18.62 16.07 27.25 -18.99 16.13 3 0 1000.00 -999 ? >ARG.B 26 29.91 -16.68 21.55 26.93 -15.96 21.22 28.42 -16.32 21.39 2 0 1000.00 -999 ? >ALA.B 27 33.22 -18.38 15.38 33.47 -19.85 15.02 33.34 -19.12 15.20 2 0 1000.00 -999 ? >GLU.B 28 30.44 -18.76 11.02 29.00 -20.30 10.76 29.72 -19.53 10.89 2 0 1000.00 -999 ? >LEU.B 29 29.23 -13.88 16.02 27.27 -13.28 16.77 28.25 -13.58 16.40 3 0 1000.00 -999 ? >LEU.B 30 30.97 -10.11 11.69 32.21 -11.17 10.18 31.59 -10.64 10.94 3 0 1000.00 -999 ? >THR.B 31 28.51 -7.93 14.72 26.36 -7.67 14.74 27.43 -7.80 14.73 2 0 1000.00 -999 ? >CYH.B 32 28.63 -6.61 18.34 26.04 -5.73 18.06 27.33 -6.17 18.20 2 0 1000.00 -999 ? >PRO.B 33 32.99 -6.98 18.13 31.24 -8.10 19.05 32.11 -7.54 18.59 3 0 1000.00 -999 ? >GLU.B 34 33.68 -5.56 23.86 35.24 -6.97 23.68 34.46 -6.27 23.77 2 0 1000.00 -999 ? >LEU.B 35 27.01 -6.95 22.81 24.86 -6.59 23.02 25.94 -6.77 22.92 3 0 1000.00 -999 ? >ASN~B 36 26.92 -7.29 28.41 26.85 -8.43 30.21 26.89 -7.86 29.31 2 0 1000.00 -999 ? >THR~B 37 25.48 -11.37 26.29 26.13 -13.35 25.69 25.81 -12.36 25.99 2 0 1000.00 -999 ? >SER~B 38 23.92 -11.59 29.76 25.52 -12.66 31.22 24.72 -12.12 30.49 2 0 1000.00 -999 ? >LEU~B 39 22.41 -7.09 29.38 23.12 -6.25 31.28 22.76 -6.67 30.33 3 0 1000.00 -999 ? >ALA~B 40 21.09 -8.86 25.39 22.00 -8.14 24.45 21.54 -8.50 24.92 2 0 1000.00 -999 ? >GLY~B 41 20.86 -12.63 25.09 21.57 -12.25 24.92 21.22 -12.44 25.01 1 0 1000.00 -999 ? >THR^B 42 22.86 -15.14 23.12 24.09 -16.50 24.25 23.47 -15.82 23.68 2 0 1000.00 -999 ? >ILE^B 43 23.52 -15.23 18.33 22.65 -14.30 18.01 23.08 -14.77 18.17 3 0 1000.00 -999 ? >ILE^B 44 20.90 -20.22 19.73 19.79 -20.35 20.47 20.35 -20.28 20.10 3 0 1000.00 -999 ? >GLU^B 45 20.32 -21.57 13.68 18.65 -22.89 13.66 19.49 -22.23 13.67 2 0 1000.00 -999 ? >ILE^B 46 23.81 -16.81 12.25 24.99 -16.37 13.01 24.40 -16.59 12.63 3 0 1000.00 -999 ? >ASP^B 47 21.23 -18.95 8.03 21.94 -20.95 7.74 21.58 -19.95 7.88 2 0 1000.00 -999 ? >LYS.B 48 21.92 -15.56 5.40 24.07 -15.17 0.57 22.99 -15.37 2.99 2 0 1000.00 -999 ? >ASN.B 49 18.55 -12.76 5.14 19.57 -11.64 3.65 19.06 -12.20 4.39 2 0 1000.00 -999 ? >TYR^B 50 17.27 -17.19 10.01 15.97 -18.80 11.86 16.62 -18.00 10.93 3 0 1000.00 -999 ? >ALA^B 51 19.23 -15.24 13.17 20.02 -14.05 13.63 19.63 -14.64 13.40 2 0 1000.00 -999 ? >LYS^B 52 17.77 -16.88 16.29 14.91 -22.40 16.56 16.34 -19.64 16.42 2 0 1000.00 -999 ? >SER^B 53 18.52 -15.90 19.89 18.03 -13.57 20.30 18.28 -14.73 20.09 2 0 1000.00 -999 ? >ILE^B 54 17.70 -17.94 24.05 18.15 -19.32 23.85 17.92 -18.63 23.95 3 0 1000.00 -999 ? >LEU^B 55 16.41 -12.85 26.14 16.92 -10.96 27.07 16.67 -11.90 26.60 3 0 1000.00 -999 ? >ILE^B 56 18.15 -16.65 30.37 18.46 -18.02 30.71 18.31 -17.33 30.54 3 0 1000.00 -999 ? >THR.B 57 15.69 -13.00 32.12 13.55 -13.17 32.00 14.62 -13.08 32.06 2 0 1000.00 -999 ? >THR~B 58 17.72 -12.13 35.22 19.66 -12.14 34.33 18.69 -12.14 34.78 2 0 1000.00 -999 ? >SER~B 59 17.34 -10.14 38.42 19.05 -11.33 39.61 18.20 -10.74 39.02 2 0 1000.00 -999 ? >GLU~B 60 21.77 -6.87 35.78 22.03 -5.51 37.36 21.90 -6.19 36.57 2 0 1000.00 -999 ? >MET?B 61 16.67 -6.52 34.41 17.30 -9.41 31.33 16.99 -7.97 32.87 2 0 1000.00 -999 ? >VAL~B 62 13.76 -6.17 36.81 13.99 -7.39 38.66 13.87 -6.78 37.73 3 0 1000.00 -999 ? >ALA.B 63 11.79 -2.93 37.01 10.69 -2.60 36.02 11.24 -2.77 36.52 2 0 1000.00 -999 ? >ASP.B 64 8.75 -3.53 40.36 7.63 -5.01 39.32 8.19 -4.27 39.84 2 0 1000.00 -999 ? >ASP.B 65 10.40 -5.84 44.76 8.50 -5.74 45.71 9.45 -5.79 45.23 2 0 1000.00 -999 ? >GLN.B 66 5.55 -6.74 42.38 4.98 -7.71 44.15 5.27 -7.22 43.26 2 0 1000.00 -999 ? >GLY.B 67 9.66 -9.74 38.93 9.24 -9.07 38.77 9.45 -9.41 38.85 1 0 1000.00 -999 ? >LEU.B 68 7.59 -6.20 36.35 6.31 -5.15 34.98 6.95 -5.68 35.66 3 0 1000.00 -999 ? >ILE.B 69 11.39 -8.33 32.47 12.76 -8.82 32.79 12.08 -8.57 32.63 3 0 1000.00 -999 ? >PHE.B 70 13.11 -1.46 32.07 12.95 1.18 31.24 13.03 -0.14 31.65 3 0 1000.00 -999 ? >ASP~B 71 9.56 -2.91 27.99 7.77 -3.51 29.01 8.66 -3.21 28.50 2 0 1000.00 -999 ? >ALA~B 72 13.98 -2.31 27.05 14.74 -1.14 27.59 14.36 -1.73 27.32 2 0 1000.00 -999 ? >PHE~B 73 16.77 -5.46 30.04 18.20 -3.92 31.90 17.49 -4.69 30.97 3 0 1000.00 -999 ? >ILE~B 74 11.85 -7.27 25.31 11.54 -7.78 25.88 11.69 -7.53 25.60 3 0 1000.00 -999 ? >PHE~B 75 14.45 -2.22 21.84 15.21 -0.80 19.58 14.83 -1.51 20.71 3 0 1000.00 -999 ? >ALA~B 76 17.97 -5.10 23.52 18.71 -5.11 24.86 18.34 -5.11 24.19 2 0 1000.00 -999 ? >ALA~B 77 17.52 -8.76 22.64 16.63 -9.77 23.33 17.08 -9.26 22.98 2 0 1000.00 -999 ? >ALA~B 78 15.62 -7.78 19.49 14.29 -7.08 19.45 14.96 -7.43 19.47 2 0 1000.00 -999 ? >ASN~B 79 18.77 -4.17 19.67 20.16 -2.77 18.92 19.47 -3.47 19.30 2 0 1000.00 -999 ? >TYR~B 80 22.60 -9.40 20.27 24.95 -10.88 20.43 23.77 -10.14 20.35 3 0 1000.00 -999 ? >VAL~B 81 19.35 -10.65 16.94 17.55 -11.91 16.87 18.45 -11.28 16.90 3 0 1000.00 -999 ? >ALA~B 82 18.33 -8.18 14.24 17.62 -6.84 14.45 17.98 -7.51 14.35 2 0 1000.00 -999 ? >GLN~B 83 22.37 -4.93 14.74 23.72 -3.68 15.73 23.04 -4.31 15.24 2 0 1000.00 -999 ? >ALA~B 84 23.04 -10.83 13.85 22.89 -11.80 15.01 22.96 -11.32 14.43 2 0 1000.00 -999 ? >SER~B 85 20.67 -11.52 10.95 19.15 -9.76 10.57 19.91 -10.64 10.76 2 0 1000.00 -999 ? >ILE~B 86 22.70 -7.67 8.88 21.75 -7.23 7.81 22.23 -7.45 8.34 3 0 1000.00 -999 ? >ASN~B 87 26.21 -11.61 10.24 27.96 -12.34 11.25 27.09 -11.98 10.74 2 0 1000.00 -999 ? >LYS.B 88 28.22 -7.23 9.16 28.27 -7.76 3.68 28.25 -7.50 6.42 2 0 1000.00 -999 ? >GLU.B 89 33.73 -5.25 11.29 35.76 -5.80 11.04 34.75 -5.53 11.16 2 0 1000.00 -999 ? >PHE.B 90 32.64 -1.70 10.30 35.36 -2.17 10.41 34.00 -1.93 10.35 3 0 1000.00 -999 ? >SER^B 91 26.60 -1.88 11.55 25.76 -4.03 12.29 26.18 -2.95 11.92 2 0 1000.00 -999 ? >VAL^B 92 24.22 0.12 13.63 24.67 2.18 14.10 24.44 1.15 13.86 3 0 1000.00 -999 ? >ILE^B 93 19.53 -0.37 14.81 19.01 -1.02 15.86 19.27 -0.69 15.34 3 0 1000.00 -999 ? >ILE^B 94 19.12 3.79 11.15 18.28 4.33 9.79 18.70 4.06 10.47 3 0 1000.00 -999 ? >GLY^B 95 15.12 3.15 13.45 15.51 2.42 13.54 15.32 2.78 13.49 1 0 1000.00 -999 ? >SER^B 96 12.60 0.75 14.95 12.89 0.77 17.38 12.74 0.76 16.17 2 0 1000.00 -999 ? >LYS^B 97 8.89 0.06 15.28 4.59 -0.80 11.51 6.74 -0.37 13.40 2 0 1000.00 -999 ? >CYH^B 98 8.05 -2.32 18.14 10.70 -2.33 18.77 9.38 -2.33 18.45 2 0 1000.00 -999 ? >PHE^B 99 3.44 -3.54 17.80 2.69 -1.99 15.58 3.06 -2.76 16.69 3 0 1000.00 -999 ? >PHE^B 100 7.20 -3.83 24.06 9.53 -2.47 23.36 8.37 -3.15 23.71 3 0 1000.00 -999 ? >TYR.B 101 2.07 -8.44 21.30 2.29 -7.94 18.58 2.18 -8.19 19.94 3 0 1000.00 -999 ? >ALA.B 102 2.92 -8.62 27.19 2.39 -10.02 27.34 2.66 -9.32 27.26 2 0 1000.00 -999 ? >PRO.B 103 3.93 -7.46 31.28 4.97 -8.04 29.39 4.45 -7.75 30.33 3 0 1000.00 -999 ? >LEU.B 104 9.41 -10.98 30.04 9.52 -11.54 27.94 9.47 -11.26 28.99 3 0 1000.00 -999 ? >LYS.B 105 8.34 -12.04 34.17 5.57 -13.40 39.53 6.95 -12.72 36.85 2 0 1000.00 -999 ? >LEU.B 106 11.99 -12.51 37.30 14.11 -12.95 37.63 13.05 -12.73 37.46 3 0 1000.00 -999 ? >GLY.B 107 12.31 -16.58 35.14 12.12 -16.09 34.50 12.21 -16.33 34.82 1 0 1000.00 -999 ? >ASP.B 108 9.60 -16.01 31.09 9.36 -14.02 31.61 9.48 -15.02 31.35 2 0 1000.00 -999 ? >VAL^B 109 13.10 -17.18 28.67 13.69 -19.23 28.27 13.40 -18.21 28.47 3 0 1000.00 -999 ? >LEU^B 110 12.56 -13.77 25.44 11.39 -12.43 24.26 11.98 -13.10 24.85 3 0 1000.00 -999 ? >GLU^B 111 12.64 -19.36 22.91 11.82 -21.30 22.46 12.23 -20.33 22.69 2 0 1000.00 -999 ? >LEU^B 112 14.25 -13.11 19.56 14.63 -11.88 21.29 14.44 -12.49 20.43 3 0 1000.00 -999 ? >GLU^B 113 13.09 -16.61 13.66 12.06 -18.40 13.17 12.57 -17.50 13.42 2 0 1000.00 -999 ? >ALA^B 114 14.83 -12.39 13.02 15.91 -11.47 13.51 15.37 -11.93 13.27 2 0 1000.00 -999 ? >HIS^B 115 12.77 -14.24 9.14 12.49 -16.28 9.54 12.63 -15.26 9.34 3 0 1000.00 -999 ? >ALA^B 116 15.99 -9.66 7.02 17.46 -9.56 6.76 16.72 -9.61 6.89 2 0 1000.00 -999 ? >LEU.B 117 12.77 -7.58 4.02 11.08 -7.54 5.41 11.93 -7.56 4.72 3 0 1000.00 -999 ? >LYS.B 123 23.34 -1.08 3.01 28.34 -0.19 1.90 25.84 -0.63 2.46 2 0 1000.00 -999 ? >LYS^B 124 20.03 -0.24 4.70 18.09 4.82 5.41 19.06 2.29 5.05 2 0 1000.00 -999 ? >ARG^B 125 19.64 -5.11 3.65 19.61 -8.18 3.90 19.63 -6.65 3.77 2 0 1000.00 -999 ? >ASP^B 126 13.30 -3.54 6.70 12.97 -1.42 6.60 13.14 -2.48 6.65 2 0 1000.00 -999 ? >VAL^B 127 14.62 -6.80 9.84 16.50 -7.46 10.76 15.56 -7.13 10.30 3 0 1000.00 -999 ? >LYS^B 128 11.47 -8.50 11.14 6.09 -8.28 11.79 8.78 -8.39 11.47 2 0 1000.00 -999 ? >VAL^B 129 11.92 -9.67 14.75 13.66 -9.09 16.00 12.79 -9.38 15.38 3 0 1000.00 -999 ? >VAL^B 130 9.45 -11.81 16.71 7.97 -12.81 15.54 8.71 -12.31 16.13 3 0 1000.00 -999 ? >GLY^B 131 9.72 -13.00 20.31 8.96 -13.07 20.01 9.34 -13.04 20.16 1 0 1000.00 -999 ? >HIS^B 132 7.21 -16.93 19.93 6.19 -16.72 18.11 6.70 -16.83 19.02 3 0 1000.00 -999 ? >VAL^B 133 7.81 -17.12 25.67 7.91 -16.07 27.53 7.86 -16.59 26.60 3 0 1000.00 -999 ? >LYS.B 134 6.91 -20.74 25.26 5.29 -22.03 31.16 6.10 -21.38 28.21 2 0 1000.00 -999 ? >GLU.B 135 3.46 -23.16 23.32 5.50 -23.65 22.91 4.48 -23.41 23.12 2 0 1000.00 -999 ? >ILE^B 136 2.32 -16.76 24.54 1.62 -17.07 25.12 1.97 -16.92 24.83 3 0 1000.00 -999 ? >LYS^B 137 4.09 -14.32 20.99 2.24 -11.85 15.90 3.17 -13.09 18.45 2 0 1000.00 -999 ? >MET?B 138 5.11 -11.46 23.30 4.27 -13.13 26.31 4.69 -12.30 24.81 2 0 1000.00 -999 ? >PHE^B 139 9.27 -7.89 20.99 10.87 -5.92 19.74 10.07 -6.90 20.36 3 0 1000.00 -999 ? >GLU^B 140 5.80 -8.35 15.27 4.18 -9.39 14.55 4.99 -8.87 14.91 2 0 1000.00 -999 ? >GLY^B 141 9.04 -5.41 15.65 9.13 -6.04 15.19 9.09 -5.72 15.42 1 0 1000.00 -999 ? >THR^B 142 10.80 -4.06 12.58 9.89 -3.75 10.66 10.34 -3.91 11.62 2 0 1000.00 -999 ? >ILE^B 143 15.19 -3.57 14.03 15.83 -3.54 15.37 15.51 -3.55 14.70 3 0 1000.00 -999 ? >GLN^B 144 14.45 0.66 9.66 13.96 2.53 8.79 14.21 1.59 9.22 2 0 1000.00 -999 ? >VAL^B 145 19.98 -1.86 10.25 20.85 -3.69 11.08 20.41 -2.78 10.67 3 0 1000.00 -999 ? >VAL^B 146 22.58 0.04 8.24 22.17 2.08 7.46 22.38 1.06 7.85 3 0 1000.00 -999 ? >SER^B 147 26.11 -1.25 7.59 25.90 -3.08 6.05 26.01 -2.16 6.82 2 0 1000.00 -999 ? >THR.B 148 29.22 0.42 6.25 29.06 1.96 7.78 29.14 1.19 7.02 2 0 1000.00 -999 ? >ASP.B 149 33.13 -0.10 3.50 32.16 -0.95 1.81 32.64 -0.52 2.66 2 0 1000.00 -999 ? >GLU.B 150 35.70 3.29 7.86 36.90 4.44 6.57 36.30 3.86 7.22 2 0 1000.00 -999 ? >HIS~B 151 33.61 1.84 13.95 32.64 1.94 15.82 33.12 1.89 14.89 3 0 1000.00 -999 ? >ILE~B 152 29.26 4.77 12.51 28.68 4.52 13.18 28.97 4.64 12.84 3 0 1000.00 -999 ? >PHE~B 153 32.59 6.03 16.34 30.76 5.75 18.38 31.68 5.89 17.36 3 0 1000.00 -999 ? >LYS~B 154 35.16 7.25 10.94 40.72 4.91 10.93 37.94 6.08 10.93 2 0 1000.00 -999 ? >LEU~B 155 32.08 9.37 8.30 32.41 11.23 9.35 32.25 10.30 8.82 3 0 1000.00 -999 ? >LEU.C 13 2.43 2.14 71.19 0.96 2.04 72.83 1.70 2.09 72.01 3 0 1000.00 -999 ? >GLU.C 14 6.43 3.17 69.39 7.86 4.73 69.67 7.15 3.95 69.53 2 0 1000.00 -999 ? >GLU.C 15 7.29 -2.12 64.05 5.68 -2.27 62.63 6.48 -2.20 63.34 2 0 1000.00 -999 ? >TYR.C 16 9.47 1.55 63.98 7.56 1.56 61.95 8.52 1.55 62.97 3 0 1000.00 -999 ? >ALA.C 17 13.09 -0.69 68.40 14.10 0.43 68.60 13.60 -0.13 68.50 2 0 1000.00 -999 ? >SER.C 18 12.76 -2.64 71.67 14.93 -2.97 72.75 13.84 -2.81 72.21 2 0 1000.00 -999 ? >ALA.C 19 10.35 -1.14 74.26 8.96 -1.71 74.57 9.66 -1.43 74.42 2 0 1000.00 -999 ? >VAL~C 25 17.93 5.73 75.96 17.78 6.09 73.83 17.86 5.91 74.89 3 0 1000.00 -999 ? >ARG~C 26 12.68 8.86 79.16 13.24 11.62 77.94 12.96 10.24 78.55 2 0 1000.00 -999 ? >ALA~C 27 18.51 6.83 81.03 19.10 5.44 81.33 18.81 6.14 81.18 2 0 1000.00 -999 ? >GLU~C 28 22.09 6.77 77.87 23.66 5.35 77.57 22.88 6.06 77.72 2 0 1000.00 -999 ? >LEU~C 29 18.21 11.46 76.79 17.76 11.65 74.70 17.99 11.56 75.74 3 0 1000.00 -999 ? >LEU.C 30 21.99 15.30 79.14 23.39 13.83 80.02 22.69 14.56 79.58 3 0 1000.00 -999 ? >THR.C 31 19.01 17.05 76.14 19.10 17.03 73.97 19.06 17.04 75.05 2 0 1000.00 -999 ? >CYH.C 32 15.40 18.30 76.03 15.73 19.02 73.37 15.57 18.66 74.70 2 0 1000.00 -999 ? >PRO.C 33 15.51 17.99 80.43 14.66 16.88 78.69 15.08 17.44 79.56 3 0 1000.00 -999 ? >GLU.C 34 10.89 18.95 81.40 9.86 17.38 82.40 10.37 18.16 81.90 2 0 1000.00 -999 ? >LEU.C 35 11.18 17.50 74.28 10.85 17.91 72.20 11.01 17.70 73.24 3 0 1000.00 -999 ? >ASN~C 36 5.56 17.33 73.92 3.82 16.11 73.79 4.69 16.72 73.85 2 0 1000.00 -999 ? >THR~C 37 7.80 13.27 72.67 8.22 11.29 73.29 8.01 12.28 72.98 2 0 1000.00 -999 ? >SER~C 38 4.46 12.72 71.02 2.71 13.60 72.43 3.58 13.16 71.73 2 0 1000.00 -999 ? >LEU~C 39 4.75 17.18 69.32 2.74 17.93 69.60 3.74 17.55 69.46 3 0 1000.00 -999 ? >ALA~C 40 8.83 15.49 68.29 9.73 16.30 69.23 9.28 15.90 68.76 2 0 1000.00 -999 ? >GLY~C 41 9.23 11.74 68.21 9.34 12.14 68.93 9.29 11.94 68.57 1 0 1000.00 -999 ? >THR^C 42 11.07 9.30 70.42 10.11 7.81 71.72 10.59 8.55 71.07 2 0 1000.00 -999 ? >ILE^C 43 15.80 9.29 71.43 15.56 9.89 71.75 15.68 9.59 71.59 3 0 1000.00 -999 ? >ILE^C 44 14.92 4.69 68.40 14.24 4.35 68.29 14.58 4.52 68.34 3 0 1000.00 -999 ? >GLU^C 45 21.07 3.50 68.45 21.40 2.03 66.96 21.23 2.76 67.71 2 0 1000.00 -999 ? >ILE^C 46 21.72 7.89 72.03 21.94 8.79 73.16 21.83 8.34 72.60 3 0 1000.00 -999 ? >ASP^C 47 26.43 5.70 69.89 27.77 4.33 70.89 27.10 5.01 70.39 2 0 1000.00 -999 ? >LYS.C 48 28.90 9.23 70.37 33.56 9.98 73.71 31.23 9.60 72.04 2 0 1000.00 -999 ? >ASN.C 49 29.34 11.63 66.86 30.92 12.48 67.98 30.13 12.06 67.42 2 0 1000.00 -999 ? >TYR^C 50 24.59 7.36 65.67 22.80 5.72 64.37 23.70 6.54 65.02 3 0 1000.00 -999 ? >ALA^C 51 21.29 9.21 67.31 20.76 10.38 68.13 21.03 9.80 67.72 2 0 1000.00 -999 ? >LYS^C 52 18.26 7.56 65.75 17.98 1.89 63.30 18.12 4.72 64.53 2 0 1000.00 -999 ? >SER^C 53 14.59 8.41 66.33 14.07 10.69 65.69 14.33 9.55 66.01 2 0 1000.00 -999 ? >ILE^C 54 10.54 6.24 65.51 10.77 5.60 64.99 10.66 5.92 65.25 3 0 1000.00 -999 ? >LEU^C 55 8.41 11.32 63.90 7.16 13.09 63.86 7.79 12.21 63.88 3 0 1000.00 -999 ? >ILE^C 56 4.12 7.23 65.20 3.44 6.57 66.31 3.78 6.90 65.76 3 0 1000.00 -999 ? >THR.C 57 2.44 10.91 62.74 2.55 10.52 60.60 2.50 10.72 61.67 2 0 1000.00 -999 ? >THR~C 58 -0.72 11.85 64.61 0.11 11.98 66.62 -0.30 11.92 65.62 2 0 1000.00 -999 ? >SER~C 59 -3.95 13.75 64.02 -5.48 13.29 65.85 -4.72 13.52 64.94 2 0 1000.00 -999 ? >GLU~C 60 -2.27 15.24 68.30 -3.71 15.94 69.66 -2.99 15.59 68.98 2 0 1000.00 -999 ? >MET?C 61 0.03 17.36 63.33 3.05 14.49 64.04 1.54 15.92 63.68 2 0 1000.00 -999 ? >VAL~C 62 -2.31 17.61 60.32 -4.12 16.44 60.61 -3.21 17.02 60.46 3 0 1000.00 -999 ? >ALA.C 63 -2.44 20.72 58.16 -1.40 21.01 57.06 -1.92 20.87 57.61 2 0 1000.00 -999 ? >ASP.C 64 -5.56 19.95 55.06 -4.62 18.31 54.15 -5.09 19.13 54.60 2 0 1000.00 -999 ? >ASP.C 65 -10.06 17.70 56.35 -10.78 17.85 54.30 -10.42 17.77 55.32 2 0 1000.00 -999 ? >GLN.C 66 -7.33 16.55 51.87 -9.04 15.40 51.42 -8.19 15.98 51.65 2 0 1000.00 -999 ? >GLY.C 67 -4.11 13.80 56.29 -3.94 14.45 55.85 -4.02 14.12 56.07 1 0 1000.00 -999 ? >LEU.C 68 -1.65 17.36 54.26 -0.11 18.29 53.13 -0.88 17.82 53.70 3 0 1000.00 -999 ? >ILE.C 69 2.07 15.44 58.51 2.33 14.52 59.23 2.20 14.98 58.87 3 0 1000.00 -999 ? >PHE.C 70 2.41 22.38 59.72 3.19 25.09 59.65 2.80 23.73 59.68 3 0 1000.00 -999 ? >ASP~C 71 6.70 20.83 56.34 5.92 20.08 54.46 6.31 20.45 55.40 2 0 1000.00 -999 ? >ALA~C 72 7.37 21.67 60.84 6.72 22.83 61.55 7.05 22.25 61.20 2 0 1000.00 -999 ? >PHE~C 73 4.38 18.46 63.65 2.47 19.88 65.07 3.42 19.17 64.36 3 0 1000.00 -999 ? >ILE~C 74 9.15 16.13 59.17 9.52 16.00 58.41 9.33 16.07 58.79 3 0 1000.00 -999 ? >PHE~C 75 12.47 21.92 61.57 14.56 23.44 62.56 13.51 22.68 62.07 3 0 1000.00 -999 ? >ALA~C 76 10.74 19.14 65.07 9.36 19.13 65.66 10.05 19.13 65.37 2 0 1000.00 -999 ? >ALA~C 77 11.79 15.52 64.89 11.14 14.44 64.09 11.47 14.98 64.49 2 0 1000.00 -999 ? >ALA~C 78 15.02 16.48 63.09 15.10 17.24 61.80 15.06 16.86 62.45 2 0 1000.00 -999 ? >ASN~C 79 14.64 20.27 65.99 15.27 21.63 67.48 14.95 20.95 66.74 2 0 1000.00 -999 ? >TYR~C 80 13.99 15.10 70.15 13.95 13.74 72.57 13.97 14.42 71.36 3 0 1000.00 -999 ? >VAL~C 81 17.39 13.82 67.11 17.59 12.58 65.31 17.49 13.20 66.21 3 0 1000.00 -999 ? >ALA~C 82 20.10 16.28 66.06 19.97 17.51 65.19 20.04 16.90 65.63 2 0 1000.00 -999 ? >GLN~C 83 18.48 19.20 69.98 18.71 21.05 70.98 18.59 20.13 70.48 2 0 1000.00 -999 ? >ALA~C 84 20.27 13.81 70.81 19.22 12.79 70.49 19.74 13.30 70.65 2 0 1000.00 -999 ? >SER~C 85 23.36 13.15 68.68 23.60 14.89 67.02 23.48 14.02 67.85 2 0 1000.00 -999 ? >ILE~C 86 25.74 17.03 70.50 24.49 17.87 70.55 25.12 17.45 70.53 3 0 1000.00 -999 ? >ASN~C 87 23.64 13.36 74.36 22.41 12.85 76.02 23.03 13.10 75.19 2 0 1000.00 -999 ? >LYS.C 88 24.67 17.85 76.08 29.62 17.58 76.33 27.15 17.71 76.21 2 0 1000.00 -999 ? >GLU.C 89 22.12 19.00 81.59 22.92 19.02 83.56 22.52 19.01 82.57 2 0 1000.00 -999 ? >PHE.C 90 23.09 23.43 80.22 22.61 23.02 82.93 22.85 23.22 81.57 3 0 1000.00 -999 ? >SER^C 91 22.25 23.06 74.14 21.27 20.97 73.54 21.76 22.01 73.84 2 0 1000.00 -999 ? >VAL^C 92 20.21 24.92 71.55 20.21 26.92 72.39 20.21 25.92 71.97 3 0 1000.00 -999 ? >ILE^C 93 19.27 24.18 66.79 18.03 23.44 66.45 18.65 23.81 66.62 3 0 1000.00 -999 ? >ILE^C 94 22.49 28.94 66.53 23.82 29.04 66.84 23.16 28.99 66.69 3 0 1000.00 -999 ? >GLY^C 95 20.72 27.51 62.37 20.65 26.79 62.78 20.69 27.15 62.58 1 0 1000.00 -999 ? >SER^C 96 19.48 24.95 59.87 17.21 25.11 60.59 18.34 25.03 60.23 2 0 1000.00 -999 ? >LYS^C 97 19.36 24.09 56.16 20.60 25.41 50.65 19.98 24.75 53.41 2 0 1000.00 -999 ? >CYH^C 98 16.65 21.58 55.28 15.89 21.35 57.92 16.27 21.46 56.60 2 0 1000.00 -999 ? >PHE^C 99 17.23 20.11 50.77 19.27 21.79 49.87 18.25 20.95 50.32 3 0 1000.00 -999 ? >PHE^C 100 10.88 19.88 54.24 11.42 21.26 56.58 11.15 20.57 55.41 3 0 1000.00 -999 ? >TYR.C 101 13.82 15.19 49.33 16.44 15.87 49.69 15.13 15.53 49.51 3 0 1000.00 -999 ? >ALA.C 102 7.93 14.95 50.01 7.70 13.62 49.34 7.82 14.29 49.67 2 0 1000.00 -999 ? >PRO.C 103 3.74 16.12 50.97 5.65 15.54 52.01 4.70 15.83 51.49 3 0 1000.00 -999 ? >LEU.C 104 4.89 12.79 56.50 6.94 11.94 56.63 5.92 12.36 56.57 3 0 1000.00 -999 ? >LYS.C 105 0.75 11.55 55.29 -3.67 10.05 53.22 -1.46 10.80 54.26 2 0 1000.00 -999 ? >LEU.C 106 -2.47 11.23 58.92 -3.38 11.16 60.89 -2.92 11.20 59.90 3 0 1000.00 -999 ? >GLY.C 107 -0.32 7.12 59.39 0.32 7.64 59.24 0.00 7.38 59.32 1 0 1000.00 -999 ? >ASP.C 108 3.83 8.35 57.16 3.04 8.20 55.21 3.43 8.27 56.19 2 0 1000.00 -999 ? >VAL^C 109 6.11 6.67 60.52 5.85 5.13 61.97 5.98 5.90 61.25 3 0 1000.00 -999 ? >LEU^C 110 9.33 10.20 59.85 10.84 11.34 58.76 10.08 10.77 59.31 3 0 1000.00 -999 ? >GLU^C 111 11.78 4.97 59.83 12.20 2.93 59.40 11.99 3.95 59.62 2 0 1000.00 -999 ? >LEU^C 112 15.11 11.04 61.93 13.23 12.04 62.23 14.17 11.54 62.08 3 0 1000.00 -999 ? >GLU^C 113 19.78 6.85 60.86 21.18 5.82 59.66 20.48 6.34 60.26 2 0 1000.00 -999 ? >ALA^C 114 21.56 11.97 62.85 21.00 12.85 63.95 21.28 12.41 63.40 2 0 1000.00 -999 ? >HIS^C 115 25.48 10.02 61.15 24.91 8.03 60.84 25.19 9.03 60.99 3 0 1000.00 -999 ? >ALA^C 116 27.38 14.90 64.15 27.43 15.10 65.65 27.41 15.00 64.90 2 0 1000.00 -999 ? >LEU.C 117 30.33 17.04 61.08 28.82 16.93 59.49 29.57 16.98 60.28 3 0 1000.00 -999 ? >PHE.C 118 36.49 16.65 63.26 39.04 15.60 63.83 37.77 16.13 63.54 3 0 1000.00 -999 ? >ASP.C 119 35.33 15.07 67.80 34.62 13.12 67.46 34.97 14.09 67.63 2 0 1000.00 -999 ? >GLU.C 120 32.29 16.33 73.11 32.27 14.59 74.37 32.28 15.46 73.74 2 0 1000.00 -999 ? >THR.C 121 35.47 19.89 72.23 37.37 19.28 71.42 36.42 19.59 71.83 2 0 1000.00 -999 ? >SER.C 122 33.87 22.41 69.82 35.06 22.18 67.68 34.47 22.29 68.75 2 0 1000.00 -999 ? >LYS.C 123 30.82 24.02 71.32 31.73 24.60 76.90 31.27 24.31 74.11 2 0 1000.00 -999 ? >LYS^C 124 29.41 24.51 67.85 29.45 30.36 65.67 29.43 27.44 66.76 2 0 1000.00 -999 ? >ARG^C 125 30.53 19.40 68.02 30.03 16.44 68.75 30.28 17.92 68.39 2 0 1000.00 -999 ? >ASP^C 126 27.58 20.93 61.21 27.68 23.02 60.90 27.63 21.97 61.06 2 0 1000.00 -999 ? >VAL^C 127 24.64 17.59 62.45 23.63 16.98 64.29 24.14 17.29 63.37 3 0 1000.00 -999 ? >LYS^C 128 23.50 15.76 59.36 22.92 15.62 54.48 23.21 15.69 56.92 2 0 1000.00 -999 ? >VAL^C 129 19.93 14.47 59.67 18.60 15.08 61.31 19.26 14.78 60.49 3 0 1000.00 -999 ? >VAL^C 130 18.11 12.22 57.16 19.65 10.94 56.24 18.88 11.58 56.70 3 0 1000.00 -999 ? >GLY^C 131 14.54 10.95 57.37 14.89 10.84 56.63 14.72 10.90 57.00 1 0 1000.00 -999 ? >HIS^C 132 15.14 6.81 55.13 17.00 6.90 54.18 16.07 6.85 54.66 3 0 1000.00 -999 ? >VAL^C 133 9.39 6.64 55.40 7.47 7.63 55.23 8.43 7.13 55.31 3 0 1000.00 -999 ? >LYS.C 134 9.91 2.96 54.71 4.79 3.80 54.22 7.35 3.38 54.47 2 0 1000.00 -999 ? >GLU.C 135 13.60 0.63 51.34 12.63 -0.81 52.53 13.12 -0.09 51.93 2 0 1000.00 -999 ? >ILE^C 136 10.96 6.76 49.77 9.93 5.59 49.33 10.45 6.17 49.55 3 0 1000.00 -999 ? >LYS^C 137 14.27 9.39 51.65 19.09 9.58 49.55 16.68 9.48 50.60 2 0 1000.00 -999 ? >MET?C 138 11.78 12.13 52.56 8.88 10.78 51.60 10.33 11.45 52.08 2 0 1000.00 -999 ? >PHE^C 139 13.93 15.91 56.65 15.19 17.78 58.30 14.56 16.84 57.47 3 0 1000.00 -999 ? >GLU^C 140 19.78 15.30 53.41 20.85 15.16 51.57 20.32 15.23 52.49 2 0 1000.00 -999 ? >GLY^C 141 19.04 18.58 56.62 19.53 17.97 56.74 19.28 18.28 56.68 1 0 1000.00 -999 ? >THR^C 142 22.01 20.09 58.41 24.04 20.37 57.67 23.02 20.23 58.04 2 0 1000.00 -999 ? >ILE^C 143 20.27 20.73 62.71 18.87 20.76 63.32 19.57 20.75 63.02 3 0 1000.00 -999 ? >GLN^C 144 25.55 25.55 63.67 26.12 27.09 62.29 25.84 26.32 62.98 2 0 1000.00 -999 ? >VAL^C 145 23.89 22.83 67.59 23.19 20.99 68.43 23.54 21.91 68.01 3 0 1000.00 -999 ? >VAL^C 146 25.66 24.93 70.20 26.16 27.03 69.95 25.91 25.98 70.08 3 0 1000.00 -999 ? >SER^C 147 26.23 23.74 73.71 28.10 22.21 73.63 27.17 22.97 73.67 2 0 1000.00 -999 ? >THR.C 148 27.17 25.59 76.83 25.64 27.09 76.79 26.40 26.34 76.81 2 0 1000.00 -999 ? >ASP.C 149 29.86 25.30 80.73 30.88 26.19 79.11 30.37 25.75 79.92 2 0 1000.00 -999 ? >GLU.C 150 25.49 27.93 83.99 26.79 28.87 85.43 26.14 28.40 84.71 2 0 1000.00 -999 ? >HIS.C 151 19.52 26.55 81.12 17.70 26.25 80.13 18.61 26.40 80.62 3 0 1000.00 -999 ? >ILE.C 152 20.79 29.58 76.91 21.37 28.57 76.46 21.08 29.08 76.68 3 0 1000.00 -999 ? >PHE.C 153 16.93 31.02 79.87 15.10 30.46 77.81 16.02 30.74 78.84 3 0 1000.00 -999 ? >LYS.C 154 22.30 31.50 82.81 25.40 31.26 79.73 23.85 31.38 81.27 2 0 1000.00 -999 ? >GLN~D 12 -1.66 36.06 75.80 0.23 36.33 76.76 -0.72 36.20 76.28 2 0 1000.00 -999 ? >LEU~D 13 -4.54 37.09 70.08 -3.19 35.51 69.65 -3.86 36.30 69.87 3 0 1000.00 -999 ? >GLU~D 14 -8.27 40.00 71.49 -10.29 40.67 71.54 -9.28 40.34 71.52 2 0 1000.00 -999 ? >GLU~D 15 -2.32 42.36 75.34 -0.75 41.99 76.77 -1.53 42.18 76.06 2 0 1000.00 -999 ? >TYR~D 16 0.63 40.96 70.40 2.31 40.74 72.63 1.47 40.85 71.51 3 0 1000.00 -999 ? >ALA.D 17 -4.30 42.34 67.11 -4.10 41.31 66.02 -4.20 41.82 66.57 2 0 1000.00 -999 ? >SER~D 18 -7.99 43.00 67.38 -8.96 44.18 65.47 -8.48 43.59 66.43 2 0 1000.00 -999 ? >ALA~D 19 -10.64 40.28 67.29 -11.88 40.22 68.15 -11.26 40.25 67.72 2 0 1000.00 -999 ? >GLU~D 20 -12.27 43.91 62.52 -12.52 46.01 62.46 -12.40 44.96 62.49 2 0 1000.00 -999 ? >ASP~D 21 -7.14 42.38 63.10 -6.61 44.29 62.32 -6.88 43.33 62.71 2 0 1000.00 -999 ? >ILE~D 22 -7.93 37.51 64.86 -7.47 37.07 65.91 -7.70 37.29 65.38 3 0 1000.00 -999 ? >SER~D 23 -11.42 37.13 62.19 -13.09 36.96 63.97 -12.26 37.05 63.08 2 0 1000.00 -999 ? >ARG~D 24 -11.16 42.59 57.55 -13.92 43.74 58.22 -12.54 43.16 57.89 2 0 1000.00 -999 ? >VAL~D 25 -7.88 37.09 58.16 -5.78 37.13 58.71 -6.83 37.11 58.44 3 0 1000.00 -999 ? >ARG~D 26 -8.73 31.32 60.75 -7.01 32.78 62.93 -7.87 32.05 61.84 2 0 1000.00 -999 ? >ALA~D 27 -12.15 34.40 56.47 -13.20 35.51 56.51 -12.67 34.96 56.49 2 0 1000.00 -999 ? >GLU~D 28 -8.59 36.86 53.98 -7.98 38.67 53.08 -8.28 37.76 53.53 2 0 1000.00 -999 ? >LEU~D 29 -6.77 31.81 56.19 -4.75 31.49 56.93 -5.76 31.65 56.56 3 0 1000.00 -999 ? >LEU.D 30 -7.02 29.05 50.91 -8.58 29.98 49.69 -7.80 29.52 50.30 3 0 1000.00 -999 ? >THR.D 31 -3.76 27.40 53.62 -1.78 28.17 54.11 -2.77 27.78 53.86 2 0 1000.00 -999 ? >CYH.D 32 -3.45 24.89 56.52 -0.70 25.29 56.44 -2.08 25.09 56.48 2 0 1000.00 -999 ? >PRO.D 33 -7.58 23.73 55.55 -6.51 24.98 57.09 -7.05 24.35 56.32 3 0 1000.00 -999 ? >GLU.D 34 -7.95 20.65 58.86 -9.88 20.83 59.59 -8.91 20.74 59.23 2 0 1000.00 -999 ? >LEU.D 35 -2.58 24.57 61.07 -0.47 24.68 61.33 -1.53 24.63 61.20 3 0 1000.00 -999 ? >ASN~D 36 -2.76 22.60 66.36 -3.39 22.89 68.35 -3.07 22.74 67.36 2 0 1000.00 -999 ? >THR~D 37 -3.11 27.33 65.97 -4.49 28.95 66.20 -3.80 28.14 66.08 2 0 1000.00 -999 ? >SER~D 38 -1.97 27.02 69.55 -3.35 25.27 70.31 -2.66 26.14 69.93 2 0 1000.00 -999 ? >LEU~D 39 1.16 23.86 68.06 0.81 22.30 69.53 0.98 23.08 68.79 3 0 1000.00 -999 ? >ALA~D 40 1.99 27.28 65.27 1.53 26.64 63.97 1.76 26.96 64.62 2 0 1000.00 -999 ? >GLY~D 41 0.55 30.66 66.11 0.06 30.12 65.71 0.30 30.39 65.91 1 0 1000.00 -999 ? >THR^D 42 -2.23 32.76 64.71 -4.05 33.24 65.74 -3.14 33.00 65.23 2 0 1000.00 -999 ? >ILE^D 43 -2.51 34.29 60.09 -1.16 34.04 59.54 -1.83 34.17 59.81 3 0 1000.00 -999 ? >ILE^D 44 -2.50 39.03 63.50 -1.59 39.37 64.44 -2.04 39.20 63.97 3 0 1000.00 -999 ? >GLU^D 45 -2.17 42.42 58.16 -1.21 44.25 58.63 -1.69 43.33 58.40 2 0 1000.00 -999 ? >ILE^D 46 -3.36 37.64 55.17 -3.90 36.55 54.49 -3.63 37.09 54.83 3 0 1000.00 -999 ? >ASP^D 47 -1.53 41.94 52.22 -2.29 43.46 50.95 -1.91 42.70 51.59 2 0 1000.00 -999 ? >LYS.D 48 -0.72 39.71 48.54 0.04 37.09 43.57 -0.34 38.40 46.06 2 0 1000.00 -999 ? >ASN.D 49 3.57 39.10 48.13 3.64 38.25 46.18 3.60 38.68 47.16 2 0 1000.00 -999 ? >TYR^D 50 2.42 41.32 54.17 2.91 42.47 56.67 2.66 41.90 55.42 3 0 1000.00 -999 ? >ALA^D 51 1.49 37.84 56.17 1.17 36.39 56.01 1.33 37.12 56.09 2 0 1000.00 -999 ? >LYS^D 52 1.96 38.56 59.89 3.29 44.21 62.55 2.63 41.38 61.22 2 0 1000.00 -999 ? >SER^D 53 1.50 36.15 62.79 2.96 34.14 62.85 2.23 35.15 62.82 2 0 1000.00 -999 ? >ILE^D 54 0.89 36.67 67.43 1.60 37.91 67.85 1.25 37.29 67.64 3 0 1000.00 -999 ? >LEU^D 55 4.36 32.13 68.15 4.59 29.97 68.54 4.48 31.05 68.35 3 0 1000.00 -999 ? >ILE^D 56 0.96 33.19 72.82 0.02 33.84 73.47 0.49 33.52 73.14 3 0 1000.00 -999 ? >THR.D 57 4.69 30.48 73.91 6.55 31.53 74.33 5.62 31.01 74.12 2 0 1000.00 -999 ? >THR~D 58 3.02 27.78 76.00 1.44 27.11 74.65 2.23 27.45 75.33 2 0 1000.00 -999 ? >SER~D 59 3.97 25.16 78.52 3.86 24.29 80.71 3.92 24.73 79.61 2 0 1000.00 -999 ? >GLU~D 60 1.55 22.58 74.29 -0.46 21.87 74.22 0.54 22.22 74.26 2 0 1000.00 -999 ? >MET?D 61 6.48 23.75 73.80 4.96 27.29 71.77 5.72 25.52 72.79 2 0 1000.00 -999 ? >VAL~D 62 9.11 23.67 76.56 8.20 23.92 78.59 8.65 23.79 77.58 3 0 1000.00 -999 ? >ALA.D 63 12.31 21.70 76.18 13.50 22.27 75.39 12.91 21.99 75.78 2 0 1000.00 -999 ? >ASP.D 64 14.61 22.09 80.06 14.99 24.15 79.83 14.80 23.12 79.94 2 0 1000.00 -999 ? >ASP.D 65 11.90 21.89 84.54 13.84 21.58 85.29 12.87 21.74 84.92 2 0 1000.00 -999 ? >GLN.D 66 15.85 25.18 83.39 16.19 25.72 85.39 16.02 25.45 84.39 2 0 1000.00 -999 ? >GLY.D 67 11.17 27.59 80.43 11.83 27.23 80.15 11.50 27.41 80.29 1 0 1000.00 -999 ? >LEU.D 68 14.65 26.29 77.48 16.24 26.13 76.06 15.45 26.21 76.77 3 0 1000.00 -999 ? >ILE.D 69 10.56 28.00 73.65 9.19 27.79 73.90 9.88 27.89 73.77 3 0 1000.00 -999 ? >PHE.D 70 11.94 21.76 70.75 13.16 19.76 69.25 12.55 20.76 70.00 3 0 1000.00 -999 ? >ASP~D 71 14.78 25.73 68.14 16.22 26.55 69.55 15.50 26.14 68.85 2 0 1000.00 -999 ? >ALA~D 72 11.11 23.85 66.29 10.90 22.38 66.30 11.00 23.12 66.29 2 0 1000.00 -999 ? >PHE~D 73 7.14 24.50 69.43 6.43 22.00 70.34 6.78 23.25 69.88 3 0 1000.00 -999 ? >ILE~D 74 10.99 29.56 66.60 10.90 29.96 67.30 10.94 29.76 66.95 3 0 1000.00 -999 ? >PHE~D 75 10.98 25.47 61.33 10.99 24.72 58.67 10.98 25.09 60.00 3 0 1000.00 -999 ? >ALA~D 76 6.46 25.98 63.03 5.70 25.25 64.11 6.08 25.61 63.57 2 0 1000.00 -999 ? >ALA~D 77 5.32 29.55 63.36 5.48 30.51 64.53 5.40 30.03 63.94 2 0 1000.00 -999 ? >ALA~D 78 7.61 30.62 60.51 9.10 30.65 60.50 8.36 30.64 60.51 2 0 1000.00 -999 ? >ASN~D 79 6.44 26.23 59.01 5.79 24.75 57.62 6.11 25.49 58.32 2 0 1000.00 -999 ? >TYR~D 80 0.55 29.09 60.39 -2.23 29.54 60.45 -0.84 29.32 60.42 3 0 1000.00 -999 ? >VAL~D 81 3.10 32.46 58.24 4.32 34.10 58.95 3.71 33.28 58.60 3 0 1000.00 -999 ? >ALA~D 82 5.31 31.71 55.23 6.49 30.81 55.20 5.90 31.26 55.22 2 0 1000.00 -999 ? >GLN~D 83 3.02 27.16 53.67 2.44 25.21 54.19 2.73 26.18 53.93 2 0 1000.00 -999 ? >ALA~D 84 0.00 32.33 54.77 -0.26 32.82 56.19 -0.13 32.57 55.48 2 0 1000.00 -999 ? >SER~D 85 1.96 34.87 52.65 4.28 34.26 52.18 3.12 34.56 52.41 2 0 1000.00 -999 ? >ILE~D 86 1.97 31.56 49.12 2.79 31.93 48.04 2.38 31.75 48.58 3 0 1000.00 -999 ? >ASN~D 87 -3.00 33.05 50.89 -4.86 32.69 51.84 -3.93 32.87 51.36 2 0 1000.00 -999 ? >LYS.D 88 -2.80 28.90 48.23 -3.33 30.95 43.65 -3.06 29.93 45.94 2 0 1000.00 -999 ? >GLU.D 89 -7.51 24.94 48.94 -9.28 24.73 47.82 -8.40 24.83 48.38 2 0 1000.00 -999 ? >PHE.D 90 -4.60 22.13 46.99 -7.32 21.50 46.94 -5.96 21.81 46.96 3 0 1000.00 -999 ? >SER^D 91 0.76 24.21 49.17 0.36 25.96 50.81 0.56 25.09 49.99 2 0 1000.00 -999 ? >VAL^D 92 3.64 22.59 50.95 4.39 20.58 50.63 4.02 21.59 50.79 3 0 1000.00 -999 ? >ILE^D 93 7.60 24.41 53.22 7.47 24.68 54.69 7.53 24.55 53.96 3 0 1000.00 -999 ? >ILE^D 94 10.05 22.03 48.70 9.68 22.53 47.51 9.86 22.28 48.10 3 0 1000.00 -999 ? >GLY^D 95 13.10 23.64 51.78 12.45 24.11 51.97 12.78 23.87 51.87 1 0 1000.00 -999 ? >SER^D 96 14.28 26.13 54.37 13.68 24.86 56.39 13.98 25.50 55.38 2 0 1000.00 -999 ? >LYS^D 97 17.34 28.03 55.61 22.81 29.56 52.77 20.08 28.79 54.19 2 0 1000.00 -999 ? >CYH^D 98 16.94 29.48 59.10 14.54 28.25 58.86 15.74 28.86 58.98 2 0 1000.00 -999 ? >PHE^D 99 20.60 32.42 60.27 22.23 32.20 58.02 21.42 32.31 59.15 3 0 1000.00 -999 ? >PHE^D 100 16.53 28.93 65.24 14.92 27.24 63.68 15.73 28.09 64.46 3 0 1000.00 -999 ? >TYR.D 101 19.55 35.81 65.16 19.87 36.40 62.46 19.71 36.11 63.81 3 0 1000.00 -999 ? >ALA.D 102 18.36 33.50 70.56 18.33 34.78 71.38 18.35 34.14 70.97 2 0 1000.00 -999 ? >PRO.D 103 17.66 30.43 73.67 16.60 31.37 71.88 17.13 30.90 72.77 3 0 1000.00 -999 ? >LEU.D 104 11.32 31.88 72.55 11.13 33.18 70.81 11.23 32.53 71.68 3 0 1000.00 -999 ? >LYS.D 105 11.59 31.78 76.99 13.85 33.15 82.83 12.72 32.47 79.91 2 0 1000.00 -999 ? >LEU.D 106 7.94 29.52 79.19 6.05 28.51 79.52 6.99 29.01 79.35 3 0 1000.00 -999 ? >GLY.D 107 5.99 33.71 78.39 6.41 33.59 77.69 6.20 33.65 78.04 1 0 1000.00 -999 ? >ASP.D 108 8.83 35.00 74.75 10.47 35.64 75.84 9.65 35.32 75.30 2 0 1000.00 -999 ? >VAL^D 109 5.33 36.32 72.49 3.40 37.24 72.55 4.36 36.78 72.52 3 0 1000.00 -999 ? >LEU^D 110 7.47 34.77 68.57 9.11 34.61 67.21 8.29 34.69 67.89 3 0 1000.00 -999 ? >GLU^D 111 4.78 40.44 67.57 5.09 42.34 68.56 4.94 41.39 68.07 2 0 1000.00 -999 ? >LEU^D 112 6.41 35.61 62.57 6.87 33.82 63.61 6.64 34.72 63.09 3 0 1000.00 -999 ? >GLU^D 113 6.30 41.31 58.79 7.35 43.14 58.87 6.83 42.23 58.83 2 0 1000.00 -999 ? >ALA^D 114 6.69 37.13 56.07 6.08 35.75 56.00 6.39 36.44 56.04 2 0 1000.00 -999 ? >HIS^D 115 7.91 40.91 53.56 7.33 42.51 54.78 7.62 41.71 54.17 3 0 1000.00 -999 ? >ALA^D 116 7.24 36.49 49.50 5.99 35.74 49.06 6.61 36.12 49.28 2 0 1000.00 -999 ? >LEU.D 117 10.99 36.80 46.33 12.72 37.61 47.37 11.85 37.20 46.85 3 0 1000.00 -999 ? >PHE.D 118 7.25 40.09 41.62 5.81 40.48 39.25 6.53 40.29 40.44 3 0 1000.00 -999 ? >ASP.D 119 7.92 34.61 41.55 8.38 33.11 40.15 8.15 33.86 40.85 2 0 1000.00 -999 ? >GLU.D 120 2.90 38.25 39.41 1.27 37.50 40.54 2.08 37.88 39.98 2 0 1000.00 -999 ? >THR.D 121 4.62 32.78 37.15 5.80 32.48 35.42 5.21 32.63 36.28 2 0 1000.00 -999 ? >SER.D 122 6.17 29.94 39.07 7.96 28.71 40.18 7.06 29.33 39.63 2 0 1000.00 -999 ? >LYS.D 123 4.42 27.79 41.63 0.07 26.25 39.19 2.25 27.02 40.41 2 0 1000.00 -999 ? >LYS^D 124 7.72 27.77 43.54 13.20 28.49 43.91 10.46 28.13 43.72 2 0 1000.00 -999 ? >ARG^D 125 5.89 32.25 44.25 4.57 34.85 45.20 5.23 33.55 44.72 2 0 1000.00 -999 ? >ASP^D 126 12.13 32.45 47.76 13.01 30.99 46.55 12.57 31.72 47.15 2 0 1000.00 -999 ? >VAL^D 127 9.55 33.69 51.45 7.50 33.18 52.07 8.53 33.43 51.76 3 0 1000.00 -999 ? >LYS^D 128 11.60 35.77 53.89 16.23 37.38 51.51 13.91 36.57 52.70 2 0 1000.00 -999 ? >VAL^D 129 10.41 35.35 57.47 9.10 33.68 58.12 9.75 34.52 57.80 3 0 1000.00 -999 ? >VAL^D 130 11.68 37.35 60.43 12.35 39.29 60.81 12.01 38.32 60.62 3 0 1000.00 -999 ? >GLY^D 131 10.69 37.03 64.06 11.35 37.52 63.97 11.02 37.28 64.01 1 0 1000.00 -999 ? >HIS^D 132 11.35 41.51 65.61 12.39 42.31 63.98 11.87 41.91 64.80 3 0 1000.00 -999 ? >VAL^D 133 10.23 39.32 70.70 10.42 37.65 72.12 10.33 38.49 71.41 3 0 1000.00 -999 ? >LYS.D 134 9.49 42.94 71.58 9.32 42.97 77.38 9.41 42.96 74.48 2 0 1000.00 -999 ? >GLU.D 135 13.75 46.38 71.20 13.23 46.04 73.24 13.49 46.21 72.22 2 0 1000.00 -999 ? >ILE^D 136 15.12 41.13 70.73 16.49 41.51 71.23 15.81 41.32 70.98 3 0 1000.00 -999 ? >LYS^D 137 15.27 40.10 66.23 17.60 41.46 60.94 16.43 40.78 63.58 2 0 1000.00 -999 ? >MET?D 138 15.24 36.43 67.35 14.84 37.13 70.81 15.04 36.78 69.08 2 0 1000.00 -999 ? >PHE^D 139 13.25 32.72 63.16 12.77 30.85 61.10 13.01 31.78 62.13 3 0 1000.00 -999 ? >GLU^D 140 16.42 36.88 58.99 17.85 38.44 58.99 17.14 37.66 58.99 2 0 1000.00 -999 ? >GLY^D 141 14.76 32.56 57.59 14.47 33.24 57.33 14.61 32.90 57.46 1 0 1000.00 -999 ? >THR^D 142 13.96 31.81 53.97 15.03 32.71 52.35 14.49 32.26 53.16 2 0 1000.00 -999 ? >ILE^D 143 10.13 29.19 54.29 9.58 28.88 55.33 9.86 29.04 54.81 3 0 1000.00 -999 ? >GLN^D 144 12.82 27.50 49.11 14.08 26.49 47.76 13.45 26.99 48.43 2 0 1000.00 -999 ? >VAL^D 145 6.78 27.15 49.28 5.17 28.15 50.37 5.98 27.65 49.82 3 0 1000.00 -999 ? >VAL^D 146 5.36 25.25 46.30 6.56 23.87 45.14 5.96 24.56 45.72 3 0 1000.00 -999 ? >SER^D 147 1.68 25.07 45.43 1.04 27.22 44.62 1.36 26.14 45.02 2 0 1000.00 -999 ? >THR.D 148 -0.36 22.88 43.14 0.23 20.99 44.08 -0.07 21.94 43.61 2 0 1000.00 -999 ? >ASP.D 149 -4.03 23.00 39.94 -3.11 24.49 38.70 -3.57 23.75 39.32 2 0 1000.00 -999 ? >GLU.D 150 -6.35 18.98 41.42 -6.21 17.89 39.59 -6.28 18.44 40.51 2 0 1000.00 -999 ? >HIS.D 151 -4.45 17.42 48.83 -3.57 17.13 50.70 -4.01 17.27 49.77 3 0 1000.00 -999 ? >ILE.D 152 0.61 17.42 47.38 1.46 17.26 47.60 1.03 17.34 47.49 3 0 1000.00 -999 ? >PHE.D 153 -1.85 13.30 50.08 -0.38 13.65 52.46 -1.11 13.48 51.27 3 0 1000.00 -999 ? >LYS.D 154 -4.23 13.28 44.47 -8.95 16.18 42.47 -6.59 14.73 43.47 2 0 1000.00 -999 ? >LEU.E 13 -7.34 58.86 90.16 -9.30 58.08 90.81 -8.32 58.47 90.48 3 0 1000.00 -999 ? >GLU.E 14 -1.60 61.08 88.34 -2.83 60.61 86.66 -2.21 60.85 87.50 2 0 1000.00 -999 ? >GLU.E 15 -6.04 63.36 93.29 -8.02 63.81 92.59 -7.03 63.59 92.94 2 0 1000.00 -999 ? >TYR.E 16 -3.32 60.42 96.16 -6.05 59.98 96.59 -4.69 60.20 96.38 3 0 1000.00 -999 ? >ALA.E 17 1.65 62.91 93.58 2.49 61.64 93.54 2.07 62.27 93.56 2 0 1000.00 -999 ? >SER.E 18 2.72 64.72 90.42 4.48 66.29 91.07 3.60 65.51 90.74 2 0 1000.00 -999 ? >ALA.E 19 5.50 64.44 87.85 5.81 65.53 86.82 5.65 64.98 87.33 2 0 1000.00 -999 ? >GLU.E 20 8.67 66.89 91.50 8.22 68.69 92.56 8.45 67.79 92.03 2 0 1000.00 -999 ? >ASP.E 21 5.74 60.95 90.54 4.89 59.15 89.76 5.31 60.05 90.15 2 0 1000.00 -999 ? >ILE.E 22 7.22 60.86 85.94 6.50 61.39 85.01 6.86 61.12 85.48 3 0 1000.00 -999 ? >SER.E 23 11.24 60.93 87.61 13.10 62.44 88.06 12.17 61.69 87.84 2 0 1000.00 -999 ? >ARG.E 24 10.15 59.59 94.24 11.74 61.12 96.41 10.94 60.35 95.33 2 0 1000.00 -999 ? >VAL.E 25 10.17 57.10 90.97 8.12 56.58 91.56 9.14 56.84 91.27 3 0 1000.00 -999 ? >ARG.E 26 7.57 53.81 85.24 7.26 54.57 82.26 7.41 54.19 83.75 2 0 1000.00 -999 ? >ALA.E 27 13.80 56.18 86.79 14.26 57.60 86.56 14.03 56.89 86.68 2 0 1000.00 -999 ? >GLU.E 28 16.97 56.63 91.26 17.54 57.74 89.53 17.25 57.19 90.40 2 0 1000.00 -999 ? >LEU.E 29 12.07 51.93 92.21 10.29 51.21 91.26 11.18 51.57 91.73 3 0 1000.00 -999 ? >LEU.E 30 16.59 48.76 90.76 18.23 49.98 90.01 17.41 49.37 90.39 3 0 1000.00 -999 ? >THR.E 31 12.82 46.37 91.96 11.81 46.01 93.78 12.31 46.19 92.87 2 0 1000.00 -999 ? >CYH.E 32 9.90 44.63 90.21 8.79 43.90 92.70 9.34 44.27 91.45 2 0 1000.00 -999 ? >PRO.E 33 12.52 45.09 86.70 10.62 46.03 87.52 11.57 45.56 87.11 3 0 1000.00 -999 ? >GLU.E 34 7.89 43.33 82.94 9.09 44.57 81.71 8.49 43.95 82.32 2 0 1000.00 -999 ? >LEU.E 35 5.35 44.92 89.33 4.32 44.04 91.06 4.83 44.48 90.20 3 0 1000.00 -999 ? >ASN~E 36 0.48 44.54 86.43 -1.10 45.66 85.61 -0.31 45.10 86.02 2 0 1000.00 -999 ? >THR~E 37 1.20 48.70 88.72 2.54 50.14 87.87 1.87 49.42 88.29 2 0 1000.00 -999 ? >SER~E 38 -2.54 48.78 88.15 -2.66 48.05 85.85 -2.60 48.41 87.00 2 0 1000.00 -999 ? >LEU~E 39 -2.77 44.38 89.89 -4.00 43.34 88.44 -3.39 43.86 89.17 3 0 1000.00 -999 ? >ALA~E 40 -0.13 46.48 92.98 1.18 45.75 92.77 0.53 46.12 92.88 2 0 1000.00 -999 ? >GLY~E 41 -0.20 50.27 93.05 0.35 49.89 92.55 0.07 50.08 92.80 1 0 1000.00 -999 ? >THR^E 42 2.29 52.92 92.14 1.60 54.01 90.44 1.95 53.47 91.29 2 0 1000.00 -999 ? >ILE^E 43 6.52 53.12 94.59 7.36 53.11 94.43 6.94 53.11 94.51 3 0 1000.00 -999 ? >ILE^E 44 3.86 58.29 95.10 2.65 58.37 95.73 3.25 58.33 95.41 3 0 1000.00 -999 ? >GLU^E 45 8.33 60.26 98.86 7.16 61.36 100.28 7.75 60.81 99.57 2 0 1000.00 -999 ? >ILE^E 46 11.92 55.83 96.43 12.41 55.09 96.02 12.17 55.46 96.22 3 0 1000.00 -999 ? >ASP^E 47 14.03 58.07 101.02 15.46 59.56 101.39 14.74 58.82 101.20 2 0 1000.00 -999 ? >LYS.E 48 17.00 55.04 101.97 22.44 54.33 102.38 19.72 54.69 102.17 2 0 1000.00 -999 ? >ASN.E 49 15.61 52.64 105.26 17.29 51.39 105.48 16.45 52.01 105.37 2 0 1000.00 -999 ? >TYR^E 50 10.50 56.32 103.45 8.11 57.70 103.31 9.31 57.01 103.38 3 0 1000.00 -999 ? >ALA^E 51 8.99 54.11 100.35 9.12 52.87 99.52 9.06 53.49 99.93 2 0 1000.00 -999 ? >LYS^E 52 5.44 55.39 99.89 3.49 60.43 102.42 4.47 57.91 101.15 2 0 1000.00 -999 ? >SER^E 53 2.79 54.10 97.47 2.54 51.74 98.13 2.67 52.92 97.80 2 0 1000.00 -999 ? >ILE^E 54 -1.14 55.70 95.61 -1.55 56.91 95.41 -1.35 56.31 95.51 3 0 1000.00 -999 ? >LEU^E 55 -3.29 50.46 96.09 -4.01 48.54 95.38 -3.65 49.50 95.73 3 0 1000.00 -999 ? >ILE^E 56 -6.34 53.83 92.29 -6.49 55.03 91.58 -6.41 54.43 91.94 3 0 1000.00 -999 ? >THR.E 57 -8.93 50.15 93.86 -10.01 50.45 95.73 -9.47 50.30 94.80 2 0 1000.00 -999 ? >THR~E 58 -10.44 48.94 90.58 -8.65 48.72 89.35 -9.54 48.83 89.97 2 0 1000.00 -999 ? >SER~E 59 -13.23 46.65 89.44 -13.90 46.40 87.12 -13.57 46.52 88.28 2 0 1000.00 -999 ? >GLU~E 60 -9.54 45.01 86.40 -10.83 44.01 84.99 -10.18 44.51 85.70 2 0 1000.00 -999 ? >MET?E 61 -9.91 43.50 92.34 -7.28 46.59 93.37 -8.60 45.04 92.86 2 0 1000.00 -999 ? >VAL~E 62 -13.43 42.88 93.61 -14.81 43.98 92.40 -14.12 43.43 93.00 3 0 1000.00 -999 ? >ALA.E 63 -14.41 39.74 95.42 -14.08 39.50 96.88 -14.25 39.62 96.15 2 0 1000.00 -999 ? >ASP.E 64 -18.77 40.01 96.33 -18.88 41.65 97.67 -18.83 40.83 97.00 2 0 1000.00 -999 ? >ASP.E 65 -22.09 41.99 92.65 -23.21 40.76 93.95 -22.65 41.37 93.30 2 0 1000.00 -999 ? >GLN.E 66 -22.59 43.22 97.73 -24.55 44.04 97.60 -23.57 43.63 97.67 2 0 1000.00 -999 ? >GLY.E 67 -17.61 46.41 95.78 -17.65 45.78 96.26 -17.63 46.09 96.02 1 0 1000.00 -999 ? >LEU.E 68 -16.22 43.25 99.15 -15.65 42.49 101.09 -15.93 42.87 100.12 3 0 1000.00 -999 ? >ILE.E 69 -10.98 45.56 97.59 -10.79 45.93 96.27 -10.88 45.75 96.93 3 0 1000.00 -999 ? >PHE~E 70 -9.34 38.75 96.88 -8.52 36.15 97.62 -8.93 37.45 97.25 3 0 1000.00 -999 ? >ASP~E 71 -7.89 40.53 101.91 -9.84 40.79 102.76 -8.86 40.66 102.33 2 0 1000.00 -999 ? >ALA~E 72 -4.71 40.00 98.67 -4.70 38.81 97.73 -4.70 39.40 98.20 2 0 1000.00 -999 ? >PHE~E 73 -6.07 42.87 94.58 -6.76 41.21 92.43 -6.41 42.04 93.51 3 0 1000.00 -999 ? >ILE~E 74 -4.63 45.13 101.09 -5.37 45.73 102.12 -5.00 45.43 101.60 3 0 1000.00 -999 ? >PHE~E 75 0.02 40.40 100.84 2.52 39.29 101.21 1.27 39.84 101.02 3 0 1000.00 -999 ? >ALA~E 76 0.05 43.03 96.86 -0.80 42.95 95.63 -0.38 42.99 96.25 2 0 1000.00 -999 ? >ALA~E 77 0.46 46.74 97.39 -0.63 47.73 97.62 -0.08 47.23 97.50 2 0 1000.00 -999 ? >ALA~E 78 2.22 46.15 100.71 1.65 45.54 101.97 1.94 45.84 101.34 2 0 1000.00 -999 ? >ASN~E 79 3.93 42.39 98.24 5.38 41.10 97.35 4.65 41.75 97.79 2 0 1000.00 -999 ? >TYR~E 80 4.96 47.42 94.21 5.89 48.89 92.05 5.43 48.15 93.13 3 0 1000.00 -999 ? >VAL~E 81 6.14 49.10 98.56 5.15 50.51 99.92 5.64 49.80 99.24 3 0 1000.00 -999 ? >ALA~E 82 8.05 46.94 101.03 7.56 45.68 101.64 7.80 46.31 101.33 2 0 1000.00 -999 ? >GLN~E 83 10.17 43.52 97.39 9.91 42.26 95.72 10.04 42.89 96.55 2 0 1000.00 -999 ? >ALA~E 84 10.56 49.48 97.04 9.38 50.34 96.63 9.97 49.91 96.83 2 0 1000.00 -999 ? >SER~E 85 11.83 50.54 100.48 11.48 49.16 102.41 11.66 49.85 101.44 2 0 1000.00 -999 ? >ILE~E 86 15.23 47.06 100.58 15.07 45.79 100.80 15.15 46.42 100.69 3 0 1000.00 -999 ? >ASN~E 87 15.19 50.44 96.02 14.78 50.92 93.99 14.98 50.68 95.01 2 0 1000.00 -999 ? >LYS.E 88 17.56 46.20 95.25 22.48 46.60 96.85 20.02 46.40 96.05 2 0 1000.00 -999 ? >GLU.E 89 18.57 44.97 89.29 20.30 44.69 88.08 19.43 44.83 88.69 2 0 1000.00 -999 ? >PHE.E 90 18.95 40.55 91.06 20.01 41.13 88.57 19.48 40.84 89.81 3 0 1000.00 -999 ? >SER^E 91 15.00 40.76 95.77 14.00 42.89 95.26 14.50 41.82 95.51 2 0 1000.00 -999 ? >VAL^E 92 12.26 38.46 96.91 12.36 36.39 96.49 12.31 37.43 96.70 3 0 1000.00 -999 ? >ILE^E 93 8.68 39.03 100.27 7.46 39.60 100.06 8.07 39.31 100.16 3 0 1000.00 -999 ? >ILE^E 94 11.82 34.88 102.61 12.91 35.01 103.16 12.36 34.94 102.88 3 0 1000.00 -999 ? >GLY^E 95 7.84 35.83 104.98 7.92 36.54 104.56 7.88 36.19 104.77 1 0 1000.00 -999 ? >SER^E 96 5.13 38.13 106.21 3.57 37.53 104.45 4.35 37.83 105.33 2 0 1000.00 -999 ? >LYS^E 97 2.87 38.88 109.18 -0.05 38.64 113.03 1.41 38.76 111.10 2 0 1000.00 -999 ? >CYH^E 98 -0.14 41.07 108.40 0.95 41.02 105.87 0.40 41.05 107.14 2 0 1000.00 -999 ? >PHE^E 99 -2.32 42.55 112.45 -0.92 41.12 114.43 -1.62 41.83 113.44 3 0 1000.00 -999 ? >PHE^E 100 -5.57 41.94 105.99 -3.58 40.60 104.54 -4.57 41.27 105.26 3 0 1000.00 -999 ? >TYR.E 101 -6.47 46.85 111.69 -4.19 46.30 113.17 -5.33 46.57 112.43 3 0 1000.00 -999 ? >ALA.E 102 -10.94 46.55 107.66 -11.40 47.97 107.95 -11.17 47.26 107.81 2 0 1000.00 -999 ? >PRO.E 103 -13.82 45.09 104.65 -11.68 45.73 104.77 -12.75 45.41 104.71 3 0 1000.00 -999 ? >LEU.E 104 -10.23 48.33 100.26 -8.34 49.30 100.30 -9.28 48.82 100.28 3 0 1000.00 -999 ? >LYS.E 105 -14.40 49.21 99.20 -19.61 51.41 101.01 -17.00 50.31 100.11 2 0 1000.00 -999 ? >LEU.E 106 -15.18 49.24 94.44 -14.97 49.63 92.33 -15.07 49.43 93.38 3 0 1000.00 -999 ? >GLY.E 107 -13.48 53.56 94.99 -12.99 53.12 95.50 -13.23 53.34 95.24 1 0 1000.00 -999 ? >ASP.E 108 -11.13 52.71 99.14 -12.78 52.82 100.46 -11.95 52.76 99.80 2 0 1000.00 -999 ? >VAL^E 109 -7.59 54.73 97.53 -7.04 56.75 96.89 -7.31 55.74 97.21 3 0 1000.00 -999 ? >LEU^E 110 -4.91 51.58 99.87 -4.17 50.23 101.43 -4.54 50.90 100.65 3 0 1000.00 -999 ? >GLU^E 111 -2.98 57.28 100.54 -3.60 59.09 101.45 -3.29 58.18 101.00 2 0 1000.00 -999 ? >LEU^E 112 1.24 51.51 101.28 0.15 49.80 100.59 0.70 50.66 100.94 3 0 1000.00 -999 ? >GLU^E 113 4.87 55.95 104.72 4.30 57.53 106.00 4.58 56.74 105.36 2 0 1000.00 -999 ? >ALA^E 114 7.08 51.31 104.31 7.37 50.44 103.12 7.22 50.88 103.71 2 0 1000.00 -999 ? >HIS^E 115 9.13 53.63 107.98 8.41 55.59 107.88 8.77 54.61 107.93 3 0 1000.00 -999 ? >ALA^E 116 12.88 49.11 106.63 13.80 48.98 105.46 13.34 49.04 106.04 2 0 1000.00 -999 ? >LEU.E 117 14.20 47.22 110.99 12.19 46.80 111.80 13.20 47.01 111.39 3 0 1000.00 -999 ? >PHE.E 118 19.92 50.77 111.54 22.61 50.69 112.34 21.27 50.73 111.94 3 0 1000.00 -999 ? >ASP.E 119 19.88 45.96 108.68 21.27 44.41 108.36 20.58 45.19 108.52 2 0 1000.00 -999 ? >GLU.E 120 23.49 49.89 106.87 23.90 51.80 106.05 23.70 50.85 106.46 2 0 1000.00 -999 ? >THR.E 121 24.93 44.22 107.27 25.94 44.29 109.18 25.43 44.26 108.23 2 0 1000.00 -999 ? >SER.E 122 22.20 41.79 106.22 20.41 40.33 107.01 21.31 41.06 106.61 2 0 1000.00 -999 ? >LYS.E 123 20.70 40.69 102.90 23.97 38.16 99.23 22.34 39.43 101.07 2 0 1000.00 -999 ? >LYS^E 124 17.66 39.83 105.00 17.82 35.49 106.88 17.74 37.66 105.94 2 0 1000.00 -999 ? >ARG^E 125 18.18 45.15 104.52 17.73 48.11 105.07 17.95 46.63 104.79 2 0 1000.00 -999 ? >ASP^E 126 12.27 43.29 109.52 12.39 41.27 110.14 12.33 42.28 109.83 2 0 1000.00 -999 ? >VAL^E 127 9.99 46.10 106.64 10.17 46.63 104.51 10.08 46.37 105.57 3 0 1000.00 -999 ? >LYS^E 128 7.09 47.69 108.51 7.60 44.89 113.06 7.35 46.29 110.79 2 0 1000.00 -999 ? >VAL^E 129 4.20 48.59 106.22 3.92 47.98 104.18 4.06 48.29 105.20 3 0 1000.00 -999 ? >VAL^E 130 1.12 50.54 107.23 1.19 52.37 108.40 1.16 51.46 107.82 3 0 1000.00 -999 ? >GLY^E 131 -1.89 51.40 105.04 -2.03 51.55 105.85 -1.96 51.47 105.44 1 0 1000.00 -999 ? >HIS^E 132 -3.18 55.43 107.10 -2.27 55.41 108.99 -2.73 55.42 108.05 3 0 1000.00 -999 ? >VAL^E 133 -7.70 55.06 103.64 -9.17 53.85 102.64 -8.43 54.45 103.14 3 0 1000.00 -999 ? >LYS.E 134 -8.03 58.76 104.28 -13.43 61.16 103.65 -10.73 59.96 103.97 2 0 1000.00 -999 ? >GLU.E 135 -7.63 61.47 108.02 -5.82 61.68 106.93 -6.73 61.58 107.48 2 0 1000.00 -999 ? >ILE^E 136 -9.57 55.07 108.74 -10.91 54.89 109.33 -10.24 54.98 109.03 3 0 1000.00 -999 ? >LYS^E 137 -5.42 52.84 109.44 -1.06 51.22 113.57 -3.24 52.03 111.50 2 0 1000.00 -999 ? >MET?E 138 -6.70 49.65 107.94 -9.96 51.18 105.93 -8.33 50.41 106.93 2 0 1000.00 -999 ? >PHE^E 139 -2.45 46.28 105.52 -0.66 44.24 104.87 -1.56 45.26 105.19 3 0 1000.00 -999 ? >GLU^E 140 0.50 48.02 111.34 0.41 48.03 113.46 0.46 48.03 112.40 2 0 1000.00 -999 ? >GLY^E 141 2.27 44.32 108.40 2.66 45.00 108.57 2.47 44.66 108.49 1 0 1000.00 -999 ? >THR^E 142 5.89 43.25 108.62 7.11 43.25 110.40 6.50 43.25 109.51 2 0 1000.00 -999 ? >ILE^E 143 6.99 42.45 104.14 6.20 42.53 102.97 6.59 42.49 103.56 3 0 1000.00 -999 ? >GLN^E 144 10.51 38.80 107.42 11.34 37.33 108.76 10.93 38.06 108.09 2 0 1000.00 -999 ? >VAL^E 145 12.76 40.92 102.10 12.52 42.61 100.81 12.64 41.76 101.45 3 0 1000.00 -999 ? >VAL^E 146 15.96 39.16 101.03 15.78 36.95 101.14 15.87 38.05 101.09 3 0 1000.00 -999 ? >SER^E 147 18.16 40.42 98.23 19.62 42.11 99.12 18.89 41.27 98.67 2 0 1000.00 -999 ? >THR.E 148 21.06 38.81 96.37 19.81 37.12 95.84 20.43 37.97 96.10 2 0 1000.00 -999 ? >ASP.E 149 25.42 39.76 94.49 25.89 40.31 96.45 25.65 40.03 95.47 2 0 1000.00 -999 ? >GLU.E 150 24.88 36.85 91.06 25.76 34.90 90.91 25.32 35.87 90.98 2 0 1000.00 -999 ? >HIS.E 151 17.08 37.03 88.55 15.00 36.85 88.32 16.04 36.94 88.43 3 0 1000.00 -999 ? >ILE.E 152 16.38 34.38 93.18 16.17 33.78 93.68 16.27 34.08 93.43 3 0 1000.00 -999 ? >PHE.E 153 14.86 32.26 88.48 12.14 32.44 89.17 13.50 32.35 88.83 3 0 1000.00 -999 ? >LYS.E 154 21.01 31.75 88.72 20.79 36.40 84.44 20.90 34.07 86.58 2 0 1000.00 -999 ? >LEU.F 13 -5.94 23.02 80.68 -6.55 24.27 78.99 -6.24 23.64 79.83 3 0 1000.00 -999 ? >GLU.F 14 -7.77 20.04 86.50 -9.50 18.77 86.44 -8.64 19.40 86.47 2 0 1000.00 -999 ? >GLU.F 15 -2.73 18.69 83.57 -1.51 18.63 81.82 -2.12 18.66 82.70 2 0 1000.00 -999 ? >TYR.F 16 -3.72 19.56 88.46 -1.32 20.59 87.53 -2.52 20.08 88.00 3 0 1000.00 -999 ? >GLU.F 20 -18.75 16.78 85.36 -19.38 14.93 84.54 -19.07 15.86 84.95 2 0 1000.00 -999 ? >ASP~F 21 -15.61 17.13 90.06 -13.68 16.85 89.31 -14.64 16.99 89.69 2 0 1000.00 -999 ? >ILE~F 22 -13.76 22.16 87.85 -12.64 22.85 87.32 -13.20 22.51 87.59 3 0 1000.00 -999 ? >SER~F 23 -17.87 23.10 87.57 -17.57 24.25 85.47 -17.72 23.67 86.52 2 0 1000.00 -999 ? >ARG~F 24 -19.33 19.10 93.58 -21.73 17.25 92.54 -20.53 18.17 93.06 2 0 1000.00 -999 ? >VAL~F 25 -17.41 23.54 93.07 -15.30 23.34 92.47 -16.36 23.44 92.77 3 0 1000.00 -999 ? >ARG~F 26 -18.26 29.61 89.53 -15.90 31.47 90.28 -17.08 30.54 89.90 2 0 1000.00 -999 ? >ALA.F 27 -22.01 26.18 92.31 -23.00 25.50 91.38 -22.51 25.84 91.84 2 0 1000.00 -999 ? >GLU.F 28 -21.01 23.09 97.44 -20.41 21.01 97.50 -20.71 22.05 97.47 2 0 1000.00 -999 ? >LEU.F 29 -17.11 27.95 96.59 -16.44 28.80 94.70 -16.78 28.37 95.64 3 0 1000.00 -999 ? >LEU.F 30 -20.96 30.87 99.70 -22.53 29.50 100.32 -21.75 30.19 100.01 3 0 1000.00 -999 ? >THR.F 31 -17.15 32.97 98.96 -15.57 32.57 100.43 -16.36 32.77 99.69 2 0 1000.00 -999 ? >CYH.F 32 -15.72 35.44 96.49 -13.47 35.25 98.13 -14.60 35.34 97.31 2 0 1000.00 -999 ? >PRO.F 33 -19.84 36.01 95.34 -18.00 35.04 94.42 -18.92 35.52 94.88 3 0 1000.00 -999 ? >GLU.F 34 -18.96 38.97 91.29 -19.61 38.01 89.48 -19.28 38.49 90.38 2 0 1000.00 -999 ? >LEU.F 35 -12.53 35.94 93.18 -10.56 36.37 94.00 -11.54 36.16 93.59 3 0 1000.00 -999 ? >ASN~F 36 -10.14 38.05 88.48 -9.11 37.56 86.70 -9.62 37.81 87.59 2 0 1000.00 -999 ? >THR~F 37 -9.92 33.23 89.02 -11.65 32.00 88.55 -10.79 32.62 88.79 2 0 1000.00 -999 ? >SER~F 38 -7.17 33.85 86.50 -7.29 35.85 85.21 -7.23 34.85 85.85 2 0 1000.00 -999 ? >LEU~F 39 -5.48 37.34 89.35 -5.07 39.11 88.17 -5.27 38.23 88.76 3 0 1000.00 -999 ? >ALA~F 40 -6.18 33.93 92.27 -7.32 34.48 93.08 -6.75 34.20 92.68 2 0 1000.00 -999 ? >GLY~F 41 -6.49 30.40 90.94 -7.19 30.87 91.00 -6.84 30.64 90.97 1 0 1000.00 -999 ? >THR^F 42 -9.34 27.96 90.68 -9.93 27.61 88.61 -9.64 27.78 89.65 2 0 1000.00 -999 ? >ILE^F 43 -12.03 26.36 94.40 -11.40 26.74 95.69 -11.71 26.55 95.05 3 0 1000.00 -999 ? >ILE^F 44 -9.64 21.68 91.80 -8.32 21.51 91.52 -8.98 21.60 91.66 3 0 1000.00 -999 ? >GLU^F 45 -11.56 18.20 96.79 -10.26 16.49 96.97 -10.91 17.35 96.88 2 0 1000.00 -999 ? >ILE^F 46 -15.05 22.65 98.23 -16.36 23.39 98.64 -15.70 23.02 98.44 3 0 1000.00 -999 ? >ASP^F 47 -14.64 18.66 102.07 -15.82 16.93 102.21 -15.23 17.79 102.14 2 0 1000.00 -999 ? >LYS.F 48 -16.15 20.83 105.45 -20.30 21.39 108.91 -18.22 21.11 107.18 2 0 1000.00 -999 ? >ASN.F 49 -12.89 21.93 108.05 -14.08 22.69 109.64 -13.49 22.31 108.85 2 0 1000.00 -999 ? >TYR^F 50 -10.28 19.80 102.45 -8.54 18.85 100.50 -9.41 19.33 101.47 3 0 1000.00 -999 ? >ALA^F 51 -10.37 23.12 100.10 -10.89 24.55 99.97 -10.63 23.83 100.04 2 0 1000.00 -999 ? >LYS^F 52 -7.83 22.53 97.35 -5.37 16.95 95.51 -6.60 19.74 96.43 2 0 1000.00 -999 ? >SER^F 53 -6.91 24.87 94.51 -5.99 27.02 94.98 -6.45 25.95 94.74 2 0 1000.00 -999 ? >ILE^F 54 -4.41 24.25 90.62 -4.60 24.11 89.79 -4.50 24.18 90.21 3 0 1000.00 -999 ? >LEU^F 55 -2.19 29.51 91.37 -2.10 31.72 91.18 -2.15 30.61 91.27 3 0 1000.00 -999 ? >ILE^F 56 -2.26 28.14 85.63 -2.47 27.20 84.47 -2.37 27.67 85.05 3 0 1000.00 -999 ? >THR.F 57 1.13 31.27 86.74 2.98 30.57 87.64 2.06 30.92 87.19 2 0 1000.00 -999 ? >THR~F 58 0.66 33.72 83.86 -1.50 34.16 84.06 -0.42 33.94 83.96 2 0 1000.00 -999 ? >SER~F 59 2.56 36.56 82.23 1.26 36.57 80.25 1.91 36.57 81.24 2 0 1000.00 -999 ? >GLU~F 60 -1.97 40.28 84.14 -4.02 40.36 83.49 -2.99 40.32 83.82 2 0 1000.00 -999 ? >MET?F 61 1.84 38.05 87.43 -0.22 34.44 88.50 0.81 36.24 87.96 2 0 1000.00 -999 ? >VAL~F 62 5.51 38.58 86.56 5.83 38.28 84.40 5.67 38.43 85.48 3 0 1000.00 -999 ? >ALA.F 63 7.67 41.04 88.49 8.19 40.83 89.89 7.93 40.94 89.19 2 0 1000.00 -999 ? >ASP.F 64 11.31 39.57 86.45 12.68 40.08 87.89 12.00 39.82 87.17 2 0 1000.00 -999 ? >ASP.F 65 12.04 40.87 81.32 14.00 41.50 81.83 13.02 41.18 81.58 2 0 1000.00 -999 ? >GLN.F 66 15.30 37.91 84.30 15.99 37.99 82.27 15.64 37.95 83.29 2 0 1000.00 -999 ? >GLY.F 67 9.78 35.06 84.63 10.13 35.47 85.20 9.95 35.26 84.91 1 0 1000.00 -999 ? >LEU.F 68 10.84 36.61 89.04 11.51 36.50 91.05 11.17 36.56 90.04 3 0 1000.00 -999 ? >ILE.F 69 5.50 34.41 89.91 4.51 34.50 88.89 5.00 34.46 89.40 3 0 1000.00 -999 ? >PHE.F 70 4.48 40.80 92.89 4.33 42.82 94.80 4.40 41.81 93.85 3 0 1000.00 -999 ? >ASP~F 71 5.79 36.97 96.81 7.85 36.45 96.44 6.82 36.71 96.62 2 0 1000.00 -999 ? >ALA~F 72 1.56 38.40 96.32 1.21 39.85 96.21 1.39 39.13 96.26 2 0 1000.00 -999 ? >PHE~F 73 0.04 37.34 91.50 -0.47 39.73 90.22 -0.22 38.54 90.86 3 0 1000.00 -999 ? >ILE~F 74 2.05 32.37 95.97 3.40 32.36 96.64 2.72 32.36 96.31 3 0 1000.00 -999 ? >PHE~F 75 -1.06 36.67 100.50 -2.65 37.22 102.74 -1.85 36.94 101.62 3 0 1000.00 -999 ? >ALA~F 76 -3.73 35.73 96.54 -3.71 36.34 95.13 -3.72 36.03 95.83 2 0 1000.00 -999 ? >ALA~F 77 -4.15 32.02 95.82 -3.17 31.16 95.09 -3.66 31.59 95.46 2 0 1000.00 -999 ? >ALA~F 78 -3.74 31.18 99.52 -2.51 31.42 100.37 -3.13 31.30 99.95 2 0 1000.00 -999 ? >ASN~F 79 -6.03 35.30 99.99 -7.42 36.66 100.79 -6.72 35.98 100.39 2 0 1000.00 -999 ? >TYR~F 80 -9.95 32.06 95.85 -12.21 31.34 94.45 -11.08 31.70 95.15 3 0 1000.00 -999 ? >VAL~F 81 -8.36 28.75 99.05 -6.71 27.31 99.25 -7.53 28.03 99.15 3 0 1000.00 -999 ? >ALA~F 82 -8.40 29.65 102.73 -7.55 30.70 103.39 -7.97 30.17 103.06 2 0 1000.00 -999 ? >GLN~F 83 -11.38 33.84 102.34 -12.22 35.69 101.73 -11.80 34.76 102.03 2 0 1000.00 -999 ? >ALA~F 84 -13.02 28.40 100.27 -12.44 27.86 98.98 -12.73 28.13 99.62 2 0 1000.00 -999 ? >SER~F 85 -12.17 26.10 103.19 -10.65 27.01 104.91 -11.41 26.55 104.05 2 0 1000.00 -999 ? >ILE~F 86 -14.44 29.29 105.94 -14.35 29.62 107.52 -14.40 29.45 106.73 3 0 1000.00 -999 ? >ASN~F 87 -17.61 27.36 101.83 -18.62 27.62 100.02 -18.12 27.49 100.92 2 0 1000.00 -999 ? >LYS.F 88 -19.32 31.36 104.07 -22.41 29.25 107.90 -20.86 30.31 105.98 2 0 1000.00 -999 ? >GLU.F 89 -23.20 35.29 101.24 -24.79 35.12 99.87 -23.99 35.21 100.55 2 0 1000.00 -999 ? >PHE.F 90 -22.26 37.89 103.79 -24.69 38.17 102.43 -23.47 38.03 103.11 3 0 1000.00 -999 ? >SER^F 91 -16.35 36.55 105.02 -15.52 34.94 103.48 -15.93 35.74 104.25 2 0 1000.00 -999 ? >VAL^F 92 -13.11 38.46 105.00 -12.78 40.46 105.83 -12.95 39.46 105.42 3 0 1000.00 -999 ? >ILE^F 93 -8.46 37.18 105.36 -7.62 37.03 104.30 -8.04 37.11 104.83 3 0 1000.00 -999 ? >ILE^F 94 -9.16 40.02 110.34 -9.89 39.73 111.30 -9.53 39.88 110.82 3 0 1000.00 -999 ? >GLY^F 95 -4.75 38.50 109.52 -5.13 37.97 109.01 -4.94 38.24 109.26 1 0 1000.00 -999 ? >SER^F 96 -2.07 36.22 108.14 -1.67 37.43 106.11 -1.87 36.83 107.13 2 0 1000.00 -999 ? >LYS^F 97 1.36 34.74 108.80 5.75 34.76 110.78 3.55 34.75 109.79 2 0 1000.00 -999 ? >CYH^F 98 3.12 33.37 105.69 0.95 34.47 104.35 2.04 33.92 105.02 2 0 1000.00 -999 ? >PHE^F 99 6.98 30.91 107.04 6.94 31.31 109.81 6.96 31.11 108.42 3 0 1000.00 -999 ? >PHE^F 100 6.02 33.90 100.45 3.72 35.40 100.84 4.87 34.65 100.65 3 0 1000.00 -999 ? >TYR.F 101 9.39 27.61 102.55 8.34 27.25 105.12 8.86 27.43 103.83 3 0 1000.00 -999 ? >ALA.F 102 10.97 29.82 97.14 11.35 28.49 96.53 11.16 29.15 96.83 2 0 1000.00 -999 ? >PRO.F 103 11.86 32.75 94.00 10.06 31.73 94.89 10.96 32.24 94.45 3 0 1000.00 -999 ? >LEU.F 104 5.99 30.88 91.48 4.42 29.59 92.33 5.20 30.24 91.91 3 0 1000.00 -999 ? >LYS.F 105 8.72 30.84 87.98 9.70 27.46 84.21 9.21 29.15 86.10 2 0 1000.00 -999 ? >LEU.F 106 6.58 32.74 84.07 5.07 33.42 82.69 5.83 33.08 83.38 3 0 1000.00 -999 ? >GLY.F 107 5.10 28.28 83.78 5.02 28.44 84.58 5.06 28.36 84.18 1 0 1000.00 -999 ? >ASP.F 108 5.56 27.30 88.50 7.62 26.82 88.63 6.59 27.06 88.56 2 0 1000.00 -999 ? >VAL^F 109 1.56 25.53 88.53 0.49 23.75 87.80 1.03 24.64 88.16 3 0 1000.00 -999 ? >LEU^F 110 0.95 27.34 92.89 1.41 27.95 94.89 1.18 27.64 93.89 3 0 1000.00 -999 ? >GLU^F 111 -0.24 21.46 92.55 0.35 19.39 92.52 0.06 20.43 92.53 2 0 1000.00 -999 ? >LEU^F 112 -3.07 26.07 97.38 -2.00 27.93 97.19 -2.54 27.00 97.28 3 0 1000.00 -999 ? >GLU^F 113 -4.72 20.34 100.77 -3.75 18.48 100.69 -4.23 19.41 100.73 2 0 1000.00 -999 ? >ALA^F 114 -6.24 24.49 103.00 -7.10 25.65 102.54 -6.67 25.07 102.77 2 0 1000.00 -999 ? >HIS^F 115 -6.20 20.75 105.97 -5.49 19.32 104.59 -5.85 20.03 105.28 3 0 1000.00 -999 ? >ALA^F 116 -9.46 24.98 108.80 -10.84 25.51 108.46 -10.15 25.25 108.63 2 0 1000.00 -999 ? >LEU.F 117 -8.06 25.16 113.51 -5.93 25.40 113.90 -6.99 25.28 113.71 3 0 1000.00 -999 ? >PHE.F 118 -13.45 20.63 114.35 -16.01 19.54 114.76 -14.73 20.08 114.56 3 0 1000.00 -999 ? >ASP.F 119 -13.69 26.67 115.69 -14.73 27.60 117.32 -14.21 27.14 116.51 2 0 1000.00 -999 ? >GLU.F 120 -19.73 22.98 114.22 -18.69 22.75 112.27 -19.21 22.87 113.24 2 0 1000.00 -999 ? >THR.F 121 -19.08 27.75 117.12 -19.43 27.86 119.25 -19.25 27.80 118.18 2 0 1000.00 -999 ? >SER.F 122 -16.74 30.57 116.26 -14.65 31.78 116.68 -15.70 31.18 116.47 2 0 1000.00 -999 ? >LYS.F 123 -17.01 33.11 113.44 -22.65 35.50 113.48 -19.83 34.31 113.46 2 0 1000.00 -999 ? >LYS^F 124 -13.24 33.65 113.66 -12.30 38.65 116.17 -12.77 36.15 114.91 2 0 1000.00 -999 ? >ARG^F 125 -14.59 28.73 111.68 -14.40 25.97 110.39 -14.50 27.35 111.03 2 0 1000.00 -999 ? >ASP^F 126 -6.81 29.29 112.76 -6.37 30.81 114.13 -6.59 30.05 113.45 2 0 1000.00 -999 ? >VAL^F 127 -6.75 28.14 108.30 -8.11 28.26 106.58 -7.43 28.20 107.44 3 0 1000.00 -999 ? >LYS^F 128 -3.49 26.38 107.49 -0.44 23.00 111.53 -1.96 24.69 109.51 2 0 1000.00 -999 ? >VAL^F 129 -2.54 26.64 103.85 -3.50 27.96 102.44 -3.02 27.30 103.14 3 0 1000.00 -999 ? >VAL^F 130 0.34 24.90 102.12 0.71 22.82 102.30 0.52 23.86 102.21 3 0 1000.00 -999 ? >GLY^F 131 1.53 25.25 98.51 2.07 24.83 98.98 1.80 25.04 98.75 1 0 1000.00 -999 ? >HIS^F 132 3.39 20.78 97.69 3.41 19.96 99.63 3.40 20.37 98.66 3 0 1000.00 -999 ? >VAL^F 133 5.04 23.08 92.87 5.86 24.80 91.87 5.45 23.94 92.37 3 0 1000.00 -999 ? >LYS.F 134 5.20 19.46 91.84 6.39 18.48 86.60 5.80 18.97 89.22 2 0 1000.00 -999 ? >GLU.F 135 8.81 16.37 94.42 9.28 17.56 92.69 9.05 16.97 93.55 2 0 1000.00 -999 ? >ILE^F 136 9.48 21.55 95.71 10.90 21.89 95.47 10.19 21.72 95.59 3 0 1000.00 -999 ? >LYS^F 137 6.72 22.68 99.35 5.22 22.16 105.57 5.97 22.42 102.46 2 0 1000.00 -999 ? >MET?F 138 7.19 26.33 98.46 5.07 26.95 96.74 6.13 26.64 97.60 2 0 1000.00 -999 ? >PHE^F 139 2.63 29.65 100.55 0.85 31.17 102.06 1.74 30.41 101.30 3 0 1000.00 -999 ? >GLU^F 140 3.60 25.95 105.88 5.09 24.76 106.82 4.35 25.36 106.35 2 0 1000.00 -999 ? >GLY^F 141 0.79 30.05 105.89 0.47 29.33 105.99 0.63 29.69 105.94 1 0 1000.00 -999 ? >THR^F 142 -1.91 30.58 108.49 -1.86 29.91 110.56 -1.89 30.25 109.52 2 0 1000.00 -999 ? >ILE^F 143 -5.22 32.79 106.00 -5.27 33.25 104.74 -5.25 33.02 105.37 3 0 1000.00 -999 ? >GLN^F 144 -5.93 34.74 111.67 -5.65 36.06 113.30 -5.79 35.40 112.48 2 0 1000.00 -999 ? >VAL^F 145 -10.96 34.17 108.28 -11.62 32.95 106.58 -11.29 33.56 107.43 3 0 1000.00 -999 ? >VAL^F 146 -13.92 35.86 109.96 -13.94 37.89 110.74 -13.93 36.87 110.35 3 0 1000.00 -999 ? >SER^F 147 -17.49 35.69 108.82 -18.26 33.54 109.57 -17.88 34.62 109.20 2 0 1000.00 -999 ? >THR.F 148 -20.46 37.87 109.30 -20.36 39.90 108.49 -20.41 38.89 108.89 2 0 1000.00 -999 ? >ASP.F 149 -25.18 37.64 110.52 -25.26 36.22 112.08 -25.22 36.93 111.30 2 0 1000.00 -999 ? >GLU.F 150 -27.02 40.31 107.69 -28.46 41.73 108.35 -27.74 41.02 108.02 2 0 1000.00 -999 ? >HIS.F 151 -21.54 42.47 101.98 -19.86 43.23 101.00 -20.70 42.85 101.49 3 0 1000.00 -999 ? >ILE.F 152 -18.33 43.34 106.10 -16.95 43.68 105.89 -17.64 43.51 106.00 3 0 1000.00 -999 ? >PHE.F 153 -19.27 47.19 102.46 -16.61 46.92 101.58 -17.94 47.06 102.02 3 0 1000.00 -999 ? >LYS.F 154 -24.10 47.05 106.46 -26.32 46.36 102.71 -25.21 46.71 104.58 2 0 1000.00 -999 ? >VAL.G 25 19.76 83.95 68.29 21.08 85.12 66.97 20.42 84.53 67.63 3 0 1000.00 -999 ? >ARG.G 26 24.69 80.28 66.39 23.75 77.49 65.46 24.22 78.88 65.92 2 0 1000.00 -999 ? >ALA.G 27 22.61 81.69 72.32 22.99 83.11 72.74 22.80 82.40 72.53 2 0 1000.00 -999 ? >GLU.G 28 17.71 82.72 74.33 17.68 82.17 76.38 17.69 82.45 75.36 2 0 1000.00 -999 ? >LEU.G 29 19.26 77.60 70.11 19.66 76.21 68.56 19.46 76.90 69.33 3 0 1000.00 -999 ? >LEU.G 30 19.23 74.17 74.77 19.42 75.50 76.54 19.33 74.84 75.66 3 0 1000.00 -999 ? >THR.G 31 18.57 71.55 71.08 16.56 70.76 71.03 17.57 71.15 71.06 2 0 1000.00 -999 ? >CYH.G 32 20.81 69.93 68.48 18.69 68.78 67.07 19.75 69.35 67.78 2 0 1000.00 -999 ? >PRO.G 33 23.94 70.71 71.39 23.26 71.59 69.43 23.60 71.15 70.41 3 0 1000.00 -999 ? >GLU.G 34 28.45 69.59 67.53 28.89 71.08 68.97 28.67 70.34 68.25 2 0 1000.00 -999 ? >LEU.G 35 22.17 70.18 64.14 20.71 69.30 62.87 21.44 69.74 63.50 3 0 1000.00 -999 ? >ASN~G 36 25.56 69.70 59.55 26.74 70.67 58.07 26.15 70.19 58.81 2 0 1000.00 -999 ? >THR~G 37 22.88 73.75 59.86 23.37 75.81 60.24 23.13 74.78 60.05 2 0 1000.00 -999 ? >SER~G 38 23.78 73.66 56.14 26.01 74.61 56.24 24.89 74.13 56.19 2 0 1000.00 -999 ? >LEU~G 39 22.55 69.14 56.12 24.20 68.14 55.14 23.37 68.64 55.63 3 0 1000.00 -999 ? >ALA~G 40 18.91 70.98 58.17 19.00 70.34 59.54 18.95 70.66 58.85 2 0 1000.00 -999 ? >GLY~G 41 18.50 74.74 57.89 18.99 74.42 58.49 18.75 74.58 58.19 1 0 1000.00 -999 ? >THR^G 42 18.91 77.52 60.40 20.09 79.14 59.50 19.50 78.33 59.95 2 0 1000.00 -999 ? >ILE^G 43 16.36 77.91 64.46 15.92 77.01 65.34 16.14 77.46 64.90 3 0 1000.00 -999 ? >ILE^G 44 15.35 82.69 61.28 14.90 82.62 59.95 15.12 82.65 60.61 3 0 1000.00 -999 ? >GLU^G 45 10.64 83.38 64.82 9.53 85.10 64.05 10.09 84.24 64.43 2 0 1000.00 -999 ? >ILE^G 46 13.13 80.13 69.37 14.52 79.91 69.73 13.83 80.02 69.55 3 0 1000.00 -999 ? >ASP^G 47 8.37 82.32 70.88 7.91 84.01 72.09 8.14 83.16 71.48 2 0 1000.00 -999 ? >LYS.G 48 7.50 79.25 73.87 4.32 80.76 78.54 5.91 80.01 76.21 2 0 1000.00 -999 ? >ASN.G 49 4.57 76.40 72.33 4.43 76.07 74.43 4.50 76.23 73.38 2 0 1000.00 -999 ? >TYR^G 50 6.19 80.51 67.70 5.28 82.10 65.57 5.73 81.30 66.63 3 0 1000.00 -999 ? >ALA^G 51 9.94 78.16 66.12 10.89 77.00 66.41 10.41 77.58 66.26 2 0 1000.00 -999 ? >LYS^G 52 10.67 79.41 62.60 8.64 84.67 59.68 9.66 82.04 61.14 2 0 1000.00 -999 ? >SER^G 53 13.43 78.19 60.25 14.13 76.63 61.95 13.78 77.41 61.10 2 0 1000.00 -999 ? >ILE^G 54 15.56 79.83 56.38 15.50 81.25 55.86 15.53 80.54 56.12 3 0 1000.00 -999 ? >LEU^G 55 15.76 74.40 54.44 16.92 72.55 54.03 16.34 73.48 54.23 3 0 1000.00 -999 ? >ILE^G 56 19.31 78.30 51.55 19.74 78.61 50.89 19.53 78.45 51.22 3 0 1000.00 -999 ? >THR.G 57 18.60 74.17 49.17 16.80 74.25 48.03 17.70 74.21 48.60 2 0 1000.00 -999 ? >THR~G 58 22.11 73.20 48.08 23.11 73.37 50.00 22.61 73.29 49.04 2 0 1000.00 -999 ? >SER~G 59 23.75 70.99 45.49 26.10 71.47 45.22 24.92 71.23 45.36 2 0 1000.00 -999 ? >GLU~G 60 25.02 69.37 50.67 26.51 70.53 51.62 25.76 69.95 51.14 2 0 1000.00 -999 ? >MET?G 61 20.89 67.61 48.69 19.29 70.69 50.97 20.09 69.15 49.83 2 0 1000.00 -999 ? >VAL~G 62 20.07 66.81 45.07 21.28 68.01 43.70 20.68 67.41 44.39 3 0 1000.00 -999 ? >ALA.G 63 18.60 63.47 44.06 17.11 63.20 44.17 17.86 63.33 44.12 2 0 1000.00 -999 ? >ASP.G 64 18.18 63.58 39.54 16.77 65.16 39.50 17.48 64.37 39.52 2 0 1000.00 -999 ? >ASP.G 65 22.16 65.68 36.80 21.23 64.84 35.12 21.69 65.26 35.96 2 0 1000.00 -999 ? >GLN.G 66 15.85 67.67 35.72 16.78 67.00 33.92 16.31 67.33 34.82 2 0 1000.00 -999 ? >GLY.G 67 17.96 69.89 40.55 17.53 69.20 40.49 17.74 69.55 40.52 1 0 1000.00 -999 ? >LEU.G 68 14.76 66.44 41.75 12.98 65.38 42.55 13.87 65.91 42.15 3 0 1000.00 -999 ? >ILE.G 69 15.56 69.12 46.93 16.84 69.61 47.40 16.20 69.36 47.16 3 0 1000.00 -999 ? >PHE.G 70 16.66 62.57 49.17 16.09 59.98 50.15 16.38 61.27 49.66 3 0 1000.00 -999 ? >ASP~G 71 11.45 63.82 50.00 10.63 63.82 48.01 11.04 63.82 49.01 2 0 1000.00 -999 ? >ALA~G 72 14.39 63.74 53.38 15.30 62.56 53.52 14.84 63.15 53.45 2 0 1000.00 -999 ? >PHE~G 73 18.35 66.86 52.37 20.68 65.35 52.13 19.51 66.11 52.25 3 0 1000.00 -999 ? >ILE~G 74 11.72 69.17 52.93 10.81 68.99 51.88 11.27 69.08 52.40 3 0 1000.00 -999 ? >PHE~G 75 11.74 64.12 57.85 10.99 63.01 60.27 11.37 63.57 59.06 3 0 1000.00 -999 ? >ALA~G 76 15.44 67.16 58.22 16.76 67.21 57.50 16.10 67.19 57.86 2 0 1000.00 -999 ? >ALA~G 77 14.44 70.81 58.30 14.16 71.70 57.08 14.30 71.26 57.69 2 0 1000.00 -999 ? >ALA~G 78 11.05 69.86 59.77 10.05 68.93 59.11 10.55 69.40 59.44 2 0 1000.00 -999 ? >ASN~G 79 13.90 66.64 61.88 14.61 65.32 63.43 14.25 65.98 62.65 2 0 1000.00 -999 ? >TYR~G 80 17.03 72.20 63.19 18.93 73.73 64.55 17.98 72.97 63.87 3 0 1000.00 -999 ? >VAL~G 81 12.47 73.29 63.71 10.95 74.18 62.39 11.71 73.73 63.05 3 0 1000.00 -999 ? >ALA~G 82 10.09 70.94 65.51 9.63 69.58 65.04 9.86 70.26 65.27 2 0 1000.00 -999 ? >GLN~G 83 13.93 68.10 68.67 15.72 66.95 68.54 14.83 67.53 68.60 2 0 1000.00 -999 ? >ALA~G 84 13.49 74.03 68.24 13.83 74.88 67.01 13.66 74.46 67.62 2 0 1000.00 -999 ? >SER~G 85 9.85 74.71 69.14 8.68 73.13 67.66 9.26 73.92 68.40 2 0 1000.00 -999 ? >ILE~G 86 9.88 71.29 72.54 9.87 70.94 73.27 9.87 71.11 72.91 3 0 1000.00 -999 ? >ASN~G 87 13.85 75.28 73.07 15.77 76.20 73.29 14.81 75.74 73.18 2 0 1000.00 -999 ? >LYS.G 88 14.89 71.16 75.54 13.45 70.19 80.51 14.17 70.67 78.03 2 0 1000.00 -999 ? >GLU.G 89 20.57 71.33 77.01 22.20 70.61 78.11 21.38 70.97 77.56 2 0 1000.00 -999 ? >PHE.G 90 19.26 66.10 77.97 21.55 66.79 79.42 20.41 66.44 78.69 3 0 1000.00 -999 ? >SER^G 91 15.19 65.63 73.28 14.93 67.58 71.78 15.06 66.61 72.53 2 0 1000.00 -999 ? >VAL^G 92 14.56 63.12 70.53 15.09 61.00 70.77 14.83 62.06 70.65 3 0 1000.00 -999 ? >ILE^G 93 11.55 63.29 66.69 12.24 63.96 65.46 11.89 63.63 66.08 3 0 1000.00 -999 ? >ILE^G 94 9.28 58.87 69.66 8.63 59.03 70.86 8.96 58.95 70.26 3 0 1000.00 -999 ? >GLY^G 95 7.28 59.48 65.48 7.63 60.23 65.55 7.46 59.86 65.52 1 0 1000.00 -999 ? >SER^G 96 6.17 61.53 62.49 8.09 61.17 60.95 7.13 61.35 61.72 2 0 1000.00 -999 ? >LYS^G 97 3.35 61.84 59.98 -1.57 60.60 58.39 0.89 61.22 59.18 2 0 1000.00 -999 ? >CYH^G 98 4.22 64.01 56.99 6.71 63.99 58.24 5.47 64.00 57.61 2 0 1000.00 -999 ? >PHE^G 99 0.40 64.76 54.39 -1.43 63.18 55.78 -0.51 63.97 55.08 3 0 1000.00 -999 ? >PHE^G 100 7.02 65.03 51.83 8.22 63.97 54.11 7.62 64.50 52.97 3 0 1000.00 -999 ? >TYR.G 101 1.05 69.08 50.14 -0.68 68.49 52.26 0.18 68.78 51.20 3 0 1000.00 -999 ? >ALA.G 102 5.49 69.11 46.00 5.13 70.47 45.43 5.31 69.79 45.72 2 0 1000.00 -999 ? >PRO.G 103 8.57 67.09 43.79 8.49 68.50 45.56 8.53 67.79 44.67 3 0 1000.00 -999 ? >LEU.G 104 12.39 71.73 47.36 11.44 72.75 49.06 11.91 72.24 48.21 3 0 1000.00 -999 ? >LYS.G 105 13.96 72.43 43.28 15.45 73.73 38.11 14.70 73.08 40.69 2 0 1000.00 -999 ? >LEU.G 106 18.76 72.89 42.99 20.81 73.12 43.71 19.79 73.00 43.35 3 0 1000.00 -999 ? >GLY.G 107 17.62 77.22 44.36 17.11 76.75 44.82 17.36 76.98 44.59 1 0 1000.00 -999 ? >ASP.G 108 13.30 76.13 46.30 12.14 76.13 44.54 12.72 76.13 45.42 2 0 1000.00 -999 ? >VAL^G 109 14.37 78.43 49.88 15.60 80.17 50.35 14.99 79.30 50.12 3 0 1000.00 -999 ? >LEU^G 110 12.07 75.13 52.50 10.41 73.80 52.83 11.24 74.46 52.67 3 0 1000.00 -999 ? >GLU^G 111 10.59 80.84 53.98 9.85 82.83 53.82 10.22 81.83 53.90 2 0 1000.00 -999 ? >LEU^G 112 10.10 75.25 58.37 10.99 73.89 56.97 10.55 74.57 57.67 3 0 1000.00 -999 ? >GLU^G 113 5.70 79.19 61.99 4.65 80.96 61.54 5.17 80.08 61.76 2 0 1000.00 -999 ? >ALA^G 114 6.48 74.97 63.97 7.74 74.21 64.39 7.11 74.59 64.18 2 0 1000.00 -999 ? >HIS^G 115 2.37 77.07 65.89 2.30 79.05 65.22 2.34 78.06 65.55 3 0 1000.00 -999 ? >ALA^G 116 3.81 72.74 69.60 4.95 72.63 70.58 4.38 72.69 70.09 2 0 1000.00 -999 ? >LEU.G 117 -0.30 70.41 70.65 -1.73 69.05 71.59 -1.01 69.73 71.12 3 0 1000.00 -999 ? >PHE.G 118 0.19 75.47 74.89 -1.87 77.32 74.90 -0.84 76.40 74.89 3 0 1000.00 -999 ? >ASP.G 119 0.36 68.96 75.91 -1.39 67.80 75.55 -0.52 68.38 75.73 2 0 1000.00 -999 ? >GLU.G 120 -2.26 68.26 82.18 -1.39 68.65 84.08 -1.83 68.46 83.13 2 0 1000.00 -999 ? >THR.G 121 0.20 65.38 79.14 0.45 64.17 77.29 0.32 64.78 78.21 2 0 1000.00 -999 ? >SER.G 122 3.99 64.99 79.46 5.30 62.93 79.10 4.64 63.96 79.28 2 0 1000.00 -999 ? >LYS.G 123 7.53 65.23 78.18 10.55 62.46 83.00 9.04 63.84 80.59 2 0 1000.00 -999 ? >LYS^G 124 5.84 63.91 75.01 4.19 59.96 73.57 5.02 61.93 74.29 2 0 1000.00 -999 ? >ARG^G 125 5.21 69.10 75.09 5.36 72.14 74.56 5.29 70.62 74.82 2 0 1000.00 -999 ? >ASP^G 126 1.80 66.35 68.93 1.52 64.40 69.70 1.66 65.37 69.32 2 0 1000.00 -999 ? >VAL^G 127 4.45 69.60 66.94 6.49 70.32 67.32 5.47 69.96 67.13 3 0 1000.00 -999 ? >LYS^G 128 2.72 70.89 63.82 -0.74 70.13 61.30 0.99 70.51 62.56 2 0 1000.00 -999 ? >VAL^G 129 5.19 71.91 61.12 7.37 71.64 61.14 6.28 71.77 61.13 3 0 1000.00 -999 ? >VAL^G 130 4.35 73.62 57.82 2.90 75.27 57.56 3.62 74.45 57.69 3 0 1000.00 -999 ? >GLY^G 131 6.72 74.55 54.99 5.94 74.60 54.78 6.33 74.57 54.88 1 0 1000.00 -999 ? >HIS^G 132 4.38 78.43 53.18 2.42 78.16 53.88 3.40 78.29 53.53 3 0 1000.00 -999 ? >VAL^G 133 8.33 78.05 49.16 9.58 76.87 47.80 8.95 77.46 48.48 3 0 1000.00 -999 ? >LYS.G 134 7.32 81.66 48.57 10.64 83.24 44.40 8.98 82.45 46.49 2 0 1000.00 -999 ? >GLU.G 135 3.22 83.95 47.96 4.24 84.03 46.11 3.73 83.99 47.03 2 0 1000.00 -999 ? >ILE^G 136 3.52 77.33 46.81 3.16 76.88 45.43 3.34 77.11 46.12 3 0 1000.00 -999 ? >LYS^G 137 2.55 75.29 50.95 -1.70 73.54 54.88 0.42 74.42 52.91 2 0 1000.00 -999 ? >MET?G 138 4.85 72.41 50.04 6.06 73.65 46.78 5.46 73.03 48.41 2 0 1000.00 -999 ? >PHE^G 139 6.90 69.51 54.77 7.62 67.65 56.68 7.26 68.58 55.72 3 0 1000.00 -999 ? >GLU^G 140 0.51 70.02 57.24 -1.22 71.23 56.94 -0.36 70.62 57.09 2 0 1000.00 -999 ? >GLY^G 141 3.66 67.38 59.18 3.38 68.03 59.52 3.52 67.71 59.35 1 0 1000.00 -999 ? >THR^G 142 3.17 66.33 62.79 1.23 65.88 63.64 2.20 66.11 63.22 2 0 1000.00 -999 ? >ILE^G 143 7.60 66.11 64.33 8.75 66.37 63.69 8.17 66.24 64.01 3 0 1000.00 -999 ? >GLN^G 144 4.61 62.21 69.12 3.67 60.33 68.88 4.14 61.27 69.00 2 0 1000.00 -999 ? >VAL^G 145 9.12 65.12 70.38 10.12 67.08 70.05 9.62 66.10 70.21 3 0 1000.00 -999 ? >VAL^G 146 10.08 63.56 73.71 9.48 61.60 74.44 9.78 62.58 74.07 3 0 1000.00 -999 ? >SER^G 147 12.47 65.17 76.19 11.57 66.91 77.64 12.02 66.04 76.92 2 0 1000.00 -999 ? >THR.G 148 14.09 63.72 79.30 15.05 62.03 78.41 14.57 62.88 78.85 2 0 1000.00 -999 ? >ASP.G 149 15.44 64.34 83.88 13.76 65.35 84.68 14.60 64.85 84.28 2 0 1000.00 -999 ? >GLU.G 150 21.36 62.54 82.03 22.48 62.18 83.81 21.92 62.36 82.92 2 0 1000.00 -999 ? >HIS.G 151 22.29 62.41 76.24 22.83 62.46 74.22 22.56 62.44 75.23 3 0 1000.00 -999 ? >ILE.G 152 18.33 58.70 75.03 18.27 58.96 74.13 18.30 58.83 74.58 3 0 1000.00 -999 ? >PHE.G 153 23.02 57.75 74.40 22.33 57.87 71.68 22.68 57.81 73.04 3 0 1000.00 -999 ? >LYS.G 154 22.94 57.89 80.50 25.91 61.17 85.11 24.42 59.53 82.81 2 0 1000.00 -999 ? >ARG~H 24 23.22 42.22 38.32 25.87 40.80 38.86 24.55 41.51 38.59 2 0 1000.00 -999 ? >VAL~H 25 22.80 47.63 41.83 22.33 48.01 43.91 22.56 47.82 42.87 3 0 1000.00 -999 ? >ARG~H 26 24.85 52.66 42.56 26.07 51.88 45.32 25.46 52.27 43.94 2 0 1000.00 -999 ? >ALA~H 27 23.53 48.82 37.08 23.94 47.39 36.78 23.73 48.11 36.93 2 0 1000.00 -999 ? >GLU~H 28 17.62 47.26 37.81 16.55 45.64 38.72 17.09 46.45 38.27 2 0 1000.00 -999 ? >LEU~H 29 20.31 52.10 41.23 19.54 52.28 43.26 19.93 52.19 42.25 3 0 1000.00 -999 ? >LEU.H 30 15.97 53.90 37.58 15.85 52.45 35.94 15.91 53.17 36.76 3 0 1000.00 -999 ? >THR.H 31 16.26 56.32 41.50 14.85 55.49 42.85 15.56 55.90 42.17 2 0 1000.00 -999 ? >CYH.H 32 17.93 59.32 43.00 16.10 58.98 45.13 17.02 59.15 44.07 2 0 1000.00 -999 ? >PRO.H 33 19.46 59.34 38.88 20.30 59.10 40.98 19.88 59.22 39.93 3 0 1000.00 -999 ? >GLU.H 34 23.83 64.01 41.26 25.08 62.93 39.93 24.46 63.47 40.60 2 0 1000.00 -999 ? >LEU.H 35 20.89 60.32 46.47 19.89 60.73 48.36 20.39 60.52 47.42 3 0 1000.00 -999 ? >ASN~H 36 24.73 63.13 49.37 26.65 63.39 50.22 25.69 63.26 49.80 2 0 1000.00 -999 ? >THR~H 37 24.99 58.27 49.61 25.52 56.94 47.97 25.26 57.61 48.79 2 0 1000.00 -999 ? >SER~H 38 27.21 59.39 52.50 29.30 60.12 51.46 28.26 59.76 51.98 2 0 1000.00 -999 ? >LEU~H 39 23.85 62.37 53.77 25.20 64.07 54.11 24.53 63.22 53.94 3 0 1000.00 -999 ? >ALA~H 40 21.35 58.61 53.00 20.54 59.08 51.81 20.95 58.85 52.40 2 0 1000.00 -999 ? >GLY~H 41 23.17 55.30 52.90 23.14 55.75 52.20 23.16 55.52 52.55 1 0 1000.00 -999 ? >THR^H 42 24.00 52.86 50.16 26.09 52.68 49.79 25.05 52.77 49.98 2 0 1000.00 -999 ? >ILE^H 43 20.74 50.61 47.32 19.49 50.83 48.03 20.11 50.72 47.68 3 0 1000.00 -999 ? >ILE^H 44 23.12 46.61 50.42 24.47 46.33 50.73 23.80 46.47 50.57 3 0 1000.00 -999 ? >GLU^H 45 19.50 42.38 47.76 19.62 40.73 49.09 19.56 41.56 48.43 2 0 1000.00 -999 ? >ILE^H 46 17.84 46.41 44.04 17.59 47.33 42.93 17.72 46.87 43.49 3 0 1000.00 -999 ? >ASP^H 47 14.63 41.92 44.20 14.23 40.21 43.03 14.43 41.06 43.62 2 0 1000.00 -999 ? >LYS.H 48 11.14 43.53 42.26 7.19 45.90 40.19 9.16 44.72 41.22 2 0 1000.00 -999 ? >ASN.H 49 8.06 44.40 45.20 6.44 44.92 43.90 7.25 44.66 44.55 2 0 1000.00 -999 ? >TYR^H 50 13.74 43.11 48.49 15.70 42.53 50.41 14.72 42.82 49.45 3 0 1000.00 -999 ? >ALA^H 51 15.51 46.71 48.44 15.45 48.14 47.94 15.48 47.43 48.19 2 0 1000.00 -999 ? >LYS^H 52 18.12 46.55 51.22 20.70 41.33 54.07 19.41 43.94 52.64 2 0 1000.00 -999 ? >SER^H 53 20.45 49.33 52.37 19.12 51.12 53.23 19.78 50.23 52.80 2 0 1000.00 -999 ? >ILE^H 54 24.28 49.43 55.23 25.29 48.49 54.70 24.79 48.96 54.97 3 0 1000.00 -999 ? >LEU^H 55 22.44 54.35 57.33 22.45 56.53 57.39 22.44 55.44 57.36 3 0 1000.00 -999 ? >ILE^H 56 28.29 53.90 57.64 29.53 53.20 57.45 28.91 53.55 57.54 3 0 1000.00 -999 ? >THR.H 57 26.50 56.89 60.88 25.74 56.03 62.70 26.12 56.46 61.79 2 0 1000.00 -999 ? >THR~H 58 29.01 59.73 60.57 29.10 60.02 58.42 29.06 59.87 59.50 2 0 1000.00 -999 ? >SER~H 59 30.01 62.83 62.51 32.09 63.60 61.58 31.05 63.21 62.05 2 0 1000.00 -999 ? >GLU~H 60 29.03 65.81 57.72 30.79 65.11 56.76 29.91 65.46 57.24 2 0 1000.00 -999 ? >MET?H 61 24.77 63.51 61.23 24.53 59.57 59.27 24.65 61.54 60.25 2 0 1000.00 -999 ? >VAL~H 62 25.21 64.30 64.94 27.33 64.40 65.38 26.27 64.35 65.16 3 0 1000.00 -999 ? >ALA.H 63 22.69 66.36 66.88 21.41 65.76 67.40 22.05 66.06 67.14 2 0 1000.00 -999 ? >ASP.H 64 24.23 66.75 71.08 24.12 64.75 71.71 24.17 65.75 71.40 2 0 1000.00 -999 ? >ASP.H 65 29.41 67.41 71.89 28.29 68.58 73.28 28.85 67.99 72.58 2 0 1000.00 -999 ? >GLN.H 66 26.18 64.17 74.73 27.92 63.96 75.93 27.05 64.07 75.33 2 0 1000.00 -999 ? >GLY.H 67 27.13 61.11 69.51 26.45 61.48 69.81 26.79 61.29 69.66 1 0 1000.00 -999 ? >LEU.H 68 22.45 62.24 70.08 20.28 61.92 70.28 21.37 62.08 70.18 3 0 1000.00 -999 ? >ILE.H 69 22.39 59.63 64.81 23.41 59.88 63.96 22.90 59.75 64.39 3 0 1000.00 -999 ? >PHE~H 70 18.89 65.58 63.27 16.88 67.49 63.09 17.89 66.54 63.18 3 0 1000.00 -999 ? >ASP~H 71 15.39 61.18 64.49 15.89 61.29 66.57 15.64 61.24 65.53 2 0 1000.00 -999 ? >ALA~H 72 16.02 62.66 60.09 16.05 64.12 59.70 16.03 63.39 59.89 2 0 1000.00 -999 ? >PHE~H 73 21.12 62.24 58.86 22.23 64.68 58.13 21.67 63.46 58.49 3 0 1000.00 -999 ? >ILE~H 74 17.25 56.87 61.00 16.73 56.31 61.54 16.99 56.59 61.27 3 0 1000.00 -999 ? >PHE~H 75 12.37 60.29 57.14 10.20 60.60 55.43 11.29 60.44 56.28 3 0 1000.00 -999 ? >ALA~H 76 16.65 59.83 54.89 17.93 60.61 55.02 17.29 60.22 54.96 2 0 1000.00 -999 ? >ALA~H 77 17.90 56.26 54.72 18.66 55.51 55.80 18.28 55.88 55.26 2 0 1000.00 -999 ? >ALA~H 78 14.35 54.90 54.80 13.36 54.92 55.99 13.86 54.91 55.40 2 0 1000.00 -999 ? >ASN~H 79 13.77 58.92 52.23 12.81 60.13 50.79 13.29 59.52 51.51 2 0 1000.00 -999 ? >TYR~H 80 18.63 56.04 49.12 20.50 55.44 47.11 19.56 55.74 48.11 3 0 1000.00 -999 ? >VAL~H 81 15.61 52.48 50.35 15.53 51.03 51.98 15.57 51.76 51.16 3 0 1000.00 -999 ? >ALA~H 82 11.86 52.82 49.90 10.93 53.72 50.67 11.39 53.27 50.28 2 0 1000.00 -999 ? >GLN~H 83 11.82 56.96 46.56 12.34 58.88 45.77 12.08 57.92 46.16 2 0 1000.00 -999 ? >ALA~H 84 14.92 51.86 45.63 16.17 51.55 46.41 15.54 51.70 46.02 2 0 1000.00 -999 ? >SER~H 85 12.30 49.15 46.23 10.38 49.85 47.50 11.34 49.50 46.87 2 0 1000.00 -999 ? >ILE~H 86 8.94 51.42 43.63 8.16 52.36 44.12 8.55 51.89 43.88 3 0 1000.00 -999 ? >ASN~H 87 13.76 50.37 41.02 15.67 50.60 40.19 14.71 50.49 40.61 2 0 1000.00 -999 ? >LYS.H 88 11.40 54.11 38.84 6.97 52.17 36.33 9.19 53.14 37.59 2 0 1000.00 -999 ? >GLU.H 89 14.41 58.17 35.15 14.95 58.15 33.09 14.68 58.16 34.12 2 0 1000.00 -999 ? >PHE.H 90 10.91 60.46 35.68 12.35 60.76 33.33 11.63 60.61 34.50 3 0 1000.00 -999 ? >SER^H 91 9.46 59.19 41.51 11.07 57.63 42.26 10.26 58.41 41.88 2 0 1000.00 -999 ? >VAL^H 92 8.94 61.13 44.69 8.23 63.04 43.87 8.59 62.08 44.28 3 0 1000.00 -999 ? >ILE^H 93 8.40 60.29 49.35 9.04 59.76 49.56 8.72 60.03 49.45 3 0 1000.00 -999 ? >ILE^H 94 3.05 61.92 48.02 2.25 61.35 47.21 2.65 61.64 47.62 3 0 1000.00 -999 ? >GLY^H 95 3.61 60.81 52.56 4.21 60.34 52.25 3.91 60.57 52.40 1 0 1000.00 -999 ? >SER^H 96 5.01 58.81 55.46 6.93 60.26 55.85 5.97 59.53 55.65 2 0 1000.00 -999 ? >LYS^H 97 4.17 57.32 58.86 0.29 57.20 62.96 2.23 57.26 60.91 2 0 1000.00 -999 ? >CYH^H 98 7.27 56.44 60.91 8.70 57.62 58.83 7.99 57.03 59.87 2 0 1000.00 -999 ? >PHE^H 99 6.04 53.78 64.78 3.27 53.68 64.73 4.65 53.73 64.75 3 0 1000.00 -999 ? >PHE^H 100 12.08 57.82 64.45 11.77 59.13 62.01 11.93 58.47 63.23 3 0 1000.00 -999 ? >TYR.H 101 10.52 51.36 67.68 8.33 50.65 66.10 9.42 51.00 66.89 3 0 1000.00 -999 ? >ALA.H 102 15.43 54.22 69.69 16.15 52.96 70.15 15.79 53.59 69.92 2 0 1000.00 -999 ? >PRO.H 103 17.98 57.53 70.84 17.43 56.46 68.94 17.71 57.00 69.89 3 0 1000.00 -999 ? >LEU.H 104 21.29 56.08 65.26 20.54 54.77 63.67 20.91 55.43 64.46 3 0 1000.00 -999 ? >LYS.H 105 24.48 56.60 68.28 28.48 56.78 71.80 26.48 56.69 70.04 2 0 1000.00 -999 ? >LEU.H 106 28.38 58.82 66.48 30.02 59.53 65.21 29.20 59.17 65.84 3 0 1000.00 -999 ? >GLY.H 107 29.39 54.41 65.27 28.57 54.45 65.12 28.98 54.43 65.20 1 0 1000.00 -999 ? >ASP.H 108 24.78 52.82 65.27 24.47 52.39 67.33 24.62 52.61 66.30 2 0 1000.00 -999 ? >VAL^H 109 25.40 51.03 61.36 26.48 49.42 60.40 25.94 50.22 60.88 3 0 1000.00 -999 ? >LEU^H 110 20.93 52.13 60.29 18.87 52.52 60.60 19.90 52.33 60.45 3 0 1000.00 -999 ? >GLU^H 111 20.55 45.58 57.44 21.45 43.65 57.78 21.00 44.61 57.61 2 0 1000.00 -999 ? >LEU^H 112 16.95 50.23 55.81 17.58 52.14 56.65 17.27 51.18 56.23 3 0 1000.00 -999 ? >GLU^H 113 15.89 44.25 54.91 15.40 42.21 55.23 15.64 43.23 55.07 2 0 1000.00 -999 ? >ALA^H 114 12.01 47.76 52.24 12.26 49.04 51.48 12.13 48.40 51.86 2 0 1000.00 -999 ? >HIS^H 115 9.51 43.74 52.26 10.92 42.35 52.94 10.22 43.04 52.60 3 0 1000.00 -999 ? >ALA^H 116 6.62 47.40 48.45 7.00 47.88 47.07 6.81 47.64 47.76 2 0 1000.00 -999 ? >LEU.H 117 2.02 46.78 49.74 2.39 46.76 51.96 2.21 46.77 50.85 3 0 1000.00 -999 ? >PHE.H 118 1.33 42.32 44.31 1.08 41.22 41.76 1.21 41.77 43.04 3 0 1000.00 -999 ? >ASP.H 119 0.19 47.90 43.77 -1.17 49.24 42.88 -0.49 48.57 43.33 2 0 1000.00 -999 ? >GLU.H 120 2.31 44.66 38.79 2.26 42.70 37.97 2.28 43.68 38.38 2 0 1000.00 -999 ? >THR.H 121 -2.02 48.92 38.15 -3.82 47.88 38.77 -2.92 48.40 38.46 2 0 1000.00 -999 ? >SER.H 122 -0.91 51.96 40.15 -1.78 53.32 41.94 -1.35 52.64 41.04 2 0 1000.00 -999 ? >LYS.H 123 1.68 54.72 40.19 0.34 57.15 35.21 1.01 55.93 37.70 2 0 1000.00 -999 ? >LYS^H 124 1.09 55.15 43.93 -2.85 56.21 45.19 -0.88 55.68 44.56 2 0 1000.00 -999 ? >ARG^H 125 3.27 50.70 43.42 4.91 48.13 43.52 4.09 49.42 43.47 2 0 1000.00 -999 ? >ASP^H 126 1.82 51.46 50.63 0.34 52.99 50.66 1.08 52.22 50.65 2 0 1000.00 -999 ? >VAL^H 127 6.42 50.70 51.06 8.21 51.03 49.79 7.31 50.86 50.42 3 0 1000.00 -999 ? >LYS^H 128 7.15 49.03 54.41 6.22 47.11 58.03 6.68 48.07 56.22 2 0 1000.00 -999 ? >VAL^H 129 10.59 49.95 55.77 11.91 51.51 55.00 11.25 50.73 55.39 3 0 1000.00 -999 ? >VAL^H 130 12.26 48.45 58.83 12.38 46.33 59.26 12.32 47.39 59.04 3 0 1000.00 -999 ? >GLY^H 131 15.65 49.33 60.29 15.18 48.90 60.82 15.41 49.12 60.55 1 0 1000.00 -999 ? >HIS^H 132 16.71 45.12 62.50 14.88 44.09 62.44 15.79 44.60 62.47 3 0 1000.00 -999 ? >VAL^H 133 21.11 48.01 64.46 21.93 49.84 65.26 21.52 48.92 64.86 3 0 1000.00 -999 ? >LYS.H 134 22.57 44.54 64.84 27.88 45.93 67.46 25.22 45.24 66.15 2 0 1000.00 -999 ? >GLU.H 135 21.16 41.13 67.61 21.58 42.49 69.18 21.37 41.81 68.40 2 0 1000.00 -999 ? >ILE^H 136 18.22 46.49 68.50 18.12 47.03 69.95 18.17 46.76 69.22 3 0 1000.00 -999 ? >LYS^H 137 14.59 46.89 65.60 8.97 45.03 64.71 11.78 45.96 65.16 2 0 1000.00 -999 ? >MET?H 138 15.24 50.68 65.68 18.00 50.47 67.34 16.62 50.58 66.51 2 0 1000.00 -999 ? >PHE^H 139 13.02 53.47 61.10 11.56 54.68 59.07 12.29 54.07 60.09 3 0 1000.00 -999 ? >GLU^H 140 8.57 48.75 61.82 7.45 47.58 63.23 8.01 48.16 62.52 2 0 1000.00 -999 ? >GLY^H 141 7.72 53.02 58.76 7.78 52.30 58.45 7.75 52.66 58.60 1 0 1000.00 -999 ? >THR^H 142 5.47 53.18 55.74 3.60 52.24 55.70 4.53 52.71 55.72 2 0 1000.00 -999 ? >ILE^H 143 7.69 56.17 52.75 9.18 56.03 52.33 8.43 56.10 52.54 3 0 1000.00 -999 ? >GLN^H 144 1.95 56.40 51.07 0.87 57.81 52.23 1.41 57.10 51.65 2 0 1000.00 -999 ? >VAL^H 145 6.03 56.69 46.64 7.54 55.10 46.57 6.79 55.89 46.60 3 0 1000.00 -999 ? >VAL^H 146 4.48 57.86 43.39 3.00 59.52 43.67 3.74 58.69 43.53 3 0 1000.00 -999 ? >SER^H 147 6.05 57.71 39.92 5.91 55.29 39.77 5.98 56.50 39.84 2 0 1000.00 -999 ? >THR.H 148 5.26 59.59 36.78 5.62 61.63 37.41 5.44 60.61 37.09 2 0 1000.00 -999 ? >ASP.H 149 4.85 58.68 32.06 3.50 57.12 32.47 4.17 57.90 32.27 2 0 1000.00 -999 ? >GLU.H 150 7.82 62.65 30.70 6.78 63.74 29.24 7.30 63.20 29.97 2 0 1000.00 -999 ? >HIS.H 151 11.98 65.34 36.22 13.55 65.43 37.61 12.77 65.38 36.91 3 0 1000.00 -999 ? >ILE.H 152 7.47 65.77 39.65 7.34 65.10 40.35 7.41 65.43 40.00 3 0 1000.00 -999 ? >PHE.H 153 7.94 68.10 33.45 9.46 67.36 31.20 8.70 67.73 32.33 3 0 1000.00 -999 ?