REMARK SOURCE hebe.pdb HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 25-APR-08 3CYG COMPND UNCHARACTERIZED PROTEIN; COMPND 3 CHAIN: A, B; COMPND 4 FRAGMENT: RESIDUES 37-247; COMPND 5 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: FERVIDOBACTERIUM NODOSUM RT17-B1; SOURCE 3 ORGANISM_TAXID: 381764; SOURCE 4 STRAIN: RT17-B1 / DSM 5306; SOURCE 5 ATCC: 35602; SOURCE 6 GENE: FNOD_1146; SOURCE 7 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 8 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 9 EXPRESSION_SYSTEM_STRAIN: BL21(DE3)(RIPL); SOURCE 10 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 11 EXPRESSION_SYSTEM_VECTOR: PET; SOURCE 12 EXPRESSION_SYSTEM_PLASMID: PSGX3(BC) AUTHOR L.DAMODHARAN,S.K.BURLEY,S.SWAMINATHAN,NEW YORK SGX RESEARCH AUTHOR 2 CENTER FOR STRUCTURAL GENOMICS (NYSGXRC) HET MSE A 38 8 HET MSE A 189 8 HET MSE A 211 8 HET MSE A 224 8 HET MSE B 38 8 HET MSE B 189 8 HET MSE B 211 8 HET MSE B 224 8 >LEU.A 36 31.52 13.60 -11.51 32.48 13.63 -9.59 32.00 13.62 -10.55 3 0 1000.00 -999 ? >ARG.A 37 26.53 14.20 -6.36 29.46 13.87 -5.44 27.99 14.04 -5.90 2 0 1000.00 -999 ? >MET?A 38 25.72 16.74 -9.29 22.08 17.99 -7.74 23.90 17.37 -8.51 2 0 1000.00 -999 ? >LYS.A 39 27.48 19.21 -6.98 29.08 16.58 -4.01 28.28 17.90 -5.50 2 0 1000.00 -999 ? >VAL.A 40 25.68 21.28 -4.33 24.86 19.70 -3.07 25.27 20.49 -3.70 3 0 1000.00 -999 ? >PHE^A 41 30.19 24.14 -1.63 31.54 26.07 -0.11 30.86 25.10 -0.87 3 0 1000.00 -999 ? >GLU^A 42 28.64 27.44 -6.65 27.78 28.18 -8.42 28.21 27.81 -7.54 2 0 1000.00 -999 ? >ILE^A 43 34.38 28.55 -4.69 35.37 28.34 -3.77 34.88 28.45 -4.23 3 0 1000.00 -999 ? >VAL^A 44 32.62 32.17 -7.09 30.74 33.02 -7.77 31.68 32.60 -7.43 3 0 1000.00 -999 ? >LYS^A 45 35.96 33.97 -7.50 39.87 30.36 -6.03 37.91 32.17 -6.77 2 0 1000.00 -999 ? >SER^A 46 36.43 37.65 -8.18 34.57 38.17 -6.78 35.50 37.91 -7.48 2 0 1000.00 -999 ? >SER^A 47 39.02 40.34 -7.65 40.67 39.68 -9.28 39.84 40.01 -8.47 2 0 1000.00 -999 ? >THR^A 48 39.48 44.08 -8.16 37.81 44.63 -6.93 38.64 44.36 -7.54 2 0 1000.00 -999 ? >GLU^A 49 44.35 45.02 -7.67 46.42 45.25 -8.07 45.38 45.14 -7.87 2 0 1000.00 -999 ? >ASN.A 50 42.35 51.03 -7.59 41.60 50.72 -5.64 41.98 50.87 -6.61 2 0 1000.00 -999 ? >GLU.A 51 45.90 54.45 -7.11 46.67 56.34 -7.62 46.29 55.39 -7.37 2 0 1000.00 -999 ? >ILE.A 52 44.46 52.85 -2.35 43.45 53.87 -2.41 43.95 53.36 -2.38 3 0 1000.00 -999 ? >VAL^A 53 43.70 48.37 -2.51 41.67 48.09 -1.78 42.69 48.23 -2.15 3 0 1000.00 -999 ? >ARG^A 54 47.39 43.81 -4.61 46.94 41.61 -6.73 47.16 42.71 -5.67 2 0 1000.00 -999 ? >ILE^A 55 39.13 43.55 -3.42 38.76 43.81 -2.01 38.95 43.68 -2.72 3 0 1000.00 -999 ? >HIS^A 56 42.45 38.58 -4.99 43.51 38.81 -6.79 42.98 38.69 -5.89 3 0 1000.00 -999 ? >VAL^A 57 37.10 37.22 -3.01 35.40 38.40 -2.38 36.25 37.81 -2.69 3 0 1000.00 -999 ? >GLU^A 58 38.23 32.37 -3.44 39.69 31.06 -2.72 38.96 31.72 -3.08 2 0 1000.00 -999 ? >LEU^A 59 31.41 34.35 -3.14 29.73 35.52 -2.49 30.57 34.94 -2.82 3 0 1000.00 -999 ? >PRO^A 60 31.30 31.06 1.09 31.30 30.77 -1.11 31.30 30.91 -0.01 3 0 1000.00 -999 ? >ARG^A 61 27.43 32.03 -4.99 24.81 30.80 -6.03 26.12 31.42 -5.51 2 0 1000.00 -999 ? >LEU^A 62 24.43 25.94 -0.59 25.99 25.40 0.78 25.21 25.67 0.09 3 0 1000.00 -999 ? >LYS.A 63 23.11 25.24 -4.87 27.75 24.50 -9.15 25.43 24.87 -7.01 2 0 1000.00 -999 ? >TYR.A 64 21.43 22.26 -8.14 21.24 23.53 -10.65 21.34 22.89 -9.40 3 0 1000.00 -999 ? >LEU.A 65 19.98 22.91 -1.04 21.91 23.23 -0.14 20.95 23.07 -0.59 3 0 1000.00 -999 ? >LYS.A 66 16.54 20.04 -1.23 18.67 15.49 1.82 17.61 17.77 0.30 2 0 1000.00 -999 ? >ASP~A 67 16.03 22.86 2.54 14.89 24.16 3.75 15.46 23.51 3.14 2 0 1000.00 -999 ? >SER~A 68 15.94 26.23 -0.96 13.76 26.82 -1.89 14.85 26.53 -1.43 2 0 1000.00 -999 ? >ASN~A 69 13.86 28.52 2.84 12.05 29.18 1.95 12.95 28.85 2.39 2 0 1000.00 -999 ? >PHE~A 70 19.38 25.36 4.79 21.74 24.83 6.18 20.56 25.10 5.48 3 0 1000.00 -999 ? >GLU~A 71 20.60 27.68 -1.84 20.22 26.50 -3.53 20.41 27.09 -2.68 2 0 1000.00 -999 ? >GLU~A 72 17.20 31.26 -1.21 15.30 32.03 -1.77 16.25 31.64 -1.49 2 0 1000.00 -999 ? >LYS~A 73 19.57 32.43 4.05 21.80 29.19 8.21 20.68 30.81 6.13 2 0 1000.00 -999 ? >PHE~A 74 24.59 28.84 4.27 27.25 28.19 4.89 25.92 28.51 4.58 3 0 1000.00 -999 ? >ASN~A 75 23.73 31.76 -0.49 24.25 29.82 -1.20 23.99 30.79 -0.85 2 0 1000.00 -999 ? >SER~A 76 23.34 35.71 1.55 21.03 35.62 2.30 22.18 35.67 1.93 2 0 1000.00 -999 ? >GLU~A 77 23.04 34.98 7.31 21.78 33.45 8.07 22.41 34.22 7.69 2 0 1000.00 -999 ? >VAL~A 78 27.90 34.55 4.25 28.74 32.96 3.05 28.32 33.76 3.65 3 0 1000.00 -999 ? >GLU~A 79 27.11 37.78 -0.98 25.59 37.62 -2.42 26.35 37.70 -1.70 2 0 1000.00 -999 ? >GLU~A 80 24.61 40.67 4.36 25.25 42.64 4.76 24.93 41.65 4.56 2 0 1000.00 -999 ? >LYS~A 81 29.87 39.08 5.90 29.13 34.82 10.50 29.50 36.95 8.20 2 0 1000.00 -999 ? >ILE~A 82 32.18 38.16 1.71 33.36 37.35 1.94 32.77 37.76 1.83 3 0 1000.00 -999 ? >LYS~A 83 31.03 42.41 1.53 27.35 44.31 0.74 29.19 43.36 1.14 2 0 1000.00 -999 ? >LYS~A 84 31.29 43.89 5.01 29.62 47.96 8.24 30.45 45.92 6.62 2 0 1000.00 -999 ? >PHE~A 85 36.82 41.03 5.66 39.59 40.66 5.90 38.21 40.84 5.78 3 0 1000.00 -999 ? >VAL~A 86 35.81 43.91 2.17 35.77 42.91 0.23 35.79 43.41 1.20 3 0 1000.00 -999 ? >ASN~A 87 32.69 47.66 2.53 31.72 47.27 0.69 32.21 47.47 1.61 2 0 1000.00 -999 ? >GLU~A 88 34.47 46.85 7.72 34.46 45.70 9.50 34.46 46.27 8.61 2 0 1000.00 -999 ? >VAL~A 89 39.36 47.03 4.36 40.54 45.22 4.17 39.95 46.13 4.27 3 0 1000.00 -999 ? >LYS~A 90 38.49 49.54 1.62 34.40 48.61 -2.60 36.45 49.07 -0.49 2 0 1000.00 -999 ? >GLY~A 91 37.28 52.38 3.81 37.98 51.91 3.85 37.63 52.15 3.83 1 0 1000.00 -999 ? >ILE~A 92 40.82 50.61 6.57 41.05 49.90 7.71 40.94 50.26 7.14 3 0 1000.00 -999 ? >ALA~A 93 42.63 52.10 2.65 42.59 51.11 1.50 42.61 51.61 2.08 2 0 1000.00 -999 ? >GLN~A 94 38.66 55.23 0.11 39.53 56.74 -1.11 39.10 55.98 -0.50 2 0 1000.00 -999 ? >GLU~A 95 39.96 57.95 6.93 39.29 57.61 8.92 39.63 57.78 7.92 2 0 1000.00 -999 ? >ASP~A 96 45.45 54.70 5.43 45.28 53.95 7.38 45.37 54.32 6.41 2 0 1000.00 -999 ? >HIS~A 97 45.18 57.30 -0.77 45.55 58.50 -2.45 45.36 57.90 -1.61 3 0 1000.00 -999 ? >ASP~A 98 41.72 60.33 2.70 40.28 60.28 1.17 41.00 60.31 1.93 2 0 1000.00 -999 ? >LYS~A 99 45.23 61.28 5.21 43.24 58.99 10.37 44.23 60.13 7.79 2 0 1000.00 -999 ? >ASP.A 100 48.81 61.86 2.59 50.58 61.66 1.46 49.69 61.76 2.02 2 0 1000.00 -999 ? >VAL.A 101 49.77 57.88 5.32 49.09 58.58 7.26 49.43 58.23 6.29 3 0 1000.00 -999 ? >GLN.A 102 48.25 53.05 1.75 46.51 52.50 0.65 47.38 52.77 1.20 2 0 1000.00 -999 ? >HIS.A 103 54.16 54.11 4.35 54.30 55.49 5.93 54.23 54.80 5.14 3 0 1000.00 -999 ? >THR.A 104 51.86 50.64 0.06 52.45 48.58 0.42 52.16 49.61 0.24 2 0 1000.00 -999 ? >PRO.A 105 49.82 49.27 -3.44 49.34 49.36 -1.28 49.58 49.32 -2.36 3 0 1000.00 -999 ? >TYR^A 106 46.05 49.17 2.97 47.04 51.24 4.57 46.54 50.21 3.77 3 0 1000.00 -999 ? >GLU^A 107 46.73 42.45 0.61 47.98 41.05 -0.39 47.35 41.75 0.11 2 0 1000.00 -999 ? >ALA^A 108 41.84 41.91 1.46 40.49 42.61 1.56 41.17 42.26 1.51 2 0 1000.00 -999 ? >TYR^A 109 43.37 36.73 -0.87 43.38 35.10 -3.14 43.37 35.91 -2.01 3 0 1000.00 -999 ? >VAL^A 110 38.91 36.00 1.34 36.97 36.64 2.05 37.94 36.32 1.69 3 0 1000.00 -999 ? >SER^A 111 39.54 32.39 0.44 41.47 31.58 1.68 40.51 31.98 1.06 2 0 1000.00 -999 ? >VAL^A 112 37.47 29.22 0.86 35.36 28.91 0.36 36.42 29.06 0.61 3 0 1000.00 -999 ? >ASP^A 113 40.19 26.11 2.92 41.22 24.36 3.34 40.70 25.24 3.13 2 0 1000.00 -999 ? >VAL^A 114 36.85 22.77 1.73 35.38 22.24 0.20 36.11 22.51 0.96 3 0 1000.00 -999 ? >ARG^A 115 39.88 21.37 5.45 41.74 22.90 7.34 40.81 22.14 6.39 2 0 1000.00 -999 ? >TYR^A 116 33.81 15.73 4.42 32.65 13.27 3.81 33.23 14.50 4.12 3 0 1000.00 -999 ? >GLU^A 117 31.98 18.51 -1.79 32.63 19.71 -3.39 32.31 19.11 -2.59 2 0 1000.00 -999 ? >GLY.A 118 30.20 14.65 0.69 29.84 15.41 0.55 30.02 15.03 0.62 1 0 1000.00 -999 ? >LYS.A 119 26.63 13.96 -0.33 22.32 11.14 -0.02 24.47 12.55 -0.18 2 0 1000.00 -999 ? >ASP.A 120 24.63 13.20 3.85 23.57 11.87 2.57 24.10 12.53 3.21 2 0 1000.00 -999 ? >PHE^A 121 28.89 16.80 6.92 29.83 18.33 9.06 29.36 17.56 7.99 3 0 1000.00 -999 ? >LEU^A 122 29.14 20.80 3.04 29.94 21.71 1.26 29.54 21.25 2.15 3 0 1000.00 -999 ? >SER^A 123 32.76 21.25 6.01 34.04 20.88 8.05 33.40 21.07 7.03 2 0 1000.00 -999 ? >PHE^A 124 32.95 25.52 3.53 30.51 26.90 3.52 31.73 26.21 3.53 3 0 1000.00 -999 ? >VAL^A 125 36.65 27.33 6.24 38.46 27.01 7.42 37.55 27.17 6.83 3 0 1000.00 -999 ? >VAL^A 126 36.40 30.93 5.16 34.60 31.93 4.50 35.50 31.43 4.83 3 0 1000.00 -999 ? >TYR^A 127 41.36 30.99 5.72 42.00 28.47 6.76 41.68 29.73 6.24 3 0 1000.00 -999 ? >TYR^A 128 37.13 36.76 6.76 34.58 35.74 6.32 35.85 36.25 6.54 3 0 1000.00 -999 ? >TYR^A 129 45.33 37.91 4.31 47.76 39.28 4.21 46.54 38.60 4.26 3 0 1000.00 -999 ? >GLN^A 130 43.54 43.69 6.90 42.67 44.32 8.74 43.11 44.01 7.82 2 0 1000.00 -999 ? >PHE^A 131 49.42 43.95 4.18 51.86 45.31 4.41 50.64 44.63 4.30 3 0 1000.00 -999 ? >THR.A 132 46.53 47.31 6.13 45.38 48.09 7.78 45.96 47.70 6.96 2 0 1000.00 -999 ? >GLY.A 133 50.23 47.78 6.81 49.92 47.04 7.06 50.08 47.41 6.93 1 0 1000.00 -999 ? >GLY.A 134 52.87 46.21 9.01 52.94 46.19 8.17 52.91 46.20 8.59 1 0 1000.00 -999 ? >ALA.A 135 55.38 43.47 8.20 56.42 42.93 9.17 55.90 43.20 8.69 2 0 1000.00 -999 ? >HIS.A 136 52.74 39.66 9.93 52.41 39.67 12.00 52.58 39.67 10.97 3 0 1000.00 -999 ? >GLY.A 137 48.70 41.02 7.75 49.07 40.42 8.17 48.89 40.72 7.96 1 0 1000.00 -999 ? >ILE^A 138 45.24 40.55 11.01 44.71 41.81 11.40 44.98 41.18 11.20 3 0 1000.00 -999 ? >THR^A 139 44.06 36.46 9.30 44.62 34.85 7.93 44.34 35.65 8.62 2 0 1000.00 -999 ? >PHE^A 140 39.01 37.16 11.13 36.78 38.40 9.94 37.90 37.78 10.53 3 0 1000.00 -999 ? >PHE^A 141 39.97 30.59 10.62 40.93 29.03 12.73 40.45 29.81 11.68 3 0 1000.00 -999 ? >GLU^A 142 33.99 33.13 10.54 32.18 34.16 10.16 33.08 33.64 10.35 2 0 1000.00 -999 ? >THR^A 143 34.19 27.27 9.88 35.45 26.32 11.35 34.82 26.79 10.61 2 0 1000.00 -999 ? >TYR^A 144 30.41 28.03 7.34 30.30 30.81 7.49 30.35 29.42 7.41 3 0 1000.00 -999 ? >ASN^A 145 30.32 21.79 10.60 32.42 22.05 10.85 31.37 21.92 10.72 2 0 1000.00 -999 ? >ILE^A 146 26.48 22.49 6.03 26.01 23.57 5.27 26.24 23.03 5.65 3 0 1000.00 -999 ? >ASP^A 147 23.86 18.24 8.88 22.46 16.71 8.60 23.16 17.48 8.74 2 0 1000.00 -999 ? >LEU.A 148 23.87 18.33 2.79 25.09 19.73 1.68 24.48 19.03 2.23 3 0 1000.00 -999 ? >LYS.A 149 20.60 15.76 4.79 21.13 10.09 4.58 20.87 12.92 4.68 2 0 1000.00 -999 ? >ASN.A 150 18.79 17.38 8.86 18.87 15.26 9.15 18.83 16.32 9.01 2 0 1000.00 -999 ? >SER.A 151 19.83 21.17 6.07 18.27 21.04 4.18 19.05 21.11 5.13 2 0 1000.00 -999 ? >LYS^A 152 21.49 22.36 9.31 20.89 23.48 14.38 21.19 22.92 11.84 2 0 1000.00 -999 ? >VAL^A 153 24.60 24.26 10.39 25.32 26.22 9.77 24.96 25.24 10.08 3 0 1000.00 -999 ? >LEU.A 154 26.53 20.99 13.22 25.01 19.50 12.86 25.77 20.25 13.04 3 0 1000.00 -999 ? >LYS~A 155 28.36 23.81 16.17 29.74 28.93 14.83 29.05 26.37 15.50 2 0 1000.00 -999 ? >LEU~A 156 32.04 21.78 18.68 33.56 20.30 19.07 32.80 21.04 18.88 3 0 1000.00 -999 ? >TYR~A 157 27.22 23.41 21.41 25.97 25.64 20.22 26.60 24.53 20.81 3 0 1000.00 -999 ? >ASP~A 158 25.24 20.40 17.32 24.21 22.23 17.60 24.72 21.31 17.46 2 0 1000.00 -999 ? >ILE~A 159 29.01 16.92 16.77 29.53 16.86 15.46 29.27 16.89 16.11 3 0 1000.00 -999 ? >ILE~A 160 31.11 15.78 21.09 32.40 15.94 20.47 31.75 15.86 20.78 3 0 1000.00 -999 ? >LYS~A 161 28.66 15.93 24.75 27.80 10.96 25.01 28.23 13.44 24.88 2 0 1000.00 -999 ? >GLU~A 162 28.50 20.11 27.58 27.12 19.09 26.32 27.81 19.60 26.95 2 0 1000.00 -999 ? >GLU~A 163 30.08 14.62 30.46 28.25 14.59 29.41 29.17 14.61 29.93 2 0 1000.00 -999 ? >ALA~A 164 34.09 15.02 25.86 33.53 14.96 24.46 33.81 14.99 25.16 2 0 1000.00 -999 ? >GLU~A 165 36.27 20.62 27.02 35.74 22.19 28.29 36.01 21.40 27.66 2 0 1000.00 -999 ? >ASP~A 166 38.38 16.01 30.36 37.94 17.37 31.92 38.16 16.69 31.14 2 0 1000.00 -999 ? >THR~A 167 39.35 13.95 26.53 38.45 12.15 25.83 38.90 13.05 26.18 2 0 1000.00 -999 ? >ILE~A 168 38.84 17.35 23.11 38.10 17.86 21.99 38.47 17.60 22.55 3 0 1000.00 -999 ? >LYS~A 169 42.13 18.80 25.74 39.04 23.35 28.80 40.59 21.08 27.27 2 0 1000.00 -999 ? >SER~A 170 44.21 15.91 26.99 44.55 13.57 27.56 44.38 14.74 27.27 2 0 1000.00 -999 ? >ASN~A 171 43.59 14.55 22.38 44.35 14.02 20.44 43.97 14.28 21.41 2 0 1000.00 -999 ? >ILE~A 172 44.85 19.61 22.25 44.17 20.68 21.65 44.51 20.15 21.95 3 0 1000.00 -999 ? >LEU~A 173 47.72 18.63 26.72 47.01 20.43 27.70 47.37 19.53 27.21 3 0 1000.00 -999 ? >LYS~A 174 49.91 15.48 24.38 47.73 11.28 26.79 48.82 13.38 25.59 2 0 1000.00 -999 ? >GLN~A 175 48.78 16.47 18.61 46.92 16.56 17.58 47.85 16.51 18.09 2 0 1000.00 -999 ? >ILE~A 176 50.96 21.11 22.84 50.54 22.44 23.14 50.75 21.78 22.99 3 0 1000.00 -999 ? >GLU~A 177 55.04 17.14 26.24 55.57 15.19 25.61 55.31 16.17 25.93 2 0 1000.00 -999 ? >GLN~A 178 53.10 14.53 20.99 53.82 12.70 21.83 53.46 13.61 21.41 2 0 1000.00 -999 ? >ASN~A 179 56.43 19.03 18.20 54.45 19.57 17.63 55.44 19.30 17.92 2 0 1000.00 -999 ? >ASN~A 180 56.73 21.65 23.77 58.82 21.42 24.14 57.78 21.53 23.95 2 0 1000.00 -999 ? >THR~A 181 59.35 23.55 20.67 60.76 22.00 20.10 60.05 22.77 20.38 2 0 1000.00 -999 ? >ASP~A 182 56.02 23.95 17.22 57.35 22.90 15.98 56.68 23.42 16.60 2 0 1000.00 -999 ? >PHE~A 183 52.48 24.58 20.38 51.03 22.96 18.62 51.76 23.77 19.50 3 0 1000.00 -999 ? >PHE.A 184 53.48 31.22 22.40 53.59 33.09 20.35 53.54 32.15 21.37 3 0 1000.00 -999 ? >PRO.A 185 56.63 29.70 26.89 55.38 28.04 26.07 56.00 28.87 26.48 3 0 1000.00 -999 ? >ASP~A 186 51.78 30.26 28.51 51.30 31.57 26.91 51.54 30.91 27.71 2 0 1000.00 -999 ? >ALA~A 187 50.13 27.15 25.20 50.77 26.44 24.00 50.45 26.79 24.60 2 0 1000.00 -999 ? >PRO~A 188 51.39 23.57 27.20 49.49 24.67 27.00 50.44 24.12 27.10 3 0 1000.00 -999 ? >MET?A 189 47.68 26.60 29.92 46.69 27.67 32.76 47.19 27.14 31.34 2 0 1000.00 -999 ? >ASN~A 190 45.90 29.09 26.15 47.07 30.74 26.81 46.48 29.92 26.48 2 0 1000.00 -999 ? >ILE~A 191 45.03 23.68 25.53 44.59 23.54 24.16 44.81 23.61 24.84 3 0 1000.00 -999 ? >LEU~A 192 44.07 24.04 30.85 45.19 22.38 31.65 44.63 23.21 31.25 3 0 1000.00 -999 ? >LYS~A 193 41.56 27.58 29.82 44.69 32.75 31.83 43.12 30.16 30.82 2 0 1000.00 -999 ? >ASP~A 194 40.77 26.80 25.15 39.89 27.40 23.33 40.33 27.10 24.24 2 0 1000.00 -999 ? >ASP~A 195 35.25 27.68 25.83 33.32 26.94 25.44 34.29 27.31 25.64 2 0 1000.00 -999 ? >ILE~A 196 37.05 22.42 23.50 38.32 22.30 22.85 37.68 22.36 23.18 3 0 1000.00 -999 ? >PHE~A 197 31.91 22.02 23.63 32.02 19.25 23.89 31.97 20.64 23.76 3 0 1000.00 -999 ? >SER~A 198 33.17 27.42 20.94 34.08 28.96 22.62 33.62 28.19 21.78 2 0 1000.00 -999 ? >ARG~A 199 39.33 27.13 20.28 40.48 29.90 20.78 39.90 28.52 20.53 2 0 1000.00 -999 ? >GLU.A 200 36.67 29.39 14.46 34.60 29.72 14.05 35.63 29.55 14.25 2 0 1000.00 -999 ? >PHE^A 201 34.54 22.28 14.74 31.77 21.86 14.58 33.15 22.07 14.66 3 0 1000.00 -999 ? >THR^A 202 36.16 21.33 10.62 37.77 22.18 9.45 36.97 21.75 10.03 2 0 1000.00 -999 ? >ILE^A 203 33.63 17.40 10.05 33.53 16.58 11.23 33.58 16.99 10.64 3 0 1000.00 -999 ? >SER.A 204 36.55 14.91 7.85 38.51 14.33 6.59 37.53 14.62 7.22 2 0 1000.00 -999 ? >LYS.A 205 35.72 11.27 7.41 38.00 8.68 5.09 36.86 9.98 6.25 2 0 1000.00 -999 ? >ASP.A 206 40.37 10.78 8.76 40.90 9.47 7.16 40.63 10.12 7.96 2 0 1000.00 -999 ? >GLY^A 207 38.12 12.81 12.24 37.97 13.26 11.65 38.04 13.03 11.94 1 0 1000.00 -999 ? >LEU^A 208 36.88 16.10 15.40 36.42 17.87 16.54 36.65 16.99 15.97 3 0 1000.00 -999 ? >ILE^A 209 40.26 19.34 11.92 40.38 18.73 11.32 40.32 19.03 11.62 3 0 1000.00 -999 ? >ILE^A 210 40.34 21.51 17.52 39.03 21.79 18.17 39.69 21.65 17.84 3 0 1000.00 -999 ? >MET?A 211 41.53 25.03 14.66 39.53 24.61 10.96 40.53 24.82 12.81 2 0 1000.00 -999 ? >TYR^A 212 43.55 26.99 18.52 42.29 25.60 20.56 42.92 26.30 19.54 3 0 1000.00 -999 ? >PRO^A 213 43.32 32.39 16.75 44.12 30.88 15.33 43.72 31.64 16.04 3 0 1000.00 -999 ? >HIS^A 214 48.65 33.51 12.76 48.68 32.94 10.74 48.66 33.22 11.75 3 0 1000.00 -999 ? >TYR^A 215 49.78 36.33 17.49 51.40 37.65 15.65 50.59 36.99 16.57 3 0 1000.00 -999 ? >ASP^A 216 45.54 31.36 20.28 43.99 32.78 20.01 44.77 32.07 20.14 2 0 1000.00 -999 ? >LEU^A 217 48.49 27.66 20.57 46.65 26.86 21.34 47.57 27.26 20.95 3 0 1000.00 -999 ? >ALA^A 218 52.15 29.85 18.84 52.33 28.64 17.92 52.24 29.24 18.38 2 0 1000.00 -999 ? >PRO^A 219 55.90 31.02 17.13 53.92 31.96 17.43 54.91 31.49 17.28 3 0 1000.00 -999 ? >TYR^A 220 52.28 35.67 11.97 51.29 36.29 9.42 51.79 35.98 10.69 3 0 1000.00 -999 ? >ALA^A 221 55.73 32.09 12.12 57.18 32.24 12.56 56.45 32.16 12.34 2 0 1000.00 -999 ? >SER^A 222 54.43 28.74 13.35 55.22 28.31 15.59 54.83 28.52 14.47 2 0 1000.00 -999 ? >GLY^A 223 51.23 29.30 11.37 51.19 29.30 12.20 51.21 29.30 11.79 1 0 1000.00 -999 ? >MET?A 224 47.64 28.50 12.30 45.23 31.08 9.77 46.43 29.79 11.03 2 0 1000.00 -999 ? >PRO^A 225 48.66 26.89 16.04 47.58 26.08 14.30 48.12 26.49 15.17 3 0 1000.00 -999 ? >GLU^A 226 44.57 23.63 11.42 44.32 23.13 9.38 44.44 23.38 10.40 2 0 1000.00 -999 ? >PHE^A 227 45.57 20.83 17.99 47.51 22.62 18.85 46.54 21.72 18.42 3 0 1000.00 -999 ? >VAL^A 228 43.29 16.41 14.58 43.73 15.28 12.80 43.51 15.84 13.69 3 0 1000.00 -999 ? >ILE^A 229 40.15 14.86 17.67 40.77 15.02 19.07 40.46 14.94 18.37 3 0 1000.00 -999 ? >PRO^A 230 42.67 10.16 16.07 40.71 11.16 15.83 41.69 10.66 15.95 3 0 1000.00 -999 ? >TRP^A 231 35.63 10.68 12.30 33.73 13.52 14.21 34.68 12.10 13.26 3 0 1000.00 -999 ? >ASN^A 232 37.96 5.34 17.27 39.97 5.83 16.78 38.97 5.58 17.03 2 0 1000.00 -999 ? >VAL^A 233 38.84 8.50 20.44 40.46 9.68 19.59 39.65 9.09 20.01 3 0 1000.00 -999 ? >ILE^A 234 35.76 12.03 20.61 36.41 13.10 19.83 36.08 12.56 20.22 3 0 1000.00 -999 ? >GLU^A 235 32.53 5.72 19.29 30.93 5.54 17.94 31.73 5.63 18.62 2 0 1000.00 -999 ? >LYS^A 236 31.84 7.58 22.97 32.73 5.05 28.61 32.28 6.31 25.79 2 0 1000.00 -999 ? >PHE^A 237 32.44 11.81 24.81 34.55 11.12 26.53 33.50 11.46 25.67 3 0 1000.00 -999 ? >LEU^A 238 28.61 10.64 18.85 30.56 10.82 17.92 29.59 10.73 18.39 3 0 1000.00 -999 ? >LYS^A 239 24.96 13.05 20.08 23.82 18.01 22.55 24.39 15.53 21.31 2 0 1000.00 -999 ? >TYR^A 240 23.76 15.21 14.97 22.50 16.15 12.68 23.13 15.68 13.82 3 0 1000.00 -999 ? >ASP^A 241 24.86 11.01 12.06 23.54 9.38 12.19 24.20 10.20 12.13 2 0 1000.00 -999 ? >ILE^A 242 29.67 8.64 12.73 29.57 8.59 13.58 29.62 8.62 13.15 3 0 1000.00 -999 ? >LEU^A 243 25.65 7.30 9.32 23.54 7.57 8.94 24.60 7.44 9.13 3 0 1000.00 -999 ? >SER^A 244 26.31 11.49 7.22 24.74 12.87 8.53 25.53 12.18 7.87 2 0 1000.00 -999 ? >LEU^A 245 31.02 10.94 7.56 31.46 12.80 8.55 31.24 11.87 8.06 3 0 1000.00 -999 ? >LEU^A 246 29.56 6.15 5.60 27.81 5.13 6.39 28.69 5.64 6.00 3 0 1000.00 -999 ? >LYS^A 247 29.08 7.93 1.20 34.27 10.85 -0.87 31.68 9.39 0.16 2 0 1000.00 -999 ? >GLU^A 248 29.36 2.08 -0.09 31.24 1.24 -0.59 30.30 1.66 -0.34 2 0 1000.00 -999 ? >GLY^A 249 26.35 1.79 3.00 26.71 1.61 2.15 26.53 1.70 2.58 1 0 1000.00 -999 ? >HIS^A 250 28.43 -2.27 1.60 30.08 -2.68 2.84 29.25 -2.47 2.22 3 0 1000.00 -999 ? >MET?B 38 34.74 40.04 12.83 32.32 39.32 9.95 33.53 39.68 11.39 2 0 1000.00 -999 ? >LYS^B 39 32.19 42.68 13.92 34.66 44.30 15.44 33.43 43.49 14.68 2 0 1000.00 -999 ? >VAL^B 40 29.04 41.60 15.72 28.91 40.41 17.54 28.97 41.00 16.63 3 0 1000.00 -999 ? >PHE^B 41 28.04 46.63 18.76 26.95 48.83 20.10 27.49 47.73 19.43 3 0 1000.00 -999 ? >GLU^B 42 25.38 47.81 13.36 24.81 47.40 11.37 25.09 47.61 12.37 2 0 1000.00 -999 ? >ILE^B 43 27.10 52.74 16.56 27.55 53.34 17.75 27.33 53.04 17.15 3 0 1000.00 -999 ? >VAL^B 44 23.81 53.39 13.22 22.22 52.43 12.13 23.01 52.91 12.67 3 0 1000.00 -999 ? >LYS^B 45 24.12 57.19 13.39 29.83 58.14 15.83 26.98 57.67 14.61 2 0 1000.00 -999 ? >SER^B 46 21.45 59.67 12.31 19.49 58.42 13.06 20.47 59.05 12.68 2 0 1000.00 -999 ? >SER^B 47 19.93 63.07 12.97 21.65 64.46 11.96 20.79 63.76 12.46 2 0 1000.00 -999 ? >THR^B 48 17.11 65.47 12.05 15.53 64.08 12.52 16.32 64.77 12.28 2 0 1000.00 -999 ? >GLU^B 49 18.34 71.19 13.35 20.23 72.12 13.20 19.29 71.65 13.27 2 0 1000.00 -999 ? >ASN^B 50 12.88 71.48 12.05 11.88 70.80 13.78 12.38 71.14 12.91 2 0 1000.00 -999 ? >GLU^B 51 11.25 76.18 13.70 10.22 77.97 13.20 10.74 77.08 13.45 2 0 1000.00 -999 ? >ILE^B 52 10.45 73.29 17.45 9.20 72.84 16.89 9.83 73.06 17.17 3 0 1000.00 -999 ? >VAL^B 53 14.06 70.74 18.00 13.26 68.73 18.32 13.66 69.74 18.16 3 0 1000.00 -999 ? >ARG^B 54 21.10 70.32 17.03 22.37 72.80 18.33 21.73 71.56 17.68 2 0 1000.00 -999 ? >ILE^B 55 16.72 64.64 16.96 15.51 63.99 17.41 16.12 64.32 17.19 3 0 1000.00 -999 ? >HIS^B 56 22.64 64.90 16.73 22.98 66.68 15.68 22.81 65.79 16.21 3 0 1000.00 -999 ? >VAL^B 57 20.58 59.33 17.50 18.64 58.39 17.68 19.61 58.86 17.59 3 0 1000.00 -999 ? >GLU^B 58 25.35 58.13 17.77 27.09 58.73 18.77 26.22 58.43 18.27 2 0 1000.00 -999 ? >LEU^B 59 20.40 53.25 16.68 18.70 51.97 16.89 19.55 52.61 16.79 3 0 1000.00 -999 ? >PRO^B 60 22.35 50.63 21.01 22.86 50.84 18.85 22.61 50.74 19.93 3 0 1000.00 -999 ? >ARG^B 61 20.91 48.38 13.90 18.96 46.14 13.16 19.94 47.26 13.53 2 0 1000.00 -999 ? >LEU^B 62 23.36 42.39 18.40 23.87 42.25 20.48 23.62 42.32 19.44 3 0 1000.00 -999 ? >LYS^B 63 24.45 41.54 14.09 28.60 45.17 10.92 26.53 43.35 12.51 2 0 1000.00 -999 ? >TYR^B 64 26.94 39.26 11.26 27.27 41.09 9.16 27.11 40.18 10.21 3 0 1000.00 -999 ? >LEU^B 65 23.76 36.95 17.34 24.06 38.93 18.11 23.91 37.94 17.72 3 0 1000.00 -999 ? >LYS^B 66 23.56 32.63 15.98 28.02 31.63 14.36 25.79 32.13 15.17 2 0 1000.00 -999 ? >ASP^B 67 21.26 33.90 20.06 19.56 33.71 21.31 20.41 33.81 20.69 2 0 1000.00 -999 ? >SER^B 68 18.43 35.01 16.23 18.27 33.67 14.19 18.35 34.34 15.21 2 0 1000.00 -999 ? >ASN^B 69 15.04 34.90 19.66 13.45 35.86 20.68 14.25 35.38 20.17 2 0 1000.00 -999 ? >PHE^B 70 20.29 37.73 22.70 21.76 39.38 24.41 21.03 38.56 23.55 3 0 1000.00 -999 ? >GLU^B 71 21.26 40.00 16.50 21.11 40.05 14.40 21.18 40.02 15.45 2 0 1000.00 -999 ? >GLU^B 72 14.39 39.58 17.04 12.83 39.02 15.72 13.61 39.30 16.38 2 0 1000.00 -999 ? >LYS^B 73 14.64 41.28 20.91 15.66 40.39 26.20 15.15 40.83 23.56 2 0 1000.00 -999 ? >PHE^B 74 20.00 43.69 22.94 21.66 45.68 23.94 20.83 44.68 23.44 3 0 1000.00 -999 ? >ASN^B 75 18.26 45.26 17.90 20.33 44.82 17.88 19.30 45.04 17.89 2 0 1000.00 -999 ? >SER^B 76 14.08 46.42 19.24 12.63 44.72 20.22 13.35 45.57 19.73 2 0 1000.00 -999 ? >GLU^B 77 13.74 44.92 24.09 14.63 43.55 25.41 14.18 44.24 24.75 2 0 1000.00 -999 ? >VAL^B 78 16.96 49.60 23.13 18.79 48.52 22.75 17.88 49.06 22.94 3 0 1000.00 -999 ? >GLU^B 79 15.22 51.44 17.53 14.24 50.58 15.88 14.73 51.01 16.70 2 0 1000.00 -999 ? >GLU^B 80 9.77 50.58 21.86 9.24 50.90 19.83 9.51 50.74 20.84 2 0 1000.00 -999 ? >LYS^B 81 13.59 53.41 24.48 16.15 50.60 29.17 14.87 52.01 26.82 2 0 1000.00 -999 ? >ILE^B 82 16.88 55.27 21.40 18.28 55.38 21.00 17.58 55.33 21.20 3 0 1000.00 -999 ? >LYS^B 83 12.44 56.27 20.39 7.51 55.13 18.02 9.98 55.70 19.20 2 0 1000.00 -999 ? >LYS^B 84 10.37 56.96 23.49 9.63 56.82 28.69 10.00 56.89 26.09 2 0 1000.00 -999 ? >PHE^B 85 15.46 60.08 25.33 17.14 62.18 26.09 16.30 61.13 25.71 3 0 1000.00 -999 ? >VAL^B 86 13.16 61.19 21.39 14.17 60.96 19.45 13.66 61.08 20.42 3 0 1000.00 -999 ? >ASN^B 87 8.37 60.52 21.02 8.66 59.34 19.28 8.52 59.93 20.15 2 0 1000.00 -999 ? >GLU^B 88 8.95 61.13 26.36 10.08 60.07 27.76 9.51 60.60 27.06 2 0 1000.00 -999 ? >VAL^B 89 11.65 65.62 23.92 13.82 65.71 23.92 12.74 65.67 23.92 3 0 1000.00 -999 ? >LYS^B 90 9.73 66.35 20.73 9.22 62.88 16.10 9.47 64.62 18.42 2 0 1000.00 -999 ? >GLY^B 91 6.24 66.39 22.23 6.94 66.84 22.40 6.59 66.62 22.32 1 0 1000.00 -999 ? >ILE^B 92 8.74 68.69 25.66 8.48 68.29 26.30 8.61 68.49 25.98 3 0 1000.00 -999 ? >ALA^B 93 9.30 70.98 21.92 10.31 70.42 20.92 9.81 70.70 21.42 2 0 1000.00 -999 ? >GLN^B 94 4.28 70.02 18.44 5.03 70.98 16.69 4.66 70.50 17.57 2 0 1000.00 -999 ? >GLN^B 102 10.53 76.80 20.53 11.23 74.84 20.97 10.88 75.82 20.75 2 0 1000.00 -999 ? >HIS^B 103 11.57 81.34 25.92 10.04 82.32 26.95 10.81 81.83 26.44 3 0 1000.00 -999 ? >THR^B 104 15.24 78.43 21.98 16.89 77.75 23.22 16.07 78.09 22.60 2 0 1000.00 -999 ? >PRO^B 105 17.80 76.14 19.20 15.86 75.88 20.25 16.83 76.01 19.73 3 0 1000.00 -999 ? >TYR^B 106 13.24 72.35 23.47 11.56 74.06 24.92 12.40 73.21 24.20 3 0 1000.00 -999 ? >GLU^B 107 19.52 70.67 21.66 21.57 70.65 21.22 20.54 70.66 21.44 2 0 1000.00 -999 ? >ALA^B 108 18.01 65.28 22.16 16.73 64.68 21.63 17.37 64.98 21.89 2 0 1000.00 -999 ? >TYR^B 109 23.64 64.26 20.86 25.78 63.84 19.06 24.71 64.05 19.96 3 0 1000.00 -999 ? >VAL^B 110 21.65 59.77 22.01 20.13 58.23 22.01 20.89 59.00 22.01 3 0 1000.00 -999 ? >SER^B 111 25.24 58.53 21.89 26.15 59.88 23.65 25.69 59.20 22.77 2 0 1000.00 -999 ? >VAL^B 112 26.74 55.07 22.30 26.01 53.18 21.53 26.38 54.12 21.91 3 0 1000.00 -999 ? >ASP^B 113 30.25 55.38 25.36 32.28 55.93 25.59 31.27 55.65 25.47 2 0 1000.00 -999 ? >VAL^B 114 31.68 51.09 23.70 31.63 49.76 22.00 31.65 50.43 22.85 3 0 1000.00 -999 ? >ARG^B 115 33.76 52.63 27.99 32.70 54.83 29.83 33.23 53.73 28.91 2 0 1000.00 -999 ? >TYR^B 116 35.82 44.44 26.24 37.27 42.16 25.49 36.55 43.30 25.87 3 0 1000.00 -999 ? >GLU^B 117 33.12 44.97 19.68 32.86 46.22 17.97 32.99 45.60 18.83 2 0 1000.00 -999 ? >GLY^B 118 35.43 41.34 21.64 34.65 41.23 21.63 35.04 41.29 21.64 1 0 1000.00 -999 ? >LYS^B 119 32.70 38.89 20.63 35.67 34.73 16.90 34.18 36.81 18.77 2 0 1000.00 -999 ? >ASP^B 120 32.81 35.85 23.77 33.04 34.08 22.61 32.92 34.97 23.19 2 0 1000.00 -999 ? >PHE^B 121 31.73 40.64 27.78 30.80 42.34 29.81 31.27 41.49 28.79 3 0 1000.00 -999 ? >LEU^B 122 29.34 43.61 23.66 29.28 45.19 22.18 29.31 44.40 22.92 3 0 1000.00 -999 ? >SER^B 123 30.08 46.44 27.20 30.68 47.11 29.45 30.38 46.78 28.33 2 0 1000.00 -999 ? >PHE^B 124 27.14 49.44 24.53 24.60 48.38 24.01 25.87 48.91 24.27 3 0 1000.00 -999 ? >VAL^B 125 26.98 52.99 27.73 27.83 54.36 29.21 27.40 53.67 28.47 3 0 1000.00 -999 ? >VAL^B 126 23.98 54.62 26.16 22.48 53.68 24.92 23.23 54.15 25.54 3 0 1000.00 -999 ? >TYR^B 127 26.36 58.90 27.66 28.62 58.17 29.14 27.49 58.53 28.40 3 0 1000.00 -999 ? >TYR^B 128 19.08 58.09 27.04 18.53 55.41 26.43 18.81 56.75 26.73 3 0 1000.00 -999 ? >TYR^B 129 22.44 66.01 26.19 22.12 68.78 26.31 22.28 67.40 26.25 3 0 1000.00 -999 ? >GLN^B 130 16.76 66.01 28.57 14.71 65.96 29.11 15.73 65.99 28.84 2 0 1000.00 -999 ? >PHE^B 131 18.90 71.95 26.34 19.18 74.73 26.28 19.04 73.34 26.31 3 0 1000.00 -999 ? >THR^B 132 14.75 72.43 27.38 12.74 71.72 27.92 13.75 72.07 27.65 2 0 1000.00 -999 ? >GLY^B 133 16.82 75.55 27.95 16.69 75.00 28.51 16.76 75.28 28.23 1 0 1000.00 -999 ? >GLY^B 134 17.44 74.88 31.63 18.04 75.06 31.09 17.74 74.97 31.36 1 0 1000.00 -999 ? >ALA^B 135 20.78 76.65 31.28 20.80 77.48 32.56 20.79 77.07 31.92 2 0 1000.00 -999 ? >HIS^B 136 23.98 72.87 33.29 26.02 73.18 33.68 25.00 73.02 33.48 3 0 1000.00 -999 ? >GLY^B 137 21.98 69.79 29.85 22.12 69.82 30.66 22.05 69.81 30.25 1 0 1000.00 -999 ? >ILE^B 138 18.79 66.93 32.04 17.70 66.99 32.99 18.24 66.96 32.52 3 0 1000.00 -999 ? >THR^B 139 21.98 63.59 31.16 23.78 63.60 29.97 22.88 63.60 30.57 2 0 1000.00 -999 ? >PHE^B 140 18.61 59.44 31.74 16.75 58.52 29.89 17.68 58.98 30.81 3 0 1000.00 -999 ? >PHE^B 141 24.90 57.06 32.22 26.23 56.95 34.70 25.57 57.01 33.46 3 0 1000.00 -999 ? >GLU^B 142 19.63 53.33 30.67 17.96 52.87 29.46 18.79 53.10 30.07 2 0 1000.00 -999 ? >THR^B 143 24.92 50.52 30.67 25.95 50.75 32.56 25.44 50.64 31.62 2 0 1000.00 -999 ? >TYR^B 144 22.91 47.89 27.33 20.34 48.98 27.23 21.63 48.43 27.28 3 0 1000.00 -999 ? >ASN^B 145 27.67 44.22 31.05 28.37 46.14 31.63 28.02 45.18 31.34 2 0 1000.00 -999 ? >ILE^B 146 25.73 41.58 26.10 24.59 41.96 25.35 25.16 41.77 25.73 3 0 1000.00 -999 ? >ASP^B 147 27.21 36.65 28.50 28.30 34.81 28.37 27.75 35.73 28.43 2 0 1000.00 -999 ? >LEU^B 148 28.30 37.97 22.67 27.92 39.90 21.74 28.11 38.93 22.21 3 0 1000.00 -999 ? >LYS^B 149 28.45 33.62 24.14 33.36 30.62 25.53 30.90 32.12 24.84 2 0 1000.00 -999 ? >ASN^B 150 25.77 32.46 27.93 27.02 30.76 28.22 26.40 31.61 28.08 2 0 1000.00 -999 ? >SER^B 151 23.23 35.55 25.18 22.89 34.24 23.17 23.06 34.89 24.18 2 0 1000.00 -999 ? >LYS^B 152 22.67 37.00 28.66 22.78 34.94 34.68 22.73 35.97 31.67 2 0 1000.00 -999 ? >VAL^B 153 22.46 40.67 29.71 21.08 42.18 28.95 21.77 41.42 29.33 3 0 1000.00 -999 ? >LEU^B 154 26.02 40.49 32.90 26.73 38.56 32.29 26.37 39.52 32.59 3 0 1000.00 -999 ? >LYS^B 155 23.83 42.80 36.12 21.12 47.19 38.43 22.48 44.99 37.28 2 0 1000.00 -999 ? >LEU^B 156 26.85 44.59 39.53 28.85 45.32 39.94 27.85 44.96 39.73 3 0 1000.00 -999 ? >TYR^B 157 22.75 39.87 40.90 20.90 38.32 39.44 21.83 39.09 40.17 3 0 1000.00 -999 ? >ASP^B 158 24.61 38.39 36.86 22.63 37.69 37.07 23.62 38.04 36.96 2 0 1000.00 -999 ? >ILE^B 159 29.63 40.01 37.33 29.97 40.70 36.10 29.80 40.35 36.72 3 0 1000.00 -999 ? >ILE^B 160 31.80 40.71 41.57 32.08 42.05 41.32 31.94 41.38 41.45 3 0 1000.00 -999 ? >LYS^B 161 30.17 38.32 44.83 30.56 33.28 47.62 30.37 35.80 46.22 2 0 1000.00 -999 ? >GLU^B 162 26.32 40.54 47.31 24.66 39.90 48.45 25.49 40.22 47.88 2 0 1000.00 -999 ? >GLU^B 163 31.97 38.04 50.14 31.92 36.14 49.25 31.94 37.09 49.69 2 0 1000.00 -999 ? >ALA^B 164 33.94 42.76 46.79 33.99 42.57 45.27 33.96 42.67 46.03 2 0 1000.00 -999 ? >GLU^B 165 29.76 46.91 48.90 27.73 46.72 48.34 28.75 46.81 48.62 2 0 1000.00 -999 ? >ASP^B 166 34.54 46.28 51.83 32.87 46.31 53.09 33.70 46.29 52.46 2 0 1000.00 -999 ? >THR^B 167 37.29 46.33 48.33 38.43 44.56 47.90 37.86 45.45 48.11 2 0 1000.00 -999 ? >ILE^B 168 34.28 47.85 44.82 33.52 47.45 43.66 33.90 47.65 44.24 3 0 1000.00 -999 ? >LYS^B 169 34.50 51.11 47.88 28.97 50.35 50.76 31.73 50.73 49.32 2 0 1000.00 -999 ? >SER^B 170 38.00 51.28 49.28 38.30 49.64 51.03 38.15 50.46 50.15 2 0 1000.00 -999 ? >ASN^B 171 39.28 50.47 44.75 40.59 50.70 43.09 39.93 50.59 43.92 2 0 1000.00 -999 ? >ILE^B 172 35.41 54.10 44.84 34.14 54.03 44.23 34.77 54.07 44.53 3 0 1000.00 -999 ? >LEU^B 173 37.46 55.63 49.46 35.68 56.04 50.58 36.57 55.83 50.02 3 0 1000.00 -999 ? >LYS^B 174 41.36 55.90 47.45 42.84 52.93 44.22 42.10 54.42 45.83 2 0 1000.00 -999 ? >GLN^B 175 40.44 55.46 42.52 39.64 54.72 40.69 40.04 55.09 41.61 2 0 1000.00 -999 ? >ILE^B 176 37.11 60.24 46.07 35.68 60.48 46.23 36.39 60.36 46.15 3 0 1000.00 -999 ? >GLU^B 177 43.17 60.51 49.27 44.02 58.99 50.50 43.59 59.75 49.88 2 0 1000.00 -999 ? >GLN^B 178 44.71 59.49 44.84 45.48 57.87 43.73 45.09 58.68 44.29 2 0 1000.00 -999 ? >ASN^B 179 40.63 63.73 41.95 42.06 62.81 40.67 41.34 63.27 41.31 2 0 1000.00 -999 ? >ASN^B 180 39.77 65.68 47.54 41.53 66.85 47.51 40.65 66.27 47.52 2 0 1000.00 -999 ? >THR^B 181 38.91 68.93 44.55 40.90 69.70 44.25 39.90 69.31 44.40 2 0 1000.00 -999 ? >ASP^B 182 37.06 66.56 40.73 38.74 67.17 39.61 37.90 66.87 40.17 2 0 1000.00 -999 ? >PHE^B 183 35.04 63.48 43.88 35.71 61.48 42.04 35.37 62.48 42.96 3 0 1000.00 -999 ? >PHE^B 184 29.62 67.80 46.01 28.02 69.33 44.31 28.82 68.56 45.16 3 0 1000.00 -999 ? >PRO^B 185 33.27 69.21 50.54 32.90 67.14 49.89 33.09 68.18 50.21 3 0 1000.00 -999 ? >ASP^B 186 28.95 65.01 51.81 28.04 65.78 50.07 28.50 65.40 50.94 2 0 1000.00 -999 ? >ALA^B 187 31.19 62.31 48.59 32.05 62.69 47.40 31.62 62.50 47.99 2 0 1000.00 -999 ? >PRO^B 188 35.14 61.25 50.19 33.11 60.37 50.08 34.12 60.81 50.13 3 0 1000.00 -999 ? >MET?B 189 30.54 59.38 52.90 29.28 58.71 56.01 29.91 59.04 54.45 2 0 1000.00 -999 ? >ASN^B 190 27.68 59.53 49.02 26.67 61.17 49.91 27.17 60.35 49.47 2 0 1000.00 -999 ? >ILE^B 191 31.99 56.24 48.29 31.96 55.83 46.96 31.98 56.04 47.63 3 0 1000.00 -999 ? >LEU^B 192 30.89 55.11 53.40 32.81 54.86 54.32 31.85 54.98 53.86 3 0 1000.00 -999 ? >LYS^B 193 26.75 54.14 52.26 24.20 58.78 54.59 25.47 56.46 53.43 2 0 1000.00 -999 ? >ASP^B 194 27.04 54.05 47.48 26.11 53.97 45.60 26.57 54.01 46.54 2 0 1000.00 -999 ? >ASP^B 195 23.27 50.00 47.12 22.70 48.17 46.23 22.99 49.08 46.67 2 0 1000.00 -999 ? >ILE^B 196 28.80 48.86 44.76 29.65 49.78 44.00 29.22 49.32 44.38 3 0 1000.00 -999 ? >PHE^B 197 26.17 44.28 44.05 28.47 42.69 44.24 27.32 43.49 44.15 3 0 1000.00 -999 ? >SER^B 198 22.59 48.75 41.95 21.96 50.31 43.71 22.28 49.53 42.83 2 0 1000.00 -999 ? >ARG^B 199 26.53 53.47 42.13 24.84 55.87 42.95 25.69 54.67 42.54 2 0 1000.00 -999 ? >GLU^B 200 23.67 53.06 35.50 22.40 51.56 34.69 23.03 52.31 35.10 2 0 1000.00 -999 ? >PHE^B 201 28.65 47.48 35.97 27.57 45.08 35.03 28.11 46.28 35.50 3 0 1000.00 -999 ? >THR^B 202 30.89 48.90 32.26 30.80 50.71 31.10 30.84 49.80 31.68 2 0 1000.00 -999 ? >ILE^B 203 33.45 45.00 31.34 33.96 44.34 32.57 33.71 44.67 31.95 3 0 1000.00 -999 ? >SER^B 204 37.03 47.05 29.77 37.83 48.98 30.98 37.43 48.02 30.37 2 0 1000.00 -999 ? >LYS^B 205 40.68 46.13 30.03 44.89 46.15 28.48 42.79 46.14 29.26 2 0 1000.00 -999 ? >ASP^B 206 41.94 48.54 33.36 43.11 49.35 31.81 42.53 48.95 32.59 2 0 1000.00 -999 ? >GLY^B 207 38.71 46.06 34.96 38.59 46.70 34.56 38.65 46.38 34.76 1 0 1000.00 -999 ? >LEU^B 208 34.68 46.47 37.54 32.60 46.63 38.11 33.64 46.55 37.82 3 0 1000.00 -999 ? >ILE^B 209 34.13 51.36 34.48 34.81 52.09 33.42 34.47 51.72 33.95 3 0 1000.00 -999 ? >ILE^B 210 31.76 51.87 39.95 31.02 50.73 40.18 31.39 51.30 40.07 3 0 1000.00 -999 ? >MET?B 211 29.75 54.97 37.07 29.74 53.53 33.03 29.74 54.25 35.05 2 0 1000.00 -999 ? >TYR^B 212 28.89 57.51 40.88 29.41 55.58 42.81 29.15 56.54 41.84 3 0 1000.00 -999 ? >PRO^B 213 24.24 60.02 38.93 25.97 60.14 37.59 25.11 60.08 38.26 3 0 1000.00 -999 ? >HIS^B 214 26.09 65.48 35.46 27.09 65.55 33.62 26.59 65.52 34.54 3 0 1000.00 -999 ? >TYR^B 215 23.84 67.30 40.10 23.37 69.16 38.06 23.61 68.23 39.08 3 0 1000.00 -999 ? >ASP^B 216 25.64 61.12 42.43 23.66 60.44 42.26 24.65 60.78 42.34 2 0 1000.00 -999 ? >LEU^B 217 30.32 61.81 43.47 30.17 59.78 44.14 30.24 60.79 43.80 3 0 1000.00 -999 ? >ALA^B 218 30.45 66.24 42.33 31.69 65.93 41.51 31.07 66.09 41.92 2 0 1000.00 -999 ? >PRO^B 219 31.41 70.33 41.22 29.61 69.02 41.22 30.51 69.68 41.22 3 0 1000.00 -999 ? >TYR^B 220 26.60 69.79 35.27 25.91 68.97 32.68 26.26 69.38 33.98 3 0 1000.00 -999 ? >ALA^B 221 31.29 70.77 35.98 31.83 72.13 36.42 31.56 71.45 36.20 2 0 1000.00 -999 ? >SER^B 222 33.21 67.68 37.12 33.64 68.14 39.47 33.42 67.91 38.29 2 0 1000.00 -999 ? >GLY^B 223 31.33 65.53 34.65 31.22 65.48 35.51 31.27 65.50 35.08 1 0 1000.00 -999 ? >MET?B 224 29.93 62.07 35.39 26.88 61.78 32.41 28.41 61.92 33.90 2 0 1000.00 -999 ? >PRO^B 225 31.36 61.72 39.35 31.82 60.67 37.46 31.59 61.20 38.41 3 0 1000.00 -999 ? >GLU^B 226 33.09 56.83 34.37 33.67 56.67 32.34 33.38 56.75 33.36 2 0 1000.00 -999 ? >PHE^B 227 35.39 55.71 40.74 34.90 58.21 41.86 35.14 56.96 41.30 3 0 1000.00 -999 ? >VAL^B 228 38.10 51.73 37.09 39.11 51.71 35.15 38.61 51.72 36.12 3 0 1000.00 -999 ? >ILE^B 229 37.47 48.49 40.70 37.02 49.00 41.19 37.24 48.75 40.94 3 0 1000.00 -999 ? >PRO^B 230 42.85 48.90 38.98 41.09 47.58 38.71 41.97 48.24 38.84 3 0 1000.00 -999 ? >TRP^B 231 40.23 43.40 34.20 36.50 42.58 35.18 38.37 42.99 34.69 3 0 1000.00 -999 ? >ASN^B 232 45.10 42.60 39.91 45.15 44.73 40.03 45.13 43.67 39.97 2 0 1000.00 -999 ? >VAL^B 233 42.08 43.60 42.98 42.09 45.77 42.76 42.09 44.69 42.87 3 0 1000.00 -999 ? >ILE^B 234 37.60 42.84 42.15 37.08 43.96 41.45 37.34 43.40 41.80 3 0 1000.00 -999 ? >GLU^B 235 41.54 38.65 39.93 43.00 37.93 38.56 42.27 38.29 39.24 2 0 1000.00 -999 ? >LYS^B 236 38.88 36.85 43.79 42.67 39.94 46.01 40.78 38.40 44.90 2 0 1000.00 -999 ? >PHE^B 237 35.72 39.56 45.88 37.57 40.61 47.69 36.64 40.09 46.79 3 0 1000.00 -999 ? >LEU^B 238 35.52 36.60 39.58 35.48 37.79 37.79 35.50 37.19 38.68 3 0 1000.00 -999 ?