NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
562710 | 2m65 | 19108 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2m65 save_distance_constraint_statistics_1 _Distance_constraint_stats_list.Sf_category distance_constraint_statistics _Distance_constraint_stats_list.Constraint_list_ID 1 _Distance_constraint_stats_list.Constraint_count 2083 _Distance_constraint_stats_list.Viol_count 2845 _Distance_constraint_stats_list.Viol_total 4292.649 _Distance_constraint_stats_list.Viol_max 0.850 _Distance_constraint_stats_list.Viol_rms 0.0195 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0023 _Distance_constraint_stats_list.Viol_average_violations_only 0.0503 _Distance_constraint_stats_list.Cutoff_violation_report 0.500 _Distance_constraint_stats_list.Details ; Description of the tags in this list: * 1 * Administrative tag * 2 * Administrative tag * 3 * Administrative tag * 4 * ID of the restraint list. * 5 * Number of restraints in list. * 6 * Number of violated restraints (each model violation is used). * 7 * Sum of violations in Angstrom. * 8 * Maximum violation of a restraint without averaging in any way. * 9 * Rms of violations over all restraints. * 10 * Average violation over all restraints. * 11 * Average violation over violated restraints. This violation is averaged over only those models in which the restraint is violated. These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998). * 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table. * 13 * This tag Description of the tags in the per residue table below: * 1 * Chain identifier (can be absent if none defined) * 2 * Residue number * 3 * Residue name * 4 * Maximum violation in ensemble of models (without any averaging) * 5 * Model number with the maximum violation * 6 * Number of models with a violation above cutoff * 7 * List of models (1 character per model) with a violation above cutoff. An '*' marks a violation above the cutoff. A '+' indicates the largest violation above the cutoff and a '-' marks the smallest violation over cutoff. For models 5, 15, 25,... a ' ' is replaced by a '.'. For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1. * 8 * Administrative tag * 9 * Administrative tag Description of the tags in the per restraint table below: * 1 * Restraint ID within restraint list. First node, FIRST member, first atom's: * 2 * Chain identifier (can be absent if none defined) * 3 * Residue number * 4 * Residue name * 5 * Name of (pseudo-)atom First node, SECOND member, first atom's: * 6 * Chain identifier (can be absent if none defined) * 7 * Residue number * 8 * Residue name * 9 * Name of (pseudo-)atom FIRST node's: * 10 * Target distance value (Angstrom) * 11 * Lower bound distance (Angstrom) * 12 * Upper bound distance (Angstrom) * 13 * Average distance in ensemble of models * 14 * Minimum distance in ensemble of models * 15 * Maximum distance in ensemble of models * 16 * Maximum violation (without any averaging) * 17 * Model number with the maximum violation * 18 * Number of models with a violation above cutoff * 19 * List of models with a violation above cutoff. See description above. * 20 * Administrative tag * 21 * Administrative tag ; loop_ _Distance_constraint_stats_per_res.Atom_entity_assembly_ID _Distance_constraint_stats_per_res.Atom_comp_index_ID _Distance_constraint_stats_per_res.Atom_comp_ID _Distance_constraint_stats_per_res.Total_violation _Distance_constraint_stats_per_res.Max_violation _Distance_constraint_stats_per_res.Max_violation_model_number _Distance_constraint_stats_per_res.Over_cutoff_viol_count _Distance_constraint_stats_per_res.Over_cutoff_viol_per_model 1 2 GLU 0.001 0.001 8 0 "[ . 1 . 2 . 3]" 1 3 ALA 0.001 0.001 8 0 "[ . 1 . 2 . 3]" 1 4 SER 0.026 0.008 9 0 "[ . 1 . 2 . 3]" 1 5 PRO 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 6 ALA 0.032 0.014 27 0 "[ . 1 . 2 . 3]" 1 7 SER 0.013 0.009 2 0 "[ . 1 . 2 . 3]" 1 8 GLY 0.027 0.014 27 0 "[ . 1 . 2 . 3]" 1 9 PRO 0.070 0.027 26 0 "[ . 1 . 2 . 3]" 1 10 ARG 0.557 0.084 12 0 "[ . 1 . 2 . 3]" 1 11 HIS 1.081 0.514 6 1 "[ .+ 1 . 2 . 3]" 1 12 LEU 17.874 0.514 6 1 "[ .+ 1 . 2 . 3]" 1 13 MET 2.833 0.152 22 0 "[ . 1 . 2 . 3]" 1 14 ASP 0.806 0.177 7 0 "[ . 1 . 2 . 3]" 1 15 PRO 2.110 0.143 7 0 "[ . 1 . 2 . 3]" 1 16 HIS 1.542 0.460 7 0 "[ . 1 . 2 . 3]" 1 17 ILE 2.172 0.460 7 0 "[ . 1 . 2 . 3]" 1 18 PHE 0.170 0.032 8 0 "[ . 1 . 2 . 3]" 1 19 THR 0.768 0.063 8 0 "[ . 1 . 2 . 3]" 1 20 SER 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 21 ASN 0.164 0.095 11 0 "[ . 1 . 2 . 3]" 1 22 PHE 0.226 0.036 8 0 "[ . 1 . 2 . 3]" 1 23 ASN 0.023 0.023 9 0 "[ . 1 . 2 . 3]" 1 24 ASN 1.560 0.107 26 0 "[ . 1 . 2 . 3]" 1 25 GLY 0.090 0.020 8 0 "[ . 1 . 2 . 3]" 1 26 ILE 0.483 0.132 21 0 "[ . 1 . 2 . 3]" 1 27 GLY 0.320 0.086 21 0 "[ . 1 . 2 . 3]" 1 28 ARG 1.324 0.318 21 0 "[ . 1 . 2 . 3]" 1 29 HIS 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 30 LYS 1.254 0.212 21 0 "[ . 1 . 2 . 3]" 1 31 THR 5.587 0.735 21 1 "[ . 1 . 2+ . 3]" 1 32 TYR 0.719 0.081 7 0 "[ . 1 . 2 . 3]" 1 33 LEU 0.840 0.108 2 0 "[ . 1 . 2 . 3]" 1 34 CYS 0.594 0.049 16 0 "[ . 1 . 2 . 3]" 1 35 TYR 1.651 0.090 23 0 "[ . 1 . 2 . 3]" 1 36 GLU 0.711 0.075 4 0 "[ . 1 . 2 . 3]" 1 37 VAL 3.581 0.232 30 0 "[ . 1 . 2 . 3]" 1 38 GLU 0.430 0.092 23 0 "[ . 1 . 2 . 3]" 1 39 ARG 1.551 0.149 29 0 "[ . 1 . 2 . 3]" 1 40 LEU 1.441 0.151 12 0 "[ . 1 . 2 . 3]" 1 41 ASP 0.369 0.071 9 0 "[ . 1 . 2 . 3]" 1 42 ASN 0.251 0.058 30 0 "[ . 1 . 2 . 3]" 1 43 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 44 THR 0.075 0.012 26 0 "[ . 1 . 2 . 3]" 1 45 SER 0.052 0.016 19 0 "[ . 1 . 2 . 3]" 1 46 VAL 0.157 0.014 8 0 "[ . 1 . 2 . 3]" 1 47 LYS 0.424 0.092 23 0 "[ . 1 . 2 . 3]" 1 48 MET 0.884 0.120 29 0 "[ . 1 . 2 . 3]" 1 49 ASP 0.086 0.019 24 0 "[ . 1 . 2 . 3]" 1 50 GLN 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 51 HIS 2.758 0.181 2 0 "[ . 1 . 2 . 3]" 1 52 ARG 0.045 0.040 5 0 "[ . 1 . 2 . 3]" 1 53 GLY 0.768 0.055 30 0 "[ . 1 . 2 . 3]" 1 54 PHE 1.426 0.104 24 0 "[ . 1 . 2 . 3]" 1 55 LEU 0.421 0.045 24 0 "[ . 1 . 2 . 3]" 1 56 HIS 0.008 0.008 28 0 "[ . 1 . 2 . 3]" 1 57 ASN 0.814 0.080 9 0 "[ . 1 . 2 . 3]" 1 58 GLN 0.332 0.053 2 0 "[ . 1 . 2 . 3]" 1 59 ALA 0.090 0.048 3 0 "[ . 1 . 2 . 3]" 1 60 LYS 0.121 0.048 3 0 "[ . 1 . 2 . 3]" 1 61 ASN 0.767 0.183 10 0 "[ . 1 . 2 . 3]" 1 62 LEU 0.828 0.241 29 0 "[ . 1 . 2 . 3]" 1 63 LEU 0.529 0.172 29 0 "[ . 1 . 2 . 3]" 1 64 CYS 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 65 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 66 PHE 0.274 0.141 26 0 "[ . 1 . 2 . 3]" 1 67 TYR 1.010 0.241 29 0 "[ . 1 . 2 . 3]" 1 69 ARG 0.030 0.013 28 0 "[ . 1 . 2 . 3]" 1 70 HIS 0.302 0.053 2 0 "[ . 1 . 2 . 3]" 1 71 ALA 0.372 0.079 2 0 "[ . 1 . 2 . 3]" 1 72 GLU 0.389 0.108 2 0 "[ . 1 . 2 . 3]" 1 73 LEU 1.066 0.337 19 0 "[ . 1 . 2 . 3]" 1 74 ARG 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 75 PHE 1.186 0.118 29 0 "[ . 1 . 2 . 3]" 1 76 LEU 0.124 0.046 30 0 "[ . 1 . 2 . 3]" 1 77 ASP 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 78 LEU 2.532 0.373 24 0 "[ . 1 . 2 . 3]" 1 79 VAL 0.526 0.147 15 0 "[ . 1 . 2 . 3]" 1 80 PRO 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 81 SER 2.259 0.251 30 0 "[ . 1 . 2 . 3]" 1 82 LEU 4.870 0.251 30 0 "[ . 1 . 2 . 3]" 1 83 GLN 0.658 0.134 1 0 "[ . 1 . 2 . 3]" 1 84 LEU 0.723 0.140 24 0 "[ . 1 . 2 . 3]" 1 85 ASP 0.179 0.040 13 0 "[ . 1 . 2 . 3]" 1 86 PRO 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 87 ALA 0.106 0.036 15 0 "[ . 1 . 2 . 3]" 1 88 GLN 0.716 0.085 15 0 "[ . 1 . 2 . 3]" 1 89 ILE 4.672 0.214 2 0 "[ . 1 . 2 . 3]" 1 90 TYR 5.209 0.214 2 0 "[ . 1 . 2 . 3]" 1 91 ARG 0.187 0.037 29 0 "[ . 1 . 2 . 3]" 1 92 VAL 1.229 0.095 24 0 "[ . 1 . 2 . 3]" 1 93 THR 0.475 0.067 2 0 "[ . 1 . 2 . 3]" 1 94 TRP 21.689 0.850 13 11 "[ * 1 +***** 2 . **-*]" 1 95 PHE 3.655 0.273 23 0 "[ . 1 . 2 . 3]" 1 96 ILE 16.692 0.358 9 0 "[ . 1 . 2 . 3]" 1 97 SER 0.007 0.006 29 0 "[ . 1 . 2 . 3]" 1 98 TRP 8.297 0.735 21 1 "[ . 1 . 2+ . 3]" 1 99 SER 1.208 0.077 21 0 "[ . 1 . 2 . 3]" 1 102 PHE 9.520 0.324 24 0 "[ . 1 . 2 . 3]" 1 103 SER 3.893 0.324 24 0 "[ . 1 . 2 . 3]" 1 104 TRP 5.908 0.230 26 0 "[ . 1 . 2 . 3]" 1 105 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 106 CYS 0.434 0.193 26 0 "[ . 1 . 2 . 3]" 1 107 ALA 0.100 0.057 26 0 "[ . 1 . 2 . 3]" 1 108 GLY 2.834 0.133 2 0 "[ . 1 . 2 . 3]" 1 109 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 110 VAL 0.101 0.037 28 0 "[ . 1 . 2 . 3]" 1 111 ARG 3.161 0.192 24 0 "[ . 1 . 2 . 3]" 1 112 ALA 1.884 0.572 9 1 "[ . +1 . 2 . 3]" 1 113 PHE 0.225 0.037 12 0 "[ . 1 . 2 . 3]" 1 114 LEU 0.034 0.009 12 0 "[ . 1 . 2 . 3]" 1 115 GLN 3.372 0.572 9 1 "[ . +1 . 2 . 3]" 1 116 GLU 0.437 0.119 9 0 "[ . 1 . 2 . 3]" 1 117 ASN 0.747 0.060 2 0 "[ . 1 . 2 . 3]" 1 118 THR 0.021 0.012 2 0 "[ . 1 . 2 . 3]" 1 119 HIS 0.145 0.047 8 0 "[ . 1 . 2 . 3]" 1 120 VAL 0.650 0.060 2 0 "[ . 1 . 2 . 3]" 1 121 ARG 0.420 0.043 4 0 "[ . 1 . 2 . 3]" 1 122 LEU 2.205 0.118 29 0 "[ . 1 . 2 . 3]" 1 123 ARG 0.081 0.043 2 0 "[ . 1 . 2 . 3]" 1 124 ILE 0.571 0.067 2 0 "[ . 1 . 2 . 3]" 1 125 PHE 15.686 0.850 13 11 "[ * 1 +***** 2 . **-*]" 1 126 ALA 1.007 0.096 23 0 "[ . 1 . 2 . 3]" 1 127 ALA 0.605 0.079 5 0 "[ . 1 . 2 . 3]" 1 128 ARG 6.477 0.260 15 0 "[ . 1 . 2 . 3]" 1 129 ILE 1.839 0.153 29 0 "[ . 1 . 2 . 3]" 1 130 TYR 2.089 0.151 24 0 "[ . 1 . 2 . 3]" 1 131 ASP 1.192 0.153 29 0 "[ . 1 . 2 . 3]" 1 132 TYR 0.011 0.011 29 0 "[ . 1 . 2 . 3]" 1 133 ASP 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 134 PRO 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 135 LEU 0.172 0.031 4 0 "[ . 1 . 2 . 3]" 1 136 TYR 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 137 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 138 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 139 ALA 0.179 0.057 26 0 "[ . 1 . 2 . 3]" 1 140 LEU 0.009 0.009 18 0 "[ . 1 . 2 . 3]" 1 141 GLN 0.419 0.065 4 0 "[ . 1 . 2 . 3]" 1 142 MET 2.999 0.128 4 0 "[ . 1 . 2 . 3]" 1 143 LEU 0.214 0.037 28 0 "[ . 1 . 2 . 3]" 1 144 ARG 0.027 0.013 22 0 "[ . 1 . 2 . 3]" 1 145 ASP 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 146 ALA 0.011 0.011 2 0 "[ . 1 . 2 . 3]" 1 147 GLY 0.018 0.008 18 0 "[ . 1 . 2 . 3]" 1 148 ALA 0.013 0.006 29 0 "[ . 1 . 2 . 3]" 1 149 GLN 0.016 0.013 13 0 "[ . 1 . 2 . 3]" 1 150 VAL 0.078 0.013 22 0 "[ . 1 . 2 . 3]" 1 151 SER 0.002 0.002 21 0 "[ . 1 . 2 . 3]" 1 152 ILE 0.638 0.052 17 0 "[ . 1 . 2 . 3]" 1 153 MET 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 154 THR 0.243 0.034 12 0 "[ . 1 . 2 . 3]" 1 155 TYR 0.457 0.084 12 0 "[ . 1 . 2 . 3]" 1 156 ASP 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 157 GLU 0.026 0.026 12 0 "[ . 1 . 2 . 3]" 1 158 PHE 0.105 0.034 12 0 "[ . 1 . 2 . 3]" 1 159 LYS 0.428 0.052 24 0 "[ . 1 . 2 . 3]" 1 160 HIS 0.797 0.065 7 0 "[ . 1 . 2 . 3]" 1 161 CYS 0.168 0.065 7 0 "[ . 1 . 2 . 3]" 1 162 TRP 4.408 0.144 7 0 "[ . 1 . 2 . 3]" 1 163 ASP 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 164 THR 0.245 0.055 7 0 "[ . 1 . 2 . 3]" 1 165 PHE 1.116 0.087 27 0 "[ . 1 . 2 . 3]" 1 166 VAL 16.390 0.408 6 0 "[ . 1 . 2 . 3]" 1 167 ASP 0.480 0.100 11 0 "[ . 1 . 2 . 3]" 1 168 HIS 10.701 0.420 6 0 "[ . 1 . 2 . 3]" 1 169 GLN 7.025 0.274 15 0 "[ . 1 . 2 . 3]" 1 170 GLY 4.773 0.210 19 0 "[ . 1 . 2 . 3]" 1 171 CYS 2.980 0.144 7 0 "[ . 1 . 2 . 3]" 1 172 PRO 0.547 0.079 23 0 "[ . 1 . 2 . 3]" 1 173 PHE 1.760 0.061 8 0 "[ . 1 . 2 . 3]" 1 174 GLN 0.246 0.061 8 0 "[ . 1 . 2 . 3]" 1 175 PRO 0.200 0.068 4 0 "[ . 1 . 2 . 3]" 1 176 TRP 0.465 0.041 4 0 "[ . 1 . 2 . 3]" 1 177 ASP 0.032 0.022 4 0 "[ . 1 . 2 . 3]" 1 178 GLY 0.701 0.164 23 0 "[ . 1 . 2 . 3]" 1 179 LEU 1.485 0.158 11 0 "[ . 1 . 2 . 3]" 1 180 ASP 0.297 0.088 11 0 "[ . 1 . 2 . 3]" 1 181 GLU 0.186 0.061 15 0 "[ . 1 . 2 . 3]" 1 182 HIS 1.119 0.164 23 0 "[ . 1 . 2 . 3]" 1 183 SER 0.032 0.009 4 0 "[ . 1 . 2 . 3]" 1 184 GLN 0.008 0.007 8 0 "[ . 1 . 2 . 3]" 1 185 ALA 0.004 0.004 3 0 "[ . 1 . 2 . 3]" 1 186 LEU 0.176 0.035 22 0 "[ . 1 . 2 . 3]" 1 187 SER 0.043 0.025 16 0 "[ . 1 . 2 . 3]" 1 188 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 189 ARG 0.144 0.069 22 0 "[ . 1 . 2 . 3]" 1 190 LEU 0.245 0.046 22 0 "[ . 1 . 2 . 3]" 1 191 ARG 0.067 0.019 14 0 "[ . 1 . 2 . 3]" 1 192 ALA 0.029 0.019 14 0 "[ . 1 . 2 . 3]" 1 193 ILE 0.399 0.046 22 0 "[ . 1 . 2 . 3]" 1 194 LEU 0.015 0.008 25 0 "[ . 1 . 2 . 3]" 1 195 GLN 0.493 0.124 19 0 "[ . 1 . 2 . 3]" 1 196 ASN 0.161 0.107 15 0 "[ . 1 . 2 . 3]" 1 197 GLN 0.004 0.004 15 0 "[ . 1 . 2 . 3]" 1 198 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 199 ASN 0.000 0.000 . 0 "[ . 1 . 2 . 3]" stop_ loop_ _Distance_constraint_stats.Restraint_ID _Distance_constraint_stats.Atom_1_entity_assembly_ID _Distance_constraint_stats.Atom_1_comp_index_ID _Distance_constraint_stats.Atom_1_comp_ID _Distance_constraint_stats.Atom_1_ID _Distance_constraint_stats.Atom_2_entity_assembly_ID _Distance_constraint_stats.Atom_2_comp_index_ID _Distance_constraint_stats.Atom_2_comp_ID _Distance_constraint_stats.Atom_2_ID _Distance_constraint_stats.Node_1_distance_val _Distance_constraint_stats.Node_1_distance_lower_bound_val _Distance_constraint_stats.Node_1_distance_upper_bound_val _Distance_constraint_stats.Distance_average _Distance_constraint_stats.Distance_minimum _Distance_constraint_stats.Distance_maximum _Distance_constraint_stats.Max_violation _Distance_constraint_stats.Max_violation_model_number _Distance_constraint_stats.Over_cutoff_violation_count _Distance_constraint_stats.Over_cutoff_viol_per_model _Distance_constraint_stats.Distance_constraint_stats_ID 1 1 2 GLU HA 1 3 ALA H 4.000 . 4.000 2.567 2.148 3.562 . 0 0 "[ . 1 . 2 . 3]" 1 2 1 2 GLU HB3 1 3 ALA H 5.000 . 5.000 3.620 1.851 4.587 . 0 0 "[ . 1 . 2 . 3]" 1 3 1 2 GLU HB2 1 3 ALA H 5.000 . 5.000 3.690 1.874 4.623 . 0 0 "[ . 1 . 2 . 3]" 1 4 1 2 GLU QG 1 3 ALA H 5.000 . 5.000 3.592 1.799 4.514 0.001 8 0 "[ . 1 . 2 . 3]" 1 5 1 3 ALA HA 1 4 SER H 4.000 . 4.000 2.892 2.150 3.574 . 0 0 "[ . 1 . 2 . 3]" 1 6 1 3 ALA MB 1 4 SER H 5.000 . 5.500 2.815 1.800 3.671 0.000 1 0 "[ . 1 . 2 . 3]" 1 7 1 3 ALA H 1 4 SER H 5.000 . 5.000 3.334 1.813 4.653 . 0 0 "[ . 1 . 2 . 3]" 1 8 1 4 SER H 1 4 SER HB3 4.000 . 4.000 3.389 2.102 4.008 0.008 9 0 "[ . 1 . 2 . 3]" 1 9 1 4 SER H 1 4 SER HB2 4.000 . 4.000 3.390 2.267 4.007 0.007 12 0 "[ . 1 . 2 . 3]" 1 10 1 5 PRO HA 1 6 ALA H 4.000 . 4.000 2.779 2.172 3.579 . 0 0 "[ . 1 . 2 . 3]" 1 11 1 5 PRO HB3 1 6 ALA H 5.000 . 5.000 3.584 2.556 4.407 . 0 0 "[ . 1 . 2 . 3]" 1 12 1 5 PRO HB2 1 6 ALA H 5.000 . 5.000 3.039 1.974 4.262 . 0 0 "[ . 1 . 2 . 3]" 1 13 1 6 ALA HA 1 7 SER H 4.000 . 4.000 2.721 2.148 3.552 . 0 0 "[ . 1 . 2 . 3]" 1 14 1 6 ALA MB 1 7 SER H 4.000 . 4.500 2.877 1.791 3.722 0.009 2 0 "[ . 1 . 2 . 3]" 1 15 1 6 ALA MB 1 8 GLY H 5.000 . 5.500 4.609 2.270 5.514 0.014 27 0 "[ . 1 . 2 . 3]" 1 16 1 7 SER HA 1 8 GLY H 4.000 . 4.000 2.823 2.152 3.575 . 0 0 "[ . 1 . 2 . 3]" 1 17 1 7 SER QB 1 8 GLY H 5.000 . 5.000 3.004 1.796 3.985 0.004 23 0 "[ . 1 . 2 . 3]" 1 18 1 8 GLY QA 1 9 PRO HD3 4.000 . 4.000 2.522 2.231 3.012 . 0 0 "[ . 1 . 2 . 3]" 1 19 1 8 GLY H 1 9 PRO QD 5.000 . 5.000 2.912 1.800 4.314 . 0 0 "[ . 1 . 2 . 3]" 1 20 1 9 PRO HA 1 10 ARG H 4.000 . 4.000 2.505 2.165 3.579 . 0 0 "[ . 1 . 2 . 3]" 1 21 1 9 PRO HB3 1 10 ARG H 5.000 . 5.000 3.926 2.826 4.665 . 0 0 "[ . 1 . 2 . 3]" 1 22 1 9 PRO HB2 1 10 ARG H 5.000 . 5.000 3.663 1.924 4.329 . 0 0 "[ . 1 . 2 . 3]" 1 23 1 9 PRO QD 1 10 ARG H 5.000 . 5.000 4.460 2.554 5.027 0.027 26 0 "[ . 1 . 2 . 3]" 1 24 1 9 PRO QG 1 10 ARG H 5.000 . 5.000 4.323 1.946 4.874 . 0 0 "[ . 1 . 2 . 3]" 1 25 1 10 ARG HA 1 10 ARG QD 4.000 . 4.000 3.384 2.135 4.065 0.065 8 0 "[ . 1 . 2 . 3]" 1 26 1 10 ARG HB3 1 12 LEU MD1 5.000 . 5.500 3.554 2.034 5.531 0.031 20 0 "[ . 1 . 2 . 3]" 1 27 1 10 ARG HB3 1 12 LEU MD2 5.000 . 5.500 3.954 2.088 5.584 0.084 12 0 "[ . 1 . 2 . 3]" 1 28 1 10 ARG HB2 1 12 LEU MD1 5.000 . 5.500 4.000 2.124 5.375 . 0 0 "[ . 1 . 2 . 3]" 1 29 1 10 ARG H 1 10 ARG QD 5.000 . 5.000 4.261 2.251 5.040 0.040 20 0 "[ . 1 . 2 . 3]" 1 30 1 10 ARG QD 1 12 LEU MD1 5.000 . 5.500 4.146 2.321 5.443 . 0 0 "[ . 1 . 2 . 3]" 1 31 1 10 ARG QD 1 12 LEU MD2 5.000 . 5.500 4.240 2.148 5.503 0.003 9 0 "[ . 1 . 2 . 3]" 1 32 1 10 ARG H 1 10 ARG HG3 5.000 . 5.000 3.868 2.077 5.024 0.024 18 0 "[ . 1 . 2 . 3]" 1 33 1 10 ARG H 1 10 ARG HG2 5.000 . 5.000 4.101 2.238 5.029 0.029 23 0 "[ . 1 . 2 . 3]" 1 34 1 11 HIS HA 1 12 LEU H 4.000 . 4.000 2.350 2.116 2.899 . 0 0 "[ . 1 . 2 . 3]" 1 35 1 11 HIS HB3 1 11 HIS HD2 4.000 . 4.000 3.701 2.961 4.002 0.002 29 0 "[ . 1 . 2 . 3]" 1 36 1 11 HIS HB2 1 11 HIS HD2 4.000 . 4.000 3.578 2.900 4.003 0.003 8 0 "[ . 1 . 2 . 3]" 1 37 1 11 HIS HB3 1 12 LEU H 5.000 . 5.000 4.459 3.856 4.668 . 0 0 "[ . 1 . 2 . 3]" 1 38 1 11 HIS HB2 1 12 LEU H 5.000 . 5.000 4.350 4.026 4.669 . 0 0 "[ . 1 . 2 . 3]" 1 39 1 11 HIS HD2 1 12 LEU MD1 5.000 . 5.500 4.111 2.278 6.014 0.514 6 1 "[ .+ 1 . 2 . 3]" 1 40 1 11 HIS HD2 1 12 LEU MD2 5.000 . 5.500 4.688 2.998 5.520 0.020 14 0 "[ . 1 . 2 . 3]" 1 41 1 11 HIS HD2 1 12 LEU H 5.000 . 5.000 3.937 2.084 5.028 0.028 13 0 "[ . 1 . 2 . 3]" 1 42 1 12 LEU HA 1 12 LEU MD1 4.000 . 4.500 2.459 2.081 4.037 . 0 0 "[ . 1 . 2 . 3]" 1 43 1 12 LEU HA 1 13 MET H 4.000 . 4.000 2.504 2.387 2.554 . 0 0 "[ . 1 . 2 . 3]" 1 44 1 12 LEU H 1 12 LEU MD1 4.000 . 4.500 2.771 1.963 3.627 . 0 0 "[ . 1 . 2 . 3]" 1 45 1 12 LEU H 1 12 LEU MD2 5.000 . 5.500 2.630 1.633 4.105 0.167 20 0 "[ . 1 . 2 . 3]" 1 46 1 12 LEU MD1 1 13 MET H 5.000 . 5.500 4.008 3.438 4.640 . 0 0 "[ . 1 . 2 . 3]" 1 47 1 12 LEU MD2 1 13 MET H 5.000 . 5.500 4.400 3.941 4.700 . 0 0 "[ . 1 . 2 . 3]" 1 48 1 12 LEU QD 1 54 PHE HZ 5.000 . 5.500 5.436 5.035 5.537 0.037 28 0 "[ . 1 . 2 . 3]" 1 49 1 12 LEU QD 1 54 PHE QE 5.000 . 6.000 4.142 3.574 4.577 . 0 0 "[ . 1 . 2 . 3]" 1 50 1 12 LEU QD 1 54 PHE QD 5.000 . 6.000 5.019 3.954 5.826 . 0 0 "[ . 1 . 2 . 3]" 1 51 1 12 LEU MD1 1 164 THR MG 6.000 . 7.000 4.652 3.374 6.285 . 0 0 "[ . 1 . 2 . 3]" 1 52 1 12 LEU MD2 1 164 THR MG 6.000 . 7.000 5.092 3.269 6.419 . 0 0 "[ . 1 . 2 . 3]" 1 53 1 12 LEU QD 1 165 PHE HA 5.000 . 5.500 2.806 2.300 3.772 . 0 0 "[ . 1 . 2 . 3]" 1 54 1 12 LEU QD 1 165 PHE QD 5.000 . 6.000 4.177 3.483 4.923 . 0 0 "[ . 1 . 2 . 3]" 1 55 1 12 LEU QD 1 165 PHE QE 5.000 . 6.000 5.245 4.586 5.863 . 0 0 "[ . 1 . 2 . 3]" 1 56 1 12 LEU MD1 1 166 VAL HA 6.000 . 6.500 4.395 3.168 5.008 . 0 0 "[ . 1 . 2 . 3]" 1 57 1 12 LEU MD2 1 166 VAL HA 6.000 . 6.500 4.119 2.642 5.085 . 0 0 "[ . 1 . 2 . 3]" 1 58 1 12 LEU MD1 1 166 VAL MG1 6.000 . 7.000 5.273 3.954 5.808 . 0 0 "[ . 1 . 2 . 3]" 1 59 1 12 LEU MD1 1 166 VAL MG2 6.000 . 7.000 5.238 4.025 5.928 . 0 0 "[ . 1 . 2 . 3]" 1 60 1 12 LEU MD2 1 166 VAL MG1 6.000 . 7.000 4.706 3.894 5.912 . 0 0 "[ . 1 . 2 . 3]" 1 61 1 12 LEU MD2 1 166 VAL MG2 6.000 . 7.000 5.104 3.905 5.943 . 0 0 "[ . 1 . 2 . 3]" 1 62 1 12 LEU MD2 1 166 VAL H 5.000 . 5.500 3.689 1.992 5.225 . 0 0 "[ . 1 . 2 . 3]" 1 63 1 12 LEU MD1 1 167 ASP H 5.000 . 5.500 4.607 3.239 5.162 . 0 0 "[ . 1 . 2 . 3]" 1 64 1 12 LEU MD2 1 167 ASP H 5.000 . 5.500 3.878 2.696 4.856 . 0 0 "[ . 1 . 2 . 3]" 1 65 1 12 LEU QD 1 168 HIS HD2 5.000 . 5.500 5.139 3.649 5.668 0.168 7 0 "[ . 1 . 2 . 3]" 1 66 1 12 LEU MD1 1 168 HIS H 5.000 . 5.500 5.315 3.307 5.678 0.178 22 0 "[ . 1 . 2 . 3]" 1 67 1 12 LEU MD2 1 168 HIS H 5.000 . 5.500 4.411 3.327 5.920 0.420 6 0 "[ . 1 . 2 . 3]" 1 68 1 12 LEU MD1 1 169 GLN QE 6.000 . 6.500 5.825 3.653 6.560 0.060 29 0 "[ . 1 . 2 . 3]" 1 69 1 12 LEU MD2 1 169 GLN QE 6.000 . 6.500 4.904 2.327 6.349 . 0 0 "[ . 1 . 2 . 3]" 1 70 1 12 LEU MD1 1 169 GLN H 6.000 3.800 6.500 6.006 3.928 6.517 0.017 13 0 "[ . 1 . 2 . 3]" 1 71 1 12 LEU MD2 1 169 GLN H 6.000 3.800 6.500 4.933 4.309 6.506 0.006 6 0 "[ . 1 . 2 . 3]" 1 72 1 12 LEU H 1 12 LEU HG 5.000 . 5.000 3.711 1.740 4.341 0.060 6 0 "[ . 1 . 2 . 3]" 1 73 1 12 LEU HG 1 13 MET H 5.000 . 5.000 4.238 3.054 5.012 0.012 12 0 "[ . 1 . 2 . 3]" 1 74 1 12 LEU HG 1 166 VAL MG1 5.000 . 5.500 5.249 4.621 5.791 0.291 28 0 "[ . 1 . 2 . 3]" 1 75 1 12 LEU HG 1 166 VAL MG2 5.000 . 5.500 5.348 4.818 5.908 0.408 6 0 "[ . 1 . 2 . 3]" 1 76 1 12 LEU H 1 166 VAL MG1 6.000 . 6.500 5.970 5.563 6.584 0.084 22 0 "[ . 1 . 2 . 3]" 1 77 1 12 LEU H 1 166 VAL MG2 6.000 . 6.500 6.693 6.510 6.826 0.326 18 0 "[ . 1 . 2 . 3]" 1 78 1 13 MET HA 1 13 MET ME 5.000 . 5.500 4.420 4.027 4.875 . 0 0 "[ . 1 . 2 . 3]" 1 79 1 13 MET HA 1 14 ASP QB 5.000 . 5.000 4.416 4.049 4.889 . 0 0 "[ . 1 . 2 . 3]" 1 80 1 13 MET HA 1 14 ASP H 5.000 . 5.000 2.352 2.162 2.468 . 0 0 "[ . 1 . 2 . 3]" 1 81 1 13 MET HA 1 17 ILE MG 5.000 . 5.500 3.931 3.363 5.584 0.084 11 0 "[ . 1 . 2 . 3]" 1 82 1 13 MET HA 1 17 ILE MD 5.000 . 5.500 5.081 2.976 5.510 0.010 19 0 "[ . 1 . 2 . 3]" 1 83 1 13 MET HA 1 54 PHE QE 4.000 . 4.500 4.364 3.792 4.523 0.023 27 0 "[ . 1 . 2 . 3]" 1 84 1 13 MET HA 1 54 PHE HZ 4.000 . 4.000 3.747 2.934 4.048 0.048 5 0 "[ . 1 . 2 . 3]" 1 85 1 13 MET HA 1 166 VAL MG1 5.000 . 5.500 5.463 5.105 5.652 0.152 22 0 "[ . 1 . 2 . 3]" 1 86 1 13 MET HA 1 166 VAL MG2 5.000 . 5.500 5.201 4.077 5.566 0.066 7 0 "[ . 1 . 2 . 3]" 1 87 1 13 MET HA 1 167 ASP H 6.000 . 6.000 5.156 4.457 5.992 . 0 0 "[ . 1 . 2 . 3]" 1 88 1 13 MET HB3 1 14 ASP H 5.000 . 5.000 3.132 2.380 4.144 . 0 0 "[ . 1 . 2 . 3]" 1 89 1 13 MET HB2 1 14 ASP H 5.000 . 5.000 3.408 2.317 4.428 . 0 0 "[ . 1 . 2 . 3]" 1 90 1 13 MET QB 1 54 PHE QD 5.000 . 5.000 4.729 4.054 5.104 0.104 24 0 "[ . 1 . 2 . 3]" 1 91 1 13 MET QB 1 54 PHE QE 5.000 . 5.500 3.871 2.966 4.460 . 0 0 "[ . 1 . 2 . 3]" 1 92 1 13 MET QB 1 54 PHE HZ 5.000 . 5.000 3.993 2.350 4.808 . 0 0 "[ . 1 . 2 . 3]" 1 93 1 13 MET QB 1 165 PHE QB 5.000 . 5.000 4.140 2.856 5.087 0.087 27 0 "[ . 1 . 2 . 3]" 1 94 1 13 MET HB3 1 166 VAL QG 5.000 . 5.500 4.071 2.539 4.948 . 0 0 "[ . 1 . 2 . 3]" 1 95 1 13 MET HB2 1 166 VAL QG 5.000 . 5.500 3.447 2.159 4.649 . 0 0 "[ . 1 . 2 . 3]" 1 96 1 13 MET H 1 13 MET ME 5.000 . 5.500 3.489 2.412 4.042 . 0 0 "[ . 1 . 2 . 3]" 1 97 1 13 MET ME 1 14 ASP H 5.000 . 5.500 5.427 5.156 5.535 0.035 21 0 "[ . 1 . 2 . 3]" 1 98 1 13 MET ME 1 17 ILE HB 5.000 . 5.500 5.245 4.883 5.531 0.031 7 0 "[ . 1 . 2 . 3]" 1 99 1 13 MET ME 1 17 ILE MG 5.000 . 6.000 3.714 3.093 5.863 . 0 0 "[ . 1 . 2 . 3]" 1 100 1 13 MET ME 1 18 PHE HA 5.000 . 5.500 3.902 2.996 4.969 . 0 0 "[ . 1 . 2 . 3]" 1 101 1 13 MET ME 1 18 PHE H 6.000 . 6.500 5.233 4.740 6.113 . 0 0 "[ . 1 . 2 . 3]" 1 102 1 13 MET ME 1 18 PHE QD 5.000 . 6.000 2.649 2.075 3.809 . 0 0 "[ . 1 . 2 . 3]" 1 103 1 13 MET ME 1 22 PHE HZ 5.000 . 5.500 5.133 4.385 5.516 0.016 9 0 "[ . 1 . 2 . 3]" 1 104 1 13 MET ME 1 22 PHE QE 5.000 . 6.000 3.681 2.832 4.392 . 0 0 "[ . 1 . 2 . 3]" 1 105 1 13 MET ME 1 32 TYR QD 4.000 . 5.000 3.053 2.381 3.748 . 0 0 "[ . 1 . 2 . 3]" 1 106 1 13 MET ME 1 32 TYR QE 5.000 . 6.000 2.684 2.120 3.675 . 0 0 "[ . 1 . 2 . 3]" 1 107 1 13 MET ME 1 34 CYS QB 6.000 . 6.500 3.665 3.019 4.647 . 0 0 "[ . 1 . 2 . 3]" 1 108 1 13 MET ME 1 53 GLY H 6.000 . 7.000 6.927 6.415 7.055 0.055 30 0 "[ . 1 . 2 . 3]" 1 109 1 13 MET ME 1 54 PHE HA 5.000 . 5.500 4.974 4.501 5.403 . 0 0 "[ . 1 . 2 . 3]" 1 110 1 13 MET ME 1 54 PHE HB3 5.000 . 5.500 3.115 2.761 3.642 . 0 0 "[ . 1 . 2 . 3]" 1 111 1 13 MET ME 1 54 PHE HB2 5.000 . 5.500 3.113 2.580 3.672 . 0 0 "[ . 1 . 2 . 3]" 1 112 1 13 MET ME 1 54 PHE H 5.000 . 5.500 5.253 4.894 5.509 0.009 24 0 "[ . 1 . 2 . 3]" 1 113 1 13 MET ME 1 54 PHE HZ 5.000 . 5.500 4.139 3.236 5.008 . 0 0 "[ . 1 . 2 . 3]" 1 114 1 13 MET ME 1 54 PHE QE 5.000 . 6.000 3.389 2.812 4.092 . 0 0 "[ . 1 . 2 . 3]" 1 115 1 13 MET ME 1 54 PHE QD 5.000 . 6.000 2.892 2.462 3.306 . 0 0 "[ . 1 . 2 . 3]" 1 116 1 13 MET ME 1 55 LEU H 6.000 . 6.500 5.533 4.730 5.919 . 0 0 "[ . 1 . 2 . 3]" 1 117 1 13 MET ME 1 166 VAL HA 5.000 . 5.500 4.726 3.985 5.267 . 0 0 "[ . 1 . 2 . 3]" 1 118 1 13 MET ME 1 166 VAL QG 5.000 . 6.000 3.614 3.275 4.191 . 0 0 "[ . 1 . 2 . 3]" 1 119 1 13 MET ME 1 167 ASP H 6.000 . 6.500 6.336 5.686 6.600 0.100 11 0 "[ . 1 . 2 . 3]" 1 120 1 13 MET QG 1 17 ILE MG 6.000 . 6.500 3.059 2.057 5.979 . 0 0 "[ . 1 . 2 . 3]" 1 121 1 13 MET QG 1 54 PHE HZ 5.000 . 5.500 3.306 2.222 5.154 . 0 0 "[ . 1 . 2 . 3]" 1 122 1 13 MET QG 1 166 VAL QG 5.000 . 6.000 3.647 2.125 4.773 . 0 0 "[ . 1 . 2 . 3]" 1 123 1 13 MET H 1 14 ASP H 5.000 . 5.000 4.613 4.514 4.653 . 0 0 "[ . 1 . 2 . 3]" 1 124 1 13 MET H 1 54 PHE QE 4.000 . 4.500 3.790 2.665 4.466 . 0 0 "[ . 1 . 2 . 3]" 1 125 1 13 MET H 1 54 PHE QD 5.000 . 5.500 5.045 4.366 5.509 0.009 22 0 "[ . 1 . 2 . 3]" 1 126 1 13 MET H 1 54 PHE HZ 5.000 . 5.500 4.147 2.880 4.997 . 0 0 "[ . 1 . 2 . 3]" 1 127 1 13 MET H 1 166 VAL MG1 6.000 . 6.500 4.682 4.308 5.189 . 0 0 "[ . 1 . 2 . 3]" 1 128 1 13 MET H 1 166 VAL MG2 6.000 . 6.500 3.936 3.361 4.399 . 0 0 "[ . 1 . 2 . 3]" 1 129 1 13 MET H 1 167 ASP H 5.000 . 5.000 4.133 3.336 4.538 . 0 0 "[ . 1 . 2 . 3]" 1 130 1 14 ASP HA 1 17 ILE MG 5.000 . 5.500 5.404 4.723 5.571 0.071 23 0 "[ . 1 . 2 . 3]" 1 131 1 14 ASP H 1 14 ASP HB3 4.000 . 4.000 3.444 3.090 3.616 . 0 0 "[ . 1 . 2 . 3]" 1 132 1 14 ASP H 1 17 ILE HB 5.000 . 5.000 2.688 2.168 5.177 0.177 7 0 "[ . 1 . 2 . 3]" 1 133 1 14 ASP H 1 17 ILE MD 4.000 . 4.500 4.127 1.928 4.512 0.012 4 0 "[ . 1 . 2 . 3]" 1 134 1 14 ASP H 1 17 ILE HG13 5.000 . 5.000 2.895 2.390 3.365 . 0 0 "[ . 1 . 2 . 3]" 1 135 1 14 ASP H 1 17 ILE HG12 5.000 . 5.000 4.030 2.486 4.618 . 0 0 "[ . 1 . 2 . 3]" 1 136 1 14 ASP H 1 17 ILE MG 5.000 . 5.500 3.353 3.155 3.867 . 0 0 "[ . 1 . 2 . 3]" 1 137 1 14 ASP H 1 17 ILE H 5.000 . 5.000 4.167 3.929 4.611 . 0 0 "[ . 1 . 2 . 3]" 1 138 1 15 PRO HA 1 162 TRP HE1 6.000 . 6.500 6.552 6.347 6.643 0.143 7 0 "[ . 1 . 2 . 3]" 1 139 1 15 PRO HA 1 162 TRP HH2 4.000 . 4.500 2.571 2.328 3.804 . 0 0 "[ . 1 . 2 . 3]" 1 140 1 15 PRO HA 1 162 TRP HZ2 5.000 . 5.000 4.256 3.987 5.035 0.035 22 0 "[ . 1 . 2 . 3]" 1 141 1 15 PRO HA 1 162 TRP HZ3 5.000 . 5.000 3.372 3.125 3.827 . 0 0 "[ . 1 . 2 . 3]" 1 142 1 15 PRO HA 1 166 VAL QG 4.000 . 4.500 2.212 2.051 2.371 . 0 0 "[ . 1 . 2 . 3]" 1 143 1 15 PRO QB 1 16 HIS H 6.000 . 6.000 2.270 2.112 3.058 . 0 0 "[ . 1 . 2 . 3]" 1 144 1 15 PRO HB3 1 162 TRP HH2 5.000 . 5.000 2.339 2.327 2.352 . 0 0 "[ . 1 . 2 . 3]" 1 145 1 15 PRO HB2 1 162 TRP HH2 5.000 . 5.000 3.829 3.626 3.943 . 0 0 "[ . 1 . 2 . 3]" 1 146 1 15 PRO QB 1 166 VAL QG 6.000 . 6.000 3.284 2.647 3.511 . 0 0 "[ . 1 . 2 . 3]" 1 147 1 15 PRO QD 1 16 HIS H 5.000 . 5.000 3.208 3.112 3.278 . 0 0 "[ . 1 . 2 . 3]" 1 148 1 15 PRO QD 1 166 VAL QG 5.000 . 5.500 2.750 2.464 3.154 . 0 0 "[ . 1 . 2 . 3]" 1 149 1 15 PRO QG 1 166 VAL QG 5.000 . 5.500 2.910 2.085 3.253 . 0 0 "[ . 1 . 2 . 3]" 1 150 1 15 PRO QG 1 162 TRP HH2 5.000 . 5.000 3.770 3.505 4.076 . 0 0 "[ . 1 . 2 . 3]" 1 151 1 15 PRO QG 1 162 TRP HZ2 5.000 . 5.500 4.101 3.859 4.502 . 0 0 "[ . 1 . 2 . 3]" 1 152 1 15 PRO QG 1 168 HIS H 5.000 . 5.000 4.935 3.809 5.029 0.029 21 0 "[ . 1 . 2 . 3]" 1 153 1 16 HIS H 1 16 HIS HA 3.000 . 3.000 2.821 2.766 2.878 . 0 0 "[ . 1 . 2 . 3]" 1 154 1 16 HIS H 1 16 HIS HB3 4.000 . 4.000 2.532 2.023 3.311 . 0 0 "[ . 1 . 2 . 3]" 1 155 1 16 HIS QB 1 17 ILE MG 5.000 . 5.500 5.228 3.026 5.655 0.155 3 0 "[ . 1 . 2 . 3]" 1 156 1 16 HIS HB3 1 17 ILE H 5.000 . 5.000 2.889 2.316 4.064 . 0 0 "[ . 1 . 2 . 3]" 1 157 1 16 HIS HB2 1 17 ILE H 5.000 . 5.000 3.636 2.625 3.976 . 0 0 "[ . 1 . 2 . 3]" 1 158 1 16 HIS H 1 16 HIS HD2 5.000 . 5.000 4.569 3.191 5.171 0.171 23 0 "[ . 1 . 2 . 3]" 1 159 1 16 HIS HD2 1 17 ILE MD 4.000 . 4.500 3.923 3.114 4.960 0.460 7 0 "[ . 1 . 2 . 3]" 1 160 1 16 HIS HD2 1 17 ILE MG 5.000 . 5.500 4.827 2.053 5.519 0.019 6 0 "[ . 1 . 2 . 3]" 1 161 1 16 HIS H 1 17 ILE MD 6.000 . 6.500 5.983 5.183 6.345 . 0 0 "[ . 1 . 2 . 3]" 1 162 1 16 HIS H 1 17 ILE QG 6.000 . 6.000 4.516 3.641 4.969 . 0 0 "[ . 1 . 2 . 3]" 1 163 1 16 HIS H 1 17 ILE H 4.000 . 4.000 2.765 2.623 2.926 . 0 0 "[ . 1 . 2 . 3]" 1 164 1 16 HIS H 1 18 PHE H 5.000 . 5.000 4.160 3.629 4.541 . 0 0 "[ . 1 . 2 . 3]" 1 165 1 17 ILE HA 1 17 ILE MD 4.000 . 4.500 2.378 2.249 4.103 . 0 0 "[ . 1 . 2 . 3]" 1 166 1 17 ILE HA 1 18 PHE H 5.000 . 5.000 3.529 3.438 3.576 . 0 0 "[ . 1 . 2 . 3]" 1 167 1 17 ILE HA 1 20 SER QB 5.000 . 5.000 3.035 2.283 3.793 . 0 0 "[ . 1 . 2 . 3]" 1 168 1 17 ILE HA 1 20 SER H 5.000 . 5.000 3.980 3.489 4.416 . 0 0 "[ . 1 . 2 . 3]" 1 169 1 17 ILE HA 1 32 TYR QE 6.000 . 6.500 6.293 5.581 6.544 0.044 28 0 "[ . 1 . 2 . 3]" 1 170 1 17 ILE HB 1 18 PHE H 6.000 . 6.000 2.816 2.343 4.163 . 0 0 "[ . 1 . 2 . 3]" 1 171 1 17 ILE H 1 17 ILE MD 4.000 . 4.500 3.809 3.595 3.984 . 0 0 "[ . 1 . 2 . 3]" 1 172 1 17 ILE MD 1 18 PHE H 5.000 . 5.500 4.729 3.332 4.898 . 0 0 "[ . 1 . 2 . 3]" 1 173 1 17 ILE MD 1 21 ASN H 5.000 . 5.500 5.230 4.136 5.595 0.095 11 0 "[ . 1 . 2 . 3]" 1 174 1 17 ILE MD 1 32 TYR QE 5.000 . 6.000 4.760 2.645 5.382 . 0 0 "[ . 1 . 2 . 3]" 1 175 1 17 ILE MD 1 54 PHE QD 6.000 . 7.000 6.587 4.513 7.020 0.020 1 0 "[ . 1 . 2 . 3]" 1 176 1 17 ILE H 1 17 ILE HG13 5.000 . 5.000 3.304 2.557 3.491 . 0 0 "[ . 1 . 2 . 3]" 1 177 1 17 ILE H 1 17 ILE HG12 5.000 . 5.000 2.359 1.974 3.237 . 0 0 "[ . 1 . 2 . 3]" 1 178 1 17 ILE HG12 1 18 PHE H 6.000 . 6.000 4.469 3.262 4.702 . 0 0 "[ . 1 . 2 . 3]" 1 179 1 17 ILE MG 1 18 PHE H 5.000 . 5.500 3.253 2.779 4.136 . 0 0 "[ . 1 . 2 . 3]" 1 180 1 17 ILE MG 1 21 ASN H 5.000 . 5.500 4.272 3.936 5.451 . 0 0 "[ . 1 . 2 . 3]" 1 181 1 17 ILE MG 1 21 ASN HD22 5.000 . 5.500 4.843 2.304 5.515 0.015 1 0 "[ . 1 . 2 . 3]" 1 182 1 17 ILE MG 1 32 TYR QD 5.000 . 6.000 5.061 4.530 6.081 0.081 7 0 "[ . 1 . 2 . 3]" 1 183 1 17 ILE MG 1 32 TYR QE 5.000 . 6.000 3.727 3.134 4.658 . 0 0 "[ . 1 . 2 . 3]" 1 184 1 17 ILE H 1 18 PHE H 4.000 . 4.000 2.849 2.677 3.003 . 0 0 "[ . 1 . 2 . 3]" 1 185 1 17 ILE H 1 19 THR H 6.000 . 6.000 4.705 4.541 4.830 . 0 0 "[ . 1 . 2 . 3]" 1 186 1 18 PHE HA 1 19 THR H 5.000 . 5.000 3.575 3.567 3.581 . 0 0 "[ . 1 . 2 . 3]" 1 187 1 18 PHE HA 1 21 ASN H 6.000 . 6.000 3.511 3.193 4.185 . 0 0 "[ . 1 . 2 . 3]" 1 188 1 18 PHE HA 1 22 PHE QD 4.000 . 4.500 3.108 2.668 3.613 . 0 0 "[ . 1 . 2 . 3]" 1 189 1 18 PHE HA 1 22 PHE QE 5.000 . 5.500 4.190 3.701 4.713 . 0 0 "[ . 1 . 2 . 3]" 1 190 1 18 PHE HA 1 166 VAL QG 6.000 . 6.500 4.161 3.970 4.541 . 0 0 "[ . 1 . 2 . 3]" 1 191 1 18 PHE HB3 1 19 THR H 5.000 . 5.000 2.163 2.090 2.327 . 0 0 "[ . 1 . 2 . 3]" 1 192 1 18 PHE HB2 1 19 THR H 5.000 . 5.000 3.625 3.488 3.722 . 0 0 "[ . 1 . 2 . 3]" 1 193 1 18 PHE HB3 1 166 VAL QG 5.000 . 5.500 2.592 2.271 2.958 . 0 0 "[ . 1 . 2 . 3]" 1 194 1 18 PHE H 1 18 PHE QD 5.000 . 5.500 4.183 4.156 4.207 . 0 0 "[ . 1 . 2 . 3]" 1 195 1 18 PHE QD 1 19 THR H 5.000 . 5.500 2.774 2.530 3.135 . 0 0 "[ . 1 . 2 . 3]" 1 196 1 18 PHE QD 1 19 THR MG 5.000 . 6.000 3.251 2.434 3.862 . 0 0 "[ . 1 . 2 . 3]" 1 197 1 18 PHE QD 1 22 PHE QD 5.000 . 6.000 3.519 2.984 4.201 . 0 0 "[ . 1 . 2 . 3]" 1 198 1 18 PHE QD 1 166 VAL MG1 5.000 . 6.000 4.580 4.086 4.890 . 0 0 "[ . 1 . 2 . 3]" 1 199 1 18 PHE QD 1 166 VAL MG2 5.000 . 6.000 2.614 2.157 3.170 . 0 0 "[ . 1 . 2 . 3]" 1 200 1 18 PHE QD 1 173 PHE QD 5.000 . 6.000 4.908 4.335 5.409 . 0 0 "[ . 1 . 2 . 3]" 1 201 1 18 PHE HZ 1 173 PHE QD 5.000 . 6.000 5.729 5.016 6.030 0.030 5 0 "[ . 1 . 2 . 3]" 1 202 1 18 PHE HZ 1 173 PHE QE 5.000 . 6.000 5.541 4.655 6.032 0.032 8 0 "[ . 1 . 2 . 3]" 1 203 1 18 PHE H 1 19 THR H 4.000 . 4.000 2.740 2.519 3.035 . 0 0 "[ . 1 . 2 . 3]" 1 204 1 18 PHE H 1 20 SER H 5.000 . 5.000 3.910 3.555 4.704 . 0 0 "[ . 1 . 2 . 3]" 1 205 1 18 PHE H 1 166 VAL MG1 5.000 . 5.500 4.741 4.457 5.024 . 0 0 "[ . 1 . 2 . 3]" 1 206 1 18 PHE H 1 166 VAL MG2 6.000 . 6.500 3.990 3.210 4.559 . 0 0 "[ . 1 . 2 . 3]" 1 207 1 19 THR HA 1 20 SER H 5.000 . 5.000 3.511 3.456 3.578 . 0 0 "[ . 1 . 2 . 3]" 1 208 1 19 THR HA 1 21 ASN H 6.000 . 6.000 4.676 3.944 5.228 . 0 0 "[ . 1 . 2 . 3]" 1 209 1 19 THR HA 1 173 PHE QE 5.000 . 5.500 4.836 3.715 5.537 0.037 5 0 "[ . 1 . 2 . 3]" 1 210 1 19 THR HB 1 166 VAL QG 6.000 . 6.500 6.428 5.968 6.563 0.063 8 0 "[ . 1 . 2 . 3]" 1 211 1 19 THR H 1 19 THR MG 4.000 . 4.500 3.177 2.028 3.595 . 0 0 "[ . 1 . 2 . 3]" 1 212 1 19 THR MG 1 20 SER H 5.000 . 5.500 4.115 3.768 4.322 . 0 0 "[ . 1 . 2 . 3]" 1 213 1 19 THR MG 1 22 PHE HB3 5.000 . 5.500 5.236 4.179 5.514 0.014 6 0 "[ . 1 . 2 . 3]" 1 214 1 19 THR MG 1 162 TRP HE3 5.000 . 5.500 4.351 3.260 4.999 . 0 0 "[ . 1 . 2 . 3]" 1 215 1 19 THR MG 1 162 TRP HZ3 5.000 . 5.500 3.121 2.271 3.661 . 0 0 "[ . 1 . 2 . 3]" 1 216 1 19 THR MG 1 166 VAL MG1 5.000 . 6.000 5.752 4.814 6.028 0.028 11 0 "[ . 1 . 2 . 3]" 1 217 1 19 THR MG 1 166 VAL MG2 5.000 . 6.000 5.332 4.368 5.900 . 0 0 "[ . 1 . 2 . 3]" 1 218 1 19 THR MG 1 173 PHE QD 5.000 . 6.000 4.060 2.910 5.140 . 0 0 "[ . 1 . 2 . 3]" 1 219 1 19 THR MG 1 173 PHE QE 5.000 . 6.000 3.566 2.774 4.389 . 0 0 "[ . 1 . 2 . 3]" 1 220 1 19 THR MG 1 173 PHE HZ 6.000 . 6.500 4.953 4.014 6.086 . 0 0 "[ . 1 . 2 . 3]" 1 221 1 19 THR MG 1 176 TRP HE3 4.000 . 4.500 4.265 3.505 4.528 0.028 9 0 "[ . 1 . 2 . 3]" 1 222 1 19 THR MG 1 176 TRP HZ3 5.000 . 5.500 3.167 2.236 4.453 . 0 0 "[ . 1 . 2 . 3]" 1 223 1 19 THR H 1 20 SER H 4.000 . 4.000 2.842 2.694 3.041 . 0 0 "[ . 1 . 2 . 3]" 1 224 1 19 THR H 1 21 ASN H 5.000 . 5.000 4.444 3.894 4.954 . 0 0 "[ . 1 . 2 . 3]" 1 225 1 19 THR H 1 166 VAL QG 5.000 . 5.500 4.196 3.889 4.473 . 0 0 "[ . 1 . 2 . 3]" 1 226 1 20 SER QB 1 21 ASN H 5.000 . 5.000 2.631 2.076 3.416 . 0 0 "[ . 1 . 2 . 3]" 1 227 1 20 SER H 1 21 ASN H 4.000 . 4.000 2.669 2.318 3.136 . 0 0 "[ . 1 . 2 . 3]" 1 228 1 20 SER H 1 22 PHE H 5.000 . 5.000 3.789 3.441 4.526 . 0 0 "[ . 1 . 2 . 3]" 1 229 1 21 ASN QB 1 22 PHE QD 5.000 . 5.500 2.786 2.301 4.389 . 0 0 "[ . 1 . 2 . 3]" 1 230 1 21 ASN QB 1 22 PHE H 5.000 . 5.000 3.095 2.441 3.852 . 0 0 "[ . 1 . 2 . 3]" 1 231 1 21 ASN QD 1 32 TYR QE 5.000 . 5.500 2.778 1.826 4.145 . 0 0 "[ . 1 . 2 . 3]" 1 232 1 21 ASN QD 1 97 SER HG 5.000 . 5.000 4.506 2.895 5.006 0.006 29 0 "[ . 1 . 2 . 3]" 1 233 1 21 ASN H 1 22 PHE H 4.000 . 4.000 2.601 2.338 2.808 . 0 0 "[ . 1 . 2 . 3]" 1 234 1 21 ASN H 1 23 ASN H 6.000 . 6.000 4.147 3.729 4.545 . 0 0 "[ . 1 . 2 . 3]" 1 235 1 22 PHE QD 1 127 ALA MB 5.000 . 6.000 2.842 2.202 3.379 . 0 0 "[ . 1 . 2 . 3]" 1 236 1 22 PHE QD 1 153 MET ME 5.000 . 6.000 4.030 3.076 4.642 . 0 0 "[ . 1 . 2 . 3]" 1 237 1 22 PHE QE 1 97 SER QB 5.000 . 5.500 2.781 2.368 3.530 . 0 0 "[ . 1 . 2 . 3]" 1 238 1 22 PHE QE 1 97 SER H 5.000 . 5.500 4.466 4.004 5.139 . 0 0 "[ . 1 . 2 . 3]" 1 239 1 22 PHE QE 1 127 ALA MB 5.000 . 6.000 2.437 2.133 2.907 . 0 0 "[ . 1 . 2 . 3]" 1 240 1 22 PHE QE 1 153 MET ME 5.000 . 6.000 3.226 2.469 3.953 . 0 0 "[ . 1 . 2 . 3]" 1 241 1 22 PHE HZ 1 34 CYS H 5.000 . 5.000 4.691 4.133 5.012 0.012 3 0 "[ . 1 . 2 . 3]" 1 242 1 22 PHE HZ 1 96 ILE HA 5.000 . 5.000 4.777 4.278 5.010 0.010 13 0 "[ . 1 . 2 . 3]" 1 243 1 22 PHE HZ 1 97 SER H 5.000 . 5.500 4.566 3.887 5.127 . 0 0 "[ . 1 . 2 . 3]" 1 244 1 22 PHE H 1 23 ASN H 5.000 . 5.000 2.374 1.829 2.945 . 0 0 "[ . 1 . 2 . 3]" 1 245 1 22 PHE H 1 24 ASN H 6.000 . 6.000 5.589 4.317 6.036 0.036 8 0 "[ . 1 . 2 . 3]" 1 246 1 23 ASN H 1 26 ILE MG 5.000 . 5.500 3.844 3.114 5.523 0.023 9 0 "[ . 1 . 2 . 3]" 1 247 1 24 ASN HA 1 24 ASN HB3 3.000 . 3.000 2.776 2.243 3.025 0.025 6 0 "[ . 1 . 2 . 3]" 1 248 1 24 ASN HA 1 24 ASN HB2 3.000 . 3.000 2.607 2.235 3.025 0.025 19 0 "[ . 1 . 2 . 3]" 1 249 1 24 ASN HA 1 24 ASN HD22 5.000 . 5.000 4.426 3.267 5.093 0.093 8 0 "[ . 1 . 2 . 3]" 1 250 1 24 ASN HB3 1 24 ASN HD22 4.000 . 4.000 3.767 3.511 4.077 0.077 8 0 "[ . 1 . 2 . 3]" 1 251 1 24 ASN HB2 1 24 ASN HD22 4.000 . 4.000 3.790 3.511 4.107 0.107 26 0 "[ . 1 . 2 . 3]" 1 252 1 24 ASN H 1 24 ASN HD21 5.000 . 5.000 4.143 1.815 5.047 0.047 16 0 "[ . 1 . 2 . 3]" 1 253 1 24 ASN H 1 25 GLY H 5.000 . 5.000 4.382 3.480 4.656 . 0 0 "[ . 1 . 2 . 3]" 1 254 1 24 ASN H 1 176 TRP HH2 5.000 . 5.000 4.172 3.062 5.011 0.011 22 0 "[ . 1 . 2 . 3]" 1 255 1 24 ASN H 1 176 TRP HZ2 6.000 . 6.000 4.419 2.495 5.995 . 0 0 "[ . 1 . 2 . 3]" 1 256 1 25 GLY H 1 26 ILE H 5.000 . 5.000 3.223 2.070 4.602 . 0 0 "[ . 1 . 2 . 3]" 1 257 1 25 GLY H 1 186 LEU QD 5.000 . 5.500 5.371 4.758 5.520 0.020 8 0 "[ . 1 . 2 . 3]" 1 258 1 26 ILE HA 1 27 GLY H 5.000 . 5.000 2.627 2.355 2.780 . 0 0 "[ . 1 . 2 . 3]" 1 259 1 26 ILE HB 1 27 GLY H 5.000 . 5.000 2.070 1.795 3.960 0.005 21 0 "[ . 1 . 2 . 3]" 1 260 1 26 ILE H 1 26 ILE MD 5.000 . 5.500 3.104 1.718 4.271 0.082 22 0 "[ . 1 . 2 . 3]" 1 261 1 26 ILE MD 1 27 GLY H 5.000 . 5.500 3.382 2.372 4.283 . 0 0 "[ . 1 . 2 . 3]" 1 262 1 26 ILE MD 1 28 ARG HE 5.000 . 5.500 4.601 3.287 5.632 0.132 21 0 "[ . 1 . 2 . 3]" 1 263 1 26 ILE MD 1 98 TRP HE3 5.000 . 5.500 5.233 4.357 5.582 0.082 9 0 "[ . 1 . 2 . 3]" 1 264 1 26 ILE MD 1 130 TYR QD 6.000 . 7.000 3.240 2.230 5.142 . 0 0 "[ . 1 . 2 . 3]" 1 265 1 26 ILE H 1 26 ILE HG13 5.000 . 5.000 2.299 1.803 4.349 . 0 0 "[ . 1 . 2 . 3]" 1 266 1 26 ILE H 1 26 ILE HG12 5.000 . 5.000 2.912 1.812 4.510 . 0 0 "[ . 1 . 2 . 3]" 1 267 1 26 ILE HG13 1 27 GLY H 5.000 . 5.000 4.012 2.399 4.671 . 0 0 "[ . 1 . 2 . 3]" 1 268 1 26 ILE HG12 1 27 GLY H 5.000 . 5.000 4.372 2.098 5.010 0.010 24 0 "[ . 1 . 2 . 3]" 1 269 1 26 ILE H 1 26 ILE MG 4.000 . 4.500 3.065 2.250 3.601 . 0 0 "[ . 1 . 2 . 3]" 1 270 1 26 ILE MG 1 27 GLY H 4.000 . 4.500 3.260 2.803 3.803 . 0 0 "[ . 1 . 2 . 3]" 1 271 1 26 ILE H 1 27 GLY H 5.000 . 5.000 4.416 4.311 4.651 . 0 0 "[ . 1 . 2 . 3]" 1 272 1 27 GLY HA3 1 28 ARG H 5.000 . 5.000 3.187 2.150 3.576 . 0 0 "[ . 1 . 2 . 3]" 1 273 1 27 GLY H 1 98 TRP HH2 5.000 . 5.000 4.870 4.007 5.086 0.086 21 0 "[ . 1 . 2 . 3]" 1 274 1 27 GLY H 1 98 TRP HZ2 5.000 . 5.000 3.871 2.872 4.905 . 0 0 "[ . 1 . 2 . 3]" 1 275 1 28 ARG H 1 30 LYS H 6.000 . 6.000 5.174 4.214 6.045 0.045 21 0 "[ . 1 . 2 . 3]" 1 276 1 28 ARG HE 1 31 THR MG 5.000 . 5.000 4.989 4.699 5.108 0.108 24 0 "[ . 1 . 2 . 3]" 1 277 1 28 ARG H 1 98 TRP HE1 6.000 . 6.000 5.565 3.898 6.318 0.318 21 0 "[ . 1 . 2 . 3]" 1 278 1 29 HIS HB3 1 30 LYS H 5.000 . 5.000 3.732 1.882 4.672 . 0 0 "[ . 1 . 2 . 3]" 1 279 1 30 LYS HA 1 31 THR H 4.000 . 4.000 2.662 2.147 3.144 . 0 0 "[ . 1 . 2 . 3]" 1 280 1 30 LYS H 1 30 LYS HB3 4.000 . 4.000 3.432 2.919 3.907 . 0 0 "[ . 1 . 2 . 3]" 1 281 1 30 LYS H 1 30 LYS HB2 4.000 . 4.000 3.238 2.235 4.031 0.031 30 0 "[ . 1 . 2 . 3]" 1 282 1 30 LYS QB 1 32 TYR QD 5.000 . 5.000 4.011 3.146 4.599 . 0 0 "[ . 1 . 2 . 3]" 1 283 1 30 LYS QB 1 32 TYR QE 5.000 . 5.000 4.169 3.056 5.005 0.005 9 0 "[ . 1 . 2 . 3]" 1 284 1 30 LYS QE 1 32 TYR QE 4.000 . 4.000 3.299 2.181 4.015 0.015 3 0 "[ . 1 . 2 . 3]" 1 285 1 30 LYS H 1 98 TRP HD1 6.000 . 6.000 5.912 5.207 6.212 0.212 21 0 "[ . 1 . 2 . 3]" 1 286 1 30 LYS H 1 98 TRP HE1 6.000 . 6.000 4.368 3.600 4.978 . 0 0 "[ . 1 . 2 . 3]" 1 287 1 31 THR H 1 31 THR MG 4.000 . 4.500 2.017 1.679 3.732 0.121 9 0 "[ . 1 . 2 . 3]" 1 288 1 31 THR MG 1 32 TYR H 5.000 . 5.500 3.920 2.256 4.320 . 0 0 "[ . 1 . 2 . 3]" 1 289 1 31 THR MG 1 71 ALA MB 4.000 . 5.000 4.181 2.467 5.019 0.019 26 0 "[ . 1 . 2 . 3]" 1 290 1 31 THR MG 1 71 ALA H 5.000 . 5.500 4.505 3.058 5.163 . 0 0 "[ . 1 . 2 . 3]" 1 291 1 31 THR MG 1 72 GLU H 6.000 . 6.500 6.021 4.594 6.536 0.036 2 0 "[ . 1 . 2 . 3]" 1 292 1 31 THR MG 1 97 SER HG 5.000 . 5.500 4.969 3.658 5.454 . 0 0 "[ . 1 . 2 . 3]" 1 293 1 31 THR MG 1 98 TRP HD1 4.000 . 4.500 3.781 3.309 4.624 0.124 17 0 "[ . 1 . 2 . 3]" 1 294 1 31 THR MG 1 98 TRP H 4.000 . 4.500 4.297 2.649 4.554 0.054 9 0 "[ . 1 . 2 . 3]" 1 295 1 31 THR H 1 32 TYR H 6.000 . 6.000 4.605 4.390 4.658 . 0 0 "[ . 1 . 2 . 3]" 1 296 1 31 THR H 1 57 ASN H 4.000 . 4.000 3.986 3.821 4.080 0.080 9 0 "[ . 1 . 2 . 3]" 1 297 1 31 THR H 1 57 ASN QD 5.000 . 5.000 3.461 1.769 4.952 0.031 2 0 "[ . 1 . 2 . 3]" 1 298 1 31 THR H 1 98 TRP HD1 6.000 . 6.000 5.092 4.626 5.797 . 0 0 "[ . 1 . 2 . 3]" 1 299 1 31 THR H 1 98 TRP HE3 6.000 . 6.000 5.565 5.118 5.899 . 0 0 "[ . 1 . 2 . 3]" 1 300 1 31 THR H 1 98 TRP HZ2 6.000 . 6.000 5.088 4.234 6.014 0.014 4 0 "[ . 1 . 2 . 3]" 1 301 1 31 THR H 1 98 TRP HZ3 6.000 . 6.000 6.119 6.028 6.735 0.735 21 1 "[ . 1 . 2+ . 3]" 1 302 1 32 TYR HA 1 32 TYR QD 4.000 . 4.500 2.784 2.457 2.949 . 0 0 "[ . 1 . 2 . 3]" 1 303 1 32 TYR HA 1 32 TYR QE 6.000 . 6.500 4.292 4.165 4.372 . 0 0 "[ . 1 . 2 . 3]" 1 304 1 32 TYR HA 1 33 LEU H 4.000 . 4.000 2.228 2.178 2.274 . 0 0 "[ . 1 . 2 . 3]" 1 305 1 32 TYR HB3 1 33 LEU H 6.000 . 6.000 3.179 2.914 3.441 . 0 0 "[ . 1 . 2 . 3]" 1 306 1 32 TYR HB2 1 33 LEU H 6.000 . 6.000 4.281 4.155 4.399 . 0 0 "[ . 1 . 2 . 3]" 1 307 1 32 TYR QB 1 97 SER HG 5.000 . 5.000 2.155 1.813 2.621 . 0 0 "[ . 1 . 2 . 3]" 1 308 1 32 TYR H 1 32 TYR QD 5.000 . 5.500 3.577 3.147 3.856 . 0 0 "[ . 1 . 2 . 3]" 1 309 1 32 TYR QD 1 33 LEU H 5.000 . 5.500 3.311 2.502 3.764 . 0 0 "[ . 1 . 2 . 3]" 1 310 1 32 TYR QD 1 54 PHE QD 5.000 . 6.000 3.749 3.069 4.346 . 0 0 "[ . 1 . 2 . 3]" 1 311 1 32 TYR QD 1 54 PHE QE 5.000 . 6.000 5.423 4.899 5.994 . 0 0 "[ . 1 . 2 . 3]" 1 312 1 32 TYR QD 1 54 PHE HA 6.000 . 6.500 5.421 4.804 6.223 . 0 0 "[ . 1 . 2 . 3]" 1 313 1 32 TYR QD 1 55 LEU H 5.000 . 5.500 4.797 3.804 5.507 0.007 8 0 "[ . 1 . 2 . 3]" 1 314 1 32 TYR QD 1 97 SER HG 5.000 . 5.500 4.040 3.514 4.400 . 0 0 "[ . 1 . 2 . 3]" 1 315 1 32 TYR QE 1 54 PHE QD 5.000 . 6.000 2.532 2.328 3.111 . 0 0 "[ . 1 . 2 . 3]" 1 316 1 32 TYR QE 1 54 PHE QE 5.000 . 6.000 3.518 3.084 4.039 . 0 0 "[ . 1 . 2 . 3]" 1 317 1 32 TYR QE 1 54 PHE HZ 5.000 . 5.500 5.448 4.967 5.577 0.077 3 0 "[ . 1 . 2 . 3]" 1 318 1 32 TYR QE 1 56 HIS H 6.000 . 6.500 5.737 4.649 6.469 . 0 0 "[ . 1 . 2 . 3]" 1 319 1 32 TYR QE 1 97 SER HG 6.000 . 6.500 6.170 5.775 6.473 . 0 0 "[ . 1 . 2 . 3]" 1 320 1 32 TYR H 1 97 SER H 5.000 . 5.000 3.237 2.894 3.511 . 0 0 "[ . 1 . 2 . 3]" 1 321 1 33 LEU HA 1 33 LEU MD1 4.000 . 4.500 2.864 2.096 3.717 . 0 0 "[ . 1 . 2 . 3]" 1 322 1 33 LEU HA 1 33 LEU MD2 4.000 . 4.500 3.253 2.070 3.828 . 0 0 "[ . 1 . 2 . 3]" 1 323 1 33 LEU HA 1 34 CYS H 3.000 . 3.000 2.150 2.135 2.169 . 0 0 "[ . 1 . 2 . 3]" 1 324 1 33 LEU HA 1 97 SER H 5.000 . 5.000 4.086 3.867 4.288 . 0 0 "[ . 1 . 2 . 3]" 1 325 1 33 LEU H 1 33 LEU HB3 4.000 . 4.000 2.751 2.608 2.970 . 0 0 "[ . 1 . 2 . 3]" 1 326 1 33 LEU H 1 33 LEU HB2 4.000 . 4.000 3.264 2.968 3.477 . 0 0 "[ . 1 . 2 . 3]" 1 327 1 33 LEU QB 1 34 CYS H 5.000 . 5.000 3.877 3.805 3.941 . 0 0 "[ . 1 . 2 . 3]" 1 328 1 33 LEU QB 1 71 ALA MB 5.000 . 5.500 2.279 1.942 3.051 . 0 0 "[ . 1 . 2 . 3]" 1 329 1 33 LEU QB 1 96 ILE MD 5.000 . 5.500 4.692 4.241 5.321 . 0 0 "[ . 1 . 2 . 3]" 1 330 1 33 LEU QD 1 34 CYS H 5.000 . 5.500 2.361 1.924 3.360 . 0 0 "[ . 1 . 2 . 3]" 1 331 1 33 LEU QD 1 35 TYR HA 5.000 . 5.500 3.527 3.128 3.917 . 0 0 "[ . 1 . 2 . 3]" 1 332 1 33 LEU QD 1 35 TYR QB 5.000 . 5.500 2.810 2.201 3.410 . 0 0 "[ . 1 . 2 . 3]" 1 333 1 33 LEU QD 1 35 TYR QD 5.000 . 6.000 3.513 2.555 4.347 . 0 0 "[ . 1 . 2 . 3]" 1 334 1 33 LEU QD 1 35 TYR QE 5.000 . 6.000 5.140 4.233 5.869 . 0 0 "[ . 1 . 2 . 3]" 1 335 1 33 LEU QD 1 35 TYR H 5.000 . 5.500 3.501 2.346 4.330 . 0 0 "[ . 1 . 2 . 3]" 1 336 1 33 LEU QD 1 54 PHE HA 5.000 . 5.500 4.089 2.863 4.894 . 0 0 "[ . 1 . 2 . 3]" 1 337 1 33 LEU QD 1 55 LEU HG 5.000 . 5.500 5.228 3.370 5.545 0.045 24 0 "[ . 1 . 2 . 3]" 1 338 1 33 LEU MD1 1 55 LEU QD 4.000 . 5.000 4.416 2.478 5.038 0.038 1 0 "[ . 1 . 2 . 3]" 1 339 1 33 LEU MD2 1 55 LEU QD 4.000 . 5.000 3.865 2.739 5.003 0.003 18 0 "[ . 1 . 2 . 3]" 1 340 1 33 LEU QD 1 55 LEU H 6.000 . 6.500 3.729 2.519 4.640 . 0 0 "[ . 1 . 2 . 3]" 1 341 1 33 LEU QD 1 71 ALA MB 4.000 . 5.000 2.604 2.177 3.514 . 0 0 "[ . 1 . 2 . 3]" 1 342 1 33 LEU QD 1 72 GLU HA 4.000 . 4.500 2.256 2.022 3.243 . 0 0 "[ . 1 . 2 . 3]" 1 343 1 33 LEU QD 1 72 GLU H 5.000 . 5.500 3.262 2.911 4.555 . 0 0 "[ . 1 . 2 . 3]" 1 344 1 33 LEU QD 1 75 PHE HA 5.000 . 5.500 4.683 4.223 5.170 . 0 0 "[ . 1 . 2 . 3]" 1 345 1 33 LEU QD 1 75 PHE HB3 5.000 . 5.500 2.890 2.543 3.341 . 0 0 "[ . 1 . 2 . 3]" 1 346 1 33 LEU QD 1 75 PHE HB2 5.000 . 5.500 2.827 2.262 3.492 . 0 0 "[ . 1 . 2 . 3]" 1 347 1 33 LEU QD 1 75 PHE QD 5.000 . 6.000 3.184 2.340 3.585 . 0 0 "[ . 1 . 2 . 3]" 1 348 1 33 LEU QD 1 75 PHE QE 5.000 . 6.000 4.158 3.468 4.564 . 0 0 "[ . 1 . 2 . 3]" 1 349 1 33 LEU QD 1 75 PHE H 6.000 . 6.500 4.073 3.622 4.465 . 0 0 "[ . 1 . 2 . 3]" 1 350 1 33 LEU QD 1 75 PHE HZ 6.000 . 6.500 5.200 4.204 5.737 . 0 0 "[ . 1 . 2 . 3]" 1 351 1 33 LEU QD 1 94 TRP HA 5.000 . 5.500 3.088 2.897 3.676 . 0 0 "[ . 1 . 2 . 3]" 1 352 1 33 LEU QD 1 94 TRP QB 5.000 . 5.500 3.042 2.009 3.664 . 0 0 "[ . 1 . 2 . 3]" 1 353 1 33 LEU QD 1 94 TRP HD1 4.000 . 4.000 3.953 3.596 4.058 0.058 1 0 "[ . 1 . 2 . 3]" 1 354 1 33 LEU QD 1 94 TRP HE1 5.000 . 5.500 4.174 3.823 4.626 . 0 0 "[ . 1 . 2 . 3]" 1 355 1 33 LEU QD 1 94 TRP HE3 5.000 . 5.500 3.534 3.201 3.856 . 0 0 "[ . 1 . 2 . 3]" 1 356 1 33 LEU QD 1 94 TRP HH2 5.000 . 5.500 4.448 3.813 5.410 . 0 0 "[ . 1 . 2 . 3]" 1 357 1 33 LEU QD 1 94 TRP H 6.000 . 6.500 5.222 4.738 5.643 . 0 0 "[ . 1 . 2 . 3]" 1 358 1 33 LEU QD 1 94 TRP HZ2 5.000 . 5.500 4.341 3.713 5.333 . 0 0 "[ . 1 . 2 . 3]" 1 359 1 33 LEU QD 1 94 TRP HZ3 5.000 . 5.500 4.082 3.595 4.854 . 0 0 "[ . 1 . 2 . 3]" 1 360 1 33 LEU QD 1 95 PHE H 5.000 . 5.500 2.602 2.234 3.697 . 0 0 "[ . 1 . 2 . 3]" 1 361 1 33 LEU QD 1 96 ILE MD 5.000 . 6.000 3.202 2.683 3.574 . 0 0 "[ . 1 . 2 . 3]" 1 362 1 33 LEU QD 1 96 ILE MG 5.000 . 6.000 2.369 2.203 2.828 . 0 0 "[ . 1 . 2 . 3]" 1 363 1 33 LEU QD 1 97 SER H 6.000 . 6.500 4.904 4.300 5.375 . 0 0 "[ . 1 . 2 . 3]" 1 364 1 33 LEU QD 1 110 VAL QG 5.000 . 6.000 4.874 4.396 5.591 . 0 0 "[ . 1 . 2 . 3]" 1 365 1 33 LEU HG 1 34 CYS H 5.000 . 5.000 3.722 2.581 4.817 . 0 0 "[ . 1 . 2 . 3]" 1 366 1 33 LEU HG 1 72 GLU H 6.000 . 6.000 5.743 3.835 6.108 0.108 2 0 "[ . 1 . 2 . 3]" 1 367 1 33 LEU H 1 54 PHE QD 5.000 . 5.500 5.071 4.738 5.494 . 0 0 "[ . 1 . 2 . 3]" 1 368 1 33 LEU H 1 55 LEU QD 5.000 . 5.500 5.043 3.317 5.507 0.007 19 0 "[ . 1 . 2 . 3]" 1 369 1 33 LEU H 1 55 LEU H 4.000 . 4.000 3.161 2.945 3.400 . 0 0 "[ . 1 . 2 . 3]" 1 370 1 33 LEU H 1 56 HIS HA 5.000 . 5.000 3.445 3.143 3.737 . 0 0 "[ . 1 . 2 . 3]" 1 371 1 34 CYS HA 1 35 TYR H 3.000 . 3.000 2.167 2.141 2.262 . 0 0 "[ . 1 . 2 . 3]" 1 372 1 34 CYS HA 1 53 GLY H 5.000 . 5.000 4.985 4.637 5.049 0.049 16 0 "[ . 1 . 2 . 3]" 1 373 1 34 CYS HA 1 54 PHE HA 5.000 . 5.000 2.363 2.315 2.530 . 0 0 "[ . 1 . 2 . 3]" 1 374 1 34 CYS HA 1 55 LEU H 5.000 . 5.000 3.702 3.594 3.980 . 0 0 "[ . 1 . 2 . 3]" 1 375 1 34 CYS HA 1 165 PHE QD 5.000 . 5.500 4.718 4.207 5.354 . 0 0 "[ . 1 . 2 . 3]" 1 376 1 34 CYS HA 1 165 PHE QE 5.000 . 5.500 3.652 3.129 4.294 . 0 0 "[ . 1 . 2 . 3]" 1 377 1 34 CYS HA 1 165 PHE HZ 5.000 . 5.000 4.068 3.562 4.775 . 0 0 "[ . 1 . 2 . 3]" 1 378 1 34 CYS QB 1 35 TYR H 5.000 . 5.000 3.398 2.918 3.677 . 0 0 "[ . 1 . 2 . 3]" 1 379 1 34 CYS QB 1 94 TRP HA 6.000 . 6.000 5.133 4.504 5.779 . 0 0 "[ . 1 . 2 . 3]" 1 380 1 34 CYS QB 1 95 PHE QE 5.000 . 5.500 4.911 4.321 5.456 . 0 0 "[ . 1 . 2 . 3]" 1 381 1 34 CYS QB 1 165 PHE QD 5.000 . 5.500 3.105 2.697 3.731 . 0 0 "[ . 1 . 2 . 3]" 1 382 1 34 CYS QB 1 165 PHE QE 4.000 . 4.500 2.606 2.291 3.681 . 0 0 "[ . 1 . 2 . 3]" 1 383 1 34 CYS QB 1 165 PHE HZ 5.000 . 5.000 2.895 2.254 4.292 . 0 0 "[ . 1 . 2 . 3]" 1 384 1 34 CYS H 1 94 TRP HA 5.000 . 5.000 4.785 4.167 5.029 0.029 28 0 "[ . 1 . 2 . 3]" 1 385 1 34 CYS H 1 95 PHE QD 5.000 . 5.500 4.660 4.209 5.065 . 0 0 "[ . 1 . 2 . 3]" 1 386 1 34 CYS H 1 95 PHE H 5.000 . 5.000 2.990 2.662 3.217 . 0 0 "[ . 1 . 2 . 3]" 1 387 1 34 CYS H 1 96 ILE MG 5.000 . 5.500 4.521 4.243 4.887 . 0 0 "[ . 1 . 2 . 3]" 1 388 1 35 TYR HA 1 36 GLU H 3.000 . 3.000 2.187 2.157 2.249 . 0 0 "[ . 1 . 2 . 3]" 1 389 1 35 TYR HA 1 93 THR H 6.000 . 6.000 4.574 4.269 4.928 . 0 0 "[ . 1 . 2 . 3]" 1 390 1 35 TYR HA 1 94 TRP HA 4.000 . 4.000 2.881 2.344 3.130 . 0 0 "[ . 1 . 2 . 3]" 1 391 1 35 TYR HA 1 95 PHE H 5.000 . 5.000 3.710 3.396 3.976 . 0 0 "[ . 1 . 2 . 3]" 1 392 1 35 TYR HA 1 122 LEU MD2 6.000 . 6.500 6.253 5.272 6.590 0.090 23 0 "[ . 1 . 2 . 3]" 1 393 1 35 TYR HB3 1 36 GLU H 5.000 . 5.000 4.207 4.010 4.317 . 0 0 "[ . 1 . 2 . 3]" 1 394 1 35 TYR HB2 1 36 GLU H 5.000 . 5.000 3.087 2.851 3.228 . 0 0 "[ . 1 . 2 . 3]" 1 395 1 35 TYR QB 1 37 VAL QG 5.000 . 5.500 4.449 3.789 5.546 0.046 29 0 "[ . 1 . 2 . 3]" 1 396 1 35 TYR QB 1 53 GLY H 5.000 . 5.500 4.665 4.513 4.875 . 0 0 "[ . 1 . 2 . 3]" 1 397 1 35 TYR QB 1 75 PHE QE 5.000 . 5.500 2.923 2.258 3.302 . 0 0 "[ . 1 . 2 . 3]" 1 398 1 35 TYR QB 1 75 PHE HZ 5.000 . 5.500 2.897 2.269 3.574 . 0 0 "[ . 1 . 2 . 3]" 1 399 1 35 TYR QB 1 92 VAL QG 5.000 . 5.500 3.017 2.722 3.697 . 0 0 "[ . 1 . 2 . 3]" 1 400 1 35 TYR QB 1 94 TRP HA 5.000 . 5.000 3.874 3.492 4.358 . 0 0 "[ . 1 . 2 . 3]" 1 401 1 35 TYR HB3 1 94 TRP HD1 5.000 . 5.000 4.098 3.548 4.703 . 0 0 "[ . 1 . 2 . 3]" 1 402 1 35 TYR HB2 1 94 TRP HD1 5.000 . 5.000 3.429 2.824 4.012 . 0 0 "[ . 1 . 2 . 3]" 1 403 1 35 TYR H 1 35 TYR QD 5.000 . 5.500 2.364 2.013 2.655 . 0 0 "[ . 1 . 2 . 3]" 1 404 1 35 TYR QD 1 36 GLU H 5.000 . 5.500 3.546 3.146 3.988 . 0 0 "[ . 1 . 2 . 3]" 1 405 1 35 TYR QD 1 37 VAL MG1 5.000 . 6.000 5.220 4.739 5.681 . 0 0 "[ . 1 . 2 . 3]" 1 406 1 35 TYR QD 1 53 GLY QA 5.000 . 5.500 4.009 3.782 4.329 . 0 0 "[ . 1 . 2 . 3]" 1 407 1 35 TYR QD 1 54 PHE HA 5.000 . 5.500 2.972 2.607 3.484 . 0 0 "[ . 1 . 2 . 3]" 1 408 1 35 TYR QD 1 75 PHE QD 5.000 . 6.000 3.287 2.663 4.020 . 0 0 "[ . 1 . 2 . 3]" 1 409 1 35 TYR QD 1 75 PHE QE 5.000 . 6.000 2.951 2.472 3.259 . 0 0 "[ . 1 . 2 . 3]" 1 410 1 35 TYR QD 1 78 LEU QD 6.000 . 7.000 4.192 3.627 4.630 . 0 0 "[ . 1 . 2 . 3]" 1 411 1 35 TYR QD 1 82 LEU QD 5.000 . 6.000 4.383 2.976 5.246 . 0 0 "[ . 1 . 2 . 3]" 1 412 1 35 TYR QE 1 37 VAL QG 5.000 . 6.000 3.314 2.259 5.048 . 0 0 "[ . 1 . 2 . 3]" 1 413 1 35 TYR QE 1 51 HIS HA 5.000 . 5.500 4.720 3.775 5.094 . 0 0 "[ . 1 . 2 . 3]" 1 414 1 35 TYR QE 1 51 HIS HD2 6.000 . 6.500 6.306 5.705 6.522 0.022 17 0 "[ . 1 . 2 . 3]" 1 415 1 35 TYR QE 1 53 GLY H 5.000 . 5.500 3.272 3.069 3.874 . 0 0 "[ . 1 . 2 . 3]" 1 416 1 35 TYR QE 1 75 PHE QD 5.000 . 6.000 3.623 2.974 4.229 . 0 0 "[ . 1 . 2 . 3]" 1 417 1 35 TYR QE 1 78 LEU MD1 4.000 . 5.000 3.653 2.713 4.857 . 0 0 "[ . 1 . 2 . 3]" 1 418 1 35 TYR QE 1 78 LEU MD2 4.000 . 5.000 4.052 2.968 4.852 . 0 0 "[ . 1 . 2 . 3]" 1 419 1 35 TYR H 1 53 GLY H 4.000 . 4.000 3.583 3.271 3.883 . 0 0 "[ . 1 . 2 . 3]" 1 420 1 35 TYR H 1 54 PHE HA 4.000 . 4.000 2.948 2.739 3.333 . 0 0 "[ . 1 . 2 . 3]" 1 421 1 35 TYR H 1 54 PHE HB3 5.000 . 5.000 3.933 3.682 4.244 . 0 0 "[ . 1 . 2 . 3]" 1 422 1 35 TYR H 1 54 PHE HB2 5.000 . 5.000 4.876 4.578 5.034 0.034 24 0 "[ . 1 . 2 . 3]" 1 423 1 35 TYR H 1 55 LEU H 6.000 . 6.000 4.631 4.294 5.188 . 0 0 "[ . 1 . 2 . 3]" 1 424 1 35 TYR H 1 165 PHE QD 5.000 . 5.500 5.473 5.257 5.569 0.069 9 0 "[ . 1 . 2 . 3]" 1 425 1 35 TYR H 1 165 PHE QE 4.000 . 4.500 3.634 3.336 4.064 . 0 0 "[ . 1 . 2 . 3]" 1 426 1 35 TYR H 1 165 PHE HZ 5.000 . 5.500 3.534 2.679 4.242 . 0 0 "[ . 1 . 2 . 3]" 1 427 1 36 GLU HA 1 37 VAL QG 5.000 . 5.500 3.705 3.208 4.263 . 0 0 "[ . 1 . 2 . 3]" 1 428 1 36 GLU HA 1 37 VAL H 3.000 . 3.000 2.240 2.158 2.376 . 0 0 "[ . 1 . 2 . 3]" 1 429 1 36 GLU HA 1 52 ARG HA 4.000 . 4.000 3.104 2.509 3.468 . 0 0 "[ . 1 . 2 . 3]" 1 430 1 36 GLU HA 1 93 THR HB 6.000 . 6.000 5.097 4.774 6.026 0.026 23 0 "[ . 1 . 2 . 3]" 1 431 1 36 GLU HA 1 165 PHE HZ 5.000 . 5.000 3.801 2.998 4.817 . 0 0 "[ . 1 . 2 . 3]" 1 432 1 36 GLU HB3 1 37 VAL H 5.000 . 5.000 3.276 2.549 3.805 . 0 0 "[ . 1 . 2 . 3]" 1 433 1 36 GLU HB2 1 37 VAL H 5.000 . 5.000 4.063 3.308 4.484 . 0 0 "[ . 1 . 2 . 3]" 1 434 1 36 GLU QB 1 93 THR HB 5.000 . 5.000 2.591 2.164 4.071 . 0 0 "[ . 1 . 2 . 3]" 1 435 1 36 GLU QB 1 95 PHE QE 5.000 . 5.500 3.782 2.457 4.849 . 0 0 "[ . 1 . 2 . 3]" 1 436 1 36 GLU QB 1 164 THR MG 6.000 . 6.500 4.078 3.602 5.392 . 0 0 "[ . 1 . 2 . 3]" 1 437 1 36 GLU H 1 36 GLU QG 5.000 . 5.000 3.386 2.081 4.238 . 0 0 "[ . 1 . 2 . 3]" 1 438 1 36 GLU QG 1 37 VAL H 5.000 . 5.000 3.730 2.418 4.558 . 0 0 "[ . 1 . 2 . 3]" 1 439 1 36 GLU QG 1 52 ARG HA 5.000 . 5.000 4.310 2.648 5.040 0.040 5 0 "[ . 1 . 2 . 3]" 1 440 1 36 GLU QG 1 95 PHE QD 6.000 . 6.500 4.113 2.823 5.258 . 0 0 "[ . 1 . 2 . 3]" 1 441 1 36 GLU QG 1 95 PHE QE 4.000 . 4.500 4.096 3.243 4.504 0.004 28 0 "[ . 1 . 2 . 3]" 1 442 1 36 GLU HG3 1 160 HIS HE1 5.000 . 5.000 4.327 3.197 5.026 0.026 10 0 "[ . 1 . 2 . 3]" 1 443 1 36 GLU HG2 1 160 HIS HE1 5.000 . 5.000 4.884 3.251 5.039 0.039 21 0 "[ . 1 . 2 . 3]" 1 444 1 36 GLU HG3 1 164 THR MG 5.000 . 5.500 3.687 2.554 5.296 . 0 0 "[ . 1 . 2 . 3]" 1 445 1 36 GLU HG2 1 164 THR MG 5.000 . 5.500 3.600 2.524 4.442 . 0 0 "[ . 1 . 2 . 3]" 1 446 1 36 GLU QG 1 165 PHE QE 5.000 . 5.500 2.879 2.143 3.588 . 0 0 "[ . 1 . 2 . 3]" 1 447 1 36 GLU HG3 1 165 PHE HZ 4.000 . 4.000 3.121 2.329 4.075 0.075 4 0 "[ . 1 . 2 . 3]" 1 448 1 36 GLU HG2 1 165 PHE HZ 4.000 . 4.000 2.856 2.324 4.060 0.060 20 0 "[ . 1 . 2 . 3]" 1 449 1 36 GLU H 1 92 VAL QG 5.000 . 5.500 3.283 2.755 4.317 . 0 0 "[ . 1 . 2 . 3]" 1 450 1 36 GLU H 1 93 THR HB 5.000 . 5.000 3.348 3.019 4.193 . 0 0 "[ . 1 . 2 . 3]" 1 451 1 36 GLU H 1 93 THR MG 5.000 . 5.500 4.540 3.646 4.998 . 0 0 "[ . 1 . 2 . 3]" 1 452 1 36 GLU H 1 93 THR H 4.000 . 4.000 2.845 2.602 3.110 . 0 0 "[ . 1 . 2 . 3]" 1 453 1 36 GLU H 1 94 TRP HA 5.000 . 5.000 4.131 3.533 4.407 . 0 0 "[ . 1 . 2 . 3]" 1 454 1 36 GLU H 1 94 TRP HD1 6.000 . 6.000 3.701 3.029 4.031 . 0 0 "[ . 1 . 2 . 3]" 1 455 1 37 VAL HA 1 38 GLU H 3.000 . 3.000 2.166 2.136 2.236 . 0 0 "[ . 1 . 2 . 3]" 1 456 1 37 VAL HA 1 51 HIS HE1 5.000 . 5.000 5.031 4.575 5.181 0.181 2 0 "[ . 1 . 2 . 3]" 1 457 1 37 VAL HA 1 92 VAL MG1 5.000 . 5.500 3.984 2.557 5.160 . 0 0 "[ . 1 . 2 . 3]" 1 458 1 37 VAL HA 1 92 VAL MG2 5.000 . 5.500 3.445 2.313 4.918 . 0 0 "[ . 1 . 2 . 3]" 1 459 1 37 VAL HA 1 93 THR H 5.000 . 5.000 3.851 3.368 4.205 . 0 0 "[ . 1 . 2 . 3]" 1 460 1 37 VAL HB 1 38 GLU H 5.000 . 5.000 4.228 4.003 4.371 . 0 0 "[ . 1 . 2 . 3]" 1 461 1 37 VAL HB 1 48 MET QB 5.000 . 5.000 3.649 2.992 4.818 . 0 0 "[ . 1 . 2 . 3]" 1 462 1 37 VAL HB 1 48 MET ME 5.000 . 5.000 4.132 2.529 5.023 0.023 29 0 "[ . 1 . 2 . 3]" 1 463 1 37 VAL HB 1 51 HIS QB 5.000 . 5.000 3.032 2.396 4.168 . 0 0 "[ . 1 . 2 . 3]" 1 464 1 37 VAL HB 1 51 HIS HE1 6.000 . 6.000 3.342 2.313 3.836 . 0 0 "[ . 1 . 2 . 3]" 1 465 1 37 VAL HB 1 82 LEU MD1 5.000 . 5.500 5.014 4.286 5.732 0.232 30 0 "[ . 1 . 2 . 3]" 1 466 1 37 VAL HB 1 82 LEU MD2 5.000 . 5.500 5.242 3.790 5.702 0.202 28 0 "[ . 1 . 2 . 3]" 1 467 1 37 VAL MG1 1 38 GLU H 5.000 . 5.500 2.634 2.146 3.466 . 0 0 "[ . 1 . 2 . 3]" 1 468 1 37 VAL MG2 1 38 GLU H 5.000 . 5.500 3.564 2.131 4.159 . 0 0 "[ . 1 . 2 . 3]" 1 469 1 37 VAL QG 1 48 MET ME 4.000 . 5.000 2.570 1.960 3.365 . 0 0 "[ . 1 . 2 . 3]" 1 470 1 37 VAL QG 1 51 HIS HB3 5.000 . 5.500 3.077 2.365 3.825 . 0 0 "[ . 1 . 2 . 3]" 1 471 1 37 VAL QG 1 51 HIS HB2 5.000 . 5.500 3.939 3.146 4.309 . 0 0 "[ . 1 . 2 . 3]" 1 472 1 37 VAL QG 1 51 HIS HD2 5.000 . 5.500 4.049 3.182 4.403 . 0 0 "[ . 1 . 2 . 3]" 1 473 1 37 VAL QG 1 82 LEU MD1 4.000 . 5.000 3.205 2.354 4.914 . 0 0 "[ . 1 . 2 . 3]" 1 474 1 37 VAL QG 1 82 LEU MD2 4.000 . 5.000 3.674 1.948 4.965 . 0 0 "[ . 1 . 2 . 3]" 1 475 1 37 VAL MG2 1 84 LEU QD 4.000 . 5.000 3.190 2.082 4.114 . 0 0 "[ . 1 . 2 . 3]" 1 476 1 37 VAL MG1 1 84 LEU QD 4.000 . 5.000 3.072 2.002 4.413 . 0 0 "[ . 1 . 2 . 3]" 1 477 1 37 VAL QG 1 90 TYR HA 5.000 . 5.500 4.444 3.908 4.907 . 0 0 "[ . 1 . 2 . 3]" 1 478 1 37 VAL QG 1 90 TYR QB 5.000 . 5.500 3.250 2.245 3.977 . 0 0 "[ . 1 . 2 . 3]" 1 479 1 37 VAL QG 1 90 TYR QD 4.000 . 5.000 2.396 2.046 2.931 . 0 0 "[ . 1 . 2 . 3]" 1 480 1 37 VAL QG 1 91 ARG H 5.000 . 5.500 3.577 2.620 4.541 . 0 0 "[ . 1 . 2 . 3]" 1 481 1 37 VAL MG1 1 92 VAL QG 4.000 . 5.000 3.634 2.859 4.502 . 0 0 "[ . 1 . 2 . 3]" 1 482 1 37 VAL MG2 1 92 VAL QG 4.000 . 5.000 2.602 2.042 3.325 . 0 0 "[ . 1 . 2 . 3]" 1 483 1 37 VAL QG 1 93 THR H 6.000 . 6.500 4.445 3.986 5.142 . 0 0 "[ . 1 . 2 . 3]" 1 484 1 37 VAL H 1 48 MET H 6.000 . 6.000 4.424 4.144 4.829 . 0 0 "[ . 1 . 2 . 3]" 1 485 1 37 VAL H 1 52 ARG HA 6.000 . 6.000 3.771 3.270 4.166 . 0 0 "[ . 1 . 2 . 3]" 1 486 1 38 GLU HA 1 39 ARG H 3.000 . 3.000 2.197 2.143 2.425 . 0 0 "[ . 1 . 2 . 3]" 1 487 1 38 GLU HA 1 46 VAL H 5.000 . 5.000 4.722 4.087 5.009 0.009 2 0 "[ . 1 . 2 . 3]" 1 488 1 38 GLU HA 1 47 LYS HA 4.000 . 4.000 2.483 2.337 2.857 . 0 0 "[ . 1 . 2 . 3]" 1 489 1 38 GLU HA 1 48 MET ME 4.000 . 4.500 4.401 3.725 4.526 0.026 11 0 "[ . 1 . 2 . 3]" 1 490 1 38 GLU HA 1 48 MET HG3 5.000 . 5.000 3.443 2.730 3.946 . 0 0 "[ . 1 . 2 . 3]" 1 491 1 38 GLU HA 1 48 MET HG2 5.000 . 5.000 4.368 3.392 5.027 0.027 20 0 "[ . 1 . 2 . 3]" 1 492 1 38 GLU HA 1 48 MET H 4.000 . 4.000 3.069 2.610 3.665 . 0 0 "[ . 1 . 2 . 3]" 1 493 1 38 GLU HA 1 91 ARG H 5.000 . 5.000 4.771 4.393 5.032 0.032 11 0 "[ . 1 . 2 . 3]" 1 494 1 38 GLU QB 1 39 ARG H 5.000 . 5.000 3.156 2.363 3.859 . 0 0 "[ . 1 . 2 . 3]" 1 495 1 38 GLU QB 1 45 SER QB 5.000 . 5.000 3.273 2.270 4.546 . 0 0 "[ . 1 . 2 . 3]" 1 496 1 38 GLU QB 1 91 ARG QB 5.000 . 5.000 2.447 2.069 4.082 . 0 0 "[ . 1 . 2 . 3]" 1 497 1 38 GLU QB 1 91 ARG H 5.000 . 5.000 3.717 2.778 4.870 . 0 0 "[ . 1 . 2 . 3]" 1 498 1 38 GLU H 1 38 GLU QG 5.000 . 5.000 2.904 2.048 4.202 . 0 0 "[ . 1 . 2 . 3]" 1 499 1 38 GLU QG 1 45 SER QB 5.000 . 5.000 4.422 2.280 5.005 0.005 19 0 "[ . 1 . 2 . 3]" 1 500 1 38 GLU QG 1 47 LYS QG 4.000 . 4.000 3.220 2.142 4.092 0.092 23 0 "[ . 1 . 2 . 3]" 1 501 1 38 GLU H 1 90 TYR QD 5.000 . 5.500 3.645 2.756 4.288 . 0 0 "[ . 1 . 2 . 3]" 1 502 1 38 GLU H 1 91 ARG H 4.000 . 4.000 2.816 2.286 3.371 . 0 0 "[ . 1 . 2 . 3]" 1 503 1 38 GLU H 1 92 VAL HA 5.000 . 5.000 3.734 3.165 4.162 . 0 0 "[ . 1 . 2 . 3]" 1 504 1 38 GLU H 1 92 VAL QG 5.000 . 5.500 4.005 3.166 4.463 . 0 0 "[ . 1 . 2 . 3]" 1 505 1 38 GLU H 1 93 THR H 5.000 . 5.000 4.785 4.410 5.014 0.014 30 0 "[ . 1 . 2 . 3]" 1 506 1 39 ARG HA 1 39 ARG QG 4.000 . 4.000 2.475 2.149 3.294 . 0 0 "[ . 1 . 2 . 3]" 1 507 1 39 ARG HA 1 40 LEU H 4.000 . 4.000 2.206 2.156 2.262 . 0 0 "[ . 1 . 2 . 3]" 1 508 1 39 ARG HA 1 90 TYR HA 4.000 . 4.000 2.343 2.318 2.468 . 0 0 "[ . 1 . 2 . 3]" 1 509 1 39 ARG HA 1 90 TYR QD 5.000 . 5.500 3.212 2.578 4.155 . 0 0 "[ . 1 . 2 . 3]" 1 510 1 39 ARG HA 1 90 TYR H 5.000 . 5.000 5.048 4.991 5.149 0.149 29 0 "[ . 1 . 2 . 3]" 1 511 1 39 ARG H 1 39 ARG HB3 4.000 . 4.000 2.656 2.283 3.661 . 0 0 "[ . 1 . 2 . 3]" 1 512 1 39 ARG H 1 39 ARG HB2 4.000 . 4.000 2.847 2.339 3.678 . 0 0 "[ . 1 . 2 . 3]" 1 513 1 39 ARG HB3 1 40 LEU H 5.000 . 5.000 3.972 3.060 4.258 . 0 0 "[ . 1 . 2 . 3]" 1 514 1 39 ARG HB2 1 40 LEU H 5.000 . 5.000 3.986 2.849 4.397 . 0 0 "[ . 1 . 2 . 3]" 1 515 1 39 ARG QB 1 46 VAL HB 5.000 . 5.000 3.681 2.452 5.010 0.010 17 0 "[ . 1 . 2 . 3]" 1 516 1 39 ARG QB 1 46 VAL H 5.000 . 5.000 4.071 3.432 4.990 . 0 0 "[ . 1 . 2 . 3]" 1 517 1 39 ARG QB 1 48 MET ME 5.000 . 5.000 3.163 2.402 4.299 . 0 0 "[ . 1 . 2 . 3]" 1 518 1 39 ARG QB 1 90 TYR QD 5.000 . 5.500 3.651 2.606 4.631 . 0 0 "[ . 1 . 2 . 3]" 1 519 1 39 ARG QB 1 90 TYR QE 5.000 . 5.500 2.967 2.331 4.476 . 0 0 "[ . 1 . 2 . 3]" 1 520 1 39 ARG HG3 1 40 LEU H 5.000 . 5.000 3.182 2.184 4.931 . 0 0 "[ . 1 . 2 . 3]" 1 521 1 39 ARG HG2 1 40 LEU H 5.000 . 5.000 3.054 2.058 4.560 . 0 0 "[ . 1 . 2 . 3]" 1 522 1 39 ARG QG 1 88 GLN QB 5.000 . 5.000 3.347 2.574 4.963 . 0 0 "[ . 1 . 2 . 3]" 1 523 1 39 ARG QG 1 90 TYR QE 5.000 . 5.500 3.622 2.620 5.471 . 0 0 "[ . 1 . 2 . 3]" 1 524 1 39 ARG H 1 46 VAL HB 5.000 . 5.000 3.864 2.936 5.011 0.011 10 0 "[ . 1 . 2 . 3]" 1 525 1 39 ARG H 1 46 VAL MG1 5.000 . 5.500 4.387 2.330 5.514 0.014 12 0 "[ . 1 . 2 . 3]" 1 526 1 39 ARG H 1 46 VAL MG2 5.000 . 5.500 4.383 2.437 5.259 . 0 0 "[ . 1 . 2 . 3]" 1 527 1 39 ARG H 1 46 VAL H 4.000 . 4.000 3.515 2.846 3.965 . 0 0 "[ . 1 . 2 . 3]" 1 528 1 39 ARG H 1 47 LYS HA 4.000 . 4.000 3.874 3.586 4.026 0.026 11 0 "[ . 1 . 2 . 3]" 1 529 1 39 ARG H 1 48 MET H 5.000 . 5.000 4.570 3.955 5.004 0.004 20 0 "[ . 1 . 2 . 3]" 1 530 1 39 ARG H 1 48 MET ME 5.000 . 5.500 4.115 3.151 5.035 . 0 0 "[ . 1 . 2 . 3]" 1 531 1 40 LEU HA 1 40 LEU QD 4.000 . 4.500 2.161 1.948 2.426 . 0 0 "[ . 1 . 2 . 3]" 1 532 1 40 LEU HA 1 41 ASP H 3.000 . 3.000 2.199 2.138 2.332 . 0 0 "[ . 1 . 2 . 3]" 1 533 1 40 LEU HA 1 45 SER HA 4.000 . 4.000 2.627 2.349 2.962 . 0 0 "[ . 1 . 2 . 3]" 1 534 1 40 LEU HA 1 46 VAL H 5.000 . 5.000 3.625 3.072 4.082 . 0 0 "[ . 1 . 2 . 3]" 1 535 1 40 LEU HB3 1 41 ASP H 5.000 . 5.000 3.324 2.660 4.038 . 0 0 "[ . 1 . 2 . 3]" 1 536 1 40 LEU HB2 1 41 ASP H 5.000 . 5.000 4.254 3.580 4.644 . 0 0 "[ . 1 . 2 . 3]" 1 537 1 40 LEU QB 1 89 ILE H 5.000 . 5.000 3.981 3.132 4.520 . 0 0 "[ . 1 . 2 . 3]" 1 538 1 40 LEU HB2 1 89 ILE H 5.000 . 5.000 4.250 3.192 4.863 . 0 0 "[ . 1 . 2 . 3]" 1 539 1 40 LEU H 1 40 LEU MD1 5.000 . 5.500 3.272 2.396 4.000 . 0 0 "[ . 1 . 2 . 3]" 1 540 1 40 LEU H 1 40 LEU MD2 5.000 . 5.500 3.655 1.782 4.376 0.018 22 0 "[ . 1 . 2 . 3]" 1 541 1 40 LEU MD1 1 41 ASP H 5.000 . 5.500 4.136 2.538 5.475 . 0 0 "[ . 1 . 2 . 3]" 1 542 1 40 LEU MD2 1 41 ASP H 5.000 . 5.500 4.210 3.075 5.191 . 0 0 "[ . 1 . 2 . 3]" 1 543 1 40 LEU QD 1 42 ASN H 5.000 . 5.500 5.298 4.470 5.507 0.007 3 0 "[ . 1 . 2 . 3]" 1 544 1 40 LEU QD 1 43 GLY QA 5.000 . 5.500 3.672 2.762 4.132 . 0 0 "[ . 1 . 2 . 3]" 1 545 1 40 LEU QD 1 44 THR HA 5.000 . 5.500 5.042 4.306 5.512 0.012 26 0 "[ . 1 . 2 . 3]" 1 546 1 40 LEU MD1 1 44 THR H 6.000 . 6.500 5.722 3.625 6.504 0.004 9 0 "[ . 1 . 2 . 3]" 1 547 1 40 LEU MD2 1 44 THR H 6.000 . 6.500 5.557 4.115 6.476 . 0 0 "[ . 1 . 2 . 3]" 1 548 1 40 LEU MD1 1 45 SER HA 5.000 . 5.500 3.491 2.312 5.099 . 0 0 "[ . 1 . 2 . 3]" 1 549 1 40 LEU MD2 1 45 SER HA 5.000 . 5.500 3.838 2.223 5.293 . 0 0 "[ . 1 . 2 . 3]" 1 550 1 40 LEU QD 1 45 SER HB3 5.000 . 5.500 2.855 2.150 3.705 . 0 0 "[ . 1 . 2 . 3]" 1 551 1 40 LEU QD 1 45 SER HB2 5.000 . 5.500 3.026 2.221 3.963 . 0 0 "[ . 1 . 2 . 3]" 1 552 1 40 LEU QD 1 45 SER H 5.000 . 5.500 4.124 3.367 4.547 . 0 0 "[ . 1 . 2 . 3]" 1 553 1 40 LEU QD 1 46 VAL H 5.000 . 5.500 3.832 3.018 4.457 . 0 0 "[ . 1 . 2 . 3]" 1 554 1 40 LEU QD 1 89 ILE HB 4.000 . 4.500 3.064 2.157 4.651 0.151 12 0 "[ . 1 . 2 . 3]" 1 555 1 40 LEU QD 1 89 ILE MG 5.000 . 6.000 2.546 1.916 4.289 . 0 0 "[ . 1 . 2 . 3]" 1 556 1 40 LEU MD1 1 90 TYR HA 5.000 . 5.500 4.041 3.239 5.510 0.010 15 0 "[ . 1 . 2 . 3]" 1 557 1 40 LEU MD2 1 90 TYR HA 5.000 . 5.500 4.589 2.484 5.521 0.021 5 0 "[ . 1 . 2 . 3]" 1 558 1 40 LEU QD 1 90 TYR QD 5.000 . 6.000 5.062 4.320 5.705 . 0 0 "[ . 1 . 2 . 3]" 1 559 1 40 LEU MD1 1 91 ARG H 5.000 . 5.500 4.324 3.317 5.510 0.010 22 0 "[ . 1 . 2 . 3]" 1 560 1 40 LEU MD2 1 91 ARG H 5.000 . 5.500 4.919 3.164 5.537 0.037 29 0 "[ . 1 . 2 . 3]" 1 561 1 40 LEU H 1 40 LEU HG 5.000 . 5.000 3.639 2.072 4.539 . 0 0 "[ . 1 . 2 . 3]" 1 562 1 40 LEU HG 1 41 ASP H 5.000 . 5.000 4.148 2.935 5.071 0.071 9 0 "[ . 1 . 2 . 3]" 1 563 1 40 LEU H 1 41 ASP H 5.000 . 5.000 4.474 4.125 4.625 . 0 0 "[ . 1 . 2 . 3]" 1 564 1 40 LEU H 1 89 ILE HB 5.000 . 5.000 3.473 3.217 5.128 0.128 12 0 "[ . 1 . 2 . 3]" 1 565 1 40 LEU H 1 89 ILE HG13 6.000 . 6.000 5.588 3.177 6.055 0.055 28 0 "[ . 1 . 2 . 3]" 1 566 1 40 LEU H 1 89 ILE HG12 6.000 . 6.000 5.602 2.571 6.045 0.045 15 0 "[ . 1 . 2 . 3]" 1 567 1 40 LEU H 1 89 ILE MG 4.000 . 4.500 4.165 2.982 4.609 0.109 12 0 "[ . 1 . 2 . 3]" 1 568 1 40 LEU H 1 89 ILE H 5.000 . 5.000 4.213 3.952 4.606 . 0 0 "[ . 1 . 2 . 3]" 1 569 1 40 LEU H 1 90 TYR HA 5.000 . 5.000 2.984 2.376 3.543 . 0 0 "[ . 1 . 2 . 3]" 1 570 1 40 LEU H 1 91 ARG H 5.000 . 5.000 4.709 3.825 5.009 0.009 30 0 "[ . 1 . 2 . 3]" 1 571 1 41 ASP HA 1 42 ASN H 3.000 . 3.000 2.188 2.150 2.223 . 0 0 "[ . 1 . 2 . 3]" 1 572 1 41 ASP H 1 41 ASP HB3 4.000 . 4.000 3.200 2.243 3.893 . 0 0 "[ . 1 . 2 . 3]" 1 573 1 41 ASP H 1 41 ASP HB2 4.000 . 4.000 2.961 2.624 3.414 . 0 0 "[ . 1 . 2 . 3]" 1 574 1 41 ASP HB3 1 42 ASN H 5.000 . 5.000 4.163 3.829 4.595 . 0 0 "[ . 1 . 2 . 3]" 1 575 1 41 ASP HB2 1 42 ASN H 5.000 . 5.000 4.564 4.323 4.652 . 0 0 "[ . 1 . 2 . 3]" 1 576 1 41 ASP QB 1 44 THR HB 4.000 . 4.000 2.854 2.393 3.582 . 0 0 "[ . 1 . 2 . 3]" 1 577 1 41 ASP HB3 1 44 THR MG 5.000 . 5.500 4.349 3.886 5.185 . 0 0 "[ . 1 . 2 . 3]" 1 578 1 41 ASP HB2 1 44 THR MG 5.000 . 5.500 4.980 3.843 5.506 0.006 6 0 "[ . 1 . 2 . 3]" 1 579 1 41 ASP QB 1 44 THR H 5.000 . 5.000 3.940 3.608 4.440 . 0 0 "[ . 1 . 2 . 3]" 1 580 1 41 ASP HB3 1 46 VAL QG 4.000 . 4.500 3.725 2.595 4.445 . 0 0 "[ . 1 . 2 . 3]" 1 581 1 41 ASP HB2 1 46 VAL QG 4.000 . 4.500 3.425 2.293 4.408 . 0 0 "[ . 1 . 2 . 3]" 1 582 1 41 ASP QB 1 46 VAL H 5.000 . 5.000 4.639 3.602 5.014 0.014 8 0 "[ . 1 . 2 . 3]" 1 583 1 41 ASP H 1 42 ASN H 5.000 . 5.000 3.868 3.631 4.193 . 0 0 "[ . 1 . 2 . 3]" 1 584 1 41 ASP H 1 44 THR HA 5.000 . 5.000 4.640 4.327 4.969 . 0 0 "[ . 1 . 2 . 3]" 1 585 1 41 ASP H 1 44 THR HB 4.000 . 4.000 3.596 3.023 4.012 0.012 13 0 "[ . 1 . 2 . 3]" 1 586 1 41 ASP H 1 44 THR MG 5.000 . 5.500 4.676 4.339 5.093 . 0 0 "[ . 1 . 2 . 3]" 1 587 1 41 ASP H 1 44 THR H 4.000 . 4.000 3.225 2.538 3.811 . 0 0 "[ . 1 . 2 . 3]" 1 588 1 41 ASP H 1 45 SER HA 5.000 . 5.000 3.568 3.231 3.980 . 0 0 "[ . 1 . 2 . 3]" 1 589 1 41 ASP H 1 45 SER HB3 6.000 . 6.000 5.533 4.962 6.001 0.001 21 0 "[ . 1 . 2 . 3]" 1 590 1 41 ASP H 1 45 SER HB2 6.000 . 6.000 5.818 5.426 6.016 0.016 19 0 "[ . 1 . 2 . 3]" 1 591 1 41 ASP H 1 46 VAL QG 5.000 . 5.500 4.101 3.305 4.691 . 0 0 "[ . 1 . 2 . 3]" 1 592 1 41 ASP H 1 46 VAL H 5.000 . 5.000 4.435 3.208 4.901 . 0 0 "[ . 1 . 2 . 3]" 1 593 1 42 ASN H 1 42 ASN HA 3.000 . 3.000 2.298 2.294 2.304 . 0 0 "[ . 1 . 2 . 3]" 1 594 1 42 ASN HA 1 43 GLY H 4.000 . 4.000 2.806 2.599 3.037 . 0 0 "[ . 1 . 2 . 3]" 1 595 1 42 ASN H 1 42 ASN HB3 4.000 . 4.000 3.867 3.593 4.058 0.058 30 0 "[ . 1 . 2 . 3]" 1 596 1 42 ASN H 1 42 ASN HB2 4.000 . 4.000 3.244 2.989 3.791 . 0 0 "[ . 1 . 2 . 3]" 1 597 1 42 ASN HB3 1 43 GLY H 5.000 . 5.000 4.288 4.024 4.575 . 0 0 "[ . 1 . 2 . 3]" 1 598 1 42 ASN HB2 1 43 GLY H 5.000 . 5.000 4.421 4.152 4.659 . 0 0 "[ . 1 . 2 . 3]" 1 599 1 42 ASN QB 1 44 THR H 5.000 . 5.000 3.240 2.899 3.600 . 0 0 "[ . 1 . 2 . 3]" 1 600 1 42 ASN H 1 43 GLY H 4.000 . 4.000 2.785 2.612 3.017 . 0 0 "[ . 1 . 2 . 3]" 1 601 1 42 ASN H 1 44 THR H 5.000 . 5.000 4.098 3.836 4.318 . 0 0 "[ . 1 . 2 . 3]" 1 602 1 43 GLY HA3 1 44 THR H 5.000 . 5.000 3.112 2.988 3.401 . 0 0 "[ . 1 . 2 . 3]" 1 603 1 43 GLY HA2 1 44 THR H 5.000 . 5.000 3.406 3.138 3.488 . 0 0 "[ . 1 . 2 . 3]" 1 604 1 43 GLY H 1 44 THR H 4.000 . 4.000 2.749 2.385 3.028 . 0 0 "[ . 1 . 2 . 3]" 1 605 1 44 THR HA 1 45 SER H 3.000 . 3.000 2.165 2.146 2.230 . 0 0 "[ . 1 . 2 . 3]" 1 606 1 44 THR H 1 44 THR HB 4.000 . 4.000 2.732 2.443 3.040 . 0 0 "[ . 1 . 2 . 3]" 1 607 1 44 THR HB 1 45 SER H 5.000 . 5.000 4.183 3.706 4.365 . 0 0 "[ . 1 . 2 . 3]" 1 608 1 44 THR HB 1 46 VAL QG 4.000 . 4.500 3.458 2.876 4.505 0.005 17 0 "[ . 1 . 2 . 3]" 1 609 1 44 THR H 1 44 THR MG 4.000 . 4.500 3.751 3.610 3.852 . 0 0 "[ . 1 . 2 . 3]" 1 610 1 44 THR MG 1 45 SER QB 5.000 . 5.000 4.622 3.908 4.920 . 0 0 "[ . 1 . 2 . 3]" 1 611 1 44 THR MG 1 45 SER H 4.000 . 4.500 2.914 2.087 3.345 . 0 0 "[ . 1 . 2 . 3]" 1 612 1 44 THR MG 1 46 VAL QG 4.000 . 5.000 2.797 2.170 4.679 . 0 0 "[ . 1 . 2 . 3]" 1 613 1 44 THR MG 1 46 VAL H 6.000 . 6.500 4.599 4.013 5.642 . 0 0 "[ . 1 . 2 . 3]" 1 614 1 44 THR H 1 45 SER H 5.000 . 5.000 4.385 4.210 4.616 . 0 0 "[ . 1 . 2 . 3]" 1 615 1 45 SER HA 1 46 VAL H 4.000 . 4.000 2.169 2.142 2.260 . 0 0 "[ . 1 . 2 . 3]" 1 616 1 45 SER H 1 45 SER HB3 4.000 . 4.000 2.756 2.082 3.666 . 0 0 "[ . 1 . 2 . 3]" 1 617 1 45 SER H 1 45 SER HB2 4.000 . 4.000 3.341 2.353 3.709 . 0 0 "[ . 1 . 2 . 3]" 1 618 1 45 SER HB3 1 46 VAL H 5.000 . 5.000 4.212 2.950 4.639 . 0 0 "[ . 1 . 2 . 3]" 1 619 1 45 SER HB2 1 46 VAL H 5.000 . 5.000 3.756 2.820 4.462 . 0 0 "[ . 1 . 2 . 3]" 1 620 1 46 VAL HA 1 47 LYS H 3.000 . 3.000 2.172 2.142 2.212 . 0 0 "[ . 1 . 2 . 3]" 1 621 1 46 VAL HB 1 47 LYS H 5.000 . 5.000 4.196 3.481 4.539 . 0 0 "[ . 1 . 2 . 3]" 1 622 1 46 VAL H 1 46 VAL QG 4.000 . 4.500 2.383 1.794 2.809 0.006 10 0 "[ . 1 . 2 . 3]" 1 623 1 46 VAL MG1 1 47 LYS H 5.000 . 5.500 3.182 2.427 4.199 . 0 0 "[ . 1 . 2 . 3]" 1 624 1 46 VAL MG2 1 47 LYS H 5.000 . 5.500 4.096 2.337 4.408 . 0 0 "[ . 1 . 2 . 3]" 1 625 1 47 LYS HA 1 47 LYS QE 6.000 . 6.000 4.843 4.198 5.718 . 0 0 "[ . 1 . 2 . 3]" 1 626 1 47 LYS HA 1 48 MET H 3.000 . 3.000 2.205 2.151 2.307 . 0 0 "[ . 1 . 2 . 3]" 1 627 1 47 LYS H 1 47 LYS HB3 4.000 . 4.000 2.978 2.284 3.637 . 0 0 "[ . 1 . 2 . 3]" 1 628 1 47 LYS H 1 47 LYS HB2 4.000 . 4.000 2.933 2.092 3.643 . 0 0 "[ . 1 . 2 . 3]" 1 629 1 47 LYS HB3 1 48 MET H 5.000 . 5.000 3.715 3.023 4.362 . 0 0 "[ . 1 . 2 . 3]" 1 630 1 47 LYS HB2 1 48 MET H 5.000 . 5.000 3.703 2.793 4.452 . 0 0 "[ . 1 . 2 . 3]" 1 631 1 47 LYS H 1 47 LYS QD 5.000 . 5.000 3.753 1.884 4.871 . 0 0 "[ . 1 . 2 . 3]" 1 632 1 47 LYS QD 1 48 MET H 6.000 . 6.000 4.846 3.347 5.589 . 0 0 "[ . 1 . 2 . 3]" 1 633 1 47 LYS QD 1 160 HIS HE1 6.000 . 6.000 4.229 2.973 6.012 0.012 5 0 "[ . 1 . 2 . 3]" 1 634 1 47 LYS H 1 47 LYS QE 6.000 . 6.000 4.448 3.452 6.003 0.003 16 0 "[ . 1 . 2 . 3]" 1 635 1 47 LYS QE 1 160 HIS HE1 6.000 . 6.000 4.394 2.424 5.989 . 0 0 "[ . 1 . 2 . 3]" 1 636 1 47 LYS H 1 47 LYS HG3 5.000 . 5.000 3.251 1.791 4.734 0.009 20 0 "[ . 1 . 2 . 3]" 1 637 1 47 LYS H 1 47 LYS HG2 5.000 . 5.000 3.206 1.805 4.469 . 0 0 "[ . 1 . 2 . 3]" 1 638 1 47 LYS HG3 1 48 MET H 5.000 . 5.000 4.138 2.334 5.024 0.024 19 0 "[ . 1 . 2 . 3]" 1 639 1 47 LYS HG2 1 48 MET H 5.000 . 5.000 4.042 2.137 5.066 0.066 30 0 "[ . 1 . 2 . 3]" 1 640 1 47 LYS H 1 48 MET H 6.000 . 6.000 4.575 4.508 4.636 . 0 0 "[ . 1 . 2 . 3]" 1 641 1 48 MET HA 1 48 MET ME 4.000 . 4.500 4.470 4.271 4.620 0.120 29 0 "[ . 1 . 2 . 3]" 1 642 1 48 MET HB3 1 49 ASP H 4.000 . 4.000 2.815 2.471 3.146 . 0 0 "[ . 1 . 2 . 3]" 1 643 1 48 MET HB2 1 49 ASP H 4.000 . 4.000 3.919 3.666 4.019 0.019 24 0 "[ . 1 . 2 . 3]" 1 644 1 48 MET ME 1 48 MET HG3 4.000 . 4.000 2.388 2.145 3.301 . 0 0 "[ . 1 . 2 . 3]" 1 645 1 48 MET ME 1 48 MET HG2 4.000 . 4.000 2.827 2.153 3.338 . 0 0 "[ . 1 . 2 . 3]" 1 646 1 48 MET ME 1 51 HIS HD2 4.000 . 4.500 3.915 2.907 4.513 0.013 29 0 "[ . 1 . 2 . 3]" 1 647 1 48 MET ME 1 84 LEU QD 4.000 . 5.000 4.166 3.531 4.893 . 0 0 "[ . 1 . 2 . 3]" 1 648 1 48 MET ME 1 90 TYR QD 5.000 . 5.000 4.032 2.650 4.807 . 0 0 "[ . 1 . 2 . 3]" 1 649 1 48 MET ME 1 90 TYR QE 5.000 . 5.000 2.680 2.043 3.635 . 0 0 "[ . 1 . 2 . 3]" 1 650 1 48 MET H 1 49 ASP H 5.000 . 5.000 4.574 4.507 4.646 . 0 0 "[ . 1 . 2 . 3]" 1 651 1 49 ASP H 1 49 ASP HB3 4.000 . 4.000 3.287 2.384 3.679 . 0 0 "[ . 1 . 2 . 3]" 1 652 1 49 ASP H 1 49 ASP HB2 4.000 . 4.000 2.875 2.203 3.629 . 0 0 "[ . 1 . 2 . 3]" 1 653 1 49 ASP H 1 50 GLN H 4.000 . 4.000 2.389 2.315 2.519 . 0 0 "[ . 1 . 2 . 3]" 1 654 1 49 ASP H 1 51 HIS H 5.000 . 5.000 4.870 4.500 5.010 0.010 11 0 "[ . 1 . 2 . 3]" 1 655 1 50 GLN H 1 51 HIS H 5.000 . 5.000 3.628 3.398 3.741 . 0 0 "[ . 1 . 2 . 3]" 1 656 1 51 HIS HA 1 51 HIS HD2 5.000 . 5.000 3.177 2.351 3.975 . 0 0 "[ . 1 . 2 . 3]" 1 657 1 51 HIS HA 1 52 ARG H 4.000 . 4.000 3.179 2.487 3.389 . 0 0 "[ . 1 . 2 . 3]" 1 658 1 51 HIS HA 1 82 LEU MD1 5.000 . 5.500 4.918 3.396 5.529 0.029 2 0 "[ . 1 . 2 . 3]" 1 659 1 51 HIS HA 1 82 LEU MD2 5.000 . 5.500 4.331 3.056 5.546 0.046 28 0 "[ . 1 . 2 . 3]" 1 660 1 51 HIS QB 1 82 LEU QD 6.000 . 6.500 4.296 3.861 4.844 . 0 0 "[ . 1 . 2 . 3]" 1 661 1 51 HIS HD2 1 82 LEU QB 5.000 . 5.000 4.501 3.676 5.071 0.071 30 0 "[ . 1 . 2 . 3]" 1 662 1 51 HIS HD2 1 82 LEU MD1 5.000 . 5.500 4.308 2.509 5.308 . 0 0 "[ . 1 . 2 . 3]" 1 663 1 51 HIS HD2 1 82 LEU MD2 5.000 . 5.500 3.595 2.501 5.259 . 0 0 "[ . 1 . 2 . 3]" 1 664 1 51 HIS HD2 1 84 LEU QD 5.000 . 5.500 5.237 4.013 5.518 0.018 29 0 "[ . 1 . 2 . 3]" 1 665 1 51 HIS HE1 1 82 LEU QB 5.000 . 5.000 3.472 2.635 4.635 . 0 0 "[ . 1 . 2 . 3]" 1 666 1 51 HIS HE1 1 82 LEU MD1 5.000 . 5.500 2.690 2.076 4.393 . 0 0 "[ . 1 . 2 . 3]" 1 667 1 51 HIS HE1 1 82 LEU MD2 5.000 . 5.500 3.170 2.068 3.791 . 0 0 "[ . 1 . 2 . 3]" 1 668 1 51 HIS HE1 1 84 LEU QD 5.000 . 5.500 3.099 2.238 4.025 . 0 0 "[ . 1 . 2 . 3]" 1 669 1 51 HIS HE1 1 84 LEU HG 5.000 . 5.000 4.627 3.607 5.140 0.140 24 0 "[ . 1 . 2 . 3]" 1 670 1 52 ARG HA 1 53 GLY H 4.000 . 4.000 2.419 2.148 2.488 . 0 0 "[ . 1 . 2 . 3]" 1 671 1 52 ARG HB3 1 53 GLY H 5.000 . 5.000 3.614 2.680 4.213 . 0 0 "[ . 1 . 2 . 3]" 1 672 1 52 ARG HB2 1 53 GLY H 5.000 . 5.000 2.588 2.271 4.212 . 0 0 "[ . 1 . 2 . 3]" 1 673 1 52 ARG HB3 1 164 THR MG 6.000 . 6.500 4.757 3.406 5.468 . 0 0 "[ . 1 . 2 . 3]" 1 674 1 52 ARG HB2 1 164 THR MG 6.000 . 6.500 4.589 3.758 5.290 . 0 0 "[ . 1 . 2 . 3]" 1 675 1 52 ARG QD 1 164 THR MG 4.000 . 4.500 2.942 1.997 4.477 . 0 0 "[ . 1 . 2 . 3]" 1 676 1 52 ARG H 1 52 ARG QG 5.000 . 5.000 2.066 1.797 4.069 0.003 12 0 "[ . 1 . 2 . 3]" 1 677 1 52 ARG QG 1 53 GLY H 5.000 . 5.000 3.698 2.265 4.509 . 0 0 "[ . 1 . 2 . 3]" 1 678 1 52 ARG QG 1 164 THR MG 5.000 . 5.500 4.369 2.793 5.086 . 0 0 "[ . 1 . 2 . 3]" 1 679 1 53 GLY HA3 1 54 PHE H 3.000 . 3.000 2.555 2.362 2.929 . 0 0 "[ . 1 . 2 . 3]" 1 680 1 53 GLY HA2 1 54 PHE H 3.000 . 3.000 2.608 2.285 2.822 . 0 0 "[ . 1 . 2 . 3]" 1 681 1 53 GLY H 1 54 PHE H 5.000 . 5.000 4.358 4.312 4.394 . 0 0 "[ . 1 . 2 . 3]" 1 682 1 53 GLY H 1 165 PHE QE 5.000 . 5.500 3.066 2.308 3.512 . 0 0 "[ . 1 . 2 . 3]" 1 683 1 53 GLY H 1 165 PHE HZ 5.000 . 5.000 3.833 2.749 4.825 . 0 0 "[ . 1 . 2 . 3]" 1 684 1 54 PHE HA 1 55 LEU H 4.000 . 4.000 2.244 2.178 2.399 . 0 0 "[ . 1 . 2 . 3]" 1 685 1 54 PHE HB3 1 55 LEU H 5.000 . 5.000 3.923 3.763 4.102 . 0 0 "[ . 1 . 2 . 3]" 1 686 1 54 PHE HB2 1 55 LEU H 5.000 . 5.000 2.892 2.444 3.132 . 0 0 "[ . 1 . 2 . 3]" 1 687 1 54 PHE QB 1 165 PHE QD 5.000 . 5.500 3.252 2.579 3.817 . 0 0 "[ . 1 . 2 . 3]" 1 688 1 54 PHE H 1 54 PHE QD 5.000 . 5.500 2.799 2.311 3.305 . 0 0 "[ . 1 . 2 . 3]" 1 689 1 54 PHE QD 1 55 LEU H 5.000 . 5.500 4.022 3.331 4.357 . 0 0 "[ . 1 . 2 . 3]" 1 690 1 54 PHE QD 1 165 PHE QB 5.000 . 5.500 4.451 3.595 5.071 . 0 0 "[ . 1 . 2 . 3]" 1 691 1 54 PHE H 1 54 PHE QE 6.000 . 6.500 4.045 3.760 4.372 . 0 0 "[ . 1 . 2 . 3]" 1 692 1 54 PHE QE 1 55 LEU H 6.000 . 6.500 6.098 5.540 6.411 . 0 0 "[ . 1 . 2 . 3]" 1 693 1 54 PHE H 1 55 LEU H 5.000 . 5.000 4.323 4.197 4.405 . 0 0 "[ . 1 . 2 . 3]" 1 694 1 55 LEU HA 1 56 HIS H 3.000 . 3.000 2.495 2.174 2.567 . 0 0 "[ . 1 . 2 . 3]" 1 695 1 55 LEU HB3 1 56 HIS H 5.000 . 5.000 2.402 2.096 3.858 . 0 0 "[ . 1 . 2 . 3]" 1 696 1 55 LEU HB2 1 56 HIS H 5.000 . 5.000 3.430 2.589 4.403 . 0 0 "[ . 1 . 2 . 3]" 1 697 1 55 LEU H 1 55 LEU MD1 5.000 . 5.500 3.236 1.776 4.375 0.024 10 0 "[ . 1 . 2 . 3]" 1 698 1 55 LEU H 1 55 LEU MD2 5.000 . 5.500 4.166 1.845 4.514 . 0 0 "[ . 1 . 2 . 3]" 1 699 1 55 LEU QD 1 56 HIS H 5.000 . 5.500 3.187 1.792 3.954 0.008 28 0 "[ . 1 . 2 . 3]" 1 700 1 55 LEU QD 1 71 ALA MB 4.000 . 5.000 3.637 2.282 4.892 . 0 0 "[ . 1 . 2 . 3]" 1 701 1 55 LEU QD 1 75 PHE HA 4.000 . 4.500 2.534 2.041 3.513 . 0 0 "[ . 1 . 2 . 3]" 1 702 1 55 LEU QD 1 75 PHE H 4.000 . 4.500 3.528 3.019 4.500 0.000 28 0 "[ . 1 . 2 . 3]" 1 703 1 55 LEU QD 1 75 PHE QD 5.000 . 6.000 2.746 2.172 3.660 . 0 0 "[ . 1 . 2 . 3]" 1 704 1 55 LEU QD 1 75 PHE QE 5.000 . 6.000 4.381 3.660 5.356 . 0 0 "[ . 1 . 2 . 3]" 1 705 1 55 LEU QD 1 75 PHE QB 5.000 . 5.500 2.435 2.035 3.567 . 0 0 "[ . 1 . 2 . 3]" 1 706 1 55 LEU QD 1 78 LEU HB3 5.000 . 5.500 4.577 3.660 5.382 . 0 0 "[ . 1 . 2 . 3]" 1 707 1 55 LEU QD 1 78 LEU HB2 5.000 . 5.500 4.796 2.935 5.521 0.021 2 0 "[ . 1 . 2 . 3]" 1 708 1 55 LEU MD1 1 78 LEU MD1 5.000 . 6.000 3.628 1.974 5.176 . 0 0 "[ . 1 . 2 . 3]" 1 709 1 55 LEU MD1 1 78 LEU MD2 5.000 . 6.000 3.226 2.172 6.007 0.007 30 0 "[ . 1 . 2 . 3]" 1 710 1 55 LEU MD2 1 78 LEU MD1 5.000 . 6.000 4.176 2.492 5.928 . 0 0 "[ . 1 . 2 . 3]" 1 711 1 55 LEU MD2 1 78 LEU MD2 5.000 . 6.000 3.499 2.039 5.941 . 0 0 "[ . 1 . 2 . 3]" 1 712 1 55 LEU QD 1 78 LEU H 5.000 . 5.500 4.866 4.056 5.398 . 0 0 "[ . 1 . 2 . 3]" 1 713 1 55 LEU H 1 55 LEU HG 5.000 . 5.500 3.492 2.265 4.639 . 0 0 "[ . 1 . 2 . 3]" 1 714 1 56 HIS HA 1 57 ASN H 4.000 . 4.000 2.319 2.190 2.536 . 0 0 "[ . 1 . 2 . 3]" 1 715 1 56 HIS H 1 56 HIS HD2 5.000 . 5.000 3.517 1.820 4.965 . 0 0 "[ . 1 . 2 . 3]" 1 716 1 57 ASN HA 1 58 GLN H 4.000 . 4.000 2.464 2.171 2.954 . 0 0 "[ . 1 . 2 . 3]" 1 717 1 57 ASN H 1 71 ALA HA 5.000 . 5.000 4.833 4.012 5.079 0.079 2 0 "[ . 1 . 2 . 3]" 1 718 1 58 GLN H 1 69 ARG H 4.000 . 4.000 3.648 2.410 4.013 0.013 28 0 "[ . 1 . 2 . 3]" 1 719 1 58 GLN H 1 70 HIS HA 4.000 . 4.000 3.873 2.905 4.053 0.053 2 0 "[ . 1 . 2 . 3]" 1 720 1 59 ALA HA 1 60 LYS H 5.000 . 5.000 2.843 2.155 3.574 . 0 0 "[ . 1 . 2 . 3]" 1 721 1 59 ALA MB 1 60 LYS H 4.000 . 4.500 2.749 1.752 3.725 0.048 3 0 "[ . 1 . 2 . 3]" 1 722 1 60 LYS HA 1 61 ASN H 4.000 . 4.000 2.763 2.150 3.578 . 0 0 "[ . 1 . 2 . 3]" 1 723 1 60 LYS QB 1 60 LYS QE 4.000 . 4.000 3.196 2.040 3.787 . 0 0 "[ . 1 . 2 . 3]" 1 724 1 60 LYS QE 1 62 LEU MD1 5.000 . 5.500 4.510 2.672 5.520 0.020 2 0 "[ . 1 . 2 . 3]" 1 725 1 60 LYS QE 1 62 LEU MD2 5.000 . 5.500 4.445 2.393 5.507 0.007 11 0 "[ . 1 . 2 . 3]" 1 726 1 60 LYS H 1 61 ASN H 5.000 . 5.000 3.471 1.837 4.628 . 0 0 "[ . 1 . 2 . 3]" 1 727 1 61 ASN HA 1 62 LEU H 3.000 . 3.000 2.578 2.134 3.183 0.183 10 0 "[ . 1 . 2 . 3]" 1 728 1 61 ASN H 1 62 LEU H 6.000 . 6.000 3.312 2.079 4.343 . 0 0 "[ . 1 . 2 . 3]" 1 729 1 61 ASN H 1 63 LEU QD 5.000 . 5.500 5.229 4.639 5.672 0.172 29 0 "[ . 1 . 2 . 3]" 1 730 1 61 ASN H 1 66 PHE QB 5.000 . 5.500 5.090 3.223 5.641 0.141 26 0 "[ . 1 . 2 . 3]" 1 731 1 62 LEU HA 1 62 LEU QD 4.000 . 4.500 2.670 1.933 3.424 . 0 0 "[ . 1 . 2 . 3]" 1 732 1 62 LEU HA 1 63 LEU H 5.000 . 5.000 3.378 3.158 3.588 . 0 0 "[ . 1 . 2 . 3]" 1 733 1 62 LEU QD 1 63 LEU H 5.000 . 5.500 3.411 1.777 4.427 0.023 2 0 "[ . 1 . 2 . 3]" 1 734 1 62 LEU QD 1 67 TYR QD 4.000 . 5.000 4.175 2.570 5.033 0.033 7 0 "[ . 1 . 2 . 3]" 1 735 1 62 LEU QD 1 67 TYR QE 4.000 . 5.000 4.374 2.560 5.241 0.241 29 0 "[ . 1 . 2 . 3]" 1 736 1 63 LEU HA 1 63 LEU MD1 4.000 . 4.000 2.912 2.170 4.103 0.103 26 0 "[ . 1 . 2 . 3]" 1 737 1 63 LEU HA 1 63 LEU MD2 4.000 . 4.000 3.354 2.173 3.967 . 0 0 "[ . 1 . 2 . 3]" 1 738 1 63 LEU H 1 63 LEU HA 3.000 . 3.000 2.835 2.750 2.920 . 0 0 "[ . 1 . 2 . 3]" 1 739 1 63 LEU H 1 63 LEU HB3 4.000 . 4.000 3.346 2.428 3.605 . 0 0 "[ . 1 . 2 . 3]" 1 740 1 63 LEU H 1 63 LEU HB2 4.000 . 4.000 2.489 2.105 3.627 . 0 0 "[ . 1 . 2 . 3]" 1 741 1 63 LEU QB 1 64 CYS H 5.000 . 5.000 2.756 2.381 3.739 . 0 0 "[ . 1 . 2 . 3]" 1 742 1 63 LEU QB 1 67 TYR QD 6.000 . 6.500 6.003 3.374 6.526 0.026 14 0 "[ . 1 . 2 . 3]" 1 743 1 63 LEU H 1 63 LEU MD1 5.000 . 5.500 2.698 1.801 4.240 . 0 0 "[ . 1 . 2 . 3]" 1 744 1 63 LEU H 1 63 LEU MD2 5.000 . 5.500 3.480 1.939 4.331 . 0 0 "[ . 1 . 2 . 3]" 1 745 1 63 LEU H 1 64 CYS H 5.000 . 5.000 2.643 2.267 2.939 . 0 0 "[ . 1 . 2 . 3]" 1 746 1 64 CYS H 1 65 GLY H 5.000 . 5.000 2.321 1.970 2.763 . 0 0 "[ . 1 . 2 . 3]" 1 747 1 65 GLY HA3 1 66 PHE H 5.000 . 5.000 3.415 3.081 3.567 . 0 0 "[ . 1 . 2 . 3]" 1 748 1 65 GLY HA2 1 66 PHE H 5.000 . 5.000 3.019 2.706 3.435 . 0 0 "[ . 1 . 2 . 3]" 1 749 1 66 PHE H 1 67 TYR H 6.000 . 6.000 3.000 1.974 4.019 . 0 0 "[ . 1 . 2 . 3]" 1 750 1 67 TYR HA 1 67 TYR QD 4.000 . 4.500 3.000 2.339 3.671 . 0 0 "[ . 1 . 2 . 3]" 1 751 1 67 TYR HA 1 67 TYR QE 5.000 . 5.500 4.771 4.173 5.585 0.085 24 0 "[ . 1 . 2 . 3]" 1 752 1 67 TYR H 1 67 TYR QD 5.000 . 5.500 2.872 1.803 4.240 . 0 0 "[ . 1 . 2 . 3]" 1 753 1 69 ARG H 1 70 HIS H 5.000 . 5.000 4.342 3.968 4.567 . 0 0 "[ . 1 . 2 . 3]" 1 754 1 70 HIS H 1 71 ALA H 5.000 . 5.000 4.604 4.525 4.648 . 0 0 "[ . 1 . 2 . 3]" 1 755 1 71 ALA HA 1 74 ARG QB 5.000 . 5.000 2.617 2.105 3.134 . 0 0 "[ . 1 . 2 . 3]" 1 756 1 71 ALA MB 1 72 GLU H 5.000 . 5.500 2.760 2.418 3.099 . 0 0 "[ . 1 . 2 . 3]" 1 757 1 71 ALA H 1 72 GLU H 4.000 . 4.000 2.666 2.391 3.011 . 0 0 "[ . 1 . 2 . 3]" 1 758 1 71 ALA H 1 73 LEU H 5.000 . 5.000 4.539 4.047 5.041 0.041 22 0 "[ . 1 . 2 . 3]" 1 759 1 72 GLU HA 1 75 PHE QB 5.000 . 5.000 2.738 2.308 3.347 . 0 0 "[ . 1 . 2 . 3]" 1 760 1 72 GLU HA 1 75 PHE H 5.000 . 5.000 3.666 3.264 4.020 . 0 0 "[ . 1 . 2 . 3]" 1 761 1 72 GLU H 1 72 GLU QG 5.000 . 5.000 2.726 1.801 4.015 . 0 0 "[ . 1 . 2 . 3]" 1 762 1 72 GLU H 1 73 LEU H 4.000 . 4.000 2.858 2.565 3.123 . 0 0 "[ . 1 . 2 . 3]" 1 763 1 72 GLU H 1 74 ARG H 5.000 . 5.000 4.396 4.084 4.713 . 0 0 "[ . 1 . 2 . 3]" 1 764 1 73 LEU HA 1 76 LEU H 5.000 . 5.000 3.327 3.024 3.759 . 0 0 "[ . 1 . 2 . 3]" 1 765 1 73 LEU HA 1 76 LEU QB 5.000 . 5.000 2.705 2.314 3.349 . 0 0 "[ . 1 . 2 . 3]" 1 766 1 73 LEU H 1 73 LEU MD1 5.000 . 5.500 2.679 1.829 4.060 . 0 0 "[ . 1 . 2 . 3]" 1 767 1 73 LEU H 1 73 LEU MD2 5.000 . 5.500 3.576 2.380 4.252 . 0 0 "[ . 1 . 2 . 3]" 1 768 1 73 LEU MD1 1 74 ARG H 6.000 . 6.500 4.156 3.908 4.606 . 0 0 "[ . 1 . 2 . 3]" 1 769 1 73 LEU MD2 1 74 ARG H 6.000 . 6.500 4.472 4.018 4.811 . 0 0 "[ . 1 . 2 . 3]" 1 770 1 73 LEU QD 1 76 LEU MD2 4.000 . 5.000 4.100 2.931 5.019 0.019 30 0 "[ . 1 . 2 . 3]" 1 771 1 73 LEU MD1 1 106 CYS H 5.000 . 5.500 4.704 3.684 5.583 0.083 19 0 "[ . 1 . 2 . 3]" 1 772 1 73 LEU MD2 1 106 CYS H 5.000 . 5.500 5.204 4.277 5.693 0.193 26 0 "[ . 1 . 2 . 3]" 1 773 1 73 LEU QD 1 109 GLU H 6.000 . 6.500 4.371 3.720 5.032 . 0 0 "[ . 1 . 2 . 3]" 1 774 1 73 LEU QD 1 110 VAL H 6.000 . 6.500 5.148 4.447 6.179 . 0 0 "[ . 1 . 2 . 3]" 1 775 1 73 LEU H 1 73 LEU HG 4.000 . 4.000 3.217 1.809 4.337 0.337 19 0 "[ . 1 . 2 . 3]" 1 776 1 73 LEU H 1 74 ARG H 4.000 . 4.000 2.772 2.457 2.942 . 0 0 "[ . 1 . 2 . 3]" 1 777 1 73 LEU H 1 75 PHE H 5.000 . 5.000 3.998 3.693 4.603 . 0 0 "[ . 1 . 2 . 3]" 1 778 1 74 ARG HA 1 77 ASP QB 5.000 . 5.000 2.725 2.328 3.708 . 0 0 "[ . 1 . 2 . 3]" 1 779 1 74 ARG HB3 1 75 PHE H 5.000 . 5.000 3.115 2.479 3.988 . 0 0 "[ . 1 . 2 . 3]" 1 780 1 74 ARG H 1 75 PHE H 4.000 . 4.000 2.759 2.528 3.062 . 0 0 "[ . 1 . 2 . 3]" 1 781 1 74 ARG H 1 76 LEU H 5.000 . 5.000 4.385 3.942 4.967 . 0 0 "[ . 1 . 2 . 3]" 1 782 1 74 ARG H 1 77 ASP H 6.000 . 6.000 4.889 4.659 5.278 . 0 0 "[ . 1 . 2 . 3]" 1 783 1 75 PHE HA 1 75 PHE QE 5.000 . 5.500 4.629 4.416 4.891 . 0 0 "[ . 1 . 2 . 3]" 1 784 1 75 PHE HA 1 76 LEU H 5.000 . 5.000 3.553 3.481 3.576 . 0 0 "[ . 1 . 2 . 3]" 1 785 1 75 PHE HA 1 78 LEU QD 5.000 . 5.500 2.787 2.200 4.207 . 0 0 "[ . 1 . 2 . 3]" 1 786 1 75 PHE HA 1 78 LEU H 5.000 . 5.000 3.560 3.207 4.132 . 0 0 "[ . 1 . 2 . 3]" 1 787 1 75 PHE H 1 75 PHE HB3 4.000 . 4.000 2.299 2.197 2.470 . 0 0 "[ . 1 . 2 . 3]" 1 788 1 75 PHE H 1 75 PHE HB2 4.000 . 4.000 2.865 2.576 3.083 . 0 0 "[ . 1 . 2 . 3]" 1 789 1 75 PHE HB3 1 76 LEU MD2 6.000 . 6.500 5.554 3.036 6.374 . 0 0 "[ . 1 . 2 . 3]" 1 790 1 75 PHE HB3 1 76 LEU H 5.000 . 5.000 2.601 2.281 3.000 . 0 0 "[ . 1 . 2 . 3]" 1 791 1 75 PHE HB2 1 76 LEU H 5.000 . 5.000 3.949 3.728 4.177 . 0 0 "[ . 1 . 2 . 3]" 1 792 1 75 PHE QB 1 78 LEU QD 5.000 . 5.500 3.884 3.435 4.851 . 0 0 "[ . 1 . 2 . 3]" 1 793 1 75 PHE H 1 75 PHE QD 5.000 . 5.500 4.085 3.873 4.194 . 0 0 "[ . 1 . 2 . 3]" 1 794 1 75 PHE QD 1 76 LEU QD 5.000 . 6.000 3.212 2.192 3.920 . 0 0 "[ . 1 . 2 . 3]" 1 795 1 75 PHE QD 1 76 LEU H 4.000 . 4.500 3.185 2.382 3.920 . 0 0 "[ . 1 . 2 . 3]" 1 796 1 75 PHE QD 1 78 LEU QD 5.000 . 6.000 2.661 2.220 3.249 . 0 0 "[ . 1 . 2 . 3]" 1 797 1 75 PHE QD 1 79 VAL QG 5.000 . 6.000 3.718 2.943 5.465 . 0 0 "[ . 1 . 2 . 3]" 1 798 1 75 PHE QD 1 122 LEU QD 6.000 . 7.000 5.113 4.655 5.836 . 0 0 "[ . 1 . 2 . 3]" 1 799 1 75 PHE QE 1 76 LEU QD 5.000 . 6.000 3.401 2.390 4.441 . 0 0 "[ . 1 . 2 . 3]" 1 800 1 75 PHE QE 1 78 LEU QD 4.000 . 5.000 3.056 2.194 3.760 . 0 0 "[ . 1 . 2 . 3]" 1 801 1 75 PHE QE 1 79 VAL QG 4.000 . 5.000 3.073 2.204 5.022 0.022 30 0 "[ . 1 . 2 . 3]" 1 802 1 75 PHE QE 1 82 LEU QD 5.000 . 6.000 3.840 2.796 4.633 . 0 0 "[ . 1 . 2 . 3]" 1 803 1 75 PHE QE 1 92 VAL QG 4.000 . 5.000 2.969 2.478 3.938 . 0 0 "[ . 1 . 2 . 3]" 1 804 1 75 PHE QE 1 94 TRP HE1 5.000 . 5.500 2.063 1.793 3.126 0.007 18 0 "[ . 1 . 2 . 3]" 1 805 1 75 PHE QE 1 94 TRP HZ2 5.000 . 5.500 2.436 2.318 3.004 . 0 0 "[ . 1 . 2 . 3]" 1 806 1 75 PHE QE 1 122 LEU QD 5.000 . 6.000 4.030 3.697 4.565 . 0 0 "[ . 1 . 2 . 3]" 1 807 1 75 PHE H 1 76 LEU H 4.000 . 4.000 2.569 2.358 2.861 . 0 0 "[ . 1 . 2 . 3]" 1 808 1 75 PHE H 1 77 ASP H 5.000 . 5.000 3.751 3.471 4.020 . 0 0 "[ . 1 . 2 . 3]" 1 809 1 75 PHE HZ 1 78 LEU MD1 5.000 . 5.500 5.010 3.439 5.582 0.082 13 0 "[ . 1 . 2 . 3]" 1 810 1 75 PHE HZ 1 78 LEU MD2 6.000 . 7.000 5.952 3.562 7.046 0.046 8 0 "[ . 1 . 2 . 3]" 1 811 1 75 PHE HZ 1 79 VAL QG 5.000 . 5.500 3.216 2.423 5.366 . 0 0 "[ . 1 . 2 . 3]" 1 812 1 75 PHE HZ 1 92 VAL QG 4.000 . 4.000 2.774 2.262 3.399 . 0 0 "[ . 1 . 2 . 3]" 1 813 1 75 PHE HZ 1 94 TRP HD1 5.000 . 5.000 4.955 4.635 5.058 0.058 18 0 "[ . 1 . 2 . 3]" 1 814 1 75 PHE HZ 1 94 TRP HE1 5.000 . 5.000 3.308 3.005 3.610 . 0 0 "[ . 1 . 2 . 3]" 1 815 1 75 PHE HZ 1 122 LEU MD2 5.000 . 5.500 5.413 4.997 5.618 0.118 29 0 "[ . 1 . 2 . 3]" 1 816 1 76 LEU HA 1 77 ASP H 5.000 . 5.000 3.443 3.427 3.521 . 0 0 "[ . 1 . 2 . 3]" 1 817 1 76 LEU HA 1 78 LEU H 5.000 . 5.000 3.998 3.329 4.680 . 0 0 "[ . 1 . 2 . 3]" 1 818 1 76 LEU HA 1 79 VAL HB 5.000 . 5.000 2.862 2.337 4.773 . 0 0 "[ . 1 . 2 . 3]" 1 819 1 76 LEU HA 1 79 VAL MG1 5.000 . 5.500 4.087 3.532 5.546 0.046 30 0 "[ . 1 . 2 . 3]" 1 820 1 76 LEU HA 1 79 VAL MG2 5.000 . 5.500 2.547 2.076 3.704 . 0 0 "[ . 1 . 2 . 3]" 1 821 1 76 LEU HA 1 79 VAL H 5.000 . 5.000 3.366 2.973 3.695 . 0 0 "[ . 1 . 2 . 3]" 1 822 1 76 LEU QB 1 77 ASP H 5.000 . 5.000 2.995 2.740 3.086 . 0 0 "[ . 1 . 2 . 3]" 1 823 1 76 LEU H 1 76 LEU MD1 5.000 . 5.500 3.712 3.115 4.156 . 0 0 "[ . 1 . 2 . 3]" 1 824 1 76 LEU H 1 76 LEU MD2 5.000 . 5.500 3.974 2.293 4.366 . 0 0 "[ . 1 . 2 . 3]" 1 825 1 76 LEU QD 1 77 ASP H 5.000 . 5.500 4.185 3.808 4.321 . 0 0 "[ . 1 . 2 . 3]" 1 826 1 76 LEU QD 1 79 VAL MG1 5.000 . 6.000 3.322 2.381 4.655 . 0 0 "[ . 1 . 2 . 3]" 1 827 1 76 LEU QD 1 79 VAL MG2 5.000 . 6.000 2.615 2.031 3.178 . 0 0 "[ . 1 . 2 . 3]" 1 828 1 76 LEU QD 1 94 TRP HE1 6.000 . 6.500 4.639 3.993 5.315 . 0 0 "[ . 1 . 2 . 3]" 1 829 1 76 LEU QD 1 94 TRP HZ2 5.000 . 5.500 2.731 2.076 3.357 . 0 0 "[ . 1 . 2 . 3]" 1 830 1 76 LEU QD 1 94 TRP HZ3 5.000 . 5.500 4.822 3.881 5.518 0.018 12 0 "[ . 1 . 2 . 3]" 1 831 1 76 LEU QD 1 109 GLU QB 5.000 . 5.500 2.538 2.042 4.010 . 0 0 "[ . 1 . 2 . 3]" 1 832 1 76 LEU QD 1 109 GLU QG 5.000 . 5.500 3.255 1.994 4.977 . 0 0 "[ . 1 . 2 . 3]" 1 833 1 76 LEU QD 1 110 VAL HA 5.000 . 5.500 3.118 2.241 3.825 . 0 0 "[ . 1 . 2 . 3]" 1 834 1 76 LEU MD1 1 110 VAL MG1 5.000 . 6.000 4.392 3.188 5.996 . 0 0 "[ . 1 . 2 . 3]" 1 835 1 76 LEU MD1 1 110 VAL MG2 5.000 . 6.000 3.259 1.909 5.164 . 0 0 "[ . 1 . 2 . 3]" 1 836 1 76 LEU MD2 1 110 VAL MG1 5.000 . 6.000 4.954 3.451 6.010 0.010 24 0 "[ . 1 . 2 . 3]" 1 837 1 76 LEU MD2 1 110 VAL MG2 5.000 . 6.000 3.779 2.051 4.679 . 0 0 "[ . 1 . 2 . 3]" 1 838 1 76 LEU QD 1 110 VAL H 5.000 . 5.500 4.135 3.193 5.138 . 0 0 "[ . 1 . 2 . 3]" 1 839 1 76 LEU QD 1 113 PHE QB 4.000 . 4.500 2.772 2.076 3.479 . 0 0 "[ . 1 . 2 . 3]" 1 840 1 76 LEU QD 1 113 PHE QD 4.000 . 5.000 2.910 2.202 3.884 . 0 0 "[ . 1 . 2 . 3]" 1 841 1 76 LEU QD 1 113 PHE QE 5.000 . 6.000 3.554 2.439 4.545 . 0 0 "[ . 1 . 2 . 3]" 1 842 1 76 LEU MD1 1 113 PHE H 6.000 . 6.500 4.950 4.019 6.023 . 0 0 "[ . 1 . 2 . 3]" 1 843 1 76 LEU MD2 1 113 PHE H 6.000 . 6.500 4.799 3.668 6.129 . 0 0 "[ . 1 . 2 . 3]" 1 844 1 76 LEU QD 1 113 PHE HZ 6.000 . 7.000 4.486 3.445 5.439 . 0 0 "[ . 1 . 2 . 3]" 1 845 1 76 LEU QD 1 114 LEU H 6.000 . 6.500 5.434 4.783 6.082 . 0 0 "[ . 1 . 2 . 3]" 1 846 1 76 LEU H 1 76 LEU HG 5.000 . 5.000 4.089 2.429 4.491 . 0 0 "[ . 1 . 2 . 3]" 1 847 1 76 LEU HG 1 77 ASP H 6.000 . 6.000 4.758 4.352 5.526 . 0 0 "[ . 1 . 2 . 3]" 1 848 1 76 LEU H 1 77 ASP H 4.000 . 4.000 2.621 2.481 2.881 . 0 0 "[ . 1 . 2 . 3]" 1 849 1 76 LEU H 1 78 LEU H 5.000 . 5.000 4.309 3.954 4.903 . 0 0 "[ . 1 . 2 . 3]" 1 850 1 77 ASP H 1 77 ASP HA 3.000 . 3.000 2.852 2.723 2.898 . 0 0 "[ . 1 . 2 . 3]" 1 851 1 77 ASP HA 1 78 LEU H 5.000 . 5.000 3.490 3.397 3.585 . 0 0 "[ . 1 . 2 . 3]" 1 852 1 77 ASP H 1 77 ASP HB3 4.000 . 4.000 2.863 2.057 3.606 . 0 0 "[ . 1 . 2 . 3]" 1 853 1 77 ASP H 1 77 ASP HB2 4.000 . 4.000 2.492 2.076 3.434 . 0 0 "[ . 1 . 2 . 3]" 1 854 1 77 ASP HB3 1 78 LEU H 5.000 . 5.000 3.201 2.289 4.090 . 0 0 "[ . 1 . 2 . 3]" 1 855 1 77 ASP HB2 1 78 LEU H 5.000 . 5.000 3.698 2.922 4.462 . 0 0 "[ . 1 . 2 . 3]" 1 856 1 77 ASP H 1 78 LEU MD2 6.000 . 6.500 4.865 3.845 6.250 . 0 0 "[ . 1 . 2 . 3]" 1 857 1 77 ASP H 1 78 LEU H 3.000 . 3.000 2.562 2.362 2.873 . 0 0 "[ . 1 . 2 . 3]" 1 858 1 77 ASP H 1 79 VAL H 5.000 . 5.000 3.908 3.580 4.821 . 0 0 "[ . 1 . 2 . 3]" 1 859 1 78 LEU HA 1 78 LEU MD1 4.000 . 4.500 3.555 2.178 4.074 . 0 0 "[ . 1 . 2 . 3]" 1 860 1 78 LEU HA 1 78 LEU MD2 4.000 . 4.500 3.674 2.174 4.099 . 0 0 "[ . 1 . 2 . 3]" 1 861 1 78 LEU H 1 78 LEU HA 3.000 . 3.000 2.924 2.836 2.962 . 0 0 "[ . 1 . 2 . 3]" 1 862 1 78 LEU HA 1 79 VAL H 5.000 . 5.000 3.293 3.178 3.569 . 0 0 "[ . 1 . 2 . 3]" 1 863 1 78 LEU H 1 78 LEU HB3 4.000 . 4.000 2.839 2.192 3.509 . 0 0 "[ . 1 . 2 . 3]" 1 864 1 78 LEU H 1 78 LEU HB2 4.000 . 4.000 3.350 2.096 3.742 . 0 0 "[ . 1 . 2 . 3]" 1 865 1 78 LEU HB3 1 79 VAL H 5.000 . 5.000 4.104 2.918 4.496 . 0 0 "[ . 1 . 2 . 3]" 1 866 1 78 LEU HB2 1 79 VAL H 5.000 . 5.000 4.208 2.820 4.526 . 0 0 "[ . 1 . 2 . 3]" 1 867 1 78 LEU H 1 78 LEU QD 4.000 . 4.500 2.852 1.934 3.712 . 0 0 "[ . 1 . 2 . 3]" 1 868 1 78 LEU QD 1 79 VAL HA 5.000 . 5.500 3.050 2.165 5.139 . 0 0 "[ . 1 . 2 . 3]" 1 869 1 78 LEU MD1 1 79 VAL H 5.000 . 5.500 3.750 1.929 5.288 . 0 0 "[ . 1 . 2 . 3]" 1 870 1 78 LEU MD2 1 79 VAL H 5.000 . 5.500 4.289 2.170 4.865 . 0 0 "[ . 1 . 2 . 3]" 1 871 1 78 LEU QD 1 81 SER QB 5.000 . 5.500 3.251 1.913 4.079 . 0 0 "[ . 1 . 2 . 3]" 1 872 1 78 LEU MD1 1 82 LEU QB 6.000 . 6.500 5.427 3.899 6.536 0.036 29 0 "[ . 1 . 2 . 3]" 1 873 1 78 LEU QD 1 82 LEU QD 4.000 . 5.000 2.812 1.767 3.686 0.033 30 0 "[ . 1 . 2 . 3]" 1 874 1 78 LEU H 1 78 LEU HG 4.000 . 4.000 2.614 1.781 4.373 0.373 24 0 "[ . 1 . 2 . 3]" 1 875 1 78 LEU HG 1 79 VAL H 5.000 . 5.000 3.657 2.384 5.147 0.147 15 0 "[ . 1 . 2 . 3]" 1 876 1 78 LEU H 1 79 VAL H 3.000 . 3.000 2.377 2.150 2.706 . 0 0 "[ . 1 . 2 . 3]" 1 877 1 79 VAL HA 1 82 LEU MD1 5.000 . 5.500 2.997 2.234 5.534 0.034 10 0 "[ . 1 . 2 . 3]" 1 878 1 79 VAL HA 1 82 LEU MD2 5.000 . 5.500 4.100 2.746 4.932 . 0 0 "[ . 1 . 2 . 3]" 1 879 1 79 VAL HA 1 82 LEU H 5.000 . 5.000 3.941 3.217 4.355 . 0 0 "[ . 1 . 2 . 3]" 1 880 1 79 VAL HA 1 84 LEU QD 5.000 . 5.500 4.515 3.740 5.519 0.019 21 0 "[ . 1 . 2 . 3]" 1 881 1 79 VAL H 1 79 VAL HB 4.000 . 4.000 2.182 2.090 2.396 . 0 0 "[ . 1 . 2 . 3]" 1 882 1 79 VAL HB 1 80 PRO QD 5.000 . 5.000 2.219 2.063 2.289 . 0 0 "[ . 1 . 2 . 3]" 1 883 1 79 VAL HB 1 113 PHE QE 5.000 . 5.500 4.436 3.846 4.914 . 0 0 "[ . 1 . 2 . 3]" 1 884 1 79 VAL HB 1 113 PHE HZ 5.000 . 5.000 4.878 4.151 5.013 0.013 27 0 "[ . 1 . 2 . 3]" 1 885 1 79 VAL H 1 79 VAL MG1 4.000 . 4.500 3.555 3.436 3.741 . 0 0 "[ . 1 . 2 . 3]" 1 886 1 79 VAL H 1 79 VAL MG2 4.000 . 4.500 2.841 2.356 3.086 . 0 0 "[ . 1 . 2 . 3]" 1 887 1 79 VAL QG 1 82 LEU QD 5.000 . 6.000 2.910 2.152 3.695 . 0 0 "[ . 1 . 2 . 3]" 1 888 1 79 VAL MG1 1 84 LEU MD1 5.000 . 6.000 3.204 2.251 5.323 . 0 0 "[ . 1 . 2 . 3]" 1 889 1 79 VAL MG1 1 84 LEU MD2 5.000 . 6.000 5.045 3.853 5.855 . 0 0 "[ . 1 . 2 . 3]" 1 890 1 79 VAL MG2 1 84 LEU MD1 5.000 . 6.000 3.784 2.581 5.359 . 0 0 "[ . 1 . 2 . 3]" 1 891 1 79 VAL MG2 1 84 LEU MD2 5.000 . 6.000 5.461 4.372 5.999 . 0 0 "[ . 1 . 2 . 3]" 1 892 1 79 VAL MG1 1 84 LEU HG 5.000 . 5.500 4.571 3.560 5.272 . 0 0 "[ . 1 . 2 . 3]" 1 893 1 79 VAL MG1 1 113 PHE QE 5.000 . 6.000 2.578 2.175 3.016 . 0 0 "[ . 1 . 2 . 3]" 1 894 1 79 VAL MG1 1 113 PHE HZ 4.000 . 4.500 2.401 2.143 3.115 . 0 0 "[ . 1 . 2 . 3]" 1 895 1 79 VAL MG2 1 113 PHE QD 5.000 . 6.000 4.723 3.911 5.484 . 0 0 "[ . 1 . 2 . 3]" 1 896 1 79 VAL MG2 1 113 PHE QE 5.000 . 6.000 3.860 2.615 4.551 . 0 0 "[ . 1 . 2 . 3]" 1 897 1 79 VAL MG2 1 113 PHE HZ 4.000 . 4.500 3.846 2.347 4.537 0.037 12 0 "[ . 1 . 2 . 3]" 1 898 1 79 VAL MG1 1 120 VAL MG2 6.000 . 7.000 5.600 4.627 6.407 . 0 0 "[ . 1 . 2 . 3]" 1 899 1 79 VAL MG2 1 120 VAL MG2 6.000 . 7.000 5.743 4.794 6.402 . 0 0 "[ . 1 . 2 . 3]" 1 900 1 79 VAL H 1 80 PRO QD 4.000 . 4.000 2.213 2.081 2.444 . 0 0 "[ . 1 . 2 . 3]" 1 901 1 79 VAL H 1 81 SER H 5.000 . 5.000 4.088 3.936 4.467 . 0 0 "[ . 1 . 2 . 3]" 1 902 1 80 PRO HA 1 81 SER H 5.000 . 5.000 3.467 3.435 3.560 . 0 0 "[ . 1 . 2 . 3]" 1 903 1 80 PRO HB3 1 81 SER H 5.000 . 5.000 4.287 3.951 4.389 . 0 0 "[ . 1 . 2 . 3]" 1 904 1 80 PRO HB2 1 81 SER H 5.000 . 5.000 3.257 2.580 3.659 . 0 0 "[ . 1 . 2 . 3]" 1 905 1 80 PRO QG 1 81 SER H 5.000 . 5.000 3.498 2.499 4.017 . 0 0 "[ . 1 . 2 . 3]" 1 906 1 80 PRO QD 1 81 SER H 5.000 . 5.000 2.782 2.386 3.354 . 0 0 "[ . 1 . 2 . 3]" 1 907 1 81 SER H 1 81 SER HA 3.000 . 3.000 2.832 2.773 2.913 . 0 0 "[ . 1 . 2 . 3]" 1 908 1 81 SER HA 1 82 LEU MD1 5.000 . 6.000 5.669 3.894 6.228 0.228 16 0 "[ . 1 . 2 . 3]" 1 909 1 81 SER HA 1 82 LEU MD2 5.000 . 6.000 5.207 4.055 6.251 0.251 30 0 "[ . 1 . 2 . 3]" 1 910 1 81 SER HA 1 82 LEU H 5.000 . 5.000 3.387 3.325 3.543 . 0 0 "[ . 1 . 2 . 3]" 1 911 1 81 SER HA 1 83 GLN H 5.000 . 5.000 4.254 3.169 5.028 0.028 30 0 "[ . 1 . 2 . 3]" 1 912 1 81 SER H 1 81 SER HB3 4.000 . 4.000 2.844 2.092 3.597 . 0 0 "[ . 1 . 2 . 3]" 1 913 1 81 SER H 1 81 SER HB2 4.000 . 4.000 2.826 2.076 3.579 . 0 0 "[ . 1 . 2 . 3]" 1 914 1 81 SER HB3 1 82 LEU H 5.000 . 5.000 3.746 2.371 4.422 . 0 0 "[ . 1 . 2 . 3]" 1 915 1 81 SER H 1 82 LEU H 4.000 . 4.000 2.611 2.344 2.762 . 0 0 "[ . 1 . 2 . 3]" 1 916 1 81 SER H 1 82 LEU MD1 5.000 . 5.500 4.589 3.162 5.604 0.104 5 0 "[ . 1 . 2 . 3]" 1 917 1 81 SER H 1 82 LEU MD2 5.000 . 5.500 4.755 3.220 5.519 0.019 7 0 "[ . 1 . 2 . 3]" 1 918 1 81 SER H 1 83 GLN H 5.000 . 5.000 4.265 3.907 4.505 . 0 0 "[ . 1 . 2 . 3]" 1 919 1 82 LEU HA 1 82 LEU MD1 4.000 . 4.500 3.401 2.078 3.896 . 0 0 "[ . 1 . 2 . 3]" 1 920 1 82 LEU HA 1 82 LEU MD2 4.000 . 4.500 2.481 2.137 3.757 . 0 0 "[ . 1 . 2 . 3]" 1 921 1 82 LEU HA 1 83 GLN H 4.000 . 4.000 3.460 3.149 3.571 . 0 0 "[ . 1 . 2 . 3]" 1 922 1 82 LEU HA 1 84 LEU QD 5.000 . 5.500 4.753 3.689 5.527 0.027 1 0 "[ . 1 . 2 . 3]" 1 923 1 82 LEU HB3 1 83 GLN H 5.000 . 5.000 3.832 2.951 4.408 . 0 0 "[ . 1 . 2 . 3]" 1 924 1 82 LEU HB2 1 83 GLN H 5.000 . 5.000 2.914 2.193 3.808 . 0 0 "[ . 1 . 2 . 3]" 1 925 1 82 LEU HB3 1 84 LEU MD2 5.000 . 5.500 3.404 2.109 4.521 . 0 0 "[ . 1 . 2 . 3]" 1 926 1 82 LEU HB2 1 84 LEU MD2 5.000 . 5.500 3.819 2.253 5.163 . 0 0 "[ . 1 . 2 . 3]" 1 927 1 82 LEU H 1 82 LEU MD1 5.000 . 5.500 3.333 2.290 3.758 . 0 0 "[ . 1 . 2 . 3]" 1 928 1 82 LEU H 1 82 LEU MD2 5.000 . 5.500 3.375 1.754 4.070 0.046 10 0 "[ . 1 . 2 . 3]" 1 929 1 82 LEU MD1 1 83 GLN H 5.000 . 5.500 4.541 3.926 5.175 . 0 0 "[ . 1 . 2 . 3]" 1 930 1 82 LEU MD2 1 83 GLN H 5.000 . 5.500 4.567 3.583 4.977 . 0 0 "[ . 1 . 2 . 3]" 1 931 1 82 LEU MD1 1 84 LEU MD1 5.000 . 6.000 3.468 2.276 5.460 . 0 0 "[ . 1 . 2 . 3]" 1 932 1 82 LEU MD1 1 84 LEU MD2 5.000 . 6.000 3.795 2.536 5.328 . 0 0 "[ . 1 . 2 . 3]" 1 933 1 82 LEU MD2 1 84 LEU MD1 5.000 . 6.000 4.451 2.513 5.846 . 0 0 "[ . 1 . 2 . 3]" 1 934 1 82 LEU MD2 1 84 LEU MD2 5.000 . 6.000 4.347 2.701 5.537 . 0 0 "[ . 1 . 2 . 3]" 1 935 1 82 LEU MD1 1 84 LEU HG 5.000 . 5.500 3.809 3.127 5.115 . 0 0 "[ . 1 . 2 . 3]" 1 936 1 82 LEU MD2 1 84 LEU HG 5.000 . 5.500 4.598 3.023 5.561 0.061 13 0 "[ . 1 . 2 . 3]" 1 937 1 82 LEU MD1 1 84 LEU H 5.000 . 5.500 4.782 4.282 5.512 0.012 5 0 "[ . 1 . 2 . 3]" 1 938 1 82 LEU MD2 1 84 LEU H 5.000 . 5.500 5.266 4.347 5.525 0.025 2 0 "[ . 1 . 2 . 3]" 1 939 1 82 LEU QD 1 92 VAL QG 4.000 . 5.000 4.175 2.850 5.095 0.095 24 0 "[ . 1 . 2 . 3]" 1 940 1 82 LEU H 1 82 LEU HG 5.000 . 5.000 2.784 1.805 4.517 . 0 0 "[ . 1 . 2 . 3]" 1 941 1 82 LEU HG 1 83 GLN H 5.000 . 5.000 4.417 3.630 5.077 0.077 15 0 "[ . 1 . 2 . 3]" 1 942 1 82 LEU H 1 83 GLN H 4.000 . 4.000 2.323 2.075 2.778 . 0 0 "[ . 1 . 2 . 3]" 1 943 1 82 LEU H 1 84 LEU MD1 6.000 . 6.500 5.067 3.608 6.539 0.039 13 0 "[ . 1 . 2 . 3]" 1 944 1 82 LEU H 1 84 LEU H 6.000 . 6.000 4.338 3.518 5.247 . 0 0 "[ . 1 . 2 . 3]" 1 945 1 83 GLN H 1 83 GLN HA 3.000 . 3.000 2.304 2.292 2.320 . 0 0 "[ . 1 . 2 . 3]" 1 946 1 83 GLN HA 1 84 LEU H 4.000 . 4.000 2.763 2.656 3.143 . 0 0 "[ . 1 . 2 . 3]" 1 947 1 83 GLN H 1 83 GLN HB3 4.000 . 4.000 3.844 3.442 4.054 0.054 13 0 "[ . 1 . 2 . 3]" 1 948 1 83 GLN H 1 83 GLN HB2 4.000 . 4.000 3.248 2.879 3.745 . 0 0 "[ . 1 . 2 . 3]" 1 949 1 83 GLN QB 1 84 LEU H 5.000 . 5.000 3.900 3.571 3.999 . 0 0 "[ . 1 . 2 . 3]" 1 950 1 83 GLN H 1 83 GLN QG 4.000 . 4.000 3.535 2.287 4.134 0.134 1 0 "[ . 1 . 2 . 3]" 1 951 1 83 GLN H 1 84 LEU MD1 6.000 . 6.500 4.810 2.962 6.332 . 0 0 "[ . 1 . 2 . 3]" 1 952 1 83 GLN H 1 84 LEU MD2 6.000 . 6.500 5.289 3.788 6.230 . 0 0 "[ . 1 . 2 . 3]" 1 953 1 83 GLN H 1 84 LEU H 4.000 . 4.000 2.738 2.424 3.044 . 0 0 "[ . 1 . 2 . 3]" 1 954 1 84 LEU HA 1 85 ASP H 4.000 . 4.000 2.244 2.141 2.330 . 0 0 "[ . 1 . 2 . 3]" 1 955 1 84 LEU H 1 84 LEU MD1 4.000 . 4.500 3.234 1.839 4.054 . 0 0 "[ . 1 . 2 . 3]" 1 956 1 84 LEU H 1 84 LEU MD2 4.000 . 4.500 3.562 2.265 4.037 . 0 0 "[ . 1 . 2 . 3]" 1 957 1 84 LEU QD 1 85 ASP H 5.000 . 5.500 3.082 2.045 3.955 . 0 0 "[ . 1 . 2 . 3]" 1 958 1 84 LEU MD1 1 90 TYR QB 5.000 . 5.500 3.668 2.365 4.789 . 0 0 "[ . 1 . 2 . 3]" 1 959 1 84 LEU MD2 1 90 TYR QB 5.000 . 5.500 3.328 2.614 4.565 . 0 0 "[ . 1 . 2 . 3]" 1 960 1 84 LEU MD1 1 90 TYR QD 5.000 . 6.000 4.140 2.303 5.289 . 0 0 "[ . 1 . 2 . 3]" 1 961 1 84 LEU MD2 1 90 TYR QD 5.000 . 6.000 3.152 2.527 3.942 . 0 0 "[ . 1 . 2 . 3]" 1 962 1 84 LEU MD1 1 90 TYR QE 5.000 . 6.000 4.817 2.772 5.903 . 0 0 "[ . 1 . 2 . 3]" 1 963 1 84 LEU MD2 1 90 TYR QE 5.000 . 6.000 3.125 2.351 4.014 . 0 0 "[ . 1 . 2 . 3]" 1 964 1 84 LEU MD1 1 92 VAL MG1 6.000 . 7.000 4.959 3.574 6.303 . 0 0 "[ . 1 . 2 . 3]" 1 965 1 84 LEU MD1 1 92 VAL MG2 6.000 . 7.000 3.626 2.610 4.497 . 0 0 "[ . 1 . 2 . 3]" 1 966 1 84 LEU MD2 1 92 VAL MG1 6.000 . 7.000 5.861 3.656 6.979 . 0 0 "[ . 1 . 2 . 3]" 1 967 1 84 LEU MD2 1 92 VAL MG2 6.000 . 7.000 4.380 3.530 5.261 . 0 0 "[ . 1 . 2 . 3]" 1 968 1 84 LEU QD 1 119 HIS HD2 5.000 . 5.500 5.304 4.451 5.514 0.014 16 0 "[ . 1 . 2 . 3]" 1 969 1 84 LEU QD 1 119 HIS HE1 6.000 . 6.500 3.475 2.086 6.048 . 0 0 "[ . 1 . 2 . 3]" 1 970 1 84 LEU QD 1 120 VAL HA 5.000 . 5.500 5.353 4.967 5.518 0.018 9 0 "[ . 1 . 2 . 3]" 1 971 1 84 LEU QD 1 120 VAL MG1 6.000 . 7.000 3.535 2.445 4.543 . 0 0 "[ . 1 . 2 . 3]" 1 972 1 84 LEU QD 1 120 VAL MG2 6.000 . 7.000 3.432 2.566 5.221 . 0 0 "[ . 1 . 2 . 3]" 1 973 1 84 LEU H 1 84 LEU HG 5.000 . 5.000 2.383 1.813 4.102 . 0 0 "[ . 1 . 2 . 3]" 1 974 1 84 LEU H 1 85 ASP H 6.000 . 6.000 4.574 4.294 4.656 . 0 0 "[ . 1 . 2 . 3]" 1 975 1 85 ASP QB 1 88 GLN QE 5.000 . 5.000 4.589 1.929 5.040 0.040 13 0 "[ . 1 . 2 . 3]" 1 976 1 85 ASP H 1 90 TYR QD 5.000 . 5.500 4.856 3.582 5.507 0.007 21 0 "[ . 1 . 2 . 3]" 1 977 1 85 ASP H 1 90 TYR QE 4.000 . 4.500 3.708 2.566 4.295 . 0 0 "[ . 1 . 2 . 3]" 1 978 1 86 PRO HA 1 87 ALA H 5.000 . 5.000 3.378 3.277 3.496 . 0 0 "[ . 1 . 2 . 3]" 1 979 1 86 PRO QB 1 87 ALA H 5.000 . 5.000 3.460 3.022 3.758 . 0 0 "[ . 1 . 2 . 3]" 1 980 1 86 PRO QD 1 87 ALA MB 5.000 . 5.500 4.148 3.699 4.429 . 0 0 "[ . 1 . 2 . 3]" 1 981 1 86 PRO HD3 1 87 ALA H 5.000 . 5.000 4.002 3.773 4.148 . 0 0 "[ . 1 . 2 . 3]" 1 982 1 86 PRO HD2 1 87 ALA H 5.000 . 5.000 2.981 2.529 3.296 . 0 0 "[ . 1 . 2 . 3]" 1 983 1 87 ALA HA 1 88 GLN H 5.000 . 5.000 3.514 3.416 3.571 . 0 0 "[ . 1 . 2 . 3]" 1 984 1 87 ALA H 1 87 ALA MB 3.000 . 3.500 2.185 2.027 2.265 . 0 0 "[ . 1 . 2 . 3]" 1 985 1 87 ALA MB 1 88 GLN HE21 5.000 . 5.500 2.695 1.764 4.960 0.036 15 0 "[ . 1 . 2 . 3]" 1 986 1 87 ALA MB 1 88 GLN HE22 5.000 . 5.500 2.608 1.789 4.461 0.011 26 0 "[ . 1 . 2 . 3]" 1 987 1 87 ALA MB 1 88 GLN H 4.000 . 4.500 2.232 1.783 3.061 0.017 5 0 "[ . 1 . 2 . 3]" 1 988 1 87 ALA H 1 88 GLN QE 5.000 . 5.000 4.450 3.520 5.014 0.014 18 0 "[ . 1 . 2 . 3]" 1 989 1 87 ALA H 1 88 GLN H 4.000 . 4.000 3.177 2.632 3.636 . 0 0 "[ . 1 . 2 . 3]" 1 990 1 88 GLN HA 1 89 ILE MD 5.000 . 5.500 3.856 2.619 5.145 . 0 0 "[ . 1 . 2 . 3]" 1 991 1 88 GLN HA 1 89 ILE H 4.000 . 4.000 2.584 2.323 2.747 . 0 0 "[ . 1 . 2 . 3]" 1 992 1 88 GLN HB3 1 88 GLN HE22 5.000 . 5.000 4.615 3.342 4.977 . 0 0 "[ . 1 . 2 . 3]" 1 993 1 88 GLN HB2 1 88 GLN HE22 5.000 . 5.000 3.738 3.273 5.085 0.085 15 0 "[ . 1 . 2 . 3]" 1 994 1 88 GLN HB3 1 89 ILE H 5.000 . 5.000 2.503 1.883 3.593 . 0 0 "[ . 1 . 2 . 3]" 1 995 1 88 GLN HB2 1 89 ILE H 5.000 . 5.000 3.184 2.041 4.112 . 0 0 "[ . 1 . 2 . 3]" 1 996 1 88 GLN QB 1 90 TYR QE 5.000 . 5.000 3.514 2.239 5.033 0.033 28 0 "[ . 1 . 2 . 3]" 1 997 1 88 GLN H 1 88 GLN HE21 5.000 . 5.000 2.603 1.785 3.901 0.015 4 0 "[ . 1 . 2 . 3]" 1 998 1 88 GLN H 1 88 GLN HE22 5.000 . 5.000 3.507 2.295 5.017 0.017 25 0 "[ . 1 . 2 . 3]" 1 999 1 88 GLN HE21 1 89 ILE H 6.000 . 6.000 4.621 3.493 5.452 . 0 0 "[ . 1 . 2 . 3]" 1 1000 1 88 GLN HE22 1 89 ILE H 6.000 . 6.000 5.790 5.014 6.082 0.082 25 0 "[ . 1 . 2 . 3]" 1 1001 1 88 GLN H 1 88 GLN HG3 5.000 . 5.000 3.778 2.051 4.708 . 0 0 "[ . 1 . 2 . 3]" 1 1002 1 88 GLN H 1 88 GLN HG2 5.000 . 5.000 3.898 1.803 5.011 0.011 23 0 "[ . 1 . 2 . 3]" 1 1003 1 88 GLN HG3 1 89 ILE H 5.000 . 5.000 3.609 2.104 4.974 . 0 0 "[ . 1 . 2 . 3]" 1 1004 1 88 GLN HG2 1 89 ILE H 5.000 . 5.000 4.174 2.487 4.884 . 0 0 "[ . 1 . 2 . 3]" 1 1005 1 89 ILE HA 1 89 ILE MD 4.000 . 4.500 2.856 2.089 4.115 . 0 0 "[ . 1 . 2 . 3]" 1 1006 1 89 ILE HA 1 89 ILE HG13 4.000 . 4.000 3.425 2.369 3.745 . 0 0 "[ . 1 . 2 . 3]" 1 1007 1 89 ILE HA 1 89 ILE HG12 4.000 . 4.000 3.183 2.588 3.768 . 0 0 "[ . 1 . 2 . 3]" 1 1008 1 89 ILE HA 1 90 TYR H 3.000 . 3.000 2.309 2.230 2.380 . 0 0 "[ . 1 . 2 . 3]" 1 1009 1 89 ILE HA 1 90 TYR QD 5.000 . 5.500 3.451 2.801 4.570 . 0 0 "[ . 1 . 2 . 3]" 1 1010 1 89 ILE H 1 89 ILE HB 4.000 . 4.000 2.724 2.341 3.629 . 0 0 "[ . 1 . 2 . 3]" 1 1011 1 89 ILE H 1 89 ILE MD 4.000 . 4.500 2.926 1.729 3.968 0.071 7 0 "[ . 1 . 2 . 3]" 1 1012 1 89 ILE MD 1 90 TYR H 4.000 . 4.500 4.077 3.161 4.714 0.214 2 0 "[ . 1 . 2 . 3]" 1 1013 1 89 ILE H 1 89 ILE HG13 4.000 . 4.000 3.080 1.816 3.833 . 0 0 "[ . 1 . 2 . 3]" 1 1014 1 89 ILE H 1 89 ILE HG12 4.000 . 4.000 2.702 2.021 3.964 . 0 0 "[ . 1 . 2 . 3]" 1 1015 1 89 ILE HG13 1 90 TYR H 5.000 . 5.000 4.851 3.312 5.133 0.133 15 0 "[ . 1 . 2 . 3]" 1 1016 1 89 ILE HG12 1 90 TYR H 5.000 . 5.000 4.844 4.174 5.104 0.104 10 0 "[ . 1 . 2 . 3]" 1 1017 1 89 ILE H 1 89 ILE MG 4.000 . 4.500 3.718 1.991 3.890 . 0 0 "[ . 1 . 2 . 3]" 1 1018 1 89 ILE MG 1 90 TYR HA 5.000 . 5.500 3.847 3.358 5.438 . 0 0 "[ . 1 . 2 . 3]" 1 1019 1 89 ILE MG 1 90 TYR H 4.000 . 4.500 1.966 1.783 4.103 0.017 21 0 "[ . 1 . 2 . 3]" 1 1020 1 89 ILE H 1 90 TYR HA 6.000 . 6.000 5.250 4.986 5.323 . 0 0 "[ . 1 . 2 . 3]" 1 1021 1 90 TYR HA 1 91 ARG H 4.000 . 4.000 2.405 2.165 2.575 . 0 0 "[ . 1 . 2 . 3]" 1 1022 1 90 TYR QB 1 91 ARG H 5.000 . 5.000 2.472 2.060 3.131 . 0 0 "[ . 1 . 2 . 3]" 1 1023 1 90 TYR QB 1 92 VAL QG 5.000 . 5.000 3.385 3.028 4.562 . 0 0 "[ . 1 . 2 . 3]" 1 1024 1 90 TYR QB 1 120 VAL QG 5.000 . 5.000 2.266 2.017 2.757 . 0 0 "[ . 1 . 2 . 3]" 1 1025 1 90 TYR H 1 90 TYR QD 5.000 . 5.500 3.310 2.775 4.059 . 0 0 "[ . 1 . 2 . 3]" 1 1026 1 90 TYR QD 1 91 ARG H 5.000 . 5.500 3.172 2.112 4.292 . 0 0 "[ . 1 . 2 . 3]" 1 1027 1 90 TYR QD 1 92 VAL QG 5.000 . 6.000 4.482 3.611 5.933 . 0 0 "[ . 1 . 2 . 3]" 1 1028 1 90 TYR QD 1 120 VAL QG 5.000 . 6.000 3.584 2.861 4.187 . 0 0 "[ . 1 . 2 . 3]" 1 1029 1 90 TYR H 1 120 VAL HA 5.000 . 5.000 2.694 2.445 3.040 . 0 0 "[ . 1 . 2 . 3]" 1 1030 1 90 TYR H 1 120 VAL QG 5.000 . 5.500 3.227 2.425 4.055 . 0 0 "[ . 1 . 2 . 3]" 1 1031 1 90 TYR H 1 121 ARG H 4.000 . 4.000 3.995 3.812 4.043 0.043 4 0 "[ . 1 . 2 . 3]" 1 1032 1 91 ARG HA 1 92 VAL H 4.000 . 4.000 2.166 2.147 2.191 . 0 0 "[ . 1 . 2 . 3]" 1 1033 1 91 ARG HA 1 120 VAL MG2 6.000 . 6.500 4.209 2.225 5.638 . 0 0 "[ . 1 . 2 . 3]" 1 1034 1 91 ARG HA 1 121 ARG QB 5.000 . 5.500 2.570 2.187 3.882 . 0 0 "[ . 1 . 2 . 3]" 1 1035 1 92 VAL HA 1 93 THR H 4.000 . 4.000 2.154 2.140 2.176 . 0 0 "[ . 1 . 2 . 3]" 1 1036 1 92 VAL H 1 92 VAL HB 4.000 . 4.500 2.566 2.246 3.473 . 0 0 "[ . 1 . 2 . 3]" 1 1037 1 92 VAL HB 1 120 VAL QG 5.000 . 5.500 3.414 2.489 5.272 . 0 0 "[ . 1 . 2 . 3]" 1 1038 1 92 VAL HB 1 122 LEU HA 5.000 . 5.000 3.320 2.569 4.933 . 0 0 "[ . 1 . 2 . 3]" 1 1039 1 92 VAL HB 1 122 LEU QD 5.000 . 5.500 2.382 2.053 3.875 . 0 0 "[ . 1 . 2 . 3]" 1 1040 1 92 VAL QG 1 93 THR HA 5.000 . 5.500 3.903 3.551 4.551 . 0 0 "[ . 1 . 2 . 3]" 1 1041 1 92 VAL MG1 1 93 THR H 5.000 . 5.500 2.852 2.276 3.609 . 0 0 "[ . 1 . 2 . 3]" 1 1042 1 92 VAL MG2 1 93 THR H 5.000 . 5.500 4.002 2.536 4.450 . 0 0 "[ . 1 . 2 . 3]" 1 1043 1 92 VAL MG1 1 94 TRP HD1 5.000 . 5.500 2.449 2.083 4.263 . 0 0 "[ . 1 . 2 . 3]" 1 1044 1 92 VAL MG2 1 94 TRP HD1 5.000 . 5.500 4.729 2.769 5.373 . 0 0 "[ . 1 . 2 . 3]" 1 1045 1 92 VAL MG1 1 94 TRP HE1 6.000 . 6.500 2.155 1.791 3.755 0.009 14 0 "[ . 1 . 2 . 3]" 1 1046 1 92 VAL MG2 1 94 TRP HE1 6.000 . 6.500 4.003 2.496 4.303 . 0 0 "[ . 1 . 2 . 3]" 1 1047 1 92 VAL MG1 1 94 TRP HZ2 5.000 . 5.500 4.175 3.867 5.538 0.038 29 0 "[ . 1 . 2 . 3]" 1 1048 1 92 VAL MG2 1 94 TRP HZ2 5.000 . 5.500 5.452 4.219 5.578 0.078 7 0 "[ . 1 . 2 . 3]" 1 1049 1 92 VAL QG 1 120 VAL MG1 5.000 . 6.000 3.056 1.787 4.793 0.013 23 0 "[ . 1 . 2 . 3]" 1 1050 1 92 VAL QG 1 120 VAL MG2 5.000 . 6.000 2.949 2.030 4.051 . 0 0 "[ . 1 . 2 . 3]" 1 1051 1 92 VAL MG1 1 122 LEU HA 5.000 . 5.500 4.000 2.339 5.226 . 0 0 "[ . 1 . 2 . 3]" 1 1052 1 92 VAL MG2 1 122 LEU HA 5.000 . 5.500 4.359 2.309 5.149 . 0 0 "[ . 1 . 2 . 3]" 1 1053 1 92 VAL QG 1 122 LEU MD1 5.000 . 6.000 3.353 2.146 4.172 . 0 0 "[ . 1 . 2 . 3]" 1 1054 1 92 VAL QG 1 122 LEU MD2 5.000 . 6.000 2.306 1.854 2.819 . 0 0 "[ . 1 . 2 . 3]" 1 1055 1 92 VAL QG 1 123 ARG H 5.000 . 5.500 4.114 3.203 4.588 . 0 0 "[ . 1 . 2 . 3]" 1 1056 1 92 VAL H 1 93 THR H 5.000 . 5.000 4.398 4.262 4.522 . 0 0 "[ . 1 . 2 . 3]" 1 1057 1 92 VAL H 1 122 LEU HA 5.000 . 5.000 3.499 2.793 4.005 . 0 0 "[ . 1 . 2 . 3]" 1 1058 1 92 VAL H 1 122 LEU QB 6.000 . 6.000 4.844 2.841 5.407 . 0 0 "[ . 1 . 2 . 3]" 1 1059 1 92 VAL H 1 122 LEU MD2 6.000 . 6.500 3.937 3.381 5.111 . 0 0 "[ . 1 . 2 . 3]" 1 1060 1 93 THR HA 1 94 TRP H 4.000 . 4.000 2.147 2.136 2.168 . 0 0 "[ . 1 . 2 . 3]" 1 1061 1 93 THR HA 1 122 LEU QD 5.000 . 5.500 3.866 2.990 4.962 . 0 0 "[ . 1 . 2 . 3]" 1 1062 1 93 THR HA 1 123 ARG QB 5.000 . 5.000 2.651 2.339 4.090 . 0 0 "[ . 1 . 2 . 3]" 1 1063 1 93 THR HA 1 123 ARG H 4.000 . 4.000 2.936 2.556 3.244 . 0 0 "[ . 1 . 2 . 3]" 1 1064 1 93 THR HA 1 124 ILE H 6.000 . 6.000 5.967 5.530 6.067 0.067 2 0 "[ . 1 . 2 . 3]" 1 1065 1 93 THR HA 1 125 PHE QE 6.000 . 6.500 4.006 3.679 6.261 . 0 0 "[ . 1 . 2 . 3]" 1 1066 1 93 THR H 1 93 THR MG 4.000 . 4.500 3.759 3.616 3.829 . 0 0 "[ . 1 . 2 . 3]" 1 1067 1 93 THR MG 1 94 TRP H 4.000 . 4.500 2.864 2.450 3.152 . 0 0 "[ . 1 . 2 . 3]" 1 1068 1 93 THR MG 1 95 PHE HA 6.000 . 6.500 4.753 4.121 5.279 . 0 0 "[ . 1 . 2 . 3]" 1 1069 1 93 THR MG 1 123 ARG H 5.000 . 5.500 4.242 3.755 4.993 . 0 0 "[ . 1 . 2 . 3]" 1 1070 1 93 THR MG 1 125 PHE QD 4.000 . 5.000 2.687 2.047 3.159 . 0 0 "[ . 1 . 2 . 3]" 1 1071 1 93 THR MG 1 125 PHE QE 4.000 . 5.000 2.119 2.031 2.745 . 0 0 "[ . 1 . 2 . 3]" 1 1072 1 93 THR MG 1 125 PHE H 5.000 . 5.500 5.137 3.894 5.513 0.013 12 0 "[ . 1 . 2 . 3]" 1 1073 1 94 TRP HA 1 95 PHE H 3.000 . 3.000 2.131 2.120 2.151 . 0 0 "[ . 1 . 2 . 3]" 1 1074 1 94 TRP HA 1 96 ILE MG 5.000 . 5.500 5.767 5.708 5.858 0.358 9 0 "[ . 1 . 2 . 3]" 1 1075 1 94 TRP HA 1 124 ILE MG 6.000 . 6.500 5.973 5.494 6.506 0.006 23 0 "[ . 1 . 2 . 3]" 1 1076 1 94 TRP HB3 1 96 ILE MD 5.000 . 5.500 3.190 2.987 3.846 . 0 0 "[ . 1 . 2 . 3]" 1 1077 1 94 TRP HB2 1 96 ILE MD 5.000 . 5.500 4.015 2.898 4.401 . 0 0 "[ . 1 . 2 . 3]" 1 1078 1 94 TRP HD1 1 95 PHE H 5.000 . 5.000 4.416 4.362 4.600 . 0 0 "[ . 1 . 2 . 3]" 1 1079 1 94 TRP HD1 1 122 LEU MD2 5.000 . 5.500 3.590 2.650 4.630 . 0 0 "[ . 1 . 2 . 3]" 1 1080 1 94 TRP HE1 1 122 LEU MD1 5.000 . 5.500 4.156 3.107 5.492 . 0 0 "[ . 1 . 2 . 3]" 1 1081 1 94 TRP HE1 1 122 LEU MD2 4.000 . 4.500 3.205 2.814 3.672 . 0 0 "[ . 1 . 2 . 3]" 1 1082 1 94 TRP HE3 1 96 ILE MD 5.000 . 5.500 2.696 2.509 2.900 . 0 0 "[ . 1 . 2 . 3]" 1 1083 1 94 TRP HH2 1 96 ILE MD 5.000 . 6.000 5.850 5.563 6.109 0.109 23 0 "[ . 1 . 2 . 3]" 1 1084 1 94 TRP HH2 1 124 ILE MD 5.000 . 5.500 5.168 3.929 5.524 0.024 14 0 "[ . 1 . 2 . 3]" 1 1085 1 94 TRP HE3 1 122 LEU MD1 5.000 . 5.500 3.868 2.865 4.998 . 0 0 "[ . 1 . 2 . 3]" 1 1086 1 94 TRP HE3 1 122 LEU MD2 5.000 . 5.500 4.688 3.693 5.473 . 0 0 "[ . 1 . 2 . 3]" 1 1087 1 94 TRP HE3 1 124 ILE MD 5.000 . 5.500 2.903 2.051 3.430 . 0 0 "[ . 1 . 2 . 3]" 1 1088 1 94 TRP HE3 1 124 ILE MG 5.000 . 5.500 3.800 2.699 4.279 . 0 0 "[ . 1 . 2 . 3]" 1 1089 1 94 TRP HE3 1 125 PHE H 5.000 . 5.000 5.367 5.122 5.850 0.850 13 11 "[ * 1 +***** 2 . **-*]" 1 1090 1 94 TRP HZ3 1 96 ILE MD 6.000 . 6.500 3.937 3.645 4.187 . 0 0 "[ . 1 . 2 . 3]" 1 1091 1 94 TRP HZ3 1 122 LEU QD 6.000 . 6.500 4.175 3.493 4.514 . 0 0 "[ . 1 . 2 . 3]" 1 1092 1 94 TRP HZ3 1 124 ILE MD 6.000 . 6.500 3.699 2.827 4.421 . 0 0 "[ . 1 . 2 . 3]" 1 1093 1 94 TRP H 1 122 LEU MD1 5.000 . 5.500 4.071 2.936 5.557 0.057 25 0 "[ . 1 . 2 . 3]" 1 1094 1 94 TRP H 1 123 ARG H 5.000 . 5.000 3.293 2.925 3.826 . 0 0 "[ . 1 . 2 . 3]" 1 1095 1 94 TRP H 1 124 ILE HA 5.000 . 5.000 3.590 3.296 3.880 . 0 0 "[ . 1 . 2 . 3]" 1 1096 1 94 TRP H 1 125 PHE QD 6.000 . 6.500 3.860 3.545 4.629 . 0 0 "[ . 1 . 2 . 3]" 1 1097 1 94 TRP H 1 125 PHE QE 6.000 . 6.500 4.256 4.007 6.539 0.039 23 0 "[ . 1 . 2 . 3]" 1 1098 1 94 TRP H 1 125 PHE H 5.000 . 5.000 4.514 4.012 4.715 . 0 0 "[ . 1 . 2 . 3]" 1 1099 1 94 TRP HZ2 1 122 LEU MD2 5.000 . 5.500 3.709 2.231 4.173 . 0 0 "[ . 1 . 2 . 3]" 1 1100 1 94 TRP HZ3 1 122 LEU MD1 5.000 . 5.500 4.504 3.557 5.391 . 0 0 "[ . 1 . 2 . 3]" 1 1101 1 94 TRP HZ3 1 122 LEU MD2 5.000 . 5.500 5.137 4.255 5.559 0.059 4 0 "[ . 1 . 2 . 3]" 1 1102 1 95 PHE HA 1 96 ILE H 3.000 . 3.000 2.184 2.170 2.204 . 0 0 "[ . 1 . 2 . 3]" 1 1103 1 95 PHE HA 1 124 ILE MG 6.000 . 6.500 5.069 4.537 5.640 . 0 0 "[ . 1 . 2 . 3]" 1 1104 1 95 PHE HA 1 125 PHE QD 5.000 . 5.500 3.354 3.250 3.811 . 0 0 "[ . 1 . 2 . 3]" 1 1105 1 95 PHE HA 1 125 PHE QE 5.000 . 5.500 5.620 5.538 5.773 0.273 23 0 "[ . 1 . 2 . 3]" 1 1106 1 95 PHE HA 1 125 PHE H 5.000 . 5.000 3.294 2.840 3.712 . 0 0 "[ . 1 . 2 . 3]" 1 1107 1 95 PHE HA 1 153 MET ME 5.000 . 5.500 4.194 3.708 5.397 . 0 0 "[ . 1 . 2 . 3]" 1 1108 1 95 PHE HA 1 161 CYS HG 5.000 . 5.500 5.216 4.768 5.506 0.006 23 0 "[ . 1 . 2 . 3]" 1 1109 1 95 PHE QB 1 153 MET ME 5.000 . 5.500 3.107 2.557 4.269 . 0 0 "[ . 1 . 2 . 3]" 1 1110 1 95 PHE QB 1 161 CYS HG 5.000 . 5.500 3.204 2.749 4.129 . 0 0 "[ . 1 . 2 . 3]" 1 1111 1 95 PHE H 1 95 PHE QD 5.000 . 5.500 3.416 2.595 3.720 . 0 0 "[ . 1 . 2 . 3]" 1 1112 1 95 PHE QD 1 96 ILE H 6.000 . 6.500 4.029 3.715 4.444 . 0 0 "[ . 1 . 2 . 3]" 1 1113 1 95 PHE QD 1 125 PHE QD 5.000 . 5.500 3.402 2.908 3.966 . 0 0 "[ . 1 . 2 . 3]" 1 1114 1 95 PHE QD 1 153 MET ME 5.000 . 6.000 2.378 2.080 4.182 . 0 0 "[ . 1 . 2 . 3]" 1 1115 1 95 PHE QE 1 96 ILE H 6.000 . 6.500 5.987 5.636 6.324 . 0 0 "[ . 1 . 2 . 3]" 1 1116 1 95 PHE QE 1 160 HIS HD2 5.000 . 5.500 3.709 2.786 5.529 0.029 7 0 "[ . 1 . 2 . 3]" 1 1117 1 95 PHE QE 1 160 HIS HE1 6.000 . 6.500 3.828 2.333 5.290 . 0 0 "[ . 1 . 2 . 3]" 1 1118 1 95 PHE QE 1 165 PHE QE 4.000 . 5.000 3.664 2.833 4.830 . 0 0 "[ . 1 . 2 . 3]" 1 1119 1 96 ILE HA 1 97 SER H 4.000 . 4.000 2.188 2.146 2.233 . 0 0 "[ . 1 . 2 . 3]" 1 1120 1 96 ILE HB 1 97 SER H 4.000 . 4.000 3.439 3.272 3.696 . 0 0 "[ . 1 . 2 . 3]" 1 1121 1 96 ILE HB 1 98 TRP H 4.000 . 4.000 3.290 3.026 3.619 . 0 0 "[ . 1 . 2 . 3]" 1 1122 1 96 ILE H 1 96 ILE MD 5.000 . 5.500 3.612 3.572 3.654 . 0 0 "[ . 1 . 2 . 3]" 1 1123 1 96 ILE MD 1 97 SER H 5.000 . 5.500 4.997 4.827 5.211 . 0 0 "[ . 1 . 2 . 3]" 1 1124 1 96 ILE MD 1 98 TRP H 5.000 . 5.500 4.820 4.502 5.102 . 0 0 "[ . 1 . 2 . 3]" 1 1125 1 96 ILE MD 1 99 SER H 6.000 . 6.500 5.968 5.705 6.138 . 0 0 "[ . 1 . 2 . 3]" 1 1126 1 96 ILE MD 1 127 ALA H 6.000 . 6.500 5.298 4.988 5.521 . 0 0 "[ . 1 . 2 . 3]" 1 1127 1 96 ILE HG13 1 126 ALA HA 5.000 . 5.000 3.393 3.097 3.517 . 0 0 "[ . 1 . 2 . 3]" 1 1128 1 96 ILE HG12 1 126 ALA HA 5.000 . 5.000 4.975 4.760 5.096 0.096 23 0 "[ . 1 . 2 . 3]" 1 1129 1 96 ILE QG 1 127 ALA H 5.000 . 5.000 4.488 4.187 4.680 . 0 0 "[ . 1 . 2 . 3]" 1 1130 1 96 ILE H 1 96 ILE MG 4.000 . 4.500 3.700 3.665 3.734 . 0 0 "[ . 1 . 2 . 3]" 1 1131 1 96 ILE MG 1 97 SER H 5.000 . 5.500 2.512 2.330 2.816 . 0 0 "[ . 1 . 2 . 3]" 1 1132 1 96 ILE MG 1 98 TRP H 5.000 . 5.500 2.586 2.494 2.767 . 0 0 "[ . 1 . 2 . 3]" 1 1133 1 96 ILE MG 1 126 ALA HA 5.000 . 5.500 4.596 4.365 4.736 . 0 0 "[ . 1 . 2 . 3]" 1 1134 1 96 ILE MG 1 127 ALA H 5.000 . 5.500 5.076 4.871 5.204 . 0 0 "[ . 1 . 2 . 3]" 1 1135 1 96 ILE MG 1 128 ARG H 5.000 . 5.500 5.716 5.638 5.760 0.260 15 0 "[ . 1 . 2 . 3]" 1 1136 1 96 ILE H 1 124 ILE MG 5.000 . 5.500 4.181 3.644 4.768 . 0 0 "[ . 1 . 2 . 3]" 1 1137 1 96 ILE H 1 125 PHE QD 6.000 . 6.500 4.869 4.815 4.930 . 0 0 "[ . 1 . 2 . 3]" 1 1138 1 96 ILE H 1 125 PHE QE 6.000 . 7.000 7.025 6.928 7.086 0.086 21 0 "[ . 1 . 2 . 3]" 1 1139 1 96 ILE H 1 126 ALA HA 5.000 . 5.000 3.657 3.506 3.866 . 0 0 "[ . 1 . 2 . 3]" 1 1140 1 96 ILE H 1 126 ALA MB 5.000 . 5.500 4.969 4.807 5.144 . 0 0 "[ . 1 . 2 . 3]" 1 1141 1 96 ILE H 1 127 ALA H 4.000 . 4.000 4.005 3.829 4.079 0.079 5 0 "[ . 1 . 2 . 3]" 1 1142 1 97 SER H 1 98 TRP H 4.000 . 4.000 2.153 2.068 2.315 . 0 0 "[ . 1 . 2 . 3]" 1 1143 1 98 TRP HA 1 99 SER H 3.000 . 3.000 2.282 2.180 2.610 . 0 0 "[ . 1 . 2 . 3]" 1 1144 1 98 TRP HA 1 128 ARG H 5.000 . 5.000 3.815 3.124 4.004 . 0 0 "[ . 1 . 2 . 3]" 1 1145 1 98 TRP HE3 1 99 SER H 5.000 . 5.000 4.369 3.698 4.777 . 0 0 "[ . 1 . 2 . 3]" 1 1146 1 98 TRP HE3 1 130 TYR HA 5.000 . 5.000 4.961 4.698 5.105 0.105 4 0 "[ . 1 . 2 . 3]" 1 1147 1 98 TRP HE3 1 130 TYR QB 4.000 . 4.000 2.791 2.158 3.327 . 0 0 "[ . 1 . 2 . 3]" 1 1148 1 98 TRP HE3 1 130 TYR QD 5.000 . 5.500 4.719 3.160 5.172 . 0 0 "[ . 1 . 2 . 3]" 1 1149 1 98 TRP HE3 1 131 ASP H 6.000 . 6.500 5.079 3.835 5.545 . 0 0 "[ . 1 . 2 . 3]" 1 1150 1 98 TRP HH2 1 130 TYR QD 5.000 . 5.500 4.343 3.130 5.076 . 0 0 "[ . 1 . 2 . 3]" 1 1151 1 98 TRP HZ2 1 130 TYR QD 5.000 . 5.500 4.961 3.942 5.538 0.038 22 0 "[ . 1 . 2 . 3]" 1 1152 1 98 TRP HZ3 1 130 TYR HA 5.000 . 5.000 5.021 4.723 5.151 0.151 24 0 "[ . 1 . 2 . 3]" 1 1153 1 98 TRP HZ3 1 130 TYR QD 6.000 . 6.500 3.978 2.684 4.897 . 0 0 "[ . 1 . 2 . 3]" 1 1154 1 98 TRP HZ3 1 131 ASP H 5.000 . 5.000 4.953 4.619 5.089 0.089 21 0 "[ . 1 . 2 . 3]" 1 1155 1 99 SER H 1 126 ALA MB 4.000 . 4.500 4.497 4.291 4.538 0.038 28 0 "[ . 1 . 2 . 3]" 1 1156 1 99 SER H 1 129 ILE MD 5.000 . 5.500 5.491 4.796 5.577 0.077 21 0 "[ . 1 . 2 . 3]" 1 1157 1 99 SER H 1 129 ILE MG 5.000 . 5.500 3.703 3.179 4.072 . 0 0 "[ . 1 . 2 . 3]" 1 1158 1 99 SER H 1 130 TYR H 4.000 . 4.000 2.303 1.885 3.238 . 0 0 "[ . 1 . 2 . 3]" 1 1159 1 102 PHE H 1 102 PHE QD 5.000 . 5.500 4.166 3.913 4.438 . 0 0 "[ . 1 . 2 . 3]" 1 1160 1 102 PHE QD 1 103 SER H 5.000 . 5.500 2.825 2.427 3.766 . 0 0 "[ . 1 . 2 . 3]" 1 1161 1 102 PHE QD 1 135 LEU MD1 4.000 . 5.000 3.611 2.569 5.031 0.031 4 0 "[ . 1 . 2 . 3]" 1 1162 1 102 PHE QD 1 135 LEU MD2 4.000 . 5.000 3.560 2.570 4.987 . 0 0 "[ . 1 . 2 . 3]" 1 1163 1 102 PHE QD 1 139 ALA MB 5.000 . 6.000 5.660 5.116 6.041 0.041 28 0 "[ . 1 . 2 . 3]" 1 1164 1 102 PHE QD 1 142 MET ME 4.000 . 5.000 4.650 4.475 4.887 . 0 0 "[ . 1 . 2 . 3]" 1 1165 1 102 PHE QE 1 103 SER H 6.000 . 6.500 4.632 4.217 5.075 . 0 0 "[ . 1 . 2 . 3]" 1 1166 1 102 PHE QE 1 135 LEU MD1 4.000 . 5.000 3.390 2.436 4.892 . 0 0 "[ . 1 . 2 . 3]" 1 1167 1 102 PHE QE 1 135 LEU MD2 4.000 . 5.000 3.444 2.293 4.791 . 0 0 "[ . 1 . 2 . 3]" 1 1168 1 102 PHE QE 1 142 MET ME 4.000 . 5.000 5.053 5.014 5.128 0.128 4 0 "[ . 1 . 2 . 3]" 1 1169 1 102 PHE H 1 103 SER H 4.000 . 4.000 4.075 3.106 4.324 0.324 24 0 "[ . 1 . 2 . 3]" 1 1170 1 102 PHE H 1 104 TRP H 5.000 . 5.000 5.130 5.040 5.230 0.230 26 0 "[ . 1 . 2 . 3]" 1 1171 1 103 SER HA 1 104 TRP H 5.000 . 5.000 3.497 3.466 3.546 . 0 0 "[ . 1 . 2 . 3]" 1 1172 1 103 SER QB 1 104 TRP H 5.000 . 5.000 3.220 2.598 3.617 . 0 0 "[ . 1 . 2 . 3]" 1 1173 1 103 SER H 1 104 TRP H 5.000 . 5.000 2.904 2.740 2.992 . 0 0 "[ . 1 . 2 . 3]" 1 1174 1 103 SER H 1 135 LEU MD1 5.000 . 5.500 3.822 1.795 5.126 0.005 26 0 "[ . 1 . 2 . 3]" 1 1175 1 103 SER H 1 135 LEU MD2 5.000 . 5.500 3.158 1.798 4.837 0.002 6 0 "[ . 1 . 2 . 3]" 1 1176 1 103 SER QB 1 107 ALA MB 5.000 . 5.000 3.033 2.311 3.747 . 0 0 "[ . 1 . 2 . 3]" 1 1177 1 104 TRP QB 1 105 GLY H 5.000 . 5.000 2.972 2.795 3.096 . 0 0 "[ . 1 . 2 . 3]" 1 1178 1 104 TRP H 1 104 TRP HD1 5.000 . 5.000 4.855 4.502 4.972 . 0 0 "[ . 1 . 2 . 3]" 1 1179 1 104 TRP HD1 1 108 GLY H 5.000 . 5.000 4.585 4.222 5.032 0.032 19 0 "[ . 1 . 2 . 3]" 1 1180 1 104 TRP HE1 1 108 GLY HA2 5.000 . 5.000 5.065 5.017 5.123 0.123 24 0 "[ . 1 . 2 . 3]" 1 1181 1 104 TRP H 1 105 GLY H 4.000 . 4.000 2.385 2.349 2.635 . 0 0 "[ . 1 . 2 . 3]" 1 1182 1 104 TRP H 1 107 ALA MB 5.000 . 5.500 4.589 4.369 4.750 . 0 0 "[ . 1 . 2 . 3]" 1 1183 1 104 TRP H 1 142 MET ME 4.000 . 4.500 3.559 3.276 4.029 . 0 0 "[ . 1 . 2 . 3]" 1 1184 1 105 GLY HA3 1 106 CYS H 5.000 . 5.000 2.550 2.524 2.591 . 0 0 "[ . 1 . 2 . 3]" 1 1185 1 105 GLY HA2 1 106 CYS H 5.000 . 5.000 3.575 3.563 3.593 . 0 0 "[ . 1 . 2 . 3]" 1 1186 1 105 GLY H 1 106 CYS H 4.000 . 4.000 2.688 2.571 2.875 . 0 0 "[ . 1 . 2 . 3]" 1 1187 1 105 GLY H 1 107 ALA H 5.000 . 5.000 4.369 3.823 4.658 . 0 0 "[ . 1 . 2 . 3]" 1 1188 1 106 CYS H 1 106 CYS HA 3.000 . 3.000 2.875 2.846 2.890 . 0 0 "[ . 1 . 2 . 3]" 1 1189 1 106 CYS HA 1 107 ALA H 5.000 . 5.000 3.574 3.568 3.586 . 0 0 "[ . 1 . 2 . 3]" 1 1190 1 106 CYS HB3 1 107 ALA H 5.000 . 5.000 3.042 2.281 3.875 . 0 0 "[ . 1 . 2 . 3]" 1 1191 1 106 CYS HB2 1 107 ALA H 5.000 . 5.000 2.409 2.039 2.787 . 0 0 "[ . 1 . 2 . 3]" 1 1192 1 106 CYS H 1 107 ALA H 4.000 . 4.000 2.835 2.565 2.941 . 0 0 "[ . 1 . 2 . 3]" 1 1193 1 106 CYS H 1 108 GLY H 6.000 . 6.000 3.747 3.412 4.369 . 0 0 "[ . 1 . 2 . 3]" 1 1194 1 107 ALA H 1 107 ALA HA 3.000 . 3.000 2.789 2.735 2.870 . 0 0 "[ . 1 . 2 . 3]" 1 1195 1 107 ALA HA 1 108 GLY H 5.000 . 5.000 3.517 3.436 3.582 . 0 0 "[ . 1 . 2 . 3]" 1 1196 1 107 ALA HA 1 110 VAL HB 4.000 . 4.000 2.518 2.338 3.091 . 0 0 "[ . 1 . 2 . 3]" 1 1197 1 107 ALA HA 1 110 VAL QG 6.000 . 6.500 2.852 2.263 3.379 . 0 0 "[ . 1 . 2 . 3]" 1 1198 1 107 ALA HA 1 110 VAL H 5.000 . 5.000 3.541 3.180 3.881 . 0 0 "[ . 1 . 2 . 3]" 1 1199 1 107 ALA HA 1 139 ALA MB 5.000 . 5.500 5.270 4.854 5.557 0.057 26 0 "[ . 1 . 2 . 3]" 1 1200 1 107 ALA MB 1 108 GLY H 4.000 . 4.000 2.734 2.272 2.993 . 0 0 "[ . 1 . 2 . 3]" 1 1201 1 107 ALA MB 1 110 VAL HB 5.000 . 5.500 3.930 3.651 4.247 . 0 0 "[ . 1 . 2 . 3]" 1 1202 1 107 ALA MB 1 110 VAL H 5.000 . 5.500 4.620 4.321 5.058 . 0 0 "[ . 1 . 2 . 3]" 1 1203 1 107 ALA MB 1 139 ALA HA 5.000 . 5.000 3.336 2.702 4.015 . 0 0 "[ . 1 . 2 . 3]" 1 1204 1 107 ALA MB 1 143 LEU QD 5.000 . 5.000 2.275 1.953 2.761 . 0 0 "[ . 1 . 2 . 3]" 1 1205 1 107 ALA H 1 108 GLY H 4.000 . 4.000 2.768 2.486 2.986 . 0 0 "[ . 1 . 2 . 3]" 1 1206 1 108 GLY HA3 1 109 GLU H 5.000 . 5.000 2.622 2.549 2.799 . 0 0 "[ . 1 . 2 . 3]" 1 1207 1 108 GLY HA2 1 109 GLU H 5.000 . 5.000 3.582 3.561 3.595 . 0 0 "[ . 1 . 2 . 3]" 1 1208 1 108 GLY HA3 1 112 ALA H 5.000 . 5.000 5.002 4.620 5.133 0.133 2 0 "[ . 1 . 2 . 3]" 1 1209 1 108 GLY HA2 1 112 ALA H 5.000 . 5.000 4.033 3.609 4.260 . 0 0 "[ . 1 . 2 . 3]" 1 1210 1 108 GLY HA3 1 142 MET ME 4.000 . 4.500 4.059 2.985 4.521 0.021 2 0 "[ . 1 . 2 . 3]" 1 1211 1 108 GLY HA2 1 142 MET ME 4.000 . 4.500 3.664 2.345 4.177 . 0 0 "[ . 1 . 2 . 3]" 1 1212 1 108 GLY H 1 109 GLU H 4.000 . 4.000 2.866 2.677 3.084 . 0 0 "[ . 1 . 2 . 3]" 1 1213 1 108 GLY H 1 110 VAL H 5.000 . 5.000 3.965 3.615 4.454 . 0 0 "[ . 1 . 2 . 3]" 1 1214 1 109 GLU H 1 109 GLU HA 3.000 . 3.000 2.788 2.747 2.861 . 0 0 "[ . 1 . 2 . 3]" 1 1215 1 109 GLU HA 1 110 VAL H 5.000 . 5.000 3.518 3.442 3.575 . 0 0 "[ . 1 . 2 . 3]" 1 1216 1 109 GLU HA 1 112 ALA H 5.000 . 5.000 3.928 3.651 4.158 . 0 0 "[ . 1 . 2 . 3]" 1 1217 1 109 GLU QB 1 110 VAL H 5.000 . 5.000 2.780 2.370 3.545 . 0 0 "[ . 1 . 2 . 3]" 1 1218 1 109 GLU H 1 109 GLU QG 5.000 . 5.000 2.958 2.040 4.036 . 0 0 "[ . 1 . 2 . 3]" 1 1219 1 109 GLU H 1 110 VAL H 4.000 . 4.000 2.750 2.516 2.998 . 0 0 "[ . 1 . 2 . 3]" 1 1220 1 109 GLU H 1 110 VAL QG 5.000 . 5.500 4.249 3.957 4.582 . 0 0 "[ . 1 . 2 . 3]" 1 1221 1 109 GLU H 1 111 ARG H 5.000 . 5.000 4.449 4.063 4.901 . 0 0 "[ . 1 . 2 . 3]" 1 1222 1 110 VAL H 1 110 VAL HB 4.000 . 4.000 2.401 2.227 2.748 . 0 0 "[ . 1 . 2 . 3]" 1 1223 1 110 VAL HB 1 111 ARG H 4.000 . 4.000 2.432 2.130 2.870 . 0 0 "[ . 1 . 2 . 3]" 1 1224 1 110 VAL HB 1 122 LEU QD 5.000 . 5.000 4.647 4.018 5.021 0.021 30 0 "[ . 1 . 2 . 3]" 1 1225 1 110 VAL HB 1 143 LEU QD 5.000 . 5.500 3.451 2.585 4.060 . 0 0 "[ . 1 . 2 . 3]" 1 1226 1 110 VAL H 1 110 VAL QG 4.000 . 4.500 2.331 1.933 2.608 . 0 0 "[ . 1 . 2 . 3]" 1 1227 1 110 VAL MG1 1 111 ARG H 5.000 . 5.500 3.091 2.481 3.629 . 0 0 "[ . 1 . 2 . 3]" 1 1228 1 110 VAL MG2 1 111 ARG H 5.000 . 5.500 3.838 3.474 4.104 . 0 0 "[ . 1 . 2 . 3]" 1 1229 1 110 VAL QG 1 114 LEU QD 5.000 . 6.000 2.468 1.999 3.693 . 0 0 "[ . 1 . 2 . 3]" 1 1230 1 110 VAL MG1 1 122 LEU MD1 5.000 . 6.000 2.788 1.843 4.325 . 0 0 "[ . 1 . 2 . 3]" 1 1231 1 110 VAL MG1 1 122 LEU MD2 5.000 . 6.000 3.153 2.210 3.978 . 0 0 "[ . 1 . 2 . 3]" 1 1232 1 110 VAL MG2 1 122 LEU MD1 5.000 . 6.000 3.504 2.169 5.252 . 0 0 "[ . 1 . 2 . 3]" 1 1233 1 110 VAL MG2 1 122 LEU MD2 5.000 . 6.000 3.724 2.821 4.453 . 0 0 "[ . 1 . 2 . 3]" 1 1234 1 110 VAL QG 1 124 ILE MD 4.000 . 5.000 3.004 2.236 3.605 . 0 0 "[ . 1 . 2 . 3]" 1 1235 1 110 VAL H 1 111 ARG H 3.000 . 3.000 2.683 2.437 2.941 . 0 0 "[ . 1 . 2 . 3]" 1 1236 1 110 VAL H 1 112 ALA H 5.000 . 5.000 4.308 3.581 4.621 . 0 0 "[ . 1 . 2 . 3]" 1 1237 1 110 VAL H 1 143 LEU QD 5.000 . 5.500 5.101 4.360 5.537 0.037 28 0 "[ . 1 . 2 . 3]" 1 1238 1 111 ARG HA 1 112 ALA H 5.000 . 5.000 3.562 3.494 3.578 . 0 0 "[ . 1 . 2 . 3]" 1 1239 1 111 ARG QB 1 112 ALA H 5.000 . 5.000 2.501 2.112 3.525 . 0 0 "[ . 1 . 2 . 3]" 1 1240 1 111 ARG QB 1 142 MET ME 5.000 . 5.500 4.641 3.425 5.400 . 0 0 "[ . 1 . 2 . 3]" 1 1241 1 111 ARG QB 1 143 LEU HA 5.000 . 5.000 4.592 3.118 5.027 0.027 19 0 "[ . 1 . 2 . 3]" 1 1242 1 111 ARG H 1 111 ARG HD3 5.000 . 5.000 4.824 4.183 5.031 0.031 29 0 "[ . 1 . 2 . 3]" 1 1243 1 111 ARG H 1 111 ARG HD2 5.000 . 5.000 4.921 4.366 5.089 0.089 30 0 "[ . 1 . 2 . 3]" 1 1244 1 111 ARG QD 1 112 ALA H 5.000 . 5.000 4.029 2.544 4.327 . 0 0 "[ . 1 . 2 . 3]" 1 1245 1 111 ARG HD3 1 115 GLN HG3 5.000 . 5.000 4.820 3.359 5.110 0.110 22 0 "[ . 1 . 2 . 3]" 1 1246 1 111 ARG HD2 1 115 GLN HG3 5.000 . 5.000 4.956 3.726 5.192 0.192 24 0 "[ . 1 . 2 . 3]" 1 1247 1 111 ARG HD3 1 142 MET ME 4.000 . 4.500 4.345 3.669 4.589 0.089 24 0 "[ . 1 . 2 . 3]" 1 1248 1 111 ARG HD2 1 142 MET ME 4.000 . 4.500 4.441 3.200 4.614 0.114 2 0 "[ . 1 . 2 . 3]" 1 1249 1 111 ARG HD3 1 146 ALA MB 5.000 . 5.500 4.447 2.917 5.299 . 0 0 "[ . 1 . 2 . 3]" 1 1250 1 111 ARG HD2 1 146 ALA MB 5.000 . 5.500 3.650 2.502 5.511 0.011 2 0 "[ . 1 . 2 . 3]" 1 1251 1 111 ARG H 1 112 ALA MB 6.000 . 6.500 4.453 4.249 4.653 . 0 0 "[ . 1 . 2 . 3]" 1 1252 1 111 ARG H 1 112 ALA H 4.000 . 4.500 2.949 2.708 3.114 . 0 0 "[ . 1 . 2 . 3]" 1 1253 1 111 ARG H 1 143 LEU QD 5.000 . 5.500 4.258 3.030 5.066 . 0 0 "[ . 1 . 2 . 3]" 1 1254 1 112 ALA H 1 112 ALA HA 3.000 . 3.000 2.775 2.712 2.866 . 0 0 "[ . 1 . 2 . 3]" 1 1255 1 112 ALA HA 1 113 PHE H 5.000 . 5.000 3.560 3.540 3.576 . 0 0 "[ . 1 . 2 . 3]" 1 1256 1 112 ALA HA 1 115 GLN HB3 5.000 . 5.000 4.268 3.917 5.031 0.031 22 0 "[ . 1 . 2 . 3]" 1 1257 1 112 ALA HA 1 115 GLN H 5.000 . 5.000 3.554 3.156 3.862 . 0 0 "[ . 1 . 2 . 3]" 1 1258 1 112 ALA HA 1 116 GLU H 5.000 . 5.000 4.416 4.213 4.628 . 0 0 "[ . 1 . 2 . 3]" 1 1259 1 112 ALA H 1 112 ALA MB 3.000 . 3.500 2.102 2.029 2.246 . 0 0 "[ . 1 . 2 . 3]" 1 1260 1 112 ALA MB 1 113 PHE H 4.000 . 4.500 2.466 2.098 2.683 . 0 0 "[ . 1 . 2 . 3]" 1 1261 1 112 ALA MB 1 114 LEU H 6.000 . 6.500 4.443 4.013 4.843 . 0 0 "[ . 1 . 2 . 3]" 1 1262 1 112 ALA MB 1 115 GLN HE21 5.000 . 5.500 4.211 3.520 5.531 0.031 24 0 "[ . 1 . 2 . 3]" 1 1263 1 112 ALA MB 1 115 GLN HE22 5.000 . 5.500 5.243 4.014 6.072 0.572 9 1 "[ . +1 . 2 . 3]" 1 1264 1 112 ALA H 1 113 PHE HB3 6.000 . 6.000 5.290 4.845 5.697 . 0 0 "[ . 1 . 2 . 3]" 1 1265 1 112 ALA H 1 113 PHE H 4.000 . 4.000 2.868 2.597 3.114 . 0 0 "[ . 1 . 2 . 3]" 1 1266 1 113 PHE H 1 113 PHE HA 3.000 . 3.000 2.776 2.738 2.834 . 0 0 "[ . 1 . 2 . 3]" 1 1267 1 113 PHE HA 1 116 GLU H 5.000 . 5.000 3.815 3.553 3.985 . 0 0 "[ . 1 . 2 . 3]" 1 1268 1 113 PHE H 1 113 PHE HB3 4.000 . 4.000 2.837 2.422 3.072 . 0 0 "[ . 1 . 2 . 3]" 1 1269 1 113 PHE H 1 113 PHE HB2 4.000 . 4.000 2.282 2.121 2.661 . 0 0 "[ . 1 . 2 . 3]" 1 1270 1 113 PHE QB 1 114 LEU H 4.000 . 4.000 2.529 2.096 2.936 . 0 0 "[ . 1 . 2 . 3]" 1 1271 1 113 PHE H 1 113 PHE QD 5.000 . 5.500 3.964 3.618 4.178 . 0 0 "[ . 1 . 2 . 3]" 1 1272 1 113 PHE QD 1 114 LEU QD 5.000 . 6.000 3.118 2.302 4.553 . 0 0 "[ . 1 . 2 . 3]" 1 1273 1 113 PHE QD 1 114 LEU H 5.000 . 5.500 3.979 3.446 4.468 . 0 0 "[ . 1 . 2 . 3]" 1 1274 1 113 PHE QD 1 120 VAL QG 6.000 . 7.000 3.292 2.052 4.583 . 0 0 "[ . 1 . 2 . 3]" 1 1275 1 113 PHE QD 1 122 LEU HG 6.000 . 7.000 5.655 5.056 7.009 0.009 29 0 "[ . 1 . 2 . 3]" 1 1276 1 113 PHE QE 1 120 VAL MG1 5.000 . 6.000 3.220 2.337 3.985 . 0 0 "[ . 1 . 2 . 3]" 1 1277 1 113 PHE QE 1 120 VAL MG2 5.000 . 6.000 3.383 2.327 4.726 . 0 0 "[ . 1 . 2 . 3]" 1 1278 1 113 PHE H 1 114 LEU H 4.000 . 4.000 2.819 2.597 3.036 . 0 0 "[ . 1 . 2 . 3]" 1 1279 1 113 PHE HZ 1 120 VAL MG1 5.000 . 5.500 4.893 3.972 5.510 0.010 9 0 "[ . 1 . 2 . 3]" 1 1280 1 113 PHE HZ 1 120 VAL MG2 5.000 . 5.500 5.040 3.732 5.514 0.014 2 0 "[ . 1 . 2 . 3]" 1 1281 1 114 LEU HA 1 114 LEU MD1 4.000 . 4.500 2.841 2.149 3.813 . 0 0 "[ . 1 . 2 . 3]" 1 1282 1 114 LEU HA 1 114 LEU MD2 4.000 . 4.500 3.046 2.103 3.774 . 0 0 "[ . 1 . 2 . 3]" 1 1283 1 114 LEU HA 1 115 GLN H 5.000 . 5.000 3.569 3.507 3.593 . 0 0 "[ . 1 . 2 . 3]" 1 1284 1 114 LEU HA 1 117 ASN H 5.000 . 5.000 2.942 2.711 3.316 . 0 0 "[ . 1 . 2 . 3]" 1 1285 1 114 LEU H 1 114 LEU HB3 4.000 . 4.000 3.394 2.754 3.606 . 0 0 "[ . 1 . 2 . 3]" 1 1286 1 114 LEU H 1 114 LEU HB2 4.000 . 4.000 2.239 2.073 2.698 . 0 0 "[ . 1 . 2 . 3]" 1 1287 1 114 LEU QB 1 115 GLN QG 5.000 . 5.000 3.367 3.181 3.887 . 0 0 "[ . 1 . 2 . 3]" 1 1288 1 114 LEU HB3 1 115 GLN H 5.000 . 5.000 2.906 2.299 3.915 . 0 0 "[ . 1 . 2 . 3]" 1 1289 1 114 LEU HB2 1 115 GLN H 5.000 . 5.000 2.715 2.236 3.603 . 0 0 "[ . 1 . 2 . 3]" 1 1290 1 114 LEU H 1 114 LEU MD1 4.000 . 4.500 2.992 2.019 4.096 . 0 0 "[ . 1 . 2 . 3]" 1 1291 1 114 LEU H 1 114 LEU MD2 4.000 . 4.500 3.767 2.269 4.377 . 0 0 "[ . 1 . 2 . 3]" 1 1292 1 114 LEU QD 1 115 GLN QG 6.000 . 6.500 4.414 3.964 4.906 . 0 0 "[ . 1 . 2 . 3]" 1 1293 1 114 LEU MD1 1 115 GLN H 5.000 . 5.500 4.276 3.967 4.798 . 0 0 "[ . 1 . 2 . 3]" 1 1294 1 114 LEU MD2 1 115 GLN H 5.000 . 5.500 4.376 4.022 4.825 . 0 0 "[ . 1 . 2 . 3]" 1 1295 1 114 LEU MD1 1 122 LEU MD1 4.000 . 5.000 3.834 2.186 4.937 . 0 0 "[ . 1 . 2 . 3]" 1 1296 1 114 LEU MD1 1 122 LEU MD2 5.000 . 6.000 3.662 2.507 5.284 . 0 0 "[ . 1 . 2 . 3]" 1 1297 1 114 LEU MD2 1 122 LEU MD1 4.000 . 5.000 4.214 2.349 5.009 0.009 12 0 "[ . 1 . 2 . 3]" 1 1298 1 114 LEU MD2 1 122 LEU MD2 5.000 . 6.000 4.141 2.596 5.687 . 0 0 "[ . 1 . 2 . 3]" 1 1299 1 114 LEU QD 1 122 LEU H 5.000 . 5.500 3.311 2.351 3.731 . 0 0 "[ . 1 . 2 . 3]" 1 1300 1 114 LEU QD 1 143 LEU QD 5.000 . 6.000 3.906 3.179 4.597 . 0 0 "[ . 1 . 2 . 3]" 1 1301 1 114 LEU QD 1 146 ALA MB 5.000 . 6.000 2.893 2.125 3.703 . 0 0 "[ . 1 . 2 . 3]" 1 1302 1 114 LEU QD 1 147 GLY H 5.000 . 5.500 4.984 4.069 5.508 0.008 18 0 "[ . 1 . 2 . 3]" 1 1303 1 114 LEU QD 1 148 ALA MB 5.000 . 6.000 2.847 2.079 3.533 . 0 0 "[ . 1 . 2 . 3]" 1 1304 1 114 LEU QD 1 148 ALA H 5.000 . 5.500 3.952 2.231 5.300 . 0 0 "[ . 1 . 2 . 3]" 1 1305 1 114 LEU H 1 114 LEU HG 5.000 . 5.000 3.567 1.806 4.501 . 0 0 "[ . 1 . 2 . 3]" 1 1306 1 114 LEU H 1 115 GLN H 4.000 . 4.000 2.722 2.404 2.996 . 0 0 "[ . 1 . 2 . 3]" 1 1307 1 114 LEU H 1 116 GLU H 6.000 . 6.000 3.814 3.567 4.367 . 0 0 "[ . 1 . 2 . 3]" 1 1308 1 114 LEU H 1 146 ALA MB 6.000 . 6.500 5.453 4.376 6.439 . 0 0 "[ . 1 . 2 . 3]" 1 1309 1 115 GLN HA 1 115 GLN HE21 6.000 . 6.000 4.858 4.137 5.287 . 0 0 "[ . 1 . 2 . 3]" 1 1310 1 115 GLN HA 1 115 GLN HE22 6.000 . 6.000 5.576 3.912 5.858 . 0 0 "[ . 1 . 2 . 3]" 1 1311 1 115 GLN HA 1 115 GLN HG3 4.000 . 4.000 3.360 2.695 4.186 0.186 22 0 "[ . 1 . 2 . 3]" 1 1312 1 115 GLN HA 1 115 GLN HG2 4.000 . 4.000 2.477 2.316 4.153 0.153 24 0 "[ . 1 . 2 . 3]" 1 1313 1 115 GLN H 1 115 GLN HA 3.000 . 3.000 2.760 2.743 2.833 . 0 0 "[ . 1 . 2 . 3]" 1 1314 1 115 GLN HA 1 116 GLU H 5.000 . 5.000 3.441 3.380 3.556 . 0 0 "[ . 1 . 2 . 3]" 1 1315 1 115 GLN HA 1 117 ASN H 5.000 . 5.000 4.511 3.867 5.017 0.017 18 0 "[ . 1 . 2 . 3]" 1 1316 1 115 GLN HA 1 118 THR MG 5.000 . 5.500 3.776 2.346 5.301 . 0 0 "[ . 1 . 2 . 3]" 1 1317 1 115 GLN HB3 1 115 GLN HE22 5.000 . 5.000 3.849 3.354 4.946 . 0 0 "[ . 1 . 2 . 3]" 1 1318 1 115 GLN HB2 1 115 GLN HE22 5.000 . 5.000 4.091 3.332 5.079 0.079 9 0 "[ . 1 . 2 . 3]" 1 1319 1 115 GLN H 1 115 GLN HB3 4.000 . 4.000 3.547 2.690 3.604 . 0 0 "[ . 1 . 2 . 3]" 1 1320 1 115 GLN H 1 115 GLN HB2 4.000 . 4.000 2.622 2.169 3.605 . 0 0 "[ . 1 . 2 . 3]" 1 1321 1 115 GLN HB3 1 116 GLU H 5.000 . 5.000 3.993 3.360 4.462 . 0 0 "[ . 1 . 2 . 3]" 1 1322 1 115 GLN HB2 1 116 GLU H 5.000 . 5.000 3.114 2.560 4.103 . 0 0 "[ . 1 . 2 . 3]" 1 1323 1 115 GLN HE22 1 115 GLN HG3 4.000 . 4.500 3.677 3.479 4.119 . 0 0 "[ . 1 . 2 . 3]" 1 1324 1 115 GLN HE22 1 115 GLN HG2 4.000 . 4.500 4.043 3.475 4.121 . 0 0 "[ . 1 . 2 . 3]" 1 1325 1 115 GLN H 1 115 GLN HG3 4.000 . 4.000 2.399 1.899 3.443 . 0 0 "[ . 1 . 2 . 3]" 1 1326 1 115 GLN H 1 115 GLN HG2 4.000 . 4.000 2.811 1.830 3.960 . 0 0 "[ . 1 . 2 . 3]" 1 1327 1 115 GLN HG3 1 116 GLU H 5.000 . 5.000 4.510 2.678 5.119 0.119 9 0 "[ . 1 . 2 . 3]" 1 1328 1 115 GLN HG2 1 116 GLU H 5.000 . 5.000 4.723 2.870 5.068 0.068 7 0 "[ . 1 . 2 . 3]" 1 1329 1 115 GLN H 1 116 GLU H 3.000 . 3.000 2.765 2.590 2.909 . 0 0 "[ . 1 . 2 . 3]" 1 1330 1 115 GLN H 1 117 ASN H 5.000 . 5.000 4.125 3.686 4.565 . 0 0 "[ . 1 . 2 . 3]" 1 1331 1 116 GLU HA 1 117 ASN H 4.000 . 4.000 3.435 3.097 3.570 . 0 0 "[ . 1 . 2 . 3]" 1 1332 1 116 GLU H 1 116 GLU HB3 4.000 . 4.000 2.957 2.435 3.728 . 0 0 "[ . 1 . 2 . 3]" 1 1333 1 116 GLU H 1 116 GLU HB2 4.000 . 4.000 2.812 2.278 3.737 . 0 0 "[ . 1 . 2 . 3]" 1 1334 1 116 GLU HB3 1 117 ASN H 5.000 . 5.000 3.302 2.359 4.645 . 0 0 "[ . 1 . 2 . 3]" 1 1335 1 116 GLU HB2 1 117 ASN H 5.000 . 5.000 3.779 2.663 4.512 . 0 0 "[ . 1 . 2 . 3]" 1 1336 1 116 GLU H 1 116 GLU HG3 5.000 . 5.000 3.983 1.826 4.825 . 0 0 "[ . 1 . 2 . 3]" 1 1337 1 116 GLU H 1 116 GLU HG2 5.000 . 5.000 3.997 1.856 4.818 . 0 0 "[ . 1 . 2 . 3]" 1 1338 1 116 GLU HG3 1 117 ASN H 5.000 . 5.000 4.549 3.048 5.035 0.035 13 0 "[ . 1 . 2 . 3]" 1 1339 1 116 GLU HG2 1 117 ASN H 5.000 . 5.000 4.445 2.968 5.028 0.028 13 0 "[ . 1 . 2 . 3]" 1 1340 1 116 GLU H 1 117 ASN H 3.000 . 3.000 2.138 1.985 2.451 . 0 0 "[ . 1 . 2 . 3]" 1 1341 1 117 ASN HA 1 118 THR MG 5.000 . 5.500 4.598 3.701 5.512 0.012 2 0 "[ . 1 . 2 . 3]" 1 1342 1 117 ASN HA 1 118 THR H 3.000 . 3.000 2.743 2.539 2.949 . 0 0 "[ . 1 . 2 . 3]" 1 1343 1 117 ASN HA 1 119 HIS HD2 4.000 . 4.000 2.866 2.338 4.047 0.047 8 0 "[ . 1 . 2 . 3]" 1 1344 1 117 ASN HA 1 120 VAL QG 6.000 . 6.500 4.198 3.636 4.664 . 0 0 "[ . 1 . 2 . 3]" 1 1345 1 117 ASN HA 1 120 VAL H 5.000 . 5.000 4.893 4.296 5.060 0.060 2 0 "[ . 1 . 2 . 3]" 1 1346 1 117 ASN H 1 117 ASN HB3 4.000 . 4.000 3.707 3.109 3.978 . 0 0 "[ . 1 . 2 . 3]" 1 1347 1 117 ASN H 1 117 ASN HB2 4.000 . 4.000 2.783 2.418 3.215 . 0 0 "[ . 1 . 2 . 3]" 1 1348 1 117 ASN HB3 1 118 THR H 5.000 . 5.000 4.416 4.141 4.528 . 0 0 "[ . 1 . 2 . 3]" 1 1349 1 117 ASN HB2 1 118 THR H 5.000 . 5.000 4.327 4.098 4.651 . 0 0 "[ . 1 . 2 . 3]" 1 1350 1 117 ASN QB 1 119 HIS HD2 5.000 . 5.000 2.641 2.287 3.550 . 0 0 "[ . 1 . 2 . 3]" 1 1351 1 117 ASN QB 1 120 VAL QG 5.000 . 5.500 2.516 2.140 2.983 . 0 0 "[ . 1 . 2 . 3]" 1 1352 1 117 ASN H 1 118 THR MG 5.000 . 5.500 4.372 2.945 5.195 . 0 0 "[ . 1 . 2 . 3]" 1 1353 1 117 ASN H 1 118 THR H 5.000 . 5.000 2.768 2.036 3.129 . 0 0 "[ . 1 . 2 . 3]" 1 1354 1 118 THR HA 1 119 HIS H 4.000 . 4.000 3.334 3.226 3.460 . 0 0 "[ . 1 . 2 . 3]" 1 1355 1 118 THR H 1 118 THR MG 4.000 . 4.500 2.592 1.843 3.496 . 0 0 "[ . 1 . 2 . 3]" 1 1356 1 118 THR MG 1 119 HIS H 5.000 . 5.500 3.580 2.192 4.463 . 0 0 "[ . 1 . 2 . 3]" 1 1357 1 118 THR H 1 119 HIS H 5.000 . 5.000 2.808 2.695 2.873 . 0 0 "[ . 1 . 2 . 3]" 1 1358 1 118 THR H 1 120 VAL H 5.000 . 5.000 4.529 4.265 4.644 . 0 0 "[ . 1 . 2 . 3]" 1 1359 1 119 HIS HA 1 120 VAL H 5.000 . 5.000 3.148 3.053 3.256 . 0 0 "[ . 1 . 2 . 3]" 1 1360 1 119 HIS HD2 1 120 VAL MG2 5.000 . 5.500 3.820 2.133 5.531 0.031 19 0 "[ . 1 . 2 . 3]" 1 1361 1 119 HIS HE1 1 120 VAL MG2 6.000 . 6.500 4.294 2.425 5.761 . 0 0 "[ . 1 . 2 . 3]" 1 1362 1 119 HIS H 1 120 VAL MG2 6.000 . 6.500 4.460 3.551 5.756 . 0 0 "[ . 1 . 2 . 3]" 1 1363 1 119 HIS H 1 120 VAL H 4.000 . 4.000 2.716 2.578 2.874 . 0 0 "[ . 1 . 2 . 3]" 1 1364 1 120 VAL HA 1 121 ARG H 3.000 . 3.000 2.207 2.149 2.316 . 0 0 "[ . 1 . 2 . 3]" 1 1365 1 120 VAL H 1 120 VAL HB 4.000 . 4.000 3.198 2.545 3.922 . 0 0 "[ . 1 . 2 . 3]" 1 1366 1 120 VAL HB 1 121 ARG H 5.000 . 5.000 3.820 2.645 4.528 . 0 0 "[ . 1 . 2 . 3]" 1 1367 1 120 VAL H 1 120 VAL MG1 4.000 . 5.000 2.931 1.905 3.930 . 0 0 "[ . 1 . 2 . 3]" 1 1368 1 120 VAL H 1 120 VAL MG2 4.000 . 5.000 3.044 2.048 3.964 . 0 0 "[ . 1 . 2 . 3]" 1 1369 1 120 VAL MG1 1 121 ARG H 5.000 . 5.500 3.389 2.034 4.205 . 0 0 "[ . 1 . 2 . 3]" 1 1370 1 120 VAL MG2 1 121 ARG H 5.000 . 5.500 3.341 1.898 4.106 . 0 0 "[ . 1 . 2 . 3]" 1 1371 1 120 VAL QG 1 122 LEU H 6.000 . 6.500 4.302 3.633 5.003 . 0 0 "[ . 1 . 2 . 3]" 1 1372 1 120 VAL QG 1 122 LEU QD 5.000 . 6.000 3.167 2.429 3.734 . 0 0 "[ . 1 . 2 . 3]" 1 1373 1 120 VAL H 1 121 ARG H 5.000 . 5.000 4.320 3.837 4.450 . 0 0 "[ . 1 . 2 . 3]" 1 1374 1 121 ARG HA 1 122 LEU H 3.000 . 3.000 2.212 2.138 2.300 . 0 0 "[ . 1 . 2 . 3]" 1 1375 1 121 ARG QB 1 122 LEU H 5.000 . 5.000 3.240 2.804 3.803 . 0 0 "[ . 1 . 2 . 3]" 1 1376 1 121 ARG H 1 121 ARG QD 6.000 . 6.000 3.908 2.806 4.746 . 0 0 "[ . 1 . 2 . 3]" 1 1377 1 121 ARG QD 1 122 LEU H 6.000 . 6.000 4.341 1.858 5.567 . 0 0 "[ . 1 . 2 . 3]" 1 1378 1 121 ARG H 1 121 ARG QG 5.000 . 5.000 3.246 2.000 4.096 . 0 0 "[ . 1 . 2 . 3]" 1 1379 1 121 ARG QG 1 122 LEU H 5.000 . 5.000 3.542 2.051 4.848 . 0 0 "[ . 1 . 2 . 3]" 1 1380 1 121 ARG H 1 122 LEU H 6.000 . 6.000 4.498 4.201 4.585 . 0 0 "[ . 1 . 2 . 3]" 1 1381 1 122 LEU HA 1 123 ARG H 3.000 . 3.000 2.154 2.133 2.264 . 0 0 "[ . 1 . 2 . 3]" 1 1382 1 122 LEU QB 1 123 ARG HA 6.000 . 6.000 4.364 4.135 4.794 . 0 0 "[ . 1 . 2 . 3]" 1 1383 1 122 LEU HB3 1 123 ARG H 5.000 . 5.000 3.994 3.508 4.439 . 0 0 "[ . 1 . 2 . 3]" 1 1384 1 122 LEU HB2 1 123 ARG H 5.000 . 5.000 4.407 2.720 4.601 . 0 0 "[ . 1 . 2 . 3]" 1 1385 1 122 LEU H 1 122 LEU MD1 5.000 . 5.500 4.057 1.788 4.523 0.012 2 0 "[ . 1 . 2 . 3]" 1 1386 1 122 LEU H 1 122 LEU MD2 5.000 . 5.500 4.006 3.625 4.435 . 0 0 "[ . 1 . 2 . 3]" 1 1387 1 122 LEU MD2 1 123 ARG HA 6.000 . 6.500 5.084 3.813 5.722 . 0 0 "[ . 1 . 2 . 3]" 1 1388 1 122 LEU MD1 1 123 ARG H 5.000 . 5.500 2.890 1.824 4.910 . 0 0 "[ . 1 . 2 . 3]" 1 1389 1 122 LEU MD2 1 123 ARG H 5.000 . 5.500 3.261 2.050 4.723 . 0 0 "[ . 1 . 2 . 3]" 1 1390 1 122 LEU MD1 1 124 ILE HA 6.000 . 6.500 4.299 3.529 6.047 . 0 0 "[ . 1 . 2 . 3]" 1 1391 1 122 LEU MD2 1 124 ILE HA 6.000 . 6.500 5.401 3.977 6.499 . 0 0 "[ . 1 . 2 . 3]" 1 1392 1 122 LEU QD 1 124 ILE MD 4.000 . 5.000 2.435 1.784 3.592 0.016 4 0 "[ . 1 . 2 . 3]" 1 1393 1 122 LEU MD1 1 124 ILE QG 5.000 . 5.500 2.900 1.920 4.485 . 0 0 "[ . 1 . 2 . 3]" 1 1394 1 122 LEU MD2 1 124 ILE QG 5.000 . 5.500 4.259 2.832 5.555 0.055 23 0 "[ . 1 . 2 . 3]" 1 1395 1 122 LEU QD 1 124 ILE MG 6.000 . 7.000 4.389 3.641 5.200 . 0 0 "[ . 1 . 2 . 3]" 1 1396 1 122 LEU QD 1 124 ILE H 6.000 . 6.500 3.820 3.333 4.600 . 0 0 "[ . 1 . 2 . 3]" 1 1397 1 122 LEU QD 1 143 LEU QD 5.000 . 6.000 3.790 3.249 4.437 . 0 0 "[ . 1 . 2 . 3]" 1 1398 1 122 LEU QD 1 148 ALA HA 6.000 . 6.500 4.580 2.712 5.284 . 0 0 "[ . 1 . 2 . 3]" 1 1399 1 122 LEU QD 1 148 ALA MB 5.000 . 6.000 3.178 1.895 3.992 . 0 0 "[ . 1 . 2 . 3]" 1 1400 1 122 LEU HG 1 123 ARG H 5.000 . 5.000 4.660 3.773 5.043 0.043 2 0 "[ . 1 . 2 . 3]" 1 1401 1 122 LEU HG 1 124 ILE MD 5.000 . 5.500 4.128 3.530 5.505 0.005 28 0 "[ . 1 . 2 . 3]" 1 1402 1 122 LEU H 1 123 ARG H 6.000 . 6.000 4.252 4.087 4.497 . 0 0 "[ . 1 . 2 . 3]" 1 1403 1 122 LEU H 1 149 GLN H 5.000 . 5.000 4.615 4.056 5.013 0.013 13 0 "[ . 1 . 2 . 3]" 1 1404 1 123 ARG HA 1 124 ILE H 3.000 . 3.000 2.165 2.143 2.350 . 0 0 "[ . 1 . 2 . 3]" 1 1405 1 123 ARG HA 1 149 GLN H 4.000 . 4.000 2.811 2.281 3.274 . 0 0 "[ . 1 . 2 . 3]" 1 1406 1 124 ILE HA 1 125 PHE H 3.000 . 3.000 2.153 2.134 2.193 . 0 0 "[ . 1 . 2 . 3]" 1 1407 1 124 ILE HA 1 150 VAL QG 5.000 . 6.000 4.836 4.542 5.404 . 0 0 "[ . 1 . 2 . 3]" 1 1408 1 124 ILE H 1 124 ILE HB 4.000 . 4.000 2.429 2.314 2.668 . 0 0 "[ . 1 . 2 . 3]" 1 1409 1 124 ILE HB 1 148 ALA MB 5.000 . 6.000 4.261 3.672 4.947 . 0 0 "[ . 1 . 2 . 3]" 1 1410 1 124 ILE HB 1 150 VAL HA 5.000 . 5.000 2.699 2.346 3.249 . 0 0 "[ . 1 . 2 . 3]" 1 1411 1 124 ILE HB 1 150 VAL MG1 5.000 . 5.500 3.007 2.243 5.014 . 0 0 "[ . 1 . 2 . 3]" 1 1412 1 124 ILE HB 1 150 VAL MG2 5.000 . 5.500 3.539 2.301 4.956 . 0 0 "[ . 1 . 2 . 3]" 1 1413 1 124 ILE H 1 124 ILE MD 5.000 . 5.500 3.388 2.347 4.150 . 0 0 "[ . 1 . 2 . 3]" 1 1414 1 124 ILE MD 1 125 PHE H 5.000 . 5.500 4.447 3.439 5.166 . 0 0 "[ . 1 . 2 . 3]" 1 1415 1 124 ILE MD 1 143 LEU QD 4.000 . 5.000 2.506 1.860 3.553 . 0 0 "[ . 1 . 2 . 3]" 1 1416 1 124 ILE MD 1 148 ALA MB 5.000 . 6.000 3.262 2.330 4.858 . 0 0 "[ . 1 . 2 . 3]" 1 1417 1 124 ILE MD 1 150 VAL QG 4.000 . 5.000 3.381 2.489 5.012 0.012 1 0 "[ . 1 . 2 . 3]" 1 1418 1 124 ILE H 1 124 ILE QG 5.000 . 5.000 3.016 2.299 3.848 . 0 0 "[ . 1 . 2 . 3]" 1 1419 1 124 ILE MG 1 125 PHE H 5.000 . 5.500 2.469 2.193 2.751 . 0 0 "[ . 1 . 2 . 3]" 1 1420 1 124 ILE MG 1 150 VAL QG 5.000 . 6.000 2.552 2.056 3.225 . 0 0 "[ . 1 . 2 . 3]" 1 1421 1 124 ILE H 1 148 ALA MB 5.000 . 6.000 4.222 3.718 4.894 . 0 0 "[ . 1 . 2 . 3]" 1 1422 1 124 ILE H 1 149 GLN H 4.000 . 4.000 3.577 3.175 3.981 . 0 0 "[ . 1 . 2 . 3]" 1 1423 1 124 ILE H 1 150 VAL HA 4.000 . 4.000 3.398 2.779 3.700 . 0 0 "[ . 1 . 2 . 3]" 1 1424 1 124 ILE H 1 150 VAL QG 5.000 . 5.500 3.853 3.371 4.690 . 0 0 "[ . 1 . 2 . 3]" 1 1425 1 124 ILE H 1 151 SER H 5.000 . 5.000 4.446 3.780 4.790 . 0 0 "[ . 1 . 2 . 3]" 1 1426 1 125 PHE HA 1 125 PHE QE 5.000 . 5.500 4.383 4.178 4.507 . 0 0 "[ . 1 . 2 . 3]" 1 1427 1 125 PHE HA 1 126 ALA H 3.000 . 3.000 2.179 2.139 2.233 . 0 0 "[ . 1 . 2 . 3]" 1 1428 1 125 PHE HA 1 151 SER H 4.000 . 4.000 3.157 2.711 3.565 . 0 0 "[ . 1 . 2 . 3]" 1 1429 1 125 PHE QB 1 126 ALA H 5.000 . 5.000 3.561 3.364 3.795 . 0 0 "[ . 1 . 2 . 3]" 1 1430 1 125 PHE H 1 125 PHE QD 5.000 . 5.500 3.326 2.991 3.883 . 0 0 "[ . 1 . 2 . 3]" 1 1431 1 125 PHE QD 1 126 ALA H 5.000 . 5.500 4.090 3.515 4.406 . 0 0 "[ . 1 . 2 . 3]" 1 1432 1 125 PHE QD 1 151 SER H 5.000 . 5.500 3.855 3.127 4.933 . 0 0 "[ . 1 . 2 . 3]" 1 1433 1 125 PHE QD 1 154 THR H 5.000 . 5.500 4.589 4.365 4.780 . 0 0 "[ . 1 . 2 . 3]" 1 1434 1 125 PHE H 1 125 PHE QE 6.000 . 6.500 5.075 4.806 5.831 . 0 0 "[ . 1 . 2 . 3]" 1 1435 1 125 PHE QE 1 154 THR H 5.000 . 5.500 5.394 3.559 5.522 0.022 5 0 "[ . 1 . 2 . 3]" 1 1436 1 126 ALA HA 1 127 ALA H 3.000 . 3.000 2.161 2.150 2.215 . 0 0 "[ . 1 . 2 . 3]" 1 1437 1 126 ALA HA 1 128 ARG H 5.000 . 5.000 3.860 3.594 4.204 . 0 0 "[ . 1 . 2 . 3]" 1 1438 1 126 ALA MB 1 127 ALA H 4.000 . 4.500 3.392 3.328 3.536 . 0 0 "[ . 1 . 2 . 3]" 1 1439 1 126 ALA MB 1 128 ARG H 5.000 . 5.500 3.846 3.611 4.243 . 0 0 "[ . 1 . 2 . 3]" 1 1440 1 126 ALA MB 1 152 ILE HA 5.000 . 5.500 3.153 2.634 3.336 . 0 0 "[ . 1 . 2 . 3]" 1 1441 1 126 ALA MB 1 152 ILE MD 6.000 . 7.000 3.118 2.259 5.318 . 0 0 "[ . 1 . 2 . 3]" 1 1442 1 126 ALA MB 1 153 MET H 5.000 . 5.500 4.022 3.774 4.240 . 0 0 "[ . 1 . 2 . 3]" 1 1443 1 126 ALA H 1 150 VAL QG 5.000 . 5.500 4.493 3.665 5.503 0.003 26 0 "[ . 1 . 2 . 3]" 1 1444 1 126 ALA H 1 151 SER H 5.000 . 5.000 3.726 3.447 4.007 . 0 0 "[ . 1 . 2 . 3]" 1 1445 1 126 ALA H 1 152 ILE HA 4.000 . 4.000 3.009 2.588 3.268 . 0 0 "[ . 1 . 2 . 3]" 1 1446 1 126 ALA H 1 153 MET H 5.000 . 5.000 3.615 3.159 4.110 . 0 0 "[ . 1 . 2 . 3]" 1 1447 1 126 ALA H 1 190 LEU QD 6.000 . 6.500 4.886 4.003 5.765 . 0 0 "[ . 1 . 2 . 3]" 1 1448 1 127 ALA HA 1 128 ARG H 5.000 . 5.000 3.561 3.542 3.588 . 0 0 "[ . 1 . 2 . 3]" 1 1449 1 127 ALA HA 1 153 MET H 5.000 . 5.000 2.844 2.486 3.343 . 0 0 "[ . 1 . 2 . 3]" 1 1450 1 127 ALA MB 1 128 ARG H 5.000 . 5.500 2.581 2.264 2.709 . 0 0 "[ . 1 . 2 . 3]" 1 1451 1 127 ALA H 1 128 ARG H 3.000 . 3.000 2.486 2.396 2.683 . 0 0 "[ . 1 . 2 . 3]" 1 1452 1 128 ARG H 1 129 ILE H 5.000 . 5.000 4.406 4.286 4.505 . 0 0 "[ . 1 . 2 . 3]" 1 1453 1 129 ILE HA 1 130 TYR H 4.000 . 4.000 2.162 2.140 2.218 . 0 0 "[ . 1 . 2 . 3]" 1 1454 1 129 ILE H 1 129 ILE HB 4.000 . 4.000 2.826 2.555 3.249 . 0 0 "[ . 1 . 2 . 3]" 1 1455 1 129 ILE HB 1 130 TYR H 5.000 . 5.000 4.068 3.414 4.513 . 0 0 "[ . 1 . 2 . 3]" 1 1456 1 129 ILE HB 1 131 ASP H 6.000 . 6.000 5.961 5.087 6.153 0.153 29 0 "[ . 1 . 2 . 3]" 1 1457 1 129 ILE HB 1 186 LEU QD 4.000 . 4.500 3.848 3.167 4.501 0.001 8 0 "[ . 1 . 2 . 3]" 1 1458 1 129 ILE H 1 129 ILE MD 5.000 . 5.500 3.607 1.789 4.126 0.011 21 0 "[ . 1 . 2 . 3]" 1 1459 1 129 ILE MD 1 130 TYR H 6.000 . 6.500 5.096 4.349 5.380 . 0 0 "[ . 1 . 2 . 3]" 1 1460 1 129 ILE MD 1 152 ILE MD 4.000 . 5.000 2.971 2.033 4.447 . 0 0 "[ . 1 . 2 . 3]" 1 1461 1 129 ILE MD 1 152 ILE HG13 5.000 . 5.500 4.851 3.723 5.529 0.029 22 0 "[ . 1 . 2 . 3]" 1 1462 1 129 ILE MD 1 152 ILE HG12 5.000 . 5.500 4.639 2.909 5.500 . 0 0 "[ . 1 . 2 . 3]" 1 1463 1 129 ILE MD 1 186 LEU HB3 5.000 . 5.500 3.341 2.436 4.008 . 0 0 "[ . 1 . 2 . 3]" 1 1464 1 129 ILE MD 1 186 LEU HB2 5.000 . 5.500 4.811 3.856 5.509 0.009 12 0 "[ . 1 . 2 . 3]" 1 1465 1 129 ILE MD 1 186 LEU MD1 5.000 . 6.000 4.052 1.956 4.984 . 0 0 "[ . 1 . 2 . 3]" 1 1466 1 129 ILE MD 1 186 LEU MD2 5.000 . 6.000 2.901 2.122 4.783 . 0 0 "[ . 1 . 2 . 3]" 1 1467 1 129 ILE MD 1 189 ARG QB 5.000 . 5.500 3.345 2.758 3.833 . 0 0 "[ . 1 . 2 . 3]" 1 1468 1 129 ILE MD 1 189 ARG HE 5.000 . 5.500 4.172 2.301 5.506 0.006 22 0 "[ . 1 . 2 . 3]" 1 1469 1 129 ILE MD 1 189 ARG H 5.000 . 5.500 5.360 4.670 5.569 0.069 22 0 "[ . 1 . 2 . 3]" 1 1470 1 129 ILE MD 1 190 LEU QD 5.000 . 6.000 3.273 2.140 4.862 . 0 0 "[ . 1 . 2 . 3]" 1 1471 1 129 ILE MD 1 190 LEU H 4.000 . 4.500 4.369 3.336 4.527 0.027 20 0 "[ . 1 . 2 . 3]" 1 1472 1 129 ILE MG 1 130 TYR H 5.000 . 5.500 2.769 2.221 3.314 . 0 0 "[ . 1 . 2 . 3]" 1 1473 1 129 ILE MG 1 131 ASP H 5.000 . 5.500 4.499 2.847 5.515 0.015 2 0 "[ . 1 . 2 . 3]" 1 1474 1 129 ILE MG 1 186 LEU QD 6.000 . 7.000 4.390 3.904 5.195 . 0 0 "[ . 1 . 2 . 3]" 1 1475 1 129 ILE MG 1 190 LEU QD 6.000 . 7.000 4.484 3.165 6.000 . 0 0 "[ . 1 . 2 . 3]" 1 1476 1 129 ILE MG 1 193 ILE MD 5.000 . 6.000 5.761 4.857 6.023 0.023 11 0 "[ . 1 . 2 . 3]" 1 1477 1 129 ILE MG 1 193 ILE MG 6.000 . 7.000 6.734 5.842 7.021 0.021 26 0 "[ . 1 . 2 . 3]" 1 1478 1 129 ILE H 1 186 LEU MD1 5.000 . 5.500 4.205 2.645 5.241 . 0 0 "[ . 1 . 2 . 3]" 1 1479 1 129 ILE H 1 186 LEU MD2 5.000 . 5.500 3.506 2.855 5.287 . 0 0 "[ . 1 . 2 . 3]" 1 1480 1 130 TYR HA 1 131 ASP H 3.000 . 3.000 2.238 2.133 3.057 0.057 29 0 "[ . 1 . 2 . 3]" 1 1481 1 130 TYR H 1 130 TYR QD 5.000 . 5.500 4.082 3.356 4.459 . 0 0 "[ . 1 . 2 . 3]" 1 1482 1 130 TYR QD 1 131 ASP H 5.000 . 5.500 3.343 1.792 4.887 0.008 29 0 "[ . 1 . 2 . 3]" 1 1483 1 131 ASP H 1 132 TYR H 5.000 . 5.000 4.161 1.789 4.600 0.011 29 0 "[ . 1 . 2 . 3]" 1 1484 1 132 TYR HA 1 132 TYR QD 4.000 . 4.500 2.848 2.336 3.705 . 0 0 "[ . 1 . 2 . 3]" 1 1485 1 132 TYR QB 1 133 ASP H 5.000 . 5.000 3.059 2.026 3.935 . 0 0 "[ . 1 . 2 . 3]" 1 1486 1 132 TYR H 1 132 TYR QD 5.000 . 5.500 3.313 1.827 4.264 . 0 0 "[ . 1 . 2 . 3]" 1 1487 1 132 TYR QD 1 133 ASP H 5.000 . 5.500 4.416 3.564 4.955 . 0 0 "[ . 1 . 2 . 3]" 1 1488 1 132 TYR H 1 133 ASP H 4.000 . 4.000 2.461 2.020 2.764 . 0 0 "[ . 1 . 2 . 3]" 1 1489 1 134 PRO HA 1 135 LEU H 4.000 . 4.000 3.200 2.429 3.405 . 0 0 "[ . 1 . 2 . 3]" 1 1490 1 134 PRO QB 1 135 LEU H 5.000 . 5.000 3.628 3.265 4.025 . 0 0 "[ . 1 . 2 . 3]" 1 1491 1 135 LEU HA 1 135 LEU QD 4.000 . 4.500 2.284 1.936 3.407 . 0 0 "[ . 1 . 2 . 3]" 1 1492 1 135 LEU HA 1 136 TYR H 5.000 . 5.000 3.384 3.225 3.516 . 0 0 "[ . 1 . 2 . 3]" 1 1493 1 135 LEU H 1 135 LEU MD1 5.000 . 5.500 3.541 2.182 4.247 . 0 0 "[ . 1 . 2 . 3]" 1 1494 1 135 LEU H 1 135 LEU MD2 5.000 . 5.500 3.964 2.523 4.390 . 0 0 "[ . 1 . 2 . 3]" 1 1495 1 135 LEU MD1 1 136 TYR H 5.000 . 5.500 4.888 3.839 5.277 . 0 0 "[ . 1 . 2 . 3]" 1 1496 1 135 LEU MD2 1 136 TYR H 5.000 . 5.500 4.643 3.419 5.316 . 0 0 "[ . 1 . 2 . 3]" 1 1497 1 135 LEU QD 1 139 ALA MB 4.000 . 5.000 4.061 2.711 4.958 . 0 0 "[ . 1 . 2 . 3]" 1 1498 1 135 LEU QD 1 142 MET ME 4.000 . 5.000 4.878 4.389 5.023 0.023 25 0 "[ . 1 . 2 . 3]" 1 1499 1 135 LEU H 1 135 LEU HG 5.000 . 5.000 3.548 2.014 4.443 . 0 0 "[ . 1 . 2 . 3]" 1 1500 1 135 LEU H 1 136 TYR H 4.000 . 4.000 2.675 2.208 2.875 . 0 0 "[ . 1 . 2 . 3]" 1 1501 1 136 TYR QD 1 137 LYS H 5.000 . 5.500 2.625 1.926 3.563 . 0 0 "[ . 1 . 2 . 3]" 1 1502 1 136 TYR QE 1 193 ILE MD 4.000 . 5.000 2.980 2.058 3.903 . 0 0 "[ . 1 . 2 . 3]" 1 1503 1 136 TYR H 1 137 LYS H 4.000 . 4.000 2.812 2.606 2.955 . 0 0 "[ . 1 . 2 . 3]" 1 1504 1 137 LYS H 1 138 GLU H 4.000 . 4.000 2.825 2.558 3.014 . 0 0 "[ . 1 . 2 . 3]" 1 1505 1 137 LYS H 1 139 ALA H 5.000 . 5.000 3.911 3.551 4.439 . 0 0 "[ . 1 . 2 . 3]" 1 1506 1 138 GLU HA 1 139 ALA H 5.000 . 5.000 3.505 3.429 3.571 . 0 0 "[ . 1 . 2 . 3]" 1 1507 1 138 GLU H 1 139 ALA H 4.000 . 4.000 2.740 2.556 3.013 . 0 0 "[ . 1 . 2 . 3]" 1 1508 1 139 ALA MB 1 140 LEU H 5.000 . 5.500 2.473 2.145 2.896 . 0 0 "[ . 1 . 2 . 3]" 1 1509 1 139 ALA H 1 140 LEU H 4.000 . 4.000 2.684 2.443 2.959 . 0 0 "[ . 1 . 2 . 3]" 1 1510 1 139 ALA H 1 141 GLN H 5.000 . 5.000 4.157 3.626 4.665 . 0 0 "[ . 1 . 2 . 3]" 1 1511 1 140 LEU HA 1 140 LEU QD 4.000 . 4.500 2.213 1.932 2.998 . 0 0 "[ . 1 . 2 . 3]" 1 1512 1 140 LEU HB3 1 141 GLN H 5.000 . 5.000 2.962 2.422 3.713 . 0 0 "[ . 1 . 2 . 3]" 1 1513 1 140 LEU H 1 140 LEU MD1 5.000 . 5.500 3.194 1.919 4.250 . 0 0 "[ . 1 . 2 . 3]" 1 1514 1 140 LEU H 1 140 LEU MD2 5.000 . 5.500 3.715 2.034 4.371 . 0 0 "[ . 1 . 2 . 3]" 1 1515 1 140 LEU MD1 1 141 GLN H 5.000 . 6.000 4.351 3.883 5.112 . 0 0 "[ . 1 . 2 . 3]" 1 1516 1 140 LEU MD2 1 141 GLN H 5.000 . 6.000 4.381 3.514 4.908 . 0 0 "[ . 1 . 2 . 3]" 1 1517 1 140 LEU MD2 1 150 VAL QG 5.000 . 6.000 2.867 2.062 4.067 . 0 0 "[ . 1 . 2 . 3]" 1 1518 1 140 LEU QD 1 190 LEU QD 5.000 . 6.000 2.088 1.791 2.483 0.009 18 0 "[ . 1 . 2 . 3]" 1 1519 1 140 LEU QD 1 193 ILE MD 5.000 . 6.000 3.780 2.182 4.925 . 0 0 "[ . 1 . 2 . 3]" 1 1520 1 140 LEU QD 1 193 ILE MG 5.000 . 6.000 2.571 1.913 3.796 . 0 0 "[ . 1 . 2 . 3]" 1 1521 1 140 LEU H 1 140 LEU HG 5.000 . 5.000 3.931 2.365 4.502 . 0 0 "[ . 1 . 2 . 3]" 1 1522 1 140 LEU H 1 141 GLN H 4.000 . 4.000 2.759 2.517 2.999 . 0 0 "[ . 1 . 2 . 3]" 1 1523 1 140 LEU H 1 142 MET H 5.000 . 5.000 4.372 3.798 4.831 . 0 0 "[ . 1 . 2 . 3]" 1 1524 1 140 LEU H 1 193 ILE MG 6.000 . 6.500 5.228 4.414 6.260 . 0 0 "[ . 1 . 2 . 3]" 1 1525 1 141 GLN HA 1 141 GLN HE21 6.000 . 6.000 4.112 3.257 4.909 . 0 0 "[ . 1 . 2 . 3]" 1 1526 1 141 GLN HA 1 141 GLN HE22 6.000 . 6.000 4.388 3.603 5.947 . 0 0 "[ . 1 . 2 . 3]" 1 1527 1 141 GLN HA 1 194 LEU QD 5.000 . 5.500 4.890 4.145 5.494 . 0 0 "[ . 1 . 2 . 3]" 1 1528 1 141 GLN HB3 1 141 GLN HE22 5.000 . 5.000 4.852 4.448 5.065 0.065 4 0 "[ . 1 . 2 . 3]" 1 1529 1 141 GLN H 1 141 GLN QE 6.000 . 6.000 3.196 2.282 4.477 . 0 0 "[ . 1 . 2 . 3]" 1 1530 1 141 GLN QE 1 193 ILE MD 6.000 . 6.500 4.623 2.805 5.840 . 0 0 "[ . 1 . 2 . 3]" 1 1531 1 141 GLN HE21 1 193 ILE HG13 6.000 . 6.000 5.443 4.400 6.014 0.014 9 0 "[ . 1 . 2 . 3]" 1 1532 1 141 GLN HE21 1 193 ILE HG12 6.000 . 6.000 5.134 3.868 6.012 0.012 17 0 "[ . 1 . 2 . 3]" 1 1533 1 141 GLN HE22 1 193 ILE HG13 6.000 . 6.000 5.206 3.733 6.005 0.005 27 0 "[ . 1 . 2 . 3]" 1 1534 1 141 GLN HE22 1 193 ILE HG12 6.000 . 6.000 4.937 2.675 6.009 0.009 26 0 "[ . 1 . 2 . 3]" 1 1535 1 141 GLN HE21 1 193 ILE MG 5.000 . 5.500 3.389 1.965 5.463 . 0 0 "[ . 1 . 2 . 3]" 1 1536 1 141 GLN HE22 1 193 ILE MG 5.000 . 5.500 3.026 1.788 5.473 0.012 17 0 "[ . 1 . 2 . 3]" 1 1537 1 141 GLN HE21 1 194 LEU QD 6.000 . 6.500 4.987 3.514 6.441 . 0 0 "[ . 1 . 2 . 3]" 1 1538 1 141 GLN HE22 1 194 LEU QD 6.000 . 6.500 4.341 2.550 6.485 . 0 0 "[ . 1 . 2 . 3]" 1 1539 1 141 GLN H 1 141 GLN QG 5.000 . 5.000 2.856 1.801 3.970 . 0 0 "[ . 1 . 2 . 3]" 1 1540 1 141 GLN H 1 142 MET H 4.000 . 4.000 2.655 2.380 2.905 . 0 0 "[ . 1 . 2 . 3]" 1 1541 1 141 GLN H 1 143 LEU H 5.000 . 5.000 3.971 3.495 4.551 . 0 0 "[ . 1 . 2 . 3]" 1 1542 1 142 MET H 1 142 MET HA 3.000 . 3.000 2.773 2.730 2.854 . 0 0 "[ . 1 . 2 . 3]" 1 1543 1 142 MET H 1 142 MET ME 5.000 . 5.500 5.024 4.400 5.553 0.053 17 0 "[ . 1 . 2 . 3]" 1 1544 1 142 MET H 1 142 MET QG 5.000 . 5.000 3.537 2.135 4.016 . 0 0 "[ . 1 . 2 . 3]" 1 1545 1 142 MET H 1 143 LEU H 4.000 . 4.000 2.797 2.509 3.042 . 0 0 "[ . 1 . 2 . 3]" 1 1546 1 142 MET H 1 144 ARG H 5.000 . 5.000 4.418 4.126 4.868 . 0 0 "[ . 1 . 2 . 3]" 1 1547 1 143 LEU HA 1 143 LEU MD1 4.000 . 4.500 2.775 2.079 3.809 . 0 0 "[ . 1 . 2 . 3]" 1 1548 1 143 LEU HA 1 143 LEU MD2 4.000 . 4.500 3.019 2.166 3.810 . 0 0 "[ . 1 . 2 . 3]" 1 1549 1 143 LEU HA 1 144 ARG H 5.000 . 5.000 3.559 3.516 3.577 . 0 0 "[ . 1 . 2 . 3]" 1 1550 1 143 LEU HA 1 146 ALA MB 5.000 . 5.500 2.567 2.119 3.269 . 0 0 "[ . 1 . 2 . 3]" 1 1551 1 143 LEU H 1 143 LEU MD1 5.000 . 5.500 3.655 2.714 4.123 . 0 0 "[ . 1 . 2 . 3]" 1 1552 1 143 LEU MD1 1 144 ARG H 6.000 . 6.500 4.373 3.754 4.881 . 0 0 "[ . 1 . 2 . 3]" 1 1553 1 143 LEU MD2 1 144 ARG H 6.000 . 6.500 4.376 3.697 4.791 . 0 0 "[ . 1 . 2 . 3]" 1 1554 1 143 LEU QD 1 146 ALA MB 5.000 . 6.000 2.809 2.031 3.911 . 0 0 "[ . 1 . 2 . 3]" 1 1555 1 143 LEU QD 1 146 ALA H 6.000 . 6.500 4.282 3.517 4.983 . 0 0 "[ . 1 . 2 . 3]" 1 1556 1 143 LEU QD 1 147 GLY H 6.000 . 6.500 4.805 3.968 5.613 . 0 0 "[ . 1 . 2 . 3]" 1 1557 1 143 LEU QD 1 148 ALA H 6.000 . 6.500 3.897 3.199 4.625 . 0 0 "[ . 1 . 2 . 3]" 1 1558 1 143 LEU HG 1 148 ALA MB 4.000 . 4.500 3.270 2.094 4.501 0.001 21 0 "[ . 1 . 2 . 3]" 1 1559 1 143 LEU HG 1 150 VAL MG1 5.000 . 5.500 4.486 2.205 5.512 0.012 18 0 "[ . 1 . 2 . 3]" 1 1560 1 143 LEU HG 1 150 VAL MG2 5.000 . 5.500 4.200 2.560 5.512 0.012 15 0 "[ . 1 . 2 . 3]" 1 1561 1 143 LEU H 1 144 ARG H 4.000 . 4.000 2.637 2.380 3.094 . 0 0 "[ . 1 . 2 . 3]" 1 1562 1 144 ARG H 1 144 ARG HA 3.000 . 3.000 2.760 2.733 2.811 . 0 0 "[ . 1 . 2 . 3]" 1 1563 1 144 ARG HA 1 145 ASP H 5.000 . 5.000 3.521 3.451 3.571 . 0 0 "[ . 1 . 2 . 3]" 1 1564 1 144 ARG HA 1 148 ALA MB 5.000 . 5.500 4.494 3.712 5.089 . 0 0 "[ . 1 . 2 . 3]" 1 1565 1 144 ARG QB 1 145 ASP H 5.000 . 5.000 2.717 2.309 3.554 . 0 0 "[ . 1 . 2 . 3]" 1 1566 1 144 ARG QB 1 150 VAL QG 5.000 . 5.500 3.842 2.697 4.814 . 0 0 "[ . 1 . 2 . 3]" 1 1567 1 144 ARG H 1 144 ARG QG 5.000 . 5.000 3.523 2.008 4.012 . 0 0 "[ . 1 . 2 . 3]" 1 1568 1 144 ARG QG 1 145 ASP H 6.000 . 6.000 4.017 1.967 4.690 . 0 0 "[ . 1 . 2 . 3]" 1 1569 1 144 ARG QG 1 148 ALA H 6.000 . 6.000 5.548 4.418 6.006 0.006 29 0 "[ . 1 . 2 . 3]" 1 1570 1 144 ARG H 1 145 ASP H 3.000 . 3.000 2.816 2.658 2.982 . 0 0 "[ . 1 . 2 . 3]" 1 1571 1 144 ARG H 1 146 ALA H 5.000 . 5.000 4.049 3.832 4.364 . 0 0 "[ . 1 . 2 . 3]" 1 1572 1 144 ARG H 1 150 VAL MG2 5.000 . 5.500 4.055 3.046 5.513 0.013 22 0 "[ . 1 . 2 . 3]" 1 1573 1 145 ASP H 1 145 ASP HA 3.000 . 3.000 2.862 2.776 2.917 . 0 0 "[ . 1 . 2 . 3]" 1 1574 1 145 ASP HA 1 146 ALA H 5.000 . 5.000 3.398 3.241 3.548 . 0 0 "[ . 1 . 2 . 3]" 1 1575 1 145 ASP H 1 145 ASP HB3 4.000 . 4.000 2.918 2.069 3.602 . 0 0 "[ . 1 . 2 . 3]" 1 1576 1 145 ASP H 1 145 ASP HB2 4.000 . 4.000 2.568 2.085 3.533 . 0 0 "[ . 1 . 2 . 3]" 1 1577 1 145 ASP HB3 1 146 ALA H 5.000 . 5.000 3.546 2.760 4.430 . 0 0 "[ . 1 . 2 . 3]" 1 1578 1 145 ASP HB2 1 146 ALA H 5.000 . 5.000 3.810 2.985 4.524 . 0 0 "[ . 1 . 2 . 3]" 1 1579 1 145 ASP H 1 146 ALA H 4.000 . 4.000 2.533 2.312 2.760 . 0 0 "[ . 1 . 2 . 3]" 1 1580 1 145 ASP H 1 147 GLY H 5.000 . 5.000 4.068 3.744 4.380 . 0 0 "[ . 1 . 2 . 3]" 1 1581 1 146 ALA HA 1 147 GLY H 5.000 . 5.000 3.426 3.227 3.465 . 0 0 "[ . 1 . 2 . 3]" 1 1582 1 146 ALA H 1 146 ALA MB 3.000 . 3.500 2.254 2.112 2.368 . 0 0 "[ . 1 . 2 . 3]" 1 1583 1 146 ALA MB 1 147 GLY H 5.000 . 5.500 2.979 2.861 3.372 . 0 0 "[ . 1 . 2 . 3]" 1 1584 1 146 ALA MB 1 148 ALA H 5.000 . 5.500 2.923 2.278 4.602 . 0 0 "[ . 1 . 2 . 3]" 1 1585 1 146 ALA H 1 147 GLY H 3.000 . 3.000 2.305 2.040 2.554 . 0 0 "[ . 1 . 2 . 3]" 1 1586 1 146 ALA H 1 148 ALA H 5.000 . 5.000 3.977 3.295 4.867 . 0 0 "[ . 1 . 2 . 3]" 1 1587 1 147 GLY HA3 1 148 ALA H 4.000 . 4.000 3.266 2.735 3.571 . 0 0 "[ . 1 . 2 . 3]" 1 1588 1 147 GLY HA2 1 148 ALA H 4.000 . 4.000 3.120 2.297 3.563 . 0 0 "[ . 1 . 2 . 3]" 1 1589 1 147 GLY H 1 148 ALA H 4.000 . 4.000 2.572 2.093 3.057 . 0 0 "[ . 1 . 2 . 3]" 1 1590 1 148 ALA HA 1 149 GLN H 3.000 . 3.000 2.389 2.177 2.675 . 0 0 "[ . 1 . 2 . 3]" 1 1591 1 148 ALA H 1 148 ALA MB 3.000 . 3.500 2.262 2.036 2.690 . 0 0 "[ . 1 . 2 . 3]" 1 1592 1 148 ALA MB 1 149 GLN H 4.000 . 4.500 2.554 2.159 3.047 . 0 0 "[ . 1 . 2 . 3]" 1 1593 1 149 GLN HA 1 150 VAL H 3.000 . 3.000 2.172 2.141 2.243 . 0 0 "[ . 1 . 2 . 3]" 1 1594 1 149 GLN H 1 149 GLN HB3 4.000 . 4.000 3.033 2.412 3.698 . 0 0 "[ . 1 . 2 . 3]" 1 1595 1 149 GLN H 1 149 GLN HB2 4.000 . 4.000 2.447 2.135 2.897 . 0 0 "[ . 1 . 2 . 3]" 1 1596 1 149 GLN HB3 1 150 VAL H 5.000 . 5.000 3.750 2.889 4.414 . 0 0 "[ . 1 . 2 . 3]" 1 1597 1 149 GLN HB2 1 150 VAL H 5.000 . 5.000 4.393 3.900 4.608 . 0 0 "[ . 1 . 2 . 3]" 1 1598 1 149 GLN H 1 149 GLN HG3 5.000 . 5.000 4.321 2.801 4.772 . 0 0 "[ . 1 . 2 . 3]" 1 1599 1 149 GLN H 1 149 GLN HG2 5.000 . 5.000 4.418 3.262 4.806 . 0 0 "[ . 1 . 2 . 3]" 1 1600 1 149 GLN HG3 1 150 VAL H 5.000 . 5.000 3.655 2.146 5.003 0.003 12 0 "[ . 1 . 2 . 3]" 1 1601 1 149 GLN HG2 1 150 VAL H 5.000 . 5.000 3.868 2.362 4.772 . 0 0 "[ . 1 . 2 . 3]" 1 1602 1 149 GLN H 1 150 VAL QG 6.000 . 6.500 4.136 3.748 5.192 . 0 0 "[ . 1 . 2 . 3]" 1 1603 1 149 GLN H 1 150 VAL H 5.000 . 5.000 4.446 4.245 4.582 . 0 0 "[ . 1 . 2 . 3]" 1 1604 1 150 VAL HA 1 151 SER H 3.000 . 3.000 2.153 2.144 2.173 . 0 0 "[ . 1 . 2 . 3]" 1 1605 1 150 VAL H 1 150 VAL HB 4.000 . 4.000 3.176 2.719 3.831 . 0 0 "[ . 1 . 2 . 3]" 1 1606 1 150 VAL HB 1 151 SER H 5.000 . 5.000 3.998 3.296 4.443 . 0 0 "[ . 1 . 2 . 3]" 1 1607 1 150 VAL MG1 1 151 SER H 5.000 . 5.500 3.328 2.413 4.108 . 0 0 "[ . 1 . 2 . 3]" 1 1608 1 150 VAL MG2 1 151 SER H 5.000 . 5.500 4.112 2.571 4.437 . 0 0 "[ . 1 . 2 . 3]" 1 1609 1 150 VAL QG 1 190 LEU QD 4.000 . 5.000 3.228 2.383 4.109 . 0 0 "[ . 1 . 2 . 3]" 1 1610 1 150 VAL QG 1 190 LEU HG 5.000 . 5.500 4.907 3.733 5.505 0.005 24 0 "[ . 1 . 2 . 3]" 1 1611 1 150 VAL QG 1 194 LEU QD 4.000 . 5.000 3.623 2.617 4.416 . 0 0 "[ . 1 . 2 . 3]" 1 1612 1 150 VAL H 1 194 LEU QD 5.000 . 5.500 5.198 4.189 5.506 0.006 23 0 "[ . 1 . 2 . 3]" 1 1613 1 151 SER HA 1 152 ILE H 3.000 . 3.000 2.383 2.362 2.398 . 0 0 "[ . 1 . 2 . 3]" 1 1614 1 151 SER HA 1 190 LEU QD 4.000 . 4.500 3.059 2.038 4.250 . 0 0 "[ . 1 . 2 . 3]" 1 1615 1 151 SER HB3 1 152 ILE H 5.000 . 5.000 3.224 2.482 4.079 . 0 0 "[ . 1 . 2 . 3]" 1 1616 1 151 SER HB2 1 152 ILE H 5.000 . 5.000 3.450 2.488 4.066 . 0 0 "[ . 1 . 2 . 3]" 1 1617 1 151 SER H 1 190 LEU QD 5.000 . 5.500 4.480 3.752 5.502 0.002 21 0 "[ . 1 . 2 . 3]" 1 1618 1 152 ILE HA 1 152 ILE MD 4.000 . 4.500 2.763 2.084 3.845 . 0 0 "[ . 1 . 2 . 3]" 1 1619 1 152 ILE HA 1 153 MET H 4.000 . 4.000 2.194 2.153 2.294 . 0 0 "[ . 1 . 2 . 3]" 1 1620 1 152 ILE H 1 152 ILE HB 4.000 . 4.000 2.484 2.226 3.596 . 0 0 "[ . 1 . 2 . 3]" 1 1621 1 152 ILE HB 1 153 MET H 5.000 . 5.000 4.172 3.052 4.372 . 0 0 "[ . 1 . 2 . 3]" 1 1622 1 152 ILE H 1 152 ILE MD 4.000 . 5.000 3.613 2.022 4.198 . 0 0 "[ . 1 . 2 . 3]" 1 1623 1 152 ILE MD 1 153 MET H 5.000 . 5.500 3.939 3.351 5.170 . 0 0 "[ . 1 . 2 . 3]" 1 1624 1 152 ILE MD 1 186 LEU MD1 5.000 . 6.000 3.702 2.366 5.866 . 0 0 "[ . 1 . 2 . 3]" 1 1625 1 152 ILE MD 1 186 LEU MD2 5.000 . 6.000 3.575 2.297 5.232 . 0 0 "[ . 1 . 2 . 3]" 1 1626 1 152 ILE MD 1 187 SER H 5.000 . 6.000 3.839 2.625 5.256 . 0 0 "[ . 1 . 2 . 3]" 1 1627 1 152 ILE MD 1 190 LEU MD1 5.000 . 6.000 3.193 1.892 4.945 . 0 0 "[ . 1 . 2 . 3]" 1 1628 1 152 ILE MD 1 190 LEU MD2 5.000 . 6.000 3.075 2.019 5.203 . 0 0 "[ . 1 . 2 . 3]" 1 1629 1 152 ILE MD 1 190 LEU H 6.000 . 6.500 3.833 2.840 5.450 . 0 0 "[ . 1 . 2 . 3]" 1 1630 1 152 ILE H 1 152 ILE QG 4.000 . 4.000 3.359 1.981 4.052 0.052 17 0 "[ . 1 . 2 . 3]" 1 1631 1 152 ILE QG 1 190 LEU QD 4.000 . 4.500 3.349 2.000 4.388 . 0 0 "[ . 1 . 2 . 3]" 1 1632 1 152 ILE H 1 152 ILE MG 4.000 . 5.000 2.935 2.023 3.778 . 0 0 "[ . 1 . 2 . 3]" 1 1633 1 152 ILE MG 1 153 MET H 4.000 . 4.500 2.984 2.035 3.849 . 0 0 "[ . 1 . 2 . 3]" 1 1634 1 152 ILE MG 1 186 LEU QB 4.000 . 4.500 2.996 2.064 4.195 . 0 0 "[ . 1 . 2 . 3]" 1 1635 1 152 ILE MG 1 186 LEU MD2 5.000 . 6.000 4.643 2.661 6.012 0.012 19 0 "[ . 1 . 2 . 3]" 1 1636 1 152 ILE MG 1 186 LEU MD1 5.000 . 6.000 3.970 2.330 5.291 . 0 0 "[ . 1 . 2 . 3]" 1 1637 1 152 ILE MG 1 186 LEU H 6.000 . 6.500 5.283 4.491 6.221 . 0 0 "[ . 1 . 2 . 3]" 1 1638 1 152 ILE MG 1 187 SER H 5.000 . 5.500 3.545 2.711 4.215 . 0 0 "[ . 1 . 2 . 3]" 1 1639 1 152 ILE MG 1 190 LEU MD1 6.000 . 7.000 4.768 2.237 6.408 . 0 0 "[ . 1 . 2 . 3]" 1 1640 1 152 ILE H 1 187 SER HA 5.000 . 5.000 4.846 4.143 5.025 0.025 16 0 "[ . 1 . 2 . 3]" 1 1641 1 152 ILE H 1 190 LEU QD 5.000 . 5.500 3.445 2.361 4.701 . 0 0 "[ . 1 . 2 . 3]" 1 1642 1 153 MET HA 1 154 THR H 5.000 . 5.000 2.175 2.136 2.294 . 0 0 "[ . 1 . 2 . 3]" 1 1643 1 153 MET ME 1 158 PHE QD 5.000 . 6.000 3.351 2.373 4.283 . 0 0 "[ . 1 . 2 . 3]" 1 1644 1 153 MET ME 1 158 PHE QE 5.000 . 6.000 3.446 2.778 4.337 . 0 0 "[ . 1 . 2 . 3]" 1 1645 1 154 THR HA 1 155 TYR H 5.000 . 5.000 2.427 2.221 2.617 . 0 0 "[ . 1 . 2 . 3]" 1 1646 1 154 THR HB 1 155 TYR H 5.000 . 5.000 2.655 2.025 3.658 . 0 0 "[ . 1 . 2 . 3]" 1 1647 1 154 THR H 1 154 THR MG 4.000 . 4.500 2.934 2.075 3.825 . 0 0 "[ . 1 . 2 . 3]" 1 1648 1 154 THR MG 1 155 TYR H 4.000 . 5.000 3.169 1.798 4.156 0.002 20 0 "[ . 1 . 2 . 3]" 1 1649 1 154 THR MG 1 156 ASP H 5.000 . 5.500 4.097 1.933 4.808 . 0 0 "[ . 1 . 2 . 3]" 1 1650 1 154 THR H 1 157 GLU QB 5.000 . 5.000 2.291 1.774 3.533 0.026 12 0 "[ . 1 . 2 . 3]" 1 1651 1 154 THR H 1 157 GLU H 5.000 . 5.000 3.692 3.386 3.989 . 0 0 "[ . 1 . 2 . 3]" 1 1652 1 154 THR H 1 158 PHE QE 5.000 . 5.500 5.410 4.951 5.534 0.034 12 0 "[ . 1 . 2 . 3]" 1 1653 1 155 TYR HA 1 155 TYR QE 6.000 . 6.000 4.670 4.391 4.961 . 0 0 "[ . 1 . 2 . 3]" 1 1654 1 155 TYR HA 1 156 ASP H 5.000 . 5.000 3.559 3.527 3.576 . 0 0 "[ . 1 . 2 . 3]" 1 1655 1 155 TYR HA 1 179 LEU QD 5.000 . 5.500 2.970 2.297 3.972 . 0 0 "[ . 1 . 2 . 3]" 1 1656 1 155 TYR QB 1 156 ASP H 5.000 . 5.000 2.547 2.119 2.855 . 0 0 "[ . 1 . 2 . 3]" 1 1657 1 155 TYR H 1 155 TYR QD 5.000 . 5.500 4.092 3.811 4.183 . 0 0 "[ . 1 . 2 . 3]" 1 1658 1 155 TYR QD 1 156 ASP H 4.000 . 4.500 3.093 2.490 3.652 . 0 0 "[ . 1 . 2 . 3]" 1 1659 1 155 TYR QD 1 173 PHE QD 5.000 . 6.000 4.490 2.875 5.907 . 0 0 "[ . 1 . 2 . 3]" 1 1660 1 155 TYR QD 1 173 PHE QE 5.000 . 6.000 3.842 3.206 5.677 . 0 0 "[ . 1 . 2 . 3]" 1 1661 1 155 TYR QD 1 175 PRO HB3 5.000 . 5.500 3.441 2.671 5.081 . 0 0 "[ . 1 . 2 . 3]" 1 1662 1 155 TYR QD 1 175 PRO HB2 5.000 . 5.500 4.728 4.063 5.512 0.012 12 0 "[ . 1 . 2 . 3]" 1 1663 1 155 TYR QD 1 179 LEU QD 4.000 . 5.000 2.607 1.990 4.602 . 0 0 "[ . 1 . 2 . 3]" 1 1664 1 155 TYR H 1 155 TYR QE 6.000 . 7.000 6.127 5.901 6.222 . 0 0 "[ . 1 . 2 . 3]" 1 1665 1 155 TYR QE 1 156 ASP H 6.000 . 7.000 4.933 4.277 5.597 . 0 0 "[ . 1 . 2 . 3]" 1 1666 1 155 TYR QE 1 173 PHE QD 4.000 . 5.000 3.732 2.437 5.018 0.018 13 0 "[ . 1 . 2 . 3]" 1 1667 1 155 TYR QE 1 173 PHE HZ 6.000 . 7.000 6.099 4.324 7.030 0.030 12 0 "[ . 1 . 2 . 3]" 1 1668 1 155 TYR QE 1 175 PRO HB3 5.000 . 5.500 3.365 2.350 4.784 . 0 0 "[ . 1 . 2 . 3]" 1 1669 1 155 TYR QE 1 175 PRO HB2 5.000 . 5.500 4.458 3.616 5.325 . 0 0 "[ . 1 . 2 . 3]" 1 1670 1 155 TYR QE 1 175 PRO HG3 4.000 . 4.500 2.811 2.341 3.720 . 0 0 "[ . 1 . 2 . 3]" 1 1671 1 155 TYR QE 1 175 PRO HG2 4.000 . 4.500 3.989 2.506 4.568 0.068 4 0 "[ . 1 . 2 . 3]" 1 1672 1 155 TYR H 1 156 ASP H 4.000 . 4.000 2.844 2.534 3.051 . 0 0 "[ . 1 . 2 . 3]" 1 1673 1 155 TYR H 1 179 LEU QD 5.000 . 5.500 4.081 3.114 5.236 . 0 0 "[ . 1 . 2 . 3]" 1 1674 1 155 TYR H 1 179 LEU HG 6.000 . 6.000 5.989 5.751 6.084 0.084 12 0 "[ . 1 . 2 . 3]" 1 1675 1 156 ASP H 1 156 ASP HA 3.000 . 3.000 2.789 2.724 2.830 . 0 0 "[ . 1 . 2 . 3]" 1 1676 1 156 ASP HA 1 157 GLU H 5.000 . 5.000 3.559 3.436 3.576 . 0 0 "[ . 1 . 2 . 3]" 1 1677 1 156 ASP H 1 156 ASP HB3 4.000 . 4.000 3.139 2.361 3.591 . 0 0 "[ . 1 . 2 . 3]" 1 1678 1 156 ASP H 1 156 ASP HB2 4.000 . 4.000 2.378 2.062 3.582 . 0 0 "[ . 1 . 2 . 3]" 1 1679 1 156 ASP HB3 1 157 GLU H 5.000 . 5.000 2.815 2.096 4.227 . 0 0 "[ . 1 . 2 . 3]" 1 1680 1 156 ASP HB2 1 157 GLU H 5.000 . 5.000 3.088 2.094 3.947 . 0 0 "[ . 1 . 2 . 3]" 1 1681 1 156 ASP H 1 157 GLU H 4.000 . 4.000 2.857 2.656 3.075 . 0 0 "[ . 1 . 2 . 3]" 1 1682 1 157 GLU HA 1 160 HIS H 5.000 . 5.000 3.582 3.292 4.500 . 0 0 "[ . 1 . 2 . 3]" 1 1683 1 157 GLU H 1 157 GLU HB3 4.000 . 4.000 3.473 2.279 3.589 . 0 0 "[ . 1 . 2 . 3]" 1 1684 1 157 GLU H 1 157 GLU HB2 4.000 . 4.000 2.363 2.091 3.546 . 0 0 "[ . 1 . 2 . 3]" 1 1685 1 157 GLU QB 1 158 PHE H 4.000 . 4.000 2.706 1.980 3.588 . 0 0 "[ . 1 . 2 . 3]" 1 1686 1 157 GLU H 1 157 GLU QG 5.000 . 5.000 2.777 1.963 3.817 . 0 0 "[ . 1 . 2 . 3]" 1 1687 1 157 GLU H 1 158 PHE H 4.000 . 4.000 2.721 2.534 3.127 . 0 0 "[ . 1 . 2 . 3]" 1 1688 1 157 GLU H 1 159 LYS H 5.000 . 5.000 4.424 3.905 4.945 . 0 0 "[ . 1 . 2 . 3]" 1 1689 1 158 PHE H 1 158 PHE HB3 4.000 . 4.000 3.364 2.786 3.503 . 0 0 "[ . 1 . 2 . 3]" 1 1690 1 158 PHE H 1 158 PHE HB2 4.000 . 4.000 2.154 2.064 3.598 . 0 0 "[ . 1 . 2 . 3]" 1 1691 1 158 PHE QB 1 173 PHE QD 5.000 . 5.500 3.569 2.769 4.385 . 0 0 "[ . 1 . 2 . 3]" 1 1692 1 158 PHE H 1 158 PHE QD 4.000 . 4.500 3.279 2.585 3.659 . 0 0 "[ . 1 . 2 . 3]" 1 1693 1 158 PHE QD 1 179 LEU HG 5.000 . 5.500 5.069 4.220 5.502 0.002 9 0 "[ . 1 . 2 . 3]" 1 1694 1 158 PHE QD 1 179 LEU QD 5.000 . 6.000 3.563 3.002 4.273 . 0 0 "[ . 1 . 2 . 3]" 1 1695 1 158 PHE QE 1 179 LEU HG 5.000 . 5.500 5.140 3.203 5.519 0.019 1 0 "[ . 1 . 2 . 3]" 1 1696 1 158 PHE QE 1 179 LEU QD 5.000 . 6.000 3.957 2.918 4.966 . 0 0 "[ . 1 . 2 . 3]" 1 1697 1 158 PHE H 1 159 LYS H 4.000 . 4.000 2.780 2.547 2.982 . 0 0 "[ . 1 . 2 . 3]" 1 1698 1 159 LYS HA 1 160 HIS H 5.000 . 5.000 3.565 3.548 3.580 . 0 0 "[ . 1 . 2 . 3]" 1 1699 1 159 LYS HA 1 173 PHE QD 5.000 . 5.500 3.580 3.016 3.916 . 0 0 "[ . 1 . 2 . 3]" 1 1700 1 159 LYS HB3 1 160 HIS H 5.000 . 5.000 2.479 2.106 3.681 . 0 0 "[ . 1 . 2 . 3]" 1 1701 1 159 LYS HB2 1 160 HIS H 5.000 . 5.000 3.486 2.552 3.858 . 0 0 "[ . 1 . 2 . 3]" 1 1702 1 159 LYS QB 1 173 PHE QD 5.000 . 5.500 4.402 3.395 5.429 . 0 0 "[ . 1 . 2 . 3]" 1 1703 1 159 LYS QD 1 173 PHE QD 5.000 . 5.500 4.979 3.638 5.525 0.025 7 0 "[ . 1 . 2 . 3]" 1 1704 1 159 LYS H 1 160 HIS H 4.000 . 4.000 2.834 2.627 3.040 . 0 0 "[ . 1 . 2 . 3]" 1 1705 1 159 LYS H 1 173 PHE QD 5.000 . 5.500 4.719 4.061 5.512 0.012 5 0 "[ . 1 . 2 . 3]" 1 1706 1 159 LYS H 1 173 PHE QE 5.000 . 5.500 5.309 4.262 5.552 0.052 24 0 "[ . 1 . 2 . 3]" 1 1707 1 160 HIS HA 1 160 HIS HD2 5.000 . 5.000 4.768 3.709 4.991 . 0 0 "[ . 1 . 2 . 3]" 1 1708 1 160 HIS HA 1 161 CYS H 5.000 . 5.000 3.569 3.547 3.578 . 0 0 "[ . 1 . 2 . 3]" 1 1709 1 160 HIS HA 1 164 THR MG 5.000 . 5.500 5.413 5.194 5.555 0.055 7 0 "[ . 1 . 2 . 3]" 1 1710 1 160 HIS H 1 160 HIS HB3 4.000 . 4.000 2.097 2.072 2.186 . 0 0 "[ . 1 . 2 . 3]" 1 1711 1 160 HIS H 1 160 HIS HB2 4.000 . 4.000 3.185 3.019 3.318 . 0 0 "[ . 1 . 2 . 3]" 1 1712 1 160 HIS HB3 1 161 CYS H 5.000 . 5.000 2.828 2.609 3.056 . 0 0 "[ . 1 . 2 . 3]" 1 1713 1 160 HIS HB2 1 161 CYS H 5.000 . 5.000 3.917 3.859 4.126 . 0 0 "[ . 1 . 2 . 3]" 1 1714 1 160 HIS H 1 161 CYS H 4.000 . 4.000 2.787 2.650 3.024 . 0 0 "[ . 1 . 2 . 3]" 1 1715 1 160 HIS H 1 162 TRP H 5.000 . 5.000 3.953 3.707 4.871 . 0 0 "[ . 1 . 2 . 3]" 1 1716 1 160 HIS HD2 1 161 CYS HA 5.000 . 5.000 3.895 3.086 5.065 0.065 7 0 "[ . 1 . 2 . 3]" 1 1717 1 160 HIS HD2 1 164 THR MG 6.000 . 6.500 5.524 3.511 6.443 . 0 0 "[ . 1 . 2 . 3]" 1 1718 1 160 HIS HE1 1 164 THR MG 5.000 . 5.500 2.545 2.210 4.107 . 0 0 "[ . 1 . 2 . 3]" 1 1719 1 161 CYS HA 1 164 THR H 5.000 . 5.000 3.685 3.252 3.927 . 0 0 "[ . 1 . 2 . 3]" 1 1720 1 161 CYS H 1 161 CYS HB3 4.000 . 4.000 3.074 2.706 3.596 . 0 0 "[ . 1 . 2 . 3]" 1 1721 1 161 CYS H 1 161 CYS HB2 4.000 . 4.000 2.246 2.065 2.573 . 0 0 "[ . 1 . 2 . 3]" 1 1722 1 161 CYS H 1 161 CYS HG 4.000 . 4.500 4.263 3.565 4.534 0.034 23 0 "[ . 1 . 2 . 3]" 1 1723 1 161 CYS HG 1 162 TRP H 5.000 . 5.500 5.264 4.865 5.477 . 0 0 "[ . 1 . 2 . 3]" 1 1724 1 161 CYS H 1 162 TRP H 4.000 . 4.000 2.731 2.629 2.968 . 0 0 "[ . 1 . 2 . 3]" 1 1725 1 162 TRP H 1 162 TRP HA 3.000 . 3.000 2.827 2.720 2.872 . 0 0 "[ . 1 . 2 . 3]" 1 1726 1 162 TRP HA 1 163 ASP H 5.000 . 5.000 3.563 3.500 3.577 . 0 0 "[ . 1 . 2 . 3]" 1 1727 1 162 TRP HB3 1 163 ASP H 5.000 . 5.000 2.347 2.169 2.982 . 0 0 "[ . 1 . 2 . 3]" 1 1728 1 162 TRP HB2 1 163 ASP H 5.000 . 5.000 3.715 3.631 4.194 . 0 0 "[ . 1 . 2 . 3]" 1 1729 1 162 TRP QB 1 166 VAL QG 5.000 . 5.000 3.907 3.552 4.350 . 0 0 "[ . 1 . 2 . 3]" 1 1730 1 162 TRP HB3 1 173 PHE QD 5.000 . 5.500 3.661 2.495 4.130 . 0 0 "[ . 1 . 2 . 3]" 1 1731 1 162 TRP HB2 1 173 PHE QD 5.000 . 5.500 2.955 2.332 3.615 . 0 0 "[ . 1 . 2 . 3]" 1 1732 1 162 TRP H 1 162 TRP HD1 5.000 . 5.000 4.383 4.247 4.775 . 0 0 "[ . 1 . 2 . 3]" 1 1733 1 162 TRP HD1 1 163 ASP H 5.000 . 5.000 2.089 1.973 2.957 . 0 0 "[ . 1 . 2 . 3]" 1 1734 1 162 TRP HD1 1 166 VAL MG1 6.000 . 6.500 5.307 4.699 5.682 . 0 0 "[ . 1 . 2 . 3]" 1 1735 1 162 TRP HD1 1 166 VAL MG2 6.000 . 6.500 5.112 4.612 6.285 . 0 0 "[ . 1 . 2 . 3]" 1 1736 1 162 TRP HD1 1 173 PHE QB 5.000 . 5.500 3.312 2.667 4.644 . 0 0 "[ . 1 . 2 . 3]" 1 1737 1 162 TRP HD1 1 173 PHE QD 5.000 . 5.500 4.615 3.553 5.096 . 0 0 "[ . 1 . 2 . 3]" 1 1738 1 162 TRP HD1 1 173 PHE H 4.000 . 4.000 2.999 2.104 3.894 . 0 0 "[ . 1 . 2 . 3]" 1 1739 1 162 TRP HE1 1 166 VAL QG 5.000 . 5.500 3.939 3.662 4.341 . 0 0 "[ . 1 . 2 . 3]" 1 1740 1 162 TRP HE1 1 168 HIS QB 5.000 . 5.000 2.453 1.782 5.019 0.019 6 0 "[ . 1 . 2 . 3]" 1 1741 1 162 TRP HE1 1 171 CYS H 5.000 . 5.000 4.407 3.784 4.889 . 0 0 "[ . 1 . 2 . 3]" 1 1742 1 162 TRP HE1 1 172 PRO HA 5.000 . 5.000 2.465 1.861 3.426 . 0 0 "[ . 1 . 2 . 3]" 1 1743 1 162 TRP HE1 1 172 PRO HD3 5.000 . 5.500 5.198 4.790 5.557 0.057 16 0 "[ . 1 . 2 . 3]" 1 1744 1 162 TRP HE1 1 172 PRO HD2 5.000 . 5.500 5.351 4.803 5.579 0.079 23 0 "[ . 1 . 2 . 3]" 1 1745 1 162 TRP HE1 1 173 PHE QB 5.000 . 5.000 4.018 3.406 4.668 . 0 0 "[ . 1 . 2 . 3]" 1 1746 1 162 TRP HE1 1 173 PHE QD 5.000 . 5.500 5.157 4.486 5.545 0.045 26 0 "[ . 1 . 2 . 3]" 1 1747 1 162 TRP HE1 1 173 PHE H 5.000 . 5.000 3.247 2.376 4.190 . 0 0 "[ . 1 . 2 . 3]" 1 1748 1 162 TRP HE3 1 166 VAL MG1 5.000 . 5.500 4.293 3.810 4.768 . 0 0 "[ . 1 . 2 . 3]" 1 1749 1 162 TRP HE3 1 166 VAL MG2 5.000 . 5.500 2.906 2.589 3.870 . 0 0 "[ . 1 . 2 . 3]" 1 1750 1 162 TRP HE3 1 173 PHE QD 4.000 . 5.000 3.444 2.575 4.460 . 0 0 "[ . 1 . 2 . 3]" 1 1751 1 162 TRP HH2 1 166 VAL MG1 5.000 . 5.500 3.021 2.769 4.366 . 0 0 "[ . 1 . 2 . 3]" 1 1752 1 162 TRP HH2 1 166 VAL MG2 5.000 . 5.500 3.899 3.672 5.512 0.012 22 0 "[ . 1 . 2 . 3]" 1 1753 1 162 TRP H 1 163 ASP H 4.000 . 4.000 2.957 2.797 3.247 . 0 0 "[ . 1 . 2 . 3]" 1 1754 1 162 TRP H 1 173 PHE QD 5.000 . 5.500 5.313 4.564 5.546 0.046 23 0 "[ . 1 . 2 . 3]" 1 1755 1 162 TRP HZ2 1 166 VAL QG 5.000 . 5.500 3.062 2.822 4.227 . 0 0 "[ . 1 . 2 . 3]" 1 1756 1 162 TRP HZ2 1 171 CYS HB3 5.000 . 5.000 3.131 2.343 4.416 . 0 0 "[ . 1 . 2 . 3]" 1 1757 1 162 TRP HZ2 1 171 CYS HB2 5.000 . 5.000 3.847 2.599 5.030 0.030 25 0 "[ . 1 . 2 . 3]" 1 1758 1 162 TRP HZ2 1 171 CYS H 5.000 . 5.000 5.052 4.965 5.144 0.144 7 0 "[ . 1 . 2 . 3]" 1 1759 1 162 TRP HZ2 1 173 PHE H 6.000 . 6.000 5.139 3.862 6.022 0.022 16 0 "[ . 1 . 2 . 3]" 1 1760 1 162 TRP HZ3 1 166 VAL MG1 5.000 . 5.500 3.648 3.294 4.125 . 0 0 "[ . 1 . 2 . 3]" 1 1761 1 162 TRP HZ3 1 166 VAL MG2 5.000 . 5.500 3.114 2.840 4.369 . 0 0 "[ . 1 . 2 . 3]" 1 1762 1 163 ASP H 1 163 ASP HA 3.000 . 3.000 2.821 2.778 2.897 . 0 0 "[ . 1 . 2 . 3]" 1 1763 1 163 ASP H 1 163 ASP QB 3.000 . 3.000 2.367 2.040 2.868 . 0 0 "[ . 1 . 2 . 3]" 1 1764 1 163 ASP QB 1 164 THR H 5.000 . 5.000 3.298 2.563 3.689 . 0 0 "[ . 1 . 2 . 3]" 1 1765 1 163 ASP H 1 164 THR H 4.000 . 4.000 2.671 2.472 2.849 . 0 0 "[ . 1 . 2 . 3]" 1 1766 1 164 THR HA 1 165 PHE H 5.000 . 5.000 3.485 3.422 3.581 . 0 0 "[ . 1 . 2 . 3]" 1 1767 1 164 THR H 1 164 THR HB 4.000 . 4.000 2.492 2.367 2.755 . 0 0 "[ . 1 . 2 . 3]" 1 1768 1 164 THR H 1 164 THR MG 4.000 . 4.500 3.758 3.727 3.780 . 0 0 "[ . 1 . 2 . 3]" 1 1769 1 164 THR MG 1 165 PHE HA 5.000 . 5.500 3.868 3.653 4.257 . 0 0 "[ . 1 . 2 . 3]" 1 1770 1 164 THR MG 1 165 PHE QD 5.000 . 6.000 3.240 2.636 4.562 . 0 0 "[ . 1 . 2 . 3]" 1 1771 1 164 THR MG 1 165 PHE QE 4.000 . 5.000 3.186 2.393 4.594 . 0 0 "[ . 1 . 2 . 3]" 1 1772 1 164 THR MG 1 165 PHE H 5.000 . 5.500 3.738 3.456 4.155 . 0 0 "[ . 1 . 2 . 3]" 1 1773 1 164 THR MG 1 166 VAL H 6.000 . 6.500 4.897 4.353 5.033 . 0 0 "[ . 1 . 2 . 3]" 1 1774 1 164 THR H 1 165 PHE H 4.000 . 4.000 2.445 2.336 2.861 . 0 0 "[ . 1 . 2 . 3]" 1 1775 1 165 PHE HA 1 165 PHE HD1 4.000 . 4.500 2.748 2.339 3.777 . 0 0 "[ . 1 . 2 . 3]" 1 1776 1 165 PHE HB3 1 166 VAL H 5.000 . 5.000 4.303 4.152 4.386 . 0 0 "[ . 1 . 2 . 3]" 1 1777 1 165 PHE HB2 1 166 VAL H 5.000 . 5.000 3.966 3.819 4.023 . 0 0 "[ . 1 . 2 . 3]" 1 1778 1 165 PHE H 1 165 PHE QD 5.000 . 5.500 3.270 2.820 3.738 . 0 0 "[ . 1 . 2 . 3]" 1 1779 1 165 PHE QD 1 166 VAL H 5.000 . 5.500 4.902 4.777 4.969 . 0 0 "[ . 1 . 2 . 3]" 1 1780 1 165 PHE H 1 166 VAL H 4.000 . 4.000 2.388 2.171 2.878 . 0 0 "[ . 1 . 2 . 3]" 1 1781 1 166 VAL HA 1 167 ASP H 4.000 . 4.000 2.219 2.143 2.292 . 0 0 "[ . 1 . 2 . 3]" 1 1782 1 166 VAL H 1 166 VAL HB 4.000 . 4.000 2.728 2.587 2.877 . 0 0 "[ . 1 . 2 . 3]" 1 1783 1 166 VAL QG 1 168 HIS HA 5.000 . 5.500 2.768 2.530 3.620 . 0 0 "[ . 1 . 2 . 3]" 1 1784 1 166 VAL MG1 1 167 ASP H 5.000 . 5.500 2.129 1.787 3.042 0.013 18 0 "[ . 1 . 2 . 3]" 1 1785 1 166 VAL MG2 1 167 ASP H 5.000 . 5.500 3.725 3.101 4.077 . 0 0 "[ . 1 . 2 . 3]" 1 1786 1 166 VAL QG 1 167 ASP QB 5.000 . 6.000 3.623 3.142 4.411 . 0 0 "[ . 1 . 2 . 3]" 1 1787 1 166 VAL QG 1 168 HIS HD2 5.000 . 5.500 4.992 4.136 5.591 0.091 9 0 "[ . 1 . 2 . 3]" 1 1788 1 166 VAL QG 1 168 HIS H 5.000 . 5.500 2.077 1.915 2.548 . 0 0 "[ . 1 . 2 . 3]" 1 1789 1 166 VAL MG2 1 169 GLN H 6.000 . 6.500 6.655 6.332 6.774 0.274 15 0 "[ . 1 . 2 . 3]" 1 1790 1 166 VAL QG 1 173 PHE QD 5.000 . 6.000 5.093 4.401 5.848 . 0 0 "[ . 1 . 2 . 3]" 1 1791 1 166 VAL H 1 167 ASP H 5.000 . 5.000 4.363 4.022 4.459 . 0 0 "[ . 1 . 2 . 3]" 1 1792 1 167 ASP HA 1 168 HIS H 4.000 . 4.000 2.832 2.479 2.938 . 0 0 "[ . 1 . 2 . 3]" 1 1793 1 167 ASP HA 1 169 GLN H 5.000 . 5.000 3.372 2.830 3.964 . 0 0 "[ . 1 . 2 . 3]" 1 1794 1 167 ASP H 1 168 HIS H 5.000 . 5.000 3.153 2.964 3.704 . 0 0 "[ . 1 . 2 . 3]" 1 1795 1 168 HIS HA 1 169 GLN H 5.000 . 5.000 3.467 3.330 3.556 . 0 0 "[ . 1 . 2 . 3]" 1 1796 1 168 HIS HA 1 168 HIS HD2 5.000 . 5.000 4.350 3.933 4.970 . 0 0 "[ . 1 . 2 . 3]" 1 1797 1 168 HIS QB 1 169 GLN H 5.000 . 5.000 3.188 2.518 3.775 . 0 0 "[ . 1 . 2 . 3]" 1 1798 1 168 HIS HD2 1 169 GLN H 4.000 . 4.000 2.135 1.923 3.827 . 0 0 "[ . 1 . 2 . 3]" 1 1799 1 168 HIS HD2 1 170 GLY QA 4.000 . 4.000 4.080 3.417 4.210 0.210 19 0 "[ . 1 . 2 . 3]" 1 1800 1 168 HIS HD2 1 170 GLY H 3.000 . 3.000 2.491 1.759 2.790 0.041 6 0 "[ . 1 . 2 . 3]" 1 1801 1 168 HIS HD2 1 171 CYS H 4.000 . 4.000 3.761 1.798 4.060 0.060 9 0 "[ . 1 . 2 . 3]" 1 1802 1 168 HIS H 1 169 GLN H 3.000 . 3.000 2.897 2.204 3.117 0.117 28 0 "[ . 1 . 2 . 3]" 1 1803 1 168 HIS H 1 170 GLY H 5.000 . 5.000 4.662 4.090 5.074 0.074 6 0 "[ . 1 . 2 . 3]" 1 1804 1 168 HIS H 1 171 CYS H 6.000 . 6.000 4.857 4.622 5.024 . 0 0 "[ . 1 . 2 . 3]" 1 1805 1 169 GLN HA 1 169 GLN QE 5.000 . 5.500 3.580 2.089 4.615 . 0 0 "[ . 1 . 2 . 3]" 1 1806 1 169 GLN HA 1 169 GLN HG3 4.000 . 4.000 3.289 2.336 3.727 . 0 0 "[ . 1 . 2 . 3]" 1 1807 1 169 GLN HA 1 169 GLN HG2 4.000 . 4.000 2.547 2.334 3.592 . 0 0 "[ . 1 . 2 . 3]" 1 1808 1 169 GLN H 1 169 GLN HA 3.000 . 3.000 2.314 2.294 2.329 . 0 0 "[ . 1 . 2 . 3]" 1 1809 1 169 GLN HA 1 170 GLY H 5.000 . 5.000 3.080 2.426 3.240 . 0 0 "[ . 1 . 2 . 3]" 1 1810 1 169 GLN QB 1 169 GLN HE22 5.000 . 5.000 3.934 3.156 4.383 . 0 0 "[ . 1 . 2 . 3]" 1 1811 1 169 GLN H 1 169 GLN HB3 4.000 . 4.000 4.003 3.951 4.060 0.060 8 0 "[ . 1 . 2 . 3]" 1 1812 1 169 GLN H 1 169 GLN HB2 4.000 . 4.000 3.328 3.149 3.545 . 0 0 "[ . 1 . 2 . 3]" 1 1813 1 169 GLN HB3 1 170 GLY H 5.000 . 5.000 4.342 4.227 4.478 . 0 0 "[ . 1 . 2 . 3]" 1 1814 1 169 GLN HB2 1 170 GLY H 5.000 . 5.000 3.921 3.637 4.567 . 0 0 "[ . 1 . 2 . 3]" 1 1815 1 169 GLN HE22 1 169 GLN HG3 4.000 . 4.000 3.835 3.512 4.068 0.068 10 0 "[ . 1 . 2 . 3]" 1 1816 1 169 GLN HE22 1 169 GLN HG2 4.000 . 4.000 3.683 3.511 4.105 0.105 24 0 "[ . 1 . 2 . 3]" 1 1817 1 169 GLN H 1 169 GLN QE 6.000 . 6.000 4.226 2.431 5.148 . 0 0 "[ . 1 . 2 . 3]" 1 1818 1 169 GLN H 1 169 GLN HG3 4.000 . 4.000 3.436 2.465 4.061 0.061 6 0 "[ . 1 . 2 . 3]" 1 1819 1 169 GLN H 1 169 GLN HG2 4.000 . 4.000 2.919 2.310 4.076 0.076 28 0 "[ . 1 . 2 . 3]" 1 1820 1 169 GLN H 1 170 GLY H 4.000 . 4.000 2.889 2.768 3.388 . 0 0 "[ . 1 . 2 . 3]" 1 1821 1 169 GLN H 1 171 CYS H 5.000 . 5.000 4.073 3.793 4.534 . 0 0 "[ . 1 . 2 . 3]" 1 1822 1 170 GLY HA3 1 171 CYS H 4.000 . 4.000 3.394 3.126 3.579 . 0 0 "[ . 1 . 2 . 3]" 1 1823 1 170 GLY HA2 1 171 CYS H 4.000 . 4.000 3.125 2.714 3.449 . 0 0 "[ . 1 . 2 . 3]" 1 1824 1 170 GLY H 1 171 CYS H 4.000 . 4.000 1.852 1.705 2.200 0.095 18 0 "[ . 1 . 2 . 3]" 1 1825 1 171 CYS H 1 171 CYS HB3 4.000 . 4.000 3.397 2.358 3.812 . 0 0 "[ . 1 . 2 . 3]" 1 1826 1 171 CYS H 1 171 CYS HB2 4.000 . 4.000 2.544 2.269 3.583 . 0 0 "[ . 1 . 2 . 3]" 1 1827 1 171 CYS HB3 1 172 PRO QD 5.000 . 5.000 4.005 2.910 4.374 . 0 0 "[ . 1 . 2 . 3]" 1 1828 1 171 CYS HB2 1 172 PRO QD 5.000 . 5.000 4.330 3.205 4.474 . 0 0 "[ . 1 . 2 . 3]" 1 1829 1 172 PRO HA 1 173 PHE H 3.000 . 3.000 2.326 2.167 2.462 . 0 0 "[ . 1 . 2 . 3]" 1 1830 1 172 PRO HB3 1 173 PHE H 5.000 . 5.000 3.412 2.742 3.987 . 0 0 "[ . 1 . 2 . 3]" 1 1831 1 172 PRO HB2 1 173 PHE H 5.000 . 5.000 3.069 2.480 3.639 . 0 0 "[ . 1 . 2 . 3]" 1 1832 1 173 PHE HA 1 173 PHE QD 3.000 . 3.500 2.622 2.302 3.561 0.061 5 0 "[ . 1 . 2 . 3]" 1 1833 1 173 PHE HA 1 174 GLN H 3.000 . 3.000 2.210 2.146 2.283 . 0 0 "[ . 1 . 2 . 3]" 1 1834 1 173 PHE H 1 173 PHE HB3 4.000 . 4.000 2.480 2.148 2.765 . 0 0 "[ . 1 . 2 . 3]" 1 1835 1 173 PHE H 1 173 PHE HB2 4.000 . 4.000 2.783 2.295 3.648 . 0 0 "[ . 1 . 2 . 3]" 1 1836 1 173 PHE HB3 1 174 GLN H 5.000 . 5.000 4.104 3.780 4.572 . 0 0 "[ . 1 . 2 . 3]" 1 1837 1 173 PHE HB2 1 174 GLN H 5.000 . 5.000 3.994 3.258 4.262 . 0 0 "[ . 1 . 2 . 3]" 1 1838 1 173 PHE H 1 173 PHE QD 5.000 . 5.500 3.882 2.687 4.193 . 0 0 "[ . 1 . 2 . 3]" 1 1839 1 173 PHE QD 1 174 GLN HA 4.000 . 4.500 4.434 3.749 4.561 0.061 8 0 "[ . 1 . 2 . 3]" 1 1840 1 173 PHE QD 1 174 GLN H 5.000 . 5.500 3.083 2.281 3.569 . 0 0 "[ . 1 . 2 . 3]" 1 1841 1 173 PHE QD 1 175 PRO QD 5.000 . 5.500 3.507 2.326 5.140 . 0 0 "[ . 1 . 2 . 3]" 1 1842 1 173 PHE QD 1 179 LEU QD 5.000 . 6.000 4.436 3.665 5.998 . 0 0 "[ . 1 . 2 . 3]" 1 1843 1 173 PHE QE 1 175 PRO HA 5.000 . 5.500 2.778 2.330 3.353 . 0 0 "[ . 1 . 2 . 3]" 1 1844 1 173 PHE QE 1 176 TRP HZ3 4.000 . 4.500 3.353 2.343 4.513 0.013 22 0 "[ . 1 . 2 . 3]" 1 1845 1 173 PHE QE 1 176 TRP H 5.000 . 5.500 4.114 3.142 4.569 . 0 0 "[ . 1 . 2 . 3]" 1 1846 1 173 PHE QE 1 179 LEU HG 4.000 . 5.500 5.179 3.326 5.549 0.049 8 0 "[ . 1 . 2 . 3]" 1 1847 1 173 PHE QE 1 179 LEU QD 4.000 . 5.000 2.878 2.125 4.354 . 0 0 "[ . 1 . 2 . 3]" 1 1848 1 173 PHE H 1 174 GLN H 5.000 . 5.000 4.545 4.195 4.639 . 0 0 "[ . 1 . 2 . 3]" 1 1849 1 173 PHE HZ 1 175 PRO HA 4.000 . 4.000 3.262 2.407 4.017 0.017 19 0 "[ . 1 . 2 . 3]" 1 1850 1 173 PHE HZ 1 176 TRP H 5.000 . 5.000 4.245 2.776 5.029 0.029 21 0 "[ . 1 . 2 . 3]" 1 1851 1 173 PHE HZ 1 176 TRP HE3 5.000 . 5.000 4.132 2.346 5.015 0.015 17 0 "[ . 1 . 2 . 3]" 1 1852 1 173 PHE HZ 1 176 TRP HZ3 4.000 . 4.000 3.348 2.377 3.992 . 0 0 "[ . 1 . 2 . 3]" 1 1853 1 173 PHE HZ 1 179 LEU QD 4.000 . 5.000 3.187 2.124 4.814 . 0 0 "[ . 1 . 2 . 3]" 1 1854 1 174 GLN HA 1 175 PRO QD 3.000 . 3.000 2.140 2.103 2.153 . 0 0 "[ . 1 . 2 . 3]" 1 1855 1 174 GLN H 1 174 GLN HB3 4.000 . 4.000 3.284 2.522 3.869 . 0 0 "[ . 1 . 2 . 3]" 1 1856 1 174 GLN H 1 174 GLN HB2 4.000 . 4.000 2.815 2.136 3.655 . 0 0 "[ . 1 . 2 . 3]" 1 1857 1 174 GLN HE22 1 174 GLN HG3 4.000 . 4.500 3.803 3.509 4.117 . 0 0 "[ . 1 . 2 . 3]" 1 1858 1 174 GLN HE22 1 174 GLN HG2 4.000 . 4.500 3.766 3.510 4.119 . 0 0 "[ . 1 . 2 . 3]" 1 1859 1 174 GLN H 1 174 GLN QE 5.000 . 5.500 4.421 2.742 5.507 0.007 6 0 "[ . 1 . 2 . 3]" 1 1860 1 174 GLN H 1 174 GLN HG3 5.000 . 5.000 3.532 1.801 4.813 . 0 0 "[ . 1 . 2 . 3]" 1 1861 1 174 GLN H 1 174 GLN HG2 5.000 . 5.000 3.489 1.798 4.846 0.002 20 0 "[ . 1 . 2 . 3]" 1 1862 1 174 GLN H 1 175 PRO QD 5.000 . 5.000 3.890 3.389 4.440 . 0 0 "[ . 1 . 2 . 3]" 1 1863 1 175 PRO HA 1 176 TRP H 3.000 . 3.000 2.218 2.171 2.373 . 0 0 "[ . 1 . 2 . 3]" 1 1864 1 175 PRO HA 1 179 LEU QD 5.000 . 5.000 2.807 2.277 3.963 . 0 0 "[ . 1 . 2 . 3]" 1 1865 1 175 PRO HB3 1 176 TRP H 5.000 . 5.000 3.761 3.081 3.998 . 0 0 "[ . 1 . 2 . 3]" 1 1866 1 175 PRO HB2 1 176 TRP H 5.000 . 5.000 3.426 2.766 3.948 . 0 0 "[ . 1 . 2 . 3]" 1 1867 1 176 TRP HA 1 177 ASP H 3.000 . 3.000 2.475 2.164 2.761 . 0 0 "[ . 1 . 2 . 3]" 1 1868 1 176 TRP HB3 1 177 ASP H 4.000 . 4.000 3.579 3.266 4.022 0.022 4 0 "[ . 1 . 2 . 3]" 1 1869 1 176 TRP HB2 1 177 ASP H 4.000 . 4.000 2.351 1.809 3.301 . 0 0 "[ . 1 . 2 . 3]" 1 1870 1 176 TRP H 1 176 TRP HD1 5.000 . 5.000 3.592 2.957 4.063 . 0 0 "[ . 1 . 2 . 3]" 1 1871 1 176 TRP HD1 1 177 ASP HA 6.000 . 6.000 4.314 3.734 5.218 . 0 0 "[ . 1 . 2 . 3]" 1 1872 1 176 TRP HD1 1 177 ASP H 5.000 . 5.000 3.746 2.730 4.866 . 0 0 "[ . 1 . 2 . 3]" 1 1873 1 176 TRP HE1 1 179 LEU HA 5.000 . 5.000 2.805 1.824 3.806 . 0 0 "[ . 1 . 2 . 3]" 1 1874 1 176 TRP HE1 1 179 LEU HG 5.000 . 5.000 4.056 1.995 5.009 0.009 12 0 "[ . 1 . 2 . 3]" 1 1875 1 176 TRP HE1 1 179 LEU QD 5.000 . 5.500 2.844 1.982 4.390 . 0 0 "[ . 1 . 2 . 3]" 1 1876 1 176 TRP HE1 1 179 LEU H 6.000 . 6.000 3.552 2.413 5.693 . 0 0 "[ . 1 . 2 . 3]" 1 1877 1 176 TRP HE1 1 182 HIS HD2 5.000 . 5.000 2.918 1.797 4.877 0.003 15 0 "[ . 1 . 2 . 3]" 1 1878 1 176 TRP H 1 176 TRP HE3 4.000 . 4.000 3.264 2.673 4.004 0.004 27 0 "[ . 1 . 2 . 3]" 1 1879 1 176 TRP HH2 1 179 LEU QD 5.000 . 5.500 4.051 3.094 5.344 . 0 0 "[ . 1 . 2 . 3]" 1 1880 1 176 TRP H 1 177 ASP H 5.000 . 5.000 4.517 4.369 4.633 . 0 0 "[ . 1 . 2 . 3]" 1 1881 1 176 TRP H 1 179 LEU HG 5.000 . 5.500 5.127 4.243 5.531 0.031 23 0 "[ . 1 . 2 . 3]" 1 1882 1 176 TRP H 1 179 LEU QD 5.000 . 5.500 2.990 2.403 3.742 . 0 0 "[ . 1 . 2 . 3]" 1 1883 1 176 TRP HZ2 1 179 LEU HG 5.000 . 5.000 4.529 2.989 5.041 0.041 4 0 "[ . 1 . 2 . 3]" 1 1884 1 176 TRP HZ2 1 179 LEU QD 5.000 . 5.000 3.027 2.176 4.237 . 0 0 "[ . 1 . 2 . 3]" 1 1885 1 177 ASP HA 1 178 GLY H 3.000 . 3.000 2.245 2.145 2.304 . 0 0 "[ . 1 . 2 . 3]" 1 1886 1 177 ASP HA 1 179 LEU H 5.000 . 5.000 3.845 3.571 4.292 . 0 0 "[ . 1 . 2 . 3]" 1 1887 1 177 ASP H 1 177 ASP HB3 4.000 . 4.000 3.227 2.434 3.640 . 0 0 "[ . 1 . 2 . 3]" 1 1888 1 177 ASP H 1 177 ASP HB2 4.000 . 4.000 2.676 2.121 3.624 . 0 0 "[ . 1 . 2 . 3]" 1 1889 1 177 ASP HB3 1 178 GLY H 5.000 . 5.000 4.170 3.681 4.563 . 0 0 "[ . 1 . 2 . 3]" 1 1890 1 177 ASP HB2 1 178 GLY H 5.000 . 5.000 4.418 3.762 4.664 . 0 0 "[ . 1 . 2 . 3]" 1 1891 1 178 GLY QA 1 179 LEU H 5.000 . 5.000 2.829 2.629 2.918 . 0 0 "[ . 1 . 2 . 3]" 1 1892 1 178 GLY QA 1 180 ASP H 5.000 . 5.000 3.724 3.331 4.103 . 0 0 "[ . 1 . 2 . 3]" 1 1893 1 178 GLY QA 1 181 GLU H 5.000 . 5.000 3.209 2.829 3.540 . 0 0 "[ . 1 . 2 . 3]" 1 1894 1 178 GLY H 1 179 LEU H 4.000 . 4.000 1.996 1.642 2.548 0.158 11 0 "[ . 1 . 2 . 3]" 1 1895 1 178 GLY H 1 182 HIS HD2 5.000 . 5.000 4.977 4.813 5.164 0.164 23 0 "[ . 1 . 2 . 3]" 1 1896 1 179 LEU H 1 179 LEU HA 3.000 . 3.000 2.763 2.699 2.877 . 0 0 "[ . 1 . 2 . 3]" 1 1897 1 179 LEU HA 1 180 ASP H 5.000 . 5.000 3.538 3.487 3.570 . 0 0 "[ . 1 . 2 . 3]" 1 1898 1 179 LEU H 1 179 LEU MD1 5.000 . 5.500 3.677 1.744 4.242 0.056 11 0 "[ . 1 . 2 . 3]" 1 1899 1 179 LEU H 1 179 LEU MD2 5.000 . 5.500 4.054 2.657 4.381 . 0 0 "[ . 1 . 2 . 3]" 1 1900 1 179 LEU QD 1 180 ASP H 5.000 . 5.500 3.612 2.897 4.090 . 0 0 "[ . 1 . 2 . 3]" 1 1901 1 179 LEU QD 1 182 HIS QB 5.000 . 5.500 4.014 2.819 5.076 . 0 0 "[ . 1 . 2 . 3]" 1 1902 1 179 LEU HG 1 182 HIS QB 5.000 . 5.500 4.570 3.595 5.656 0.156 23 0 "[ . 1 . 2 . 3]" 1 1903 1 179 LEU H 1 179 LEU HG 5.000 . 5.000 4.259 3.484 4.416 . 0 0 "[ . 1 . 2 . 3]" 1 1904 1 179 LEU HG 1 180 ASP H 5.000 . 5.000 4.566 4.033 5.088 0.088 11 0 "[ . 1 . 2 . 3]" 1 1905 1 179 LEU H 1 180 ASP H 4.000 . 4.000 2.828 2.558 3.005 . 0 0 "[ . 1 . 2 . 3]" 1 1906 1 179 LEU H 1 181 GLU H 5.000 . 5.000 4.510 3.682 4.996 . 0 0 "[ . 1 . 2 . 3]" 1 1907 1 180 ASP H 1 180 ASP HA 3.000 . 3.000 2.823 2.750 2.889 . 0 0 "[ . 1 . 2 . 3]" 1 1908 1 180 ASP HA 1 181 GLU H 5.000 . 5.000 3.554 3.444 3.576 . 0 0 "[ . 1 . 2 . 3]" 1 1909 1 180 ASP HA 1 183 SER H 5.000 . 5.000 3.893 3.537 4.673 . 0 0 "[ . 1 . 2 . 3]" 1 1910 1 180 ASP H 1 180 ASP HB3 4.000 . 4.000 3.111 2.389 3.594 . 0 0 "[ . 1 . 2 . 3]" 1 1911 1 180 ASP H 1 180 ASP HB2 4.000 . 4.000 2.714 2.070 3.596 . 0 0 "[ . 1 . 2 . 3]" 1 1912 1 180 ASP HB3 1 181 GLU H 4.000 . 4.000 3.175 2.059 4.061 0.061 15 0 "[ . 1 . 2 . 3]" 1 1913 1 180 ASP HB2 1 181 GLU H 4.000 . 4.000 2.979 2.057 4.027 0.027 15 0 "[ . 1 . 2 . 3]" 1 1914 1 180 ASP H 1 181 GLU H 3.000 . 3.000 2.784 2.475 3.005 0.005 14 0 "[ . 1 . 2 . 3]" 1 1915 1 180 ASP H 1 182 HIS H 5.000 . 5.000 4.388 4.045 4.850 . 0 0 "[ . 1 . 2 . 3]" 1 1916 1 181 GLU HA 1 181 GLU HG3 3.000 . 3.000 2.727 2.343 3.016 0.016 11 0 "[ . 1 . 2 . 3]" 1 1917 1 181 GLU HA 1 181 GLU HG2 3.000 . 3.000 2.525 2.345 2.927 . 0 0 "[ . 1 . 2 . 3]" 1 1918 1 181 GLU HA 1 182 HIS H 5.000 . 5.000 3.573 3.556 3.587 . 0 0 "[ . 1 . 2 . 3]" 1 1919 1 181 GLU HA 1 184 GLN H 5.000 . 5.000 3.626 3.344 4.263 . 0 0 "[ . 1 . 2 . 3]" 1 1920 1 181 GLU H 1 181 GLU HB3 4.000 . 4.000 3.571 3.512 3.607 . 0 0 "[ . 1 . 2 . 3]" 1 1921 1 181 GLU H 1 181 GLU HB2 4.000 . 4.000 2.381 2.208 2.555 . 0 0 "[ . 1 . 2 . 3]" 1 1922 1 181 GLU HB3 1 182 HIS H 4.000 . 4.000 3.183 2.956 3.454 . 0 0 "[ . 1 . 2 . 3]" 1 1923 1 181 GLU HB2 1 182 HIS H 4.000 . 4.000 2.362 2.152 2.576 . 0 0 "[ . 1 . 2 . 3]" 1 1924 1 181 GLU H 1 181 GLU HG3 4.000 . 4.000 2.377 1.970 2.767 . 0 0 "[ . 1 . 2 . 3]" 1 1925 1 181 GLU H 1 181 GLU HG2 4.000 . 4.000 3.670 3.239 4.000 0.000 4 0 "[ . 1 . 2 . 3]" 1 1926 1 181 GLU HG3 1 182 HIS H 5.000 . 5.000 4.384 4.117 4.618 . 0 0 "[ . 1 . 2 . 3]" 1 1927 1 181 GLU HG2 1 182 HIS H 5.000 . 5.000 4.888 4.772 5.002 0.002 14 0 "[ . 1 . 2 . 3]" 1 1928 1 181 GLU H 1 182 HIS H 3.000 . 3.000 2.861 2.546 2.994 . 0 0 "[ . 1 . 2 . 3]" 1 1929 1 181 GLU H 1 183 SER H 5.000 . 5.000 4.260 3.583 4.723 . 0 0 "[ . 1 . 2 . 3]" 1 1930 1 182 HIS H 1 182 HIS HA 3.000 . 3.000 2.775 2.710 2.858 . 0 0 "[ . 1 . 2 . 3]" 1 1931 1 182 HIS HA 1 183 SER H 5.000 . 5.000 3.557 3.483 3.575 . 0 0 "[ . 1 . 2 . 3]" 1 1932 1 182 HIS HA 1 185 ALA H 5.000 . 5.000 3.445 3.207 4.020 . 0 0 "[ . 1 . 2 . 3]" 1 1933 1 182 HIS H 1 182 HIS HB3 4.000 . 4.000 3.366 2.193 3.606 . 0 0 "[ . 1 . 2 . 3]" 1 1934 1 182 HIS H 1 182 HIS HB2 4.000 . 4.000 2.601 2.277 3.579 . 0 0 "[ . 1 . 2 . 3]" 1 1935 1 182 HIS QB 1 183 SER H 5.000 . 5.000 2.547 2.131 3.542 . 0 0 "[ . 1 . 2 . 3]" 1 1936 1 182 HIS H 1 182 HIS HD2 5.000 . 5.000 3.301 2.570 4.808 . 0 0 "[ . 1 . 2 . 3]" 1 1937 1 182 HIS H 1 183 SER H 3.000 . 3.000 2.876 2.535 3.009 0.009 4 0 "[ . 1 . 2 . 3]" 1 1938 1 182 HIS H 1 184 GLN H 5.000 . 5.000 4.292 3.989 4.653 . 0 0 "[ . 1 . 2 . 3]" 1 1939 1 183 SER HA 1 184 GLN H 5.000 . 5.000 3.551 3.506 3.588 . 0 0 "[ . 1 . 2 . 3]" 1 1940 1 183 SER HA 1 186 LEU H 5.000 . 5.000 3.776 3.467 4.115 . 0 0 "[ . 1 . 2 . 3]" 1 1941 1 183 SER QB 1 184 GLN H 5.000 . 5.000 2.841 2.182 3.503 . 0 0 "[ . 1 . 2 . 3]" 1 1942 1 183 SER H 1 184 GLN H 3.000 . 3.000 2.802 2.613 2.914 . 0 0 "[ . 1 . 2 . 3]" 1 1943 1 183 SER H 1 185 ALA H 5.000 . 5.000 4.137 3.699 4.772 . 0 0 "[ . 1 . 2 . 3]" 1 1944 1 184 GLN HA 1 184 GLN HG3 4.000 . 4.000 3.018 2.338 3.697 . 0 0 "[ . 1 . 2 . 3]" 1 1945 1 184 GLN HA 1 184 GLN HG2 4.000 . 4.000 2.670 2.344 3.615 . 0 0 "[ . 1 . 2 . 3]" 1 1946 1 184 GLN H 1 184 GLN HA 3.000 . 3.000 2.815 2.761 2.869 . 0 0 "[ . 1 . 2 . 3]" 1 1947 1 184 GLN HA 1 185 ALA H 5.000 . 5.000 3.523 3.454 3.574 . 0 0 "[ . 1 . 2 . 3]" 1 1948 1 184 GLN HA 1 187 SER H 5.000 . 5.000 4.007 3.509 4.440 . 0 0 "[ . 1 . 2 . 3]" 1 1949 1 184 GLN H 1 184 GLN HB3 4.000 . 4.000 3.167 2.398 3.589 . 0 0 "[ . 1 . 2 . 3]" 1 1950 1 184 GLN H 1 184 GLN HB2 4.000 . 4.000 2.325 2.075 2.682 . 0 0 "[ . 1 . 2 . 3]" 1 1951 1 184 GLN HB3 1 185 ALA H 5.000 . 5.000 3.132 2.162 3.914 . 0 0 "[ . 1 . 2 . 3]" 1 1952 1 184 GLN HB2 1 185 ALA H 5.000 . 5.000 3.279 2.321 4.047 . 0 0 "[ . 1 . 2 . 3]" 1 1953 1 184 GLN H 1 184 GLN QG 4.000 . 4.000 3.189 2.091 4.007 0.007 8 0 "[ . 1 . 2 . 3]" 1 1954 1 184 GLN HG3 1 185 ALA H 6.000 . 6.000 4.860 4.165 5.307 . 0 0 "[ . 1 . 2 . 3]" 1 1955 1 184 GLN HG2 1 185 ALA H 6.000 . 6.000 4.528 3.509 5.215 . 0 0 "[ . 1 . 2 . 3]" 1 1956 1 184 GLN H 1 185 ALA MB 5.000 . 5.500 4.281 4.134 4.441 . 0 0 "[ . 1 . 2 . 3]" 1 1957 1 184 GLN H 1 185 ALA H 3.000 . 3.000 2.676 2.554 2.875 . 0 0 "[ . 1 . 2 . 3]" 1 1958 1 184 GLN H 1 186 LEU H 5.000 . 5.000 4.630 4.279 4.888 . 0 0 "[ . 1 . 2 . 3]" 1 1959 1 185 ALA H 1 185 ALA HA 3.000 . 3.000 2.833 2.738 2.888 . 0 0 "[ . 1 . 2 . 3]" 1 1960 1 185 ALA HA 1 186 LEU H 5.000 . 5.000 3.573 3.562 3.577 . 0 0 "[ . 1 . 2 . 3]" 1 1961 1 185 ALA HA 1 188 GLY H 5.000 . 5.000 3.739 3.243 4.097 . 0 0 "[ . 1 . 2 . 3]" 1 1962 1 185 ALA H 1 185 ALA MB 3.000 . 3.500 2.115 2.032 2.258 . 0 0 "[ . 1 . 2 . 3]" 1 1963 1 185 ALA MB 1 186 LEU H 4.000 . 4.500 2.209 1.975 2.460 . 0 0 "[ . 1 . 2 . 3]" 1 1964 1 185 ALA H 1 186 LEU H 3.000 . 3.000 2.837 2.677 3.004 0.004 3 0 "[ . 1 . 2 . 3]" 1 1965 1 185 ALA H 1 187 SER H 5.000 . 5.000 4.221 3.894 4.608 . 0 0 "[ . 1 . 2 . 3]" 1 1966 1 186 LEU HA 1 186 LEU QD 4.000 . 4.500 2.218 1.966 2.525 . 0 0 "[ . 1 . 2 . 3]" 1 1967 1 186 LEU HA 1 187 SER H 5.000 . 5.000 3.569 3.545 3.576 . 0 0 "[ . 1 . 2 . 3]" 1 1968 1 186 LEU HA 1 189 ARG H 5.000 . 5.000 3.493 3.219 3.822 . 0 0 "[ . 1 . 2 . 3]" 1 1969 1 186 LEU QB 1 187 SER H 4.000 . 4.000 2.302 2.081 2.562 . 0 0 "[ . 1 . 2 . 3]" 1 1970 1 186 LEU H 1 186 LEU MD1 5.000 . 5.500 3.057 1.793 3.761 0.007 8 0 "[ . 1 . 2 . 3]" 1 1971 1 186 LEU H 1 186 LEU MD2 5.000 . 5.500 3.235 1.765 4.037 0.035 22 0 "[ . 1 . 2 . 3]" 1 1972 1 186 LEU QD 1 187 SER H 5.000 . 5.500 3.801 3.667 4.017 . 0 0 "[ . 1 . 2 . 3]" 1 1973 1 186 LEU H 1 186 LEU HG 4.000 . 4.000 2.382 1.810 3.946 . 0 0 "[ . 1 . 2 . 3]" 1 1974 1 186 LEU HG 1 187 SER H 6.000 . 6.000 4.270 3.745 4.998 . 0 0 "[ . 1 . 2 . 3]" 1 1975 1 186 LEU H 1 187 SER H 3.000 . 3.000 2.857 2.685 2.961 . 0 0 "[ . 1 . 2 . 3]" 1 1976 1 186 LEU H 1 188 GLY H 5.000 . 5.000 4.097 3.828 4.475 . 0 0 "[ . 1 . 2 . 3]" 1 1977 1 187 SER H 1 187 SER HA 3.000 . 3.000 2.779 2.732 2.847 . 0 0 "[ . 1 . 2 . 3]" 1 1978 1 187 SER HA 1 188 GLY H 5.000 . 5.000 3.531 3.467 3.571 . 0 0 "[ . 1 . 2 . 3]" 1 1979 1 187 SER HA 1 190 LEU H 5.000 . 5.000 3.702 3.476 3.974 . 0 0 "[ . 1 . 2 . 3]" 1 1980 1 187 SER H 1 187 SER HB3 4.000 . 4.000 2.904 2.125 3.598 . 0 0 "[ . 1 . 2 . 3]" 1 1981 1 187 SER H 1 187 SER HB2 4.000 . 4.000 2.797 2.079 3.592 . 0 0 "[ . 1 . 2 . 3]" 1 1982 1 187 SER QB 1 188 GLY H 4.000 . 4.000 2.858 2.260 3.540 . 0 0 "[ . 1 . 2 . 3]" 1 1983 1 187 SER H 1 188 GLY H 3.000 . 3.000 2.781 2.564 2.998 . 0 0 "[ . 1 . 2 . 3]" 1 1984 1 187 SER H 1 189 ARG H 5.000 . 5.000 4.357 3.959 4.684 . 0 0 "[ . 1 . 2 . 3]" 1 1985 1 188 GLY H 1 188 GLY HA3 3.000 . 3.000 2.304 2.301 2.311 . 0 0 "[ . 1 . 2 . 3]" 1 1986 1 188 GLY H 1 188 GLY HA2 3.000 . 3.000 2.809 2.745 2.864 . 0 0 "[ . 1 . 2 . 3]" 1 1987 1 188 GLY HA3 1 189 ARG H 5.000 . 5.000 2.789 2.639 3.005 . 0 0 "[ . 1 . 2 . 3]" 1 1988 1 188 GLY HA2 1 189 ARG H 5.000 . 5.000 3.549 3.477 3.575 . 0 0 "[ . 1 . 2 . 3]" 1 1989 1 188 GLY QA 1 191 ARG H 5.000 . 5.000 3.613 3.209 3.896 . 0 0 "[ . 1 . 2 . 3]" 1 1990 1 188 GLY H 1 189 ARG H 3.000 . 3.000 2.739 2.549 2.923 . 0 0 "[ . 1 . 2 . 3]" 1 1991 1 189 ARG H 1 189 ARG HA 3.000 . 3.000 2.805 2.739 2.885 . 0 0 "[ . 1 . 2 . 3]" 1 1992 1 189 ARG HA 1 190 LEU H 5.000 . 5.000 3.573 3.560 3.578 . 0 0 "[ . 1 . 2 . 3]" 1 1993 1 189 ARG QB 1 190 LEU H 5.000 . 5.000 2.255 2.070 2.503 . 0 0 "[ . 1 . 2 . 3]" 1 1994 1 189 ARG H 1 189 ARG QG 5.000 . 5.000 3.399 1.946 4.032 . 0 0 "[ . 1 . 2 . 3]" 1 1995 1 189 ARG H 1 190 LEU H 3.000 . 3.000 2.870 2.699 3.002 0.002 9 0 "[ . 1 . 2 . 3]" 1 1996 1 189 ARG H 1 191 ARG H 5.000 . 5.000 4.207 3.656 4.697 . 0 0 "[ . 1 . 2 . 3]" 1 1997 1 190 LEU H 1 190 LEU HA 3.000 . 3.000 2.775 2.726 2.863 . 0 0 "[ . 1 . 2 . 3]" 1 1998 1 190 LEU HA 1 191 ARG H 5.000 . 5.000 3.549 3.447 3.576 . 0 0 "[ . 1 . 2 . 3]" 1 1999 1 190 LEU H 1 190 LEU HB3 4.000 . 4.000 3.125 2.553 3.493 . 0 0 "[ . 1 . 2 . 3]" 1 2000 1 190 LEU H 1 190 LEU HB2 4.000 . 4.000 2.185 2.067 2.522 . 0 0 "[ . 1 . 2 . 3]" 1 2001 1 190 LEU H 1 190 LEU MD1 5.000 . 5.500 3.771 2.215 4.228 . 0 0 "[ . 1 . 2 . 3]" 1 2002 1 190 LEU H 1 190 LEU MD2 5.000 . 5.500 3.560 1.946 4.393 . 0 0 "[ . 1 . 2 . 3]" 1 2003 1 190 LEU QD 1 191 ARG H 6.000 . 6.500 3.673 2.790 4.239 . 0 0 "[ . 1 . 2 . 3]" 1 2004 1 190 LEU MD2 1 193 ILE MG 5.000 . 5.500 4.258 2.040 5.473 . 0 0 "[ . 1 . 2 . 3]" 1 2005 1 190 LEU MD2 1 193 ILE MD 5.000 . 5.500 4.749 2.299 5.546 0.046 22 0 "[ . 1 . 2 . 3]" 1 2006 1 190 LEU QD 1 194 LEU QD 5.000 . 6.000 2.595 1.866 3.731 . 0 0 "[ . 1 . 2 . 3]" 1 2007 1 190 LEU H 1 191 ARG H 3.000 . 3.000 2.856 2.493 3.017 0.017 23 0 "[ . 1 . 2 . 3]" 1 2008 1 190 LEU H 1 192 ALA H 5.000 . 5.000 4.121 3.811 4.460 . 0 0 "[ . 1 . 2 . 3]" 1 2009 1 191 ARG HA 1 191 ARG HD3 5.000 . 5.000 4.182 2.342 4.782 . 0 0 "[ . 1 . 2 . 3]" 1 2010 1 191 ARG HA 1 191 ARG HD2 5.000 . 5.000 4.176 2.441 4.769 . 0 0 "[ . 1 . 2 . 3]" 1 2011 1 191 ARG HA 1 191 ARG HG3 4.000 . 4.000 2.656 2.345 3.687 . 0 0 "[ . 1 . 2 . 3]" 1 2012 1 191 ARG HA 1 191 ARG HG2 4.000 . 4.000 2.691 2.329 3.576 . 0 0 "[ . 1 . 2 . 3]" 1 2013 1 191 ARG H 1 191 ARG HA 3.000 . 3.000 2.798 2.735 2.890 . 0 0 "[ . 1 . 2 . 3]" 1 2014 1 191 ARG HA 1 192 ALA H 5.000 . 5.000 3.500 3.409 3.565 . 0 0 "[ . 1 . 2 . 3]" 1 2015 1 191 ARG HB3 1 191 ARG HD3 4.000 . 4.000 3.093 2.351 3.812 . 0 0 "[ . 1 . 2 . 3]" 1 2016 1 191 ARG HB3 1 191 ARG HD2 4.000 . 4.000 2.939 2.347 3.950 . 0 0 "[ . 1 . 2 . 3]" 1 2017 1 191 ARG H 1 191 ARG HB3 4.000 . 4.000 3.145 2.437 3.598 . 0 0 "[ . 1 . 2 . 3]" 1 2018 1 191 ARG H 1 191 ARG HB2 4.000 . 4.000 2.300 2.078 2.633 . 0 0 "[ . 1 . 2 . 3]" 1 2019 1 191 ARG HB3 1 192 ALA H 4.000 . 4.000 3.159 2.374 4.019 0.019 14 0 "[ . 1 . 2 . 3]" 1 2020 1 191 ARG HB2 1 192 ALA H 4.000 . 4.000 3.401 2.585 4.004 0.004 8 0 "[ . 1 . 2 . 3]" 1 2021 1 191 ARG H 1 191 ARG QD 6.000 . 6.000 4.253 2.117 4.970 . 0 0 "[ . 1 . 2 . 3]" 1 2022 1 191 ARG QD 1 192 ALA H 6.000 . 6.000 5.015 4.230 5.661 . 0 0 "[ . 1 . 2 . 3]" 1 2023 1 191 ARG H 1 191 ARG QG 4.000 . 4.000 3.304 2.150 3.979 . 0 0 "[ . 1 . 2 . 3]" 1 2024 1 191 ARG HG3 1 192 ALA H 5.000 . 5.500 4.853 4.202 5.297 . 0 0 "[ . 1 . 2 . 3]" 1 2025 1 191 ARG HG2 1 192 ALA H 5.000 . 5.500 4.590 3.608 5.279 . 0 0 "[ . 1 . 2 . 3]" 1 2026 1 191 ARG H 1 192 ALA MB 5.000 . 5.500 4.302 3.971 4.549 . 0 0 "[ . 1 . 2 . 3]" 1 2027 1 191 ARG H 1 192 ALA H 3.000 . 3.000 2.705 2.401 2.955 . 0 0 "[ . 1 . 2 . 3]" 1 2028 1 191 ARG H 1 193 ILE H 5.000 . 5.000 4.431 4.189 4.724 . 0 0 "[ . 1 . 2 . 3]" 1 2029 1 192 ALA H 1 192 ALA HA 3.000 . 3.000 2.835 2.746 2.936 . 0 0 "[ . 1 . 2 . 3]" 1 2030 1 192 ALA HA 1 193 ILE H 5.000 . 5.000 3.559 3.515 3.576 . 0 0 "[ . 1 . 2 . 3]" 1 2031 1 192 ALA HA 1 195 GLN H 5.000 . 5.000 3.635 3.251 4.255 . 0 0 "[ . 1 . 2 . 3]" 1 2032 1 192 ALA H 1 192 ALA MB 3.000 . 3.500 2.131 2.028 2.302 . 0 0 "[ . 1 . 2 . 3]" 1 2033 1 192 ALA MB 1 193 ILE H 4.000 . 4.500 2.445 2.203 2.800 . 0 0 "[ . 1 . 2 . 3]" 1 2034 1 192 ALA MB 1 195 GLN H 6.000 . 6.500 4.523 4.261 4.970 . 0 0 "[ . 1 . 2 . 3]" 1 2035 1 192 ALA H 1 193 ILE HB 5.000 . 5.000 4.730 4.311 5.005 0.005 9 0 "[ . 1 . 2 . 3]" 1 2036 1 192 ALA H 1 193 ILE MG 6.000 . 6.500 5.238 3.427 6.008 . 0 0 "[ . 1 . 2 . 3]" 1 2037 1 192 ALA H 1 193 ILE MD 6.000 . 6.500 4.659 3.557 6.337 . 0 0 "[ . 1 . 2 . 3]" 1 2038 1 192 ALA H 1 193 ILE H 3.000 . 3.000 2.680 2.345 2.975 . 0 0 "[ . 1 . 2 . 3]" 1 2039 1 192 ALA H 1 194 LEU H 5.000 . 5.000 4.009 3.449 4.624 . 0 0 "[ . 1 . 2 . 3]" 1 2040 1 193 ILE HB 1 194 LEU H 4.000 . 4.000 3.026 2.123 3.917 . 0 0 "[ . 1 . 2 . 3]" 1 2041 1 193 ILE H 1 193 ILE MD 5.000 . 5.500 2.821 1.803 4.361 . 0 0 "[ . 1 . 2 . 3]" 1 2042 1 193 ILE MD 1 194 LEU MD2 6.000 . 7.000 6.005 4.187 6.871 . 0 0 "[ . 1 . 2 . 3]" 1 2043 1 193 ILE MD 1 194 LEU H 6.000 . 6.500 4.239 3.867 4.912 . 0 0 "[ . 1 . 2 . 3]" 1 2044 1 193 ILE QG 1 194 LEU H 5.000 . 5.000 4.286 3.438 4.651 . 0 0 "[ . 1 . 2 . 3]" 1 2045 1 193 ILE MG 1 194 LEU QD 5.000 . 6.000 2.990 2.128 3.905 . 0 0 "[ . 1 . 2 . 3]" 1 2046 1 193 ILE MG 1 194 LEU H 5.000 . 5.500 2.759 1.792 3.558 0.008 25 0 "[ . 1 . 2 . 3]" 1 2047 1 193 ILE H 1 194 LEU H 3.000 . 3.000 2.656 2.234 2.962 . 0 0 "[ . 1 . 2 . 3]" 1 2048 1 194 LEU HA 1 194 LEU QD 4.000 . 4.500 2.210 1.933 2.455 . 0 0 "[ . 1 . 2 . 3]" 1 2049 1 194 LEU HA 1 195 GLN H 5.000 . 5.000 3.377 3.094 3.524 . 0 0 "[ . 1 . 2 . 3]" 1 2050 1 194 LEU HB3 1 195 GLN H 5.000 . 5.000 3.641 3.031 4.429 . 0 0 "[ . 1 . 2 . 3]" 1 2051 1 194 LEU HB2 1 195 GLN H 5.000 . 5.000 3.519 2.709 4.381 . 0 0 "[ . 1 . 2 . 3]" 1 2052 1 194 LEU H 1 194 LEU QD 4.000 . 4.500 3.042 1.900 3.741 . 0 0 "[ . 1 . 2 . 3]" 1 2053 1 194 LEU QD 1 195 GLN H 6.000 . 6.500 4.185 3.876 4.502 . 0 0 "[ . 1 . 2 . 3]" 1 2054 1 194 LEU H 1 194 LEU HG 5.000 . 5.000 3.640 1.809 4.481 . 0 0 "[ . 1 . 2 . 3]" 1 2055 1 194 LEU H 1 195 GLN H 3.000 . 3.000 2.581 2.230 2.804 . 0 0 "[ . 1 . 2 . 3]" 1 2056 1 195 GLN HA 1 195 GLN HE21 5.000 . 5.000 3.316 1.816 4.897 . 0 0 "[ . 1 . 2 . 3]" 1 2057 1 195 GLN HA 1 195 GLN HE22 5.000 . 5.000 3.976 3.168 5.019 0.019 12 0 "[ . 1 . 2 . 3]" 1 2058 1 195 GLN HA 1 195 GLN QG 4.000 . 4.000 2.474 2.300 3.493 . 0 0 "[ . 1 . 2 . 3]" 1 2059 1 195 GLN HA 1 196 ASN H 4.000 . 4.000 2.877 2.175 3.574 . 0 0 "[ . 1 . 2 . 3]" 1 2060 1 195 GLN QB 1 195 GLN HE22 5.000 . 5.000 3.925 3.182 4.386 . 0 0 "[ . 1 . 2 . 3]" 1 2061 1 195 GLN QB 1 196 ASN H 5.000 . 5.000 3.129 1.801 4.030 . 0 0 "[ . 1 . 2 . 3]" 1 2062 1 195 GLN H 1 195 GLN QG 4.000 . 4.000 3.385 2.357 4.124 0.124 19 0 "[ . 1 . 2 . 3]" 1 2063 1 195 GLN QG 1 196 ASN H 5.000 . 5.000 4.119 2.914 4.864 . 0 0 "[ . 1 . 2 . 3]" 1 2064 1 195 GLN H 1 196 ASN H 4.000 . 4.000 3.528 2.608 4.107 0.107 15 0 "[ . 1 . 2 . 3]" 1 2065 1 196 ASN H 1 196 ASN HB3 4.000 . 4.000 3.241 2.341 4.002 0.002 26 0 "[ . 1 . 2 . 3]" 1 2066 1 196 ASN H 1 196 ASN HB2 4.000 . 4.000 3.083 2.196 3.962 . 0 0 "[ . 1 . 2 . 3]" 1 2067 1 196 ASN HB3 1 197 GLN H 5.000 . 5.000 3.527 1.873 4.638 . 0 0 "[ . 1 . 2 . 3]" 1 2068 1 196 ASN HB2 1 197 GLN H 5.000 . 5.000 3.667 2.022 4.662 . 0 0 "[ . 1 . 2 . 3]" 1 2069 1 196 ASN H 1 196 ASN HD21 6.000 . 6.000 4.461 2.012 5.644 . 0 0 "[ . 1 . 2 . 3]" 1 2070 1 196 ASN HD22 1 197 GLN H 6.000 . 6.000 4.731 2.445 5.993 . 0 0 "[ . 1 . 2 . 3]" 1 2071 1 196 ASN H 1 197 GLN H 6.000 . 6.000 3.847 2.210 4.646 . 0 0 "[ . 1 . 2 . 3]" 1 2072 1 197 GLN HA 1 197 GLN QG 4.000 . 4.000 2.441 2.143 3.297 . 0 0 "[ . 1 . 2 . 3]" 1 2073 1 197 GLN HA 1 198 GLY H 4.000 . 4.000 2.792 2.146 3.575 . 0 0 "[ . 1 . 2 . 3]" 1 2074 1 197 GLN H 1 197 GLN HB3 4.000 . 4.000 3.434 2.395 4.004 0.004 15 0 "[ . 1 . 2 . 3]" 1 2075 1 197 GLN H 1 197 GLN HB2 4.000 . 4.000 2.820 2.130 3.884 . 0 0 "[ . 1 . 2 . 3]" 1 2076 1 197 GLN HB3 1 198 GLY H 5.000 . 5.000 3.239 1.970 4.417 . 0 0 "[ . 1 . 2 . 3]" 1 2077 1 197 GLN HB2 1 198 GLY H 5.000 . 5.000 3.611 2.017 4.648 . 0 0 "[ . 1 . 2 . 3]" 1 2078 1 197 GLN H 1 197 GLN QG 5.000 . 5.000 3.269 1.840 4.242 . 0 0 "[ . 1 . 2 . 3]" 1 2079 1 197 GLN QG 1 198 GLY H 5.000 . 5.000 3.608 1.825 4.809 . 0 0 "[ . 1 . 2 . 3]" 1 2080 1 198 GLY HA3 1 199 ASN H 4.000 . 4.000 2.953 2.150 3.574 . 0 0 "[ . 1 . 2 . 3]" 1 2081 1 198 GLY HA2 1 199 ASN H 4.000 . 4.000 3.015 2.159 3.574 . 0 0 "[ . 1 . 2 . 3]" 1 2082 1 199 ASN HB3 1 199 ASN HD22 4.000 . 5.000 3.763 3.509 4.117 . 0 0 "[ . 1 . 2 . 3]" 1 2083 1 199 ASN HB2 1 199 ASN HD22 4.000 . 5.000 3.784 3.510 4.103 . 0 0 "[ . 1 . 2 . 3]" 1 stop_ save_ save_distance_constraint_statistics_2 _Distance_constraint_stats_list.Sf_category distance_constraint_statistics _Distance_constraint_stats_list.Constraint_list_ID 2 _Distance_constraint_stats_list.Constraint_count 152 _Distance_constraint_stats_list.Viol_count 1247 _Distance_constraint_stats_list.Viol_total 1066.642 _Distance_constraint_stats_list.Viol_max 0.162 _Distance_constraint_stats_list.Viol_rms 0.0201 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0078 _Distance_constraint_stats_list.Viol_average_violations_only 0.0285 _Distance_constraint_stats_list.Cutoff_violation_report 0.500 _Distance_constraint_stats_list.Details . loop_ _Distance_constraint_stats_per_res.Atom_entity_assembly_ID _Distance_constraint_stats_per_res.Atom_comp_index_ID _Distance_constraint_stats_per_res.Atom_comp_ID _Distance_constraint_stats_per_res.Total_violation _Distance_constraint_stats_per_res.Max_violation _Distance_constraint_stats_per_res.Max_violation_model_number _Distance_constraint_stats_per_res.Over_cutoff_viol_count _Distance_constraint_stats_per_res.Over_cutoff_viol_per_model 1 15 PRO 0.051 0.021 11 0 "[ . 1 . 2 . 3]" 1 16 HIS 0.346 0.032 5 0 "[ . 1 . 2 . 3]" 1 17 ILE 0.226 0.036 11 0 "[ . 1 . 2 . 3]" 1 18 PHE 0.084 0.014 1 0 "[ . 1 . 2 . 3]" 1 19 THR 0.051 0.021 11 0 "[ . 1 . 2 . 3]" 1 20 SER 0.346 0.032 5 0 "[ . 1 . 2 . 3]" 1 21 ASN 0.226 0.036 11 0 "[ . 1 . 2 . 3]" 1 22 PHE 0.084 0.014 1 0 "[ . 1 . 2 . 3]" 1 31 THR 0.920 0.102 2 0 "[ . 1 . 2 . 3]" 1 32 TYR 2.729 0.130 9 0 "[ . 1 . 2 . 3]" 1 33 LEU 0.068 0.011 25 0 "[ . 1 . 2 . 3]" 1 34 CYS 0.195 0.050 18 0 "[ . 1 . 2 . 3]" 1 35 TYR 0.740 0.078 9 0 "[ . 1 . 2 . 3]" 1 36 GLU 0.488 0.082 9 0 "[ . 1 . 2 . 3]" 1 37 VAL 1.058 0.084 29 0 "[ . 1 . 2 . 3]" 1 38 GLU 1.029 0.076 29 0 "[ . 1 . 2 . 3]" 1 39 ARG 0.198 0.062 5 0 "[ . 1 . 2 . 3]" 1 40 LEU 1.073 0.071 18 0 "[ . 1 . 2 . 3]" 1 41 ASP 0.078 0.016 8 0 "[ . 1 . 2 . 3]" 1 44 THR 0.078 0.016 8 0 "[ . 1 . 2 . 3]" 1 46 VAL 0.198 0.062 5 0 "[ . 1 . 2 . 3]" 1 48 MET 1.058 0.084 29 0 "[ . 1 . 2 . 3]" 1 53 GLY 0.740 0.078 9 0 "[ . 1 . 2 . 3]" 1 55 LEU 0.068 0.011 25 0 "[ . 1 . 2 . 3]" 1 57 ASN 0.920 0.102 2 0 "[ . 1 . 2 . 3]" 1 71 ALA 0.107 0.018 2 0 "[ . 1 . 2 . 3]" 1 72 GLU 0.131 0.031 19 0 "[ . 1 . 2 . 3]" 1 73 LEU 0.480 0.094 15 0 "[ . 1 . 2 . 3]" 1 75 PHE 0.672 0.081 8 0 "[ . 1 . 2 . 3]" 1 76 LEU 0.131 0.031 19 0 "[ . 1 . 2 . 3]" 1 77 ASP 0.480 0.094 15 0 "[ . 1 . 2 . 3]" 1 78 LEU 0.710 0.081 8 0 "[ . 1 . 2 . 3]" 1 79 VAL 0.415 0.066 5 0 "[ . 1 . 2 . 3]" 1 81 SER 0.144 0.030 30 0 "[ . 1 . 2 . 3]" 1 82 LEU 0.415 0.066 5 0 "[ . 1 . 2 . 3]" 1 89 ILE 1.073 0.071 18 0 "[ . 1 . 2 . 3]" 1 90 TYR 1.564 0.125 15 0 "[ . 1 . 2 . 3]" 1 91 ARG 1.029 0.076 29 0 "[ . 1 . 2 . 3]" 1 92 VAL 0.749 0.125 5 0 "[ . 1 . 2 . 3]" 1 93 THR 0.488 0.082 9 0 "[ . 1 . 2 . 3]" 1 94 TRP 2.904 0.162 11 0 "[ . 1 . 2 . 3]" 1 95 PHE 0.195 0.050 18 0 "[ . 1 . 2 . 3]" 1 96 ILE 2.098 0.092 2 0 "[ . 1 . 2 . 3]" 1 97 SER 2.729 0.130 9 0 "[ . 1 . 2 . 3]" 1 105 GLY 2.793 0.151 27 0 "[ . 1 . 2 . 3]" 1 106 CYS 0.220 0.040 24 0 "[ . 1 . 2 . 3]" 1 107 ALA 0.774 0.063 19 0 "[ . 1 . 2 . 3]" 1 108 GLY 0.002 0.002 24 0 "[ . 1 . 2 . 3]" 1 109 GLU 3.408 0.151 27 0 "[ . 1 . 2 . 3]" 1 110 VAL 0.403 0.086 22 0 "[ . 1 . 2 . 3]" 1 111 ARG 1.244 0.101 2 0 "[ . 1 . 2 . 3]" 1 112 ALA 0.550 0.063 17 0 "[ . 1 . 2 . 3]" 1 113 PHE 0.615 0.059 22 0 "[ . 1 . 2 . 3]" 1 114 LEU 5.539 0.146 2 0 "[ . 1 . 2 . 3]" 1 115 GLN 0.469 0.101 2 0 "[ . 1 . 2 . 3]" 1 116 GLU 0.548 0.063 17 0 "[ . 1 . 2 . 3]" 1 118 THR 5.357 0.146 2 0 "[ . 1 . 2 . 3]" 1 119 HIS 1.392 0.125 15 0 "[ . 1 . 2 . 3]" 1 121 ARG 0.276 0.088 5 0 "[ . 1 . 2 . 3]" 1 122 LEU 0.404 0.039 4 0 "[ . 1 . 2 . 3]" 1 123 ARG 0.838 0.125 5 0 "[ . 1 . 2 . 3]" 1 124 ILE 0.614 0.058 3 0 "[ . 1 . 2 . 3]" 1 125 PHE 2.766 0.162 11 0 "[ . 1 . 2 . 3]" 1 126 ALA 0.595 0.038 23 0 "[ . 1 . 2 . 3]" 1 127 ALA 2.044 0.092 2 0 "[ . 1 . 2 . 3]" 1 135 LEU 0.299 0.043 26 0 "[ . 1 . 2 . 3]" 1 136 TYR 0.132 0.024 4 0 "[ . 1 . 2 . 3]" 1 137 LYS 0.530 0.050 20 0 "[ . 1 . 2 . 3]" 1 138 GLU 0.163 0.021 4 0 "[ . 1 . 2 . 3]" 1 139 ALA 0.373 0.043 26 0 "[ . 1 . 2 . 3]" 1 140 LEU 0.269 0.037 9 0 "[ . 1 . 2 . 3]" 1 141 GLN 0.607 0.050 20 0 "[ . 1 . 2 . 3]" 1 142 MET 0.163 0.021 4 0 "[ . 1 . 2 . 3]" 1 143 LEU 0.074 0.020 24 0 "[ . 1 . 2 . 3]" 1 144 ARG 0.137 0.037 9 0 "[ . 1 . 2 . 3]" 1 145 ASP 0.078 0.022 10 0 "[ . 1 . 2 . 3]" 1 149 GLN 0.489 0.039 4 0 "[ . 1 . 2 . 3]" 1 151 SER 0.718 0.058 3 0 "[ . 1 . 2 . 3]" 1 153 MET 0.405 0.038 23 0 "[ . 1 . 2 . 3]" 1 155 TYR 0.186 0.086 12 0 "[ . 1 . 2 . 3]" 1 156 ASP 0.444 0.044 6 0 "[ . 1 . 2 . 3]" 1 157 GLU 0.294 0.047 23 0 "[ . 1 . 2 . 3]" 1 158 PHE 0.478 0.089 24 0 "[ . 1 . 2 . 3]" 1 159 LYS 0.616 0.101 12 0 "[ . 1 . 2 . 3]" 1 160 HIS 0.450 0.044 6 0 "[ . 1 . 2 . 3]" 1 161 CYS 0.294 0.047 23 0 "[ . 1 . 2 . 3]" 1 162 TRP 0.478 0.089 24 0 "[ . 1 . 2 . 3]" 1 163 ASP 0.430 0.101 12 0 "[ . 1 . 2 . 3]" 1 164 THR 0.007 0.006 24 0 "[ . 1 . 2 . 3]" 1 178 GLY 0.087 0.014 29 0 "[ . 1 . 2 . 3]" 1 179 LEU 0.286 0.043 9 0 "[ . 1 . 2 . 3]" 1 180 ASP 0.137 0.075 11 0 "[ . 1 . 2 . 3]" 1 181 GLU 0.068 0.038 11 0 "[ . 1 . 2 . 3]" 1 182 HIS 0.181 0.030 11 0 "[ . 1 . 2 . 3]" 1 183 SER 0.337 0.043 9 0 "[ . 1 . 2 . 3]" 1 184 GLN 0.175 0.075 11 0 "[ . 1 . 2 . 3]" 1 185 ALA 0.163 0.038 11 0 "[ . 1 . 2 . 3]" 1 186 LEU 0.260 0.051 21 0 "[ . 1 . 2 . 3]" 1 187 SER 0.055 0.010 11 0 "[ . 1 . 2 . 3]" 1 188 GLY 0.092 0.014 15 0 "[ . 1 . 2 . 3]" 1 189 ARG 0.269 0.044 22 0 "[ . 1 . 2 . 3]" 1 190 LEU 0.200 0.051 21 0 "[ . 1 . 2 . 3]" 1 191 ARG 0.004 0.002 8 0 "[ . 1 . 2 . 3]" 1 192 ALA 0.054 0.013 11 0 "[ . 1 . 2 . 3]" 1 193 ILE 0.174 0.044 22 0 "[ . 1 . 2 . 3]" 1 194 LEU 0.033 0.013 4 0 "[ . 1 . 2 . 3]" stop_ loop_ _Distance_constraint_stats.Restraint_ID _Distance_constraint_stats.Atom_1_entity_assembly_ID _Distance_constraint_stats.Atom_1_comp_index_ID _Distance_constraint_stats.Atom_1_comp_ID _Distance_constraint_stats.Atom_1_ID _Distance_constraint_stats.Atom_2_entity_assembly_ID _Distance_constraint_stats.Atom_2_comp_index_ID _Distance_constraint_stats.Atom_2_comp_ID _Distance_constraint_stats.Atom_2_ID _Distance_constraint_stats.Node_1_distance_val _Distance_constraint_stats.Node_1_distance_lower_bound_val _Distance_constraint_stats.Node_1_distance_upper_bound_val _Distance_constraint_stats.Distance_average _Distance_constraint_stats.Distance_minimum _Distance_constraint_stats.Distance_maximum _Distance_constraint_stats.Max_violation _Distance_constraint_stats.Max_violation_model_number _Distance_constraint_stats.Over_cutoff_violation_count _Distance_constraint_stats.Over_cutoff_viol_per_model _Distance_constraint_stats.Distance_constraint_stats_ID 1 1 41 ASP O 1 44 THR H 2.000 . 2.300 1.961 1.802 2.258 . 0 0 "[ . 1 . 2 . 3]" 2 2 1 41 ASP O 1 44 THR N 3.000 2.700 3.300 2.779 2.690 3.042 0.010 5 0 "[ . 1 . 2 . 3]" 2 3 1 41 ASP H 1 44 THR O 2.000 . 2.300 2.066 1.784 2.293 0.016 8 0 "[ . 1 . 2 . 3]" 2 4 1 41 ASP N 1 44 THR O 3.000 2.700 3.300 2.891 2.695 3.186 0.005 15 0 "[ . 1 . 2 . 3]" 2 5 1 39 ARG O 1 46 VAL H 2.000 . 2.300 2.082 1.848 2.313 0.013 15 0 "[ . 1 . 2 . 3]" 2 6 1 39 ARG O 1 46 VAL N 3.000 2.700 3.300 3.010 2.766 3.264 . 0 0 "[ . 1 . 2 . 3]" 2 7 1 39 ARG H 1 46 VAL O 2.000 . 2.300 2.271 1.996 2.362 0.062 5 0 "[ . 1 . 2 . 3]" 2 8 1 39 ARG N 1 46 VAL O 3.000 2.700 3.300 3.117 2.934 3.277 . 0 0 "[ . 1 . 2 . 3]" 2 9 1 37 VAL O 1 48 MET H 2.000 . 2.300 2.330 2.300 2.384 0.084 29 0 "[ . 1 . 2 . 3]" 2 10 1 37 VAL O 1 48 MET N 3.000 2.700 3.300 3.275 3.166 3.341 0.041 24 0 "[ . 1 . 2 . 3]" 2 11 1 35 TYR O 1 53 GLY H 2.000 . 2.300 2.317 2.213 2.378 0.078 9 0 "[ . 1 . 2 . 3]" 2 12 1 35 TYR O 1 53 GLY N 3.000 2.700 3.300 3.283 3.164 3.342 0.042 9 0 "[ . 1 . 2 . 3]" 2 13 1 35 TYR H 1 53 GLY O 2.000 . 2.300 2.175 1.930 2.304 0.004 12 0 "[ . 1 . 2 . 3]" 2 14 1 35 TYR N 1 53 GLY O 3.000 2.700 3.300 3.045 2.900 3.239 . 0 0 "[ . 1 . 2 . 3]" 2 15 1 33 LEU O 1 55 LEU H 2.000 . 2.300 1.976 1.824 2.310 0.010 10 0 "[ . 1 . 2 . 3]" 2 16 1 33 LEU O 1 55 LEU N 3.000 2.700 3.300 2.909 2.751 3.279 . 0 0 "[ . 1 . 2 . 3]" 2 17 1 33 LEU H 1 55 LEU O 2.000 . 2.300 2.087 1.817 2.310 0.010 4 0 "[ . 1 . 2 . 3]" 2 18 1 33 LEU N 1 55 LEU O 3.000 2.700 3.300 2.972 2.689 3.272 0.011 25 0 "[ . 1 . 2 . 3]" 2 19 1 31 THR O 1 57 ASN H 2.000 . 2.300 2.318 2.145 2.402 0.102 2 0 "[ . 1 . 2 . 3]" 2 20 1 31 THR O 1 57 ASN N 3.000 2.700 3.300 3.227 3.055 3.307 0.007 2 0 "[ . 1 . 2 . 3]" 2 21 1 40 LEU H 1 89 ILE O 2.000 . 2.300 2.331 2.303 2.371 0.071 18 0 "[ . 1 . 2 . 3]" 2 22 1 40 LEU N 1 89 ILE O 3.000 2.700 3.300 3.293 3.233 3.324 0.024 2 0 "[ . 1 . 2 . 3]" 2 23 1 38 GLU O 1 91 ARG H 2.000 . 2.300 2.041 1.741 2.311 0.059 15 0 "[ . 1 . 2 . 3]" 2 24 1 38 GLU O 1 91 ARG N 3.000 2.700 3.300 2.742 2.624 2.948 0.076 29 0 "[ . 1 . 2 . 3]" 2 25 1 38 GLU H 1 91 ARG O 2.000 . 2.300 2.289 2.067 2.355 0.055 15 0 "[ . 1 . 2 . 3]" 2 26 1 38 GLU N 1 91 ARG O 3.000 2.700 3.300 3.070 2.773 3.240 . 0 0 "[ . 1 . 2 . 3]" 2 27 1 36 GLU O 1 93 THR H 2.000 . 2.300 2.084 1.777 2.324 0.024 16 0 "[ . 1 . 2 . 3]" 2 28 1 36 GLU O 1 93 THR N 3.000 2.700 3.300 3.027 2.751 3.268 . 0 0 "[ . 1 . 2 . 3]" 2 29 1 36 GLU H 1 93 THR O 2.000 . 2.300 2.231 1.982 2.382 0.082 9 0 "[ . 1 . 2 . 3]" 2 30 1 36 GLU N 1 93 THR O 3.000 2.700 3.300 3.089 2.867 3.261 . 0 0 "[ . 1 . 2 . 3]" 2 31 1 34 CYS O 1 95 PHE H 2.000 . 2.300 2.159 1.863 2.350 0.050 18 0 "[ . 1 . 2 . 3]" 2 32 1 34 CYS O 1 95 PHE N 3.000 2.700 3.300 2.950 2.706 3.101 . 0 0 "[ . 1 . 2 . 3]" 2 33 1 34 CYS H 1 95 PHE O 2.000 . 2.300 1.973 1.767 2.222 0.033 4 0 "[ . 1 . 2 . 3]" 2 34 1 34 CYS N 1 95 PHE O 3.000 2.700 3.300 2.934 2.745 3.172 . 0 0 "[ . 1 . 2 . 3]" 2 35 1 32 TYR O 1 97 SER H 2.000 . 2.300 2.386 2.353 2.430 0.130 9 0 "[ . 1 . 2 . 3]" 2 36 1 32 TYR O 1 97 SER N 3.000 2.700 3.300 3.291 3.244 3.328 0.028 14 0 "[ . 1 . 2 . 3]" 2 37 1 90 TYR H 1 119 HIS O 2.000 . 2.300 2.343 2.315 2.425 0.125 15 0 "[ . 1 . 2 . 3]" 2 38 1 90 TYR N 1 119 HIS O 3.000 2.700 3.300 3.271 3.192 3.331 0.031 15 0 "[ . 1 . 2 . 3]" 2 39 1 90 TYR O 1 121 ARG H 2.000 . 2.300 2.091 1.923 2.388 0.088 5 0 "[ . 1 . 2 . 3]" 2 40 1 90 TYR O 1 121 ARG N 3.000 2.700 3.300 3.007 2.842 3.218 . 0 0 "[ . 1 . 2 . 3]" 2 41 1 92 VAL H 1 121 ARG O 2.000 . 2.300 2.051 1.779 2.315 0.021 9 0 "[ . 1 . 2 . 3]" 2 42 1 92 VAL N 1 121 ARG O 3.000 2.700 3.300 2.854 2.681 3.123 0.019 10 0 "[ . 1 . 2 . 3]" 2 43 1 92 VAL O 1 123 ARG H 2.000 . 2.300 2.291 2.091 2.425 0.125 5 0 "[ . 1 . 2 . 3]" 2 44 1 92 VAL O 1 123 ARG N 3.000 2.700 3.300 3.229 3.034 3.332 0.032 15 0 "[ . 1 . 2 . 3]" 2 45 1 94 TRP H 1 123 ARG O 2.000 . 2.300 1.893 1.769 2.310 0.031 15 0 "[ . 1 . 2 . 3]" 2 46 1 94 TRP N 1 123 ARG O 3.000 2.700 3.300 2.802 2.673 3.252 0.027 16 0 "[ . 1 . 2 . 3]" 2 47 1 94 TRP O 1 125 PHE H 2.000 . 2.300 2.390 2.320 2.462 0.162 11 0 "[ . 1 . 2 . 3]" 2 48 1 94 TRP O 1 125 PHE N 3.000 2.700 3.300 3.120 3.053 3.205 . 0 0 "[ . 1 . 2 . 3]" 2 49 1 96 ILE H 1 125 PHE O 2.000 . 2.300 2.061 1.831 2.339 0.039 13 0 "[ . 1 . 2 . 3]" 2 50 1 96 ILE N 1 125 PHE O 3.000 2.700 3.300 2.933 2.746 3.136 . 0 0 "[ . 1 . 2 . 3]" 2 51 1 96 ILE O 1 127 ALA H 2.000 . 2.300 1.745 1.708 1.861 0.092 2 0 "[ . 1 . 2 . 3]" 2 52 1 96 ILE O 1 127 ALA N 3.000 2.700 3.300 2.699 2.663 2.797 0.037 22 0 "[ . 1 . 2 . 3]" 2 53 1 122 LEU O 1 149 GLN H 2.000 . 2.300 2.307 2.237 2.339 0.039 4 0 "[ . 1 . 2 . 3]" 2 54 1 122 LEU O 1 149 GLN N 3.000 2.700 3.300 3.270 3.208 3.315 0.015 9 0 "[ . 1 . 2 . 3]" 2 55 1 124 ILE H 1 149 GLN O 2.000 . 2.300 1.859 1.779 2.039 0.021 9 0 "[ . 1 . 2 . 3]" 2 56 1 124 ILE N 1 149 GLN O 3.000 2.700 3.300 2.773 2.685 2.926 0.015 20 0 "[ . 1 . 2 . 3]" 2 57 1 124 ILE O 1 151 SER H 2.000 . 2.300 2.286 2.085 2.358 0.058 3 0 "[ . 1 . 2 . 3]" 2 58 1 124 ILE O 1 151 SER N 3.000 2.700 3.300 3.228 3.038 3.309 0.009 9 0 "[ . 1 . 2 . 3]" 2 59 1 126 ALA H 1 151 SER O 2.000 . 2.300 2.264 2.054 2.335 0.035 28 0 "[ . 1 . 2 . 3]" 2 60 1 126 ALA N 1 151 SER O 3.000 2.700 3.300 3.140 2.987 3.242 . 0 0 "[ . 1 . 2 . 3]" 2 61 1 126 ALA O 1 153 MET H 2.000 . 2.300 2.298 2.175 2.338 0.038 23 0 "[ . 1 . 2 . 3]" 2 62 1 126 ALA O 1 153 MET N 3.000 2.700 3.300 3.234 3.082 3.291 . 0 0 "[ . 1 . 2 . 3]" 2 63 1 15 PRO O 1 19 THR H 2.000 . 2.300 2.066 1.787 2.321 0.021 11 0 "[ . 1 . 2 . 3]" 2 64 1 15 PRO O 1 19 THR N 3.000 2.700 3.300 3.033 2.724 3.295 . 0 0 "[ . 1 . 2 . 3]" 2 65 1 16 HIS O 1 20 SER H 2.000 . 2.300 1.876 1.772 2.281 0.028 6 0 "[ . 1 . 2 . 3]" 2 66 1 16 HIS O 1 20 SER N 3.000 2.700 3.300 2.743 2.668 3.085 0.032 5 0 "[ . 1 . 2 . 3]" 2 67 1 17 ILE O 1 21 ASN H 2.000 . 2.300 2.238 1.764 2.335 0.036 11 0 "[ . 1 . 2 . 3]" 2 68 1 17 ILE O 1 21 ASN N 3.000 2.700 3.300 3.113 2.700 3.256 . 0 0 "[ . 1 . 2 . 3]" 2 69 1 18 PHE O 1 22 PHE H 2.000 . 2.300 2.092 1.786 2.311 0.014 1 0 "[ . 1 . 2 . 3]" 2 70 1 18 PHE O 1 22 PHE N 3.000 2.700 3.300 2.812 2.687 3.134 0.013 22 0 "[ . 1 . 2 . 3]" 2 71 1 71 ALA O 1 75 PHE H 2.000 . 2.300 2.109 1.870 2.318 0.018 2 0 "[ . 1 . 2 . 3]" 2 72 1 71 ALA O 1 75 PHE N 3.000 2.700 3.300 2.938 2.682 3.283 0.018 1 0 "[ . 1 . 2 . 3]" 2 73 1 72 GLU O 1 76 LEU H 2.000 . 2.300 2.053 1.786 2.331 0.031 19 0 "[ . 1 . 2 . 3]" 2 74 1 72 GLU O 1 76 LEU N 3.000 2.700 3.300 2.973 2.689 3.297 0.011 24 0 "[ . 1 . 2 . 3]" 2 75 1 73 LEU O 1 77 ASP H 2.000 . 2.300 2.177 1.856 2.394 0.094 15 0 "[ . 1 . 2 . 3]" 2 76 1 73 LEU O 1 77 ASP N 3.000 2.700 3.300 2.946 2.678 3.294 0.022 28 0 "[ . 1 . 2 . 3]" 2 77 1 75 PHE O 1 78 LEU H 2.000 . 2.300 2.186 1.750 2.381 0.081 8 0 "[ . 1 . 2 . 3]" 2 78 1 75 PHE O 1 78 LEU N 3.000 2.700 3.300 2.996 2.679 3.248 0.021 15 0 "[ . 1 . 2 . 3]" 2 79 1 78 LEU O 1 81 SER H 2.000 . 2.300 2.207 1.846 2.314 0.014 10 0 "[ . 1 . 2 . 3]" 2 80 1 78 LEU O 1 81 SER N 3.000 2.700 3.300 2.983 2.670 3.182 0.030 30 0 "[ . 1 . 2 . 3]" 2 81 1 79 VAL O 1 82 LEU H 2.000 . 2.300 2.055 1.777 2.366 0.066 5 0 "[ . 1 . 2 . 3]" 2 82 1 79 VAL O 1 82 LEU N 3.000 2.700 3.300 2.965 2.657 3.326 0.043 16 0 "[ . 1 . 2 . 3]" 2 83 1 105 GLY O 1 109 GLU H 2.000 . 2.300 2.377 2.321 2.451 0.151 27 0 "[ . 1 . 2 . 3]" 2 84 1 105 GLY O 1 109 GLU N 3.000 2.700 3.300 3.299 3.211 3.360 0.060 2 0 "[ . 1 . 2 . 3]" 2 85 1 106 CYS O 1 110 VAL H 2.000 . 2.300 2.166 1.856 2.340 0.040 24 0 "[ . 1 . 2 . 3]" 2 86 1 106 CYS O 1 110 VAL N 3.000 2.700 3.300 3.067 2.790 3.283 . 0 0 "[ . 1 . 2 . 3]" 2 87 1 107 ALA O 1 111 ARG H 2.000 . 2.300 1.840 1.751 2.111 0.049 14 0 "[ . 1 . 2 . 3]" 2 88 1 107 ALA O 1 111 ARG N 3.000 2.700 3.300 2.756 2.637 3.091 0.063 19 0 "[ . 1 . 2 . 3]" 2 89 1 108 GLY O 1 112 ALA H 2.000 . 2.300 2.091 1.798 2.283 0.002 24 0 "[ . 1 . 2 . 3]" 2 90 1 108 GLY O 1 112 ALA N 3.000 2.700 3.300 3.038 2.760 3.160 . 0 0 "[ . 1 . 2 . 3]" 2 91 1 109 GLU O 1 113 PHE H 2.000 . 2.300 2.319 2.280 2.359 0.059 22 0 "[ . 1 . 2 . 3]" 2 92 1 109 GLU O 1 113 PHE N 3.000 2.700 3.300 3.245 3.174 3.309 0.009 9 0 "[ . 1 . 2 . 3]" 2 93 1 110 VAL O 1 114 LEU H 2.000 . 2.300 2.095 1.820 2.386 0.086 22 0 "[ . 1 . 2 . 3]" 2 94 1 110 VAL O 1 114 LEU N 3.000 2.700 3.300 2.985 2.770 3.306 0.006 23 0 "[ . 1 . 2 . 3]" 2 95 1 111 ARG O 1 115 GLN H 2.000 . 2.300 1.865 1.730 2.253 0.070 30 0 "[ . 1 . 2 . 3]" 2 96 1 111 ARG O 1 115 GLN N 3.000 2.700 3.300 2.817 2.599 3.217 0.101 2 0 "[ . 1 . 2 . 3]" 2 97 1 112 ALA O 1 116 GLU H 2.000 . 2.300 2.316 2.262 2.363 0.063 17 0 "[ . 1 . 2 . 3]" 2 98 1 112 ALA O 1 116 GLU N 3.000 2.700 3.300 3.031 2.883 3.213 . 0 0 "[ . 1 . 2 . 3]" 2 99 1 114 LEU O 1 118 THR H 2.000 . 2.300 2.381 2.354 2.434 0.134 24 0 "[ . 1 . 2 . 3]" 2 100 1 114 LEU O 1 118 THR N 3.000 2.700 3.300 2.602 2.554 2.641 0.146 2 0 "[ . 1 . 2 . 3]" 2 101 1 135 LEU O 1 139 ALA H 2.000 . 2.300 2.252 2.021 2.343 0.043 26 0 "[ . 1 . 2 . 3]" 2 102 1 135 LEU O 1 139 ALA N 3.000 2.700 3.300 3.154 2.956 3.278 . 0 0 "[ . 1 . 2 . 3]" 2 103 1 136 TYR O 1 140 LEU H 2.000 . 2.300 2.217 1.777 2.324 0.024 4 0 "[ . 1 . 2 . 3]" 2 104 1 136 TYR O 1 140 LEU N 3.000 2.700 3.300 3.112 2.733 3.294 . 0 0 "[ . 1 . 2 . 3]" 2 105 1 137 LYS O 1 141 GLN H 2.000 . 2.300 2.309 2.186 2.350 0.050 20 0 "[ . 1 . 2 . 3]" 2 106 1 137 LYS O 1 141 GLN N 3.000 2.700 3.300 3.236 3.154 3.305 0.005 26 0 "[ . 1 . 2 . 3]" 2 107 1 138 GLU O 1 142 MET H 2.000 . 2.300 1.863 1.779 2.214 0.021 4 0 "[ . 1 . 2 . 3]" 2 108 1 138 GLU O 1 142 MET N 3.000 2.700 3.300 2.791 2.685 3.187 0.015 22 0 "[ . 1 . 2 . 3]" 2 109 1 139 ALA O 1 143 LEU H 2.000 . 2.300 2.024 1.804 2.305 0.005 22 0 "[ . 1 . 2 . 3]" 2 110 1 139 ALA O 1 143 LEU N 3.000 2.700 3.300 2.890 2.680 3.234 0.020 24 0 "[ . 1 . 2 . 3]" 2 111 1 140 LEU O 1 144 ARG H 2.000 . 2.300 2.227 1.882 2.337 0.037 9 0 "[ . 1 . 2 . 3]" 2 112 1 140 LEU O 1 144 ARG N 3.000 2.700 3.300 3.137 2.695 3.294 0.005 26 0 "[ . 1 . 2 . 3]" 2 113 1 141 GLN O 1 145 ASP H 2.000 . 2.300 2.249 2.120 2.322 0.022 10 0 "[ . 1 . 2 . 3]" 2 114 1 141 GLN O 1 145 ASP N 3.000 2.700 3.300 3.133 2.972 3.274 . 0 0 "[ . 1 . 2 . 3]" 2 115 1 155 TYR O 1 159 LYS H 2.000 . 2.300 2.192 1.955 2.386 0.086 12 0 "[ . 1 . 2 . 3]" 2 116 1 155 TYR O 1 159 LYS N 3.000 2.700 3.300 3.118 2.905 3.330 0.030 12 0 "[ . 1 . 2 . 3]" 2 117 1 156 ASP O 1 160 HIS H 2.000 . 2.300 2.307 2.128 2.344 0.044 6 0 "[ . 1 . 2 . 3]" 2 118 1 156 ASP O 1 160 HIS N 3.000 2.700 3.300 3.267 3.104 3.302 0.002 15 0 "[ . 1 . 2 . 3]" 2 119 1 157 GLU O 1 161 CYS H 2.000 . 2.300 1.840 1.764 2.339 0.039 12 0 "[ . 1 . 2 . 3]" 2 120 1 157 GLU O 1 161 CYS N 3.000 2.700 3.300 2.777 2.653 3.230 0.047 23 0 "[ . 1 . 2 . 3]" 2 121 1 158 PHE O 1 162 TRP H 2.000 . 2.300 1.952 1.767 2.306 0.033 9 0 "[ . 1 . 2 . 3]" 2 122 1 158 PHE O 1 162 TRP N 3.000 2.700 3.300 2.733 2.611 2.986 0.089 24 0 "[ . 1 . 2 . 3]" 2 123 1 159 LYS O 1 163 ASP H 2.000 . 2.300 2.247 1.787 2.401 0.101 12 0 "[ . 1 . 2 . 3]" 2 124 1 159 LYS O 1 163 ASP N 3.000 2.700 3.300 3.192 2.692 3.360 0.060 12 0 "[ . 1 . 2 . 3]" 2 125 1 160 HIS O 1 164 THR H 2.000 . 2.300 2.029 1.794 2.299 0.006 24 0 "[ . 1 . 2 . 3]" 2 126 1 160 HIS O 1 164 THR N 3.000 2.700 3.300 2.820 2.699 3.074 0.001 6 0 "[ . 1 . 2 . 3]" 2 127 1 178 GLY O 1 182 HIS H 2.000 . 2.300 1.912 1.786 2.308 0.014 5 0 "[ . 1 . 2 . 3]" 2 128 1 178 GLY O 1 182 HIS N 3.000 2.700 3.300 2.845 2.686 3.289 0.014 29 0 "[ . 1 . 2 . 3]" 2 129 1 179 LEU O 1 183 SER H 2.000 . 2.300 2.012 1.772 2.306 0.028 23 0 "[ . 1 . 2 . 3]" 2 130 1 179 LEU O 1 183 SER N 3.000 2.700 3.300 2.916 2.657 3.236 0.043 9 0 "[ . 1 . 2 . 3]" 2 131 1 180 ASP O 1 184 GLN H 2.000 . 2.300 2.123 1.795 2.375 0.075 11 0 "[ . 1 . 2 . 3]" 2 132 1 180 ASP O 1 184 GLN N 3.000 2.700 3.300 3.025 2.756 3.265 . 0 0 "[ . 1 . 2 . 3]" 2 133 1 181 GLU O 1 185 ALA H 2.000 . 2.300 2.126 1.793 2.311 0.011 23 0 "[ . 1 . 2 . 3]" 2 134 1 181 GLU O 1 185 ALA N 3.000 2.700 3.300 2.996 2.662 3.225 0.038 11 0 "[ . 1 . 2 . 3]" 2 135 1 182 HIS O 1 186 LEU H 2.000 . 2.300 2.067 1.794 2.330 0.030 11 0 "[ . 1 . 2 . 3]" 2 136 1 182 HIS O 1 186 LEU N 3.000 2.700 3.300 3.014 2.702 3.310 0.010 11 0 "[ . 1 . 2 . 3]" 2 137 1 183 SER O 1 187 SER H 2.000 . 2.300 1.929 1.795 2.309 0.009 22 0 "[ . 1 . 2 . 3]" 2 138 1 183 SER O 1 187 SER N 3.000 2.700 3.300 2.813 2.690 3.264 0.010 11 0 "[ . 1 . 2 . 3]" 2 139 1 184 GLN O 1 188 GLY H 2.000 . 2.300 2.123 1.805 2.307 0.007 11 0 "[ . 1 . 2 . 3]" 2 140 1 184 GLN O 1 188 GLY N 3.000 2.700 3.300 2.914 2.686 3.156 0.014 15 0 "[ . 1 . 2 . 3]" 2 141 1 185 ALA O 1 189 ARG H 2.000 . 2.300 2.237 1.894 2.326 0.026 22 0 "[ . 1 . 2 . 3]" 2 142 1 185 ALA O 1 189 ARG N 3.000 2.700 3.300 3.125 2.740 3.274 . 0 0 "[ . 1 . 2 . 3]" 2 143 1 186 LEU O 1 190 LEU H 2.000 . 2.300 2.264 1.913 2.351 0.051 21 0 "[ . 1 . 2 . 3]" 2 144 1 186 LEU O 1 190 LEU N 3.000 2.700 3.300 3.212 2.847 3.305 0.005 21 0 "[ . 1 . 2 . 3]" 2 145 1 187 SER O 1 191 ARG H 2.000 . 2.300 2.072 1.798 2.302 0.002 8 0 "[ . 1 . 2 . 3]" 2 146 1 187 SER O 1 191 ARG N 3.000 2.700 3.300 3.003 2.710 3.275 . 0 0 "[ . 1 . 2 . 3]" 2 147 1 188 GLY O 1 192 ALA H 2.000 . 2.300 2.227 1.826 2.313 0.013 11 0 "[ . 1 . 2 . 3]" 2 148 1 188 GLY O 1 192 ALA N 3.000 2.700 3.300 3.011 2.696 3.239 0.004 17 0 "[ . 1 . 2 . 3]" 2 149 1 189 ARG O 1 193 ILE H 2.000 . 2.300 2.224 1.787 2.344 0.044 22 0 "[ . 1 . 2 . 3]" 2 150 1 189 ARG O 1 193 ILE N 3.000 2.700 3.300 3.140 2.766 3.290 . 0 0 "[ . 1 . 2 . 3]" 2 151 1 190 LEU O 1 194 LEU H 2.000 . 2.300 2.093 1.791 2.313 0.013 4 0 "[ . 1 . 2 . 3]" 2 152 1 190 LEU O 1 194 LEU N 3.000 2.700 3.300 3.007 2.701 3.226 . 0 0 "[ . 1 . 2 . 3]" 2 stop_ save_
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