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NMR Restraints Grid |
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Result table
(Save to zip file containing files for each block)
image | mrblock_id | pdb_id | cing | in_recoord | stage | program | type | subtype | subsubtype |
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377858 |
1ge9 ![]() ![]() |
cing | recoord | 4-filtered-FRED | Wattos | check | violation | distance |
data_1ge9 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 1449 _Distance_constraint_stats_list.Viol_count 750 _Distance_constraint_stats_list.Viol_total 492.705 _Distance_constraint_stats_list.Viol_max 0.375 _Distance_constraint_stats_list.Viol_rms 0.0118 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0015 _Distance_constraint_stats_list.Viol_average_violations_only 0.0438 _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 1 MET 0.008 0.008 13 0 "[ . 1 .]" 1 2 ILE 0.149 0.149 15 0 "[ . 1 .]" 1 3 LYS 0.008 0.008 13 0 "[ . 1 .]" 1 4 GLU 0.000 0.000 . 0 "[ . 1 .]" 1 5 LEU 0.157 0.038 8 0 "[ . 1 .]" 1 6 GLU 0.464 0.084 3 0 "[ . 1 .]" 1 7 ASP 0.283 0.084 3 0 "[ . 1 .]" 1 8 ILE 0.521 0.196 12 0 "[ . 1 .]" 1 9 PHE 0.319 0.047 2 0 "[ . 1 .]" 1 10 LYS 0.267 0.039 8 0 "[ . 1 .]" 1 11 GLU 0.030 0.010 3 0 "[ . 1 .]" 1 12 ALA 0.160 0.033 11 0 "[ . 1 .]" 1 13 GLU 0.009 0.009 13 0 "[ . 1 .]" 1 14 LYS 0.110 0.039 8 0 "[ . 1 .]" 1 15 ASP 0.035 0.010 3 0 "[ . 1 .]" 1 16 MET 0.156 0.116 6 0 "[ . 1 .]" 1 17 LYS 0.000 0.000 . 0 "[ . 1 .]" 1 18 LYS 0.000 0.000 . 0 "[ . 1 .]" 1 19 ALA 0.000 0.000 . 0 "[ . 1 .]" 1 20 VAL 0.967 0.103 11 0 "[ . 1 .]" 1 21 GLU 0.000 0.000 . 0 "[ . 1 .]" 1 22 TYR 0.312 0.079 15 0 "[ . 1 .]" 1 23 TYR 0.172 0.035 11 0 "[ . 1 .]" 1 24 LYS 0.000 0.000 . 0 "[ . 1 .]" 1 25 ASN 0.188 0.079 15 0 "[ . 1 .]" 1 26 GLU 0.394 0.070 13 0 "[ . 1 .]" 1 27 ILE 1.041 0.142 9 0 "[ . 1 .]" 1 28 ALA 0.000 0.000 . 0 "[ . 1 .]" 1 29 GLY 0.004 0.004 9 0 "[ . 1 .]" 1 30 LEU 1.208 0.267 15 0 "[ . 1 .]" 1 31 ARG 0.808 0.310 15 0 "[ . 1 .]" 1 32 THR 0.817 0.310 15 0 "[ . 1 .]" 1 33 SER 0.581 0.119 15 0 "[ . 1 .]" 1 34 ARG 0.126 0.034 1 0 "[ . 1 .]" 1 35 ALA 2.477 0.204 13 0 "[ . 1 .]" 1 36 SER 1.696 0.204 13 0 "[ . 1 .]" 1 37 THR 0.183 0.155 15 0 "[ . 1 .]" 1 38 ALA 0.172 0.072 9 0 "[ . 1 .]" 1 39 LEU 1.873 0.256 15 0 "[ . 1 .]" 1 40 VAL 2.078 0.157 5 0 "[ . 1 .]" 1 41 GLU 2.434 0.227 14 0 "[ . 1 .]" 1 42 GLU 1.681 0.220 11 0 "[ . 1 .]" 1 43 ILE 2.053 0.161 2 0 "[ . 1 .]" 1 44 LYS 0.002 0.002 4 0 "[ . 1 .]" 1 45 VAL 0.162 0.049 10 0 "[ . 1 .]" 1 46 GLU 0.078 0.016 11 0 "[ . 1 .]" 1 47 TYR 0.000 0.000 . 0 "[ . 1 .]" 1 48 TYR 0.000 0.000 . 0 "[ . 1 .]" 1 49 GLY 0.000 0.000 . 0 "[ . 1 .]" 1 50 SER 0.006 0.006 13 0 "[ . 1 .]" 1 51 LYS 0.000 0.000 . 0 "[ . 1 .]" 1 52 VAL 0.601 0.080 9 0 "[ . 1 .]" 1 53 PRO 0.000 0.000 . 0 "[ . 1 .]" 1 54 ILE 0.266 0.087 13 0 "[ . 1 .]" 1 55 LYS 0.260 0.078 4 0 "[ . 1 .]" 1 56 GLN 0.000 0.000 . 0 "[ . 1 .]" 1 57 LEU 0.290 0.132 1 0 "[ . 1 .]" 1 58 GLY 1.021 0.078 4 0 "[ . 1 .]" 1 59 THR 0.332 0.071 14 0 "[ . 1 .]" 1 60 ILE 0.414 0.118 11 0 "[ . 1 .]" 1 61 SER 0.101 0.029 1 0 "[ . 1 .]" 1 62 VAL 0.526 0.155 15 0 "[ . 1 .]" 1 63 PRO 0.030 0.030 3 0 "[ . 1 .]" 1 64 GLU 0.822 0.185 11 0 "[ . 1 .]" 1 65 HIS 0.897 0.185 11 0 "[ . 1 .]" 1 66 ASN 0.185 0.037 1 0 "[ . 1 .]" 1 67 GLN 0.098 0.033 12 0 "[ . 1 .]" 1 68 ILE 0.996 0.118 7 0 "[ . 1 .]" 1 69 VAL 0.171 0.038 11 0 "[ . 1 .]" 1 70 ILE 0.994 0.189 9 0 "[ . 1 .]" 1 71 GLN 0.105 0.029 1 0 "[ . 1 .]" 1 72 VAL 0.800 0.098 6 0 "[ . 1 .]" 1 73 TRP 1.386 0.143 7 0 "[ . 1 .]" 1 74 ASP 0.602 0.114 6 0 "[ . 1 .]" 1 75 GLN 0.090 0.060 13 0 "[ . 1 .]" 1 76 ASN 0.602 0.114 6 0 "[ . 1 .]" 1 77 ALA 0.639 0.132 1 0 "[ . 1 .]" 1 78 VAL 0.651 0.075 9 0 "[ . 1 .]" 1 79 PRO 0.421 0.075 9 0 "[ . 1 .]" 1 80 ALA 0.000 0.000 . 0 "[ . 1 .]" 1 81 ILE 1.022 0.093 10 0 "[ . 1 .]" 1 82 GLU 0.949 0.093 10 0 "[ . 1 .]" 1 83 LYS 0.000 0.000 . 0 "[ . 1 .]" 1 84 ALA 0.000 0.000 . 0 "[ . 1 .]" 1 85 ILE 0.291 0.153 11 0 "[ . 1 .]" 1 86 ARG 0.080 0.021 15 0 "[ . 1 .]" 1 87 GLU 0.000 0.000 . 0 "[ . 1 .]" 1 88 GLU 0.000 0.000 . 0 "[ . 1 .]" 1 89 LEU 0.549 0.083 8 0 "[ . 1 .]" 1 90 ASN 0.177 0.041 11 0 "[ . 1 .]" 1 91 LEU 0.730 0.083 8 0 "[ . 1 .]" 1 92 ASN 0.164 0.038 8 0 "[ . 1 .]" 1 93 PRO 0.042 0.020 9 0 "[ . 1 .]" 1 94 THR 0.000 0.000 . 0 "[ . 1 .]" 1 95 VAL 0.329 0.048 11 0 "[ . 1 .]" 1 96 GLN 0.470 0.048 11 0 "[ . 1 .]" 1 97 GLY 0.000 0.000 . 0 "[ . 1 .]" 1 98 ASN 0.190 0.036 5 0 "[ . 1 .]" 1 99 VAL 0.714 0.095 11 0 "[ . 1 .]" 1 100 ILE 0.103 0.059 12 0 "[ . 1 .]" 1 101 ARG 0.166 0.042 14 0 "[ . 1 .]" 1 102 VAL 0.053 0.020 9 0 "[ . 1 .]" 1 103 THR 0.137 0.080 12 0 "[ . 1 .]" 1 104 LEU 0.504 0.061 6 0 "[ . 1 .]" 1 105 PRO 0.000 0.000 . 0 "[ . 1 .]" 1 106 PRO 0.000 0.000 . 0 "[ . 1 .]" 1 107 LEU 0.224 0.146 1 0 "[ . 1 .]" 1 108 THR 0.203 0.037 9 0 "[ . 1 .]" 1 109 GLU 0.426 0.045 14 0 "[ . 1 .]" 1 110 GLU 0.426 0.045 14 0 "[ . 1 .]" 1 111 ARG 0.008 0.005 4 0 "[ . 1 .]" 1 112 ARG 0.258 0.039 15 0 "[ . 1 .]" 1 113 ARG 0.000 0.000 . 0 "[ . 1 .]" 1 114 GLU 0.000 0.000 . 0 "[ . 1 .]" 1 115 LEU 0.000 0.000 . 0 "[ . 1 .]" 1 116 VAL 0.343 0.154 15 0 "[ . 1 .]" 1 117 ARG 0.000 0.000 . 0 "[ . 1 .]" 1 118 LEU 1.342 0.148 7 0 "[ . 1 .]" 1 119 LEU 0.015 0.015 15 0 "[ . 1 .]" 1 120 HIS 0.000 0.000 . 0 "[ . 1 .]" 1 121 LYS 2.021 0.148 7 0 "[ . 1 .]" 1 122 ILE 0.921 0.124 15 0 "[ . 1 .]" 1 123 THR 0.000 0.000 . 0 "[ . 1 .]" 1 124 GLU 0.000 0.000 . 0 "[ . 1 .]" 1 125 GLU 0.000 0.000 . 0 "[ . 1 .]" 1 126 ALA 0.717 0.150 9 0 "[ . 1 .]" 1 127 ARG 0.000 0.000 . 0 "[ . 1 .]" 1 128 VAL 0.092 0.092 4 0 "[ . 1 .]" 1 129 ARG 0.082 0.044 10 0 "[ . 1 .]" 1 130 VAL 0.082 0.044 10 0 "[ . 1 .]" 1 131 ARG 0.000 0.000 1 0 "[ . 1 .]" 1 132 ASN 0.000 0.000 . 0 "[ . 1 .]" 1 133 VAL 0.000 0.000 . 0 "[ . 1 .]" 1 134 ARG 0.000 0.000 . 0 "[ . 1 .]" 1 135 ARG 0.036 0.019 2 0 "[ . 1 .]" 1 136 GLU 0.337 0.073 14 0 "[ . 1 .]" 1 137 ALA 0.000 0.000 . 0 "[ . 1 .]" 1 138 LYS 0.215 0.045 2 0 "[ . 1 .]" 1 139 GLU 0.401 0.073 14 0 "[ . 1 .]" 1 140 MET 0.000 0.000 . 0 "[ . 1 .]" 1 141 ILE 0.181 0.045 2 0 "[ . 1 .]" 1 142 GLU 0.063 0.058 12 0 "[ . 1 .]" 1 143 GLU 0.114 0.110 5 0 "[ . 1 .]" 1 144 LEU 0.114 0.110 5 0 "[ . 1 .]" 1 145 GLU 0.011 0.011 5 0 "[ . 1 .]" 1 146 GLY 0.144 0.022 2 0 "[ . 1 .]" 1 147 ILE 0.979 0.362 14 0 "[ . 1 .]" 1 148 SER 1.397 0.375 14 0 "[ . 1 .]" 1 149 GLU 0.704 0.375 14 0 "[ . 1 .]" 1 150 ASP 0.000 0.000 . 0 "[ . 1 .]" 1 151 GLU 0.000 0.000 . 0 "[ . 1 .]" 1 152 LYS 0.000 0.000 . 0 "[ . 1 .]" 1 153 LYS 0.000 0.000 . 0 "[ . 1 .]" 1 154 ARG 0.000 0.000 . 0 "[ . 1 .]" 1 155 ALA 0.000 0.000 . 0 "[ . 1 .]" 1 156 LEU 0.000 0.000 . 0 "[ . 1 .]" 1 157 GLU 0.000 0.000 . 0 "[ . 1 .]" 1 158 ARG 0.165 0.056 11 0 "[ . 1 .]" 1 159 LEU 0.373 0.134 14 0 "[ . 1 .]" 1 160 GLN 0.000 0.000 . 0 "[ . 1 .]" 1 161 LYS 0.000 0.000 . 0 "[ . 1 .]" 1 162 LEU 0.348 0.116 6 0 "[ . 1 .]" 1 163 THR 0.110 0.034 8 0 "[ . 1 .]" 1 164 ASP 0.000 0.000 . 0 "[ . 1 .]" 1 165 LYS 0.000 0.000 . 0 "[ . 1 .]" 1 166 TYR 0.000 0.000 . 0 "[ . 1 .]" 1 167 ILE 0.073 0.037 3 0 "[ . 1 .]" 1 168 ASP 0.000 0.000 . 0 "[ . 1 .]" 1 169 GLU 0.190 0.050 10 0 "[ . 1 .]" 1 170 ILE 0.869 0.150 9 0 "[ . 1 .]" 1 171 ASN 0.406 0.064 15 0 "[ . 1 .]" 1 172 LYS 0.000 0.000 . 0 "[ . 1 .]" 1 173 LEU 0.000 0.000 . 0 "[ . 1 .]" 1 174 MET 0.289 0.104 15 0 "[ . 1 .]" 1 175 GLU 0.028 0.018 12 0 "[ . 1 .]" 1 176 ALA 0.000 0.000 . 0 "[ . 1 .]" 1 177 LYS 0.003 0.003 4 0 "[ . 1 .]" 1 178 GLU 0.286 0.104 15 0 "[ . 1 .]" 1 179 LYS 0.000 0.000 . 0 "[ . 1 .]" 1 180 GLU 0.000 0.000 . 0 "[ . 1 .]" 1 181 ILE 0.328 0.154 15 0 "[ . 1 .]" 1 182 MET 0.020 0.020 8 0 "[ . 1 .]" 1 183 SER 0.020 0.020 8 0 "[ . 1 .]" 1 184 VAL 0.000 0.000 . 0 "[ . 1 .]" 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 1 MET HA 1 1 MET QG 3.300 . 3.300 2.218 2.031 2.433 . 0 0 "[ . 1 .]" 1 2 1 1 MET HA 1 2 ILE MG 5.000 . 5.500 4.033 3.751 4.588 . 0 0 "[ . 1 .]" 1 3 1 1 MET HA 1 3 LYS H 6.000 . 6.000 5.633 5.184 6.008 0.008 13 0 "[ . 1 .]" 1 4 1 2 ILE HA 1 2 ILE MD 3.300 . 3.800 2.966 2.580 3.189 . 0 0 "[ . 1 .]" 1 5 1 2 ILE HA 1 2 ILE QG 3.300 . 3.800 2.705 2.303 3.437 . 0 0 "[ . 1 .]" 1 6 1 2 ILE HA 1 2 ILE MG 3.300 . 3.800 2.916 2.112 3.199 . 0 0 "[ . 1 .]" 1 7 1 2 ILE HB 1 2 ILE MD 3.300 . 3.800 2.467 1.993 3.203 . 0 0 "[ . 1 .]" 1 8 1 2 ILE MD 1 2 ILE MG 3.500 . 4.500 2.595 1.651 3.071 0.149 15 0 "[ . 1 .]" 1 9 1 2 ILE MG 1 3 LYS H 5.000 . 5.500 4.021 3.752 4.168 . 0 0 "[ . 1 .]" 1 10 1 3 LYS HA 1 3 LYS QD 3.300 . 3.300 2.473 1.957 2.946 . 0 0 "[ . 1 .]" 1 11 1 3 LYS HA 1 4 GLU H 5.000 . 5.000 2.710 2.153 3.576 . 0 0 "[ . 1 .]" 1 12 1 3 LYS H 1 4 GLU H 5.000 . 5.000 3.787 2.139 4.595 . 0 0 "[ . 1 .]" 1 13 1 3 LYS H 1 3 LYS QB 3.500 . 3.500 2.553 2.123 2.983 . 0 0 "[ . 1 .]" 1 14 1 3 LYS QB 1 4 GLU H 5.000 . 5.000 2.766 1.873 3.921 . 0 0 "[ . 1 .]" 1 15 1 3 LYS QG 1 4 GLU H 5.000 . 5.000 3.674 2.087 4.460 . 0 0 "[ . 1 .]" 1 16 1 4 GLU HA 1 6 GLU H 5.000 . 5.000 4.154 3.836 4.751 . 0 0 "[ . 1 .]" 1 17 1 4 GLU HA 1 144 LEU MD2 5.000 . 5.500 4.568 4.225 4.621 . 0 0 "[ . 1 .]" 1 18 1 4 GLU H 1 5 LEU HA 6.000 . 6.000 5.182 5.085 5.319 . 0 0 "[ . 1 .]" 1 19 1 4 GLU H 1 151 GLU QB 6.000 . 6.000 5.379 5.351 5.397 . 0 0 "[ . 1 .]" 1 20 1 4 GLU H 1 151 GLU QG 5.000 . 5.000 4.239 3.638 4.464 . 0 0 "[ . 1 .]" 1 21 1 5 LEU HA 1 5 LEU MD1 3.300 . 3.800 2.350 2.116 2.780 . 0 0 "[ . 1 .]" 1 22 1 5 LEU HA 1 8 ILE H 5.000 . 5.000 3.327 3.147 3.590 . 0 0 "[ . 1 .]" 1 23 1 5 LEU HA 1 9 PHE H 5.000 . 5.000 4.098 3.576 4.496 . 0 0 "[ . 1 .]" 1 24 1 5 LEU HG 1 10 LYS H 6.000 . 6.000 5.887 5.411 6.038 0.038 8 0 "[ . 1 .]" 1 25 1 5 LEU QB 1 6 GLU H 5.000 . 5.000 2.618 2.373 2.892 . 0 0 "[ . 1 .]" 1 26 1 5 LEU MD1 1 8 ILE MG 5.000 . 6.000 3.414 2.438 4.163 . 0 0 "[ . 1 .]" 1 27 1 5 LEU MD1 1 9 PHE QD 5.000 . 5.500 3.713 2.991 4.088 . 0 0 "[ . 1 .]" 1 28 1 5 LEU MD1 1 155 ALA MB 5.000 . 6.000 2.046 1.843 2.441 . 0 0 "[ . 1 .]" 1 29 1 5 LEU MD2 1 9 PHE QD 5.000 . 5.500 3.928 3.450 4.091 . 0 0 "[ . 1 .]" 1 30 1 5 LEU MD2 1 155 ALA MB 5.000 . 6.000 3.926 3.235 4.169 . 0 0 "[ . 1 .]" 1 31 1 6 GLU HA 1 9 PHE QB 5.000 . 5.000 3.379 2.740 4.087 . 0 0 "[ . 1 .]" 1 32 1 6 GLU HA 1 9 PHE QD 5.000 . 5.000 3.285 1.801 4.472 . 0 0 "[ . 1 .]" 1 33 1 6 GLU H 1 7 ASP H 2.900 . 2.900 2.889 2.766 2.984 0.084 3 0 "[ . 1 .]" 1 34 1 6 GLU H 1 8 ILE H 5.000 . 5.000 4.125 4.028 4.240 . 0 0 "[ . 1 .]" 1 35 1 6 GLU H 1 9 PHE H 5.000 . 5.000 4.905 4.617 5.047 0.047 2 0 "[ . 1 .]" 1 36 1 6 GLU H 1 6 GLU QB 3.500 . 3.500 2.239 2.039 2.608 . 0 0 "[ . 1 .]" 1 37 1 7 ASP HA 1 10 LYS QB 5.000 . 5.000 2.710 2.280 3.063 . 0 0 "[ . 1 .]" 1 38 1 7 ASP HA 1 10 LYS QG 5.000 . 5.000 4.364 3.871 4.467 . 0 0 "[ . 1 .]" 1 39 1 7 ASP H 1 8 ILE H 5.000 . 5.000 2.549 2.413 2.742 . 0 0 "[ . 1 .]" 1 40 1 7 ASP QB 1 8 ILE H 5.000 . 5.000 2.822 2.733 2.902 . 0 0 "[ . 1 .]" 1 41 1 7 ASP QB 1 11 GLU H 6.000 . 6.000 4.855 4.403 5.353 . 0 0 "[ . 1 .]" 1 42 1 8 ILE HA 1 8 ILE MD 3.300 . 3.800 2.322 2.031 3.178 . 0 0 "[ . 1 .]" 1 43 1 8 ILE HA 1 8 ILE QG 3.300 . 3.800 2.913 2.017 3.207 . 0 0 "[ . 1 .]" 1 44 1 8 ILE HA 1 8 ILE MG 3.300 . 3.800 2.356 2.188 2.670 . 0 0 "[ . 1 .]" 1 45 1 8 ILE HA 1 11 GLU QB 5.000 . 5.000 3.187 2.553 4.142 . 0 0 "[ . 1 .]" 1 46 1 8 ILE H 1 9 PHE H 3.500 . 3.500 2.652 2.525 2.793 . 0 0 "[ . 1 .]" 1 47 1 8 ILE H 1 10 LYS H 5.000 . 5.000 4.091 3.811 4.212 . 0 0 "[ . 1 .]" 1 48 1 8 ILE H 1 8 ILE MD 3.500 . 4.000 2.827 2.141 3.336 . 0 0 "[ . 1 .]" 1 49 1 8 ILE MD 1 8 ILE MG 3.500 . 4.500 2.069 1.604 3.119 0.196 12 0 "[ . 1 .]" 1 50 1 8 ILE MD 1 140 MET HA 5.000 . 5.500 4.193 3.835 4.596 . 0 0 "[ . 1 .]" 1 51 1 8 ILE MD 1 144 LEU HG 5.000 . 5.500 4.178 3.009 4.595 . 0 0 "[ . 1 .]" 1 52 1 8 ILE H 1 8 ILE QG 3.500 . 4.000 2.163 1.903 3.272 . 0 0 "[ . 1 .]" 1 53 1 8 ILE QG 1 9 PHE H 5.000 . 5.500 3.833 3.561 4.441 . 0 0 "[ . 1 .]" 1 54 1 8 ILE QG 1 10 LYS H 6.000 . 6.500 5.677 5.374 5.804 . 0 0 "[ . 1 .]" 1 55 1 8 ILE MG 1 9 PHE H 5.000 . 5.500 3.429 2.761 3.788 . 0 0 "[ . 1 .]" 1 56 1 8 ILE MG 1 141 ILE MG 5.000 . 6.000 4.137 3.914 4.191 . 0 0 "[ . 1 .]" 1 57 1 8 ILE MG 1 159 LEU MD2 5.000 . 6.000 2.090 1.666 2.998 0.134 14 0 "[ . 1 .]" 1 58 1 9 PHE HA 1 12 ALA H 3.500 . 3.500 3.426 3.200 3.533 0.033 11 0 "[ . 1 .]" 1 59 1 9 PHE HA 1 13 GLU H 5.000 . 5.000 3.801 3.566 4.205 . 0 0 "[ . 1 .]" 1 60 1 9 PHE H 1 10 LYS H 3.500 . 3.500 2.683 2.562 2.834 . 0 0 "[ . 1 .]" 1 61 1 9 PHE H 1 9 PHE QB 3.500 . 3.500 2.251 2.111 2.521 . 0 0 "[ . 1 .]" 1 62 1 9 PHE QB 1 10 LYS H 5.000 . 5.000 2.804 2.341 3.448 . 0 0 "[ . 1 .]" 1 63 1 10 LYS HA 1 10 LYS QG 3.300 . 3.300 2.250 2.090 2.489 . 0 0 "[ . 1 .]" 1 64 1 10 LYS H 1 11 GLU H 3.500 . 3.500 2.737 2.532 2.844 . 0 0 "[ . 1 .]" 1 65 1 10 LYS H 1 14 LYS H 6.000 . 6.000 5.877 5.523 6.039 0.039 8 0 "[ . 1 .]" 1 66 1 10 LYS H 1 10 LYS QB 2.900 . 2.900 2.170 2.047 2.364 . 0 0 "[ . 1 .]" 1 67 1 10 LYS QB 1 11 GLU H 2.900 . 2.900 2.546 2.455 2.621 . 0 0 "[ . 1 .]" 1 68 1 10 LYS QD 1 11 GLU H 5.000 . 5.000 3.707 2.993 4.425 . 0 0 "[ . 1 .]" 1 69 1 11 GLU HA 1 15 ASP H 5.000 . 5.000 3.972 3.650 4.296 . 0 0 "[ . 1 .]" 1 70 1 11 GLU H 1 12 ALA HA 6.000 . 6.000 5.197 5.066 5.357 . 0 0 "[ . 1 .]" 1 71 1 11 GLU H 1 12 ALA H 3.500 . 3.500 2.579 2.455 2.763 . 0 0 "[ . 1 .]" 1 72 1 11 GLU H 1 15 ASP H 6.000 . 6.000 5.887 5.632 6.010 0.010 3 0 "[ . 1 .]" 1 73 1 11 GLU H 1 11 GLU QG 3.500 . 3.500 2.755 2.210 3.144 . 0 0 "[ . 1 .]" 1 74 1 11 GLU QG 1 15 ASP H 6.000 . 6.000 5.289 4.929 5.380 . 0 0 "[ . 1 .]" 1 75 1 12 ALA HA 1 13 GLU H 5.000 . 5.000 3.553 3.488 3.618 . 0 0 "[ . 1 .]" 1 76 1 12 ALA HA 1 14 LYS H 5.000 . 5.000 4.663 4.338 4.953 . 0 0 "[ . 1 .]" 1 77 1 12 ALA HA 1 15 ASP HA 6.000 . 6.000 5.683 5.220 6.004 0.004 8 0 "[ . 1 .]" 1 78 1 12 ALA HA 1 15 ASP QB 5.000 . 5.000 2.886 2.372 3.302 . 0 0 "[ . 1 .]" 1 79 1 12 ALA HA 1 16 MET H 5.000 . 5.000 3.909 3.528 4.146 . 0 0 "[ . 1 .]" 1 80 1 12 ALA HA 1 133 VAL MG1 5.000 . 5.500 2.390 1.953 3.040 . 0 0 "[ . 1 .]" 1 81 1 12 ALA H 1 13 GLU H 3.500 . 3.500 2.701 2.582 2.873 . 0 0 "[ . 1 .]" 1 82 1 12 ALA MB 1 13 GLU H 3.500 . 4.000 2.557 2.301 2.918 . 0 0 "[ . 1 .]" 1 83 1 12 ALA MB 1 15 ASP H 6.000 . 6.500 4.717 4.523 4.869 . 0 0 "[ . 1 .]" 1 84 1 12 ALA MB 1 16 MET H 5.000 . 5.500 4.514 4.268 4.620 . 0 0 "[ . 1 .]" 1 85 1 12 ALA MB 1 162 LEU MD2 5.000 . 6.000 2.254 1.782 3.634 0.018 2 0 "[ . 1 .]" 1 86 1 13 GLU HA 1 14 LYS H 5.000 . 5.000 3.544 3.521 3.563 . 0 0 "[ . 1 .]" 1 87 1 13 GLU HA 1 16 MET H 5.000 . 5.000 3.557 3.111 3.937 . 0 0 "[ . 1 .]" 1 88 1 13 GLU HA 1 162 LEU MD1 5.000 . 5.500 4.386 3.850 4.602 . 0 0 "[ . 1 .]" 1 89 1 13 GLU HA 1 162 LEU MD2 5.000 . 5.500 2.766 1.894 4.461 . 0 0 "[ . 1 .]" 1 90 1 13 GLU H 1 14 LYS H 3.500 . 3.500 2.659 2.537 2.749 . 0 0 "[ . 1 .]" 1 91 1 13 GLU H 1 14 LYS QB 5.000 . 5.000 4.380 4.226 4.473 . 0 0 "[ . 1 .]" 1 92 1 13 GLU H 1 15 ASP H 5.000 . 5.000 4.087 3.640 4.376 . 0 0 "[ . 1 .]" 1 93 1 13 GLU H 1 15 ASP QB 6.000 . 6.000 4.960 4.504 5.310 . 0 0 "[ . 1 .]" 1 94 1 13 GLU QB 1 162 LEU MD2 5.000 . 5.500 3.215 1.791 4.085 0.009 13 0 "[ . 1 .]" 1 95 1 14 LYS HA 1 14 LYS QG 3.300 . 3.300 2.372 2.194 2.529 . 0 0 "[ . 1 .]" 1 96 1 14 LYS HA 1 15 ASP H 5.000 . 5.000 3.525 3.471 3.564 . 0 0 "[ . 1 .]" 1 97 1 14 LYS H 1 15 ASP H 3.500 . 3.500 2.700 2.495 2.871 . 0 0 "[ . 1 .]" 1 98 1 14 LYS H 1 16 MET H 5.000 . 5.000 4.248 3.889 4.476 . 0 0 "[ . 1 .]" 1 99 1 14 LYS QB 1 15 ASP H 3.500 . 3.500 2.583 2.372 2.832 . 0 0 "[ . 1 .]" 1 100 1 14 LYS QB 1 16 MET H 6.000 . 6.000 4.813 4.463 5.027 . 0 0 "[ . 1 .]" 1 101 1 14 LYS H 1 14 LYS QD 5.000 . 5.000 4.391 4.153 4.472 . 0 0 "[ . 1 .]" 1 102 1 14 LYS QD 1 15 ASP H 5.000 . 5.000 3.924 3.154 4.456 . 0 0 "[ . 1 .]" 1 103 1 14 LYS QE 1 15 ASP HA 5.000 . 5.000 3.227 2.171 4.275 . 0 0 "[ . 1 .]" 1 104 1 14 LYS QE 1 15 ASP H 5.000 . 5.000 4.062 3.013 4.457 . 0 0 "[ . 1 .]" 1 105 1 15 ASP HA 1 16 MET H 5.000 . 5.000 3.546 3.509 3.566 . 0 0 "[ . 1 .]" 1 106 1 15 ASP HA 1 18 LYS H 5.000 . 5.000 3.754 3.251 4.138 . 0 0 "[ . 1 .]" 1 107 1 15 ASP H 1 16 MET H 5.000 . 5.000 2.610 2.422 2.724 . 0 0 "[ . 1 .]" 1 108 1 15 ASP H 1 15 ASP QB 3.500 . 3.500 2.215 2.062 2.290 . 0 0 "[ . 1 .]" 1 109 1 15 ASP QB 1 16 MET H 5.000 . 5.000 2.522 2.365 2.743 . 0 0 "[ . 1 .]" 1 110 1 15 ASP QB 1 133 VAL MG1 5.000 . 5.500 3.185 2.670 3.965 . 0 0 "[ . 1 .]" 1 111 1 16 MET HA 1 19 ALA H 5.000 . 5.000 3.490 3.234 3.700 . 0 0 "[ . 1 .]" 1 112 1 16 MET HA 1 19 ALA MB 5.000 . 5.500 2.720 2.122 3.286 . 0 0 "[ . 1 .]" 1 113 1 16 MET HA 1 130 VAL MG2 5.000 . 5.500 4.347 3.915 4.601 . 0 0 "[ . 1 .]" 1 114 1 16 MET H 1 17 LYS H 3.500 . 3.500 2.656 2.550 2.751 . 0 0 "[ . 1 .]" 1 115 1 16 MET H 1 17 LYS QB 5.000 . 5.000 4.422 4.281 4.548 . 0 0 "[ . 1 .]" 1 116 1 16 MET H 1 18 LYS H 5.000 . 5.000 4.234 3.969 4.470 . 0 0 "[ . 1 .]" 1 117 1 16 MET H 1 16 MET QB 3.500 . 3.500 2.304 2.041 2.630 . 0 0 "[ . 1 .]" 1 118 1 16 MET ME 1 130 VAL MG2 5.000 . 6.000 3.699 2.065 4.165 . 0 0 "[ . 1 .]" 1 119 1 16 MET ME 1 162 LEU MD1 5.000 . 6.000 3.302 1.684 4.164 0.116 6 0 "[ . 1 .]" 1 120 1 16 MET ME 1 162 LEU MD2 5.000 . 6.000 2.752 1.885 3.763 . 0 0 "[ . 1 .]" 1 121 1 16 MET ME 1 163 THR HA 5.000 . 5.500 2.320 1.842 3.639 . 0 0 "[ . 1 .]" 1 122 1 16 MET ME 1 163 THR H 5.000 . 5.500 3.402 2.594 4.584 . 0 0 "[ . 1 .]" 1 123 1 16 MET ME 1 165 LYS H 5.000 . 5.500 4.416 3.846 4.613 . 0 0 "[ . 1 .]" 1 124 1 17 LYS HA 1 19 ALA H 5.000 . 5.000 4.368 4.086 4.781 . 0 0 "[ . 1 .]" 1 125 1 17 LYS H 1 18 LYS H 3.500 . 3.500 2.731 2.535 2.910 . 0 0 "[ . 1 .]" 1 126 1 17 LYS H 1 19 ALA H 5.000 . 5.000 4.138 3.918 4.501 . 0 0 "[ . 1 .]" 1 127 1 17 LYS H 1 17 LYS QD 5.000 . 5.000 4.286 3.745 4.484 . 0 0 "[ . 1 .]" 1 128 1 17 LYS H 1 17 LYS QG 3.500 . 3.500 2.857 2.528 3.072 . 0 0 "[ . 1 .]" 1 129 1 18 LYS H 1 19 ALA H 3.500 . 3.500 2.637 2.524 2.782 . 0 0 "[ . 1 .]" 1 130 1 18 LYS QB 1 19 ALA H 5.000 . 5.000 2.955 2.545 3.536 . 0 0 "[ . 1 .]" 1 131 1 18 LYS QB 1 22 TYR QD 5.000 . 5.000 3.341 2.954 3.690 . 0 0 "[ . 1 .]" 1 132 1 18 LYS QB 1 22 TYR QE 5.000 . 5.000 3.522 2.315 3.977 . 0 0 "[ . 1 .]" 1 133 1 18 LYS H 1 18 LYS QG 3.500 . 3.500 2.882 2.141 3.138 . 0 0 "[ . 1 .]" 1 134 1 18 LYS QG 1 22 TYR QD 5.000 . 5.000 3.833 3.196 4.010 . 0 0 "[ . 1 .]" 1 135 1 18 LYS QG 1 22 TYR QE 5.000 . 5.000 3.509 2.558 3.973 . 0 0 "[ . 1 .]" 1 136 1 19 ALA HA 1 20 VAL H 5.000 . 5.000 3.564 3.528 3.581 . 0 0 "[ . 1 .]" 1 137 1 19 ALA H 1 20 VAL H 5.000 . 5.000 2.715 2.601 2.789 . 0 0 "[ . 1 .]" 1 138 1 19 ALA H 1 21 GLU H 5.000 . 5.000 4.041 3.920 4.395 . 0 0 "[ . 1 .]" 1 139 1 19 ALA H 1 22 TYR QB 6.000 . 6.000 5.265 4.903 5.375 . 0 0 "[ . 1 .]" 1 140 1 19 ALA MB 1 20 VAL HA 5.000 . 5.500 3.800 3.735 3.824 . 0 0 "[ . 1 .]" 1 141 1 19 ALA MB 1 20 VAL H 5.000 . 5.500 2.465 2.333 2.660 . 0 0 "[ . 1 .]" 1 142 1 19 ALA MB 1 129 ARG QD 5.000 . 5.500 2.478 1.829 3.488 . 0 0 "[ . 1 .]" 1 143 1 19 ALA MB 1 130 VAL H 5.000 . 5.500 4.516 4.065 4.605 . 0 0 "[ . 1 .]" 1 144 1 19 ALA MB 1 130 VAL MG2 5.000 . 6.000 3.813 3.382 4.097 . 0 0 "[ . 1 .]" 1 145 1 20 VAL HA 1 20 VAL MG1 3.300 . 3.800 2.378 2.067 2.970 . 0 0 "[ . 1 .]" 1 146 1 20 VAL HA 1 20 VAL MG2 3.300 . 3.800 2.940 1.944 3.192 . 0 0 "[ . 1 .]" 1 147 1 20 VAL HA 1 23 TYR H 5.000 . 5.000 3.360 3.193 3.678 . 0 0 "[ . 1 .]" 1 148 1 20 VAL H 1 20 VAL HB 3.500 . 3.500 3.297 2.161 3.603 0.103 11 0 "[ . 1 .]" 1 149 1 20 VAL HB 1 22 TYR H 6.000 . 6.000 5.675 5.562 5.793 . 0 0 "[ . 1 .]" 1 150 1 20 VAL HB 1 23 TYR QE 6.000 . 6.000 5.324 4.979 5.419 . 0 0 "[ . 1 .]" 1 151 1 20 VAL H 1 21 GLU H 3.500 . 3.500 2.598 2.535 2.666 . 0 0 "[ . 1 .]" 1 152 1 20 VAL H 1 20 VAL MG1 3.500 . 4.000 2.742 2.293 3.311 . 0 0 "[ . 1 .]" 1 153 1 20 VAL MG1 1 21 GLU H 5.000 . 5.500 3.782 2.411 4.174 . 0 0 "[ . 1 .]" 1 154 1 20 VAL MG1 1 23 TYR QE 5.000 . 5.500 4.091 4.083 4.109 . 0 0 "[ . 1 .]" 1 155 1 20 VAL H 1 20 VAL MG2 3.500 . 4.000 2.158 1.817 3.343 . 0 0 "[ . 1 .]" 1 156 1 20 VAL MG2 1 21 GLU H 5.000 . 5.500 2.450 1.860 4.310 . 0 0 "[ . 1 .]" 1 157 1 21 GLU HA 1 24 LYS H 5.000 . 5.000 3.784 3.615 3.899 . 0 0 "[ . 1 .]" 1 158 1 21 GLU H 1 22 TYR H 3.500 . 3.500 2.780 2.674 2.883 . 0 0 "[ . 1 .]" 1 159 1 21 GLU H 1 23 TYR H 5.000 . 5.000 3.924 3.823 4.039 . 0 0 "[ . 1 .]" 1 160 1 21 GLU H 1 21 GLU QB 3.500 . 3.500 2.234 2.116 2.623 . 0 0 "[ . 1 .]" 1 161 1 21 GLU QB 1 22 TYR QD 5.000 . 5.000 3.820 3.643 3.975 . 0 0 "[ . 1 .]" 1 162 1 21 GLU H 1 21 GLU QG 3.500 . 3.500 2.702 1.919 3.008 . 0 0 "[ . 1 .]" 1 163 1 22 TYR HA 1 22 TYR QE 5.000 . 5.000 4.374 4.275 4.422 . 0 0 "[ . 1 .]" 1 164 1 22 TYR HA 1 23 TYR H 3.500 . 3.500 3.493 3.446 3.535 0.035 11 0 "[ . 1 .]" 1 165 1 22 TYR HA 1 25 ASN H 3.500 . 3.500 3.433 3.314 3.579 0.079 15 0 "[ . 1 .]" 1 166 1 22 TYR HA 1 25 ASN QD 5.000 . 5.000 3.247 2.111 4.468 . 0 0 "[ . 1 .]" 1 167 1 22 TYR HA 1 26 GLU H 5.000 . 5.000 4.466 4.208 4.738 . 0 0 "[ . 1 .]" 1 168 1 22 TYR H 1 23 TYR H 5.000 . 5.000 2.484 2.379 2.588 . 0 0 "[ . 1 .]" 1 169 1 22 TYR H 1 24 LYS H 5.000 . 5.000 4.230 4.131 4.377 . 0 0 "[ . 1 .]" 1 170 1 22 TYR QB 1 23 TYR HA 5.000 . 5.000 3.880 3.810 3.939 . 0 0 "[ . 1 .]" 1 171 1 22 TYR QB 1 23 TYR H 5.000 . 5.000 2.685 2.518 2.847 . 0 0 "[ . 1 .]" 1 172 1 22 TYR QD 1 25 ASN QB 5.000 . 5.000 3.613 3.268 3.969 . 0 0 "[ . 1 .]" 1 173 1 23 TYR H 1 24 LYS H 3.500 . 3.500 2.725 2.650 2.801 . 0 0 "[ . 1 .]" 1 174 1 23 TYR H 1 25 ASN H 5.000 . 5.000 3.885 3.798 3.994 . 0 0 "[ . 1 .]" 1 175 1 23 TYR H 1 25 ASN QB 5.000 . 5.000 4.469 4.381 4.522 . 0 0 "[ . 1 .]" 1 176 1 23 TYR H 1 26 GLU H 5.000 . 5.000 4.866 4.659 5.032 0.032 4 0 "[ . 1 .]" 1 177 1 23 TYR QB 1 24 LYS H 5.000 . 5.000 2.584 2.435 2.723 . 0 0 "[ . 1 .]" 1 178 1 23 TYR QB 1 126 ALA MB 5.000 . 5.500 3.246 2.654 3.970 . 0 0 "[ . 1 .]" 1 179 1 24 LYS HA 1 27 ILE H 5.000 . 5.000 3.266 3.064 3.557 . 0 0 "[ . 1 .]" 1 180 1 24 LYS HA 1 27 ILE MD 5.000 . 5.500 3.382 1.942 4.580 . 0 0 "[ . 1 .]" 1 181 1 24 LYS HA 1 173 LEU MD1 5.000 . 5.500 3.831 3.024 4.609 . 0 0 "[ . 1 .]" 1 182 1 24 LYS H 1 25 ASN H 3.500 . 3.500 2.581 2.444 2.699 . 0 0 "[ . 1 .]" 1 183 1 24 LYS H 1 26 GLU H 5.000 . 5.000 4.211 4.075 4.522 . 0 0 "[ . 1 .]" 1 184 1 24 LYS H 1 24 LYS QB 3.500 . 3.500 2.255 2.070 2.489 . 0 0 "[ . 1 .]" 1 185 1 24 LYS QB 1 25 ASN H 5.000 . 5.000 2.835 2.619 3.502 . 0 0 "[ . 1 .]" 1 186 1 24 LYS QB 1 28 ALA H 5.000 . 5.000 4.423 4.243 4.574 . 0 0 "[ . 1 .]" 1 187 1 24 LYS QG 1 173 LEU MD2 5.000 . 5.500 3.391 2.363 4.094 . 0 0 "[ . 1 .]" 1 188 1 25 ASN HA 1 28 ALA H 5.000 . 5.000 3.542 3.356 3.759 . 0 0 "[ . 1 .]" 1 189 1 25 ASN HA 1 28 ALA MB 5.000 . 5.500 2.530 2.227 2.860 . 0 0 "[ . 1 .]" 1 190 1 25 ASN H 1 26 GLU H 3.500 . 3.500 2.658 2.483 2.757 . 0 0 "[ . 1 .]" 1 191 1 25 ASN H 1 27 ILE H 5.000 . 5.000 4.110 3.956 4.352 . 0 0 "[ . 1 .]" 1 192 1 25 ASN H 1 27 ILE QG 5.000 . 5.500 4.726 4.136 4.929 . 0 0 "[ . 1 .]" 1 193 1 25 ASN H 1 25 ASN QB 3.500 . 3.500 2.084 2.038 2.245 . 0 0 "[ . 1 .]" 1 194 1 25 ASN QB 1 26 GLU H 5.000 . 5.000 2.715 2.518 2.878 . 0 0 "[ . 1 .]" 1 195 1 26 GLU HA 1 27 ILE H 5.000 . 5.000 3.523 3.477 3.568 . 0 0 "[ . 1 .]" 1 196 1 26 GLU HA 1 28 ALA H 5.000 . 5.000 4.392 4.075 4.775 . 0 0 "[ . 1 .]" 1 197 1 26 GLU H 1 27 ILE H 5.000 . 5.000 2.561 2.370 2.874 . 0 0 "[ . 1 .]" 1 198 1 26 GLU H 1 27 ILE QG 5.000 . 5.500 3.772 3.553 4.091 . 0 0 "[ . 1 .]" 1 199 1 26 GLU H 1 28 ALA H 5.000 . 5.000 3.954 3.742 4.339 . 0 0 "[ . 1 .]" 1 200 1 26 GLU H 1 28 ALA MB 5.000 . 5.500 4.598 4.452 4.685 . 0 0 "[ . 1 .]" 1 201 1 26 GLU H 1 30 LEU H 6.000 . 6.000 5.999 5.768 6.070 0.070 13 0 "[ . 1 .]" 1 202 1 26 GLU H 1 26 GLU QB 3.500 . 3.500 2.175 2.118 2.237 . 0 0 "[ . 1 .]" 1 203 1 26 GLU QB 1 27 ILE H 5.000 . 5.000 2.710 2.427 2.890 . 0 0 "[ . 1 .]" 1 204 1 26 GLU QB 1 30 LEU MD1 2.700 . 3.200 2.401 2.383 2.445 . 0 0 "[ . 1 .]" 1 205 1 27 ILE HA 1 27 ILE MG 3.300 . 3.800 2.253 2.115 2.466 . 0 0 "[ . 1 .]" 1 206 1 27 ILE HA 1 28 ALA H 5.000 . 5.000 3.498 3.429 3.590 . 0 0 "[ . 1 .]" 1 207 1 27 ILE HA 1 29 GLY H 5.000 . 5.000 4.266 3.869 5.004 0.004 9 0 "[ . 1 .]" 1 208 1 27 ILE HA 1 30 LEU H 5.000 . 5.000 3.446 3.222 4.143 . 0 0 "[ . 1 .]" 1 209 1 27 ILE HA 1 30 LEU MD1 5.000 . 5.500 1.780 1.658 1.870 0.142 9 0 "[ . 1 .]" 1 210 1 27 ILE HB 1 28 ALA H 5.000 . 5.000 2.795 2.292 3.994 . 0 0 "[ . 1 .]" 1 211 1 27 ILE H 1 28 ALA H 3.500 . 3.500 2.491 2.250 2.904 . 0 0 "[ . 1 .]" 1 212 1 27 ILE H 1 28 ALA MB 5.000 . 5.500 4.074 3.878 4.386 . 0 0 "[ . 1 .]" 1 213 1 27 ILE H 1 29 GLY H 5.000 . 5.000 3.956 3.688 4.323 . 0 0 "[ . 1 .]" 1 214 1 27 ILE H 1 30 LEU H 5.000 . 5.000 4.679 4.486 5.010 0.010 9 0 "[ . 1 .]" 1 215 1 27 ILE H 1 27 ILE MD 3.500 . 4.000 3.059 2.288 3.372 . 0 0 "[ . 1 .]" 1 216 1 27 ILE MD 1 27 ILE MG 3.500 . 4.500 1.983 1.694 2.481 0.106 9 0 "[ . 1 .]" 1 217 1 27 ILE MD 1 119 LEU MD1 5.000 . 6.000 3.194 1.923 4.145 . 0 0 "[ . 1 .]" 1 218 1 27 ILE MD 1 122 ILE MG 5.000 . 6.000 2.125 1.721 2.725 0.079 14 0 "[ . 1 .]" 1 219 1 27 ILE MD 1 123 THR HA 5.000 . 5.500 4.598 4.587 4.637 . 0 0 "[ . 1 .]" 1 220 1 27 ILE QG 1 28 ALA H 5.000 . 5.500 3.635 2.576 4.030 . 0 0 "[ . 1 .]" 1 221 1 27 ILE MG 1 28 ALA H 5.000 . 5.500 3.824 3.319 4.168 . 0 0 "[ . 1 .]" 1 222 1 27 ILE MG 1 30 LEU MD1 5.000 . 6.000 3.001 2.395 3.351 . 0 0 "[ . 1 .]" 1 223 1 27 ILE MG 1 119 LEU MD1 5.000 . 6.000 2.453 1.830 3.558 . 0 0 "[ . 1 .]" 1 224 1 27 ILE MG 1 122 ILE MG 5.000 . 6.000 4.021 1.859 4.194 . 0 0 "[ . 1 .]" 1 225 1 28 ALA H 1 29 GLY H 5.000 . 5.000 2.534 2.281 2.893 . 0 0 "[ . 1 .]" 1 226 1 28 ALA H 1 30 LEU H 5.000 . 5.000 3.934 3.688 4.302 . 0 0 "[ . 1 .]" 1 227 1 28 ALA MB 1 29 GLY H 5.000 . 5.500 2.761 2.452 2.980 . 0 0 "[ . 1 .]" 1 228 1 28 ALA MB 1 30 LEU H 5.000 . 5.500 4.454 4.187 4.668 . 0 0 "[ . 1 .]" 1 229 1 29 GLY H 1 30 LEU H 5.000 . 5.000 2.421 2.187 2.841 . 0 0 "[ . 1 .]" 1 230 1 29 GLY H 1 30 LEU QB 5.000 . 5.000 4.164 3.908 4.476 . 0 0 "[ . 1 .]" 1 231 1 29 GLY H 1 30 LEU MD1 5.000 . 5.500 4.465 3.475 4.625 . 0 0 "[ . 1 .]" 1 232 1 29 GLY QA 1 30 LEU H 5.000 . 5.000 2.929 2.792 2.963 . 0 0 "[ . 1 .]" 1 233 1 29 GLY QA 1 40 VAL H 5.000 . 5.000 4.511 4.127 4.600 . 0 0 "[ . 1 .]" 1 234 1 30 LEU HA 1 30 LEU MD2 3.300 . 3.800 3.109 2.853 3.213 . 0 0 "[ . 1 .]" 1 235 1 30 LEU HA 1 32 THR H 5.000 . 5.000 4.890 4.598 5.267 0.267 15 0 "[ . 1 .]" 1 236 1 30 LEU HG 1 118 LEU MD2 3.500 . 4.000 2.973 1.822 3.336 . 0 0 "[ . 1 .]" 1 237 1 30 LEU HG 1 122 ILE MD 5.000 . 5.500 4.243 3.296 4.633 . 0 0 "[ . 1 .]" 1 238 1 30 LEU H 1 31 ARG HA 6.000 . 6.000 5.621 4.921 5.767 . 0 0 "[ . 1 .]" 1 239 1 30 LEU H 1 31 ARG H 5.000 . 5.000 4.597 4.152 4.659 . 0 0 "[ . 1 .]" 1 240 1 30 LEU H 1 39 LEU QB 5.000 . 5.000 4.370 4.018 4.535 . 0 0 "[ . 1 .]" 1 241 1 30 LEU H 1 30 LEU QB 3.500 . 3.500 2.102 2.026 2.586 . 0 0 "[ . 1 .]" 1 242 1 30 LEU QB 1 31 ARG H 5.000 . 5.000 3.053 2.653 3.511 . 0 0 "[ . 1 .]" 1 243 1 30 LEU QB 1 115 LEU MD1 3.300 . 3.800 2.845 2.824 2.863 . 0 0 "[ . 1 .]" 1 244 1 30 LEU H 1 30 LEU MD1 3.500 . 4.000 3.240 1.953 3.391 . 0 0 "[ . 1 .]" 1 245 1 30 LEU MD2 1 31 ARG H 3.500 . 4.000 2.750 2.212 3.347 . 0 0 "[ . 1 .]" 1 246 1 30 LEU MD2 1 122 ILE MD 5.000 . 6.000 3.486 2.350 4.198 . 0 0 "[ . 1 .]" 1 247 1 31 ARG H 1 31 ARG HA 2.900 . 2.900 2.837 2.713 2.903 0.003 6 0 "[ . 1 .]" 1 248 1 31 ARG HA 1 31 ARG QD 3.300 . 3.300 2.751 2.179 3.003 . 0 0 "[ . 1 .]" 1 249 1 31 ARG HA 1 32 THR H 2.900 . 2.900 2.428 2.264 3.210 0.310 15 0 "[ . 1 .]" 1 250 1 31 ARG HA 1 39 LEU HG 6.000 . 6.000 5.900 5.111 6.256 0.256 15 0 "[ . 1 .]" 1 251 1 31 ARG HA 1 39 LEU MD1 5.000 . 5.500 3.437 2.768 4.610 . 0 0 "[ . 1 .]" 1 252 1 31 ARG HA 1 39 LEU MD2 6.000 . 6.500 4.694 3.814 5.435 . 0 0 "[ . 1 .]" 1 253 1 31 ARG H 1 31 ARG QB 3.500 . 3.500 2.389 2.054 3.018 . 0 0 "[ . 1 .]" 1 254 1 31 ARG QB 1 31 ARG QD 3.300 . 3.300 2.289 2.102 2.625 . 0 0 "[ . 1 .]" 1 255 1 31 ARG QD 1 115 LEU MD1 5.000 . 5.500 4.087 3.872 4.160 . 0 0 "[ . 1 .]" 1 256 1 32 THR HA 1 32 THR MG 3.300 . 3.800 2.256 2.113 2.398 . 0 0 "[ . 1 .]" 1 257 1 32 THR HA 1 33 SER H 2.900 . 2.900 2.315 2.141 2.541 . 0 0 "[ . 1 .]" 1 258 1 32 THR HA 1 115 LEU MD1 5.000 . 5.500 2.437 1.847 3.272 . 0 0 "[ . 1 .]" 1 259 1 32 THR H 1 32 THR HB 3.500 . 3.500 2.713 2.544 3.047 . 0 0 "[ . 1 .]" 1 260 1 32 THR HB 1 34 ARG H 5.000 . 5.000 2.775 2.319 3.164 . 0 0 "[ . 1 .]" 1 261 1 32 THR H 1 33 SER H 6.000 . 6.000 4.557 4.393 4.624 . 0 0 "[ . 1 .]" 1 262 1 32 THR H 1 34 ARG H 5.000 . 5.000 4.634 3.494 5.034 0.034 1 0 "[ . 1 .]" 1 263 1 32 THR H 1 39 LEU HG 6.000 . 6.000 5.665 4.810 6.035 0.035 11 0 "[ . 1 .]" 1 264 1 32 THR H 1 39 LEU MD2 5.000 . 5.500 3.639 2.969 4.545 . 0 0 "[ . 1 .]" 1 265 1 32 THR MG 1 33 SER H 5.000 . 5.500 2.109 1.861 2.773 . 0 0 "[ . 1 .]" 1 266 1 32 THR MG 1 34 ARG H 5.000 . 5.500 2.234 1.883 3.918 . 0 0 "[ . 1 .]" 1 267 1 32 THR MG 1 107 LEU MD1 5.000 . 6.000 3.942 2.834 4.183 . 0 0 "[ . 1 .]" 1 268 1 33 SER HA 1 35 ALA H 6.000 . 6.000 6.026 5.808 6.119 0.119 15 0 "[ . 1 .]" 1 269 1 33 SER HA 1 104 LEU QB 6.000 . 6.000 3.674 2.809 5.116 . 0 0 "[ . 1 .]" 1 270 1 33 SER HA 1 104 LEU MD2 5.000 . 5.500 2.820 1.905 4.227 . 0 0 "[ . 1 .]" 1 271 1 33 SER HA 1 115 LEU MD2 5.000 . 5.500 4.255 3.553 4.622 . 0 0 "[ . 1 .]" 1 272 1 33 SER H 1 34 ARG H 6.000 . 6.000 2.709 2.565 3.358 . 0 0 "[ . 1 .]" 1 273 1 33 SER H 1 33 SER QB 3.500 . 3.500 2.361 2.062 2.977 . 0 0 "[ . 1 .]" 1 274 1 33 SER QB 1 34 ARG H 5.000 . 5.000 3.541 3.088 3.911 . 0 0 "[ . 1 .]" 1 275 1 34 ARG HA 1 35 ALA H 3.500 . 3.500 2.208 2.146 2.271 . 0 0 "[ . 1 .]" 1 276 1 34 ARG H 1 36 SER H 5.000 . 5.000 4.812 4.235 5.020 0.020 7 0 "[ . 1 .]" 1 277 1 34 ARG H 1 104 LEU MD2 5.000 . 5.500 3.834 2.742 4.583 . 0 0 "[ . 1 .]" 1 278 1 34 ARG H 1 34 ARG QB 3.500 . 3.500 2.321 2.085 2.785 . 0 0 "[ . 1 .]" 1 279 1 34 ARG QB 1 35 ALA H 5.000 . 5.000 3.473 2.919 3.724 . 0 0 "[ . 1 .]" 1 280 1 34 ARG QB 1 36 SER H 5.000 . 5.000 3.620 2.815 4.173 . 0 0 "[ . 1 .]" 1 281 1 34 ARG QG 1 35 ALA H 5.000 . 5.000 2.555 1.954 4.197 . 0 0 "[ . 1 .]" 1 282 1 34 ARG QG 1 36 SER H 5.000 . 5.000 3.985 3.353 4.458 . 0 0 "[ . 1 .]" 1 283 1 35 ALA HA 1 36 SER H 2.900 . 2.900 2.427 2.270 2.667 . 0 0 "[ . 1 .]" 1 284 1 35 ALA HA 1 68 ILE MD 5.000 . 5.500 2.052 1.894 2.607 . 0 0 "[ . 1 .]" 1 285 1 35 ALA HA 1 104 LEU MD1 5.000 . 5.500 2.830 1.901 3.176 . 0 0 "[ . 1 .]" 1 286 1 35 ALA H 1 36 SER HA 5.000 . 5.000 5.074 4.816 5.204 0.204 13 0 "[ . 1 .]" 1 287 1 35 ALA H 1 104 LEU MD1 5.000 . 5.500 4.324 3.477 4.616 . 0 0 "[ . 1 .]" 1 288 1 35 ALA MB 1 36 SER H 5.000 . 5.500 3.673 3.607 3.715 . 0 0 "[ . 1 .]" 1 289 1 35 ALA MB 1 62 VAL MG1 5.000 . 6.000 2.537 1.878 3.115 . 0 0 "[ . 1 .]" 1 290 1 35 ALA MB 1 62 VAL MG2 5.000 . 6.000 2.983 2.263 3.609 . 0 0 "[ . 1 .]" 1 291 1 35 ALA MB 1 66 ASN HA 5.000 . 5.500 2.272 1.983 2.769 . 0 0 "[ . 1 .]" 1 292 1 35 ALA MB 1 67 GLN H 5.000 . 5.500 2.227 1.892 2.840 . 0 0 "[ . 1 .]" 1 293 1 35 ALA MB 1 68 ILE MD 5.000 . 6.000 2.912 2.598 3.362 . 0 0 "[ . 1 .]" 1 294 1 35 ALA MB 1 68 ILE QG 5.000 . 6.000 1.825 1.682 2.292 0.118 7 0 "[ . 1 .]" 1 295 1 35 ALA MB 1 68 ILE MG 6.000 . 7.000 3.708 3.272 4.024 . 0 0 "[ . 1 .]" 1 296 1 35 ALA MB 1 104 LEU MD1 3.500 . 4.500 2.672 2.025 3.079 . 0 0 "[ . 1 .]" 1 297 1 35 ALA MB 1 104 LEU MD2 5.000 . 6.000 3.424 1.910 4.166 . 0 0 "[ . 1 .]" 1 298 1 36 SER HA 1 37 THR MG 5.000 . 5.500 3.719 3.521 3.992 . 0 0 "[ . 1 .]" 1 299 1 36 SER HA 1 62 VAL MG1 5.000 . 5.500 4.291 3.850 4.608 . 0 0 "[ . 1 .]" 1 300 1 36 SER HA 1 62 VAL MG2 5.000 . 5.500 3.041 2.253 3.761 . 0 0 "[ . 1 .]" 1 301 1 36 SER HA 1 68 ILE MD 5.000 . 5.500 3.899 3.414 4.550 . 0 0 "[ . 1 .]" 1 302 1 36 SER H 1 39 LEU MD2 5.000 . 5.500 2.114 1.784 3.038 0.016 9 0 "[ . 1 .]" 1 303 1 36 SER H 1 68 ILE MG 5.000 . 5.500 4.529 3.933 4.675 . 0 0 "[ . 1 .]" 1 304 1 36 SER QB 1 37 THR H 5.000 . 5.000 3.065 2.669 3.455 . 0 0 "[ . 1 .]" 1 305 1 36 SER QB 1 38 ALA H 3.500 . 3.500 2.649 2.374 3.151 . 0 0 "[ . 1 .]" 1 306 1 36 SER QB 1 38 ALA MB 5.000 . 5.500 3.048 2.665 3.774 . 0 0 "[ . 1 .]" 1 307 1 36 SER QB 1 39 LEU H 3.500 . 3.500 2.897 2.765 3.082 . 0 0 "[ . 1 .]" 1 308 1 36 SER QB 1 39 LEU MD1 6.000 . 6.500 4.057 3.466 4.416 . 0 0 "[ . 1 .]" 1 309 1 36 SER QB 1 39 LEU MD2 5.000 . 5.500 1.839 1.702 2.003 0.098 9 0 "[ . 1 .]" 1 310 1 37 THR HA 1 37 THR MG 3.300 . 3.800 2.360 2.196 2.496 . 0 0 "[ . 1 .]" 1 311 1 37 THR HA 1 38 ALA H 5.000 . 5.000 3.476 3.411 3.589 . 0 0 "[ . 1 .]" 1 312 1 37 THR HA 1 68 ILE MD 5.000 . 5.500 3.495 3.228 3.868 . 0 0 "[ . 1 .]" 1 313 1 37 THR HB 1 60 ILE MG 5.000 . 5.500 4.572 4.313 4.604 . 0 0 "[ . 1 .]" 1 314 1 37 THR H 1 38 ALA H 5.000 . 5.000 2.604 2.531 2.750 . 0 0 "[ . 1 .]" 1 315 1 37 THR H 1 38 ALA MB 5.000 . 5.500 4.228 4.140 4.416 . 0 0 "[ . 1 .]" 1 316 1 37 THR H 1 68 ILE MG 5.000 . 5.500 4.029 3.629 4.304 . 0 0 "[ . 1 .]" 1 317 1 37 THR H 1 37 THR MG 3.500 . 4.000 2.411 2.180 2.720 . 0 0 "[ . 1 .]" 1 318 1 37 THR MG 1 38 ALA H 5.000 . 5.500 4.095 3.941 4.297 . 0 0 "[ . 1 .]" 1 319 1 37 THR MG 1 60 ILE HB 3.300 . 3.800 2.935 2.351 3.130 . 0 0 "[ . 1 .]" 1 320 1 37 THR MG 1 60 ILE MG 5.000 . 6.000 4.070 3.283 4.170 . 0 0 "[ . 1 .]" 1 321 1 37 THR MG 1 61 SER HA 5.000 . 5.500 3.157 2.312 4.070 . 0 0 "[ . 1 .]" 1 322 1 37 THR MG 1 61 SER H 5.000 . 5.500 4.106 3.246 4.591 . 0 0 "[ . 1 .]" 1 323 1 37 THR MG 1 62 VAL H 5.000 . 5.500 3.744 2.909 4.580 . 0 0 "[ . 1 .]" 1 324 1 37 THR MG 1 62 VAL MG2 5.000 . 6.000 2.163 1.645 2.877 0.155 15 0 "[ . 1 .]" 1 325 1 37 THR MG 1 68 ILE MD 5.000 . 6.000 4.049 3.301 4.187 . 0 0 "[ . 1 .]" 1 326 1 38 ALA HA 1 39 LEU MD2 5.000 . 5.500 4.629 4.606 4.654 . 0 0 "[ . 1 .]" 1 327 1 38 ALA H 1 39 LEU HG 5.000 . 5.000 4.425 3.922 5.072 0.072 9 0 "[ . 1 .]" 1 328 1 38 ALA H 1 39 LEU H 5.000 . 5.000 2.938 2.866 3.006 . 0 0 "[ . 1 .]" 1 329 1 38 ALA H 1 68 ILE MG 6.000 . 6.500 5.390 5.244 5.459 . 0 0 "[ . 1 .]" 1 330 1 38 ALA H 1 38 ALA MB 2.900 . 3.400 2.164 2.079 2.222 . 0 0 "[ . 1 .]" 1 331 1 38 ALA MB 1 39 LEU H 3.500 . 4.000 2.330 2.240 2.443 . 0 0 "[ . 1 .]" 1 332 1 39 LEU HG 1 40 VAL HA 5.000 . 5.000 4.232 3.348 4.945 . 0 0 "[ . 1 .]" 1 333 1 39 LEU HG 1 43 ILE MD 6.000 . 6.500 5.437 5.253 5.486 . 0 0 "[ . 1 .]" 1 334 1 39 LEU H 1 40 VAL H 6.000 . 6.000 3.148 2.969 3.263 . 0 0 "[ . 1 .]" 1 335 1 39 LEU H 1 40 VAL MG2 5.000 . 5.500 4.147 3.906 4.402 . 0 0 "[ . 1 .]" 1 336 1 39 LEU H 1 41 GLU H 6.000 . 6.000 5.770 4.861 6.227 0.227 14 0 "[ . 1 .]" 1 337 1 39 LEU H 1 39 LEU QB 3.500 . 3.500 2.683 2.463 2.910 . 0 0 "[ . 1 .]" 1 338 1 39 LEU QB 1 40 VAL H 5.000 . 5.000 3.210 2.971 3.589 . 0 0 "[ . 1 .]" 1 339 1 39 LEU MD1 1 40 VAL MG2 3.300 . 4.300 2.878 2.316 3.015 . 0 0 "[ . 1 .]" 1 340 1 39 LEU MD1 1 68 ILE MD 5.000 . 6.000 2.664 1.813 3.311 . 0 0 "[ . 1 .]" 1 341 1 39 LEU MD1 1 89 LEU MD1 5.000 . 6.000 2.259 1.839 3.194 . 0 0 "[ . 1 .]" 1 342 1 39 LEU MD1 1 104 LEU MD1 5.000 . 6.000 3.904 3.315 4.203 . 0 0 "[ . 1 .]" 1 343 1 39 LEU H 1 39 LEU MD2 3.500 . 4.000 1.936 1.732 2.444 0.068 14 0 "[ . 1 .]" 1 344 1 39 LEU MD2 1 68 ILE MD 5.000 . 6.000 2.711 1.830 3.592 . 0 0 "[ . 1 .]" 1 345 1 39 LEU MD2 1 89 LEU MD1 5.000 . 6.000 4.173 4.154 4.195 . 0 0 "[ . 1 .]" 1 346 1 40 VAL HA 1 40 VAL MG1 3.300 . 3.800 2.145 1.959 2.257 . 0 0 "[ . 1 .]" 1 347 1 40 VAL HA 1 42 GLU H 5.000 . 5.000 3.688 3.102 5.071 0.071 10 0 "[ . 1 .]" 1 348 1 40 VAL HA 1 43 ILE MD 5.000 . 5.500 3.730 3.080 4.254 . 0 0 "[ . 1 .]" 1 349 1 40 VAL H 1 40 VAL HB 3.500 . 3.500 3.304 2.812 3.556 0.056 4 0 "[ . 1 .]" 1 350 1 40 VAL HB 1 41 GLU H 3.500 . 3.500 2.086 1.704 3.626 0.126 14 0 "[ . 1 .]" 1 351 1 40 VAL HB 1 42 GLU H 3.500 . 3.500 3.167 2.345 3.563 0.063 4 0 "[ . 1 .]" 1 352 1 40 VAL H 1 41 GLU H 5.000 . 5.000 3.373 2.886 4.128 . 0 0 "[ . 1 .]" 1 353 1 40 VAL MG1 1 41 GLU H 3.500 . 4.000 3.405 3.148 3.490 . 0 0 "[ . 1 .]" 1 354 1 40 VAL MG1 1 42 GLU H 5.000 . 5.500 3.509 2.769 4.178 . 0 0 "[ . 1 .]" 1 355 1 40 VAL MG1 1 43 ILE MD 5.000 . 6.000 1.745 1.643 1.959 0.157 5 0 "[ . 1 .]" 1 356 1 40 VAL MG1 1 70 ILE MD 5.000 . 6.000 4.186 4.169 4.206 . 0 0 "[ . 1 .]" 1 357 1 40 VAL H 1 40 VAL MG2 3.500 . 4.000 1.893 1.812 2.010 . 0 0 "[ . 1 .]" 1 358 1 40 VAL MG2 1 60 ILE MD 5.000 . 6.000 4.152 3.928 4.187 . 0 0 "[ . 1 .]" 1 359 1 40 VAL MG2 1 68 ILE MG 5.000 . 6.000 3.455 3.150 3.845 . 0 0 "[ . 1 .]" 1 360 1 40 VAL MG2 1 70 ILE MD 5.000 . 6.000 3.474 2.662 3.968 . 0 0 "[ . 1 .]" 1 361 1 41 GLU HA 1 42 GLU H 5.000 . 5.000 3.403 3.162 3.541 . 0 0 "[ . 1 .]" 1 362 1 41 GLU HA 1 43 ILE H 5.000 . 5.000 4.424 3.728 5.114 0.114 9 0 "[ . 1 .]" 1 363 1 41 GLU H 1 42 GLU HA 5.000 . 5.000 4.870 4.081 5.220 0.220 11 0 "[ . 1 .]" 1 364 1 41 GLU H 1 42 GLU H 5.000 . 5.000 2.804 2.017 3.284 . 0 0 "[ . 1 .]" 1 365 1 41 GLU H 1 43 ILE MD 5.000 . 5.500 3.448 2.841 4.589 . 0 0 "[ . 1 .]" 1 366 1 41 GLU QB 1 42 GLU H 5.000 . 5.000 2.982 2.023 3.895 . 0 0 "[ . 1 .]" 1 367 1 42 GLU HA 1 43 ILE H 5.000 . 5.000 2.851 2.289 3.455 . 0 0 "[ . 1 .]" 1 368 1 42 GLU HA 1 53 PRO QB 3.300 . 3.300 2.657 1.819 2.982 . 0 0 "[ . 1 .]" 1 369 1 42 GLU HA 1 53 PRO QG 5.000 . 5.000 3.888 2.593 4.462 . 0 0 "[ . 1 .]" 1 370 1 42 GLU H 1 43 ILE H 3.500 . 3.500 2.558 1.662 3.415 0.138 9 0 "[ . 1 .]" 1 371 1 42 GLU H 1 43 ILE MD 5.000 . 5.500 3.485 2.166 4.604 . 0 0 "[ . 1 .]" 1 372 1 42 GLU H 1 43 ILE QG 3.500 . 4.000 3.429 3.039 3.613 . 0 0 "[ . 1 .]" 1 373 1 42 GLU H 1 42 GLU QB 3.500 . 3.500 2.758 2.327 3.119 . 0 0 "[ . 1 .]" 1 374 1 42 GLU QB 1 43 ILE H 5.000 . 5.000 3.761 3.175 4.017 . 0 0 "[ . 1 .]" 1 375 1 42 GLU QB 1 44 LYS H 5.000 . 5.000 3.715 2.921 4.325 . 0 0 "[ . 1 .]" 1 376 1 43 ILE HA 1 43 ILE MD 3.300 . 3.800 2.541 1.995 3.235 . 0 0 "[ . 1 .]" 1 377 1 43 ILE HA 1 43 ILE QG 3.300 . 3.800 2.871 2.312 3.133 . 0 0 "[ . 1 .]" 1 378 1 43 ILE HA 1 43 ILE MG 3.300 . 3.800 2.248 2.127 2.433 . 0 0 "[ . 1 .]" 1 379 1 43 ILE HA 1 44 LYS H 2.900 . 2.900 2.506 2.221 2.902 0.002 4 0 "[ . 1 .]" 1 380 1 43 ILE H 1 44 LYS H 5.000 . 5.000 3.573 2.928 4.191 . 0 0 "[ . 1 .]" 1 381 1 43 ILE H 1 54 ILE H 6.000 . 6.000 4.067 3.078 5.715 . 0 0 "[ . 1 .]" 1 382 1 43 ILE H 1 54 ILE QG 5.000 . 5.500 3.992 2.638 4.914 . 0 0 "[ . 1 .]" 1 383 1 43 ILE H 1 43 ILE MD 3.500 . 4.000 3.002 2.204 3.400 . 0 0 "[ . 1 .]" 1 384 1 43 ILE MD 1 43 ILE MG 3.500 . 4.500 2.080 1.815 3.163 . 0 0 "[ . 1 .]" 1 385 1 43 ILE MD 1 85 ILE MD 3.300 . 4.300 2.464 1.832 2.987 . 0 0 "[ . 1 .]" 1 386 1 43 ILE MD 1 89 LEU MD1 5.000 . 6.000 3.431 3.089 3.815 . 0 0 "[ . 1 .]" 1 387 1 43 ILE H 1 43 ILE QG 3.500 . 4.000 2.043 1.639 2.789 0.161 2 0 "[ . 1 .]" 1 388 1 43 ILE QG 1 44 LYS H 5.000 . 5.500 4.668 4.376 4.921 . 0 0 "[ . 1 .]" 1 389 1 43 ILE MG 1 44 LYS H 5.000 . 5.500 3.855 3.369 4.194 . 0 0 "[ . 1 .]" 1 390 1 43 ILE MG 1 45 VAL MG2 5.000 . 6.000 4.168 4.162 4.177 . 0 0 "[ . 1 .]" 1 391 1 43 ILE MG 1 60 ILE MG 5.000 . 6.000 4.117 3.596 4.194 . 0 0 "[ . 1 .]" 1 392 1 43 ILE MG 1 84 ALA MB 5.000 . 6.000 2.236 1.908 2.513 . 0 0 "[ . 1 .]" 1 393 1 44 LYS HA 1 45 VAL H 3.500 . 3.500 2.199 2.123 2.350 . 0 0 "[ . 1 .]" 1 394 1 44 LYS HA 1 45 VAL MG1 5.000 . 5.500 3.850 3.717 3.965 . 0 0 "[ . 1 .]" 1 395 1 44 LYS HA 1 52 VAL H 5.000 . 5.000 3.746 3.274 4.106 . 0 0 "[ . 1 .]" 1 396 1 44 LYS HA 1 53 PRO HA 5.000 . 5.000 2.902 2.177 3.421 . 0 0 "[ . 1 .]" 1 397 1 44 LYS H 1 45 VAL H 6.000 . 6.000 4.268 3.811 4.473 . 0 0 "[ . 1 .]" 1 398 1 44 LYS QB 1 45 VAL H 5.000 . 5.000 3.734 3.535 3.977 . 0 0 "[ . 1 .]" 1 399 1 44 LYS QB 1 52 VAL H 6.000 . 6.000 4.607 3.813 5.262 . 0 0 "[ . 1 .]" 1 400 1 44 LYS QG 1 52 VAL H 5.000 . 5.000 4.013 2.956 4.462 . 0 0 "[ . 1 .]" 1 401 1 44 LYS QG 1 53 PRO HA 5.000 . 5.000 4.148 3.310 4.471 . 0 0 "[ . 1 .]" 1 402 1 45 VAL HA 1 45 VAL MG2 3.300 . 3.800 2.415 2.229 2.498 . 0 0 "[ . 1 .]" 1 403 1 45 VAL HA 1 46 GLU HA 5.000 . 5.000 4.342 4.326 4.362 . 0 0 "[ . 1 .]" 1 404 1 45 VAL HB 1 80 ALA MB 5.000 . 5.500 3.476 3.167 3.920 . 0 0 "[ . 1 .]" 1 405 1 45 VAL H 1 46 GLU H 5.000 . 5.000 4.453 4.358 4.505 . 0 0 "[ . 1 .]" 1 406 1 45 VAL H 1 51 LYS HA 5.000 . 5.000 4.299 3.656 4.992 . 0 0 "[ . 1 .]" 1 407 1 45 VAL H 1 52 VAL H 3.500 . 3.500 2.963 2.375 3.539 0.039 4 0 "[ . 1 .]" 1 408 1 45 VAL H 1 52 VAL MG2 5.000 . 5.500 4.165 3.819 4.584 . 0 0 "[ . 1 .]" 1 409 1 45 VAL H 1 54 ILE H 5.000 . 5.000 4.823 3.783 5.049 0.049 10 0 "[ . 1 .]" 1 410 1 45 VAL H 1 45 VAL MG1 3.500 . 4.000 2.090 1.916 2.261 . 0 0 "[ . 1 .]" 1 411 1 45 VAL MG1 1 52 VAL H 5.000 . 5.500 3.152 2.105 3.655 . 0 0 "[ . 1 .]" 1 412 1 45 VAL MG1 1 54 ILE MG 5.000 . 6.000 3.919 3.521 4.174 . 0 0 "[ . 1 .]" 1 413 1 45 VAL MG1 1 57 LEU MD1 5.000 . 6.000 2.541 2.236 2.894 . 0 0 "[ . 1 .]" 1 414 1 45 VAL MG1 1 77 ALA MB 3.500 . 4.500 2.747 2.324 3.021 . 0 0 "[ . 1 .]" 1 415 1 45 VAL MG1 1 80 ALA MB 5.000 . 6.000 3.814 3.696 4.150 . 0 0 "[ . 1 .]" 1 416 1 45 VAL MG2 1 46 GLU H 3.500 . 4.000 2.328 2.124 2.536 . 0 0 "[ . 1 .]" 1 417 1 45 VAL MG2 1 54 ILE MD 5.000 . 6.000 3.145 2.532 4.018 . 0 0 "[ . 1 .]" 1 418 1 45 VAL MG2 1 57 LEU HG 5.000 . 5.500 3.778 3.372 4.345 . 0 0 "[ . 1 .]" 1 419 1 45 VAL MG2 1 57 LEU MD1 3.300 . 4.300 2.989 2.981 3.001 . 0 0 "[ . 1 .]" 1 420 1 45 VAL MG2 1 77 ALA H 5.000 . 5.500 4.472 4.119 4.609 . 0 0 "[ . 1 .]" 1 421 1 45 VAL MG2 1 78 VAL H 5.000 . 5.500 4.536 4.435 4.618 . 0 0 "[ . 1 .]" 1 422 1 45 VAL MG2 1 80 ALA H 5.000 . 5.500 3.480 3.263 3.774 . 0 0 "[ . 1 .]" 1 423 1 45 VAL MG2 1 81 ILE MG 5.000 . 6.000 3.974 3.597 4.176 . 0 0 "[ . 1 .]" 1 424 1 45 VAL MG2 1 84 ALA MB 5.000 . 6.000 3.987 3.505 4.179 . 0 0 "[ . 1 .]" 1 425 1 46 GLU HA 1 46 GLU QG 3.300 . 3.300 2.302 2.041 2.541 . 0 0 "[ . 1 .]" 1 426 1 46 GLU HA 1 47 TYR H 2.900 . 2.900 2.155 2.131 2.190 . 0 0 "[ . 1 .]" 1 427 1 46 GLU HA 1 48 TYR H 6.000 . 6.000 5.432 5.271 5.716 . 0 0 "[ . 1 .]" 1 428 1 46 GLU HA 1 50 SER H 5.000 . 5.000 3.735 3.541 3.917 . 0 0 "[ . 1 .]" 1 429 1 46 GLU HA 1 51 LYS HA 5.000 . 5.000 2.822 2.512 3.048 . 0 0 "[ . 1 .]" 1 430 1 46 GLU HA 1 51 LYS H 5.000 . 5.000 4.756 4.395 4.990 . 0 0 "[ . 1 .]" 1 431 1 46 GLU H 1 47 TYR H 5.000 . 5.000 4.508 4.295 4.594 . 0 0 "[ . 1 .]" 1 432 1 46 GLU H 1 52 VAL H 5.000 . 5.000 4.966 4.824 5.016 0.016 11 0 "[ . 1 .]" 1 433 1 46 GLU H 1 80 ALA HA 5.000 . 5.000 4.212 3.922 4.690 . 0 0 "[ . 1 .]" 1 434 1 46 GLU H 1 80 ALA MB 5.000 . 5.500 1.945 1.811 2.347 . 0 0 "[ . 1 .]" 1 435 1 46 GLU H 1 46 GLU QB 3.500 . 3.500 2.269 2.078 2.486 . 0 0 "[ . 1 .]" 1 436 1 46 GLU QB 1 47 TYR H 5.000 . 5.000 3.274 2.975 3.628 . 0 0 "[ . 1 .]" 1 437 1 46 GLU QB 1 49 GLY H 5.000 . 5.000 3.560 3.320 3.916 . 0 0 "[ . 1 .]" 1 438 1 46 GLU QB 1 50 SER H 5.000 . 5.000 4.082 3.720 4.429 . 0 0 "[ . 1 .]" 1 439 1 46 GLU QG 1 47 TYR H 5.000 . 5.000 3.943 2.822 4.287 . 0 0 "[ . 1 .]" 1 440 1 47 TYR HA 1 47 TYR QE 5.000 . 5.000 4.368 4.281 4.461 . 0 0 "[ . 1 .]" 1 441 1 47 TYR HA 1 49 GLY H 5.000 . 5.000 3.905 3.651 4.151 . 0 0 "[ . 1 .]" 1 442 1 47 TYR H 1 48 TYR H 6.000 . 6.000 3.895 3.729 4.147 . 0 0 "[ . 1 .]" 1 443 1 47 TYR H 1 49 GLY H 6.000 . 6.000 3.450 3.237 3.745 . 0 0 "[ . 1 .]" 1 444 1 47 TYR H 1 50 SER HA 5.000 . 5.000 4.361 4.233 4.470 . 0 0 "[ . 1 .]" 1 445 1 47 TYR H 1 50 SER H 5.000 . 5.000 2.320 2.140 2.564 . 0 0 "[ . 1 .]" 1 446 1 47 TYR H 1 50 SER QB 5.000 . 5.000 3.504 3.076 3.987 . 0 0 "[ . 1 .]" 1 447 1 47 TYR H 1 47 TYR QB 3.500 . 3.500 2.622 2.487 2.690 . 0 0 "[ . 1 .]" 1 448 1 47 TYR QB 1 48 TYR H 5.000 . 5.000 3.951 3.859 3.986 . 0 0 "[ . 1 .]" 1 449 1 47 TYR QB 1 50 SER H 5.000 . 5.000 3.789 3.653 4.011 . 0 0 "[ . 1 .]" 1 450 1 47 TYR QD 1 52 VAL MG2 5.000 . 5.500 3.314 2.630 3.878 . 0 0 "[ . 1 .]" 1 451 1 47 TYR QD 1 77 ALA MB 5.000 . 5.500 3.121 2.357 3.776 . 0 0 "[ . 1 .]" 1 452 1 47 TYR QE 1 57 LEU MD2 5.000 . 5.500 3.734 2.801 4.081 . 0 0 "[ . 1 .]" 1 453 1 48 TYR H 1 49 GLY H 5.000 . 5.000 2.652 2.619 2.777 . 0 0 "[ . 1 .]" 1 454 1 48 TYR H 1 49 GLY QA 6.000 . 6.000 4.556 4.526 4.670 . 0 0 "[ . 1 .]" 1 455 1 48 TYR H 1 50 SER H 6.000 . 6.000 3.998 3.932 4.074 . 0 0 "[ . 1 .]" 1 456 1 48 TYR QB 1 49 GLY H 5.000 . 5.000 3.791 3.751 3.857 . 0 0 "[ . 1 .]" 1 457 1 49 GLY H 1 50 SER H 5.000 . 5.000 2.343 2.278 2.451 . 0 0 "[ . 1 .]" 1 458 1 49 GLY H 1 50 SER QB 5.000 . 5.000 4.407 4.305 4.459 . 0 0 "[ . 1 .]" 1 459 1 49 GLY QA 1 50 SER H 5.000 . 5.000 2.864 2.855 2.892 . 0 0 "[ . 1 .]" 1 460 1 50 SER HA 1 51 LYS H 5.000 . 5.000 2.237 2.172 2.368 . 0 0 "[ . 1 .]" 1 461 1 50 SER HA 1 52 VAL H 6.000 . 6.000 5.773 5.691 5.933 . 0 0 "[ . 1 .]" 1 462 1 50 SER H 1 51 LYS HA 5.000 . 5.000 4.802 4.736 4.865 . 0 0 "[ . 1 .]" 1 463 1 50 SER H 1 52 VAL H 6.000 . 6.000 5.814 5.663 6.006 0.006 13 0 "[ . 1 .]" 1 464 1 50 SER H 1 50 SER QB 2.900 . 2.900 2.528 2.481 2.598 . 0 0 "[ . 1 .]" 1 465 1 50 SER QB 1 51 LYS H 3.500 . 3.500 3.025 2.630 3.129 . 0 0 "[ . 1 .]" 1 466 1 50 SER QB 1 52 VAL MG2 5.000 . 5.500 2.727 2.511 3.735 . 0 0 "[ . 1 .]" 1 467 1 51 LYS HA 1 51 LYS QG 3.300 . 3.300 2.501 2.269 3.055 . 0 0 "[ . 1 .]" 1 468 1 51 LYS H 1 52 VAL HA 6.000 . 6.000 5.273 5.153 5.345 . 0 0 "[ . 1 .]" 1 469 1 51 LYS H 1 51 LYS QB 3.500 . 3.500 2.438 2.149 2.618 . 0 0 "[ . 1 .]" 1 470 1 51 LYS QB 1 52 VAL H 5.000 . 5.000 3.457 3.292 3.579 . 0 0 "[ . 1 .]" 1 471 1 51 LYS H 1 51 LYS QG 3.500 . 3.500 2.678 2.197 3.162 . 0 0 "[ . 1 .]" 1 472 1 51 LYS QG 1 52 VAL H 5.000 . 5.000 4.213 3.297 4.461 . 0 0 "[ . 1 .]" 1 473 1 52 VAL HA 1 52 VAL MG1 3.300 . 3.800 2.043 1.952 2.344 . 0 0 "[ . 1 .]" 1 474 1 52 VAL H 1 52 VAL HB 3.500 . 3.500 3.485 2.797 3.580 0.080 9 0 "[ . 1 .]" 1 475 1 52 VAL H 1 52 VAL MG2 3.500 . 4.000 2.199 2.037 2.774 . 0 0 "[ . 1 .]" 1 476 1 52 VAL MG2 1 57 LEU HG 5.000 . 5.500 3.631 2.804 4.174 . 0 0 "[ . 1 .]" 1 477 1 52 VAL MG2 1 57 LEU MD1 5.000 . 6.000 4.030 3.290 4.169 . 0 0 "[ . 1 .]" 1 478 1 53 PRO HA 1 54 ILE H 5.000 . 5.000 2.483 2.275 2.774 . 0 0 "[ . 1 .]" 1 479 1 53 PRO QB 1 55 LYS H 5.000 . 5.000 2.733 2.250 4.480 . 0 0 "[ . 1 .]" 1 480 1 53 PRO QG 1 56 GLN QE 5.000 . 5.000 3.484 2.438 3.974 . 0 0 "[ . 1 .]" 1 481 1 54 ILE HA 1 54 ILE MD 3.300 . 3.800 2.200 1.918 2.398 . 0 0 "[ . 1 .]" 1 482 1 54 ILE HA 1 54 ILE MG 3.300 . 3.800 2.247 2.114 2.456 . 0 0 "[ . 1 .]" 1 483 1 54 ILE HA 1 57 LEU MD1 5.000 . 5.500 4.395 4.192 4.595 . 0 0 "[ . 1 .]" 1 484 1 54 ILE H 1 54 ILE HB 3.500 . 3.500 2.761 2.516 3.587 0.087 13 0 "[ . 1 .]" 1 485 1 54 ILE HB 1 55 LYS H 5.000 . 5.000 3.421 1.806 4.300 . 0 0 "[ . 1 .]" 1 486 1 54 ILE H 1 55 LYS H 5.000 . 5.000 2.820 2.301 3.562 . 0 0 "[ . 1 .]" 1 487 1 54 ILE MD 1 54 ILE MG 3.500 . 4.500 2.042 1.875 2.289 . 0 0 "[ . 1 .]" 1 488 1 54 ILE MD 1 81 ILE MG 5.000 . 6.000 2.454 1.829 3.165 . 0 0 "[ . 1 .]" 1 489 1 54 ILE MD 1 84 ALA MB 5.000 . 6.000 4.147 3.784 4.191 . 0 0 "[ . 1 .]" 1 490 1 54 ILE H 1 54 ILE QG 3.500 . 4.000 2.095 1.877 2.419 . 0 0 "[ . 1 .]" 1 491 1 54 ILE MG 1 55 LYS H 5.000 . 5.500 3.903 2.084 4.236 . 0 0 "[ . 1 .]" 1 492 1 54 ILE MG 1 57 LEU H 5.000 . 5.500 3.471 2.974 4.175 . 0 0 "[ . 1 .]" 1 493 1 54 ILE MG 1 58 GLY H 5.000 . 5.500 1.904 1.743 2.024 0.057 4 0 "[ . 1 .]" 1 494 1 54 ILE MG 1 60 ILE MD 5.000 . 6.000 3.192 2.921 3.850 . 0 0 "[ . 1 .]" 1 495 1 55 LYS HA 1 55 LYS QG 3.300 . 3.300 2.329 2.137 3.028 . 0 0 "[ . 1 .]" 1 496 1 55 LYS HA 1 57 LEU H 5.000 . 5.000 4.272 3.782 4.976 . 0 0 "[ . 1 .]" 1 497 1 55 LYS HA 1 58 GLY H 5.000 . 5.000 4.970 4.695 5.078 0.078 4 0 "[ . 1 .]" 1 498 1 55 LYS HA 1 60 ILE MD 5.000 . 5.500 4.097 3.663 4.586 . 0 0 "[ . 1 .]" 1 499 1 55 LYS H 1 56 GLN H 5.000 . 5.000 2.838 2.193 4.296 . 0 0 "[ . 1 .]" 1 500 1 55 LYS H 1 57 LEU H 5.000 . 5.000 3.917 3.281 4.706 . 0 0 "[ . 1 .]" 1 501 1 55 LYS H 1 57 LEU QB 5.000 . 5.000 4.196 3.635 4.485 . 0 0 "[ . 1 .]" 1 502 1 55 LYS H 1 58 GLY H 5.000 . 5.000 4.744 4.015 5.005 0.005 1 0 "[ . 1 .]" 1 503 1 55 LYS H 1 55 LYS QB 3.500 . 3.500 2.299 2.051 3.043 . 0 0 "[ . 1 .]" 1 504 1 55 LYS H 1 55 LYS QD 3.500 . 3.500 2.783 2.073 3.152 . 0 0 "[ . 1 .]" 1 505 1 55 LYS QG 1 56 GLN H 5.000 . 5.000 4.288 3.597 4.494 . 0 0 "[ . 1 .]" 1 506 1 56 GLN HA 1 56 GLN QG 3.300 . 3.300 2.427 2.123 2.606 . 0 0 "[ . 1 .]" 1 507 1 56 GLN H 1 58 GLY H 5.000 . 5.000 4.291 3.767 4.666 . 0 0 "[ . 1 .]" 1 508 1 56 GLN QB 1 56 GLN QE 3.500 . 3.500 2.346 1.923 2.783 . 0 0 "[ . 1 .]" 1 509 1 57 LEU HA 1 57 LEU MD1 3.300 . 3.800 2.508 2.307 2.945 . 0 0 "[ . 1 .]" 1 510 1 57 LEU HA 1 57 LEU MD2 3.300 . 3.800 2.037 1.901 2.185 . 0 0 "[ . 1 .]" 1 511 1 57 LEU HA 1 73 TRP HE3 5.000 . 5.000 4.400 3.379 5.017 0.017 13 0 "[ . 1 .]" 1 512 1 57 LEU HG 1 58 GLY H 5.000 . 5.000 4.815 4.604 5.047 0.047 4 0 "[ . 1 .]" 1 513 1 57 LEU H 1 58 GLY H 3.500 . 3.500 2.402 2.070 2.904 . 0 0 "[ . 1 .]" 1 514 1 57 LEU H 1 57 LEU QB 3.500 . 3.500 2.319 2.023 2.522 . 0 0 "[ . 1 .]" 1 515 1 57 LEU QB 1 58 GLY H 5.000 . 5.000 2.384 2.124 2.626 . 0 0 "[ . 1 .]" 1 516 1 57 LEU H 1 57 LEU MD1 5.000 . 5.500 4.416 4.113 4.549 . 0 0 "[ . 1 .]" 1 517 1 57 LEU MD1 1 58 GLY H 5.000 . 5.500 4.253 3.833 4.588 . 0 0 "[ . 1 .]" 1 518 1 57 LEU MD1 1 77 ALA MB 5.000 . 6.000 1.968 1.668 2.215 0.132 1 0 "[ . 1 .]" 1 519 1 57 LEU H 1 57 LEU MD2 3.500 . 4.000 3.046 2.017 3.365 . 0 0 "[ . 1 .]" 1 520 1 57 LEU MD2 1 58 GLY H 5.000 . 5.500 4.333 4.159 4.433 . 0 0 "[ . 1 .]" 1 521 1 57 LEU MD2 1 77 ALA MB 5.000 . 6.000 4.119 3.900 4.184 . 0 0 "[ . 1 .]" 1 522 1 58 GLY H 1 59 THR H 5.000 . 5.000 4.210 3.748 4.428 . 0 0 "[ . 1 .]" 1 523 1 58 GLY H 1 60 ILE MD 6.000 . 6.500 5.427 5.416 5.438 . 0 0 "[ . 1 .]" 1 524 1 58 GLY H 1 73 TRP H 5.000 . 5.000 5.013 4.868 5.062 0.062 11 0 "[ . 1 .]" 1 525 1 58 GLY QA 1 59 THR H 5.000 . 5.000 2.213 2.112 2.289 . 0 0 "[ . 1 .]" 1 526 1 58 GLY QA 1 72 VAL HA 5.000 . 5.000 2.208 1.724 3.021 0.076 3 0 "[ . 1 .]" 1 527 1 58 GLY QA 1 73 TRP H 5.000 . 5.000 2.683 2.095 3.202 . 0 0 "[ . 1 .]" 1 528 1 59 THR HA 1 59 THR MG 3.300 . 3.800 2.947 2.241 3.211 . 0 0 "[ . 1 .]" 1 529 1 59 THR HA 1 71 GLN H 5.000 . 5.000 4.737 4.615 4.798 . 0 0 "[ . 1 .]" 1 530 1 59 THR H 1 59 THR HB 3.500 . 3.500 3.333 2.952 3.568 0.068 5 0 "[ . 1 .]" 1 531 1 59 THR HB 1 60 ILE H 5.000 . 5.000 4.045 3.356 4.475 . 0 0 "[ . 1 .]" 1 532 1 59 THR HB 1 71 GLN QB 5.000 . 5.000 4.387 4.013 4.477 . 0 0 "[ . 1 .]" 1 533 1 59 THR H 1 60 ILE H 5.000 . 5.000 4.208 3.714 4.429 . 0 0 "[ . 1 .]" 1 534 1 59 THR H 1 71 GLN H 5.000 . 5.000 3.047 2.772 3.394 . 0 0 "[ . 1 .]" 1 535 1 59 THR H 1 71 GLN QG 5.000 . 5.000 4.213 3.580 4.470 . 0 0 "[ . 1 .]" 1 536 1 59 THR H 1 72 VAL HA 5.000 . 5.000 3.696 2.965 4.669 . 0 0 "[ . 1 .]" 1 537 1 59 THR H 1 73 TRP H 5.000 . 5.000 4.571 4.039 5.071 0.071 14 0 "[ . 1 .]" 1 538 1 59 THR H 1 73 TRP HE1 5.000 . 5.000 4.321 3.118 5.009 0.009 11 0 "[ . 1 .]" 1 539 1 59 THR H 1 59 THR MG 3.500 . 4.000 2.510 1.933 3.353 . 0 0 "[ . 1 .]" 1 540 1 59 THR MG 1 60 ILE H 5.000 . 5.500 3.908 3.563 4.325 . 0 0 "[ . 1 .]" 1 541 1 60 ILE HA 1 60 ILE MG 3.300 . 3.800 2.317 2.182 2.522 . 0 0 "[ . 1 .]" 1 542 1 60 ILE HA 1 70 ILE HA 5.000 . 5.000 2.328 1.955 2.724 . 0 0 "[ . 1 .]" 1 543 1 60 ILE HB 1 61 SER H 5.000 . 5.000 3.291 2.937 3.536 . 0 0 "[ . 1 .]" 1 544 1 60 ILE H 1 61 SER H 5.000 . 5.000 4.405 4.327 4.506 . 0 0 "[ . 1 .]" 1 545 1 60 ILE H 1 60 ILE MD 3.500 . 4.000 2.670 1.817 3.353 . 0 0 "[ . 1 .]" 1 546 1 60 ILE MD 1 60 ILE MG 3.500 . 4.500 1.807 1.682 1.911 0.118 11 0 "[ . 1 .]" 1 547 1 60 ILE MD 1 70 ILE MD 5.000 . 6.000 3.633 3.129 4.188 . 0 0 "[ . 1 .]" 1 548 1 60 ILE QG 1 62 VAL MG2 6.000 . 7.000 4.812 4.335 5.195 . 0 0 "[ . 1 .]" 1 549 1 60 ILE QG 1 68 ILE MG 5.000 . 6.000 4.240 3.707 4.457 . 0 0 "[ . 1 .]" 1 550 1 60 ILE QG 1 70 ILE HA 5.000 . 5.500 4.924 4.779 4.962 . 0 0 "[ . 1 .]" 1 551 1 60 ILE H 1 60 ILE MG 3.500 . 4.000 2.713 2.295 3.334 . 0 0 "[ . 1 .]" 1 552 1 60 ILE MG 1 68 ILE MG 5.000 . 6.000 3.905 3.284 4.178 . 0 0 "[ . 1 .]" 1 553 1 60 ILE MG 1 70 ILE HA 5.000 . 5.500 2.183 1.870 2.973 . 0 0 "[ . 1 .]" 1 554 1 60 ILE MG 1 71 GLN H 5.000 . 5.500 3.310 2.753 3.793 . 0 0 "[ . 1 .]" 1 555 1 61 SER HA 1 62 VAL H 3.500 . 3.500 2.300 2.228 2.327 . 0 0 "[ . 1 .]" 1 556 1 61 SER H 1 62 VAL H 5.000 . 5.000 4.412 4.365 4.441 . 0 0 "[ . 1 .]" 1 557 1 61 SER H 1 69 VAL H 5.000 . 5.000 3.365 3.103 3.644 . 0 0 "[ . 1 .]" 1 558 1 61 SER H 1 69 VAL MG2 5.000 . 5.500 4.432 4.047 4.592 . 0 0 "[ . 1 .]" 1 559 1 61 SER H 1 70 ILE HA 5.000 . 5.000 3.727 3.049 4.112 . 0 0 "[ . 1 .]" 1 560 1 61 SER H 1 71 GLN H 5.000 . 5.000 4.721 4.094 5.029 0.029 1 0 "[ . 1 .]" 1 561 1 61 SER H 1 61 SER QB 3.500 . 3.500 2.752 2.505 3.103 . 0 0 "[ . 1 .]" 1 562 1 61 SER QB 1 62 VAL H 3.500 . 3.500 2.679 2.561 3.090 . 0 0 "[ . 1 .]" 1 563 1 62 VAL HA 1 62 VAL MG1 3.300 . 3.800 2.369 2.261 2.417 . 0 0 "[ . 1 .]" 1 564 1 62 VAL HA 1 62 VAL MG2 3.300 . 3.800 2.401 2.284 2.477 . 0 0 "[ . 1 .]" 1 565 1 62 VAL HA 1 63 PRO QD 5.000 . 5.000 1.915 1.770 1.994 0.030 3 0 "[ . 1 .]" 1 566 1 62 VAL HA 1 64 GLU H 5.000 . 5.000 4.422 4.064 4.815 . 0 0 "[ . 1 .]" 1 567 1 62 VAL HA 1 67 GLN H 5.000 . 5.000 4.770 4.320 5.033 0.033 12 0 "[ . 1 .]" 1 568 1 62 VAL HA 1 69 VAL H 5.000 . 5.000 3.212 2.777 3.483 . 0 0 "[ . 1 .]" 1 569 1 62 VAL H 1 62 VAL HB 2.900 . 2.900 2.565 2.436 2.707 . 0 0 "[ . 1 .]" 1 570 1 62 VAL HB 1 65 HIS HD2 5.000 . 5.000 4.306 3.300 5.026 0.026 11 0 "[ . 1 .]" 1 571 1 62 VAL H 1 63 PRO QD 5.000 . 5.000 4.181 3.857 4.348 . 0 0 "[ . 1 .]" 1 572 1 62 VAL H 1 69 VAL H 5.000 . 5.000 4.948 4.664 5.038 0.038 11 0 "[ . 1 .]" 1 573 1 62 VAL H 1 69 VAL MG2 6.000 . 6.500 5.282 4.975 5.425 . 0 0 "[ . 1 .]" 1 574 1 62 VAL MG1 1 65 HIS HA 5.000 . 5.500 2.043 1.764 2.942 0.036 2 0 "[ . 1 .]" 1 575 1 62 VAL MG1 1 68 ILE HA 5.000 . 5.500 3.567 3.167 3.833 . 0 0 "[ . 1 .]" 1 576 1 62 VAL H 1 62 VAL MG2 3.500 . 4.000 2.589 2.336 2.804 . 0 0 "[ . 1 .]" 1 577 1 62 VAL MG2 1 64 GLU H 6.000 . 6.500 5.352 5.102 5.452 . 0 0 "[ . 1 .]" 1 578 1 62 VAL MG2 1 67 GLN H 5.000 . 5.500 4.327 3.674 4.600 . 0 0 "[ . 1 .]" 1 579 1 62 VAL MG2 1 68 ILE MG 5.000 . 6.000 2.698 2.210 2.939 . 0 0 "[ . 1 .]" 1 580 1 63 PRO QD 1 64 GLU H 5.000 . 5.000 2.278 1.968 2.722 . 0 0 "[ . 1 .]" 1 581 1 63 PRO QD 1 67 GLN QE 5.000 . 5.000 3.033 1.952 3.419 . 0 0 "[ . 1 .]" 1 582 1 63 PRO QD 1 69 VAL MG2 5.000 . 5.500 2.101 1.866 2.513 . 0 0 "[ . 1 .]" 1 583 1 63 PRO QG 1 64 GLU H 5.000 . 5.000 2.306 1.871 3.518 . 0 0 "[ . 1 .]" 1 584 1 63 PRO QG 1 69 VAL MG2 5.000 . 5.500 2.280 1.840 2.859 . 0 0 "[ . 1 .]" 1 585 1 64 GLU HA 1 65 HIS H 2.900 . 2.900 2.907 2.442 3.085 0.185 11 0 "[ . 1 .]" 1 586 1 64 GLU HA 1 66 ASN H 5.000 . 5.000 4.333 4.175 4.601 . 0 0 "[ . 1 .]" 1 587 1 64 GLU HA 1 67 GLN H 6.000 . 6.000 5.486 5.233 5.755 . 0 0 "[ . 1 .]" 1 588 1 64 GLU H 1 65 HIS HA 5.000 . 5.000 4.737 4.548 5.115 0.115 11 0 "[ . 1 .]" 1 589 1 64 GLU H 1 65 HIS H 5.000 . 5.000 2.961 2.497 4.439 . 0 0 "[ . 1 .]" 1 590 1 64 GLU H 1 67 GLN H 6.000 . 6.000 3.673 3.227 4.308 . 0 0 "[ . 1 .]" 1 591 1 64 GLU H 1 67 GLN QB 3.500 . 3.500 2.932 2.504 3.165 . 0 0 "[ . 1 .]" 1 592 1 64 GLU H 1 64 GLU QB 3.500 . 3.500 2.678 2.154 3.152 . 0 0 "[ . 1 .]" 1 593 1 64 GLU QB 1 66 ASN H 5.000 . 5.000 3.092 2.232 3.466 . 0 0 "[ . 1 .]" 1 594 1 64 GLU QB 1 67 GLN H 5.000 . 5.000 4.173 2.844 4.480 . 0 0 "[ . 1 .]" 1 595 1 64 GLU QG 1 65 HIS H 5.000 . 5.000 3.946 2.065 4.458 . 0 0 "[ . 1 .]" 1 596 1 64 GLU QG 1 66 ASN H 5.000 . 5.000 3.863 2.001 4.480 . 0 0 "[ . 1 .]" 1 597 1 65 HIS HA 1 67 GLN H 5.000 . 5.000 3.799 3.617 4.016 . 0 0 "[ . 1 .]" 1 598 1 65 HIS QB 1 66 ASN H 5.000 . 5.000 2.998 2.254 3.866 . 0 0 "[ . 1 .]" 1 599 1 66 ASN HA 1 104 LEU H 5.000 . 5.000 4.963 4.766 5.037 0.037 1 0 "[ . 1 .]" 1 600 1 66 ASN H 1 67 GLN H 5.000 . 5.000 2.438 1.767 3.179 0.033 4 0 "[ . 1 .]" 1 601 1 66 ASN H 1 67 GLN QB 5.000 . 5.000 3.901 3.319 4.360 . 0 0 "[ . 1 .]" 1 602 1 66 ASN QB 1 67 GLN H 5.000 . 5.000 3.702 3.443 4.034 . 0 0 "[ . 1 .]" 1 603 1 66 ASN QB 1 104 LEU H 5.000 . 5.000 4.250 3.558 4.472 . 0 0 "[ . 1 .]" 1 604 1 67 GLN HA 1 104 LEU H 5.000 . 5.000 3.378 2.551 3.731 . 0 0 "[ . 1 .]" 1 605 1 67 GLN H 1 68 ILE HA 5.000 . 5.000 4.742 4.670 4.806 . 0 0 "[ . 1 .]" 1 606 1 67 GLN H 1 68 ILE H 5.000 . 5.000 4.354 4.310 4.392 . 0 0 "[ . 1 .]" 1 607 1 67 GLN H 1 67 GLN QB 3.500 . 3.500 2.686 2.531 2.822 . 0 0 "[ . 1 .]" 1 608 1 67 GLN QB 1 67 GLN QE 3.500 . 3.500 2.636 1.979 2.805 . 0 0 "[ . 1 .]" 1 609 1 67 GLN QG 1 68 ILE H 5.000 . 5.000 2.201 1.916 2.605 . 0 0 "[ . 1 .]" 1 610 1 67 GLN QG 1 69 VAL MG1 6.000 . 6.500 4.697 4.141 4.835 . 0 0 "[ . 1 .]" 1 611 1 67 GLN QG 1 103 THR HA 5.000 . 5.000 2.729 1.923 3.957 . 0 0 "[ . 1 .]" 1 612 1 67 GLN QE 1 69 VAL MG1 5.000 . 5.500 3.925 3.720 4.098 . 0 0 "[ . 1 .]" 1 613 1 67 GLN QE 1 101 ARG QD 5.000 . 5.000 3.047 2.280 3.883 . 0 0 "[ . 1 .]" 1 614 1 68 ILE HA 1 68 ILE MG 3.300 . 3.800 2.148 2.068 2.318 . 0 0 "[ . 1 .]" 1 615 1 68 ILE HA 1 102 VAL H 5.000 . 5.000 4.749 4.479 5.011 0.011 5 0 "[ . 1 .]" 1 616 1 68 ILE H 1 68 ILE HB 3.500 . 3.500 2.938 2.747 3.093 . 0 0 "[ . 1 .]" 1 617 1 68 ILE HB 1 69 VAL H 5.000 . 5.000 3.983 3.682 4.223 . 0 0 "[ . 1 .]" 1 618 1 68 ILE HB 1 102 VAL H 5.000 . 5.000 3.871 3.145 4.437 . 0 0 "[ . 1 .]" 1 619 1 68 ILE H 1 69 VAL H 5.000 . 5.000 4.288 4.165 4.394 . 0 0 "[ . 1 .]" 1 620 1 68 ILE H 1 101 ARG HA 5.000 . 5.000 4.836 4.313 5.042 0.042 14 0 "[ . 1 .]" 1 621 1 68 ILE H 1 102 VAL HB 5.000 . 5.000 2.989 1.945 3.688 . 0 0 "[ . 1 .]" 1 622 1 68 ILE H 1 102 VAL H 5.000 . 5.000 3.081 2.795 3.283 . 0 0 "[ . 1 .]" 1 623 1 68 ILE H 1 104 LEU H 5.000 . 5.000 4.846 4.250 5.061 0.061 6 0 "[ . 1 .]" 1 624 1 68 ILE MD 1 68 ILE MG 3.500 . 4.500 2.000 1.750 2.129 0.050 9 0 "[ . 1 .]" 1 625 1 68 ILE MD 1 104 LEU MD1 5.000 . 6.000 2.476 1.917 3.078 . 0 0 "[ . 1 .]" 1 626 1 68 ILE MD 1 104 LEU MD2 5.000 . 6.000 3.425 2.370 4.164 . 0 0 "[ . 1 .]" 1 627 1 69 VAL HA 1 69 VAL MG2 3.300 . 3.800 2.496 2.405 2.621 . 0 0 "[ . 1 .]" 1 628 1 69 VAL H 1 69 VAL HB 3.500 . 3.500 2.813 2.619 2.955 . 0 0 "[ . 1 .]" 1 629 1 69 VAL H 1 70 ILE H 5.000 . 5.000 4.331 4.280 4.539 . 0 0 "[ . 1 .]" 1 630 1 69 VAL MG1 1 70 ILE H 3.500 . 4.000 2.615 2.049 2.858 . 0 0 "[ . 1 .]" 1 631 1 69 VAL MG1 1 100 ILE MG 6.000 . 7.000 4.577 4.259 4.856 . 0 0 "[ . 1 .]" 1 632 1 69 VAL MG1 1 101 ARG HA 5.000 . 5.500 2.625 2.261 2.918 . 0 0 "[ . 1 .]" 1 633 1 69 VAL H 1 69 VAL MG2 2.900 . 3.400 2.496 2.186 2.735 . 0 0 "[ . 1 .]" 1 634 1 69 VAL MG2 1 101 ARG QD 5.000 . 5.500 3.276 2.166 4.087 . 0 0 "[ . 1 .]" 1 635 1 70 ILE HA 1 70 ILE MD 3.300 . 3.800 2.523 2.092 3.174 . 0 0 "[ . 1 .]" 1 636 1 70 ILE HA 1 70 ILE MG 3.300 . 3.800 2.165 2.067 2.515 . 0 0 "[ . 1 .]" 1 637 1 70 ILE H 1 70 ILE HB 3.500 . 3.500 2.774 2.416 2.866 . 0 0 "[ . 1 .]" 1 638 1 70 ILE H 1 71 GLN H 5.000 . 5.000 4.406 4.358 4.470 . 0 0 "[ . 1 .]" 1 639 1 70 ILE H 1 100 ILE H 5.000 . 5.000 3.245 2.655 3.668 . 0 0 "[ . 1 .]" 1 640 1 70 ILE H 1 101 ARG H 5.000 . 5.000 4.807 4.627 5.018 0.018 8 0 "[ . 1 .]" 1 641 1 70 ILE H 1 70 ILE MD 3.500 . 4.000 3.167 2.314 3.368 . 0 0 "[ . 1 .]" 1 642 1 70 ILE MD 1 70 ILE MG 3.500 . 4.500 2.012 1.611 3.170 0.189 9 0 "[ . 1 .]" 1 643 1 70 ILE MD 1 85 ILE MD 5.000 . 6.000 2.214 1.647 2.686 0.153 11 0 "[ . 1 .]" 1 644 1 70 ILE H 1 70 ILE QG 3.500 . 4.000 2.304 2.033 3.625 . 0 0 "[ . 1 .]" 1 645 1 70 ILE QG 1 71 GLN H 5.000 . 5.500 4.696 3.795 4.895 . 0 0 "[ . 1 .]" 1 646 1 70 ILE QG 1 100 ILE MD 3.300 . 4.300 3.135 2.880 3.245 . 0 0 "[ . 1 .]" 1 647 1 70 ILE MG 1 71 GLN H 5.000 . 5.500 2.606 2.309 2.784 . 0 0 "[ . 1 .]" 1 648 1 70 ILE MG 1 72 VAL MG2 5.000 . 6.000 2.950 2.267 3.571 . 0 0 "[ . 1 .]" 1 649 1 70 ILE MG 1 100 ILE MD 3.300 . 4.300 2.601 1.811 2.985 . 0 0 "[ . 1 .]" 1 650 1 71 GLN HA 1 71 GLN QG 3.300 . 3.300 2.543 2.336 2.807 . 0 0 "[ . 1 .]" 1 651 1 71 GLN HA 1 72 VAL H 3.500 . 3.500 2.154 2.108 2.185 . 0 0 "[ . 1 .]" 1 652 1 71 GLN HA 1 99 VAL MG1 5.000 . 5.500 2.648 1.907 3.516 . 0 0 "[ . 1 .]" 1 653 1 71 GLN H 1 100 ILE H 5.000 . 5.000 4.784 4.586 5.003 0.003 11 0 "[ . 1 .]" 1 654 1 71 GLN H 1 71 GLN QB 3.500 . 3.500 2.666 2.414 2.976 . 0 0 "[ . 1 .]" 1 655 1 71 GLN QB 1 100 ILE H 6.000 . 6.000 4.359 3.357 5.345 . 0 0 "[ . 1 .]" 1 656 1 71 GLN QE 1 99 VAL MG1 5.000 . 5.500 2.925 1.870 4.024 . 0 0 "[ . 1 .]" 1 657 1 72 VAL HA 1 72 VAL MG1 3.300 . 3.800 2.266 2.083 2.505 . 0 0 "[ . 1 .]" 1 658 1 72 VAL HA 1 73 TRP H 5.000 . 5.000 2.266 2.101 2.675 . 0 0 "[ . 1 .]" 1 659 1 72 VAL HA 1 74 ASP H 5.000 . 5.000 3.912 3.542 4.602 . 0 0 "[ . 1 .]" 1 660 1 72 VAL HB 1 73 TRP H 5.000 . 5.000 3.958 2.622 4.436 . 0 0 "[ . 1 .]" 1 661 1 72 VAL H 1 78 VAL MG1 5.000 . 5.500 4.310 3.528 4.591 . 0 0 "[ . 1 .]" 1 662 1 72 VAL H 1 98 ASN QB 5.000 . 5.000 4.464 4.364 4.499 . 0 0 "[ . 1 .]" 1 663 1 72 VAL H 1 98 ASN QD 6.000 . 7.000 5.318 3.804 6.225 . 0 0 "[ . 1 .]" 1 664 1 72 VAL MG1 1 73 TRP H 3.500 . 4.000 2.619 1.747 3.392 0.053 4 0 "[ . 1 .]" 1 665 1 72 VAL MG1 1 74 ASP H 3.500 . 4.000 2.127 1.822 2.750 . 0 0 "[ . 1 .]" 1 666 1 72 VAL MG1 1 75 GLN HA 5.000 . 5.500 4.236 3.442 4.597 . 0 0 "[ . 1 .]" 1 667 1 72 VAL MG1 1 77 ALA H 5.000 . 5.500 3.121 2.686 3.562 . 0 0 "[ . 1 .]" 1 668 1 72 VAL MG1 1 77 ALA MB 5.000 . 6.000 1.960 1.702 2.569 0.098 6 0 "[ . 1 .]" 1 669 1 72 VAL MG1 1 81 ILE MD 5.000 . 6.000 2.249 1.775 3.223 0.025 13 0 "[ . 1 .]" 1 670 1 72 VAL H 1 72 VAL MG2 3.500 . 4.000 2.187 1.770 2.799 0.030 7 0 "[ . 1 .]" 1 671 1 72 VAL MG2 1 77 ALA MB 5.000 . 6.000 3.113 2.227 4.151 . 0 0 "[ . 1 .]" 1 672 1 72 VAL MG2 1 78 VAL HA 5.000 . 5.500 2.533 1.764 4.084 0.036 15 0 "[ . 1 .]" 1 673 1 72 VAL MG2 1 78 VAL H 5.000 . 5.500 3.955 3.090 4.595 . 0 0 "[ . 1 .]" 1 674 1 72 VAL MG2 1 78 VAL MG2 5.000 . 6.000 2.828 1.843 4.085 . 0 0 "[ . 1 .]" 1 675 1 72 VAL MG2 1 100 ILE MD 5.000 . 6.000 2.592 1.811 3.826 . 0 0 "[ . 1 .]" 1 676 1 73 TRP HA 1 73 TRP HE1 5.000 . 5.000 4.766 4.548 4.988 . 0 0 "[ . 1 .]" 1 677 1 73 TRP HA 1 73 TRP HE3 5.000 . 5.000 5.038 4.982 5.143 0.143 7 0 "[ . 1 .]" 1 678 1 73 TRP H 1 74 ASP H 3.500 . 3.500 2.672 1.976 3.223 . 0 0 "[ . 1 .]" 1 679 1 73 TRP QB 1 74 ASP H 3.500 . 3.500 2.707 2.432 3.007 . 0 0 "[ . 1 .]" 1 680 1 74 ASP HA 1 75 GLN H 2.900 . 2.900 2.205 2.129 2.407 . 0 0 "[ . 1 .]" 1 681 1 74 ASP HA 1 76 ASN H 5.000 . 5.000 3.708 3.467 4.135 . 0 0 "[ . 1 .]" 1 682 1 74 ASP H 1 75 GLN H 5.000 . 5.000 4.449 4.344 4.554 . 0 0 "[ . 1 .]" 1 683 1 74 ASP H 1 76 ASN H 5.000 . 5.000 5.017 4.676 5.114 0.114 6 0 "[ . 1 .]" 1 684 1 74 ASP H 1 77 ALA H 5.000 . 5.000 4.471 4.112 4.835 . 0 0 "[ . 1 .]" 1 685 1 74 ASP H 1 77 ALA MB 5.000 . 5.500 3.664 3.050 4.251 . 0 0 "[ . 1 .]" 1 686 1 74 ASP H 1 74 ASP QB 3.500 . 3.500 2.388 2.223 2.743 . 0 0 "[ . 1 .]" 1 687 1 74 ASP QB 1 75 GLN H 5.000 . 5.000 3.215 2.592 3.569 . 0 0 "[ . 1 .]" 1 688 1 74 ASP QB 1 77 ALA H 5.000 . 5.000 2.875 2.397 3.393 . 0 0 "[ . 1 .]" 1 689 1 75 GLN HA 1 77 ALA H 5.000 . 5.000 3.882 3.572 4.218 . 0 0 "[ . 1 .]" 1 690 1 75 GLN HA 1 78 VAL MG2 5.000 . 5.500 1.828 1.740 1.927 0.060 13 0 "[ . 1 .]" 1 691 1 75 GLN H 1 76 ASN HA 6.000 . 6.000 5.103 4.964 5.296 . 0 0 "[ . 1 .]" 1 692 1 75 GLN H 1 76 ASN H 5.000 . 5.000 2.558 2.382 2.733 . 0 0 "[ . 1 .]" 1 693 1 75 GLN H 1 76 ASN QB 5.000 . 5.000 4.262 4.026 4.459 . 0 0 "[ . 1 .]" 1 694 1 75 GLN H 1 77 ALA H 6.000 . 6.000 4.314 4.132 4.432 . 0 0 "[ . 1 .]" 1 695 1 75 GLN H 1 78 VAL MG2 5.000 . 5.500 3.955 3.805 4.121 . 0 0 "[ . 1 .]" 1 696 1 75 GLN H 1 75 GLN QB 3.500 . 3.500 2.445 2.103 2.669 . 0 0 "[ . 1 .]" 1 697 1 75 GLN QB 1 76 ASN H 5.000 . 5.000 3.329 2.953 3.783 . 0 0 "[ . 1 .]" 1 698 1 75 GLN QB 1 77 ALA H 6.000 . 6.000 4.871 4.529 5.208 . 0 0 "[ . 1 .]" 1 699 1 75 GLN QG 1 76 ASN H 5.000 . 5.000 3.570 2.366 4.448 . 0 0 "[ . 1 .]" 1 700 1 76 ASN HA 1 76 ASN QD 3.500 . 3.500 2.732 2.155 3.120 . 0 0 "[ . 1 .]" 1 701 1 76 ASN H 1 77 ALA HA 6.000 . 6.000 5.164 5.131 5.202 . 0 0 "[ . 1 .]" 1 702 1 76 ASN H 1 77 ALA H 3.500 . 3.500 2.528 2.473 2.588 . 0 0 "[ . 1 .]" 1 703 1 76 ASN H 1 77 ALA MB 5.000 . 5.500 4.160 4.097 4.227 . 0 0 "[ . 1 .]" 1 704 1 76 ASN H 1 78 VAL H 6.000 . 6.000 3.970 3.872 4.246 . 0 0 "[ . 1 .]" 1 705 1 76 ASN H 1 79 PRO QD 5.000 . 5.000 4.478 4.459 4.504 . 0 0 "[ . 1 .]" 1 706 1 76 ASN H 1 76 ASN QB 3.500 . 3.500 2.153 2.069 2.269 . 0 0 "[ . 1 .]" 1 707 1 76 ASN QB 1 77 ALA H 5.000 . 5.000 2.969 2.766 3.219 . 0 0 "[ . 1 .]" 1 708 1 77 ALA HA 1 78 VAL H 5.000 . 5.000 3.430 3.256 3.530 . 0 0 "[ . 1 .]" 1 709 1 77 ALA HA 1 80 ALA H 5.000 . 5.000 3.298 3.185 3.477 . 0 0 "[ . 1 .]" 1 710 1 77 ALA HA 1 80 ALA MB 5.000 . 5.500 2.492 2.275 2.814 . 0 0 "[ . 1 .]" 1 711 1 77 ALA H 1 78 VAL HA 5.000 . 5.000 4.793 4.680 4.863 . 0 0 "[ . 1 .]" 1 712 1 77 ALA H 1 78 VAL HB 5.000 . 5.000 4.773 4.522 5.046 0.046 13 0 "[ . 1 .]" 1 713 1 77 ALA H 1 78 VAL H 3.500 . 3.500 2.280 2.126 2.475 . 0 0 "[ . 1 .]" 1 714 1 77 ALA H 1 78 VAL MG2 5.000 . 5.500 3.320 3.092 3.466 . 0 0 "[ . 1 .]" 1 715 1 77 ALA H 1 79 PRO QD 5.000 . 5.000 3.475 3.195 3.710 . 0 0 "[ . 1 .]" 1 716 1 77 ALA H 1 77 ALA MB 2.900 . 3.400 2.174 2.114 2.243 . 0 0 "[ . 1 .]" 1 717 1 77 ALA MB 1 78 VAL H 5.000 . 5.500 3.069 2.807 3.339 . 0 0 "[ . 1 .]" 1 718 1 77 ALA MB 1 81 ILE MD 5.000 . 6.000 2.372 1.858 3.221 . 0 0 "[ . 1 .]" 1 719 1 78 VAL HA 1 78 VAL MG1 3.300 . 3.800 2.284 2.139 2.411 . 0 0 "[ . 1 .]" 1 720 1 78 VAL HA 1 78 VAL MG2 3.300 . 3.800 2.453 2.377 2.562 . 0 0 "[ . 1 .]" 1 721 1 78 VAL HA 1 81 ILE MD 5.000 . 5.500 2.535 1.821 3.372 . 0 0 "[ . 1 .]" 1 722 1 78 VAL H 1 78 VAL HB 3.500 . 3.500 2.706 2.624 2.870 . 0 0 "[ . 1 .]" 1 723 1 78 VAL HB 1 79 PRO QD 5.000 . 5.000 1.787 1.725 1.854 0.075 9 0 "[ . 1 .]" 1 724 1 78 VAL H 1 79 PRO QD 5.000 . 5.000 2.321 2.038 2.444 . 0 0 "[ . 1 .]" 1 725 1 78 VAL H 1 79 PRO QG 5.000 . 5.000 4.251 3.966 4.376 . 0 0 "[ . 1 .]" 1 726 1 78 VAL MG1 1 80 ALA H 6.000 . 6.500 5.062 4.792 5.363 . 0 0 "[ . 1 .]" 1 727 1 78 VAL MG1 1 81 ILE MD 5.000 . 6.000 3.799 2.827 4.192 . 0 0 "[ . 1 .]" 1 728 1 78 VAL H 1 78 VAL MG2 3.500 . 4.000 1.898 1.837 1.936 . 0 0 "[ . 1 .]" 1 729 1 78 VAL MG2 1 98 ASN HA 5.000 . 5.500 2.920 1.927 3.806 . 0 0 "[ . 1 .]" 1 730 1 78 VAL MG2 1 98 ASN QD 5.000 . 5.500 2.227 1.829 2.947 . 0 0 "[ . 1 .]" 1 731 1 79 PRO HA 1 79 PRO QG 3.300 . 3.300 2.964 2.947 2.979 . 0 0 "[ . 1 .]" 1 732 1 79 PRO HA 1 82 GLU H 5.000 . 5.000 3.871 3.661 4.047 . 0 0 "[ . 1 .]" 1 733 1 79 PRO HA 1 82 GLU QB 5.000 . 5.000 3.157 2.871 3.430 . 0 0 "[ . 1 .]" 1 734 1 79 PRO QB 1 80 ALA H 5.000 . 5.000 2.570 2.471 2.784 . 0 0 "[ . 1 .]" 1 735 1 79 PRO QD 1 80 ALA H 5.000 . 5.000 2.407 2.309 2.505 . 0 0 "[ . 1 .]" 1 736 1 79 PRO QD 1 81 ILE H 5.000 . 5.000 4.221 4.146 4.293 . 0 0 "[ . 1 .]" 1 737 1 79 PRO QG 1 80 ALA H 5.000 . 5.000 3.634 3.559 3.744 . 0 0 "[ . 1 .]" 1 738 1 80 ALA H 1 81 ILE H 3.500 . 3.500 2.683 2.555 2.797 . 0 0 "[ . 1 .]" 1 739 1 80 ALA H 1 82 GLU H 6.000 . 6.000 4.332 4.018 4.580 . 0 0 "[ . 1 .]" 1 740 1 80 ALA H 1 80 ALA MB 2.900 . 3.400 2.099 2.026 2.227 . 0 0 "[ . 1 .]" 1 741 1 80 ALA MB 1 81 ILE H 5.000 . 5.500 2.575 2.431 2.726 . 0 0 "[ . 1 .]" 1 742 1 80 ALA MB 1 81 ILE MG 6.000 . 7.000 4.889 4.863 4.922 . 0 0 "[ . 1 .]" 1 743 1 81 ILE HA 1 81 ILE MG 3.300 . 3.800 2.343 2.272 2.442 . 0 0 "[ . 1 .]" 1 744 1 81 ILE HA 1 82 GLU H 3.500 . 3.500 3.558 3.496 3.593 0.093 10 0 "[ . 1 .]" 1 745 1 81 ILE HA 1 84 ALA H 5.000 . 5.000 3.212 3.069 3.353 . 0 0 "[ . 1 .]" 1 746 1 81 ILE HA 1 84 ALA MB 5.000 . 5.500 2.280 2.008 2.525 . 0 0 "[ . 1 .]" 1 747 1 81 ILE H 1 81 ILE HB 3.500 . 3.500 2.601 2.426 2.679 . 0 0 "[ . 1 .]" 1 748 1 81 ILE HB 1 82 GLU H 5.000 . 5.000 2.513 2.316 2.784 . 0 0 "[ . 1 .]" 1 749 1 81 ILE H 1 82 GLU H 3.500 . 3.500 2.822 2.707 2.930 . 0 0 "[ . 1 .]" 1 750 1 81 ILE H 1 85 ILE H 6.000 . 6.000 5.772 5.577 5.906 . 0 0 "[ . 1 .]" 1 751 1 81 ILE MD 1 82 GLU H 5.000 . 5.500 4.353 3.868 4.625 . 0 0 "[ . 1 .]" 1 752 1 81 ILE H 1 81 ILE QG 2.900 . 3.400 2.011 1.877 2.322 . 0 0 "[ . 1 .]" 1 753 1 81 ILE MG 1 100 ILE MD 3.500 . 4.500 1.995 1.741 2.657 0.059 12 0 "[ . 1 .]" 1 754 1 82 GLU HA 1 83 LYS H 5.000 . 5.000 3.549 3.544 3.557 . 0 0 "[ . 1 .]" 1 755 1 82 GLU HA 1 85 ILE MG 5.000 . 5.500 2.090 1.817 2.549 . 0 0 "[ . 1 .]" 1 756 1 82 GLU H 1 83 LYS H 3.500 . 3.500 2.849 2.696 2.927 . 0 0 "[ . 1 .]" 1 757 1 82 GLU H 1 86 ARG H 6.000 . 6.000 5.922 5.716 6.021 0.021 15 0 "[ . 1 .]" 1 758 1 82 GLU H 1 82 GLU QB 3.500 . 3.500 2.213 2.052 2.487 . 0 0 "[ . 1 .]" 1 759 1 82 GLU QB 1 83 LYS H 3.500 . 3.500 2.442 2.309 2.549 . 0 0 "[ . 1 .]" 1 760 1 82 GLU QB 1 84 ALA H 5.000 . 5.000 4.465 4.425 4.478 . 0 0 "[ . 1 .]" 1 761 1 83 LYS HA 1 84 ALA H 5.000 . 5.000 3.497 3.487 3.518 . 0 0 "[ . 1 .]" 1 762 1 83 LYS H 1 84 ALA H 3.500 . 3.500 2.530 2.476 2.589 . 0 0 "[ . 1 .]" 1 763 1 83 LYS H 1 85 ILE H 5.000 . 5.000 4.338 4.279 4.422 . 0 0 "[ . 1 .]" 1 764 1 83 LYS H 1 85 ILE MG 5.000 . 5.500 4.248 4.051 4.463 . 0 0 "[ . 1 .]" 1 765 1 83 LYS QB 1 84 ALA H 3.500 . 3.500 2.756 2.615 2.841 . 0 0 "[ . 1 .]" 1 766 1 83 LYS QE 1 83 LYS QG 3.300 . 3.300 2.188 1.956 2.472 . 0 0 "[ . 1 .]" 1 767 1 83 LYS H 1 83 LYS QG 3.500 . 3.500 2.614 2.104 3.090 . 0 0 "[ . 1 .]" 1 768 1 84 ALA HA 1 86 ARG H 5.000 . 5.000 4.607 4.366 4.907 . 0 0 "[ . 1 .]" 1 769 1 84 ALA HA 1 87 GLU H 5.000 . 5.000 3.561 3.390 3.694 . 0 0 "[ . 1 .]" 1 770 1 84 ALA HA 1 87 GLU QB 5.000 . 5.000 2.624 2.226 3.285 . 0 0 "[ . 1 .]" 1 771 1 84 ALA HA 1 88 GLU H 5.000 . 5.000 4.285 3.886 4.784 . 0 0 "[ . 1 .]" 1 772 1 84 ALA H 1 85 ILE H 3.500 . 3.500 2.650 2.568 2.789 . 0 0 "[ . 1 .]" 1 773 1 84 ALA H 1 85 ILE MG 5.000 . 5.500 3.877 3.659 4.084 . 0 0 "[ . 1 .]" 1 774 1 84 ALA H 1 84 ALA MB 2.900 . 3.400 2.195 2.058 2.254 . 0 0 "[ . 1 .]" 1 775 1 84 ALA MB 1 85 ILE H 3.500 . 4.000 2.406 2.356 2.580 . 0 0 "[ . 1 .]" 1 776 1 84 ALA MB 1 87 GLU H 5.000 . 5.500 4.565 4.468 4.603 . 0 0 "[ . 1 .]" 1 777 1 85 ILE HA 1 85 ILE MD 3.300 . 3.800 2.914 2.415 3.184 . 0 0 "[ . 1 .]" 1 778 1 85 ILE HA 1 85 ILE QG 3.300 . 3.800 2.327 2.173 2.528 . 0 0 "[ . 1 .]" 1 779 1 85 ILE HA 1 89 LEU MD1 5.000 . 5.500 3.297 2.875 3.704 . 0 0 "[ . 1 .]" 1 780 1 85 ILE HB 1 89 LEU H 6.000 . 6.000 5.657 5.555 6.027 0.027 8 0 "[ . 1 .]" 1 781 1 85 ILE HB 1 89 LEU MD1 5.000 . 5.500 4.316 4.071 4.584 . 0 0 "[ . 1 .]" 1 782 1 85 ILE H 1 85 ILE MD 5.000 . 5.500 4.106 3.847 4.302 . 0 0 "[ . 1 .]" 1 783 1 85 ILE MD 1 85 ILE MG 3.500 . 4.500 2.871 2.637 3.126 . 0 0 "[ . 1 .]" 1 784 1 85 ILE MD 1 89 LEU MD2 5.000 . 6.000 3.235 2.511 4.111 . 0 0 "[ . 1 .]" 1 785 1 85 ILE MD 1 100 ILE MD 5.000 . 6.000 4.089 3.599 4.179 . 0 0 "[ . 1 .]" 1 786 1 85 ILE MD 1 102 VAL MG2 3.500 . 4.500 2.506 1.912 3.123 . 0 0 "[ . 1 .]" 1 787 1 85 ILE QG 1 88 GLU H 5.000 . 5.500 4.647 4.354 4.828 . 0 0 "[ . 1 .]" 1 788 1 85 ILE QG 1 91 LEU H 6.000 . 6.500 5.049 4.778 5.260 . 0 0 "[ . 1 .]" 1 789 1 85 ILE H 1 85 ILE MG 3.500 . 4.000 2.247 2.011 2.544 . 0 0 "[ . 1 .]" 1 790 1 85 ILE MG 1 89 LEU MD1 5.000 . 6.000 4.151 3.990 4.182 . 0 0 "[ . 1 .]" 1 791 1 85 ILE MG 1 100 ILE MD 5.000 . 6.000 3.758 3.198 4.163 . 0 0 "[ . 1 .]" 1 792 1 85 ILE MG 1 102 VAL MG2 5.000 . 6.000 3.052 2.564 3.908 . 0 0 "[ . 1 .]" 1 793 1 86 ARG HA 1 91 LEU H 3.500 . 3.500 2.709 2.400 3.140 . 0 0 "[ . 1 .]" 1 794 1 86 ARG H 1 87 GLU H 3.500 . 3.500 2.625 2.504 2.725 . 0 0 "[ . 1 .]" 1 795 1 86 ARG QB 1 86 ARG QD 3.300 . 3.300 2.105 1.979 2.250 . 0 0 "[ . 1 .]" 1 796 1 86 ARG QB 1 87 GLU H 3.500 . 3.500 2.700 2.435 2.851 . 0 0 "[ . 1 .]" 1 797 1 86 ARG H 1 86 ARG QD 5.000 . 5.000 4.289 3.744 4.462 . 0 0 "[ . 1 .]" 1 798 1 87 GLU HA 1 88 GLU H 5.000 . 5.000 3.521 3.453 3.566 . 0 0 "[ . 1 .]" 1 799 1 87 GLU H 1 88 GLU H 3.500 . 3.500 2.597 2.415 2.853 . 0 0 "[ . 1 .]" 1 800 1 87 GLU H 1 89 LEU H 6.000 . 6.000 4.139 3.972 4.338 . 0 0 "[ . 1 .]" 1 801 1 87 GLU H 1 87 GLU QB 3.500 . 3.500 2.216 1.873 2.528 . 0 0 "[ . 1 .]" 1 802 1 87 GLU QB 1 88 GLU H 2.900 . 2.900 2.614 2.299 2.842 . 0 0 "[ . 1 .]" 1 803 1 87 GLU QB 1 89 LEU H 6.000 . 6.000 4.776 4.551 4.987 . 0 0 "[ . 1 .]" 1 804 1 87 GLU H 1 87 GLU QG 3.500 . 3.500 2.733 2.163 3.333 . 0 0 "[ . 1 .]" 1 805 1 88 GLU HA 1 88 GLU QG 3.300 . 3.300 2.583 2.231 3.087 . 0 0 "[ . 1 .]" 1 806 1 88 GLU HA 1 90 ASN H 5.000 . 5.000 4.387 4.142 4.661 . 0 0 "[ . 1 .]" 1 807 1 88 GLU H 1 89 LEU H 3.500 . 3.500 2.527 2.435 2.634 . 0 0 "[ . 1 .]" 1 808 1 88 GLU H 1 89 LEU MD1 5.000 . 5.500 4.406 3.280 4.596 . 0 0 "[ . 1 .]" 1 809 1 88 GLU H 1 90 ASN H 6.000 . 6.000 3.673 3.526 3.813 . 0 0 "[ . 1 .]" 1 810 1 88 GLU QB 1 90 ASN H 5.000 . 5.000 4.470 4.407 4.582 . 0 0 "[ . 1 .]" 1 811 1 88 GLU H 1 88 GLU QG 3.500 . 3.500 2.718 2.360 3.359 . 0 0 "[ . 1 .]" 1 812 1 88 GLU QG 1 89 LEU H 5.000 . 5.000 4.052 2.460 4.452 . 0 0 "[ . 1 .]" 1 813 1 89 LEU HA 1 89 LEU MD1 3.300 . 3.800 2.935 2.473 3.226 . 0 0 "[ . 1 .]" 1 814 1 89 LEU HA 1 90 ASN H 3.500 . 3.500 3.436 3.298 3.465 . 0 0 "[ . 1 .]" 1 815 1 89 LEU HA 1 91 LEU H 5.000 . 5.000 4.689 4.040 5.083 0.083 8 0 "[ . 1 .]" 1 816 1 89 LEU H 1 89 LEU HG 5.000 . 5.000 4.042 3.723 4.269 . 0 0 "[ . 1 .]" 1 817 1 89 LEU HG 1 90 ASN H 6.000 . 6.000 5.079 4.767 5.167 . 0 0 "[ . 1 .]" 1 818 1 89 LEU H 1 90 ASN H 3.500 . 3.500 2.359 2.084 2.523 . 0 0 "[ . 1 .]" 1 819 1 89 LEU H 1 91 LEU H 6.000 . 6.000 4.245 3.936 4.559 . 0 0 "[ . 1 .]" 1 820 1 89 LEU QB 1 90 ASN H 5.000 . 5.000 3.081 2.976 3.681 . 0 0 "[ . 1 .]" 1 821 1 89 LEU QB 1 91 LEU H 5.000 . 5.000 2.887 2.270 3.814 . 0 0 "[ . 1 .]" 1 822 1 89 LEU H 1 89 LEU MD1 3.500 . 4.000 2.768 1.908 2.984 . 0 0 "[ . 1 .]" 1 823 1 89 LEU MD1 1 90 ASN H 5.000 . 5.500 4.515 3.680 4.622 . 0 0 "[ . 1 .]" 1 824 1 89 LEU MD1 1 102 VAL MG1 5.000 . 6.000 3.716 3.069 4.162 . 0 0 "[ . 1 .]" 1 825 1 89 LEU MD1 1 102 VAL MG2 5.000 . 6.000 3.767 3.095 4.167 . 0 0 "[ . 1 .]" 1 826 1 89 LEU MD2 1 91 LEU MD1 5.000 . 6.000 1.862 1.729 2.216 0.071 2 0 "[ . 1 .]" 1 827 1 89 LEU MD2 1 104 LEU MD1 5.000 . 6.000 2.474 1.794 4.173 0.006 13 0 "[ . 1 .]" 1 828 1 90 ASN H 1 91 LEU HG 5.000 . 5.000 4.980 4.769 5.041 0.041 11 0 "[ . 1 .]" 1 829 1 90 ASN H 1 91 LEU H 5.000 . 5.000 2.787 2.617 2.943 . 0 0 "[ . 1 .]" 1 830 1 90 ASN H 1 90 ASN QB 3.500 . 3.500 2.979 2.842 3.128 . 0 0 "[ . 1 .]" 1 831 1 90 ASN QB 1 91 LEU H 5.000 . 5.000 3.835 3.551 3.952 . 0 0 "[ . 1 .]" 1 832 1 91 LEU HA 1 91 LEU MD2 3.300 . 3.800 2.825 2.688 2.981 . 0 0 "[ . 1 .]" 1 833 1 91 LEU H 1 92 ASN H 6.000 . 6.000 4.390 4.333 4.511 . 0 0 "[ . 1 .]" 1 834 1 91 LEU H 1 91 LEU QB 3.500 . 3.500 2.548 2.394 2.718 . 0 0 "[ . 1 .]" 1 835 1 91 LEU QB 1 92 ASN H 5.000 . 5.000 1.909 1.762 2.087 0.038 8 0 "[ . 1 .]" 1 836 1 91 LEU QB 1 102 VAL MG1 5.000 . 5.500 2.671 2.472 2.978 . 0 0 "[ . 1 .]" 1 837 1 91 LEU H 1 91 LEU MD1 3.500 . 4.000 3.332 3.067 3.375 . 0 0 "[ . 1 .]" 1 838 1 91 LEU MD2 1 92 ASN H 3.500 . 4.000 3.173 2.972 3.333 . 0 0 "[ . 1 .]" 1 839 1 91 LEU MD2 1 102 VAL MG1 5.000 . 6.000 3.586 3.282 3.986 . 0 0 "[ . 1 .]" 1 840 1 91 LEU MD2 1 104 LEU MD1 3.500 . 4.500 3.063 2.700 3.140 . 0 0 "[ . 1 .]" 1 841 1 92 ASN HA 1 93 PRO QD 5.000 . 5.000 2.026 1.983 2.067 . 0 0 "[ . 1 .]" 1 842 1 92 ASN H 1 102 VAL MG1 5.000 . 5.500 4.199 3.687 4.582 . 0 0 "[ . 1 .]" 1 843 1 92 ASN H 1 104 LEU HA 6.000 . 6.000 5.871 5.360 6.023 0.023 9 0 "[ . 1 .]" 1 844 1 92 ASN H 1 92 ASN QB 2.900 . 2.900 2.448 2.372 2.608 . 0 0 "[ . 1 .]" 1 845 1 92 ASN QD 1 94 THR HA 5.000 . 5.000 4.317 4.040 4.468 . 0 0 "[ . 1 .]" 1 846 1 93 PRO HA 1 102 VAL HA 5.000 . 5.000 2.676 2.255 3.288 . 0 0 "[ . 1 .]" 1 847 1 93 PRO HA 1 102 VAL MG2 5.000 . 5.500 2.796 1.971 3.457 . 0 0 "[ . 1 .]" 1 848 1 93 PRO QB 1 94 THR H 5.000 . 5.000 2.839 2.710 3.390 . 0 0 "[ . 1 .]" 1 849 1 93 PRO QB 1 102 VAL MG2 5.000 . 5.500 2.087 1.780 3.634 0.020 9 0 "[ . 1 .]" 1 850 1 94 THR HA 1 94 THR MG 3.300 . 3.800 2.443 2.280 2.498 . 0 0 "[ . 1 .]" 1 851 1 94 THR HA 1 101 ARG H 5.000 . 5.000 4.724 4.198 4.915 . 0 0 "[ . 1 .]" 1 852 1 94 THR H 1 94 THR HB 3.500 . 3.500 2.622 2.502 2.755 . 0 0 "[ . 1 .]" 1 853 1 94 THR HB 1 95 VAL H 5.000 . 5.000 4.130 3.828 4.368 . 0 0 "[ . 1 .]" 1 854 1 94 THR HB 1 101 ARG QB 5.000 . 5.000 2.831 2.105 4.402 . 0 0 "[ . 1 .]" 1 855 1 94 THR H 1 95 VAL H 6.000 . 6.000 4.384 4.251 4.539 . 0 0 "[ . 1 .]" 1 856 1 94 THR H 1 100 ILE HA 5.000 . 5.000 4.468 4.103 4.757 . 0 0 "[ . 1 .]" 1 857 1 94 THR H 1 100 ILE MG 5.000 . 5.500 3.269 2.852 3.700 . 0 0 "[ . 1 .]" 1 858 1 94 THR H 1 101 ARG H 5.000 . 5.000 3.095 2.265 3.566 . 0 0 "[ . 1 .]" 1 859 1 94 THR MG 1 95 VAL H 5.000 . 5.500 2.587 2.160 3.058 . 0 0 "[ . 1 .]" 1 860 1 94 THR MG 1 96 GLN HA 5.000 . 5.500 4.547 4.332 4.593 . 0 0 "[ . 1 .]" 1 861 1 95 VAL HA 1 95 VAL MG1 3.300 . 3.800 2.297 2.183 2.381 . 0 0 "[ . 1 .]" 1 862 1 95 VAL HA 1 95 VAL MG2 3.300 . 3.800 2.437 2.377 2.526 . 0 0 "[ . 1 .]" 1 863 1 95 VAL H 1 95 VAL HB 3.500 . 3.500 2.697 2.658 2.741 . 0 0 "[ . 1 .]" 1 864 1 95 VAL H 1 96 GLN HA 5.000 . 5.000 5.018 4.972 5.048 0.048 11 0 "[ . 1 .]" 1 865 1 95 VAL H 1 101 ARG H 5.000 . 5.000 4.852 4.552 5.006 0.006 8 0 "[ . 1 .]" 1 866 1 95 VAL MG1 1 96 GLN H 3.500 . 4.000 2.643 2.480 2.869 . 0 0 "[ . 1 .]" 1 867 1 95 VAL MG1 1 97 GLY H 5.000 . 5.500 4.016 3.848 4.245 . 0 0 "[ . 1 .]" 1 868 1 95 VAL MG1 1 98 ASN HA 5.000 . 5.500 3.600 3.409 3.925 . 0 0 "[ . 1 .]" 1 869 1 95 VAL H 1 95 VAL MG2 2.900 . 3.400 2.524 2.390 2.621 . 0 0 "[ . 1 .]" 1 870 1 95 VAL MG2 1 100 ILE QG 5.000 . 6.000 2.268 1.930 2.757 . 0 0 "[ . 1 .]" 1 871 1 96 GLN HA 1 96 GLN QE 5.000 . 5.000 3.985 3.039 4.456 . 0 0 "[ . 1 .]" 1 872 1 96 GLN HA 1 97 GLY H 2.900 . 2.900 2.151 2.136 2.164 . 0 0 "[ . 1 .]" 1 873 1 96 GLN HA 1 98 ASN H 5.000 . 5.000 4.912 4.600 5.036 0.036 5 0 "[ . 1 .]" 1 874 1 96 GLN HA 1 99 VAL H 5.000 . 5.000 4.739 4.611 4.822 . 0 0 "[ . 1 .]" 1 875 1 96 GLN H 1 97 GLY H 5.000 . 5.000 4.190 4.109 4.264 . 0 0 "[ . 1 .]" 1 876 1 96 GLN H 1 99 VAL H 3.500 . 3.500 3.020 2.776 3.178 . 0 0 "[ . 1 .]" 1 877 1 96 GLN H 1 100 ILE QG 5.000 . 5.500 4.536 4.147 4.892 . 0 0 "[ . 1 .]" 1 878 1 96 GLN H 1 96 GLN QB 3.500 . 3.500 2.793 2.476 3.129 . 0 0 "[ . 1 .]" 1 879 1 96 GLN QB 1 97 GLY H 5.000 . 5.000 3.363 3.225 3.486 . 0 0 "[ . 1 .]" 1 880 1 96 GLN H 1 96 GLN QG 3.500 . 3.500 2.697 1.961 3.125 . 0 0 "[ . 1 .]" 1 881 1 96 GLN QG 1 97 GLY H 5.000 . 5.000 4.323 4.151 4.466 . 0 0 "[ . 1 .]" 1 882 1 97 GLY H 1 98 ASN H 5.000 . 5.000 4.007 3.766 4.099 . 0 0 "[ . 1 .]" 1 883 1 97 GLY H 1 99 VAL H 5.000 . 5.000 4.605 4.525 4.675 . 0 0 "[ . 1 .]" 1 884 1 97 GLY QA 1 98 ASN H 3.500 . 3.500 2.321 2.271 2.448 . 0 0 "[ . 1 .]" 1 885 1 97 GLY QA 1 99 VAL H 5.000 . 5.000 3.805 3.642 3.987 . 0 0 "[ . 1 .]" 1 886 1 98 ASN HA 1 98 ASN QD 3.500 . 3.500 2.556 1.956 3.124 . 0 0 "[ . 1 .]" 1 887 1 98 ASN H 1 99 VAL HB 5.000 . 5.000 4.905 4.458 5.020 0.020 7 0 "[ . 1 .]" 1 888 1 98 ASN H 1 99 VAL H 3.500 . 3.500 1.907 1.814 1.979 . 0 0 "[ . 1 .]" 1 889 1 98 ASN H 1 99 VAL MG1 5.000 . 5.500 4.072 3.673 4.593 . 0 0 "[ . 1 .]" 1 890 1 98 ASN H 1 99 VAL MG2 5.000 . 5.500 2.314 2.219 2.483 . 0 0 "[ . 1 .]" 1 891 1 98 ASN H 1 98 ASN QB 3.500 . 3.500 2.777 2.667 2.930 . 0 0 "[ . 1 .]" 1 892 1 98 ASN QB 1 99 VAL H 5.000 . 5.000 3.692 3.603 3.767 . 0 0 "[ . 1 .]" 1 893 1 99 VAL HA 1 99 VAL MG1 3.300 . 3.800 2.085 1.956 2.192 . 0 0 "[ . 1 .]" 1 894 1 99 VAL HA 1 99 VAL MG2 3.300 . 3.800 3.090 2.853 3.167 . 0 0 "[ . 1 .]" 1 895 1 99 VAL HA 1 100 ILE H 3.500 . 3.500 2.249 2.145 2.292 . 0 0 "[ . 1 .]" 1 896 1 99 VAL H 1 99 VAL HB 3.500 . 3.500 3.529 3.255 3.595 0.095 11 0 "[ . 1 .]" 1 897 1 99 VAL HB 1 100 ILE H 5.000 . 5.000 2.989 2.785 3.358 . 0 0 "[ . 1 .]" 1 898 1 99 VAL H 1 100 ILE H 5.000 . 5.000 4.429 4.319 4.479 . 0 0 "[ . 1 .]" 1 899 1 99 VAL H 1 99 VAL MG2 3.500 . 4.000 2.041 1.939 2.257 . 0 0 "[ . 1 .]" 1 900 1 100 ILE H 1 100 ILE MD 3.500 . 4.000 3.182 2.475 3.345 . 0 0 "[ . 1 .]" 1 901 1 100 ILE MD 1 100 ILE MG 3.500 . 4.500 2.543 2.260 2.959 . 0 0 "[ . 1 .]" 1 902 1 100 ILE MD 1 102 VAL MG2 6.000 . 7.000 4.767 4.533 4.871 . 0 0 "[ . 1 .]" 1 903 1 100 ILE H 1 100 ILE QG 3.500 . 4.000 2.586 2.280 2.761 . 0 0 "[ . 1 .]" 1 904 1 101 ARG H 1 102 VAL H 5.000 . 5.000 4.395 4.222 4.493 . 0 0 "[ . 1 .]" 1 905 1 101 ARG H 1 101 ARG QB 3.500 . 3.500 2.496 2.248 2.906 . 0 0 "[ . 1 .]" 1 906 1 101 ARG QB 1 102 VAL H 5.000 . 5.000 3.313 2.961 3.859 . 0 0 "[ . 1 .]" 1 907 1 102 VAL HA 1 102 VAL MG1 3.300 . 3.800 2.305 2.107 2.479 . 0 0 "[ . 1 .]" 1 908 1 102 VAL HA 1 103 THR H 2.900 . 2.900 2.148 2.118 2.236 . 0 0 "[ . 1 .]" 1 909 1 102 VAL H 1 102 VAL HB 3.500 . 3.500 2.716 2.542 2.940 . 0 0 "[ . 1 .]" 1 910 1 102 VAL HB 1 103 THR H 5.000 . 5.000 4.159 3.987 4.309 . 0 0 "[ . 1 .]" 1 911 1 102 VAL H 1 103 THR H 5.000 . 5.000 4.310 4.178 4.519 . 0 0 "[ . 1 .]" 1 912 1 102 VAL MG1 1 103 THR H 3.500 . 4.000 2.544 2.155 2.752 . 0 0 "[ . 1 .]" 1 913 1 102 VAL MG1 1 104 LEU MD2 5.000 . 6.000 4.145 3.930 4.204 . 0 0 "[ . 1 .]" 1 914 1 102 VAL H 1 102 VAL MG2 3.500 . 4.000 2.684 2.379 2.993 . 0 0 "[ . 1 .]" 1 915 1 103 THR HA 1 103 THR MG 3.300 . 3.800 2.926 2.054 3.213 . 0 0 "[ . 1 .]" 1 916 1 103 THR H 1 103 THR HB 3.500 . 3.500 3.272 2.861 3.580 0.080 12 0 "[ . 1 .]" 1 917 1 103 THR H 1 104 LEU HA 5.000 . 5.000 4.872 4.614 5.016 0.016 15 0 "[ . 1 .]" 1 918 1 103 THR H 1 103 THR MG 3.500 . 4.000 2.321 1.928 3.359 . 0 0 "[ . 1 .]" 1 919 1 103 THR MG 1 104 LEU H 5.000 . 5.500 4.015 3.394 4.288 . 0 0 "[ . 1 .]" 1 920 1 103 THR MG 1 104 LEU MD1 6.000 . 7.000 4.522 4.149 4.873 . 0 0 "[ . 1 .]" 1 921 1 104 LEU HA 1 105 PRO QD 5.000 . 5.000 1.952 1.817 2.120 . 0 0 "[ . 1 .]" 1 922 1 104 LEU H 1 104 LEU HG 5.000 . 5.000 3.929 3.494 4.331 . 0 0 "[ . 1 .]" 1 923 1 104 LEU MD2 1 107 LEU MD1 5.000 . 6.000 4.006 2.855 4.187 . 0 0 "[ . 1 .]" 1 924 1 104 LEU MD2 1 107 LEU MD2 5.000 . 6.000 4.043 3.216 4.189 . 0 0 "[ . 1 .]" 1 925 1 105 PRO HA 1 106 PRO QD 5.000 . 5.000 2.040 1.893 2.161 . 0 0 "[ . 1 .]" 1 926 1 106 PRO HA 1 107 LEU H 5.000 . 5.000 2.152 2.142 2.162 . 0 0 "[ . 1 .]" 1 927 1 106 PRO QB 1 107 LEU H 5.000 . 5.000 3.474 3.246 3.512 . 0 0 "[ . 1 .]" 1 928 1 106 PRO QB 1 108 THR HA 6.000 . 6.000 4.753 4.214 5.151 . 0 0 "[ . 1 .]" 1 929 1 107 LEU HA 1 107 LEU MD2 3.300 . 3.800 2.699 2.250 3.272 . 0 0 "[ . 1 .]" 1 930 1 107 LEU HA 1 108 THR H 3.500 . 3.500 2.208 2.125 2.367 . 0 0 "[ . 1 .]" 1 931 1 107 LEU HA 1 112 ARG HE 5.000 . 5.000 4.368 3.384 5.005 0.005 1 0 "[ . 1 .]" 1 932 1 107 LEU H 1 107 LEU HG 3.500 . 3.500 2.526 1.952 3.646 0.146 1 0 "[ . 1 .]" 1 933 1 107 LEU HG 1 108 THR H 5.000 . 5.000 4.700 4.163 5.007 0.007 2 0 "[ . 1 .]" 1 934 1 107 LEU HG 1 112 ARG HE 5.000 . 5.000 4.434 3.114 5.039 0.039 15 0 "[ . 1 .]" 1 935 1 107 LEU H 1 107 LEU QB 3.500 . 3.500 2.446 2.238 2.612 . 0 0 "[ . 1 .]" 1 936 1 107 LEU QB 1 112 ARG HE 5.000 . 5.000 2.191 1.904 4.305 . 0 0 "[ . 1 .]" 1 937 1 107 LEU QB 1 112 ARG H 5.000 . 5.000 3.759 3.066 4.467 . 0 0 "[ . 1 .]" 1 938 1 107 LEU H 1 107 LEU MD1 3.500 . 4.000 2.936 2.300 3.351 . 0 0 "[ . 1 .]" 1 939 1 107 LEU MD2 1 108 THR H 5.000 . 5.500 4.002 2.845 4.581 . 0 0 "[ . 1 .]" 1 940 1 107 LEU MD2 1 111 ARG QD 5.000 . 5.500 3.468 1.970 4.122 . 0 0 "[ . 1 .]" 1 941 1 107 LEU MD2 1 112 ARG HE 5.000 . 5.500 3.656 1.898 4.563 . 0 0 "[ . 1 .]" 1 942 1 107 LEU MD2 1 112 ARG H 6.000 . 6.500 4.414 2.581 5.422 . 0 0 "[ . 1 .]" 1 943 1 108 THR HA 1 108 THR MG 3.300 . 3.800 2.390 2.188 2.585 . 0 0 "[ . 1 .]" 1 944 1 108 THR HA 1 109 GLU H 3.500 . 3.500 2.596 2.436 2.721 . 0 0 "[ . 1 .]" 1 945 1 108 THR HA 1 110 GLU H 5.000 . 5.000 4.610 4.140 4.930 . 0 0 "[ . 1 .]" 1 946 1 108 THR HA 1 111 ARG H 5.000 . 5.000 4.726 4.385 5.005 0.005 4 0 "[ . 1 .]" 1 947 1 108 THR HA 1 112 ARG H 5.000 . 5.000 4.922 4.615 5.037 0.037 9 0 "[ . 1 .]" 1 948 1 108 THR HB 1 109 GLU H 5.000 . 5.000 2.057 1.875 2.355 . 0 0 "[ . 1 .]" 1 949 1 108 THR HB 1 110 GLU H 5.000 . 5.000 3.226 2.707 3.842 . 0 0 "[ . 1 .]" 1 950 1 108 THR H 1 111 ARG QB 5.000 . 5.000 2.249 1.893 3.378 . 0 0 "[ . 1 .]" 1 951 1 108 THR H 1 112 ARG H 5.000 . 5.000 4.221 3.379 4.748 . 0 0 "[ . 1 .]" 1 952 1 108 THR H 1 108 THR MG 3.500 . 4.000 2.479 1.945 3.218 . 0 0 "[ . 1 .]" 1 953 1 108 THR MG 1 109 GLU H 5.000 . 5.500 3.484 3.126 3.703 . 0 0 "[ . 1 .]" 1 954 1 108 THR MG 1 110 GLU H 5.000 . 5.500 4.419 4.176 4.578 . 0 0 "[ . 1 .]" 1 955 1 109 GLU HA 1 110 GLU H 3.500 . 3.500 3.524 3.464 3.545 0.045 14 0 "[ . 1 .]" 1 956 1 109 GLU HA 1 112 ARG H 5.000 . 5.000 3.780 3.399 4.316 . 0 0 "[ . 1 .]" 1 957 1 109 GLU H 1 110 GLU H 5.000 . 5.000 2.807 2.564 2.934 . 0 0 "[ . 1 .]" 1 958 1 109 GLU H 1 109 GLU QB 3.500 . 3.500 2.236 2.058 2.571 . 0 0 "[ . 1 .]" 1 959 1 109 GLU QG 1 110 GLU H 5.000 . 5.000 3.966 2.377 4.456 . 0 0 "[ . 1 .]" 1 960 1 110 GLU HA 1 113 ARG QD 5.000 . 5.000 3.460 1.922 4.217 . 0 0 "[ . 1 .]" 1 961 1 110 GLU H 1 111 ARG H 5.000 . 5.000 2.663 2.480 2.855 . 0 0 "[ . 1 .]" 1 962 1 110 GLU H 1 111 ARG QB 5.000 . 5.000 4.379 4.169 4.476 . 0 0 "[ . 1 .]" 1 963 1 110 GLU H 1 112 ARG H 5.000 . 5.000 4.217 3.849 4.474 . 0 0 "[ . 1 .]" 1 964 1 110 GLU H 1 110 GLU QB 3.500 . 3.500 2.260 2.042 2.565 . 0 0 "[ . 1 .]" 1 965 1 111 ARG HA 1 111 ARG QD 3.300 . 3.300 2.537 1.934 2.981 . 0 0 "[ . 1 .]" 1 966 1 111 ARG H 1 112 ARG H 2.900 . 2.900 2.722 2.537 2.884 . 0 0 "[ . 1 .]" 1 967 1 111 ARG QB 1 112 ARG HE 5.000 . 5.000 4.106 2.581 4.489 . 0 0 "[ . 1 .]" 1 968 1 111 ARG QB 1 112 ARG H 3.500 . 3.500 2.625 2.438 2.827 . 0 0 "[ . 1 .]" 1 969 1 112 ARG HA 1 115 LEU H 5.000 . 5.000 3.670 3.246 4.064 . 0 0 "[ . 1 .]" 1 970 1 112 ARG HA 1 181 ILE MG 5.000 . 5.500 3.666 2.562 4.588 . 0 0 "[ . 1 .]" 1 971 1 112 ARG H 1 113 ARG H 3.500 . 3.500 2.680 2.523 3.080 . 0 0 "[ . 1 .]" 1 972 1 112 ARG H 1 113 ARG QD 5.000 . 5.000 4.276 3.443 4.578 . 0 0 "[ . 1 .]" 1 973 1 113 ARG HA 1 113 ARG QD 3.300 . 3.300 2.641 2.182 3.300 . 0 0 "[ . 1 .]" 1 974 1 113 ARG HA 1 114 GLU H 5.000 . 5.000 3.509 3.419 3.567 . 0 0 "[ . 1 .]" 1 975 1 113 ARG H 1 114 GLU H 3.500 . 3.500 2.698 2.494 2.821 . 0 0 "[ . 1 .]" 1 976 1 113 ARG H 1 113 ARG QB 3.500 . 3.500 2.305 2.049 2.989 . 0 0 "[ . 1 .]" 1 977 1 114 GLU H 1 115 LEU H 3.500 . 3.500 2.815 2.669 2.921 . 0 0 "[ . 1 .]" 1 978 1 114 GLU QB 1 115 LEU H 3.500 . 3.500 2.491 2.329 2.639 . 0 0 "[ . 1 .]" 1 979 1 115 LEU HA 1 116 VAL H 5.000 . 5.000 3.557 3.515 3.577 . 0 0 "[ . 1 .]" 1 980 1 115 LEU HA 1 118 LEU H 5.000 . 5.000 3.391 3.067 3.693 . 0 0 "[ . 1 .]" 1 981 1 115 LEU H 1 115 LEU HG 5.000 . 5.000 4.271 3.754 4.631 . 0 0 "[ . 1 .]" 1 982 1 115 LEU H 1 116 VAL HA 6.000 . 6.000 5.339 5.251 5.412 . 0 0 "[ . 1 .]" 1 983 1 115 LEU H 1 116 VAL H 2.900 . 2.900 2.763 2.670 2.853 . 0 0 "[ . 1 .]" 1 984 1 115 LEU H 1 117 ARG H 5.000 . 5.000 4.229 3.982 4.479 . 0 0 "[ . 1 .]" 1 985 1 115 LEU H 1 115 LEU MD1 3.500 . 4.000 3.379 3.337 3.482 . 0 0 "[ . 1 .]" 1 986 1 115 LEU MD1 1 118 LEU MD1 5.000 . 6.000 3.806 2.566 4.166 . 0 0 "[ . 1 .]" 1 987 1 116 VAL HA 1 116 VAL MG1 3.300 . 3.800 2.599 1.961 3.050 . 0 0 "[ . 1 .]" 1 988 1 116 VAL HA 1 116 VAL MG2 3.300 . 3.800 2.552 1.910 3.197 . 0 0 "[ . 1 .]" 1 989 1 116 VAL HA 1 119 LEU H 5.000 . 5.000 3.513 3.333 3.706 . 0 0 "[ . 1 .]" 1 990 1 116 VAL H 1 117 ARG H 3.500 . 3.500 2.758 2.625 2.916 . 0 0 "[ . 1 .]" 1 991 1 116 VAL H 1 119 LEU H 5.000 . 5.000 4.719 4.535 5.015 0.015 15 0 "[ . 1 .]" 1 992 1 116 VAL H 1 116 VAL MG1 3.500 . 4.000 2.956 1.977 3.377 . 0 0 "[ . 1 .]" 1 993 1 116 VAL MG1 1 117 ARG H 5.000 . 5.500 3.057 2.032 4.143 . 0 0 "[ . 1 .]" 1 994 1 116 VAL MG1 1 120 HIS HE1 5.000 . 5.500 3.319 2.433 4.583 . 0 0 "[ . 1 .]" 1 995 1 116 VAL MG1 1 181 ILE MD 5.000 . 6.000 3.656 2.290 4.197 . 0 0 "[ . 1 .]" 1 996 1 116 VAL H 1 116 VAL MG2 3.500 . 4.000 2.635 1.825 3.368 . 0 0 "[ . 1 .]" 1 997 1 116 VAL MG2 1 117 ARG H 5.000 . 5.500 3.138 1.873 4.234 . 0 0 "[ . 1 .]" 1 998 1 116 VAL MG2 1 120 HIS H 6.000 . 6.500 5.074 4.681 5.435 . 0 0 "[ . 1 .]" 1 999 1 116 VAL MG2 1 181 ILE MG 5.000 . 6.000 3.161 1.646 4.183 0.154 15 0 "[ . 1 .]" 1 1000 1 116 VAL MG2 1 182 MET ME 3.300 . 4.300 2.661 1.901 2.997 . 0 0 "[ . 1 .]" 1 1001 1 117 ARG HA 1 118 LEU H 5.000 . 5.000 3.490 3.435 3.529 . 0 0 "[ . 1 .]" 1 1002 1 117 ARG HA 1 120 HIS QB 5.000 . 5.000 2.017 1.871 2.361 . 0 0 "[ . 1 .]" 1 1003 1 117 ARG HA 1 121 LYS H 5.000 . 5.000 4.314 3.977 4.599 . 0 0 "[ . 1 .]" 1 1004 1 117 ARG H 1 118 LEU H 3.500 . 3.500 2.571 2.430 2.723 . 0 0 "[ . 1 .]" 1 1005 1 117 ARG H 1 117 ARG QB 3.500 . 3.500 2.129 2.043 2.402 . 0 0 "[ . 1 .]" 1 1006 1 117 ARG QB 1 118 LEU H 3.500 . 3.500 2.767 2.334 3.148 . 0 0 "[ . 1 .]" 1 1007 1 117 ARG H 1 117 ARG QD 3.500 . 3.500 2.719 2.395 3.158 . 0 0 "[ . 1 .]" 1 1008 1 118 LEU HA 1 121 LYS H 5.000 . 5.000 3.333 3.149 3.522 . 0 0 "[ . 1 .]" 1 1009 1 118 LEU HA 1 121 LYS QB 5.000 . 5.000 2.957 2.431 3.519 . 0 0 "[ . 1 .]" 1 1010 1 118 LEU HG 1 121 LYS H 5.000 . 5.000 5.089 5.029 5.148 0.148 7 0 "[ . 1 .]" 1 1011 1 118 LEU H 1 119 LEU H 3.500 . 3.500 2.635 2.443 2.879 . 0 0 "[ . 1 .]" 1 1012 1 118 LEU H 1 118 LEU QB 3.500 . 3.500 2.100 2.037 2.152 . 0 0 "[ . 1 .]" 1 1013 1 118 LEU QB 1 119 LEU H 5.000 . 5.000 2.763 2.658 2.861 . 0 0 "[ . 1 .]" 1 1014 1 118 LEU QB 1 120 HIS H 5.000 . 5.000 4.464 4.314 4.578 . 0 0 "[ . 1 .]" 1 1015 1 118 LEU H 1 118 LEU MD1 3.500 . 4.000 3.223 2.875 3.370 . 0 0 "[ . 1 .]" 1 1016 1 119 LEU HA 1 119 LEU MD1 3.300 . 3.800 2.330 1.909 2.658 . 0 0 "[ . 1 .]" 1 1017 1 119 LEU HA 1 120 HIS H 3.500 . 3.500 3.423 3.388 3.459 . 0 0 "[ . 1 .]" 1 1018 1 119 LEU H 1 120 HIS H 5.000 . 5.000 2.242 2.183 2.410 . 0 0 "[ . 1 .]" 1 1019 1 119 LEU H 1 121 LYS QB 6.000 . 6.000 5.043 4.681 5.373 . 0 0 "[ . 1 .]" 1 1020 1 119 LEU H 1 122 ILE MD 5.000 . 5.500 4.640 4.616 4.656 . 0 0 "[ . 1 .]" 1 1021 1 119 LEU H 1 122 ILE QG 5.000 . 5.500 3.848 3.749 3.936 . 0 0 "[ . 1 .]" 1 1022 1 119 LEU H 1 119 LEU MD1 3.500 . 4.000 2.997 2.285 3.344 . 0 0 "[ . 1 .]" 1 1023 1 119 LEU MD1 1 122 ILE MD 5.000 . 6.000 4.124 3.920 4.181 . 0 0 "[ . 1 .]" 1 1024 1 119 LEU MD2 1 178 GLU H 5.000 . 5.500 4.221 2.404 4.605 . 0 0 "[ . 1 .]" 1 1025 1 120 HIS HA 1 120 HIS HD2 3.300 . 3.300 2.290 2.115 2.923 . 0 0 "[ . 1 .]" 1 1026 1 120 HIS H 1 121 LYS H 5.000 . 5.000 2.821 2.460 3.017 . 0 0 "[ . 1 .]" 1 1027 1 120 HIS H 1 122 ILE QG 5.000 . 5.500 4.173 3.886 4.716 . 0 0 "[ . 1 .]" 1 1028 1 120 HIS QB 1 121 LYS H 5.000 . 5.000 2.755 2.372 2.930 . 0 0 "[ . 1 .]" 1 1029 1 121 LYS HA 1 122 ILE H 5.000 . 5.000 3.501 3.445 3.610 . 0 0 "[ . 1 .]" 1 1030 1 121 LYS HA 1 123 THR H 5.000 . 5.000 4.542 4.220 4.833 . 0 0 "[ . 1 .]" 1 1031 1 121 LYS H 1 122 ILE HB 5.000 . 5.000 5.042 4.953 5.124 0.124 15 0 "[ . 1 .]" 1 1032 1 121 LYS H 1 122 ILE H 3.500 . 3.500 2.477 2.282 2.881 . 0 0 "[ . 1 .]" 1 1033 1 121 LYS H 1 122 ILE MD 5.000 . 5.500 3.744 3.582 3.972 . 0 0 "[ . 1 .]" 1 1034 1 121 LYS H 1 122 ILE QG 5.000 . 5.500 3.695 3.339 4.527 . 0 0 "[ . 1 .]" 1 1035 1 121 LYS QB 1 122 ILE H 5.000 . 5.000 2.741 2.336 3.409 . 0 0 "[ . 1 .]" 1 1036 1 122 ILE HA 1 122 ILE MD 3.300 . 3.800 2.161 1.945 2.323 . 0 0 "[ . 1 .]" 1 1037 1 122 ILE HA 1 122 ILE QG 3.300 . 3.800 3.233 3.180 3.320 . 0 0 "[ . 1 .]" 1 1038 1 122 ILE HA 1 122 ILE MG 3.300 . 3.800 2.199 2.077 2.402 . 0 0 "[ . 1 .]" 1 1039 1 122 ILE HA 1 124 GLU H 5.000 . 5.000 4.531 4.140 4.758 . 0 0 "[ . 1 .]" 1 1040 1 122 ILE HA 1 124 GLU QB 6.000 . 6.000 5.197 4.821 5.362 . 0 0 "[ . 1 .]" 1 1041 1 122 ILE HA 1 125 GLU QB 5.000 . 5.000 2.565 2.159 2.903 . 0 0 "[ . 1 .]" 1 1042 1 122 ILE H 1 123 THR H 3.500 . 3.500 2.680 2.454 2.866 . 0 0 "[ . 1 .]" 1 1043 1 122 ILE H 1 122 ILE MD 3.500 . 4.000 2.270 1.859 2.619 . 0 0 "[ . 1 .]" 1 1044 1 122 ILE MD 1 122 ILE MG 3.500 . 4.500 2.258 2.030 2.720 . 0 0 "[ . 1 .]" 1 1045 1 122 ILE H 1 122 ILE QG 3.500 . 4.000 2.007 1.754 2.455 0.046 7 0 "[ . 1 .]" 1 1046 1 122 ILE QG 1 123 THR H 5.000 . 5.500 3.515 3.395 3.751 . 0 0 "[ . 1 .]" 1 1047 1 122 ILE MG 1 123 THR H 5.000 . 5.500 3.693 3.302 4.020 . 0 0 "[ . 1 .]" 1 1048 1 122 ILE MG 1 126 ALA MB 5.000 . 6.000 3.974 3.409 4.178 . 0 0 "[ . 1 .]" 1 1049 1 122 ILE MG 1 173 LEU MD2 6.000 . 7.000 4.813 4.270 4.871 . 0 0 "[ . 1 .]" 1 1050 1 123 THR HA 1 123 THR MG 3.300 . 3.800 2.357 2.193 2.473 . 0 0 "[ . 1 .]" 1 1051 1 123 THR HA 1 124 GLU H 5.000 . 5.000 3.561 3.465 3.613 . 0 0 "[ . 1 .]" 1 1052 1 123 THR HA 1 126 ALA H 5.000 . 5.000 3.540 3.086 3.852 . 0 0 "[ . 1 .]" 1 1053 1 123 THR H 1 124 GLU H 5.000 . 5.000 2.842 2.724 2.995 . 0 0 "[ . 1 .]" 1 1054 1 123 THR H 1 125 GLU H 5.000 . 5.000 4.079 3.896 4.344 . 0 0 "[ . 1 .]" 1 1055 1 123 THR MG 1 124 GLU H 5.000 . 5.500 3.584 3.297 3.885 . 0 0 "[ . 1 .]" 1 1056 1 123 THR MG 1 125 GLU H 6.000 . 6.500 5.028 4.836 5.176 . 0 0 "[ . 1 .]" 1 1057 1 123 THR MG 1 170 ILE MG 5.000 . 6.000 3.828 3.332 4.170 . 0 0 "[ . 1 .]" 1 1058 1 124 GLU HA 1 127 ARG H 5.000 . 5.000 3.502 3.232 3.967 . 0 0 "[ . 1 .]" 1 1059 1 124 GLU HA 1 127 ARG QB 5.000 . 5.000 3.017 2.529 4.147 . 0 0 "[ . 1 .]" 1 1060 1 124 GLU H 1 125 GLU H 3.500 . 3.500 2.604 2.510 2.792 . 0 0 "[ . 1 .]" 1 1061 1 124 GLU H 1 125 GLU QB 5.000 . 5.000 4.314 4.174 4.420 . 0 0 "[ . 1 .]" 1 1062 1 124 GLU H 1 126 ALA H 5.000 . 5.000 4.235 4.033 4.496 . 0 0 "[ . 1 .]" 1 1063 1 124 GLU H 1 124 GLU QB 3.500 . 3.500 2.160 2.040 2.489 . 0 0 "[ . 1 .]" 1 1064 1 124 GLU QB 1 126 ALA H 6.000 . 6.000 4.764 4.434 4.980 . 0 0 "[ . 1 .]" 1 1065 1 124 GLU QG 1 125 GLU H 5.000 . 5.000 4.270 3.984 4.464 . 0 0 "[ . 1 .]" 1 1066 1 125 GLU HA 1 126 ALA H 5.000 . 5.000 3.528 3.474 3.569 . 0 0 "[ . 1 .]" 1 1067 1 125 GLU HA 1 128 VAL H 5.000 . 5.000 3.570 3.433 3.701 . 0 0 "[ . 1 .]" 1 1068 1 125 GLU HA 1 128 VAL MG2 5.000 . 5.500 2.204 1.955 2.769 . 0 0 "[ . 1 .]" 1 1069 1 125 GLU HA 1 129 ARG H 5.000 . 5.000 4.622 4.355 4.827 . 0 0 "[ . 1 .]" 1 1070 1 125 GLU H 1 126 ALA H 5.000 . 5.000 2.679 2.544 2.793 . 0 0 "[ . 1 .]" 1 1071 1 125 GLU H 1 126 ALA MB 5.000 . 5.500 4.318 4.185 4.430 . 0 0 "[ . 1 .]" 1 1072 1 125 GLU H 1 125 GLU QB 3.500 . 3.500 2.134 2.048 2.232 . 0 0 "[ . 1 .]" 1 1073 1 125 GLU QB 1 126 ALA H 5.000 . 5.000 2.665 2.459 2.873 . 0 0 "[ . 1 .]" 1 1074 1 126 ALA HA 1 128 VAL H 5.000 . 5.000 4.337 4.190 4.596 . 0 0 "[ . 1 .]" 1 1075 1 126 ALA HA 1 129 ARG H 5.000 . 5.000 3.477 3.342 3.793 . 0 0 "[ . 1 .]" 1 1076 1 126 ALA HA 1 129 ARG QB 5.000 . 5.000 2.940 2.682 3.322 . 0 0 "[ . 1 .]" 1 1077 1 126 ALA HA 1 129 ARG QD 5.000 . 5.000 3.796 2.544 4.479 . 0 0 "[ . 1 .]" 1 1078 1 126 ALA H 1 127 ARG H 3.500 . 3.500 2.696 2.508 2.882 . 0 0 "[ . 1 .]" 1 1079 1 126 ALA H 1 128 VAL H 5.000 . 5.000 4.114 3.943 4.361 . 0 0 "[ . 1 .]" 1 1080 1 126 ALA MB 1 130 VAL H 5.000 . 5.500 4.594 4.547 4.623 . 0 0 "[ . 1 .]" 1 1081 1 126 ALA MB 1 166 TYR QD 5.000 . 5.500 3.916 3.484 4.101 . 0 0 "[ . 1 .]" 1 1082 1 126 ALA MB 1 170 ILE MD 5.000 . 6.000 1.882 1.650 2.265 0.150 9 0 "[ . 1 .]" 1 1083 1 126 ALA MB 1 170 ILE MG 5.000 . 6.000 3.716 3.178 4.165 . 0 0 "[ . 1 .]" 1 1084 1 127 ARG HA 1 129 ARG QB 6.000 . 6.000 4.977 4.754 5.263 . 0 0 "[ . 1 .]" 1 1085 1 127 ARG HA 1 170 ILE MD 5.000 . 5.500 4.318 3.968 4.605 . 0 0 "[ . 1 .]" 1 1086 1 127 ARG H 1 128 VAL H 3.500 . 3.500 2.722 2.657 2.800 . 0 0 "[ . 1 .]" 1 1087 1 127 ARG H 1 127 ARG QB 3.500 . 3.500 2.252 2.043 2.592 . 0 0 "[ . 1 .]" 1 1088 1 128 VAL HA 1 128 VAL MG1 3.300 . 3.800 2.308 2.056 2.387 . 0 0 "[ . 1 .]" 1 1089 1 128 VAL HA 1 128 VAL MG2 3.300 . 3.800 2.478 2.383 3.071 . 0 0 "[ . 1 .]" 1 1090 1 128 VAL HA 1 132 ASN H 5.000 . 5.000 4.197 3.723 4.663 . 0 0 "[ . 1 .]" 1 1091 1 128 VAL H 1 128 VAL HB 3.500 . 3.500 2.709 2.610 3.474 . 0 0 "[ . 1 .]" 1 1092 1 128 VAL H 1 129 ARG H 3.500 . 3.500 2.717 2.634 2.845 . 0 0 "[ . 1 .]" 1 1093 1 128 VAL H 1 130 VAL H 5.000 . 5.000 4.324 4.178 4.488 . 0 0 "[ . 1 .]" 1 1094 1 128 VAL MG1 1 128 VAL MG2 2.700 . 3.700 2.034 1.931 2.084 . 0 0 "[ . 1 .]" 1 1095 1 128 VAL MG1 1 129 ARG H 5.000 . 5.500 3.667 3.456 4.294 . 0 0 "[ . 1 .]" 1 1096 1 128 VAL MG1 1 132 ASN QD 5.000 . 5.500 2.863 1.853 4.083 . 0 0 "[ . 1 .]" 1 1097 1 128 VAL H 1 128 VAL MG2 3.500 . 4.000 2.005 1.708 2.103 0.092 4 0 "[ . 1 .]" 1 1098 1 128 VAL MG2 1 129 ARG H 5.000 . 5.500 3.675 2.603 3.821 . 0 0 "[ . 1 .]" 1 1099 1 129 ARG HA 1 132 ASN QB 5.000 . 5.000 2.661 2.008 3.251 . 0 0 "[ . 1 .]" 1 1100 1 129 ARG HA 1 132 ASN QD 5.000 . 5.000 3.267 1.975 4.458 . 0 0 "[ . 1 .]" 1 1101 1 129 ARG H 1 130 VAL HB 5.000 . 5.000 4.933 4.762 5.044 0.044 10 0 "[ . 1 .]" 1 1102 1 129 ARG H 1 130 VAL H 3.500 . 3.500 2.645 2.541 2.872 . 0 0 "[ . 1 .]" 1 1103 1 129 ARG H 1 131 ARG H 5.000 . 5.000 4.165 3.987 4.315 . 0 0 "[ . 1 .]" 1 1104 1 129 ARG H 1 129 ARG QB 3.500 . 3.500 2.208 2.068 2.542 . 0 0 "[ . 1 .]" 1 1105 1 130 VAL HA 1 130 VAL MG1 3.300 . 3.800 2.303 2.142 2.420 . 0 0 "[ . 1 .]" 1 1106 1 130 VAL HA 1 130 VAL MG2 3.300 . 3.800 2.430 2.314 2.516 . 0 0 "[ . 1 .]" 1 1107 1 130 VAL HA 1 133 VAL MG2 5.000 . 5.500 2.446 2.017 2.997 . 0 0 "[ . 1 .]" 1 1108 1 130 VAL H 1 130 VAL HB 3.500 . 3.500 2.660 2.577 2.730 . 0 0 "[ . 1 .]" 1 1109 1 130 VAL HB 1 131 ARG H 5.000 . 5.000 2.477 2.292 2.749 . 0 0 "[ . 1 .]" 1 1110 1 130 VAL H 1 131 ARG H 2.900 . 2.900 2.771 2.621 2.900 0.000 1 0 "[ . 1 .]" 1 1111 1 130 VAL H 1 132 ASN H 5.000 . 5.000 4.054 3.702 4.461 . 0 0 "[ . 1 .]" 1 1112 1 130 VAL MG1 1 131 ARG H 5.000 . 5.500 3.524 3.408 3.683 . 0 0 "[ . 1 .]" 1 1113 1 130 VAL MG1 1 166 TYR QD 5.000 . 5.500 3.235 2.151 3.741 . 0 0 "[ . 1 .]" 1 1114 1 130 VAL MG1 1 167 ILE MD 5.000 . 6.000 3.029 2.058 3.989 . 0 0 "[ . 1 .]" 1 1115 1 130 VAL H 1 130 VAL MG2 3.500 . 4.000 2.028 1.878 2.130 . 0 0 "[ . 1 .]" 1 1116 1 130 VAL MG2 1 131 ARG H 5.000 . 5.500 3.690 3.432 3.876 . 0 0 "[ . 1 .]" 1 1117 1 130 VAL MG2 1 170 ILE MD 5.000 . 6.000 4.127 3.682 4.187 . 0 0 "[ . 1 .]" 1 1118 1 131 ARG H 1 132 ASN H 3.500 . 3.500 2.653 2.534 2.809 . 0 0 "[ . 1 .]" 1 1119 1 131 ARG H 1 131 ARG QD 3.500 . 3.500 2.818 1.972 3.166 . 0 0 "[ . 1 .]" 1 1120 1 132 ASN HA 1 135 ARG H 5.000 . 5.000 3.561 3.151 3.911 . 0 0 "[ . 1 .]" 1 1121 1 132 ASN HA 1 135 ARG QB 5.000 . 5.000 2.632 1.966 3.358 . 0 0 "[ . 1 .]" 1 1122 1 132 ASN H 1 133 VAL H 3.500 . 3.500 2.574 2.414 2.750 . 0 0 "[ . 1 .]" 1 1123 1 132 ASN H 1 133 VAL MG2 5.000 . 5.500 4.014 3.804 4.598 . 0 0 "[ . 1 .]" 1 1124 1 132 ASN H 1 134 ARG H 5.000 . 5.000 4.341 4.037 4.659 . 0 0 "[ . 1 .]" 1 1125 1 132 ASN H 1 132 ASN QB 3.500 . 3.500 2.262 2.082 2.616 . 0 0 "[ . 1 .]" 1 1126 1 132 ASN QB 1 133 VAL H 5.000 . 5.000 2.837 2.741 2.911 . 0 0 "[ . 1 .]" 1 1127 1 133 VAL HA 1 133 VAL MG1 3.300 . 3.800 2.373 2.223 2.585 . 0 0 "[ . 1 .]" 1 1128 1 133 VAL HA 1 133 VAL MG2 3.300 . 3.800 2.386 2.220 2.471 . 0 0 "[ . 1 .]" 1 1129 1 133 VAL HA 1 136 GLU H 5.000 . 5.000 3.586 3.269 4.194 . 0 0 "[ . 1 .]" 1 1130 1 133 VAL H 1 133 VAL HB 3.500 . 3.500 2.525 2.291 2.609 . 0 0 "[ . 1 .]" 1 1131 1 133 VAL HB 1 134 ARG H 3.500 . 3.500 2.447 2.340 2.663 . 0 0 "[ . 1 .]" 1 1132 1 133 VAL H 1 134 ARG HA 6.000 . 6.000 5.227 5.072 5.366 . 0 0 "[ . 1 .]" 1 1133 1 133 VAL H 1 134 ARG H 3.500 . 3.500 2.625 2.447 2.788 . 0 0 "[ . 1 .]" 1 1134 1 133 VAL H 1 135 ARG H 5.000 . 5.000 3.940 3.765 4.282 . 0 0 "[ . 1 .]" 1 1135 1 133 VAL MG1 1 134 ARG H 5.000 . 5.500 3.311 2.772 3.605 . 0 0 "[ . 1 .]" 1 1136 1 133 VAL H 1 133 VAL MG2 3.500 . 4.000 2.234 1.974 2.696 . 0 0 "[ . 1 .]" 1 1137 1 133 VAL MG2 1 134 ARG H 5.000 . 5.500 3.760 3.640 3.952 . 0 0 "[ . 1 .]" 1 1138 1 133 VAL MG2 1 137 ALA MB 6.000 . 7.000 4.862 4.781 4.904 . 0 0 "[ . 1 .]" 1 1139 1 134 ARG HA 1 138 LYS H 5.000 . 5.000 3.706 3.417 3.957 . 0 0 "[ . 1 .]" 1 1140 1 134 ARG H 1 135 ARG H 3.500 . 3.500 2.661 2.454 2.840 . 0 0 "[ . 1 .]" 1 1141 1 134 ARG QB 1 136 GLU H 6.000 . 6.000 4.883 4.472 5.368 . 0 0 "[ . 1 .]" 1 1142 1 134 ARG QD 1 163 THR MG 5.000 . 5.500 3.459 2.168 4.090 . 0 0 "[ . 1 .]" 1 1143 1 135 ARG HA 1 138 LYS H 5.000 . 5.000 3.941 3.706 4.119 . 0 0 "[ . 1 .]" 1 1144 1 135 ARG H 1 136 GLU HA 6.000 . 6.000 5.280 5.153 5.533 . 0 0 "[ . 1 .]" 1 1145 1 135 ARG H 1 136 GLU H 3.500 . 3.500 2.675 2.477 3.068 . 0 0 "[ . 1 .]" 1 1146 1 135 ARG H 1 137 ALA H 5.000 . 5.000 4.063 3.741 4.322 . 0 0 "[ . 1 .]" 1 1147 1 135 ARG H 1 138 LYS H 5.000 . 5.000 4.764 4.469 5.019 0.019 2 0 "[ . 1 .]" 1 1148 1 135 ARG QB 1 135 ARG QD 3.300 . 3.300 2.071 1.969 2.182 . 0 0 "[ . 1 .]" 1 1149 1 135 ARG QB 1 136 GLU H 3.500 . 3.500 2.585 2.361 2.764 . 0 0 "[ . 1 .]" 1 1150 1 136 GLU HA 1 136 GLU QB 2.700 . 2.700 2.376 2.177 2.421 . 0 0 "[ . 1 .]" 1 1151 1 136 GLU HA 1 137 ALA H 5.000 . 5.000 3.527 3.462 3.578 . 0 0 "[ . 1 .]" 1 1152 1 136 GLU HA 1 139 GLU H 3.500 . 3.500 3.451 3.165 3.573 0.073 14 0 "[ . 1 .]" 1 1153 1 136 GLU H 1 137 ALA H 3.500 . 3.500 2.556 2.391 2.830 . 0 0 "[ . 1 .]" 1 1154 1 136 GLU H 1 137 ALA MB 5.000 . 5.500 4.176 4.054 4.435 . 0 0 "[ . 1 .]" 1 1155 1 136 GLU QB 1 137 ALA H 3.500 . 3.500 2.561 2.269 3.162 . 0 0 "[ . 1 .]" 1 1156 1 136 GLU QG 1 137 ALA HA 5.000 . 5.000 3.867 3.318 4.198 . 0 0 "[ . 1 .]" 1 1157 1 136 GLU QG 1 139 GLU H 6.000 . 6.000 4.805 4.459 5.166 . 0 0 "[ . 1 .]" 1 1158 1 137 ALA HA 1 141 ILE MD 5.000 . 5.500 3.593 3.216 4.382 . 0 0 "[ . 1 .]" 1 1159 1 137 ALA H 1 138 LYS HA 6.000 . 6.000 5.389 5.262 5.475 . 0 0 "[ . 1 .]" 1 1160 1 137 ALA H 1 138 LYS H 3.500 . 3.500 2.808 2.669 2.920 . 0 0 "[ . 1 .]" 1 1161 1 137 ALA H 1 139 GLU H 5.000 . 5.000 4.173 3.976 4.394 . 0 0 "[ . 1 .]" 1 1162 1 137 ALA MB 1 138 LYS H 5.000 . 5.500 2.473 2.422 2.696 . 0 0 "[ . 1 .]" 1 1163 1 137 ALA MB 1 141 ILE MD 5.000 . 6.000 3.384 2.987 3.932 . 0 0 "[ . 1 .]" 1 1164 1 138 LYS HA 1 141 ILE MD 5.000 . 5.500 3.770 3.010 4.589 . 0 0 "[ . 1 .]" 1 1165 1 138 LYS HA 1 156 LEU MD2 6.000 . 6.500 5.442 5.430 5.458 . 0 0 "[ . 1 .]" 1 1166 1 138 LYS H 1 139 GLU H 5.000 . 5.000 2.653 2.413 2.847 . 0 0 "[ . 1 .]" 1 1167 1 138 LYS H 1 141 ILE H 5.000 . 5.000 4.983 4.726 5.045 0.045 2 0 "[ . 1 .]" 1 1168 1 138 LYS H 1 141 ILE QG 5.000 . 5.500 4.290 4.059 4.482 . 0 0 "[ . 1 .]" 1 1169 1 138 LYS QB 1 139 GLU H 5.000 . 5.000 2.595 2.354 2.828 . 0 0 "[ . 1 .]" 1 1170 1 138 LYS H 1 138 LYS QG 3.500 . 3.500 2.667 2.249 2.928 . 0 0 "[ . 1 .]" 1 1171 1 138 LYS QG 1 156 LEU MD1 5.000 . 5.500 2.958 2.119 4.082 . 0 0 "[ . 1 .]" 1 1172 1 139 GLU HA 1 142 GLU QG 5.000 . 5.000 1.904 1.742 2.520 0.058 12 0 "[ . 1 .]" 1 1173 1 139 GLU H 1 140 MET H 3.500 . 3.500 2.645 2.504 2.746 . 0 0 "[ . 1 .]" 1 1174 1 139 GLU H 1 139 GLU QB 3.500 . 3.500 2.248 2.082 2.523 . 0 0 "[ . 1 .]" 1 1175 1 139 GLU QB 1 140 MET H 5.000 . 5.000 2.941 2.720 3.519 . 0 0 "[ . 1 .]" 1 1176 1 139 GLU H 1 139 GLU QG 3.500 . 3.500 2.706 2.046 3.122 . 0 0 "[ . 1 .]" 1 1177 1 140 MET HA 1 140 MET QG 3.300 . 3.300 2.352 2.088 2.595 . 0 0 "[ . 1 .]" 1 1178 1 140 MET HA 1 142 GLU H 5.000 . 5.000 4.610 4.278 4.862 . 0 0 "[ . 1 .]" 1 1179 1 140 MET HA 1 143 GLU H 5.000 . 5.000 3.681 3.336 4.253 . 0 0 "[ . 1 .]" 1 1180 1 140 MET H 1 141 ILE H 3.500 . 3.500 2.645 2.491 2.738 . 0 0 "[ . 1 .]" 1 1181 1 140 MET H 1 141 ILE QG 5.000 . 5.500 3.783 3.545 4.198 . 0 0 "[ . 1 .]" 1 1182 1 140 MET H 1 142 GLU H 5.000 . 5.000 4.073 3.681 4.306 . 0 0 "[ . 1 .]" 1 1183 1 140 MET H 1 142 GLU QG 5.000 . 5.000 4.104 3.827 4.496 . 0 0 "[ . 1 .]" 1 1184 1 140 MET H 1 140 MET QG 3.500 . 3.500 2.767 2.465 3.105 . 0 0 "[ . 1 .]" 1 1185 1 141 ILE HA 1 141 ILE MD 3.300 . 3.800 2.375 2.061 2.721 . 0 0 "[ . 1 .]" 1 1186 1 141 ILE HA 1 141 ILE QG 3.300 . 3.800 3.314 3.174 3.386 . 0 0 "[ . 1 .]" 1 1187 1 141 ILE HA 1 141 ILE MG 3.300 . 3.800 2.055 1.974 2.266 . 0 0 "[ . 1 .]" 1 1188 1 141 ILE HA 1 144 LEU H 5.000 . 5.000 3.423 3.213 3.772 . 0 0 "[ . 1 .]" 1 1189 1 141 ILE HA 1 144 LEU MD2 5.000 . 5.500 4.250 2.780 4.591 . 0 0 "[ . 1 .]" 1 1190 1 141 ILE HB 1 142 GLU H 5.000 . 5.000 2.655 2.457 3.007 . 0 0 "[ . 1 .]" 1 1191 1 141 ILE H 1 142 GLU H 3.500 . 3.500 2.587 2.447 2.694 . 0 0 "[ . 1 .]" 1 1192 1 141 ILE H 1 143 GLU H 5.000 . 5.000 3.950 3.686 4.727 . 0 0 "[ . 1 .]" 1 1193 1 141 ILE MD 1 141 ILE MG 3.500 . 4.500 2.099 1.798 2.359 0.002 11 0 "[ . 1 .]" 1 1194 1 141 ILE MD 1 159 LEU MD2 5.000 . 6.000 3.228 2.832 3.909 . 0 0 "[ . 1 .]" 1 1195 1 141 ILE MG 1 142 GLU H 5.000 . 5.500 3.952 3.728 4.184 . 0 0 "[ . 1 .]" 1 1196 1 141 ILE MG 1 152 LYS HA 5.000 . 5.500 2.202 1.836 2.659 . 0 0 "[ . 1 .]" 1 1197 1 141 ILE MG 1 156 LEU MD1 5.000 . 6.000 3.537 2.205 4.106 . 0 0 "[ . 1 .]" 1 1198 1 141 ILE MG 1 159 LEU MD2 6.000 . 7.000 4.824 4.117 4.893 . 0 0 "[ . 1 .]" 1 1199 1 142 GLU HA 1 143 GLU H 5.000 . 5.000 3.445 3.367 3.647 . 0 0 "[ . 1 .]" 1 1200 1 142 GLU HA 1 144 LEU H 5.000 . 5.000 4.127 3.957 4.569 . 0 0 "[ . 1 .]" 1 1201 1 142 GLU H 1 143 GLU H 5.000 . 5.000 2.680 2.471 3.148 . 0 0 "[ . 1 .]" 1 1202 1 142 GLU H 1 144 LEU H 6.000 . 6.000 4.104 3.917 4.367 . 0 0 "[ . 1 .]" 1 1203 1 142 GLU H 1 142 GLU QB 3.500 . 3.500 2.412 2.186 2.676 . 0 0 "[ . 1 .]" 1 1204 1 142 GLU QG 1 143 GLU HA 5.000 . 5.000 3.581 3.276 4.479 . 0 0 "[ . 1 .]" 1 1205 1 142 GLU QG 1 143 GLU H 5.000 . 5.000 2.511 1.873 2.869 . 0 0 "[ . 1 .]" 1 1206 1 143 GLU HA 1 145 GLU H 6.000 . 6.000 5.470 5.365 5.879 . 0 0 "[ . 1 .]" 1 1207 1 143 GLU H 1 144 LEU HA 5.000 . 5.000 4.887 4.399 5.110 0.110 5 0 "[ . 1 .]" 1 1208 1 143 GLU H 1 144 LEU H 3.500 . 3.500 2.310 2.136 2.605 . 0 0 "[ . 1 .]" 1 1209 1 143 GLU H 1 143 GLU QB 3.500 . 3.500 2.317 2.166 2.614 . 0 0 "[ . 1 .]" 1 1210 1 143 GLU QB 1 144 LEU HA 5.000 . 5.000 4.135 3.884 4.496 . 0 0 "[ . 1 .]" 1 1211 1 143 GLU QB 1 144 LEU H 5.000 . 5.000 3.100 2.728 3.812 . 0 0 "[ . 1 .]" 1 1212 1 143 GLU QG 1 144 LEU H 5.000 . 5.000 4.171 2.819 4.522 . 0 0 "[ . 1 .]" 1 1213 1 144 LEU HA 1 144 LEU MD2 3.300 . 3.800 2.122 1.861 3.313 . 0 0 "[ . 1 .]" 1 1214 1 144 LEU H 1 146 GLY QA 5.000 . 5.000 4.553 4.517 4.660 . 0 0 "[ . 1 .]" 1 1215 1 144 LEU H 1 144 LEU QB 3.500 . 3.500 2.206 2.039 2.611 . 0 0 "[ . 1 .]" 1 1216 1 144 LEU QB 1 145 GLU H 5.000 . 5.000 3.616 3.156 3.799 . 0 0 "[ . 1 .]" 1 1217 1 144 LEU QB 1 146 GLY H 5.000 . 5.000 4.141 3.853 4.490 . 0 0 "[ . 1 .]" 1 1218 1 144 LEU H 1 144 LEU MD2 3.500 . 4.000 3.336 3.098 3.439 . 0 0 "[ . 1 .]" 1 1219 1 144 LEU MD2 1 145 GLU H 3.500 . 4.000 3.314 2.983 3.377 . 0 0 "[ . 1 .]" 1 1220 1 145 GLU HA 1 146 GLY H 3.500 . 3.500 3.216 3.038 3.511 0.011 5 0 "[ . 1 .]" 1 1221 1 145 GLU HA 1 147 ILE H 5.000 . 5.000 4.244 4.150 4.520 . 0 0 "[ . 1 .]" 1 1222 1 145 GLU H 1 146 GLY H 6.000 . 6.000 2.803 2.535 3.282 . 0 0 "[ . 1 .]" 1 1223 1 145 GLU H 1 146 GLY QA 6.000 . 6.000 4.516 4.367 4.576 . 0 0 "[ . 1 .]" 1 1224 1 145 GLU QB 1 146 GLY H 5.000 . 5.000 3.404 2.646 3.658 . 0 0 "[ . 1 .]" 1 1225 1 145 GLU QB 1 148 SER H 6.000 . 6.000 5.309 5.133 5.479 . 0 0 "[ . 1 .]" 1 1226 1 145 GLU H 1 145 GLU QG 3.500 . 3.500 2.687 2.427 3.132 . 0 0 "[ . 1 .]" 1 1227 1 145 GLU QG 1 146 GLY H 5.000 . 5.000 4.292 3.953 4.468 . 0 0 "[ . 1 .]" 1 1228 1 146 GLY H 1 147 ILE HA 5.000 . 5.000 4.955 4.662 5.022 0.022 2 0 "[ . 1 .]" 1 1229 1 146 GLY H 1 147 ILE H 5.000 . 5.000 2.842 2.383 3.010 . 0 0 "[ . 1 .]" 1 1230 1 146 GLY H 1 147 ILE MD 5.000 . 5.500 4.154 3.844 4.615 . 0 0 "[ . 1 .]" 1 1231 1 146 GLY QA 1 147 ILE H 5.000 . 5.000 2.880 2.721 2.911 . 0 0 "[ . 1 .]" 1 1232 1 147 ILE HA 1 147 ILE MG 3.300 . 3.800 2.324 2.085 2.389 . 0 0 "[ . 1 .]" 1 1233 1 147 ILE HB 1 148 SER H 5.000 . 5.000 3.151 2.170 3.378 . 0 0 "[ . 1 .]" 1 1234 1 147 ILE H 1 148 SER HA 5.000 . 5.000 4.812 4.675 5.362 0.362 14 0 "[ . 1 .]" 1 1235 1 147 ILE H 1 148 SER H 5.000 . 5.000 4.099 3.999 4.501 . 0 0 "[ . 1 .]" 1 1236 1 147 ILE H 1 147 ILE MD 3.500 . 4.000 2.194 1.943 3.341 . 0 0 "[ . 1 .]" 1 1237 1 147 ILE MD 1 147 ILE MG 3.500 . 4.500 2.038 1.820 3.211 . 0 0 "[ . 1 .]" 1 1238 1 147 ILE MD 1 148 SER H 5.000 . 5.500 4.437 3.228 4.586 . 0 0 "[ . 1 .]" 1 1239 1 147 ILE H 1 147 ILE QG 3.500 . 4.000 3.064 1.683 3.396 0.117 14 0 "[ . 1 .]" 1 1240 1 147 ILE QG 1 148 SER H 5.000 . 5.500 4.110 3.532 4.789 . 0 0 "[ . 1 .]" 1 1241 1 147 ILE H 1 147 ILE MG 3.500 . 4.000 3.113 2.574 3.464 . 0 0 "[ . 1 .]" 1 1242 1 147 ILE MG 1 148 SER H 5.000 . 5.500 3.911 3.333 4.081 . 0 0 "[ . 1 .]" 1 1243 1 148 SER HA 1 149 GLU H 3.500 . 3.500 2.311 2.225 2.696 . 0 0 "[ . 1 .]" 1 1244 1 148 SER HA 1 150 ASP H 5.000 . 5.000 4.145 4.020 4.429 . 0 0 "[ . 1 .]" 1 1245 1 148 SER H 1 149 GLU HA 5.000 . 5.000 4.600 4.410 5.375 0.375 14 0 "[ . 1 .]" 1 1246 1 148 SER H 1 151 GLU QB 6.000 . 6.000 4.647 3.459 5.108 . 0 0 "[ . 1 .]" 1 1247 1 149 GLU H 1 150 ASP H 5.000 . 5.000 2.601 2.550 2.750 . 0 0 "[ . 1 .]" 1 1248 1 149 GLU H 1 151 GLU H 5.000 . 5.000 4.010 3.778 4.826 . 0 0 "[ . 1 .]" 1 1249 1 149 GLU H 1 152 LYS H 5.000 . 5.000 4.464 4.212 4.860 . 0 0 "[ . 1 .]" 1 1250 1 149 GLU H 1 149 GLU QB 3.500 . 3.500 2.521 2.228 2.903 . 0 0 "[ . 1 .]" 1 1251 1 149 GLU QB 1 150 ASP H 3.500 . 3.500 2.537 2.198 3.155 . 0 0 "[ . 1 .]" 1 1252 1 149 GLU H 1 149 GLU QG 3.500 . 3.500 2.298 1.816 3.015 . 0 0 "[ . 1 .]" 1 1253 1 149 GLU QG 1 150 ASP H 5.000 . 5.000 3.589 1.853 4.233 . 0 0 "[ . 1 .]" 1 1254 1 150 ASP HA 1 153 LYS H 5.000 . 5.000 3.869 3.747 3.957 . 0 0 "[ . 1 .]" 1 1255 1 150 ASP HA 1 153 LYS QB 5.000 . 5.000 3.150 2.699 4.347 . 0 0 "[ . 1 .]" 1 1256 1 150 ASP H 1 151 GLU HA 6.000 . 6.000 5.377 5.304 5.424 . 0 0 "[ . 1 .]" 1 1257 1 150 ASP H 1 151 GLU H 5.000 . 5.000 2.786 2.711 2.844 . 0 0 "[ . 1 .]" 1 1258 1 150 ASP H 1 151 GLU QB 5.000 . 5.000 4.501 4.453 4.540 . 0 0 "[ . 1 .]" 1 1259 1 150 ASP QB 1 151 GLU H 5.000 . 5.000 2.606 2.249 3.359 . 0 0 "[ . 1 .]" 1 1260 1 151 GLU H 1 152 LYS H 3.500 . 3.500 2.586 2.480 2.768 . 0 0 "[ . 1 .]" 1 1261 1 151 GLU H 1 153 LYS H 5.000 . 5.000 4.160 3.912 4.414 . 0 0 "[ . 1 .]" 1 1262 1 152 LYS HA 1 153 LYS H 5.000 . 5.000 3.520 3.461 3.571 . 0 0 "[ . 1 .]" 1 1263 1 152 LYS HA 1 155 ALA MB 5.000 . 5.500 2.507 2.109 2.942 . 0 0 "[ . 1 .]" 1 1264 1 152 LYS H 1 153 LYS H 3.500 . 3.500 2.665 2.450 2.786 . 0 0 "[ . 1 .]" 1 1265 1 152 LYS QB 1 153 LYS H 2.900 . 2.900 2.682 2.570 2.832 . 0 0 "[ . 1 .]" 1 1266 1 152 LYS QE 1 152 LYS QG 3.300 . 3.300 2.126 1.950 2.329 . 0 0 "[ . 1 .]" 1 1267 1 152 LYS H 1 152 LYS QG 3.500 . 3.500 2.864 2.249 3.315 . 0 0 "[ . 1 .]" 1 1268 1 153 LYS HA 1 156 LEU H 5.000 . 5.000 3.785 3.262 4.132 . 0 0 "[ . 1 .]" 1 1269 1 153 LYS HA 1 156 LEU MD1 5.000 . 5.500 4.367 3.981 4.585 . 0 0 "[ . 1 .]" 1 1270 1 153 LYS HA 1 156 LEU MD2 5.000 . 5.500 3.126 2.443 3.597 . 0 0 "[ . 1 .]" 1 1271 1 153 LYS HA 1 157 GLU H 5.000 . 5.000 4.267 3.864 4.540 . 0 0 "[ . 1 .]" 1 1272 1 153 LYS H 1 154 ARG H 3.500 . 3.500 2.755 2.642 2.841 . 0 0 "[ . 1 .]" 1 1273 1 153 LYS H 1 155 ALA H 5.000 . 5.000 4.010 3.762 4.365 . 0 0 "[ . 1 .]" 1 1274 1 153 LYS H 1 153 LYS QG 3.500 . 3.500 2.570 1.859 3.091 . 0 0 "[ . 1 .]" 1 1275 1 153 LYS QG 1 156 LEU MD2 6.000 . 6.500 4.234 3.486 4.834 . 0 0 "[ . 1 .]" 1 1276 1 154 ARG H 1 155 ALA H 3.500 . 3.500 2.601 2.474 2.757 . 0 0 "[ . 1 .]" 1 1277 1 154 ARG H 1 154 ARG QB 2.900 . 2.900 2.234 2.064 2.590 . 0 0 "[ . 1 .]" 1 1278 1 155 ALA H 1 156 LEU HA 6.000 . 6.000 5.270 5.150 5.470 . 0 0 "[ . 1 .]" 1 1279 1 155 ALA H 1 156 LEU H 5.000 . 5.000 2.684 2.534 2.929 . 0 0 "[ . 1 .]" 1 1280 1 155 ALA H 1 157 GLU H 5.000 . 5.000 4.463 4.238 4.681 . 0 0 "[ . 1 .]" 1 1281 1 155 ALA MB 1 156 LEU H 5.000 . 5.500 2.707 2.479 2.784 . 0 0 "[ . 1 .]" 1 1282 1 156 LEU HA 1 157 GLU H 5.000 . 5.000 3.540 3.494 3.572 . 0 0 "[ . 1 .]" 1 1283 1 156 LEU HA 1 159 LEU H 5.000 . 5.000 3.296 3.102 3.537 . 0 0 "[ . 1 .]" 1 1284 1 156 LEU HA 1 159 LEU QB 5.000 . 5.000 2.888 2.192 3.959 . 0 0 "[ . 1 .]" 1 1285 1 156 LEU HA 1 160 GLN QG 5.000 . 5.000 3.936 3.596 4.412 . 0 0 "[ . 1 .]" 1 1286 1 156 LEU H 1 156 LEU HG 5.000 . 5.000 4.294 4.179 4.444 . 0 0 "[ . 1 .]" 1 1287 1 156 LEU H 1 157 GLU H 3.500 . 3.500 2.670 2.586 2.720 . 0 0 "[ . 1 .]" 1 1288 1 156 LEU H 1 156 LEU QB 3.500 . 3.500 2.127 2.060 2.176 . 0 0 "[ . 1 .]" 1 1289 1 156 LEU QB 1 157 GLU H 5.000 . 5.000 2.484 2.389 2.607 . 0 0 "[ . 1 .]" 1 1290 1 156 LEU QB 1 158 ARG H 5.000 . 5.000 4.432 4.287 4.531 . 0 0 "[ . 1 .]" 1 1291 1 156 LEU H 1 156 LEU MD1 3.500 . 4.000 2.404 2.132 2.677 . 0 0 "[ . 1 .]" 1 1292 1 156 LEU MD2 1 157 GLU H 5.000 . 5.500 4.409 4.287 4.570 . 0 0 "[ . 1 .]" 1 1293 1 157 GLU HA 1 160 GLN QB 5.000 . 5.000 2.321 1.941 3.724 . 0 0 "[ . 1 .]" 1 1294 1 157 GLU HA 1 160 GLN QG 5.000 . 5.000 3.086 1.808 3.920 . 0 0 "[ . 1 .]" 1 1295 1 157 GLU H 1 158 ARG H 2.900 . 2.900 2.620 2.588 2.654 . 0 0 "[ . 1 .]" 1 1296 1 157 GLU H 1 157 GLU QB 3.500 . 3.500 2.397 2.157 2.649 . 0 0 "[ . 1 .]" 1 1297 1 157 GLU QB 1 159 LEU H 6.000 . 6.000 4.840 4.534 5.084 . 0 0 "[ . 1 .]" 1 1298 1 157 GLU H 1 157 GLU QG 3.500 . 3.500 2.423 1.962 3.042 . 0 0 "[ . 1 .]" 1 1299 1 158 ARG H 1 159 LEU H 3.500 . 3.500 2.691 2.562 2.853 . 0 0 "[ . 1 .]" 1 1300 1 158 ARG H 1 160 GLN H 5.000 . 5.000 3.880 3.792 4.060 . 0 0 "[ . 1 .]" 1 1301 1 158 ARG H 1 162 LEU H 6.000 . 6.000 5.968 5.806 6.056 0.056 11 0 "[ . 1 .]" 1 1302 1 158 ARG H 1 158 ARG QB 3.500 . 3.500 2.173 2.071 2.290 . 0 0 "[ . 1 .]" 1 1303 1 159 LEU HA 1 159 LEU MD2 3.300 . 3.800 2.708 2.235 3.211 . 0 0 "[ . 1 .]" 1 1304 1 159 LEU HA 1 162 LEU MD2 5.000 . 5.500 3.376 1.918 4.623 . 0 0 "[ . 1 .]" 1 1305 1 159 LEU H 1 160 GLN H 5.000 . 5.000 2.522 2.443 2.707 . 0 0 "[ . 1 .]" 1 1306 1 159 LEU H 1 162 LEU MD1 5.000 . 5.500 4.572 4.373 4.673 . 0 0 "[ . 1 .]" 1 1307 1 159 LEU H 1 163 THR H 6.000 . 6.000 5.917 5.773 6.034 0.034 8 0 "[ . 1 .]" 1 1308 1 159 LEU H 1 159 LEU QB 3.500 . 3.500 2.460 2.083 3.002 . 0 0 "[ . 1 .]" 1 1309 1 159 LEU QB 1 160 GLN H 5.000 . 5.000 2.893 2.709 3.277 . 0 0 "[ . 1 .]" 1 1310 1 160 GLN HA 1 161 LYS H 5.000 . 5.000 3.535 3.507 3.561 . 0 0 "[ . 1 .]" 1 1311 1 160 GLN HA 1 163 THR H 5.000 . 5.000 3.428 3.006 3.772 . 0 0 "[ . 1 .]" 1 1312 1 160 GLN HA 1 164 ASP H 5.000 . 5.000 3.880 3.396 4.338 . 0 0 "[ . 1 .]" 1 1313 1 160 GLN H 1 161 LYS H 3.500 . 3.500 2.576 2.405 2.665 . 0 0 "[ . 1 .]" 1 1314 1 160 GLN H 1 160 GLN QB 3.500 . 3.500 2.303 2.111 2.621 . 0 0 "[ . 1 .]" 1 1315 1 160 GLN QB 1 161 LYS H 5.000 . 5.000 2.485 2.209 3.237 . 0 0 "[ . 1 .]" 1 1316 1 161 LYS HA 1 162 LEU H 5.000 . 5.000 3.525 3.480 3.602 . 0 0 "[ . 1 .]" 1 1317 1 161 LYS HA 1 164 ASP QB 5.000 . 5.000 2.853 2.389 3.204 . 0 0 "[ . 1 .]" 1 1318 1 161 LYS HA 1 165 LYS H 5.000 . 5.000 4.253 3.736 4.738 . 0 0 "[ . 1 .]" 1 1319 1 161 LYS H 1 162 LEU H 3.500 . 3.500 2.700 2.530 2.807 . 0 0 "[ . 1 .]" 1 1320 1 162 LEU HA 1 162 LEU MD1 3.300 . 3.800 3.028 2.457 3.431 . 0 0 "[ . 1 .]" 1 1321 1 162 LEU HA 1 163 THR H 5.000 . 5.000 3.542 3.484 3.573 . 0 0 "[ . 1 .]" 1 1322 1 162 LEU H 1 163 THR H 3.500 . 3.500 2.613 2.544 2.715 . 0 0 "[ . 1 .]" 1 1323 1 162 LEU H 1 162 LEU QB 3.500 . 3.500 2.235 2.042 2.743 . 0 0 "[ . 1 .]" 1 1324 1 162 LEU H 1 162 LEU MD1 3.500 . 4.000 2.903 2.551 3.330 . 0 0 "[ . 1 .]" 1 1325 1 163 THR HA 1 164 ASP H 5.000 . 5.000 3.550 3.492 3.594 . 0 0 "[ . 1 .]" 1 1326 1 163 THR HA 1 165 LYS H 5.000 . 5.000 4.211 4.006 4.399 . 0 0 "[ . 1 .]" 1 1327 1 163 THR HA 1 166 TYR HA 6.000 . 6.000 5.275 4.763 5.733 . 0 0 "[ . 1 .]" 1 1328 1 163 THR H 1 163 THR HB 3.500 . 3.500 2.449 2.158 2.734 . 0 0 "[ . 1 .]" 1 1329 1 163 THR H 1 164 ASP H 3.500 . 3.500 2.704 2.468 2.862 . 0 0 "[ . 1 .]" 1 1330 1 163 THR H 1 163 THR MG 3.500 . 4.000 2.370 1.931 3.005 . 0 0 "[ . 1 .]" 1 1331 1 163 THR MG 1 164 ASP H 5.000 . 5.500 1.979 1.852 2.199 . 0 0 "[ . 1 .]" 1 1332 1 163 THR MG 1 165 LYS H 5.000 . 5.500 4.177 4.026 4.445 . 0 0 "[ . 1 .]" 1 1333 1 164 ASP HA 1 167 ILE HB 5.000 . 5.000 2.758 1.945 3.419 . 0 0 "[ . 1 .]" 1 1334 1 164 ASP HA 1 167 ILE MG 5.000 . 5.500 4.085 3.333 4.600 . 0 0 "[ . 1 .]" 1 1335 1 164 ASP HA 1 168 ASP H 5.000 . 5.000 3.963 3.230 4.674 . 0 0 "[ . 1 .]" 1 1336 1 164 ASP H 1 165 LYS H 3.500 . 3.500 2.651 2.512 2.750 . 0 0 "[ . 1 .]" 1 1337 1 164 ASP H 1 165 LYS QB 5.000 . 5.000 4.407 4.275 4.483 . 0 0 "[ . 1 .]" 1 1338 1 164 ASP H 1 166 TYR H 5.000 . 5.000 4.126 3.819 4.460 . 0 0 "[ . 1 .]" 1 1339 1 164 ASP H 1 164 ASP QB 3.500 . 3.500 2.190 2.070 2.531 . 0 0 "[ . 1 .]" 1 1340 1 165 LYS HA 1 168 ASP QB 5.000 . 5.000 3.034 2.670 3.504 . 0 0 "[ . 1 .]" 1 1341 1 165 LYS HA 1 169 GLU QG 5.000 . 5.000 3.824 3.273 4.471 . 0 0 "[ . 1 .]" 1 1342 1 165 LYS H 1 166 TYR H 5.000 . 5.000 2.623 2.387 2.836 . 0 0 "[ . 1 .]" 1 1343 1 165 LYS QG 1 169 GLU H 5.000 . 5.000 4.410 4.129 4.477 . 0 0 "[ . 1 .]" 1 1344 1 166 TYR HA 1 167 ILE H 5.000 . 5.000 3.529 3.483 3.566 . 0 0 "[ . 1 .]" 1 1345 1 166 TYR HA 1 169 GLU QB 5.000 . 5.000 2.764 2.024 3.620 . 0 0 "[ . 1 .]" 1 1346 1 166 TYR H 1 167 ILE H 3.500 . 3.500 2.610 2.485 2.891 . 0 0 "[ . 1 .]" 1 1347 1 166 TYR H 1 167 ILE QG 5.000 . 5.500 4.043 3.759 4.353 . 0 0 "[ . 1 .]" 1 1348 1 167 ILE HA 1 167 ILE MD 3.300 . 3.800 2.095 1.943 2.207 . 0 0 "[ . 1 .]" 1 1349 1 167 ILE HA 1 167 ILE MG 3.300 . 3.800 2.360 2.217 2.519 . 0 0 "[ . 1 .]" 1 1350 1 167 ILE HA 1 170 ILE MD 5.000 . 5.500 4.296 4.010 4.584 . 0 0 "[ . 1 .]" 1 1351 1 167 ILE H 1 167 ILE HB 3.500 . 3.500 2.542 2.404 2.630 . 0 0 "[ . 1 .]" 1 1352 1 167 ILE HB 1 168 ASP H 3.500 . 3.500 2.516 2.340 2.729 . 0 0 "[ . 1 .]" 1 1353 1 167 ILE H 1 168 ASP H 5.000 . 5.000 2.672 2.514 2.825 . 0 0 "[ . 1 .]" 1 1354 1 167 ILE MD 1 167 ILE MG 3.500 . 4.500 1.950 1.767 2.132 0.033 2 0 "[ . 1 .]" 1 1355 1 167 ILE H 1 167 ILE QG 3.500 . 4.000 2.097 1.982 2.380 . 0 0 "[ . 1 .]" 1 1356 1 167 ILE MG 1 171 ASN QD 5.000 . 5.500 2.595 1.763 3.864 0.037 3 0 "[ . 1 .]" 1 1357 1 168 ASP HA 1 171 ASN QB 5.000 . 5.000 3.186 2.461 4.166 . 0 0 "[ . 1 .]" 1 1358 1 168 ASP H 1 169 GLU H 3.500 . 3.500 2.634 2.490 2.894 . 0 0 "[ . 1 .]" 1 1359 1 168 ASP H 1 168 ASP QB 3.500 . 3.500 2.260 2.099 2.557 . 0 0 "[ . 1 .]" 1 1360 1 168 ASP QB 1 169 GLU H 5.000 . 5.000 2.679 2.383 2.857 . 0 0 "[ . 1 .]" 1 1361 1 168 ASP QB 1 171 ASN H 6.000 . 6.000 5.332 4.946 5.423 . 0 0 "[ . 1 .]" 1 1362 1 169 GLU HA 1 171 ASN H 5.000 . 5.000 4.968 4.638 5.050 0.050 10 0 "[ . 1 .]" 1 1363 1 169 GLU H 1 171 ASN H 5.000 . 5.000 4.396 4.126 4.625 . 0 0 "[ . 1 .]" 1 1364 1 169 GLU H 1 169 GLU QB 2.900 . 2.900 2.328 2.167 2.584 . 0 0 "[ . 1 .]" 1 1365 1 170 ILE HA 1 173 LEU MD1 5.000 . 5.500 3.987 3.409 4.424 . 0 0 "[ . 1 .]" 1 1366 1 170 ILE HB 1 170 ILE MD 3.300 . 3.800 2.341 2.191 2.433 . 0 0 "[ . 1 .]" 1 1367 1 170 ILE HB 1 171 ASN H 5.000 . 5.000 3.818 3.756 3.955 . 0 0 "[ . 1 .]" 1 1368 1 170 ILE HB 1 173 LEU MD2 5.000 . 5.500 3.929 3.292 4.587 . 0 0 "[ . 1 .]" 1 1369 1 170 ILE H 1 171 ASN H 3.500 . 3.500 2.773 2.638 2.868 . 0 0 "[ . 1 .]" 1 1370 1 170 ILE H 1 170 ILE MD 5.000 . 5.500 4.385 4.347 4.471 . 0 0 "[ . 1 .]" 1 1371 1 170 ILE MD 1 170 ILE MG 3.500 . 4.500 2.086 1.848 2.363 . 0 0 "[ . 1 .]" 1 1372 1 170 ILE MD 1 171 ASN H 5.000 . 5.500 4.294 4.037 4.570 . 0 0 "[ . 1 .]" 1 1373 1 170 ILE H 1 170 ILE MG 3.500 . 4.000 1.950 1.803 2.177 . 0 0 "[ . 1 .]" 1 1374 1 170 ILE MG 1 171 ASN H 5.000 . 5.500 1.803 1.736 1.938 0.064 15 0 "[ . 1 .]" 1 1375 1 171 ASN HA 1 172 LYS H 5.000 . 5.000 3.526 3.503 3.557 . 0 0 "[ . 1 .]" 1 1376 1 171 ASN HA 1 174 MET QB 5.000 . 5.000 2.984 2.585 4.041 . 0 0 "[ . 1 .]" 1 1377 1 171 ASN H 1 172 LYS H 3.500 . 3.500 2.809 2.689 2.906 . 0 0 "[ . 1 .]" 1 1378 1 171 ASN H 1 175 GLU H 6.000 . 6.000 5.813 5.497 6.018 0.018 12 0 "[ . 1 .]" 1 1379 1 171 ASN H 1 171 ASN QB 3.500 . 3.500 2.373 2.130 2.568 . 0 0 "[ . 1 .]" 1 1380 1 171 ASN QB 1 172 LYS H 5.000 . 5.000 2.884 2.515 3.569 . 0 0 "[ . 1 .]" 1 1381 1 171 ASN QB 1 175 GLU H 5.000 . 5.000 4.463 4.384 4.511 . 0 0 "[ . 1 .]" 1 1382 1 172 LYS HA 1 173 LEU H 5.000 . 5.000 3.520 3.445 3.560 . 0 0 "[ . 1 .]" 1 1383 1 172 LYS H 1 173 LEU H 5.000 . 5.000 2.590 2.511 2.654 . 0 0 "[ . 1 .]" 1 1384 1 172 LYS H 1 174 MET H 5.000 . 5.000 4.201 4.005 4.424 . 0 0 "[ . 1 .]" 1 1385 1 172 LYS QB 1 173 LEU HA 5.000 . 5.000 3.942 3.769 4.153 . 0 0 "[ . 1 .]" 1 1386 1 172 LYS QB 1 173 LEU H 3.500 . 3.500 2.621 2.394 2.836 . 0 0 "[ . 1 .]" 1 1387 1 172 LYS QG 1 173 LEU H 5.000 . 5.000 4.121 3.598 4.463 . 0 0 "[ . 1 .]" 1 1388 1 173 LEU HA 1 175 GLU H 5.000 . 5.000 4.720 4.513 4.859 . 0 0 "[ . 1 .]" 1 1389 1 173 LEU HA 1 176 ALA H 5.000 . 5.000 3.858 3.665 4.098 . 0 0 "[ . 1 .]" 1 1390 1 173 LEU HA 1 177 LYS H 5.000 . 5.000 4.201 3.635 4.648 . 0 0 "[ . 1 .]" 1 1391 1 173 LEU H 1 174 MET H 5.000 . 5.000 2.681 2.586 2.837 . 0 0 "[ . 1 .]" 1 1392 1 173 LEU H 1 175 GLU QB 6.000 . 6.000 4.836 4.388 5.058 . 0 0 "[ . 1 .]" 1 1393 1 173 LEU H 1 176 ALA H 5.000 . 5.000 4.880 4.620 5.000 . 0 0 "[ . 1 .]" 1 1394 1 173 LEU H 1 173 LEU MD2 3.500 . 4.000 3.350 3.310 3.386 . 0 0 "[ . 1 .]" 1 1395 1 174 MET HA 1 178 GLU H 5.000 . 5.000 3.768 3.316 4.154 . 0 0 "[ . 1 .]" 1 1396 1 174 MET H 1 175 GLU H 3.500 . 3.500 2.654 2.469 2.825 . 0 0 "[ . 1 .]" 1 1397 1 174 MET H 1 176 ALA H 5.000 . 5.000 4.207 3.893 4.438 . 0 0 "[ . 1 .]" 1 1398 1 174 MET H 1 177 LYS H 5.000 . 5.000 4.858 4.658 5.003 0.003 4 0 "[ . 1 .]" 1 1399 1 174 MET H 1 178 GLU H 6.000 . 6.000 5.899 5.588 6.104 0.104 15 0 "[ . 1 .]" 1 1400 1 174 MET QB 1 178 GLU H 6.000 . 6.000 4.861 4.289 5.238 . 0 0 "[ . 1 .]" 1 1401 1 175 GLU H 1 176 ALA H 3.500 . 3.500 2.822 2.680 2.929 . 0 0 "[ . 1 .]" 1 1402 1 175 GLU QB 1 176 ALA H 3.500 . 3.500 2.586 2.381 2.806 . 0 0 "[ . 1 .]" 1 1403 1 175 GLU QB 1 176 ALA MB 5.000 . 5.500 3.767 3.597 3.952 . 0 0 "[ . 1 .]" 1 1404 1 175 GLU QB 1 177 LYS H 6.000 . 6.000 4.879 4.414 5.093 . 0 0 "[ . 1 .]" 1 1405 1 175 GLU QB 1 178 GLU H 6.000 . 6.000 5.158 4.894 5.351 . 0 0 "[ . 1 .]" 1 1406 1 176 ALA HA 1 177 LYS H 5.000 . 5.000 3.565 3.510 3.583 . 0 0 "[ . 1 .]" 1 1407 1 176 ALA HA 1 178 GLU H 5.000 . 5.000 4.597 4.254 4.758 . 0 0 "[ . 1 .]" 1 1408 1 176 ALA HA 1 179 LYS QB 5.000 . 5.000 3.203 2.737 4.235 . 0 0 "[ . 1 .]" 1 1409 1 176 ALA H 1 177 LYS H 3.500 . 3.500 2.749 2.547 2.949 . 0 0 "[ . 1 .]" 1 1410 1 176 ALA H 1 178 GLU H 5.000 . 5.000 4.198 4.011 4.410 . 0 0 "[ . 1 .]" 1 1411 1 176 ALA H 1 176 ALA MB 2.900 . 3.400 2.167 2.088 2.237 . 0 0 "[ . 1 .]" 1 1412 1 176 ALA MB 1 177 LYS H 3.500 . 4.000 2.307 2.123 2.628 . 0 0 "[ . 1 .]" 1 1413 1 177 LYS H 1 178 GLU H 3.500 . 3.500 2.897 2.707 3.061 . 0 0 "[ . 1 .]" 1 1414 1 177 LYS QB 1 178 GLU H 5.000 . 5.000 2.597 2.370 3.210 . 0 0 "[ . 1 .]" 1 1415 1 178 GLU H 1 179 LYS H 3.500 . 3.500 2.887 2.791 3.049 . 0 0 "[ . 1 .]" 1 1416 1 178 GLU H 1 179 LYS QB 6.000 . 6.000 4.657 4.467 5.352 . 0 0 "[ . 1 .]" 1 1417 1 179 LYS HA 1 180 GLU H 5.000 . 5.000 3.459 3.403 3.506 . 0 0 "[ . 1 .]" 1 1418 1 179 LYS HA 1 182 MET QG 5.000 . 5.000 3.892 2.144 4.475 . 0 0 "[ . 1 .]" 1 1419 1 179 LYS H 1 180 GLU H 5.000 . 5.000 2.564 2.477 2.652 . 0 0 "[ . 1 .]" 1 1420 1 179 LYS QB 1 179 LYS QE 3.300 . 3.300 2.488 2.239 2.628 . 0 0 "[ . 1 .]" 1 1421 1 179 LYS QB 1 180 GLU H 5.000 . 5.000 2.776 2.473 3.343 . 0 0 "[ . 1 .]" 1 1422 1 179 LYS QB 1 183 SER H 6.000 . 6.000 5.039 4.497 5.350 . 0 0 "[ . 1 .]" 1 1423 1 180 GLU HA 1 181 ILE H 5.000 . 5.000 3.547 3.469 3.612 . 0 0 "[ . 1 .]" 1 1424 1 180 GLU H 1 181 ILE H 3.500 . 3.500 2.722 2.365 3.228 . 0 0 "[ . 1 .]" 1 1425 1 180 GLU H 1 182 MET H 5.000 . 5.000 4.076 3.918 4.500 . 0 0 "[ . 1 .]" 1 1426 1 180 GLU H 1 180 GLU QB 3.500 . 3.500 2.292 2.134 3.025 . 0 0 "[ . 1 .]" 1 1427 1 181 ILE HA 1 181 ILE MG 3.300 . 3.800 2.331 2.097 2.422 . 0 0 "[ . 1 .]" 1 1428 1 181 ILE H 1 181 ILE HB 3.500 . 3.500 2.634 2.400 2.785 . 0 0 "[ . 1 .]" 1 1429 1 181 ILE HB 1 182 MET H 5.000 . 5.000 2.509 2.286 2.965 . 0 0 "[ . 1 .]" 1 1430 1 181 ILE H 1 182 MET H 3.500 . 3.500 2.728 2.408 2.959 . 0 0 "[ . 1 .]" 1 1431 1 181 ILE H 1 183 SER H 5.000 . 5.000 3.933 3.614 4.342 . 0 0 "[ . 1 .]" 1 1432 1 181 ILE H 1 181 ILE MD 3.500 . 4.000 3.013 1.960 3.374 . 0 0 "[ . 1 .]" 1 1433 1 181 ILE MD 1 181 ILE MG 3.500 . 4.500 2.386 1.894 3.046 . 0 0 "[ . 1 .]" 1 1434 1 181 ILE MG 1 182 MET H 5.000 . 5.500 3.463 3.164 3.999 . 0 0 "[ . 1 .]" 1 1435 1 181 ILE MG 1 184 VAL MG1 5.000 . 6.000 3.829 2.569 4.178 . 0 0 "[ . 1 .]" 1 1436 1 182 MET HA 1 182 MET QG 3.300 . 3.300 2.678 2.406 2.903 . 0 0 "[ . 1 .]" 1 1437 1 182 MET HA 1 183 SER H 3.500 . 3.500 3.349 2.980 3.520 0.020 8 0 "[ . 1 .]" 1 1438 1 182 MET H 1 183 SER H 5.000 . 5.000 2.636 2.417 2.878 . 0 0 "[ . 1 .]" 1 1439 1 182 MET H 1 183 SER QB 5.000 . 5.000 4.320 4.052 4.471 . 0 0 "[ . 1 .]" 1 1440 1 182 MET H 1 182 MET QB 3.500 . 3.500 2.461 2.260 2.617 . 0 0 "[ . 1 .]" 1 1441 1 182 MET QB 1 183 SER H 5.000 . 5.000 3.169 2.618 3.771 . 0 0 "[ . 1 .]" 1 1442 1 182 MET ME 1 182 MET QG 3.300 . 3.800 2.153 2.013 2.489 . 0 0 "[ . 1 .]" 1 1443 1 182 MET H 1 182 MET QG 3.500 . 3.500 2.277 1.955 2.695 . 0 0 "[ . 1 .]" 1 1444 1 183 SER HA 1 184 VAL H 5.000 . 5.000 3.556 3.535 3.572 . 0 0 "[ . 1 .]" 1 1445 1 183 SER H 1 184 VAL H 5.000 . 5.000 2.798 2.313 3.150 . 0 0 "[ . 1 .]" 1 1446 1 183 SER H 1 183 SER QB 2.900 . 2.900 2.233 2.088 2.498 . 0 0 "[ . 1 .]" 1 1447 1 183 SER QB 1 184 VAL H 2.900 . 2.900 2.277 1.966 2.586 . 0 0 "[ . 1 .]" 1 1448 1 184 VAL HA 1 184 VAL MG2 3.300 . 3.800 2.716 2.220 3.197 . 0 0 "[ . 1 .]" 1 1449 1 184 VAL H 1 184 VAL MG1 2.900 . 3.400 2.302 2.111 2.561 . 0 0 "[ . 1 .]" 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 196 _Distance_constraint_stats_list.Viol_count 232 _Distance_constraint_stats_list.Viol_total 82.762 _Distance_constraint_stats_list.Viol_max 0.108 _Distance_constraint_stats_list.Viol_rms 0.0086 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0019 _Distance_constraint_stats_list.Viol_average_violations_only 0.0238 _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 4 GLU 0.092 0.031 3 0 "[ . 1 .]" 1 5 LEU 0.000 0.000 . 0 "[ . 1 .]" 1 6 GLU 0.037 0.026 13 0 "[ . 1 .]" 1 7 ASP 0.013 0.013 12 0 "[ . 1 .]" 1 8 ILE 0.092 0.031 3 0 "[ . 1 .]" 1 9 PHE 0.000 0.000 . 0 "[ . 1 .]" 1 10 LYS 0.037 0.026 13 0 "[ . 1 .]" 1 11 GLU 0.013 0.013 12 0 "[ . 1 .]" 1 12 ALA 0.000 0.000 . 0 "[ . 1 .]" 1 13 GLU 0.000 0.000 . 0 "[ . 1 .]" 1 14 LYS 0.060 0.032 5 0 "[ . 1 .]" 1 15 ASP 0.067 0.032 6 0 "[ . 1 .]" 1 16 MET 0.000 0.000 . 0 "[ . 1 .]" 1 17 LYS 0.000 0.000 . 0 "[ . 1 .]" 1 18 LYS 0.075 0.032 5 0 "[ . 1 .]" 1 19 ALA 0.067 0.032 6 0 "[ . 1 .]" 1 20 VAL 0.000 0.000 . 0 "[ . 1 .]" 1 21 GLU 0.000 0.000 . 0 "[ . 1 .]" 1 22 TYR 0.136 0.058 14 0 "[ . 1 .]" 1 23 TYR 0.102 0.040 6 0 "[ . 1 .]" 1 24 LYS 0.000 0.000 . 0 "[ . 1 .]" 1 25 ASN 0.000 0.000 . 0 "[ . 1 .]" 1 26 GLU 0.122 0.058 14 0 "[ . 1 .]" 1 27 ILE 0.102 0.040 6 0 "[ . 1 .]" 1 28 ALA 0.000 0.000 . 0 "[ . 1 .]" 1 45 VAL 0.000 0.000 . 0 "[ . 1 .]" 1 52 VAL 0.000 0.000 . 0 "[ . 1 .]" 1 59 THR 0.050 0.013 3 0 "[ . 1 .]" 1 61 SER 0.000 0.000 . 0 "[ . 1 .]" 1 68 ILE 0.000 0.000 . 0 "[ . 1 .]" 1 69 VAL 0.000 0.000 . 0 "[ . 1 .]" 1 70 ILE 0.000 0.000 . 0 "[ . 1 .]" 1 71 GLN 0.050 0.013 3 0 "[ . 1 .]" 1 77 ALA 0.000 0.000 . 0 "[ . 1 .]" 1 78 VAL 0.031 0.021 15 0 "[ . 1 .]" 1 79 PRO 0.390 0.057 6 0 "[ . 1 .]" 1 80 ALA 0.009 0.009 10 0 "[ . 1 .]" 1 81 ILE 0.000 0.000 . 0 "[ . 1 .]" 1 82 GLU 0.031 0.021 15 0 "[ . 1 .]" 1 83 LYS 0.523 0.057 6 0 "[ . 1 .]" 1 84 ALA 0.036 0.027 15 0 "[ . 1 .]" 1 85 ILE 0.000 0.000 . 0 "[ . 1 .]" 1 86 ARG 0.000 0.000 . 0 "[ . 1 .]" 1 87 GLU 0.133 0.031 9 0 "[ . 1 .]" 1 88 GLU 0.027 0.027 15 0 "[ . 1 .]" 1 89 LEU 0.000 0.000 . 0 "[ . 1 .]" 1 94 THR 0.000 0.000 . 0 "[ . 1 .]" 1 96 GLN 0.000 0.000 . 0 "[ . 1 .]" 1 99 VAL 0.000 0.000 . 0 "[ . 1 .]" 1 100 ILE 0.000 0.000 . 0 "[ . 1 .]" 1 101 ARG 0.000 0.000 . 0 "[ . 1 .]" 1 102 VAL 0.000 0.000 . 0 "[ . 1 .]" 1 111 ARG 0.286 0.052 1 0 "[ . 1 .]" 1 112 ARG 0.017 0.017 8 0 "[ . 1 .]" 1 113 ARG 0.017 0.017 13 0 "[ . 1 .]" 1 114 GLU 0.000 0.000 . 0 "[ . 1 .]" 1 115 LEU 0.286 0.052 1 0 "[ . 1 .]" 1 116 VAL 0.017 0.017 8 0 "[ . 1 .]" 1 117 ARG 0.017 0.017 13 0 "[ . 1 .]" 1 118 LEU 0.595 0.097 4 0 "[ . 1 .]" 1 119 LEU 0.000 0.000 . 0 "[ . 1 .]" 1 120 HIS 0.207 0.053 6 0 "[ . 1 .]" 1 121 LYS 0.043 0.031 11 0 "[ . 1 .]" 1 122 ILE 0.603 0.097 4 0 "[ . 1 .]" 1 123 THR 0.092 0.024 6 0 "[ . 1 .]" 1 124 GLU 0.309 0.069 13 0 "[ . 1 .]" 1 125 GLU 0.132 0.031 11 0 "[ . 1 .]" 1 126 ALA 0.008 0.008 10 0 "[ . 1 .]" 1 127 ARG 0.092 0.024 6 0 "[ . 1 .]" 1 128 VAL 0.196 0.069 13 0 "[ . 1 .]" 1 129 ARG 0.156 0.030 4 0 "[ . 1 .]" 1 130 VAL 0.070 0.041 13 0 "[ . 1 .]" 1 131 ARG 0.079 0.023 4 0 "[ . 1 .]" 1 132 ASN 0.487 0.078 2 0 "[ . 1 .]" 1 133 VAL 0.067 0.017 8 0 "[ . 1 .]" 1 134 ARG 0.070 0.041 13 0 "[ . 1 .]" 1 135 ARG 0.372 0.041 13 0 "[ . 1 .]" 1 136 GLU 0.393 0.078 2 0 "[ . 1 .]" 1 137 ALA 0.026 0.012 9 0 "[ . 1 .]" 1 138 LYS 0.000 0.000 . 0 "[ . 1 .]" 1 139 GLU 0.599 0.108 14 0 "[ . 1 .]" 1 140 MET 0.371 0.104 13 0 "[ . 1 .]" 1 141 ILE 0.026 0.012 9 0 "[ . 1 .]" 1 142 GLU 0.000 0.000 . 0 "[ . 1 .]" 1 143 GLU 0.307 0.108 14 0 "[ . 1 .]" 1 144 LEU 0.371 0.104 13 0 "[ . 1 .]" 1 149 GLU 0.000 0.000 . 0 "[ . 1 .]" 1 150 ASP 0.039 0.019 13 0 "[ . 1 .]" 1 151 GLU 0.000 0.000 . 0 "[ . 1 .]" 1 152 LYS 0.000 0.000 . 0 "[ . 1 .]" 1 153 LYS 0.072 0.027 5 0 "[ . 1 .]" 1 154 ARG 0.039 0.019 13 0 "[ . 1 .]" 1 155 ALA 0.000 0.000 . 0 "[ . 1 .]" 1 156 LEU 0.000 0.000 . 0 "[ . 1 .]" 1 157 GLU 0.072 0.027 5 0 "[ . 1 .]" 1 158 ARG 0.026 0.026 15 0 "[ . 1 .]" 1 159 LEU 0.000 0.000 . 0 "[ . 1 .]" 1 160 GLN 0.000 0.000 . 0 "[ . 1 .]" 1 161 LYS 0.247 0.075 11 0 "[ . 1 .]" 1 162 LEU 0.147 0.061 5 0 "[ . 1 .]" 1 163 THR 0.011 0.010 6 0 "[ . 1 .]" 1 164 ASP 0.037 0.022 4 0 "[ . 1 .]" 1 165 LYS 0.290 0.075 11 0 "[ . 1 .]" 1 166 TYR 0.121 0.061 5 0 "[ . 1 .]" 1 167 ILE 0.018 0.010 6 0 "[ . 1 .]" 1 168 ASP 0.037 0.022 4 0 "[ . 1 .]" 1 169 GLU 0.060 0.023 4 0 "[ . 1 .]" 1 170 ILE 0.000 0.000 . 0 "[ . 1 .]" 1 171 ASN 0.006 0.006 14 0 "[ . 1 .]" 1 172 LYS 0.003 0.002 9 0 "[ . 1 .]" 1 173 LEU 0.018 0.016 2 0 "[ . 1 .]" 1 174 MET 0.000 0.000 . 0 "[ . 1 .]" 1 175 GLU 0.219 0.037 12 0 "[ . 1 .]" 1 176 ALA 0.144 0.062 8 0 "[ . 1 .]" 1 177 LYS 0.090 0.027 2 0 "[ . 1 .]" 1 178 GLU 0.140 0.041 2 0 "[ . 1 .]" 1 179 LYS 0.219 0.037 12 0 "[ . 1 .]" 1 180 GLU 0.141 0.062 8 0 "[ . 1 .]" 1 181 ILE 0.090 0.027 2 0 "[ . 1 .]" 1 182 MET 0.140 0.041 2 0 "[ . 1 .]" 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 4 GLU O 1 8 ILE N 3.000 2.300 3.500 3.311 3.066 3.412 . 0 0 "[ . 1 .]" 2 2 1 4 GLU O 1 8 ILE H 2.000 . 2.500 2.445 2.214 2.531 0.031 3 0 "[ . 1 .]" 2 3 1 5 LEU O 1 9 PHE N 3.000 2.300 3.500 2.943 2.570 3.179 . 0 0 "[ . 1 .]" 2 4 1 5 LEU O 1 9 PHE H 2.000 . 2.500 1.981 1.607 2.221 . 0 0 "[ . 1 .]" 2 5 1 6 GLU O 1 10 LYS N 3.000 2.300 3.500 3.048 2.636 3.463 . 0 0 "[ . 1 .]" 2 6 1 6 GLU O 1 10 LYS H 2.000 . 2.500 2.113 1.679 2.526 0.026 13 0 "[ . 1 .]" 2 7 1 7 ASP O 1 11 GLU N 3.000 2.300 3.500 3.050 2.780 3.449 . 0 0 "[ . 1 .]" 2 8 1 7 ASP O 1 11 GLU H 2.000 . 2.500 2.161 1.835 2.513 0.013 12 0 "[ . 1 .]" 2 9 1 8 ILE O 1 12 ALA N 3.000 2.300 3.500 2.896 2.683 3.134 . 0 0 "[ . 1 .]" 2 10 1 8 ILE O 1 12 ALA H 2.000 . 2.500 2.005 1.788 2.308 . 0 0 "[ . 1 .]" 2 11 1 9 PHE O 1 13 GLU N 3.000 2.300 3.500 2.791 2.539 3.292 . 0 0 "[ . 1 .]" 2 12 1 9 PHE O 1 13 GLU H 2.000 . 2.500 1.857 1.638 2.317 . 0 0 "[ . 1 .]" 2 13 1 10 LYS O 1 14 LYS N 3.000 2.300 3.500 3.017 2.673 3.302 . 0 0 "[ . 1 .]" 2 14 1 10 LYS O 1 14 LYS H 2.000 . 2.500 2.105 1.788 2.342 . 0 0 "[ . 1 .]" 2 15 1 11 GLU O 1 15 ASP N 3.000 2.300 3.500 2.987 2.808 3.231 . 0 0 "[ . 1 .]" 2 16 1 11 GLU O 1 15 ASP H 2.000 . 2.500 2.114 1.831 2.356 . 0 0 "[ . 1 .]" 2 17 1 12 ALA O 1 16 MET N 3.000 2.300 3.500 2.889 2.665 3.050 . 0 0 "[ . 1 .]" 2 18 1 12 ALA O 1 16 MET H 2.000 . 2.500 1.966 1.705 2.241 . 0 0 "[ . 1 .]" 2 19 1 13 GLU O 1 17 LYS N 3.000 2.300 3.500 2.756 2.528 3.163 . 0 0 "[ . 1 .]" 2 20 1 13 GLU O 1 17 LYS H 2.000 . 2.500 1.837 1.557 2.348 . 0 0 "[ . 1 .]" 2 21 1 14 LYS O 1 18 LYS N 3.000 2.300 3.500 3.245 2.936 3.500 0.000 5 0 "[ . 1 .]" 2 22 1 14 LYS O 1 18 LYS H 2.000 . 2.500 2.359 2.034 2.532 0.032 5 0 "[ . 1 .]" 2 23 1 15 ASP O 1 19 ALA N 3.000 2.300 3.500 3.197 2.900 3.339 . 0 0 "[ . 1 .]" 2 24 1 15 ASP O 1 19 ALA H 2.000 . 2.500 2.339 1.926 2.532 0.032 6 0 "[ . 1 .]" 2 25 1 16 MET O 1 20 VAL N 3.000 2.300 3.500 3.060 2.593 3.328 . 0 0 "[ . 1 .]" 2 26 1 16 MET O 1 20 VAL H 2.000 . 2.500 2.112 1.619 2.377 . 0 0 "[ . 1 .]" 2 27 1 17 LYS O 1 21 GLU N 3.000 2.300 3.500 2.949 2.718 3.249 . 0 0 "[ . 1 .]" 2 28 1 17 LYS O 1 21 GLU H 2.000 . 2.500 2.050 1.801 2.348 . 0 0 "[ . 1 .]" 2 29 1 18 LYS O 1 22 TYR N 3.000 2.300 3.500 3.188 2.660 3.448 . 0 0 "[ . 1 .]" 2 30 1 18 LYS O 1 22 TYR H 2.000 . 2.500 2.236 1.687 2.515 0.015 14 0 "[ . 1 .]" 2 31 1 19 ALA O 1 23 TYR N 3.000 2.300 3.500 2.883 2.574 3.122 . 0 0 "[ . 1 .]" 2 32 1 19 ALA O 1 23 TYR H 2.000 . 2.500 2.040 1.662 2.356 . 0 0 "[ . 1 .]" 2 33 1 20 VAL O 1 24 LYS N 3.000 2.300 3.500 2.665 2.335 2.900 . 0 0 "[ . 1 .]" 2 34 1 20 VAL O 1 24 LYS H 2.000 . 2.500 1.723 1.366 1.974 . 0 0 "[ . 1 .]" 2 35 1 21 GLU O 1 25 ASN N 3.000 2.300 3.500 3.114 2.983 3.273 . 0 0 "[ . 1 .]" 2 36 1 21 GLU O 1 25 ASN H 2.000 . 2.500 2.286 2.143 2.431 . 0 0 "[ . 1 .]" 2 37 1 22 TYR O 1 26 GLU N 3.000 2.300 3.500 3.170 2.847 3.488 . 0 0 "[ . 1 .]" 2 38 1 22 TYR O 1 26 GLU H 2.000 . 2.500 2.340 1.976 2.558 0.058 14 0 "[ . 1 .]" 2 39 1 23 TYR O 1 27 ILE N 3.000 2.300 3.500 3.200 2.686 3.373 . 0 0 "[ . 1 .]" 2 40 1 23 TYR O 1 27 ILE H 2.000 . 2.500 2.307 1.722 2.540 0.040 6 0 "[ . 1 .]" 2 41 1 24 LYS O 1 28 ALA N 3.000 2.300 3.500 2.709 2.511 2.965 . 0 0 "[ . 1 .]" 2 42 1 24 LYS O 1 28 ALA H 2.000 . 2.500 1.829 1.682 1.986 . 0 0 "[ . 1 .]" 2 43 1 77 ALA O 1 81 ILE N 3.000 2.300 3.500 2.880 2.623 3.288 . 0 0 "[ . 1 .]" 2 44 1 77 ALA O 1 81 ILE H 2.000 . 2.500 1.944 1.668 2.358 . 0 0 "[ . 1 .]" 2 45 1 78 VAL O 1 82 GLU N 3.000 2.300 3.500 3.240 2.904 3.460 . 0 0 "[ . 1 .]" 2 46 1 78 VAL O 1 82 GLU H 2.000 . 2.500 2.296 1.928 2.521 0.021 15 0 "[ . 1 .]" 2 47 1 79 PRO O 1 83 LYS N 3.000 2.300 3.500 3.446 3.206 3.503 0.003 8 0 "[ . 1 .]" 2 48 1 79 PRO O 1 83 LYS H 2.000 . 2.500 2.502 2.258 2.557 0.057 6 0 "[ . 1 .]" 2 49 1 80 ALA O 1 84 ALA N 3.000 2.300 3.500 2.907 2.574 3.290 . 0 0 "[ . 1 .]" 2 50 1 80 ALA O 1 84 ALA H 2.000 . 2.500 2.061 1.647 2.509 0.009 10 0 "[ . 1 .]" 2 51 1 81 ILE O 1 85 ILE N 3.000 2.300 3.500 2.596 2.523 2.889 . 0 0 "[ . 1 .]" 2 52 1 81 ILE O 1 85 ILE H 2.000 . 2.500 1.627 1.547 1.924 . 0 0 "[ . 1 .]" 2 53 1 82 GLU O 1 86 ARG N 3.000 2.300 3.500 3.105 2.882 3.283 . 0 0 "[ . 1 .]" 2 54 1 82 GLU O 1 86 ARG H 2.000 . 2.500 2.162 1.937 2.344 . 0 0 "[ . 1 .]" 2 55 1 83 LYS O 1 87 GLU N 3.000 2.300 3.500 3.252 3.060 3.373 . 0 0 "[ . 1 .]" 2 56 1 83 LYS O 1 87 GLU H 2.000 . 2.500 2.463 2.193 2.531 0.031 9 0 "[ . 1 .]" 2 57 1 84 ALA O 1 88 GLU N 3.000 2.300 3.500 2.966 2.580 3.459 . 0 0 "[ . 1 .]" 2 58 1 84 ALA O 1 88 GLU H 2.000 . 2.500 2.072 1.701 2.527 0.027 15 0 "[ . 1 .]" 2 59 1 85 ILE O 1 89 LEU N 3.000 2.300 3.500 2.623 2.524 2.953 . 0 0 "[ . 1 .]" 2 60 1 85 ILE O 1 89 LEU H 2.000 . 2.500 1.675 1.575 1.992 . 0 0 "[ . 1 .]" 2 61 1 111 ARG O 1 115 LEU N 3.000 2.300 3.500 3.380 2.935 3.522 0.022 15 0 "[ . 1 .]" 2 62 1 111 ARG O 1 115 LEU H 2.000 . 2.500 2.439 1.962 2.552 0.052 1 0 "[ . 1 .]" 2 63 1 112 ARG O 1 116 VAL N 3.000 2.300 3.500 3.169 2.771 3.460 . 0 0 "[ . 1 .]" 2 64 1 112 ARG O 1 116 VAL H 2.000 . 2.500 2.233 1.894 2.517 0.017 8 0 "[ . 1 .]" 2 65 1 113 ARG O 1 117 ARG N 3.000 2.300 3.500 3.077 2.802 3.322 . 0 0 "[ . 1 .]" 2 66 1 113 ARG O 1 117 ARG H 2.000 . 2.500 2.169 1.856 2.517 0.017 13 0 "[ . 1 .]" 2 67 1 114 GLU O 1 118 LEU N 3.000 2.300 3.500 2.823 2.517 3.227 . 0 0 "[ . 1 .]" 2 68 1 114 GLU O 1 118 LEU H 2.000 . 2.500 2.016 1.589 2.481 . 0 0 "[ . 1 .]" 2 69 1 115 LEU O 1 119 LEU N 3.000 2.300 3.500 2.796 2.536 3.103 . 0 0 "[ . 1 .]" 2 70 1 115 LEU O 1 119 LEU H 2.000 . 2.500 1.933 1.701 2.286 . 0 0 "[ . 1 .]" 2 71 1 118 LEU O 1 122 ILE N 3.000 2.300 3.500 3.216 2.668 3.448 . 0 0 "[ . 1 .]" 2 72 1 118 LEU O 1 122 ILE H 2.000 . 2.500 2.346 1.689 2.597 0.097 4 0 "[ . 1 .]" 2 73 1 119 LEU O 1 123 THR N 3.000 2.300 3.500 2.783 2.511 3.030 . 0 0 "[ . 1 .]" 2 74 1 119 LEU O 1 123 THR H 2.000 . 2.500 1.861 1.595 2.123 . 0 0 "[ . 1 .]" 2 75 1 120 HIS O 1 124 GLU N 3.000 2.300 3.500 3.387 2.928 3.507 0.007 6 0 "[ . 1 .]" 2 76 1 120 HIS O 1 124 GLU H 2.000 . 2.500 2.454 2.009 2.553 0.053 6 0 "[ . 1 .]" 2 77 1 121 LYS O 1 125 GLU N 3.000 2.300 3.500 3.139 2.876 3.354 . 0 0 "[ . 1 .]" 2 78 1 121 LYS O 1 125 GLU H 2.000 . 2.500 2.289 2.008 2.531 0.031 11 0 "[ . 1 .]" 2 79 1 122 ILE O 1 126 ALA N 3.000 2.300 3.500 3.125 2.938 3.279 . 0 0 "[ . 1 .]" 2 80 1 122 ILE O 1 126 ALA H 2.000 . 2.500 2.261 1.992 2.508 0.008 10 0 "[ . 1 .]" 2 81 1 123 THR O 1 127 ARG N 3.000 2.300 3.500 3.378 3.150 3.487 . 0 0 "[ . 1 .]" 2 82 1 123 THR O 1 127 ARG H 2.000 . 2.500 2.431 2.217 2.524 0.024 6 0 "[ . 1 .]" 2 83 1 124 GLU O 1 128 VAL N 3.000 2.300 3.500 3.189 2.757 3.447 . 0 0 "[ . 1 .]" 2 84 1 124 GLU O 1 128 VAL H 2.000 . 2.500 2.278 1.795 2.569 0.069 13 0 "[ . 1 .]" 2 85 1 125 GLU O 1 129 ARG N 3.000 2.300 3.500 3.309 3.142 3.480 . 0 0 "[ . 1 .]" 2 86 1 125 GLU O 1 129 ARG H 2.000 . 2.500 2.456 2.328 2.530 0.030 4 0 "[ . 1 .]" 2 87 1 126 ALA O 1 130 VAL N 3.000 2.300 3.500 3.076 2.947 3.146 . 0 0 "[ . 1 .]" 2 88 1 126 ALA O 1 130 VAL H 2.000 . 2.500 2.118 1.994 2.186 . 0 0 "[ . 1 .]" 2 89 1 127 ARG O 1 131 ARG N 3.000 2.300 3.500 2.844 2.576 3.129 . 0 0 "[ . 1 .]" 2 90 1 127 ARG O 1 131 ARG H 2.000 . 2.500 1.895 1.607 2.197 . 0 0 "[ . 1 .]" 2 91 1 128 VAL O 1 132 ASN N 3.000 2.300 3.500 3.082 2.599 3.460 . 0 0 "[ . 1 .]" 2 92 1 128 VAL O 1 132 ASN H 2.000 . 2.500 2.279 1.952 2.544 0.044 11 0 "[ . 1 .]" 2 93 1 129 ARG O 1 133 VAL N 3.000 2.300 3.500 3.072 2.734 3.258 . 0 0 "[ . 1 .]" 2 94 1 129 ARG O 1 133 VAL H 2.000 . 2.500 2.301 1.897 2.517 0.017 8 0 "[ . 1 .]" 2 95 1 130 VAL O 1 134 ARG N 3.000 2.300 3.500 3.181 2.888 3.481 . 0 0 "[ . 1 .]" 2 96 1 130 VAL O 1 134 ARG H 2.000 . 2.500 2.233 1.914 2.541 0.041 13 0 "[ . 1 .]" 2 97 1 131 ARG O 1 135 ARG N 3.000 2.300 3.500 3.097 2.501 3.472 . 0 0 "[ . 1 .]" 2 98 1 131 ARG O 1 135 ARG H 2.000 . 2.500 2.201 1.602 2.523 0.023 4 0 "[ . 1 .]" 2 99 1 132 ASN O 1 136 GLU N 3.000 2.300 3.500 3.092 2.515 3.539 0.039 2 0 "[ . 1 .]" 2 100 1 132 ASN O 1 136 GLU H 2.000 . 2.500 2.189 1.639 2.578 0.078 2 0 "[ . 1 .]" 2 101 1 133 VAL O 1 137 ALA N 3.000 2.300 3.500 2.669 2.497 3.030 . 0 0 "[ . 1 .]" 2 102 1 133 VAL O 1 137 ALA H 2.000 . 2.500 1.763 1.571 2.223 . 0 0 "[ . 1 .]" 2 103 1 134 ARG O 1 138 LYS N 3.000 2.300 3.500 2.967 2.743 3.112 . 0 0 "[ . 1 .]" 2 104 1 134 ARG O 1 138 LYS H 2.000 . 2.500 2.054 1.875 2.211 . 0 0 "[ . 1 .]" 2 105 1 135 ARG O 1 139 GLU N 3.000 2.300 3.500 3.327 2.604 3.520 0.020 6 0 "[ . 1 .]" 2 106 1 135 ARG O 1 139 GLU H 2.000 . 2.500 2.436 1.687 2.541 0.041 13 0 "[ . 1 .]" 2 107 1 136 GLU O 1 140 MET N 3.000 2.300 3.500 2.957 2.525 3.280 . 0 0 "[ . 1 .]" 2 108 1 136 GLU O 1 140 MET H 2.000 . 2.500 2.143 1.776 2.483 . 0 0 "[ . 1 .]" 2 109 1 137 ALA O 1 141 ILE N 3.000 2.300 3.500 3.242 2.756 3.430 . 0 0 "[ . 1 .]" 2 110 1 137 ALA O 1 141 ILE H 2.000 . 2.500 2.316 1.790 2.512 0.012 9 0 "[ . 1 .]" 2 111 1 138 LYS O 1 142 GLU N 3.000 2.300 3.500 2.946 2.602 3.282 . 0 0 "[ . 1 .]" 2 112 1 138 LYS O 1 142 GLU H 2.000 . 2.500 2.013 1.768 2.364 . 0 0 "[ . 1 .]" 2 113 1 139 GLU O 1 143 GLU N 3.000 2.300 3.500 3.035 2.727 3.563 0.063 12 0 "[ . 1 .]" 2 114 1 139 GLU O 1 143 GLU H 2.000 . 2.500 2.417 2.174 2.608 0.108 14 0 "[ . 1 .]" 2 115 1 140 MET O 1 144 LEU N 3.000 2.300 3.500 3.133 2.893 3.256 . 0 0 "[ . 1 .]" 2 116 1 140 MET O 1 144 LEU H 2.000 . 2.500 2.461 2.146 2.604 0.104 13 0 "[ . 1 .]" 2 117 1 149 GLU O 1 153 LYS N 3.000 2.300 3.500 2.813 2.435 2.984 . 0 0 "[ . 1 .]" 2 118 1 149 GLU O 1 153 LYS H 2.000 . 2.500 1.879 1.535 2.151 . 0 0 "[ . 1 .]" 2 119 1 150 ASP O 1 154 ARG N 3.000 2.300 3.500 3.283 3.052 3.484 . 0 0 "[ . 1 .]" 2 120 1 150 ASP O 1 154 ARG H 2.000 . 2.500 2.327 2.079 2.519 0.019 13 0 "[ . 1 .]" 2 121 1 151 GLU O 1 155 ALA N 3.000 2.300 3.500 2.647 2.524 3.108 . 0 0 "[ . 1 .]" 2 122 1 151 GLU O 1 155 ALA H 2.000 . 2.500 1.788 1.626 2.308 . 0 0 "[ . 1 .]" 2 123 1 152 LYS O 1 156 LEU N 3.000 2.300 3.500 2.772 2.589 2.947 . 0 0 "[ . 1 .]" 2 124 1 152 LYS O 1 156 LEU H 2.000 . 2.500 1.930 1.634 2.147 . 0 0 "[ . 1 .]" 2 125 1 153 LYS O 1 157 GLU N 3.000 2.300 3.500 3.321 3.039 3.481 . 0 0 "[ . 1 .]" 2 126 1 153 LYS O 1 157 GLU H 2.000 . 2.500 2.362 2.128 2.527 0.027 5 0 "[ . 1 .]" 2 127 1 154 ARG O 1 158 ARG N 3.000 2.300 3.500 2.999 2.518 3.297 . 0 0 "[ . 1 .]" 2 128 1 154 ARG O 1 158 ARG H 2.000 . 2.500 2.130 1.634 2.435 . 0 0 "[ . 1 .]" 2 129 1 155 ALA O 1 159 LEU N 3.000 2.300 3.500 2.831 2.545 3.197 . 0 0 "[ . 1 .]" 2 130 1 155 ALA O 1 159 LEU H 2.000 . 2.500 1.964 1.703 2.357 . 0 0 "[ . 1 .]" 2 131 1 157 GLU O 1 161 LYS N 3.000 2.300 3.500 2.698 2.547 3.069 . 0 0 "[ . 1 .]" 2 132 1 157 GLU O 1 161 LYS H 2.000 . 2.500 1.762 1.587 2.112 . 0 0 "[ . 1 .]" 2 133 1 158 ARG O 1 162 LEU N 3.000 2.300 3.500 3.120 2.757 3.357 . 0 0 "[ . 1 .]" 2 134 1 158 ARG O 1 162 LEU H 2.000 . 2.500 2.251 1.801 2.526 0.026 15 0 "[ . 1 .]" 2 135 1 159 LEU O 1 163 THR N 3.000 2.300 3.500 2.960 2.669 3.114 . 0 0 "[ . 1 .]" 2 136 1 159 LEU O 1 163 THR H 2.000 . 2.500 2.064 1.752 2.284 . 0 0 "[ . 1 .]" 2 137 1 160 GLN O 1 164 ASP N 3.000 2.300 3.500 2.849 2.579 3.288 . 0 0 "[ . 1 .]" 2 138 1 160 GLN O 1 164 ASP H 2.000 . 2.500 1.915 1.630 2.458 . 0 0 "[ . 1 .]" 2 139 1 161 LYS O 1 165 LYS N 3.000 2.300 3.500 3.206 2.710 3.508 0.008 9 0 "[ . 1 .]" 2 140 1 161 LYS O 1 165 LYS H 2.000 . 2.500 2.369 1.888 2.575 0.075 11 0 "[ . 1 .]" 2 141 1 162 LEU O 1 166 TYR N 3.000 2.300 3.500 3.142 2.730 3.516 0.016 5 0 "[ . 1 .]" 2 142 1 162 LEU O 1 166 TYR H 2.000 . 2.500 2.289 1.967 2.561 0.061 5 0 "[ . 1 .]" 2 143 1 163 THR O 1 167 ILE N 3.000 2.300 3.500 2.873 2.563 3.290 . 0 0 "[ . 1 .]" 2 144 1 163 THR O 1 167 ILE H 2.000 . 2.500 1.986 1.591 2.510 0.010 6 0 "[ . 1 .]" 2 145 1 164 ASP O 1 168 ASP N 3.000 2.300 3.500 2.956 2.519 3.458 . 0 0 "[ . 1 .]" 2 146 1 164 ASP O 1 168 ASP H 2.000 . 2.500 2.015 1.561 2.522 0.022 4 0 "[ . 1 .]" 2 147 1 165 LYS O 1 169 GLU N 3.000 2.300 3.500 3.067 2.515 3.471 . 0 0 "[ . 1 .]" 2 148 1 165 LYS O 1 169 GLU H 2.000 . 2.500 2.194 1.684 2.523 0.023 4 0 "[ . 1 .]" 2 149 1 166 TYR O 1 170 ILE N 3.000 2.300 3.500 3.008 2.594 3.456 . 0 0 "[ . 1 .]" 2 150 1 166 TYR O 1 170 ILE H 2.000 . 2.500 2.082 1.701 2.497 . 0 0 "[ . 1 .]" 2 151 1 167 ILE O 1 171 ASN N 3.000 2.300 3.500 2.951 2.524 3.486 . 0 0 "[ . 1 .]" 2 152 1 167 ILE O 1 171 ASN H 2.000 . 2.500 2.012 1.590 2.506 0.006 14 0 "[ . 1 .]" 2 153 1 168 ASP O 1 172 LYS N 3.000 2.300 3.500 3.126 2.716 3.401 . 0 0 "[ . 1 .]" 2 154 1 168 ASP O 1 172 LYS H 2.000 . 2.500 2.275 1.880 2.464 . 0 0 "[ . 1 .]" 2 155 1 169 GLU O 1 173 LEU N 3.000 2.300 3.500 3.223 2.953 3.406 . 0 0 "[ . 1 .]" 2 156 1 169 GLU O 1 173 LEU H 2.000 . 2.500 2.352 2.050 2.516 0.016 2 0 "[ . 1 .]" 2 157 1 170 ILE O 1 174 MET N 3.000 2.300 3.500 2.946 2.589 3.158 . 0 0 "[ . 1 .]" 2 158 1 170 ILE O 1 174 MET H 2.000 . 2.500 1.994 1.652 2.205 . 0 0 "[ . 1 .]" 2 159 1 171 ASN O 1 175 GLU N 3.000 2.300 3.500 2.837 2.558 2.968 . 0 0 "[ . 1 .]" 2 160 1 171 ASN O 1 175 GLU H 2.000 . 2.500 1.914 1.660 2.009 . 0 0 "[ . 1 .]" 2 161 1 172 LYS O 1 176 ALA N 3.000 2.300 3.500 3.238 2.901 3.405 . 0 0 "[ . 1 .]" 2 162 1 172 LYS O 1 176 ALA H 2.000 . 2.500 2.334 1.939 2.502 0.002 9 0 "[ . 1 .]" 2 163 1 173 LEU O 1 177 LYS N 3.000 2.300 3.500 3.123 2.606 3.369 . 0 0 "[ . 1 .]" 2 164 1 173 LEU O 1 177 LYS H 2.000 . 2.500 2.168 1.671 2.489 . 0 0 "[ . 1 .]" 2 165 1 174 MET O 1 178 GLU N 3.000 2.300 3.500 2.784 2.645 2.962 . 0 0 "[ . 1 .]" 2 166 1 174 MET O 1 178 GLU H 2.000 . 2.500 1.829 1.679 1.984 . 0 0 "[ . 1 .]" 2 167 1 175 GLU O 1 179 LYS N 3.000 2.300 3.500 3.373 3.091 3.507 0.007 10 0 "[ . 1 .]" 2 168 1 175 GLU O 1 179 LYS H 2.000 . 2.500 2.443 2.128 2.537 0.037 12 0 "[ . 1 .]" 2 169 1 176 ALA O 1 180 GLU N 3.000 2.300 3.500 3.005 2.539 3.445 . 0 0 "[ . 1 .]" 2 170 1 176 ALA O 1 180 GLU H 2.000 . 2.500 2.159 1.676 2.562 0.062 8 0 "[ . 1 .]" 2 171 1 177 LYS O 1 181 ILE N 3.000 2.300 3.500 2.844 2.407 3.428 . 0 0 "[ . 1 .]" 2 172 1 177 LYS O 1 181 ILE H 2.000 . 2.500 1.928 1.514 2.527 0.027 2 0 "[ . 1 .]" 2 173 1 178 GLU O 1 182 MET N 3.000 2.300 3.500 2.995 2.594 3.495 . 0 0 "[ . 1 .]" 2 174 1 178 GLU O 1 182 MET H 2.000 . 2.500 2.087 1.642 2.541 0.041 2 0 "[ . 1 .]" 2 175 1 45 VAL O 1 52 VAL N 3.000 2.300 3.500 3.125 2.957 3.247 . 0 0 "[ . 1 .]" 2 176 1 45 VAL O 1 52 VAL H 2.000 . 2.500 2.163 2.015 2.295 . 0 0 "[ . 1 .]" 2 177 1 59 THR N 1 71 GLN O 3.000 2.300 3.500 2.843 2.560 3.217 . 0 0 "[ . 1 .]" 2 178 1 59 THR H 1 71 GLN O 2.000 . 2.500 1.988 1.619 2.472 . 0 0 "[ . 1 .]" 2 179 1 61 SER N 1 69 VAL O 3.000 2.300 3.500 2.945 2.574 3.167 . 0 0 "[ . 1 .]" 2 180 1 61 SER H 1 69 VAL O 2.000 . 2.500 2.030 1.605 2.317 . 0 0 "[ . 1 .]" 2 181 1 68 ILE N 1 102 VAL O 3.000 2.300 3.500 2.865 2.600 3.270 . 0 0 "[ . 1 .]" 2 182 1 68 ILE H 1 102 VAL O 2.000 . 2.500 1.938 1.655 2.440 . 0 0 "[ . 1 .]" 2 183 1 61 SER O 1 69 VAL N 3.000 2.300 3.500 2.998 2.602 3.247 . 0 0 "[ . 1 .]" 2 184 1 61 SER O 1 69 VAL H 2.000 . 2.500 2.123 1.716 2.435 . 0 0 "[ . 1 .]" 2 185 1 70 ILE N 1 100 ILE O 3.000 2.300 3.500 2.708 2.532 2.863 . 0 0 "[ . 1 .]" 2 186 1 70 ILE H 1 100 ILE O 2.000 . 2.500 1.843 1.634 2.114 . 0 0 "[ . 1 .]" 2 187 1 59 THR O 1 71 GLN N 3.000 2.300 3.500 2.979 2.544 3.365 . 0 0 "[ . 1 .]" 2 188 1 59 THR O 1 71 GLN H 2.000 . 2.500 2.105 1.589 2.513 0.013 3 0 "[ . 1 .]" 2 189 1 96 GLN O 1 99 VAL N 3.000 2.300 3.500 3.057 2.837 3.302 . 0 0 "[ . 1 .]" 2 190 1 96 GLN O 1 99 VAL H 2.000 . 2.500 2.130 1.870 2.397 . 0 0 "[ . 1 .]" 2 191 1 70 ILE O 1 100 ILE N 3.000 2.300 3.500 2.722 2.548 2.982 . 0 0 "[ . 1 .]" 2 192 1 70 ILE O 1 100 ILE H 2.000 . 2.500 1.868 1.638 2.172 . 0 0 "[ . 1 .]" 2 193 1 94 THR O 1 101 ARG N 3.000 2.300 3.500 2.756 2.578 2.914 . 0 0 "[ . 1 .]" 2 194 1 94 THR O 1 101 ARG H 2.000 . 2.500 1.846 1.650 2.025 . 0 0 "[ . 1 .]" 2 195 1 68 ILE O 1 102 VAL N 3.000 2.300 3.500 2.718 2.586 3.022 . 0 0 "[ . 1 .]" 2 196 1 68 ILE O 1 102 VAL H 2.000 . 2.500 1.889 1.670 2.430 . 0 0 "[ . 1 .]" 2 stop_ save_
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