NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
376603 | 1fm1 | 4679 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1fm1 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 2262 _Distance_constraint_stats_list.Viol_count 765 _Distance_constraint_stats_list.Viol_total 1009.286 _Distance_constraint_stats_list.Viol_max 0.639 _Distance_constraint_stats_list.Viol_rms 0.0067 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0005 _Distance_constraint_stats_list.Viol_average_violations_only 0.0440 _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 7 THR 0.034 0.019 25 0 "[ . 1 . 2 . 3]" 1 8 LEU 0.034 0.019 25 0 "[ . 1 . 2 . 3]" 1 9 LYS 0.399 0.075 24 0 "[ . 1 . 2 . 3]" 1 10 TRP 1.669 0.070 11 0 "[ . 1 . 2 . 3]" 1 11 SER 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 12 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 13 MET 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 14 ASN 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 15 LEU 1.028 0.105 28 0 "[ . 1 . 2 . 3]" 1 16 THR 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 17 TYR 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 18 ARG 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 19 ILE 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 20 VAL 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 21 ASN 0.011 0.011 5 0 "[ . 1 . 2 . 3]" 1 22 TYR 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 23 THR 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 24 PRO 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 25 ASP 1.918 0.109 20 0 "[ . 1 . 2 . 3]" 1 26 MET 0.132 0.040 23 0 "[ . 1 . 2 . 3]" 1 27 THR 0.006 0.006 14 0 "[ . 1 . 2 . 3]" 1 28 HIS 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 29 SER 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 30 GLU 0.006 0.006 14 0 "[ . 1 . 2 . 3]" 1 31 VAL 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 32 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 33 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 34 ALA 0.275 0.054 18 0 "[ . 1 . 2 . 3]" 1 35 PHE 0.230 0.057 29 0 "[ . 1 . 2 . 3]" 1 36 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 37 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 38 ALA 0.283 0.061 23 0 "[ . 1 . 2 . 3]" 1 39 PHE 0.140 0.136 28 0 "[ . 1 . 2 . 3]" 1 40 LYS 0.148 0.136 28 0 "[ . 1 . 2 . 3]" 1 41 VAL 1.298 0.639 23 1 "[ . 1 . 2 + . 3]" 1 42 TRP 1.101 0.097 20 0 "[ . 1 . 2 . 3]" 1 43 SER 0.650 0.111 28 0 "[ . 1 . 2 . 3]" 1 44 ASP 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 45 VAL 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 46 THR 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 47 PRO 0.134 0.037 14 0 "[ . 1 . 2 . 3]" 1 48 LEU 0.719 0.105 28 0 "[ . 1 . 2 . 3]" 1 49 ASN 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 50 PHE 1.996 0.111 28 0 "[ . 1 . 2 . 3]" 1 51 THR 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 52 ARG 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 53 LEU 0.230 0.043 21 0 "[ . 1 . 2 . 3]" 1 54 HIS 0.016 0.016 7 0 "[ . 1 . 2 . 3]" 1 55 ASP 0.214 0.043 21 0 "[ . 1 . 2 . 3]" 1 56 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 57 ILE 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 58 ALA 1.344 0.202 10 0 "[ . 1 . 2 . 3]" 1 59 ASP 0.047 0.034 19 0 "[ . 1 . 2 . 3]" 1 60 ILE 4.241 0.327 7 0 "[ . 1 . 2 . 3]" 1 61 MET 1.344 0.202 10 0 "[ . 1 . 2 . 3]" 1 62 ILE 0.177 0.057 29 0 "[ . 1 . 2 . 3]" 1 63 SER 0.011 0.011 5 0 "[ . 1 . 2 . 3]" 1 64 PHE 0.262 0.046 14 0 "[ . 1 . 2 . 3]" 1 65 GLY 0.262 0.046 14 0 "[ . 1 . 2 . 3]" 1 66 ILE 0.872 0.370 24 0 "[ . 1 . 2 . 3]" 1 67 LYS 0.033 0.031 24 0 "[ . 1 . 2 . 3]" 1 68 GLU 0.033 0.031 24 0 "[ . 1 . 2 . 3]" 1 69 HIS 0.456 0.087 27 0 "[ . 1 . 2 . 3]" 1 74 PRO 0.129 0.043 1 0 "[ . 1 . 2 . 3]" 1 75 PHE 2.174 0.370 24 0 "[ . 1 . 2 . 3]" 1 76 ASP 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 77 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 78 PRO 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 79 SER 0.402 0.094 18 0 "[ . 1 . 2 . 3]" 1 80 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 81 LEU 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 82 LEU 0.372 0.063 7 0 "[ . 1 . 2 . 3]" 1 83 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 84 HIS 0.346 0.094 19 0 "[ . 1 . 2 . 3]" 1 85 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 86 PHE 0.787 0.111 6 0 "[ . 1 . 2 . 3]" 1 88 PRO 0.156 0.049 18 0 "[ . 1 . 2 . 3]" 1 89 GLY 0.100 0.046 19 0 "[ . 1 . 2 . 3]" 1 92 TYR 0.004 0.004 7 0 "[ . 1 . 2 . 3]" 1 93 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 94 GLY 0.642 0.070 11 0 "[ . 1 . 2 . 3]" 1 95 ASP 0.792 0.111 6 0 "[ . 1 . 2 . 3]" 1 96 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 97 HIS 0.013 0.013 30 0 "[ . 1 . 2 . 3]" 1 98 PHE 3.139 0.202 13 0 "[ . 1 . 2 . 3]" 1 99 ASP 0.955 0.117 26 0 "[ . 1 . 2 . 3]" 1 100 ASP 0.061 0.023 7 0 "[ . 1 . 2 . 3]" 1 101 ASP 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 102 GLU 2.351 0.122 7 0 "[ . 1 . 2 . 3]" 1 103 THR 1.592 0.106 12 0 "[ . 1 . 2 . 3]" 1 104 TRP 4.352 0.122 7 0 "[ . 1 . 2 . 3]" 1 105 THR 0.756 0.081 11 0 "[ . 1 . 2 . 3]" 1 106 SER 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 107 SER 0.026 0.013 13 0 "[ . 1 . 2 . 3]" 1 108 SER 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 109 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 110 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 111 TYR 1.338 0.094 18 0 "[ . 1 . 2 . 3]" 1 112 ASN 0.288 0.101 5 0 "[ . 1 . 2 . 3]" 1 113 LEU 0.702 0.081 11 0 "[ . 1 . 2 . 3]" 1 114 PHE 1.008 0.129 16 0 "[ . 1 . 2 . 3]" 1 115 LEU 2.139 0.129 16 0 "[ . 1 . 2 . 3]" 1 116 VAL 0.089 0.045 23 0 "[ . 1 . 2 . 3]" 1 117 ALA 0.026 0.026 13 0 "[ . 1 . 2 . 3]" 1 118 ALA 0.026 0.026 13 0 "[ . 1 . 2 . 3]" 1 119 HIS 0.562 0.055 18 0 "[ . 1 . 2 . 3]" 1 120 GLU 2.285 0.202 13 0 "[ . 1 . 2 . 3]" 1 121 PHE 3.674 0.327 7 0 "[ . 1 . 2 . 3]" 1 122 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 123 HIS 0.918 0.055 18 0 "[ . 1 . 2 . 3]" 1 124 SER 0.449 0.044 14 0 "[ . 1 . 2 . 3]" 1 125 LEU 0.207 0.061 14 0 "[ . 1 . 2 . 3]" 1 126 GLY 0.074 0.050 12 0 "[ . 1 . 2 . 3]" 1 127 LEU 0.024 0.024 12 0 "[ . 1 . 2 . 3]" 1 128 ASP 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 129 HIS 0.008 0.008 29 0 "[ . 1 . 2 . 3]" 1 130 SER 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 131 LYS 1.239 0.104 15 0 "[ . 1 . 2 . 3]" 1 132 ASP 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 133 PRO 0.640 0.085 30 0 "[ . 1 . 2 . 3]" 1 134 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 135 ALA 0.862 0.136 22 0 "[ . 1 . 2 . 3]" 1 136 LEU 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 137 MET 0.008 0.008 29 0 "[ . 1 . 2 . 3]" 1 138 PHE 1.880 0.104 15 0 "[ . 1 . 2 . 3]" 1 139 PRO 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 140 ILE 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 141 TYR 0.311 0.063 19 0 "[ . 1 . 2 . 3]" 1 142 THR 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 143 TYR 1.142 0.101 5 0 "[ . 1 . 2 . 3]" 1 144 THR 1.633 0.109 17 0 "[ . 1 . 2 . 3]" 1 145 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 146 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 149 PHE 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 150 MET 0.089 0.089 1 0 "[ . 1 . 2 . 3]" 1 151 LEU 0.637 0.126 1 0 "[ . 1 . 2 . 3]" 1 152 PRO 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 153 ASP 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 154 ASP 0.912 0.136 22 0 "[ . 1 . 2 . 3]" 1 155 ASP 0.050 0.018 25 0 "[ . 1 . 2 . 3]" 1 156 VAL 0.127 0.035 1 0 "[ . 1 . 2 . 3]" 1 157 GLN 0.034 0.034 12 0 "[ . 1 . 2 . 3]" 1 158 GLY 0.127 0.035 1 0 "[ . 1 . 2 . 3]" 1 159 ILE 0.016 0.016 12 0 "[ . 1 . 2 . 3]" 1 160 GLN 0.050 0.034 12 0 "[ . 1 . 2 . 3]" 1 161 SER 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 162 LEU 0.399 0.075 24 0 "[ . 1 . 2 . 3]" 1 163 TYR 0.134 0.037 14 0 "[ . 1 . 2 . 3]" 1 164 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3]" stop_ loop_ _Distance_constraint_stats.Restraint_ID _Distance_constraint_stats.Atom_1_entity_assembly_ID _Distance_constraint_stats.Atom_1_comp_index_ID _Distance_constraint_stats.Atom_1_comp_ID _Distance_constraint_stats.Atom_1_ID _Distance_constraint_stats.Atom_2_entity_assembly_ID _Distance_constraint_stats.Atom_2_comp_index_ID _Distance_constraint_stats.Atom_2_comp_ID _Distance_constraint_stats.Atom_2_ID _Distance_constraint_stats.Node_1_distance_val _Distance_constraint_stats.Node_1_distance_lower_bound_val _Distance_constraint_stats.Node_1_distance_upper_bound_val _Distance_constraint_stats.Distance_average _Distance_constraint_stats.Distance_minimum _Distance_constraint_stats.Distance_maximum _Distance_constraint_stats.Max_violation _Distance_constraint_stats.Max_violation_model_number _Distance_constraint_stats.Over_cutoff_violation_count _Distance_constraint_stats.Over_cutoff_viol_per_model _Distance_constraint_stats.Distance_constraint_stats_ID 1 1 7 THR HA 1 7 THR MG 2.500 . 3.800 2.303 2.246 2.353 . 0 0 "[ . 1 . 2 . 3]" 1 2 1 7 THR H 1 7 THR MG 4.000 . 6.500 3.922 3.727 4.138 . 0 0 "[ . 1 . 2 . 3]" 1 3 1 7 THR H 1 162 LEU MD1 4.000 . 6.500 3.760 2.952 4.370 . 0 0 "[ . 1 . 2 . 3]" 1 4 1 7 THR HA 1 162 LEU MD2 4.000 . 6.500 3.591 2.815 4.455 . 0 0 "[ . 1 . 2 . 3]" 1 5 1 7 THR HB 1 162 LEU MD2 4.000 . 6.500 4.517 2.999 5.271 . 0 0 "[ . 1 . 2 . 3]" 1 6 1 7 THR HA 1 9 LYS QE 4.000 . 6.000 4.286 3.469 5.389 . 0 0 "[ . 1 . 2 . 3]" 1 7 1 7 THR MG 1 9 LYS QE 4.000 . 7.500 5.046 4.469 5.507 . 0 0 "[ . 1 . 2 . 3]" 1 8 1 7 THR MG 1 8 LEU HG 4.000 . 6.500 3.028 2.252 3.637 . 0 0 "[ . 1 . 2 . 3]" 1 9 1 7 THR HB 1 8 LEU H 4.000 . 5.000 2.107 1.781 2.566 0.019 25 0 "[ . 1 . 2 . 3]" 1 10 1 8 LEU HB3 1 8 LEU MD2 3.000 . 4.800 2.277 2.248 2.311 . 0 0 "[ . 1 . 2 . 3]" 1 11 1 8 LEU HB2 1 8 LEU MD1 3.000 . 4.800 2.326 2.271 2.390 . 0 0 "[ . 1 . 2 . 3]" 1 12 1 8 LEU HA 1 8 LEU MD2 3.000 . 4.800 2.137 2.101 2.170 . 0 0 "[ . 1 . 2 . 3]" 1 13 1 8 LEU H 1 8 LEU MD2 3.000 . 5.000 3.381 3.200 3.571 . 0 0 "[ . 1 . 2 . 3]" 1 14 1 8 LEU H 1 8 LEU HG 3.000 . 3.500 2.235 2.024 2.478 . 0 0 "[ . 1 . 2 . 3]" 1 15 1 8 LEU H 1 8 LEU HB2 4.000 . 5.000 2.516 2.489 2.560 . 0 0 "[ . 1 . 2 . 3]" 1 16 1 8 LEU MD2 1 9 LYS H 3.000 . 5.000 3.571 3.443 3.714 . 0 0 "[ . 1 . 2 . 3]" 1 17 1 8 LEU HB3 1 9 LYS H 4.000 . 5.000 3.153 2.868 3.440 . 0 0 "[ . 1 . 2 . 3]" 1 18 1 8 LEU HB3 1 9 LYS HA 4.000 . 5.000 4.404 4.347 4.473 . 0 0 "[ . 1 . 2 . 3]" 1 19 1 9 LYS HA 1 9 LYS QG 3.000 . 4.100 3.313 3.280 3.418 . 0 0 "[ . 1 . 2 . 3]" 1 20 1 9 LYS QB 1 9 LYS QE 4.000 . 7.000 3.098 2.163 3.638 . 0 0 "[ . 1 . 2 . 3]" 1 21 1 9 LYS HA 1 9 LYS QD 4.000 . 6.000 4.255 3.694 4.509 . 0 0 "[ . 1 . 2 . 3]" 1 22 1 9 LYS HA 1 9 LYS QE 4.000 . 6.000 5.126 4.364 5.591 . 0 0 "[ . 1 . 2 . 3]" 1 23 1 9 LYS H 1 9 LYS QB 3.000 . 4.100 3.305 3.253 3.363 . 0 0 "[ . 1 . 2 . 3]" 1 24 1 9 LYS H 1 9 LYS QG 4.000 . 6.000 2.415 2.285 2.532 . 0 0 "[ . 1 . 2 . 3]" 1 25 1 9 LYS H 1 9 LYS QD 4.000 . 6.000 4.259 2.519 4.571 . 0 0 "[ . 1 . 2 . 3]" 1 26 1 9 LYS QB 1 10 TRP H 2.500 . 3.900 2.520 2.393 2.584 . 0 0 "[ . 1 . 2 . 3]" 1 27 1 9 LYS QG 1 10 TRP H 4.000 . 6.000 3.708 3.551 3.880 . 0 0 "[ . 1 . 2 . 3]" 1 28 1 9 LYS QD 1 10 TRP H 4.000 . 6.000 4.655 4.399 5.321 . 0 0 "[ . 1 . 2 . 3]" 1 29 1 9 LYS QE 1 162 LEU HA 4.000 . 6.000 4.078 3.355 4.727 . 0 0 "[ . 1 . 2 . 3]" 1 30 1 9 LYS QE 1 162 LEU MD2 3.000 . 5.800 3.616 2.957 4.044 . 0 0 "[ . 1 . 2 . 3]" 1 31 1 9 LYS QE 1 162 LEU MD1 4.000 . 7.500 5.315 4.601 5.584 . 0 0 "[ . 1 . 2 . 3]" 1 32 1 9 LYS QD 1 162 LEU HA 4.000 . 6.000 4.038 2.980 5.246 . 0 0 "[ . 1 . 2 . 3]" 1 33 1 9 LYS QB 1 162 LEU MD2 4.000 . 7.500 3.419 3.073 3.776 . 0 0 "[ . 1 . 2 . 3]" 1 34 1 9 LYS QB 1 163 TYR QE 4.000 . 6.000 3.225 2.636 3.818 . 0 0 "[ . 1 . 2 . 3]" 1 35 1 9 LYS QD 1 162 LEU MD2 4.000 . 7.500 3.529 2.320 4.967 . 0 0 "[ . 1 . 2 . 3]" 1 36 1 9 LYS HA 1 162 LEU MD2 4.000 . 6.500 5.163 5.003 5.264 . 0 0 "[ . 1 . 2 . 3]" 1 37 1 9 LYS QG 1 162 LEU MD2 4.000 . 7.500 4.385 3.643 5.224 . 0 0 "[ . 1 . 2 . 3]" 1 38 1 9 LYS HA 1 162 LEU HB3 4.000 . 5.000 4.976 4.805 5.075 0.075 24 0 "[ . 1 . 2 . 3]" 1 39 1 10 TRP HA 1 10 TRP HE3 4.000 . 5.000 3.337 2.850 3.684 . 0 0 "[ . 1 . 2 . 3]" 1 40 1 10 TRP H 1 10 TRP HB2 3.000 . 3.500 2.398 2.355 2.519 . 0 0 "[ . 1 . 2 . 3]" 1 41 1 10 TRP H 1 10 TRP HD1 3.000 . 3.500 2.279 1.825 2.648 . 0 0 "[ . 1 . 2 . 3]" 1 42 1 10 TRP H 1 10 TRP HB3 4.000 . 5.000 3.612 3.602 3.632 . 0 0 "[ . 1 . 2 . 3]" 1 43 1 10 TRP H 1 163 TYR QE 4.000 . 5.000 2.775 2.252 3.083 . 0 0 "[ . 1 . 2 . 3]" 1 44 1 10 TRP H 1 163 TYR QD 4.000 . 5.000 4.814 4.546 4.939 . 0 0 "[ . 1 . 2 . 3]" 1 45 1 10 TRP H 1 15 LEU MD1 4.000 . 6.500 5.148 4.971 5.251 . 0 0 "[ . 1 . 2 . 3]" 1 46 1 10 TRP HB3 1 12 LYS H 3.000 . 3.500 2.467 2.296 3.169 . 0 0 "[ . 1 . 2 . 3]" 1 47 1 10 TRP HB2 1 12 LYS H 4.000 . 4.500 3.453 3.229 4.467 . 0 0 "[ . 1 . 2 . 3]" 1 48 1 10 TRP HE1 1 125 LEU HA 3.000 . 3.500 3.400 3.074 3.561 0.061 14 0 "[ . 1 . 2 . 3]" 1 49 1 10 TRP HE1 1 88 PRO HA 4.000 . 5.000 4.788 4.159 5.049 0.049 18 0 "[ . 1 . 2 . 3]" 1 50 1 10 TRP HE1 1 125 LEU MD2 3.000 . 5.000 3.578 3.088 3.887 . 0 0 "[ . 1 . 2 . 3]" 1 51 1 10 TRP HE1 1 15 LEU MD1 4.000 . 6.500 3.881 3.471 4.366 . 0 0 "[ . 1 . 2 . 3]" 1 52 1 10 TRP HA 1 15 LEU MD1 5.000 . 7.500 5.527 5.253 5.805 . 0 0 "[ . 1 . 2 . 3]" 1 53 1 10 TRP HA 1 15 LEU MD2 5.000 . 7.500 4.798 4.677 4.948 . 0 0 "[ . 1 . 2 . 3]" 1 54 1 10 TRP HH2 1 94 GLY QA 4.000 . 6.000 2.713 2.369 3.038 . 0 0 "[ . 1 . 2 . 3]" 1 55 1 10 TRP HH2 1 59 ASP HB3 4.000 . 5.000 2.877 2.438 3.360 . 0 0 "[ . 1 . 2 . 3]" 1 56 1 10 TRP HZ2 1 94 GLY HA3 4.000 . 6.000 3.323 2.852 4.305 . 0 0 "[ . 1 . 2 . 3]" 1 57 1 10 TRP HZ2 1 94 GLY HA2 4.000 . 6.000 3.311 3.062 3.567 . 0 0 "[ . 1 . 2 . 3]" 1 58 1 10 TRP HD1 1 125 LEU MD2 4.000 . 6.500 3.448 2.777 3.897 . 0 0 "[ . 1 . 2 . 3]" 1 59 1 10 TRP HH2 1 60 ILE HA 4.000 . 5.000 4.996 4.762 5.060 0.060 29 0 "[ . 1 . 2 . 3]" 1 60 1 10 TRP HH2 1 59 ASP HA 4.000 . 5.000 4.713 4.223 5.034 0.034 19 0 "[ . 1 . 2 . 3]" 1 61 1 10 TRP HD1 1 48 LEU MD1 4.000 . 6.500 4.160 3.169 4.607 . 0 0 "[ . 1 . 2 . 3]" 1 62 1 10 TRP HD1 1 48 LEU MD2 4.000 . 6.500 4.266 3.662 4.954 . 0 0 "[ . 1 . 2 . 3]" 1 63 1 10 TRP HB2 1 48 LEU MD1 4.000 . 6.500 4.575 3.925 5.068 . 0 0 "[ . 1 . 2 . 3]" 1 64 1 10 TRP HB2 1 48 LEU MD2 4.000 . 6.500 3.495 2.998 3.809 . 0 0 "[ . 1 . 2 . 3]" 1 65 1 10 TRP HH2 1 15 LEU MD1 4.000 . 6.500 5.231 5.091 5.310 . 0 0 "[ . 1 . 2 . 3]" 1 66 1 10 TRP HH2 1 15 LEU MD2 4.000 . 6.500 3.843 3.635 4.152 . 0 0 "[ . 1 . 2 . 3]" 1 67 1 10 TRP HD1 1 15 LEU MD1 4.000 . 6.500 3.728 3.429 4.085 . 0 0 "[ . 1 . 2 . 3]" 1 68 1 10 TRP HZ3 1 15 LEU MD1 4.000 . 6.500 5.253 4.980 5.356 . 0 0 "[ . 1 . 2 . 3]" 1 69 1 10 TRP HZ3 1 15 LEU MD2 4.000 . 6.500 3.270 3.065 3.533 . 0 0 "[ . 1 . 2 . 3]" 1 70 1 10 TRP HB3 1 15 LEU MD2 3.000 . 4.800 3.099 2.867 3.289 . 0 0 "[ . 1 . 2 . 3]" 1 71 1 10 TRP HB3 1 15 LEU MD1 4.000 . 6.500 3.833 3.469 4.105 . 0 0 "[ . 1 . 2 . 3]" 1 72 1 10 TRP HB2 1 15 LEU MD1 4.000 . 6.500 3.596 3.268 3.772 . 0 0 "[ . 1 . 2 . 3]" 1 73 1 10 TRP HE3 1 15 LEU MD2 4.000 . 6.500 2.702 2.374 2.895 . 0 0 "[ . 1 . 2 . 3]" 1 74 1 10 TRP HZ2 1 15 LEU MD2 4.000 . 6.500 4.106 3.844 4.616 . 0 0 "[ . 1 . 2 . 3]" 1 75 1 10 TRP HB2 1 13 MET ME 4.000 . 6.500 3.989 3.580 4.672 . 0 0 "[ . 1 . 2 . 3]" 1 76 1 10 TRP HZ2 1 94 GLY H 4.000 . 5.000 4.969 4.582 5.070 0.070 11 0 "[ . 1 . 2 . 3]" 1 77 1 10 TRP HA 1 88 PRO QB 4.000 . 6.000 3.675 2.865 4.208 . 0 0 "[ . 1 . 2 . 3]" 1 78 1 10 TRP HZ2 1 60 ILE MD 4.000 . 6.500 3.122 2.450 3.454 . 0 0 "[ . 1 . 2 . 3]" 1 79 1 10 TRP HH2 1 60 ILE MD 4.000 . 6.500 4.105 3.591 4.504 . 0 0 "[ . 1 . 2 . 3]" 1 80 1 10 TRP HH2 1 89 GLY H 4.000 . 5.000 4.306 2.854 5.046 0.046 19 0 "[ . 1 . 2 . 3]" 1 81 1 11 SER HB3 1 12 LYS H 4.000 . 5.000 3.905 2.562 4.471 . 0 0 "[ . 1 . 2 . 3]" 1 82 1 11 SER HB2 1 12 LYS H 4.000 . 5.000 4.245 3.582 4.521 . 0 0 "[ . 1 . 2 . 3]" 1 83 1 11 SER QB 1 13 MET ME 4.000 . 7.500 5.388 4.949 5.646 . 0 0 "[ . 1 . 2 . 3]" 1 84 1 11 SER HA 1 13 MET ME 4.000 . 6.500 4.242 3.840 4.513 . 0 0 "[ . 1 . 2 . 3]" 1 85 1 12 LYS HA 1 12 LYS QD 4.000 . 6.000 4.279 4.252 4.470 . 0 0 "[ . 1 . 2 . 3]" 1 86 1 12 LYS QB 1 12 LYS QE 4.000 . 7.000 3.511 2.075 3.654 . 0 0 "[ . 1 . 2 . 3]" 1 87 1 12 LYS H 1 12 LYS QB 3.000 . 4.100 3.144 2.750 3.235 . 0 0 "[ . 1 . 2 . 3]" 1 88 1 12 LYS H 1 12 LYS QD 4.000 . 6.000 4.197 3.760 4.357 . 0 0 "[ . 1 . 2 . 3]" 1 89 1 12 LYS H 1 12 LYS HG3 2.500 . 3.900 3.076 2.801 3.413 . 0 0 "[ . 1 . 2 . 3]" 1 90 1 12 LYS H 1 12 LYS HG2 2.500 . 3.900 2.238 1.761 2.366 . 0 0 "[ . 1 . 2 . 3]" 1 91 1 12 LYS H 1 12 LYS QE 4.000 . 6.000 4.389 3.845 4.923 . 0 0 "[ . 1 . 2 . 3]" 1 92 1 12 LYS H 1 15 LEU MD2 4.000 . 6.500 4.544 4.318 4.831 . 0 0 "[ . 1 . 2 . 3]" 1 93 1 12 LYS QB 1 13 MET H 4.000 . 6.000 2.725 2.570 3.093 . 0 0 "[ . 1 . 2 . 3]" 1 94 1 12 LYS QG 1 14 ASN H 4.000 . 6.000 2.725 2.469 3.398 . 0 0 "[ . 1 . 2 . 3]" 1 95 1 12 LYS QD 1 14 ASN H 4.000 . 6.000 3.505 3.278 4.493 . 0 0 "[ . 1 . 2 . 3]" 1 96 1 12 LYS QB 1 14 ASN H 2.500 . 3.900 2.445 2.336 2.561 . 0 0 "[ . 1 . 2 . 3]" 1 97 1 12 LYS QG 1 15 LEU HG 4.000 . 6.000 3.756 3.162 4.042 . 0 0 "[ . 1 . 2 . 3]" 1 98 1 12 LYS QE 1 15 LEU MD2 2.500 . 5.200 2.522 2.214 3.505 . 0 0 "[ . 1 . 2 . 3]" 1 99 1 12 LYS QE 1 15 LEU MD1 4.000 . 7.500 4.935 4.581 5.510 . 0 0 "[ . 1 . 2 . 3]" 1 100 1 12 LYS QE 1 15 LEU HA 4.000 . 6.000 3.671 3.204 5.417 . 0 0 "[ . 1 . 2 . 3]" 1 101 1 12 LYS QD 1 15 LEU MD2 4.000 . 7.500 3.903 2.358 4.274 . 0 0 "[ . 1 . 2 . 3]" 1 102 1 12 LYS QB 1 15 LEU MD2 4.000 . 7.500 4.701 4.258 4.927 . 0 0 "[ . 1 . 2 . 3]" 1 103 1 12 LYS HA 1 13 MET ME 4.000 . 6.500 3.329 2.669 4.999 . 0 0 "[ . 1 . 2 . 3]" 1 104 1 12 LYS HG3 1 15 LEU MD2 4.000 . 7.500 3.048 2.658 3.263 . 0 0 "[ . 1 . 2 . 3]" 1 105 1 12 LYS HG2 1 15 LEU MD2 4.000 . 7.500 3.807 3.191 4.039 . 0 0 "[ . 1 . 2 . 3]" 1 106 1 13 MET H 1 13 MET HB2 3.000 . 3.500 2.458 2.363 2.757 . 0 0 "[ . 1 . 2 . 3]" 1 107 1 13 MET H 1 13 MET HB3 4.000 . 5.000 3.645 3.621 3.668 . 0 0 "[ . 1 . 2 . 3]" 1 108 1 13 MET HB3 1 13 MET ME 4.000 . 6.500 3.931 2.662 4.150 . 0 0 "[ . 1 . 2 . 3]" 1 109 1 13 MET HB2 1 13 MET ME 4.000 . 6.500 3.989 3.778 4.148 . 0 0 "[ . 1 . 2 . 3]" 1 110 1 13 MET HA 1 13 MET ME 3.000 . 4.800 2.912 2.632 3.123 . 0 0 "[ . 1 . 2 . 3]" 1 111 1 13 MET HA 1 13 MET HG3 4.000 . 5.600 3.078 2.317 3.748 . 0 0 "[ . 1 . 2 . 3]" 1 112 1 13 MET HA 1 13 MET HG2 4.000 . 5.600 3.319 2.929 3.619 . 0 0 "[ . 1 . 2 . 3]" 1 113 1 13 MET H 1 13 MET HG3 3.000 . 4.500 3.688 3.636 3.755 . 0 0 "[ . 1 . 2 . 3]" 1 114 1 13 MET H 1 13 MET HG2 3.000 . 4.500 3.101 2.204 4.040 . 0 0 "[ . 1 . 2 . 3]" 1 115 1 13 MET QG 1 14 ASN H 4.000 . 6.000 4.512 4.218 4.793 . 0 0 "[ . 1 . 2 . 3]" 1 116 1 13 MET HB2 1 14 ASN H 4.000 . 5.000 3.538 3.462 3.598 . 0 0 "[ . 1 . 2 . 3]" 1 117 1 13 MET HB3 1 14 ASN H 4.000 . 5.000 4.275 4.204 4.449 . 0 0 "[ . 1 . 2 . 3]" 1 118 1 13 MET HA 1 49 ASN H 4.000 . 5.000 4.164 3.587 4.791 . 0 0 "[ . 1 . 2 . 3]" 1 119 1 13 MET HB3 1 49 ASN H 4.000 . 5.000 3.542 3.087 4.411 . 0 0 "[ . 1 . 2 . 3]" 1 120 1 13 MET HB3 1 48 LEU HA 4.000 . 5.000 2.689 2.427 3.254 . 0 0 "[ . 1 . 2 . 3]" 1 121 1 13 MET HA 1 48 LEU MD2 2.500 . 4.200 2.160 2.066 2.308 . 0 0 "[ . 1 . 2 . 3]" 1 122 1 13 MET HA 1 48 LEU MD1 4.000 . 6.500 4.670 4.531 4.911 . 0 0 "[ . 1 . 2 . 3]" 1 123 1 13 MET HG3 1 48 LEU MD2 3.000 . 5.800 3.339 2.287 4.475 . 0 0 "[ . 1 . 2 . 3]" 1 124 1 13 MET HG2 1 48 LEU MD2 3.000 . 5.800 3.925 3.509 4.740 . 0 0 "[ . 1 . 2 . 3]" 1 125 1 13 MET HB3 1 48 LEU MD2 3.000 . 4.800 2.974 2.412 3.417 . 0 0 "[ . 1 . 2 . 3]" 1 126 1 13 MET HA 1 48 LEU HA 4.000 . 5.000 3.278 2.883 3.983 . 0 0 "[ . 1 . 2 . 3]" 1 127 1 13 MET ME 1 163 TYR HA 4.000 . 6.500 4.146 3.423 4.680 . 0 0 "[ . 1 . 2 . 3]" 1 128 1 13 MET ME 1 48 LEU HA 4.000 . 6.500 5.029 4.252 5.456 . 0 0 "[ . 1 . 2 . 3]" 1 129 1 13 MET ME 1 163 TYR QD 3.000 . 4.800 2.683 2.215 3.165 . 0 0 "[ . 1 . 2 . 3]" 1 130 1 13 MET ME 1 163 TYR QE 3.000 . 4.800 3.595 3.007 3.955 . 0 0 "[ . 1 . 2 . 3]" 1 131 1 13 MET ME 1 47 PRO QD 4.000 . 7.500 4.897 3.737 5.324 . 0 0 "[ . 1 . 2 . 3]" 1 132 1 13 MET ME 1 163 TYR HB3 4.000 . 6.500 4.035 3.259 4.555 . 0 0 "[ . 1 . 2 . 3]" 1 133 1 13 MET ME 1 48 LEU MD2 3.000 . 6.300 3.065 2.307 3.280 . 0 0 "[ . 1 . 2 . 3]" 1 134 1 13 MET ME 1 48 LEU MD1 4.000 . 8.000 4.865 4.141 5.179 . 0 0 "[ . 1 . 2 . 3]" 1 135 1 13 MET ME 1 15 LEU MD1 4.000 . 8.000 5.308 5.225 5.388 . 0 0 "[ . 1 . 2 . 3]" 1 136 1 13 MET ME 1 48 LEU HG 4.000 . 6.500 4.979 3.822 5.306 . 0 0 "[ . 1 . 2 . 3]" 1 137 1 13 MET HA 1 15 LEU HG 4.000 . 5.000 4.125 3.984 4.304 . 0 0 "[ . 1 . 2 . 3]" 1 138 1 14 ASN H 1 14 ASN HB2 2.500 . 2.900 2.426 2.389 2.527 . 0 0 "[ . 1 . 2 . 3]" 1 139 1 14 ASN QB 1 15 LEU H 3.000 . 4.500 3.269 3.169 3.402 . 0 0 "[ . 1 . 2 . 3]" 1 140 1 14 ASN HA 1 49 ASN QB 4.000 . 6.000 2.603 2.349 2.890 . 0 0 "[ . 1 . 2 . 3]" 1 141 1 15 LEU HB3 1 15 LEU MD1 2.500 . 4.200 2.426 2.395 2.460 . 0 0 "[ . 1 . 2 . 3]" 1 142 1 15 LEU HB2 1 15 LEU MD1 2.500 . 4.200 2.298 2.251 2.346 . 0 0 "[ . 1 . 2 . 3]" 1 143 1 15 LEU HA 1 15 LEU MD2 3.000 . 4.800 2.179 2.142 2.204 . 0 0 "[ . 1 . 2 . 3]" 1 144 1 15 LEU HA 1 15 LEU MD1 4.000 . 6.500 3.851 3.823 3.875 . 0 0 "[ . 1 . 2 . 3]" 1 145 1 15 LEU H 1 15 LEU HB2 3.000 . 3.500 2.761 2.741 2.785 . 0 0 "[ . 1 . 2 . 3]" 1 146 1 15 LEU H 1 15 LEU HG 3.000 . 3.500 3.166 3.046 3.295 . 0 0 "[ . 1 . 2 . 3]" 1 147 1 15 LEU H 1 15 LEU MD1 4.000 . 6.500 4.134 4.064 4.222 . 0 0 "[ . 1 . 2 . 3]" 1 148 1 15 LEU H 1 15 LEU MD2 4.000 . 6.500 4.040 3.977 4.129 . 0 0 "[ . 1 . 2 . 3]" 1 149 1 15 LEU HB3 1 16 THR H 3.000 . 3.300 2.825 2.763 2.904 . 0 0 "[ . 1 . 2 . 3]" 1 150 1 15 LEU HB2 1 16 THR H 4.000 . 5.000 3.917 3.842 4.011 . 0 0 "[ . 1 . 2 . 3]" 1 151 1 15 LEU HB2 1 51 THR H 4.000 . 5.000 4.622 4.401 4.753 . 0 0 "[ . 1 . 2 . 3]" 1 152 1 15 LEU MD2 1 16 THR H 4.000 . 6.500 3.389 3.256 3.532 . 0 0 "[ . 1 . 2 . 3]" 1 153 1 15 LEU HB3 1 50 PHE HD1 4.000 . 5.000 3.369 3.099 3.634 . 0 0 "[ . 1 . 2 . 3]" 1 154 1 15 LEU HB3 1 50 PHE HE1 4.000 . 5.000 3.685 3.499 3.895 . 0 0 "[ . 1 . 2 . 3]" 1 155 1 15 LEU HB2 1 50 PHE HE1 4.000 . 5.000 3.312 3.075 3.488 . 0 0 "[ . 1 . 2 . 3]" 1 156 1 15 LEU HB3 1 16 THR HA 4.000 . 5.000 4.515 4.427 4.575 . 0 0 "[ . 1 . 2 . 3]" 1 157 1 15 LEU MD1 1 125 LEU MD2 3.000 . 6.300 3.593 3.268 3.809 . 0 0 "[ . 1 . 2 . 3]" 1 158 1 15 LEU HB3 1 59 ASP HB2 4.000 . 5.000 3.941 3.489 4.228 . 0 0 "[ . 1 . 2 . 3]" 1 159 1 15 LEU HB3 1 50 PHE HA 4.000 . 5.000 4.317 4.024 4.527 . 0 0 "[ . 1 . 2 . 3]" 1 160 1 15 LEU HG 1 48 LEU HA 4.000 . 5.000 5.006 4.860 5.105 0.105 28 0 "[ . 1 . 2 . 3]" 1 161 1 15 LEU HG 1 48 LEU MD2 3.000 . 4.800 3.403 3.175 3.580 . 0 0 "[ . 1 . 2 . 3]" 1 162 1 15 LEU MD1 1 50 PHE HD1 4.000 . 6.500 3.588 3.380 3.762 . 0 0 "[ . 1 . 2 . 3]" 1 163 1 15 LEU MD1 1 48 LEU MD1 4.000 . 8.000 2.641 2.220 2.991 . 0 0 "[ . 1 . 2 . 3]" 1 164 1 15 LEU MD1 1 48 LEU MD2 3.000 . 6.300 2.542 2.328 2.720 . 0 0 "[ . 1 . 2 . 3]" 1 165 1 15 LEU MD2 1 48 LEU MD2 4.000 . 8.000 4.100 3.916 4.235 . 0 0 "[ . 1 . 2 . 3]" 1 166 1 15 LEU HA 1 16 THR MG 4.000 . 6.500 3.343 3.225 3.460 . 0 0 "[ . 1 . 2 . 3]" 1 167 1 15 LEU HG 1 50 PHE HE1 4.000 . 5.000 4.814 4.540 5.024 0.024 30 0 "[ . 1 . 2 . 3]" 1 168 1 15 LEU MD1 1 50 PHE HZ 4.000 . 6.500 3.367 3.193 3.493 . 0 0 "[ . 1 . 2 . 3]" 1 169 1 15 LEU MD1 1 50 PHE HA 4.000 . 6.500 4.698 4.492 4.839 . 0 0 "[ . 1 . 2 . 3]" 1 170 1 15 LEU MD1 1 50 PHE HE1 3.000 . 4.800 2.367 2.174 2.574 . 0 0 "[ . 1 . 2 . 3]" 1 171 1 15 LEU MD2 1 50 PHE HE1 4.000 . 6.500 4.567 4.357 4.786 . 0 0 "[ . 1 . 2 . 3]" 1 172 1 15 LEU MD1 1 48 LEU HA 4.000 . 6.500 4.308 4.114 4.491 . 0 0 "[ . 1 . 2 . 3]" 1 173 1 15 LEU MD1 1 59 ASP HB2 4.000 . 6.500 5.207 4.915 5.358 . 0 0 "[ . 1 . 2 . 3]" 1 174 1 15 LEU MD2 1 59 ASP HB3 4.000 . 6.500 3.425 2.985 3.761 . 0 0 "[ . 1 . 2 . 3]" 1 175 1 15 LEU MD2 1 59 ASP HB2 4.000 . 6.500 3.390 3.140 3.596 . 0 0 "[ . 1 . 2 . 3]" 1 176 1 15 LEU MD1 1 48 LEU HB3 4.000 . 6.500 2.644 2.316 2.920 . 0 0 "[ . 1 . 2 . 3]" 1 177 1 15 LEU MD1 1 48 LEU HB2 4.000 . 6.500 4.004 3.496 4.372 . 0 0 "[ . 1 . 2 . 3]" 1 178 1 15 LEU MD2 1 48 LEU HB3 4.000 . 6.500 5.217 4.884 5.473 . 0 0 "[ . 1 . 2 . 3]" 1 179 1 15 LEU HB2 1 50 PHE HZ 4.000 . 5.000 4.975 4.811 5.053 0.053 1 0 "[ . 1 . 2 . 3]" 1 180 1 15 LEU MD1 1 125 LEU HA 4.000 . 6.500 5.305 4.916 5.468 . 0 0 "[ . 1 . 2 . 3]" 1 181 1 15 LEU MD1 1 60 ILE MD 3.000 . 6.300 2.940 2.614 3.385 . 0 0 "[ . 1 . 2 . 3]" 1 182 1 15 LEU MD2 1 60 ILE MD 4.000 . 8.000 3.414 3.123 3.759 . 0 0 "[ . 1 . 2 . 3]" 1 183 1 15 LEU H 1 49 ASN QB 4.000 . 6.000 3.408 3.222 3.604 . 0 0 "[ . 1 . 2 . 3]" 1 184 1 15 LEU H 1 51 THR H 4.000 . 5.000 4.249 3.998 4.360 . 0 0 "[ . 1 . 2 . 3]" 1 185 1 16 THR HA 1 16 THR MG 2.500 . 3.800 2.393 2.309 2.469 . 0 0 "[ . 1 . 2 . 3]" 1 186 1 16 THR H 1 59 ASP HB2 3.000 . 3.500 2.564 2.100 2.918 . 0 0 "[ . 1 . 2 . 3]" 1 187 1 16 THR H 1 59 ASP HB3 4.000 . 5.000 4.138 3.565 4.570 . 0 0 "[ . 1 . 2 . 3]" 1 188 1 16 THR H 1 16 THR MG 4.000 . 6.500 2.754 2.651 2.862 . 0 0 "[ . 1 . 2 . 3]" 1 189 1 16 THR HB 1 53 LEU H 4.000 . 5.000 4.402 4.168 4.622 . 0 0 "[ . 1 . 2 . 3]" 1 190 1 16 THR MG 1 59 ASP H 4.000 . 6.500 4.123 3.820 4.340 . 0 0 "[ . 1 . 2 . 3]" 1 191 1 16 THR HA 1 51 THR HB 4.000 . 5.000 3.313 3.091 3.516 . 0 0 "[ . 1 . 2 . 3]" 1 192 1 16 THR HA 1 58 ALA MB 4.000 . 6.500 4.153 3.996 4.481 . 0 0 "[ . 1 . 2 . 3]" 1 193 1 16 THR HB 1 58 ALA MB 3.000 . 4.800 3.062 2.840 3.387 . 0 0 "[ . 1 . 2 . 3]" 1 194 1 16 THR MG 1 58 ALA HA 4.000 . 6.500 4.539 4.323 4.801 . 0 0 "[ . 1 . 2 . 3]" 1 195 1 16 THR HB 1 58 ALA HA 4.000 . 5.000 4.116 3.749 4.364 . 0 0 "[ . 1 . 2 . 3]" 1 196 1 16 THR HB 1 53 LEU HG 4.000 . 5.000 2.356 2.308 2.469 . 0 0 "[ . 1 . 2 . 3]" 1 197 1 16 THR HA 1 53 LEU MD1 4.000 . 6.500 4.249 4.072 4.633 . 0 0 "[ . 1 . 2 . 3]" 1 198 1 16 THR HB 1 53 LEU MD1 3.000 . 4.800 2.214 2.083 2.521 . 0 0 "[ . 1 . 2 . 3]" 1 199 1 16 THR MG 1 53 LEU MD1 3.000 . 6.300 2.588 2.374 2.979 . 0 0 "[ . 1 . 2 . 3]" 1 200 1 16 THR HA 1 51 THR MG 4.000 . 6.500 4.474 4.261 4.613 . 0 0 "[ . 1 . 2 . 3]" 1 201 1 16 THR HB 1 51 THR MG 4.000 . 6.500 4.306 4.047 4.505 . 0 0 "[ . 1 . 2 . 3]" 1 202 1 16 THR MG 1 51 THR HA 4.000 . 6.500 4.887 4.782 5.047 . 0 0 "[ . 1 . 2 . 3]" 1 203 1 16 THR MG 1 53 LEU HG 3.000 . 4.800 3.525 3.255 3.729 . 0 0 "[ . 1 . 2 . 3]" 1 204 1 16 THR MG 1 51 THR HB 3.000 . 4.800 2.339 2.286 2.499 . 0 0 "[ . 1 . 2 . 3]" 1 205 1 16 THR HB 1 59 ASP H 4.000 . 5.000 4.162 3.715 4.470 . 0 0 "[ . 1 . 2 . 3]" 1 206 1 16 THR HB 1 17 TYR H 3.000 . 3.500 2.760 2.657 2.854 . 0 0 "[ . 1 . 2 . 3]" 1 207 1 16 THR HB 1 51 THR H 4.000 . 5.000 4.416 4.228 4.626 . 0 0 "[ . 1 . 2 . 3]" 1 208 1 16 THR MG 1 51 THR H 4.000 . 6.500 3.245 3.073 3.415 . 0 0 "[ . 1 . 2 . 3]" 1 209 1 17 TYR H 1 17 TYR QD 4.000 . 5.000 2.763 2.436 2.852 . 0 0 "[ . 1 . 2 . 3]" 1 210 1 17 TYR H 1 17 TYR HB3 4.000 . 5.000 3.283 3.225 3.399 . 0 0 "[ . 1 . 2 . 3]" 1 211 1 17 TYR H 1 17 TYR HB2 4.000 . 5.000 3.955 3.939 3.985 . 0 0 "[ . 1 . 2 . 3]" 1 212 1 17 TYR HB2 1 18 ARG H 3.000 . 3.300 2.595 2.480 2.674 . 0 0 "[ . 1 . 2 . 3]" 1 213 1 17 TYR H 1 53 LEU HG 4.000 . 5.000 3.394 3.226 3.634 . 0 0 "[ . 1 . 2 . 3]" 1 214 1 17 TYR H 1 52 ARG QG 4.000 . 6.000 4.748 4.425 5.353 . 0 0 "[ . 1 . 2 . 3]" 1 215 1 17 TYR H 1 58 ALA MB 4.000 . 6.500 3.113 2.972 3.355 . 0 0 "[ . 1 . 2 . 3]" 1 216 1 17 TYR H 1 53 LEU H 4.000 . 5.000 3.523 3.368 3.606 . 0 0 "[ . 1 . 2 . 3]" 1 217 1 17 TYR HA 1 58 ALA MB 3.000 . 4.800 2.118 2.058 2.256 . 0 0 "[ . 1 . 2 . 3]" 1 218 1 17 TYR HB3 1 58 ALA MB 4.000 . 6.500 4.123 4.048 4.354 . 0 0 "[ . 1 . 2 . 3]" 1 219 1 17 TYR HB2 1 58 ALA MB 4.000 . 6.500 4.007 3.919 4.235 . 0 0 "[ . 1 . 2 . 3]" 1 220 1 17 TYR HB2 1 62 ILE MD 4.000 . 6.500 3.590 3.272 4.027 . 0 0 "[ . 1 . 2 . 3]" 1 221 1 17 TYR QD 1 50 PHE QB 4.000 . 5.000 2.777 2.569 3.181 . 0 0 "[ . 1 . 2 . 3]" 1 222 1 17 TYR HA 1 60 ILE MD 4.000 . 6.500 4.714 4.456 5.019 . 0 0 "[ . 1 . 2 . 3]" 1 223 1 17 TYR HA 1 60 ILE MG 4.000 . 6.500 4.116 3.828 4.465 . 0 0 "[ . 1 . 2 . 3]" 1 224 1 17 TYR QD 1 19 ILE QG 4.000 . 6.000 3.026 2.764 3.509 . 0 0 "[ . 1 . 2 . 3]" 1 225 1 17 TYR H 1 51 THR H 4.000 . 5.000 4.014 3.910 4.173 . 0 0 "[ . 1 . 2 . 3]" 1 226 1 17 TYR QD 1 62 ILE MD 4.000 . 6.500 3.319 2.943 3.761 . 0 0 "[ . 1 . 2 . 3]" 1 227 1 18 ARG HA 1 18 ARG QD 4.000 . 6.000 3.668 2.153 4.207 . 0 0 "[ . 1 . 2 . 3]" 1 228 1 18 ARG H 1 18 ARG QB 3.000 . 4.100 2.663 2.585 2.698 . 0 0 "[ . 1 . 2 . 3]" 1 229 1 18 ARG H 1 58 ALA MB 3.000 . 5.000 2.686 2.552 2.914 . 0 0 "[ . 1 . 2 . 3]" 1 230 1 18 ARG QB 1 20 VAL MG2 4.000 . 7.500 4.092 3.750 4.404 . 0 0 "[ . 1 . 2 . 3]" 1 231 1 18 ARG QG 1 20 VAL MG1 4.000 . 7.500 5.266 4.973 5.463 . 0 0 "[ . 1 . 2 . 3]" 1 232 1 18 ARG QD 1 20 VAL MG2 4.000 . 7.500 4.138 2.779 5.508 . 0 0 "[ . 1 . 2 . 3]" 1 233 1 18 ARG QB 1 61 MET HA 4.000 . 6.000 3.260 2.874 3.576 . 0 0 "[ . 1 . 2 . 3]" 1 234 1 18 ARG QB 1 61 MET ME 3.000 . 5.800 3.914 3.653 4.039 . 0 0 "[ . 1 . 2 . 3]" 1 235 1 18 ARG HA 1 53 LEU MD1 4.000 . 6.500 5.193 5.015 5.305 . 0 0 "[ . 1 . 2 . 3]" 1 236 1 18 ARG QG 1 55 ASP HA 4.000 . 6.000 4.146 3.225 4.967 . 0 0 "[ . 1 . 2 . 3]" 1 237 1 18 ARG HA 1 58 ALA MB 4.000 . 6.500 3.809 3.569 4.085 . 0 0 "[ . 1 . 2 . 3]" 1 238 1 18 ARG QD 1 61 MET ME 4.000 . 7.500 4.367 3.731 5.637 . 0 0 "[ . 1 . 2 . 3]" 1 239 1 18 ARG QD 1 58 ALA MB 4.000 . 7.500 3.775 3.525 4.513 . 0 0 "[ . 1 . 2 . 3]" 1 240 1 18 ARG QB 1 19 ILE H 4.000 . 6.000 3.735 3.657 3.814 . 0 0 "[ . 1 . 2 . 3]" 1 241 1 18 ARG QG 1 19 ILE H 4.000 . 6.000 2.652 2.399 3.283 . 0 0 "[ . 1 . 2 . 3]" 1 242 1 18 ARG QB 1 58 ALA MB 4.000 . 7.500 2.175 2.073 2.398 . 0 0 "[ . 1 . 2 . 3]" 1 243 1 18 ARG H 1 61 MET HB3 4.000 . 5.000 4.181 3.941 4.444 . 0 0 "[ . 1 . 2 . 3]" 1 244 1 19 ILE H 1 19 ILE HB 3.000 . 3.500 2.498 2.436 2.594 . 0 0 "[ . 1 . 2 . 3]" 1 245 1 19 ILE H 1 19 ILE MG 4.000 . 6.500 3.796 3.776 3.818 . 0 0 "[ . 1 . 2 . 3]" 1 246 1 19 ILE MG 1 20 VAL H 4.000 . 6.500 2.960 2.880 3.117 . 0 0 "[ . 1 . 2 . 3]" 1 247 1 19 ILE MG 1 21 ASN H 4.000 . 6.500 2.420 2.256 2.618 . 0 0 "[ . 1 . 2 . 3]" 1 248 1 19 ILE HB 1 20 VAL H 4.000 . 5.000 4.331 4.267 4.396 . 0 0 "[ . 1 . 2 . 3]" 1 249 1 19 ILE MG 1 31 VAL QG 3.000 . 6.300 3.103 2.758 3.382 . 0 0 "[ . 1 . 2 . 3]" 1 250 1 19 ILE HA 1 62 ILE HB 4.000 . 5.000 2.581 2.337 2.816 . 0 0 "[ . 1 . 2 . 3]" 1 251 1 19 ILE HA 1 62 ILE MG 4.000 . 6.500 3.892 3.538 4.094 . 0 0 "[ . 1 . 2 . 3]" 1 252 1 19 ILE QG 1 62 ILE MD 4.000 . 7.500 2.916 2.464 3.972 . 0 0 "[ . 1 . 2 . 3]" 1 253 1 19 ILE MG 1 22 TYR HA 4.000 . 6.500 3.489 3.276 3.764 . 0 0 "[ . 1 . 2 . 3]" 1 254 1 19 ILE QG 1 52 ARG QD 4.000 . 7.000 4.368 3.527 5.337 . 0 0 "[ . 1 . 2 . 3]" 1 255 1 19 ILE QG 1 32 GLU HA 4.000 . 6.000 4.908 3.980 5.265 . 0 0 "[ . 1 . 2 . 3]" 1 256 1 19 ILE MD 1 35 PHE HE2 4.000 . 6.500 3.388 3.093 3.930 . 0 0 "[ . 1 . 2 . 3]" 1 257 1 19 ILE QG 1 35 PHE HE2 4.000 . 6.000 3.829 3.499 4.158 . 0 0 "[ . 1 . 2 . 3]" 1 258 1 19 ILE MG 1 35 PHE HE2 3.000 . 4.800 3.334 3.049 3.628 . 0 0 "[ . 1 . 2 . 3]" 1 259 1 19 ILE MG 1 35 PHE HD2 4.000 . 6.500 4.103 3.817 4.363 . 0 0 "[ . 1 . 2 . 3]" 1 260 1 19 ILE MD 1 35 PHE HD2 3.000 . 4.800 2.704 2.392 3.247 . 0 0 "[ . 1 . 2 . 3]" 1 261 1 19 ILE QG 1 32 GLU QG 4.000 . 7.000 4.687 3.579 5.483 . 0 0 "[ . 1 . 2 . 3]" 1 262 1 19 ILE QG 1 52 ARG QG 4.000 . 7.000 4.106 3.387 5.471 . 0 0 "[ . 1 . 2 . 3]" 1 263 1 19 ILE MG 1 22 TYR QD 4.000 . 6.500 3.073 2.703 3.272 . 0 0 "[ . 1 . 2 . 3]" 1 264 1 19 ILE HA 1 20 VAL MG2 4.000 . 6.500 3.917 3.845 3.976 . 0 0 "[ . 1 . 2 . 3]" 1 265 1 19 ILE QG 1 35 PHE HD2 3.000 . 4.300 3.635 3.329 3.794 . 0 0 "[ . 1 . 2 . 3]" 1 266 1 19 ILE QG 1 22 TYR QE 4.000 . 6.000 4.088 2.844 4.497 . 0 0 "[ . 1 . 2 . 3]" 1 267 1 19 ILE QG 1 35 PHE QB 4.000 . 7.000 4.196 3.937 4.380 . 0 0 "[ . 1 . 2 . 3]" 1 268 1 19 ILE QG 1 62 ILE MG 4.000 . 7.500 3.899 3.322 4.951 . 0 0 "[ . 1 . 2 . 3]" 1 269 1 19 ILE MG 1 32 GLU HA 4.000 . 6.500 5.025 4.722 5.217 . 0 0 "[ . 1 . 2 . 3]" 1 270 1 19 ILE MG 1 21 ASN HA 4.000 . 6.500 3.356 3.211 3.506 . 0 0 "[ . 1 . 2 . 3]" 1 271 1 19 ILE MG 1 22 TYR HB2 4.000 . 6.500 5.050 4.923 5.241 . 0 0 "[ . 1 . 2 . 3]" 1 272 1 19 ILE MG 1 31 VAL HB 4.000 . 6.500 4.853 4.495 5.105 . 0 0 "[ . 1 . 2 . 3]" 1 273 1 19 ILE QG 1 31 VAL QG 4.000 . 7.500 4.159 3.842 4.436 . 0 0 "[ . 1 . 2 . 3]" 1 274 1 19 ILE MG 1 22 TYR QE 4.000 . 6.500 2.784 2.442 3.077 . 0 0 "[ . 1 . 2 . 3]" 1 275 1 19 ILE MG 1 62 ILE HB 4.000 . 6.500 3.253 3.006 3.573 . 0 0 "[ . 1 . 2 . 3]" 1 276 1 20 VAL HA 1 20 VAL MG1 2.500 . 3.800 2.406 2.360 2.434 . 0 0 "[ . 1 . 2 . 3]" 1 277 1 20 VAL HA 1 20 VAL MG2 2.500 . 3.800 2.264 2.229 2.330 . 0 0 "[ . 1 . 2 . 3]" 1 278 1 20 VAL H 1 20 VAL MG2 2.500 . 4.400 2.318 2.205 2.375 . 0 0 "[ . 1 . 2 . 3]" 1 279 1 20 VAL H 1 20 VAL HB 2.500 . 2.900 2.409 2.376 2.478 . 0 0 "[ . 1 . 2 . 3]" 1 280 1 20 VAL H 1 63 SER QB 4.000 . 6.000 3.702 3.516 3.974 . 0 0 "[ . 1 . 2 . 3]" 1 281 1 20 VAL H 1 62 ILE MG 4.000 . 6.500 4.188 3.788 4.413 . 0 0 "[ . 1 . 2 . 3]" 1 282 1 20 VAL HB 1 21 ASN H 4.000 . 5.000 2.684 2.631 2.749 . 0 0 "[ . 1 . 2 . 3]" 1 283 1 20 VAL MG2 1 21 ASN H 3.000 . 5.000 3.973 3.885 4.034 . 0 0 "[ . 1 . 2 . 3]" 1 284 1 20 VAL MG1 1 21 ASN H 4.000 . 6.500 3.329 3.273 3.405 . 0 0 "[ . 1 . 2 . 3]" 1 285 1 20 VAL MG2 1 62 ILE H 3.000 . 5.000 3.451 3.100 3.777 . 0 0 "[ . 1 . 2 . 3]" 1 286 1 20 VAL MG1 1 63 SER HA 4.000 . 6.500 3.753 3.556 3.966 . 0 0 "[ . 1 . 2 . 3]" 1 287 1 20 VAL MG2 1 63 SER HA 4.000 . 6.500 3.690 3.459 3.947 . 0 0 "[ . 1 . 2 . 3]" 1 288 1 20 VAL MG1 1 63 SER QB 4.000 . 7.500 2.661 2.374 2.880 . 0 0 "[ . 1 . 2 . 3]" 1 289 1 20 VAL MG2 1 63 SER QB 4.000 . 7.500 2.226 2.064 2.438 . 0 0 "[ . 1 . 2 . 3]" 1 290 1 20 VAL MG2 1 61 MET HA 4.000 . 6.500 4.092 3.929 4.258 . 0 0 "[ . 1 . 2 . 3]" 1 291 1 20 VAL HB 1 63 SER QB 4.000 . 6.000 2.220 2.082 2.530 . 0 0 "[ . 1 . 2 . 3]" 1 292 1 20 VAL HA 1 61 MET ME 4.000 . 6.500 5.121 4.589 5.375 . 0 0 "[ . 1 . 2 . 3]" 1 293 1 20 VAL MG2 1 61 MET ME 3.000 . 6.300 2.671 2.149 3.016 . 0 0 "[ . 1 . 2 . 3]" 1 294 1 20 VAL MG2 1 61 MET HB3 4.000 . 6.500 4.028 3.745 4.386 . 0 0 "[ . 1 . 2 . 3]" 1 295 1 20 VAL MG2 1 61 MET HB2 4.000 . 6.500 2.677 2.477 2.951 . 0 0 "[ . 1 . 2 . 3]" 1 296 1 20 VAL MG1 1 21 ASN HB3 4.000 . 6.500 2.622 2.478 2.782 . 0 0 "[ . 1 . 2 . 3]" 1 297 1 20 VAL HB 1 63 SER HA 4.000 . 5.000 2.461 2.335 2.695 . 0 0 "[ . 1 . 2 . 3]" 1 298 1 20 VAL H 1 62 ILE HB 4.000 . 5.000 3.629 3.307 3.906 . 0 0 "[ . 1 . 2 . 3]" 1 299 1 21 ASN H 1 21 ASN HB3 4.000 . 5.000 3.430 3.343 3.487 . 0 0 "[ . 1 . 2 . 3]" 1 300 1 21 ASN H 1 63 SER HA 3.000 . 3.500 3.173 2.935 3.511 0.011 5 0 "[ . 1 . 2 . 3]" 1 301 1 21 ASN H 1 63 SER QB 4.000 . 6.000 4.173 3.911 4.596 . 0 0 "[ . 1 . 2 . 3]" 1 302 1 21 ASN HB3 1 22 TYR H 3.000 . 4.000 3.889 3.766 3.997 . 0 0 "[ . 1 . 2 . 3]" 1 303 1 21 ASN HB2 1 22 TYR H 3.000 . 4.000 2.628 2.417 2.765 . 0 0 "[ . 1 . 2 . 3]" 1 304 1 21 ASN HA 1 22 TYR QD 4.000 . 5.000 3.605 3.336 3.814 . 0 0 "[ . 1 . 2 . 3]" 1 305 1 21 ASN HA 1 22 TYR QE 4.000 . 5.000 4.292 4.000 4.674 . 0 0 "[ . 1 . 2 . 3]" 1 306 1 21 ASN HB2 1 22 TYR QD 4.000 . 5.000 4.688 4.404 4.924 . 0 0 "[ . 1 . 2 . 3]" 1 307 1 21 ASN H 1 64 PHE QD 4.000 . 5.000 3.921 3.677 4.155 . 0 0 "[ . 1 . 2 . 3]" 1 308 1 22 TYR HA 1 22 TYR QE 4.000 . 5.000 4.694 4.590 4.870 . 0 0 "[ . 1 . 2 . 3]" 1 309 1 22 TYR HA 1 22 TYR QD 4.000 . 5.000 2.848 2.708 2.981 . 0 0 "[ . 1 . 2 . 3]" 1 310 1 22 TYR HB3 1 22 TYR QD 3.000 . 3.300 2.459 2.404 2.511 . 0 0 "[ . 1 . 2 . 3]" 1 311 1 22 TYR HB2 1 22 TYR QD 3.000 . 3.300 2.378 2.331 2.421 . 0 0 "[ . 1 . 2 . 3]" 1 312 1 22 TYR H 1 22 TYR QD 3.000 . 3.500 2.411 2.203 2.581 . 0 0 "[ . 1 . 2 . 3]" 1 313 1 22 TYR QD 1 31 VAL H 4.000 . 5.000 4.626 4.509 4.727 . 0 0 "[ . 1 . 2 . 3]" 1 314 1 22 TYR QD 1 32 GLU H 4.000 . 5.000 4.095 3.825 4.380 . 0 0 "[ . 1 . 2 . 3]" 1 315 1 22 TYR QE 1 32 GLU H 4.000 . 5.000 4.209 4.034 4.628 . 0 0 "[ . 1 . 2 . 3]" 1 316 1 22 TYR QD 1 28 HIS HA 4.000 . 5.000 3.072 2.427 3.464 . 0 0 "[ . 1 . 2 . 3]" 1 317 1 22 TYR QD 1 31 VAL QG 3.000 . 4.800 2.166 2.069 2.405 . 0 0 "[ . 1 . 2 . 3]" 1 318 1 22 TYR QE 1 31 VAL QG 3.000 . 4.800 3.261 3.088 3.455 . 0 0 "[ . 1 . 2 . 3]" 1 319 1 22 TYR HA 1 31 VAL QG 4.000 . 6.500 2.702 2.387 3.014 . 0 0 "[ . 1 . 2 . 3]" 1 320 1 22 TYR HB3 1 31 VAL QG 4.000 . 6.500 2.528 2.243 2.865 . 0 0 "[ . 1 . 2 . 3]" 1 321 1 22 TYR QE 1 32 GLU QG 4.000 . 6.000 2.310 2.124 2.707 . 0 0 "[ . 1 . 2 . 3]" 1 322 1 22 TYR QE 1 31 VAL HB 4.000 . 5.000 3.949 3.667 4.260 . 0 0 "[ . 1 . 2 . 3]" 1 323 1 22 TYR QD 1 31 VAL HB 4.000 . 5.000 2.341 2.281 2.441 . 0 0 "[ . 1 . 2 . 3]" 1 324 1 22 TYR QE 1 28 HIS QB 4.000 . 6.000 3.679 2.842 4.234 . 0 0 "[ . 1 . 2 . 3]" 1 325 1 22 TYR HB3 1 28 HIS HD2 4.000 . 5.000 3.706 2.343 4.903 . 0 0 "[ . 1 . 2 . 3]" 1 326 1 22 TYR HA 1 23 THR MG 4.000 . 6.500 3.468 3.184 3.654 . 0 0 "[ . 1 . 2 . 3]" 1 327 1 22 TYR HB2 1 23 THR H 4.000 . 5.000 3.691 2.632 4.414 . 0 0 "[ . 1 . 2 . 3]" 1 328 1 22 TYR HB3 1 28 HIS HA 4.000 . 5.000 2.749 2.328 3.311 . 0 0 "[ . 1 . 2 . 3]" 1 329 1 22 TYR HB2 1 28 HIS HA 4.000 . 5.000 3.654 3.043 4.139 . 0 0 "[ . 1 . 2 . 3]" 1 330 1 22 TYR HA 1 64 PHE QD 4.000 . 5.000 4.076 3.451 4.792 . 0 0 "[ . 1 . 2 . 3]" 1 331 1 23 THR HA 1 24 PRO QG 4.000 . 6.000 4.004 3.973 4.072 . 0 0 "[ . 1 . 2 . 3]" 1 332 1 23 THR HA 1 24 PRO HD3 4.000 . 6.000 2.293 2.198 2.351 . 0 0 "[ . 1 . 2 . 3]" 1 333 1 23 THR HA 1 24 PRO HD2 4.000 . 6.000 2.378 2.283 2.521 . 0 0 "[ . 1 . 2 . 3]" 1 334 1 23 THR HB 1 24 PRO QD 4.000 . 6.000 3.319 3.000 3.774 . 0 0 "[ . 1 . 2 . 3]" 1 335 1 23 THR MG 1 104 TRP HD1 4.000 . 6.500 3.134 2.215 4.014 . 0 0 "[ . 1 . 2 . 3]" 1 336 1 23 THR MG 1 64 PHE QD 4.000 . 6.500 3.741 3.003 4.391 . 0 0 "[ . 1 . 2 . 3]" 1 337 1 23 THR MG 1 24 PRO HA 4.000 . 6.500 4.760 4.585 4.983 . 0 0 "[ . 1 . 2 . 3]" 1 338 1 23 THR MG 1 25 ASP HA 4.000 . 6.500 4.719 4.379 5.407 . 0 0 "[ . 1 . 2 . 3]" 1 339 1 23 THR MG 1 104 TRP HB3 4.000 . 6.500 3.627 3.229 4.131 . 0 0 "[ . 1 . 2 . 3]" 1 340 1 23 THR MG 1 25 ASP HB3 4.000 . 6.500 3.845 3.562 4.701 . 0 0 "[ . 1 . 2 . 3]" 1 341 1 23 THR MG 1 25 ASP HB2 4.000 . 6.500 2.456 2.140 3.449 . 0 0 "[ . 1 . 2 . 3]" 1 342 1 23 THR MG 1 26 MET HB3 4.000 . 6.500 4.705 3.558 5.250 . 0 0 "[ . 1 . 2 . 3]" 1 343 1 23 THR MG 1 26 MET HB2 4.000 . 6.500 3.240 2.128 3.796 . 0 0 "[ . 1 . 2 . 3]" 1 344 1 23 THR MG 1 31 VAL HB 4.000 . 6.500 4.824 4.228 5.317 . 0 0 "[ . 1 . 2 . 3]" 1 345 1 23 THR MG 1 31 VAL HA 4.000 . 6.500 5.191 4.644 5.586 . 0 0 "[ . 1 . 2 . 3]" 1 346 1 23 THR MG 1 26 MET QG 4.000 . 7.500 3.820 2.267 4.218 . 0 0 "[ . 1 . 2 . 3]" 1 347 1 23 THR MG 1 24 PRO QG 4.000 . 7.500 5.148 4.826 5.604 . 0 0 "[ . 1 . 2 . 3]" 1 348 1 23 THR MG 1 26 MET ME 4.000 . 8.000 3.105 2.360 4.471 . 0 0 "[ . 1 . 2 . 3]" 1 349 1 23 THR MG 1 31 VAL QG 3.000 . 6.300 2.521 2.054 2.890 . 0 0 "[ . 1 . 2 . 3]" 1 350 1 23 THR MG 1 113 LEU MD1 4.000 . 8.000 4.286 4.020 4.525 . 0 0 "[ . 1 . 2 . 3]" 1 351 1 23 THR MG 1 113 LEU MD2 4.000 . 8.000 3.743 3.248 4.161 . 0 0 "[ . 1 . 2 . 3]" 1 352 1 23 THR MG 1 25 ASP H 3.000 . 5.000 3.047 2.577 3.921 . 0 0 "[ . 1 . 2 . 3]" 1 353 1 23 THR MG 1 26 MET H 3.000 . 5.000 2.654 2.382 3.452 . 0 0 "[ . 1 . 2 . 3]" 1 354 1 24 PRO QG 1 25 ASP H 4.000 . 6.000 3.338 2.649 4.243 . 0 0 "[ . 1 . 2 . 3]" 1 355 1 24 PRO QB 1 25 ASP H 4.000 . 6.000 3.375 2.971 3.536 . 0 0 "[ . 1 . 2 . 3]" 1 356 1 24 PRO QD 1 25 ASP H 4.000 . 6.000 2.803 2.447 3.278 . 0 0 "[ . 1 . 2 . 3]" 1 357 1 25 ASP H 1 25 ASP HB2 2.500 . 2.900 2.439 2.358 2.566 . 0 0 "[ . 1 . 2 . 3]" 1 358 1 25 ASP H 1 25 ASP HB3 4.000 . 5.000 3.612 3.589 3.625 . 0 0 "[ . 1 . 2 . 3]" 1 359 1 25 ASP HB3 1 26 MET H 4.000 . 5.000 3.680 3.355 4.016 . 0 0 "[ . 1 . 2 . 3]" 1 360 1 25 ASP HB2 1 26 MET H 4.000 . 5.000 2.788 2.427 3.207 . 0 0 "[ . 1 . 2 . 3]" 1 361 1 25 ASP H 1 104 TRP HB2 4.000 . 5.000 5.006 4.819 5.109 0.109 20 0 "[ . 1 . 2 . 3]" 1 362 1 25 ASP HB3 1 104 TRP H 4.000 . 5.000 2.897 2.368 3.582 . 0 0 "[ . 1 . 2 . 3]" 1 363 1 25 ASP HB3 1 26 MET ME 4.000 . 6.500 3.977 3.418 5.430 . 0 0 "[ . 1 . 2 . 3]" 1 364 1 25 ASP HB2 1 26 MET ME 4.000 . 6.500 3.714 3.290 5.561 . 0 0 "[ . 1 . 2 . 3]" 1 365 1 25 ASP HB2 1 103 THR HA 4.000 . 5.000 5.006 4.555 5.106 0.106 12 0 "[ . 1 . 2 . 3]" 1 366 1 25 ASP HB3 1 103 THR MG 4.000 . 6.500 3.726 3.393 3.877 . 0 0 "[ . 1 . 2 . 3]" 1 367 1 25 ASP HB2 1 103 THR MG 4.000 . 6.500 5.099 4.391 5.283 . 0 0 "[ . 1 . 2 . 3]" 1 368 1 26 MET HA 1 26 MET HG3 3.000 . 3.900 3.027 2.943 3.269 . 0 0 "[ . 1 . 2 . 3]" 1 369 1 26 MET HA 1 26 MET HG2 3.000 . 3.900 2.391 2.338 2.524 . 0 0 "[ . 1 . 2 . 3]" 1 370 1 26 MET ME 1 26 MET QG 3.000 . 5.800 2.237 2.193 2.263 . 0 0 "[ . 1 . 2 . 3]" 1 371 1 26 MET HB3 1 26 MET ME 4.000 . 6.500 2.937 2.138 3.106 . 0 0 "[ . 1 . 2 . 3]" 1 372 1 26 MET HB2 1 26 MET ME 4.000 . 6.500 2.229 2.108 3.395 . 0 0 "[ . 1 . 2 . 3]" 1 373 1 26 MET HA 1 26 MET ME 4.000 . 6.500 4.289 3.446 4.406 . 0 0 "[ . 1 . 2 . 3]" 1 374 1 26 MET H 1 26 MET HB2 2.500 . 2.900 2.719 2.572 2.814 . 0 0 "[ . 1 . 2 . 3]" 1 375 1 26 MET H 1 26 MET HB3 4.000 . 5.000 3.841 3.659 3.888 . 0 0 "[ . 1 . 2 . 3]" 1 376 1 26 MET H 1 26 MET HG3 3.000 . 4.500 3.238 2.195 3.378 . 0 0 "[ . 1 . 2 . 3]" 1 377 1 26 MET H 1 26 MET HG2 3.000 . 4.500 4.147 3.240 4.253 . 0 0 "[ . 1 . 2 . 3]" 1 378 1 26 MET H 1 104 TRP HB2 4.000 . 5.000 4.837 4.013 5.040 0.040 23 0 "[ . 1 . 2 . 3]" 1 379 1 26 MET H 1 31 VAL QG 4.000 . 6.500 3.762 3.513 3.973 . 0 0 "[ . 1 . 2 . 3]" 1 380 1 26 MET QG 1 27 THR H 4.000 . 6.000 3.799 3.741 4.225 . 0 0 "[ . 1 . 2 . 3]" 1 381 1 26 MET HB2 1 27 THR H 4.000 . 5.000 3.735 3.583 3.881 . 0 0 "[ . 1 . 2 . 3]" 1 382 1 26 MET HB2 1 31 VAL H 4.000 . 5.000 4.358 4.194 4.584 . 0 0 "[ . 1 . 2 . 3]" 1 383 1 26 MET ME 1 104 TRP HE3 4.000 . 6.500 4.465 4.129 5.176 . 0 0 "[ . 1 . 2 . 3]" 1 384 1 26 MET ME 1 104 TRP HA 4.000 . 6.500 4.108 3.795 4.936 . 0 0 "[ . 1 . 2 . 3]" 1 385 1 26 MET ME 1 106 SER HA 4.000 . 6.500 4.257 3.021 4.898 . 0 0 "[ . 1 . 2 . 3]" 1 386 1 26 MET ME 1 105 THR HA 4.000 . 6.500 3.188 2.535 3.768 . 0 0 "[ . 1 . 2 . 3]" 1 387 1 26 MET ME 1 113 LEU HA 4.000 . 6.500 4.815 4.503 5.214 . 0 0 "[ . 1 . 2 . 3]" 1 388 1 26 MET ME 1 106 SER QB 3.000 . 5.800 3.989 2.419 4.368 . 0 0 "[ . 1 . 2 . 3]" 1 389 1 26 MET ME 1 31 VAL HA 3.000 . 4.800 3.153 2.654 3.614 . 0 0 "[ . 1 . 2 . 3]" 1 390 1 26 MET ME 1 104 TRP HB3 4.000 . 6.500 2.617 2.176 3.923 . 0 0 "[ . 1 . 2 . 3]" 1 391 1 26 MET ME 1 104 TRP HB2 4.000 . 6.500 2.881 2.380 4.540 . 0 0 "[ . 1 . 2 . 3]" 1 392 1 26 MET ME 1 30 GLU HB3 4.000 . 6.500 3.790 2.732 4.143 . 0 0 "[ . 1 . 2 . 3]" 1 393 1 26 MET ME 1 30 GLU HB2 4.000 . 6.500 4.033 3.371 4.349 . 0 0 "[ . 1 . 2 . 3]" 1 394 1 26 MET ME 1 31 VAL QG 3.000 . 6.300 2.241 2.028 2.892 . 0 0 "[ . 1 . 2 . 3]" 1 395 1 26 MET ME 1 113 LEU MD2 3.000 . 6.300 2.407 2.075 2.914 . 0 0 "[ . 1 . 2 . 3]" 1 396 1 26 MET ME 1 113 LEU MD1 4.000 . 8.000 3.789 3.338 4.408 . 0 0 "[ . 1 . 2 . 3]" 1 397 1 26 MET HG3 1 105 THR HA 4.000 . 6.000 3.207 2.824 4.149 . 0 0 "[ . 1 . 2 . 3]" 1 398 1 26 MET HG2 1 105 THR HA 4.000 . 6.000 3.234 2.589 3.862 . 0 0 "[ . 1 . 2 . 3]" 1 399 1 26 MET HA 1 31 VAL QG 4.000 . 6.500 4.519 3.995 4.940 . 0 0 "[ . 1 . 2 . 3]" 1 400 1 26 MET QG 1 31 VAL QG 4.000 . 7.500 3.907 3.367 4.232 . 0 0 "[ . 1 . 2 . 3]" 1 401 1 26 MET HB2 1 31 VAL QG 3.000 . 4.800 2.353 2.031 2.680 . 0 0 "[ . 1 . 2 . 3]" 1 402 1 26 MET HB3 1 31 VAL QG 4.000 . 6.500 2.945 2.212 3.521 . 0 0 "[ . 1 . 2 . 3]" 1 403 1 26 MET ME 1 34 ALA MB 3.000 . 6.300 3.715 3.020 4.067 . 0 0 "[ . 1 . 2 . 3]" 1 404 1 26 MET ME 1 30 GLU QG 4.000 . 7.500 5.247 4.381 5.588 . 0 0 "[ . 1 . 2 . 3]" 1 405 1 26 MET ME 1 27 THR H 4.000 . 6.500 4.982 4.199 5.183 . 0 0 "[ . 1 . 2 . 3]" 1 406 1 26 MET ME 1 106 SER H 4.000 . 6.500 3.934 2.749 4.632 . 0 0 "[ . 1 . 2 . 3]" 1 407 1 26 MET HA 1 27 THR MG 4.000 . 6.500 3.581 3.489 3.699 . 0 0 "[ . 1 . 2 . 3]" 1 408 1 27 THR HA 1 27 THR MG 2.500 . 3.800 2.372 2.310 2.441 . 0 0 "[ . 1 . 2 . 3]" 1 409 1 27 THR H 1 27 THR MG 2.500 . 4.400 2.118 2.001 2.324 . 0 0 "[ . 1 . 2 . 3]" 1 410 1 27 THR H 1 31 VAL QG 4.000 . 6.500 4.202 3.781 4.595 . 0 0 "[ . 1 . 2 . 3]" 1 411 1 27 THR H 1 30 GLU HB3 4.000 . 5.000 4.365 4.058 4.799 . 0 0 "[ . 1 . 2 . 3]" 1 412 1 27 THR H 1 30 GLU HB2 3.000 . 3.300 2.967 2.658 3.306 0.006 14 0 "[ . 1 . 2 . 3]" 1 413 1 27 THR H 1 30 GLU QG 3.000 . 4.500 3.653 2.993 3.927 . 0 0 "[ . 1 . 2 . 3]" 1 414 1 27 THR MG 1 30 GLU H 4.000 . 6.500 4.350 4.125 4.627 . 0 0 "[ . 1 . 2 . 3]" 1 415 1 27 THR MG 1 29 SER QB 4.000 . 7.500 4.473 4.305 4.675 . 0 0 "[ . 1 . 2 . 3]" 1 416 1 27 THR MG 1 30 GLU HG3 4.000 . 7.500 3.924 3.570 6.052 . 0 0 "[ . 1 . 2 . 3]" 1 417 1 27 THR MG 1 30 GLU HG2 4.000 . 7.500 4.962 3.808 5.424 . 0 0 "[ . 1 . 2 . 3]" 1 418 1 27 THR H 1 30 GLU H 4.000 . 5.000 4.078 3.960 4.185 . 0 0 "[ . 1 . 2 . 3]" 1 419 1 28 HIS HA 1 28 HIS HD2 4.000 . 5.000 3.307 2.339 4.317 . 0 0 "[ . 1 . 2 . 3]" 1 420 1 28 HIS HB3 1 29 SER H 4.000 . 5.000 3.656 3.442 4.204 . 0 0 "[ . 1 . 2 . 3]" 1 421 1 28 HIS HB2 1 29 SER H 4.000 . 5.000 2.709 2.511 3.598 . 0 0 "[ . 1 . 2 . 3]" 1 422 1 28 HIS HA 1 32 GLU H 4.000 . 5.000 3.963 3.447 4.189 . 0 0 "[ . 1 . 2 . 3]" 1 423 1 28 HIS HA 1 31 VAL QG 4.000 . 6.500 3.203 3.021 3.385 . 0 0 "[ . 1 . 2 . 3]" 1 424 1 28 HIS QB 1 29 SER HA 4.000 . 6.000 3.901 3.846 4.162 . 0 0 "[ . 1 . 2 . 3]" 1 425 1 28 HIS QB 1 32 GLU HB2 4.000 . 6.000 4.959 4.514 5.257 . 0 0 "[ . 1 . 2 . 3]" 1 426 1 29 SER H 1 29 SER QB 3.000 . 4.100 2.431 2.388 2.498 . 0 0 "[ . 1 . 2 . 3]" 1 427 1 29 SER QB 1 30 GLU H 3.000 . 4.500 2.568 2.456 2.610 . 0 0 "[ . 1 . 2 . 3]" 1 428 1 29 SER HA 1 32 GLU QG 4.000 . 6.000 3.669 2.908 4.077 . 0 0 "[ . 1 . 2 . 3]" 1 429 1 29 SER QB 1 30 GLU QG 4.000 . 7.000 3.281 3.166 4.300 . 0 0 "[ . 1 . 2 . 3]" 1 430 1 30 GLU HA 1 30 GLU HG3 3.000 . 3.900 2.970 2.473 3.681 . 0 0 "[ . 1 . 2 . 3]" 1 431 1 30 GLU HA 1 30 GLU HG2 3.000 . 3.900 2.501 2.399 3.636 . 0 0 "[ . 1 . 2 . 3]" 1 432 1 30 GLU H 1 30 GLU HB2 3.000 . 3.500 2.394 2.288 2.422 . 0 0 "[ . 1 . 2 . 3]" 1 433 1 30 GLU H 1 30 GLU HB3 4.000 . 5.000 3.605 3.575 3.622 . 0 0 "[ . 1 . 2 . 3]" 1 434 1 30 GLU H 1 30 GLU QG 2.500 . 3.900 2.353 2.258 3.419 . 0 0 "[ . 1 . 2 . 3]" 1 435 1 30 GLU H 1 31 VAL QG 4.000 . 6.500 4.152 4.071 4.291 . 0 0 "[ . 1 . 2 . 3]" 1 436 1 30 GLU QG 1 31 VAL H 4.000 . 6.000 4.149 4.101 4.533 . 0 0 "[ . 1 . 2 . 3]" 1 437 1 30 GLU HB3 1 31 VAL H 4.000 . 5.000 3.548 3.365 3.590 . 0 0 "[ . 1 . 2 . 3]" 1 438 1 30 GLU HB2 1 31 VAL H 3.000 . 3.500 2.644 2.507 2.734 . 0 0 "[ . 1 . 2 . 3]" 1 439 1 30 GLU HB3 1 31 VAL QG 4.000 . 6.500 3.914 3.762 3.989 . 0 0 "[ . 1 . 2 . 3]" 1 440 1 30 GLU HA 1 33 LYS QD 4.000 . 6.000 2.692 2.088 3.877 . 0 0 "[ . 1 . 2 . 3]" 1 441 1 31 VAL HA 1 31 VAL QG 2.500 . 3.800 2.102 2.061 2.121 . 0 0 "[ . 1 . 2 . 3]" 1 442 1 31 VAL H 1 31 VAL HB 2.500 . 2.900 2.402 2.372 2.471 . 0 0 "[ . 1 . 2 . 3]" 1 443 1 31 VAL H 1 31 VAL QG 2.500 . 4.400 2.222 2.123 2.290 . 0 0 "[ . 1 . 2 . 3]" 1 444 1 31 VAL QG 1 32 GLU H 4.000 . 6.500 3.133 3.066 3.177 . 0 0 "[ . 1 . 2 . 3]" 1 445 1 31 VAL QG 1 35 PHE H 4.000 . 6.500 3.979 3.876 4.091 . 0 0 "[ . 1 . 2 . 3]" 1 446 1 31 VAL HB 1 32 GLU H 2.500 . 2.900 2.617 2.536 2.684 . 0 0 "[ . 1 . 2 . 3]" 1 447 1 31 VAL HB 1 113 LEU MD2 4.000 . 6.500 4.759 4.461 4.953 . 0 0 "[ . 1 . 2 . 3]" 1 448 1 31 VAL HA 1 113 LEU MD2 3.000 . 4.800 2.877 2.713 2.981 . 0 0 "[ . 1 . 2 . 3]" 1 449 1 31 VAL HA 1 113 LEU MD1 4.000 . 6.500 5.391 5.259 5.469 . 0 0 "[ . 1 . 2 . 3]" 1 450 1 31 VAL QG 1 113 LEU MD2 3.000 . 6.300 2.364 2.068 2.591 . 0 0 "[ . 1 . 2 . 3]" 1 451 1 31 VAL QG 1 35 PHE HD2 4.000 . 6.500 2.625 2.469 2.705 . 0 0 "[ . 1 . 2 . 3]" 1 452 1 31 VAL QG 1 35 PHE HE2 4.000 . 4.800 2.062 2.021 2.162 . 0 0 "[ . 1 . 2 . 3]" 1 453 1 31 VAL QG 1 35 PHE HZ 4.000 . 6.500 3.621 3.480 3.848 . 0 0 "[ . 1 . 2 . 3]" 1 454 1 31 VAL QG 1 32 GLU HA 4.000 . 6.500 3.284 3.215 3.362 . 0 0 "[ . 1 . 2 . 3]" 1 455 1 31 VAL QG 1 32 GLU QG 4.000 . 7.500 3.468 3.331 3.680 . 0 0 "[ . 1 . 2 . 3]" 1 456 1 32 GLU H 1 32 GLU HB3 4.000 . 5.000 3.608 3.576 3.629 . 0 0 "[ . 1 . 2 . 3]" 1 457 1 32 GLU H 1 32 GLU HB2 3.000 . 3.500 2.419 2.335 2.455 . 0 0 "[ . 1 . 2 . 3]" 1 458 1 32 GLU H 1 32 GLU QG 3.000 . 4.500 2.264 2.209 2.354 . 0 0 "[ . 1 . 2 . 3]" 1 459 1 32 GLU HB3 1 33 LYS H 3.000 . 3.500 3.341 3.057 3.426 . 0 0 "[ . 1 . 2 . 3]" 1 460 1 32 GLU HB2 1 33 LYS H 4.000 . 5.000 2.470 2.260 2.583 . 0 0 "[ . 1 . 2 . 3]" 1 461 1 32 GLU HA 1 35 PHE HD2 4.000 . 5.000 3.010 2.744 3.445 . 0 0 "[ . 1 . 2 . 3]" 1 462 1 32 GLU HB2 1 33 LYS QE 4.000 . 6.000 5.043 4.695 5.689 . 0 0 "[ . 1 . 2 . 3]" 1 463 1 33 LYS HA 1 33 LYS QD 4.000 . 6.000 4.421 3.896 4.525 . 0 0 "[ . 1 . 2 . 3]" 1 464 1 33 LYS HA 1 33 LYS QE 4.000 . 6.000 4.569 4.147 5.408 . 0 0 "[ . 1 . 2 . 3]" 1 465 1 33 LYS H 1 33 LYS QG 4.000 . 6.000 2.021 1.887 2.373 . 0 0 "[ . 1 . 2 . 3]" 1 466 1 33 LYS H 1 33 LYS QD 4.000 . 6.000 4.020 3.125 4.147 . 0 0 "[ . 1 . 2 . 3]" 1 467 1 33 LYS QB 1 34 ALA H 3.000 . 4.300 3.526 3.501 3.603 . 0 0 "[ . 1 . 2 . 3]" 1 468 1 33 LYS QG 1 34 ALA H 4.000 . 6.000 2.139 2.080 2.253 . 0 0 "[ . 1 . 2 . 3]" 1 469 1 33 LYS QD 1 34 ALA H 3.000 . 4.500 4.043 2.814 4.197 . 0 0 "[ . 1 . 2 . 3]" 1 470 1 33 LYS QD 1 34 ALA HA 4.000 . 6.000 4.684 2.742 5.312 . 0 0 "[ . 1 . 2 . 3]" 1 471 1 33 LYS QG 1 34 ALA HA 4.000 . 6.000 3.331 3.233 4.155 . 0 0 "[ . 1 . 2 . 3]" 1 472 1 34 ALA H 1 34 ALA MB 2.500 . 4.000 2.248 2.213 2.264 . 0 0 "[ . 1 . 2 . 3]" 1 473 1 34 ALA H 1 113 LEU MD2 4.000 . 6.500 4.554 4.273 4.827 . 0 0 "[ . 1 . 2 . 3]" 1 474 1 34 ALA MB 1 35 PHE H 2.500 . 4.400 2.330 2.285 2.378 . 0 0 "[ . 1 . 2 . 3]" 1 475 1 34 ALA MB 1 36 LYS H 4.000 . 6.500 4.423 4.382 4.473 . 0 0 "[ . 1 . 2 . 3]" 1 476 1 34 ALA MB 1 114 PHE H 3.000 . 5.000 3.819 3.653 3.945 . 0 0 "[ . 1 . 2 . 3]" 1 477 1 34 ALA HA 1 114 PHE HA 4.000 . 5.000 4.944 4.774 5.054 0.054 18 0 "[ . 1 . 2 . 3]" 1 478 1 34 ALA MB 1 114 PHE HA 3.000 . 4.800 3.619 3.516 3.783 . 0 0 "[ . 1 . 2 . 3]" 1 479 1 34 ALA HA 1 114 PHE HB2 4.000 . 5.000 3.955 3.730 4.189 . 0 0 "[ . 1 . 2 . 3]" 1 480 1 34 ALA MB 1 114 PHE HB3 4.000 . 6.500 4.836 4.573 5.152 . 0 0 "[ . 1 . 2 . 3]" 1 481 1 34 ALA MB 1 114 PHE HB2 4.000 . 6.500 3.421 3.100 3.863 . 0 0 "[ . 1 . 2 . 3]" 1 482 1 34 ALA MB 1 113 LEU HB3 4.000 . 6.500 3.150 2.869 3.330 . 0 0 "[ . 1 . 2 . 3]" 1 483 1 34 ALA MB 1 113 LEU HB2 4.000 . 6.500 4.351 4.007 4.477 . 0 0 "[ . 1 . 2 . 3]" 1 484 1 34 ALA MB 1 113 LEU HG 3.000 . 4.800 3.091 2.804 3.278 . 0 0 "[ . 1 . 2 . 3]" 1 485 1 34 ALA MB 1 113 LEU MD2 3.000 . 6.300 2.225 1.964 2.447 . 0 0 "[ . 1 . 2 . 3]" 1 486 1 34 ALA MB 1 113 LEU MD1 4.000 . 8.000 4.156 3.907 4.308 . 0 0 "[ . 1 . 2 . 3]" 1 487 1 34 ALA MB 1 117 ALA MB 4.000 . 8.000 3.934 3.778 4.098 . 0 0 "[ . 1 . 2 . 3]" 1 488 1 34 ALA MB 1 38 ALA MB 4.000 . 8.000 4.666 4.571 4.762 . 0 0 "[ . 1 . 2 . 3]" 1 489 1 34 ALA HA 1 37 LYS QG 4.000 . 6.000 3.695 3.422 3.998 . 0 0 "[ . 1 . 2 . 3]" 1 490 1 34 ALA HA 1 37 LYS QD 4.000 . 6.000 2.890 2.680 3.109 . 0 0 "[ . 1 . 2 . 3]" 1 491 1 34 ALA MB 1 114 PHE QD 4.000 . 6.500 3.767 3.474 4.331 . 0 0 "[ . 1 . 2 . 3]" 1 492 1 34 ALA MB 1 35 PHE HD1 4.000 . 6.500 4.776 4.688 4.858 . 0 0 "[ . 1 . 2 . 3]" 1 493 1 34 ALA MB 1 106 SER HA 4.000 . 6.500 4.902 4.370 5.188 . 0 0 "[ . 1 . 2 . 3]" 1 494 1 34 ALA MB 1 113 LEU HA 4.000 . 6.500 5.290 5.039 5.392 . 0 0 "[ . 1 . 2 . 3]" 1 495 1 34 ALA MB 1 35 PHE QB 4.000 . 7.500 4.131 4.081 4.181 . 0 0 "[ . 1 . 2 . 3]" 1 496 1 34 ALA MB 1 37 LYS HB2 4.000 . 6.500 4.526 4.427 4.653 . 0 0 "[ . 1 . 2 . 3]" 1 497 1 34 ALA MB 1 35 PHE HE1 4.000 . 6.500 5.226 5.138 5.339 . 0 0 "[ . 1 . 2 . 3]" 1 498 1 34 ALA HA 1 114 PHE QD 4.000 . 5.000 3.463 3.235 3.961 . 0 0 "[ . 1 . 2 . 3]" 1 499 1 35 PHE HA 1 35 PHE HD1 3.000 . 3.300 2.299 2.270 2.320 . 0 0 "[ . 1 . 2 . 3]" 1 500 1 35 PHE H 1 35 PHE HD2 3.000 . 3.500 3.009 2.943 3.094 . 0 0 "[ . 1 . 2 . 3]" 1 501 1 35 PHE H 1 113 LEU MD2 4.000 . 6.500 4.232 3.934 4.400 . 0 0 "[ . 1 . 2 . 3]" 1 502 1 35 PHE H 1 117 ALA MB 4.000 . 6.500 5.176 5.029 5.377 . 0 0 "[ . 1 . 2 . 3]" 1 503 1 35 PHE H 1 36 LYS QB 4.000 . 6.000 4.659 4.616 4.724 . 0 0 "[ . 1 . 2 . 3]" 1 504 1 35 PHE QB 1 36 LYS H 3.000 . 4.500 2.663 2.609 2.710 . 0 0 "[ . 1 . 2 . 3]" 1 505 1 35 PHE HD2 1 36 LYS H 4.000 . 5.000 4.667 4.580 4.768 . 0 0 "[ . 1 . 2 . 3]" 1 506 1 35 PHE HE1 1 113 LEU HG 4.000 . 5.000 4.452 4.190 4.813 . 0 0 "[ . 1 . 2 . 3]" 1 507 1 35 PHE HZ 1 113 LEU MD1 4.000 . 6.500 3.103 2.828 3.490 . 0 0 "[ . 1 . 2 . 3]" 1 508 1 35 PHE HZ 1 113 LEU MD2 4.000 . 6.500 3.199 2.970 3.547 . 0 0 "[ . 1 . 2 . 3]" 1 509 1 35 PHE HD1 1 113 LEU MD1 4.000 . 6.500 5.274 5.027 5.357 . 0 0 "[ . 1 . 2 . 3]" 1 510 1 35 PHE HD1 1 113 LEU MD2 4.000 . 6.500 4.940 4.641 5.111 . 0 0 "[ . 1 . 2 . 3]" 1 511 1 35 PHE HA 1 117 ALA MB 4.000 . 6.500 3.540 3.377 3.722 . 0 0 "[ . 1 . 2 . 3]" 1 512 1 35 PHE HD1 1 117 ALA MB 2.500 . 4.200 2.805 2.498 3.115 . 0 0 "[ . 1 . 2 . 3]" 1 513 1 35 PHE QB 1 117 ALA MB 4.000 . 7.500 4.704 4.489 4.913 . 0 0 "[ . 1 . 2 . 3]" 1 514 1 35 PHE QB 1 62 ILE MD 4.000 . 7.500 3.443 3.257 3.681 . 0 0 "[ . 1 . 2 . 3]" 1 515 1 35 PHE HD1 1 38 ALA MB 4.000 . 6.500 3.460 3.322 3.611 . 0 0 "[ . 1 . 2 . 3]" 1 516 1 35 PHE QB 1 38 ALA MB 4.000 . 7.500 3.883 3.782 4.009 . 0 0 "[ . 1 . 2 . 3]" 1 517 1 35 PHE HE1 1 117 ALA MB 4.000 . 6.500 2.715 2.372 3.044 . 0 0 "[ . 1 . 2 . 3]" 1 518 1 35 PHE HE1 1 62 ILE MG 4.000 . 6.500 2.878 2.389 3.297 . 0 0 "[ . 1 . 2 . 3]" 1 519 1 35 PHE HE2 1 62 ILE MG 4.000 . 6.500 3.576 3.247 3.891 . 0 0 "[ . 1 . 2 . 3]" 1 520 1 35 PHE HE2 1 62 ILE HB 4.000 . 5.000 4.911 4.715 5.057 0.057 29 0 "[ . 1 . 2 . 3]" 1 521 1 35 PHE HE1 1 113 LEU MD1 4.000 . 6.500 3.715 3.519 3.858 . 0 0 "[ . 1 . 2 . 3]" 1 522 1 35 PHE HE1 1 113 LEU MD2 4.000 . 6.500 4.134 3.964 4.315 . 0 0 "[ . 1 . 2 . 3]" 1 523 1 35 PHE HZ 1 62 ILE MG 4.000 . 6.500 2.358 2.264 2.559 . 0 0 "[ . 1 . 2 . 3]" 1 524 1 35 PHE HD1 1 121 PHE QE 4.000 . 5.000 2.595 2.341 3.145 . 0 0 "[ . 1 . 2 . 3]" 1 525 1 35 PHE HD2 1 62 ILE MG 4.000 . 6.500 4.872 4.568 5.176 . 0 0 "[ . 1 . 2 . 3]" 1 526 1 35 PHE HD1 1 121 PHE HZ 4.000 . 5.000 3.549 3.152 3.882 . 0 0 "[ . 1 . 2 . 3]" 1 527 1 35 PHE HD1 1 62 ILE MD 4.000 . 6.500 3.018 2.761 3.204 . 0 0 "[ . 1 . 2 . 3]" 1 528 1 35 PHE HE1 1 62 ILE MD 4.000 . 6.500 2.710 2.353 2.985 . 0 0 "[ . 1 . 2 . 3]" 1 529 1 35 PHE HZ 1 62 ILE MD 4.000 . 6.500 3.306 2.973 3.620 . 0 0 "[ . 1 . 2 . 3]" 1 530 1 36 LYS HA 1 36 LYS QE 4.000 . 6.000 4.484 3.979 4.884 . 0 0 "[ . 1 . 2 . 3]" 1 531 1 36 LYS HA 1 36 LYS HG3 4.000 . 5.600 3.021 2.826 3.732 . 0 0 "[ . 1 . 2 . 3]" 1 532 1 36 LYS HA 1 36 LYS HG2 4.000 . 5.600 2.447 2.320 2.743 . 0 0 "[ . 1 . 2 . 3]" 1 533 1 36 LYS HA 1 36 LYS QD 4.000 . 6.000 3.790 2.210 4.141 . 0 0 "[ . 1 . 2 . 3]" 1 534 1 36 LYS QB 1 36 LYS QE 4.000 . 7.000 3.313 2.153 3.656 . 0 0 "[ . 1 . 2 . 3]" 1 535 1 36 LYS H 1 36 LYS QB 2.500 . 3.500 2.411 2.394 2.443 . 0 0 "[ . 1 . 2 . 3]" 1 536 1 36 LYS H 1 36 LYS QG 4.000 . 6.000 2.247 2.171 2.325 . 0 0 "[ . 1 . 2 . 3]" 1 537 1 36 LYS H 1 36 LYS QD 4.000 . 6.000 3.834 3.600 4.328 . 0 0 "[ . 1 . 2 . 3]" 1 538 1 36 LYS QB 1 37 LYS H 4.000 . 6.000 2.561 2.484 2.641 . 0 0 "[ . 1 . 2 . 3]" 1 539 1 36 LYS QB 1 37 LYS HA 4.000 . 6.000 3.911 3.865 3.954 . 0 0 "[ . 1 . 2 . 3]" 1 540 1 36 LYS HA 1 39 PHE HD2 4.000 . 5.000 2.638 2.453 2.840 . 0 0 "[ . 1 . 2 . 3]" 1 541 1 36 LYS QB 1 38 ALA H 5.000 . 7.000 4.673 4.603 4.776 . 0 0 "[ . 1 . 2 . 3]" 1 542 1 37 LYS HA 1 37 LYS QD 4.000 . 6.000 3.989 3.950 4.163 . 0 0 "[ . 1 . 2 . 3]" 1 543 1 37 LYS HA 1 37 LYS HG3 3.000 . 3.900 2.943 2.790 2.991 . 0 0 "[ . 1 . 2 . 3]" 1 544 1 37 LYS HA 1 37 LYS HG2 3.000 . 3.900 2.442 2.411 2.506 . 0 0 "[ . 1 . 2 . 3]" 1 545 1 37 LYS HB2 1 37 LYS QE 4.000 . 6.000 3.887 2.971 4.202 . 0 0 "[ . 1 . 2 . 3]" 1 546 1 37 LYS HB3 1 37 LYS QE 4.000 . 6.000 3.772 2.198 4.205 . 0 0 "[ . 1 . 2 . 3]" 1 547 1 37 LYS HA 1 37 LYS QE 4.000 . 6.000 4.597 3.846 4.892 . 0 0 "[ . 1 . 2 . 3]" 1 548 1 37 LYS H 1 37 LYS HB3 4.000 . 5.000 3.619 3.607 3.634 . 0 0 "[ . 1 . 2 . 3]" 1 549 1 37 LYS H 1 37 LYS HB2 3.000 . 3.300 2.443 2.422 2.481 . 0 0 "[ . 1 . 2 . 3]" 1 550 1 37 LYS H 1 37 LYS QG 4.000 . 6.000 2.272 2.234 2.299 . 0 0 "[ . 1 . 2 . 3]" 1 551 1 37 LYS H 1 37 LYS QD 4.000 . 6.000 3.783 3.569 3.822 . 0 0 "[ . 1 . 2 . 3]" 1 552 1 37 LYS H 1 114 PHE QD 4.000 . 5.000 4.627 4.470 4.981 . 0 0 "[ . 1 . 2 . 3]" 1 553 1 37 LYS HB2 1 38 ALA H 3.000 . 3.500 2.611 2.497 2.665 . 0 0 "[ . 1 . 2 . 3]" 1 554 1 37 LYS HB3 1 38 ALA H 4.000 . 5.000 3.559 3.451 3.600 . 0 0 "[ . 1 . 2 . 3]" 1 555 1 37 LYS HG3 1 38 ALA H 4.000 . 6.000 4.372 4.303 4.416 . 0 0 "[ . 1 . 2 . 3]" 1 556 1 37 LYS HG2 1 38 ALA H 4.000 . 6.000 4.995 4.943 5.053 . 0 0 "[ . 1 . 2 . 3]" 1 557 1 37 LYS HB2 1 114 PHE QD 4.000 . 5.000 2.646 2.477 3.134 . 0 0 "[ . 1 . 2 . 3]" 1 558 1 37 LYS QD 1 114 PHE QD 4.000 . 6.000 3.519 3.337 4.181 . 0 0 "[ . 1 . 2 . 3]" 1 559 1 37 LYS HB3 1 114 PHE QE 4.000 . 5.000 2.403 2.298 2.986 . 0 0 "[ . 1 . 2 . 3]" 1 560 1 37 LYS HB2 1 114 PHE QE 4.000 . 5.000 2.669 2.455 3.562 . 0 0 "[ . 1 . 2 . 3]" 1 561 1 37 LYS QG 1 114 PHE QE 4.000 . 6.000 4.329 4.220 4.915 . 0 0 "[ . 1 . 2 . 3]" 1 562 1 37 LYS QG 1 114 PHE QD 4.000 . 6.000 4.555 4.405 5.011 . 0 0 "[ . 1 . 2 . 3]" 1 563 1 37 LYS QE 1 114 PHE QD 4.000 . 6.000 5.163 3.895 5.418 . 0 0 "[ . 1 . 2 . 3]" 1 564 1 37 LYS QG 1 41 VAL QG 4.000 . 8.400 4.653 4.450 4.825 . 0 0 "[ . 1 . 2 . 3]" 1 565 1 37 LYS HB3 1 38 ALA MB 4.000 . 6.500 4.766 4.674 4.806 . 0 0 "[ . 1 . 2 . 3]" 1 566 1 37 LYS HB2 1 38 ALA MB 4.000 . 6.500 4.073 4.002 4.139 . 0 0 "[ . 1 . 2 . 3]" 1 567 1 37 LYS HA 1 40 LYS HG3 4.000 . 6.000 4.930 4.252 5.306 . 0 0 "[ . 1 . 2 . 3]" 1 568 1 37 LYS HA 1 40 LYS HG2 4.000 . 6.000 4.301 4.145 5.232 . 0 0 "[ . 1 . 2 . 3]" 1 569 1 37 LYS QD 1 146 LYS HB3 4.000 . 6.000 4.321 3.701 4.951 . 0 0 "[ . 1 . 2 . 3]" 1 570 1 37 LYS QD 1 146 LYS HB2 4.000 . 6.000 5.143 4.399 5.459 . 0 0 "[ . 1 . 2 . 3]" 1 571 1 38 ALA H 1 114 PHE QD 3.000 . 3.500 3.476 3.308 3.561 0.061 23 0 "[ . 1 . 2 . 3]" 1 572 1 38 ALA H 1 114 PHE QE 4.000 . 5.000 2.921 2.730 3.615 . 0 0 "[ . 1 . 2 . 3]" 1 573 1 38 ALA H 1 117 ALA MB 4.000 . 6.500 4.814 4.691 4.957 . 0 0 "[ . 1 . 2 . 3]" 1 574 1 38 ALA H 1 40 LYS HB3 5.000 3.000 6.000 5.161 5.059 5.383 . 0 0 "[ . 1 . 2 . 3]" 1 575 1 38 ALA MB 1 39 PHE H 2.500 . 4.400 2.407 2.340 2.520 . 0 0 "[ . 1 . 2 . 3]" 1 576 1 38 ALA MB 1 117 ALA H 4.000 . 6.500 5.283 5.173 5.401 . 0 0 "[ . 1 . 2 . 3]" 1 577 1 38 ALA MB 1 118 ALA H 3.000 . 5.000 3.685 3.504 3.837 . 0 0 "[ . 1 . 2 . 3]" 1 578 1 38 ALA HA 1 114 PHE QE 3.000 . 3.500 2.438 2.279 2.558 . 0 0 "[ . 1 . 2 . 3]" 1 579 1 38 ALA MB 1 114 PHE HA 4.000 . 6.500 3.914 3.684 4.025 . 0 0 "[ . 1 . 2 . 3]" 1 580 1 38 ALA HA 1 114 PHE QD 4.000 . 5.000 4.145 3.731 4.277 . 0 0 "[ . 1 . 2 . 3]" 1 581 1 38 ALA MB 1 114 PHE QD 4.000 . 6.500 3.380 2.938 3.545 . 0 0 "[ . 1 . 2 . 3]" 1 582 1 38 ALA MB 1 114 PHE QE 4.000 . 6.500 3.210 3.026 3.475 . 0 0 "[ . 1 . 2 . 3]" 1 583 1 38 ALA HA 1 114 PHE HZ 4.000 . 5.000 3.346 3.063 4.068 . 0 0 "[ . 1 . 2 . 3]" 1 584 1 38 ALA MB 1 42 TRP HE1 4.000 . 6.500 3.878 3.654 4.218 . 0 0 "[ . 1 . 2 . 3]" 1 585 1 38 ALA HA 1 117 ALA MB 4.000 . 6.500 4.882 4.703 5.059 . 0 0 "[ . 1 . 2 . 3]" 1 586 1 38 ALA MB 1 117 ALA MB 2.500 . 5.700 2.768 2.660 2.902 . 0 0 "[ . 1 . 2 . 3]" 1 587 1 38 ALA MB 1 118 ALA MB 3.000 . 6.300 3.233 2.970 3.502 . 0 0 "[ . 1 . 2 . 3]" 1 588 1 38 ALA HA 1 118 ALA MB 3.000 . 4.800 3.624 3.363 3.837 . 0 0 "[ . 1 . 2 . 3]" 1 589 1 38 ALA HA 1 41 VAL QG 3.000 . 5.700 3.336 2.212 3.503 . 0 0 "[ . 1 . 2 . 3]" 1 590 1 38 ALA MB 1 41 VAL QG 4.000 . 8.900 4.325 3.368 4.465 . 0 0 "[ . 1 . 2 . 3]" 1 591 1 38 ALA MB 1 42 TRP HD1 4.000 . 6.500 3.211 2.900 3.362 . 0 0 "[ . 1 . 2 . 3]" 1 592 1 38 ALA MB 1 121 PHE QE 3.000 . 4.800 2.754 2.415 3.329 . 0 0 "[ . 1 . 2 . 3]" 1 593 1 38 ALA MB 1 121 PHE HD1 4.000 . 6.500 5.593 4.109 6.003 . 0 0 "[ . 1 . 2 . 3]" 1 594 1 38 ALA MB 1 121 PHE HZ 4.000 . 6.500 4.317 3.395 4.919 . 0 0 "[ . 1 . 2 . 3]" 1 595 1 38 ALA MB 1 114 PHE HB2 4.000 . 6.500 5.138 4.960 5.211 . 0 0 "[ . 1 . 2 . 3]" 1 596 1 38 ALA MB 1 121 PHE QB 4.000 . 7.500 3.876 3.711 4.283 . 0 0 "[ . 1 . 2 . 3]" 1 597 1 38 ALA MB 1 118 ALA HA 3.000 . 4.800 2.834 2.555 3.043 . 0 0 "[ . 1 . 2 . 3]" 1 598 1 38 ALA HA 1 41 VAL HB 4.000 . 5.000 3.211 3.040 5.040 0.040 23 0 "[ . 1 . 2 . 3]" 1 599 1 39 PHE HA 1 39 PHE HD1 2.500 . 2.700 2.486 2.352 2.640 . 0 0 "[ . 1 . 2 . 3]" 1 600 1 39 PHE H 1 39 PHE HB2 2.500 . 2.900 2.369 2.318 2.418 . 0 0 "[ . 1 . 2 . 3]" 1 601 1 39 PHE H 1 39 PHE HB3 4.000 . 5.000 3.607 3.585 3.625 . 0 0 "[ . 1 . 2 . 3]" 1 602 1 39 PHE H 1 39 PHE HD2 3.000 . 3.500 2.784 2.635 2.893 . 0 0 "[ . 1 . 2 . 3]" 1 603 1 39 PHE H 1 40 LYS HB3 4.000 . 5.000 4.890 4.791 5.136 0.136 28 0 "[ . 1 . 2 . 3]" 1 604 1 39 PHE HD2 1 40 LYS H 4.000 . 5.000 4.599 4.495 4.731 . 0 0 "[ . 1 . 2 . 3]" 1 605 1 39 PHE HA 1 42 TRP HD1 4.000 . 5.000 3.386 3.149 3.818 . 0 0 "[ . 1 . 2 . 3]" 1 606 1 39 PHE HE2 1 62 ILE MD 4.000 . 6.500 3.465 3.233 3.652 . 0 0 "[ . 1 . 2 . 3]" 1 607 1 39 PHE HZ 1 60 ILE MG 4.000 . 6.500 3.748 3.285 4.442 . 0 0 "[ . 1 . 2 . 3]" 1 608 1 39 PHE HE2 1 62 ILE QG 4.000 . 6.000 5.350 5.134 5.434 . 0 0 "[ . 1 . 2 . 3]" 1 609 1 39 PHE HE1 1 60 ILE MD 4.000 . 6.500 3.450 2.923 3.880 . 0 0 "[ . 1 . 2 . 3]" 1 610 1 39 PHE HZ 1 60 ILE MD 4.000 . 6.500 3.863 3.535 4.400 . 0 0 "[ . 1 . 2 . 3]" 1 611 1 39 PHE HZ 1 62 ILE QG 4.000 . 6.000 4.778 4.440 5.034 . 0 0 "[ . 1 . 2 . 3]" 1 612 1 39 PHE HZ 1 62 ILE MD 4.000 . 6.500 3.493 3.019 3.877 . 0 0 "[ . 1 . 2 . 3]" 1 613 1 39 PHE HB3 1 40 LYS H 4.000 . 5.000 3.544 3.454 3.637 . 0 0 "[ . 1 . 2 . 3]" 1 614 1 39 PHE HB2 1 40 LYS H 4.000 . 5.000 2.719 2.662 2.837 . 0 0 "[ . 1 . 2 . 3]" 1 615 1 39 PHE HE1 1 60 ILE MG 4.000 . 6.500 4.560 3.945 5.245 . 0 0 "[ . 1 . 2 . 3]" 1 616 1 39 PHE HB3 1 50 PHE HD2 4.000 . 5.000 3.102 2.688 3.620 . 0 0 "[ . 1 . 2 . 3]" 1 617 1 40 LYS HA 1 40 LYS QD 4.000 . 6.000 2.167 2.120 2.666 . 0 0 "[ . 1 . 2 . 3]" 1 618 1 40 LYS HB3 1 40 LYS QE 4.000 . 6.000 4.295 3.302 4.546 . 0 0 "[ . 1 . 2 . 3]" 1 619 1 40 LYS HB2 1 40 LYS QE 4.000 . 6.000 3.807 2.216 4.222 . 0 0 "[ . 1 . 2 . 3]" 1 620 1 40 LYS HA 1 40 LYS HG3 4.000 . 5.600 3.104 2.633 3.617 . 0 0 "[ . 1 . 2 . 3]" 1 621 1 40 LYS HA 1 40 LYS HG2 4.000 . 5.600 3.709 2.363 3.776 . 0 0 "[ . 1 . 2 . 3]" 1 622 1 40 LYS HA 1 41 VAL QG 4.000 . 7.400 4.834 4.391 4.891 . 0 0 "[ . 1 . 2 . 3]" 1 623 1 40 LYS H 1 41 VAL QG 4.000 . 7.400 4.281 3.520 4.407 . 0 0 "[ . 1 . 2 . 3]" 1 624 1 40 LYS HG3 1 41 VAL H 4.000 . 6.000 3.611 3.454 4.795 . 0 0 "[ . 1 . 2 . 3]" 1 625 1 40 LYS HG2 1 41 VAL H 4.000 . 6.000 4.505 4.346 4.842 . 0 0 "[ . 1 . 2 . 3]" 1 626 1 40 LYS QD 1 41 VAL H 4.000 . 6.000 4.509 3.372 4.992 . 0 0 "[ . 1 . 2 . 3]" 1 627 1 40 LYS HB3 1 41 VAL H 3.000 . 3.500 2.437 2.363 2.511 . 0 0 "[ . 1 . 2 . 3]" 1 628 1 40 LYS QD 1 43 SER HB3 4.000 . 6.000 4.787 4.585 5.136 . 0 0 "[ . 1 . 2 . 3]" 1 629 1 40 LYS QD 1 43 SER HB2 4.000 . 6.000 4.722 4.554 5.165 . 0 0 "[ . 1 . 2 . 3]" 1 630 1 41 VAL HA 1 41 VAL QG 3.000 . 3.900 2.077 2.057 2.200 . 0 0 "[ . 1 . 2 . 3]" 1 631 1 41 VAL H 1 41 VAL QG 2.500 . 4.600 2.190 1.691 2.281 . 0 0 "[ . 1 . 2 . 3]" 1 632 1 41 VAL H 1 41 VAL HB 2.500 . 2.900 2.479 2.415 3.539 0.639 23 1 "[ . 1 . 2 + . 3]" 1 633 1 41 VAL H 1 42 TRP QB 4.000 . 6.000 4.781 4.724 4.848 . 0 0 "[ . 1 . 2 . 3]" 1 634 1 41 VAL HB 1 42 TRP H 3.000 . 3.500 2.694 2.536 3.563 0.063 23 0 "[ . 1 . 2 . 3]" 1 635 1 41 VAL QG 1 42 TRP H 3.000 . 5.900 3.110 1.975 3.203 . 0 0 "[ . 1 . 2 . 3]" 1 636 1 41 VAL QG 1 43 SER H 4.000 . 7.400 4.621 4.053 4.687 . 0 0 "[ . 1 . 2 . 3]" 1 637 1 41 VAL QG 1 44 ASP H 4.000 . 7.400 4.454 4.374 4.554 . 0 0 "[ . 1 . 2 . 3]" 1 638 1 41 VAL QG 1 151 LEU H 4.000 . 7.400 2.913 2.817 3.719 . 0 0 "[ . 1 . 2 . 3]" 1 639 1 41 VAL HB 1 151 LEU H 5.000 3.000 6.000 5.926 3.429 6.126 0.126 1 0 "[ . 1 . 2 . 3]" 1 640 1 41 VAL QG 1 114 PHE QD 4.000 . 7.400 4.731 4.185 4.813 . 0 0 "[ . 1 . 2 . 3]" 1 641 1 41 VAL MG2 1 114 PHE QE 3.000 . 4.800 3.142 2.687 3.220 . 0 0 "[ . 1 . 2 . 3]" 1 642 1 41 VAL MG1 1 114 PHE HZ 4.000 . 6.500 3.428 2.526 3.705 . 0 0 "[ . 1 . 2 . 3]" 1 643 1 41 VAL MG2 1 114 PHE HZ 4.000 . 6.500 2.280 2.239 2.365 . 0 0 "[ . 1 . 2 . 3]" 1 644 1 41 VAL QG 1 42 TRP HA 4.000 . 7.400 3.336 3.254 3.623 . 0 0 "[ . 1 . 2 . 3]" 1 645 1 41 VAL QG 1 42 TRP HE1 4.000 . 7.400 4.320 3.519 4.458 . 0 0 "[ . 1 . 2 . 3]" 1 646 1 41 VAL MG1 1 118 ALA MB 4.000 . 8.000 4.122 3.926 4.780 . 0 0 "[ . 1 . 2 . 3]" 1 647 1 41 VAL MG2 1 118 ALA MB 4.000 . 8.000 4.503 3.308 4.673 . 0 0 "[ . 1 . 2 . 3]" 1 648 1 41 VAL QG 1 42 TRP HD1 4.000 . 7.400 4.203 2.564 4.404 . 0 0 "[ . 1 . 2 . 3]" 1 649 1 41 VAL MG1 1 149 PHE QD 3.000 . 4.800 3.217 2.592 3.411 . 0 0 "[ . 1 . 2 . 3]" 1 650 1 41 VAL MG2 1 149 PHE QD 3.000 . 4.800 3.584 3.103 3.848 . 0 0 "[ . 1 . 2 . 3]" 1 651 1 41 VAL QG 1 149 PHE QE 3.000 . 5.700 3.404 2.856 3.696 . 0 0 "[ . 1 . 2 . 3]" 1 652 1 41 VAL QG 1 44 ASP HB3 4.000 . 7.400 4.970 4.858 5.400 . 0 0 "[ . 1 . 2 . 3]" 1 653 1 41 VAL MG1 1 42 TRP QB 4.000 . 7.500 4.434 4.349 5.560 . 0 0 "[ . 1 . 2 . 3]" 1 654 1 41 VAL QG 1 151 LEU QD 3.000 . 8.100 2.157 1.904 3.255 . 0 0 "[ . 1 . 2 . 3]" 1 655 1 41 VAL HB 1 151 LEU QD 4.000 . 7.400 3.917 3.233 4.090 . 0 0 "[ . 1 . 2 . 3]" 1 656 1 41 VAL HB 1 42 TRP HD1 4.000 . 5.000 4.073 3.504 4.981 . 0 0 "[ . 1 . 2 . 3]" 1 657 1 41 VAL HB 1 114 PHE QE 4.000 . 5.000 4.225 4.064 4.859 . 0 0 "[ . 1 . 2 . 3]" 1 658 1 41 VAL QG 1 118 ALA HA 4.000 . 7.400 5.318 4.359 5.497 . 0 0 "[ . 1 . 2 . 3]" 1 659 1 41 VAL QG 1 149 PHE HB3 4.000 . 7.400 4.098 3.592 4.258 . 0 0 "[ . 1 . 2 . 3]" 1 660 1 41 VAL QG 1 149 PHE HB2 4.000 . 7.400 5.390 4.954 5.531 . 0 0 "[ . 1 . 2 . 3]" 1 661 1 41 VAL QG 1 150 MET HB2 4.000 . 7.400 5.387 5.083 5.479 . 0 0 "[ . 1 . 2 . 3]" 1 662 1 41 VAL QG 1 150 MET QG 4.000 . 8.400 4.066 3.591 4.698 . 0 0 "[ . 1 . 2 . 3]" 1 663 1 41 VAL MG1 1 151 LEU HG 4.000 . 6.500 2.272 2.064 4.161 . 0 0 "[ . 1 . 2 . 3]" 1 664 1 42 TRP H 1 42 TRP HD1 3.000 . 3.500 3.164 2.913 3.277 . 0 0 "[ . 1 . 2 . 3]" 1 665 1 42 TRP HA 1 42 TRP HE3 4.000 . 5.000 2.407 2.315 2.998 . 0 0 "[ . 1 . 2 . 3]" 1 666 1 42 TRP HA 1 42 TRP HD1 4.000 . 5.000 4.368 4.062 4.425 . 0 0 "[ . 1 . 2 . 3]" 1 667 1 42 TRP HD1 1 43 SER H 4.000 . 5.000 4.915 4.787 4.997 . 0 0 "[ . 1 . 2 . 3]" 1 668 1 42 TRP QB 1 43 SER H 3.000 . 4.500 2.710 2.641 2.808 . 0 0 "[ . 1 . 2 . 3]" 1 669 1 42 TRP HE1 1 121 PHE H 4.000 . 5.000 4.667 4.206 4.932 . 0 0 "[ . 1 . 2 . 3]" 1 670 1 42 TRP HE1 1 122 GLY H 4.000 . 5.000 3.963 3.780 4.293 . 0 0 "[ . 1 . 2 . 3]" 1 671 1 42 TRP HA 1 50 PHE HE2 5.000 3.000 6.000 6.032 5.968 6.097 0.097 20 0 "[ . 1 . 2 . 3]" 1 672 1 42 TRP HA 1 45 VAL MG2 3.000 . 4.800 3.150 2.950 3.336 . 0 0 "[ . 1 . 2 . 3]" 1 673 1 42 TRP HA 1 45 VAL MG1 4.000 . 6.500 4.705 4.398 5.364 . 0 0 "[ . 1 . 2 . 3]" 1 674 1 42 TRP HA 1 151 LEU QB 4.000 . 6.000 5.338 5.053 5.469 . 0 0 "[ . 1 . 2 . 3]" 1 675 1 42 TRP QB 1 50 PHE HE2 4.000 . 6.000 3.759 3.651 3.887 . 0 0 "[ . 1 . 2 . 3]" 1 676 1 42 TRP QB 1 125 LEU MD1 4.000 . 7.500 2.739 2.309 2.953 . 0 0 "[ . 1 . 2 . 3]" 1 677 1 42 TRP QB 1 125 LEU MD2 4.000 . 7.500 3.685 3.278 3.998 . 0 0 "[ . 1 . 2 . 3]" 1 678 1 42 TRP HE1 1 122 GLY HA3 4.000 . 6.000 5.122 4.874 5.431 . 0 0 "[ . 1 . 2 . 3]" 1 679 1 42 TRP HE1 1 122 GLY HA2 4.000 . 6.000 4.949 4.678 5.400 . 0 0 "[ . 1 . 2 . 3]" 1 680 1 42 TRP HE1 1 118 ALA HA 2.500 . 2.700 2.476 2.211 2.642 . 0 0 "[ . 1 . 2 . 3]" 1 681 1 42 TRP HE1 1 121 PHE QB 3.000 . 4.500 2.725 2.110 3.231 . 0 0 "[ . 1 . 2 . 3]" 1 682 1 42 TRP HE1 1 118 ALA MB 2.500 . 4.200 2.583 2.032 2.960 . 0 0 "[ . 1 . 2 . 3]" 1 683 1 42 TRP HD1 1 118 ALA HA 4.000 . 5.000 3.873 3.462 4.188 . 0 0 "[ . 1 . 2 . 3]" 1 684 1 42 TRP HZ2 1 118 ALA MB 3.000 . 4.800 3.596 3.225 3.857 . 0 0 "[ . 1 . 2 . 3]" 1 685 1 42 TRP HA 1 151 LEU MD1 4.000 . 6.500 2.366 2.251 2.645 . 0 0 "[ . 1 . 2 . 3]" 1 686 1 42 TRP HD1 1 121 PHE QB 4.000 . 6.000 3.233 2.814 3.719 . 0 0 "[ . 1 . 2 . 3]" 1 687 1 42 TRP HE3 1 159 ILE MG 4.000 . 6.500 3.981 3.672 4.476 . 0 0 "[ . 1 . 2 . 3]" 1 688 1 42 TRP HE3 1 125 LEU MD1 4.000 . 6.500 2.924 2.278 3.285 . 0 0 "[ . 1 . 2 . 3]" 1 689 1 42 TRP HZ3 1 127 LEU QD 3.000 . 4.800 2.788 2.297 3.035 . 0 0 "[ . 1 . 2 . 3]" 1 690 1 42 TRP HZ3 1 159 ILE MD 4.000 . 6.500 3.075 2.408 3.467 . 0 0 "[ . 1 . 2 . 3]" 1 691 1 42 TRP HZ3 1 125 LEU MD1 4.000 . 6.500 3.546 2.444 3.996 . 0 0 "[ . 1 . 2 . 3]" 1 692 1 42 TRP HZ3 1 159 ILE MG 4.000 . 6.500 3.397 3.068 3.881 . 0 0 "[ . 1 . 2 . 3]" 1 693 1 42 TRP HZ2 1 119 HIS HA 4.000 . 5.000 4.244 3.822 4.671 . 0 0 "[ . 1 . 2 . 3]" 1 694 1 42 TRP HZ2 1 122 GLY H 4.000 . 5.000 3.800 3.342 4.196 . 0 0 "[ . 1 . 2 . 3]" 1 695 1 42 TRP HA 1 125 LEU MD1 4.000 . 6.500 4.294 3.879 4.578 . 0 0 "[ . 1 . 2 . 3]" 1 696 1 42 TRP HZ2 1 127 LEU QD 4.000 . 6.500 4.279 3.916 4.624 . 0 0 "[ . 1 . 2 . 3]" 1 697 1 42 TRP HZ2 1 137 MET ME 4.000 . 6.500 5.404 5.208 5.511 . 0 0 "[ . 1 . 2 . 3]" 1 698 1 42 TRP HZ2 1 151 LEU QD 4.000 . 7.400 3.215 2.842 3.760 . 0 0 "[ . 1 . 2 . 3]" 1 699 1 42 TRP HZ3 1 151 LEU QD 4.000 . 7.400 2.539 2.291 2.863 . 0 0 "[ . 1 . 2 . 3]" 1 700 1 42 TRP HZ3 1 155 ASP HB3 4.000 . 5.000 3.307 2.971 4.561 . 0 0 "[ . 1 . 2 . 3]" 1 701 1 42 TRP HE3 1 159 ILE MD 4.000 . 6.500 3.351 3.047 3.671 . 0 0 "[ . 1 . 2 . 3]" 1 702 1 42 TRP QB 1 48 LEU MD1 4.000 . 7.500 3.886 3.480 4.395 . 0 0 "[ . 1 . 2 . 3]" 1 703 1 42 TRP HE3 1 46 THR MG 4.000 . 6.500 3.140 2.591 3.519 . 0 0 "[ . 1 . 2 . 3]" 1 704 1 42 TRP HA 1 46 THR MG 4.000 . 6.500 3.584 3.097 3.906 . 0 0 "[ . 1 . 2 . 3]" 1 705 1 42 TRP HE1 1 151 LEU QD 4.000 . 7.400 4.092 3.654 4.305 . 0 0 "[ . 1 . 2 . 3]" 1 706 1 42 TRP HZ2 1 136 LEU MD1 4.000 . 6.500 3.194 2.993 3.441 . 0 0 "[ . 1 . 2 . 3]" 1 707 1 42 TRP HZ2 1 136 LEU MD2 4.000 . 6.500 5.387 5.109 5.498 . 0 0 "[ . 1 . 2 . 3]" 1 708 1 42 TRP HE3 1 45 VAL MG2 4.000 . 6.500 3.326 2.980 3.789 . 0 0 "[ . 1 . 2 . 3]" 1 709 1 42 TRP HH2 1 127 LEU QD 4.000 . 6.500 2.818 2.335 3.113 . 0 0 "[ . 1 . 2 . 3]" 1 710 1 43 SER H 1 43 SER HB3 4.000 . 5.000 2.501 2.382 2.600 . 0 0 "[ . 1 . 2 . 3]" 1 711 1 43 SER HB3 1 44 ASP H 4.000 . 5.000 4.080 3.985 4.172 . 0 0 "[ . 1 . 2 . 3]" 1 712 1 43 SER HA 1 50 PHE HE2 4.000 . 5.000 3.039 2.797 3.201 . 0 0 "[ . 1 . 2 . 3]" 1 713 1 43 SER HA 1 50 PHE HD2 4.000 . 5.000 4.648 4.295 4.845 . 0 0 "[ . 1 . 2 . 3]" 1 714 1 43 SER HA 1 46 THR MG 4.000 . 6.500 3.881 3.676 4.073 . 0 0 "[ . 1 . 2 . 3]" 1 715 1 43 SER HA 1 48 LEU MD1 4.000 . 6.500 4.431 3.880 5.030 . 0 0 "[ . 1 . 2 . 3]" 1 716 1 43 SER HB3 1 50 PHE HE2 4.000 . 5.000 2.598 2.402 2.792 . 0 0 "[ . 1 . 2 . 3]" 1 717 1 43 SER HA 1 50 PHE HZ 4.000 . 5.000 4.909 4.672 5.019 0.019 21 0 "[ . 1 . 2 . 3]" 1 718 1 43 SER HB3 1 50 PHE HZ 4.000 . 5.000 4.984 4.809 5.111 0.111 28 0 "[ . 1 . 2 . 3]" 1 719 1 43 SER HB2 1 50 PHE HD2 4.000 . 5.000 3.719 3.463 3.990 . 0 0 "[ . 1 . 2 . 3]" 1 720 1 43 SER HA 1 48 LEU H 4.000 . 5.000 3.965 3.664 4.332 . 0 0 "[ . 1 . 2 . 3]" 1 721 1 43 SER H 1 50 PHE HE2 4.000 . 5.000 3.877 3.702 4.007 . 0 0 "[ . 1 . 2 . 3]" 1 722 1 44 ASP H 1 44 ASP QB 2.500 . 3.500 2.385 2.316 2.417 . 0 0 "[ . 1 . 2 . 3]" 1 723 1 44 ASP QB 1 45 VAL H 4.000 . 6.000 2.623 2.581 2.682 . 0 0 "[ . 1 . 2 . 3]" 1 724 1 44 ASP H 1 45 VAL MG1 4.000 . 6.500 4.358 4.230 4.914 . 0 0 "[ . 1 . 2 . 3]" 1 725 1 44 ASP H 1 45 VAL MG2 4.000 . 6.500 4.075 3.806 4.174 . 0 0 "[ . 1 . 2 . 3]" 1 726 1 44 ASP H 1 46 THR MG 4.000 . 6.500 4.873 4.711 5.097 . 0 0 "[ . 1 . 2 . 3]" 1 727 1 44 ASP HA 1 45 VAL MG2 4.000 . 6.500 5.100 4.751 5.200 . 0 0 "[ . 1 . 2 . 3]" 1 728 1 44 ASP QB 1 45 VAL MG1 4.000 . 7.500 2.599 2.505 2.983 . 0 0 "[ . 1 . 2 . 3]" 1 729 1 44 ASP QB 1 45 VAL MG2 4.000 . 7.500 3.562 2.900 3.730 . 0 0 "[ . 1 . 2 . 3]" 1 730 1 45 VAL HA 1 45 VAL MG1 2.500 . 3.800 2.380 2.251 2.425 . 0 0 "[ . 1 . 2 . 3]" 1 731 1 45 VAL H 1 45 VAL MG1 3.000 . 5.000 2.502 2.382 2.985 . 0 0 "[ . 1 . 2 . 3]" 1 732 1 45 VAL H 1 45 VAL MG2 2.500 . 4.400 1.931 1.849 2.021 . 0 0 "[ . 1 . 2 . 3]" 1 733 1 45 VAL H 1 45 VAL HB 4.000 . 5.000 3.754 3.672 3.779 . 0 0 "[ . 1 . 2 . 3]" 1 734 1 45 VAL HB 1 46 THR H 4.000 . 5.000 4.356 3.941 4.537 . 0 0 "[ . 1 . 2 . 3]" 1 735 1 45 VAL H 1 46 THR MG 4.000 . 6.500 3.313 3.046 3.722 . 0 0 "[ . 1 . 2 . 3]" 1 736 1 45 VAL MG2 1 46 THR H 3.000 . 5.000 3.025 2.255 3.630 . 0 0 "[ . 1 . 2 . 3]" 1 737 1 45 VAL MG1 1 46 THR H 4.000 . 6.500 4.162 3.869 4.441 . 0 0 "[ . 1 . 2 . 3]" 1 738 1 45 VAL MG1 1 151 LEU H 4.000 . 6.500 4.634 3.994 5.351 . 0 0 "[ . 1 . 2 . 3]" 1 739 1 45 VAL MG1 1 156 VAL HB 4.000 . 6.500 5.106 4.898 5.260 . 0 0 "[ . 1 . 2 . 3]" 1 740 1 45 VAL MG1 1 151 LEU QB 3.000 . 5.800 3.381 3.022 3.780 . 0 0 "[ . 1 . 2 . 3]" 1 741 1 45 VAL MG2 1 151 LEU QB 3.000 . 5.800 3.489 2.942 3.930 . 0 0 "[ . 1 . 2 . 3]" 1 742 1 45 VAL HB 1 151 LEU QD 4.000 . 7.400 4.267 4.029 4.637 . 0 0 "[ . 1 . 2 . 3]" 1 743 1 45 VAL MG1 1 151 LEU QD 3.000 . 7.200 2.701 2.369 3.232 . 0 0 "[ . 1 . 2 . 3]" 1 744 1 45 VAL MG2 1 151 LEU QD 3.000 . 7.200 2.147 1.938 2.523 . 0 0 "[ . 1 . 2 . 3]" 1 745 1 45 VAL MG2 1 156 VAL HA 4.000 . 6.500 3.436 3.309 3.608 . 0 0 "[ . 1 . 2 . 3]" 1 746 1 45 VAL HA 1 156 VAL MG1 4.000 . 6.500 5.291 5.199 5.360 . 0 0 "[ . 1 . 2 . 3]" 1 747 1 45 VAL HB 1 156 VAL MG1 4.000 . 6.500 3.457 3.334 3.667 . 0 0 "[ . 1 . 2 . 3]" 1 748 1 45 VAL MG2 1 156 VAL MG1 3.000 . 6.300 3.780 3.483 4.001 . 0 0 "[ . 1 . 2 . 3]" 1 749 1 45 VAL MG2 1 159 ILE MD 4.000 . 8.000 4.072 3.718 4.435 . 0 0 "[ . 1 . 2 . 3]" 1 750 1 45 VAL MG2 1 46 THR MG 3.000 . 6.300 2.049 1.956 2.260 . 0 0 "[ . 1 . 2 . 3]" 1 751 1 45 VAL HB 1 159 ILE MG 4.000 . 6.500 3.419 3.083 3.832 . 0 0 "[ . 1 . 2 . 3]" 1 752 1 45 VAL MG2 1 151 LEU HG 4.000 . 6.500 4.479 4.016 4.989 . 0 0 "[ . 1 . 2 . 3]" 1 753 1 46 THR HA 1 46 THR MG 3.000 . 4.400 2.382 2.267 2.521 . 0 0 "[ . 1 . 2 . 3]" 1 754 1 46 THR H 1 46 THR MG 3.000 . 5.000 2.711 2.266 3.135 . 0 0 "[ . 1 . 2 . 3]" 1 755 1 46 THR H 1 46 THR HB 4.000 . 5.000 3.863 3.666 3.998 . 0 0 "[ . 1 . 2 . 3]" 1 756 1 46 THR MG 1 48 LEU H 3.000 . 5.000 4.206 4.125 4.269 . 0 0 "[ . 1 . 2 . 3]" 1 757 1 46 THR HA 1 47 PRO HG3 4.000 . 6.000 4.460 4.436 4.492 . 0 0 "[ . 1 . 2 . 3]" 1 758 1 46 THR HA 1 47 PRO HG2 4.000 . 6.000 4.519 4.484 4.594 . 0 0 "[ . 1 . 2 . 3]" 1 759 1 46 THR HA 1 47 PRO HD3 4.000 . 6.000 2.263 2.233 2.319 . 0 0 "[ . 1 . 2 . 3]" 1 760 1 46 THR HA 1 47 PRO HD2 4.000 . 6.000 2.360 2.299 2.470 . 0 0 "[ . 1 . 2 . 3]" 1 761 1 46 THR MG 1 47 PRO HD3 4.000 . 7.500 4.239 4.053 4.393 . 0 0 "[ . 1 . 2 . 3]" 1 762 1 46 THR MG 1 47 PRO HD2 4.000 . 7.500 3.800 3.563 4.119 . 0 0 "[ . 1 . 2 . 3]" 1 763 1 46 THR HB 1 47 PRO HD3 4.000 . 6.000 4.008 3.683 4.377 . 0 0 "[ . 1 . 2 . 3]" 1 764 1 46 THR HB 1 47 PRO HD2 4.000 . 6.000 2.884 2.486 3.481 . 0 0 "[ . 1 . 2 . 3]" 1 765 1 46 THR HB 1 47 PRO QG 5.000 . 7.000 4.576 4.281 5.126 . 0 0 "[ . 1 . 2 . 3]" 1 766 1 46 THR MG 1 159 ILE MD 4.000 . 8.000 2.489 2.163 2.841 . 0 0 "[ . 1 . 2 . 3]" 1 767 1 46 THR MG 1 48 LEU MD1 4.000 . 8.000 2.952 2.793 3.117 . 0 0 "[ . 1 . 2 . 3]" 1 768 1 46 THR MG 1 48 LEU MD2 4.000 . 8.000 4.694 4.489 4.880 . 0 0 "[ . 1 . 2 . 3]" 1 769 1 46 THR MG 1 163 TYR QD 4.000 . 6.500 3.806 3.484 4.303 . 0 0 "[ . 1 . 2 . 3]" 1 770 1 46 THR MG 1 50 PHE HE2 4.000 . 6.500 5.132 4.502 5.361 . 0 0 "[ . 1 . 2 . 3]" 1 771 1 46 THR MG 1 163 TYR HB2 4.000 . 6.500 3.720 3.324 4.524 . 0 0 "[ . 1 . 2 . 3]" 1 772 1 46 THR MG 1 159 ILE HB 4.000 . 6.500 4.132 4.053 4.226 . 0 0 "[ . 1 . 2 . 3]" 1 773 1 46 THR MG 1 125 LEU MD2 3.000 . 6.300 3.470 2.674 4.065 . 0 0 "[ . 1 . 2 . 3]" 1 774 1 46 THR MG 1 125 LEU MD1 4.000 . 8.000 3.258 2.467 3.755 . 0 0 "[ . 1 . 2 . 3]" 1 775 1 46 THR MG 1 47 PRO QG 4.000 . 7.500 5.207 5.013 5.453 . 0 0 "[ . 1 . 2 . 3]" 1 776 1 46 THR MG 1 151 LEU QD 4.000 . 8.900 3.810 3.540 3.979 . 0 0 "[ . 1 . 2 . 3]" 1 777 1 46 THR HB 1 48 LEU MD1 4.000 . 6.500 2.665 2.261 2.962 . 0 0 "[ . 1 . 2 . 3]" 1 778 1 46 THR HB 1 48 LEU H 4.000 . 5.000 2.774 2.496 2.997 . 0 0 "[ . 1 . 2 . 3]" 1 779 1 47 PRO QB 1 48 LEU H 4.000 . 6.000 3.872 3.802 3.919 . 0 0 "[ . 1 . 2 . 3]" 1 780 1 47 PRO QG 1 48 LEU H 4.000 . 6.000 3.888 3.724 4.066 . 0 0 "[ . 1 . 2 . 3]" 1 781 1 47 PRO QD 1 48 LEU H 4.000 . 6.000 3.190 3.049 3.324 . 0 0 "[ . 1 . 2 . 3]" 1 782 1 47 PRO QD 1 48 LEU MD1 4.000 . 7.500 4.361 4.248 4.541 . 0 0 "[ . 1 . 2 . 3]" 1 783 1 47 PRO HG3 1 163 TYR HB3 4.000 . 6.000 4.695 3.967 5.057 . 0 0 "[ . 1 . 2 . 3]" 1 784 1 47 PRO HG2 1 163 TYR HB3 4.000 . 6.000 4.006 3.254 4.356 . 0 0 "[ . 1 . 2 . 3]" 1 785 1 47 PRO HG3 1 163 TYR HB2 4.000 . 6.000 5.720 4.839 6.037 0.037 14 0 "[ . 1 . 2 . 3]" 1 786 1 47 PRO HG2 1 163 TYR HB2 4.000 . 6.000 5.345 4.610 5.672 . 0 0 "[ . 1 . 2 . 3]" 1 787 1 47 PRO QD 1 48 LEU HG 4.000 . 6.000 3.315 3.167 3.481 . 0 0 "[ . 1 . 2 . 3]" 1 788 1 48 LEU H 1 48 LEU MD1 3.000 . 5.000 3.464 3.393 3.549 . 0 0 "[ . 1 . 2 . 3]" 1 789 1 48 LEU H 1 48 LEU MD2 3.000 . 5.000 3.381 3.266 3.529 . 0 0 "[ . 1 . 2 . 3]" 1 790 1 48 LEU H 1 48 LEU HB2 3.000 . 3.500 2.509 2.453 2.539 . 0 0 "[ . 1 . 2 . 3]" 1 791 1 48 LEU H 1 48 LEU HG 3.000 . 3.500 2.124 2.049 2.223 . 0 0 "[ . 1 . 2 . 3]" 1 792 1 48 LEU H 1 48 LEU HB3 4.000 . 5.000 3.623 3.607 3.633 . 0 0 "[ . 1 . 2 . 3]" 1 793 1 48 LEU MD2 1 49 ASN H 3.000 . 5.000 3.531 3.435 3.623 . 0 0 "[ . 1 . 2 . 3]" 1 794 1 48 LEU HB3 1 49 ASN H 3.000 . 3.500 3.094 3.021 3.283 . 0 0 "[ . 1 . 2 . 3]" 1 795 1 48 LEU HB2 1 49 ASN H 4.000 . 5.000 4.063 3.980 4.165 . 0 0 "[ . 1 . 2 . 3]" 1 796 1 48 LEU HG 1 49 ASN H 5.000 3.000 6.000 4.992 4.924 5.065 . 0 0 "[ . 1 . 2 . 3]" 1 797 1 48 LEU MD1 1 125 LEU MD2 3.000 . 6.300 2.127 1.896 2.355 . 0 0 "[ . 1 . 2 . 3]" 1 798 1 48 LEU MD1 1 163 TYR QD 4.000 . 6.500 3.728 3.457 4.166 . 0 0 "[ . 1 . 2 . 3]" 1 799 1 48 LEU MD2 1 163 TYR QD 4.000 . 6.500 3.029 2.676 3.412 . 0 0 "[ . 1 . 2 . 3]" 1 800 1 48 LEU MD1 1 50 PHE HZ 4.000 . 6.500 2.412 2.213 2.555 . 0 0 "[ . 1 . 2 . 3]" 1 801 1 48 LEU MD2 1 50 PHE HZ 4.000 . 6.500 4.324 4.013 4.655 . 0 0 "[ . 1 . 2 . 3]" 1 802 1 48 LEU MD1 1 50 PHE HE1 4.000 . 6.500 3.656 3.351 3.880 . 0 0 "[ . 1 . 2 . 3]" 1 803 1 48 LEU MD2 1 50 PHE HE1 4.000 . 6.500 4.859 4.624 5.110 . 0 0 "[ . 1 . 2 . 3]" 1 804 1 48 LEU MD1 1 163 TYR HB3 4.000 . 6.500 4.707 4.312 5.107 . 0 0 "[ . 1 . 2 . 3]" 1 805 1 48 LEU MD2 1 163 TYR HB3 4.000 . 6.500 4.321 3.949 4.510 . 0 0 "[ . 1 . 2 . 3]" 1 806 1 48 LEU MD1 1 163 TYR HB2 4.000 . 6.500 4.905 4.429 5.231 . 0 0 "[ . 1 . 2 . 3]" 1 807 1 48 LEU MD2 1 163 TYR HB2 4.000 . 6.500 5.239 4.855 5.330 . 0 0 "[ . 1 . 2 . 3]" 1 808 1 48 LEU MD1 1 125 LEU QB 4.000 . 7.500 4.224 4.031 4.450 . 0 0 "[ . 1 . 2 . 3]" 1 809 1 48 LEU MD1 1 125 LEU HA 4.000 . 6.500 4.421 4.156 4.745 . 0 0 "[ . 1 . 2 . 3]" 1 810 1 49 ASN H 1 49 ASN QB 2.500 . 3.500 2.446 2.398 2.519 . 0 0 "[ . 1 . 2 . 3]" 1 811 1 49 ASN QB 1 50 PHE H 3.000 . 4.500 3.381 3.358 3.406 . 0 0 "[ . 1 . 2 . 3]" 1 812 1 49 ASN HA 1 50 PHE HD2 4.000 . 5.000 3.912 3.748 4.177 . 0 0 "[ . 1 . 2 . 3]" 1 813 1 50 PHE HA 1 50 PHE HD1 4.000 . 5.000 2.739 2.556 2.866 . 0 0 "[ . 1 . 2 . 3]" 1 814 1 50 PHE H 1 50 PHE HD2 3.000 . 3.500 2.680 2.544 2.916 . 0 0 "[ . 1 . 2 . 3]" 1 815 1 50 PHE H 1 50 PHE HE2 4.000 . 5.000 4.687 4.572 4.895 . 0 0 "[ . 1 . 2 . 3]" 1 816 1 50 PHE HD1 1 51 THR H 4.000 . 5.000 4.305 4.031 4.440 . 0 0 "[ . 1 . 2 . 3]" 1 817 1 50 PHE QB 1 51 THR H 4.000 . 5.000 3.293 3.187 3.398 . 0 0 "[ . 1 . 2 . 3]" 1 818 1 50 PHE HE1 1 125 LEU MD2 4.000 . 6.500 4.190 3.813 4.578 . 0 0 "[ . 1 . 2 . 3]" 1 819 1 50 PHE HE2 1 125 LEU MD2 4.000 . 6.500 5.002 4.769 5.246 . 0 0 "[ . 1 . 2 . 3]" 1 820 1 50 PHE HZ 1 125 LEU MD1 4.000 . 6.500 4.300 4.072 4.666 . 0 0 "[ . 1 . 2 . 3]" 1 821 1 50 PHE HZ 1 125 LEU MD2 3.000 . 4.800 3.206 2.910 3.464 . 0 0 "[ . 1 . 2 . 3]" 1 822 1 50 PHE QB 1 51 THR HA 4.000 . 5.000 4.258 4.230 4.281 . 0 0 "[ . 1 . 2 . 3]" 1 823 1 50 PHE HE1 1 60 ILE MD 4.000 . 6.500 3.353 2.943 3.829 . 0 0 "[ . 1 . 2 . 3]" 1 824 1 51 THR HA 1 51 THR MG 2.000 . 3.300 2.309 2.296 2.325 . 0 0 "[ . 1 . 2 . 3]" 1 825 1 51 THR H 1 51 THR HB 3.000 . 3.500 2.620 2.599 2.638 . 0 0 "[ . 1 . 2 . 3]" 1 826 1 51 THR MG 1 52 ARG H 3.000 . 5.000 2.639 2.604 2.669 . 0 0 "[ . 1 . 2 . 3]" 1 827 1 51 THR HB 1 52 ARG H 4.000 . 5.000 4.185 4.165 4.196 . 0 0 "[ . 1 . 2 . 3]" 1 828 1 51 THR HA 1 52 ARG HB3 4.000 . 5.000 4.705 4.536 4.790 . 0 0 "[ . 1 . 2 . 3]" 1 829 1 51 THR HA 1 52 ARG HB2 4.000 . 5.000 4.569 4.476 4.669 . 0 0 "[ . 1 . 2 . 3]" 1 830 1 51 THR MG 1 53 LEU HA 4.000 . 6.500 3.916 3.836 4.023 . 0 0 "[ . 1 . 2 . 3]" 1 831 1 51 THR MG 1 52 ARG HA 4.000 . 6.500 4.078 4.030 4.118 . 0 0 "[ . 1 . 2 . 3]" 1 832 1 51 THR MG 1 52 ARG HB3 4.000 . 6.500 4.197 4.137 4.246 . 0 0 "[ . 1 . 2 . 3]" 1 833 1 51 THR HB 1 53 LEU MD1 4.000 . 6.500 4.806 4.391 5.232 . 0 0 "[ . 1 . 2 . 3]" 1 834 1 52 ARG HB3 1 52 ARG HD3 4.000 . 6.000 2.959 2.504 3.661 . 0 0 "[ . 1 . 2 . 3]" 1 835 1 52 ARG HB3 1 52 ARG HD2 4.000 . 6.000 3.188 2.302 3.840 . 0 0 "[ . 1 . 2 . 3]" 1 836 1 52 ARG HB2 1 52 ARG HD3 4.000 . 6.000 2.965 2.374 3.868 . 0 0 "[ . 1 . 2 . 3]" 1 837 1 52 ARG HB2 1 52 ARG HD2 4.000 . 6.000 3.027 2.422 3.682 . 0 0 "[ . 1 . 2 . 3]" 1 838 1 52 ARG HA 1 52 ARG QD 4.000 . 6.000 3.830 2.155 4.203 . 0 0 "[ . 1 . 2 . 3]" 1 839 1 52 ARG H 1 52 ARG HB3 2.500 . 2.900 2.524 2.378 2.607 . 0 0 "[ . 1 . 2 . 3]" 1 840 1 52 ARG H 1 52 ARG HB2 2.500 . 2.900 2.664 2.559 2.787 . 0 0 "[ . 1 . 2 . 3]" 1 841 1 52 ARG H 1 52 ARG QG 4.000 . 6.000 4.004 3.983 4.077 . 0 0 "[ . 1 . 2 . 3]" 1 842 1 52 ARG H 1 52 ARG QD 4.000 . 6.000 4.571 4.319 4.823 . 0 0 "[ . 1 . 2 . 3]" 1 843 1 52 ARG QD 1 53 LEU H 4.000 . 6.000 4.379 2.263 4.809 . 0 0 "[ . 1 . 2 . 3]" 1 844 1 52 ARG QG 1 53 LEU H 3.000 . 4.500 2.641 2.446 2.775 . 0 0 "[ . 1 . 2 . 3]" 1 845 1 52 ARG HB2 1 53 LEU H 4.000 . 5.000 4.271 4.139 4.355 . 0 0 "[ . 1 . 2 . 3]" 1 846 1 52 ARG QD 1 54 HIS HD2 4.000 . 6.000 4.508 3.360 5.417 . 0 0 "[ . 1 . 2 . 3]" 1 847 1 52 ARG QG 1 53 LEU HA 4.000 . 6.000 4.023 3.858 4.852 . 0 0 "[ . 1 . 2 . 3]" 1 848 1 52 ARG HB3 1 53 LEU HA 4.000 . 5.000 4.861 4.790 4.994 . 0 0 "[ . 1 . 2 . 3]" 1 849 1 52 ARG HA 1 53 LEU MD1 4.000 . 6.500 5.025 4.924 5.152 . 0 0 "[ . 1 . 2 . 3]" 1 850 1 53 LEU HB3 1 53 LEU MD1 3.000 . 5.000 2.366 2.303 2.422 . 0 0 "[ . 1 . 2 . 3]" 1 851 1 53 LEU HB2 1 53 LEU MD1 3.000 . 4.800 2.358 2.299 2.408 . 0 0 "[ . 1 . 2 . 3]" 1 852 1 53 LEU HA 1 53 LEU HG 4.000 . 5.000 2.999 2.881 3.157 . 0 0 "[ . 1 . 2 . 3]" 1 853 1 53 LEU HA 1 53 LEU MD1 3.000 . 4.800 3.827 3.806 3.846 . 0 0 "[ . 1 . 2 . 3]" 1 854 1 53 LEU H 1 53 LEU HB2 3.000 . 3.500 2.521 2.451 2.572 . 0 0 "[ . 1 . 2 . 3]" 1 855 1 53 LEU H 1 53 LEU HB3 4.000 . 5.000 3.716 3.682 3.746 . 0 0 "[ . 1 . 2 . 3]" 1 856 1 53 LEU HB3 1 55 ASP H 3.000 . 3.500 3.108 2.805 3.257 . 0 0 "[ . 1 . 2 . 3]" 1 857 1 53 LEU HB2 1 55 ASP H 4.000 . 5.000 4.199 3.941 4.470 . 0 0 "[ . 1 . 2 . 3]" 1 858 1 53 LEU HG 1 55 ASP H 5.000 3.000 6.000 5.952 5.687 6.043 0.043 21 0 "[ . 1 . 2 . 3]" 1 859 1 53 LEU MD1 1 56 GLY H 5.000 . 7.500 5.925 5.734 6.074 . 0 0 "[ . 1 . 2 . 3]" 1 860 1 53 LEU MD1 1 55 ASP H 4.000 . 6.500 4.869 4.599 5.034 . 0 0 "[ . 1 . 2 . 3]" 1 861 1 53 LEU HA 1 54 HIS HD2 4.000 . 5.000 4.431 3.200 5.016 0.016 7 0 "[ . 1 . 2 . 3]" 1 862 1 53 LEU MD1 1 58 ALA HA 3.000 . 4.800 2.567 2.331 2.857 . 0 0 "[ . 1 . 2 . 3]" 1 863 1 53 LEU HA 1 54 HIS QB 4.000 . 6.000 4.412 4.336 4.464 . 0 0 "[ . 1 . 2 . 3]" 1 864 1 53 LEU MD1 1 58 ALA MB 3.000 . 6.300 2.152 2.039 2.224 . 0 0 "[ . 1 . 2 . 3]" 1 865 1 53 LEU MD1 1 59 ASP H 4.000 . 6.500 3.871 3.565 4.254 . 0 0 "[ . 1 . 2 . 3]" 1 866 1 53 LEU HB3 1 58 ALA MB 4.000 . 6.500 4.246 4.003 4.402 . 0 0 "[ . 1 . 2 . 3]" 1 867 1 54 HIS HA 1 54 HIS HD2 4.000 . 5.000 2.798 2.278 4.371 . 0 0 "[ . 1 . 2 . 3]" 1 868 1 54 HIS HB3 1 54 HIS HD2 4.000 . 5.000 3.651 3.449 4.003 . 0 0 "[ . 1 . 2 . 3]" 1 869 1 54 HIS HB2 1 54 HIS HD2 4.000 . 5.000 3.613 2.765 3.953 . 0 0 "[ . 1 . 2 . 3]" 1 870 1 54 HIS H 1 54 HIS HB3 4.000 . 5.000 3.609 3.584 3.664 . 0 0 "[ . 1 . 2 . 3]" 1 871 1 54 HIS H 1 54 HIS HB2 4.000 . 5.000 2.425 2.353 2.477 . 0 0 "[ . 1 . 2 . 3]" 1 872 1 54 HIS HA 1 55 ASP QB 4.000 . 6.000 5.176 5.109 5.248 . 0 0 "[ . 1 . 2 . 3]" 1 873 1 54 HIS HB3 1 55 ASP H 4.000 . 5.000 3.657 3.548 4.100 . 0 0 "[ . 1 . 2 . 3]" 1 874 1 54 HIS HB2 1 55 ASP H 4.000 . 5.000 2.724 2.620 3.207 . 0 0 "[ . 1 . 2 . 3]" 1 875 1 55 ASP H 1 55 ASP QB 3.000 . 4.100 2.752 2.686 2.823 . 0 0 "[ . 1 . 2 . 3]" 1 876 1 55 ASP QB 1 56 GLY H 2.500 . 3.900 2.290 1.959 2.543 . 0 0 "[ . 1 . 2 . 3]" 1 877 1 57 ILE HB 1 57 ILE MD 3.000 . 4.800 2.290 2.260 2.345 . 0 0 "[ . 1 . 2 . 3]" 1 878 1 57 ILE HA 1 57 ILE HG13 4.000 . 5.600 2.932 2.907 2.944 . 0 0 "[ . 1 . 2 . 3]" 1 879 1 57 ILE HA 1 57 ILE HG12 4.000 . 5.600 2.591 2.570 2.603 . 0 0 "[ . 1 . 2 . 3]" 1 880 1 57 ILE HA 1 57 ILE MD 4.000 . 6.500 3.844 3.833 3.853 . 0 0 "[ . 1 . 2 . 3]" 1 881 1 57 ILE HA 1 57 ILE MG 2.500 . 3.800 2.323 2.300 2.340 . 0 0 "[ . 1 . 2 . 3]" 1 882 1 57 ILE H 1 57 ILE HB 2.500 . 2.900 2.497 2.478 2.517 . 0 0 "[ . 1 . 2 . 3]" 1 883 1 57 ILE H 1 57 ILE HG13 3.000 . 4.500 2.439 2.398 2.522 . 0 0 "[ . 1 . 2 . 3]" 1 884 1 57 ILE H 1 57 ILE HG12 3.000 . 4.500 3.759 3.726 3.824 . 0 0 "[ . 1 . 2 . 3]" 1 885 1 57 ILE H 1 57 ILE MD 4.000 . 6.500 3.586 3.562 3.637 . 0 0 "[ . 1 . 2 . 3]" 1 886 1 57 ILE H 1 57 ILE MG 4.000 . 6.500 3.801 3.792 3.811 . 0 0 "[ . 1 . 2 . 3]" 1 887 1 57 ILE HG13 1 58 ALA H 4.000 . 6.000 5.002 4.972 5.043 . 0 0 "[ . 1 . 2 . 3]" 1 888 1 57 ILE HG12 1 58 ALA H 4.000 . 6.000 4.427 4.353 4.509 . 0 0 "[ . 1 . 2 . 3]" 1 889 1 57 ILE MG 1 58 ALA H 4.000 . 6.500 2.551 2.404 2.737 . 0 0 "[ . 1 . 2 . 3]" 1 890 1 57 ILE HB 1 58 ALA H 4.000 . 5.000 4.136 4.051 4.246 . 0 0 "[ . 1 . 2 . 3]" 1 891 1 57 ILE MG 1 58 ALA HA 4.000 . 6.500 3.837 3.784 3.872 . 0 0 "[ . 1 . 2 . 3]" 1 892 1 57 ILE HA 1 61 MET ME 3.000 . 4.800 3.692 3.332 3.843 . 0 0 "[ . 1 . 2 . 3]" 1 893 1 57 ILE HG13 1 61 MET ME 4.000 . 7.500 5.121 4.710 5.552 . 0 0 "[ . 1 . 2 . 3]" 1 894 1 57 ILE HG12 1 61 MET ME 4.000 . 7.500 3.764 3.329 4.331 . 0 0 "[ . 1 . 2 . 3]" 1 895 1 57 ILE MD 1 61 MET ME 4.000 . 8.000 4.403 3.925 5.140 . 0 0 "[ . 1 . 2 . 3]" 1 896 1 57 ILE MG 1 61 MET QG 4.000 . 7.500 4.560 3.955 5.315 . 0 0 "[ . 1 . 2 . 3]" 1 897 1 57 ILE MG 1 61 MET ME 3.000 . 6.300 2.821 2.206 3.607 . 0 0 "[ . 1 . 2 . 3]" 1 898 1 58 ALA H 1 58 ALA MB 2.500 . 4.000 2.413 2.334 2.444 . 0 0 "[ . 1 . 2 . 3]" 1 899 1 58 ALA MB 1 59 ASP H 3.000 . 5.000 2.513 2.283 2.653 . 0 0 "[ . 1 . 2 . 3]" 1 900 1 58 ALA MB 1 60 ILE H 3.000 . 5.000 2.984 2.887 3.057 . 0 0 "[ . 1 . 2 . 3]" 1 901 1 58 ALA H 1 61 MET QG 4.000 . 6.000 5.087 4.487 5.454 . 0 0 "[ . 1 . 2 . 3]" 1 902 1 58 ALA MB 1 61 MET HA 4.000 . 6.500 3.485 3.343 3.840 . 0 0 "[ . 1 . 2 . 3]" 1 903 1 58 ALA MB 1 59 ASP HB3 4.000 . 6.500 5.228 5.101 5.312 . 0 0 "[ . 1 . 2 . 3]" 1 904 1 58 ALA H 1 61 MET ME 4.000 . 6.500 3.547 3.135 3.849 . 0 0 "[ . 1 . 2 . 3]" 1 905 1 58 ALA H 1 61 MET HB3 4.000 . 5.000 3.477 3.385 3.599 . 0 0 "[ . 1 . 2 . 3]" 1 906 1 58 ALA H 1 61 MET HB2 4.000 . 5.000 4.870 4.571 5.202 0.202 10 0 "[ . 1 . 2 . 3]" 1 907 1 59 ASP H 1 59 ASP HB2 3.000 . 3.500 2.433 2.415 2.446 . 0 0 "[ . 1 . 2 . 3]" 1 908 1 59 ASP H 1 59 ASP HB3 4.000 . 5.000 3.611 3.601 3.617 . 0 0 "[ . 1 . 2 . 3]" 1 909 1 59 ASP HB2 1 60 ILE H 3.000 . 3.500 2.447 2.421 2.482 . 0 0 "[ . 1 . 2 . 3]" 1 910 1 59 ASP HB3 1 60 ILE H 4.000 . 5.000 3.388 3.362 3.420 . 0 0 "[ . 1 . 2 . 3]" 1 911 1 59 ASP H 1 60 ILE QG 4.000 . 6.000 4.757 4.617 4.855 . 0 0 "[ . 1 . 2 . 3]" 1 912 1 59 ASP HB3 1 60 ILE MD 4.000 . 6.500 4.338 4.057 4.491 . 0 0 "[ . 1 . 2 . 3]" 1 913 1 60 ILE HA 1 60 ILE MD 4.000 . 6.500 3.837 3.820 3.852 . 0 0 "[ . 1 . 2 . 3]" 1 914 1 60 ILE H 1 60 ILE QG 4.000 . 6.000 2.643 2.496 2.741 . 0 0 "[ . 1 . 2 . 3]" 1 915 1 60 ILE HA 1 60 ILE MG 3.000 . 4.400 2.334 2.300 2.382 . 0 0 "[ . 1 . 2 . 3]" 1 916 1 60 ILE H 1 60 ILE HB 3.000 . 3.500 2.530 2.457 2.632 . 0 0 "[ . 1 . 2 . 3]" 1 917 1 60 ILE HB 1 60 ILE MD 3.000 . 4.800 2.301 2.261 2.351 . 0 0 "[ . 1 . 2 . 3]" 1 918 1 60 ILE MD 1 60 ILE MG 3.000 . 6.300 1.859 1.811 1.944 . 0 0 "[ . 1 . 2 . 3]" 1 919 1 60 ILE MG 1 62 ILE MD 3.000 . 6.300 3.388 3.016 3.867 . 0 0 "[ . 1 . 2 . 3]" 1 920 1 60 ILE MG 1 62 ILE QG 4.000 . 7.500 2.696 2.438 2.920 . 0 0 "[ . 1 . 2 . 3]" 1 921 1 60 ILE MG 1 62 ILE MG 4.000 . 8.000 4.783 4.614 5.079 . 0 0 "[ . 1 . 2 . 3]" 1 922 1 60 ILE MG 1 61 MET HA 4.000 . 6.500 3.918 3.546 3.995 . 0 0 "[ . 1 . 2 . 3]" 1 923 1 60 ILE MG 1 61 MET H 4.000 . 6.500 3.201 2.584 3.399 . 0 0 "[ . 1 . 2 . 3]" 1 924 1 60 ILE MG 1 62 ILE H 4.000 . 6.500 4.353 4.157 4.528 . 0 0 "[ . 1 . 2 . 3]" 1 925 1 60 ILE MG 1 96 ALA H 4.000 . 6.500 4.057 3.322 4.714 . 0 0 "[ . 1 . 2 . 3]" 1 926 1 60 ILE HA 1 95 ASP HA 4.000 . 5.000 3.079 2.640 3.591 . 0 0 "[ . 1 . 2 . 3]" 1 927 1 60 ILE MG 1 95 ASP HA 4.000 . 6.500 3.210 2.366 3.590 . 0 0 "[ . 1 . 2 . 3]" 1 928 1 60 ILE MG 1 96 ALA MB 4.000 . 8.000 3.069 2.536 3.608 . 0 0 "[ . 1 . 2 . 3]" 1 929 1 60 ILE HB 1 62 ILE QG 4.000 . 6.000 4.657 4.476 5.026 . 0 0 "[ . 1 . 2 . 3]" 1 930 1 60 ILE MG 1 121 PHE QE 4.000 . 6.500 2.564 2.282 4.311 . 0 0 "[ . 1 . 2 . 3]" 1 931 1 60 ILE MG 1 121 PHE HZ 4.000 . 6.500 3.823 3.403 4.478 . 0 0 "[ . 1 . 2 . 3]" 1 932 1 60 ILE MD 1 121 PHE HD2 4.000 . 6.500 6.567 5.209 6.827 0.327 7 0 "[ . 1 . 2 . 3]" 1 933 1 60 ILE MD 1 121 PHE HA 4.000 . 6.500 4.744 4.325 5.050 . 0 0 "[ . 1 . 2 . 3]" 1 934 1 60 ILE MD 1 124 SER HB3 4.000 . 6.500 4.414 3.855 4.908 . 0 0 "[ . 1 . 2 . 3]" 1 935 1 60 ILE MD 1 124 SER HB2 4.000 . 6.500 3.645 3.086 4.131 . 0 0 "[ . 1 . 2 . 3]" 1 936 1 60 ILE MD 1 62 ILE MD 4.000 . 8.000 5.083 4.703 5.323 . 0 0 "[ . 1 . 2 . 3]" 1 937 1 60 ILE HB 1 61 MET H 4.000 . 5.000 4.429 4.137 4.506 . 0 0 "[ . 1 . 2 . 3]" 1 938 1 61 MET ME 1 61 MET QG 2.500 . 5.200 2.469 2.438 2.488 . 0 0 "[ . 1 . 2 . 3]" 1 939 1 61 MET HA 1 61 MET ME 4.000 . 6.500 3.968 3.947 4.012 . 0 0 "[ . 1 . 2 . 3]" 1 940 1 61 MET H 1 61 MET HB3 3.000 . 3.500 2.956 2.759 3.279 . 0 0 "[ . 1 . 2 . 3]" 1 941 1 61 MET H 1 61 MET HB2 4.000 . 5.000 3.707 3.647 3.902 . 0 0 "[ . 1 . 2 . 3]" 1 942 1 61 MET H 1 61 MET QG 3.000 . 4.500 1.995 1.934 2.100 . 0 0 "[ . 1 . 2 . 3]" 1 943 1 61 MET H 1 95 ASP HB2 4.000 . 5.000 4.146 3.817 4.538 . 0 0 "[ . 1 . 2 . 3]" 1 944 1 61 MET HB3 1 62 ILE H 4.000 . 5.000 4.172 3.974 4.364 . 0 0 "[ . 1 . 2 . 3]" 1 945 1 61 MET HB2 1 62 ILE H 4.000 . 5.000 3.229 3.058 3.422 . 0 0 "[ . 1 . 2 . 3]" 1 946 1 61 MET HA 1 62 ILE HB 4.000 . 5.000 4.569 4.502 4.636 . 0 0 "[ . 1 . 2 . 3]" 1 947 1 61 MET HA 1 62 ILE QG 4.000 . 6.000 3.558 3.451 3.770 . 0 0 "[ . 1 . 2 . 3]" 1 948 1 61 MET HA 1 62 ILE MD 4.000 . 6.500 4.810 4.708 4.915 . 0 0 "[ . 1 . 2 . 3]" 1 949 1 62 ILE HB 1 62 ILE MD 3.000 . 4.800 2.292 2.241 2.363 . 0 0 "[ . 1 . 2 . 3]" 1 950 1 62 ILE HA 1 62 ILE MG 3.000 . 4.400 2.316 2.292 2.397 . 0 0 "[ . 1 . 2 . 3]" 1 951 1 62 ILE H 1 62 ILE HB 3.000 . 3.500 2.506 2.423 2.546 . 0 0 "[ . 1 . 2 . 3]" 1 952 1 62 ILE H 1 62 ILE MG 4.000 . 6.500 3.812 3.775 3.833 . 0 0 "[ . 1 . 2 . 3]" 1 953 1 62 ILE H 1 62 ILE QG 4.000 . 6.000 2.563 2.470 2.725 . 0 0 "[ . 1 . 2 . 3]" 1 954 1 62 ILE H 1 62 ILE MD 4.000 . 6.500 3.679 3.623 3.738 . 0 0 "[ . 1 . 2 . 3]" 1 955 1 62 ILE HB 1 63 SER H 4.000 . 5.000 4.149 4.060 4.221 . 0 0 "[ . 1 . 2 . 3]" 1 956 1 62 ILE MG 1 63 SER H 2.500 . 4.400 2.511 2.351 2.650 . 0 0 "[ . 1 . 2 . 3]" 1 957 1 62 ILE QG 1 63 SER H 4.000 . 6.000 4.133 3.986 4.217 . 0 0 "[ . 1 . 2 . 3]" 1 958 1 62 ILE MG 1 98 PHE HD1 3.000 . 4.800 2.797 2.664 3.048 . 0 0 "[ . 1 . 2 . 3]" 1 959 1 62 ILE MG 1 98 PHE HE1 3.000 . 4.800 2.278 2.242 2.355 . 0 0 "[ . 1 . 2 . 3]" 1 960 1 62 ILE MD 1 98 PHE HE1 4.000 . 6.500 3.954 3.742 4.244 . 0 0 "[ . 1 . 2 . 3]" 1 961 1 62 ILE HA 1 96 ALA MB 4.000 . 6.500 2.709 2.385 3.045 . 0 0 "[ . 1 . 2 . 3]" 1 962 1 62 ILE MG 1 96 ALA MB 4.000 . 8.000 3.018 2.548 3.385 . 0 0 "[ . 1 . 2 . 3]" 1 963 1 62 ILE QG 1 96 ALA MB 4.000 . 7.500 2.416 2.220 2.791 . 0 0 "[ . 1 . 2 . 3]" 1 964 1 62 ILE MD 1 96 ALA MB 4.000 . 8.000 3.776 3.617 4.116 . 0 0 "[ . 1 . 2 . 3]" 1 965 1 62 ILE MG 1 63 SER HA 4.000 . 6.500 3.445 3.300 3.519 . 0 0 "[ . 1 . 2 . 3]" 1 966 1 62 ILE MD 1 121 PHE QE 4.000 . 6.500 3.413 2.938 3.888 . 0 0 "[ . 1 . 2 . 3]" 1 967 1 62 ILE MD 1 121 PHE HZ 4.000 . 6.500 2.443 2.254 3.056 . 0 0 "[ . 1 . 2 . 3]" 1 968 1 62 ILE MG 1 63 SER QB 4.000 . 7.500 4.412 4.324 4.468 . 0 0 "[ . 1 . 2 . 3]" 1 969 1 63 SER QB 1 64 PHE H 2.500 . 3.900 2.684 2.567 2.824 . 0 0 "[ . 1 . 2 . 3]" 1 970 1 63 SER H 1 98 PHE HD1 4.000 . 5.000 3.180 2.931 3.387 . 0 0 "[ . 1 . 2 . 3]" 1 971 1 63 SER H 1 96 ALA MB 4.000 . 6.500 3.870 3.581 4.105 . 0 0 "[ . 1 . 2 . 3]" 1 972 1 64 PHE HA 1 64 PHE QD 4.000 . 5.000 2.908 2.855 3.074 . 0 0 "[ . 1 . 2 . 3]" 1 973 1 64 PHE H 1 64 PHE HB3 4.000 . 5.000 3.678 3.650 3.730 . 0 0 "[ . 1 . 2 . 3]" 1 974 1 64 PHE H 1 64 PHE HB2 4.000 . 5.000 2.449 2.392 2.548 . 0 0 "[ . 1 . 2 . 3]" 1 975 1 64 PHE H 1 64 PHE QD 4.000 . 5.000 2.526 2.147 2.625 . 0 0 "[ . 1 . 2 . 3]" 1 976 1 64 PHE QD 1 65 GLY H 4.000 . 5.000 4.218 3.799 4.528 . 0 0 "[ . 1 . 2 . 3]" 1 977 1 64 PHE QD 1 104 TRP HE1 4.000 . 5.000 2.928 2.376 3.666 . 0 0 "[ . 1 . 2 . 3]" 1 978 1 64 PHE HA 1 98 PHE HD1 4.000 . 5.000 3.997 3.690 4.223 . 0 0 "[ . 1 . 2 . 3]" 1 979 1 64 PHE HA 1 100 ASP HB2 4.000 . 5.000 4.174 3.892 4.512 . 0 0 "[ . 1 . 2 . 3]" 1 980 1 64 PHE HA 1 98 PHE HB2 4.000 . 5.000 2.373 2.302 2.721 . 0 0 "[ . 1 . 2 . 3]" 1 981 1 64 PHE HB3 1 65 GLY H 3.000 . 3.500 3.430 2.857 3.546 0.046 14 0 "[ . 1 . 2 . 3]" 1 982 1 64 PHE HB2 1 65 GLY H 4.000 . 5.000 4.311 3.999 4.382 . 0 0 "[ . 1 . 2 . 3]" 1 983 1 65 GLY H 1 100 ASP HB2 4.000 . 5.000 3.775 3.257 4.101 . 0 0 "[ . 1 . 2 . 3]" 1 984 1 65 GLY QA 1 66 ILE MG 4.000 . 7.500 4.835 4.001 5.013 . 0 0 "[ . 1 . 2 . 3]" 1 985 1 66 ILE HA 1 66 ILE MD 3.000 . 4.800 3.786 3.663 3.839 . 0 0 "[ . 1 . 2 . 3]" 1 986 1 66 ILE HA 1 66 ILE MG 3.000 . 4.400 2.551 2.349 3.186 . 0 0 "[ . 1 . 2 . 3]" 1 987 1 66 ILE HB 1 66 ILE MD 2.500 . 4.200 2.293 2.246 2.339 . 0 0 "[ . 1 . 2 . 3]" 1 988 1 66 ILE H 1 66 ILE HB 2.500 . 2.900 2.656 2.519 2.733 . 0 0 "[ . 1 . 2 . 3]" 1 989 1 66 ILE H 1 66 ILE MD 3.000 . 5.000 4.132 4.014 4.389 . 0 0 "[ . 1 . 2 . 3]" 1 990 1 66 ILE H 1 66 ILE QG 3.000 . 4.500 3.276 2.991 4.070 . 0 0 "[ . 1 . 2 . 3]" 1 991 1 66 ILE HB 1 67 LYS H 4.000 . 5.000 3.726 3.472 3.842 . 0 0 "[ . 1 . 2 . 3]" 1 992 1 66 ILE MG 1 67 LYS H 4.000 . 6.500 1.869 1.643 2.585 . 0 0 "[ . 1 . 2 . 3]" 1 993 1 66 ILE QG 1 101 ASP H 4.000 . 6.000 4.068 3.845 4.369 . 0 0 "[ . 1 . 2 . 3]" 1 994 1 66 ILE MD 1 101 ASP HA 4.000 . 6.500 5.400 5.117 5.508 . 0 0 "[ . 1 . 2 . 3]" 1 995 1 66 ILE MG 1 67 LYS HB3 4.000 . 6.500 2.620 2.442 2.885 . 0 0 "[ . 1 . 2 . 3]" 1 996 1 66 ILE MG 1 67 LYS HB2 4.000 . 6.500 3.207 2.878 4.037 . 0 0 "[ . 1 . 2 . 3]" 1 997 1 66 ILE MG 1 100 ASP HB3 4.000 . 6.500 4.255 4.032 4.876 . 0 0 "[ . 1 . 2 . 3]" 1 998 1 66 ILE MG 1 100 ASP HB2 4.000 . 6.500 5.363 5.237 5.520 . 0 0 "[ . 1 . 2 . 3]" 1 999 1 66 ILE HA 1 67 LYS HA 4.000 . 5.000 4.396 4.304 4.448 . 0 0 "[ . 1 . 2 . 3]" 1 1000 1 66 ILE HA 1 99 ASP HA 4.000 . 5.000 4.066 3.735 4.540 . 0 0 "[ . 1 . 2 . 3]" 1 1001 1 66 ILE HA 1 75 PHE HB2 5.000 3.000 6.000 5.785 5.090 6.370 0.370 24 0 "[ . 1 . 2 . 3]" 1 1002 1 66 ILE MG 1 67 LYS QG 3.000 . 5.800 4.140 4.013 4.262 . 0 0 "[ . 1 . 2 . 3]" 1 1003 1 66 ILE MD 1 100 ASP HB3 4.000 . 6.500 3.472 3.078 3.907 . 0 0 "[ . 1 . 2 . 3]" 1 1004 1 66 ILE MD 1 100 ASP HB2 4.000 . 6.500 4.432 3.981 4.973 . 0 0 "[ . 1 . 2 . 3]" 1 1005 1 66 ILE MG 1 67 LYS HA 4.000 . 6.500 3.825 3.715 4.134 . 0 0 "[ . 1 . 2 . 3]" 1 1006 1 66 ILE QG 1 100 ASP HB3 4.000 . 6.000 2.274 2.058 2.889 . 0 0 "[ . 1 . 2 . 3]" 1 1007 1 67 LYS QE 1 67 LYS QG 3.000 . 5.300 2.253 2.116 2.397 . 0 0 "[ . 1 . 2 . 3]" 1 1008 1 67 LYS HA 1 67 LYS HG3 3.000 . 3.900 3.051 2.331 3.247 . 0 0 "[ . 1 . 2 . 3]" 1 1009 1 67 LYS HA 1 67 LYS HG2 3.000 . 3.900 3.700 3.065 3.820 . 0 0 "[ . 1 . 2 . 3]" 1 1010 1 67 LYS HA 1 67 LYS QD 4.000 . 6.000 2.326 2.124 3.933 . 0 0 "[ . 1 . 2 . 3]" 1 1011 1 67 LYS HA 1 67 LYS QE 4.000 . 6.000 4.188 4.051 4.774 . 0 0 "[ . 1 . 2 . 3]" 1 1012 1 67 LYS H 1 67 LYS HB3 4.000 . 5.000 2.826 2.530 3.109 . 0 0 "[ . 1 . 2 . 3]" 1 1013 1 67 LYS H 1 67 LYS HB2 4.000 . 5.000 2.497 2.448 2.583 . 0 0 "[ . 1 . 2 . 3]" 1 1014 1 67 LYS H 1 67 LYS HG3 4.000 . 6.000 4.592 4.239 4.714 . 0 0 "[ . 1 . 2 . 3]" 1 1015 1 67 LYS H 1 67 LYS HG2 4.000 . 6.000 4.731 4.560 4.871 . 0 0 "[ . 1 . 2 . 3]" 1 1016 1 67 LYS H 1 67 LYS QD 4.000 . 6.000 4.041 3.926 4.615 . 0 0 "[ . 1 . 2 . 3]" 1 1017 1 67 LYS HB3 1 68 GLU H 2.500 . 2.900 1.905 1.769 2.044 0.031 24 0 "[ . 1 . 2 . 3]" 1 1018 1 67 LYS HG3 1 68 GLU H 4.000 . 6.000 2.653 2.220 3.928 . 0 0 "[ . 1 . 2 . 3]" 1 1019 1 67 LYS HG2 1 68 GLU H 4.000 . 6.000 3.394 2.057 3.697 . 0 0 "[ . 1 . 2 . 3]" 1 1020 1 67 LYS QD 1 75 PHE HB2 3.000 . 4.300 3.154 2.327 4.038 . 0 0 "[ . 1 . 2 . 3]" 1 1021 1 67 LYS QD 1 75 PHE HB3 4.000 . 6.000 4.269 3.495 5.001 . 0 0 "[ . 1 . 2 . 3]" 1 1022 1 67 LYS HA 1 75 PHE HB2 4.000 . 5.000 2.720 2.263 3.410 . 0 0 "[ . 1 . 2 . 3]" 1 1023 1 67 LYS QE 1 76 ASP HA 4.000 . 6.000 3.941 2.309 5.426 . 0 0 "[ . 1 . 2 . 3]" 1 1024 1 67 LYS QG 1 68 GLU HA 4.000 . 6.000 3.297 3.088 3.528 . 0 0 "[ . 1 . 2 . 3]" 1 1025 1 68 GLU H 1 68 GLU QB 2.500 . 3.500 2.681 2.513 2.832 . 0 0 "[ . 1 . 2 . 3]" 1 1026 1 68 GLU HA 1 74 PRO QB 4.000 . 6.000 3.247 2.223 5.248 . 0 0 "[ . 1 . 2 . 3]" 1 1027 1 68 GLU H 1 68 GLU QG 4.000 . 6.000 1.984 1.710 2.896 . 0 0 "[ . 1 . 2 . 3]" 1 1028 1 68 GLU HA 1 69 HIS H 4.000 . 5.000 2.333 2.160 3.610 . 0 0 "[ . 1 . 2 . 3]" 1 1029 1 68 GLU QB 1 69 HIS H 4.000 . 6.000 3.239 2.781 4.015 . 0 0 "[ . 1 . 2 . 3]" 1 1030 1 69 HIS HD1 1 75 PHE H 4.000 . 5.000 4.513 3.341 5.087 0.087 27 0 "[ . 1 . 2 . 3]" 1 1031 1 74 PRO HB3 1 75 PHE H 4.000 . 5.000 3.283 2.649 4.303 . 0 0 "[ . 1 . 2 . 3]" 1 1032 1 74 PRO HB2 1 75 PHE H 4.000 . 5.000 2.595 1.826 3.957 . 0 0 "[ . 1 . 2 . 3]" 1 1033 1 74 PRO HA 1 75 PHE QD 4.000 . 5.000 3.745 2.990 4.570 . 0 0 "[ . 1 . 2 . 3]" 1 1034 1 75 PHE H 1 75 PHE QD 4.000 . 5.000 2.392 2.066 2.864 . 0 0 "[ . 1 . 2 . 3]" 1 1035 1 75 PHE H 1 75 PHE HB3 4.000 . 5.000 3.640 3.596 3.671 . 0 0 "[ . 1 . 2 . 3]" 1 1036 1 75 PHE H 1 75 PHE HB2 2.500 . 2.900 2.422 2.311 2.531 . 0 0 "[ . 1 . 2 . 3]" 1 1037 1 75 PHE HB3 1 76 ASP H 3.000 . 3.500 2.446 2.010 2.836 . 0 0 "[ . 1 . 2 . 3]" 1 1038 1 75 PHE HB2 1 76 ASP H 4.000 . 5.000 3.636 3.368 3.977 . 0 0 "[ . 1 . 2 . 3]" 1 1039 1 75 PHE HB3 1 77 GLY H 4.000 . 5.000 2.587 2.435 2.853 . 0 0 "[ . 1 . 2 . 3]" 1 1040 1 75 PHE HB2 1 77 GLY H 4.000 . 5.000 3.155 2.884 3.456 . 0 0 "[ . 1 . 2 . 3]" 1 1041 1 75 PHE QE 1 83 ALA H 4.000 . 5.000 3.965 3.212 4.550 . 0 0 "[ . 1 . 2 . 3]" 1 1042 1 75 PHE HA 1 81 LEU MD1 3.000 . 4.800 3.175 2.688 3.457 . 0 0 "[ . 1 . 2 . 3]" 1 1043 1 75 PHE HA 1 81 LEU MD2 4.000 . 6.500 5.442 5.002 5.580 . 0 0 "[ . 1 . 2 . 3]" 1 1044 1 75 PHE QD 1 82 LEU HA 4.000 . 5.000 4.911 4.500 5.063 0.063 7 0 "[ . 1 . 2 . 3]" 1 1045 1 75 PHE QE 1 84 HIS H 4.000 . 5.000 4.573 4.160 4.994 . 0 0 "[ . 1 . 2 . 3]" 1 1046 1 75 PHE HZ 1 84 HIS H 4.000 . 5.000 4.729 3.872 5.094 0.094 19 0 "[ . 1 . 2 . 3]" 1 1047 1 76 ASP H 1 76 ASP HB3 4.000 . 5.000 2.818 2.708 2.907 . 0 0 "[ . 1 . 2 . 3]" 1 1048 1 76 ASP H 1 76 ASP HB2 4.000 . 5.000 3.697 3.676 3.732 . 0 0 "[ . 1 . 2 . 3]" 1 1049 1 76 ASP H 1 81 LEU HB2 4.000 . 5.000 3.746 3.462 3.985 . 0 0 "[ . 1 . 2 . 3]" 1 1050 1 76 ASP H 1 81 LEU MD1 4.000 . 6.500 4.095 3.613 4.602 . 0 0 "[ . 1 . 2 . 3]" 1 1051 1 76 ASP HB2 1 77 GLY H 4.000 . 5.000 4.377 4.268 4.486 . 0 0 "[ . 1 . 2 . 3]" 1 1052 1 77 GLY QA 1 101 ASP HB3 4.000 . 6.000 4.468 3.590 5.042 . 0 0 "[ . 1 . 2 . 3]" 1 1053 1 78 PRO HB3 1 79 SER H 4.000 . 5.000 3.666 3.532 3.913 . 0 0 "[ . 1 . 2 . 3]" 1 1054 1 78 PRO HB2 1 79 SER H 4.000 . 5.000 2.216 1.975 2.771 . 0 0 "[ . 1 . 2 . 3]" 1 1055 1 79 SER H 1 79 SER QB 2.500 . 3.500 2.544 2.468 2.613 . 0 0 "[ . 1 . 2 . 3]" 1 1056 1 79 SER QB 1 80 GLY H 2.500 . 3.900 2.510 2.122 2.668 . 0 0 "[ . 1 . 2 . 3]" 1 1057 1 79 SER HB2 1 82 LEU MD2 4.000 . 6.500 4.596 4.333 4.871 . 0 0 "[ . 1 . 2 . 3]" 1 1058 1 79 SER HA 1 82 LEU MD2 3.000 . 4.800 3.087 2.861 3.426 . 0 0 "[ . 1 . 2 . 3]" 1 1059 1 79 SER HA 1 80 GLY QA 4.000 . 6.000 4.115 4.090 4.181 . 0 0 "[ . 1 . 2 . 3]" 1 1060 1 79 SER HA 1 111 TYR HE1 4.000 . 5.000 4.954 4.606 5.094 0.094 18 0 "[ . 1 . 2 . 3]" 1 1061 1 79 SER HA 1 111 TYR HE2 4.000 . 5.000 3.309 2.896 4.029 . 0 0 "[ . 1 . 2 . 3]" 1 1062 1 79 SER QB 1 111 TYR HE1 4.000 . 6.000 4.947 4.570 5.281 . 0 0 "[ . 1 . 2 . 3]" 1 1063 1 79 SER QB 1 111 TYR HE2 4.000 . 6.000 3.987 3.528 4.901 . 0 0 "[ . 1 . 2 . 3]" 1 1064 1 80 GLY H 1 82 LEU MD2 4.000 . 6.500 3.227 2.873 3.934 . 0 0 "[ . 1 . 2 . 3]" 1 1065 1 81 LEU HA 1 81 LEU MD2 3.000 . 4.800 2.231 2.207 2.251 . 0 0 "[ . 1 . 2 . 3]" 1 1066 1 81 LEU HA 1 81 LEU MD1 4.000 . 6.500 3.797 3.757 3.823 . 0 0 "[ . 1 . 2 . 3]" 1 1067 1 81 LEU HA 1 81 LEU HG 4.000 . 5.000 2.557 2.428 2.642 . 0 0 "[ . 1 . 2 . 3]" 1 1068 1 81 LEU HB3 1 81 LEU MD1 3.000 . 4.800 2.529 2.489 2.563 . 0 0 "[ . 1 . 2 . 3]" 1 1069 1 81 LEU HB3 1 81 LEU MD2 3.000 . 4.800 2.203 2.190 2.251 . 0 0 "[ . 1 . 2 . 3]" 1 1070 1 81 LEU HB2 1 81 LEU MD1 3.000 . 4.800 2.253 2.222 2.287 . 0 0 "[ . 1 . 2 . 3]" 1 1071 1 81 LEU H 1 81 LEU HB3 4.000 . 5.000 3.548 3.489 3.589 . 0 0 "[ . 1 . 2 . 3]" 1 1072 1 81 LEU H 1 81 LEU HB2 2.500 . 2.900 2.235 2.145 2.319 . 0 0 "[ . 1 . 2 . 3]" 1 1073 1 81 LEU H 1 81 LEU MD1 4.000 . 6.500 3.404 3.338 3.497 . 0 0 "[ . 1 . 2 . 3]" 1 1074 1 81 LEU H 1 81 LEU MD2 4.000 . 6.500 4.010 3.899 4.168 . 0 0 "[ . 1 . 2 . 3]" 1 1075 1 81 LEU H 1 81 LEU HG 4.000 . 5.000 2.772 2.586 3.077 . 0 0 "[ . 1 . 2 . 3]" 1 1076 1 81 LEU HB3 1 82 LEU H 4.000 . 5.000 3.837 3.633 3.979 . 0 0 "[ . 1 . 2 . 3]" 1 1077 1 81 LEU MD1 1 82 LEU H 4.000 . 6.500 5.406 5.314 5.471 . 0 0 "[ . 1 . 2 . 3]" 1 1078 1 81 LEU MD2 1 82 LEU H 3.000 . 5.000 3.671 3.495 3.785 . 0 0 "[ . 1 . 2 . 3]" 1 1079 1 81 LEU HG 1 82 LEU H 4.000 . 5.000 4.772 4.636 4.841 . 0 0 "[ . 1 . 2 . 3]" 1 1080 1 81 LEU HG 1 83 ALA H 5.000 3.000 6.000 5.456 5.242 5.595 . 0 0 "[ . 1 . 2 . 3]" 1 1081 1 81 LEU MD2 1 83 ALA H 2.500 . 4.400 3.512 3.288 3.605 . 0 0 "[ . 1 . 2 . 3]" 1 1082 1 81 LEU MD1 1 83 ALA H 4.000 . 6.500 5.228 4.969 5.448 . 0 0 "[ . 1 . 2 . 3]" 1 1083 1 81 LEU MD2 1 84 HIS HB3 4.000 . 6.500 2.733 2.373 2.994 . 0 0 "[ . 1 . 2 . 3]" 1 1084 1 81 LEU MD2 1 84 HIS HB2 4.000 . 6.500 3.872 3.507 4.176 . 0 0 "[ . 1 . 2 . 3]" 1 1085 1 81 LEU MD2 1 84 HIS HA 4.000 . 6.500 4.213 3.817 4.420 . 0 0 "[ . 1 . 2 . 3]" 1 1086 1 82 LEU HB2 1 82 LEU MD1 3.000 . 4.800 2.335 2.256 2.387 . 0 0 "[ . 1 . 2 . 3]" 1 1087 1 82 LEU HB3 1 82 LEU MD2 3.000 . 4.800 2.285 2.226 2.311 . 0 0 "[ . 1 . 2 . 3]" 1 1088 1 82 LEU HA 1 82 LEU MD1 4.000 . 6.500 3.851 3.822 3.894 . 0 0 "[ . 1 . 2 . 3]" 1 1089 1 82 LEU HA 1 82 LEU MD2 2.500 . 4.200 2.167 2.122 2.237 . 0 0 "[ . 1 . 2 . 3]" 1 1090 1 82 LEU HA 1 82 LEU HG 4.000 . 5.000 3.138 2.936 3.225 . 0 0 "[ . 1 . 2 . 3]" 1 1091 1 82 LEU H 1 82 LEU MD1 4.000 . 6.500 3.531 3.349 3.643 . 0 0 "[ . 1 . 2 . 3]" 1 1092 1 82 LEU H 1 82 LEU MD2 4.000 . 6.500 3.190 3.010 3.550 . 0 0 "[ . 1 . 2 . 3]" 1 1093 1 82 LEU H 1 82 LEU HB3 4.000 . 5.000 3.636 3.617 3.662 . 0 0 "[ . 1 . 2 . 3]" 1 1094 1 82 LEU H 1 82 LEU HB2 4.000 . 5.000 2.583 2.504 2.650 . 0 0 "[ . 1 . 2 . 3]" 1 1095 1 82 LEU H 1 82 LEU HG 2.500 . 2.900 2.056 1.956 2.211 . 0 0 "[ . 1 . 2 . 3]" 1 1096 1 82 LEU MD1 1 83 ALA H 4.000 . 6.500 4.730 4.484 4.875 . 0 0 "[ . 1 . 2 . 3]" 1 1097 1 82 LEU MD2 1 83 ALA H 4.000 . 6.500 4.584 4.468 4.791 . 0 0 "[ . 1 . 2 . 3]" 1 1098 1 82 LEU HB3 1 83 ALA H 4.000 . 5.000 4.072 3.839 4.222 . 0 0 "[ . 1 . 2 . 3]" 1 1099 1 82 LEU HB2 1 83 ALA H 3.000 . 3.500 3.008 2.749 3.194 . 0 0 "[ . 1 . 2 . 3]" 1 1100 1 82 LEU HG 1 83 ALA H 4.000 . 5.000 4.133 4.016 4.308 . 0 0 "[ . 1 . 2 . 3]" 1 1101 1 82 LEU MD1 1 141 TYR H 4.000 . 6.500 4.711 4.470 4.877 . 0 0 "[ . 1 . 2 . 3]" 1 1102 1 82 LEU MD1 1 141 TYR HD2 4.000 . 6.500 2.703 2.456 2.855 . 0 0 "[ . 1 . 2 . 3]" 1 1103 1 82 LEU MD1 1 111 TYR HE1 4.000 . 6.500 2.703 2.450 2.932 . 0 0 "[ . 1 . 2 . 3]" 1 1104 1 82 LEU MD2 1 111 TYR HE1 4.000 . 6.500 3.096 2.907 3.325 . 0 0 "[ . 1 . 2 . 3]" 1 1105 1 82 LEU MD2 1 111 TYR HE2 4.000 . 6.500 3.311 3.121 3.719 . 0 0 "[ . 1 . 2 . 3]" 1 1106 1 82 LEU MD1 1 111 TYR HD1 4.000 . 6.500 2.207 2.087 2.410 . 0 0 "[ . 1 . 2 . 3]" 1 1107 1 82 LEU MD2 1 111 TYR HD1 4.000 . 6.500 3.349 3.059 3.609 . 0 0 "[ . 1 . 2 . 3]" 1 1108 1 82 LEU MD2 1 111 TYR HD2 4.000 . 6.500 3.275 2.983 3.656 . 0 0 "[ . 1 . 2 . 3]" 1 1109 1 82 LEU MD1 1 141 TYR HA 4.000 . 6.500 4.533 4.329 4.663 . 0 0 "[ . 1 . 2 . 3]" 1 1110 1 82 LEU MD1 1 111 TYR HA 4.000 . 6.500 4.149 4.017 4.502 . 0 0 "[ . 1 . 2 . 3]" 1 1111 1 82 LEU MD1 1 141 TYR HB3 4.000 . 6.500 3.573 3.418 3.712 . 0 0 "[ . 1 . 2 . 3]" 1 1112 1 82 LEU MD2 1 141 TYR HB3 4.000 . 6.500 5.263 5.129 5.339 . 0 0 "[ . 1 . 2 . 3]" 1 1113 1 82 LEU MD1 1 141 TYR HB2 4.000 . 6.500 2.739 2.642 2.862 . 0 0 "[ . 1 . 2 . 3]" 1 1114 1 82 LEU MD1 1 116 VAL MG2 3.000 . 6.300 2.138 1.972 2.357 . 0 0 "[ . 1 . 2 . 3]" 1 1115 1 82 LEU HG 1 116 VAL MG2 4.000 . 6.500 4.027 3.774 4.373 . 0 0 "[ . 1 . 2 . 3]" 1 1116 1 82 LEU HB3 1 104 TRP HH2 4.000 . 5.000 2.539 2.330 2.996 . 0 0 "[ . 1 . 2 . 3]" 1 1117 1 82 LEU HB3 1 104 TRP HZ2 4.000 . 5.000 4.324 4.042 4.929 . 0 0 "[ . 1 . 2 . 3]" 1 1118 1 82 LEU HB3 1 116 VAL MG2 4.000 . 6.500 2.405 2.255 2.640 . 0 0 "[ . 1 . 2 . 3]" 1 1119 1 83 ALA H 1 83 ALA MB 3.000 . 4.600 2.890 2.869 2.911 . 0 0 "[ . 1 . 2 . 3]" 1 1120 1 83 ALA H 1 116 VAL MG1 4.000 . 6.500 3.914 3.697 4.151 . 0 0 "[ . 1 . 2 . 3]" 1 1121 1 83 ALA MB 1 84 HIS H 3.000 . 5.000 2.273 2.149 2.474 . 0 0 "[ . 1 . 2 . 3]" 1 1122 1 83 ALA MB 1 98 PHE H 4.000 . 6.500 4.471 4.365 4.573 . 0 0 "[ . 1 . 2 . 3]" 1 1123 1 83 ALA MB 1 99 ASP H 4.000 . 6.500 3.430 3.237 3.576 . 0 0 "[ . 1 . 2 . 3]" 1 1124 1 83 ALA MB 1 116 VAL MG1 3.000 . 6.300 2.018 1.905 2.299 . 0 0 "[ . 1 . 2 . 3]" 1 1125 1 83 ALA MB 1 98 PHE HE2 4.000 . 6.500 3.586 3.272 3.854 . 0 0 "[ . 1 . 2 . 3]" 1 1126 1 83 ALA MB 1 98 PHE HD2 4.000 . 6.500 3.076 2.668 3.427 . 0 0 "[ . 1 . 2 . 3]" 1 1127 1 83 ALA MB 1 98 PHE HA 4.000 . 6.500 2.263 2.215 2.315 . 0 0 "[ . 1 . 2 . 3]" 1 1128 1 83 ALA MB 1 98 PHE HB3 4.000 . 6.500 3.716 3.462 3.933 . 0 0 "[ . 1 . 2 . 3]" 1 1129 1 83 ALA MB 1 98 PHE HB2 4.000 . 6.500 4.417 4.301 4.517 . 0 0 "[ . 1 . 2 . 3]" 1 1130 1 83 ALA MB 1 120 GLU HB2 4.000 . 6.500 4.487 3.919 4.837 . 0 0 "[ . 1 . 2 . 3]" 1 1131 1 83 ALA MB 1 120 GLU H 4.000 . 6.500 4.909 4.654 5.102 . 0 0 "[ . 1 . 2 . 3]" 1 1132 1 83 ALA MB 1 104 TRP HZ2 4.000 . 6.500 4.054 3.695 4.429 . 0 0 "[ . 1 . 2 . 3]" 1 1133 1 83 ALA MB 1 104 TRP HH2 4.000 . 6.500 3.070 2.608 3.310 . 0 0 "[ . 1 . 2 . 3]" 1 1134 1 84 HIS H 1 84 HIS HB3 4.000 . 5.000 3.420 3.339 3.567 . 0 0 "[ . 1 . 2 . 3]" 1 1135 1 84 HIS H 1 84 HIS HB2 4.000 . 5.000 4.040 3.979 4.067 . 0 0 "[ . 1 . 2 . 3]" 1 1136 1 84 HIS H 1 85 ALA MB 4.000 . 6.500 4.481 4.336 4.684 . 0 0 "[ . 1 . 2 . 3]" 1 1137 1 84 HIS HB2 1 85 ALA H 3.000 . 3.500 2.588 2.409 2.730 . 0 0 "[ . 1 . 2 . 3]" 1 1138 1 84 HIS HB3 1 85 ALA H 4.000 . 5.000 3.916 3.796 4.023 . 0 0 "[ . 1 . 2 . 3]" 1 1139 1 84 HIS H 1 97 HIS HB2 4.000 . 5.000 3.387 3.118 3.863 . 0 0 "[ . 1 . 2 . 3]" 1 1140 1 84 HIS H 1 96 ALA HA 4.000 . 5.000 4.358 4.060 4.710 . 0 0 "[ . 1 . 2 . 3]" 1 1141 1 85 ALA H 1 85 ALA MB 3.000 . 4.600 2.633 2.530 2.753 . 0 0 "[ . 1 . 2 . 3]" 1 1142 1 85 ALA MB 1 86 PHE H 3.000 . 5.000 2.532 2.305 2.689 . 0 0 "[ . 1 . 2 . 3]" 1 1143 1 85 ALA MB 1 97 HIS H 4.000 . 6.500 3.854 3.590 4.221 . 0 0 "[ . 1 . 2 . 3]" 1 1144 1 85 ALA MB 1 123 HIS H 4.000 . 6.500 5.350 5.269 5.440 . 0 0 "[ . 1 . 2 . 3]" 1 1145 1 85 ALA MB 1 124 SER H 4.000 . 6.500 4.351 4.151 4.680 . 0 0 "[ . 1 . 2 . 3]" 1 1146 1 85 ALA HA 1 96 ALA MB 4.000 . 6.500 4.032 3.691 4.228 . 0 0 "[ . 1 . 2 . 3]" 1 1147 1 85 ALA HA 1 86 PHE QD 4.000 . 5.000 3.311 2.771 4.331 . 0 0 "[ . 1 . 2 . 3]" 1 1148 1 85 ALA MB 1 94 GLY QA 4.000 . 7.500 4.130 3.551 5.024 . 0 0 "[ . 1 . 2 . 3]" 1 1149 1 85 ALA MB 1 123 HIS HB3 4.000 . 6.500 4.271 3.878 4.598 . 0 0 "[ . 1 . 2 . 3]" 1 1150 1 85 ALA MB 1 123 HIS HB2 4.000 . 6.500 3.706 3.538 3.915 . 0 0 "[ . 1 . 2 . 3]" 1 1151 1 85 ALA MB 1 120 GLU HA 4.000 . 6.500 3.868 3.694 4.144 . 0 0 "[ . 1 . 2 . 3]" 1 1152 1 85 ALA MB 1 120 GLU HB2 3.000 . 4.800 2.731 2.532 2.959 . 0 0 "[ . 1 . 2 . 3]" 1 1153 1 85 ALA MB 1 96 ALA MB 4.000 . 8.000 2.711 2.353 3.018 . 0 0 "[ . 1 . 2 . 3]" 1 1154 1 85 ALA MB 1 96 ALA HA 4.000 . 6.500 2.455 2.304 2.772 . 0 0 "[ . 1 . 2 . 3]" 1 1155 1 86 PHE H 1 86 PHE QD 4.000 . 5.000 2.594 2.210 3.163 . 0 0 "[ . 1 . 2 . 3]" 1 1156 1 86 PHE H 1 95 ASP HB3 4.000 . 5.000 4.993 4.762 5.111 0.111 6 0 "[ . 1 . 2 . 3]" 1 1157 1 86 PHE QD 1 94 GLY H 5.000 3.000 6.000 5.039 4.546 5.445 . 0 0 "[ . 1 . 2 . 3]" 1 1158 1 86 PHE QD 1 95 ASP H 4.000 . 5.000 4.362 3.755 4.961 . 0 0 "[ . 1 . 2 . 3]" 1 1159 1 86 PHE H 1 96 ALA HA 4.000 . 5.000 4.377 4.209 4.613 . 0 0 "[ . 1 . 2 . 3]" 1 1160 1 88 PRO QB 1 89 GLY H 4.000 . 6.000 3.648 2.938 4.028 . 0 0 "[ . 1 . 2 . 3]" 1 1161 1 88 PRO HA 1 94 GLY H 4.000 . 5.000 3.491 2.842 4.238 . 0 0 "[ . 1 . 2 . 3]" 1 1162 1 89 GLY H 1 93 GLY QA 4.000 . 6.000 2.508 1.781 3.570 . 0 0 "[ . 1 . 2 . 3]" 1 1163 1 89 GLY H 1 94 GLY QA 4.000 . 6.000 3.770 3.013 4.289 . 0 0 "[ . 1 . 2 . 3]" 1 1164 1 92 TYR HA 1 92 TYR QD 4.000 . 7.000 3.021 2.711 3.716 . 0 0 "[ . 1 . 2 . 3]" 1 1165 1 92 TYR HA 1 95 ASP HB3 4.000 . 5.000 4.299 3.626 5.004 0.004 7 0 "[ . 1 . 2 . 3]" 1 1166 1 92 TYR QD 1 93 GLY QA 4.000 . 8.000 4.370 2.659 5.487 . 0 0 "[ . 1 . 2 . 3]" 1 1167 1 95 ASP H 1 95 ASP HB2 4.000 . 5.000 3.734 3.624 4.040 . 0 0 "[ . 1 . 2 . 3]" 1 1168 1 95 ASP H 1 95 ASP HB3 3.000 . 3.500 2.821 2.564 3.389 . 0 0 "[ . 1 . 2 . 3]" 1 1169 1 95 ASP HB2 1 96 ALA H 3.000 . 3.300 2.476 2.280 2.663 . 0 0 "[ . 1 . 2 . 3]" 1 1170 1 95 ASP HB3 1 96 ALA H 4.000 . 5.000 3.859 3.730 3.992 . 0 0 "[ . 1 . 2 . 3]" 1 1171 1 95 ASP HA 1 96 ALA MB 4.000 . 6.500 3.865 3.836 3.919 . 0 0 "[ . 1 . 2 . 3]" 1 1172 1 96 ALA H 1 96 ALA MB 2.500 . 4.000 2.682 2.610 2.726 . 0 0 "[ . 1 . 2 . 3]" 1 1173 1 96 ALA MB 1 97 HIS H 3.000 . 5.000 3.215 2.945 3.337 . 0 0 "[ . 1 . 2 . 3]" 1 1174 1 96 ALA MB 1 98 PHE HZ 4.000 . 6.500 3.643 3.222 3.882 . 0 0 "[ . 1 . 2 . 3]" 1 1175 1 96 ALA MB 1 98 PHE HD1 4.000 . 6.500 3.685 3.369 3.995 . 0 0 "[ . 1 . 2 . 3]" 1 1176 1 96 ALA MB 1 98 PHE HE1 3.000 . 4.800 2.272 2.080 2.515 . 0 0 "[ . 1 . 2 . 3]" 1 1177 1 96 ALA MB 1 117 ALA HA 4.000 . 6.500 5.177 5.008 5.413 . 0 0 "[ . 1 . 2 . 3]" 1 1178 1 96 ALA MB 1 120 GLU HB2 4.000 . 6.500 3.414 3.101 3.991 . 0 0 "[ . 1 . 2 . 3]" 1 1179 1 97 HIS HA 1 97 HIS HD2 4.000 . 5.000 2.721 2.389 3.965 . 0 0 "[ . 1 . 2 . 3]" 1 1180 1 97 HIS H 1 97 HIS HB3 4.000 . 5.000 3.727 3.633 3.866 . 0 0 "[ . 1 . 2 . 3]" 1 1181 1 97 HIS H 1 97 HIS HB2 4.000 . 5.000 2.558 2.375 2.871 . 0 0 "[ . 1 . 2 . 3]" 1 1182 1 97 HIS H 1 98 PHE HE1 4.000 . 5.000 4.651 4.284 5.013 0.013 30 0 "[ . 1 . 2 . 3]" 1 1183 1 97 HIS HB3 1 98 PHE H 4.000 . 5.000 2.979 2.577 3.400 . 0 0 "[ . 1 . 2 . 3]" 1 1184 1 97 HIS HB2 1 98 PHE H 4.000 . 5.000 3.965 3.578 4.269 . 0 0 "[ . 1 . 2 . 3]" 1 1185 1 97 HIS HA 1 98 PHE HD1 4.000 . 5.000 2.984 2.754 3.294 . 0 0 "[ . 1 . 2 . 3]" 1 1186 1 98 PHE HA 1 98 PHE HD2 4.000 . 5.000 3.454 3.336 3.563 . 0 0 "[ . 1 . 2 . 3]" 1 1187 1 98 PHE H 1 98 PHE HE1 4.000 . 5.000 4.999 4.743 5.119 0.119 25 0 "[ . 1 . 2 . 3]" 1 1188 1 98 PHE H 1 98 PHE HD1 3.000 . 3.500 2.612 2.326 2.746 . 0 0 "[ . 1 . 2 . 3]" 1 1189 1 98 PHE H 1 98 PHE HB3 4.000 . 5.000 3.737 3.625 3.836 . 0 0 "[ . 1 . 2 . 3]" 1 1190 1 98 PHE H 1 98 PHE HB2 4.000 . 5.000 2.539 2.349 2.696 . 0 0 "[ . 1 . 2 . 3]" 1 1191 1 98 PHE HB3 1 99 ASP H 4.000 . 5.000 2.913 2.683 3.155 . 0 0 "[ . 1 . 2 . 3]" 1 1192 1 98 PHE HB2 1 99 ASP H 4.000 . 5.000 4.049 3.901 4.221 . 0 0 "[ . 1 . 2 . 3]" 1 1193 1 98 PHE HD2 1 99 ASP H 4.000 . 5.000 4.169 3.963 4.360 . 0 0 "[ . 1 . 2 . 3]" 1 1194 1 98 PHE HE2 1 117 ALA H 4.000 . 5.000 3.424 3.252 3.726 . 0 0 "[ . 1 . 2 . 3]" 1 1195 1 98 PHE HE2 1 116 VAL MG1 4.000 . 6.500 2.353 2.255 2.880 . 0 0 "[ . 1 . 2 . 3]" 1 1196 1 98 PHE HE2 1 116 VAL MG2 4.000 . 6.500 4.447 4.098 5.050 . 0 0 "[ . 1 . 2 . 3]" 1 1197 1 98 PHE HZ 1 116 VAL MG1 4.000 . 6.500 3.616 3.276 4.435 . 0 0 "[ . 1 . 2 . 3]" 1 1198 1 98 PHE HE2 1 113 LEU MD1 4.000 . 6.500 2.399 2.248 2.795 . 0 0 "[ . 1 . 2 . 3]" 1 1199 1 98 PHE HE2 1 113 LEU MD2 4.000 . 6.500 4.845 4.643 5.165 . 0 0 "[ . 1 . 2 . 3]" 1 1200 1 98 PHE HD2 1 113 LEU MD1 4.000 . 6.500 2.811 2.651 2.978 . 0 0 "[ . 1 . 2 . 3]" 1 1201 1 98 PHE HB3 1 113 LEU MD1 4.000 . 6.500 4.111 3.918 4.356 . 0 0 "[ . 1 . 2 . 3]" 1 1202 1 98 PHE HZ 1 117 ALA HA 4.000 . 5.000 2.475 2.293 3.030 . 0 0 "[ . 1 . 2 . 3]" 1 1203 1 98 PHE HE2 1 117 ALA HA 4.000 . 5.000 3.034 2.582 3.269 . 0 0 "[ . 1 . 2 . 3]" 1 1204 1 98 PHE HE2 1 117 ALA MB 2.500 . 4.200 3.162 2.824 3.293 . 0 0 "[ . 1 . 2 . 3]" 1 1205 1 98 PHE HZ 1 117 ALA MB 2.500 . 4.200 3.256 3.095 3.423 . 0 0 "[ . 1 . 2 . 3]" 1 1206 1 98 PHE HZ 1 120 GLU HB2 4.000 . 5.000 5.029 4.660 5.202 0.202 13 0 "[ . 1 . 2 . 3]" 1 1207 1 98 PHE HD2 1 116 VAL MG1 4.000 . 6.500 3.190 2.953 3.421 . 0 0 "[ . 1 . 2 . 3]" 1 1208 1 98 PHE HD2 1 116 VAL MG2 4.000 . 6.500 4.580 4.222 4.980 . 0 0 "[ . 1 . 2 . 3]" 1 1209 1 98 PHE HD2 1 117 ALA MB 4.000 . 6.500 5.122 4.779 5.259 . 0 0 "[ . 1 . 2 . 3]" 1 1210 1 98 PHE HE2 1 113 LEU HG 4.000 . 5.000 4.340 4.149 4.659 . 0 0 "[ . 1 . 2 . 3]" 1 1211 1 98 PHE HZ 1 120 GLU H 5.000 3.000 6.000 5.258 4.909 5.933 . 0 0 "[ . 1 . 2 . 3]" 1 1212 1 98 PHE HB3 1 104 TRP HE1 4.000 . 5.000 3.777 3.324 4.176 . 0 0 "[ . 1 . 2 . 3]" 1 1213 1 99 ASP H 1 99 ASP HB2 3.000 . 3.500 2.387 2.302 2.591 . 0 0 "[ . 1 . 2 . 3]" 1 1214 1 99 ASP H 1 99 ASP HB3 4.000 . 5.000 3.625 3.596 3.663 . 0 0 "[ . 1 . 2 . 3]" 1 1215 1 99 ASP HB3 1 100 ASP H 4.000 . 5.000 3.472 3.294 3.581 . 0 0 "[ . 1 . 2 . 3]" 1 1216 1 99 ASP HB2 1 100 ASP H 4.000 . 5.000 4.353 4.218 4.429 . 0 0 "[ . 1 . 2 . 3]" 1 1217 1 99 ASP HB3 1 101 ASP H 3.000 . 3.500 2.698 2.472 2.928 . 0 0 "[ . 1 . 2 . 3]" 1 1218 1 99 ASP HB2 1 101 ASP H 4.000 . 5.000 4.016 3.793 4.207 . 0 0 "[ . 1 . 2 . 3]" 1 1219 1 99 ASP HB2 1 102 GLU H 4.000 . 5.000 3.652 3.283 3.945 . 0 0 "[ . 1 . 2 . 3]" 1 1220 1 99 ASP HB3 1 102 GLU H 4.000 . 5.000 3.161 2.849 3.611 . 0 0 "[ . 1 . 2 . 3]" 1 1221 1 99 ASP HB3 1 102 GLU QG 4.000 . 6.000 2.936 2.259 4.331 . 0 0 "[ . 1 . 2 . 3]" 1 1222 1 99 ASP H 1 104 TRP HZ2 3.000 . 3.500 2.067 1.797 2.417 0.003 27 0 "[ . 1 . 2 . 3]" 1 1223 1 99 ASP H 1 104 TRP HH2 3.000 . 3.500 3.515 3.336 3.617 0.117 26 0 "[ . 1 . 2 . 3]" 1 1224 1 100 ASP H 1 100 ASP HB3 3.000 . 3.500 2.685 2.626 2.759 . 0 0 "[ . 1 . 2 . 3]" 1 1225 1 100 ASP H 1 100 ASP HB2 3.000 . 3.500 2.534 2.450 2.606 . 0 0 "[ . 1 . 2 . 3]" 1 1226 1 100 ASP HB3 1 101 ASP H 4.000 . 5.000 3.389 3.237 3.597 . 0 0 "[ . 1 . 2 . 3]" 1 1227 1 100 ASP HB2 1 101 ASP H 4.000 . 5.000 4.167 4.029 4.298 . 0 0 "[ . 1 . 2 . 3]" 1 1228 1 100 ASP HA 1 104 TRP HD1 4.000 . 5.000 3.614 3.374 4.026 . 0 0 "[ . 1 . 2 . 3]" 1 1229 1 100 ASP HA 1 104 TRP HE1 2.500 . 2.700 2.455 2.116 2.719 0.019 7 0 "[ . 1 . 2 . 3]" 1 1230 1 100 ASP HB2 1 104 TRP HE1 4.000 . 5.000 4.757 4.401 5.023 0.023 7 0 "[ . 1 . 2 . 3]" 1 1231 1 101 ASP H 1 101 ASP HB3 4.000 . 5.000 3.617 3.607 3.624 . 0 0 "[ . 1 . 2 . 3]" 1 1232 1 101 ASP H 1 101 ASP HB2 3.000 . 3.500 2.374 2.360 2.389 . 0 0 "[ . 1 . 2 . 3]" 1 1233 1 101 ASP HB3 1 102 GLU H 4.000 . 5.000 4.043 3.959 4.107 . 0 0 "[ . 1 . 2 . 3]" 1 1234 1 101 ASP HB2 1 102 GLU H 4.000 . 5.000 3.253 3.121 3.351 . 0 0 "[ . 1 . 2 . 3]" 1 1235 1 102 GLU H 1 102 GLU HB3 4.000 . 5.000 3.648 3.593 3.686 . 0 0 "[ . 1 . 2 . 3]" 1 1236 1 102 GLU H 1 102 GLU HB2 4.000 . 5.000 2.454 2.301 2.690 . 0 0 "[ . 1 . 2 . 3]" 1 1237 1 102 GLU H 1 102 GLU QG 3.000 . 4.500 2.665 2.010 3.575 . 0 0 "[ . 1 . 2 . 3]" 1 1238 1 102 GLU HB3 1 103 THR H 3.000 . 3.500 2.352 2.165 2.487 . 0 0 "[ . 1 . 2 . 3]" 1 1239 1 102 GLU HB2 1 103 THR H 4.000 . 5.000 3.512 3.081 3.711 . 0 0 "[ . 1 . 2 . 3]" 1 1240 1 102 GLU HB2 1 104 TRP H 4.000 . 5.000 4.965 4.612 5.122 0.122 7 0 "[ . 1 . 2 . 3]" 1 1241 1 102 GLU QG 1 103 THR H 3.000 . 4.500 3.854 3.488 4.273 . 0 0 "[ . 1 . 2 . 3]" 1 1242 1 102 GLU HA 1 111 TYR HD2 4.000 . 5.000 4.782 4.431 5.021 0.021 1 0 "[ . 1 . 2 . 3]" 1 1243 1 102 GLU HB3 1 111 TYR HE2 4.000 . 5.000 4.098 3.524 4.569 . 0 0 "[ . 1 . 2 . 3]" 1 1244 1 102 GLU H 1 104 TRP HE1 4.000 . 5.000 3.446 3.194 3.823 . 0 0 "[ . 1 . 2 . 3]" 1 1245 1 102 GLU HG3 1 104 TRP HE1 4.000 . 6.000 5.308 4.827 6.077 0.077 9 0 "[ . 1 . 2 . 3]" 1 1246 1 102 GLU HG2 1 104 TRP HE1 4.000 . 6.000 5.772 4.457 6.119 0.119 29 0 "[ . 1 . 2 . 3]" 1 1247 1 102 GLU HB2 1 104 TRP HE1 3.000 . 3.500 3.253 3.060 3.565 0.065 10 0 "[ . 1 . 2 . 3]" 1 1248 1 102 GLU HB3 1 111 TYR HD2 4.000 . 5.000 2.850 2.456 3.205 . 0 0 "[ . 1 . 2 . 3]" 1 1249 1 103 THR HA 1 103 THR MG 3.000 . 4.400 2.418 2.340 2.522 . 0 0 "[ . 1 . 2 . 3]" 1 1250 1 103 THR H 1 111 TYR HB2 4.000 . 5.000 4.984 4.691 5.073 0.073 17 0 "[ . 1 . 2 . 3]" 1 1251 1 103 THR H 1 111 TYR HD2 4.000 . 5.000 3.663 3.472 3.794 . 0 0 "[ . 1 . 2 . 3]" 1 1252 1 103 THR H 1 111 TYR HE2 4.000 . 5.000 4.844 4.520 5.022 0.022 3 0 "[ . 1 . 2 . 3]" 1 1253 1 103 THR H 1 103 THR HB 2.500 . 2.900 2.413 2.348 2.499 . 0 0 "[ . 1 . 2 . 3]" 1 1254 1 103 THR H 1 103 THR MG 4.000 . 6.500 3.764 3.715 3.809 . 0 0 "[ . 1 . 2 . 3]" 1 1255 1 103 THR MG 1 104 TRP H 3.000 . 5.000 3.188 3.132 3.276 . 0 0 "[ . 1 . 2 . 3]" 1 1256 1 103 THR HB 1 104 TRP H 4.000 . 5.000 4.474 4.432 4.528 . 0 0 "[ . 1 . 2 . 3]" 1 1257 1 103 THR MG 1 111 TYR H 4.000 . 6.500 4.497 4.097 4.895 . 0 0 "[ . 1 . 2 . 3]" 1 1258 1 103 THR MG 1 110 GLY QA 4.000 . 7.500 3.574 3.073 4.166 . 0 0 "[ . 1 . 2 . 3]" 1 1259 1 103 THR HB 1 110 GLY HA3 4.000 . 6.000 3.304 2.954 3.657 . 0 0 "[ . 1 . 2 . 3]" 1 1260 1 103 THR HB 1 110 GLY HA2 4.000 . 6.000 4.620 4.249 5.067 . 0 0 "[ . 1 . 2 . 3]" 1 1261 1 103 THR HB 1 105 THR MG 4.000 . 6.500 4.539 4.234 4.782 . 0 0 "[ . 1 . 2 . 3]" 1 1262 1 103 THR MG 1 105 THR MG 3.000 . 6.300 2.976 2.756 3.285 . 0 0 "[ . 1 . 2 . 3]" 1 1263 1 103 THR HA 1 104 TRP HA 4.000 . 5.000 4.495 4.479 4.507 . 0 0 "[ . 1 . 2 . 3]" 1 1264 1 103 THR MG 1 109 LYS HG3 4.000 . 7.500 6.153 5.394 6.271 . 0 0 "[ . 1 . 2 . 3]" 1 1265 1 103 THR MG 1 109 LYS HG2 4.000 . 7.500 6.122 5.996 6.252 . 0 0 "[ . 1 . 2 . 3]" 1 1266 1 104 TRP HA 1 104 TRP HE3 4.000 . 5.000 2.715 2.441 2.937 . 0 0 "[ . 1 . 2 . 3]" 1 1267 1 104 TRP H 1 104 TRP HD1 4.000 . 5.000 2.700 2.455 2.952 . 0 0 "[ . 1 . 2 . 3]" 1 1268 1 104 TRP H 1 104 TRP HB2 3.000 . 3.500 2.478 2.440 2.510 . 0 0 "[ . 1 . 2 . 3]" 1 1269 1 104 TRP H 1 104 TRP HB3 4.000 . 5.000 3.647 3.630 3.662 . 0 0 "[ . 1 . 2 . 3]" 1 1270 1 104 TRP HB3 1 105 THR H 4.000 . 5.000 3.459 3.369 3.552 . 0 0 "[ . 1 . 2 . 3]" 1 1271 1 104 TRP HB2 1 105 THR H 4.000 . 5.000 4.265 4.212 4.318 . 0 0 "[ . 1 . 2 . 3]" 1 1272 1 104 TRP HE3 1 105 THR H 4.000 . 5.000 3.870 3.651 4.056 . 0 0 "[ . 1 . 2 . 3]" 1 1273 1 104 TRP HA 1 111 TYR H 4.000 . 5.000 4.409 4.093 4.813 . 0 0 "[ . 1 . 2 . 3]" 1 1274 1 104 TRP HE3 1 113 LEU MD1 4.000 . 6.500 2.475 2.277 2.742 . 0 0 "[ . 1 . 2 . 3]" 1 1275 1 104 TRP HE3 1 113 LEU MD2 4.000 . 6.500 4.231 4.018 4.439 . 0 0 "[ . 1 . 2 . 3]" 1 1276 1 104 TRP HA 1 113 LEU MD1 4.000 . 6.500 4.468 4.218 4.645 . 0 0 "[ . 1 . 2 . 3]" 1 1277 1 104 TRP HB3 1 113 LEU MD1 4.000 . 6.500 3.113 2.840 3.285 . 0 0 "[ . 1 . 2 . 3]" 1 1278 1 104 TRP HB2 1 113 LEU MD1 4.000 . 6.500 4.420 4.169 4.590 . 0 0 "[ . 1 . 2 . 3]" 1 1279 1 104 TRP HA 1 105 THR MG 4.000 . 6.500 3.719 3.549 3.820 . 0 0 "[ . 1 . 2 . 3]" 1 1280 1 104 TRP HA 1 113 LEU HA 4.000 . 5.000 4.730 4.500 4.889 . 0 0 "[ . 1 . 2 . 3]" 1 1281 1 104 TRP HA 1 113 LEU HB2 4.000 . 5.000 4.000 3.690 4.226 . 0 0 "[ . 1 . 2 . 3]" 1 1282 1 104 TRP HA 1 111 TYR HB2 4.000 . 5.000 4.376 4.068 4.773 . 0 0 "[ . 1 . 2 . 3]" 1 1283 1 104 TRP HE3 1 113 LEU HA 4.000 . 5.000 2.372 2.301 2.647 . 0 0 "[ . 1 . 2 . 3]" 1 1284 1 104 TRP HE3 1 116 VAL MG2 4.000 . 6.500 4.442 4.291 4.770 . 0 0 "[ . 1 . 2 . 3]" 1 1285 1 104 TRP HZ3 1 116 VAL MG1 4.000 . 6.500 3.142 2.863 3.509 . 0 0 "[ . 1 . 2 . 3]" 1 1286 1 104 TRP HZ3 1 116 VAL MG2 4.000 . 6.500 2.458 2.265 2.884 . 0 0 "[ . 1 . 2 . 3]" 1 1287 1 104 TRP HE3 1 113 LEU H 4.000 . 5.000 3.547 3.244 3.759 . 0 0 "[ . 1 . 2 . 3]" 1 1288 1 104 TRP HH2 1 116 VAL MG1 4.000 . 6.500 2.608 2.394 2.899 . 0 0 "[ . 1 . 2 . 3]" 1 1289 1 104 TRP HZ3 1 116 VAL H 4.000 . 5.000 4.144 3.986 4.407 . 0 0 "[ . 1 . 2 . 3]" 1 1290 1 104 TRP HZ3 1 113 LEU MD1 4.000 . 6.500 3.089 2.844 3.402 . 0 0 "[ . 1 . 2 . 3]" 1 1291 1 104 TRP HZ3 1 116 VAL HB 4.000 . 5.000 2.511 2.337 2.844 . 0 0 "[ . 1 . 2 . 3]" 1 1292 1 104 TRP HH2 1 116 VAL MG2 4.000 . 6.500 2.976 2.720 3.346 . 0 0 "[ . 1 . 2 . 3]" 1 1293 1 105 THR HA 1 105 THR MG 2.500 . 3.800 3.217 3.199 3.236 . 0 0 "[ . 1 . 2 . 3]" 1 1294 1 105 THR H 1 105 THR MG 2.500 . 4.200 2.082 1.976 2.268 . 0 0 "[ . 1 . 2 . 3]" 1 1295 1 105 THR H 1 113 LEU HB2 4.000 . 5.000 3.937 3.664 4.150 . 0 0 "[ . 1 . 2 . 3]" 1 1296 1 105 THR H 1 105 THR HB 4.000 . 5.000 3.287 3.242 3.381 . 0 0 "[ . 1 . 2 . 3]" 1 1297 1 105 THR H 1 111 TYR H 4.000 . 5.000 4.792 4.486 5.055 0.055 10 0 "[ . 1 . 2 . 3]" 1 1298 1 105 THR H 1 113 LEU H 4.000 . 5.000 3.210 3.126 3.332 . 0 0 "[ . 1 . 2 . 3]" 1 1299 1 105 THR MG 1 106 SER H 4.000 . 6.500 3.689 3.592 3.800 . 0 0 "[ . 1 . 2 . 3]" 1 1300 1 105 THR MG 1 109 LYS H 4.000 . 6.500 2.330 1.926 2.411 . 0 0 "[ . 1 . 2 . 3]" 1 1301 1 105 THR MG 1 110 GLY H 4.000 . 6.500 4.084 3.786 4.397 . 0 0 "[ . 1 . 2 . 3]" 1 1302 1 105 THR MG 1 111 TYR H 3.000 . 5.000 3.957 3.703 4.109 . 0 0 "[ . 1 . 2 . 3]" 1 1303 1 105 THR MG 1 112 ASN HA 3.000 . 4.800 2.870 2.755 3.030 . 0 0 "[ . 1 . 2 . 3]" 1 1304 1 105 THR HB 1 112 ASN HA 5.000 3.000 6.000 5.658 5.523 5.769 . 0 0 "[ . 1 . 2 . 3]" 1 1305 1 105 THR MG 1 109 LYS HB3 4.000 . 6.500 3.091 2.905 3.486 . 0 0 "[ . 1 . 2 . 3]" 1 1306 1 105 THR MG 1 109 LYS HB2 4.000 . 6.500 2.073 2.037 2.249 . 0 0 "[ . 1 . 2 . 3]" 1 1307 1 105 THR MG 1 110 GLY HA3 4.000 . 7.500 3.513 3.178 3.893 . 0 0 "[ . 1 . 2 . 3]" 1 1308 1 105 THR MG 1 110 GLY HA2 4.000 . 7.500 4.736 4.409 5.100 . 0 0 "[ . 1 . 2 . 3]" 1 1309 1 105 THR HB 1 109 LYS QG 4.000 . 6.000 5.342 4.374 5.449 . 0 0 "[ . 1 . 2 . 3]" 1 1310 1 105 THR MG 1 109 LYS QE 4.000 . 7.500 4.888 3.153 5.331 . 0 0 "[ . 1 . 2 . 3]" 1 1311 1 105 THR MG 1 109 LYS HG3 4.000 . 7.500 3.787 3.422 3.995 . 0 0 "[ . 1 . 2 . 3]" 1 1312 1 105 THR MG 1 109 LYS HG2 4.000 . 7.500 4.431 3.025 4.670 . 0 0 "[ . 1 . 2 . 3]" 1 1313 1 105 THR MG 1 109 LYS QD 3.000 . 5.800 3.741 3.564 4.441 . 0 0 "[ . 1 . 2 . 3]" 1 1314 1 105 THR H 1 113 LEU HA 4.000 . 5.000 4.999 4.844 5.081 0.081 11 0 "[ . 1 . 2 . 3]" 1 1315 1 105 THR MG 1 112 ASN HB3 4.000 . 6.500 5.294 5.186 5.378 . 0 0 "[ . 1 . 2 . 3]" 1 1316 1 105 THR MG 1 112 ASN HB2 4.000 . 6.500 4.240 4.095 4.344 . 0 0 "[ . 1 . 2 . 3]" 1 1317 1 105 THR HB 1 106 SER H 4.000 . 5.000 3.958 3.882 4.033 . 0 0 "[ . 1 . 2 . 3]" 1 1318 1 105 THR MG 1 113 LEU H 4.000 . 6.500 3.932 3.669 4.216 . 0 0 "[ . 1 . 2 . 3]" 1 1319 1 105 THR MG 1 107 SER H 4.000 . 6.500 2.851 2.734 3.251 . 0 0 "[ . 1 . 2 . 3]" 1 1320 1 106 SER H 1 106 SER QB 2.500 . 3.500 2.433 2.244 2.727 . 0 0 "[ . 1 . 2 . 3]" 1 1321 1 106 SER QB 1 107 SER H 3.000 . 4.500 3.329 3.106 3.789 . 0 0 "[ . 1 . 2 . 3]" 1 1322 1 106 SER HA 1 113 LEU HB3 4.000 . 5.000 4.278 3.807 4.680 . 0 0 "[ . 1 . 2 . 3]" 1 1323 1 106 SER HA 1 113 LEU H 4.000 . 5.000 3.780 3.497 4.081 . 0 0 "[ . 1 . 2 . 3]" 1 1324 1 107 SER HA 1 143 TYR HE1 4.000 . 5.000 4.861 4.453 5.013 0.013 13 0 "[ . 1 . 2 . 3]" 1 1325 1 107 SER QB 1 108 SER HA 4.000 . 6.000 4.540 4.114 4.833 . 0 0 "[ . 1 . 2 . 3]" 1 1326 1 108 SER QB 1 143 TYR HE2 3.000 . 4.300 3.583 3.047 3.864 . 0 0 "[ . 1 . 2 . 3]" 1 1327 1 108 SER QB 1 143 TYR HD2 4.000 . 6.000 4.219 3.912 4.567 . 0 0 "[ . 1 . 2 . 3]" 1 1328 1 108 SER HA 1 143 TYR HE1 3.000 . 3.300 2.665 2.356 3.087 . 0 0 "[ . 1 . 2 . 3]" 1 1329 1 108 SER HA 1 143 TYR HD1 4.000 . 5.000 3.507 3.341 3.747 . 0 0 "[ . 1 . 2 . 3]" 1 1330 1 109 LYS HA 1 109 LYS QD 4.000 . 6.000 3.804 2.163 4.175 . 0 0 "[ . 1 . 2 . 3]" 1 1331 1 109 LYS HA 1 109 LYS QG 3.000 . 3.900 2.398 2.275 2.981 . 0 0 "[ . 1 . 2 . 3]" 1 1332 1 109 LYS H 1 109 LYS HB2 3.000 . 3.500 2.832 2.774 2.926 . 0 0 "[ . 1 . 2 . 3]" 1 1333 1 109 LYS H 1 109 LYS HB3 4.000 . 5.000 3.904 3.880 3.943 . 0 0 "[ . 1 . 2 . 3]" 1 1334 1 109 LYS H 1 109 LYS HG3 4.000 . 6.000 3.450 3.169 4.387 . 0 0 "[ . 1 . 2 . 3]" 1 1335 1 109 LYS H 1 109 LYS HG2 4.000 . 6.000 4.161 2.860 4.325 . 0 0 "[ . 1 . 2 . 3]" 1 1336 1 109 LYS HB3 1 110 GLY H 4.000 . 5.000 2.824 2.723 2.980 . 0 0 "[ . 1 . 2 . 3]" 1 1337 1 109 LYS HB2 1 110 GLY H 4.000 . 5.000 3.947 3.823 4.021 . 0 0 "[ . 1 . 2 . 3]" 1 1338 1 109 LYS HG3 1 110 GLY H 4.000 . 6.000 4.969 4.898 5.356 . 0 0 "[ . 1 . 2 . 3]" 1 1339 1 109 LYS HG2 1 110 GLY H 4.000 . 6.000 4.172 4.021 5.056 . 0 0 "[ . 1 . 2 . 3]" 1 1340 1 111 TYR HB2 1 111 TYR HE2 4.000 . 5.000 4.692 4.677 4.712 . 0 0 "[ . 1 . 2 . 3]" 1 1341 1 111 TYR HA 1 111 TYR HE1 4.000 . 5.000 4.821 4.767 4.882 . 0 0 "[ . 1 . 2 . 3]" 1 1342 1 111 TYR HA 1 111 TYR HD1 3.000 . 3.500 2.833 2.747 2.945 . 0 0 "[ . 1 . 2 . 3]" 1 1343 1 111 TYR H 1 111 TYR HB2 3.000 . 3.500 2.509 2.461 2.547 . 0 0 "[ . 1 . 2 . 3]" 1 1344 1 111 TYR H 1 111 TYR HB3 4.000 . 5.000 3.692 3.675 3.715 . 0 0 "[ . 1 . 2 . 3]" 1 1345 1 111 TYR H 1 111 TYR HD2 3.000 . 3.500 2.476 2.354 2.609 . 0 0 "[ . 1 . 2 . 3]" 1 1346 1 111 TYR HB3 1 112 ASN H 4.000 . 5.000 3.618 3.537 3.718 . 0 0 "[ . 1 . 2 . 3]" 1 1347 1 111 TYR HD1 1 112 ASN H 4.000 . 5.000 4.519 4.418 4.656 . 0 0 "[ . 1 . 2 . 3]" 1 1348 1 111 TYR HD1 1 116 VAL MG2 4.000 . 6.500 3.834 3.537 4.065 . 0 0 "[ . 1 . 2 . 3]" 1 1349 1 111 TYR HA 1 116 VAL MG2 4.000 . 6.500 4.481 4.203 4.669 . 0 0 "[ . 1 . 2 . 3]" 1 1350 1 111 TYR HB3 1 116 VAL MG2 4.000 . 6.500 2.790 2.547 2.948 . 0 0 "[ . 1 . 2 . 3]" 1 1351 1 111 TYR HB2 1 116 VAL MG2 4.000 . 6.500 3.799 3.575 4.064 . 0 0 "[ . 1 . 2 . 3]" 1 1352 1 111 TYR HD1 1 141 TYR HD1 4.000 . 5.000 3.867 3.488 4.104 . 0 0 "[ . 1 . 2 . 3]" 1 1353 1 111 TYR HD1 1 141 TYR HD2 4.000 . 5.000 3.276 2.968 3.475 . 0 0 "[ . 1 . 2 . 3]" 1 1354 1 111 TYR HD1 1 141 TYR HE1 4.000 . 5.000 4.170 3.614 4.531 . 0 0 "[ . 1 . 2 . 3]" 1 1355 1 111 TYR HD1 1 141 TYR HE2 4.000 . 5.000 3.631 3.360 3.957 . 0 0 "[ . 1 . 2 . 3]" 1 1356 1 111 TYR HA 1 141 TYR HD1 4.000 . 5.000 4.881 4.740 5.007 0.007 28 0 "[ . 1 . 2 . 3]" 1 1357 1 111 TYR HA 1 141 TYR HD2 4.000 . 5.000 4.854 4.408 5.063 0.063 19 0 "[ . 1 . 2 . 3]" 1 1358 1 111 TYR HE1 1 141 TYR HB3 4.000 . 5.000 3.273 3.019 3.545 . 0 0 "[ . 1 . 2 . 3]" 1 1359 1 111 TYR HE1 1 141 TYR HB2 4.000 . 5.000 3.874 3.521 4.124 . 0 0 "[ . 1 . 2 . 3]" 1 1360 1 111 TYR HB2 1 141 TYR HE2 4.000 . 5.000 4.831 4.528 5.039 0.039 20 0 "[ . 1 . 2 . 3]" 1 1361 1 111 TYR HE1 1 141 TYR HD1 4.000 . 5.000 4.055 3.554 4.472 . 0 0 "[ . 1 . 2 . 3]" 1 1362 1 111 TYR HA 1 141 TYR HE1 4.000 . 5.000 3.530 3.271 3.867 . 0 0 "[ . 1 . 2 . 3]" 1 1363 1 111 TYR HA 1 141 TYR HE2 4.000 . 5.000 3.492 3.049 3.703 . 0 0 "[ . 1 . 2 . 3]" 1 1364 1 112 ASN H 1 112 ASN HB3 3.000 . 3.500 2.660 2.520 2.765 . 0 0 "[ . 1 . 2 . 3]" 1 1365 1 112 ASN H 1 112 ASN HB2 3.000 . 3.500 2.464 2.387 2.571 . 0 0 "[ . 1 . 2 . 3]" 1 1366 1 112 ASN H 1 115 LEU QB 4.000 . 6.000 3.573 3.449 3.796 . 0 0 "[ . 1 . 2 . 3]" 1 1367 1 112 ASN HB3 1 113 LEU H 4.000 . 5.000 4.071 3.970 4.196 . 0 0 "[ . 1 . 2 . 3]" 1 1368 1 112 ASN HB2 1 113 LEU H 4.000 . 5.000 4.294 4.245 4.359 . 0 0 "[ . 1 . 2 . 3]" 1 1369 1 112 ASN HB2 1 115 LEU H 4.000 . 5.000 4.261 4.188 4.364 . 0 0 "[ . 1 . 2 . 3]" 1 1370 1 112 ASN HA 1 114 PHE H 4.000 . 5.000 4.157 4.014 4.259 . 0 0 "[ . 1 . 2 . 3]" 1 1371 1 112 ASN HB2 1 143 TYR HE1 3.000 . 3.300 2.911 2.672 3.199 . 0 0 "[ . 1 . 2 . 3]" 1 1372 1 112 ASN HB3 1 143 TYR HE1 4.000 . 5.000 4.150 3.916 4.469 . 0 0 "[ . 1 . 2 . 3]" 1 1373 1 112 ASN HB2 1 115 LEU QB 4.000 . 6.000 3.881 3.751 4.116 . 0 0 "[ . 1 . 2 . 3]" 1 1374 1 112 ASN HB3 1 115 LEU HG 4.000 . 5.000 3.134 2.855 3.462 . 0 0 "[ . 1 . 2 . 3]" 1 1375 1 112 ASN HA 1 113 LEU HB3 4.000 . 5.000 4.680 4.641 4.721 . 0 0 "[ . 1 . 2 . 3]" 1 1376 1 112 ASN HB3 1 115 LEU QD 4.000 . 6.500 2.380 2.211 2.668 . 0 0 "[ . 1 . 2 . 3]" 1 1377 1 112 ASN HB2 1 115 LEU QD 4.000 . 6.500 3.435 2.988 3.711 . 0 0 "[ . 1 . 2 . 3]" 1 1378 1 112 ASN HA 1 143 TYR HE1 4.000 . 5.000 4.941 4.722 5.101 0.101 5 0 "[ . 1 . 2 . 3]" 1 1379 1 112 ASN HB3 1 141 TYR HE2 4.000 . 5.000 3.573 2.969 3.939 . 0 0 "[ . 1 . 2 . 3]" 1 1380 1 112 ASN H 1 141 TYR HE1 4.000 . 5.000 3.839 3.631 4.227 . 0 0 "[ . 1 . 2 . 3]" 1 1381 1 112 ASN H 1 141 TYR HE2 4.000 . 5.000 3.005 2.303 3.295 . 0 0 "[ . 1 . 2 . 3]" 1 1382 1 112 ASN H 1 141 TYR QD 4.000 . 7.000 4.831 4.415 5.050 . 0 0 "[ . 1 . 2 . 3]" 1 1383 1 112 ASN HB2 1 143 TYR HD1 4.000 . 5.000 2.773 2.501 3.014 . 0 0 "[ . 1 . 2 . 3]" 1 1384 1 112 ASN HB3 1 143 TYR HD1 4.000 . 5.000 3.718 3.494 3.994 . 0 0 "[ . 1 . 2 . 3]" 1 1385 1 113 LEU HA 1 113 LEU HG 4.000 . 5.000 3.106 3.058 3.141 . 0 0 "[ . 1 . 2 . 3]" 1 1386 1 113 LEU HA 1 113 LEU MD1 3.000 . 4.800 2.128 2.110 2.163 . 0 0 "[ . 1 . 2 . 3]" 1 1387 1 113 LEU HA 1 113 LEU MD2 4.000 . 6.500 3.823 3.809 3.848 . 0 0 "[ . 1 . 2 . 3]" 1 1388 1 113 LEU H 1 113 LEU MD1 3.000 . 5.000 4.046 4.030 4.068 . 0 0 "[ . 1 . 2 . 3]" 1 1389 1 113 LEU H 1 113 LEU MD2 4.000 . 6.500 4.268 4.246 4.288 . 0 0 "[ . 1 . 2 . 3]" 1 1390 1 113 LEU H 1 113 LEU HB3 4.000 . 5.000 2.524 2.506 2.541 . 0 0 "[ . 1 . 2 . 3]" 1 1391 1 113 LEU H 1 113 LEU HB2 4.000 . 5.000 2.536 2.514 2.568 . 0 0 "[ . 1 . 2 . 3]" 1 1392 1 113 LEU HB3 1 114 PHE H 4.000 . 5.000 2.549 2.456 2.634 . 0 0 "[ . 1 . 2 . 3]" 1 1393 1 113 LEU HB2 1 114 PHE H 4.000 . 5.000 3.881 3.822 3.940 . 0 0 "[ . 1 . 2 . 3]" 1 1394 1 113 LEU MD2 1 114 PHE H 4.000 . 6.500 4.259 4.165 4.353 . 0 0 "[ . 1 . 2 . 3]" 1 1395 1 113 LEU HG 1 114 PHE H 4.000 . 5.000 3.646 3.532 3.734 . 0 0 "[ . 1 . 2 . 3]" 1 1396 1 113 LEU HG 1 117 ALA H 4.000 . 5.000 4.029 3.886 4.181 . 0 0 "[ . 1 . 2 . 3]" 1 1397 1 113 LEU MD1 1 117 ALA H 4.000 . 6.500 3.450 3.249 3.645 . 0 0 "[ . 1 . 2 . 3]" 1 1398 1 113 LEU HA 1 116 VAL MG2 4.000 . 6.500 3.974 3.803 4.167 . 0 0 "[ . 1 . 2 . 3]" 1 1399 1 113 LEU HG 1 117 ALA MB 4.000 . 6.500 2.715 2.453 3.015 . 0 0 "[ . 1 . 2 . 3]" 1 1400 1 113 LEU MD2 1 114 PHE HA 4.000 . 6.500 4.703 4.618 4.776 . 0 0 "[ . 1 . 2 . 3]" 1 1401 1 113 LEU MD1 1 117 ALA MB 4.000 . 8.000 2.905 2.640 3.171 . 0 0 "[ . 1 . 2 . 3]" 1 1402 1 113 LEU MD2 1 117 ALA MB 4.000 . 8.000 3.796 3.598 4.001 . 0 0 "[ . 1 . 2 . 3]" 1 1403 1 114 PHE HB3 1 114 PHE QE 4.000 . 5.000 4.440 4.421 4.454 . 0 0 "[ . 1 . 2 . 3]" 1 1404 1 114 PHE HA 1 114 PHE QE 4.000 . 5.000 4.609 4.496 4.658 . 0 0 "[ . 1 . 2 . 3]" 1 1405 1 114 PHE HA 1 114 PHE QD 3.000 . 3.300 2.876 2.375 3.014 . 0 0 "[ . 1 . 2 . 3]" 1 1406 1 114 PHE H 1 114 PHE QD 4.000 . 5.000 4.203 4.177 4.216 . 0 0 "[ . 1 . 2 . 3]" 1 1407 1 114 PHE H 1 114 PHE HB3 2.500 . 2.900 2.545 2.450 2.580 . 0 0 "[ . 1 . 2 . 3]" 1 1408 1 114 PHE H 1 114 PHE HB2 2.500 . 2.900 2.551 2.514 2.582 . 0 0 "[ . 1 . 2 . 3]" 1 1409 1 114 PHE QD 1 115 LEU H 3.000 . 3.500 3.279 3.141 3.489 . 0 0 "[ . 1 . 2 . 3]" 1 1410 1 114 PHE QE 1 115 LEU H 5.000 3.000 6.000 5.444 5.351 5.573 . 0 0 "[ . 1 . 2 . 3]" 1 1411 1 114 PHE HB2 1 115 LEU H 4.000 . 5.000 3.951 3.892 4.007 . 0 0 "[ . 1 . 2 . 3]" 1 1412 1 114 PHE HB3 1 115 LEU H 3.000 . 3.500 2.634 2.507 2.710 . 0 0 "[ . 1 . 2 . 3]" 1 1413 1 114 PHE QD 1 115 LEU HG 4.000 . 5.000 4.984 4.810 5.129 0.129 16 0 "[ . 1 . 2 . 3]" 1 1414 1 114 PHE QE 1 115 LEU QD 4.000 . 4.800 3.392 3.202 3.524 . 0 0 "[ . 1 . 2 . 3]" 1 1415 1 114 PHE QD 1 146 LYS HB3 4.000 . 5.000 4.731 4.429 4.974 . 0 0 "[ . 1 . 2 . 3]" 1 1416 1 114 PHE QD 1 115 LEU QB 4.000 . 6.000 4.391 4.252 4.704 . 0 0 "[ . 1 . 2 . 3]" 1 1417 1 114 PHE QD 1 117 ALA MB 4.000 . 6.500 4.029 3.576 4.205 . 0 0 "[ . 1 . 2 . 3]" 1 1418 1 114 PHE QD 1 115 LEU QD 4.000 . 6.500 2.147 2.037 2.213 . 0 0 "[ . 1 . 2 . 3]" 1 1419 1 114 PHE QE 1 149 PHE QB 4.000 . 6.000 4.251 3.389 4.869 . 0 0 "[ . 1 . 2 . 3]" 1 1420 1 114 PHE QE 1 146 LYS QD 4.000 . 6.000 3.856 3.046 4.992 . 0 0 "[ . 1 . 2 . 3]" 1 1421 1 114 PHE QE 1 118 ALA MB 4.000 . 6.500 3.184 2.824 3.535 . 0 0 "[ . 1 . 2 . 3]" 1 1422 1 114 PHE HZ 1 149 PHE QB 4.000 . 6.000 4.848 3.904 5.167 . 0 0 "[ . 1 . 2 . 3]" 1 1423 1 114 PHE HB3 1 117 ALA MB 4.000 . 6.500 4.950 4.853 5.139 . 0 0 "[ . 1 . 2 . 3]" 1 1424 1 114 PHE QD 1 118 ALA MB 4.000 . 6.500 3.621 3.285 3.991 . 0 0 "[ . 1 . 2 . 3]" 1 1425 1 114 PHE HA 1 118 ALA MB 4.000 . 6.500 4.197 3.898 4.468 . 0 0 "[ . 1 . 2 . 3]" 1 1426 1 114 PHE QE 1 144 THR MG 4.000 . 6.500 4.278 3.231 5.271 . 0 0 "[ . 1 . 2 . 3]" 1 1427 1 114 PHE QE 1 149 PHE QD 4.000 . 5.000 4.085 3.430 4.424 . 0 0 "[ . 1 . 2 . 3]" 1 1428 1 115 LEU HA 1 115 LEU QD 3.000 . 4.800 1.991 1.951 2.041 . 0 0 "[ . 1 . 2 . 3]" 1 1429 1 115 LEU HA 1 115 LEU HG 4.000 . 5.000 3.642 3.627 3.669 . 0 0 "[ . 1 . 2 . 3]" 1 1430 1 115 LEU H 1 115 LEU QD 4.000 . 5.000 1.996 1.868 2.157 . 0 0 "[ . 1 . 2 . 3]" 1 1431 1 115 LEU H 1 115 LEU QB 2.500 . 3.500 2.200 2.134 2.269 . 0 0 "[ . 1 . 2 . 3]" 1 1432 1 115 LEU QD 1 116 VAL H 4.000 . 6.500 3.852 3.774 3.899 . 0 0 "[ . 1 . 2 . 3]" 1 1433 1 115 LEU QB 1 116 VAL H 2.500 . 3.900 2.486 2.291 2.546 . 0 0 "[ . 1 . 2 . 3]" 1 1434 1 115 LEU QB 1 119 HIS H 4.000 . 6.000 5.132 4.921 5.209 . 0 0 "[ . 1 . 2 . 3]" 1 1435 1 115 LEU QD 1 142 THR H 4.000 . 6.500 3.212 2.297 3.745 . 0 0 "[ . 1 . 2 . 3]" 1 1436 1 115 LEU QD 1 143 TYR H 4.000 . 6.500 4.677 4.410 4.880 . 0 0 "[ . 1 . 2 . 3]" 1 1437 1 115 LEU QB 1 116 VAL MG2 3.000 . 5.800 3.075 2.938 3.157 . 0 0 "[ . 1 . 2 . 3]" 1 1438 1 115 LEU HG 1 142 THR MG 4.000 . 6.500 4.532 4.031 4.813 . 0 0 "[ . 1 . 2 . 3]" 1 1439 1 115 LEU QD 1 143 TYR HD1 3.000 . 4.800 3.634 3.133 3.795 . 0 0 "[ . 1 . 2 . 3]" 1 1440 1 115 LEU QD 1 143 TYR HE1 4.000 . 6.500 4.013 3.596 4.562 . 0 0 "[ . 1 . 2 . 3]" 1 1441 1 115 LEU QD 1 141 TYR HA 4.000 . 6.500 4.254 3.302 4.830 . 0 0 "[ . 1 . 2 . 3]" 1 1442 1 115 LEU QD 1 136 LEU HA 4.000 . 6.500 3.833 3.536 4.245 . 0 0 "[ . 1 . 2 . 3]" 1 1443 1 115 LEU QD 1 143 TYR HA 3.000 . 4.800 2.962 2.707 3.158 . 0 0 "[ . 1 . 2 . 3]" 1 1444 1 115 LEU QD 1 143 TYR QB 4.000 . 7.500 4.350 4.133 4.524 . 0 0 "[ . 1 . 2 . 3]" 1 1445 1 115 LEU QD 1 142 THR MG 3.000 . 6.300 2.940 2.529 3.132 . 0 0 "[ . 1 . 2 . 3]" 1 1446 1 115 LEU QD 1 118 ALA MB 3.000 . 6.300 3.702 3.580 3.842 . 0 0 "[ . 1 . 2 . 3]" 1 1447 1 115 LEU QB 1 118 ALA MB 4.000 . 7.500 4.860 4.741 4.960 . 0 0 "[ . 1 . 2 . 3]" 1 1448 1 115 LEU HG 1 144 THR HB 4.000 . 5.000 4.970 4.278 5.109 0.109 17 0 "[ . 1 . 2 . 3]" 1 1449 1 115 LEU QD 1 141 TYR HD2 4.000 . 6.500 4.290 3.693 4.781 . 0 0 "[ . 1 . 2 . 3]" 1 1450 1 115 LEU QB 1 143 TYR HD1 4.000 . 6.000 4.914 4.657 5.270 . 0 0 "[ . 1 . 2 . 3]" 1 1451 1 115 LEU QD 1 144 THR MG 4.000 . 8.000 2.581 1.973 3.967 . 0 0 "[ . 1 . 2 . 3]" 1 1452 1 115 LEU HG 1 141 TYR HE2 4.000 . 5.000 3.540 2.986 3.923 . 0 0 "[ . 1 . 2 . 3]" 1 1453 1 115 LEU QB 1 141 TYR HE2 4.000 . 6.000 2.150 2.079 2.259 . 0 0 "[ . 1 . 2 . 3]" 1 1454 1 115 LEU QD 1 141 TYR HE2 4.000 . 6.500 3.747 3.583 3.905 . 0 0 "[ . 1 . 2 . 3]" 1 1455 1 115 LEU HG 1 136 LEU MD2 4.000 . 6.500 4.833 4.388 5.266 . 0 0 "[ . 1 . 2 . 3]" 1 1456 1 115 LEU QB 1 117 ALA H 4.000 . 6.000 4.600 4.470 4.693 . 0 0 "[ . 1 . 2 . 3]" 1 1457 1 115 LEU HA 1 136 LEU MD2 4.000 . 6.500 3.303 2.925 3.555 . 0 0 "[ . 1 . 2 . 3]" 1 1458 1 115 LEU QD 1 136 LEU MD2 4.000 . 8.000 2.252 2.045 2.609 . 0 0 "[ . 1 . 2 . 3]" 1 1459 1 115 LEU HG 1 143 TYR HD1 4.000 . 5.000 3.955 3.573 4.456 . 0 0 "[ . 1 . 2 . 3]" 1 1460 1 116 VAL HA 1 116 VAL MG1 2.500 . 3.800 2.403 2.339 2.438 . 0 0 "[ . 1 . 2 . 3]" 1 1461 1 116 VAL HA 1 116 VAL MG2 2.500 . 3.800 2.298 2.244 2.354 . 0 0 "[ . 1 . 2 . 3]" 1 1462 1 116 VAL H 1 116 VAL MG2 2.500 . 4.400 2.258 2.113 2.347 . 0 0 "[ . 1 . 2 . 3]" 1 1463 1 116 VAL HB 1 117 ALA H 3.000 . 3.500 2.640 2.567 2.689 . 0 0 "[ . 1 . 2 . 3]" 1 1464 1 116 VAL MG2 1 117 ALA H 3.000 . 5.000 3.934 3.819 3.971 . 0 0 "[ . 1 . 2 . 3]" 1 1465 1 116 VAL MG2 1 119 HIS H 4.000 . 6.500 5.152 5.003 5.227 . 0 0 "[ . 1 . 2 . 3]" 1 1466 1 116 VAL MG2 1 141 TYR HD2 3.000 . 4.800 2.754 2.279 3.161 . 0 0 "[ . 1 . 2 . 3]" 1 1467 1 116 VAL MG2 1 141 TYR HE2 4.000 . 6.500 2.519 2.284 3.377 . 0 0 "[ . 1 . 2 . 3]" 1 1468 1 116 VAL MG2 1 141 TYR HA 4.000 . 6.500 5.141 4.646 5.372 . 0 0 "[ . 1 . 2 . 3]" 1 1469 1 116 VAL MG2 1 141 TYR HB2 4.000 . 6.500 4.312 3.784 4.536 . 0 0 "[ . 1 . 2 . 3]" 1 1470 1 116 VAL HA 1 141 TYR HD2 4.000 . 5.000 4.408 4.017 4.978 . 0 0 "[ . 1 . 2 . 3]" 1 1471 1 116 VAL MG2 1 119 HIS HB2 4.000 . 6.500 4.795 4.457 5.152 . 0 0 "[ . 1 . 2 . 3]" 1 1472 1 116 VAL QG 1 120 GLU HA 4.000 . 7.400 5.075 4.963 5.148 . 0 0 "[ . 1 . 2 . 3]" 1 1473 1 116 VAL HB 1 117 ALA MB 4.000 . 6.500 4.127 4.011 4.177 . 0 0 "[ . 1 . 2 . 3]" 1 1474 1 116 VAL HA 1 118 ALA MB 4.000 . 6.500 5.083 4.951 5.197 . 0 0 "[ . 1 . 2 . 3]" 1 1475 1 116 VAL HA 1 119 HIS HB2 4.000 . 5.000 3.298 2.971 3.732 . 0 0 "[ . 1 . 2 . 3]" 1 1476 1 117 ALA H 1 117 ALA MB 2.500 . 4.000 2.242 2.203 2.264 . 0 0 "[ . 1 . 2 . 3]" 1 1477 1 117 ALA MB 1 121 PHE HZ 4.000 . 6.500 4.730 4.539 5.005 . 0 0 "[ . 1 . 2 . 3]" 1 1478 1 117 ALA HA 1 121 PHE QE 4.000 . 5.000 4.223 3.856 4.433 . 0 0 "[ . 1 . 2 . 3]" 1 1479 1 118 ALA H 1 118 ALA MB 2.500 . 4.000 2.198 2.139 2.244 . 0 0 "[ . 1 . 2 . 3]" 1 1480 1 118 ALA MB 1 119 HIS H 3.000 . 5.000 2.590 2.480 2.699 . 0 0 "[ . 1 . 2 . 3]" 1 1481 1 118 ALA MB 1 122 GLY H 4.000 . 6.500 4.777 4.633 4.881 . 0 0 "[ . 1 . 2 . 3]" 1 1482 1 118 ALA MB 1 149 PHE QE 4.000 . 6.500 4.993 4.529 5.367 . 0 0 "[ . 1 . 2 . 3]" 1 1483 1 118 ALA MB 1 119 HIS HA 4.000 . 6.500 3.780 3.739 3.831 . 0 0 "[ . 1 . 2 . 3]" 1 1484 1 118 ALA MB 1 119 HIS HB3 4.000 . 6.500 4.707 4.616 4.789 . 0 0 "[ . 1 . 2 . 3]" 1 1485 1 118 ALA MB 1 136 LEU HB3 4.000 . 6.500 3.132 2.791 3.320 . 0 0 "[ . 1 . 2 . 3]" 1 1486 1 118 ALA MB 1 136 LEU HB2 4.000 . 6.500 3.971 3.580 4.212 . 0 0 "[ . 1 . 2 . 3]" 1 1487 1 118 ALA HA 1 136 LEU MD1 4.000 . 6.500 4.296 4.021 4.429 . 0 0 "[ . 1 . 2 . 3]" 1 1488 1 118 ALA MB 1 136 LEU MD1 4.000 . 8.000 2.076 1.965 2.183 . 0 0 "[ . 1 . 2 . 3]" 1 1489 1 119 HIS H 1 119 HIS HB3 3.000 . 3.500 2.541 2.514 2.587 . 0 0 "[ . 1 . 2 . 3]" 1 1490 1 119 HIS H 1 119 HIS HB2 3.000 . 3.500 2.536 2.473 2.571 . 0 0 "[ . 1 . 2 . 3]" 1 1491 1 119 HIS HD2 1 120 GLU H 4.000 . 5.000 3.569 3.401 3.738 . 0 0 "[ . 1 . 2 . 3]" 1 1492 1 119 HIS HA 1 136 LEU MD1 4.000 . 6.500 4.558 4.290 4.951 . 0 0 "[ . 1 . 2 . 3]" 1 1493 1 119 HIS HA 1 136 LEU MD2 4.000 . 6.500 5.030 4.601 5.310 . 0 0 "[ . 1 . 2 . 3]" 1 1494 1 119 HIS HA 1 136 LEU HB2 4.000 . 5.000 4.308 4.075 4.637 . 0 0 "[ . 1 . 2 . 3]" 1 1495 1 119 HIS HD2 1 120 GLU HA 3.000 . 3.300 3.118 2.930 3.318 0.018 9 0 "[ . 1 . 2 . 3]" 1 1496 1 119 HIS HD2 1 120 GLU HB3 4.000 . 5.000 4.006 3.768 4.309 . 0 0 "[ . 1 . 2 . 3]" 1 1497 1 119 HIS HD2 1 123 HIS HB2 4.000 . 5.000 4.995 4.857 5.055 0.055 18 0 "[ . 1 . 2 . 3]" 1 1498 1 119 HIS HD2 1 137 MET ME 4.000 . 6.500 5.173 4.653 5.338 . 0 0 "[ . 1 . 2 . 3]" 1 1499 1 119 HIS HB2 1 136 LEU MD2 4.000 . 6.500 4.598 3.955 5.046 . 0 0 "[ . 1 . 2 . 3]" 1 1500 1 119 HIS H 1 120 GLU QG 4.000 . 6.000 4.108 3.705 4.578 . 0 0 "[ . 1 . 2 . 3]" 1 1501 1 119 HIS HB3 1 120 GLU H 3.000 . 3.500 2.416 2.320 2.481 . 0 0 "[ . 1 . 2 . 3]" 1 1502 1 119 HIS HB2 1 120 GLU H 4.000 . 5.000 3.822 3.765 3.870 . 0 0 "[ . 1 . 2 . 3]" 1 1503 1 120 GLU H 1 120 GLU QG 3.000 . 4.300 2.160 1.784 2.649 . 0 0 "[ . 1 . 2 . 3]" 1 1504 1 120 GLU H 1 120 GLU HB3 2.500 . 2.900 2.603 2.347 2.770 . 0 0 "[ . 1 . 2 . 3]" 1 1505 1 120 GLU H 1 120 GLU HB2 4.000 . 5.000 3.639 3.610 3.675 . 0 0 "[ . 1 . 2 . 3]" 1 1506 1 120 GLU HG3 1 121 PHE H 4.000 . 6.000 2.102 1.855 2.776 . 0 0 "[ . 1 . 2 . 3]" 1 1507 1 120 GLU HG2 1 121 PHE H 4.000 . 6.000 2.907 1.999 3.964 . 0 0 "[ . 1 . 2 . 3]" 1 1508 1 120 GLU HB2 1 121 PHE H 4.000 . 5.000 3.780 3.518 4.027 . 0 0 "[ . 1 . 2 . 3]" 1 1509 1 120 GLU HB2 1 124 SER H 5.000 3.000 6.000 4.982 4.739 5.272 . 0 0 "[ . 1 . 2 . 3]" 1 1510 1 120 GLU HA 1 123 HIS HB3 4.000 . 5.000 4.641 4.315 4.795 . 0 0 "[ . 1 . 2 . 3]" 1 1511 1 121 PHE HA 1 121 PHE HD2 4.000 . 5.000 4.283 3.861 4.333 . 0 0 "[ . 1 . 2 . 3]" 1 1512 1 121 PHE H 1 121 PHE QE 4.000 . 5.000 4.712 4.462 4.774 . 0 0 "[ . 1 . 2 . 3]" 1 1513 1 121 PHE H 1 121 PHE HD1 4.000 . 5.000 4.377 2.099 4.510 . 0 0 "[ . 1 . 2 . 3]" 1 1514 1 121 PHE H 1 121 PHE QB 2.500 . 3.500 2.328 2.278 2.360 . 0 0 "[ . 1 . 2 . 3]" 1 1515 1 121 PHE H 1 122 GLY QA 4.000 . 6.000 4.596 4.577 4.622 . 0 0 "[ . 1 . 2 . 3]" 1 1516 1 121 PHE QB 1 122 GLY H 4.000 . 6.000 2.646 2.621 2.685 . 0 0 "[ . 1 . 2 . 3]" 1 1517 1 121 PHE QB 1 125 LEU MD1 4.000 . 7.500 2.948 2.652 3.348 . 0 0 "[ . 1 . 2 . 3]" 1 1518 1 121 PHE QB 1 125 LEU MD2 4.000 . 7.500 4.286 4.098 4.505 . 0 0 "[ . 1 . 2 . 3]" 1 1519 1 122 GLY H 1 137 MET ME 4.000 . 6.500 4.513 4.151 4.858 . 0 0 "[ . 1 . 2 . 3]" 1 1520 1 122 GLY HA3 1 125 LEU MD1 4.000 . 7.500 3.842 3.743 3.941 . 0 0 "[ . 1 . 2 . 3]" 1 1521 1 122 GLY HA2 1 125 LEU MD1 4.000 . 7.500 2.300 2.259 2.373 . 0 0 "[ . 1 . 2 . 3]" 1 1522 1 122 GLY HA3 1 127 LEU QD 4.000 . 7.500 3.420 3.049 3.756 . 0 0 "[ . 1 . 2 . 3]" 1 1523 1 122 GLY HA2 1 127 LEU QD 4.000 . 7.500 2.750 2.363 3.047 . 0 0 "[ . 1 . 2 . 3]" 1 1524 1 122 GLY QA 1 137 MET ME 4.000 . 7.500 2.870 2.549 3.130 . 0 0 "[ . 1 . 2 . 3]" 1 1525 1 123 HIS H 1 123 HIS HD2 4.000 . 5.000 3.145 2.987 3.303 . 0 0 "[ . 1 . 2 . 3]" 1 1526 1 123 HIS H 1 123 HIS HB3 4.000 . 5.000 3.612 3.599 3.624 . 0 0 "[ . 1 . 2 . 3]" 1 1527 1 123 HIS H 1 123 HIS HB2 3.000 . 3.500 2.389 2.347 2.421 . 0 0 "[ . 1 . 2 . 3]" 1 1528 1 123 HIS HD2 1 124 SER H 4.000 . 5.000 5.007 4.946 5.044 0.044 14 0 "[ . 1 . 2 . 3]" 1 1529 1 123 HIS H 1 137 MET ME 3.000 . 5.000 3.125 2.797 3.482 . 0 0 "[ . 1 . 2 . 3]" 1 1530 1 123 HIS H 1 124 SER QB 4.000 . 6.000 4.772 4.676 4.855 . 0 0 "[ . 1 . 2 . 3]" 1 1531 1 123 HIS HB2 1 124 SER H 3.000 . 3.500 2.688 2.644 2.737 . 0 0 "[ . 1 . 2 . 3]" 1 1532 1 123 HIS HB3 1 124 SER H 4.000 . 5.000 3.571 3.522 3.621 . 0 0 "[ . 1 . 2 . 3]" 1 1533 1 123 HIS HA 1 127 LEU QB 4.000 . 6.000 3.683 3.339 3.915 . 0 0 "[ . 1 . 2 . 3]" 1 1534 1 123 HIS HD2 1 137 MET ME 4.000 . 6.500 3.782 3.278 4.117 . 0 0 "[ . 1 . 2 . 3]" 1 1535 1 123 HIS HA 1 137 MET ME 4.000 . 6.500 2.657 2.415 2.862 . 0 0 "[ . 1 . 2 . 3]" 1 1536 1 123 HIS HE1 1 129 HIS HD2 4.000 . 5.000 3.643 2.898 4.117 . 0 0 "[ . 1 . 2 . 3]" 1 1537 1 123 HIS HE1 1 128 ASP HA 4.000 . 5.000 3.624 3.348 3.952 . 0 0 "[ . 1 . 2 . 3]" 1 1538 1 123 HIS HE1 1 137 MET ME 4.000 . 6.500 2.880 2.528 3.600 . 0 0 "[ . 1 . 2 . 3]" 1 1539 1 124 SER H 1 124 SER QB 3.000 . 4.100 2.437 2.397 2.508 . 0 0 "[ . 1 . 2 . 3]" 1 1540 1 124 SER H 1 125 LEU HG 4.000 . 5.000 4.385 4.267 4.527 . 0 0 "[ . 1 . 2 . 3]" 1 1541 1 125 LEU HB3 1 125 LEU MD2 3.000 . 4.800 2.233 2.202 2.261 . 0 0 "[ . 1 . 2 . 3]" 1 1542 1 125 LEU HB2 1 125 LEU MD1 3.000 . 4.800 2.278 2.229 2.355 . 0 0 "[ . 1 . 2 . 3]" 1 1543 1 125 LEU HA 1 125 LEU MD2 3.000 . 5.000 2.169 2.129 2.215 . 0 0 "[ . 1 . 2 . 3]" 1 1544 1 125 LEU HA 1 125 LEU MD1 4.000 . 6.500 3.825 3.809 3.843 . 0 0 "[ . 1 . 2 . 3]" 1 1545 1 125 LEU H 1 125 LEU HG 2.500 . 2.900 2.540 2.415 2.688 . 0 0 "[ . 1 . 2 . 3]" 1 1546 1 125 LEU H 1 125 LEU QB 3.000 . 4.100 2.343 2.303 2.404 . 0 0 "[ . 1 . 2 . 3]" 1 1547 1 125 LEU H 1 125 LEU MD1 3.000 . 5.000 3.555 3.454 3.648 . 0 0 "[ . 1 . 2 . 3]" 1 1548 1 125 LEU H 1 125 LEU MD2 4.000 . 6.500 3.769 3.652 3.957 . 0 0 "[ . 1 . 2 . 3]" 1 1549 1 125 LEU MD2 1 126 GLY H 4.000 . 6.500 4.827 4.743 4.930 . 0 0 "[ . 1 . 2 . 3]" 1 1550 1 125 LEU QB 1 126 GLY H 4.000 . 6.000 3.337 2.615 3.426 . 0 0 "[ . 1 . 2 . 3]" 1 1551 1 125 LEU MD1 1 127 LEU H 4.000 . 6.500 4.827 4.670 4.896 . 0 0 "[ . 1 . 2 . 3]" 1 1552 1 125 LEU QB 1 127 LEU QD 4.000 . 7.500 2.698 2.540 3.182 . 0 0 "[ . 1 . 2 . 3]" 1 1553 1 125 LEU MD1 1 159 ILE MG 4.000 . 8.000 4.776 4.542 5.003 . 0 0 "[ . 1 . 2 . 3]" 1 1554 1 125 LEU MD1 1 163 TYR QE 4.000 . 6.500 4.013 3.722 4.169 . 0 0 "[ . 1 . 2 . 3]" 1 1555 1 125 LEU MD2 1 163 TYR QE 4.000 . 6.500 2.795 2.459 3.107 . 0 0 "[ . 1 . 2 . 3]" 1 1556 1 125 LEU MD1 1 127 LEU QD 4.000 . 8.000 2.850 2.671 3.082 . 0 0 "[ . 1 . 2 . 3]" 1 1557 1 125 LEU QB 1 163 TYR QE 4.000 . 6.000 2.376 2.300 2.583 . 0 0 "[ . 1 . 2 . 3]" 1 1558 1 125 LEU MD1 1 159 ILE MD 4.000 . 8.000 2.086 2.025 2.217 . 0 0 "[ . 1 . 2 . 3]" 1 1559 1 126 GLY H 1 127 LEU HG 4.000 . 5.000 4.557 4.003 4.728 . 0 0 "[ . 1 . 2 . 3]" 1 1560 1 126 GLY QA 1 162 LEU MD1 4.000 . 7.500 2.852 2.551 3.210 . 0 0 "[ . 1 . 2 . 3]" 1 1561 1 126 GLY QA 1 127 LEU HA 4.000 . 6.000 4.090 4.078 4.103 . 0 0 "[ . 1 . 2 . 3]" 1 1562 1 127 LEU HA 1 127 LEU QD 3.000 . 4.800 2.154 2.136 2.176 . 0 0 "[ . 1 . 2 . 3]" 1 1563 1 127 LEU HA 1 127 LEU HG 4.000 . 5.000 2.834 2.790 2.866 . 0 0 "[ . 1 . 2 . 3]" 1 1564 1 127 LEU H 1 127 LEU HG 2.500 . 2.900 2.612 2.557 2.687 . 0 0 "[ . 1 . 2 . 3]" 1 1565 1 127 LEU H 1 127 LEU QD 3.000 . 5.000 3.294 3.263 3.342 . 0 0 "[ . 1 . 2 . 3]" 1 1566 1 127 LEU HG 1 128 ASP H 4.000 . 5.000 4.825 4.785 4.863 . 0 0 "[ . 1 . 2 . 3]" 1 1567 1 127 LEU QB 1 128 ASP H 4.000 . 6.000 2.826 2.732 2.963 . 0 0 "[ . 1 . 2 . 3]" 1 1568 1 127 LEU QD 1 128 ASP H 4.000 . 6.500 3.197 3.106 3.265 . 0 0 "[ . 1 . 2 . 3]" 1 1569 1 127 LEU QD 1 137 MET H 5.000 . 7.500 5.382 5.157 5.650 . 0 0 "[ . 1 . 2 . 3]" 1 1570 1 127 LEU QD 1 158 GLY H 4.000 . 6.500 4.131 3.896 4.299 . 0 0 "[ . 1 . 2 . 3]" 1 1571 1 127 LEU QD 1 159 ILE H 4.000 . 6.500 2.695 2.419 2.832 . 0 0 "[ . 1 . 2 . 3]" 1 1572 1 127 LEU QD 1 159 ILE HA 4.000 . 6.500 2.523 2.332 2.677 . 0 0 "[ . 1 . 2 . 3]" 1 1573 1 127 LEU QD 1 155 ASP HB3 4.000 . 6.500 3.635 3.355 3.792 . 0 0 "[ . 1 . 2 . 3]" 1 1574 1 127 LEU QD 1 155 ASP HB2 4.000 . 6.500 4.918 4.623 5.077 . 0 0 "[ . 1 . 2 . 3]" 1 1575 1 127 LEU QD 1 155 ASP HA 4.000 . 6.500 3.495 3.153 3.688 . 0 0 "[ . 1 . 2 . 3]" 1 1576 1 127 LEU QD 1 158 GLY QA 4.000 . 7.500 2.614 2.482 2.774 . 0 0 "[ . 1 . 2 . 3]" 1 1577 1 127 LEU QD 1 137 MET HB3 4.000 . 6.500 4.904 4.725 5.056 . 0 0 "[ . 1 . 2 . 3]" 1 1578 1 127 LEU QD 1 137 MET HB2 4.000 . 6.500 4.721 4.537 4.929 . 0 0 "[ . 1 . 2 . 3]" 1 1579 1 127 LEU QD 1 159 ILE MG 4.000 . 8.000 3.492 3.342 3.598 . 0 0 "[ . 1 . 2 . 3]" 1 1580 1 127 LEU QD 1 162 LEU HG 4.000 . 6.500 3.514 3.256 3.666 . 0 0 "[ . 1 . 2 . 3]" 1 1581 1 127 LEU QD 1 162 LEU HB2 4.000 . 6.500 3.978 3.851 4.100 . 0 0 "[ . 1 . 2 . 3]" 1 1582 1 127 LEU QD 1 162 LEU HB3 4.000 . 6.500 4.801 4.736 4.912 . 0 0 "[ . 1 . 2 . 3]" 1 1583 1 127 LEU QD 1 162 LEU MD1 3.000 . 6.300 2.045 1.997 2.146 . 0 0 "[ . 1 . 2 . 3]" 1 1584 1 127 LEU QD 1 163 TYR QE 4.000 . 6.500 4.197 3.956 4.441 . 0 0 "[ . 1 . 2 . 3]" 1 1585 1 127 LEU QB 1 137 MET ME 4.000 . 7.500 2.225 2.082 2.480 . 0 0 "[ . 1 . 2 . 3]" 1 1586 1 127 LEU QD 1 137 MET ME 3.000 . 6.300 3.384 3.104 3.594 . 0 0 "[ . 1 . 2 . 3]" 1 1587 1 127 LEU HG 1 162 LEU MD1 3.000 . 4.800 2.812 2.636 2.875 . 0 0 "[ . 1 . 2 . 3]" 1 1588 1 127 LEU HG 1 162 LEU MD2 4.000 . 6.500 5.410 5.224 5.503 . 0 0 "[ . 1 . 2 . 3]" 1 1589 1 127 LEU HA 1 162 LEU MD1 4.000 . 6.500 2.988 2.655 3.237 . 0 0 "[ . 1 . 2 . 3]" 1 1590 1 127 LEU HA 1 162 LEU MD2 4.000 . 6.500 4.895 4.587 5.176 . 0 0 "[ . 1 . 2 . 3]" 1 1591 1 127 LEU HG 1 163 TYR QE 4.000 . 5.000 4.273 3.958 4.553 . 0 0 "[ . 1 . 2 . 3]" 1 1592 1 127 LEU H 1 163 TYR QE 4.000 . 7.000 5.284 5.060 5.401 . 0 0 "[ . 1 . 2 . 3]" 1 1593 1 127 LEU QD 1 159 ILE MD 4.000 . 8.000 2.146 1.982 2.308 . 0 0 "[ . 1 . 2 . 3]" 1 1594 1 127 LEU HG 1 159 ILE MD 4.000 . 6.500 3.035 2.469 3.298 . 0 0 "[ . 1 . 2 . 3]" 1 1595 1 128 ASP H 1 128 ASP HB3 4.000 . 5.000 2.693 2.627 2.727 . 0 0 "[ . 1 . 2 . 3]" 1 1596 1 128 ASP H 1 128 ASP HB2 4.000 . 5.000 2.679 2.622 2.740 . 0 0 "[ . 1 . 2 . 3]" 1 1597 1 128 ASP HB3 1 129 HIS H 4.000 . 5.000 3.237 3.032 3.375 . 0 0 "[ . 1 . 2 . 3]" 1 1598 1 128 ASP HB2 1 129 HIS H 4.000 . 5.000 3.876 3.775 3.925 . 0 0 "[ . 1 . 2 . 3]" 1 1599 1 128 ASP HA 1 137 MET ME 4.000 . 6.500 3.279 3.099 3.646 . 0 0 "[ . 1 . 2 . 3]" 1 1600 1 129 HIS H 1 129 HIS QB 3.000 . 4.100 2.400 2.364 2.436 . 0 0 "[ . 1 . 2 . 3]" 1 1601 1 129 HIS HA 1 129 HIS HD2 4.000 . 5.000 3.069 2.304 3.266 . 0 0 "[ . 1 . 2 . 3]" 1 1602 1 129 HIS QB 1 130 SER H 4.000 . 6.000 3.061 2.988 3.152 . 0 0 "[ . 1 . 2 . 3]" 1 1603 1 129 HIS QB 1 139 PRO QB 4.000 . 7.000 3.356 2.950 3.763 . 0 0 "[ . 1 . 2 . 3]" 1 1604 1 129 HIS HD2 1 139 PRO HA 4.000 . 5.000 2.617 2.343 4.091 . 0 0 "[ . 1 . 2 . 3]" 1 1605 1 129 HIS HD2 1 137 MET HA 4.000 . 5.000 4.524 3.694 5.008 0.008 29 0 "[ . 1 . 2 . 3]" 1 1606 1 129 HIS HD2 1 137 MET ME 4.000 . 6.500 4.294 2.796 4.778 . 0 0 "[ . 1 . 2 . 3]" 1 1607 1 129 HIS QB 1 130 SER HA 4.000 . 6.000 4.368 4.324 4.391 . 0 0 "[ . 1 . 2 . 3]" 1 1608 1 129 HIS HA 1 137 MET ME 4.000 . 6.500 2.841 2.700 3.025 . 0 0 "[ . 1 . 2 . 3]" 1 1609 1 130 SER H 1 130 SER HB3 4.000 . 5.000 2.471 2.364 2.574 . 0 0 "[ . 1 . 2 . 3]" 1 1610 1 130 SER H 1 130 SER HB2 4.000 . 5.000 2.892 2.794 3.016 . 0 0 "[ . 1 . 2 . 3]" 1 1611 1 130 SER H 1 135 ALA MB 4.000 . 6.500 4.256 4.141 4.434 . 0 0 "[ . 1 . 2 . 3]" 1 1612 1 130 SER H 1 137 MET HB3 4.000 . 5.000 2.621 2.380 3.059 . 0 0 "[ . 1 . 2 . 3]" 1 1613 1 130 SER H 1 137 MET HB2 4.000 . 5.000 2.707 2.441 3.089 . 0 0 "[ . 1 . 2 . 3]" 1 1614 1 130 SER HB3 1 131 LYS H 4.000 . 5.000 3.817 3.584 4.003 . 0 0 "[ . 1 . 2 . 3]" 1 1615 1 130 SER HB2 1 131 LYS H 4.000 . 5.000 3.932 3.787 4.058 . 0 0 "[ . 1 . 2 . 3]" 1 1616 1 130 SER HB3 1 132 ASP H 4.000 . 5.000 3.264 2.981 3.468 . 0 0 "[ . 1 . 2 . 3]" 1 1617 1 130 SER HB2 1 132 ASP H 4.000 . 5.000 4.128 4.031 4.214 . 0 0 "[ . 1 . 2 . 3]" 1 1618 1 130 SER HA 1 131 LYS QG 4.000 . 6.000 3.617 3.468 3.729 . 0 0 "[ . 1 . 2 . 3]" 1 1619 1 130 SER HB3 1 135 ALA MB 4.000 . 6.500 2.379 2.211 2.600 . 0 0 "[ . 1 . 2 . 3]" 1 1620 1 130 SER HB2 1 135 ALA MB 4.000 . 6.500 3.140 2.855 3.532 . 0 0 "[ . 1 . 2 . 3]" 1 1621 1 130 SER HA 1 135 ALA MB 4.000 . 6.500 4.672 4.381 4.966 . 0 0 "[ . 1 . 2 . 3]" 1 1622 1 130 SER HB3 1 138 PHE HD1 4.000 . 5.000 3.900 3.667 4.281 . 0 0 "[ . 1 . 2 . 3]" 1 1623 1 131 LYS HA 1 131 LYS QD 4.000 . 6.000 3.561 2.191 4.160 . 0 0 "[ . 1 . 2 . 3]" 1 1624 1 131 LYS HB3 1 131 LYS QE 4.000 . 6.000 3.822 2.294 4.202 . 0 0 "[ . 1 . 2 . 3]" 1 1625 1 131 LYS HB2 1 131 LYS QE 4.000 . 6.000 3.900 2.210 4.545 . 0 0 "[ . 1 . 2 . 3]" 1 1626 1 131 LYS HA 1 131 LYS HG3 4.000 . 5.600 3.144 2.784 3.785 . 0 0 "[ . 1 . 2 . 3]" 1 1627 1 131 LYS HA 1 131 LYS HG2 4.000 . 5.600 2.565 2.401 2.994 . 0 0 "[ . 1 . 2 . 3]" 1 1628 1 131 LYS H 1 131 LYS HB3 4.000 . 5.000 3.675 3.650 3.704 . 0 0 "[ . 1 . 2 . 3]" 1 1629 1 131 LYS H 1 131 LYS HB2 3.000 . 3.500 2.454 2.399 2.530 . 0 0 "[ . 1 . 2 . 3]" 1 1630 1 131 LYS H 1 131 LYS QG 4.000 . 6.000 2.605 2.403 2.712 . 0 0 "[ . 1 . 2 . 3]" 1 1631 1 131 LYS H 1 131 LYS QD 4.000 . 6.000 3.993 3.753 4.513 . 0 0 "[ . 1 . 2 . 3]" 1 1632 1 131 LYS H 1 135 ALA MB 4.000 . 6.500 4.701 4.483 4.947 . 0 0 "[ . 1 . 2 . 3]" 1 1633 1 131 LYS H 1 132 ASP HB3 4.000 . 5.000 4.597 4.460 4.739 . 0 0 "[ . 1 . 2 . 3]" 1 1634 1 131 LYS H 1 132 ASP HB2 4.000 . 5.000 4.359 4.230 4.459 . 0 0 "[ . 1 . 2 . 3]" 1 1635 1 131 LYS QG 1 132 ASP H 4.000 . 6.000 4.361 4.262 4.414 . 0 0 "[ . 1 . 2 . 3]" 1 1636 1 131 LYS HB3 1 132 ASP H 4.000 . 5.000 4.284 4.217 4.371 . 0 0 "[ . 1 . 2 . 3]" 1 1637 1 131 LYS HB2 1 132 ASP H 4.000 . 5.000 3.600 3.468 3.696 . 0 0 "[ . 1 . 2 . 3]" 1 1638 1 131 LYS HA 1 138 PHE HD1 3.000 . 3.300 3.334 3.165 3.404 0.104 15 0 "[ . 1 . 2 . 3]" 1 1639 1 132 ASP H 1 132 ASP HB3 2.500 . 2.900 2.503 2.442 2.588 . 0 0 "[ . 1 . 2 . 3]" 1 1640 1 132 ASP H 1 132 ASP HB2 2.500 . 2.900 2.711 2.581 2.787 . 0 0 "[ . 1 . 2 . 3]" 1 1641 1 132 ASP H 1 135 ALA MB 4.000 . 6.500 3.214 3.056 3.351 . 0 0 "[ . 1 . 2 . 3]" 1 1642 1 132 ASP H 1 138 PHE HE1 4.000 . 5.000 4.124 3.870 4.369 . 0 0 "[ . 1 . 2 . 3]" 1 1643 1 132 ASP H 1 138 PHE HD1 4.000 . 5.000 3.347 3.113 3.472 . 0 0 "[ . 1 . 2 . 3]" 1 1644 1 132 ASP HB3 1 134 GLY H 4.000 . 5.000 3.775 3.398 4.088 . 0 0 "[ . 1 . 2 . 3]" 1 1645 1 132 ASP HB2 1 134 GLY H 4.000 . 5.000 4.580 4.370 4.792 . 0 0 "[ . 1 . 2 . 3]" 1 1646 1 132 ASP HB3 1 135 ALA H 4.000 . 5.000 2.959 2.800 3.142 . 0 0 "[ . 1 . 2 . 3]" 1 1647 1 132 ASP HA 1 133 PRO HD3 3.000 . 4.300 2.294 2.247 2.324 . 0 0 "[ . 1 . 2 . 3]" 1 1648 1 132 ASP HA 1 133 PRO HD2 3.000 . 4.300 2.320 2.282 2.375 . 0 0 "[ . 1 . 2 . 3]" 1 1649 1 132 ASP HA 1 133 PRO QB 4.000 . 6.000 4.791 4.765 4.828 . 0 0 "[ . 1 . 2 . 3]" 1 1650 1 132 ASP HA 1 133 PRO HG3 4.000 . 6.000 4.475 4.451 4.496 . 0 0 "[ . 1 . 2 . 3]" 1 1651 1 132 ASP HA 1 133 PRO HG2 4.000 . 6.000 4.496 4.468 4.530 . 0 0 "[ . 1 . 2 . 3]" 1 1652 1 132 ASP HA 1 135 ALA MB 4.000 . 6.500 4.439 4.327 4.565 . 0 0 "[ . 1 . 2 . 3]" 1 1653 1 132 ASP HB3 1 135 ALA MB 3.000 . 4.800 2.136 2.069 2.236 . 0 0 "[ . 1 . 2 . 3]" 1 1654 1 133 PRO HB3 1 134 GLY H 4.000 . 5.000 4.354 4.254 4.470 . 0 0 "[ . 1 . 2 . 3]" 1 1655 1 133 PRO HB2 1 134 GLY H 4.000 . 5.000 3.488 3.153 3.735 . 0 0 "[ . 1 . 2 . 3]" 1 1656 1 133 PRO HG3 1 134 GLY H 4.000 . 6.000 4.444 4.256 4.747 . 0 0 "[ . 1 . 2 . 3]" 1 1657 1 133 PRO HG2 1 134 GLY H 4.000 . 6.000 3.246 2.931 4.007 . 0 0 "[ . 1 . 2 . 3]" 1 1658 1 133 PRO QB 1 135 ALA H 4.000 . 6.000 4.719 4.588 4.855 . 0 0 "[ . 1 . 2 . 3]" 1 1659 1 133 PRO QD 1 135 ALA H 4.000 . 6.000 4.376 4.265 4.517 . 0 0 "[ . 1 . 2 . 3]" 1 1660 1 133 PRO HB3 1 138 PHE HD2 4.000 . 5.000 4.941 4.531 5.085 0.085 30 0 "[ . 1 . 2 . 3]" 1 1661 1 133 PRO QD 1 135 ALA MB 4.000 . 7.500 4.898 4.758 5.036 . 0 0 "[ . 1 . 2 . 3]" 1 1662 1 133 PRO QD 1 138 PHE HD1 4.000 . 6.000 4.577 4.287 4.715 . 0 0 "[ . 1 . 2 . 3]" 1 1663 1 133 PRO QD 1 134 GLY H 3.000 . 4.500 2.732 2.642 2.949 . 0 0 "[ . 1 . 2 . 3]" 1 1664 1 134 GLY H 1 135 ALA MB 4.000 . 6.500 4.033 3.912 4.118 . 0 0 "[ . 1 . 2 . 3]" 1 1665 1 134 GLY QA 1 138 PHE HB2 4.000 . 6.000 5.287 5.110 5.407 . 0 0 "[ . 1 . 2 . 3]" 1 1666 1 135 ALA H 1 135 ALA MB 2.500 . 4.000 2.241 2.201 2.287 . 0 0 "[ . 1 . 2 . 3]" 1 1667 1 135 ALA H 1 138 PHE HB2 4.000 . 5.000 3.692 3.359 3.865 . 0 0 "[ . 1 . 2 . 3]" 1 1668 1 135 ALA MB 1 138 PHE H 4.000 . 6.500 3.580 3.308 3.747 . 0 0 "[ . 1 . 2 . 3]" 1 1669 1 135 ALA HA 1 154 ASP HB3 4.000 . 5.000 5.009 4.832 5.136 0.136 22 0 "[ . 1 . 2 . 3]" 1 1670 1 135 ALA MB 1 138 PHE HA 4.000 . 6.500 4.023 3.864 4.154 . 0 0 "[ . 1 . 2 . 3]" 1 1671 1 135 ALA MB 1 154 ASP HB3 2.500 . 4.200 3.222 3.093 3.294 . 0 0 "[ . 1 . 2 . 3]" 1 1672 1 135 ALA HA 1 149 PHE QE 4.000 . 5.000 4.656 4.449 4.852 . 0 0 "[ . 1 . 2 . 3]" 1 1673 1 135 ALA HA 1 137 MET H 4.000 . 5.000 4.071 3.979 4.201 . 0 0 "[ . 1 . 2 . 3]" 1 1674 1 135 ALA MB 1 137 MET H 4.000 . 6.500 2.697 2.514 2.903 . 0 0 "[ . 1 . 2 . 3]" 1 1675 1 135 ALA H 1 138 PHE HD1 4.000 . 5.000 4.372 4.191 4.563 . 0 0 "[ . 1 . 2 . 3]" 1 1676 1 136 LEU H 1 136 LEU HB2 3.000 . 3.500 2.430 2.373 2.521 . 0 0 "[ . 1 . 2 . 3]" 1 1677 1 136 LEU H 1 136 LEU HB3 4.000 . 5.000 3.612 3.595 3.625 . 0 0 "[ . 1 . 2 . 3]" 1 1678 1 136 LEU HA 1 136 LEU MD2 3.000 . 4.800 2.160 2.112 2.206 . 0 0 "[ . 1 . 2 . 3]" 1 1679 1 136 LEU HA 1 136 LEU MD1 4.000 . 6.500 3.827 3.808 3.850 . 0 0 "[ . 1 . 2 . 3]" 1 1680 1 136 LEU HA 1 136 LEU HG 4.000 . 5.000 2.884 2.776 3.071 . 0 0 "[ . 1 . 2 . 3]" 1 1681 1 136 LEU HB2 1 136 LEU MD1 3.000 . 4.800 2.326 2.262 2.402 . 0 0 "[ . 1 . 2 . 3]" 1 1682 1 136 LEU HB2 1 136 LEU MD2 3.000 . 4.800 3.213 3.202 3.219 . 0 0 "[ . 1 . 2 . 3]" 1 1683 1 136 LEU HB3 1 136 LEU MD1 3.000 . 4.800 2.401 2.302 2.451 . 0 0 "[ . 1 . 2 . 3]" 1 1684 1 136 LEU MD1 1 137 MET H 4.000 . 6.500 4.590 4.466 4.719 . 0 0 "[ . 1 . 2 . 3]" 1 1685 1 136 LEU HB2 1 137 MET H 3.000 . 3.300 2.749 2.594 2.906 . 0 0 "[ . 1 . 2 . 3]" 1 1686 1 136 LEU HB3 1 137 MET H 4.000 . 5.000 3.702 3.561 3.839 . 0 0 "[ . 1 . 2 . 3]" 1 1687 1 136 LEU MD1 1 149 PHE QE 3.000 . 4.800 2.227 2.141 2.344 . 0 0 "[ . 1 . 2 . 3]" 1 1688 1 136 LEU MD2 1 149 PHE QE 3.000 . 4.800 3.220 2.847 3.537 . 0 0 "[ . 1 . 2 . 3]" 1 1689 1 136 LEU MD1 1 151 LEU QD 4.000 . 8.900 2.350 2.153 3.122 . 0 0 "[ . 1 . 2 . 3]" 1 1690 1 136 LEU HB3 1 151 LEU QD 4.000 . 7.400 4.874 4.681 5.498 . 0 0 "[ . 1 . 2 . 3]" 1 1691 1 136 LEU HB2 1 151 LEU QD 4.000 . 7.400 3.813 3.566 4.507 . 0 0 "[ . 1 . 2 . 3]" 1 1692 1 136 LEU H 1 137 MET QB 4.000 . 6.000 4.673 4.553 4.787 . 0 0 "[ . 1 . 2 . 3]" 1 1693 1 136 LEU HB2 1 149 PHE QE 4.000 . 5.000 4.659 4.206 4.914 . 0 0 "[ . 1 . 2 . 3]" 1 1694 1 136 LEU MD2 1 142 THR MG 4.000 . 8.000 4.079 3.542 4.484 . 0 0 "[ . 1 . 2 . 3]" 1 1695 1 136 LEU MD1 1 151 LEU HA 4.000 . 6.500 3.898 3.658 4.177 . 0 0 "[ . 1 . 2 . 3]" 1 1696 1 137 MET HB3 1 137 MET ME 3.000 . 4.800 2.179 2.133 2.258 . 0 0 "[ . 1 . 2 . 3]" 1 1697 1 137 MET HB2 1 137 MET ME 3.000 . 4.800 3.360 3.207 3.455 . 0 0 "[ . 1 . 2 . 3]" 1 1698 1 137 MET HA 1 137 MET ME 3.000 . 4.800 3.263 2.946 3.609 . 0 0 "[ . 1 . 2 . 3]" 1 1699 1 137 MET H 1 137 MET HB3 4.000 . 5.000 3.617 3.598 3.635 . 0 0 "[ . 1 . 2 . 3]" 1 1700 1 137 MET H 1 137 MET HB2 4.000 . 5.000 2.484 2.388 2.534 . 0 0 "[ . 1 . 2 . 3]" 1 1701 1 137 MET H 1 137 MET HG3 4.000 . 6.000 3.072 2.162 3.593 . 0 0 "[ . 1 . 2 . 3]" 1 1702 1 137 MET H 1 137 MET HG2 4.000 . 6.000 2.572 2.043 3.480 . 0 0 "[ . 1 . 2 . 3]" 1 1703 1 137 MET QB 1 138 PHE H 4.000 . 6.000 3.662 3.526 3.764 . 0 0 "[ . 1 . 2 . 3]" 1 1704 1 138 PHE HA 1 138 PHE HD2 4.000 . 5.000 4.328 4.261 4.387 . 0 0 "[ . 1 . 2 . 3]" 1 1705 1 138 PHE H 1 138 PHE HB3 2.500 . 2.900 2.746 2.670 2.809 . 0 0 "[ . 1 . 2 . 3]" 1 1706 1 138 PHE H 1 138 PHE HB2 2.500 . 2.900 2.348 2.321 2.405 . 0 0 "[ . 1 . 2 . 3]" 1 1707 1 138 PHE H 1 138 PHE HD1 4.000 . 5.000 4.347 4.277 4.457 . 0 0 "[ . 1 . 2 . 3]" 1 1708 1 138 PHE HD2 1 140 ILE H 2.500 . 2.900 2.539 2.380 2.755 . 0 0 "[ . 1 . 2 . 3]" 1 1709 1 138 PHE HD2 1 140 ILE MG 3.000 . 4.800 3.717 3.554 3.901 . 0 0 "[ . 1 . 2 . 3]" 1 1710 1 138 PHE HD2 1 140 ILE HB 2.500 . 2.700 2.319 2.290 2.359 . 0 0 "[ . 1 . 2 . 3]" 1 1711 1 138 PHE HD2 1 140 ILE HA 4.000 . 5.000 4.586 4.502 4.781 . 0 0 "[ . 1 . 2 . 3]" 1 1712 1 138 PHE HD2 1 140 ILE HG13 4.000 . 6.000 4.139 3.800 4.358 . 0 0 "[ . 1 . 2 . 3]" 1 1713 1 138 PHE HD2 1 140 ILE HG12 4.000 . 6.000 5.178 5.030 5.272 . 0 0 "[ . 1 . 2 . 3]" 1 1714 1 138 PHE HD2 1 140 ILE MD 3.000 . 4.800 3.778 3.546 3.871 . 0 0 "[ . 1 . 2 . 3]" 1 1715 1 138 PHE HZ 1 140 ILE MD 4.000 . 6.500 3.470 3.076 3.912 . 0 0 "[ . 1 . 2 . 3]" 1 1716 1 139 PRO QB 1 140 ILE H 4.000 . 6.000 3.478 2.614 3.868 . 0 0 "[ . 1 . 2 . 3]" 1 1717 1 139 PRO HA 1 140 ILE HA 4.000 . 5.000 4.608 4.509 4.684 . 0 0 "[ . 1 . 2 . 3]" 1 1718 1 140 ILE HA 1 140 ILE MD 4.000 . 6.500 3.823 3.798 3.846 . 0 0 "[ . 1 . 2 . 3]" 1 1719 1 140 ILE HA 1 140 ILE HG13 4.000 . 5.600 2.875 2.760 2.989 . 0 0 "[ . 1 . 2 . 3]" 1 1720 1 140 ILE HA 1 140 ILE HG12 4.000 . 5.600 2.548 2.490 2.586 . 0 0 "[ . 1 . 2 . 3]" 1 1721 1 140 ILE HA 1 140 ILE MG 3.000 . 4.400 2.341 2.295 2.404 . 0 0 "[ . 1 . 2 . 3]" 1 1722 1 140 ILE H 1 140 ILE HB 2.500 . 2.900 2.572 2.455 2.764 . 0 0 "[ . 1 . 2 . 3]" 1 1723 1 140 ILE H 1 140 ILE QG 3.000 . 4.500 2.713 2.281 3.095 . 0 0 "[ . 1 . 2 . 3]" 1 1724 1 140 ILE H 1 140 ILE MG 3.000 . 5.000 3.840 3.785 3.922 . 0 0 "[ . 1 . 2 . 3]" 1 1725 1 140 ILE MG 1 141 TYR H 3.000 . 5.000 2.380 2.205 2.558 . 0 0 "[ . 1 . 2 . 3]" 1 1726 1 140 ILE HG13 1 141 TYR H 4.000 . 6.000 4.911 4.825 5.036 . 0 0 "[ . 1 . 2 . 3]" 1 1727 1 140 ILE HG12 1 141 TYR H 4.000 . 6.000 4.258 4.113 4.427 . 0 0 "[ . 1 . 2 . 3]" 1 1728 1 140 ILE HB 1 141 TYR H 4.000 . 5.000 4.096 4.000 4.189 . 0 0 "[ . 1 . 2 . 3]" 1 1729 1 140 ILE MG 1 141 TYR HA 4.000 . 6.500 4.060 3.966 4.151 . 0 0 "[ . 1 . 2 . 3]" 1 1730 1 140 ILE MG 1 142 THR HB 4.000 . 6.500 3.602 3.369 3.837 . 0 0 "[ . 1 . 2 . 3]" 1 1731 1 140 ILE MG 1 141 TYR HB2 4.000 . 6.500 4.545 4.422 4.674 . 0 0 "[ . 1 . 2 . 3]" 1 1732 1 141 TYR HB3 1 141 TYR HE1 4.000 . 5.000 4.727 4.705 4.754 . 0 0 "[ . 1 . 2 . 3]" 1 1733 1 141 TYR HB2 1 141 TYR HE2 4.000 . 5.000 4.694 4.675 4.724 . 0 0 "[ . 1 . 2 . 3]" 1 1734 1 141 TYR HA 1 141 TYR HD2 3.000 . 3.300 3.101 2.973 3.211 . 0 0 "[ . 1 . 2 . 3]" 1 1735 1 141 TYR H 1 141 TYR HB3 2.500 . 2.900 2.421 2.365 2.488 . 0 0 "[ . 1 . 2 . 3]" 1 1736 1 141 TYR H 1 141 TYR HB2 2.500 . 2.900 2.701 2.651 2.766 . 0 0 "[ . 1 . 2 . 3]" 1 1737 1 141 TYR H 1 141 TYR HD1 4.000 . 5.000 4.486 4.398 4.581 . 0 0 "[ . 1 . 2 . 3]" 1 1738 1 141 TYR H 1 141 TYR HD2 4.000 . 5.000 4.917 4.859 4.987 . 0 0 "[ . 1 . 2 . 3]" 1 1739 1 141 TYR HB3 1 142 THR H 4.000 . 5.000 4.254 4.192 4.327 . 0 0 "[ . 1 . 2 . 3]" 1 1740 1 141 TYR HB2 1 142 THR H 4.000 . 5.000 4.224 4.171 4.282 . 0 0 "[ . 1 . 2 . 3]" 1 1741 1 141 TYR HD1 1 142 THR H 4.000 . 5.000 3.880 3.676 4.081 . 0 0 "[ . 1 . 2 . 3]" 1 1742 1 141 TYR HD2 1 142 THR H 4.000 . 5.000 4.120 3.940 4.329 . 0 0 "[ . 1 . 2 . 3]" 1 1743 1 141 TYR HD1 1 143 TYR H 4.000 . 5.000 4.442 4.185 4.775 . 0 0 "[ . 1 . 2 . 3]" 1 1744 1 141 TYR HA 1 142 THR MG 4.000 . 6.500 3.669 3.568 3.823 . 0 0 "[ . 1 . 2 . 3]" 1 1745 1 141 TYR HD1 1 142 THR HA 4.000 . 5.000 3.309 3.167 3.463 . 0 0 "[ . 1 . 2 . 3]" 1 1746 1 142 THR HA 1 142 THR MG 3.000 . 4.400 3.203 3.197 3.218 . 0 0 "[ . 1 . 2 . 3]" 1 1747 1 142 THR H 1 142 THR HB 3.000 . 3.500 3.250 3.170 3.315 . 0 0 "[ . 1 . 2 . 3]" 1 1748 1 142 THR H 1 142 THR MG 4.000 . 6.500 2.128 2.034 2.292 . 0 0 "[ . 1 . 2 . 3]" 1 1749 1 142 THR MG 1 143 TYR H 3.000 . 5.000 3.774 3.627 3.908 . 0 0 "[ . 1 . 2 . 3]" 1 1750 1 142 THR HB 1 143 TYR H 4.000 . 5.000 4.188 4.127 4.259 . 0 0 "[ . 1 . 2 . 3]" 1 1751 1 142 THR HA 1 143 TYR QB 4.000 . 6.000 4.163 4.127 4.197 . 0 0 "[ . 1 . 2 . 3]" 1 1752 1 142 THR MG 1 143 TYR HA 4.000 . 6.500 4.160 4.087 4.239 . 0 0 "[ . 1 . 2 . 3]" 1 1753 1 143 TYR HA 1 143 TYR HE1 4.000 . 5.000 4.703 4.550 4.773 . 0 0 "[ . 1 . 2 . 3]" 1 1754 1 143 TYR HB2 1 143 TYR HE1 4.000 . 5.000 4.758 4.720 4.808 . 0 0 "[ . 1 . 2 . 3]" 1 1755 1 143 TYR HB3 1 143 TYR HE2 4.000 . 5.000 4.682 4.661 4.699 . 0 0 "[ . 1 . 2 . 3]" 1 1756 1 143 TYR HB3 1 143 TYR HD2 2.500 . 2.700 2.384 2.349 2.410 . 0 0 "[ . 1 . 2 . 3]" 1 1757 1 143 TYR HB2 1 143 TYR HD1 2.500 . 2.700 2.535 2.472 2.622 . 0 0 "[ . 1 . 2 . 3]" 1 1758 1 143 TYR HA 1 143 TYR HD1 2.500 . 2.700 2.684 2.458 2.789 0.089 18 0 "[ . 1 . 2 . 3]" 1 1759 1 143 TYR H 1 143 TYR QB 2.500 . 3.500 2.319 2.303 2.336 . 0 0 "[ . 1 . 2 . 3]" 1 1760 1 143 TYR H 1 143 TYR HD1 4.000 . 5.000 4.772 4.687 4.850 . 0 0 "[ . 1 . 2 . 3]" 1 1761 1 143 TYR H 1 143 TYR HD2 4.000 . 5.000 4.728 4.619 4.830 . 0 0 "[ . 1 . 2 . 3]" 1 1762 1 143 TYR HE2 1 145 GLY QA 3.000 . 4.300 3.312 2.617 3.611 . 0 0 "[ . 1 . 2 . 3]" 1 1763 1 143 TYR HE1 1 146 LYS QD 4.000 . 6.000 4.691 3.498 5.419 . 0 0 "[ . 1 . 2 . 3]" 1 1764 1 143 TYR HE2 1 144 THR HA 4.000 . 5.000 4.883 4.601 5.039 0.039 28 0 "[ . 1 . 2 . 3]" 1 1765 1 143 TYR QB 1 144 THR HA 4.000 . 6.000 4.466 4.376 4.657 . 0 0 "[ . 1 . 2 . 3]" 1 1766 1 143 TYR HD2 1 145 GLY QA 4.000 . 6.000 4.628 4.094 4.895 . 0 0 "[ . 1 . 2 . 3]" 1 1767 1 144 THR HA 1 144 THR MG 3.000 . 4.400 2.986 2.416 3.206 . 0 0 "[ . 1 . 2 . 3]" 1 1768 1 144 THR MG 1 149 PHE QE 3.000 . 4.800 3.530 2.844 3.791 . 0 0 "[ . 1 . 2 . 3]" 1 1769 1 144 THR HB 1 146 LYS QG 4.000 . 6.000 5.013 3.551 5.507 . 0 0 "[ . 1 . 2 . 3]" 1 1770 1 144 THR MG 1 146 LYS QE 4.000 . 7.500 4.189 2.007 5.369 . 0 0 "[ . 1 . 2 . 3]" 1 1771 1 144 THR MG 1 146 LYS HB2 4.000 . 6.500 5.050 4.705 5.409 . 0 0 "[ . 1 . 2 . 3]" 1 1772 1 144 THR MG 1 146 LYS QG 4.000 . 7.500 3.049 2.473 4.200 . 0 0 "[ . 1 . 2 . 3]" 1 1773 1 144 THR MG 1 145 GLY QA 4.000 . 7.500 3.712 3.221 3.923 . 0 0 "[ . 1 . 2 . 3]" 1 1774 1 144 THR MG 1 149 PHE QD 4.000 . 6.500 2.907 2.195 3.463 . 0 0 "[ . 1 . 2 . 3]" 1 1775 1 145 GLY QA 1 149 PHE QB 4.000 . 7.000 4.648 4.199 5.534 . 0 0 "[ . 1 . 2 . 3]" 1 1776 1 146 LYS HA 1 146 LYS QD 4.000 . 6.000 3.627 2.124 4.186 . 0 0 "[ . 1 . 2 . 3]" 1 1777 1 146 LYS HA 1 146 LYS QG 3.000 . 3.900 2.548 2.334 3.180 . 0 0 "[ . 1 . 2 . 3]" 1 1778 1 146 LYS QE 1 146 LYS QG 3.000 . 5.300 2.341 2.114 2.925 . 0 0 "[ . 1 . 2 . 3]" 1 1779 1 146 LYS H 1 146 LYS QG 3.000 . 4.500 2.171 1.785 3.340 . 0 0 "[ . 1 . 2 . 3]" 1 1780 1 146 LYS H 1 146 LYS HB2 3.000 . 3.500 2.525 2.361 2.808 . 0 0 "[ . 1 . 2 . 3]" 1 1781 1 146 LYS H 1 146 LYS HB3 4.000 . 5.000 3.619 3.596 3.644 . 0 0 "[ . 1 . 2 . 3]" 1 1782 1 146 LYS HB3 1 149 PHE QB 4.000 . 6.000 4.288 3.565 4.845 . 0 0 "[ . 1 . 2 . 3]" 1 1783 1 149 PHE HA 1 149 PHE QE 4.000 . 5.000 4.601 4.528 4.732 . 0 0 "[ . 1 . 2 . 3]" 1 1784 1 149 PHE HA 1 149 PHE QD . . 3.300 2.897 2.826 2.994 . 0 0 "[ . 1 . 2 . 3]" 1 1785 1 149 PHE HB3 1 149 PHE QE 4.000 . 5.000 4.449 4.440 4.460 . 0 0 "[ . 1 . 2 . 3]" 1 1786 1 149 PHE HB2 1 149 PHE QE 4.000 . 5.000 4.452 4.438 4.466 . 0 0 "[ . 1 . 2 . 3]" 1 1787 1 149 PHE HB3 1 149 PHE QD 2.500 . 2.700 2.416 2.394 2.453 . 0 0 "[ . 1 . 2 . 3]" 1 1788 1 149 PHE HB2 1 149 PHE QD 2.500 . 2.700 2.412 2.380 2.435 . 0 0 "[ . 1 . 2 . 3]" 1 1789 1 149 PHE HB2 1 150 MET H 4.000 . 5.000 4.188 4.055 4.339 . 0 0 "[ . 1 . 2 . 3]" 1 1790 1 149 PHE HA 1 150 MET QG 4.000 . 6.000 3.803 3.628 3.979 . 0 0 "[ . 1 . 2 . 3]" 1 1791 1 149 PHE HA 1 150 MET HB2 4.000 . 5.000 4.497 4.425 4.602 . 0 0 "[ . 1 . 2 . 3]" 1 1792 1 149 PHE QE 1 151 LEU HA 4.000 . 5.000 2.955 2.642 3.206 . 0 0 "[ . 1 . 2 . 3]" 1 1793 1 149 PHE QE 1 151 LEU QD 4.000 . 7.400 2.801 2.355 3.427 . 0 0 "[ . 1 . 2 . 3]" 1 1794 1 149 PHE QD 1 151 LEU QD 4.000 . 7.400 4.274 3.714 4.677 . 0 0 "[ . 1 . 2 . 3]" 1 1795 1 149 PHE QE 1 150 MET HA 4.000 . 5.000 4.391 4.127 4.814 . 0 0 "[ . 1 . 2 . 3]" 1 1796 1 149 PHE QD 1 150 MET HA 4.000 . 5.000 3.427 3.171 3.866 . 0 0 "[ . 1 . 2 . 3]" 1 1797 1 149 PHE QE 1 151 LEU HG 4.000 . 5.000 3.963 3.530 4.352 . 0 0 "[ . 1 . 2 . 3]" 1 1798 1 150 MET HA 1 150 MET QG 3.000 . 3.900 2.414 2.298 2.891 . 0 0 "[ . 1 . 2 . 3]" 1 1799 1 150 MET H 1 150 MET HB2 3.000 . 3.500 2.671 2.475 2.771 . 0 0 "[ . 1 . 2 . 3]" 1 1800 1 150 MET H 1 150 MET HB3 4.000 . 5.000 3.816 3.701 3.879 . 0 0 "[ . 1 . 2 . 3]" 1 1801 1 150 MET H 1 150 MET QG 4.000 . 6.000 3.052 2.821 3.168 . 0 0 "[ . 1 . 2 . 3]" 1 1802 1 150 MET HB3 1 151 LEU H 3.000 . 3.500 2.942 2.851 3.098 . 0 0 "[ . 1 . 2 . 3]" 1 1803 1 150 MET QG 1 151 LEU H 4.000 . 6.000 4.040 3.900 4.573 . 0 0 "[ . 1 . 2 . 3]" 1 1804 1 150 MET HA 1 151 LEU HG 4.000 . 5.000 3.894 3.710 5.089 0.089 1 0 "[ . 1 . 2 . 3]" 1 1805 1 151 LEU HA 1 151 LEU QD 4.000 . 6.700 2.233 2.158 2.866 . 0 0 "[ . 1 . 2 . 3]" 1 1806 1 151 LEU H 1 151 LEU QB 3.000 . 4.100 2.525 2.432 2.618 . 0 0 "[ . 1 . 2 . 3]" 1 1807 1 151 LEU H 1 151 LEU QD 3.000 . 5.200 2.913 1.715 3.035 . 0 0 "[ . 1 . 2 . 3]" 1 1808 1 151 LEU HA 1 151 LEU HG 3.000 . 3.300 2.818 2.300 3.011 . 0 0 "[ . 1 . 2 . 3]" 1 1809 1 151 LEU QD 1 155 ASP H 4.000 . 7.400 4.905 4.697 5.082 . 0 0 "[ . 1 . 2 . 3]" 1 1810 1 151 LEU QD 1 156 VAL H 4.000 . 7.400 4.392 4.221 4.565 . 0 0 "[ . 1 . 2 . 3]" 1 1811 1 151 LEU QD 1 159 ILE MG 4.000 . 8.900 3.137 2.878 3.423 . 0 0 "[ . 1 . 2 . 3]" 1 1812 1 151 LEU HA 1 152 PRO HA 4.000 . 5.000 4.543 4.512 4.606 . 0 0 "[ . 1 . 2 . 3]" 1 1813 1 151 LEU QD 1 155 ASP HA 4.000 . 7.400 4.621 4.394 4.827 . 0 0 "[ . 1 . 2 . 3]" 1 1814 1 151 LEU QD 1 156 VAL HA 4.000 . 7.400 3.858 3.526 4.180 . 0 0 "[ . 1 . 2 . 3]" 1 1815 1 151 LEU QD 1 155 ASP HB3 4.000 . 7.400 2.590 2.278 2.894 . 0 0 "[ . 1 . 2 . 3]" 1 1816 1 151 LEU QD 1 155 ASP HB2 4.000 . 7.400 3.036 2.761 3.251 . 0 0 "[ . 1 . 2 . 3]" 1 1817 1 151 LEU QD 1 159 ILE MD 3.000 . 7.200 4.278 3.987 4.400 . 0 0 "[ . 1 . 2 . 3]" 1 1818 1 151 LEU QD 1 156 VAL MG1 4.000 . 8.900 4.615 4.405 4.960 . 0 0 "[ . 1 . 2 . 3]" 1 1819 1 151 LEU QD 1 156 VAL MG2 4.000 . 8.900 3.213 3.002 3.474 . 0 0 "[ . 1 . 2 . 3]" 1 1820 1 151 LEU QB 1 156 VAL MG2 3.000 . 5.800 2.351 2.124 2.739 . 0 0 "[ . 1 . 2 . 3]" 1 1821 1 151 LEU QB 1 156 VAL MG1 4.000 . 7.500 4.517 4.280 4.933 . 0 0 "[ . 1 . 2 . 3]" 1 1822 1 151 LEU QB 1 156 VAL H 4.000 . 6.000 3.504 3.242 3.767 . 0 0 "[ . 1 . 2 . 3]" 1 1823 1 152 PRO QB 1 153 ASP H 3.000 . 4.500 2.462 2.369 2.544 . 0 0 "[ . 1 . 2 . 3]" 1 1824 1 152 PRO QB 1 154 ASP H 4.000 . 6.000 2.558 2.512 2.600 . 0 0 "[ . 1 . 2 . 3]" 1 1825 1 152 PRO QB 1 155 ASP H 4.000 . 6.000 3.343 3.061 3.474 . 0 0 "[ . 1 . 2 . 3]" 1 1826 1 152 PRO QB 1 154 ASP HB3 4.000 . 6.000 3.345 3.170 3.485 . 0 0 "[ . 1 . 2 . 3]" 1 1827 1 152 PRO QB 1 154 ASP HB2 4.000 . 6.000 3.973 3.781 4.090 . 0 0 "[ . 1 . 2 . 3]" 1 1828 1 153 ASP H 1 153 ASP QB 2.500 . 3.500 2.384 2.361 2.398 . 0 0 "[ . 1 . 2 . 3]" 1 1829 1 153 ASP H 1 156 VAL MG2 4.000 . 6.500 4.450 4.381 4.545 . 0 0 "[ . 1 . 2 . 3]" 1 1830 1 153 ASP QB 1 154 ASP H 3.000 . 4.500 2.600 2.573 2.633 . 0 0 "[ . 1 . 2 . 3]" 1 1831 1 153 ASP QB 1 156 VAL H 4.000 . 6.000 4.848 4.750 4.905 . 0 0 "[ . 1 . 2 . 3]" 1 1832 1 153 ASP HA 1 156 VAL MG1 3.000 . 4.800 3.748 3.698 3.829 . 0 0 "[ . 1 . 2 . 3]" 1 1833 1 153 ASP HA 1 156 VAL MG2 3.000 . 4.800 3.061 2.848 3.244 . 0 0 "[ . 1 . 2 . 3]" 1 1834 1 153 ASP QB 1 154 ASP HA 4.000 . 6.000 3.893 3.877 3.914 . 0 0 "[ . 1 . 2 . 3]" 1 1835 1 153 ASP QB 1 156 VAL MG1 4.000 . 7.500 4.906 4.822 5.030 . 0 0 "[ . 1 . 2 . 3]" 1 1836 1 153 ASP HA 1 157 GLN QG 4.000 . 6.000 3.637 3.362 3.903 . 0 0 "[ . 1 . 2 . 3]" 1 1837 1 154 ASP H 1 154 ASP HB3 2.500 . 2.900 2.609 2.559 2.700 . 0 0 "[ . 1 . 2 . 3]" 1 1838 1 154 ASP H 1 154 ASP HB2 2.500 . 2.900 2.501 2.441 2.542 . 0 0 "[ . 1 . 2 . 3]" 1 1839 1 154 ASP HB3 1 155 ASP H 3.000 . 3.500 2.406 2.359 2.521 . 0 0 "[ . 1 . 2 . 3]" 1 1840 1 154 ASP HB2 1 155 ASP H 4.000 . 5.000 3.783 3.742 3.862 . 0 0 "[ . 1 . 2 . 3]" 1 1841 1 154 ASP HA 1 157 GLN QG 4.000 . 6.000 3.944 3.468 4.296 . 0 0 "[ . 1 . 2 . 3]" 1 1842 1 155 ASP H 1 155 ASP HB3 4.000 . 5.000 3.610 3.599 3.622 . 0 0 "[ . 1 . 2 . 3]" 1 1843 1 155 ASP H 1 155 ASP HB2 4.000 . 5.000 2.394 2.374 2.411 . 0 0 "[ . 1 . 2 . 3]" 1 1844 1 155 ASP HB3 1 156 VAL H 4.000 . 5.000 3.594 3.576 3.621 . 0 0 "[ . 1 . 2 . 3]" 1 1845 1 155 ASP HB2 1 156 VAL H 4.000 . 5.000 2.686 2.657 2.731 . 0 0 "[ . 1 . 2 . 3]" 1 1846 1 155 ASP HB3 1 156 VAL MG2 4.000 . 6.500 4.197 4.074 4.273 . 0 0 "[ . 1 . 2 . 3]" 1 1847 1 155 ASP HB2 1 156 VAL MG2 4.000 . 6.500 3.416 3.308 3.480 . 0 0 "[ . 1 . 2 . 3]" 1 1848 1 155 ASP HA 1 159 ILE MG 4.000 . 6.500 4.543 4.417 4.778 . 0 0 "[ . 1 . 2 . 3]" 1 1849 1 156 VAL HA 1 156 VAL MG1 3.000 . 4.400 2.406 2.362 2.437 . 0 0 "[ . 1 . 2 . 3]" 1 1850 1 156 VAL HA 1 156 VAL MG2 3.000 . 4.400 2.342 2.317 2.365 . 0 0 "[ . 1 . 2 . 3]" 1 1851 1 156 VAL H 1 156 VAL MG2 2.500 . 4.400 2.200 2.131 2.293 . 0 0 "[ . 1 . 2 . 3]" 1 1852 1 156 VAL H 1 156 VAL HB 3.000 . 3.500 2.445 2.414 2.510 . 0 0 "[ . 1 . 2 . 3]" 1 1853 1 156 VAL H 1 157 GLN QB 4.000 . 6.000 4.686 4.636 4.734 . 0 0 "[ . 1 . 2 . 3]" 1 1854 1 156 VAL MG1 1 157 GLN H 3.000 . 5.000 3.179 3.113 3.238 . 0 0 "[ . 1 . 2 . 3]" 1 1855 1 156 VAL MG2 1 157 GLN H 3.000 . 5.000 3.887 3.839 3.958 . 0 0 "[ . 1 . 2 . 3]" 1 1856 1 156 VAL HB 1 157 GLN H 3.000 . 3.500 2.500 2.446 2.598 . 0 0 "[ . 1 . 2 . 3]" 1 1857 1 156 VAL HB 1 158 GLY H 4.000 . 5.000 4.986 4.910 5.035 0.035 1 0 "[ . 1 . 2 . 3]" 1 1858 1 156 VAL MG1 1 160 GLN H 4.000 . 6.500 4.025 3.915 4.247 . 0 0 "[ . 1 . 2 . 3]" 1 1859 1 156 VAL HA 1 159 ILE MG 3.000 . 4.800 2.163 2.134 2.294 . 0 0 "[ . 1 . 2 . 3]" 1 1860 1 156 VAL MG1 1 157 GLN QG 4.000 . 7.500 3.409 3.262 3.584 . 0 0 "[ . 1 . 2 . 3]" 1 1861 1 156 VAL MG2 1 157 GLN QG 4.000 . 7.500 4.760 4.708 4.837 . 0 0 "[ . 1 . 2 . 3]" 1 1862 1 156 VAL MG1 1 157 GLN HA 4.000 . 6.500 3.292 3.243 3.336 . 0 0 "[ . 1 . 2 . 3]" 1 1863 1 156 VAL MG1 1 160 GLN HB3 4.000 . 6.500 4.445 4.213 5.165 . 0 0 "[ . 1 . 2 . 3]" 1 1864 1 156 VAL MG1 1 157 GLN QB 4.000 . 7.500 4.511 4.451 4.574 . 0 0 "[ . 1 . 2 . 3]" 1 1865 1 157 GLN HG3 1 158 GLY QA 4.000 . 7.000 5.931 5.858 6.041 . 0 0 "[ . 1 . 2 . 3]" 1 1866 1 157 GLN HG2 1 158 GLY QA 4.000 . 7.000 5.929 5.843 5.989 . 0 0 "[ . 1 . 2 . 3]" 1 1867 1 157 GLN H 1 157 GLN QB 2.500 . 3.500 2.392 2.373 2.407 . 0 0 "[ . 1 . 2 . 3]" 1 1868 1 157 GLN H 1 157 GLN QG 2.500 . 3.900 2.247 2.186 2.317 . 0 0 "[ . 1 . 2 . 3]" 1 1869 1 157 GLN HG3 1 158 GLY H 4.000 . 6.000 4.631 4.401 5.012 . 0 0 "[ . 1 . 2 . 3]" 1 1870 1 157 GLN HG2 1 158 GLY H 4.000 . 6.000 4.821 4.376 5.083 . 0 0 "[ . 1 . 2 . 3]" 1 1871 1 157 GLN QB 1 159 ILE H 4.000 . 6.000 5.024 4.968 5.064 . 0 0 "[ . 1 . 2 . 3]" 1 1872 1 157 GLN HA 1 160 GLN HB3 4.000 . 5.000 4.471 4.287 5.034 0.034 12 0 "[ . 1 . 2 . 3]" 1 1873 1 157 GLN QB 1 158 GLY H 3.000 . 4.500 2.597 2.574 2.658 . 0 0 "[ . 1 . 2 . 3]" 1 1874 1 158 GLY H 1 159 ILE MG 4.000 . 6.500 3.917 3.827 4.186 . 0 0 "[ . 1 . 2 . 3]" 1 1875 1 158 GLY QA 1 162 LEU MD1 4.000 . 7.500 4.118 3.664 4.416 . 0 0 "[ . 1 . 2 . 3]" 1 1876 1 159 ILE H 1 159 ILE HB 3.000 . 3.500 2.448 2.393 2.484 . 0 0 "[ . 1 . 2 . 3]" 1 1877 1 159 ILE H 1 159 ILE MD 4.000 . 6.500 4.004 3.869 4.061 . 0 0 "[ . 1 . 2 . 3]" 1 1878 1 159 ILE HB 1 159 ILE MD 3.000 . 4.800 2.230 2.216 2.287 . 0 0 "[ . 1 . 2 . 3]" 1 1879 1 159 ILE HA 1 159 ILE MD 3.000 . 4.800 2.204 2.155 2.230 . 0 0 "[ . 1 . 2 . 3]" 1 1880 1 159 ILE H 1 159 ILE QG 4.000 . 6.000 4.086 4.075 4.109 . 0 0 "[ . 1 . 2 . 3]" 1 1881 1 159 ILE H 1 159 ILE MG 2.500 . 4.400 2.177 2.067 2.364 . 0 0 "[ . 1 . 2 . 3]" 1 1882 1 159 ILE MG 1 160 GLN H 2.500 . 4.400 1.894 1.822 1.948 . 0 0 "[ . 1 . 2 . 3]" 1 1883 1 159 ILE H 1 160 GLN HB2 4.000 . 5.000 4.877 4.828 5.016 0.016 12 0 "[ . 1 . 2 . 3]" 1 1884 1 159 ILE MG 1 163 TYR QD 4.000 . 6.500 4.405 4.273 4.562 . 0 0 "[ . 1 . 2 . 3]" 1 1885 1 159 ILE MG 1 163 TYR HB2 4.000 . 6.500 4.611 4.444 4.792 . 0 0 "[ . 1 . 2 . 3]" 1 1886 1 159 ILE HA 1 163 TYR QD 4.000 . 5.000 3.254 3.064 3.516 . 0 0 "[ . 1 . 2 . 3]" 1 1887 1 159 ILE HA 1 163 TYR QE 4.000 . 5.000 4.090 3.850 4.279 . 0 0 "[ . 1 . 2 . 3]" 1 1888 1 159 ILE HA 1 162 LEU MD1 4.000 . 6.500 2.885 2.577 3.301 . 0 0 "[ . 1 . 2 . 3]" 1 1889 1 159 ILE HA 1 162 LEU MD2 4.000 . 6.500 5.152 4.941 5.464 . 0 0 "[ . 1 . 2 . 3]" 1 1890 1 159 ILE MD 1 163 TYR QD 3.000 . 4.800 2.394 2.211 3.196 . 0 0 "[ . 1 . 2 . 3]" 1 1891 1 159 ILE MG 1 160 GLN HA 4.000 . 6.500 3.144 3.106 3.197 . 0 0 "[ . 1 . 2 . 3]" 1 1892 1 159 ILE MD 1 160 GLN H 4.000 . 6.500 4.720 4.652 4.813 . 0 0 "[ . 1 . 2 . 3]" 1 1893 1 159 ILE MD 1 163 TYR HB2 4.000 . 6.500 4.135 3.663 5.027 . 0 0 "[ . 1 . 2 . 3]" 1 1894 1 159 ILE QG 1 163 TYR QD 4.000 . 6.000 2.478 2.308 2.670 . 0 0 "[ . 1 . 2 . 3]" 1 1895 1 159 ILE HB 1 160 GLN H 4.000 . 5.000 3.843 3.811 3.893 . 0 0 "[ . 1 . 2 . 3]" 1 1896 1 160 GLN H 1 160 GLN HB3 4.000 . 5.000 3.614 3.601 3.641 . 0 0 "[ . 1 . 2 . 3]" 1 1897 1 160 GLN H 1 160 GLN HB2 3.000 . 3.500 2.413 2.399 2.433 . 0 0 "[ . 1 . 2 . 3]" 1 1898 1 160 GLN QB 1 161 SER H 4.000 . 6.000 2.614 2.579 2.700 . 0 0 "[ . 1 . 2 . 3]" 1 1899 1 161 SER QB 1 162 LEU H 4.000 . 6.000 3.551 3.474 3.652 . 0 0 "[ . 1 . 2 . 3]" 1 1900 1 162 LEU HA 1 162 LEU MD2 2.500 . 4.200 2.151 2.120 2.173 . 0 0 "[ . 1 . 2 . 3]" 1 1901 1 162 LEU HA 1 162 LEU MD1 4.000 . 6.500 3.819 3.807 3.842 . 0 0 "[ . 1 . 2 . 3]" 1 1902 1 162 LEU HA 1 162 LEU HG 4.000 . 5.000 2.901 2.835 3.054 . 0 0 "[ . 1 . 2 . 3]" 1 1903 1 162 LEU H 1 162 LEU HB3 4.000 . 5.000 3.642 3.625 3.668 . 0 0 "[ . 1 . 2 . 3]" 1 1904 1 162 LEU H 1 162 LEU HB2 3.000 . 3.500 2.415 2.378 2.503 . 0 0 "[ . 1 . 2 . 3]" 1 1905 1 162 LEU H 1 162 LEU HG 2.500 . 2.900 2.525 2.364 2.637 . 0 0 "[ . 1 . 2 . 3]" 1 1906 1 162 LEU H 1 162 LEU MD1 4.000 . 6.500 3.620 3.559 3.681 . 0 0 "[ . 1 . 2 . 3]" 1 1907 1 162 LEU H 1 162 LEU MD2 4.000 . 6.500 3.699 3.473 3.797 . 0 0 "[ . 1 . 2 . 3]" 1 1908 1 162 LEU H 1 163 TYR QD 4.000 . 5.000 4.060 3.944 4.277 . 0 0 "[ . 1 . 2 . 3]" 1 1909 1 162 LEU HB3 1 163 TYR H 4.000 . 5.000 3.340 3.048 3.449 . 0 0 "[ . 1 . 2 . 3]" 1 1910 1 162 LEU HB2 1 163 TYR H 3.000 . 4.000 2.382 2.009 2.538 . 0 0 "[ . 1 . 2 . 3]" 1 1911 1 162 LEU MD1 1 163 TYR H 4.000 . 6.500 4.283 4.000 4.428 . 0 0 "[ . 1 . 2 . 3]" 1 1912 1 162 LEU MD2 1 163 TYR H 4.000 . 6.500 4.639 4.468 4.692 . 0 0 "[ . 1 . 2 . 3]" 1 1913 1 162 LEU HG 1 163 TYR H 4.000 . 5.000 4.325 4.123 4.410 . 0 0 "[ . 1 . 2 . 3]" 1 1914 1 162 LEU MD1 1 163 TYR QE 4.000 . 6.500 3.388 2.974 3.590 . 0 0 "[ . 1 . 2 . 3]" 1 1915 1 162 LEU MD2 1 163 TYR QE 4.000 . 6.500 5.101 4.803 5.251 . 0 0 "[ . 1 . 2 . 3]" 1 1916 1 162 LEU MD2 1 163 TYR QD 4.000 . 6.500 5.134 4.982 5.202 . 0 0 "[ . 1 . 2 . 3]" 1 1917 1 162 LEU HA 1 163 TYR HA 4.000 . 5.000 4.631 4.602 4.646 . 0 0 "[ . 1 . 2 . 3]" 1 1918 1 162 LEU QB 1 163 TYR QD 4.000 . 6.000 2.580 2.410 2.656 . 0 0 "[ . 1 . 2 . 3]" 1 1919 1 162 LEU QB 1 163 TYR QE 4.000 . 6.000 3.219 3.049 3.355 . 0 0 "[ . 1 . 2 . 3]" 1 1920 1 163 TYR HA 1 163 TYR QD 3.000 . 3.300 2.864 2.840 2.892 . 0 0 "[ . 1 . 2 . 3]" 1 1921 1 163 TYR H 1 163 TYR HB3 4.000 . 5.000 3.648 3.630 3.678 . 0 0 "[ . 1 . 2 . 3]" 1 1922 1 163 TYR H 1 163 TYR HB2 3.000 . 3.300 2.426 2.377 2.487 . 0 0 "[ . 1 . 2 . 3]" 1 1923 1 163 TYR H 1 163 TYR QD 3.000 . 3.300 2.312 2.132 2.427 . 0 0 "[ . 1 . 2 . 3]" 1 1924 1 163 TYR QD 1 164 GLY H 4.000 . 5.000 4.371 4.182 4.471 . 0 0 "[ . 1 . 2 . 3]" 1 1925 1 163 TYR HB3 1 164 GLY H 4.000 . 5.000 4.139 3.982 4.205 . 0 0 "[ . 1 . 2 . 3]" 1 1926 1 163 TYR HB2 1 164 GLY H 4.000 . 5.000 3.338 3.050 3.380 . 0 0 "[ . 1 . 2 . 3]" 1 1927 1 7 THR H 1 8 LEU H 4.000 . 5.000 3.056 2.188 4.079 . 0 0 "[ . 1 . 2 . 3]" 1 1928 1 9 LYS H 1 10 TRP H 5.000 3.000 6.000 4.387 4.374 4.403 . 0 0 "[ . 1 . 2 . 3]" 1 1929 1 12 LYS H 1 13 MET H 4.000 . 5.000 4.432 4.378 4.607 . 0 0 "[ . 1 . 2 . 3]" 1 1930 1 13 MET H 1 14 ASN H 2.500 . 2.900 2.437 2.382 2.474 . 0 0 "[ . 1 . 2 . 3]" 1 1931 1 14 ASN H 1 15 LEU H 4.000 . 5.000 4.494 4.417 4.536 . 0 0 "[ . 1 . 2 . 3]" 1 1932 1 17 TYR H 1 18 ARG H 4.000 . 5.000 4.440 4.430 4.460 . 0 0 "[ . 1 . 2 . 3]" 1 1933 1 18 ARG H 1 19 ILE H 4.000 . 5.000 4.292 4.241 4.341 . 0 0 "[ . 1 . 2 . 3]" 1 1934 1 20 VAL H 1 21 ASN H 3.000 . 3.500 2.652 2.576 2.728 . 0 0 "[ . 1 . 2 . 3]" 1 1935 1 21 ASN H 1 22 TYR H 4.000 . 5.000 4.354 4.312 4.388 . 0 0 "[ . 1 . 2 . 3]" 1 1936 1 22 TYR H 1 23 THR H 4.000 . 5.000 4.214 3.486 4.472 . 0 0 "[ . 1 . 2 . 3]" 1 1937 1 25 ASP H 1 26 MET H 2.500 . 2.900 2.748 2.570 2.833 . 0 0 "[ . 1 . 2 . 3]" 1 1938 1 26 MET H 1 27 THR H 4.000 . 5.000 4.462 4.413 4.611 . 0 0 "[ . 1 . 2 . 3]" 1 1939 1 29 SER H 1 30 GLU H 3.000 . 3.500 2.784 2.744 2.839 . 0 0 "[ . 1 . 2 . 3]" 1 1940 1 30 GLU H 1 31 VAL H 2.500 . 2.900 2.667 2.562 2.756 . 0 0 "[ . 1 . 2 . 3]" 1 1941 1 31 VAL H 1 32 GLU H 2.500 . 2.900 2.672 2.625 2.721 . 0 0 "[ . 1 . 2 . 3]" 1 1942 1 33 LYS H 1 34 ALA H 2.500 . 2.900 2.701 2.654 2.747 . 0 0 "[ . 1 . 2 . 3]" 1 1943 1 34 ALA H 1 35 PHE H 2.500 . 2.900 2.857 2.819 2.925 0.025 17 0 "[ . 1 . 2 . 3]" 1 1944 1 35 PHE H 1 36 LYS H 2.500 . 2.900 2.672 2.639 2.711 . 0 0 "[ . 1 . 2 . 3]" 1 1945 1 38 ALA H 1 39 PHE H 2.500 . 2.900 2.822 2.770 2.866 . 0 0 "[ . 1 . 2 . 3]" 1 1946 1 39 PHE H 1 40 LYS H 2.500 . 2.900 2.661 2.611 2.721 . 0 0 "[ . 1 . 2 . 3]" 1 1947 1 40 LYS H 1 41 VAL H 2.500 . 2.900 2.820 2.777 2.908 0.008 23 0 "[ . 1 . 2 . 3]" 1 1948 1 41 VAL H 1 42 TRP H 2.500 . 2.900 2.790 2.745 2.831 . 0 0 "[ . 1 . 2 . 3]" 1 1949 1 42 TRP H 1 43 SER H 2.500 . 2.900 2.490 2.448 2.539 . 0 0 "[ . 1 . 2 . 3]" 1 1950 1 43 SER H 1 44 ASP H 2.500 . 2.900 2.544 2.508 2.589 . 0 0 "[ . 1 . 2 . 3]" 1 1951 1 44 ASP H 1 45 VAL H 2.500 . 2.900 2.782 2.753 2.813 . 0 0 "[ . 1 . 2 . 3]" 1 1952 1 45 VAL H 1 46 THR H 2.500 . 2.900 2.434 2.028 2.768 . 0 0 "[ . 1 . 2 . 3]" 1 1953 1 48 LEU H 1 49 ASN H 4.000 . 5.000 4.631 4.586 4.650 . 0 0 "[ . 1 . 2 . 3]" 1 1954 1 49 ASN H 1 50 PHE H 4.000 . 5.000 4.381 4.352 4.419 . 0 0 "[ . 1 . 2 . 3]" 1 1955 1 50 PHE H 1 51 THR H 4.000 . 5.000 4.418 4.361 4.466 . 0 0 "[ . 1 . 2 . 3]" 1 1956 1 52 ARG H 1 53 LEU H 4.000 . 5.000 4.589 4.558 4.616 . 0 0 "[ . 1 . 2 . 3]" 1 1957 1 55 ASP H 1 56 GLY H 4.000 . 5.000 4.428 4.382 4.453 . 0 0 "[ . 1 . 2 . 3]" 1 1958 1 57 ILE H 1 58 ALA H 4.000 . 5.000 4.549 4.497 4.579 . 0 0 "[ . 1 . 2 . 3]" 1 1959 1 58 ALA H 1 59 ASP H 4.000 . 5.000 4.558 4.534 4.572 . 0 0 "[ . 1 . 2 . 3]" 1 1960 1 59 ASP H 1 60 ILE H 3.000 . 3.500 2.800 2.736 2.824 . 0 0 "[ . 1 . 2 . 3]" 1 1961 1 60 ILE H 1 61 MET H 4.000 . 5.000 4.187 4.077 4.503 . 0 0 "[ . 1 . 2 . 3]" 1 1962 1 62 ILE H 1 63 SER H 4.000 . 5.000 4.513 4.462 4.561 . 0 0 "[ . 1 . 2 . 3]" 1 1963 1 63 SER H 1 64 PHE H 4.000 . 5.000 4.407 4.383 4.432 . 0 0 "[ . 1 . 2 . 3]" 1 1964 1 65 GLY H 1 66 ILE H 4.000 . 5.000 4.465 4.300 4.625 . 0 0 "[ . 1 . 2 . 3]" 1 1965 1 76 ASP H 1 77 GLY H 3.000 . 3.500 2.459 2.312 2.658 . 0 0 "[ . 1 . 2 . 3]" 1 1966 1 79 SER H 1 80 GLY H 4.000 . 5.000 4.652 4.578 4.679 . 0 0 "[ . 1 . 2 . 3]" 1 1967 1 80 GLY H 1 81 LEU H 4.000 . 5.000 4.446 4.412 4.556 . 0 0 "[ . 1 . 2 . 3]" 1 1968 1 82 LEU H 1 83 ALA H 2.500 . 2.900 2.387 2.292 2.472 . 0 0 "[ . 1 . 2 . 3]" 1 1969 1 83 ALA H 1 84 HIS H 4.000 . 5.000 4.364 4.331 4.384 . 0 0 "[ . 1 . 2 . 3]" 1 1970 1 84 HIS H 1 85 ALA H 4.000 . 5.000 4.377 4.336 4.402 . 0 0 "[ . 1 . 2 . 3]" 1 1971 1 85 ALA H 1 86 PHE H 4.000 . 5.000 4.418 4.388 4.451 . 0 0 "[ . 1 . 2 . 3]" 1 1972 1 93 GLY H 1 94 GLY H 4.000 . 5.000 4.653 4.612 4.702 . 0 0 "[ . 1 . 2 . 3]" 1 1973 1 94 GLY H 1 95 ASP H 3.000 . 3.500 2.687 2.452 3.154 . 0 0 "[ . 1 . 2 . 3]" 1 1974 1 100 ASP H 1 101 ASP H 3.000 . 3.500 2.427 2.364 2.575 . 0 0 "[ . 1 . 2 . 3]" 1 1975 1 101 ASP H 1 102 GLU H 2.500 . 2.900 2.408 2.349 2.468 . 0 0 "[ . 1 . 2 . 3]" 1 1976 1 103 THR H 1 104 TRP H 4.000 . 5.000 4.242 4.189 4.284 . 0 0 "[ . 1 . 2 . 3]" 1 1977 1 106 SER H 1 107 SER H 4.000 . 5.000 2.210 2.152 2.266 . 0 0 "[ . 1 . 2 . 3]" 1 1978 1 110 GLY H 1 111 TYR H 4.000 . 5.000 4.655 4.604 4.679 . 0 0 "[ . 1 . 2 . 3]" 1 1979 1 111 TYR H 1 112 ASN H 4.000 . 5.000 4.380 4.334 4.412 . 0 0 "[ . 1 . 2 . 3]" 1 1980 1 113 LEU H 1 114 PHE H 3.000 . 3.500 2.793 2.730 2.851 . 0 0 "[ . 1 . 2 . 3]" 1 1981 1 114 PHE H 1 115 LEU H 2.500 . 2.900 2.840 2.807 2.898 . 0 0 "[ . 1 . 2 . 3]" 1 1982 1 115 LEU H 1 116 VAL H 2.500 . 2.900 2.868 2.824 2.945 0.045 23 0 "[ . 1 . 2 . 3]" 1 1983 1 116 VAL H 1 117 ALA H 2.500 . 2.900 2.659 2.617 2.759 . 0 0 "[ . 1 . 2 . 3]" 1 1984 1 117 ALA H 1 118 ALA H 2.500 . 2.900 2.866 2.807 2.926 0.026 13 0 "[ . 1 . 2 . 3]" 1 1985 1 118 ALA H 1 119 HIS H 2.500 . 2.900 2.741 2.700 2.799 . 0 0 "[ . 1 . 2 . 3]" 1 1986 1 119 HIS H 1 120 GLU H 2.500 . 2.900 2.882 2.834 2.938 0.038 20 0 "[ . 1 . 2 . 3]" 1 1987 1 121 PHE H 1 122 GLY H 2.500 . 2.900 2.703 2.683 2.730 . 0 0 "[ . 1 . 2 . 3]" 1 1988 1 122 GLY H 1 123 HIS H 2.500 . 2.900 2.809 2.752 2.868 . 0 0 "[ . 1 . 2 . 3]" 1 1989 1 123 HIS H 1 124 SER H 2.500 . 2.900 2.637 2.575 2.681 . 0 0 "[ . 1 . 2 . 3]" 1 1990 1 124 SER H 1 125 LEU H 3.000 . 3.500 2.599 2.547 2.670 . 0 0 "[ . 1 . 2 . 3]" 1 1991 1 125 LEU H 1 126 GLY H 3.000 . 3.500 2.535 2.463 2.609 . 0 0 "[ . 1 . 2 . 3]" 1 1992 1 126 GLY H 1 127 LEU H 2.500 . 2.900 2.386 1.776 2.492 0.024 12 0 "[ . 1 . 2 . 3]" 1 1993 1 129 HIS H 1 130 SER H 4.000 . 5.000 4.640 4.609 4.664 . 0 0 "[ . 1 . 2 . 3]" 1 1994 1 131 LYS H 1 132 ASP H 2.500 . 2.900 2.356 2.298 2.431 . 0 0 "[ . 1 . 2 . 3]" 1 1995 1 134 GLY H 1 135 ALA H 2.500 . 2.900 2.411 2.257 2.525 . 0 0 "[ . 1 . 2 . 3]" 1 1996 1 136 LEU H 1 137 MET H 3.000 . 3.500 2.602 2.515 2.751 . 0 0 "[ . 1 . 2 . 3]" 1 1997 1 137 MET H 1 138 PHE H 3.000 . 3.500 2.970 2.774 3.112 . 0 0 "[ . 1 . 2 . 3]" 1 1998 1 140 ILE H 1 141 TYR H 4.000 . 5.000 4.507 4.401 4.623 . 0 0 "[ . 1 . 2 . 3]" 1 1999 1 141 TYR H 1 142 THR H 4.000 . 5.000 4.576 4.548 4.602 . 0 0 "[ . 1 . 2 . 3]" 1 2000 1 142 THR H 1 143 TYR H 4.000 . 5.000 4.364 4.295 4.405 . 0 0 "[ . 1 . 2 . 3]" 1 2001 1 150 MET H 1 151 LEU H 4.000 . 5.000 4.435 4.386 4.531 . 0 0 "[ . 1 . 2 . 3]" 1 2002 1 153 ASP H 1 154 ASP H 3.000 . 3.500 2.732 2.700 2.756 . 0 0 "[ . 1 . 2 . 3]" 1 2003 1 154 ASP H 1 155 ASP H 2.500 . 2.900 2.887 2.843 2.918 0.018 25 0 "[ . 1 . 2 . 3]" 1 2004 1 155 ASP H 1 156 VAL H 2.500 . 2.900 2.633 2.599 2.662 . 0 0 "[ . 1 . 2 . 3]" 1 2005 1 156 VAL H 1 157 GLN H 3.000 . 3.500 2.776 2.737 2.823 . 0 0 "[ . 1 . 2 . 3]" 1 2006 1 157 GLN H 1 158 GLY H 3.000 . 3.500 2.750 2.712 2.778 . 0 0 "[ . 1 . 2 . 3]" 1 2007 1 158 GLY H 1 159 ILE H 3.000 . 3.500 2.814 2.767 2.865 . 0 0 "[ . 1 . 2 . 3]" 1 2008 1 159 ILE H 1 160 GLN H 3.000 . 3.500 2.756 2.719 2.851 . 0 0 "[ . 1 . 2 . 3]" 1 2009 1 160 GLN H 1 161 SER H 3.000 . 3.500 2.649 2.583 2.691 . 0 0 "[ . 1 . 2 . 3]" 1 2010 1 161 SER H 1 162 LEU H 2.500 . 2.900 2.705 2.590 2.779 . 0 0 "[ . 1 . 2 . 3]" 1 2011 1 162 LEU H 1 163 TYR H 2.500 . 2.900 2.568 2.504 2.816 . 0 0 "[ . 1 . 2 . 3]" 1 2012 1 163 TYR H 1 164 GLY H 2.500 . 2.900 2.354 2.248 2.451 . 0 0 "[ . 1 . 2 . 3]" 1 2013 1 29 SER H 1 31 VAL H 4.000 . 5.000 4.273 4.128 4.441 . 0 0 "[ . 1 . 2 . 3]" 1 2014 1 30 GLU H 1 32 GLU H 4.000 . 5.000 4.209 4.074 4.322 . 0 0 "[ . 1 . 2 . 3]" 1 2015 1 31 VAL H 1 33 LYS H 4.000 . 5.000 4.485 4.405 4.718 . 0 0 "[ . 1 . 2 . 3]" 1 2016 1 33 LYS H 1 35 PHE H 4.000 . 5.000 4.603 4.532 4.730 . 0 0 "[ . 1 . 2 . 3]" 1 2017 1 34 ALA H 1 36 LYS H 4.000 . 5.000 4.121 4.082 4.196 . 0 0 "[ . 1 . 2 . 3]" 1 2018 1 35 PHE H 1 37 LYS H 4.000 . 5.000 4.297 4.251 4.348 . 0 0 "[ . 1 . 2 . 3]" 1 2019 1 37 LYS H 1 39 PHE H 4.000 . 5.000 4.368 4.293 4.442 . 0 0 "[ . 1 . 2 . 3]" 1 2020 1 38 ALA H 1 40 LYS H 4.000 . 5.000 4.148 4.054 4.211 . 0 0 "[ . 1 . 2 . 3]" 1 2021 1 39 PHE H 1 41 VAL H 4.000 . 5.000 4.392 4.306 4.590 . 0 0 "[ . 1 . 2 . 3]" 1 2022 1 40 LYS H 1 42 TRP H 4.000 . 5.000 4.235 4.151 4.331 . 0 0 "[ . 1 . 2 . 3]" 1 2023 1 41 VAL H 1 43 SER H 4.000 . 5.000 4.137 4.045 4.206 . 0 0 "[ . 1 . 2 . 3]" 1 2024 1 42 TRP H 1 44 ASP H 4.000 . 5.000 3.849 3.802 3.891 . 0 0 "[ . 1 . 2 . 3]" 1 2025 1 44 ASP H 1 46 THR H 4.000 . 5.000 4.046 3.795 4.313 . 0 0 "[ . 1 . 2 . 3]" 1 2026 1 100 ASP H 1 102 GLU H 4.000 . 5.000 4.222 4.061 4.525 . 0 0 "[ . 1 . 2 . 3]" 1 2027 1 114 PHE H 1 116 VAL H 4.000 . 5.000 4.573 4.487 4.743 . 0 0 "[ . 1 . 2 . 3]" 1 2028 1 115 LEU H 1 117 ALA H 4.000 . 5.000 4.145 4.080 4.269 . 0 0 "[ . 1 . 2 . 3]" 1 2029 1 116 VAL H 1 118 ALA H 4.000 . 5.000 4.428 4.347 4.511 . 0 0 "[ . 1 . 2 . 3]" 1 2030 1 117 ALA H 1 119 HIS H 4.000 . 5.000 4.109 3.977 4.290 . 0 0 "[ . 1 . 2 . 3]" 1 2031 1 118 ALA H 1 120 GLU H 4.000 . 5.000 4.618 4.557 4.823 . 0 0 "[ . 1 . 2 . 3]" 1 2032 1 121 PHE H 1 123 HIS H 4.000 . 5.000 4.300 4.212 4.402 . 0 0 "[ . 1 . 2 . 3]" 1 2033 1 122 GLY H 1 124 SER H 4.000 . 5.000 4.161 4.106 4.205 . 0 0 "[ . 1 . 2 . 3]" 1 2034 1 123 HIS H 1 125 LEU H 4.000 . 5.000 3.931 3.852 4.008 . 0 0 "[ . 1 . 2 . 3]" 1 2035 1 136 LEU H 1 138 PHE H 4.000 . 5.000 4.326 4.159 4.493 . 0 0 "[ . 1 . 2 . 3]" 1 2036 1 125 LEU H 1 127 LEU H 4.000 . 5.000 3.513 3.451 3.867 . 0 0 "[ . 1 . 2 . 3]" 1 2037 1 153 ASP H 1 155 ASP H 4.000 . 5.000 4.498 4.465 4.541 . 0 0 "[ . 1 . 2 . 3]" 1 2038 1 154 ASP H 1 156 VAL H 4.000 . 5.000 4.176 4.135 4.210 . 0 0 "[ . 1 . 2 . 3]" 1 2039 1 155 ASP H 1 157 GLN H 4.000 . 5.000 4.305 4.232 4.374 . 0 0 "[ . 1 . 2 . 3]" 1 2040 1 156 VAL H 1 158 GLY H 4.000 . 5.000 4.157 4.087 4.199 . 0 0 "[ . 1 . 2 . 3]" 1 2041 1 159 ILE H 1 161 SER H 4.000 . 5.000 4.192 4.108 4.246 . 0 0 "[ . 1 . 2 . 3]" 1 2042 1 162 LEU H 1 164 GLY H 4.000 . 5.000 3.394 3.289 3.504 . 0 0 "[ . 1 . 2 . 3]" 1 2043 1 7 THR HA 1 8 LEU H 4.000 . 5.000 3.567 3.328 3.593 . 0 0 "[ . 1 . 2 . 3]" 1 2044 1 8 LEU HA 1 9 LYS H 2.500 . 2.900 2.229 2.183 2.313 . 0 0 "[ . 1 . 2 . 3]" 1 2045 1 9 LYS HA 1 10 TRP H 2.500 . 2.900 2.420 2.382 2.476 . 0 0 "[ . 1 . 2 . 3]" 1 2046 1 11 SER HA 1 12 LYS H 4.000 . 5.000 3.310 3.135 3.563 . 0 0 "[ . 1 . 2 . 3]" 1 2047 1 12 LYS HA 1 13 MET H 2.500 . 2.900 2.322 2.238 2.380 . 0 0 "[ . 1 . 2 . 3]" 1 2048 1 13 MET HA 1 14 ASN H 3.000 . 3.500 3.299 3.284 3.331 . 0 0 "[ . 1 . 2 . 3]" 1 2049 1 14 ASN HA 1 15 LEU H 2.500 . 2.900 2.203 2.176 2.233 . 0 0 "[ . 1 . 2 . 3]" 1 2050 1 15 LEU HA 1 16 THR H 2.500 . 2.900 2.291 2.260 2.318 . 0 0 "[ . 1 . 2 . 3]" 1 2051 1 16 THR HA 1 17 TYR H 2.500 . 2.900 2.365 2.333 2.409 . 0 0 "[ . 1 . 2 . 3]" 1 2052 1 17 TYR HA 1 18 ARG H 2.500 . 2.900 2.365 2.327 2.394 . 0 0 "[ . 1 . 2 . 3]" 1 2053 1 18 ARG HA 1 19 ILE H 2.500 . 2.900 2.221 2.200 2.272 . 0 0 "[ . 1 . 2 . 3]" 1 2054 1 19 ILE HA 1 20 VAL H 2.500 . 2.900 2.200 2.179 2.220 . 0 0 "[ . 1 . 2 . 3]" 1 2055 1 20 VAL HA 1 21 ASN H 4.000 . 5.000 3.576 3.547 3.610 . 0 0 "[ . 1 . 2 . 3]" 1 2056 1 21 ASN HA 1 22 TYR H 3.000 . 4.000 2.306 2.211 2.380 . 0 0 "[ . 1 . 2 . 3]" 1 2057 1 24 PRO HA 1 25 ASP H 4.000 . 5.000 3.398 3.324 3.528 . 0 0 "[ . 1 . 2 . 3]" 1 2058 1 25 ASP HA 1 26 MET H 4.000 . 5.000 3.536 3.421 3.565 . 0 0 "[ . 1 . 2 . 3]" 1 2059 1 26 MET HA 1 27 THR H 3.000 . 4.000 2.408 2.279 2.494 . 0 0 "[ . 1 . 2 . 3]" 1 2060 1 29 SER HA 1 30 GLU H 4.000 . 5.000 3.567 3.553 3.578 . 0 0 "[ . 1 . 2 . 3]" 1 2061 1 30 GLU HA 1 31 VAL H 4.000 . 5.000 3.551 3.529 3.565 . 0 0 "[ . 1 . 2 . 3]" 1 2062 1 31 VAL HA 1 32 GLU H 4.000 . 5.000 3.568 3.543 3.579 . 0 0 "[ . 1 . 2 . 3]" 1 2063 1 32 GLU HA 1 33 LYS H 4.000 . 5.000 3.595 3.564 3.619 . 0 0 "[ . 1 . 2 . 3]" 1 2064 1 33 LYS HA 1 34 ALA H 4.000 . 5.000 3.529 3.506 3.551 . 0 0 "[ . 1 . 2 . 3]" 1 2065 1 34 ALA HA 1 35 PHE H 4.000 . 5.000 3.591 3.583 3.604 . 0 0 "[ . 1 . 2 . 3]" 1 2066 1 35 PHE HA 1 36 LYS H 4.000 . 5.000 3.558 3.549 3.577 . 0 0 "[ . 1 . 2 . 3]" 1 2067 1 36 LYS HA 1 37 LYS H 4.000 . 5.000 3.570 3.557 3.581 . 0 0 "[ . 1 . 2 . 3]" 1 2068 1 37 LYS HA 1 38 ALA H 4.000 . 5.000 3.553 3.542 3.564 . 0 0 "[ . 1 . 2 . 3]" 1 2069 1 38 ALA HA 1 39 PHE H 4.000 . 5.000 3.583 3.574 3.600 . 0 0 "[ . 1 . 2 . 3]" 1 2070 1 39 PHE HA 1 40 LYS H 4.000 . 5.000 3.554 3.536 3.567 . 0 0 "[ . 1 . 2 . 3]" 1 2071 1 40 LYS HA 1 41 VAL H 4.000 . 5.000 3.579 3.557 3.612 . 0 0 "[ . 1 . 2 . 3]" 1 2072 1 41 VAL HA 1 42 TRP H 4.000 . 5.000 3.572 3.556 3.583 . 0 0 "[ . 1 . 2 . 3]" 1 2073 1 42 TRP HA 1 43 SER H 4.000 . 5.000 3.544 3.524 3.568 . 0 0 "[ . 1 . 2 . 3]" 1 2074 1 43 SER HA 1 44 ASP H 4.000 . 5.000 3.444 3.406 3.476 . 0 0 "[ . 1 . 2 . 3]" 1 2075 1 44 ASP HA 1 45 VAL H 4.000 . 5.000 3.567 3.556 3.582 . 0 0 "[ . 1 . 2 . 3]" 1 2076 1 45 VAL HA 1 46 THR H 4.000 . 5.000 3.224 2.938 3.511 . 0 0 "[ . 1 . 2 . 3]" 1 2077 1 47 PRO HA 1 48 LEU H 3.000 . 3.500 3.181 3.127 3.256 . 0 0 "[ . 1 . 2 . 3]" 1 2078 1 48 LEU HA 1 49 ASN H 2.500 . 2.900 2.213 2.170 2.253 . 0 0 "[ . 1 . 2 . 3]" 1 2079 1 49 ASN HA 1 50 PHE H 2.500 . 2.900 2.198 2.187 2.213 . 0 0 "[ . 1 . 2 . 3]" 1 2080 1 50 PHE HA 1 51 THR H 2.500 . 2.900 2.179 2.164 2.198 . 0 0 "[ . 1 . 2 . 3]" 1 2081 1 51 THR HA 1 52 ARG H 2.500 . 2.900 2.191 2.176 2.200 . 0 0 "[ . 1 . 2 . 3]" 1 2082 1 52 ARG HA 1 53 LEU H 2.500 . 2.900 2.226 2.208 2.252 . 0 0 "[ . 1 . 2 . 3]" 1 2083 1 54 HIS HA 1 55 ASP H 4.000 . 5.000 3.542 3.425 3.567 . 0 0 "[ . 1 . 2 . 3]" 1 2084 1 55 ASP HA 1 56 GLY H 2.500 . 2.900 2.504 2.385 2.672 . 0 0 "[ . 1 . 2 . 3]" 1 2085 1 56 GLY QA 1 57 ILE H 2.500 . 3.900 2.316 2.294 2.331 . 0 0 "[ . 1 . 2 . 3]" 1 2086 1 57 ILE HA 1 58 ALA H 2.500 . 2.900 2.217 2.189 2.243 . 0 0 "[ . 1 . 2 . 3]" 1 2087 1 58 ALA HA 1 59 ASP H 2.500 . 2.900 2.419 2.340 2.545 . 0 0 "[ . 1 . 2 . 3]" 1 2088 1 59 ASP HA 1 60 ILE H 4.000 . 5.000 3.580 3.566 3.587 . 0 0 "[ . 1 . 2 . 3]" 1 2089 1 60 ILE HA 1 61 MET H 2.500 . 2.900 2.239 2.183 2.291 . 0 0 "[ . 1 . 2 . 3]" 1 2090 1 61 MET HA 1 62 ILE H 2.500 . 2.900 2.185 2.136 2.225 . 0 0 "[ . 1 . 2 . 3]" 1 2091 1 62 ILE HA 1 63 SER H 2.500 . 2.900 2.223 2.190 2.245 . 0 0 "[ . 1 . 2 . 3]" 1 2092 1 63 SER HA 1 64 PHE H 2.500 . 2.900 2.354 2.285 2.394 . 0 0 "[ . 1 . 2 . 3]" 1 2093 1 64 PHE HA 1 65 GLY H 2.500 . 2.900 2.204 2.165 2.304 . 0 0 "[ . 1 . 2 . 3]" 1 2094 1 65 GLY QA 1 66 ILE H 2.500 . 3.900 2.277 2.212 2.316 . 0 0 "[ . 1 . 2 . 3]" 1 2095 1 66 ILE HA 1 67 LYS H 2.500 . 2.900 2.459 2.304 2.646 . 0 0 "[ . 1 . 2 . 3]" 1 2096 1 67 LYS HA 1 68 GLU H 4.000 . 5.000 3.546 3.433 3.577 . 0 0 "[ . 1 . 2 . 3]" 1 2097 1 74 PRO HA 1 75 PHE H 2.500 . 2.900 2.576 2.245 2.943 0.043 1 0 "[ . 1 . 2 . 3]" 1 2098 1 75 PHE HA 1 76 ASP H 4.000 . 5.000 2.488 2.313 2.696 . 0 0 "[ . 1 . 2 . 3]" 1 2099 1 76 ASP HA 1 77 GLY H 3.000 . 3.500 3.259 3.116 3.364 . 0 0 "[ . 1 . 2 . 3]" 1 2100 1 79 SER HA 1 80 GLY H 2.500 . 2.900 2.437 2.372 2.621 . 0 0 "[ . 1 . 2 . 3]" 1 2101 1 80 GLY QA 1 81 LEU H 2.500 . 3.900 2.154 2.138 2.183 . 0 0 "[ . 1 . 2 . 3]" 1 2102 1 81 LEU HA 1 82 LEU H 2.500 . 2.900 2.222 2.189 2.250 . 0 0 "[ . 1 . 2 . 3]" 1 2103 1 82 LEU HA 1 83 ALA H 4.000 . 5.000 3.450 3.398 3.514 . 0 0 "[ . 1 . 2 . 3]" 1 2104 1 83 ALA HA 1 84 HIS H 2.500 . 2.900 2.531 2.429 2.597 . 0 0 "[ . 1 . 2 . 3]" 1 2105 1 84 HIS HA 1 85 ALA H 3.000 . 3.500 2.402 2.324 2.521 . 0 0 "[ . 1 . 2 . 3]" 1 2106 1 85 ALA HA 1 86 PHE H 2.500 . 2.900 2.399 2.349 2.487 . 0 0 "[ . 1 . 2 . 3]" 1 2107 1 92 TYR HA 1 93 GLY H 4.000 . 5.000 3.536 3.370 3.575 . 0 0 "[ . 1 . 2 . 3]" 1 2108 1 93 GLY QA 1 94 GLY H 2.500 . 3.900 2.308 2.288 2.330 . 0 0 "[ . 1 . 2 . 3]" 1 2109 1 94 GLY QA 1 95 ASP H 4.000 . 6.000 2.802 2.396 2.945 . 0 0 "[ . 1 . 2 . 3]" 1 2110 1 95 ASP HA 1 96 ALA H 2.500 . 2.900 2.471 2.388 2.530 . 0 0 "[ . 1 . 2 . 3]" 1 2111 1 96 ALA HA 1 97 HIS H 2.500 . 2.900 2.177 2.160 2.228 . 0 0 "[ . 1 . 2 . 3]" 1 2112 1 97 HIS HA 1 98 PHE H 2.500 . 2.900 2.248 2.169 2.352 . 0 0 "[ . 1 . 2 . 3]" 1 2113 1 98 PHE HA 1 99 ASP H 2.500 . 2.900 2.318 2.252 2.383 . 0 0 "[ . 1 . 2 . 3]" 1 2114 1 99 ASP HA 1 100 ASP H 2.500 . 2.900 2.192 2.166 2.220 . 0 0 "[ . 1 . 2 . 3]" 1 2115 1 100 ASP HA 1 101 ASP H 4.000 . 5.000 3.352 3.272 3.407 . 0 0 "[ . 1 . 2 . 3]" 1 2116 1 101 ASP HA 1 102 GLU H 4.000 . 5.000 3.403 3.364 3.450 . 0 0 "[ . 1 . 2 . 3]" 1 2117 1 102 GLU HA 1 103 THR H 2.500 . 2.900 2.503 2.461 2.571 . 0 0 "[ . 1 . 2 . 3]" 1 2118 1 103 THR HA 1 104 TRP H 2.500 . 2.900 2.207 2.178 2.228 . 0 0 "[ . 1 . 2 . 3]" 1 2119 1 104 TRP HA 1 105 THR H 2.500 . 2.900 2.186 2.158 2.210 . 0 0 "[ . 1 . 2 . 3]" 1 2120 1 109 LYS HA 1 110 GLY H 2.500 . 2.900 2.318 2.280 2.364 . 0 0 "[ . 1 . 2 . 3]" 1 2121 1 110 GLY QA 1 111 TYR H 2.500 . 3.900 2.186 2.166 2.213 . 0 0 "[ . 1 . 2 . 3]" 1 2122 1 111 TYR HA 1 112 ASN H 2.500 . 2.900 2.201 2.175 2.224 . 0 0 "[ . 1 . 2 . 3]" 1 2123 1 112 ASN HA 1 113 LEU H 3.000 . 3.500 2.196 2.181 2.218 . 0 0 "[ . 1 . 2 . 3]" 1 2124 1 113 LEU HA 1 114 PHE H 4.000 . 5.000 3.566 3.543 3.583 . 0 0 "[ . 1 . 2 . 3]" 1 2125 1 114 PHE HA 1 115 LEU H 4.000 . 5.000 3.584 3.563 3.601 . 0 0 "[ . 1 . 2 . 3]" 1 2126 1 115 LEU HA 1 116 VAL H 4.000 . 5.000 3.585 3.568 3.602 . 0 0 "[ . 1 . 2 . 3]" 1 2127 1 116 VAL HA 1 117 ALA H 4.000 . 5.000 3.564 3.550 3.576 . 0 0 "[ . 1 . 2 . 3]" 1 2128 1 117 ALA HA 1 118 ALA H 4.000 . 5.000 3.578 3.566 3.596 . 0 0 "[ . 1 . 2 . 3]" 1 2129 1 118 ALA HA 1 119 HIS H 4.000 . 5.000 3.546 3.531 3.567 . 0 0 "[ . 1 . 2 . 3]" 1 2130 1 119 HIS HA 1 120 GLU H 4.000 . 5.000 3.612 3.602 3.628 . 0 0 "[ . 1 . 2 . 3]" 1 2131 1 120 GLU HA 1 121 PHE H 4.000 . 5.000 3.565 3.532 3.590 . 0 0 "[ . 1 . 2 . 3]" 1 2132 1 121 PHE HA 1 122 GLY H 4.000 . 5.000 3.550 3.542 3.567 . 0 0 "[ . 1 . 2 . 3]" 1 2133 1 122 GLY QA 1 123 HIS H 4.000 . 6.000 2.715 2.664 2.755 . 0 0 "[ . 1 . 2 . 3]" 1 2134 1 123 HIS HA 1 124 SER H 4.000 . 5.000 3.550 3.542 3.559 . 0 0 "[ . 1 . 2 . 3]" 1 2135 1 124 SER HA 1 125 LEU H 4.000 . 5.000 3.481 3.456 3.528 . 0 0 "[ . 1 . 2 . 3]" 1 2136 1 125 LEU HA 1 126 GLY H 3.000 . 3.500 3.316 3.267 3.550 0.050 12 0 "[ . 1 . 2 . 3]" 1 2137 1 126 GLY QA 1 127 LEU H 4.000 . 6.000 2.944 2.935 2.957 . 0 0 "[ . 1 . 2 . 3]" 1 2138 1 127 LEU HA 1 128 ASP H 2.500 . 2.900 2.266 2.220 2.297 . 0 0 "[ . 1 . 2 . 3]" 1 2139 1 128 ASP HA 1 129 HIS H 3.000 . 3.500 2.542 2.500 2.630 . 0 0 "[ . 1 . 2 . 3]" 1 2140 1 129 HIS HA 1 130 SER H 2.500 . 2.900 2.224 2.194 2.249 . 0 0 "[ . 1 . 2 . 3]" 1 2141 1 130 SER HA 1 131 LYS H 2.500 . 2.900 2.360 2.291 2.439 . 0 0 "[ . 1 . 2 . 3]" 1 2142 1 131 LYS HA 1 132 ASP H 3.000 . 3.500 3.274 3.217 3.320 . 0 0 "[ . 1 . 2 . 3]" 1 2143 1 134 GLY QA 1 135 ALA H 3.000 . 4.500 2.934 2.913 2.946 . 0 0 "[ . 1 . 2 . 3]" 1 2144 1 136 LEU HA 1 137 MET H 4.000 . 5.000 3.525 3.494 3.554 . 0 0 "[ . 1 . 2 . 3]" 1 2145 1 137 MET HA 1 138 PHE H 4.000 . 5.000 3.127 3.038 3.249 . 0 0 "[ . 1 . 2 . 3]" 1 2146 1 140 ILE HA 1 141 TYR H 2.500 . 2.900 2.207 2.181 2.233 . 0 0 "[ . 1 . 2 . 3]" 1 2147 1 141 TYR HA 1 142 THR H 2.500 . 2.900 2.191 2.173 2.217 . 0 0 "[ . 1 . 2 . 3]" 1 2148 1 144 THR HA 1 145 GLY H 4.000 . 5.000 2.315 2.201 2.410 . 0 0 "[ . 1 . 2 . 3]" 1 2149 1 145 GLY QA 1 146 LYS H 4.000 . 6.000 2.190 2.155 2.235 . 0 0 "[ . 1 . 2 . 3]" 1 2150 1 149 PHE HA 1 150 MET H 2.500 . 2.900 2.204 2.169 2.234 . 0 0 "[ . 1 . 2 . 3]" 1 2151 1 150 MET HA 1 151 LEU H 2.500 . 2.900 2.302 2.255 2.343 . 0 0 "[ . 1 . 2 . 3]" 1 2152 1 153 ASP HA 1 154 ASP H 4.000 . 5.000 3.556 3.548 3.564 . 0 0 "[ . 1 . 2 . 3]" 1 2153 1 154 ASP HA 1 155 ASP H 4.000 . 5.000 3.584 3.571 3.594 . 0 0 "[ . 1 . 2 . 3]" 1 2154 1 155 ASP HA 1 156 VAL H 4.000 . 5.000 3.563 3.554 3.572 . 0 0 "[ . 1 . 2 . 3]" 1 2155 1 156 VAL HA 1 157 GLN H 4.000 . 5.000 3.572 3.556 3.586 . 0 0 "[ . 1 . 2 . 3]" 1 2156 1 157 GLN HA 1 158 GLY H 4.000 . 5.000 3.558 3.547 3.564 . 0 0 "[ . 1 . 2 . 3]" 1 2157 1 158 GLY QA 1 159 ILE H 3.000 . 4.500 2.634 2.604 2.701 . 0 0 "[ . 1 . 2 . 3]" 1 2158 1 159 ILE HA 1 160 GLN H 4.000 . 5.000 3.554 3.542 3.583 . 0 0 "[ . 1 . 2 . 3]" 1 2159 1 160 GLN HA 1 161 SER H 4.000 . 5.000 3.548 3.532 3.559 . 0 0 "[ . 1 . 2 . 3]" 1 2160 1 161 SER HA 1 162 LEU H 4.000 . 5.000 3.527 3.486 3.557 . 0 0 "[ . 1 . 2 . 3]" 1 2161 1 162 LEU HA 1 163 TYR H 4.000 . 5.000 3.590 3.581 3.602 . 0 0 "[ . 1 . 2 . 3]" 1 2162 1 163 TYR HA 1 164 GLY H 3.000 . 3.500 3.388 3.369 3.490 . 0 0 "[ . 1 . 2 . 3]" 1 2163 1 10 TRP HA 1 12 LYS H 4.000 . 5.000 3.813 3.688 4.119 . 0 0 "[ . 1 . 2 . 3]" 1 2164 1 12 LYS HA 1 14 ASN H 4.000 . 5.000 3.838 3.677 3.907 . 0 0 "[ . 1 . 2 . 3]" 1 2165 1 19 ILE HA 1 21 ASN H 4.000 . 5.000 3.928 3.863 4.009 . 0 0 "[ . 1 . 2 . 3]" 1 2166 1 23 THR HA 1 25 ASP H 4.000 . 5.000 3.786 3.584 4.267 . 0 0 "[ . 1 . 2 . 3]" 1 2167 1 29 SER HA 1 31 VAL H 4.000 . 5.000 4.521 4.425 4.667 . 0 0 "[ . 1 . 2 . 3]" 1 2168 1 32 GLU HA 1 34 ALA H 4.000 . 5.000 4.276 4.194 4.430 . 0 0 "[ . 1 . 2 . 3]" 1 2169 1 37 LYS HA 1 39 PHE H 4.000 . 5.000 4.581 4.453 4.707 . 0 0 "[ . 1 . 2 . 3]" 1 2170 1 38 ALA HA 1 40 LYS H 4.000 . 5.000 4.498 4.331 4.580 . 0 0 "[ . 1 . 2 . 3]" 1 2171 1 40 LYS HA 1 42 TRP H 4.000 . 5.000 4.486 4.425 4.584 . 0 0 "[ . 1 . 2 . 3]" 1 2172 1 42 TRP HA 1 44 ASP H 4.000 . 5.000 3.876 3.724 4.041 . 0 0 "[ . 1 . 2 . 3]" 1 2173 1 43 SER HA 1 45 VAL H 4.000 . 5.000 4.122 4.042 4.195 . 0 0 "[ . 1 . 2 . 3]" 1 2174 1 44 ASP HA 1 46 THR H 4.000 . 5.000 4.379 4.082 4.832 . 0 0 "[ . 1 . 2 . 3]" 1 2175 1 46 THR HA 1 48 LEU H 4.000 . 5.000 3.780 3.541 3.930 . 0 0 "[ . 1 . 2 . 3]" 1 2176 1 58 ALA HA 1 60 ILE H 4.000 . 5.000 4.583 4.506 4.692 . 0 0 "[ . 1 . 2 . 3]" 1 2177 1 81 LEU HA 1 83 ALA H 4.000 . 5.000 3.416 3.286 3.629 . 0 0 "[ . 1 . 2 . 3]" 1 2178 1 99 ASP HA 1 101 ASP H 4.000 . 5.000 3.473 3.396 3.553 . 0 0 "[ . 1 . 2 . 3]" 1 2179 1 100 ASP HA 1 102 GLU H 4.000 . 5.000 3.598 3.430 3.736 . 0 0 "[ . 1 . 2 . 3]" 1 2180 1 116 VAL HA 1 118 ALA H 4.000 . 5.000 4.670 4.582 4.747 . 0 0 "[ . 1 . 2 . 3]" 1 2181 1 117 ALA HA 1 119 HIS H 4.000 . 5.000 4.375 4.164 4.499 . 0 0 "[ . 1 . 2 . 3]" 1 2182 1 119 HIS HA 1 121 PHE H 4.000 . 5.000 4.461 4.301 4.631 . 0 0 "[ . 1 . 2 . 3]" 1 2183 1 130 SER HA 1 132 ASP H 4.000 . 5.000 3.878 3.793 3.966 . 0 0 "[ . 1 . 2 . 3]" 1 2184 1 132 ASP HA 1 134 GLY H 4.000 . 5.000 3.863 3.676 4.060 . 0 0 "[ . 1 . 2 . 3]" 1 2185 1 136 LEU HA 1 138 PHE H 4.000 . 5.000 3.326 3.248 3.435 . 0 0 "[ . 1 . 2 . 3]" 1 2186 1 152 PRO HA 1 154 ASP H 4.000 . 5.000 4.518 4.452 4.581 . 0 0 "[ . 1 . 2 . 3]" 1 2187 1 153 ASP HA 1 155 ASP H 4.000 . 5.000 4.552 4.440 4.606 . 0 0 "[ . 1 . 2 . 3]" 1 2188 1 162 LEU HA 1 164 GLY H 4.000 . 5.000 4.272 4.162 4.710 . 0 0 "[ . 1 . 2 . 3]" 1 2189 1 28 HIS HA 1 31 VAL H 4.000 . 5.000 3.479 3.207 3.680 . 0 0 "[ . 1 . 2 . 3]" 1 2190 1 29 SER HA 1 32 GLU H 4.000 . 5.000 3.619 3.456 3.758 . 0 0 "[ . 1 . 2 . 3]" 1 2191 1 30 GLU HA 1 33 LYS H 4.000 . 5.000 3.882 3.791 4.044 . 0 0 "[ . 1 . 2 . 3]" 1 2192 1 31 VAL HA 1 34 ALA H 4.000 . 5.000 3.517 3.409 3.677 . 0 0 "[ . 1 . 2 . 3]" 1 2193 1 32 GLU HA 1 35 PHE H 4.000 . 5.000 3.741 3.543 3.988 . 0 0 "[ . 1 . 2 . 3]" 1 2194 1 33 LYS HA 1 36 LYS H 4.000 . 5.000 3.325 3.207 3.432 . 0 0 "[ . 1 . 2 . 3]" 1 2195 1 35 PHE HA 1 38 ALA H 4.000 . 5.000 3.333 3.266 3.414 . 0 0 "[ . 1 . 2 . 3]" 1 2196 1 37 LYS HA 1 40 LYS H 4.000 . 5.000 3.474 3.338 3.625 . 0 0 "[ . 1 . 2 . 3]" 1 2197 1 38 ALA HA 1 41 VAL H 4.000 . 5.000 3.732 3.635 3.812 . 0 0 "[ . 1 . 2 . 3]" 1 2198 1 39 PHE HA 1 42 TRP H 4.000 . 5.000 3.475 3.382 3.653 . 0 0 "[ . 1 . 2 . 3]" 1 2199 1 40 LYS HA 1 43 SER H 4.000 . 5.000 3.488 3.376 3.578 . 0 0 "[ . 1 . 2 . 3]" 1 2200 1 41 VAL HA 1 44 ASP H 4.000 . 5.000 3.766 3.685 3.884 . 0 0 "[ . 1 . 2 . 3]" 1 2201 1 42 TRP HA 1 45 VAL H 4.000 . 5.000 3.856 3.665 3.989 . 0 0 "[ . 1 . 2 . 3]" 1 2202 1 43 SER HA 1 46 THR H 4.000 . 5.000 3.245 3.075 3.439 . 0 0 "[ . 1 . 2 . 3]" 1 2203 1 113 LEU HA 1 116 VAL H 4.000 . 5.000 3.746 3.662 3.869 . 0 0 "[ . 1 . 2 . 3]" 1 2204 1 114 PHE HA 1 117 ALA H 4.000 . 5.000 3.533 3.418 3.691 . 0 0 "[ . 1 . 2 . 3]" 1 2205 1 115 LEU HA 1 118 ALA H 4.000 . 5.000 3.992 3.853 4.132 . 0 0 "[ . 1 . 2 . 3]" 1 2206 1 116 VAL HA 1 119 HIS H 4.000 . 5.000 3.431 3.252 3.527 . 0 0 "[ . 1 . 2 . 3]" 1 2207 1 117 ALA HA 1 120 GLU H 4.000 . 5.000 3.744 3.616 3.868 . 0 0 "[ . 1 . 2 . 3]" 1 2208 1 118 ALA HA 1 121 PHE H 4.000 . 5.000 3.719 3.605 3.884 . 0 0 "[ . 1 . 2 . 3]" 1 2209 1 119 HIS HA 1 122 GLY H 4.000 . 5.000 3.491 3.394 3.606 . 0 0 "[ . 1 . 2 . 3]" 1 2210 1 120 GLU HA 1 123 HIS H 4.000 . 5.000 3.334 3.130 3.431 . 0 0 "[ . 1 . 2 . 3]" 1 2211 1 121 PHE HA 1 124 SER H 4.000 . 5.000 3.228 3.116 3.335 . 0 0 "[ . 1 . 2 . 3]" 1 2212 1 122 GLY QA 1 125 LEU H 4.000 . 6.000 3.349 3.257 3.466 . 0 0 "[ . 1 . 2 . 3]" 1 2213 1 123 HIS HA 1 126 GLY H 4.000 . 5.000 3.619 3.450 3.772 . 0 0 "[ . 1 . 2 . 3]" 1 2214 1 153 ASP HA 1 156 VAL H 4.000 . 5.000 3.390 3.245 3.451 . 0 0 "[ . 1 . 2 . 3]" 1 2215 1 154 ASP HA 1 157 GLN H 4.000 . 5.000 3.873 3.728 3.979 . 0 0 "[ . 1 . 2 . 3]" 1 2216 1 155 ASP HA 1 158 GLY H 4.000 . 5.000 3.420 3.364 3.552 . 0 0 "[ . 1 . 2 . 3]" 1 2217 1 156 VAL HA 1 159 ILE H 4.000 . 5.000 3.824 3.724 3.883 . 0 0 "[ . 1 . 2 . 3]" 1 2218 1 157 GLN HA 1 160 GLN H 4.000 . 5.000 3.980 3.882 4.100 . 0 0 "[ . 1 . 2 . 3]" 1 2219 1 158 GLY QA 1 161 SER H 4.000 . 6.000 3.415 3.336 3.479 . 0 0 "[ . 1 . 2 . 3]" 1 2220 1 159 ILE HA 1 162 LEU H 4.000 . 5.000 3.472 3.386 3.580 . 0 0 "[ . 1 . 2 . 3]" 1 2221 1 160 GLN HA 1 163 TYR H 4.000 . 5.000 3.640 3.301 3.868 . 0 0 "[ . 1 . 2 . 3]" 1 2222 1 161 SER HA 1 164 GLY H 4.000 . 5.000 3.959 3.741 4.500 . 0 0 "[ . 1 . 2 . 3]" 1 2223 1 29 SER HA 1 33 LYS H 4.000 . 5.000 4.148 3.995 4.269 . 0 0 "[ . 1 . 2 . 3]" 1 2224 1 32 GLU HA 1 36 LYS H 4.000 . 5.000 4.360 4.171 4.594 . 0 0 "[ . 1 . 2 . 3]" 1 2225 1 33 LYS HA 1 37 LYS H 4.000 . 5.000 3.943 3.749 4.101 . 0 0 "[ . 1 . 2 . 3]" 1 2226 1 35 PHE HA 1 39 PHE H 4.000 . 5.000 4.297 4.111 4.421 . 0 0 "[ . 1 . 2 . 3]" 1 2227 1 37 LYS HA 1 41 VAL H 4.000 . 5.000 4.038 3.858 4.229 . 0 0 "[ . 1 . 2 . 3]" 1 2228 1 40 LYS HA 1 44 ASP H 4.000 . 5.000 4.066 3.889 4.361 . 0 0 "[ . 1 . 2 . 3]" 1 2229 1 41 VAL HA 1 45 VAL H 5.000 3.000 6.000 5.415 5.119 5.698 . 0 0 "[ . 1 . 2 . 3]" 1 2230 1 113 LEU HA 1 117 ALA H 4.000 . 5.000 3.849 3.685 3.987 . 0 0 "[ . 1 . 2 . 3]" 1 2231 1 114 PHE HA 1 118 ALA H 4.000 . 5.000 3.551 3.281 3.817 . 0 0 "[ . 1 . 2 . 3]" 1 2232 1 115 LEU HA 1 119 HIS H 4.000 . 5.000 4.366 4.066 4.524 . 0 0 "[ . 1 . 2 . 3]" 1 2233 1 116 VAL HA 1 120 GLU H 4.000 . 5.000 4.080 3.887 4.169 . 0 0 "[ . 1 . 2 . 3]" 1 2234 1 117 ALA HA 1 121 PHE H 4.000 . 5.000 4.385 4.115 4.480 . 0 0 "[ . 1 . 2 . 3]" 1 2235 1 119 HIS HA 1 123 HIS H 4.000 . 5.000 4.647 4.539 4.706 . 0 0 "[ . 1 . 2 . 3]" 1 2236 1 120 GLU HA 1 124 SER H 4.000 . 5.000 4.319 4.095 4.467 . 0 0 "[ . 1 . 2 . 3]" 1 2237 1 123 HIS HA 1 127 LEU H 4.000 . 5.000 3.323 3.143 3.531 . 0 0 "[ . 1 . 2 . 3]" 1 2238 1 153 ASP HA 1 157 GLN H 4.000 . 5.000 3.665 3.439 3.907 . 0 0 "[ . 1 . 2 . 3]" 1 2239 1 154 ASP HA 1 158 GLY H 4.000 . 5.000 4.335 4.123 4.460 . 0 0 "[ . 1 . 2 . 3]" 1 2240 1 155 ASP HA 1 159 ILE H 4.000 . 5.000 3.727 3.614 3.901 . 0 0 "[ . 1 . 2 . 3]" 1 2241 1 159 ILE HA 1 163 TYR H 4.000 . 5.000 3.947 3.736 4.237 . 0 0 "[ . 1 . 2 . 3]" 1 2242 1 160 GLN HA 1 164 GLY H 4.000 . 5.000 3.113 2.396 3.378 . 0 0 "[ . 1 . 2 . 3]" 1 2243 1 28 HIS HA 1 31 VAL HB 4.000 . 5.000 2.755 2.336 3.098 . 0 0 "[ . 1 . 2 . 3]" 1 2244 1 29 SER HA 1 32 GLU HB3 4.000 . 5.000 4.424 4.007 4.652 . 0 0 "[ . 1 . 2 . 3]" 1 2245 1 29 SER HA 1 32 GLU HB2 4.000 . 5.000 2.830 2.498 3.039 . 0 0 "[ . 1 . 2 . 3]" 1 2246 1 30 GLU HA 1 33 LYS QB 4.000 . 6.000 4.224 4.110 4.667 . 0 0 "[ . 1 . 2 . 3]" 1 2247 1 31 VAL HA 1 34 ALA MB 3.000 . 4.800 2.642 2.507 2.808 . 0 0 "[ . 1 . 2 . 3]" 1 2248 1 32 GLU HA 1 35 PHE QB 4.000 . 6.000 3.455 3.279 3.807 . 0 0 "[ . 1 . 2 . 3]" 1 2249 1 33 LYS HA 1 36 LYS QB 4.000 . 6.000 2.364 2.300 2.492 . 0 0 "[ . 1 . 2 . 3]" 1 2250 1 34 ALA HA 1 37 LYS HB2 4.000 . 5.000 3.221 3.141 3.315 . 0 0 "[ . 1 . 2 . 3]" 1 2251 1 35 PHE HA 1 38 ALA MB 4.000 . 6.500 2.663 2.542 2.773 . 0 0 "[ . 1 . 2 . 3]" 1 2252 1 37 LYS HA 1 40 LYS HB3 4.000 . 5.000 2.659 2.518 2.870 . 0 0 "[ . 1 . 2 . 3]" 1 2253 1 40 LYS HA 1 43 SER HB3 4.000 . 5.000 3.666 3.430 3.905 . 0 0 "[ . 1 . 2 . 3]" 1 2254 1 41 VAL HA 1 44 ASP QB 4.000 . 6.000 3.240 2.990 3.480 . 0 0 "[ . 1 . 2 . 3]" 1 2255 1 112 ASN HA 1 115 LEU QB 4.000 . 6.000 4.701 4.622 4.820 . 0 0 "[ . 1 . 2 . 3]" 1 2256 1 113 LEU HA 1 116 VAL HB 4.000 . 5.000 3.217 3.095 3.373 . 0 0 "[ . 1 . 2 . 3]" 1 2257 1 114 PHE HA 1 117 ALA MB 4.000 . 6.500 2.375 2.287 2.550 . 0 0 "[ . 1 . 2 . 3]" 1 2258 1 115 LEU HA 1 118 ALA MB 3.000 . 4.800 3.305 3.099 3.445 . 0 0 "[ . 1 . 2 . 3]" 1 2259 1 121 PHE HA 1 124 SER QB 4.000 . 6.000 3.082 2.844 3.266 . 0 0 "[ . 1 . 2 . 3]" 1 2260 1 153 ASP HA 1 156 VAL HB 4.000 . 5.000 2.354 2.306 2.453 . 0 0 "[ . 1 . 2 . 3]" 1 2261 1 154 ASP HA 1 157 GLN QB 4.000 . 6.000 3.084 2.984 3.195 . 0 0 "[ . 1 . 2 . 3]" 1 2262 1 159 ILE HA 1 162 LEU HB2 4.000 . 5.000 3.036 2.686 3.346 . 0 0 "[ . 1 . 2 . 3]" 1 stop_ save_ save_distance_constraint_statistics_2 _Distance_constraint_stats_list.Sf_category distance_constraint_statistics _Distance_constraint_stats_list.Constraint_list_ID 2 _Distance_constraint_stats_list.Constraint_count 29 _Distance_constraint_stats_list.Viol_count 290 _Distance_constraint_stats_list.Viol_total 481.959 _Distance_constraint_stats_list.Viol_max 0.173 _Distance_constraint_stats_list.Viol_rms 0.0344 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0185 _Distance_constraint_stats_list.Viol_average_violations_only 0.0554 _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 14 ASN 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 15 LEU 1.426 0.101 28 0 "[ . 1 . 2 . 3]" 1 16 THR 3.296 0.150 18 0 "[ . 1 . 2 . 3]" 1 17 TYR 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 18 ARG 3.905 0.173 12 0 "[ . 1 . 2 . 3]" 1 19 ILE 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 20 VAL 0.404 0.087 10 0 "[ . 1 . 2 . 3]" 1 49 ASN 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 50 PHE 1.426 0.101 28 0 "[ . 1 . 2 . 3]" 1 51 THR 2.797 0.150 18 0 "[ . 1 . 2 . 3]" 1 52 ARG 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 53 LEU 0.516 0.125 3 0 "[ . 1 . 2 . 3]" 1 59 ASP 0.499 0.083 20 0 "[ . 1 . 2 . 3]" 1 60 ILE 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 61 MET 3.519 0.173 12 0 "[ . 1 . 2 . 3]" 1 62 ILE 0.613 0.131 22 0 "[ . 1 . 2 . 3]" 1 63 SER 0.374 0.087 10 0 "[ . 1 . 2 . 3]" 1 64 PHE 1.012 0.115 2 0 "[ . 1 . 2 . 3]" 1 65 GLY 1.643 0.138 2 0 "[ . 1 . 2 . 3]" 1 66 ILE 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 83 ALA 2.021 0.127 24 0 "[ . 1 . 2 . 3]" 1 84 HIS 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 85 ALA 1.645 0.114 22 0 "[ . 1 . 2 . 3]" 1 86 PHE 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 95 ASP 0.483 0.140 22 0 "[ . 1 . 2 . 3]" 1 96 ALA 0.512 0.053 10 0 "[ . 1 . 2 . 3]" 1 97 HIS 1.363 0.114 22 0 "[ . 1 . 2 . 3]" 1 98 PHE 1.488 0.115 2 0 "[ . 1 . 2 . 3]" 1 99 ASP 2.138 0.127 24 0 "[ . 1 . 2 . 3]" 1 100 ASP 1.051 0.138 2 0 "[ . 1 . 2 . 3]" stop_ loop_ _Distance_constraint_stats.Restraint_ID _Distance_constraint_stats.Atom_1_entity_assembly_ID _Distance_constraint_stats.Atom_1_comp_index_ID _Distance_constraint_stats.Atom_1_comp_ID _Distance_constraint_stats.Atom_1_ID _Distance_constraint_stats.Atom_2_entity_assembly_ID _Distance_constraint_stats.Atom_2_comp_index_ID _Distance_constraint_stats.Atom_2_comp_ID _Distance_constraint_stats.Atom_2_ID _Distance_constraint_stats.Node_1_distance_val _Distance_constraint_stats.Node_1_distance_lower_bound_val _Distance_constraint_stats.Node_1_distance_upper_bound_val _Distance_constraint_stats.Distance_average _Distance_constraint_stats.Distance_minimum _Distance_constraint_stats.Distance_maximum _Distance_constraint_stats.Max_violation _Distance_constraint_stats.Max_violation_model_number _Distance_constraint_stats.Over_cutoff_violation_count _Distance_constraint_stats.Over_cutoff_viol_per_model _Distance_constraint_stats.Distance_constraint_stats_ID 1 1 83 ALA HA 1 98 PHE HA 2.500 . 2.700 2.649 2.371 2.779 0.079 24 0 "[ . 1 . 2 . 3]" 2 2 1 83 ALA HA 1 99 ASP H 3.300 2.500 3.500 3.541 3.322 3.627 0.127 24 0 "[ . 1 . 2 . 3]" 2 3 1 84 HIS H 1 98 PHE HA 4.000 . 5.000 4.062 3.826 4.275 . 0 0 "[ . 1 . 2 . 3]" 2 4 1 85 ALA HA 1 97 HIS H 3.300 2.500 3.500 3.533 3.381 3.614 0.114 22 0 "[ . 1 . 2 . 3]" 2 5 1 85 ALA HA 1 96 ALA HA 2.500 . 2.700 2.641 2.461 2.753 0.053 10 0 "[ . 1 . 2 . 3]" 2 6 1 86 PHE H 1 95 ASP H 3.300 2.500 3.500 3.169 2.727 3.430 . 0 0 "[ . 1 . 2 . 3]" 2 7 1 61 MET H 1 95 ASP HA 3.300 2.500 3.500 2.521 2.360 2.634 0.140 22 0 "[ . 1 . 2 . 3]" 2 8 1 62 ILE HA 1 96 ALA H 3.300 2.500 3.500 3.379 2.994 3.547 0.047 26 0 "[ . 1 . 2 . 3]" 2 9 1 61 MET H 1 96 ALA H 4.000 . 5.000 4.029 3.758 4.496 . 0 0 "[ . 1 . 2 . 3]" 2 10 1 63 SER H 1 96 ALA H 4.000 . 5.000 4.361 3.942 4.578 . 0 0 "[ . 1 . 2 . 3]" 2 11 1 63 SER H 1 97 HIS HA 3.300 2.500 3.500 3.098 2.782 3.533 0.033 24 0 "[ . 1 . 2 . 3]" 2 12 1 64 PHE HA 1 98 PHE H 3.300 2.500 3.500 2.486 2.385 2.634 0.115 2 0 "[ . 1 . 2 . 3]" 2 13 1 65 GLY H 1 98 PHE H 3.300 2.500 3.500 2.878 2.495 3.510 0.010 22 0 "[ . 1 . 2 . 3]" 2 14 1 65 GLY H 1 99 ASP HA 3.300 2.500 3.500 3.444 3.099 3.569 0.069 1 0 "[ . 1 . 2 . 3]" 2 15 1 65 GLY H 1 100 ASP H 3.300 2.500 3.500 3.486 3.239 3.638 0.138 2 0 "[ . 1 . 2 . 3]" 2 16 1 66 ILE HA 1 100 ASP H 3.300 2.500 3.500 2.964 2.706 3.280 . 0 0 "[ . 1 . 2 . 3]" 2 17 1 16 THR H 1 59 ASP H 3.300 2.500 3.500 3.452 3.115 3.583 0.083 20 0 "[ . 1 . 2 . 3]" 2 18 1 16 THR H 1 60 ILE H 4.000 . 5.000 3.935 3.733 4.140 . 0 0 "[ . 1 . 2 . 3]" 2 19 1 17 TYR HA 1 60 ILE H 3.300 2.500 3.500 2.741 2.568 3.009 . 0 0 "[ . 1 . 2 . 3]" 2 20 1 18 ARG H 1 61 MET HA 3.300 2.500 3.500 2.399 2.327 2.472 0.173 12 0 "[ . 1 . 2 . 3]" 2 21 1 18 ARG H 1 62 ILE H 3.300 2.500 3.500 3.469 3.289 3.631 0.131 22 0 "[ . 1 . 2 . 3]" 2 22 1 19 ILE HA 1 62 ILE H 3.300 2.500 3.500 2.995 2.776 3.339 . 0 0 "[ . 1 . 2 . 3]" 2 23 1 20 VAL H 1 62 ILE H 3.300 2.500 3.500 3.374 3.142 3.525 0.025 30 0 "[ . 1 . 2 . 3]" 2 24 1 20 VAL H 1 63 SER HA 3.300 2.500 3.500 3.478 3.378 3.587 0.087 10 0 "[ . 1 . 2 . 3]" 2 25 1 14 ASN HA 1 49 ASN H 3.300 2.500 3.500 3.251 2.961 3.490 . 0 0 "[ . 1 . 2 . 3]" 2 26 1 15 LEU H 1 50 PHE HA 3.300 2.500 3.500 3.544 3.441 3.601 0.101 28 0 "[ . 1 . 2 . 3]" 2 27 1 16 THR HA 1 51 THR H 3.300 2.500 3.500 2.407 2.350 2.468 0.150 18 0 "[ . 1 . 2 . 3]" 2 28 1 17 TYR H 1 52 ARG HA 3.300 2.500 3.500 3.061 2.842 3.307 . 0 0 "[ . 1 . 2 . 3]" 2 29 1 18 ARG HA 1 53 LEU H 3.300 2.500 3.500 3.467 3.307 3.625 0.125 3 0 "[ . 1 . 2 . 3]" 2 stop_ save_ save_distance_constraint_statistics_3 _Distance_constraint_stats_list.Sf_category distance_constraint_statistics _Distance_constraint_stats_list.Constraint_list_ID 3 _Distance_constraint_stats_list.Constraint_count 88 _Distance_constraint_stats_list.Viol_count 595 _Distance_constraint_stats_list.Viol_total 822.148 _Distance_constraint_stats_list.Viol_max 0.135 _Distance_constraint_stats_list.Viol_rms 0.0249 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0104 _Distance_constraint_stats_list.Viol_average_violations_only 0.0461 _Distance_constraint_stats_list.Cutoff_violation_report 0.500 _Distance_constraint_stats_list.Details . loop_ _Distance_constraint_stats_per_res.Atom_entity_assembly_ID _Distance_constraint_stats_per_res.Atom_comp_index_ID _Distance_constraint_stats_per_res.Atom_comp_ID _Distance_constraint_stats_per_res.Total_violation _Distance_constraint_stats_per_res.Max_violation _Distance_constraint_stats_per_res.Max_violation_model_number _Distance_constraint_stats_per_res.Over_cutoff_viol_count _Distance_constraint_stats_per_res.Over_cutoff_viol_per_model 1 15 LEU 0.074 0.042 16 0 "[ . 1 . 2 . 3]" 1 16 THR 0.079 0.055 22 0 "[ . 1 . 2 . 3]" 1 17 TYR 3.684 0.124 3 0 "[ . 1 . 2 . 3]" 1 18 ARG 2.183 0.123 20 0 "[ . 1 . 2 . 3]" 1 20 VAL 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 27 THR 0.240 0.045 30 0 "[ . 1 . 2 . 3]" 1 28 HIS 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 29 SER 0.786 0.064 17 0 "[ . 1 . 2 . 3]" 1 30 GLU 2.213 0.117 30 0 "[ . 1 . 2 . 3]" 1 31 VAL 1.450 0.079 8 0 "[ . 1 . 2 . 3]" 1 32 GLU 0.019 0.019 16 0 "[ . 1 . 2 . 3]" 1 33 LYS 0.786 0.064 17 0 "[ . 1 . 2 . 3]" 1 34 ALA 4.937 0.125 19 0 "[ . 1 . 2 . 3]" 1 35 PHE 1.210 0.079 8 0 "[ . 1 . 2 . 3]" 1 36 LYS 0.019 0.019 16 0 "[ . 1 . 2 . 3]" 1 37 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 38 ALA 2.966 0.125 19 0 "[ . 1 . 2 . 3]" 1 39 PHE 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 40 LYS 0.026 0.026 28 0 "[ . 1 . 2 . 3]" 1 41 VAL 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 42 TRP 0.243 0.046 10 0 "[ . 1 . 2 . 3]" 1 43 SER 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 44 ASP 0.026 0.026 28 0 "[ . 1 . 2 . 3]" 1 49 ASN 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 51 THR 2.885 0.124 3 0 "[ . 1 . 2 . 3]" 1 53 LEU 0.874 0.081 18 0 "[ . 1 . 2 . 3]" 1 60 ILE 2.261 0.123 20 0 "[ . 1 . 2 . 3]" 1 61 MET 1.517 0.109 11 0 "[ . 1 . 2 . 3]" 1 62 ILE 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 63 SER 2.313 0.107 21 0 "[ . 1 . 2 . 3]" 1 65 GLY 0.074 0.020 8 0 "[ . 1 . 2 . 3]" 1 82 LEU 3.251 0.124 1 0 "[ . 1 . 2 . 3]" 1 84 HIS 0.332 0.085 30 0 "[ . 1 . 2 . 3]" 1 96 ALA 3.696 0.109 11 0 "[ . 1 . 2 . 3]" 1 97 HIS 0.332 0.085 30 0 "[ . 1 . 2 . 3]" 1 98 PHE 0.168 0.052 24 0 "[ . 1 . 2 . 3]" 1 99 ASP 3.251 0.124 1 0 "[ . 1 . 2 . 3]" 1 100 ASP 0.039 0.016 13 0 "[ . 1 . 2 . 3]" 1 113 LEU 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 114 PHE 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 115 LEU 0.582 0.080 2 0 "[ . 1 . 2 . 3]" 1 116 VAL 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 117 ALA 0.835 0.066 16 0 "[ . 1 . 2 . 3]" 1 118 ALA 0.406 0.080 1 0 "[ . 1 . 2 . 3]" 1 119 HIS 3.619 0.135 26 0 "[ . 1 . 2 . 3]" 1 120 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 121 PHE 0.835 0.066 16 0 "[ . 1 . 2 . 3]" 1 122 GLY 0.406 0.080 1 0 "[ . 1 . 2 . 3]" 1 123 HIS 3.037 0.135 26 0 "[ . 1 . 2 . 3]" 1 153 ASP 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 154 ASP 0.077 0.023 28 0 "[ . 1 . 2 . 3]" 1 155 ASP 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 156 VAL 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 157 GLN 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 158 GLY 1.578 0.117 9 0 "[ . 1 . 2 . 3]" 1 159 ILE 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 160 GLN 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 161 SER 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 162 LEU 1.501 0.117 9 0 "[ . 1 . 2 . 3]" 1 163 TYR 0.000 0.000 . 0 "[ . 1 . 2 . 3]" stop_ loop_ _Distance_constraint_stats.Restraint_ID _Distance_constraint_stats.Atom_1_entity_assembly_ID _Distance_constraint_stats.Atom_1_comp_index_ID _Distance_constraint_stats.Atom_1_comp_ID _Distance_constraint_stats.Atom_1_ID _Distance_constraint_stats.Atom_2_entity_assembly_ID _Distance_constraint_stats.Atom_2_comp_index_ID _Distance_constraint_stats.Atom_2_comp_ID _Distance_constraint_stats.Atom_2_ID _Distance_constraint_stats.Node_1_distance_val _Distance_constraint_stats.Node_1_distance_lower_bound_val _Distance_constraint_stats.Node_1_distance_upper_bound_val _Distance_constraint_stats.Distance_average _Distance_constraint_stats.Distance_minimum _Distance_constraint_stats.Distance_maximum _Distance_constraint_stats.Max_violation _Distance_constraint_stats.Max_violation_model_number _Distance_constraint_stats.Over_cutoff_violation_count _Distance_constraint_stats.Over_cutoff_viol_per_model _Distance_constraint_stats.Distance_constraint_stats_ID 1 1 27 THR O 1 31 VAL H 1.800 . 2.300 2.221 1.927 2.345 0.045 30 0 "[ . 1 . 2 . 3]" 3 2 1 27 THR O 1 31 VAL N 2.800 2.400 3.300 3.171 2.884 3.303 0.003 16 0 "[ . 1 . 2 . 3]" 3 3 1 28 HIS O 1 32 GLU H 1.800 . 2.300 1.948 1.676 2.218 . 0 0 "[ . 1 . 2 . 3]" 3 4 1 28 HIS O 1 32 GLU N 2.800 2.400 3.300 2.906 2.635 3.174 . 0 0 "[ . 1 . 2 . 3]" 3 5 1 29 SER O 1 33 LYS H 1.800 . 2.300 2.307 2.214 2.364 0.064 17 0 "[ . 1 . 2 . 3]" 3 6 1 29 SER O 1 33 LYS N 2.800 2.400 3.300 3.284 3.189 3.342 0.042 17 0 "[ . 1 . 2 . 3]" 3 7 1 30 GLU O 1 34 ALA H 1.800 . 2.300 2.371 2.259 2.417 0.117 30 0 "[ . 1 . 2 . 3]" 3 8 1 30 GLU O 1 34 ALA N 2.800 2.400 3.300 3.244 3.095 3.327 0.027 17 0 "[ . 1 . 2 . 3]" 3 9 1 31 VAL O 1 35 PHE H 1.800 . 2.300 2.334 2.289 2.379 0.079 8 0 "[ . 1 . 2 . 3]" 3 10 1 31 VAL O 1 35 PHE N 2.800 2.400 3.300 3.288 3.228 3.346 0.046 8 0 "[ . 1 . 2 . 3]" 3 11 1 32 GLU O 1 36 LYS H 1.800 . 2.300 2.163 2.053 2.319 0.019 16 0 "[ . 1 . 2 . 3]" 3 12 1 32 GLU O 1 36 LYS N 2.800 2.400 3.300 3.122 3.012 3.279 . 0 0 "[ . 1 . 2 . 3]" 3 13 1 33 LYS O 1 37 LYS H 1.800 . 2.300 2.019 1.918 2.113 . 0 0 "[ . 1 . 2 . 3]" 3 14 1 33 LYS O 1 37 LYS N 2.800 2.400 3.300 2.966 2.878 3.051 . 0 0 "[ . 1 . 2 . 3]" 3 15 1 34 ALA O 1 38 ALA H 1.800 . 2.300 2.376 2.321 2.425 0.125 19 0 "[ . 1 . 2 . 3]" 3 16 1 34 ALA O 1 38 ALA N 2.800 2.400 3.300 3.306 3.246 3.354 0.054 8 0 "[ . 1 . 2 . 3]" 3 17 1 35 PHE O 1 39 PHE H 1.800 . 2.300 2.134 1.934 2.270 . 0 0 "[ . 1 . 2 . 3]" 3 18 1 35 PHE O 1 39 PHE N 2.800 2.400 3.300 3.088 2.896 3.226 . 0 0 "[ . 1 . 2 . 3]" 3 19 1 36 LYS O 1 40 LYS H 1.800 . 2.300 1.983 1.768 2.087 . 0 0 "[ . 1 . 2 . 3]" 3 20 1 36 LYS O 1 40 LYS N 2.800 2.400 3.300 2.931 2.719 3.038 . 0 0 "[ . 1 . 2 . 3]" 3 21 1 37 LYS O 1 41 VAL H 1.800 . 2.300 2.049 1.917 2.211 . 0 0 "[ . 1 . 2 . 3]" 3 22 1 37 LYS O 1 41 VAL N 2.800 2.400 3.300 3.018 2.887 3.168 . 0 0 "[ . 1 . 2 . 3]" 3 23 1 38 ALA O 1 42 TRP H 1.800 . 2.300 2.277 2.075 2.346 0.046 10 0 "[ . 1 . 2 . 3]" 3 24 1 38 ALA O 1 42 TRP N 2.800 2.400 3.300 3.222 3.022 3.288 . 0 0 "[ . 1 . 2 . 3]" 3 25 1 39 PHE O 1 43 SER H 1.800 . 2.300 1.646 1.544 1.728 . 0 0 "[ . 1 . 2 . 3]" 3 26 1 39 PHE O 1 43 SER N 2.800 2.400 3.300 2.569 2.469 2.667 . 0 0 "[ . 1 . 2 . 3]" 3 27 1 40 LYS O 1 44 ASP H 1.800 . 2.300 2.137 1.999 2.326 0.026 28 0 "[ . 1 . 2 . 3]" 3 28 1 40 LYS O 1 44 ASP N 2.800 2.400 3.300 2.871 2.776 2.991 . 0 0 "[ . 1 . 2 . 3]" 3 29 1 113 LEU O 1 117 ALA H 1.800 . 2.300 1.799 1.712 1.893 . 0 0 "[ . 1 . 2 . 3]" 3 30 1 113 LEU O 1 117 ALA N 2.800 2.400 3.300 2.746 2.639 2.852 . 0 0 "[ . 1 . 2 . 3]" 3 31 1 114 PHE O 1 118 ALA H 1.800 . 2.300 1.926 1.745 2.115 . 0 0 "[ . 1 . 2 . 3]" 3 32 1 114 PHE O 1 118 ALA N 2.800 2.400 3.300 2.893 2.688 3.090 . 0 0 "[ . 1 . 2 . 3]" 3 33 1 115 LEU O 1 119 HIS H 1.800 . 2.300 2.276 2.000 2.380 0.080 2 0 "[ . 1 . 2 . 3]" 3 34 1 115 LEU O 1 119 HIS N 2.800 2.400 3.300 3.175 2.892 3.306 0.006 2 0 "[ . 1 . 2 . 3]" 3 35 1 116 VAL O 1 120 GLU H 1.800 . 2.300 2.079 1.950 2.152 . 0 0 "[ . 1 . 2 . 3]" 3 36 1 116 VAL O 1 120 GLU N 2.800 2.400 3.300 3.050 2.926 3.123 . 0 0 "[ . 1 . 2 . 3]" 3 37 1 117 ALA O 1 121 PHE H 1.800 . 2.300 2.311 2.172 2.366 0.066 16 0 "[ . 1 . 2 . 3]" 3 38 1 117 ALA O 1 121 PHE N 2.800 2.400 3.300 3.273 3.145 3.335 0.035 16 0 "[ . 1 . 2 . 3]" 3 39 1 118 ALA O 1 122 GLY H 1.800 . 2.300 2.277 2.085 2.380 0.080 1 0 "[ . 1 . 2 . 3]" 3 40 1 118 ALA O 1 122 GLY N 2.800 2.400 3.300 3.183 2.994 3.279 . 0 0 "[ . 1 . 2 . 3]" 3 41 1 119 HIS O 1 123 HIS H 1.800 . 2.300 2.388 2.334 2.435 0.135 26 0 "[ . 1 . 2 . 3]" 3 42 1 119 HIS O 1 123 HIS N 2.800 2.400 3.300 3.307 3.247 3.363 0.063 26 0 "[ . 1 . 2 . 3]" 3 43 1 153 ASP O 1 157 GLN H 1.800 . 2.300 1.830 1.762 1.918 . 0 0 "[ . 1 . 2 . 3]" 3 44 1 153 ASP O 1 157 GLN N 2.800 2.400 3.300 2.802 2.730 2.885 . 0 0 "[ . 1 . 2 . 3]" 3 45 1 154 ASP O 1 158 GLY H 1.800 . 2.300 2.264 2.167 2.323 0.023 28 0 "[ . 1 . 2 . 3]" 3 46 1 154 ASP O 1 158 GLY N 2.800 2.400 3.300 3.180 3.080 3.240 . 0 0 "[ . 1 . 2 . 3]" 3 47 1 155 ASP O 1 159 ILE H 1.800 . 2.300 1.908 1.818 2.009 . 0 0 "[ . 1 . 2 . 3]" 3 48 1 155 ASP O 1 159 ILE N 2.800 2.400 3.300 2.876 2.786 2.977 . 0 0 "[ . 1 . 2 . 3]" 3 49 1 156 VAL O 1 160 GLN H 1.800 . 2.300 2.035 1.944 2.263 . 0 0 "[ . 1 . 2 . 3]" 3 50 1 156 VAL O 1 160 GLN N 2.800 2.400 3.300 2.960 2.862 3.234 . 0 0 "[ . 1 . 2 . 3]" 3 51 1 157 GLN O 1 161 SER H 1.800 . 2.300 2.159 1.992 2.295 . 0 0 "[ . 1 . 2 . 3]" 3 52 1 157 GLN O 1 161 SER N 2.800 2.400 3.300 3.025 2.864 3.145 . 0 0 "[ . 1 . 2 . 3]" 3 53 1 158 GLY O 1 162 LEU H 1.800 . 2.300 2.344 2.190 2.417 0.117 9 0 "[ . 1 . 2 . 3]" 3 54 1 158 GLY O 1 162 LEU N 2.800 2.400 3.300 3.172 2.953 3.263 . 0 0 "[ . 1 . 2 . 3]" 3 55 1 159 ILE O 1 163 TYR H 1.800 . 2.300 1.999 1.871 2.126 . 0 0 "[ . 1 . 2 . 3]" 3 56 1 159 ILE O 1 163 TYR N 2.800 2.400 3.300 2.963 2.833 3.101 . 0 0 "[ . 1 . 2 . 3]" 3 57 1 84 HIS O 1 97 HIS N 2.800 2.400 3.300 2.978 2.842 3.160 . 0 0 "[ . 1 . 2 . 3]" 3 58 1 84 HIS O 1 97 HIS H 1.800 . 2.300 2.019 1.872 2.217 . 0 0 "[ . 1 . 2 . 3]" 3 59 1 84 HIS N 1 97 HIS O 2.800 2.400 3.300 3.174 2.987 3.296 . 0 0 "[ . 1 . 2 . 3]" 3 60 1 84 HIS H 1 97 HIS O 1.800 . 2.300 2.278 2.098 2.385 0.085 30 0 "[ . 1 . 2 . 3]" 3 61 1 82 LEU O 1 99 ASP N 2.800 2.400 3.300 3.323 3.210 3.364 0.064 23 0 "[ . 1 . 2 . 3]" 3 62 1 82 LEU O 1 99 ASP H 1.800 . 2.300 2.378 2.283 2.424 0.124 1 0 "[ . 1 . 2 . 3]" 3 63 1 61 MET O 1 96 ALA N 2.800 2.400 3.300 3.200 3.118 3.297 . 0 0 "[ . 1 . 2 . 3]" 3 64 1 61 MET O 1 96 ALA H 1.800 . 2.300 2.350 2.281 2.409 0.109 11 0 "[ . 1 . 2 . 3]" 3 65 1 63 SER N 1 96 ALA O 2.800 2.400 3.300 3.282 3.208 3.342 0.042 21 0 "[ . 1 . 2 . 3]" 3 66 1 63 SER H 1 96 ALA O 1.800 . 2.300 2.365 2.306 2.407 0.107 21 0 "[ . 1 . 2 . 3]" 3 67 1 63 SER O 1 98 PHE N 2.800 2.400 3.300 2.968 2.749 3.231 . 0 0 "[ . 1 . 2 . 3]" 3 68 1 63 SER O 1 98 PHE H 1.800 . 2.300 2.138 1.789 2.352 0.052 24 0 "[ . 1 . 2 . 3]" 3 69 1 65 GLY N 1 98 PHE O 2.800 2.400 3.300 2.633 2.403 3.038 . 0 0 "[ . 1 . 2 . 3]" 3 70 1 65 GLY H 1 98 PHE O 1.800 . 2.300 1.716 1.480 2.073 0.020 8 0 "[ . 1 . 2 . 3]" 3 71 1 65 GLY O 1 100 ASP N 2.800 2.400 3.300 2.617 2.384 3.004 0.016 13 0 "[ . 1 . 2 . 3]" 3 72 1 65 GLY O 1 100 ASP H 1.800 . 2.300 1.727 1.491 2.051 0.009 13 0 "[ . 1 . 2 . 3]" 3 73 1 16 THR O 1 60 ILE N 2.800 2.400 3.300 3.143 2.954 3.323 0.023 22 0 "[ . 1 . 2 . 3]" 3 74 1 16 THR O 1 60 ILE H 1.800 . 2.300 2.171 1.979 2.355 0.055 22 0 "[ . 1 . 2 . 3]" 3 75 1 18 ARG N 1 60 ILE O 2.800 2.400 3.300 3.253 3.210 3.308 0.008 2 0 "[ . 1 . 2 . 3]" 3 76 1 18 ARG H 1 60 ILE O 1.800 . 2.300 2.372 2.319 2.423 0.123 20 0 "[ . 1 . 2 . 3]" 3 77 1 18 ARG O 1 62 ILE N 2.800 2.400 3.300 3.055 2.874 3.193 . 0 0 "[ . 1 . 2 . 3]" 3 78 1 18 ARG O 1 62 ILE H 1.800 . 2.300 2.103 1.894 2.273 . 0 0 "[ . 1 . 2 . 3]" 3 79 1 20 VAL N 1 62 ILE O 2.800 2.400 3.300 2.820 2.698 2.949 . 0 0 "[ . 1 . 2 . 3]" 3 80 1 20 VAL H 1 62 ILE O 1.800 . 2.300 1.865 1.750 1.990 . 0 0 "[ . 1 . 2 . 3]" 3 81 1 15 LEU N 1 49 ASN O 2.800 2.400 3.300 3.029 2.920 3.124 . 0 0 "[ . 1 . 2 . 3]" 3 82 1 15 LEU H 1 49 ASN O 1.800 . 2.300 2.130 2.030 2.262 . 0 0 "[ . 1 . 2 . 3]" 3 83 1 15 LEU O 1 51 THR N 2.800 2.400 3.300 3.155 2.975 3.247 . 0 0 "[ . 1 . 2 . 3]" 3 84 1 15 LEU O 1 51 THR H 1.800 . 2.300 2.244 2.067 2.342 0.042 16 0 "[ . 1 . 2 . 3]" 3 85 1 17 TYR N 1 51 THR O 2.800 2.400 3.300 3.304 3.247 3.342 0.042 10 0 "[ . 1 . 2 . 3]" 3 86 1 17 TYR H 1 51 THR O 1.800 . 2.300 2.383 2.346 2.424 0.124 3 0 "[ . 1 . 2 . 3]" 3 87 1 17 TYR O 1 53 LEU N 2.800 2.400 3.300 3.273 3.100 3.347 0.047 18 0 "[ . 1 . 2 . 3]" 3 88 1 17 TYR O 1 53 LEU H 1.800 . 2.300 2.312 2.128 2.381 0.081 18 0 "[ . 1 . 2 . 3]" 3 stop_ save_
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