NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
524899 | 2lit | 17904 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2lit 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 1389 _Distance_constraint_stats_list.Viol_count 3191 _Distance_constraint_stats_list.Viol_total 4010.449 _Distance_constraint_stats_list.Viol_max 0.289 _Distance_constraint_stats_list.Viol_rms 0.0262 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0072 _Distance_constraint_stats_list.Viol_average_violations_only 0.0628 _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 3 PHE 2.337 0.124 3 0 "[ . 1 . 2]" 1 4 LYS 1.751 0.088 4 0 "[ . 1 . 2]" 1 5 ALA 2.060 0.086 11 0 "[ . 1 . 2]" 1 6 GLY 0.780 0.069 8 0 "[ . 1 . 2]" 1 7 SER 0.381 0.033 3 0 "[ . 1 . 2]" 1 8 ALA 0.513 0.039 9 0 "[ . 1 . 2]" 1 9 LYS 8.589 0.235 10 0 "[ . 1 . 2]" 1 10 LYS 8.752 0.235 10 0 "[ . 1 . 2]" 1 11 GLY 2.520 0.216 6 0 "[ . 1 . 2]" 1 12 ALA 1.798 0.095 18 0 "[ . 1 . 2]" 1 13 THR 7.798 0.181 3 0 "[ . 1 . 2]" 1 14 LEU 13.859 0.289 19 0 "[ . 1 . 2]" 1 15 PHE 4.977 0.141 6 0 "[ . 1 . 2]" 1 16 LYS 2.725 0.106 10 0 "[ . 1 . 2]" 1 17 THR 1.686 0.074 19 0 "[ . 1 . 2]" 1 18 ARG 4.781 0.185 3 0 "[ . 1 . 2]" 1 19 CYS 0.857 0.178 10 0 "[ . 1 . 2]" 1 20 LEU 4.005 0.185 3 0 "[ . 1 . 2]" 1 21 GLN 0.895 0.117 5 0 "[ . 1 . 2]" 1 22 CYS 1.103 0.148 7 0 "[ . 1 . 2]" 1 23 HIS 5.155 0.178 10 0 "[ . 1 . 2]" 1 24 THR 1.751 0.165 8 0 "[ . 1 . 2]" 1 25 VAL 5.893 0.184 14 0 "[ . 1 . 2]" 1 26 GLU 0.899 0.165 8 0 "[ . 1 . 2]" 1 27 LYS 5.491 0.265 20 0 "[ . 1 . 2]" 1 28 GLY 1.461 0.202 12 0 "[ . 1 . 2]" 1 29 GLY 1.199 0.153 12 0 "[ . 1 . 2]" 1 30 PRO 0.000 0.000 . 0 "[ . 1 . 2]" 1 31 HIS 1.589 0.097 8 0 "[ . 1 . 2]" 1 32 LYS 0.977 0.133 3 0 "[ . 1 . 2]" 1 33 VAL 3.099 0.115 3 0 "[ . 1 . 2]" 1 34 GLY 3.018 0.156 16 0 "[ . 1 . 2]" 1 35 PRO 0.799 0.080 17 0 "[ . 1 . 2]" 1 36 ASN 0.374 0.062 11 0 "[ . 1 . 2]" 1 37 LEU 12.115 0.236 13 0 "[ . 1 . 2]" 1 38 HIS 4.240 0.203 16 0 "[ . 1 . 2]" 1 39 GLY 2.032 0.232 7 0 "[ . 1 . 2]" 1 40 ILE 5.951 0.255 14 0 "[ . 1 . 2]" 1 41 PHE 3.983 0.158 7 0 "[ . 1 . 2]" 1 42 GLY 0.233 0.198 6 0 "[ . 1 . 2]" 1 43 ARG 2.595 0.192 18 0 "[ . 1 . 2]" 1 44 HIS 5.901 0.192 18 0 "[ . 1 . 2]" 1 45 SER 3.487 0.191 18 0 "[ . 1 . 2]" 1 46 GLY 2.719 0.148 9 0 "[ . 1 . 2]" 1 47 GLN 5.860 0.285 17 0 "[ . 1 . 2]" 1 48 ALA 1.935 0.218 20 0 "[ . 1 . 2]" 1 49 GLU 0.219 0.053 3 0 "[ . 1 . 2]" 1 50 GLY 0.000 0.000 . 0 "[ . 1 . 2]" 1 51 TYR 7.047 0.218 20 0 "[ . 1 . 2]" 1 52 SER 0.000 0.000 . 0 "[ . 1 . 2]" 1 53 TYR 1.762 0.088 13 0 "[ . 1 . 2]" 1 54 THR 3.914 0.190 3 0 "[ . 1 . 2]" 1 55 ASP 0.274 0.032 11 0 "[ . 1 . 2]" 1 56 ALA 4.102 0.178 10 0 "[ . 1 . 2]" 1 57 ASN 13.388 0.230 9 0 "[ . 1 . 2]" 1 58 ILE 1.500 0.090 9 0 "[ . 1 . 2]" 1 59 LYS 3.367 0.107 19 0 "[ . 1 . 2]" 1 60 LYS 2.010 0.074 5 0 "[ . 1 . 2]" 1 61 ASN 2.201 0.115 17 0 "[ . 1 . 2]" 1 62 VAL 3.709 0.169 14 0 "[ . 1 . 2]" 1 63 LEU 4.400 0.198 6 0 "[ . 1 . 2]" 1 64 TRP 13.405 0.230 9 0 "[ . 1 . 2]" 1 65 ASP 4.496 0.224 20 0 "[ . 1 . 2]" 1 66 GLU 3.803 0.224 20 0 "[ . 1 . 2]" 1 67 ASN 3.007 0.095 1 0 "[ . 1 . 2]" 1 68 ASN 5.058 0.161 6 0 "[ . 1 . 2]" 1 69 MET 4.216 0.170 9 0 "[ . 1 . 2]" 1 70 SER 0.970 0.057 14 0 "[ . 1 . 2]" 1 71 GLU 3.248 0.103 19 0 "[ . 1 . 2]" 1 72 TYR 1.249 0.104 6 0 "[ . 1 . 2]" 1 73 LEU 5.634 0.130 14 0 "[ . 1 . 2]" 1 74 THR 2.649 0.130 14 0 "[ . 1 . 2]" 1 75 ASN 0.000 0.000 . 0 "[ . 1 . 2]" 1 76 HIS 3.801 0.143 16 0 "[ . 1 . 2]" 1 77 ALA 1.644 0.119 12 0 "[ . 1 . 2]" 1 78 LYS 1.593 0.119 13 0 "[ . 1 . 2]" 1 79 TYR 5.096 0.236 11 0 "[ . 1 . 2]" 1 80 ILE 5.437 0.236 11 0 "[ . 1 . 2]" 1 81 PRO 2.351 0.105 5 0 "[ . 1 . 2]" 1 82 GLY 0.508 0.175 3 0 "[ . 1 . 2]" 1 83 THR 3.288 0.178 10 0 "[ . 1 . 2]" 1 84 LYS 0.014 0.014 13 0 "[ . 1 . 2]" 1 85 MET 2.406 0.110 20 0 "[ . 1 . 2]" 1 86 ALA 0.235 0.041 13 0 "[ . 1 . 2]" 1 87 PHE 4.605 0.230 15 0 "[ . 1 . 2]" 1 89 GLY 0.787 0.115 2 0 "[ . 1 . 2]" 1 90 LEU 5.073 0.230 15 0 "[ . 1 . 2]" 1 91 LYS 0.028 0.028 15 0 "[ . 1 . 2]" 1 92 LYS 0.280 0.139 6 0 "[ . 1 . 2]" 1 93 GLU 1.528 0.174 11 0 "[ . 1 . 2]" 1 94 LYS 2.227 0.107 11 0 "[ . 1 . 2]" 1 95 ASP 3.590 0.139 6 0 "[ . 1 . 2]" 1 96 ARG 1.202 0.064 11 0 "[ . 1 . 2]" 1 97 ASN 4.458 0.118 6 0 "[ . 1 . 2]" 1 98 ASP 4.454 0.105 10 0 "[ . 1 . 2]" 1 99 LEU 4.533 0.226 13 0 "[ . 1 . 2]" 1 100 ILE 9.317 0.262 11 0 "[ . 1 . 2]" 1 101 THR 2.953 0.115 16 0 "[ . 1 . 2]" 1 102 TYR 1.386 0.095 18 0 "[ . 1 . 2]" 1 103 LEU 6.294 0.236 13 0 "[ . 1 . 2]" 1 104 LYS 1.631 0.072 7 0 "[ . 1 . 2]" 1 105 LYS 1.614 0.126 7 0 "[ . 1 . 2]" 1 106 ALA 4.854 0.184 14 0 "[ . 1 . 2]" 1 107 THR 0.546 0.121 2 0 "[ . 1 . 2]" 1 108 GLU 0.238 0.058 14 0 "[ . 1 . 2]" 2 1 HEC 9.799 0.255 14 0 "[ . 1 . 2]" 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 3 PHE H 1 3 PHE HB2 1.800 . 3.500 3.144 2.911 3.247 . 0 0 "[ . 1 . 2]" 1 2 1 3 PHE H 1 3 PHE HB3 1.800 . 3.500 2.335 2.285 2.441 . 0 0 "[ . 1 . 2]" 1 3 1 3 PHE HA 1 3 PHE QD 1.800 . 2.900 2.267 2.231 2.386 . 0 0 "[ . 1 . 2]" 1 4 1 3 PHE HA 1 4 LYS H 1.800 . 5.000 2.195 2.181 2.208 . 0 0 "[ . 1 . 2]" 1 5 1 3 PHE HA 1 97 ASN HD21 1.800 . 5.000 4.185 2.936 4.882 . 0 0 "[ . 1 . 2]" 1 6 1 3 PHE HA 1 97 ASN HD22 1.800 . 5.000 3.878 2.681 4.739 . 0 0 "[ . 1 . 2]" 1 7 1 3 PHE HB2 1 3 PHE QD 1.800 . 2.900 2.759 2.712 2.779 . 0 0 "[ . 1 . 2]" 1 8 1 3 PHE HB2 1 4 LYS H 1.800 . 5.000 4.103 4.024 4.406 . 0 0 "[ . 1 . 2]" 1 9 1 3 PHE HB3 1 3 PHE QD 1.800 . 2.900 2.329 2.293 2.352 . 0 0 "[ . 1 . 2]" 1 10 1 3 PHE HB3 1 4 LYS H 1.800 . 5.000 4.367 4.293 4.444 . 0 0 "[ . 1 . 2]" 1 11 1 3 PHE QD 1 5 ALA MB 1.800 . 5.000 4.942 3.823 5.086 0.086 11 0 "[ . 1 . 2]" 1 12 1 3 PHE QD 1 66 GLU QB 1.800 . 5.000 2.559 2.256 3.476 . 0 0 "[ . 1 . 2]" 1 13 1 3 PHE QD 1 100 ILE H 1.800 . 6.000 5.320 5.047 5.471 . 0 0 "[ . 1 . 2]" 1 14 1 3 PHE QD 1 100 ILE HA 1.800 . 6.000 5.988 5.853 6.072 0.072 3 0 "[ . 1 . 2]" 1 15 1 3 PHE QD 1 100 ILE HB 1.800 . 5.000 3.630 3.434 3.762 . 0 0 "[ . 1 . 2]" 1 16 1 3 PHE QD 1 100 ILE MD 1.800 . 5.000 3.282 2.421 5.027 0.027 14 0 "[ . 1 . 2]" 1 17 1 3 PHE QD 1 100 ILE MG 1.800 . 3.500 2.950 2.704 3.335 . 0 0 "[ . 1 . 2]" 1 18 1 3 PHE QD 1 101 THR H 1.800 . 5.000 5.053 5.010 5.115 0.115 16 0 "[ . 1 . 2]" 1 19 1 3 PHE QE 1 100 ILE H 1.800 . 5.000 4.359 3.964 4.747 . 0 0 "[ . 1 . 2]" 1 20 1 3 PHE QE 1 100 ILE HB 1.800 . 3.500 2.799 2.271 3.176 . 0 0 "[ . 1 . 2]" 1 21 1 3 PHE QE 1 100 ILE MG 1.800 . 3.500 2.447 2.096 2.922 . 0 0 "[ . 1 . 2]" 1 22 1 3 PHE QE 1 101 THR H 1.800 . 3.500 3.184 2.861 3.454 . 0 0 "[ . 1 . 2]" 1 23 1 3 PHE HZ 1 5 ALA HA 1.800 . 5.000 2.724 2.353 3.032 . 0 0 "[ . 1 . 2]" 1 24 1 3 PHE HZ 1 5 ALA MB 1.800 . 5.000 3.441 3.011 3.822 . 0 0 "[ . 1 . 2]" 1 25 1 3 PHE HZ 1 100 ILE H 1.800 . 5.000 5.029 4.997 5.124 0.124 3 0 "[ . 1 . 2]" 1 26 1 3 PHE HZ 1 100 ILE HB 1.800 . 6.000 3.025 2.857 3.249 . 0 0 "[ . 1 . 2]" 1 27 1 3 PHE HZ 1 100 ILE MG 1.800 . 5.000 2.931 2.642 3.221 . 0 0 "[ . 1 . 2]" 1 28 1 3 PHE HZ 1 101 THR H 1.800 . 5.000 2.872 2.781 3.167 . 0 0 "[ . 1 . 2]" 1 29 1 3 PHE HZ 1 101 THR HA 1.800 . 6.000 2.572 2.284 2.999 . 0 0 "[ . 1 . 2]" 1 30 1 4 LYS H 1 4 LYS HA 1.800 . 2.900 2.982 2.957 2.988 0.088 4 0 "[ . 1 . 2]" 1 31 1 4 LYS H 1 4 LYS HG2 1.800 . 5.000 4.169 3.648 4.494 . 0 0 "[ . 1 . 2]" 1 32 1 4 LYS H 1 4 LYS HG3 1.800 . 5.000 3.805 2.534 4.725 . 0 0 "[ . 1 . 2]" 1 33 1 4 LYS H 1 97 ASN HB2 1.800 . 5.000 4.417 3.800 5.054 0.054 3 0 "[ . 1 . 2]" 1 34 1 4 LYS H 1 97 ASN HB3 1.800 . 5.000 2.911 2.343 3.705 . 0 0 "[ . 1 . 2]" 1 35 1 4 LYS H 1 97 ASN HD21 1.800 . 5.000 3.827 3.248 4.402 . 0 0 "[ . 1 . 2]" 1 36 1 4 LYS H 1 97 ASN HD22 1.800 . 5.000 4.218 3.584 4.948 . 0 0 "[ . 1 . 2]" 1 37 1 4 LYS HA 1 4 LYS QE 1.800 . 5.000 4.537 4.406 4.761 . 0 0 "[ . 1 . 2]" 1 38 1 4 LYS HA 1 5 ALA H 1.800 . 3.500 2.348 2.201 3.555 0.055 19 0 "[ . 1 . 2]" 1 39 1 4 LYS HB2 1 4 LYS QE 1.800 . 5.000 3.854 2.193 4.225 . 0 0 "[ . 1 . 2]" 1 40 1 4 LYS HB2 1 5 ALA H 1.800 . 5.000 4.071 1.933 4.352 . 0 0 "[ . 1 . 2]" 1 41 1 4 LYS HB3 1 4 LYS QE 1.800 . 5.000 3.880 2.163 4.144 . 0 0 "[ . 1 . 2]" 1 42 1 4 LYS HB3 1 5 ALA H 1.800 . 5.000 3.694 2.861 4.274 . 0 0 "[ . 1 . 2]" 1 43 1 4 LYS QE 1 4 LYS HG2 1.800 . 5.000 2.483 2.241 3.300 . 0 0 "[ . 1 . 2]" 1 44 1 4 LYS QE 1 4 LYS HG3 1.800 . 5.000 2.442 2.250 3.299 . 0 0 "[ . 1 . 2]" 1 45 1 5 ALA H 1 5 ALA HA 1.800 . 2.900 2.855 2.344 2.943 0.043 20 0 "[ . 1 . 2]" 1 46 1 5 ALA H 1 5 ALA MB 1.800 . 2.900 2.238 2.053 2.873 . 0 0 "[ . 1 . 2]" 1 47 1 5 ALA H 1 6 GLY H 1.800 . 5.000 4.195 3.487 4.409 . 0 0 "[ . 1 . 2]" 1 48 1 5 ALA H 1 101 THR MG 1.800 . 5.000 4.996 4.300 5.059 0.059 12 0 "[ . 1 . 2]" 1 49 1 5 ALA HA 1 6 GLY H 1.800 . 3.500 2.308 2.205 3.442 . 0 0 "[ . 1 . 2]" 1 50 1 5 ALA HA 1 97 ASN QB 1.800 . 5.000 4.747 4.247 5.008 0.008 2 0 "[ . 1 . 2]" 1 51 1 5 ALA HA 1 101 THR MG 1.800 . 5.000 2.868 1.995 3.104 . 0 0 "[ . 1 . 2]" 1 52 1 5 ALA MB 1 6 GLY H 1.800 . 3.500 3.449 1.805 3.569 0.069 8 0 "[ . 1 . 2]" 1 53 1 6 GLY H 1 98 ASP HA 1.800 . 5.000 3.364 2.994 5.030 0.030 19 0 "[ . 1 . 2]" 1 54 1 6 GLY H 1 101 THR MG 1.800 . 5.000 3.541 2.006 4.025 . 0 0 "[ . 1 . 2]" 1 55 1 6 GLY QA 1 7 SER H 1.800 . 5.000 2.178 2.159 2.257 . 0 0 "[ . 1 . 2]" 1 56 1 6 GLY QA 1 101 THR MG 1.800 . 5.000 4.373 3.445 4.898 . 0 0 "[ . 1 . 2]" 1 57 1 7 SER H 1 7 SER QB 1.800 . 2.900 2.581 2.451 2.917 0.017 3 0 "[ . 1 . 2]" 1 58 1 7 SER H 1 98 ASP HB2 1.800 . 5.000 5.009 4.829 5.033 0.033 3 0 "[ . 1 . 2]" 1 59 1 7 SER H 1 98 ASP HB3 1.800 . 5.000 3.763 3.326 3.982 . 0 0 "[ . 1 . 2]" 1 60 1 7 SER QB 1 8 ALA H 1.800 . 5.000 3.477 2.958 3.851 . 0 0 "[ . 1 . 2]" 1 61 1 8 ALA H 1 8 ALA MB 1.800 . 3.500 2.158 2.051 2.265 . 0 0 "[ . 1 . 2]" 1 62 1 8 ALA HA 1 9 LYS H 1.800 . 3.500 3.526 3.507 3.539 0.039 9 0 "[ . 1 . 2]" 1 63 1 8 ALA HA 1 10 LYS H 1.800 . 5.000 4.514 4.453 4.596 . 0 0 "[ . 1 . 2]" 1 64 1 8 ALA HA 1 11 GLY H 1.800 . 5.000 3.406 3.308 3.480 . 0 0 "[ . 1 . 2]" 1 65 1 8 ALA HA 1 12 ALA H 1.800 . 5.000 3.862 3.616 4.114 . 0 0 "[ . 1 . 2]" 1 66 1 8 ALA HA 1 101 THR MG 1.800 . 6.000 3.392 2.980 4.283 . 0 0 "[ . 1 . 2]" 1 67 1 8 ALA MB 1 102 TYR QE 1.800 . 5.000 4.153 3.677 4.849 . 0 0 "[ . 1 . 2]" 1 68 1 9 LYS H 1 9 LYS HB2 1.800 . 3.500 2.622 2.614 2.633 . 0 0 "[ . 1 . 2]" 1 69 1 9 LYS H 1 9 LYS HB3 1.800 . 3.500 3.589 3.586 3.594 0.094 19 0 "[ . 1 . 2]" 1 70 1 9 LYS H 1 9 LYS HG2 1.800 . 3.500 2.994 2.911 3.049 . 0 0 "[ . 1 . 2]" 1 71 1 9 LYS H 1 9 LYS HG3 1.800 . 3.500 1.864 1.823 1.915 . 0 0 "[ . 1 . 2]" 1 72 1 9 LYS H 1 10 LYS H 1.800 . 3.500 2.773 2.757 2.810 . 0 0 "[ . 1 . 2]" 1 73 1 9 LYS H 1 11 GLY H 1.800 . 5.000 4.209 4.098 4.350 . 0 0 "[ . 1 . 2]" 1 74 1 9 LYS H 1 102 TYR QB 1.800 . 6.000 5.895 5.716 6.036 0.036 13 0 "[ . 1 . 2]" 1 75 1 9 LYS HA 1 9 LYS QE 1.800 . 5.000 4.032 3.659 4.679 . 0 0 "[ . 1 . 2]" 1 76 1 9 LYS HA 1 9 LYS HG2 1.800 . 3.500 2.512 2.469 2.544 . 0 0 "[ . 1 . 2]" 1 77 1 9 LYS HA 1 9 LYS HG3 1.800 . 3.500 3.182 3.136 3.246 . 0 0 "[ . 1 . 2]" 1 78 1 9 LYS HA 1 10 LYS H 1.800 . 3.500 3.552 3.544 3.558 0.058 11 0 "[ . 1 . 2]" 1 79 1 9 LYS HA 1 11 GLY H 1.800 . 5.000 4.610 4.496 4.716 . 0 0 "[ . 1 . 2]" 1 80 1 9 LYS HA 1 12 ALA H 1.800 . 5.000 3.482 3.423 3.556 . 0 0 "[ . 1 . 2]" 1 81 1 9 LYS HA 1 12 ALA MB 1.800 . 5.000 2.525 2.226 2.688 . 0 0 "[ . 1 . 2]" 1 82 1 9 LYS HA 1 13 THR H 1.800 . 5.000 4.421 4.065 4.633 . 0 0 "[ . 1 . 2]" 1 83 1 9 LYS HB2 1 9 LYS QE 1.800 . 3.500 2.764 2.152 3.478 . 0 0 "[ . 1 . 2]" 1 84 1 9 LYS HB2 1 10 LYS H 1.800 . 3.500 2.303 2.255 2.337 . 0 0 "[ . 1 . 2]" 1 85 1 9 LYS HB3 1 9 LYS QE 1.800 . 3.500 2.494 2.129 3.320 . 0 0 "[ . 1 . 2]" 1 86 1 9 LYS HB3 1 10 LYS H 1.800 . 3.500 3.538 3.503 3.565 0.065 6 0 "[ . 1 . 2]" 1 87 1 9 LYS QE 1 9 LYS HG2 1.800 . 3.500 2.677 2.225 3.373 . 0 0 "[ . 1 . 2]" 1 88 1 9 LYS QE 1 9 LYS HG3 1.800 . 3.500 2.893 2.257 3.362 . 0 0 "[ . 1 . 2]" 1 89 1 9 LYS QG 1 10 LYS H 1.800 . 3.500 3.721 3.700 3.735 0.235 10 0 "[ . 1 . 2]" 1 90 1 10 LYS H 1 10 LYS HB2 1.800 . 3.500 2.481 2.459 2.494 . 0 0 "[ . 1 . 2]" 1 91 1 10 LYS H 1 10 LYS HB3 1.800 . 3.500 3.607 3.605 3.609 0.109 18 0 "[ . 1 . 2]" 1 92 1 10 LYS H 1 10 LYS QE 1.800 . 5.000 4.306 4.184 4.663 . 0 0 "[ . 1 . 2]" 1 93 1 10 LYS H 1 10 LYS HG2 1.800 . 3.500 3.329 3.305 3.405 . 0 0 "[ . 1 . 2]" 1 94 1 10 LYS H 1 10 LYS HG3 1.800 . 3.500 2.161 2.141 2.204 . 0 0 "[ . 1 . 2]" 1 95 1 10 LYS H 1 11 GLY H 1.800 . 5.000 2.773 2.710 2.849 . 0 0 "[ . 1 . 2]" 1 96 1 10 LYS H 1 12 ALA H 1.800 . 5.000 4.018 3.877 4.136 . 0 0 "[ . 1 . 2]" 1 97 1 10 LYS HA 1 10 LYS QG 1.800 . 5.000 2.328 2.318 2.339 . 0 0 "[ . 1 . 2]" 1 98 1 10 LYS HA 1 11 GLY H 1.800 . 5.000 3.574 3.560 3.591 . 0 0 "[ . 1 . 2]" 1 99 1 10 LYS HA 1 12 ALA H 1.800 . 5.000 4.335 4.223 4.487 . 0 0 "[ . 1 . 2]" 1 100 1 10 LYS HA 1 13 THR H 1.800 . 5.000 3.638 3.524 3.879 . 0 0 "[ . 1 . 2]" 1 101 1 10 LYS HA 1 13 THR HB 1.800 . 5.000 4.813 3.248 5.054 0.054 16 0 "[ . 1 . 2]" 1 102 1 10 LYS HA 1 14 LEU H 1.800 . 5.000 4.585 4.238 4.834 . 0 0 "[ . 1 . 2]" 1 103 1 10 LYS HB2 1 11 GLY H 1.800 . 5.000 2.512 2.428 2.571 . 0 0 "[ . 1 . 2]" 1 104 1 10 LYS HB3 1 11 GLY H 1.800 . 5.000 3.535 3.458 3.593 . 0 0 "[ . 1 . 2]" 1 105 1 11 GLY H 1 12 ALA H 1.800 . 3.500 2.599 2.499 2.653 . 0 0 "[ . 1 . 2]" 1 106 1 11 GLY H 1 12 ALA MB 1.800 . 5.000 4.270 4.205 4.308 . 0 0 "[ . 1 . 2]" 1 107 1 11 GLY H 1 13 THR H 1.800 . 5.000 4.279 4.195 4.351 . 0 0 "[ . 1 . 2]" 1 108 1 11 GLY H 1 98 ASP QB 1.800 . 5.000 2.711 1.994 3.398 . 0 0 "[ . 1 . 2]" 1 109 1 11 GLY H 1 102 TYR QB 1.800 . 5.000 4.220 4.046 4.603 . 0 0 "[ . 1 . 2]" 1 110 1 11 GLY QA 1 98 ASP HB2 1.800 . 5.000 3.030 2.621 3.506 . 0 0 "[ . 1 . 2]" 1 111 1 11 GLY QA 1 98 ASP HB3 1.800 . 5.000 2.538 2.142 3.064 . 0 0 "[ . 1 . 2]" 1 112 1 11 GLY HA2 1 12 ALA H 1.800 . 5.000 3.533 3.511 3.552 . 0 0 "[ . 1 . 2]" 1 113 1 11 GLY HA2 1 13 THR H 1.800 . 5.000 4.235 4.131 4.353 . 0 0 "[ . 1 . 2]" 1 114 1 11 GLY HA2 1 14 LEU H 1.800 . 5.000 3.233 3.015 3.443 . 0 0 "[ . 1 . 2]" 1 115 1 11 GLY HA2 1 14 LEU HB2 1.800 . 5.000 2.745 2.244 3.364 . 0 0 "[ . 1 . 2]" 1 116 1 11 GLY HA2 1 14 LEU HB3 1.800 . 5.000 3.435 2.798 3.825 . 0 0 "[ . 1 . 2]" 1 117 1 11 GLY HA2 1 15 PHE H 1.800 . 5.000 3.818 3.631 4.177 . 0 0 "[ . 1 . 2]" 1 118 1 11 GLY HA2 1 102 TYR QB 1.800 . 5.000 4.298 3.906 4.882 . 0 0 "[ . 1 . 2]" 1 119 1 11 GLY HA3 1 12 ALA H 1.800 . 5.000 2.921 2.869 2.966 . 0 0 "[ . 1 . 2]" 1 120 1 11 GLY HA3 1 13 THR H 1.800 . 5.000 4.736 4.694 4.821 . 0 0 "[ . 1 . 2]" 1 121 1 11 GLY HA3 1 14 LEU H 1.800 . 5.000 4.531 4.298 4.731 . 0 0 "[ . 1 . 2]" 1 122 1 11 GLY HA3 1 14 LEU HB2 1.800 . 5.000 4.266 3.556 5.059 0.059 5 0 "[ . 1 . 2]" 1 123 1 11 GLY HA3 1 14 LEU HB3 1.800 . 5.000 4.844 4.344 5.216 0.216 6 0 "[ . 1 . 2]" 1 124 1 11 GLY HA3 1 15 PHE H 1.800 . 5.000 4.503 4.372 4.860 . 0 0 "[ . 1 . 2]" 1 125 1 11 GLY HA3 1 102 TYR QB 1.800 . 5.000 2.859 2.484 3.479 . 0 0 "[ . 1 . 2]" 1 126 1 12 ALA H 1 12 ALA HA 1.800 . 2.900 2.835 2.817 2.855 . 0 0 "[ . 1 . 2]" 1 127 1 12 ALA H 1 12 ALA MB 1.800 . 2.900 2.197 2.044 2.260 . 0 0 "[ . 1 . 2]" 1 128 1 12 ALA H 1 13 THR H 1.800 . 2.900 2.750 2.699 2.815 . 0 0 "[ . 1 . 2]" 1 129 1 12 ALA H 1 14 LEU H 1.800 . 5.000 4.201 4.042 4.345 . 0 0 "[ . 1 . 2]" 1 130 1 12 ALA H 1 102 TYR HB2 1.800 . 5.000 3.582 3.485 3.694 . 0 0 "[ . 1 . 2]" 1 131 1 12 ALA H 1 102 TYR HB3 1.800 . 5.000 5.035 4.963 5.095 0.095 18 0 "[ . 1 . 2]" 1 132 1 12 ALA HA 1 13 THR H 1.800 . 3.500 3.553 3.544 3.564 0.064 12 0 "[ . 1 . 2]" 1 133 1 12 ALA HA 1 14 LEU H 1.800 . 5.000 4.517 4.371 4.672 . 0 0 "[ . 1 . 2]" 1 134 1 12 ALA HA 1 15 PHE H 1.800 . 3.500 3.404 3.307 3.503 0.003 10 0 "[ . 1 . 2]" 1 135 1 12 ALA HA 1 15 PHE QB 1.800 . 5.000 2.481 2.302 2.725 . 0 0 "[ . 1 . 2]" 1 136 1 12 ALA HA 1 16 LYS H 1.800 . 5.000 3.658 3.353 4.042 . 0 0 "[ . 1 . 2]" 1 137 1 12 ALA MB 1 13 THR H 1.800 . 3.500 2.529 2.443 2.708 . 0 0 "[ . 1 . 2]" 1 138 1 12 ALA MB 1 102 TYR QD 1.800 . 5.000 2.416 2.224 2.742 . 0 0 "[ . 1 . 2]" 1 139 1 12 ALA MB 1 102 TYR QE 1.800 . 5.000 2.153 2.025 2.556 . 0 0 "[ . 1 . 2]" 1 140 1 13 THR H 1 13 THR HA 1.800 . 2.900 2.868 2.845 2.889 . 0 0 "[ . 1 . 2]" 1 141 1 13 THR H 1 13 THR HB 1.800 . 3.500 3.449 2.159 3.599 0.099 20 0 "[ . 1 . 2]" 1 142 1 13 THR H 1 13 THR MG 1.800 . 2.900 2.084 1.871 2.967 0.067 7 0 "[ . 1 . 2]" 1 143 1 13 THR H 1 14 LEU H 1.800 . 2.900 2.620 2.517 2.724 . 0 0 "[ . 1 . 2]" 1 144 1 13 THR H 1 15 PHE H 1.800 . 5.000 4.028 3.920 4.118 . 0 0 "[ . 1 . 2]" 1 145 1 13 THR HA 1 13 THR MG 1.800 . 2.900 2.470 2.348 3.081 0.181 3 0 "[ . 1 . 2]" 1 146 1 13 THR HA 1 14 LEU H 1.800 . 3.500 3.534 3.521 3.549 0.049 10 0 "[ . 1 . 2]" 1 147 1 13 THR HA 1 15 PHE H 1.800 . 5.000 4.498 4.404 4.597 . 0 0 "[ . 1 . 2]" 1 148 1 13 THR HA 1 16 LYS H 1.800 . 5.000 3.650 3.524 3.822 . 0 0 "[ . 1 . 2]" 1 149 1 13 THR HA 1 16 LYS HB2 1.800 . 5.000 3.089 2.663 3.961 . 0 0 "[ . 1 . 2]" 1 150 1 13 THR HA 1 16 LYS HB3 1.800 . 5.000 4.013 2.579 4.690 . 0 0 "[ . 1 . 2]" 1 151 1 13 THR HA 1 17 THR H 1.800 . 5.000 3.997 3.575 4.586 . 0 0 "[ . 1 . 2]" 1 152 1 13 THR HB 1 14 LEU H 1.800 . 3.500 3.588 3.422 3.634 0.134 11 0 "[ . 1 . 2]" 1 153 1 13 THR MG 1 14 LEU H 1.800 . 3.500 3.436 1.978 3.611 0.111 12 0 "[ . 1 . 2]" 1 154 1 14 LEU H 1 14 LEU HB2 1.800 . 3.500 2.389 2.197 2.501 . 0 0 "[ . 1 . 2]" 1 155 1 14 LEU H 1 14 LEU HB3 1.800 . 3.500 3.198 2.716 3.582 0.082 4 0 "[ . 1 . 2]" 1 156 1 14 LEU H 1 14 LEU MD1 1.800 . 5.000 3.695 3.121 4.139 . 0 0 "[ . 1 . 2]" 1 157 1 14 LEU H 1 14 LEU MD2 1.800 . 5.000 3.735 3.044 4.337 . 0 0 "[ . 1 . 2]" 1 158 1 14 LEU H 1 14 LEU HG 1.800 . 5.000 3.194 2.041 4.493 . 0 0 "[ . 1 . 2]" 1 159 1 14 LEU H 1 15 PHE H 1.800 . 3.500 2.666 2.554 2.754 . 0 0 "[ . 1 . 2]" 1 160 1 14 LEU H 1 16 LYS H 1.800 . 5.000 4.305 4.070 4.476 . 0 0 "[ . 1 . 2]" 1 161 1 14 LEU HA 1 14 LEU MD1 1.800 . 3.500 3.262 2.144 3.759 0.259 15 0 "[ . 1 . 2]" 1 162 1 14 LEU HA 1 14 LEU MD2 1.800 . 3.500 2.741 2.020 3.789 0.289 19 0 "[ . 1 . 2]" 1 163 1 14 LEU HA 1 14 LEU HG 1.800 . 3.500 2.722 2.219 3.134 . 0 0 "[ . 1 . 2]" 1 164 1 14 LEU HA 1 15 PHE H 1.800 . 5.000 3.542 3.527 3.567 . 0 0 "[ . 1 . 2]" 1 165 1 14 LEU HA 1 16 LYS H 1.800 . 5.000 4.773 4.550 5.018 0.018 6 0 "[ . 1 . 2]" 1 166 1 14 LEU HA 1 17 THR H 1.800 . 5.000 3.623 3.489 3.812 . 0 0 "[ . 1 . 2]" 1 167 1 14 LEU HA 1 18 ARG H 1.800 . 5.000 4.330 4.146 4.649 . 0 0 "[ . 1 . 2]" 1 168 1 14 LEU QB 1 99 LEU QD 1.800 . 5.000 2.096 1.862 2.429 . 0 0 "[ . 1 . 2]" 1 169 1 14 LEU HB2 1 14 LEU MD1 1.800 . 3.500 2.278 2.157 2.445 . 0 0 "[ . 1 . 2]" 1 170 1 14 LEU HB2 1 14 LEU MD2 1.800 . 3.500 2.980 2.421 3.200 . 0 0 "[ . 1 . 2]" 1 171 1 14 LEU HB2 1 15 PHE H 1.800 . 3.500 3.000 2.409 3.626 0.126 2 0 "[ . 1 . 2]" 1 172 1 14 LEU HB3 1 14 LEU MD1 1.800 . 3.500 2.608 2.214 3.177 . 0 0 "[ . 1 . 2]" 1 173 1 14 LEU HB3 1 14 LEU MD2 1.800 . 3.500 2.250 2.148 2.357 . 0 0 "[ . 1 . 2]" 1 174 1 14 LEU HB3 1 15 PHE H 1.800 . 3.500 3.033 2.386 3.588 0.088 16 0 "[ . 1 . 2]" 1 175 1 14 LEU QD 1 95 ASP HA 1.800 . 5.000 3.258 2.401 3.820 . 0 0 "[ . 1 . 2]" 1 176 1 14 LEU QD 1 98 ASP H 1.800 . 5.000 4.722 3.996 5.075 0.075 13 0 "[ . 1 . 2]" 1 177 1 14 LEU QD 1 99 LEU H 1.800 . 5.000 3.947 3.380 4.386 . 0 0 "[ . 1 . 2]" 1 178 1 14 LEU MD1 1 15 PHE H 1.800 . 5.000 4.564 4.312 4.759 . 0 0 "[ . 1 . 2]" 1 179 1 14 LEU MD1 1 95 ASP HB2 1.800 . 3.500 3.427 2.878 3.537 0.037 5 0 "[ . 1 . 2]" 1 180 1 14 LEU MD1 1 95 ASP HB3 1.800 . 3.500 2.201 1.980 2.716 . 0 0 "[ . 1 . 2]" 1 181 1 14 LEU MD2 1 15 PHE H 1.800 . 5.000 4.248 3.369 4.670 . 0 0 "[ . 1 . 2]" 1 182 1 15 PHE H 1 15 PHE HB2 1.800 . 3.500 2.449 2.386 2.524 . 0 0 "[ . 1 . 2]" 1 183 1 15 PHE H 1 15 PHE HB3 1.800 . 3.500 2.603 2.538 2.656 . 0 0 "[ . 1 . 2]" 1 184 1 15 PHE H 1 16 LYS H 1.800 . 3.500 2.758 2.605 2.825 . 0 0 "[ . 1 . 2]" 1 185 1 15 PHE H 1 17 THR H 1.800 . 5.000 4.001 3.804 4.180 . 0 0 "[ . 1 . 2]" 1 186 1 15 PHE H 1 99 LEU MD1 1.800 . 5.000 4.021 2.659 4.995 . 0 0 "[ . 1 . 2]" 1 187 1 15 PHE H 1 99 LEU MD2 1.800 . 5.000 3.525 2.549 5.053 0.053 19 0 "[ . 1 . 2]" 1 188 1 15 PHE HA 1 15 PHE QD 1.800 . 5.000 2.959 2.856 3.101 . 0 0 "[ . 1 . 2]" 1 189 1 15 PHE HA 1 16 LYS H 1.800 . 5.000 3.574 3.544 3.587 . 0 0 "[ . 1 . 2]" 1 190 1 15 PHE HA 1 17 THR H 1.800 . 5.000 4.323 3.667 4.488 . 0 0 "[ . 1 . 2]" 1 191 1 15 PHE HA 1 18 ARG H 1.800 . 5.000 3.415 3.330 3.474 . 0 0 "[ . 1 . 2]" 1 192 1 15 PHE HA 1 18 ARG HB2 1.800 . 5.000 3.769 3.624 3.935 . 0 0 "[ . 1 . 2]" 1 193 1 15 PHE HA 1 18 ARG HB3 1.800 . 5.000 5.093 5.014 5.141 0.141 6 0 "[ . 1 . 2]" 1 194 1 15 PHE HA 1 19 CYS H 1.800 . 5.000 4.162 3.539 4.587 . 0 0 "[ . 1 . 2]" 1 195 1 15 PHE HA 1 99 LEU MD1 1.800 . 5.000 3.388 2.354 4.262 . 0 0 "[ . 1 . 2]" 1 196 1 15 PHE HA 1 99 LEU MD2 1.800 . 5.000 3.332 2.621 4.521 . 0 0 "[ . 1 . 2]" 1 197 1 15 PHE QB 1 102 TYR QD 1.800 . 5.000 3.472 2.971 3.911 . 0 0 "[ . 1 . 2]" 1 198 1 15 PHE QB 1 102 TYR QE 1.800 . 5.000 3.742 3.301 4.235 . 0 0 "[ . 1 . 2]" 1 199 1 15 PHE HB2 1 16 LYS H 1.800 . 5.000 3.673 3.587 3.746 . 0 0 "[ . 1 . 2]" 1 200 1 15 PHE HB2 1 99 LEU QD 1.800 . 5.000 2.306 2.115 2.729 . 0 0 "[ . 1 . 2]" 1 201 1 15 PHE HB3 1 16 LYS H 1.800 . 5.000 2.315 2.186 2.470 . 0 0 "[ . 1 . 2]" 1 202 1 15 PHE HB3 1 99 LEU QD 1.800 . 5.000 3.672 3.506 4.055 . 0 0 "[ . 1 . 2]" 1 203 1 15 PHE QD 1 16 LYS H 1.800 . 3.500 3.219 2.950 3.502 0.002 1 0 "[ . 1 . 2]" 1 204 1 15 PHE QD 1 16 LYS HA 1.800 . 3.500 2.955 2.712 3.160 . 0 0 "[ . 1 . 2]" 1 205 1 15 PHE QD 1 20 LEU QB 1.800 . 6.000 4.917 3.493 5.985 . 0 0 "[ . 1 . 2]" 1 206 1 15 PHE QD 1 20 LEU MD1 1.800 . 5.000 4.661 2.331 5.028 0.028 19 0 "[ . 1 . 2]" 1 207 1 15 PHE QD 1 20 LEU MD2 1.800 . 5.000 3.677 2.649 4.690 . 0 0 "[ . 1 . 2]" 1 208 1 15 PHE QD 1 25 VAL MG1 1.800 . 5.000 4.608 3.070 5.042 0.042 3 0 "[ . 1 . 2]" 1 209 1 15 PHE QD 1 25 VAL MG2 1.800 . 5.000 3.994 3.524 5.100 0.100 12 0 "[ . 1 . 2]" 1 210 1 15 PHE QD 1 37 LEU MD1 1.800 . 6.000 4.606 4.244 4.899 . 0 0 "[ . 1 . 2]" 1 211 1 15 PHE QD 1 37 LEU MD2 1.800 . 6.000 4.098 3.837 4.813 . 0 0 "[ . 1 . 2]" 1 212 1 15 PHE QD 1 99 LEU QD 1.800 . 2.900 2.500 2.026 2.933 0.033 17 0 "[ . 1 . 2]" 1 213 1 15 PHE QD 1 102 TYR QB 1.800 . 5.000 4.086 3.714 4.533 . 0 0 "[ . 1 . 2]" 1 214 1 15 PHE QD 1 103 LEU QD 1.800 . 5.000 3.036 2.749 3.452 . 0 0 "[ . 1 . 2]" 1 215 1 15 PHE QE 1 20 LEU MD1 1.800 . 6.000 5.157 2.440 5.604 . 0 0 "[ . 1 . 2]" 1 216 1 15 PHE QE 1 20 LEU MD2 1.800 . 5.000 3.806 2.256 5.064 0.064 4 0 "[ . 1 . 2]" 1 217 1 15 PHE QE 1 25 VAL MG1 1.800 . 5.000 3.781 2.192 4.220 . 0 0 "[ . 1 . 2]" 1 218 1 15 PHE QE 1 25 VAL QG 1.800 . 5.000 2.353 2.043 2.697 . 0 0 "[ . 1 . 2]" 1 219 1 15 PHE QE 1 25 VAL MG2 1.800 . 5.000 2.474 2.049 4.090 . 0 0 "[ . 1 . 2]" 1 220 1 15 PHE QE 1 37 LEU MD1 1.800 . 6.000 4.629 3.489 5.128 . 0 0 "[ . 1 . 2]" 1 221 1 15 PHE QE 1 37 LEU MD2 1.800 . 6.000 2.405 2.137 3.251 . 0 0 "[ . 1 . 2]" 1 222 1 15 PHE QE 1 37 LEU HG 1.800 . 6.000 4.740 3.160 5.627 . 0 0 "[ . 1 . 2]" 1 223 1 15 PHE QE 1 103 LEU MD1 1.800 . 5.000 3.484 2.201 4.486 . 0 0 "[ . 1 . 2]" 1 224 1 15 PHE QE 1 103 LEU MD2 1.800 . 5.000 2.919 2.174 4.606 . 0 0 "[ . 1 . 2]" 1 225 1 15 PHE HZ 1 23 HIS HB2 1.800 . 5.000 2.405 2.245 2.876 . 0 0 "[ . 1 . 2]" 1 226 1 15 PHE HZ 1 23 HIS HB3 1.800 . 5.000 2.835 2.587 3.270 . 0 0 "[ . 1 . 2]" 1 227 1 15 PHE HZ 1 23 HIS HD1 1.800 . 5.000 5.025 4.888 5.103 0.103 1 0 "[ . 1 . 2]" 1 228 1 15 PHE HZ 1 23 HIS HD2 1.800 . 5.000 4.507 4.124 4.871 . 0 0 "[ . 1 . 2]" 1 229 1 15 PHE HZ 1 25 VAL MG1 1.800 . 5.000 4.337 2.709 4.691 . 0 0 "[ . 1 . 2]" 1 230 1 15 PHE HZ 1 25 VAL MG2 1.800 . 5.000 2.226 2.015 3.891 . 0 0 "[ . 1 . 2]" 1 231 1 15 PHE HZ 1 37 LEU HG 1.800 . 6.000 4.974 3.436 6.012 0.012 20 0 "[ . 1 . 2]" 1 232 1 16 LYS H 1 16 LYS HB2 1.800 . 3.500 2.455 2.414 2.491 . 0 0 "[ . 1 . 2]" 1 233 1 16 LYS H 1 16 LYS HB3 1.800 . 3.500 3.300 2.597 3.606 0.106 10 0 "[ . 1 . 2]" 1 234 1 16 LYS H 1 17 THR H 1.800 . 3.500 2.710 2.609 2.805 . 0 0 "[ . 1 . 2]" 1 235 1 16 LYS H 1 18 ARG H 1.800 . 5.000 3.972 3.896 4.125 . 0 0 "[ . 1 . 2]" 1 236 1 16 LYS H 1 20 LEU MD1 1.800 . 5.000 4.837 3.981 5.089 0.089 19 0 "[ . 1 . 2]" 1 237 1 16 LYS H 1 20 LEU MD2 1.800 . 5.000 4.541 4.250 4.869 . 0 0 "[ . 1 . 2]" 1 238 1 16 LYS HA 1 16 LYS QE 1.800 . 5.000 4.637 4.494 4.989 . 0 0 "[ . 1 . 2]" 1 239 1 16 LYS HA 1 17 THR H 1.800 . 3.500 3.523 3.281 3.557 0.057 4 0 "[ . 1 . 2]" 1 240 1 16 LYS HA 1 18 ARG H 1.800 . 5.000 4.019 3.896 4.196 . 0 0 "[ . 1 . 2]" 1 241 1 16 LYS HA 1 19 CYS H 1.800 . 5.000 4.099 3.893 4.632 . 0 0 "[ . 1 . 2]" 1 242 1 16 LYS HA 1 19 CYS QB 1.800 . 5.000 4.314 3.770 5.008 0.008 8 0 "[ . 1 . 2]" 1 243 1 16 LYS HA 1 20 LEU H 1.800 . 5.000 4.373 3.550 5.064 0.064 8 0 "[ . 1 . 2]" 1 244 1 16 LYS HA 1 20 LEU QB 1.800 . 5.000 3.576 2.222 4.631 . 0 0 "[ . 1 . 2]" 1 245 1 16 LYS HA 1 20 LEU MD1 1.800 . 5.000 2.607 2.152 3.427 . 0 0 "[ . 1 . 2]" 1 246 1 16 LYS HA 1 20 LEU MD2 1.800 . 5.000 2.485 2.126 3.104 . 0 0 "[ . 1 . 2]" 1 247 1 16 LYS HB2 1 17 THR H 1.800 . 5.000 3.158 2.736 3.941 . 0 0 "[ . 1 . 2]" 1 248 1 16 LYS HB3 1 17 THR H 1.800 . 5.000 3.446 2.610 4.261 . 0 0 "[ . 1 . 2]" 1 249 1 17 THR H 1 17 THR MG 1.800 . 2.900 2.291 1.919 2.729 . 0 0 "[ . 1 . 2]" 1 250 1 17 THR H 1 18 ARG H 1.800 . 3.500 2.424 1.967 2.487 . 0 0 "[ . 1 . 2]" 1 251 1 17 THR H 1 19 CYS H 1.800 . 5.000 4.407 3.836 4.799 . 0 0 "[ . 1 . 2]" 1 252 1 17 THR HA 1 17 THR MG 1.800 . 3.500 2.453 2.310 3.175 . 0 0 "[ . 1 . 2]" 1 253 1 17 THR HA 1 18 ARG H 1.800 . 3.500 3.374 3.281 3.429 . 0 0 "[ . 1 . 2]" 1 254 1 17 THR HA 1 18 ARG HG2 1.800 . 5.000 5.036 5.011 5.074 0.074 19 0 "[ . 1 . 2]" 1 255 1 17 THR HA 1 18 ARG HG3 1.800 . 5.000 4.364 4.286 4.557 . 0 0 "[ . 1 . 2]" 1 256 1 17 THR HA 1 19 CYS H 1.800 . 5.000 4.517 4.216 4.769 . 0 0 "[ . 1 . 2]" 1 257 1 17 THR HA 1 20 LEU H 1.800 . 6.000 5.560 4.997 6.059 0.059 19 0 "[ . 1 . 2]" 1 258 1 17 THR MG 1 18 ARG H 1.800 . 5.000 4.005 2.511 4.224 . 0 0 "[ . 1 . 2]" 1 259 1 17 THR MG 1 18 ARG HA 1.800 . 6.000 5.552 4.068 5.674 . 0 0 "[ . 1 . 2]" 1 260 1 18 ARG H 1 18 ARG HG2 1.800 . 5.000 4.106 3.935 4.189 . 0 0 "[ . 1 . 2]" 1 261 1 18 ARG H 1 18 ARG HG3 1.800 . 5.000 3.275 3.065 3.466 . 0 0 "[ . 1 . 2]" 1 262 1 18 ARG H 1 19 CYS H 1.800 . 3.500 2.385 1.940 2.782 . 0 0 "[ . 1 . 2]" 1 263 1 18 ARG H 1 20 LEU H 1.800 . 5.000 4.267 3.643 5.005 0.005 19 0 "[ . 1 . 2]" 1 264 1 18 ARG HA 1 18 ARG HD2 1.800 . 5.000 4.602 4.567 4.769 . 0 0 "[ . 1 . 2]" 1 265 1 18 ARG HA 1 18 ARG HD3 1.800 . 5.000 4.254 4.159 4.581 . 0 0 "[ . 1 . 2]" 1 266 1 18 ARG HA 1 19 CYS H 1.800 . 5.000 2.943 2.729 3.204 . 0 0 "[ . 1 . 2]" 1 267 1 18 ARG HA 1 20 LEU H 1.800 . 6.000 4.492 4.064 5.144 . 0 0 "[ . 1 . 2]" 1 268 1 18 ARG HA 1 20 LEU MD1 1.800 . 6.000 5.602 3.543 6.018 0.018 7 0 "[ . 1 . 2]" 1 269 1 18 ARG HA 1 20 LEU MD2 1.800 . 6.000 5.274 3.591 6.185 0.185 3 0 "[ . 1 . 2]" 1 270 1 18 ARG QB 1 19 CYS H 1.800 . 5.000 3.796 3.562 3.919 . 0 0 "[ . 1 . 2]" 1 271 1 18 ARG QB 1 90 LEU MD1 1.800 . 5.000 4.491 3.543 5.052 0.052 7 0 "[ . 1 . 2]" 1 272 1 18 ARG QB 1 90 LEU MD2 1.800 . 5.000 4.639 3.519 5.060 0.060 4 0 "[ . 1 . 2]" 1 273 1 18 ARG HB2 1 87 PHE QD 1.800 . 6.000 5.231 4.395 6.012 0.012 1 0 "[ . 1 . 2]" 1 274 1 18 ARG HB3 1 87 PHE QD 1.800 . 6.000 4.086 3.352 4.763 . 0 0 "[ . 1 . 2]" 1 275 1 18 ARG QG 1 87 PHE QE 1.800 . 5.000 4.806 3.857 5.058 0.058 15 0 "[ . 1 . 2]" 1 276 1 19 CYS HA 1 20 LEU QD 1.800 . 5.000 4.109 3.249 4.740 . 0 0 "[ . 1 . 2]" 1 277 1 19 CYS HA 1 20 LEU HG 1.800 . 6.300 5.404 4.719 6.455 0.155 1 0 "[ . 1 . 2]" 1 278 1 19 CYS HA 1 23 HIS QB 1.800 . 5.000 4.866 4.392 5.178 0.178 10 0 "[ . 1 . 2]" 1 279 1 19 CYS HA 1 23 HIS HD2 1.800 . 5.000 4.621 4.212 5.024 0.024 20 0 "[ . 1 . 2]" 1 280 1 19 CYS QB 1 23 HIS HD2 1.800 . 6.000 4.947 4.680 5.534 . 0 0 "[ . 1 . 2]" 1 281 1 19 CYS QB 1 87 PHE QD 1.800 . 6.000 4.841 3.639 5.860 . 0 0 "[ . 1 . 2]" 1 282 1 19 CYS QB 2 1 HEC HHC 1.800 . 5.000 4.282 3.749 4.682 . 0 0 "[ . 1 . 2]" 1 283 1 19 CYS HB2 1 20 LEU H 1.800 . 5.000 4.277 3.838 4.693 . 0 0 "[ . 1 . 2]" 1 284 1 19 CYS HB2 1 20 LEU HA 1.800 . 6.000 5.682 5.487 5.869 . 0 0 "[ . 1 . 2]" 1 285 1 19 CYS HB2 2 1 HEC HAB 1.800 . 5.000 2.759 2.343 3.016 . 0 0 "[ . 1 . 2]" 1 286 1 19 CYS HB3 1 20 LEU H 1.800 . 5.000 3.772 3.166 4.387 . 0 0 "[ . 1 . 2]" 1 287 1 19 CYS HB3 1 20 LEU HA 1.800 . 5.000 4.339 4.021 4.698 . 0 0 "[ . 1 . 2]" 1 288 1 19 CYS HB3 2 1 HEC HAB 1.800 . 5.000 3.864 3.587 4.017 . 0 0 "[ . 1 . 2]" 1 289 1 20 LEU H 1 20 LEU MD1 1.800 . 5.000 3.521 1.683 4.102 0.117 12 0 "[ . 1 . 2]" 1 290 1 20 LEU H 1 20 LEU MD2 1.800 . 5.000 2.588 1.704 4.049 0.096 18 0 "[ . 1 . 2]" 1 291 1 20 LEU H 1 20 LEU HG 1.800 . 5.000 2.577 1.884 4.153 . 0 0 "[ . 1 . 2]" 1 292 1 20 LEU H 1 21 GLN H 1.800 . 5.000 2.365 1.767 4.196 0.033 18 0 "[ . 1 . 2]" 1 293 1 20 LEU HA 1 20 LEU MD1 1.800 . 5.000 3.780 2.195 4.119 . 0 0 "[ . 1 . 2]" 1 294 1 20 LEU HA 1 20 LEU MD2 1.800 . 5.000 2.769 2.038 3.874 . 0 0 "[ . 1 . 2]" 1 295 1 20 LEU HA 1 21 GLN H 1.800 . 5.000 3.459 2.952 3.531 . 0 0 "[ . 1 . 2]" 1 296 1 20 LEU HA 1 22 CYS H 1.800 . 6.000 3.485 3.017 4.090 . 0 0 "[ . 1 . 2]" 1 297 1 20 LEU HA 1 23 HIS H 1.800 . 6.000 4.498 3.726 5.121 . 0 0 "[ . 1 . 2]" 1 298 1 21 GLN H 1 21 GLN QG 1.800 . 5.000 2.189 1.865 3.243 . 0 0 "[ . 1 . 2]" 1 299 1 21 GLN H 1 22 CYS H 1.800 . 5.000 2.802 2.527 2.987 . 0 0 "[ . 1 . 2]" 1 300 1 21 GLN QB 1 21 GLN HE22 1.800 . 5.000 3.852 3.670 4.097 . 0 0 "[ . 1 . 2]" 1 301 1 21 GLN HB2 1 21 GLN HE21 1.800 . 5.000 3.576 3.069 4.434 . 0 0 "[ . 1 . 2]" 1 302 1 21 GLN HB3 1 21 GLN HE21 1.800 . 5.000 4.230 4.013 4.416 . 0 0 "[ . 1 . 2]" 1 303 1 21 GLN HG2 1 22 CYS H 1.800 . 5.000 2.939 2.125 4.097 . 0 0 "[ . 1 . 2]" 1 304 1 21 GLN HG2 1 23 HIS H 1.800 . 6.000 5.085 4.552 5.715 . 0 0 "[ . 1 . 2]" 1 305 1 21 GLN HG3 1 22 CYS H 1.800 . 5.000 3.071 2.255 3.670 . 0 0 "[ . 1 . 2]" 1 306 1 21 GLN HG3 1 23 HIS H 1.800 . 5.000 5.013 4.881 5.117 0.117 5 0 "[ . 1 . 2]" 1 307 1 22 CYS H 1 23 HIS H 1.800 . 5.000 2.892 2.391 3.193 . 0 0 "[ . 1 . 2]" 1 308 1 22 CYS H 1 23 HIS QB 1.800 . 5.000 4.521 4.304 4.793 . 0 0 "[ . 1 . 2]" 1 309 1 22 CYS H 1 24 THR HA 1.800 . 5.000 4.849 4.362 5.148 0.148 7 0 "[ . 1 . 2]" 1 310 1 22 CYS HA 1 33 VAL H 1.800 . 5.000 3.566 2.770 4.051 . 0 0 "[ . 1 . 2]" 1 311 1 22 CYS HA 1 34 GLY H 1.800 . 5.000 3.382 2.598 3.925 . 0 0 "[ . 1 . 2]" 1 312 1 22 CYS QB 1 23 HIS HD2 1.800 . 3.500 2.951 2.688 3.199 . 0 0 "[ . 1 . 2]" 1 313 1 22 CYS QB 1 33 VAL H 1.800 . 5.000 4.598 4.394 4.857 . 0 0 "[ . 1 . 2]" 1 314 1 22 CYS QB 2 1 HEC HAB 1.800 . 6.000 5.320 4.859 5.986 . 0 0 "[ . 1 . 2]" 1 315 1 22 CYS QB 2 1 HEC HAC 1.800 . 5.000 2.347 2.296 2.402 . 0 0 "[ . 1 . 2]" 1 316 1 22 CYS HB2 1 23 HIS H 1.800 . 5.000 2.005 1.874 2.300 . 0 0 "[ . 1 . 2]" 1 317 1 22 CYS HB2 1 34 GLY H 1.800 . 5.000 4.691 4.219 4.944 . 0 0 "[ . 1 . 2]" 1 318 1 22 CYS HB2 2 1 HEC HHC 1.800 . 5.000 3.707 3.518 4.058 . 0 0 "[ . 1 . 2]" 1 319 1 22 CYS HB2 2 1 HEC HHD 1.800 . 5.000 4.975 4.855 5.057 0.057 8 0 "[ . 1 . 2]" 1 320 1 22 CYS HB3 1 23 HIS H 1.800 . 5.000 2.587 2.290 3.086 . 0 0 "[ . 1 . 2]" 1 321 1 22 CYS HB3 1 34 GLY H 1.800 . 5.000 3.033 2.496 3.353 . 0 0 "[ . 1 . 2]" 1 322 1 22 CYS HB3 2 1 HEC HHC 1.800 . 5.000 4.972 4.740 5.041 0.041 10 0 "[ . 1 . 2]" 1 323 1 22 CYS HB3 2 1 HEC HHD 1.800 . 5.000 3.751 3.516 3.860 . 0 0 "[ . 1 . 2]" 1 324 1 23 HIS H 1 23 HIS HD1 1.800 . 5.000 4.617 4.376 4.956 . 0 0 "[ . 1 . 2]" 1 325 1 23 HIS HA 1 24 THR H 1.800 . 3.500 3.033 2.192 3.561 0.061 10 0 "[ . 1 . 2]" 1 326 1 23 HIS HA 1 37 LEU MD1 1.800 . 6.000 5.435 4.939 6.061 0.061 7 0 "[ . 1 . 2]" 1 327 1 23 HIS HA 1 37 LEU MD2 1.800 . 6.000 4.849 3.773 5.455 . 0 0 "[ . 1 . 2]" 1 328 1 23 HIS QB 1 37 LEU H 1.800 . 5.000 4.455 2.219 5.062 0.062 3 0 "[ . 1 . 2]" 1 329 1 23 HIS HB2 1 24 THR H 1.800 . 5.000 3.401 2.592 4.474 . 0 0 "[ . 1 . 2]" 1 330 1 23 HIS HB2 1 37 LEU MD1 1.800 . 5.000 5.049 4.727 5.161 0.161 8 0 "[ . 1 . 2]" 1 331 1 23 HIS HB2 1 37 LEU MD2 1.800 . 6.000 3.350 2.901 3.956 . 0 0 "[ . 1 . 2]" 1 332 1 23 HIS HB3 1 24 THR H 1.800 . 5.000 3.710 3.409 4.259 . 0 0 "[ . 1 . 2]" 1 333 1 23 HIS HB3 1 37 LEU MD1 1.800 . 5.000 4.261 3.981 4.366 . 0 0 "[ . 1 . 2]" 1 334 1 23 HIS HB3 1 37 LEU MD2 1.800 . 5.000 2.988 2.054 3.773 . 0 0 "[ . 1 . 2]" 1 335 1 23 HIS HD1 1 24 THR H 1.800 . 6.000 5.419 4.496 5.859 . 0 0 "[ . 1 . 2]" 1 336 1 23 HIS HD1 1 25 VAL QG 1.800 . 5.000 4.387 3.842 5.117 0.117 7 0 "[ . 1 . 2]" 1 337 1 23 HIS HD1 1 34 GLY QA 1.800 . 6.000 3.992 3.716 4.398 . 0 0 "[ . 1 . 2]" 1 338 1 23 HIS HD1 1 35 PRO QB 1.800 . 6.000 3.740 3.335 4.340 . 0 0 "[ . 1 . 2]" 1 339 1 23 HIS HD1 1 35 PRO QG 1.800 . 6.000 3.114 2.770 4.027 . 0 0 "[ . 1 . 2]" 1 340 1 23 HIS HD1 1 37 LEU QB 1.800 . 5.000 2.035 1.747 4.852 0.053 16 0 "[ . 1 . 2]" 1 341 1 23 HIS HD1 1 37 LEU MD1 1.800 . 5.000 2.883 2.384 3.890 . 0 0 "[ . 1 . 2]" 1 342 1 23 HIS HD1 1 37 LEU MD2 1.800 . 5.000 3.225 2.008 3.649 . 0 0 "[ . 1 . 2]" 1 343 1 23 HIS HD1 1 37 LEU HG 1.800 . 5.000 4.761 4.463 5.016 0.016 8 0 "[ . 1 . 2]" 1 344 1 23 HIS HD2 1 37 LEU MD1 1.800 . 5.000 4.956 4.351 5.120 0.120 7 0 "[ . 1 . 2]" 1 345 1 23 HIS HD2 1 37 LEU MD2 1.800 . 5.000 3.784 3.517 4.137 . 0 0 "[ . 1 . 2]" 1 346 1 23 HIS HD2 1 85 MET ME 1.800 . 6.000 5.150 4.966 5.451 . 0 0 "[ . 1 . 2]" 1 347 1 23 HIS HD2 2 1 HEC HHB 1.800 . 6.000 5.518 5.290 5.846 . 0 0 "[ . 1 . 2]" 1 348 1 23 HIS HD2 2 1 HEC HHC 1.800 . 5.000 3.262 3.200 3.331 . 0 0 "[ . 1 . 2]" 1 349 1 23 HIS HE1 1 35 PRO HD2 1.800 . 5.000 2.390 2.273 2.838 . 0 0 "[ . 1 . 2]" 1 350 1 23 HIS HE1 1 35 PRO HD3 1.800 . 5.000 4.042 3.929 4.498 . 0 0 "[ . 1 . 2]" 1 351 1 23 HIS HE1 1 37 LEU MD1 1.800 . 6.000 2.841 2.301 4.167 . 0 0 "[ . 1 . 2]" 1 352 1 23 HIS HE1 1 37 LEU MD2 1.800 . 6.000 3.829 3.278 4.064 . 0 0 "[ . 1 . 2]" 1 353 1 24 THR HA 1 24 THR MG 1.800 . 3.500 2.289 2.125 3.138 . 0 0 "[ . 1 . 2]" 1 354 1 24 THR HA 1 25 VAL H 1.800 . 5.000 2.698 2.215 3.560 . 0 0 "[ . 1 . 2]" 1 355 1 24 THR HA 1 26 GLU H 1.800 . 5.000 3.971 3.253 4.760 . 0 0 "[ . 1 . 2]" 1 356 1 24 THR HB 1 25 VAL H 1.800 . 5.000 4.052 2.559 4.419 . 0 0 "[ . 1 . 2]" 1 357 1 24 THR MG 1 25 VAL H 1.800 . 5.000 3.567 1.859 4.109 . 0 0 "[ . 1 . 2]" 1 358 1 24 THR MG 1 26 GLU H 1.800 . 3.500 3.029 1.891 3.665 0.165 8 0 "[ . 1 . 2]" 1 359 1 25 VAL H 1 25 VAL MG1 1.800 . 5.000 3.741 2.429 4.032 . 0 0 "[ . 1 . 2]" 1 360 1 25 VAL H 1 25 VAL MG2 1.800 . 5.000 2.437 2.089 3.723 . 0 0 "[ . 1 . 2]" 1 361 1 25 VAL H 1 26 GLU H 1.800 . 3.500 3.147 2.812 3.629 0.129 4 0 "[ . 1 . 2]" 1 362 1 25 VAL H 1 106 ALA MB 1.800 . 6.000 6.040 5.674 6.184 0.184 14 0 "[ . 1 . 2]" 1 363 1 25 VAL HA 1 25 VAL HB 1.800 . 2.900 2.996 2.583 3.023 0.123 3 0 "[ . 1 . 2]" 1 364 1 25 VAL HA 1 25 VAL MG1 1.800 . 5.000 2.398 2.201 3.163 . 0 0 "[ . 1 . 2]" 1 365 1 25 VAL HA 1 25 VAL MG2 1.800 . 5.000 2.307 2.196 2.404 . 0 0 "[ . 1 . 2]" 1 366 1 25 VAL HA 1 27 LYS H 1.800 . 5.000 3.189 2.822 3.929 . 0 0 "[ . 1 . 2]" 1 367 1 25 VAL HB 1 26 GLU H 1.800 . 5.000 3.761 2.383 4.543 . 0 0 "[ . 1 . 2]" 1 368 1 25 VAL HB 1 37 LEU QD 1.800 . 6.000 5.082 3.395 5.771 . 0 0 "[ . 1 . 2]" 1 369 1 25 VAL HB 1 106 ALA MB 1.800 . 5.000 4.644 4.174 5.041 0.041 6 0 "[ . 1 . 2]" 1 370 1 25 VAL QG 1 37 LEU H 1.800 . 5.000 4.533 2.951 5.063 0.063 16 0 "[ . 1 . 2]" 1 371 1 25 VAL QG 1 102 TYR QE 1.800 . 5.000 2.514 2.081 3.121 . 0 0 "[ . 1 . 2]" 1 372 1 25 VAL QG 1 103 LEU MD1 1.800 . 6.000 4.578 3.337 5.532 . 0 0 "[ . 1 . 2]" 1 373 1 25 VAL QG 1 103 LEU MD2 1.800 . 6.000 4.063 3.317 5.259 . 0 0 "[ . 1 . 2]" 1 374 1 25 VAL MG1 1 26 GLU H 1.800 . 5.000 3.677 3.038 4.168 . 0 0 "[ . 1 . 2]" 1 375 1 25 VAL MG1 1 29 GLY H 1.800 . 6.000 5.201 3.984 6.153 0.153 12 0 "[ . 1 . 2]" 1 376 1 25 VAL MG1 1 37 LEU MD1 1.800 . 6.000 5.876 5.444 6.073 0.073 14 0 "[ . 1 . 2]" 1 377 1 25 VAL MG1 1 37 LEU MD2 1.800 . 6.000 4.495 3.754 5.161 . 0 0 "[ . 1 . 2]" 1 378 1 25 VAL MG1 1 102 TYR QD 1.800 . 5.000 4.575 3.784 5.008 0.008 1 0 "[ . 1 . 2]" 1 379 1 25 VAL MG1 1 106 ALA MB 1.800 . 3.500 2.388 2.169 3.467 . 0 0 "[ . 1 . 2]" 1 380 1 25 VAL MG2 1 26 GLU H 1.800 . 5.000 4.177 3.816 4.353 . 0 0 "[ . 1 . 2]" 1 381 1 25 VAL MG2 1 29 GLY H 1.800 . 6.000 5.875 4.974 6.127 0.127 20 0 "[ . 1 . 2]" 1 382 1 25 VAL MG2 1 37 LEU QD 1.800 . 3.500 2.883 2.393 3.434 . 0 0 "[ . 1 . 2]" 1 383 1 25 VAL MG2 1 102 TYR QD 1.800 . 5.000 4.345 4.005 4.662 . 0 0 "[ . 1 . 2]" 1 384 1 25 VAL MG2 1 106 ALA MB 1.800 . 3.500 2.894 2.111 3.534 0.034 5 0 "[ . 1 . 2]" 1 385 1 26 GLU H 1 26 GLU QB 1.800 . 3.500 2.506 2.257 3.127 . 0 0 "[ . 1 . 2]" 1 386 1 26 GLU HA 1 27 LYS H 1.800 . 5.000 3.066 2.913 3.334 . 0 0 "[ . 1 . 2]" 1 387 1 26 GLU QB 1 29 GLY QA 1.800 . 5.000 2.422 2.180 3.148 . 0 0 "[ . 1 . 2]" 1 388 1 26 GLU HB2 1 27 LYS H 1.800 . 5.000 4.245 3.717 4.570 . 0 0 "[ . 1 . 2]" 1 389 1 26 GLU HB3 1 27 LYS H 1.800 . 5.000 4.098 3.389 4.418 . 0 0 "[ . 1 . 2]" 1 390 1 27 LYS H 1 27 LYS QD 1.800 . 5.000 3.315 2.539 4.749 . 0 0 "[ . 1 . 2]" 1 391 1 27 LYS H 1 27 LYS QE 1.800 . 5.000 4.526 4.037 5.066 0.066 9 0 "[ . 1 . 2]" 1 392 1 27 LYS H 1 27 LYS HG2 1.800 . 5.000 3.636 2.760 5.265 0.265 20 0 "[ . 1 . 2]" 1 393 1 27 LYS H 1 27 LYS HG3 1.800 . 5.000 3.898 2.508 4.529 . 0 0 "[ . 1 . 2]" 1 394 1 27 LYS H 1 38 HIS HE1 1.800 . 5.000 3.874 3.218 4.390 . 0 0 "[ . 1 . 2]" 1 395 1 27 LYS HA 1 27 LYS QD 1.800 . 5.000 2.671 2.092 3.969 . 0 0 "[ . 1 . 2]" 1 396 1 27 LYS HA 1 27 LYS HG2 1.800 . 3.500 3.112 2.280 3.546 0.046 15 0 "[ . 1 . 2]" 1 397 1 27 LYS HA 1 27 LYS HG3 1.800 . 3.500 3.146 2.276 3.748 0.248 2 0 "[ . 1 . 2]" 1 398 1 27 LYS HA 1 28 GLY H 1.800 . 5.000 2.642 2.145 3.500 . 0 0 "[ . 1 . 2]" 1 399 1 27 LYS HA 1 29 GLY H 1.800 . 6.000 4.527 3.476 5.568 . 0 0 "[ . 1 . 2]" 1 400 1 27 LYS HA 1 38 HIS HD2 1.800 . 5.000 4.109 2.884 5.028 0.028 19 0 "[ . 1 . 2]" 1 401 1 27 LYS QB 1 28 GLY H 1.800 . 5.000 3.778 2.906 4.005 . 0 0 "[ . 1 . 2]" 1 402 1 27 LYS QB 1 38 HIS HD2 1.800 . 6.000 5.354 4.178 6.014 0.014 3 0 "[ . 1 . 2]" 1 403 1 27 LYS QB 1 38 HIS HE1 1.800 . 5.000 4.812 4.106 5.067 0.067 7 0 "[ . 1 . 2]" 1 404 1 27 LYS HB2 1 27 LYS QE 1.800 . 5.000 3.748 2.237 4.540 . 0 0 "[ . 1 . 2]" 1 405 1 27 LYS HB3 1 27 LYS QE 1.800 . 5.000 3.848 2.611 4.580 . 0 0 "[ . 1 . 2]" 1 406 1 27 LYS QD 1 28 GLY H 1.800 . 5.000 4.577 4.193 5.202 0.202 12 0 "[ . 1 . 2]" 1 407 1 27 LYS QD 1 38 HIS HE1 1.800 . 5.000 3.336 2.292 5.060 0.060 10 0 "[ . 1 . 2]" 1 408 1 27 LYS QE 1 27 LYS HG2 1.800 . 5.000 2.647 2.254 3.305 . 0 0 "[ . 1 . 2]" 1 409 1 27 LYS QE 1 27 LYS HG3 1.800 . 5.000 2.538 2.240 3.368 . 0 0 "[ . 1 . 2]" 1 410 1 27 LYS QE 1 28 GLY H 1.800 . 6.000 5.895 4.920 6.104 0.104 3 0 "[ . 1 . 2]" 1 411 1 27 LYS QE 1 38 HIS HE1 1.800 . 6.000 4.013 2.274 6.037 0.037 8 0 "[ . 1 . 2]" 1 412 1 27 LYS QG 1 38 HIS HE1 1.800 . 5.000 4.152 2.924 5.033 0.033 13 0 "[ . 1 . 2]" 1 413 1 27 LYS HG2 1 28 GLY H 1.800 . 6.000 5.142 4.292 5.741 . 0 0 "[ . 1 . 2]" 1 414 1 27 LYS HG3 1 28 GLY H 1.800 . 6.000 5.144 3.938 5.962 . 0 0 "[ . 1 . 2]" 1 415 1 28 GLY H 1 29 GLY H 1.800 . 5.000 2.380 1.790 3.361 0.010 2 0 "[ . 1 . 2]" 1 416 1 28 GLY HA2 1 29 GLY H 1.800 . 5.000 2.909 2.382 3.257 . 0 0 "[ . 1 . 2]" 1 417 1 28 GLY HA3 1 29 GLY H 1.800 . 5.000 3.488 3.354 3.586 . 0 0 "[ . 1 . 2]" 1 418 1 29 GLY QA 1 36 ASN QD 1.800 . 5.000 4.113 3.099 5.000 0.000 1 0 "[ . 1 . 2]" 1 419 1 30 PRO HA 1 31 HIS H 1.800 . 3.500 2.347 2.223 2.498 . 0 0 "[ . 1 . 2]" 1 420 1 30 PRO QB 1 31 HIS H 1.800 . 3.500 2.905 2.538 3.260 . 0 0 "[ . 1 . 2]" 1 421 1 31 HIS HA 1 32 LYS H 1.800 . 5.000 2.626 2.195 3.574 . 0 0 "[ . 1 . 2]" 1 422 1 31 HIS HA 1 35 PRO HA 1.800 . 5.000 4.067 3.534 4.729 . 0 0 "[ . 1 . 2]" 1 423 1 31 HIS HA 1 36 ASN H 1.800 . 6.000 3.764 3.244 4.647 . 0 0 "[ . 1 . 2]" 1 424 1 31 HIS HA 1 36 ASN QB 1.800 . 5.000 3.816 3.454 4.763 . 0 0 "[ . 1 . 2]" 1 425 1 31 HIS QB 1 36 ASN H 1.800 . 6.000 3.679 3.410 4.324 . 0 0 "[ . 1 . 2]" 1 426 1 31 HIS QB 1 51 TYR QD 1.800 . 5.000 2.868 2.579 3.351 . 0 0 "[ . 1 . 2]" 1 427 1 31 HIS HB2 1 32 LYS H 1.800 . 5.000 3.664 2.450 4.450 . 0 0 "[ . 1 . 2]" 1 428 1 31 HIS HB2 1 51 TYR QE 1.800 . 6.000 6.029 5.663 6.097 0.097 8 0 "[ . 1 . 2]" 1 429 1 31 HIS HB3 1 32 LYS H 1.800 . 5.000 3.369 3.025 4.211 . 0 0 "[ . 1 . 2]" 1 430 1 31 HIS HB3 1 51 TYR QE 1.800 . 6.000 5.063 4.868 5.544 . 0 0 "[ . 1 . 2]" 1 431 1 31 HIS HD2 1 51 TYR H 1.800 . 3.500 3.492 3.241 3.567 0.067 20 0 "[ . 1 . 2]" 1 432 1 31 HIS HD2 1 51 TYR HA 1.800 . 5.000 4.629 4.085 4.993 . 0 0 "[ . 1 . 2]" 1 433 1 31 HIS HD2 1 51 TYR QB 1.800 . 5.000 3.998 3.474 4.400 . 0 0 "[ . 1 . 2]" 1 434 1 31 HIS HE1 1 35 PRO HA 1.800 . 5.000 4.290 3.697 4.483 . 0 0 "[ . 1 . 2]" 1 435 1 31 HIS HE1 1 35 PRO HB2 1.800 . 5.000 4.736 4.094 5.020 0.020 17 0 "[ . 1 . 2]" 1 436 1 31 HIS HE1 1 35 PRO HB3 1.800 . 5.000 4.941 4.367 5.023 0.023 14 0 "[ . 1 . 2]" 1 437 1 31 HIS HE1 1 36 ASN H 1.800 . 5.000 2.558 2.137 2.762 . 0 0 "[ . 1 . 2]" 1 438 1 31 HIS HE1 1 36 ASN HB2 1.800 . 5.000 2.381 2.276 2.576 . 0 0 "[ . 1 . 2]" 1 439 1 31 HIS HE1 1 36 ASN HB3 1.800 . 5.000 2.754 2.279 3.124 . 0 0 "[ . 1 . 2]" 1 440 1 31 HIS HE1 1 48 ALA MB 1.800 . 5.000 3.089 2.343 3.528 . 0 0 "[ . 1 . 2]" 1 441 1 31 HIS HE1 1 51 TYR H 1.800 . 5.000 3.619 2.909 4.406 . 0 0 "[ . 1 . 2]" 1 442 1 31 HIS HE1 1 51 TYR QB 1.800 . 6.000 3.653 3.063 4.182 . 0 0 "[ . 1 . 2]" 1 443 1 32 LYS H 1 32 LYS QD 1.800 . 6.000 4.356 3.842 5.190 . 0 0 "[ . 1 . 2]" 1 444 1 32 LYS H 1 32 LYS QE 1.800 . 5.000 4.724 4.173 5.133 0.133 3 0 "[ . 1 . 2]" 1 445 1 32 LYS HA 1 32 LYS QD 1.800 . 5.000 3.840 2.232 3.956 . 0 0 "[ . 1 . 2]" 1 446 1 32 LYS HA 1 32 LYS QE 1.800 . 5.000 4.599 3.998 4.983 . 0 0 "[ . 1 . 2]" 1 447 1 32 LYS HA 1 32 LYS QG 1.800 . 5.000 2.355 2.261 2.536 . 0 0 "[ . 1 . 2]" 1 448 1 32 LYS QB 1 33 VAL H 1.800 . 2.900 1.846 1.718 2.639 0.082 12 0 "[ . 1 . 2]" 1 449 1 32 LYS QB 1 34 GLY H 1.800 . 6.000 3.103 2.831 4.334 . 0 0 "[ . 1 . 2]" 1 450 1 32 LYS HB2 1 32 LYS QE 1.800 . 5.000 3.678 2.172 4.013 . 0 0 "[ . 1 . 2]" 1 451 1 32 LYS HB3 1 32 LYS QE 1.800 . 5.000 3.780 2.057 4.189 . 0 0 "[ . 1 . 2]" 1 452 1 32 LYS QD 1 32 LYS QE 1.800 . 5.000 2.070 2.022 2.108 . 0 0 "[ . 1 . 2]" 1 453 1 32 LYS QE 1 32 LYS QG 1.800 . 5.000 2.167 2.091 2.334 . 0 0 "[ . 1 . 2]" 1 454 1 32 LYS QE 1 33 VAL H 1.800 . 6.000 5.207 2.320 6.007 0.007 18 0 "[ . 1 . 2]" 1 455 1 33 VAL H 1 33 VAL HB 1.800 . 2.900 2.505 2.427 2.909 0.009 18 0 "[ . 1 . 2]" 1 456 1 33 VAL H 1 33 VAL MG1 1.800 . 5.000 3.703 2.277 3.915 . 0 0 "[ . 1 . 2]" 1 457 1 33 VAL H 1 33 VAL MG2 1.800 . 5.000 2.446 2.123 3.789 . 0 0 "[ . 1 . 2]" 1 458 1 33 VAL HA 1 33 VAL MG1 1.800 . 5.000 2.411 2.326 3.173 . 0 0 "[ . 1 . 2]" 1 459 1 33 VAL HA 1 33 VAL MG2 1.800 . 5.000 2.294 2.198 2.375 . 0 0 "[ . 1 . 2]" 1 460 1 33 VAL HA 1 51 TYR QD 1.800 . 5.000 5.063 5.013 5.109 0.109 16 0 "[ . 1 . 2]" 1 461 1 33 VAL HB 1 34 GLY H 1.800 . 5.000 2.641 1.964 3.734 . 0 0 "[ . 1 . 2]" 1 462 1 33 VAL HB 2 1 HEC HAC 1.800 . 5.000 2.668 2.430 4.725 . 0 0 "[ . 1 . 2]" 1 463 1 33 VAL HB 2 1 HEC HHD 1.800 . 6.000 4.181 3.872 6.022 0.022 19 0 "[ . 1 . 2]" 1 464 1 33 VAL MG1 1 34 GLY H 1.800 . 5.000 3.190 1.773 3.492 0.027 19 0 "[ . 1 . 2]" 1 465 1 33 VAL MG1 1 34 GLY QA 1.800 . 5.000 3.258 2.768 3.468 . 0 0 "[ . 1 . 2]" 1 466 1 33 VAL MG1 2 1 HEC HAC 1.800 . 5.000 2.400 2.057 2.773 . 0 0 "[ . 1 . 2]" 1 467 1 33 VAL MG1 2 1 HEC HHD 1.800 . 5.000 2.547 2.416 2.971 . 0 0 "[ . 1 . 2]" 1 468 1 33 VAL MG2 1 34 GLY H 1.800 . 5.000 3.900 3.647 3.974 . 0 0 "[ . 1 . 2]" 1 469 1 33 VAL MG2 1 34 GLY QA 1.800 . 5.000 4.871 3.820 4.951 . 0 0 "[ . 1 . 2]" 1 470 1 33 VAL MG2 2 1 HEC HAC 1.800 . 5.000 3.873 3.727 4.053 . 0 0 "[ . 1 . 2]" 1 471 1 33 VAL MG2 2 1 HEC HHD 1.800 . 5.000 5.003 4.082 5.115 0.115 3 0 "[ . 1 . 2]" 1 472 1 34 GLY QA 1 35 PRO HD2 1.800 . 6.000 2.189 2.150 2.220 . 0 0 "[ . 1 . 2]" 1 473 1 34 GLY QA 1 35 PRO HD3 1.800 . 6.000 2.349 2.293 2.383 . 0 0 "[ . 1 . 2]" 1 474 1 34 GLY QA 1 51 TYR QB 1.800 . 5.000 5.062 5.011 5.103 0.103 13 0 "[ . 1 . 2]" 1 475 1 34 GLY QA 2 1 HEC HAC 1.800 . 3.500 3.588 3.523 3.656 0.156 16 0 "[ . 1 . 2]" 1 476 1 34 GLY HA2 1 51 TYR QD 1.800 . 6.000 4.307 4.196 4.536 . 0 0 "[ . 1 . 2]" 1 477 1 34 GLY HA2 1 51 TYR QE 1.800 . 6.000 3.378 3.011 3.858 . 0 0 "[ . 1 . 2]" 1 478 1 34 GLY HA2 2 1 HEC HHD 1.800 . 5.000 3.760 3.487 4.068 . 0 0 "[ . 1 . 2]" 1 479 1 34 GLY HA3 1 51 TYR QD 1.800 . 6.000 5.514 5.324 5.721 . 0 0 "[ . 1 . 2]" 1 480 1 34 GLY HA3 1 51 TYR QE 1.800 . 6.000 4.976 4.585 5.498 . 0 0 "[ . 1 . 2]" 1 481 1 34 GLY HA3 2 1 HEC HHD 1.800 . 5.000 3.405 3.198 3.769 . 0 0 "[ . 1 . 2]" 1 482 1 35 PRO HA 1 36 ASN H 1.800 . 5.000 2.325 2.281 2.375 . 0 0 "[ . 1 . 2]" 1 483 1 35 PRO HA 1 48 ALA MB 1.800 . 5.000 3.779 3.305 4.023 . 0 0 "[ . 1 . 2]" 1 484 1 35 PRO HA 1 51 TYR QD 1.800 . 5.000 3.268 3.045 3.547 . 0 0 "[ . 1 . 2]" 1 485 1 35 PRO QB 1 37 LEU MD1 1.800 . 6.000 3.922 3.614 5.499 . 0 0 "[ . 1 . 2]" 1 486 1 35 PRO QB 1 37 LEU MD2 1.800 . 6.000 5.531 4.485 6.076 0.076 9 0 "[ . 1 . 2]" 1 487 1 35 PRO QB 1 51 TYR QD 1.800 . 5.000 2.433 2.317 2.689 . 0 0 "[ . 1 . 2]" 1 488 1 35 PRO HB2 1 36 ASN H 1.800 . 5.000 3.031 2.895 3.147 . 0 0 "[ . 1 . 2]" 1 489 1 35 PRO HB2 1 48 ALA MB 1.800 . 3.500 3.157 2.609 3.518 0.018 1 0 "[ . 1 . 2]" 1 490 1 35 PRO HB3 1 36 ASN H 1.800 . 5.000 3.541 3.440 3.724 . 0 0 "[ . 1 . 2]" 1 491 1 35 PRO HB3 1 48 ALA MB 1.800 . 3.500 2.711 2.261 2.967 . 0 0 "[ . 1 . 2]" 1 492 1 35 PRO QD 1 51 TYR QD 1.800 . 5.000 3.510 3.335 3.705 . 0 0 "[ . 1 . 2]" 1 493 1 35 PRO QD 1 53 TYR QE 1.800 . 5.000 4.002 3.687 4.641 . 0 0 "[ . 1 . 2]" 1 494 1 35 PRO HD2 2 1 HEC HHA 1.800 . 5.000 3.968 3.499 4.294 . 0 0 "[ . 1 . 2]" 1 495 1 35 PRO HD3 2 1 HEC HHA 1.800 . 5.000 4.735 4.354 5.033 0.033 19 0 "[ . 1 . 2]" 1 496 1 35 PRO QG 1 37 LEU MD1 1.800 . 5.000 3.118 2.811 5.026 0.026 7 0 "[ . 1 . 2]" 1 497 1 35 PRO QG 1 37 LEU QD 1.800 . 6.000 3.044 2.790 4.086 . 0 0 "[ . 1 . 2]" 1 498 1 35 PRO QG 1 37 LEU MD2 1.800 . 5.000 4.832 4.324 5.068 0.068 9 0 "[ . 1 . 2]" 1 499 1 35 PRO QG 1 51 TYR QD 1.800 . 5.000 3.405 3.028 3.861 . 0 0 "[ . 1 . 2]" 1 500 1 35 PRO QG 1 53 TYR HE1 1.800 . 5.000 4.688 4.057 5.080 0.080 17 0 "[ . 1 . 2]" 1 501 1 35 PRO QG 1 53 TYR HE2 1.800 . 5.000 2.442 2.215 3.338 . 0 0 "[ . 1 . 2]" 1 502 1 36 ASN H 1 37 LEU H 1.800 . 6.000 2.905 2.674 4.653 . 0 0 "[ . 1 . 2]" 1 503 1 36 ASN H 1 48 ALA MB 1.800 . 5.000 3.689 3.190 3.953 . 0 0 "[ . 1 . 2]" 1 504 1 36 ASN H 1 51 TYR QD 1.800 . 5.000 4.869 4.640 5.062 0.062 11 0 "[ . 1 . 2]" 1 505 1 36 ASN HA 1 36 ASN QD 1.800 . 5.000 3.592 1.798 3.994 0.002 3 0 "[ . 1 . 2]" 1 506 1 36 ASN HA 1 37 LEU H 1.800 . 5.000 3.342 2.210 3.518 . 0 0 "[ . 1 . 2]" 1 507 1 36 ASN HB2 1 37 LEU H 1.800 . 5.000 3.998 3.865 4.559 . 0 0 "[ . 1 . 2]" 1 508 1 36 ASN HB2 1 48 ALA MB 1.800 . 5.000 4.869 4.355 5.039 0.039 20 0 "[ . 1 . 2]" 1 509 1 36 ASN HB3 1 37 LEU H 1.800 . 5.000 3.102 2.839 4.304 . 0 0 "[ . 1 . 2]" 1 510 1 36 ASN HB3 1 48 ALA MB 1.800 . 5.000 4.636 4.315 4.858 . 0 0 "[ . 1 . 2]" 1 511 1 37 LEU H 1 37 LEU QB 1.800 . 3.500 2.970 2.217 3.143 . 0 0 "[ . 1 . 2]" 1 512 1 37 LEU H 1 37 LEU MD1 1.800 . 5.000 3.635 3.538 3.825 . 0 0 "[ . 1 . 2]" 1 513 1 37 LEU H 1 37 LEU MD2 1.800 . 5.000 4.737 1.665 5.000 0.135 7 0 "[ . 1 . 2]" 1 514 1 37 LEU H 1 37 LEU HG 1.800 . 5.000 4.799 3.513 4.939 . 0 0 "[ . 1 . 2]" 1 515 1 37 LEU H 1 38 HIS H 1.800 . 3.500 2.654 2.346 3.568 0.068 9 0 "[ . 1 . 2]" 1 516 1 37 LEU H 1 103 LEU QD 1.800 . 6.300 6.197 5.031 6.536 0.236 13 0 "[ . 1 . 2]" 1 517 1 37 LEU HA 1 37 LEU MD1 1.800 . 5.000 2.035 1.998 2.227 . 0 0 "[ . 1 . 2]" 1 518 1 37 LEU HA 1 37 LEU MD2 1.800 . 5.000 3.673 2.211 3.770 . 0 0 "[ . 1 . 2]" 1 519 1 37 LEU HA 1 38 HIS H 1.800 . 3.500 2.878 2.499 3.508 0.008 7 0 "[ . 1 . 2]" 1 520 1 37 LEU HA 1 39 GLY H 1.800 . 3.500 3.513 3.362 3.732 0.232 7 0 "[ . 1 . 2]" 1 521 1 37 LEU QB 1 37 LEU MD1 1.800 . 5.000 2.234 2.183 2.306 . 0 0 "[ . 1 . 2]" 1 522 1 37 LEU QB 1 37 LEU MD2 1.800 . 5.000 2.100 2.039 2.501 . 0 0 "[ . 1 . 2]" 1 523 1 37 LEU QB 1 38 HIS H 1.800 . 5.000 3.767 2.703 4.005 . 0 0 "[ . 1 . 2]" 1 524 1 37 LEU QB 1 39 GLY H 1.800 . 6.000 5.033 4.466 5.237 . 0 0 "[ . 1 . 2]" 1 525 1 37 LEU QB 1 40 ILE MD 1.800 . 5.000 4.146 3.666 4.894 . 0 0 "[ . 1 . 2]" 1 526 1 37 LEU QB 2 1 HEC HHB 1.800 . 6.000 5.823 5.478 6.091 0.091 7 0 "[ . 1 . 2]" 1 527 1 37 LEU MD1 1 38 HIS H 1.800 . 6.000 4.345 3.955 4.837 . 0 0 "[ . 1 . 2]" 1 528 1 37 LEU MD1 1 40 ILE MD 1.800 . 5.000 1.947 1.780 2.671 0.020 9 0 "[ . 1 . 2]" 1 529 1 37 LEU MD1 1 40 ILE MG 1.800 . 5.000 3.120 2.120 3.714 . 0 0 "[ . 1 . 2]" 1 530 1 37 LEU MD1 1 41 PHE HZ 1.800 . 6.000 4.913 3.725 5.727 . 0 0 "[ . 1 . 2]" 1 531 1 37 LEU MD1 1 69 MET ME 1.800 . 5.000 3.600 3.104 4.093 . 0 0 "[ . 1 . 2]" 1 532 1 37 LEU MD1 1 103 LEU MD1 1.800 . 5.000 3.247 2.098 3.932 . 0 0 "[ . 1 . 2]" 1 533 1 37 LEU MD1 1 103 LEU MD2 1.800 . 5.000 3.184 2.137 4.335 . 0 0 "[ . 1 . 2]" 1 534 1 37 LEU MD1 2 1 HEC HAA1 1.800 . 6.000 3.743 3.447 4.470 . 0 0 "[ . 1 . 2]" 1 535 1 37 LEU MD1 2 1 HEC HHA 1.800 . 6.000 4.677 4.201 5.936 . 0 0 "[ . 1 . 2]" 1 536 1 37 LEU MD1 2 1 HEC HHB 1.800 . 5.000 3.585 2.955 3.951 . 0 0 "[ . 1 . 2]" 1 537 1 37 LEU MD2 1 38 HIS H 1.800 . 6.000 5.410 3.804 5.558 . 0 0 "[ . 1 . 2]" 1 538 1 37 LEU MD2 1 40 ILE MD 1.800 . 5.000 3.853 2.668 4.688 . 0 0 "[ . 1 . 2]" 1 539 1 37 LEU MD2 1 40 ILE MG 1.800 . 5.000 4.990 4.220 5.187 0.187 16 0 "[ . 1 . 2]" 1 540 1 37 LEU MD2 1 41 PHE HZ 1.800 . 6.000 5.612 4.380 6.158 0.158 7 0 "[ . 1 . 2]" 1 541 1 37 LEU MD2 1 69 MET ME 1.800 . 5.000 4.740 4.482 5.026 0.026 7 0 "[ . 1 . 2]" 1 542 1 37 LEU MD2 1 103 LEU MD1 1.800 . 5.000 2.352 1.862 4.208 . 0 0 "[ . 1 . 2]" 1 543 1 37 LEU MD2 1 103 LEU MD2 1.800 . 5.000 2.108 1.787 3.507 0.013 9 0 "[ . 1 . 2]" 1 544 1 37 LEU MD2 2 1 HEC HAA1 1.800 . 6.000 5.237 5.107 5.476 . 0 0 "[ . 1 . 2]" 1 545 1 37 LEU MD2 2 1 HEC HHA 1.800 . 6.000 6.147 6.032 6.216 0.216 8 0 "[ . 1 . 2]" 1 546 1 37 LEU MD2 2 1 HEC HHB 1.800 . 5.000 3.258 2.846 4.304 . 0 0 "[ . 1 . 2]" 1 547 1 37 LEU HG 1 38 HIS H 1.800 . 5.000 4.717 4.515 4.972 . 0 0 "[ . 1 . 2]" 1 548 1 37 LEU HG 1 41 PHE QE 1.800 . 6.000 3.967 2.620 4.458 . 0 0 "[ . 1 . 2]" 1 549 1 37 LEU HG 1 106 ALA H 1.800 . 6.000 6.117 6.051 6.177 0.177 5 0 "[ . 1 . 2]" 1 550 1 38 HIS H 1 40 ILE H 1.800 . 5.000 3.573 2.965 4.235 . 0 0 "[ . 1 . 2]" 1 551 1 38 HIS HA 1 38 HIS HD2 1.800 . 5.000 4.106 3.709 4.690 . 0 0 "[ . 1 . 2]" 1 552 1 38 HIS HA 1 39 GLY H 1.800 . 3.500 3.351 3.219 3.487 . 0 0 "[ . 1 . 2]" 1 553 1 38 HIS HA 1 107 THR HA 1.800 . 3.500 3.335 2.726 3.557 0.057 5 0 "[ . 1 . 2]" 1 554 1 38 HIS QB 1 39 GLY H 1.800 . 3.500 3.273 2.683 3.510 0.010 10 0 "[ . 1 . 2]" 1 555 1 38 HIS HD2 1 39 GLY H 1.800 . 6.000 6.026 5.664 6.171 0.171 18 0 "[ . 1 . 2]" 1 556 1 38 HIS HE1 1 103 LEU QD 1.800 . 6.000 6.113 6.017 6.203 0.203 16 0 "[ . 1 . 2]" 1 557 1 39 GLY H 1 40 ILE H 1.800 . 5.000 2.060 1.857 2.540 . 0 0 "[ . 1 . 2]" 1 558 1 39 GLY H 1 40 ILE MD 1.800 . 6.000 5.129 4.848 5.608 . 0 0 "[ . 1 . 2]" 1 559 1 39 GLY H 1 40 ILE MG 1.800 . 6.000 5.197 3.826 5.831 . 0 0 "[ . 1 . 2]" 1 560 1 40 ILE H 1 40 ILE MD 1.800 . 5.000 3.979 3.626 4.345 . 0 0 "[ . 1 . 2]" 1 561 1 40 ILE H 1 40 ILE HG12 1.800 . 5.000 3.417 2.525 4.580 . 0 0 "[ . 1 . 2]" 1 562 1 40 ILE H 1 40 ILE HG13 1.800 . 5.000 2.749 2.040 4.394 . 0 0 "[ . 1 . 2]" 1 563 1 40 ILE H 1 40 ILE MG 1.800 . 5.000 3.554 2.311 3.798 . 0 0 "[ . 1 . 2]" 1 564 1 40 ILE HA 1 40 ILE MD 1.800 . 5.000 3.589 3.384 3.763 . 0 0 "[ . 1 . 2]" 1 565 1 40 ILE HA 1 40 ILE QG 1.800 . 3.500 2.223 2.128 2.373 . 0 0 "[ . 1 . 2]" 1 566 1 40 ILE HA 1 40 ILE MG 1.800 . 3.500 2.633 2.309 3.218 . 0 0 "[ . 1 . 2]" 1 567 1 40 ILE HA 1 41 PHE H 1.800 . 3.500 3.448 2.413 3.551 0.051 7 0 "[ . 1 . 2]" 1 568 1 40 ILE HB 1 40 ILE MD 1.800 . 3.500 2.521 2.299 2.738 . 0 0 "[ . 1 . 2]" 1 569 1 40 ILE MD 1 41 PHE H 1.800 . 5.000 4.943 4.205 5.082 0.082 11 0 "[ . 1 . 2]" 1 570 1 40 ILE MD 1 41 PHE HZ 1.800 . 5.000 5.000 4.500 5.112 0.112 16 0 "[ . 1 . 2]" 1 571 1 40 ILE MD 1 64 TRP HB2 1.800 . 5.000 4.738 3.786 5.093 0.093 7 0 "[ . 1 . 2]" 1 572 1 40 ILE MD 1 64 TRP HB3 1.800 . 5.000 4.388 3.379 4.762 . 0 0 "[ . 1 . 2]" 1 573 1 40 ILE MD 1 64 TRP HH2 1.800 . 6.000 5.936 5.197 6.126 0.126 9 0 "[ . 1 . 2]" 1 574 1 40 ILE QG 1 41 PHE H 1.800 . 5.000 4.208 4.012 4.427 . 0 0 "[ . 1 . 2]" 1 575 1 40 ILE QG 1 41 PHE QE 1.800 . 5.000 4.922 4.390 5.111 0.111 14 0 "[ . 1 . 2]" 1 576 1 40 ILE QG 1 64 TRP QB 1.800 . 5.000 4.439 2.289 4.937 . 0 0 "[ . 1 . 2]" 1 577 1 40 ILE MG 1 41 PHE H 1.800 . 5.000 3.232 1.831 3.719 . 0 0 "[ . 1 . 2]" 1 578 1 40 ILE MG 1 41 PHE QE 1.800 . 5.000 3.410 2.449 3.936 . 0 0 "[ . 1 . 2]" 1 579 1 40 ILE MG 1 41 PHE HZ 1.800 . 5.000 3.981 3.529 4.366 . 0 0 "[ . 1 . 2]" 1 580 1 40 ILE MG 1 64 TRP HD1 1.800 . 5.000 2.816 2.300 4.384 . 0 0 "[ . 1 . 2]" 1 581 1 40 ILE MG 1 69 MET ME 1.800 . 2.900 2.156 1.883 2.543 . 0 0 "[ . 1 . 2]" 1 582 1 40 ILE MG 2 1 HEC HAA1 1.800 . 3.500 3.442 3.104 3.755 0.255 14 0 "[ . 1 . 2]" 1 583 1 40 ILE MG 2 1 HEC HAA2 1.800 . 5.000 3.841 3.227 4.812 . 0 0 "[ . 1 . 2]" 1 584 1 41 PHE H 1 42 GLY H 1.800 . 5.000 4.430 2.512 4.622 . 0 0 "[ . 1 . 2]" 1 585 1 41 PHE H 1 107 THR MG 1.800 . 5.000 4.880 4.211 5.121 0.121 2 0 "[ . 1 . 2]" 1 586 1 41 PHE HA 1 41 PHE QD 1.800 . 5.000 2.856 2.612 3.024 . 0 0 "[ . 1 . 2]" 1 587 1 41 PHE HA 1 42 GLY H 1.800 . 3.500 2.243 2.170 3.003 . 0 0 "[ . 1 . 2]" 1 588 1 41 PHE QB 1 65 ASP HA 1.800 . 5.000 4.458 3.880 4.997 . 0 0 "[ . 1 . 2]" 1 589 1 41 PHE HB2 1 41 PHE QD 1.800 . 2.900 2.409 2.338 2.489 . 0 0 "[ . 1 . 2]" 1 590 1 41 PHE HB2 1 42 GLY H 1.800 . 5.000 4.177 4.022 4.230 . 0 0 "[ . 1 . 2]" 1 591 1 41 PHE HB3 1 41 PHE QD 1.800 . 2.900 2.422 2.348 2.533 . 0 0 "[ . 1 . 2]" 1 592 1 41 PHE HB3 1 42 GLY H 1.800 . 5.000 3.373 3.101 4.492 . 0 0 "[ . 1 . 2]" 1 593 1 41 PHE QD 1 42 GLY H 1.800 . 5.000 4.253 3.995 4.723 . 0 0 "[ . 1 . 2]" 1 594 1 41 PHE QD 1 65 ASP HA 1.800 . 5.000 2.437 2.257 2.844 . 0 0 "[ . 1 . 2]" 1 595 1 41 PHE QD 1 66 GLU H 1.800 . 5.000 4.295 3.846 4.904 . 0 0 "[ . 1 . 2]" 1 596 1 41 PHE QD 1 66 GLU HA 1.800 . 6.000 5.398 4.727 6.037 0.037 7 0 "[ . 1 . 2]" 1 597 1 41 PHE QD 1 69 MET ME 1.800 . 5.000 4.123 3.527 4.858 . 0 0 "[ . 1 . 2]" 1 598 1 41 PHE QD 1 103 LEU HA 1.800 . 6.000 5.837 5.296 6.084 0.084 14 0 "[ . 1 . 2]" 1 599 1 41 PHE QD 1 103 LEU QB 1.800 . 5.000 4.473 4.073 4.723 . 0 0 "[ . 1 . 2]" 1 600 1 41 PHE QD 1 104 LYS HA 1.800 . 5.000 4.379 3.866 5.021 0.021 7 0 "[ . 1 . 2]" 1 601 1 41 PHE QE 1 65 ASP HA 1.800 . 5.000 2.724 2.275 3.468 . 0 0 "[ . 1 . 2]" 1 602 1 41 PHE QE 1 66 GLU H 1.800 . 5.000 3.567 3.061 4.171 . 0 0 "[ . 1 . 2]" 1 603 1 41 PHE QE 1 66 GLU HA 1.800 . 5.000 3.434 2.944 3.940 . 0 0 "[ . 1 . 2]" 1 604 1 41 PHE QE 1 66 GLU QB 1.800 . 6.000 4.879 4.554 5.202 . 0 0 "[ . 1 . 2]" 1 605 1 41 PHE QE 1 66 GLU HG2 1.800 . 5.000 4.170 3.464 5.034 0.034 13 0 "[ . 1 . 2]" 1 606 1 41 PHE QE 1 66 GLU HG3 1.800 . 5.000 4.100 3.390 5.011 0.011 9 0 "[ . 1 . 2]" 1 607 1 41 PHE QE 1 69 MET QB 1.800 . 6.000 4.370 3.445 5.068 . 0 0 "[ . 1 . 2]" 1 608 1 41 PHE QE 1 69 MET ME 1.800 . 5.000 2.929 2.400 3.874 . 0 0 "[ . 1 . 2]" 1 609 1 41 PHE QE 1 100 ILE MG 1.800 . 5.000 4.710 4.043 5.051 0.051 9 0 "[ . 1 . 2]" 1 610 1 41 PHE QE 1 103 LEU HA 1.800 . 5.000 4.263 3.861 4.595 . 0 0 "[ . 1 . 2]" 1 611 1 41 PHE QE 1 103 LEU QB 1.800 . 3.500 2.513 2.240 2.889 . 0 0 "[ . 1 . 2]" 1 612 1 41 PHE QE 1 103 LEU MD1 1.800 . 5.000 3.696 2.179 4.874 . 0 0 "[ . 1 . 2]" 1 613 1 41 PHE QE 1 103 LEU MD2 1.800 . 6.000 3.801 2.589 4.782 . 0 0 "[ . 1 . 2]" 1 614 1 41 PHE QE 1 104 LYS H 1.800 . 5.000 4.883 4.700 5.072 0.072 7 0 "[ . 1 . 2]" 1 615 1 41 PHE QE 1 104 LYS HA 1.800 . 5.000 4.178 3.887 4.391 . 0 0 "[ . 1 . 2]" 1 616 1 41 PHE QE 1 106 ALA MB 1.800 . 6.000 4.183 3.723 4.593 . 0 0 "[ . 1 . 2]" 1 617 1 41 PHE HZ 1 66 GLU HA 1.800 . 6.000 4.409 3.968 4.646 . 0 0 "[ . 1 . 2]" 1 618 1 41 PHE HZ 1 66 GLU QB 1.800 . 6.000 5.984 5.483 6.061 0.061 7 0 "[ . 1 . 2]" 1 619 1 41 PHE HZ 1 69 MET HB2 1.800 . 6.000 4.804 3.844 5.680 . 0 0 "[ . 1 . 2]" 1 620 1 41 PHE HZ 1 69 MET HB3 1.800 . 6.000 4.961 4.531 5.911 . 0 0 "[ . 1 . 2]" 1 621 1 41 PHE HZ 1 69 MET ME 1.800 . 5.000 2.620 2.150 3.642 . 0 0 "[ . 1 . 2]" 1 622 1 41 PHE HZ 1 103 LEU QB 1.800 . 3.500 2.798 2.278 3.243 . 0 0 "[ . 1 . 2]" 1 623 1 41 PHE HZ 1 103 LEU MD1 1.800 . 6.000 3.793 2.744 5.658 . 0 0 "[ . 1 . 2]" 1 624 1 41 PHE HZ 1 103 LEU MD2 1.800 . 6.000 4.284 2.027 5.298 . 0 0 "[ . 1 . 2]" 1 625 1 41 PHE HZ 1 104 LYS HA 1.800 . 5.000 4.845 4.135 5.060 0.060 16 0 "[ . 1 . 2]" 1 626 1 42 GLY H 1 43 ARG H 1.800 . 5.000 3.841 2.921 4.477 . 0 0 "[ . 1 . 2]" 1 627 1 42 GLY H 1 63 LEU MD1 1.800 . 6.000 3.364 2.105 5.438 . 0 0 "[ . 1 . 2]" 1 628 1 42 GLY H 1 63 LEU MD2 1.800 . 6.000 4.047 1.910 5.973 . 0 0 "[ . 1 . 2]" 1 629 1 42 GLY H 1 63 LEU HG 1.800 . 6.000 4.688 3.849 6.198 0.198 6 0 "[ . 1 . 2]" 1 630 1 42 GLY H 1 64 TRP H 1.800 . 6.000 4.131 3.302 4.540 . 0 0 "[ . 1 . 2]" 1 631 1 42 GLY QA 1 43 ARG H 1.800 . 5.000 2.305 2.164 2.645 . 0 0 "[ . 1 . 2]" 1 632 1 42 GLY QA 1 63 LEU QD 1.800 . 5.000 3.632 2.562 4.873 . 0 0 "[ . 1 . 2]" 1 633 1 43 ARG H 1 43 ARG HD2 1.800 . 5.000 4.652 4.082 5.074 0.074 19 0 "[ . 1 . 2]" 1 634 1 43 ARG H 1 43 ARG HD3 1.800 . 5.000 4.352 3.283 5.055 0.055 1 0 "[ . 1 . 2]" 1 635 1 43 ARG H 1 43 ARG QG 1.800 . 5.000 2.493 1.744 4.482 0.056 7 0 "[ . 1 . 2]" 1 636 1 43 ARG H 1 63 LEU QD 1.800 . 5.000 3.895 3.120 5.028 0.028 6 0 "[ . 1 . 2]" 1 637 1 43 ARG HA 1 44 HIS H 1.800 . 5.000 2.905 2.189 3.592 . 0 0 "[ . 1 . 2]" 1 638 1 43 ARG QB 1 44 HIS HD2 1.800 . 5.000 3.942 2.282 5.033 0.033 1 0 "[ . 1 . 2]" 1 639 1 43 ARG HB2 1 44 HIS H 1.800 . 5.000 3.108 1.783 4.306 0.017 20 0 "[ . 1 . 2]" 1 640 1 43 ARG HB3 1 44 HIS H 1.800 . 5.000 3.008 1.766 4.319 0.034 15 0 "[ . 1 . 2]" 1 641 1 43 ARG HD2 1 44 HIS HD2 1.800 . 5.000 4.510 2.735 5.065 0.065 14 0 "[ . 1 . 2]" 1 642 1 43 ARG HD3 1 44 HIS HD2 1.800 . 5.000 5.015 4.482 5.102 0.102 5 0 "[ . 1 . 2]" 1 643 1 43 ARG QG 1 47 GLN QG 1.800 . 3.500 3.271 2.500 3.622 0.122 1 0 "[ . 1 . 2]" 1 644 1 43 ARG HG2 1 44 HIS H 1.800 . 5.000 4.102 1.829 5.192 0.192 18 0 "[ . 1 . 2]" 1 645 1 43 ARG HG3 1 44 HIS H 1.800 . 5.000 3.379 1.763 4.623 0.037 7 0 "[ . 1 . 2]" 1 646 1 44 HIS H 1 45 SER H 1.800 . 5.000 4.597 4.456 4.712 . 0 0 "[ . 1 . 2]" 1 647 1 44 HIS H 1 47 GLN QE 1.800 . 5.000 4.827 3.819 5.189 0.189 9 0 "[ . 1 . 2]" 1 648 1 44 HIS HA 1 44 HIS HD2 1.800 . 3.500 2.546 2.297 3.391 . 0 0 "[ . 1 . 2]" 1 649 1 44 HIS HA 1 45 SER H 1.800 . 5.000 2.547 2.302 2.815 . 0 0 "[ . 1 . 2]" 1 650 1 44 HIS HA 1 45 SER QB 1.800 . 5.000 4.614 4.360 5.099 0.099 9 0 "[ . 1 . 2]" 1 651 1 44 HIS HA 1 62 VAL MG1 1.800 . 6.000 4.953 4.425 6.141 0.141 3 0 "[ . 1 . 2]" 1 652 1 44 HIS HA 1 62 VAL MG2 1.800 . 6.000 5.367 4.769 6.101 0.101 14 0 "[ . 1 . 2]" 1 653 1 44 HIS HA 1 63 LEU HA 1.800 . 5.000 2.747 2.253 3.084 . 0 0 "[ . 1 . 2]" 1 654 1 44 HIS HA 1 63 LEU HB2 1.800 . 6.000 3.642 3.007 4.715 . 0 0 "[ . 1 . 2]" 1 655 1 44 HIS HA 1 63 LEU HB3 1.800 . 5.000 4.662 3.098 5.116 0.116 2 0 "[ . 1 . 2]" 1 656 1 44 HIS HA 1 63 LEU MD1 1.800 . 6.000 3.706 2.311 5.189 . 0 0 "[ . 1 . 2]" 1 657 1 44 HIS HA 1 63 LEU MD2 1.800 . 6.000 4.582 3.426 5.148 . 0 0 "[ . 1 . 2]" 1 658 1 44 HIS HA 1 63 LEU HG 1.800 . 6.000 4.847 2.820 6.003 0.003 14 0 "[ . 1 . 2]" 1 659 1 44 HIS HA 1 64 TRP H 1.800 . 5.000 4.597 4.058 5.026 0.026 11 0 "[ . 1 . 2]" 1 660 1 44 HIS HA 1 64 TRP HD1 1.800 . 6.000 6.017 5.621 6.146 0.146 5 0 "[ . 1 . 2]" 1 661 1 44 HIS QB 1 61 ASN H 1.800 . 5.000 4.448 3.920 5.037 0.037 8 0 "[ . 1 . 2]" 1 662 1 44 HIS QB 1 61 ASN QD 1.800 . 5.000 2.411 1.781 4.094 0.019 5 0 "[ . 1 . 2]" 1 663 1 44 HIS HB2 1 45 SER H 1.800 . 5.000 3.281 2.168 3.986 . 0 0 "[ . 1 . 2]" 1 664 1 44 HIS HB3 1 45 SER H 1.800 . 5.000 2.386 2.015 3.024 . 0 0 "[ . 1 . 2]" 1 665 1 44 HIS HD2 1 61 ASN QB 1.800 . 6.000 5.695 4.922 6.039 0.039 9 0 "[ . 1 . 2]" 1 666 1 44 HIS HD2 1 61 ASN HD21 1.800 . 3.500 3.486 3.128 3.615 0.115 17 0 "[ . 1 . 2]" 1 667 1 44 HIS HD2 1 61 ASN HD22 1.800 . 3.500 2.938 2.234 3.303 . 0 0 "[ . 1 . 2]" 1 668 1 44 HIS HD2 1 63 LEU H 1.800 . 6.000 5.238 4.130 6.006 0.006 19 0 "[ . 1 . 2]" 1 669 1 44 HIS HD2 1 63 LEU HA 1.800 . 6.000 4.651 3.990 5.376 . 0 0 "[ . 1 . 2]" 1 670 1 44 HIS HD2 1 63 LEU QB 1.800 . 6.000 3.885 3.046 4.728 . 0 0 "[ . 1 . 2]" 1 671 1 44 HIS HD2 1 63 LEU MD1 1.800 . 5.000 4.137 3.357 5.090 0.090 15 0 "[ . 1 . 2]" 1 672 1 44 HIS HD2 1 63 LEU MD2 1.800 . 5.000 4.829 3.391 5.094 0.094 8 0 "[ . 1 . 2]" 1 673 1 45 SER H 1 45 SER HB2 1.800 . 3.500 3.515 3.052 3.691 0.191 18 0 "[ . 1 . 2]" 1 674 1 45 SER H 1 61 ASN HA 1.800 . 5.000 3.222 2.590 3.819 . 0 0 "[ . 1 . 2]" 1 675 1 45 SER H 1 62 VAL H 1.800 . 5.000 2.962 2.538 3.696 . 0 0 "[ . 1 . 2]" 1 676 1 45 SER H 1 62 VAL MG1 1.800 . 5.000 3.533 3.204 4.972 . 0 0 "[ . 1 . 2]" 1 677 1 45 SER H 1 62 VAL MG2 1.800 . 5.000 4.954 3.594 5.169 0.169 14 0 "[ . 1 . 2]" 1 678 1 45 SER H 1 64 TRP HD1 1.800 . 5.000 4.816 4.431 5.083 0.083 11 0 "[ . 1 . 2]" 1 679 1 45 SER HA 1 64 TRP HD1 1.800 . 5.000 2.215 2.173 2.253 . 0 0 "[ . 1 . 2]" 1 680 1 45 SER HA 1 64 TRP HE1 1.800 . 5.000 3.355 2.824 3.869 . 0 0 "[ . 1 . 2]" 1 681 1 45 SER QB 1 62 VAL MG2 1.800 . 5.000 4.085 2.225 4.551 . 0 0 "[ . 1 . 2]" 1 682 1 45 SER HB2 1 46 GLY H 1.800 . 5.000 2.745 2.295 3.570 . 0 0 "[ . 1 . 2]" 1 683 1 45 SER HB2 1 64 TRP HE1 1.800 . 5.000 2.334 1.783 3.512 0.017 12 0 "[ . 1 . 2]" 1 684 1 45 SER HB2 1 64 TRP HZ2 1.800 . 5.000 4.475 4.113 5.043 0.043 7 0 "[ . 1 . 2]" 1 685 1 45 SER HB3 1 46 GLY H 1.800 . 5.000 3.753 3.151 4.025 . 0 0 "[ . 1 . 2]" 1 686 1 45 SER HB3 1 62 VAL MG1 1.800 . 5.000 2.300 2.019 4.021 . 0 0 "[ . 1 . 2]" 1 687 1 45 SER HB3 1 62 VAL MG2 1.800 . 5.000 4.224 2.250 4.771 . 0 0 "[ . 1 . 2]" 1 688 1 45 SER HB3 1 64 TRP HE1 1.800 . 5.000 3.048 2.385 3.604 . 0 0 "[ . 1 . 2]" 1 689 1 45 SER HB3 1 64 TRP HZ2 1.800 . 5.000 4.762 3.707 5.099 0.099 2 0 "[ . 1 . 2]" 1 690 1 46 GLY H 1 53 TYR QE 1.800 . 5.000 4.339 3.839 4.732 . 0 0 "[ . 1 . 2]" 1 691 1 46 GLY H 1 64 TRP HE1 1.800 . 5.000 2.884 2.057 3.320 . 0 0 "[ . 1 . 2]" 1 692 1 46 GLY H 1 64 TRP HZ2 1.800 . 6.000 5.656 4.821 6.080 0.080 20 0 "[ . 1 . 2]" 1 693 1 46 GLY QA 1 47 GLN QG 1.800 . 5.000 3.983 3.428 5.016 0.016 20 0 "[ . 1 . 2]" 1 694 1 46 GLY QA 1 48 ALA H 1.800 . 5.000 3.550 3.259 4.480 . 0 0 "[ . 1 . 2]" 1 695 1 46 GLY QA 1 53 TYR QE 1.800 . 5.000 2.857 2.754 3.093 . 0 0 "[ . 1 . 2]" 1 696 1 46 GLY QA 1 58 ILE H 1.800 . 5.000 4.740 3.720 5.090 0.090 9 0 "[ . 1 . 2]" 1 697 1 46 GLY HA2 1 47 GLN QE 1.800 . 3.500 3.369 2.764 3.648 0.148 9 0 "[ . 1 . 2]" 1 698 1 46 GLY HA2 1 57 ASN HD21 1.800 . 3.500 2.803 2.307 3.521 0.021 3 0 "[ . 1 . 2]" 1 699 1 46 GLY HA2 1 57 ASN HD22 1.800 . 3.500 2.994 2.044 3.423 . 0 0 "[ . 1 . 2]" 1 700 1 46 GLY HA3 1 47 GLN QE 1.800 . 3.500 3.306 2.204 3.583 0.083 3 0 "[ . 1 . 2]" 1 701 1 46 GLY HA3 1 57 ASN HD21 1.800 . 3.500 2.762 1.832 3.592 0.092 3 0 "[ . 1 . 2]" 1 702 1 46 GLY HA3 1 57 ASN HD22 1.800 . 3.500 3.200 2.096 3.585 0.085 10 0 "[ . 1 . 2]" 1 703 1 47 GLN H 1 47 GLN HB2 1.800 . 3.500 2.911 2.683 3.785 0.285 17 0 "[ . 1 . 2]" 1 704 1 47 GLN H 1 48 ALA H 1.800 . 5.000 2.115 1.765 3.364 0.035 16 0 "[ . 1 . 2]" 1 705 1 47 GLN H 1 51 TYR QE 1.800 . 6.000 6.116 6.031 6.161 0.161 6 0 "[ . 1 . 2]" 1 706 1 47 GLN QB 1 47 GLN QG 1.800 . 3.500 2.037 1.969 2.056 . 0 0 "[ . 1 . 2]" 1 707 1 47 GLN QG 1 48 ALA H 1.800 . 5.000 4.545 4.329 5.009 0.009 17 0 "[ . 1 . 2]" 1 708 1 48 ALA H 1 48 ALA HA 1.800 . 2.900 2.872 2.731 2.984 0.084 8 0 "[ . 1 . 2]" 1 709 1 48 ALA H 1 48 ALA MB 1.800 . 2.900 2.248 2.158 2.396 . 0 0 "[ . 1 . 2]" 1 710 1 48 ALA H 1 53 TYR HE1 1.800 . 6.000 1.847 1.758 2.215 0.042 3 0 "[ . 1 . 2]" 1 711 1 48 ALA H 1 53 TYR HE2 1.800 . 6.000 5.419 4.272 6.049 0.049 8 0 "[ . 1 . 2]" 1 712 1 48 ALA H 1 53 TYR HH 1.800 . 5.000 3.245 2.121 4.444 . 0 0 "[ . 1 . 2]" 1 713 1 48 ALA MB 1 49 GLU H 1.800 . 3.500 3.097 2.580 3.506 0.006 11 0 "[ . 1 . 2]" 1 714 1 48 ALA MB 1 51 TYR H 1.800 . 2.900 2.577 2.269 2.783 . 0 0 "[ . 1 . 2]" 1 715 1 48 ALA MB 1 51 TYR HD2 1.800 . 5.000 3.442 2.185 5.218 0.218 20 0 "[ . 1 . 2]" 1 716 1 48 ALA MB 1 53 TYR H 1.800 . 5.000 4.983 4.692 5.062 0.062 11 0 "[ . 1 . 2]" 1 717 1 48 ALA MB 1 53 TYR HD1 1.800 . 5.000 3.791 3.491 4.122 . 0 0 "[ . 1 . 2]" 1 718 1 48 ALA MB 1 53 TYR HE1 1.800 . 5.000 2.107 2.011 2.508 . 0 0 "[ . 1 . 2]" 1 719 1 48 ALA MB 1 53 TYR HE2 1.800 . 5.000 4.551 3.772 5.029 0.029 13 0 "[ . 1 . 2]" 1 720 1 48 ALA MB 1 53 TYR HH 1.800 . 3.500 2.449 1.796 3.428 0.004 4 0 "[ . 1 . 2]" 1 721 1 49 GLU H 1 49 GLU HA 1.800 . 2.900 2.887 2.829 2.953 0.053 3 0 "[ . 1 . 2]" 1 722 1 49 GLU H 1 49 GLU QG 1.800 . 2.900 2.265 2.082 2.928 0.028 13 0 "[ . 1 . 2]" 1 723 1 49 GLU HA 1 49 GLU QG 1.800 . 5.000 2.364 2.281 2.848 . 0 0 "[ . 1 . 2]" 1 724 1 49 GLU HA 1 51 TYR H 1.800 . 6.000 5.202 4.334 5.753 . 0 0 "[ . 1 . 2]" 1 725 1 49 GLU HB2 1 50 GLY H 1.800 . 5.000 2.593 2.171 2.780 . 0 0 "[ . 1 . 2]" 1 726 1 49 GLU HB3 1 50 GLY H 1.800 . 5.000 3.609 3.231 3.764 . 0 0 "[ . 1 . 2]" 1 727 1 49 GLU QG 1 50 GLY H 1.800 . 5.000 4.061 3.905 4.422 . 0 0 "[ . 1 . 2]" 1 728 1 51 TYR H 1 51 TYR QB 1.800 . 3.500 2.290 2.236 2.355 . 0 0 "[ . 1 . 2]" 1 729 1 51 TYR HA 1 51 TYR QD 1.800 . 5.000 2.903 2.800 3.052 . 0 0 "[ . 1 . 2]" 1 730 1 51 TYR HA 1 52 SER H 1.800 . 5.000 2.274 2.197 2.324 . 0 0 "[ . 1 . 2]" 1 731 1 51 TYR QD 1 52 SER H 1.800 . 5.000 3.215 3.046 3.666 . 0 0 "[ . 1 . 2]" 1 732 1 51 TYR QD 1 53 TYR QD 1.800 . 5.000 3.514 3.220 3.933 . 0 0 "[ . 1 . 2]" 1 733 1 51 TYR QD 1 53 TYR HE1 1.800 . 5.000 2.885 2.471 3.868 . 0 0 "[ . 1 . 2]" 1 734 1 51 TYR QD 1 53 TYR HE2 1.800 . 5.000 4.236 3.846 4.617 . 0 0 "[ . 1 . 2]" 1 735 1 52 SER HA 1 53 TYR H 1.800 . 3.500 2.300 2.255 2.350 . 0 0 "[ . 1 . 2]" 1 736 1 52 SER HB2 1 53 TYR H 1.800 . 5.000 3.444 2.725 4.187 . 0 0 "[ . 1 . 2]" 1 737 1 52 SER HB3 1 53 TYR H 1.800 . 5.000 3.600 2.811 4.125 . 0 0 "[ . 1 . 2]" 1 738 1 53 TYR H 1 53 TYR QD 1.800 . 5.000 2.164 1.871 2.437 . 0 0 "[ . 1 . 2]" 1 739 1 53 TYR H 1 54 THR H 1.800 . 5.000 4.565 4.547 4.576 . 0 0 "[ . 1 . 2]" 1 740 1 53 TYR QB 1 58 ILE MD 1.800 . 5.000 3.098 2.427 3.541 . 0 0 "[ . 1 . 2]" 1 741 1 53 TYR HB2 1 54 THR H 1.800 . 5.000 3.675 3.452 3.886 . 0 0 "[ . 1 . 2]" 1 742 1 53 TYR HB2 1 57 ASN H 1.800 . 5.000 4.908 4.530 5.088 0.088 13 0 "[ . 1 . 2]" 1 743 1 53 TYR HB3 1 54 THR H 1.800 . 5.000 2.586 2.438 2.787 . 0 0 "[ . 1 . 2]" 1 744 1 53 TYR HB3 1 57 ASN H 1.800 . 5.000 4.081 3.472 4.472 . 0 0 "[ . 1 . 2]" 1 745 1 53 TYR QD 1 54 THR H 1.800 . 5.000 3.972 3.724 4.224 . 0 0 "[ . 1 . 2]" 1 746 1 53 TYR QD 1 57 ASN H 1.800 . 6.000 5.426 4.448 6.049 0.049 20 0 "[ . 1 . 2]" 1 747 1 53 TYR QD 1 58 ILE MD 1.800 . 5.000 3.991 2.987 4.637 . 0 0 "[ . 1 . 2]" 1 748 1 53 TYR HD1 1 57 ASN QD 1.800 . 5.000 4.182 3.661 4.719 . 0 0 "[ . 1 . 2]" 1 749 1 53 TYR HD2 1 57 ASN HD21 1.800 . 5.000 2.992 1.949 3.873 . 0 0 "[ . 1 . 2]" 1 750 1 53 TYR HD2 1 57 ASN HD22 1.800 . 5.000 3.889 3.289 4.565 . 0 0 "[ . 1 . 2]" 1 751 1 53 TYR QE 2 1 HEC HAA1 1.800 . 6.000 3.909 3.317 4.266 . 0 0 "[ . 1 . 2]" 1 752 1 53 TYR HE2 1 57 ASN QD 1.800 . 5.000 3.752 2.830 4.589 . 0 0 "[ . 1 . 2]" 1 753 1 54 THR H 1 54 THR HG1 1.800 . 5.000 3.621 1.975 4.317 . 0 0 "[ . 1 . 2]" 1 754 1 54 THR H 1 54 THR MG 1.800 . 5.000 1.914 1.627 3.765 0.173 3 0 "[ . 1 . 2]" 1 755 1 54 THR H 1 55 ASP H 1.800 . 5.000 4.216 2.741 4.683 . 0 0 "[ . 1 . 2]" 1 756 1 54 THR H 1 56 ALA MB 1.800 . 5.000 4.715 4.174 5.026 0.026 11 0 "[ . 1 . 2]" 1 757 1 54 THR H 1 81 PRO QG 1.800 . 5.000 3.398 3.046 4.131 . 0 0 "[ . 1 . 2]" 1 758 1 54 THR HA 1 54 THR MG 1.800 . 5.000 2.742 2.277 3.169 . 0 0 "[ . 1 . 2]" 1 759 1 54 THR HA 1 56 ALA MB 1.800 . 5.000 4.998 4.850 5.047 0.047 8 0 "[ . 1 . 2]" 1 760 1 54 THR HG1 1 57 ASN H 1.800 . 5.000 3.487 1.794 5.006 0.006 20 0 "[ . 1 . 2]" 1 761 1 54 THR MG 1 55 ASP H 1.800 . 5.000 3.825 2.170 4.201 . 0 0 "[ . 1 . 2]" 1 762 1 54 THR MG 1 57 ASN H 1.800 . 3.500 3.581 3.287 3.690 0.190 3 0 "[ . 1 . 2]" 1 763 1 54 THR MG 1 83 THR H 1.800 . 5.000 3.995 3.397 5.021 0.021 13 0 "[ . 1 . 2]" 1 764 1 55 ASP H 1 55 ASP QB 1.800 . 3.500 2.642 2.427 3.385 . 0 0 "[ . 1 . 2]" 1 765 1 55 ASP H 1 56 ALA H 1.800 . 5.000 2.781 2.668 3.183 . 0 0 "[ . 1 . 2]" 1 766 1 55 ASP H 1 57 ASN H 1.800 . 5.000 4.558 3.540 4.961 . 0 0 "[ . 1 . 2]" 1 767 1 55 ASP HA 1 56 ALA H 1.800 . 3.500 3.501 3.344 3.532 0.032 11 0 "[ . 1 . 2]" 1 768 1 55 ASP HA 1 57 ASN H 1.800 . 5.000 4.509 4.015 4.762 . 0 0 "[ . 1 . 2]" 1 769 1 55 ASP HA 1 58 ILE H 1.800 . 5.000 3.305 2.946 3.535 . 0 0 "[ . 1 . 2]" 1 770 1 55 ASP HA 1 58 ILE HB 1.800 . 5.000 2.553 2.284 3.118 . 0 0 "[ . 1 . 2]" 1 771 1 55 ASP HA 1 59 LYS H 1.800 . 5.000 3.711 3.285 4.356 . 0 0 "[ . 1 . 2]" 1 772 1 55 ASP QB 1 56 ALA H 1.800 . 5.000 2.893 2.682 3.609 . 0 0 "[ . 1 . 2]" 1 773 1 56 ALA H 1 56 ALA MB 1.800 . 2.900 2.217 2.052 2.259 . 0 0 "[ . 1 . 2]" 1 774 1 56 ALA H 1 57 ASN H 1.800 . 5.000 2.938 2.674 3.190 . 0 0 "[ . 1 . 2]" 1 775 1 56 ALA H 1 58 ILE H 1.800 . 5.000 4.185 3.960 4.292 . 0 0 "[ . 1 . 2]" 1 776 1 56 ALA HA 1 57 ASN H 1.800 . 3.500 3.588 3.552 3.609 0.109 9 0 "[ . 1 . 2]" 1 777 1 56 ALA HA 1 58 ILE H 1.800 . 5.000 4.486 4.164 4.692 . 0 0 "[ . 1 . 2]" 1 778 1 56 ALA HA 1 59 LYS H 1.800 . 5.000 3.640 3.256 3.950 . 0 0 "[ . 1 . 2]" 1 779 1 56 ALA HA 1 59 LYS HB2 1.800 . 5.000 2.898 2.730 3.344 . 0 0 "[ . 1 . 2]" 1 780 1 56 ALA HA 1 59 LYS HB3 1.800 . 5.000 4.522 4.337 4.997 . 0 0 "[ . 1 . 2]" 1 781 1 56 ALA HA 1 60 LYS H 1.800 . 5.000 4.155 3.578 4.411 . 0 0 "[ . 1 . 2]" 1 782 1 56 ALA MB 1 57 ASN H 1.800 . 3.500 2.355 2.115 2.613 . 0 0 "[ . 1 . 2]" 1 783 1 56 ALA MB 1 80 ILE MG 1.800 . 5.000 4.549 3.934 5.043 0.043 12 0 "[ . 1 . 2]" 1 784 1 56 ALA MB 1 82 GLY HA2 1.800 . 6.000 5.870 5.558 6.175 0.175 3 0 "[ . 1 . 2]" 1 785 1 56 ALA MB 1 82 GLY HA3 1.800 . 6.000 5.755 5.484 6.000 0.000 20 0 "[ . 1 . 2]" 1 786 1 56 ALA MB 1 83 THR H 1.800 . 5.000 5.055 4.974 5.178 0.178 10 0 "[ . 1 . 2]" 1 787 1 56 ALA MB 1 83 THR HB 1.800 . 6.000 5.744 5.555 6.091 0.091 10 0 "[ . 1 . 2]" 1 788 1 57 ASN H 1 58 ILE H 1.800 . 3.500 2.735 2.456 2.828 . 0 0 "[ . 1 . 2]" 1 789 1 57 ASN H 1 59 LYS H 1.800 . 5.000 4.386 4.274 4.535 . 0 0 "[ . 1 . 2]" 1 790 1 57 ASN HA 1 57 ASN HD21 1.800 . 6.000 4.426 4.230 4.577 . 0 0 "[ . 1 . 2]" 1 791 1 57 ASN HA 1 58 ILE H 1.800 . 3.500 3.554 3.540 3.566 0.066 5 0 "[ . 1 . 2]" 1 792 1 57 ASN HA 1 59 LYS H 1.800 . 5.000 4.755 4.575 5.033 0.033 5 0 "[ . 1 . 2]" 1 793 1 57 ASN HA 1 60 LYS H 1.800 . 5.000 3.838 3.449 4.107 . 0 0 "[ . 1 . 2]" 1 794 1 57 ASN HA 1 60 LYS HB2 1.800 . 5.000 3.436 3.028 3.705 . 0 0 "[ . 1 . 2]" 1 795 1 57 ASN HA 1 60 LYS QB 1.800 . 5.000 3.229 2.598 3.508 . 0 0 "[ . 1 . 2]" 1 796 1 57 ASN HA 1 60 LYS HB3 1.800 . 5.000 4.351 2.828 5.025 0.025 17 0 "[ . 1 . 2]" 1 797 1 57 ASN HA 1 64 TRP HE1 1.800 . 5.000 5.139 5.069 5.230 0.230 9 0 "[ . 1 . 2]" 1 798 1 57 ASN HA 1 80 ILE MD 1.800 . 6.000 6.062 5.956 6.139 0.139 5 0 "[ . 1 . 2]" 1 799 1 57 ASN HA 1 80 ILE MG 1.800 . 3.500 3.306 3.096 3.514 0.014 12 0 "[ . 1 . 2]" 1 800 1 57 ASN QB 1 80 ILE MG 1.800 . 3.500 3.545 2.986 3.629 0.129 1 0 "[ . 1 . 2]" 1 801 1 57 ASN HB2 1 58 ILE H 1.800 . 5.000 3.816 3.710 3.925 . 0 0 "[ . 1 . 2]" 1 802 1 57 ASN HB3 1 58 ILE H 1.800 . 5.000 2.697 2.462 3.899 . 0 0 "[ . 1 . 2]" 1 803 1 57 ASN QD 1 64 TRP HD1 1.800 . 3.500 3.476 3.298 3.596 0.096 19 0 "[ . 1 . 2]" 1 804 1 57 ASN HD21 1 64 TRP HE1 1.800 . 3.500 3.388 2.027 3.646 0.146 20 0 "[ . 1 . 2]" 1 805 1 57 ASN HD22 1 64 TRP HE1 1.800 . 3.500 2.132 1.778 3.654 0.154 12 0 "[ . 1 . 2]" 1 806 1 58 ILE H 1 58 ILE HB 1.800 . 3.500 2.536 2.511 2.631 . 0 0 "[ . 1 . 2]" 1 807 1 58 ILE H 1 58 ILE MD 1.800 . 3.500 3.419 2.662 3.526 0.026 12 0 "[ . 1 . 2]" 1 808 1 58 ILE H 1 58 ILE QG 1.800 . 5.000 2.047 2.007 2.091 . 0 0 "[ . 1 . 2]" 1 809 1 58 ILE H 1 58 ILE MG 1.800 . 5.000 3.771 3.767 3.780 . 0 0 "[ . 1 . 2]" 1 810 1 58 ILE H 1 59 LYS H 1.800 . 3.500 2.747 2.661 2.821 . 0 0 "[ . 1 . 2]" 1 811 1 58 ILE H 1 60 LYS H 1.800 . 5.000 4.209 3.988 4.294 . 0 0 "[ . 1 . 2]" 1 812 1 58 ILE HA 1 58 ILE MD 1.800 . 5.000 3.640 2.019 3.825 . 0 0 "[ . 1 . 2]" 1 813 1 58 ILE HA 1 58 ILE MG 1.800 . 3.500 2.299 2.251 2.344 . 0 0 "[ . 1 . 2]" 1 814 1 58 ILE HA 1 59 LYS H 1.800 . 5.000 3.585 3.570 3.597 . 0 0 "[ . 1 . 2]" 1 815 1 58 ILE HA 1 60 LYS H 1.800 . 5.000 4.368 4.226 4.671 . 0 0 "[ . 1 . 2]" 1 816 1 58 ILE HB 1 58 ILE MD 1.800 . 3.500 2.366 2.234 3.197 . 0 0 "[ . 1 . 2]" 1 817 1 58 ILE HB 1 59 LYS H 1.800 . 5.000 2.488 2.320 2.613 . 0 0 "[ . 1 . 2]" 1 818 1 58 ILE MD 1 58 ILE QG 1.800 . 5.000 1.890 1.877 1.916 . 0 0 "[ . 1 . 2]" 1 819 1 58 ILE MD 1 59 LYS H 1.800 . 5.000 4.388 4.262 4.479 . 0 0 "[ . 1 . 2]" 1 820 1 58 ILE QG 1 58 ILE MG 1.800 . 5.000 2.250 2.165 2.299 . 0 0 "[ . 1 . 2]" 1 821 1 58 ILE MG 1 59 LYS H 1.800 . 5.000 3.418 3.270 3.629 . 0 0 "[ . 1 . 2]" 1 822 1 58 ILE MG 1 61 ASN H 1.800 . 6.000 4.326 4.129 4.516 . 0 0 "[ . 1 . 2]" 1 823 1 59 LYS H 1 59 LYS HA 1.800 . 2.900 2.828 2.821 2.839 . 0 0 "[ . 1 . 2]" 1 824 1 59 LYS H 1 59 LYS HB2 1.800 . 3.500 2.448 2.417 2.492 . 0 0 "[ . 1 . 2]" 1 825 1 59 LYS H 1 59 LYS HB3 1.800 . 3.500 3.604 3.601 3.607 0.107 19 0 "[ . 1 . 2]" 1 826 1 59 LYS H 1 59 LYS QD 1.800 . 5.000 3.848 3.705 3.897 . 0 0 "[ . 1 . 2]" 1 827 1 59 LYS H 1 59 LYS HG2 1.800 . 3.500 3.405 3.302 3.479 . 0 0 "[ . 1 . 2]" 1 828 1 59 LYS H 1 59 LYS HG3 1.800 . 3.500 2.238 2.138 2.307 . 0 0 "[ . 1 . 2]" 1 829 1 59 LYS H 1 60 LYS H 1.800 . 3.500 2.788 2.709 2.835 . 0 0 "[ . 1 . 2]" 1 830 1 59 LYS H 1 61 ASN H 1.800 . 5.000 4.223 4.080 4.359 . 0 0 "[ . 1 . 2]" 1 831 1 59 LYS HA 1 59 LYS HG2 1.800 . 3.500 2.378 2.339 2.429 . 0 0 "[ . 1 . 2]" 1 832 1 59 LYS HA 1 59 LYS QG 1.800 . 3.500 2.290 2.259 2.318 . 0 0 "[ . 1 . 2]" 1 833 1 59 LYS HA 1 59 LYS HG3 1.800 . 3.500 2.991 2.930 3.040 . 0 0 "[ . 1 . 2]" 1 834 1 59 LYS HA 1 60 LYS H 1.800 . 3.500 3.547 3.523 3.569 0.069 8 0 "[ . 1 . 2]" 1 835 1 59 LYS HB2 1 60 LYS H 1.800 . 5.000 2.713 2.548 2.841 . 0 0 "[ . 1 . 2]" 1 836 1 59 LYS HB3 1 60 LYS H 1.800 . 5.000 3.628 3.482 3.748 . 0 0 "[ . 1 . 2]" 1 837 1 59 LYS QD 1 60 LYS H 1.800 . 6.000 4.839 4.746 4.973 . 0 0 "[ . 1 . 2]" 1 838 1 59 LYS HG2 1 60 LYS H 1.800 . 5.000 5.008 4.952 5.039 0.039 9 0 "[ . 1 . 2]" 1 839 1 59 LYS HG3 1 60 LYS H 1.800 . 5.000 4.428 4.320 4.508 . 0 0 "[ . 1 . 2]" 1 840 1 60 LYS H 1 60 LYS HA 1.800 . 2.900 2.845 2.830 2.857 . 0 0 "[ . 1 . 2]" 1 841 1 60 LYS H 1 60 LYS QD 1.800 . 5.000 3.686 3.221 4.137 . 0 0 "[ . 1 . 2]" 1 842 1 60 LYS H 1 60 LYS HG2 1.800 . 6.000 3.162 1.949 4.690 . 0 0 "[ . 1 . 2]" 1 843 1 60 LYS H 1 60 LYS HG3 1.800 . 6.000 3.636 2.166 4.487 . 0 0 "[ . 1 . 2]" 1 844 1 60 LYS H 1 61 ASN H 1.800 . 3.500 2.694 2.662 2.736 . 0 0 "[ . 1 . 2]" 1 845 1 60 LYS H 1 61 ASN HA 1.800 . 5.000 5.031 5.002 5.074 0.074 5 0 "[ . 1 . 2]" 1 846 1 60 LYS H 1 62 VAL MG1 1.800 . 6.000 4.867 4.389 5.958 . 0 0 "[ . 1 . 2]" 1 847 1 60 LYS HA 1 61 ASN H 1.800 . 5.000 3.527 3.509 3.544 . 0 0 "[ . 1 . 2]" 1 848 1 60 LYS QB 1 62 VAL QG 1.800 . 5.000 2.513 2.112 3.319 . 0 0 "[ . 1 . 2]" 1 849 1 60 LYS HB2 1 61 ASN H 1.800 . 5.000 3.185 2.727 3.955 . 0 0 "[ . 1 . 2]" 1 850 1 60 LYS HB2 1 79 TYR QE 1.800 . 6.000 4.841 3.868 5.929 . 0 0 "[ . 1 . 2]" 1 851 1 60 LYS HB2 1 80 ILE MG 1.800 . 5.000 4.566 4.268 4.837 . 0 0 "[ . 1 . 2]" 1 852 1 60 LYS HB3 1 61 ASN H 1.800 . 5.000 3.449 2.678 3.896 . 0 0 "[ . 1 . 2]" 1 853 1 60 LYS HB3 1 79 TYR QE 1.800 . 6.000 4.289 3.043 5.568 . 0 0 "[ . 1 . 2]" 1 854 1 60 LYS HB3 1 80 ILE MG 1.800 . 5.000 4.834 4.249 5.027 0.027 9 0 "[ . 1 . 2]" 1 855 1 61 ASN H 1 62 VAL QG 1.800 . 5.000 3.869 3.452 4.590 . 0 0 "[ . 1 . 2]" 1 856 1 61 ASN HA 1 61 ASN QD 1.800 . 5.000 2.383 1.812 3.546 . 0 0 "[ . 1 . 2]" 1 857 1 61 ASN HA 1 62 VAL H 1.800 . 5.000 2.737 2.663 2.852 . 0 0 "[ . 1 . 2]" 1 858 1 61 ASN QD 1 63 LEU QD 1.800 . 5.000 4.921 3.956 5.114 0.114 1 0 "[ . 1 . 2]" 1 859 1 62 VAL H 1 62 VAL HA 1.800 . 2.900 2.967 2.887 2.989 0.089 15 0 "[ . 1 . 2]" 1 860 1 62 VAL H 1 62 VAL MG1 1.800 . 5.000 1.988 1.762 2.588 0.038 14 0 "[ . 1 . 2]" 1 861 1 62 VAL H 1 62 VAL MG2 1.800 . 5.000 3.740 2.194 3.883 . 0 0 "[ . 1 . 2]" 1 862 1 62 VAL H 1 63 LEU H 1.800 . 5.000 4.214 2.484 4.624 . 0 0 "[ . 1 . 2]" 1 863 1 62 VAL HA 1 62 VAL MG1 1.800 . 5.000 3.149 2.448 3.210 . 0 0 "[ . 1 . 2]" 1 864 1 62 VAL HA 1 62 VAL MG2 1.800 . 5.000 2.359 2.151 3.177 . 0 0 "[ . 1 . 2]" 1 865 1 62 VAL HA 1 63 LEU H 1.800 . 5.000 2.445 2.232 3.510 . 0 0 "[ . 1 . 2]" 1 866 1 62 VAL HB 1 63 LEU H 1.800 . 5.000 4.151 4.006 4.420 . 0 0 "[ . 1 . 2]" 1 867 1 62 VAL QG 1 63 LEU HG 1.800 . 6.000 4.729 2.982 5.493 . 0 0 "[ . 1 . 2]" 1 868 1 62 VAL QG 1 80 ILE MG 1.800 . 5.000 3.421 2.737 3.999 . 0 0 "[ . 1 . 2]" 1 869 1 62 VAL MG1 1 63 LEU H 1.800 . 5.000 3.526 1.959 3.872 . 0 0 "[ . 1 . 2]" 1 870 1 62 VAL MG1 1 64 TRP HE1 1.800 . 6.000 4.030 3.570 5.420 . 0 0 "[ . 1 . 2]" 1 871 1 62 VAL MG1 1 64 TRP HE3 1.800 . 6.000 5.063 4.464 6.008 0.008 3 0 "[ . 1 . 2]" 1 872 1 62 VAL MG1 1 64 TRP HH2 1.800 . 6.000 4.886 4.379 5.297 . 0 0 "[ . 1 . 2]" 1 873 1 62 VAL MG1 1 64 TRP HZ3 1.800 . 6.000 5.306 4.768 5.770 . 0 0 "[ . 1 . 2]" 1 874 1 62 VAL MG1 1 68 ASN HD21 1.800 . 5.000 4.681 4.072 5.079 0.079 3 0 "[ . 1 . 2]" 1 875 1 62 VAL MG1 1 68 ASN HD22 1.800 . 5.000 4.992 4.297 5.086 0.086 10 0 "[ . 1 . 2]" 1 876 1 62 VAL MG1 1 79 TYR QD 1.800 . 6.000 4.334 2.231 5.288 . 0 0 "[ . 1 . 2]" 1 877 1 62 VAL MG1 1 79 TYR QE 1.800 . 5.000 2.788 2.218 3.833 . 0 0 "[ . 1 . 2]" 1 878 1 62 VAL MG2 1 63 LEU H 1.800 . 6.000 2.230 1.877 3.531 . 0 0 "[ . 1 . 2]" 1 879 1 62 VAL MG2 1 64 TRP H 1.800 . 6.000 4.568 3.125 5.306 . 0 0 "[ . 1 . 2]" 1 880 1 62 VAL MG2 1 64 TRP HE1 1.800 . 6.000 5.751 3.907 6.047 0.047 10 0 "[ . 1 . 2]" 1 881 1 62 VAL MG2 1 64 TRP HE3 1.800 . 6.000 5.112 3.809 5.566 . 0 0 "[ . 1 . 2]" 1 882 1 62 VAL MG2 1 64 TRP HH2 1.800 . 6.000 5.775 4.294 6.035 0.035 16 0 "[ . 1 . 2]" 1 883 1 62 VAL MG2 1 64 TRP HZ3 1.800 . 6.000 5.500 4.300 5.829 . 0 0 "[ . 1 . 2]" 1 884 1 62 VAL MG2 1 68 ASN HD21 1.800 . 5.000 3.564 2.611 4.631 . 0 0 "[ . 1 . 2]" 1 885 1 62 VAL MG2 1 68 ASN HD22 1.800 . 5.000 3.320 2.520 4.420 . 0 0 "[ . 1 . 2]" 1 886 1 62 VAL MG2 1 79 TYR QD 1.800 . 6.000 4.897 3.129 6.027 0.027 6 0 "[ . 1 . 2]" 1 887 1 62 VAL MG2 1 79 TYR QE 1.800 . 5.000 3.275 2.244 4.260 . 0 0 "[ . 1 . 2]" 1 888 1 63 LEU H 1 63 LEU QD 1.800 . 6.000 3.482 1.679 3.960 0.121 16 0 "[ . 1 . 2]" 1 889 1 63 LEU H 1 68 ASN QD 1.800 . 6.000 4.119 3.633 4.924 . 0 0 "[ . 1 . 2]" 1 890 1 63 LEU HA 1 63 LEU MD1 1.800 . 5.000 2.766 2.045 4.110 . 0 0 "[ . 1 . 2]" 1 891 1 63 LEU HA 1 63 LEU MD2 1.800 . 5.000 3.402 2.175 4.029 . 0 0 "[ . 1 . 2]" 1 892 1 63 LEU HA 1 64 TRP H 1.800 . 3.500 2.215 2.179 2.309 . 0 0 "[ . 1 . 2]" 1 893 1 63 LEU QB 1 64 TRP H 1.800 . 5.000 3.693 3.026 4.027 . 0 0 "[ . 1 . 2]" 1 894 1 63 LEU HB2 1 63 LEU MD1 1.800 . 5.000 2.310 2.207 2.490 . 0 0 "[ . 1 . 2]" 1 895 1 63 LEU HB2 1 63 LEU MD2 1.800 . 5.000 2.619 2.234 3.206 . 0 0 "[ . 1 . 2]" 1 896 1 63 LEU HB2 1 68 ASN QD 1.800 . 5.000 4.811 3.887 5.077 0.077 7 0 "[ . 1 . 2]" 1 897 1 63 LEU HB3 1 63 LEU MD1 1.800 . 5.000 2.888 2.201 3.196 . 0 0 "[ . 1 . 2]" 1 898 1 63 LEU HB3 1 63 LEU MD2 1.800 . 5.000 2.347 2.160 2.471 . 0 0 "[ . 1 . 2]" 1 899 1 63 LEU HB3 1 68 ASN QD 1.800 . 5.000 3.751 3.064 5.161 0.161 6 0 "[ . 1 . 2]" 1 900 1 63 LEU QD 1 66 GLU H 1.800 . 6.000 5.892 5.325 6.094 0.094 6 0 "[ . 1 . 2]" 1 901 1 63 LEU MD1 1 64 TRP H 1.800 . 5.000 3.127 1.846 5.104 0.104 3 0 "[ . 1 . 2]" 1 902 1 63 LEU MD1 1 68 ASN HD21 1.800 . 5.000 4.908 3.228 5.075 0.075 1 0 "[ . 1 . 2]" 1 903 1 63 LEU MD2 1 64 TRP H 1.800 . 5.000 3.925 1.816 5.058 0.058 14 0 "[ . 1 . 2]" 1 904 1 63 LEU MD2 1 68 ASN HD22 1.800 . 5.000 4.480 2.583 5.007 0.007 9 0 "[ . 1 . 2]" 1 905 1 63 LEU HG 1 64 TRP H 1.800 . 6.000 3.507 2.840 5.173 . 0 0 "[ . 1 . 2]" 1 906 1 64 TRP H 1 65 ASP H 1.800 . 6.000 4.587 4.534 4.624 . 0 0 "[ . 1 . 2]" 1 907 1 64 TRP HA 1 69 MET ME 1.800 . 5.000 3.898 3.565 4.733 . 0 0 "[ . 1 . 2]" 1 908 1 64 TRP HB2 1 64 TRP HD1 1.800 . 3.500 2.525 2.512 2.541 . 0 0 "[ . 1 . 2]" 1 909 1 64 TRP HB2 1 65 ASP H 1.800 . 5.000 4.289 4.164 4.374 . 0 0 "[ . 1 . 2]" 1 910 1 64 TRP HB3 1 64 TRP HD1 1.800 . 3.500 3.641 3.589 3.683 0.183 11 0 "[ . 1 . 2]" 1 911 1 64 TRP HB3 1 65 ASP H 1.800 . 5.000 3.246 2.980 3.437 . 0 0 "[ . 1 . 2]" 1 912 1 64 TRP HD1 1 69 MET ME 1.800 . 5.000 4.620 4.385 4.941 . 0 0 "[ . 1 . 2]" 1 913 1 64 TRP HE1 1 81 PRO QG 1.800 . 6.000 5.946 4.714 6.104 0.104 17 0 "[ . 1 . 2]" 1 914 1 64 TRP HE3 1 65 ASP H 1.800 . 5.000 2.902 2.546 3.045 . 0 0 "[ . 1 . 2]" 1 915 1 64 TRP HE3 1 69 MET H 1.800 . 6.000 3.923 3.752 4.147 . 0 0 "[ . 1 . 2]" 1 916 1 64 TRP HE3 1 69 MET HB2 1.800 . 6.000 5.395 5.004 5.615 . 0 0 "[ . 1 . 2]" 1 917 1 64 TRP HE3 1 69 MET HB3 1.800 . 6.000 5.688 5.295 6.030 0.030 20 0 "[ . 1 . 2]" 1 918 1 64 TRP HH2 1 69 MET ME 1.800 . 5.000 4.741 4.401 4.933 . 0 0 "[ . 1 . 2]" 1 919 1 64 TRP HH2 1 72 TYR HB2 1.800 . 6.000 3.230 2.702 3.671 . 0 0 "[ . 1 . 2]" 1 920 1 64 TRP HH2 1 72 TYR HB3 1.800 . 6.000 4.853 4.082 5.193 . 0 0 "[ . 1 . 2]" 1 921 1 64 TRP HH2 1 72 TYR QD 1.800 . 3.500 2.920 2.273 3.527 0.027 14 0 "[ . 1 . 2]" 1 922 1 64 TRP HH2 1 79 TYR QD 1.800 . 6.000 4.593 3.844 5.972 . 0 0 "[ . 1 . 2]" 1 923 1 64 TRP HH2 1 80 ILE MD 1.800 . 3.500 2.549 2.122 3.524 0.024 12 0 "[ . 1 . 2]" 1 924 1 64 TRP HZ2 1 69 MET ME 1.800 . 5.000 5.010 4.773 5.102 0.102 7 0 "[ . 1 . 2]" 1 925 1 64 TRP HZ3 1 65 ASP H 1.800 . 5.000 4.971 4.698 5.072 0.072 3 0 "[ . 1 . 2]" 1 926 1 64 TRP HZ3 1 69 MET H 1.800 . 5.000 4.521 4.304 4.797 . 0 0 "[ . 1 . 2]" 1 927 1 64 TRP HZ3 1 69 MET HB2 1.800 . 6.000 5.845 5.354 6.078 0.078 9 0 "[ . 1 . 2]" 1 928 1 64 TRP HZ3 1 69 MET HB3 1.800 . 6.000 5.675 5.000 6.054 0.054 16 0 "[ . 1 . 2]" 1 929 1 64 TRP HZ3 1 69 MET ME 1.800 . 5.000 3.656 3.280 3.918 . 0 0 "[ . 1 . 2]" 1 930 1 64 TRP HZ3 1 72 TYR H 1.800 . 6.000 4.025 3.681 4.375 . 0 0 "[ . 1 . 2]" 1 931 1 64 TRP HZ3 1 72 TYR HB2 1.800 . 5.000 2.350 2.248 2.788 . 0 0 "[ . 1 . 2]" 1 932 1 64 TRP HZ3 1 72 TYR HB3 1.800 . 5.000 3.685 2.901 4.256 . 0 0 "[ . 1 . 2]" 1 933 1 64 TRP HZ3 2 1 HEC HAA1 1.800 . 5.000 4.574 4.127 4.896 . 0 0 "[ . 1 . 2]" 1 934 1 65 ASP H 1 66 GLU H 1.800 . 5.000 4.414 4.377 4.443 . 0 0 "[ . 1 . 2]" 1 935 1 65 ASP H 1 68 ASN QD 1.800 . 5.000 2.036 1.832 2.239 . 0 0 "[ . 1 . 2]" 1 936 1 65 ASP H 1 68 ASN HD22 1.800 . 3.500 3.531 3.419 3.634 0.134 3 0 "[ . 1 . 2]" 1 937 1 65 ASP H 1 69 MET H 1.800 . 5.000 3.517 3.398 3.680 . 0 0 "[ . 1 . 2]" 1 938 1 65 ASP H 1 69 MET QB 1.800 . 5.000 5.080 4.873 5.170 0.170 9 0 "[ . 1 . 2]" 1 939 1 65 ASP H 1 69 MET ME 1.800 . 5.000 3.794 3.089 4.785 . 0 0 "[ . 1 . 2]" 1 940 1 65 ASP HB2 1 66 GLU H 1.800 . 3.500 3.288 2.095 3.724 0.224 20 0 "[ . 1 . 2]" 1 941 1 65 ASP HB3 1 66 GLU H 1.800 . 3.500 2.807 2.240 3.642 0.142 7 0 "[ . 1 . 2]" 1 942 1 66 GLU H 1 67 ASN H 1.800 . 5.000 2.708 2.657 2.785 . 0 0 "[ . 1 . 2]" 1 943 1 66 GLU H 1 68 ASN H 1.800 . 5.000 4.264 4.139 4.428 . 0 0 "[ . 1 . 2]" 1 944 1 66 GLU HA 1 67 ASN H 1.800 . 3.500 3.546 3.536 3.554 0.054 12 0 "[ . 1 . 2]" 1 945 1 66 GLU HA 1 68 ASN H 1.800 . 5.000 4.543 4.461 4.623 . 0 0 "[ . 1 . 2]" 1 946 1 66 GLU HA 1 69 MET H 1.800 . 5.000 3.480 3.374 3.701 . 0 0 "[ . 1 . 2]" 1 947 1 66 GLU HA 1 69 MET HB2 1.800 . 5.000 2.717 2.531 3.154 . 0 0 "[ . 1 . 2]" 1 948 1 66 GLU HA 1 69 MET HB3 1.800 . 5.000 4.249 4.015 4.693 . 0 0 "[ . 1 . 2]" 1 949 1 66 GLU HA 1 70 SER H 1.800 . 5.000 4.532 4.240 4.928 . 0 0 "[ . 1 . 2]" 1 950 1 66 GLU HA 1 100 ILE MG 1.800 . 5.000 3.076 2.485 4.116 . 0 0 "[ . 1 . 2]" 1 951 1 66 GLU HB2 1 67 ASN H 1.800 . 5.000 2.655 2.624 2.713 . 0 0 "[ . 1 . 2]" 1 952 1 66 GLU HB2 1 100 ILE MG 1.800 . 6.000 4.480 3.559 5.719 . 0 0 "[ . 1 . 2]" 1 953 1 66 GLU HB3 1 67 ASN H 1.800 . 5.000 3.685 3.659 3.735 . 0 0 "[ . 1 . 2]" 1 954 1 66 GLU HB3 1 100 ILE MG 1.800 . 5.000 3.107 2.130 4.345 . 0 0 "[ . 1 . 2]" 1 955 1 67 ASN H 1 67 ASN HB2 1.800 . 3.500 2.451 2.366 2.489 . 0 0 "[ . 1 . 2]" 1 956 1 67 ASN H 1 68 ASN H 1.800 . 5.000 2.662 2.606 2.719 . 0 0 "[ . 1 . 2]" 1 957 1 67 ASN H 1 69 MET H 1.800 . 5.000 4.050 3.967 4.139 . 0 0 "[ . 1 . 2]" 1 958 1 67 ASN HA 1 68 ASN H 1.800 . 3.500 3.553 3.547 3.558 0.058 8 0 "[ . 1 . 2]" 1 959 1 67 ASN HA 1 69 MET H 1.800 . 5.000 4.320 4.197 4.421 . 0 0 "[ . 1 . 2]" 1 960 1 67 ASN HA 1 70 SER H 1.800 . 5.000 3.479 3.385 3.580 . 0 0 "[ . 1 . 2]" 1 961 1 67 ASN HA 1 71 GLU H 1.800 . 5.000 4.762 4.589 4.879 . 0 0 "[ . 1 . 2]" 1 962 1 67 ASN HB2 1 68 ASN H 1.800 . 3.500 2.629 2.485 3.595 0.095 1 0 "[ . 1 . 2]" 1 963 1 67 ASN HB3 1 68 ASN H 1.800 . 3.500 3.430 2.369 3.566 0.066 20 0 "[ . 1 . 2]" 1 964 1 68 ASN H 1 69 MET H 1.800 . 3.500 2.684 2.630 2.754 . 0 0 "[ . 1 . 2]" 1 965 1 68 ASN H 1 70 SER H 1.800 . 6.000 4.234 4.144 4.341 . 0 0 "[ . 1 . 2]" 1 966 1 68 ASN HA 1 69 MET H 1.800 . 5.000 3.543 3.530 3.552 . 0 0 "[ . 1 . 2]" 1 967 1 68 ASN HA 1 70 SER H 1.800 . 5.000 4.256 4.174 4.316 . 0 0 "[ . 1 . 2]" 1 968 1 68 ASN HA 1 71 GLU H 1.800 . 5.000 3.407 3.198 3.573 . 0 0 "[ . 1 . 2]" 1 969 1 68 ASN HA 1 71 GLU HB2 1.800 . 5.000 3.056 2.804 3.863 . 0 0 "[ . 1 . 2]" 1 970 1 68 ASN HA 1 71 GLU HB3 1.800 . 5.000 4.395 3.033 4.797 . 0 0 "[ . 1 . 2]" 1 971 1 68 ASN HA 1 72 TYR H 1.800 . 5.000 4.318 4.158 4.602 . 0 0 "[ . 1 . 2]" 1 972 1 68 ASN QB 1 69 MET H 1.800 . 5.000 2.594 2.538 2.655 . 0 0 "[ . 1 . 2]" 1 973 1 69 MET H 1 70 SER H 1.800 . 5.000 2.732 2.701 2.757 . 0 0 "[ . 1 . 2]" 1 974 1 69 MET H 1 71 GLU H 1.800 . 6.000 4.275 4.077 4.378 . 0 0 "[ . 1 . 2]" 1 975 1 69 MET QB 1 73 LEU MD1 1.800 . 5.000 3.605 3.281 4.024 . 0 0 "[ . 1 . 2]" 1 976 1 69 MET QB 1 73 LEU MD2 1.800 . 5.000 4.695 3.821 5.071 0.071 20 0 "[ . 1 . 2]" 1 977 1 69 MET QB 1 100 ILE MG 1.800 . 5.000 2.696 2.173 3.118 . 0 0 "[ . 1 . 2]" 1 978 1 69 MET HB2 1 70 SER H 1.800 . 5.000 2.751 2.670 3.092 . 0 0 "[ . 1 . 2]" 1 979 1 69 MET HB3 1 70 SER H 1.800 . 5.000 3.564 3.080 3.653 . 0 0 "[ . 1 . 2]" 1 980 1 69 MET ME 1 100 ILE MG 1.800 . 5.000 4.911 4.501 5.038 0.038 7 0 "[ . 1 . 2]" 1 981 1 69 MET ME 1 103 LEU MD1 1.800 . 5.000 3.860 2.912 5.083 0.083 8 0 "[ . 1 . 2]" 1 982 1 69 MET ME 1 103 LEU MD2 1.800 . 5.000 4.300 2.638 5.098 0.098 9 0 "[ . 1 . 2]" 1 983 1 69 MET ME 2 1 HEC HAA1 1.800 . 3.500 2.628 2.247 3.183 . 0 0 "[ . 1 . 2]" 1 984 1 69 MET ME 2 1 HEC HAA2 1.800 . 5.000 3.938 3.608 4.237 . 0 0 "[ . 1 . 2]" 1 985 1 69 MET ME 2 1 HEC HBA1 1.800 . 6.000 4.072 3.051 4.868 . 0 0 "[ . 1 . 2]" 1 986 1 69 MET ME 2 1 HEC HHB 1.800 . 5.000 4.754 4.397 5.014 0.014 11 0 "[ . 1 . 2]" 1 987 1 70 SER HA 1 71 GLU H 1.800 . 3.500 3.548 3.519 3.557 0.057 14 0 "[ . 1 . 2]" 1 988 1 70 SER HA 1 72 TYR H 1.800 . 5.000 4.284 4.227 4.357 . 0 0 "[ . 1 . 2]" 1 989 1 70 SER HA 1 73 LEU H 1.800 . 5.000 3.752 3.621 3.895 . 0 0 "[ . 1 . 2]" 1 990 1 71 GLU H 1 71 GLU HA 1.800 . 2.900 2.883 2.866 2.903 0.003 11 0 "[ . 1 . 2]" 1 991 1 71 GLU H 1 71 GLU HB2 1.800 . 3.500 2.453 2.424 2.578 . 0 0 "[ . 1 . 2]" 1 992 1 71 GLU H 1 71 GLU HB3 1.800 . 3.500 3.450 2.572 3.603 0.103 19 0 "[ . 1 . 2]" 1 993 1 71 GLU H 1 72 TYR H 1.800 . 3.500 2.541 2.464 2.641 . 0 0 "[ . 1 . 2]" 1 994 1 71 GLU HA 1 72 TYR H 1.800 . 3.500 3.518 3.503 3.541 0.041 6 0 "[ . 1 . 2]" 1 995 1 71 GLU HB2 1 72 TYR H 1.800 . 5.000 2.945 2.722 3.964 . 0 0 "[ . 1 . 2]" 1 996 1 71 GLU HB2 1 79 TYR QD 1.800 . 6.000 5.697 4.494 6.069 0.069 20 0 "[ . 1 . 2]" 1 997 1 71 GLU HB2 1 79 TYR QE 1.800 . 6.000 4.700 3.511 5.701 . 0 0 "[ . 1 . 2]" 1 998 1 71 GLU HB3 1 72 TYR H 1.800 . 5.000 3.613 2.653 3.834 . 0 0 "[ . 1 . 2]" 1 999 1 71 GLU HB3 1 79 TYR QD 1.800 . 6.000 5.204 4.177 5.971 . 0 0 "[ . 1 . 2]" 1 1000 1 71 GLU HB3 1 79 TYR QE 1.800 . 6.000 4.698 3.397 5.961 . 0 0 "[ . 1 . 2]" 1 1001 1 72 TYR H 1 72 TYR HA 1.800 . 2.900 2.839 2.809 2.864 . 0 0 "[ . 1 . 2]" 1 1002 1 72 TYR H 1 73 LEU H 1.800 . 3.500 2.834 2.786 2.872 . 0 0 "[ . 1 . 2]" 1 1003 1 72 TYR H 1 79 TYR QE 1.800 . 6.000 4.894 4.101 5.949 . 0 0 "[ . 1 . 2]" 1 1004 1 72 TYR HA 1 72 TYR QD 1.800 . 5.000 2.551 2.191 3.120 . 0 0 "[ . 1 . 2]" 1 1005 1 72 TYR HA 1 75 ASN H 1.800 . 6.000 3.780 3.513 4.371 . 0 0 "[ . 1 . 2]" 1 1006 1 72 TYR HA 1 76 HIS HD2 1.800 . 6.000 4.683 3.345 5.858 . 0 0 "[ . 1 . 2]" 1 1007 1 72 TYR HA 1 79 TYR QE 1.800 . 5.000 3.854 2.986 4.811 . 0 0 "[ . 1 . 2]" 1 1008 1 72 TYR QB 1 76 HIS HD2 1.800 . 6.000 5.773 5.235 6.039 0.039 8 0 "[ . 1 . 2]" 1 1009 1 72 TYR HB2 1 72 TYR QD 1.800 . 3.500 2.573 2.322 2.757 . 0 0 "[ . 1 . 2]" 1 1010 1 72 TYR HB2 1 73 LEU H 1.800 . 5.000 3.866 3.592 3.965 . 0 0 "[ . 1 . 2]" 1 1011 1 72 TYR HB3 1 72 TYR QD 1.800 . 3.500 2.345 2.286 2.560 . 0 0 "[ . 1 . 2]" 1 1012 1 72 TYR HB3 1 73 LEU H 1.800 . 5.000 2.477 2.149 2.609 . 0 0 "[ . 1 . 2]" 1 1013 1 72 TYR QD 1 76 HIS HB2 1.800 . 3.500 3.250 2.376 3.604 0.104 6 0 "[ . 1 . 2]" 1 1014 1 72 TYR QD 1 76 HIS HB3 1.800 . 3.500 2.604 2.250 3.037 . 0 0 "[ . 1 . 2]" 1 1015 1 72 TYR QE 1 76 HIS HB2 1.800 . 3.500 2.942 2.283 3.339 . 0 0 "[ . 1 . 2]" 1 1016 1 72 TYR QE 1 76 HIS HB3 1.800 . 3.500 3.330 2.278 3.601 0.101 16 0 "[ . 1 . 2]" 1 1017 1 73 LEU H 1 73 LEU HB2 1.800 . 3.500 2.355 2.205 2.518 . 0 0 "[ . 1 . 2]" 1 1018 1 73 LEU H 1 73 LEU HB3 1.800 . 3.500 3.575 3.527 3.598 0.098 9 0 "[ . 1 . 2]" 1 1019 1 73 LEU H 1 73 LEU MD1 1.800 . 5.000 2.910 1.848 3.610 . 0 0 "[ . 1 . 2]" 1 1020 1 73 LEU H 1 73 LEU MD2 1.800 . 5.000 3.528 3.164 3.849 . 0 0 "[ . 1 . 2]" 1 1021 1 73 LEU H 1 73 LEU HG 1.800 . 5.000 2.911 2.027 4.082 . 0 0 "[ . 1 . 2]" 1 1022 1 73 LEU H 1 74 THR H 1.800 . 3.500 2.622 2.528 2.759 . 0 0 "[ . 1 . 2]" 1 1023 1 73 LEU H 1 75 ASN H 1.800 . 5.000 4.098 3.942 4.750 . 0 0 "[ . 1 . 2]" 1 1024 1 73 LEU HA 1 73 LEU MD1 1.800 . 5.000 3.180 2.199 3.825 . 0 0 "[ . 1 . 2]" 1 1025 1 73 LEU HA 1 73 LEU MD2 1.800 . 5.000 2.748 2.063 3.779 . 0 0 "[ . 1 . 2]" 1 1026 1 73 LEU HA 1 74 THR H 1.800 . 3.500 3.550 3.528 3.559 0.059 17 0 "[ . 1 . 2]" 1 1027 1 73 LEU HA 1 75 ASN H 1.800 . 5.000 4.573 4.315 4.741 . 0 0 "[ . 1 . 2]" 1 1028 1 73 LEU HA 1 76 HIS HD2 1.800 . 6.000 4.361 3.300 6.043 0.043 13 0 "[ . 1 . 2]" 1 1029 1 73 LEU HB2 1 74 THR H 1.800 . 3.500 2.661 2.534 2.823 . 0 0 "[ . 1 . 2]" 1 1030 1 73 LEU HB3 1 74 THR H 1.800 . 3.500 3.511 3.306 3.630 0.130 14 0 "[ . 1 . 2]" 1 1031 1 73 LEU QD 1 76 HIS HD1 1.800 . 6.000 5.743 5.030 6.045 0.045 7 0 "[ . 1 . 2]" 1 1032 1 73 LEU QD 1 76 HIS HD2 1.800 . 6.000 5.144 4.510 5.979 . 0 0 "[ . 1 . 2]" 1 1033 1 73 LEU MD1 1 74 THR H 1.800 . 5.000 4.281 3.855 4.528 . 0 0 "[ . 1 . 2]" 1 1034 1 73 LEU MD1 1 85 MET ME 1.800 . 5.000 4.396 3.192 5.073 0.073 10 0 "[ . 1 . 2]" 1 1035 1 73 LEU MD1 1 87 PHE QD 1.800 . 5.000 4.963 4.710 5.087 0.087 9 0 "[ . 1 . 2]" 1 1036 1 73 LEU MD1 1 87 PHE QE 1.800 . 5.000 4.614 3.925 5.066 0.066 11 0 "[ . 1 . 2]" 1 1037 1 73 LEU MD2 1 74 THR H 1.800 . 5.000 4.629 4.533 4.722 . 0 0 "[ . 1 . 2]" 1 1038 1 73 LEU MD2 1 85 MET ME 1.800 . 5.000 3.803 2.788 5.037 0.037 15 0 "[ . 1 . 2]" 1 1039 1 73 LEU MD2 1 87 PHE QD 1.800 . 5.000 3.922 3.304 5.022 0.022 5 0 "[ . 1 . 2]" 1 1040 1 73 LEU MD2 1 87 PHE QE 1.800 . 5.000 3.661 2.985 4.287 . 0 0 "[ . 1 . 2]" 1 1041 1 73 LEU HG 1 74 THR H 1.800 . 5.000 4.615 4.198 5.106 0.106 13 0 "[ . 1 . 2]" 1 1042 1 74 THR H 1 74 THR MG 1.800 . 2.900 2.097 1.955 2.218 . 0 0 "[ . 1 . 2]" 1 1043 1 74 THR H 1 75 ASN H 1.800 . 5.000 2.609 2.519 3.117 . 0 0 "[ . 1 . 2]" 1 1044 1 74 THR HA 1 74 THR HB 1.800 . 2.900 2.439 2.425 2.500 . 0 0 "[ . 1 . 2]" 1 1045 1 74 THR HA 1 74 THR MG 1.800 . 3.500 2.426 2.368 2.465 . 0 0 "[ . 1 . 2]" 1 1046 1 74 THR HA 1 75 ASN H 1.800 . 5.000 3.556 3.533 3.604 . 0 0 "[ . 1 . 2]" 1 1047 1 74 THR HB 1 75 ASN H 1.800 . 5.000 3.748 3.250 3.908 . 0 0 "[ . 1 . 2]" 1 1048 1 74 THR MG 1 75 ASN H 1.800 . 5.000 3.778 3.699 3.846 . 0 0 "[ . 1 . 2]" 1 1049 1 75 ASN H 1 76 HIS H 1.800 . 5.000 4.094 3.397 4.367 . 0 0 "[ . 1 . 2]" 1 1050 1 75 ASN HB2 1 76 HIS H 1.800 . 5.000 4.363 3.956 4.649 . 0 0 "[ . 1 . 2]" 1 1051 1 75 ASN HB3 1 76 HIS H 1.800 . 5.000 3.774 2.948 4.377 . 0 0 "[ . 1 . 2]" 1 1052 1 76 HIS H 1 76 HIS HB3 1.800 . 3.500 3.524 3.286 3.643 0.143 16 0 "[ . 1 . 2]" 1 1053 1 76 HIS H 1 77 ALA H 1.800 . 5.000 4.115 2.677 4.483 . 0 0 "[ . 1 . 2]" 1 1054 1 76 HIS H 1 78 LYS H 1.800 . 6.000 5.471 3.900 6.119 0.119 13 0 "[ . 1 . 2]" 1 1055 1 76 HIS H 1 79 TYR QD 1.800 . 6.000 5.756 5.428 6.101 0.101 13 0 "[ . 1 . 2]" 1 1056 1 76 HIS HA 1 77 ALA H 1.800 . 5.000 2.339 2.182 2.701 . 0 0 "[ . 1 . 2]" 1 1057 1 76 HIS HA 1 78 LYS H 1.800 . 6.000 4.858 3.180 5.746 . 0 0 "[ . 1 . 2]" 1 1058 1 76 HIS HA 1 79 TYR H 1.800 . 5.000 4.393 3.953 4.756 . 0 0 "[ . 1 . 2]" 1 1059 1 76 HIS HA 1 79 TYR QB 1.800 . 6.000 3.919 3.033 6.031 0.031 3 0 "[ . 1 . 2]" 1 1060 1 76 HIS HA 1 80 ILE H 1.800 . 5.000 4.339 3.554 5.019 0.019 19 0 "[ . 1 . 2]" 1 1061 1 76 HIS QB 1 77 ALA H 1.800 . 5.000 3.024 2.189 4.025 . 0 0 "[ . 1 . 2]" 1 1062 1 76 HIS QB 1 79 TYR QE 1.800 . 5.000 4.815 4.065 5.134 0.134 16 0 "[ . 1 . 2]" 1 1063 1 76 HIS HD1 1 80 ILE MD 1.800 . 5.000 4.209 1.773 5.038 0.038 8 0 "[ . 1 . 2]" 1 1064 1 77 ALA H 1 77 ALA MB 1.800 . 3.500 2.907 2.339 3.033 . 0 0 "[ . 1 . 2]" 1 1065 1 77 ALA H 1 78 LYS H 1.800 . 5.000 3.420 2.892 3.777 . 0 0 "[ . 1 . 2]" 1 1066 1 77 ALA H 1 79 TYR H 1.800 . 5.000 3.179 2.578 3.728 . 0 0 "[ . 1 . 2]" 1 1067 1 77 ALA HA 1 78 LYS H 1.800 . 3.500 3.468 3.398 3.566 0.066 13 0 "[ . 1 . 2]" 1 1068 1 77 ALA HA 1 79 TYR H 1.800 . 5.000 4.490 3.968 4.709 . 0 0 "[ . 1 . 2]" 1 1069 1 77 ALA HA 1 80 ILE H 1.800 . 5.000 3.918 2.863 4.333 . 0 0 "[ . 1 . 2]" 1 1070 1 77 ALA HA 1 83 THR MG 1.800 . 5.000 4.973 4.500 5.119 0.119 12 0 "[ . 1 . 2]" 1 1071 1 77 ALA MB 1 78 LYS H 1.800 . 3.500 2.050 1.715 2.876 0.085 10 0 "[ . 1 . 2]" 1 1072 1 78 LYS H 1 80 ILE H 1.800 . 5.000 4.272 3.603 4.534 . 0 0 "[ . 1 . 2]" 1 1073 1 78 LYS HA 1 79 TYR H 1.800 . 3.500 3.524 3.493 3.556 0.056 8 0 "[ . 1 . 2]" 1 1074 1 78 LYS HA 1 80 ILE H 1.800 . 5.000 4.351 4.116 4.561 . 0 0 "[ . 1 . 2]" 1 1075 1 78 LYS QB 1 79 TYR H 1.800 . 5.000 2.672 2.531 2.730 . 0 0 "[ . 1 . 2]" 1 1076 1 79 TYR H 1 79 TYR QB 1.800 . 3.500 2.351 2.095 2.933 . 0 0 "[ . 1 . 2]" 1 1077 1 79 TYR HA 1 79 TYR QD 1.800 . 3.500 2.667 2.244 3.684 0.184 8 0 "[ . 1 . 2]" 1 1078 1 79 TYR HA 1 79 TYR QE 1.800 . 6.000 4.863 4.553 5.588 . 0 0 "[ . 1 . 2]" 1 1079 1 79 TYR HA 1 80 ILE H 1.800 . 5.000 3.478 3.150 3.577 . 0 0 "[ . 1 . 2]" 1 1080 1 79 TYR QB 1 79 TYR QD 1.800 . 2.900 2.175 2.142 2.222 . 0 0 "[ . 1 . 2]" 1 1081 1 79 TYR QB 1 80 ILE H 1.800 . 5.000 2.974 2.592 3.969 . 0 0 "[ . 1 . 2]" 1 1082 1 79 TYR QD 1 80 ILE H 1.800 . 3.500 3.612 3.422 3.736 0.236 11 0 "[ . 1 . 2]" 1 1083 1 79 TYR QD 1 80 ILE MD 1.800 . 5.000 3.348 2.768 4.172 . 0 0 "[ . 1 . 2]" 1 1084 1 79 TYR QE 1 80 ILE H 1.800 . 6.000 5.037 4.531 5.407 . 0 0 "[ . 1 . 2]" 1 1085 1 79 TYR QE 1 80 ILE HB 1.800 . 6.000 5.313 4.845 5.877 . 0 0 "[ . 1 . 2]" 1 1086 1 79 TYR QE 1 80 ILE MD 1.800 . 5.000 3.317 2.640 4.497 . 0 0 "[ . 1 . 2]" 1 1087 1 79 TYR QE 1 80 ILE MG 1.800 . 6.000 2.854 2.536 3.549 . 0 0 "[ . 1 . 2]" 1 1088 1 80 ILE H 1 80 ILE MD 1.800 . 5.000 3.527 2.280 3.679 . 0 0 "[ . 1 . 2]" 1 1089 1 80 ILE H 1 80 ILE MG 1.800 . 6.000 3.462 3.292 3.715 . 0 0 "[ . 1 . 2]" 1 1090 1 80 ILE HA 1 80 ILE MD 1.800 . 5.000 4.065 3.528 4.127 . 0 0 "[ . 1 . 2]" 1 1091 1 80 ILE HA 1 80 ILE MG 1.800 . 6.000 2.145 2.108 2.216 . 0 0 "[ . 1 . 2]" 1 1092 1 80 ILE HB 1 80 ILE MD 1.800 . 5.000 2.243 2.169 2.382 . 0 0 "[ . 1 . 2]" 1 1093 1 81 PRO HB2 1 82 GLY H 1.800 . 5.000 3.386 2.779 3.912 . 0 0 "[ . 1 . 2]" 1 1094 1 81 PRO HB3 1 82 GLY H 1.800 . 5.000 3.437 3.032 4.427 . 0 0 "[ . 1 . 2]" 1 1095 1 81 PRO QD 1 82 GLY H 1.800 . 5.000 4.726 3.453 5.042 0.042 16 0 "[ . 1 . 2]" 1 1096 1 81 PRO QG 1 82 GLY H 1.800 . 5.000 4.535 3.514 4.894 . 0 0 "[ . 1 . 2]" 1 1097 1 81 PRO QG 2 1 HEC HHA 1.800 . 6.000 6.071 6.007 6.105 0.105 5 0 "[ . 1 . 2]" 1 1098 1 82 GLY H 1 83 THR H 1.800 . 5.000 2.820 2.181 3.182 . 0 0 "[ . 1 . 2]" 1 1099 1 82 GLY QA 1 83 THR H 1.800 . 5.000 2.889 2.778 2.932 . 0 0 "[ . 1 . 2]" 1 1100 1 83 THR H 1 83 THR MG 1.800 . 5.000 2.419 2.033 2.696 . 0 0 "[ . 1 . 2]" 1 1101 1 83 THR H 1 84 LYS H 1.800 . 5.000 4.509 2.997 4.670 . 0 0 "[ . 1 . 2]" 1 1102 1 83 THR HA 1 83 THR MG 1.800 . 5.000 3.179 3.170 3.185 . 0 0 "[ . 1 . 2]" 1 1103 1 83 THR MG 1 84 LYS H 1.800 . 5.000 3.689 1.786 4.106 0.014 13 0 "[ . 1 . 2]" 1 1104 1 83 THR MG 1 85 MET H 1.800 . 5.000 4.168 2.434 4.858 . 0 0 "[ . 1 . 2]" 1 1105 1 83 THR MG 1 85 MET ME 1.800 . 5.000 4.997 4.231 5.097 0.097 1 0 "[ . 1 . 2]" 1 1106 1 84 LYS HA 1 85 MET H 1.800 . 5.000 2.401 2.193 3.560 . 0 0 "[ . 1 . 2]" 1 1107 1 85 MET H 1 85 MET QG 1.800 . 5.000 3.795 2.420 4.131 . 0 0 "[ . 1 . 2]" 1 1108 1 85 MET H 1 86 ALA H 1.800 . 5.000 4.313 2.715 4.570 . 0 0 "[ . 1 . 2]" 1 1109 1 85 MET HA 1 85 MET ME 1.800 . 5.000 4.394 3.690 4.626 . 0 0 "[ . 1 . 2]" 1 1110 1 85 MET HA 1 85 MET QG 1.800 . 5.000 2.237 2.114 2.434 . 0 0 "[ . 1 . 2]" 1 1111 1 85 MET HA 1 86 ALA H 1.800 . 5.000 2.295 2.179 3.565 . 0 0 "[ . 1 . 2]" 1 1112 1 85 MET HA 2 1 HEC HAC 1.800 . 6.000 5.347 4.404 5.944 . 0 0 "[ . 1 . 2]" 1 1113 1 85 MET HA 2 1 HEC HHD 1.800 . 5.000 4.014 3.345 4.438 . 0 0 "[ . 1 . 2]" 1 1114 1 85 MET HB2 1 85 MET ME 1.800 . 5.000 2.947 2.009 3.499 . 0 0 "[ . 1 . 2]" 1 1115 1 85 MET HB3 1 85 MET ME 1.800 . 5.000 2.471 2.217 2.991 . 0 0 "[ . 1 . 2]" 1 1116 1 85 MET ME 1 85 MET QG 1.800 . 5.000 2.229 2.118 2.577 . 0 0 "[ . 1 . 2]" 1 1117 1 85 MET ME 1 87 PHE H 1.800 . 5.000 3.576 3.191 4.029 . 0 0 "[ . 1 . 2]" 1 1118 1 85 MET ME 1 87 PHE HA 1.800 . 5.000 4.651 4.344 5.046 0.046 6 0 "[ . 1 . 2]" 1 1119 1 85 MET ME 1 87 PHE HB2 1.800 . 5.000 3.009 2.444 3.916 . 0 0 "[ . 1 . 2]" 1 1120 1 85 MET ME 1 87 PHE HB3 1.800 . 5.000 2.267 2.014 3.061 . 0 0 "[ . 1 . 2]" 1 1121 1 85 MET ME 1 87 PHE QD 1.800 . 5.000 3.238 2.729 3.748 . 0 0 "[ . 1 . 2]" 1 1122 1 85 MET ME 1 87 PHE QE 1.800 . 5.000 4.807 4.554 5.110 0.110 20 0 "[ . 1 . 2]" 1 1123 1 85 MET ME 2 1 HEC HAB 1.800 . 5.000 4.846 4.357 5.099 0.099 14 0 "[ . 1 . 2]" 1 1124 1 85 MET ME 2 1 HEC HBA1 1.800 . 5.000 3.966 3.287 4.847 . 0 0 "[ . 1 . 2]" 1 1125 1 85 MET ME 2 1 HEC HHA 1.800 . 6.000 5.377 4.927 5.969 . 0 0 "[ . 1 . 2]" 1 1126 1 85 MET ME 2 1 HEC HHB 1.800 . 5.000 3.540 3.347 4.035 . 0 0 "[ . 1 . 2]" 1 1127 1 85 MET ME 2 1 HEC HHD 1.800 . 6.000 5.972 5.515 6.078 0.078 6 0 "[ . 1 . 2]" 1 1128 1 85 MET QG 1 86 ALA H 1.800 . 5.000 3.066 2.345 4.501 . 0 0 "[ . 1 . 2]" 1 1129 1 85 MET QG 1 86 ALA MB 1.800 . 6.000 4.206 3.623 5.724 . 0 0 "[ . 1 . 2]" 1 1130 1 85 MET QG 1 87 PHE QB 1.800 . 5.000 2.888 1.975 4.655 . 0 0 "[ . 1 . 2]" 1 1131 1 85 MET QG 2 1 HEC HHD 1.800 . 5.000 3.784 3.383 4.560 . 0 0 "[ . 1 . 2]" 1 1132 1 86 ALA H 1 86 ALA MB 1.800 . 5.000 2.158 2.036 2.925 . 0 0 "[ . 1 . 2]" 1 1133 1 86 ALA H 1 87 PHE QB 1.800 . 5.000 4.425 4.115 4.567 . 0 0 "[ . 1 . 2]" 1 1134 1 86 ALA HA 1 87 PHE H 1.800 . 5.000 3.447 2.986 3.540 . 0 0 "[ . 1 . 2]" 1 1135 1 86 ALA MB 1 87 PHE H 1.800 . 5.000 2.974 2.724 3.600 . 0 0 "[ . 1 . 2]" 1 1136 1 86 ALA MB 2 1 HEC HAC 1.800 . 5.000 4.875 4.467 5.041 0.041 13 0 "[ . 1 . 2]" 1 1137 1 86 ALA MB 2 1 HEC HHD 1.800 . 6.000 5.303 4.663 5.670 . 0 0 "[ . 1 . 2]" 1 1138 1 87 PHE H 1 87 PHE HB2 1.800 . 3.500 2.506 2.273 2.823 . 0 0 "[ . 1 . 2]" 1 1139 1 87 PHE H 1 87 PHE HB3 1.800 . 3.500 2.682 2.327 2.909 . 0 0 "[ . 1 . 2]" 1 1140 1 87 PHE HA 1 87 PHE QD 1.800 . 5.000 2.744 2.232 3.063 . 0 0 "[ . 1 . 2]" 1 1141 1 87 PHE HA 1 87 PHE QE 1.800 . 5.000 4.489 4.305 4.615 . 0 0 "[ . 1 . 2]" 1 1142 1 87 PHE QB 1 87 PHE QD 1.800 . 2.900 2.157 2.150 2.228 . 0 0 "[ . 1 . 2]" 1 1143 1 87 PHE QB 2 1 HEC HHC 1.800 . 6.000 3.050 2.589 3.571 . 0 0 "[ . 1 . 2]" 1 1144 1 87 PHE QD 1 89 GLY HA2 1.800 . 5.000 3.496 2.462 3.970 . 0 0 "[ . 1 . 2]" 1 1145 1 87 PHE QD 1 89 GLY HA3 1.800 . 5.000 4.959 3.952 5.115 0.115 2 0 "[ . 1 . 2]" 1 1146 1 87 PHE QD 2 1 HEC HHC 1.800 . 5.000 3.665 2.635 4.492 . 0 0 "[ . 1 . 2]" 1 1147 1 87 PHE QE 1 89 GLY QA 1.800 . 5.000 3.123 2.251 3.564 . 0 0 "[ . 1 . 2]" 1 1148 1 87 PHE QE 1 90 LEU H 1.800 . 5.000 3.510 3.128 4.219 . 0 0 "[ . 1 . 2]" 1 1149 1 87 PHE QE 1 90 LEU HB2 1.800 . 5.000 3.117 2.243 4.648 . 0 0 "[ . 1 . 2]" 1 1150 1 87 PHE QE 1 90 LEU HB3 1.800 . 5.000 4.158 3.347 5.096 0.096 17 0 "[ . 1 . 2]" 1 1151 1 87 PHE QE 1 90 LEU MD1 1.800 . 3.500 3.097 2.209 3.637 0.137 15 0 "[ . 1 . 2]" 1 1152 1 87 PHE QE 1 90 LEU MD2 1.800 . 3.500 3.409 2.246 3.607 0.107 11 0 "[ . 1 . 2]" 1 1153 1 87 PHE QE 1 90 LEU HG 1.800 . 5.000 4.129 2.283 5.097 0.097 1 0 "[ . 1 . 2]" 1 1154 1 87 PHE HZ 1 90 LEU H 1.800 . 5.000 4.799 3.334 5.051 0.051 19 0 "[ . 1 . 2]" 1 1155 1 87 PHE HZ 1 90 LEU MD1 1.800 . 3.500 2.455 2.022 3.578 0.078 11 0 "[ . 1 . 2]" 1 1156 1 87 PHE HZ 1 90 LEU MD2 1.800 . 3.500 2.635 2.172 3.730 0.230 15 0 "[ . 1 . 2]" 1 1157 1 89 GLY H 1 90 LEU H 1.800 . 5.000 4.509 4.302 4.692 . 0 0 "[ . 1 . 2]" 1 1158 1 89 GLY HA2 1 90 LEU H 1.800 . 5.000 2.451 2.246 2.717 . 0 0 "[ . 1 . 2]" 1 1159 1 89 GLY HA3 1 90 LEU H 1.800 . 5.000 2.791 2.488 3.088 . 0 0 "[ . 1 . 2]" 1 1160 1 90 LEU H 1 90 LEU HB3 1.800 . 3.500 3.025 2.530 3.671 0.171 16 0 "[ . 1 . 2]" 1 1161 1 90 LEU H 1 90 LEU MD1 1.800 . 5.000 3.942 2.428 4.438 . 0 0 "[ . 1 . 2]" 1 1162 1 90 LEU H 1 90 LEU MD2 1.800 . 5.000 4.179 1.777 4.805 0.023 4 0 "[ . 1 . 2]" 1 1163 1 90 LEU H 1 90 LEU HG 1.800 . 5.000 3.948 2.354 4.695 . 0 0 "[ . 1 . 2]" 1 1164 1 90 LEU HB2 1 90 LEU MD1 1.800 . 5.000 2.282 2.163 2.390 . 0 0 "[ . 1 . 2]" 1 1165 1 90 LEU HB2 1 90 LEU MD2 1.800 . 5.000 2.638 2.214 3.194 . 0 0 "[ . 1 . 2]" 1 1166 1 90 LEU HB3 1 90 LEU MD1 1.800 . 5.000 2.897 2.227 3.196 . 0 0 "[ . 1 . 2]" 1 1167 1 90 LEU HB3 1 90 LEU MD2 1.800 . 5.000 2.316 2.160 2.495 . 0 0 "[ . 1 . 2]" 1 1168 1 90 LEU QD 1 91 LYS H 1.800 . 5.000 2.627 1.772 4.047 0.028 15 0 "[ . 1 . 2]" 1 1169 1 90 LEU QD 1 95 ASP H 1.800 . 5.000 4.041 3.589 4.717 . 0 0 "[ . 1 . 2]" 1 1170 1 90 LEU QD 1 95 ASP QB 1.800 . 2.900 2.278 1.920 2.723 . 0 0 "[ . 1 . 2]" 1 1171 1 90 LEU QD 1 96 ARG HA 1.800 . 2.900 2.467 2.120 2.958 0.058 8 0 "[ . 1 . 2]" 1 1172 1 90 LEU QD 1 99 LEU QD 1.800 . 2.900 2.450 1.793 2.957 0.057 18 0 "[ . 1 . 2]" 1 1173 1 90 LEU MD1 1 92 LYS H 1.800 . 5.000 3.638 2.637 5.045 0.045 17 0 "[ . 1 . 2]" 1 1174 1 90 LEU MD1 1 93 GLU H 1.800 . 6.000 5.782 4.205 6.074 0.074 3 0 "[ . 1 . 2]" 1 1175 1 90 LEU MD2 1 92 LYS H 1.800 . 5.000 3.464 1.857 4.842 . 0 0 "[ . 1 . 2]" 1 1176 1 90 LEU MD2 1 93 GLU H 1.800 . 6.000 5.202 3.790 6.174 0.174 11 0 "[ . 1 . 2]" 1 1177 1 91 LYS HA 1 92 LYS H 1.800 . 5.000 3.537 3.455 3.554 . 0 0 "[ . 1 . 2]" 1 1178 1 91 LYS HA 1 92 LYS QB 1.800 . 6.000 5.423 4.143 5.558 . 0 0 "[ . 1 . 2]" 1 1179 1 91 LYS QB 1 92 LYS H 1.800 . 5.000 2.666 2.575 2.992 . 0 0 "[ . 1 . 2]" 1 1180 1 92 LYS H 1 92 LYS HD2 1.800 . 5.000 4.312 4.023 5.079 0.079 6 0 "[ . 1 . 2]" 1 1181 1 92 LYS H 1 92 LYS HD3 1.800 . 6.000 4.892 3.630 5.500 . 0 0 "[ . 1 . 2]" 1 1182 1 92 LYS H 1 92 LYS QG 1.800 . 5.000 2.463 2.107 2.780 . 0 0 "[ . 1 . 2]" 1 1183 1 92 LYS HA 1 93 GLU H 1.800 . 5.000 2.430 2.165 3.525 . 0 0 "[ . 1 . 2]" 1 1184 1 92 LYS QB 1 95 ASP QB 1.800 . 6.000 2.627 2.178 6.139 0.139 6 0 "[ . 1 . 2]" 1 1185 1 92 LYS HB2 1 93 GLU H 1.800 . 5.000 4.177 2.708 4.495 . 0 0 "[ . 1 . 2]" 1 1186 1 92 LYS HB3 1 93 GLU H 1.800 . 5.000 3.822 3.465 4.403 . 0 0 "[ . 1 . 2]" 1 1187 1 93 GLU H 1 93 GLU HG2 1.800 . 5.000 3.678 2.203 4.825 . 0 0 "[ . 1 . 2]" 1 1188 1 93 GLU H 1 93 GLU HG3 1.800 . 5.000 2.951 2.181 4.508 . 0 0 "[ . 1 . 2]" 1 1189 1 93 GLU H 1 94 LYS H 1.800 . 5.000 2.878 2.636 4.099 . 0 0 "[ . 1 . 2]" 1 1190 1 93 GLU H 1 95 ASP H 1.800 . 5.000 4.330 3.495 4.547 . 0 0 "[ . 1 . 2]" 1 1191 1 93 GLU HA 1 94 LYS H 1.800 . 5.000 3.528 3.039 3.606 . 0 0 "[ . 1 . 2]" 1 1192 1 93 GLU HA 1 95 ASP H 1.800 . 5.000 4.466 4.146 4.643 . 0 0 "[ . 1 . 2]" 1 1193 1 93 GLU HA 1 96 ARG H 1.800 . 5.000 3.335 3.171 4.371 . 0 0 "[ . 1 . 2]" 1 1194 1 93 GLU HA 1 96 ARG HB2 1.800 . 5.000 2.986 2.681 4.890 . 0 0 "[ . 1 . 2]" 1 1195 1 93 GLU HA 1 96 ARG QB 1.800 . 5.000 2.567 2.199 4.015 . 0 0 "[ . 1 . 2]" 1 1196 1 93 GLU HA 1 96 ARG HB3 1.800 . 5.000 2.851 2.335 4.423 . 0 0 "[ . 1 . 2]" 1 1197 1 93 GLU HA 1 97 ASN H 1.800 . 5.000 4.406 4.090 5.118 0.118 6 0 "[ . 1 . 2]" 1 1198 1 93 GLU HB2 1 94 LYS H 1.800 . 5.000 2.998 2.259 3.962 . 0 0 "[ . 1 . 2]" 1 1199 1 93 GLU HB3 1 94 LYS H 1.800 . 5.000 3.337 1.774 3.883 0.026 6 0 "[ . 1 . 2]" 1 1200 1 94 LYS H 1 94 LYS HB2 1.800 . 3.500 2.488 2.460 2.522 . 0 0 "[ . 1 . 2]" 1 1201 1 94 LYS H 1 94 LYS HB3 1.800 . 3.500 3.076 2.621 3.607 0.107 11 0 "[ . 1 . 2]" 1 1202 1 94 LYS H 1 95 ASP H 1.800 . 5.000 2.799 2.742 2.890 . 0 0 "[ . 1 . 2]" 1 1203 1 94 LYS HA 1 95 ASP H 1.800 . 3.500 3.563 3.522 3.572 0.072 14 0 "[ . 1 . 2]" 1 1204 1 94 LYS HA 1 96 ARG H 1.800 . 5.000 4.337 4.183 4.446 . 0 0 "[ . 1 . 2]" 1 1205 1 94 LYS HA 1 97 ASN H 1.800 . 5.000 3.533 3.285 3.616 . 0 0 "[ . 1 . 2]" 1 1206 1 94 LYS HA 1 97 ASN HB2 1.800 . 5.000 3.331 2.873 3.512 . 0 0 "[ . 1 . 2]" 1 1207 1 94 LYS HA 1 97 ASN HB3 1.800 . 5.000 4.807 4.388 5.012 0.012 13 0 "[ . 1 . 2]" 1 1208 1 94 LYS HA 1 97 ASN QD 1.800 . 5.000 3.185 2.406 4.551 . 0 0 "[ . 1 . 2]" 1 1209 1 94 LYS HA 1 98 ASP H 1.800 . 5.000 4.793 4.397 4.924 . 0 0 "[ . 1 . 2]" 1 1210 1 94 LYS HB2 1 95 ASP H 1.800 . 5.000 3.205 2.430 3.914 . 0 0 "[ . 1 . 2]" 1 1211 1 94 LYS HB3 1 95 ASP H 1.800 . 5.000 2.943 2.328 3.645 . 0 0 "[ . 1 . 2]" 1 1212 1 94 LYS HG2 1 95 ASP H 1.800 . 5.000 4.253 3.612 4.940 . 0 0 "[ . 1 . 2]" 1 1213 1 94 LYS HG3 1 95 ASP H 1.800 . 5.000 4.507 4.191 4.900 . 0 0 "[ . 1 . 2]" 1 1214 1 95 ASP H 1 95 ASP HB2 1.800 . 3.500 2.440 2.410 2.465 . 0 0 "[ . 1 . 2]" 1 1215 1 95 ASP H 1 95 ASP HB3 1.800 . 3.500 3.599 3.592 3.606 0.106 16 0 "[ . 1 . 2]" 1 1216 1 95 ASP H 1 96 ARG H 1.800 . 3.500 2.643 2.597 2.758 . 0 0 "[ . 1 . 2]" 1 1217 1 95 ASP H 1 97 ASN H 1.800 . 5.000 4.272 4.168 4.327 . 0 0 "[ . 1 . 2]" 1 1218 1 95 ASP HA 1 96 ARG H 1.800 . 5.000 3.539 3.528 3.561 . 0 0 "[ . 1 . 2]" 1 1219 1 95 ASP HA 1 97 ASN H 1.800 . 5.000 4.291 4.166 4.506 . 0 0 "[ . 1 . 2]" 1 1220 1 95 ASP HA 1 98 ASP H 1.800 . 5.000 3.376 3.226 3.580 . 0 0 "[ . 1 . 2]" 1 1221 1 95 ASP HA 1 98 ASP HB2 1.800 . 5.000 3.015 2.783 3.243 . 0 0 "[ . 1 . 2]" 1 1222 1 95 ASP HA 1 98 ASP HB3 1.800 . 5.000 4.561 4.342 4.821 . 0 0 "[ . 1 . 2]" 1 1223 1 95 ASP HA 1 99 LEU H 1.800 . 5.000 4.534 4.128 4.892 . 0 0 "[ . 1 . 2]" 1 1224 1 95 ASP HB2 1 96 ARG H 1.800 . 5.000 2.673 2.535 2.751 . 0 0 "[ . 1 . 2]" 1 1225 1 95 ASP HB3 1 96 ARG H 1.800 . 5.000 3.655 3.527 3.715 . 0 0 "[ . 1 . 2]" 1 1226 1 96 ARG H 1 96 ARG QB 1.800 . 3.500 2.273 2.254 2.486 . 0 0 "[ . 1 . 2]" 1 1227 1 96 ARG H 1 96 ARG HG2 1.800 . 5.000 4.441 3.264 4.522 . 0 0 "[ . 1 . 2]" 1 1228 1 96 ARG H 1 96 ARG HG3 1.800 . 5.000 4.299 2.092 4.465 . 0 0 "[ . 1 . 2]" 1 1229 1 96 ARG H 1 97 ASN H 1.800 . 3.500 2.774 2.723 2.825 . 0 0 "[ . 1 . 2]" 1 1230 1 96 ARG H 1 98 ASP H 1.800 . 5.000 4.283 4.199 4.429 . 0 0 "[ . 1 . 2]" 1 1231 1 96 ARG HA 1 97 ASN H 1.800 . 3.500 3.556 3.545 3.564 0.064 11 0 "[ . 1 . 2]" 1 1232 1 96 ARG HA 1 98 ASP H 1.800 . 5.000 4.376 4.196 4.614 . 0 0 "[ . 1 . 2]" 1 1233 1 96 ARG HA 1 99 LEU H 1.800 . 5.000 3.369 3.176 3.475 . 0 0 "[ . 1 . 2]" 1 1234 1 96 ARG HA 1 99 LEU HB2 1.800 . 5.000 2.996 2.590 3.314 . 0 0 "[ . 1 . 2]" 1 1235 1 96 ARG HA 1 99 LEU HB3 1.800 . 5.000 3.959 2.392 4.784 . 0 0 "[ . 1 . 2]" 1 1236 1 96 ARG HA 1 100 ILE H 1.800 . 5.000 4.517 3.575 4.847 . 0 0 "[ . 1 . 2]" 1 1237 1 96 ARG HB2 1 97 ASN H 1.800 . 5.000 3.773 2.569 3.858 . 0 0 "[ . 1 . 2]" 1 1238 1 96 ARG HB3 1 97 ASN H 1.800 . 5.000 2.618 2.523 3.635 . 0 0 "[ . 1 . 2]" 1 1239 1 97 ASN H 1 97 ASN HB2 1.800 . 3.500 2.494 2.472 2.547 . 0 0 "[ . 1 . 2]" 1 1240 1 97 ASN H 1 97 ASN HB3 1.800 . 3.500 3.602 3.598 3.609 0.109 3 0 "[ . 1 . 2]" 1 1241 1 97 ASN H 1 98 ASP H 1.800 . 3.500 2.745 2.695 2.823 . 0 0 "[ . 1 . 2]" 1 1242 1 97 ASN H 1 99 LEU H 1.800 . 5.000 4.147 3.981 4.268 . 0 0 "[ . 1 . 2]" 1 1243 1 97 ASN HA 1 98 ASP H 1.800 . 3.500 3.555 3.545 3.569 0.069 4 0 "[ . 1 . 2]" 1 1244 1 97 ASN HA 1 99 LEU H 1.800 . 5.000 4.280 4.138 4.432 . 0 0 "[ . 1 . 2]" 1 1245 1 97 ASN HA 1 100 ILE H 1.800 . 5.000 3.506 3.338 3.873 . 0 0 "[ . 1 . 2]" 1 1246 1 97 ASN HA 1 100 ILE HB 1.800 . 5.000 3.336 3.137 3.477 . 0 0 "[ . 1 . 2]" 1 1247 1 97 ASN HA 1 101 THR H 1.800 . 5.000 4.612 4.225 4.798 . 0 0 "[ . 1 . 2]" 1 1248 1 97 ASN HB2 1 98 ASP H 1.800 . 5.000 2.577 2.437 2.676 . 0 0 "[ . 1 . 2]" 1 1249 1 97 ASN HB3 1 98 ASP H 1.800 . 5.000 3.611 3.460 3.701 . 0 0 "[ . 1 . 2]" 1 1250 1 98 ASP H 1 98 ASP HB2 1.800 . 3.500 2.448 2.425 2.466 . 0 0 "[ . 1 . 2]" 1 1251 1 98 ASP H 1 98 ASP HB3 1.800 . 3.500 3.601 3.599 3.605 0.105 10 0 "[ . 1 . 2]" 1 1252 1 98 ASP H 1 99 LEU H 1.800 . 3.500 2.676 2.550 2.742 . 0 0 "[ . 1 . 2]" 1 1253 1 98 ASP H 1 100 ILE H 1.800 . 5.000 4.351 4.317 4.444 . 0 0 "[ . 1 . 2]" 1 1254 1 98 ASP HA 1 99 LEU H 1.800 . 3.500 3.537 3.512 3.551 0.051 6 0 "[ . 1 . 2]" 1 1255 1 98 ASP HA 1 100 ILE H 1.800 . 5.000 4.439 4.301 4.809 . 0 0 "[ . 1 . 2]" 1 1256 1 98 ASP HA 1 101 THR H 1.800 . 5.000 3.522 3.370 3.752 . 0 0 "[ . 1 . 2]" 1 1257 1 98 ASP HA 1 101 THR HB 1.800 . 5.000 3.300 2.987 4.759 . 0 0 "[ . 1 . 2]" 1 1258 1 98 ASP HA 1 102 TYR H 1.800 . 5.000 4.428 4.048 4.639 . 0 0 "[ . 1 . 2]" 1 1259 1 98 ASP HB2 1 99 LEU H 1.800 . 3.500 2.691 2.657 2.731 . 0 0 "[ . 1 . 2]" 1 1260 1 98 ASP HB3 1 99 LEU H 1.800 . 5.000 3.665 3.634 3.714 . 0 0 "[ . 1 . 2]" 1 1261 1 99 LEU H 1 99 LEU HB2 1.800 . 3.500 2.437 2.183 2.529 . 0 0 "[ . 1 . 2]" 1 1262 1 99 LEU H 1 99 LEU HB3 1.800 . 3.500 3.307 2.631 3.600 0.100 10 0 "[ . 1 . 2]" 1 1263 1 99 LEU H 1 99 LEU MD1 1.800 . 5.000 3.680 3.540 3.966 . 0 0 "[ . 1 . 2]" 1 1264 1 99 LEU H 1 99 LEU MD2 1.800 . 5.000 3.386 1.810 4.246 . 0 0 "[ . 1 . 2]" 1 1265 1 99 LEU H 1 100 ILE H 1.800 . 5.000 2.771 2.751 2.801 . 0 0 "[ . 1 . 2]" 1 1266 1 99 LEU H 1 101 THR H 1.800 . 5.000 4.312 4.168 4.431 . 0 0 "[ . 1 . 2]" 1 1267 1 99 LEU HA 1 99 LEU QD 1.800 . 5.000 2.043 1.938 2.074 . 0 0 "[ . 1 . 2]" 1 1268 1 99 LEU HA 1 100 ILE H 1.800 . 5.000 3.567 3.555 3.586 . 0 0 "[ . 1 . 2]" 1 1269 1 99 LEU HA 1 101 THR H 1.800 . 5.000 4.479 4.374 4.606 . 0 0 "[ . 1 . 2]" 1 1270 1 99 LEU HA 1 102 TYR H 1.800 . 5.000 3.418 3.314 3.580 . 0 0 "[ . 1 . 2]" 1 1271 1 99 LEU HA 1 102 TYR QB 1.800 . 5.000 2.737 2.546 3.166 . 0 0 "[ . 1 . 2]" 1 1272 1 99 LEU HA 1 103 LEU H 1.800 . 5.000 4.388 4.091 4.801 . 0 0 "[ . 1 . 2]" 1 1273 1 99 LEU HB2 1 100 ILE H 1.800 . 3.500 2.918 2.487 3.726 0.226 13 0 "[ . 1 . 2]" 1 1274 1 99 LEU HB3 1 100 ILE H 1.800 . 3.500 3.202 2.324 3.613 0.113 15 0 "[ . 1 . 2]" 1 1275 1 99 LEU QD 1 103 LEU H 1.800 . 6.000 4.775 4.161 5.257 . 0 0 "[ . 1 . 2]" 1 1276 1 99 LEU MD1 1 100 ILE H 1.800 . 5.000 4.491 4.438 4.651 . 0 0 "[ . 1 . 2]" 1 1277 1 99 LEU MD2 1 100 ILE H 1.800 . 5.000 4.436 4.009 4.620 . 0 0 "[ . 1 . 2]" 1 1278 1 100 ILE H 1 100 ILE HB 1.800 . 3.500 2.567 2.503 2.665 . 0 0 "[ . 1 . 2]" 1 1279 1 100 ILE H 1 100 ILE MD 1.800 . 5.000 3.264 2.560 3.468 . 0 0 "[ . 1 . 2]" 1 1280 1 100 ILE H 1 100 ILE QG 1.800 . 5.000 1.955 1.883 2.055 . 0 0 "[ . 1 . 2]" 1 1281 1 100 ILE H 1 100 ILE MG 1.800 . 3.500 3.746 3.731 3.762 0.262 11 0 "[ . 1 . 2]" 1 1282 1 100 ILE H 1 101 THR H 1.800 . 5.000 2.787 2.711 2.864 . 0 0 "[ . 1 . 2]" 1 1283 1 100 ILE H 1 102 TYR H 1.800 . 5.000 4.203 4.125 4.293 . 0 0 "[ . 1 . 2]" 1 1284 1 100 ILE HA 1 100 ILE QG 1.800 . 5.000 2.570 2.390 3.085 . 0 0 "[ . 1 . 2]" 1 1285 1 100 ILE HA 1 100 ILE MG 1.800 . 3.500 2.313 2.218 2.360 . 0 0 "[ . 1 . 2]" 1 1286 1 100 ILE HA 1 101 THR H 1.800 . 3.500 3.560 3.543 3.567 0.067 12 0 "[ . 1 . 2]" 1 1287 1 100 ILE HA 1 102 TYR H 1.800 . 5.000 4.385 4.290 4.482 . 0 0 "[ . 1 . 2]" 1 1288 1 100 ILE HA 1 103 LEU H 1.800 . 5.000 3.432 3.334 3.563 . 0 0 "[ . 1 . 2]" 1 1289 1 100 ILE HA 1 103 LEU HB2 1.800 . 5.000 2.980 2.622 3.337 . 0 0 "[ . 1 . 2]" 1 1290 1 100 ILE HA 1 103 LEU HB3 1.800 . 5.000 4.453 3.998 4.769 . 0 0 "[ . 1 . 2]" 1 1291 1 100 ILE HA 1 104 LYS H 1.800 . 5.000 4.689 4.449 4.814 . 0 0 "[ . 1 . 2]" 1 1292 1 100 ILE HB 1 100 ILE MD 1.800 . 5.000 2.508 2.229 3.206 . 0 0 "[ . 1 . 2]" 1 1293 1 100 ILE HB 1 101 THR H 1.800 . 5.000 2.483 2.400 2.637 . 0 0 "[ . 1 . 2]" 1 1294 1 100 ILE MD 1 101 THR H 1.800 . 5.000 4.390 4.311 4.527 . 0 0 "[ . 1 . 2]" 1 1295 1 100 ILE MG 1 101 THR H 1.800 . 5.000 3.405 3.286 3.586 . 0 0 "[ . 1 . 2]" 1 1296 1 100 ILE MG 1 103 LEU H 1.800 . 5.000 4.537 4.405 4.695 . 0 0 "[ . 1 . 2]" 1 1297 1 100 ILE MG 1 104 LYS H 1.800 . 5.000 4.363 4.129 4.499 . 0 0 "[ . 1 . 2]" 1 1298 1 101 THR H 1 102 TYR H 1.800 . 3.500 2.739 2.697 2.790 . 0 0 "[ . 1 . 2]" 1 1299 1 101 THR H 1 103 LEU H 1.800 . 5.000 4.264 4.157 4.391 . 0 0 "[ . 1 . 2]" 1 1300 1 101 THR HA 1 101 THR MG 1.800 . 3.500 2.261 2.213 2.357 . 0 0 "[ . 1 . 2]" 1 1301 1 101 THR HA 1 102 TYR H 1.800 . 5.000 3.557 3.548 3.564 . 0 0 "[ . 1 . 2]" 1 1302 1 101 THR HA 1 103 LEU H 1.800 . 5.000 4.398 4.315 4.491 . 0 0 "[ . 1 . 2]" 1 1303 1 101 THR HA 1 104 LYS H 1.800 . 5.000 3.531 3.478 3.650 . 0 0 "[ . 1 . 2]" 1 1304 1 101 THR HA 1 104 LYS HB2 1.800 . 5.000 3.476 3.225 3.847 . 0 0 "[ . 1 . 2]" 1 1305 1 101 THR HA 1 104 LYS HB3 1.800 . 5.000 3.502 3.361 3.682 . 0 0 "[ . 1 . 2]" 1 1306 1 101 THR HA 1 105 LYS H 1.800 . 5.000 4.855 4.745 4.916 . 0 0 "[ . 1 . 2]" 1 1307 1 101 THR HB 1 102 TYR H 1.800 . 3.500 2.614 2.517 3.587 0.087 16 0 "[ . 1 . 2]" 1 1308 1 102 TYR H 1 102 TYR QB 1.800 . 3.500 2.280 2.271 2.288 . 0 0 "[ . 1 . 2]" 1 1309 1 102 TYR H 1 102 TYR QD 1.800 . 5.000 4.202 4.199 4.207 . 0 0 "[ . 1 . 2]" 1 1310 1 102 TYR H 1 103 LEU H 1.800 . 5.000 2.758 2.704 2.798 . 0 0 "[ . 1 . 2]" 1 1311 1 102 TYR H 1 104 LYS H 1.800 . 5.000 4.266 4.171 4.395 . 0 0 "[ . 1 . 2]" 1 1312 1 102 TYR HA 1 103 LEU H 1.800 . 5.000 3.568 3.550 3.577 . 0 0 "[ . 1 . 2]" 1 1313 1 102 TYR HA 1 104 LYS H 1.800 . 5.000 4.239 4.193 4.303 . 0 0 "[ . 1 . 2]" 1 1314 1 102 TYR HA 1 105 LYS H 1.800 . 5.000 3.296 3.235 3.358 . 0 0 "[ . 1 . 2]" 1 1315 1 102 TYR HA 1 105 LYS HB2 1.800 . 5.000 3.304 3.193 3.413 . 0 0 "[ . 1 . 2]" 1 1316 1 102 TYR HA 1 105 LYS HB3 1.800 . 5.000 3.105 2.862 3.296 . 0 0 "[ . 1 . 2]" 1 1317 1 102 TYR HA 1 106 ALA H 1.800 . 5.000 4.599 4.280 4.805 . 0 0 "[ . 1 . 2]" 1 1318 1 102 TYR HB2 1 103 LEU H 1.800 . 5.000 3.913 3.877 3.958 . 0 0 "[ . 1 . 2]" 1 1319 1 102 TYR HB3 1 103 LEU H 1.800 . 5.000 2.625 2.564 2.690 . 0 0 "[ . 1 . 2]" 1 1320 1 102 TYR QE 1 105 LYS H 1.800 . 6.000 6.022 5.976 6.046 0.046 14 0 "[ . 1 . 2]" 1 1321 1 103 LEU H 1 103 LEU HB2 1.800 . 3.500 2.387 2.093 2.665 . 0 0 "[ . 1 . 2]" 1 1322 1 103 LEU H 1 103 LEU HB3 1.800 . 3.500 3.547 3.350 3.620 0.120 7 0 "[ . 1 . 2]" 1 1323 1 103 LEU H 1 103 LEU MD1 1.800 . 5.000 3.269 2.078 4.107 . 0 0 "[ . 1 . 2]" 1 1324 1 103 LEU H 1 103 LEU MD2 1.800 . 5.000 3.095 1.974 4.076 . 0 0 "[ . 1 . 2]" 1 1325 1 103 LEU H 1 103 LEU HG 1.800 . 5.000 2.969 1.959 4.293 . 0 0 "[ . 1 . 2]" 1 1326 1 103 LEU H 1 104 LYS H 1.800 . 3.500 2.767 2.721 2.848 . 0 0 "[ . 1 . 2]" 1 1327 1 103 LEU H 1 105 LYS H 1.800 . 5.000 4.218 4.175 4.270 . 0 0 "[ . 1 . 2]" 1 1328 1 103 LEU HA 1 103 LEU MD1 1.800 . 5.000 3.042 2.101 3.788 . 0 0 "[ . 1 . 2]" 1 1329 1 103 LEU HA 1 103 LEU MD2 1.800 . 5.000 2.545 2.019 3.707 . 0 0 "[ . 1 . 2]" 1 1330 1 103 LEU HA 1 104 LYS H 1.800 . 3.500 3.547 3.536 3.561 0.061 18 0 "[ . 1 . 2]" 1 1331 1 103 LEU HA 1 105 LYS H 1.800 . 5.000 4.222 4.135 4.405 . 0 0 "[ . 1 . 2]" 1 1332 1 103 LEU HA 1 106 ALA H 1.800 . 5.000 3.134 2.894 3.329 . 0 0 "[ . 1 . 2]" 1 1333 1 103 LEU HA 1 106 ALA MB 1.800 . 5.000 2.428 2.229 2.769 . 0 0 "[ . 1 . 2]" 1 1334 1 103 LEU HA 1 107 THR H 1.800 . 5.000 4.617 3.987 4.816 . 0 0 "[ . 1 . 2]" 1 1335 1 103 LEU HB2 1 103 LEU MD1 1.800 . 5.000 2.486 2.230 3.174 . 0 0 "[ . 1 . 2]" 1 1336 1 103 LEU HB2 1 103 LEU MD2 1.800 . 5.000 2.802 2.210 3.196 . 0 0 "[ . 1 . 2]" 1 1337 1 103 LEU HB2 1 104 LYS H 1.800 . 5.000 2.805 2.587 3.165 . 0 0 "[ . 1 . 2]" 1 1338 1 103 LEU HB3 1 103 LEU MD1 1.800 . 5.000 2.567 2.210 3.187 . 0 0 "[ . 1 . 2]" 1 1339 1 103 LEU HB3 1 103 LEU MD2 1.800 . 5.000 2.482 2.276 3.189 . 0 0 "[ . 1 . 2]" 1 1340 1 103 LEU HB3 1 104 LYS H 1.800 . 5.000 3.477 2.976 3.777 . 0 0 "[ . 1 . 2]" 1 1341 1 103 LEU MD1 1 104 LYS H 1.800 . 5.000 4.506 4.172 4.670 . 0 0 "[ . 1 . 2]" 1 1342 1 103 LEU MD1 2 1 HEC HHB 1.800 . 5.000 3.295 2.587 4.338 . 0 0 "[ . 1 . 2]" 1 1343 1 103 LEU MD2 1 104 LYS H 1.800 . 5.000 4.539 4.127 4.768 . 0 0 "[ . 1 . 2]" 1 1344 1 103 LEU MD2 2 1 HEC HHB 1.800 . 5.000 3.502 2.484 4.128 . 0 0 "[ . 1 . 2]" 1 1345 1 104 LYS H 1 104 LYS HA 1.800 . 2.900 2.843 2.838 2.849 . 0 0 "[ . 1 . 2]" 1 1346 1 104 LYS H 1 104 LYS HB2 1.800 . 3.500 2.490 2.424 2.535 . 0 0 "[ . 1 . 2]" 1 1347 1 104 LYS H 1 104 LYS HB3 1.800 . 3.500 2.645 2.614 2.712 . 0 0 "[ . 1 . 2]" 1 1348 1 104 LYS H 1 104 LYS QE 1.800 . 5.000 4.422 4.218 4.899 . 0 0 "[ . 1 . 2]" 1 1349 1 104 LYS H 1 105 LYS H 1.800 . 3.500 2.698 2.677 2.739 . 0 0 "[ . 1 . 2]" 1 1350 1 104 LYS H 1 106 ALA H 1.800 . 5.000 4.088 3.967 4.313 . 0 0 "[ . 1 . 2]" 1 1351 1 104 LYS H 1 106 ALA MB 1.800 . 5.000 4.754 4.649 4.967 . 0 0 "[ . 1 . 2]" 1 1352 1 104 LYS HA 1 105 LYS H 1.800 . 5.000 3.546 3.538 3.560 . 0 0 "[ . 1 . 2]" 1 1353 1 104 LYS HA 1 106 ALA H 1.800 . 5.000 4.240 4.119 4.415 . 0 0 "[ . 1 . 2]" 1 1354 1 104 LYS HA 1 107 THR H 1.800 . 5.000 3.506 3.316 3.576 . 0 0 "[ . 1 . 2]" 1 1355 1 104 LYS HA 1 107 THR HB 1.800 . 5.000 3.434 2.721 4.266 . 0 0 "[ . 1 . 2]" 1 1356 1 104 LYS HA 1 108 GLU H 1.800 . 5.000 4.783 4.235 5.058 0.058 14 0 "[ . 1 . 2]" 1 1357 1 104 LYS HB2 1 105 LYS H 1.800 . 5.000 3.810 3.728 3.895 . 0 0 "[ . 1 . 2]" 1 1358 1 104 LYS HB3 1 105 LYS H 1.800 . 3.500 2.558 2.503 2.643 . 0 0 "[ . 1 . 2]" 1 1359 1 104 LYS QE 1 105 LYS H 1.800 . 5.000 4.233 3.798 5.018 0.018 20 0 "[ . 1 . 2]" 1 1360 1 105 LYS H 1 105 LYS HA 1.800 . 2.900 2.856 2.833 2.881 . 0 0 "[ . 1 . 2]" 1 1361 1 105 LYS H 1 105 LYS HB2 1.800 . 3.500 2.513 2.494 2.608 . 0 0 "[ . 1 . 2]" 1 1362 1 105 LYS H 1 105 LYS HB3 1.800 . 3.500 2.599 2.470 2.642 . 0 0 "[ . 1 . 2]" 1 1363 1 105 LYS H 1 105 LYS QE 1.800 . 5.000 4.391 4.335 4.741 . 0 0 "[ . 1 . 2]" 1 1364 1 105 LYS H 1 106 ALA H 1.800 . 2.900 2.675 2.594 2.787 . 0 0 "[ . 1 . 2]" 1 1365 1 105 LYS H 1 107 THR H 1.800 . 5.000 4.253 3.971 4.393 . 0 0 "[ . 1 . 2]" 1 1366 1 105 LYS HA 1 106 ALA H 1.800 . 3.500 3.543 3.531 3.563 0.063 7 0 "[ . 1 . 2]" 1 1367 1 105 LYS HA 1 107 THR H 1.800 . 5.000 4.183 4.093 4.345 . 0 0 "[ . 1 . 2]" 1 1368 1 105 LYS HA 1 108 GLU H 1.800 . 5.000 3.248 2.993 3.648 . 0 0 "[ . 1 . 2]" 1 1369 1 105 LYS HB2 1 106 ALA H 1.800 . 5.000 3.935 3.879 3.974 . 0 0 "[ . 1 . 2]" 1 1370 1 105 LYS HB3 1 106 ALA H 1.800 . 5.000 2.728 2.624 2.808 . 0 0 "[ . 1 . 2]" 1 1371 1 105 LYS HE2 1 106 ALA H 1.800 . 5.000 4.855 4.654 5.126 0.126 7 0 "[ . 1 . 2]" 1 1372 1 105 LYS HE3 1 106 ALA H 1.800 . 5.000 4.609 4.284 4.872 . 0 0 "[ . 1 . 2]" 1 1373 1 106 ALA H 1 106 ALA MB 1.800 . 3.500 2.089 2.043 2.223 . 0 0 "[ . 1 . 2]" 1 1374 1 106 ALA H 1 107 THR H 1.800 . 3.500 2.714 2.594 2.771 . 0 0 "[ . 1 . 2]" 1 1375 1 106 ALA H 1 107 THR HB 1.800 . 5.000 4.776 4.529 5.008 0.008 2 0 "[ . 1 . 2]" 1 1376 1 106 ALA H 1 108 GLU H 1.800 . 5.000 4.064 3.732 4.331 . 0 0 "[ . 1 . 2]" 1 1377 1 106 ALA HA 1 107 THR H 1.800 . 5.000 3.543 3.502 3.565 . 0 0 "[ . 1 . 2]" 1 1378 1 106 ALA MB 1 107 THR H 1.800 . 3.500 2.727 2.615 2.804 . 0 0 "[ . 1 . 2]" 1 1379 1 106 ALA MB 1 108 GLU H 1.800 . 5.000 4.427 4.213 4.551 . 0 0 "[ . 1 . 2]" 1 1380 1 107 THR H 1 107 THR MG 1.800 . 2.900 2.747 2.375 2.894 . 0 0 "[ . 1 . 2]" 1 1381 1 107 THR H 1 108 GLU H 1.800 . 2.900 2.526 2.241 2.725 . 0 0 "[ . 1 . 2]" 1 1382 1 107 THR HA 1 107 THR MG 1.800 . 3.500 3.119 3.094 3.152 . 0 0 "[ . 1 . 2]" 1 1383 1 107 THR HA 1 108 GLU H 1.800 . 5.000 3.480 3.255 3.537 . 0 0 "[ . 1 . 2]" 1 1384 1 107 THR HB 1 108 GLU H 1.800 . 5.000 3.716 3.560 4.178 . 0 0 "[ . 1 . 2]" 1 1385 1 108 GLU H 1 108 GLU HA 1.800 . 2.900 2.538 2.347 2.938 0.038 5 0 "[ . 1 . 2]" 1 1386 2 1 HEC HAA1 2 1 HEC HHA 1.800 . 5.000 3.807 3.734 3.855 . 0 0 "[ . 1 . 2]" 1 1387 2 1 HEC HAA2 2 1 HEC HHA 1.800 . 5.000 2.369 2.192 2.611 . 0 0 "[ . 1 . 2]" 1 1388 2 1 HEC HAC 2 1 HEC HHD 1.800 . 2.900 2.246 2.205 2.267 . 0 0 "[ . 1 . 2]" 1 1389 2 1 HEC HBA1 2 1 HEC HHA 1.800 . 5.000 2.941 2.366 3.845 . 0 0 "[ . 1 . 2]" 1 stop_ save_
Contact the webmaster for help, if required. Thursday, May 23, 2024 4:26:40 PM GMT (wattos1)