NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
369281 | 1b4c | 4001 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1b4c 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 1634 _Distance_constraint_stats_list.Viol_count 1961 _Distance_constraint_stats_list.Viol_total 1557.624 _Distance_constraint_stats_list.Viol_max 0.222 _Distance_constraint_stats_list.Viol_rms 0.0127 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0022 _Distance_constraint_stats_list.Viol_average_violations_only 0.0378 _Distance_constraint_stats_list.Cutoff_violation_report 0.500 _Distance_constraint_stats_list.Details ; Description of the tags in this list: * 1 * Administrative tag * 2 * Administrative tag * 3 * Administrative tag * 4 * ID of the restraint list. * 5 * Number of restraints in list. * 6 * Number of violated restraints (each model violation is used). * 7 * Sum of violations in Angstrom. * 8 * Maximum violation of a restraint without averaging in any way. * 9 * Rms of violations over all restraints. * 10 * Average violation over all restraints. * 11 * Average violation over violated restraints. This violation is averaged over only those models in which the restraint is violated. These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998). * 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table. * 13 * This tag Description of the tags in the per residue table below: * 1 * Chain identifier (can be absent if none defined) * 2 * Residue number * 3 * Residue name * 4 * Maximum violation in ensemble of models (without any averaging) * 5 * Model number with the maximum violation * 6 * Number of models with a violation above cutoff * 7 * List of models (1 character per model) with a violation above cutoff. An '*' marks a violation above the cutoff. A '+' indicates the largest violation above the cutoff and a '-' marks the smallest violation over cutoff. For models 5, 15, 25,... a ' ' is replaced by a '.'. For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1. * 8 * Administrative tag * 9 * Administrative tag Description of the tags in the per restraint table below: * 1 * Restraint ID within restraint list. First node, FIRST member, first atom's: * 2 * Chain identifier (can be absent if none defined) * 3 * Residue number * 4 * Residue name * 5 * Name of (pseudo-)atom First node, SECOND member, first atom's: * 6 * Chain identifier (can be absent if none defined) * 7 * Residue number * 8 * Residue name * 9 * Name of (pseudo-)atom FIRST node's: * 10 * Target distance value (Angstrom) * 11 * Lower bound distance (Angstrom) * 12 * Upper bound distance (Angstrom) * 13 * Average distance in ensemble of models * 14 * Minimum distance in ensemble of models * 15 * Maximum distance in ensemble of models * 16 * Maximum violation (without any averaging) * 17 * Model number with the maximum violation * 18 * Number of models with a violation above cutoff * 19 * List of models with a violation above cutoff. See description above. * 20 * Administrative tag * 21 * Administrative tag ; loop_ _Distance_constraint_stats_per_res.Atom_entity_assembly_ID _Distance_constraint_stats_per_res.Atom_comp_index_ID _Distance_constraint_stats_per_res.Atom_comp_ID _Distance_constraint_stats_per_res.Total_violation _Distance_constraint_stats_per_res.Max_violation _Distance_constraint_stats_per_res.Max_violation_model_number _Distance_constraint_stats_per_res.Over_cutoff_viol_count _Distance_constraint_stats_per_res.Over_cutoff_viol_per_model 1 2 SER 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 3 GLU 0.037 0.017 6 0 "[ . 1 . 2 ]" 1 4 LEU 0.007 0.004 5 0 "[ . 1 . 2 ]" 1 5 GLU 0.003 0.003 13 0 "[ . 1 . 2 ]" 1 6 LYS 0.012 0.012 4 0 "[ . 1 . 2 ]" 1 7 ALA 0.401 0.061 2 0 "[ . 1 . 2 ]" 1 8 MET 0.763 0.057 8 0 "[ . 1 . 2 ]" 1 9 VAL 1.075 0.074 20 0 "[ . 1 . 2 ]" 1 10 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 11 LEU 4.976 0.182 18 0 "[ . 1 . 2 ]" 1 12 ILE 0.863 0.072 3 0 "[ . 1 . 2 ]" 1 13 ASP 0.568 0.053 9 0 "[ . 1 . 2 ]" 1 14 VAL 5.213 0.182 18 0 "[ . 1 . 2 ]" 1 15 PHE 0.756 0.074 20 0 "[ . 1 . 2 ]" 1 16 HIS 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 17 GLN 0.023 0.012 6 0 "[ . 1 . 2 ]" 1 18 TYR 0.192 0.044 9 0 "[ . 1 . 2 ]" 1 19 SER 0.487 0.068 19 0 "[ . 1 . 2 ]" 1 20 GLY 0.071 0.013 2 0 "[ . 1 . 2 ]" 1 21 ARG 0.071 0.013 2 0 "[ . 1 . 2 ]" 1 22 GLU 0.007 0.007 19 0 "[ . 1 . 2 ]" 1 23 GLY 0.007 0.007 19 0 "[ . 1 . 2 ]" 1 24 ASP 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 25 LYS 0.055 0.055 13 0 "[ . 1 . 2 ]" 1 26 HIS 0.813 0.084 17 0 "[ . 1 . 2 ]" 1 27 LYS 3.071 0.148 10 0 "[ . 1 . 2 ]" 1 28 LEU 0.979 0.074 20 0 "[ . 1 . 2 ]" 1 29 LYS 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 30 LYS 0.426 0.073 6 0 "[ . 1 . 2 ]" 1 31 SER 0.185 0.039 2 0 "[ . 1 . 2 ]" 1 32 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 33 LEU 0.012 0.012 7 0 "[ . 1 . 2 ]" 1 34 LYS 1.432 0.082 16 0 "[ . 1 . 2 ]" 1 35 GLU 1.912 0.082 16 0 "[ . 1 . 2 ]" 1 36 LEU 0.506 0.051 4 0 "[ . 1 . 2 ]" 1 37 ILE 1.178 0.068 13 0 "[ . 1 . 2 ]" 1 38 ASN 0.579 0.044 19 0 "[ . 1 . 2 ]" 1 39 ASN 0.112 0.015 10 0 "[ . 1 . 2 ]" 1 40 GLU 0.044 0.014 3 0 "[ . 1 . 2 ]" 1 41 LEU 0.668 0.067 4 0 "[ . 1 . 2 ]" 1 42 SER 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 43 HIS 0.009 0.009 9 0 "[ . 1 . 2 ]" 1 44 PHE 0.598 0.063 7 0 "[ . 1 . 2 ]" 1 45 LEU 0.506 0.093 20 0 "[ . 1 . 2 ]" 1 46 GLU 1.098 0.055 19 0 "[ . 1 . 2 ]" 1 47 GLU 1.200 0.093 20 0 "[ . 1 . 2 ]" 1 48 ILE 0.468 0.055 7 0 "[ . 1 . 2 ]" 1 49 LYS 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 50 GLU 0.087 0.058 8 0 "[ . 1 . 2 ]" 1 51 GLN 0.047 0.026 9 0 "[ . 1 . 2 ]" 1 52 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 53 VAL 2.553 0.125 7 0 "[ . 1 . 2 ]" 1 54 VAL 0.181 0.041 7 0 "[ . 1 . 2 ]" 1 55 ASP 0.096 0.028 9 0 "[ . 1 . 2 ]" 1 56 LYS 1.584 0.063 1 0 "[ . 1 . 2 ]" 1 57 VAL 1.008 0.063 1 0 "[ . 1 . 2 ]" 1 58 MET 0.679 0.055 5 0 "[ . 1 . 2 ]" 1 59 GLU 1.198 0.074 20 0 "[ . 1 . 2 ]" 1 60 THR 0.337 0.105 20 0 "[ . 1 . 2 ]" 1 61 LEU 0.325 0.062 1 0 "[ . 1 . 2 ]" 1 62 ASP 0.924 0.074 20 0 "[ . 1 . 2 ]" 1 63 GLU 4.860 0.222 19 0 "[ . 1 . 2 ]" 1 64 ASP 5.536 0.222 19 0 "[ . 1 . 2 ]" 1 65 GLY 0.676 0.052 20 0 "[ . 1 . 2 ]" 1 66 ASP 0.307 0.065 4 0 "[ . 1 . 2 ]" 1 67 GLY 0.544 0.073 6 0 "[ . 1 . 2 ]" 1 68 GLU 0.686 0.131 16 0 "[ . 1 . 2 ]" 1 69 CYS 0.247 0.028 4 0 "[ . 1 . 2 ]" 1 70 ASP 0.111 0.052 19 0 "[ . 1 . 2 ]" 1 71 PHE 0.954 0.091 19 0 "[ . 1 . 2 ]" 1 72 GLN 0.055 0.021 19 0 "[ . 1 . 2 ]" 1 73 GLU 0.109 0.017 17 0 "[ . 1 . 2 ]" 1 74 PHE 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 75 MET 0.775 0.059 12 0 "[ . 1 . 2 ]" 1 76 ALA 1.160 0.093 15 0 "[ . 1 . 2 ]" 1 77 PHE 1.113 0.093 15 0 "[ . 1 . 2 ]" 1 78 VAL 0.591 0.077 8 0 "[ . 1 . 2 ]" 1 79 SER 0.025 0.017 8 0 "[ . 1 . 2 ]" 1 80 MET 0.694 0.052 2 0 "[ . 1 . 2 ]" 1 81 VAL 3.627 0.091 4 0 "[ . 1 . 2 ]" 1 82 THR 0.441 0.080 6 0 "[ . 1 . 2 ]" 1 83 THR 0.065 0.037 6 0 "[ . 1 . 2 ]" 1 84 ALA 0.526 0.058 8 0 "[ . 1 . 2 ]" 1 85 CYS 0.946 0.088 3 0 "[ . 1 . 2 ]" 1 88 PHE 0.129 0.065 14 0 "[ . 1 . 2 ]" 1 89 PHE 1.726 0.080 12 0 "[ . 1 . 2 ]" 1 90 GLU 1.696 0.079 4 0 "[ . 1 . 2 ]" 1 91 HIS 0.218 0.038 11 0 "[ . 1 . 2 ]" 1 92 GLU 0.022 0.011 2 0 "[ . 1 . 2 ]" 2 2 SER 0.000 0.000 . 0 "[ . 1 . 2 ]" 2 3 GLU 0.054 0.015 6 0 "[ . 1 . 2 ]" 2 4 LEU 0.017 0.014 5 0 "[ . 1 . 2 ]" 2 5 GLU 0.003 0.003 13 0 "[ . 1 . 2 ]" 2 6 LYS 0.011 0.011 4 0 "[ . 1 . 2 ]" 2 7 ALA 0.409 0.067 2 0 "[ . 1 . 2 ]" 2 8 MET 0.800 0.059 12 0 "[ . 1 . 2 ]" 2 9 VAL 1.287 0.067 4 0 "[ . 1 . 2 ]" 2 10 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]" 2 11 LEU 4.986 0.181 18 0 "[ . 1 . 2 ]" 2 12 ILE 0.871 0.073 3 0 "[ . 1 . 2 ]" 2 13 ASP 0.570 0.053 9 0 "[ . 1 . 2 ]" 2 14 VAL 5.180 0.181 18 0 "[ . 1 . 2 ]" 2 15 PHE 0.750 0.074 20 0 "[ . 1 . 2 ]" 2 16 HIS 0.000 0.000 . 0 "[ . 1 . 2 ]" 2 17 GLN 0.023 0.012 6 0 "[ . 1 . 2 ]" 2 18 TYR 0.198 0.044 9 0 "[ . 1 . 2 ]" 2 19 SER 0.487 0.068 19 0 "[ . 1 . 2 ]" 2 20 GLY 0.071 0.013 2 0 "[ . 1 . 2 ]" 2 21 ARG 0.071 0.013 2 0 "[ . 1 . 2 ]" 2 22 GLU 0.007 0.007 19 0 "[ . 1 . 2 ]" 2 23 GLY 0.007 0.007 19 0 "[ . 1 . 2 ]" 2 24 ASP 0.000 0.000 . 0 "[ . 1 . 2 ]" 2 25 LYS 0.055 0.055 13 0 "[ . 1 . 2 ]" 2 26 HIS 0.808 0.084 17 0 "[ . 1 . 2 ]" 2 27 LYS 3.079 0.149 10 0 "[ . 1 . 2 ]" 2 28 LEU 0.976 0.074 20 0 "[ . 1 . 2 ]" 2 29 LYS 0.000 0.000 . 0 "[ . 1 . 2 ]" 2 30 LYS 0.430 0.073 6 0 "[ . 1 . 2 ]" 2 31 SER 0.183 0.039 2 0 "[ . 1 . 2 ]" 2 32 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]" 2 33 LEU 0.012 0.012 7 0 "[ . 1 . 2 ]" 2 34 LYS 1.428 0.081 16 0 "[ . 1 . 2 ]" 2 35 GLU 1.904 0.081 16 0 "[ . 1 . 2 ]" 2 36 LEU 0.510 0.052 4 0 "[ . 1 . 2 ]" 2 37 ILE 1.179 0.067 13 0 "[ . 1 . 2 ]" 2 38 ASN 0.580 0.044 19 0 "[ . 1 . 2 ]" 2 39 ASN 0.111 0.016 10 0 "[ . 1 . 2 ]" 2 40 GLU 0.042 0.014 3 0 "[ . 1 . 2 ]" 2 41 LEU 0.550 0.074 20 0 "[ . 1 . 2 ]" 2 42 SER 0.000 0.000 . 0 "[ . 1 . 2 ]" 2 43 HIS 0.010 0.010 9 0 "[ . 1 . 2 ]" 2 44 PHE 0.506 0.071 13 0 "[ . 1 . 2 ]" 2 45 LEU 0.506 0.094 20 0 "[ . 1 . 2 ]" 2 46 GLU 1.091 0.055 19 0 "[ . 1 . 2 ]" 2 47 GLU 1.195 0.094 20 0 "[ . 1 . 2 ]" 2 48 ILE 0.470 0.055 7 0 "[ . 1 . 2 ]" 2 49 LYS 0.000 0.000 . 0 "[ . 1 . 2 ]" 2 50 GLU 0.088 0.058 8 0 "[ . 1 . 2 ]" 2 51 GLN 0.046 0.025 9 0 "[ . 1 . 2 ]" 2 52 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]" 2 53 VAL 2.556 0.124 7 0 "[ . 1 . 2 ]" 2 54 VAL 0.179 0.042 7 0 "[ . 1 . 2 ]" 2 55 ASP 0.095 0.029 9 0 "[ . 1 . 2 ]" 2 56 LYS 1.589 0.063 1 0 "[ . 1 . 2 ]" 2 57 VAL 1.009 0.063 1 0 "[ . 1 . 2 ]" 2 58 MET 0.677 0.055 5 0 "[ . 1 . 2 ]" 2 59 GLU 1.199 0.075 20 0 "[ . 1 . 2 ]" 2 60 THR 0.336 0.104 20 0 "[ . 1 . 2 ]" 2 61 LEU 0.320 0.062 1 0 "[ . 1 . 2 ]" 2 62 ASP 0.927 0.075 20 0 "[ . 1 . 2 ]" 2 63 GLU 4.855 0.222 19 0 "[ . 1 . 2 ]" 2 64 ASP 5.343 0.222 19 0 "[ . 1 . 2 ]" 2 65 GLY 0.488 0.044 1 0 "[ . 1 . 2 ]" 2 66 ASP 0.298 0.064 4 0 "[ . 1 . 2 ]" 2 67 GLY 0.538 0.073 6 0 "[ . 1 . 2 ]" 2 68 GLU 0.685 0.129 16 0 "[ . 1 . 2 ]" 2 69 CYS 0.248 0.028 4 0 "[ . 1 . 2 ]" 2 70 ASP 0.109 0.052 19 0 "[ . 1 . 2 ]" 2 71 PHE 1.044 0.078 19 0 "[ . 1 . 2 ]" 2 72 GLN 0.054 0.021 19 0 "[ . 1 . 2 ]" 2 73 GLU 0.113 0.016 17 0 "[ . 1 . 2 ]" 2 74 PHE 0.000 0.000 . 0 "[ . 1 . 2 ]" 2 75 MET 0.748 0.051 12 0 "[ . 1 . 2 ]" 2 76 ALA 1.161 0.093 15 0 "[ . 1 . 2 ]" 2 77 PHE 1.112 0.093 15 0 "[ . 1 . 2 ]" 2 78 VAL 0.585 0.077 8 0 "[ . 1 . 2 ]" 2 79 SER 0.028 0.020 8 0 "[ . 1 . 2 ]" 2 80 MET 0.700 0.052 2 0 "[ . 1 . 2 ]" 2 81 VAL 3.635 0.090 4 0 "[ . 1 . 2 ]" 2 82 THR 0.424 0.080 6 0 "[ . 1 . 2 ]" 2 83 THR 0.035 0.016 6 0 "[ . 1 . 2 ]" 2 84 ALA 0.527 0.058 8 0 "[ . 1 . 2 ]" 2 85 CYS 0.944 0.088 3 0 "[ . 1 . 2 ]" 2 88 PHE 0.128 0.058 14 0 "[ . 1 . 2 ]" 2 89 PHE 1.685 0.091 19 0 "[ . 1 . 2 ]" 2 90 GLU 1.725 0.080 4 0 "[ . 1 . 2 ]" 2 91 HIS 0.218 0.037 11 0 "[ . 1 . 2 ]" 2 92 GLU 0.023 0.012 2 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 GLU H 1 3 GLU QB 1.800 . 2.900 2.412 2.214 2.715 . 0 0 "[ . 1 . 2 ]" 1 2 2 3 GLU H 2 3 GLU QB 1.800 . 2.900 2.412 2.214 2.716 . 0 0 "[ . 1 . 2 ]" 1 3 1 4 LEU H 1 4 LEU QB 1.800 . 2.900 2.173 2.144 2.262 . 0 0 "[ . 1 . 2 ]" 1 4 2 4 LEU H 2 4 LEU QB 1.800 . 2.900 2.173 2.145 2.262 . 0 0 "[ . 1 . 2 ]" 1 5 1 5 GLU H 1 5 GLU QB 1.800 . 3.500 2.437 2.230 2.644 . 0 0 "[ . 1 . 2 ]" 1 6 2 5 GLU H 2 5 GLU QB 1.800 . 3.500 2.437 2.230 2.643 . 0 0 "[ . 1 . 2 ]" 1 7 1 6 LYS H 1 6 LYS QB 1.800 . 2.900 2.376 2.211 2.658 . 0 0 "[ . 1 . 2 ]" 1 8 2 6 LYS H 2 6 LYS QB 1.800 . 2.900 2.376 2.211 2.659 . 0 0 "[ . 1 . 2 ]" 1 9 1 6 LYS H 1 6 LYS QD 1.800 . 5.000 3.992 2.631 4.843 . 0 0 "[ . 1 . 2 ]" 1 10 2 6 LYS H 2 6 LYS QD 1.800 . 5.000 3.992 2.631 4.843 . 0 0 "[ . 1 . 2 ]" 1 11 1 7 ALA H 1 7 ALA MB 1.800 . 2.900 2.125 2.088 2.181 . 0 0 "[ . 1 . 2 ]" 1 12 2 7 ALA H 2 7 ALA MB 1.800 . 2.900 2.125 2.088 2.182 . 0 0 "[ . 1 . 2 ]" 1 13 1 8 MET HA 1 8 MET ME 1.800 . 4.200 2.893 2.326 3.504 . 0 0 "[ . 1 . 2 ]" 1 14 2 8 MET HA 2 8 MET ME 1.800 . 4.200 2.893 2.327 3.505 . 0 0 "[ . 1 . 2 ]" 1 15 1 8 MET H 1 8 MET QB 1.800 . 2.900 2.187 2.090 2.468 . 0 0 "[ . 1 . 2 ]" 1 16 2 8 MET H 2 8 MET QB 1.800 . 2.900 2.187 2.091 2.468 . 0 0 "[ . 1 . 2 ]" 1 17 1 9 VAL H 1 9 VAL HB 1.800 . 2.900 2.689 2.588 2.832 . 0 0 "[ . 1 . 2 ]" 1 18 2 9 VAL H 2 9 VAL HB 1.800 . 2.900 2.688 2.588 2.832 . 0 0 "[ . 1 . 2 ]" 1 19 1 10 ALA H 1 10 ALA MB 1.800 . 2.900 2.224 2.205 2.245 . 0 0 "[ . 1 . 2 ]" 1 20 2 10 ALA H 2 10 ALA MB 1.800 . 2.900 2.225 2.206 2.246 . 0 0 "[ . 1 . 2 ]" 1 21 1 11 LEU H 1 11 LEU QB 1.800 . 2.900 2.294 2.131 2.484 . 0 0 "[ . 1 . 2 ]" 1 22 2 11 LEU H 2 11 LEU QB 1.800 . 2.900 2.294 2.132 2.483 . 0 0 "[ . 1 . 2 ]" 1 23 1 12 ILE H 1 12 ILE HB 1.800 . 3.500 2.522 2.340 2.717 . 0 0 "[ . 1 . 2 ]" 1 24 2 12 ILE H 2 12 ILE HB 1.800 . 3.500 2.522 2.339 2.716 . 0 0 "[ . 1 . 2 ]" 1 25 1 13 ASP H 1 13 ASP QB 1.800 . 2.900 2.307 2.178 2.652 . 0 0 "[ . 1 . 2 ]" 1 26 2 13 ASP H 2 13 ASP QB 1.800 . 2.900 2.307 2.178 2.652 . 0 0 "[ . 1 . 2 ]" 1 27 1 14 VAL H 1 14 VAL HA 1.800 . 2.900 2.913 2.903 2.924 0.024 1 0 "[ . 1 . 2 ]" 1 28 2 14 VAL H 2 14 VAL HA 1.800 . 2.900 2.914 2.904 2.925 0.025 1 0 "[ . 1 . 2 ]" 1 29 1 14 VAL H 1 14 VAL HB 1.800 . 2.900 2.462 2.385 2.547 . 0 0 "[ . 1 . 2 ]" 1 30 2 14 VAL H 2 14 VAL HB 1.800 . 2.900 2.462 2.385 2.545 . 0 0 "[ . 1 . 2 ]" 1 31 1 15 PHE H 1 15 PHE QB 1.800 . 2.900 2.309 2.289 2.327 . 0 0 "[ . 1 . 2 ]" 1 32 2 15 PHE H 2 15 PHE QB 1.800 . 2.900 2.309 2.289 2.328 . 0 0 "[ . 1 . 2 ]" 1 33 1 15 PHE H 1 15 PHE QD 1.800 . 5.000 4.224 4.215 4.239 . 0 0 "[ . 1 . 2 ]" 1 34 2 15 PHE H 2 15 PHE QD 1.800 . 5.000 4.224 4.214 4.239 . 0 0 "[ . 1 . 2 ]" 1 35 1 16 HIS H 1 16 HIS QB 1.800 . 3.500 2.298 2.250 2.421 . 0 0 "[ . 1 . 2 ]" 1 36 2 16 HIS H 2 16 HIS QB 1.800 . 3.500 2.298 2.250 2.421 . 0 0 "[ . 1 . 2 ]" 1 37 1 17 GLN H 1 17 GLN QB 1.800 . 2.900 2.265 2.206 2.416 . 0 0 "[ . 1 . 2 ]" 1 38 2 17 GLN H 2 17 GLN QB 1.800 . 2.900 2.265 2.207 2.416 . 0 0 "[ . 1 . 2 ]" 1 39 1 18 TYR H 1 18 TYR HA 1.800 . 2.900 2.893 2.888 2.902 0.002 16 0 "[ . 1 . 2 ]" 1 40 2 18 TYR H 2 18 TYR HA 1.800 . 2.900 2.894 2.887 2.903 0.003 16 0 "[ . 1 . 2 ]" 1 41 1 18 TYR H 1 18 TYR QB 1.800 . 2.900 2.287 2.253 2.334 . 0 0 "[ . 1 . 2 ]" 1 42 2 18 TYR H 2 18 TYR QB 1.800 . 2.900 2.287 2.253 2.335 . 0 0 "[ . 1 . 2 ]" 1 43 1 21 ARG H 1 21 ARG QB 1.800 . 3.500 2.468 2.238 2.831 . 0 0 "[ . 1 . 2 ]" 1 44 2 21 ARG H 2 21 ARG QB 1.800 . 3.500 2.469 2.238 2.831 . 0 0 "[ . 1 . 2 ]" 1 45 1 24 ASP H 1 24 ASP QB 1.800 . 3.500 2.367 2.261 2.556 . 0 0 "[ . 1 . 2 ]" 1 46 2 24 ASP H 2 24 ASP QB 1.800 . 3.500 2.367 2.261 2.555 . 0 0 "[ . 1 . 2 ]" 1 47 1 25 LYS H 1 25 LYS QB 1.800 . 2.900 2.532 2.289 2.955 0.055 13 0 "[ . 1 . 2 ]" 1 48 2 25 LYS H 2 25 LYS QB 1.800 . 2.900 2.532 2.289 2.955 0.055 13 0 "[ . 1 . 2 ]" 1 49 1 26 HIS H 1 26 HIS QB 1.800 . 2.900 2.763 2.394 2.969 0.069 12 0 "[ . 1 . 2 ]" 1 50 2 26 HIS H 2 26 HIS QB 1.800 . 2.900 2.763 2.394 2.969 0.069 12 0 "[ . 1 . 2 ]" 1 51 1 27 LYS H 1 27 LYS HA 1.800 . 2.900 2.986 2.979 2.991 0.091 19 0 "[ . 1 . 2 ]" 1 52 2 27 LYS H 2 27 LYS HA 1.800 . 2.900 2.986 2.979 2.991 0.091 19 0 "[ . 1 . 2 ]" 1 53 1 27 LYS H 1 27 LYS QB 1.800 . 2.900 2.713 2.581 3.048 0.148 10 0 "[ . 1 . 2 ]" 1 54 2 27 LYS H 2 27 LYS QB 1.800 . 2.900 2.713 2.581 3.049 0.149 10 0 "[ . 1 . 2 ]" 1 55 1 28 LEU HA 1 28 LEU QD 1.800 . 3.300 2.179 2.113 2.264 . 0 0 "[ . 1 . 2 ]" 1 56 2 28 LEU HA 2 28 LEU QD 1.800 . 3.300 2.180 2.114 2.264 . 0 0 "[ . 1 . 2 ]" 1 57 1 28 LEU H 1 28 LEU QB 1.800 . 3.500 2.525 2.415 2.553 . 0 0 "[ . 1 . 2 ]" 1 58 2 28 LEU H 2 28 LEU QB 1.800 . 3.500 2.525 2.415 2.554 . 0 0 "[ . 1 . 2 ]" 1 59 1 28 LEU H 1 28 LEU QD 1.800 . 4.200 3.913 3.636 3.965 . 0 0 "[ . 1 . 2 ]" 1 60 2 28 LEU H 2 28 LEU QD 1.800 . 4.200 3.913 3.636 3.964 . 0 0 "[ . 1 . 2 ]" 1 61 1 29 LYS H 1 29 LYS QB 1.800 . 3.500 2.414 2.337 2.615 . 0 0 "[ . 1 . 2 ]" 1 62 2 29 LYS H 2 29 LYS QB 1.800 . 3.500 2.414 2.337 2.615 . 0 0 "[ . 1 . 2 ]" 1 63 1 30 LYS H 1 30 LYS QB 1.800 . 2.900 2.545 2.344 2.723 . 0 0 "[ . 1 . 2 ]" 1 64 2 30 LYS H 2 30 LYS QB 1.800 . 2.900 2.544 2.343 2.723 . 0 0 "[ . 1 . 2 ]" 1 65 1 31 SER H 1 31 SER HA 1.800 . 2.900 2.823 2.810 2.843 . 0 0 "[ . 1 . 2 ]" 1 66 2 31 SER H 2 31 SER HA 1.800 . 2.900 2.823 2.810 2.842 . 0 0 "[ . 1 . 2 ]" 1 67 1 31 SER H 1 31 SER QB 1.800 . 2.900 2.418 2.190 2.674 . 0 0 "[ . 1 . 2 ]" 1 68 2 31 SER H 2 31 SER QB 1.800 . 2.900 2.418 2.190 2.675 . 0 0 "[ . 1 . 2 ]" 1 69 1 32 GLU H 1 32 GLU QB 1.800 . 3.500 2.430 2.269 2.620 . 0 0 "[ . 1 . 2 ]" 1 70 2 32 GLU H 2 32 GLU QB 1.800 . 3.500 2.431 2.269 2.620 . 0 0 "[ . 1 . 2 ]" 1 71 1 33 LEU HA 1 33 LEU QD 1.800 . 4.200 2.323 2.086 2.727 . 0 0 "[ . 1 . 2 ]" 1 72 2 33 LEU HA 2 33 LEU QD 1.800 . 4.200 2.323 2.085 2.727 . 0 0 "[ . 1 . 2 ]" 1 73 1 33 LEU H 1 33 LEU QB 1.800 . 3.500 2.227 2.159 2.282 . 0 0 "[ . 1 . 2 ]" 1 74 2 33 LEU H 2 33 LEU QB 1.800 . 3.500 2.227 2.158 2.282 . 0 0 "[ . 1 . 2 ]" 1 75 1 33 LEU H 1 33 LEU QD 1.800 . 5.000 3.754 3.671 3.786 . 0 0 "[ . 1 . 2 ]" 1 76 2 33 LEU H 2 33 LEU QD 1.800 . 5.000 3.754 3.670 3.786 . 0 0 "[ . 1 . 2 ]" 1 77 1 34 LYS H 1 34 LYS QB 1.800 . 3.500 2.282 2.182 2.414 . 0 0 "[ . 1 . 2 ]" 1 78 2 34 LYS H 2 34 LYS QB 1.800 . 3.500 2.282 2.181 2.414 . 0 0 "[ . 1 . 2 ]" 1 79 1 35 GLU H 1 35 GLU QB 1.800 . 3.500 2.436 2.256 2.628 . 0 0 "[ . 1 . 2 ]" 1 80 2 35 GLU H 2 35 GLU QB 1.800 . 3.500 2.436 2.256 2.627 . 0 0 "[ . 1 . 2 ]" 1 81 1 36 LEU HA 1 36 LEU QD 1.800 . 3.500 2.265 1.981 3.032 . 0 0 "[ . 1 . 2 ]" 1 82 2 36 LEU HA 2 36 LEU QD 1.800 . 3.500 2.265 1.981 3.031 . 0 0 "[ . 1 . 2 ]" 1 83 1 36 LEU H 1 36 LEU QB 1.800 . 3.500 2.233 2.080 2.301 . 0 0 "[ . 1 . 2 ]" 1 84 2 36 LEU H 2 36 LEU QB 1.800 . 3.500 2.234 2.081 2.301 . 0 0 "[ . 1 . 2 ]" 1 85 1 37 ILE HA 1 37 ILE MD 1.800 . 5.000 3.705 2.259 3.811 . 0 0 "[ . 1 . 2 ]" 1 86 2 37 ILE HA 2 37 ILE MD 1.800 . 5.000 3.705 2.259 3.811 . 0 0 "[ . 1 . 2 ]" 1 87 1 37 ILE H 1 37 ILE HB 1.800 . 3.500 2.509 2.321 2.686 . 0 0 "[ . 1 . 2 ]" 1 88 2 37 ILE H 2 37 ILE HB 1.800 . 3.500 2.509 2.320 2.686 . 0 0 "[ . 1 . 2 ]" 1 89 1 37 ILE H 1 37 ILE MD 1.800 . 6.000 3.513 3.440 3.573 . 0 0 "[ . 1 . 2 ]" 1 90 2 37 ILE H 2 37 ILE MD 1.800 . 6.000 3.513 3.439 3.572 . 0 0 "[ . 1 . 2 ]" 1 91 1 38 ASN H 1 38 ASN QB 1.800 . 3.500 2.348 2.248 2.622 . 0 0 "[ . 1 . 2 ]" 1 92 2 38 ASN H 2 38 ASN QB 1.800 . 3.500 2.348 2.248 2.622 . 0 0 "[ . 1 . 2 ]" 1 93 1 39 ASN H 1 39 ASN QB 1.800 . 3.500 2.423 2.294 2.589 . 0 0 "[ . 1 . 2 ]" 1 94 2 39 ASN H 2 39 ASN QB 1.800 . 3.500 2.423 2.293 2.589 . 0 0 "[ . 1 . 2 ]" 1 95 1 40 GLU H 1 40 GLU QB 1.800 . 3.500 2.463 2.304 2.578 . 0 0 "[ . 1 . 2 ]" 1 96 2 40 GLU H 2 40 GLU QB 1.800 . 3.500 2.463 2.304 2.577 . 0 0 "[ . 1 . 2 ]" 1 97 1 41 LEU HA 1 41 LEU QD 1.800 . 3.300 2.190 1.972 2.267 . 0 0 "[ . 1 . 2 ]" 1 98 2 41 LEU HA 2 41 LEU QD 1.800 . 3.300 2.190 1.972 2.267 . 0 0 "[ . 1 . 2 ]" 1 99 1 41 LEU H 1 41 LEU QB 1.800 . 3.500 2.486 2.347 2.672 . 0 0 "[ . 1 . 2 ]" 1 100 2 41 LEU H 2 41 LEU QB 1.800 . 3.500 2.486 2.347 2.671 . 0 0 "[ . 1 . 2 ]" 1 101 1 41 LEU H 1 41 LEU QD 1.800 . 5.000 3.176 2.581 3.633 . 0 0 "[ . 1 . 2 ]" 1 102 2 41 LEU H 2 41 LEU QD 1.800 . 5.000 3.176 2.582 3.633 . 0 0 "[ . 1 . 2 ]" 1 103 1 42 SER H 1 42 SER QB 1.800 . 2.900 2.350 2.137 2.739 . 0 0 "[ . 1 . 2 ]" 1 104 2 42 SER H 2 42 SER QB 1.800 . 2.900 2.350 2.138 2.739 . 0 0 "[ . 1 . 2 ]" 1 105 1 44 PHE H 1 44 PHE QB 1.800 . 3.500 2.359 2.082 2.497 . 0 0 "[ . 1 . 2 ]" 1 106 2 44 PHE H 2 44 PHE QB 1.800 . 3.500 2.359 2.082 2.498 . 0 0 "[ . 1 . 2 ]" 1 107 1 44 PHE H 1 44 PHE QD 1.800 . 5.000 2.368 1.993 3.591 . 0 0 "[ . 1 . 2 ]" 1 108 2 44 PHE H 2 44 PHE QD 1.800 . 5.000 2.367 1.993 3.590 . 0 0 "[ . 1 . 2 ]" 1 109 1 45 LEU H 1 45 LEU QB 1.800 . 2.900 2.148 2.051 2.281 . 0 0 "[ . 1 . 2 ]" 1 110 2 45 LEU H 2 45 LEU QB 1.800 . 2.900 2.148 2.051 2.282 . 0 0 "[ . 1 . 2 ]" 1 111 1 46 GLU H 1 46 GLU HA 1.800 . 2.900 2.899 2.806 2.934 0.034 2 0 "[ . 1 . 2 ]" 1 112 2 46 GLU H 2 46 GLU HA 1.800 . 2.900 2.899 2.806 2.934 0.034 2 0 "[ . 1 . 2 ]" 1 113 1 46 GLU H 1 46 GLU QB 1.800 . 2.900 2.329 2.227 2.566 . 0 0 "[ . 1 . 2 ]" 1 114 2 46 GLU H 2 46 GLU QB 1.800 . 2.900 2.329 2.228 2.568 . 0 0 "[ . 1 . 2 ]" 1 115 1 47 GLU H 1 47 GLU QB 1.800 . 3.500 2.421 2.293 2.620 . 0 0 "[ . 1 . 2 ]" 1 116 2 47 GLU H 2 47 GLU QB 1.800 . 3.500 2.421 2.293 2.620 . 0 0 "[ . 1 . 2 ]" 1 117 1 50 GLU H 1 50 GLU QB 1.800 . 2.900 2.459 2.263 2.658 . 0 0 "[ . 1 . 2 ]" 1 118 2 50 GLU H 2 50 GLU QB 1.800 . 2.900 2.459 2.264 2.658 . 0 0 "[ . 1 . 2 ]" 1 119 1 51 GLN H 1 51 GLN QB 1.800 . 3.500 2.434 2.248 2.680 . 0 0 "[ . 1 . 2 ]" 1 120 2 51 GLN H 2 51 GLN QB 1.800 . 3.500 2.434 2.249 2.680 . 0 0 "[ . 1 . 2 ]" 1 121 1 52 GLU H 1 52 GLU QB 1.800 . 3.500 2.471 2.290 2.705 . 0 0 "[ . 1 . 2 ]" 1 122 2 52 GLU H 2 52 GLU QB 1.800 . 3.500 2.471 2.290 2.705 . 0 0 "[ . 1 . 2 ]" 1 123 1 53 VAL H 1 53 VAL HB 1.800 . 3.500 2.573 2.359 3.625 0.125 7 0 "[ . 1 . 2 ]" 1 124 2 53 VAL H 2 53 VAL HB 1.800 . 3.500 2.573 2.358 3.624 0.124 7 0 "[ . 1 . 2 ]" 1 125 1 54 VAL H 1 54 VAL HB 1.800 . 3.500 2.483 2.424 2.600 . 0 0 "[ . 1 . 2 ]" 1 126 2 54 VAL H 2 54 VAL HB 1.800 . 3.500 2.483 2.425 2.601 . 0 0 "[ . 1 . 2 ]" 1 127 1 55 ASP H 1 55 ASP QB 1.800 . 3.500 2.346 2.246 2.478 . 0 0 "[ . 1 . 2 ]" 1 128 2 55 ASP H 2 55 ASP QB 1.800 . 3.500 2.346 2.246 2.478 . 0 0 "[ . 1 . 2 ]" 1 129 1 56 LYS H 1 56 LYS QB 1.800 . 3.500 2.371 2.280 2.519 . 0 0 "[ . 1 . 2 ]" 1 130 2 56 LYS H 2 56 LYS QB 1.800 . 3.500 2.371 2.280 2.519 . 0 0 "[ . 1 . 2 ]" 1 131 1 57 VAL H 1 57 VAL HB 1.800 . 3.500 2.414 2.313 2.494 . 0 0 "[ . 1 . 2 ]" 1 132 2 57 VAL H 2 57 VAL HB 1.800 . 3.500 2.414 2.312 2.495 . 0 0 "[ . 1 . 2 ]" 1 133 1 58 MET H 1 58 MET QB 1.800 . 3.500 2.408 2.222 2.560 . 0 0 "[ . 1 . 2 ]" 1 134 2 58 MET H 2 58 MET QB 1.800 . 3.500 2.407 2.221 2.560 . 0 0 "[ . 1 . 2 ]" 1 135 1 59 GLU H 1 59 GLU QB 1.800 . 3.500 2.371 2.312 2.515 . 0 0 "[ . 1 . 2 ]" 1 136 2 59 GLU H 2 59 GLU QB 1.800 . 3.500 2.371 2.312 2.515 . 0 0 "[ . 1 . 2 ]" 1 137 1 60 THR H 1 60 THR HB 1.800 . 3.500 2.919 2.573 3.605 0.105 20 0 "[ . 1 . 2 ]" 1 138 2 60 THR H 2 60 THR HB 1.800 . 3.500 2.919 2.573 3.604 0.104 20 0 "[ . 1 . 2 ]" 1 139 1 62 ASP H 1 62 ASP QB 1.800 . 3.500 2.343 2.237 2.508 . 0 0 "[ . 1 . 2 ]" 1 140 2 62 ASP H 2 62 ASP QB 1.800 . 3.500 2.343 2.237 2.508 . 0 0 "[ . 1 . 2 ]" 1 141 1 63 GLU H 1 63 GLU HA 1.800 . 3.000 2.987 2.982 2.991 . 0 0 "[ . 1 . 2 ]" 1 142 2 63 GLU H 2 63 GLU HA 1.800 . 3.000 2.989 2.984 2.992 . 0 0 "[ . 1 . 2 ]" 1 143 1 63 GLU H 1 63 GLU QB 1.800 . 3.000 2.329 2.298 2.358 . 0 0 "[ . 1 . 2 ]" 1 144 2 63 GLU H 2 63 GLU QB 1.800 . 3.000 2.328 2.299 2.356 . 0 0 "[ . 1 . 2 ]" 1 145 1 63 GLU H 1 63 GLU QG 1.800 . 3.000 2.771 2.700 2.866 . 0 0 "[ . 1 . 2 ]" 1 146 2 63 GLU H 2 63 GLU QG 1.800 . 3.000 2.771 2.700 2.867 . 0 0 "[ . 1 . 2 ]" 1 147 1 64 ASP H 1 64 ASP HA 1.800 . 3.000 2.776 2.767 2.789 . 0 0 "[ . 1 . 2 ]" 1 148 2 64 ASP H 2 64 ASP HA 1.800 . 3.000 2.771 2.761 2.779 . 0 0 "[ . 1 . 2 ]" 1 149 1 64 ASP H 1 64 ASP QB 1.800 . 3.000 2.314 2.218 2.515 . 0 0 "[ . 1 . 2 ]" 1 150 2 64 ASP H 2 64 ASP QB 1.800 . 3.000 2.315 2.218 2.518 . 0 0 "[ . 1 . 2 ]" 1 151 1 66 ASP H 1 66 ASP QB 1.800 . 3.000 2.654 2.391 2.974 . 0 0 "[ . 1 . 2 ]" 1 152 2 66 ASP H 2 66 ASP QB 1.800 . 3.000 2.653 2.391 2.973 . 0 0 "[ . 1 . 2 ]" 1 153 1 68 GLU H 1 68 GLU QB 1.800 . 3.000 2.856 2.686 3.131 0.131 16 0 "[ . 1 . 2 ]" 1 154 2 68 GLU H 2 68 GLU QB 1.800 . 3.000 2.855 2.686 3.129 0.129 16 0 "[ . 1 . 2 ]" 1 155 1 68 GLU HA 1 68 GLU QG 1.800 . 5.000 2.616 2.254 3.512 . 0 0 "[ . 1 . 2 ]" 1 156 2 68 GLU HA 2 68 GLU QG 1.800 . 5.000 2.616 2.254 3.511 . 0 0 "[ . 1 . 2 ]" 1 157 1 69 CYS H 1 69 CYS HA 1.800 . 3.000 2.994 2.987 3.000 . 0 0 "[ . 1 . 2 ]" 1 158 2 69 CYS H 2 69 CYS HA 1.800 . 3.000 2.994 2.987 2.999 . 0 0 "[ . 1 . 2 ]" 1 159 1 69 CYS H 1 69 CYS QB 1.800 . 2.900 2.607 2.301 2.769 . 0 0 "[ . 1 . 2 ]" 1 160 2 69 CYS H 2 69 CYS QB 1.800 . 2.900 2.607 2.300 2.768 . 0 0 "[ . 1 . 2 ]" 1 161 1 70 ASP H 1 70 ASP HA 1.800 . 3.000 2.937 2.929 2.945 . 0 0 "[ . 1 . 2 ]" 1 162 2 70 ASP H 2 70 ASP HA 1.800 . 3.000 2.937 2.928 2.945 . 0 0 "[ . 1 . 2 ]" 1 163 1 70 ASP H 1 70 ASP QB 1.800 . 3.000 2.451 2.298 2.770 . 0 0 "[ . 1 . 2 ]" 1 164 2 70 ASP H 2 70 ASP QB 1.800 . 3.000 2.451 2.298 2.771 . 0 0 "[ . 1 . 2 ]" 1 165 1 71 PHE H 1 71 PHE QB 1.800 . 3.000 2.284 2.244 2.306 . 0 0 "[ . 1 . 2 ]" 1 166 2 71 PHE H 2 71 PHE QB 1.800 . 3.000 2.284 2.243 2.306 . 0 0 "[ . 1 . 2 ]" 1 167 1 71 PHE H 1 71 PHE QD 1.800 . 6.000 4.216 4.193 4.229 . 0 0 "[ . 1 . 2 ]" 1 168 2 71 PHE H 2 71 PHE QD 1.800 . 6.000 4.216 4.193 4.229 . 0 0 "[ . 1 . 2 ]" 1 169 1 71 PHE HA 1 71 PHE QD 1.800 . 6.000 3.099 3.070 3.125 . 0 0 "[ . 1 . 2 ]" 1 170 2 71 PHE HA 2 71 PHE QD 1.800 . 6.000 3.098 3.070 3.125 . 0 0 "[ . 1 . 2 ]" 1 171 1 72 GLN H 1 72 GLN HA 1.800 . 2.900 2.855 2.822 2.887 . 0 0 "[ . 1 . 2 ]" 1 172 2 72 GLN H 2 72 GLN HA 1.800 . 2.900 2.855 2.822 2.886 . 0 0 "[ . 1 . 2 ]" 1 173 1 72 GLN H 1 72 GLN QB 1.800 . 2.900 2.336 2.229 2.599 . 0 0 "[ . 1 . 2 ]" 1 174 2 72 GLN H 2 72 GLN QB 1.800 . 2.900 2.336 2.228 2.598 . 0 0 "[ . 1 . 2 ]" 1 175 1 72 GLN HA 1 72 GLN QE 1.800 . 6.000 4.035 2.770 4.874 . 0 0 "[ . 1 . 2 ]" 1 176 2 72 GLN HA 2 72 GLN QE 1.800 . 6.000 4.035 2.770 4.873 . 0 0 "[ . 1 . 2 ]" 1 177 1 72 GLN HA 1 72 GLN QG 1.800 . 3.500 2.490 2.266 3.124 . 0 0 "[ . 1 . 2 ]" 1 178 2 72 GLN HA 2 72 GLN QG 1.800 . 3.500 2.491 2.266 3.125 . 0 0 "[ . 1 . 2 ]" 1 179 1 73 GLU H 1 73 GLU HA 1.800 . 2.900 2.904 2.888 2.908 0.008 15 0 "[ . 1 . 2 ]" 1 180 2 73 GLU H 2 73 GLU HA 1.800 . 2.900 2.904 2.888 2.909 0.009 16 0 "[ . 1 . 2 ]" 1 181 1 73 GLU H 1 73 GLU QB 1.800 . 3.000 2.429 2.239 2.647 . 0 0 "[ . 1 . 2 ]" 1 182 2 73 GLU H 2 73 GLU QB 1.800 . 3.000 2.429 2.239 2.648 . 0 0 "[ . 1 . 2 ]" 1 183 1 73 GLU H 1 73 GLU QG 1.800 . 3.500 2.356 1.852 3.476 . 0 0 "[ . 1 . 2 ]" 1 184 2 73 GLU H 2 73 GLU QG 1.800 . 3.500 2.356 1.852 3.476 . 0 0 "[ . 1 . 2 ]" 1 185 1 73 GLU HA 1 73 GLU QG 1.800 . 3.500 2.502 2.290 2.865 . 0 0 "[ . 1 . 2 ]" 1 186 2 73 GLU HA 2 73 GLU QG 1.800 . 3.500 2.502 2.290 2.865 . 0 0 "[ . 1 . 2 ]" 1 187 1 74 PHE H 1 74 PHE QB 1.800 . 3.500 2.249 2.175 2.293 . 0 0 "[ . 1 . 2 ]" 1 188 2 74 PHE H 2 74 PHE QB 1.800 . 3.500 2.249 2.175 2.293 . 0 0 "[ . 1 . 2 ]" 1 189 1 75 MET H 1 75 MET QB 1.800 . 3.500 2.264 2.159 2.587 . 0 0 "[ . 1 . 2 ]" 1 190 2 75 MET H 2 75 MET QB 1.800 . 3.500 2.264 2.160 2.586 . 0 0 "[ . 1 . 2 ]" 1 191 1 76 ALA H 1 76 ALA MB 1.800 . 3.500 2.216 2.183 2.240 . 0 0 "[ . 1 . 2 ]" 1 192 2 76 ALA H 2 76 ALA MB 1.800 . 3.500 2.215 2.184 2.240 . 0 0 "[ . 1 . 2 ]" 1 193 1 77 PHE H 1 77 PHE QB 1.800 . 3.500 2.288 2.187 2.459 . 0 0 "[ . 1 . 2 ]" 1 194 2 77 PHE H 2 77 PHE QB 1.800 . 3.500 2.288 2.187 2.458 . 0 0 "[ . 1 . 2 ]" 1 195 1 78 VAL H 1 78 VAL HA 1.800 . 2.900 2.883 2.860 2.897 . 0 0 "[ . 1 . 2 ]" 1 196 2 78 VAL H 2 78 VAL HA 1.800 . 2.900 2.883 2.860 2.897 . 0 0 "[ . 1 . 2 ]" 1 197 1 78 VAL H 1 78 VAL HB 1.800 . 2.900 2.361 2.302 2.418 . 0 0 "[ . 1 . 2 ]" 1 198 2 78 VAL H 2 78 VAL HB 1.800 . 2.900 2.361 2.302 2.418 . 0 0 "[ . 1 . 2 ]" 1 199 1 79 SER H 1 79 SER HA 1.800 . 2.900 2.886 2.871 2.896 . 0 0 "[ . 1 . 2 ]" 1 200 2 79 SER H 2 79 SER HA 1.800 . 2.900 2.885 2.869 2.895 . 0 0 "[ . 1 . 2 ]" 1 201 1 79 SER H 1 79 SER QB 1.800 . 2.900 2.328 2.194 2.696 . 0 0 "[ . 1 . 2 ]" 1 202 2 79 SER H 2 79 SER QB 1.800 . 2.900 2.328 2.194 2.696 . 0 0 "[ . 1 . 2 ]" 1 203 1 80 MET H 1 80 MET HA 1.800 . 2.900 2.787 2.777 2.807 . 0 0 "[ . 1 . 2 ]" 1 204 2 80 MET H 2 80 MET HA 1.800 . 2.900 2.787 2.777 2.808 . 0 0 "[ . 1 . 2 ]" 1 205 1 80 MET H 1 80 MET QB 1.800 . 2.900 2.438 2.206 2.628 . 0 0 "[ . 1 . 2 ]" 1 206 2 80 MET H 2 80 MET QB 1.800 . 2.900 2.438 2.207 2.628 . 0 0 "[ . 1 . 2 ]" 1 207 1 81 VAL H 1 81 VAL HA 1.800 . 2.900 2.882 2.816 2.911 0.011 6 0 "[ . 1 . 2 ]" 1 208 2 81 VAL H 2 81 VAL HA 1.800 . 2.900 2.882 2.817 2.911 0.011 6 0 "[ . 1 . 2 ]" 1 209 1 81 VAL H 1 81 VAL HB 1.800 . 2.900 2.517 2.431 2.639 . 0 0 "[ . 1 . 2 ]" 1 210 2 81 VAL H 2 81 VAL HB 1.800 . 2.900 2.518 2.431 2.639 . 0 0 "[ . 1 . 2 ]" 1 211 1 82 THR H 1 82 THR HB 1.800 . 3.500 2.888 2.592 3.580 0.080 6 0 "[ . 1 . 2 ]" 1 212 2 82 THR H 2 82 THR HB 1.800 . 3.500 2.889 2.592 3.580 0.080 6 0 "[ . 1 . 2 ]" 1 213 1 84 ALA H 1 84 ALA MB 1.800 . 2.900 2.242 2.188 2.278 . 0 0 "[ . 1 . 2 ]" 1 214 2 84 ALA H 2 84 ALA MB 1.800 . 2.900 2.242 2.189 2.278 . 0 0 "[ . 1 . 2 ]" 1 215 1 89 PHE H 1 89 PHE HA 1.800 . 2.900 2.853 2.803 2.980 0.080 12 0 "[ . 1 . 2 ]" 1 216 2 89 PHE H 2 89 PHE HA 1.800 . 2.900 2.847 2.802 2.975 0.075 12 0 "[ . 1 . 2 ]" 1 217 1 89 PHE H 1 89 PHE QB 1.800 . 3.500 2.590 2.115 2.789 . 0 0 "[ . 1 . 2 ]" 1 218 2 89 PHE H 2 89 PHE QB 1.800 . 3.500 2.589 2.114 2.789 . 0 0 "[ . 1 . 2 ]" 1 219 1 90 GLU H 1 90 GLU HA 1.800 . 2.900 2.955 2.901 2.979 0.079 4 0 "[ . 1 . 2 ]" 1 220 2 90 GLU H 2 90 GLU HA 1.800 . 2.900 2.954 2.901 2.980 0.080 4 0 "[ . 1 . 2 ]" 1 221 1 90 GLU H 1 90 GLU QB 1.800 . 2.900 2.390 2.284 2.598 . 0 0 "[ . 1 . 2 ]" 1 222 2 90 GLU H 2 90 GLU QB 1.800 . 2.900 2.390 2.284 2.599 . 0 0 "[ . 1 . 2 ]" 1 223 1 92 GLU H 1 92 GLU QB 1.800 . 3.500 2.563 2.247 3.397 . 0 0 "[ . 1 . 2 ]" 1 224 2 92 GLU H 2 92 GLU QB 1.800 . 3.500 2.563 2.248 3.396 . 0 0 "[ . 1 . 2 ]" 1 225 1 2 SER H 1 3 GLU H 1.800 . 6.000 4.647 4.599 4.684 . 0 0 "[ . 1 . 2 ]" 1 226 2 2 SER H 2 3 GLU H 1.800 . 6.000 4.647 4.598 4.684 . 0 0 "[ . 1 . 2 ]" 1 227 1 2 SER HA 1 3 GLU H 1.800 . 2.900 2.502 2.447 2.550 . 0 0 "[ . 1 . 2 ]" 1 228 2 2 SER HA 2 3 GLU H 1.800 . 2.900 2.504 2.448 2.551 . 0 0 "[ . 1 . 2 ]" 1 229 1 3 GLU H 1 4 LEU H 1.800 . 2.900 2.714 2.640 2.799 . 0 0 "[ . 1 . 2 ]" 1 230 2 3 GLU H 2 4 LEU H 1.800 . 2.900 2.713 2.639 2.798 . 0 0 "[ . 1 . 2 ]" 1 231 1 3 GLU HA 1 4 LEU H 1.800 . 4.200 3.534 3.520 3.551 . 0 0 "[ . 1 . 2 ]" 1 232 2 3 GLU HA 2 4 LEU H 1.800 . 4.200 3.533 3.520 3.551 . 0 0 "[ . 1 . 2 ]" 1 233 1 3 GLU QB 1 4 LEU H 1.800 . 3.500 2.674 2.578 2.724 . 0 0 "[ . 1 . 2 ]" 1 234 2 3 GLU QB 2 4 LEU H 1.800 . 3.500 2.673 2.577 2.724 . 0 0 "[ . 1 . 2 ]" 1 235 1 4 LEU H 1 5 GLU H 1.800 . 2.900 2.824 2.705 2.903 0.003 13 0 "[ . 1 . 2 ]" 1 236 2 4 LEU H 2 5 GLU H 1.800 . 2.900 2.825 2.704 2.903 0.003 13 0 "[ . 1 . 2 ]" 1 237 1 4 LEU HA 1 5 GLU H 1.800 . 4.200 3.593 3.552 3.606 . 0 0 "[ . 1 . 2 ]" 1 238 2 4 LEU HA 2 5 GLU H 1.800 . 4.200 3.592 3.551 3.605 . 0 0 "[ . 1 . 2 ]" 1 239 1 4 LEU QB 1 5 GLU H 1.800 . 2.900 2.407 2.274 2.578 . 0 0 "[ . 1 . 2 ]" 1 240 2 4 LEU QB 2 5 GLU H 1.800 . 2.900 2.407 2.274 2.577 . 0 0 "[ . 1 . 2 ]" 1 241 1 4 LEU QD 1 5 GLU H 1.800 . 6.000 3.405 3.240 3.745 . 0 0 "[ . 1 . 2 ]" 1 242 2 4 LEU QD 2 5 GLU H 1.800 . 6.000 3.405 3.240 3.745 . 0 0 "[ . 1 . 2 ]" 1 243 1 5 GLU H 1 6 LYS H 1.800 . 2.900 2.840 2.765 2.884 . 0 0 "[ . 1 . 2 ]" 1 244 2 5 GLU H 2 6 LYS H 1.800 . 2.900 2.841 2.767 2.884 . 0 0 "[ . 1 . 2 ]" 1 245 1 5 GLU HA 1 6 LYS H 1.800 . 5.000 3.554 3.546 3.563 . 0 0 "[ . 1 . 2 ]" 1 246 2 5 GLU HA 2 6 LYS H 1.800 . 5.000 3.554 3.547 3.563 . 0 0 "[ . 1 . 2 ]" 1 247 1 5 GLU QB 1 6 LYS H 1.800 . 5.000 2.408 2.338 2.482 . 0 0 "[ . 1 . 2 ]" 1 248 2 5 GLU QB 2 6 LYS H 1.800 . 5.000 2.409 2.339 2.482 . 0 0 "[ . 1 . 2 ]" 1 249 1 6 LYS H 1 7 ALA H 1.800 . 2.900 2.834 2.804 2.882 . 0 0 "[ . 1 . 2 ]" 1 250 2 6 LYS H 2 7 ALA H 1.800 . 2.900 2.834 2.803 2.882 . 0 0 "[ . 1 . 2 ]" 1 251 1 6 LYS HA 1 7 ALA H 1.800 . 4.200 3.546 3.537 3.554 . 0 0 "[ . 1 . 2 ]" 1 252 2 6 LYS HA 2 7 ALA H 1.800 . 4.200 3.546 3.536 3.553 . 0 0 "[ . 1 . 2 ]" 1 253 1 6 LYS QB 1 7 ALA H 1.800 . 2.900 2.426 2.358 2.511 . 0 0 "[ . 1 . 2 ]" 1 254 2 6 LYS QB 2 7 ALA H 1.800 . 2.900 2.426 2.358 2.511 . 0 0 "[ . 1 . 2 ]" 1 255 1 7 ALA H 1 8 MET H 1.800 . 2.900 2.558 2.513 2.650 . 0 0 "[ . 1 . 2 ]" 1 256 2 7 ALA H 2 8 MET H 1.800 . 2.900 2.558 2.512 2.649 . 0 0 "[ . 1 . 2 ]" 1 257 1 7 ALA HA 1 8 MET H 1.800 . 5.000 3.538 3.515 3.584 . 0 0 "[ . 1 . 2 ]" 1 258 2 7 ALA HA 2 8 MET H 1.800 . 5.000 3.539 3.515 3.584 . 0 0 "[ . 1 . 2 ]" 1 259 1 8 MET H 1 9 VAL H 1.800 . 2.900 2.709 2.668 2.780 . 0 0 "[ . 1 . 2 ]" 1 260 2 8 MET H 2 9 VAL H 1.800 . 2.900 2.709 2.668 2.781 . 0 0 "[ . 1 . 2 ]" 1 261 1 8 MET QB 1 9 VAL H 1.800 . 5.000 2.493 2.330 2.628 . 0 0 "[ . 1 . 2 ]" 1 262 2 8 MET QB 2 9 VAL H 1.800 . 5.000 2.493 2.330 2.627 . 0 0 "[ . 1 . 2 ]" 1 263 1 9 VAL H 1 10 ALA H 1.800 . 2.900 2.613 2.536 2.689 . 0 0 "[ . 1 . 2 ]" 1 264 2 9 VAL H 2 10 ALA H 1.800 . 2.900 2.613 2.535 2.688 . 0 0 "[ . 1 . 2 ]" 1 265 1 9 VAL HA 1 10 ALA H 1.800 . 5.000 3.549 3.539 3.562 . 0 0 "[ . 1 . 2 ]" 1 266 2 9 VAL HA 2 10 ALA H 1.800 . 5.000 3.549 3.539 3.561 . 0 0 "[ . 1 . 2 ]" 1 267 1 9 VAL HB 1 10 ALA H 1.800 . 2.900 2.708 2.656 2.767 . 0 0 "[ . 1 . 2 ]" 1 268 2 9 VAL HB 2 10 ALA H 1.800 . 2.900 2.708 2.657 2.767 . 0 0 "[ . 1 . 2 ]" 1 269 1 9 VAL MG2 1 10 ALA H 1.800 . 6.000 3.649 3.473 3.756 . 0 0 "[ . 1 . 2 ]" 1 270 2 9 VAL MG2 2 10 ALA H 1.800 . 6.000 3.649 3.472 3.756 . 0 0 "[ . 1 . 2 ]" 1 271 1 9 VAL MG1 1 10 ALA H 1.800 . 5.000 3.786 3.661 3.914 . 0 0 "[ . 1 . 2 ]" 1 272 2 9 VAL MG1 2 10 ALA H 1.800 . 5.000 3.786 3.660 3.914 . 0 0 "[ . 1 . 2 ]" 1 273 1 10 ALA H 1 11 LEU H 1.800 . 2.900 2.791 2.770 2.817 . 0 0 "[ . 1 . 2 ]" 1 274 2 10 ALA H 2 11 LEU H 1.800 . 2.900 2.791 2.769 2.817 . 0 0 "[ . 1 . 2 ]" 1 275 1 10 ALA HA 1 11 LEU H 1.800 . 5.000 3.572 3.562 3.583 . 0 0 "[ . 1 . 2 ]" 1 276 2 10 ALA HA 2 11 LEU H 1.800 . 5.000 3.572 3.561 3.583 . 0 0 "[ . 1 . 2 ]" 1 277 1 10 ALA MB 1 11 LEU H 1.800 . 2.900 2.298 2.232 2.351 . 0 0 "[ . 1 . 2 ]" 1 278 2 10 ALA MB 2 11 LEU H 1.800 . 2.900 2.298 2.232 2.351 . 0 0 "[ . 1 . 2 ]" 1 279 1 11 LEU H 1 12 ILE H 1.800 . 2.900 2.937 2.910 2.972 0.072 3 0 "[ . 1 . 2 ]" 1 280 2 11 LEU H 2 12 ILE H 1.800 . 2.900 2.937 2.911 2.973 0.073 3 0 "[ . 1 . 2 ]" 1 281 1 11 LEU HA 1 12 ILE H 1.800 . 4.200 3.567 3.550 3.580 . 0 0 "[ . 1 . 2 ]" 1 282 2 11 LEU HA 2 12 ILE H 1.800 . 4.200 3.567 3.551 3.580 . 0 0 "[ . 1 . 2 ]" 1 283 1 12 ILE H 1 13 ASP H 1.800 . 2.900 2.699 2.530 2.889 . 0 0 "[ . 1 . 2 ]" 1 284 2 12 ILE H 2 13 ASP H 1.800 . 2.900 2.699 2.531 2.889 . 0 0 "[ . 1 . 2 ]" 1 285 1 12 ILE HA 1 13 ASP H 1.800 . 5.000 3.554 3.531 3.590 . 0 0 "[ . 1 . 2 ]" 1 286 2 12 ILE HA 2 13 ASP H 1.800 . 5.000 3.554 3.532 3.590 . 0 0 "[ . 1 . 2 ]" 1 287 1 12 ILE HB 1 13 ASP H 1.800 . 2.900 2.610 2.456 2.741 . 0 0 "[ . 1 . 2 ]" 1 288 2 12 ILE HB 2 13 ASP H 1.800 . 2.900 2.610 2.456 2.741 . 0 0 "[ . 1 . 2 ]" 1 289 1 13 ASP H 1 14 VAL H 1.800 . 2.900 2.852 2.671 2.953 0.053 9 0 "[ . 1 . 2 ]" 1 290 2 13 ASP H 2 14 VAL H 1.800 . 2.900 2.853 2.672 2.953 0.053 9 0 "[ . 1 . 2 ]" 1 291 1 13 ASP HA 1 14 VAL H 1.800 . 5.000 3.585 3.572 3.600 . 0 0 "[ . 1 . 2 ]" 1 292 2 13 ASP HA 2 14 VAL H 1.800 . 5.000 3.585 3.571 3.600 . 0 0 "[ . 1 . 2 ]" 1 293 1 13 ASP QB 1 14 VAL H 1.800 . 3.500 2.429 2.150 2.787 . 0 0 "[ . 1 . 2 ]" 1 294 2 13 ASP QB 2 14 VAL H 1.800 . 3.500 2.429 2.150 2.787 . 0 0 "[ . 1 . 2 ]" 1 295 1 14 VAL H 1 15 PHE H 1.800 . 2.900 2.650 2.552 2.727 . 0 0 "[ . 1 . 2 ]" 1 296 2 14 VAL H 2 15 PHE H 1.800 . 2.900 2.650 2.553 2.726 . 0 0 "[ . 1 . 2 ]" 1 297 1 14 VAL HA 1 15 PHE H 1.800 . 4.200 3.567 3.528 3.599 . 0 0 "[ . 1 . 2 ]" 1 298 2 14 VAL HA 2 15 PHE H 1.800 . 4.200 3.567 3.528 3.599 . 0 0 "[ . 1 . 2 ]" 1 299 1 14 VAL HB 1 15 PHE H 1.800 . 2.900 2.735 2.566 2.901 0.001 20 0 "[ . 1 . 2 ]" 1 300 2 14 VAL HB 2 15 PHE H 1.800 . 2.900 2.736 2.566 2.902 0.002 20 0 "[ . 1 . 2 ]" 1 301 1 14 VAL MG1 1 15 PHE H 1.800 . 3.500 3.414 3.247 3.519 0.019 11 0 "[ . 1 . 2 ]" 1 302 2 14 VAL MG1 2 15 PHE H 1.800 . 3.500 3.414 3.246 3.519 0.019 11 0 "[ . 1 . 2 ]" 1 303 1 15 PHE H 1 16 HIS H 1.800 . 5.000 2.665 2.555 2.800 . 0 0 "[ . 1 . 2 ]" 1 304 2 15 PHE H 2 16 HIS H 1.800 . 5.000 2.665 2.554 2.800 . 0 0 "[ . 1 . 2 ]" 1 305 1 15 PHE HA 1 16 HIS H 1.800 . 6.000 3.516 3.502 3.528 . 0 0 "[ . 1 . 2 ]" 1 306 2 15 PHE HA 2 16 HIS H 1.800 . 6.000 3.516 3.503 3.527 . 0 0 "[ . 1 . 2 ]" 1 307 1 15 PHE QB 1 16 HIS H 1.800 . 6.000 2.707 2.665 2.742 . 0 0 "[ . 1 . 2 ]" 1 308 2 15 PHE QB 2 16 HIS H 1.800 . 6.000 2.707 2.665 2.742 . 0 0 "[ . 1 . 2 ]" 1 309 1 16 HIS H 1 17 GLN H 1.800 . 3.500 2.446 2.410 2.536 . 0 0 "[ . 1 . 2 ]" 1 310 2 16 HIS H 2 17 GLN H 1.800 . 3.500 2.446 2.410 2.535 . 0 0 "[ . 1 . 2 ]" 1 311 1 16 HIS HA 1 17 GLN H 1.800 . 5.000 3.517 3.502 3.539 . 0 0 "[ . 1 . 2 ]" 1 312 2 16 HIS HA 2 17 GLN H 1.800 . 5.000 3.518 3.502 3.539 . 0 0 "[ . 1 . 2 ]" 1 313 1 16 HIS QB 1 17 GLN H 1.800 . 6.000 2.752 2.632 2.801 . 0 0 "[ . 1 . 2 ]" 1 314 2 16 HIS QB 2 17 GLN H 1.800 . 6.000 2.752 2.632 2.805 . 0 0 "[ . 1 . 2 ]" 1 315 1 17 GLN H 1 18 TYR H 1.800 . 2.900 2.885 2.858 2.912 0.012 6 0 "[ . 1 . 2 ]" 1 316 2 17 GLN H 2 18 TYR H 1.800 . 2.900 2.885 2.858 2.912 0.012 6 0 "[ . 1 . 2 ]" 1 317 1 17 GLN HA 1 18 TYR H 1.800 . 4.200 3.577 3.570 3.583 . 0 0 "[ . 1 . 2 ]" 1 318 2 17 GLN HA 2 18 TYR H 1.800 . 4.200 3.577 3.569 3.582 . 0 0 "[ . 1 . 2 ]" 1 319 1 17 GLN QB 1 18 TYR H 1.800 . 3.500 2.479 2.448 2.562 . 0 0 "[ . 1 . 2 ]" 1 320 2 17 GLN QB 2 18 TYR H 1.800 . 3.500 2.478 2.447 2.561 . 0 0 "[ . 1 . 2 ]" 1 321 1 17 GLN QB 1 18 TYR QD 1.800 . 5.000 2.473 2.332 2.723 . 0 0 "[ . 1 . 2 ]" 1 322 2 17 GLN QB 2 18 TYR QD 1.800 . 5.000 2.473 2.332 2.722 . 0 0 "[ . 1 . 2 ]" 1 323 1 17 GLN QG 1 18 TYR H 1.800 . 6.000 3.823 3.308 4.334 . 0 0 "[ . 1 . 2 ]" 1 324 2 17 GLN QG 2 18 TYR H 1.800 . 6.000 3.823 3.308 4.333 . 0 0 "[ . 1 . 2 ]" 1 325 1 18 TYR H 1 19 SER HA 1.800 . 6.000 5.278 5.230 5.297 . 0 0 "[ . 1 . 2 ]" 1 326 2 18 TYR H 2 19 SER HA 1.800 . 6.000 5.279 5.231 5.298 . 0 0 "[ . 1 . 2 ]" 1 327 1 18 TYR H 1 19 SER H 1.800 . 2.900 2.605 2.514 2.647 . 0 0 "[ . 1 . 2 ]" 1 328 2 18 TYR H 2 19 SER H 1.800 . 2.900 2.605 2.514 2.647 . 0 0 "[ . 1 . 2 ]" 1 329 1 18 TYR HA 1 19 SER H 1.800 . 5.000 3.566 3.547 3.575 . 0 0 "[ . 1 . 2 ]" 1 330 2 18 TYR HA 2 19 SER H 1.800 . 5.000 3.566 3.547 3.574 . 0 0 "[ . 1 . 2 ]" 1 331 1 18 TYR QB 1 19 SER H 1.800 . 5.000 2.499 2.433 2.604 . 0 0 "[ . 1 . 2 ]" 1 332 2 18 TYR QB 2 19 SER H 1.800 . 5.000 2.499 2.433 2.603 . 0 0 "[ . 1 . 2 ]" 1 333 1 20 GLY H 1 21 ARG H 1.800 . 6.000 1.807 1.787 1.837 0.013 2 0 "[ . 1 . 2 ]" 1 334 2 20 GLY H 2 21 ARG H 1.800 . 6.000 1.807 1.787 1.836 0.013 2 0 "[ . 1 . 2 ]" 1 335 1 21 ARG H 1 22 GLU H 1.800 . 2.900 2.639 2.601 2.692 . 0 0 "[ . 1 . 2 ]" 1 336 2 21 ARG H 2 22 GLU H 1.800 . 2.900 2.638 2.603 2.692 . 0 0 "[ . 1 . 2 ]" 1 337 1 21 ARG HA 1 22 GLU H 1.800 . 5.000 3.537 3.509 3.569 . 0 0 "[ . 1 . 2 ]" 1 338 2 21 ARG HA 2 22 GLU H 1.800 . 5.000 3.537 3.509 3.570 . 0 0 "[ . 1 . 2 ]" 1 339 1 21 ARG QB 1 22 GLU H 1.800 . 5.000 2.941 2.655 3.535 . 0 0 "[ . 1 . 2 ]" 1 340 2 21 ARG QB 2 22 GLU H 1.800 . 5.000 2.941 2.655 3.536 . 0 0 "[ . 1 . 2 ]" 1 341 1 22 GLU H 1 23 GLY H 1.800 . 6.000 2.027 1.978 2.054 . 0 0 "[ . 1 . 2 ]" 1 342 2 22 GLU H 2 23 GLY H 1.800 . 6.000 2.027 1.979 2.054 . 0 0 "[ . 1 . 2 ]" 1 343 1 22 GLU QB 1 23 GLY H 1.800 . 5.000 2.573 2.456 3.309 . 0 0 "[ . 1 . 2 ]" 1 344 2 22 GLU QB 2 23 GLY H 1.800 . 5.000 2.573 2.457 3.310 . 0 0 "[ . 1 . 2 ]" 1 345 1 22 GLU QG 1 23 GLY H 1.800 . 5.000 3.887 1.793 4.451 0.007 19 0 "[ . 1 . 2 ]" 1 346 2 22 GLU QG 2 23 GLY H 1.800 . 5.000 3.887 1.793 4.451 0.007 19 0 "[ . 1 . 2 ]" 1 347 1 23 GLY H 1 24 ASP H 1.800 . 6.000 2.841 2.800 2.933 . 0 0 "[ . 1 . 2 ]" 1 348 2 23 GLY H 2 24 ASP H 1.800 . 6.000 2.841 2.799 2.935 . 0 0 "[ . 1 . 2 ]" 1 349 1 23 GLY QA 1 24 ASP H 1.800 . 3.500 2.918 2.889 2.943 . 0 0 "[ . 1 . 2 ]" 1 350 2 23 GLY QA 2 24 ASP H 1.800 . 3.500 2.918 2.890 2.943 . 0 0 "[ . 1 . 2 ]" 1 351 1 24 ASP HA 1 25 LYS H 1.800 . 5.000 3.585 3.579 3.592 . 0 0 "[ . 1 . 2 ]" 1 352 2 24 ASP HA 2 25 LYS H 1.800 . 5.000 3.585 3.579 3.591 . 0 0 "[ . 1 . 2 ]" 1 353 1 24 ASP QB 1 25 LYS H 1.800 . 5.000 2.202 2.067 2.372 . 0 0 "[ . 1 . 2 ]" 1 354 2 24 ASP QB 2 25 LYS H 1.800 . 5.000 2.202 2.067 2.372 . 0 0 "[ . 1 . 2 ]" 1 355 1 25 LYS H 1 26 HIS H 1.800 . 6.000 4.560 4.498 4.608 . 0 0 "[ . 1 . 2 ]" 1 356 2 25 LYS H 2 26 HIS H 1.800 . 6.000 4.560 4.498 4.608 . 0 0 "[ . 1 . 2 ]" 1 357 1 25 LYS HA 1 26 HIS H 1.800 . 6.000 2.503 2.289 2.627 . 0 0 "[ . 1 . 2 ]" 1 358 2 25 LYS HA 2 26 HIS H 1.800 . 6.000 2.503 2.289 2.627 . 0 0 "[ . 1 . 2 ]" 1 359 1 25 LYS QB 1 26 HIS H 1.800 . 5.000 2.379 2.078 2.918 . 0 0 "[ . 1 . 2 ]" 1 360 2 25 LYS QB 2 26 HIS H 1.800 . 5.000 2.379 2.079 2.918 . 0 0 "[ . 1 . 2 ]" 1 361 1 26 HIS H 1 27 LYS H 1.800 . 2.900 2.858 2.656 2.984 0.084 17 0 "[ . 1 . 2 ]" 1 362 2 26 HIS H 2 27 LYS H 1.800 . 2.900 2.857 2.656 2.984 0.084 17 0 "[ . 1 . 2 ]" 1 363 1 26 HIS HA 1 27 LYS H 1.800 . 6.000 2.753 2.697 2.838 . 0 0 "[ . 1 . 2 ]" 1 364 2 26 HIS HA 2 27 LYS H 1.800 . 6.000 2.753 2.697 2.837 . 0 0 "[ . 1 . 2 ]" 1 365 1 26 HIS QB 1 27 LYS H 1.800 . 5.000 3.967 3.826 4.062 . 0 0 "[ . 1 . 2 ]" 1 366 2 26 HIS QB 2 27 LYS H 1.800 . 5.000 3.967 3.826 4.061 . 0 0 "[ . 1 . 2 ]" 1 367 1 27 LYS H 1 28 LEU H 1.800 . 6.000 4.450 4.430 4.465 . 0 0 "[ . 1 . 2 ]" 1 368 2 27 LYS H 2 28 LEU H 1.800 . 6.000 4.450 4.428 4.466 . 0 0 "[ . 1 . 2 ]" 1 369 1 27 LYS HA 1 28 LEU H 1.800 . 2.900 2.307 2.265 2.360 . 0 0 "[ . 1 . 2 ]" 1 370 2 27 LYS HA 2 28 LEU H 1.800 . 2.900 2.306 2.263 2.359 . 0 0 "[ . 1 . 2 ]" 1 371 1 27 LYS QB 1 28 LEU H 1.800 . 3.500 2.810 2.714 2.956 . 0 0 "[ . 1 . 2 ]" 1 372 2 27 LYS QB 2 28 LEU H 1.800 . 3.500 2.811 2.714 2.956 . 0 0 "[ . 1 . 2 ]" 1 373 1 28 LEU H 1 29 LYS H 1.800 . 6.000 4.468 4.450 4.493 . 0 0 "[ . 1 . 2 ]" 1 374 2 28 LEU H 2 29 LYS H 1.800 . 6.000 4.468 4.450 4.492 . 0 0 "[ . 1 . 2 ]" 1 375 1 28 LEU HA 1 29 LYS H 1.800 . 2.900 2.275 2.253 2.298 . 0 0 "[ . 1 . 2 ]" 1 376 2 28 LEU HA 2 29 LYS H 1.800 . 2.900 2.275 2.253 2.298 . 0 0 "[ . 1 . 2 ]" 1 377 1 28 LEU QD 1 29 LYS H 1.800 . 5.000 2.649 1.829 3.219 . 0 0 "[ . 1 . 2 ]" 1 378 2 28 LEU QD 2 29 LYS H 1.800 . 5.000 2.649 1.829 3.220 . 0 0 "[ . 1 . 2 ]" 1 379 1 29 LYS H 1 30 LYS H 1.800 . 6.000 4.632 4.614 4.659 . 0 0 "[ . 1 . 2 ]" 1 380 2 29 LYS H 2 30 LYS H 1.800 . 6.000 4.633 4.615 4.660 . 0 0 "[ . 1 . 2 ]" 1 381 1 29 LYS HA 1 30 LYS H 1.800 . 2.900 2.352 2.303 2.382 . 0 0 "[ . 1 . 2 ]" 1 382 2 29 LYS HA 2 30 LYS H 1.800 . 2.900 2.352 2.304 2.383 . 0 0 "[ . 1 . 2 ]" 1 383 1 30 LYS H 1 31 SER H 1.800 . 3.500 2.753 2.694 2.829 . 0 0 "[ . 1 . 2 ]" 1 384 2 30 LYS H 2 31 SER H 1.800 . 3.500 2.753 2.694 2.829 . 0 0 "[ . 1 . 2 ]" 1 385 1 30 LYS QB 1 31 SER H 1.800 . 3.500 3.327 3.221 3.440 . 0 0 "[ . 1 . 2 ]" 1 386 2 30 LYS QB 2 31 SER H 1.800 . 3.500 3.327 3.221 3.439 . 0 0 "[ . 1 . 2 ]" 1 387 1 31 SER H 1 32 GLU H 1.800 . 2.900 2.815 2.782 2.850 . 0 0 "[ . 1 . 2 ]" 1 388 2 31 SER H 2 32 GLU H 1.800 . 2.900 2.815 2.782 2.850 . 0 0 "[ . 1 . 2 ]" 1 389 1 31 SER H 1 32 GLU QB 1.800 . 6.000 4.904 4.630 5.118 . 0 0 "[ . 1 . 2 ]" 1 390 2 31 SER H 2 32 GLU QB 1.800 . 6.000 4.905 4.631 5.120 . 0 0 "[ . 1 . 2 ]" 1 391 1 31 SER HA 1 32 GLU H 1.800 . 4.200 3.562 3.546 3.576 . 0 0 "[ . 1 . 2 ]" 1 392 2 31 SER HA 2 32 GLU H 1.800 . 4.200 3.562 3.546 3.576 . 0 0 "[ . 1 . 2 ]" 1 393 1 31 SER QB 1 32 GLU H 1.800 . 4.200 2.874 2.521 3.427 . 0 0 "[ . 1 . 2 ]" 1 394 2 31 SER QB 2 32 GLU H 1.800 . 4.200 2.874 2.521 3.428 . 0 0 "[ . 1 . 2 ]" 1 395 1 32 GLU H 1 33 LEU H 1.800 . 2.900 2.398 2.326 2.492 . 0 0 "[ . 1 . 2 ]" 1 396 2 32 GLU H 2 33 LEU H 1.800 . 2.900 2.398 2.326 2.492 . 0 0 "[ . 1 . 2 ]" 1 397 1 32 GLU QB 1 33 LEU H 1.800 . 3.500 2.712 2.553 2.782 . 0 0 "[ . 1 . 2 ]" 1 398 2 32 GLU QB 2 33 LEU H 1.800 . 3.500 2.712 2.553 2.782 . 0 0 "[ . 1 . 2 ]" 1 399 1 32 GLU QG 1 33 LEU H 1.800 . 5.000 4.123 3.773 4.604 . 0 0 "[ . 1 . 2 ]" 1 400 2 32 GLU QG 2 33 LEU H 1.800 . 5.000 4.123 3.772 4.604 . 0 0 "[ . 1 . 2 ]" 1 401 1 33 LEU H 1 34 LYS H 1.800 . 2.900 2.756 2.703 2.837 . 0 0 "[ . 1 . 2 ]" 1 402 2 33 LEU H 2 34 LYS H 1.800 . 2.900 2.757 2.702 2.838 . 0 0 "[ . 1 . 2 ]" 1 403 1 33 LEU HA 1 34 LYS H 1.800 . 4.200 3.593 3.579 3.606 . 0 0 "[ . 1 . 2 ]" 1 404 2 33 LEU HA 2 34 LYS H 1.800 . 4.200 3.593 3.579 3.606 . 0 0 "[ . 1 . 2 ]" 1 405 1 33 LEU QB 1 34 LYS H 1.800 . 2.900 2.543 2.418 2.626 . 0 0 "[ . 1 . 2 ]" 1 406 2 33 LEU QB 2 34 LYS H 1.800 . 2.900 2.543 2.418 2.625 . 0 0 "[ . 1 . 2 ]" 1 407 1 33 LEU QD 1 34 LYS H 1.800 . 6.000 3.621 3.237 3.932 . 0 0 "[ . 1 . 2 ]" 1 408 2 33 LEU QD 2 34 LYS H 1.800 . 6.000 3.621 3.237 3.932 . 0 0 "[ . 1 . 2 ]" 1 409 1 34 LYS H 1 35 GLU H 1.800 . 2.900 2.968 2.954 2.982 0.082 16 0 "[ . 1 . 2 ]" 1 410 2 34 LYS H 2 35 GLU H 1.800 . 2.900 2.968 2.953 2.981 0.081 16 0 "[ . 1 . 2 ]" 1 411 1 34 LYS HA 1 35 GLU H 1.800 . 4.200 3.578 3.561 3.585 . 0 0 "[ . 1 . 2 ]" 1 412 2 34 LYS HA 2 35 GLU H 1.800 . 4.200 3.578 3.560 3.585 . 0 0 "[ . 1 . 2 ]" 1 413 1 34 LYS QB 1 35 GLU H 1.800 . 2.900 2.189 2.111 2.316 . 0 0 "[ . 1 . 2 ]" 1 414 2 34 LYS QB 2 35 GLU H 1.800 . 2.900 2.189 2.109 2.316 . 0 0 "[ . 1 . 2 ]" 1 415 1 35 GLU H 1 36 LEU H 1.800 . 2.900 2.880 2.818 2.935 0.035 11 0 "[ . 1 . 2 ]" 1 416 2 35 GLU H 2 36 LEU H 1.800 . 2.900 2.880 2.818 2.935 0.035 11 0 "[ . 1 . 2 ]" 1 417 1 35 GLU HA 1 36 LEU H 1.800 . 4.200 3.550 3.539 3.557 . 0 0 "[ . 1 . 2 ]" 1 418 2 35 GLU HA 2 36 LEU H 1.800 . 4.200 3.550 3.539 3.558 . 0 0 "[ . 1 . 2 ]" 1 419 1 35 GLU QB 1 36 LEU H 1.800 . 3.500 2.679 2.588 2.753 . 0 0 "[ . 1 . 2 ]" 1 420 2 35 GLU QB 2 36 LEU H 1.800 . 3.500 2.680 2.588 2.755 . 0 0 "[ . 1 . 2 ]" 1 421 1 35 GLU QG 1 36 LEU H 1.800 . 6.000 4.083 3.847 4.392 . 0 0 "[ . 1 . 2 ]" 1 422 2 35 GLU QG 2 36 LEU H 1.800 . 6.000 4.083 3.847 4.392 . 0 0 "[ . 1 . 2 ]" 1 423 1 36 LEU H 1 37 ILE H 1.800 . 2.900 2.685 2.641 2.754 . 0 0 "[ . 1 . 2 ]" 1 424 2 36 LEU H 2 37 ILE H 1.800 . 2.900 2.684 2.641 2.753 . 0 0 "[ . 1 . 2 ]" 1 425 1 36 LEU QD 1 37 ILE HA 1.800 . 5.000 4.362 2.835 5.020 0.020 15 0 "[ . 1 . 2 ]" 1 426 2 36 LEU QD 2 37 ILE HA 1.800 . 5.000 4.362 2.836 5.021 0.021 15 0 "[ . 1 . 2 ]" 1 427 1 36 LEU HA 1 37 ILE H 1.800 . 4.200 3.580 3.561 3.607 . 0 0 "[ . 1 . 2 ]" 1 428 2 36 LEU HA 2 37 ILE H 1.800 . 4.200 3.580 3.561 3.607 . 0 0 "[ . 1 . 2 ]" 1 429 1 36 LEU QB 1 37 ILE H 1.800 . 3.500 2.655 2.464 2.834 . 0 0 "[ . 1 . 2 ]" 1 430 2 36 LEU QB 2 37 ILE H 1.800 . 3.500 2.655 2.464 2.834 . 0 0 "[ . 1 . 2 ]" 1 431 1 36 LEU QD 1 37 ILE H 1.800 . 6.000 3.953 3.159 4.205 . 0 0 "[ . 1 . 2 ]" 1 432 2 36 LEU QD 2 37 ILE H 1.800 . 6.000 3.953 3.160 4.205 . 0 0 "[ . 1 . 2 ]" 1 433 1 37 ILE H 1 38 ASN H 1.800 . 2.900 2.710 2.607 2.812 . 0 0 "[ . 1 . 2 ]" 1 434 2 37 ILE H 2 38 ASN H 1.800 . 2.900 2.710 2.606 2.811 . 0 0 "[ . 1 . 2 ]" 1 435 1 37 ILE HA 1 38 ASN H 1.800 . 4.200 3.545 3.527 3.571 . 0 0 "[ . 1 . 2 ]" 1 436 2 37 ILE HA 2 38 ASN H 1.800 . 4.200 3.545 3.527 3.571 . 0 0 "[ . 1 . 2 ]" 1 437 1 37 ILE HB 1 38 ASN H 1.800 . 2.900 2.666 2.515 2.840 . 0 0 "[ . 1 . 2 ]" 1 438 2 37 ILE HB 2 38 ASN H 1.800 . 2.900 2.666 2.514 2.840 . 0 0 "[ . 1 . 2 ]" 1 439 1 37 ILE MG 1 38 ASN H 1.800 . 5.000 3.493 3.200 3.734 . 0 0 "[ . 1 . 2 ]" 1 440 2 37 ILE MG 2 38 ASN H 1.800 . 5.000 3.493 3.201 3.734 . 0 0 "[ . 1 . 2 ]" 1 441 1 37 ILE MD 1 38 ASN H 1.800 . 6.000 4.593 4.424 4.819 . 0 0 "[ . 1 . 2 ]" 1 442 2 37 ILE MD 2 38 ASN H 1.800 . 6.000 4.593 4.424 4.819 . 0 0 "[ . 1 . 2 ]" 1 443 1 38 ASN H 1 39 ASN H 1.800 . 2.900 2.784 2.665 2.915 0.015 10 0 "[ . 1 . 2 ]" 1 444 2 38 ASN H 2 39 ASN H 1.800 . 2.900 2.784 2.665 2.916 0.016 10 0 "[ . 1 . 2 ]" 1 445 1 38 ASN HA 1 39 ASN H 1.800 . 4.200 3.557 3.499 3.599 . 0 0 "[ . 1 . 2 ]" 1 446 2 38 ASN HA 2 39 ASN H 1.800 . 4.200 3.557 3.499 3.600 . 0 0 "[ . 1 . 2 ]" 1 447 1 38 ASN QB 1 39 ASN H 1.800 . 2.900 2.625 2.246 2.914 0.014 5 0 "[ . 1 . 2 ]" 1 448 2 38 ASN QB 2 39 ASN H 1.800 . 2.900 2.626 2.246 2.914 0.014 5 0 "[ . 1 . 2 ]" 1 449 1 39 ASN H 1 40 GLU H 1.800 . 2.900 2.371 2.037 2.770 . 0 0 "[ . 1 . 2 ]" 1 450 2 39 ASN H 2 40 GLU H 1.800 . 2.900 2.371 2.037 2.770 . 0 0 "[ . 1 . 2 ]" 1 451 1 39 ASN QB 1 40 GLU H 1.800 . 3.500 3.331 3.033 3.514 0.014 3 0 "[ . 1 . 2 ]" 1 452 2 39 ASN QB 2 40 GLU H 1.800 . 3.500 3.330 3.033 3.514 0.014 3 0 "[ . 1 . 2 ]" 1 453 1 40 GLU H 1 41 LEU H 1.800 . 2.900 2.086 1.911 2.301 . 0 0 "[ . 1 . 2 ]" 1 454 2 40 GLU H 2 41 LEU H 1.800 . 2.900 2.085 1.911 2.301 . 0 0 "[ . 1 . 2 ]" 1 455 1 40 GLU HA 1 41 LEU H 1.800 . 6.000 3.517 3.482 3.542 . 0 0 "[ . 1 . 2 ]" 1 456 2 40 GLU HA 2 41 LEU H 1.800 . 6.000 3.517 3.482 3.542 . 0 0 "[ . 1 . 2 ]" 1 457 1 40 GLU QB 1 41 LEU H 1.800 . 3.500 2.847 2.731 3.006 . 0 0 "[ . 1 . 2 ]" 1 458 2 40 GLU QB 2 41 LEU H 1.800 . 3.500 2.847 2.731 3.006 . 0 0 "[ . 1 . 2 ]" 1 459 1 41 LEU H 1 42 SER H 1.800 . 3.500 2.538 2.246 2.824 . 0 0 "[ . 1 . 2 ]" 1 460 2 41 LEU H 2 42 SER H 1.800 . 3.500 2.538 2.245 2.824 . 0 0 "[ . 1 . 2 ]" 1 461 1 41 LEU HA 1 42 SER H 1.800 . 5.000 2.977 2.826 3.159 . 0 0 "[ . 1 . 2 ]" 1 462 2 41 LEU HA 2 42 SER H 1.800 . 5.000 2.977 2.827 3.160 . 0 0 "[ . 1 . 2 ]" 1 463 1 41 LEU QD 1 42 SER H 1.800 . 6.000 4.269 3.961 4.552 . 0 0 "[ . 1 . 2 ]" 1 464 2 41 LEU QD 2 42 SER H 1.800 . 6.000 4.269 3.961 4.552 . 0 0 "[ . 1 . 2 ]" 1 465 1 42 SER HA 1 43 HIS H 1.800 . 6.000 3.525 3.481 3.600 . 0 0 "[ . 1 . 2 ]" 1 466 2 42 SER HA 2 43 HIS H 1.800 . 6.000 3.526 3.482 3.600 . 0 0 "[ . 1 . 2 ]" 1 467 1 42 SER QB 1 43 HIS H 1.800 . 5.000 3.213 2.149 3.602 . 0 0 "[ . 1 . 2 ]" 1 468 2 42 SER QB 2 43 HIS H 1.800 . 5.000 3.213 2.149 3.602 . 0 0 "[ . 1 . 2 ]" 1 469 1 43 HIS H 1 44 PHE H 1.800 . 2.900 2.688 2.555 2.909 0.009 9 0 "[ . 1 . 2 ]" 1 470 2 43 HIS H 2 44 PHE H 1.800 . 2.900 2.688 2.556 2.910 0.010 9 0 "[ . 1 . 2 ]" 1 471 1 45 LEU HA 1 46 GLU H 1.800 . 5.000 3.513 3.424 3.583 . 0 0 "[ . 1 . 2 ]" 1 472 2 45 LEU HA 2 46 GLU H 1.800 . 5.000 3.513 3.425 3.582 . 0 0 "[ . 1 . 2 ]" 1 473 1 45 LEU QB 1 46 GLU H 1.800 . 6.000 2.780 2.283 3.113 . 0 0 "[ . 1 . 2 ]" 1 474 2 45 LEU QB 2 46 GLU H 1.800 . 6.000 2.780 2.283 3.112 . 0 0 "[ . 1 . 2 ]" 1 475 1 46 GLU H 1 47 GLU H 1.800 . 2.900 2.538 2.409 2.825 . 0 0 "[ . 1 . 2 ]" 1 476 2 46 GLU H 2 47 GLU H 1.800 . 2.900 2.538 2.410 2.824 . 0 0 "[ . 1 . 2 ]" 1 477 1 46 GLU HA 1 47 GLU H 1.800 . 3.500 3.539 3.508 3.555 0.055 19 0 "[ . 1 . 2 ]" 1 478 2 46 GLU HA 2 47 GLU H 1.800 . 3.500 3.539 3.508 3.555 0.055 19 0 "[ . 1 . 2 ]" 1 479 1 46 GLU QB 1 47 GLU H 1.800 . 6.000 2.625 2.490 2.794 . 0 0 "[ . 1 . 2 ]" 1 480 2 46 GLU QB 2 47 GLU H 1.800 . 6.000 2.625 2.491 2.794 . 0 0 "[ . 1 . 2 ]" 1 481 1 47 GLU H 1 48 ILE H 1.800 . 5.000 3.571 3.490 3.794 . 0 0 "[ . 1 . 2 ]" 1 482 2 47 GLU H 2 48 ILE H 1.800 . 5.000 3.571 3.490 3.794 . 0 0 "[ . 1 . 2 ]" 1 483 1 49 LYS H 1 50 GLU H 1.800 . 2.900 2.345 1.894 2.580 . 0 0 "[ . 1 . 2 ]" 1 484 2 49 LYS H 2 50 GLU H 1.800 . 2.900 2.345 1.894 2.580 . 0 0 "[ . 1 . 2 ]" 1 485 1 49 LYS HA 1 50 GLU H 1.800 . 5.000 3.579 3.557 3.594 . 0 0 "[ . 1 . 2 ]" 1 486 2 49 LYS HA 2 50 GLU H 1.800 . 5.000 3.579 3.557 3.594 . 0 0 "[ . 1 . 2 ]" 1 487 1 49 LYS QB 1 50 GLU H 1.800 . 5.000 2.390 2.150 2.571 . 0 0 "[ . 1 . 2 ]" 1 488 2 49 LYS QB 2 50 GLU H 1.800 . 5.000 2.390 2.150 2.571 . 0 0 "[ . 1 . 2 ]" 1 489 1 49 LYS QG 1 50 GLU H 1.800 . 6.000 3.775 2.950 4.401 . 0 0 "[ . 1 . 2 ]" 1 490 2 49 LYS QG 2 50 GLU H 1.800 . 6.000 3.775 2.949 4.400 . 0 0 "[ . 1 . 2 ]" 1 491 1 50 GLU HA 1 51 GLN H 1.800 . 6.000 2.384 2.204 2.598 . 0 0 "[ . 1 . 2 ]" 1 492 2 50 GLU HA 2 51 GLN H 1.800 . 6.000 2.384 2.202 2.599 . 0 0 "[ . 1 . 2 ]" 1 493 1 51 GLN H 1 52 GLU H 1.800 . 3.500 2.623 2.285 2.930 . 0 0 "[ . 1 . 2 ]" 1 494 2 51 GLN H 2 52 GLU H 1.800 . 3.500 2.623 2.285 2.930 . 0 0 "[ . 1 . 2 ]" 1 495 1 51 GLN HA 1 52 GLU H 1.800 . 5.000 3.486 3.465 3.530 . 0 0 "[ . 1 . 2 ]" 1 496 2 51 GLN HA 2 52 GLU H 1.800 . 5.000 3.486 3.466 3.528 . 0 0 "[ . 1 . 2 ]" 1 497 1 52 GLU H 1 53 VAL H 1.800 . 3.500 2.590 2.541 2.684 . 0 0 "[ . 1 . 2 ]" 1 498 2 52 GLU H 2 53 VAL H 1.800 . 3.500 2.591 2.541 2.684 . 0 0 "[ . 1 . 2 ]" 1 499 1 52 GLU HA 1 53 VAL H 1.800 . 5.000 3.482 3.458 3.503 . 0 0 "[ . 1 . 2 ]" 1 500 2 52 GLU HA 2 53 VAL H 1.800 . 5.000 3.483 3.460 3.504 . 0 0 "[ . 1 . 2 ]" 1 501 1 53 VAL H 1 54 VAL H 1.800 . 2.900 2.555 2.531 2.594 . 0 0 "[ . 1 . 2 ]" 1 502 2 53 VAL H 2 54 VAL H 1.800 . 2.900 2.555 2.531 2.593 . 0 0 "[ . 1 . 2 ]" 1 503 1 53 VAL HA 1 54 VAL H 1.800 . 5.000 3.600 3.594 3.611 . 0 0 "[ . 1 . 2 ]" 1 504 2 53 VAL HA 2 54 VAL H 1.800 . 5.000 3.601 3.594 3.610 . 0 0 "[ . 1 . 2 ]" 1 505 1 53 VAL HB 1 54 VAL H 1.800 . 5.000 2.598 2.384 3.618 . 0 0 "[ . 1 . 2 ]" 1 506 2 53 VAL HB 2 54 VAL H 1.800 . 5.000 2.598 2.384 3.618 . 0 0 "[ . 1 . 2 ]" 1 507 1 53 VAL MG1 1 54 VAL H 1.800 . 6.000 3.267 3.035 4.074 . 0 0 "[ . 1 . 2 ]" 1 508 2 53 VAL MG1 2 54 VAL H 1.800 . 6.000 3.267 3.034 4.075 . 0 0 "[ . 1 . 2 ]" 1 509 1 54 VAL H 1 55 ASP H 1.800 . 2.900 2.612 2.544 2.654 . 0 0 "[ . 1 . 2 ]" 1 510 2 54 VAL H 2 55 ASP H 1.800 . 2.900 2.612 2.544 2.656 . 0 0 "[ . 1 . 2 ]" 1 511 1 54 VAL HA 1 55 ASP H 1.800 . 4.200 3.522 3.509 3.531 . 0 0 "[ . 1 . 2 ]" 1 512 2 54 VAL HA 2 55 ASP H 1.800 . 4.200 3.522 3.509 3.530 . 0 0 "[ . 1 . 2 ]" 1 513 1 54 VAL HB 1 55 ASP H 1.800 . 2.900 2.767 2.665 2.808 . 0 0 "[ . 1 . 2 ]" 1 514 2 54 VAL HB 2 55 ASP H 1.800 . 2.900 2.767 2.666 2.808 . 0 0 "[ . 1 . 2 ]" 1 515 1 55 ASP H 1 56 LYS H 1.800 . 2.900 2.790 2.762 2.812 . 0 0 "[ . 1 . 2 ]" 1 516 2 55 ASP H 2 56 LYS H 1.800 . 2.900 2.790 2.762 2.811 . 0 0 "[ . 1 . 2 ]" 1 517 1 55 ASP HA 1 56 LYS H 1.800 . 5.000 3.579 3.572 3.593 . 0 0 "[ . 1 . 2 ]" 1 518 2 55 ASP HA 2 56 LYS H 1.800 . 5.000 3.579 3.571 3.593 . 0 0 "[ . 1 . 2 ]" 1 519 1 55 ASP QB 1 56 LYS H 1.800 . 2.900 2.468 2.351 2.622 . 0 0 "[ . 1 . 2 ]" 1 520 2 55 ASP QB 2 56 LYS H 1.800 . 2.900 2.468 2.351 2.622 . 0 0 "[ . 1 . 2 ]" 1 521 1 56 LYS H 1 57 VAL H 1.800 . 2.900 2.631 2.600 2.677 . 0 0 "[ . 1 . 2 ]" 1 522 2 56 LYS H 2 57 VAL H 1.800 . 2.900 2.631 2.601 2.677 . 0 0 "[ . 1 . 2 ]" 1 523 1 56 LYS HA 1 57 VAL H 1.800 . 4.200 3.506 3.499 3.518 . 0 0 "[ . 1 . 2 ]" 1 524 2 56 LYS HA 2 57 VAL H 1.800 . 4.200 3.506 3.498 3.517 . 0 0 "[ . 1 . 2 ]" 1 525 1 56 LYS QB 1 57 VAL H 1.800 . 2.900 2.937 2.924 2.963 0.063 1 0 "[ . 1 . 2 ]" 1 526 2 56 LYS QB 2 57 VAL H 1.800 . 2.900 2.937 2.925 2.963 0.063 1 0 "[ . 1 . 2 ]" 1 527 1 57 VAL H 1 58 MET H 1.800 . 2.900 2.759 2.735 2.782 . 0 0 "[ . 1 . 2 ]" 1 528 2 57 VAL H 2 58 MET H 1.800 . 2.900 2.759 2.735 2.782 . 0 0 "[ . 1 . 2 ]" 1 529 1 57 VAL HA 1 58 MET H 1.800 . 4.200 3.586 3.580 3.593 . 0 0 "[ . 1 . 2 ]" 1 530 2 57 VAL HA 2 58 MET H 1.800 . 4.200 3.587 3.580 3.593 . 0 0 "[ . 1 . 2 ]" 1 531 1 57 VAL HB 1 58 MET H 1.800 . 3.500 2.257 2.185 2.373 . 0 0 "[ . 1 . 2 ]" 1 532 2 57 VAL HB 2 58 MET H 1.800 . 3.500 2.257 2.185 2.373 . 0 0 "[ . 1 . 2 ]" 1 533 1 57 VAL MG2 1 58 MET H 1.800 . 5.000 3.773 3.680 3.879 . 0 0 "[ . 1 . 2 ]" 1 534 2 57 VAL MG2 2 58 MET H 1.800 . 5.000 3.773 3.680 3.879 . 0 0 "[ . 1 . 2 ]" 1 535 1 57 VAL MG1 1 58 MET H 1.800 . 5.000 2.971 2.791 3.113 . 0 0 "[ . 1 . 2 ]" 1 536 2 57 VAL MG1 2 58 MET H 1.800 . 5.000 2.971 2.790 3.113 . 0 0 "[ . 1 . 2 ]" 1 537 1 58 MET H 1 59 GLU H 1.800 . 2.900 2.804 2.774 2.844 . 0 0 "[ . 1 . 2 ]" 1 538 2 58 MET H 2 59 GLU H 1.800 . 2.900 2.804 2.775 2.844 . 0 0 "[ . 1 . 2 ]" 1 539 1 58 MET HA 1 59 GLU H 1.800 . 4.200 3.504 3.490 3.524 . 0 0 "[ . 1 . 2 ]" 1 540 2 58 MET HA 2 59 GLU H 1.800 . 4.200 3.504 3.490 3.524 . 0 0 "[ . 1 . 2 ]" 1 541 1 58 MET QB 1 59 GLU H 1.800 . 2.900 2.902 2.842 2.955 0.055 5 0 "[ . 1 . 2 ]" 1 542 2 58 MET QB 2 59 GLU H 1.800 . 2.900 2.902 2.842 2.955 0.055 5 0 "[ . 1 . 2 ]" 1 543 1 58 MET QG 1 59 GLU H 1.800 . 6.000 4.349 4.073 4.730 . 0 0 "[ . 1 . 2 ]" 1 544 2 58 MET QG 2 59 GLU H 1.800 . 6.000 4.349 4.072 4.730 . 0 0 "[ . 1 . 2 ]" 1 545 1 59 GLU H 1 60 THR H 1.800 . 2.900 2.345 2.295 2.398 . 0 0 "[ . 1 . 2 ]" 1 546 2 59 GLU H 2 60 THR H 1.800 . 2.900 2.345 2.296 2.399 . 0 0 "[ . 1 . 2 ]" 1 547 1 59 GLU HA 1 60 THR H 1.800 . 4.200 3.540 3.518 3.561 . 0 0 "[ . 1 . 2 ]" 1 548 2 59 GLU HA 2 60 THR H 1.800 . 4.200 3.540 3.519 3.561 . 0 0 "[ . 1 . 2 ]" 1 549 1 59 GLU QB 1 60 THR H 1.800 . 2.900 2.744 2.650 2.816 . 0 0 "[ . 1 . 2 ]" 1 550 2 59 GLU QB 2 60 THR H 1.800 . 2.900 2.744 2.650 2.816 . 0 0 "[ . 1 . 2 ]" 1 551 1 60 THR H 1 61 LEU H 1.800 . 2.900 2.660 2.573 2.717 . 0 0 "[ . 1 . 2 ]" 1 552 2 60 THR H 2 61 LEU H 1.800 . 2.900 2.661 2.573 2.718 . 0 0 "[ . 1 . 2 ]" 1 553 1 60 THR HA 1 61 LEU H 1.800 . 5.000 3.598 3.565 3.615 . 0 0 "[ . 1 . 2 ]" 1 554 2 60 THR HA 2 61 LEU H 1.800 . 5.000 3.598 3.565 3.616 . 0 0 "[ . 1 . 2 ]" 1 555 1 60 THR HB 1 61 LEU H 1.800 . 3.500 2.757 2.520 3.499 . 0 0 "[ . 1 . 2 ]" 1 556 2 60 THR HB 2 61 LEU H 1.800 . 3.500 2.758 2.520 3.500 . 0 0 "[ . 1 . 2 ]" 1 557 1 60 THR MG 1 61 LEU H 1.800 . 5.000 3.816 3.591 4.220 . 0 0 "[ . 1 . 2 ]" 1 558 2 60 THR MG 2 61 LEU H 1.800 . 5.000 3.816 3.591 4.220 . 0 0 "[ . 1 . 2 ]" 1 559 1 61 LEU H 1 62 ASP H 1.800 . 2.900 2.814 2.713 2.877 . 0 0 "[ . 1 . 2 ]" 1 560 2 61 LEU H 2 62 ASP H 1.800 . 2.900 2.814 2.714 2.877 . 0 0 "[ . 1 . 2 ]" 1 561 1 61 LEU HA 1 62 ASP H 1.800 . 5.000 3.591 3.584 3.597 . 0 0 "[ . 1 . 2 ]" 1 562 2 61 LEU HA 2 62 ASP H 1.800 . 5.000 3.591 3.584 3.596 . 0 0 "[ . 1 . 2 ]" 1 563 1 61 LEU QB 1 62 ASP H 1.800 . 2.900 2.243 2.128 2.393 . 0 0 "[ . 1 . 2 ]" 1 564 2 61 LEU QB 2 62 ASP H 1.800 . 2.900 2.242 2.128 2.393 . 0 0 "[ . 1 . 2 ]" 1 565 1 62 ASP H 1 63 GLU H 1.800 . 2.900 2.763 2.745 2.796 . 0 0 "[ . 1 . 2 ]" 1 566 2 62 ASP H 2 63 GLU H 1.800 . 2.900 2.763 2.745 2.796 . 0 0 "[ . 1 . 2 ]" 1 567 1 62 ASP HA 1 63 GLU H 1.800 . 5.000 3.465 3.438 3.489 . 0 0 "[ . 1 . 2 ]" 1 568 2 62 ASP HA 2 63 GLU H 1.800 . 5.000 3.464 3.438 3.488 . 0 0 "[ . 1 . 2 ]" 1 569 1 62 ASP QB 1 63 GLU H 1.800 . 3.500 2.959 2.875 3.053 . 0 0 "[ . 1 . 2 ]" 1 570 2 62 ASP QB 2 63 GLU H 1.800 . 3.500 2.959 2.875 3.053 . 0 0 "[ . 1 . 2 ]" 1 571 1 63 GLU H 1 64 ASP H 1.800 . 2.900 2.921 2.902 2.952 0.052 19 0 "[ . 1 . 2 ]" 1 572 2 63 GLU H 2 64 ASP H 1.800 . 2.900 2.921 2.903 2.952 0.052 19 0 "[ . 1 . 2 ]" 1 573 1 63 GLU HA 1 64 ASP H 1.800 . 3.000 2.703 2.667 2.726 . 0 0 "[ . 1 . 2 ]" 1 574 2 63 GLU HA 2 64 ASP H 1.800 . 3.000 2.724 2.691 2.746 . 0 0 "[ . 1 . 2 ]" 1 575 1 63 GLU QB 1 64 ASP H 1.800 . 3.500 3.710 3.699 3.722 0.222 19 0 "[ . 1 . 2 ]" 1 576 2 63 GLU QB 2 64 ASP H 1.800 . 3.500 3.710 3.699 3.722 0.222 19 0 "[ . 1 . 2 ]" 1 577 1 63 GLU QG 1 64 ASP H 1.800 . 5.000 4.474 4.379 4.551 . 0 0 "[ . 1 . 2 ]" 1 578 2 63 GLU QG 2 64 ASP H 1.800 . 5.000 4.474 4.379 4.551 . 0 0 "[ . 1 . 2 ]" 1 579 1 64 ASP H 1 65 GLY H 1.800 . 3.500 2.849 2.807 2.913 . 0 0 "[ . 1 . 2 ]" 1 580 2 64 ASP H 2 65 GLY H 1.800 . 3.500 2.848 2.807 2.913 . 0 0 "[ . 1 . 2 ]" 1 581 1 64 ASP HA 1 65 GLY H 1.800 . 3.500 3.532 3.511 3.552 0.052 20 0 "[ . 1 . 2 ]" 1 582 2 64 ASP HA 2 65 GLY H 1.800 . 3.500 3.523 3.502 3.544 0.044 1 0 "[ . 1 . 2 ]" 1 583 1 64 ASP QB 1 65 GLY H 1.800 . 5.000 2.786 2.424 3.405 . 0 0 "[ . 1 . 2 ]" 1 584 2 64 ASP QB 2 65 GLY H 1.800 . 5.000 2.789 2.429 3.406 . 0 0 "[ . 1 . 2 ]" 1 585 1 65 GLY H 1 66 ASP H 1.800 . 3.500 3.115 3.060 3.182 . 0 0 "[ . 1 . 2 ]" 1 586 2 65 GLY H 2 66 ASP H 1.800 . 3.500 3.116 3.060 3.183 . 0 0 "[ . 1 . 2 ]" 1 587 1 65 GLY QA 1 66 ASP H 1.800 . 3.000 2.970 2.960 2.977 . 0 0 "[ . 1 . 2 ]" 1 588 2 65 GLY QA 2 66 ASP H 1.800 . 3.000 2.971 2.962 2.979 . 0 0 "[ . 1 . 2 ]" 1 589 1 66 ASP H 1 67 GLY H 1.800 . 5.000 2.362 2.347 2.375 . 0 0 "[ . 1 . 2 ]" 1 590 2 66 ASP H 2 67 GLY H 1.800 . 5.000 2.363 2.347 2.376 . 0 0 "[ . 1 . 2 ]" 1 591 1 66 ASP HA 1 67 GLY H 1.800 . 5.000 3.592 3.477 3.652 . 0 0 "[ . 1 . 2 ]" 1 592 2 66 ASP HA 2 67 GLY H 1.800 . 5.000 3.591 3.478 3.652 . 0 0 "[ . 1 . 2 ]" 1 593 1 66 ASP QB 1 67 GLY H 1.800 . 3.500 3.303 2.833 3.565 0.065 4 0 "[ . 1 . 2 ]" 1 594 2 66 ASP QB 2 67 GLY H 1.800 . 3.500 3.302 2.833 3.564 0.064 4 0 "[ . 1 . 2 ]" 1 595 1 67 GLY H 1 68 GLU H 1.800 . 5.000 2.808 2.610 3.102 . 0 0 "[ . 1 . 2 ]" 1 596 2 67 GLY H 2 68 GLU H 1.800 . 5.000 2.809 2.611 3.102 . 0 0 "[ . 1 . 2 ]" 1 597 1 67 GLY QA 1 68 GLU H 1.800 . 3.000 2.849 2.833 2.867 . 0 0 "[ . 1 . 2 ]" 1 598 2 67 GLY QA 2 68 GLU H 1.800 . 3.000 2.849 2.834 2.867 . 0 0 "[ . 1 . 2 ]" 1 599 1 68 GLU H 1 69 CYS H 1.800 . 6.000 4.265 4.224 4.284 . 0 0 "[ . 1 . 2 ]" 1 600 2 68 GLU H 2 69 CYS H 1.800 . 6.000 4.265 4.223 4.283 . 0 0 "[ . 1 . 2 ]" 1 601 1 68 GLU HA 1 69 CYS H 1.800 . 2.900 2.234 2.213 2.250 . 0 0 "[ . 1 . 2 ]" 1 602 2 68 GLU HA 2 69 CYS H 1.800 . 2.900 2.234 2.213 2.249 . 0 0 "[ . 1 . 2 ]" 1 603 1 68 GLU QB 1 69 CYS H 1.800 . 3.500 3.198 3.129 3.271 . 0 0 "[ . 1 . 2 ]" 1 604 2 68 GLU QB 2 69 CYS H 1.800 . 3.500 3.198 3.128 3.271 . 0 0 "[ . 1 . 2 ]" 1 605 1 69 CYS HA 1 73 GLU QB 1.800 . 4.200 3.474 3.249 3.634 . 0 0 "[ . 1 . 2 ]" 1 606 2 69 CYS HA 2 73 GLU QB 1.800 . 4.200 3.474 3.250 3.635 . 0 0 "[ . 1 . 2 ]" 1 607 1 68 GLU QG 1 69 CYS H 1.800 . 6.000 4.129 3.880 4.554 . 0 0 "[ . 1 . 2 ]" 1 608 2 68 GLU QG 2 69 CYS H 1.800 . 6.000 4.129 3.881 4.553 . 0 0 "[ . 1 . 2 ]" 1 609 1 69 CYS H 1 70 ASP H 1.800 . 6.000 4.457 4.443 4.473 . 0 0 "[ . 1 . 2 ]" 1 610 2 69 CYS H 2 70 ASP H 1.800 . 6.000 4.457 4.443 4.473 . 0 0 "[ . 1 . 2 ]" 1 611 1 69 CYS HA 1 70 ASP H 1.800 . 2.900 2.197 2.183 2.207 . 0 0 "[ . 1 . 2 ]" 1 612 2 69 CYS HA 2 70 ASP H 1.800 . 2.900 2.197 2.183 2.207 . 0 0 "[ . 1 . 2 ]" 1 613 1 69 CYS QB 1 70 ASP H 1.800 . 5.000 3.321 3.235 3.828 . 0 0 "[ . 1 . 2 ]" 1 614 2 69 CYS QB 2 70 ASP H 1.800 . 5.000 3.321 3.235 3.827 . 0 0 "[ . 1 . 2 ]" 1 615 1 70 ASP H 1 71 PHE H 1.800 . 6.000 4.523 4.494 4.544 . 0 0 "[ . 1 . 2 ]" 1 616 2 70 ASP H 2 71 PHE H 1.800 . 6.000 4.523 4.494 4.545 . 0 0 "[ . 1 . 2 ]" 1 617 1 70 ASP HA 1 71 PHE H 1.800 . 2.900 2.682 2.661 2.705 . 0 0 "[ . 1 . 2 ]" 1 618 2 70 ASP HA 2 71 PHE H 1.800 . 2.900 2.682 2.661 2.706 . 0 0 "[ . 1 . 2 ]" 1 619 1 70 ASP QB 1 71 PHE H 1.800 . 3.500 2.352 1.933 2.861 . 0 0 "[ . 1 . 2 ]" 1 620 2 70 ASP QB 2 71 PHE H 1.800 . 3.500 2.352 1.934 2.861 . 0 0 "[ . 1 . 2 ]" 1 621 1 71 PHE H 1 72 GLN H 1.800 . 2.900 2.485 2.446 2.528 . 0 0 "[ . 1 . 2 ]" 1 622 2 71 PHE H 2 72 GLN H 1.800 . 2.900 2.485 2.446 2.528 . 0 0 "[ . 1 . 2 ]" 1 623 1 71 PHE HA 1 72 GLN H 1.800 . 4.200 3.519 3.490 3.547 . 0 0 "[ . 1 . 2 ]" 1 624 2 71 PHE HA 2 72 GLN H 1.800 . 4.200 3.519 3.490 3.547 . 0 0 "[ . 1 . 2 ]" 1 625 1 70 ASP HA 1 72 GLN H 1.800 . 5.000 4.490 4.371 4.618 . 0 0 "[ . 1 . 2 ]" 1 626 2 70 ASP HA 2 72 GLN H 1.800 . 5.000 4.491 4.372 4.618 . 0 0 "[ . 1 . 2 ]" 1 627 1 71 PHE QB 1 72 GLN H 1.800 . 2.900 2.769 2.647 2.905 0.005 17 0 "[ . 1 . 2 ]" 1 628 2 71 PHE QB 2 72 GLN H 1.800 . 2.900 2.769 2.646 2.904 0.004 17 0 "[ . 1 . 2 ]" 1 629 1 71 PHE QD 1 72 GLN H 1.800 . 4.200 3.677 3.386 4.015 . 0 0 "[ . 1 . 2 ]" 1 630 2 71 PHE QD 2 72 GLN H 1.800 . 4.200 3.677 3.385 4.015 . 0 0 "[ . 1 . 2 ]" 1 631 1 72 GLN H 1 73 GLU H 1.800 . 2.900 2.690 2.609 2.781 . 0 0 "[ . 1 . 2 ]" 1 632 2 72 GLN H 2 73 GLU H 1.800 . 2.900 2.690 2.609 2.781 . 0 0 "[ . 1 . 2 ]" 1 633 1 72 GLN HA 1 73 GLU H 1.800 . 4.200 3.547 3.532 3.565 . 0 0 "[ . 1 . 2 ]" 1 634 2 72 GLN HA 2 73 GLU H 1.800 . 4.200 3.548 3.533 3.565 . 0 0 "[ . 1 . 2 ]" 1 635 1 72 GLN QB 1 73 GLU H 1.800 . 2.900 2.624 2.496 2.700 . 0 0 "[ . 1 . 2 ]" 1 636 2 72 GLN QB 2 73 GLU H 1.800 . 2.900 2.624 2.496 2.700 . 0 0 "[ . 1 . 2 ]" 1 637 1 73 GLU H 1 74 PHE H 1.800 . 2.900 2.509 2.490 2.539 . 0 0 "[ . 1 . 2 ]" 1 638 2 73 GLU H 2 74 PHE H 1.800 . 2.900 2.509 2.489 2.539 . 0 0 "[ . 1 . 2 ]" 1 639 1 73 GLU HA 1 74 PHE H 1.800 . 3.500 3.457 3.438 3.472 . 0 0 "[ . 1 . 2 ]" 1 640 2 73 GLU HA 2 74 PHE H 1.800 . 3.500 3.457 3.438 3.473 . 0 0 "[ . 1 . 2 ]" 1 641 1 73 GLU QB 1 74 PHE H 1.800 . 3.500 2.951 2.904 3.017 . 0 0 "[ . 1 . 2 ]" 1 642 2 73 GLU QB 2 74 PHE H 1.800 . 3.500 2.951 2.905 3.017 . 0 0 "[ . 1 . 2 ]" 1 643 1 74 PHE H 1 75 MET H 1.800 . 2.900 2.553 2.490 2.610 . 0 0 "[ . 1 . 2 ]" 1 644 2 74 PHE H 2 75 MET H 1.800 . 2.900 2.553 2.490 2.610 . 0 0 "[ . 1 . 2 ]" 1 645 1 74 PHE HA 1 75 MET H 1.800 . 6.000 3.566 3.550 3.580 . 0 0 "[ . 1 . 2 ]" 1 646 2 74 PHE HA 2 75 MET H 1.800 . 6.000 3.565 3.549 3.580 . 0 0 "[ . 1 . 2 ]" 1 647 1 74 PHE QB 1 75 MET H 1.800 . 3.500 2.745 2.677 2.874 . 0 0 "[ . 1 . 2 ]" 1 648 2 74 PHE QB 2 75 MET H 1.800 . 3.500 2.745 2.678 2.874 . 0 0 "[ . 1 . 2 ]" 1 649 1 74 PHE QD 1 75 MET H 1.800 . 5.000 3.385 2.459 3.794 . 0 0 "[ . 1 . 2 ]" 1 650 2 74 PHE QD 2 75 MET H 1.800 . 5.000 3.385 2.460 3.795 . 0 0 "[ . 1 . 2 ]" 1 651 1 75 MET H 1 76 ALA H 1.800 . 2.900 2.761 2.608 2.864 . 0 0 "[ . 1 . 2 ]" 1 652 2 75 MET H 2 76 ALA H 1.800 . 2.900 2.761 2.609 2.865 . 0 0 "[ . 1 . 2 ]" 1 653 1 75 MET HA 1 76 ALA H 1.800 . 4.200 3.612 3.540 3.645 . 0 0 "[ . 1 . 2 ]" 1 654 2 75 MET HA 2 76 ALA H 1.800 . 4.200 3.613 3.540 3.647 . 0 0 "[ . 1 . 2 ]" 1 655 1 75 MET QB 1 76 ALA H 1.800 . 2.900 2.607 2.303 2.946 0.046 19 0 "[ . 1 . 2 ]" 1 656 2 75 MET QB 2 76 ALA H 1.800 . 2.900 2.607 2.303 2.947 0.047 19 0 "[ . 1 . 2 ]" 1 657 1 76 ALA H 1 77 PHE H 1.800 . 2.900 2.869 2.571 2.993 0.093 15 0 "[ . 1 . 2 ]" 1 658 2 76 ALA H 2 77 PHE H 1.800 . 2.900 2.868 2.570 2.993 0.093 15 0 "[ . 1 . 2 ]" 1 659 1 76 ALA HA 1 77 PHE H 1.800 . 4.200 3.601 3.578 3.614 . 0 0 "[ . 1 . 2 ]" 1 660 2 76 ALA HA 2 77 PHE H 1.800 . 4.200 3.601 3.579 3.613 . 0 0 "[ . 1 . 2 ]" 1 661 1 76 ALA MB 1 77 PHE H 1.800 . 2.900 2.379 2.195 2.546 . 0 0 "[ . 1 . 2 ]" 1 662 2 76 ALA MB 2 77 PHE H 1.800 . 2.900 2.379 2.196 2.546 . 0 0 "[ . 1 . 2 ]" 1 663 1 77 PHE H 1 78 VAL H 1.800 . 2.900 2.665 2.570 2.772 . 0 0 "[ . 1 . 2 ]" 1 664 2 77 PHE H 2 78 VAL H 1.800 . 2.900 2.665 2.570 2.772 . 0 0 "[ . 1 . 2 ]" 1 665 1 77 PHE HA 1 78 VAL H 1.800 . 6.000 3.520 3.509 3.544 . 0 0 "[ . 1 . 2 ]" 1 666 2 77 PHE HA 2 78 VAL H 1.800 . 6.000 3.520 3.509 3.545 . 0 0 "[ . 1 . 2 ]" 1 667 1 77 PHE QB 1 78 VAL H 1.800 . 3.500 2.801 2.753 2.857 . 0 0 "[ . 1 . 2 ]" 1 668 2 77 PHE QB 2 78 VAL H 1.800 . 3.500 2.801 2.752 2.857 . 0 0 "[ . 1 . 2 ]" 1 669 1 77 PHE QD 1 78 VAL H 1.800 . 6.000 4.600 4.398 4.700 . 0 0 "[ . 1 . 2 ]" 1 670 2 77 PHE QD 2 78 VAL H 1.800 . 6.000 4.600 4.398 4.700 . 0 0 "[ . 1 . 2 ]" 1 671 1 78 VAL H 1 79 SER H 1.800 . 2.900 2.597 2.538 2.666 . 0 0 "[ . 1 . 2 ]" 1 672 2 78 VAL H 2 79 SER H 1.800 . 2.900 2.597 2.537 2.666 . 0 0 "[ . 1 . 2 ]" 1 673 1 78 VAL HA 1 79 SER H 1.800 . 4.200 3.532 3.517 3.545 . 0 0 "[ . 1 . 2 ]" 1 674 2 78 VAL HA 2 79 SER H 1.800 . 4.200 3.532 3.517 3.544 . 0 0 "[ . 1 . 2 ]" 1 675 1 78 VAL HB 1 79 SER H 1.800 . 2.900 2.839 2.777 2.886 . 0 0 "[ . 1 . 2 ]" 1 676 2 78 VAL HB 2 79 SER H 1.800 . 2.900 2.838 2.775 2.886 . 0 0 "[ . 1 . 2 ]" 1 677 1 78 VAL MG1 1 79 SER H 1.800 . 5.000 3.371 3.278 3.449 . 0 0 "[ . 1 . 2 ]" 1 678 2 78 VAL MG1 2 79 SER H 1.800 . 5.000 3.371 3.277 3.449 . 0 0 "[ . 1 . 2 ]" 1 679 1 78 VAL MG2 1 79 SER H 1.800 . 5.000 4.058 4.004 4.118 . 0 0 "[ . 1 . 2 ]" 1 680 2 78 VAL MG2 2 79 SER H 1.800 . 5.000 4.058 4.003 4.118 . 0 0 "[ . 1 . 2 ]" 1 681 1 79 SER H 1 80 MET H 1.800 . 2.900 2.743 2.717 2.776 . 0 0 "[ . 1 . 2 ]" 1 682 2 79 SER H 2 80 MET H 1.800 . 2.900 2.744 2.718 2.778 . 0 0 "[ . 1 . 2 ]" 1 683 1 79 SER HA 1 80 MET H 1.800 . 4.200 3.595 3.587 3.604 . 0 0 "[ . 1 . 2 ]" 1 684 2 79 SER HA 2 80 MET H 1.800 . 4.200 3.595 3.586 3.605 . 0 0 "[ . 1 . 2 ]" 1 685 1 79 SER QB 1 80 MET H 1.800 . 5.000 2.751 2.229 3.232 . 0 0 "[ . 1 . 2 ]" 1 686 2 79 SER QB 2 80 MET H 1.800 . 5.000 2.751 2.228 3.232 . 0 0 "[ . 1 . 2 ]" 1 687 1 80 MET H 1 81 VAL H 1.800 . 2.900 2.925 2.909 2.952 0.052 2 0 "[ . 1 . 2 ]" 1 688 2 80 MET H 2 81 VAL H 1.800 . 2.900 2.926 2.909 2.952 0.052 2 0 "[ . 1 . 2 ]" 1 689 1 80 MET HA 1 81 VAL H 1.800 . 4.200 3.563 3.553 3.578 . 0 0 "[ . 1 . 2 ]" 1 690 2 80 MET HA 2 81 VAL H 1.800 . 4.200 3.563 3.554 3.578 . 0 0 "[ . 1 . 2 ]" 1 691 1 80 MET QB 1 81 VAL H 1.800 . 3.500 2.534 2.257 2.688 . 0 0 "[ . 1 . 2 ]" 1 692 2 80 MET QB 2 81 VAL H 1.800 . 3.500 2.534 2.257 2.688 . 0 0 "[ . 1 . 2 ]" 1 693 1 80 MET QB 1 81 VAL MG2 1.800 . 5.000 3.051 2.878 3.161 . 0 0 "[ . 1 . 2 ]" 1 694 2 80 MET QB 2 81 VAL MG2 1.800 . 5.000 3.051 2.879 3.162 . 0 0 "[ . 1 . 2 ]" 1 695 1 80 MET QG 1 81 VAL H 1.800 . 6.000 4.080 3.730 4.216 . 0 0 "[ . 1 . 2 ]" 1 696 2 80 MET QG 2 81 VAL H 1.800 . 6.000 4.080 3.730 4.216 . 0 0 "[ . 1 . 2 ]" 1 697 1 81 VAL H 1 82 THR H 1.800 . 2.900 2.699 2.588 2.900 0.000 10 0 "[ . 1 . 2 ]" 1 698 2 81 VAL H 2 82 THR H 1.800 . 2.900 2.699 2.589 2.900 0.000 10 0 "[ . 1 . 2 ]" 1 699 1 81 VAL HA 1 82 THR H 1.800 . 4.200 3.579 3.554 3.602 . 0 0 "[ . 1 . 2 ]" 1 700 2 81 VAL HA 2 82 THR H 1.800 . 4.200 3.579 3.554 3.602 . 0 0 "[ . 1 . 2 ]" 1 701 1 81 VAL HB 1 82 THR H 1.800 . 3.500 2.470 2.193 2.674 . 0 0 "[ . 1 . 2 ]" 1 702 2 81 VAL HB 2 82 THR H 1.800 . 3.500 2.470 2.193 2.673 . 0 0 "[ . 1 . 2 ]" 1 703 1 81 VAL MG1 1 82 THR H 1.800 . 5.000 3.308 3.043 3.481 . 0 0 "[ . 1 . 2 ]" 1 704 2 81 VAL MG1 2 82 THR H 1.800 . 5.000 3.308 3.042 3.481 . 0 0 "[ . 1 . 2 ]" 1 705 1 82 THR H 1 83 THR H 1.800 . 2.900 2.652 2.527 2.809 . 0 0 "[ . 1 . 2 ]" 1 706 2 82 THR H 2 83 THR H 1.800 . 2.900 2.652 2.526 2.808 . 0 0 "[ . 1 . 2 ]" 1 707 1 82 THR HB 1 83 THR H 1.800 . 5.000 2.723 2.322 3.532 . 0 0 "[ . 1 . 2 ]" 1 708 2 82 THR HB 2 83 THR H 1.800 . 5.000 2.723 2.323 3.532 . 0 0 "[ . 1 . 2 ]" 1 709 1 82 THR HA 1 83 THR H 1.800 . 5.000 3.554 3.532 3.571 . 0 0 "[ . 1 . 2 ]" 1 710 2 82 THR HA 2 83 THR H 1.800 . 5.000 3.554 3.531 3.573 . 0 0 "[ . 1 . 2 ]" 1 711 1 83 THR H 1 84 ALA H 1.800 . 2.900 2.571 2.503 2.889 . 0 0 "[ . 1 . 2 ]" 1 712 2 83 THR H 2 84 ALA H 1.800 . 2.900 2.571 2.503 2.888 . 0 0 "[ . 1 . 2 ]" 1 713 1 83 THR HA 1 84 ALA H 1.800 . 4.200 3.478 3.443 3.590 . 0 0 "[ . 1 . 2 ]" 1 714 2 83 THR HA 2 84 ALA H 1.800 . 4.200 3.478 3.443 3.590 . 0 0 "[ . 1 . 2 ]" 1 715 1 83 THR HB 1 84 ALA H 1.800 . 5.000 3.753 2.960 4.101 . 0 0 "[ . 1 . 2 ]" 1 716 2 83 THR HB 2 84 ALA H 1.800 . 5.000 3.753 2.960 4.100 . 0 0 "[ . 1 . 2 ]" 1 717 1 83 THR MG 1 84 ALA H 1.800 . 6.000 4.041 3.923 4.166 . 0 0 "[ . 1 . 2 ]" 1 718 2 83 THR MG 2 84 ALA H 1.800 . 6.000 4.041 3.924 4.166 . 0 0 "[ . 1 . 2 ]" 1 719 1 84 ALA H 1 85 CYS H 1.800 . 3.500 2.710 2.519 2.848 . 0 0 "[ . 1 . 2 ]" 1 720 2 84 ALA H 2 85 CYS H 1.800 . 3.500 2.710 2.519 2.848 . 0 0 "[ . 1 . 2 ]" 1 721 1 84 ALA HA 1 85 CYS H 1.800 . 5.000 3.507 3.424 3.568 . 0 0 "[ . 1 . 2 ]" 1 722 2 84 ALA HA 2 85 CYS H 1.800 . 5.000 3.507 3.423 3.568 . 0 0 "[ . 1 . 2 ]" 1 723 1 84 ALA MB 1 85 CYS H 1.800 . 5.000 2.694 2.365 3.045 . 0 0 "[ . 1 . 2 ]" 1 724 2 84 ALA MB 2 85 CYS H 1.800 . 5.000 2.695 2.365 3.045 . 0 0 "[ . 1 . 2 ]" 1 725 1 88 PHE HA 1 89 PHE H 1.800 . 5.000 3.500 3.474 3.589 . 0 0 "[ . 1 . 2 ]" 1 726 2 88 PHE HA 2 89 PHE H 1.800 . 5.000 3.500 3.474 3.590 . 0 0 "[ . 1 . 2 ]" 1 727 1 88 PHE QB 1 89 PHE H 1.800 . 5.000 3.384 2.135 3.639 . 0 0 "[ . 1 . 2 ]" 1 728 2 88 PHE QB 2 89 PHE H 1.800 . 5.000 3.385 2.136 3.640 . 0 0 "[ . 1 . 2 ]" 1 729 1 88 PHE QD 1 89 PHE H 1.800 . 6.000 3.189 1.811 3.916 . 0 0 "[ . 1 . 2 ]" 1 730 2 88 PHE QD 2 89 PHE H 1.800 . 6.000 3.191 1.812 3.916 . 0 0 "[ . 1 . 2 ]" 1 731 1 88 PHE QE 1 89 PHE QE 1.800 . 5.300 2.522 2.322 3.284 . 0 0 "[ . 1 . 2 ]" 1 732 2 88 PHE QE 2 89 PHE QE 1.800 . 5.300 2.522 2.320 3.283 . 0 0 "[ . 1 . 2 ]" 1 733 1 89 PHE H 1 90 GLU H 1.800 . 5.000 2.665 2.168 2.835 . 0 0 "[ . 1 . 2 ]" 1 734 2 89 PHE H 2 90 GLU H 1.800 . 5.000 2.664 2.166 2.834 . 0 0 "[ . 1 . 2 ]" 1 735 1 89 PHE HA 1 90 GLU H 1.800 . 3.500 3.526 3.502 3.542 0.042 5 0 "[ . 1 . 2 ]" 1 736 2 89 PHE HA 2 90 GLU H 1.800 . 3.500 3.528 3.504 3.545 0.045 5 0 "[ . 1 . 2 ]" 1 737 1 89 PHE QB 1 90 GLU H 1.800 . 5.000 2.640 2.462 2.838 . 0 0 "[ . 1 . 2 ]" 1 738 2 89 PHE QB 2 90 GLU H 1.800 . 5.000 2.639 2.463 2.837 . 0 0 "[ . 1 . 2 ]" 1 739 1 89 PHE QD 1 90 GLU H 1.800 . 5.000 3.981 3.548 4.627 . 0 0 "[ . 1 . 2 ]" 1 740 2 89 PHE QD 2 90 GLU H 1.800 . 5.000 3.981 3.547 4.627 . 0 0 "[ . 1 . 2 ]" 1 741 1 90 GLU H 1 91 HIS H 1.800 . 6.000 3.540 3.240 3.849 . 0 0 "[ . 1 . 2 ]" 1 742 2 90 GLU H 2 91 HIS H 1.800 . 6.000 3.539 3.241 3.849 . 0 0 "[ . 1 . 2 ]" 1 743 1 90 GLU HA 1 91 HIS H 1.800 . 2.900 2.598 2.391 2.734 . 0 0 "[ . 1 . 2 ]" 1 744 2 90 GLU HA 2 91 HIS H 1.800 . 2.900 2.598 2.392 2.734 . 0 0 "[ . 1 . 2 ]" 1 745 1 91 HIS HA 1 92 GLU H 1.800 . 2.900 2.415 2.192 2.911 0.011 2 0 "[ . 1 . 2 ]" 1 746 2 91 HIS HA 2 92 GLU H 1.800 . 2.900 2.415 2.193 2.912 0.012 2 0 "[ . 1 . 2 ]" 1 747 1 91 HIS QB 1 92 GLU H 1.800 . 6.000 3.835 2.780 4.051 . 0 0 "[ . 1 . 2 ]" 1 748 2 91 HIS QB 2 92 GLU H 1.800 . 6.000 3.835 2.779 4.052 . 0 0 "[ . 1 . 2 ]" 1 749 1 2 SER H 1 4 LEU H 1.800 . 6.000 4.989 4.791 5.149 . 0 0 "[ . 1 . 2 ]" 1 750 2 2 SER H 2 4 LEU H 1.800 . 6.000 4.988 4.791 5.148 . 0 0 "[ . 1 . 2 ]" 1 751 1 3 GLU H 1 5 GLU H 1.800 . 6.000 4.524 4.278 4.669 . 0 0 "[ . 1 . 2 ]" 1 752 2 3 GLU H 2 5 GLU H 1.800 . 6.000 4.524 4.277 4.668 . 0 0 "[ . 1 . 2 ]" 1 753 1 3 GLU HA 1 6 LYS QB 1.800 . 3.300 2.869 2.556 3.312 0.012 4 0 "[ . 1 . 2 ]" 1 754 2 3 GLU HA 2 6 LYS QB 1.800 . 3.300 2.869 2.556 3.311 0.011 4 0 "[ . 1 . 2 ]" 1 755 1 4 LEU HA 1 7 ALA MB 1.800 . 3.300 2.705 2.584 2.939 . 0 0 "[ . 1 . 2 ]" 1 756 2 4 LEU HA 2 7 ALA MB 1.800 . 3.300 2.705 2.583 2.938 . 0 0 "[ . 1 . 2 ]" 1 757 1 3 GLU HA 1 5 GLU H 1.800 . 6.000 4.616 4.298 4.816 . 0 0 "[ . 1 . 2 ]" 1 758 2 3 GLU HA 2 5 GLU H 1.800 . 6.000 4.616 4.298 4.816 . 0 0 "[ . 1 . 2 ]" 1 759 1 5 GLU HA 1 8 MET QB 1.800 . 4.200 2.388 2.283 2.724 . 0 0 "[ . 1 . 2 ]" 1 760 2 5 GLU HA 2 8 MET QB 1.800 . 4.200 2.388 2.285 2.725 . 0 0 "[ . 1 . 2 ]" 1 761 1 3 GLU HA 1 6 LYS H 1.800 . 5.000 3.572 3.455 3.704 . 0 0 "[ . 1 . 2 ]" 1 762 2 3 GLU HA 2 6 LYS H 1.800 . 5.000 3.571 3.455 3.703 . 0 0 "[ . 1 . 2 ]" 1 763 1 4 LEU HA 1 6 LYS H 1.800 . 6.000 4.486 4.310 4.593 . 0 0 "[ . 1 . 2 ]" 1 764 2 4 LEU HA 2 6 LYS H 1.800 . 6.000 4.486 4.310 4.592 . 0 0 "[ . 1 . 2 ]" 1 765 1 6 LYS HA 1 9 VAL HB 1.800 . 4.200 3.813 3.516 4.172 . 0 0 "[ . 1 . 2 ]" 1 766 2 6 LYS HA 2 9 VAL HB 1.800 . 4.200 3.813 3.515 4.172 . 0 0 "[ . 1 . 2 ]" 1 767 1 3 GLU HA 1 7 ALA H 1.800 . 5.000 4.594 4.285 4.890 . 0 0 "[ . 1 . 2 ]" 1 768 2 3 GLU HA 2 7 ALA H 1.800 . 5.000 4.594 4.286 4.889 . 0 0 "[ . 1 . 2 ]" 1 769 1 4 LEU HA 1 7 ALA H 1.800 . 5.000 3.420 3.316 3.594 . 0 0 "[ . 1 . 2 ]" 1 770 2 4 LEU HA 2 7 ALA H 1.800 . 5.000 3.419 3.316 3.593 . 0 0 "[ . 1 . 2 ]" 1 771 1 5 GLU H 1 7 ALA H 1.800 . 5.000 4.255 4.161 4.360 . 0 0 "[ . 1 . 2 ]" 1 772 2 5 GLU H 2 7 ALA H 1.800 . 5.000 4.255 4.161 4.359 . 0 0 "[ . 1 . 2 ]" 1 773 1 7 ALA HA 1 10 ALA MB 1.800 . 3.300 2.216 2.082 2.440 . 0 0 "[ . 1 . 2 ]" 1 774 2 7 ALA HA 2 10 ALA MB 1.800 . 3.300 2.216 2.081 2.440 . 0 0 "[ . 1 . 2 ]" 1 775 1 4 LEU HA 1 8 MET H 1.800 . 5.000 4.310 4.031 4.499 . 0 0 "[ . 1 . 2 ]" 1 776 2 4 LEU HA 2 8 MET H 1.800 . 5.000 4.310 4.031 4.498 . 0 0 "[ . 1 . 2 ]" 1 777 1 5 GLU HA 1 8 MET H 1.800 . 4.200 3.105 3.025 3.257 . 0 0 "[ . 1 . 2 ]" 1 778 2 5 GLU HA 2 8 MET H 1.800 . 4.200 3.105 3.024 3.257 . 0 0 "[ . 1 . 2 ]" 1 779 1 6 LYS H 1 8 MET H 1.800 . 5.000 4.118 4.038 4.276 . 0 0 "[ . 1 . 2 ]" 1 780 2 6 LYS H 2 8 MET H 1.800 . 5.000 4.118 4.039 4.274 . 0 0 "[ . 1 . 2 ]" 1 781 1 6 LYS HA 1 8 MET H 1.800 . 6.000 4.489 4.320 4.723 . 0 0 "[ . 1 . 2 ]" 1 782 2 6 LYS HA 2 8 MET H 1.800 . 6.000 4.489 4.322 4.721 . 0 0 "[ . 1 . 2 ]" 1 783 1 6 LYS HA 1 9 VAL H 1.800 . 5.000 4.083 3.957 4.225 . 0 0 "[ . 1 . 2 ]" 1 784 2 6 LYS HA 2 9 VAL H 1.800 . 5.000 4.083 3.958 4.225 . 0 0 "[ . 1 . 2 ]" 1 785 1 9 VAL HA 1 12 ILE HB 1.800 . 3.300 3.180 2.890 3.325 0.025 14 0 "[ . 1 . 2 ]" 1 786 2 9 VAL HA 2 12 ILE HB 1.800 . 3.300 3.180 2.890 3.324 0.024 14 0 "[ . 1 . 2 ]" 1 787 1 6 LYS HA 1 10 ALA H 1.800 . 5.000 4.507 4.198 4.962 . 0 0 "[ . 1 . 2 ]" 1 788 2 6 LYS HA 2 10 ALA H 1.800 . 5.000 4.507 4.199 4.962 . 0 0 "[ . 1 . 2 ]" 1 789 1 7 ALA HA 1 10 ALA H 1.800 . 4.200 3.116 2.946 3.254 . 0 0 "[ . 1 . 2 ]" 1 790 2 7 ALA HA 2 10 ALA H 1.800 . 4.200 3.116 2.947 3.254 . 0 0 "[ . 1 . 2 ]" 1 791 1 8 MET H 1 10 ALA H 1.800 . 5.000 3.926 3.839 4.026 . 0 0 "[ . 1 . 2 ]" 1 792 2 8 MET H 2 10 ALA H 1.800 . 5.000 3.926 3.840 4.027 . 0 0 "[ . 1 . 2 ]" 1 793 1 10 ALA H 1 12 ILE H 1.800 . 5.000 4.360 4.205 4.536 . 0 0 "[ . 1 . 2 ]" 1 794 2 10 ALA H 2 12 ILE H 1.800 . 5.000 4.360 4.204 4.536 . 0 0 "[ . 1 . 2 ]" 1 795 1 10 ALA HA 1 13 ASP QB 1.800 . 3.300 2.515 2.135 3.058 . 0 0 "[ . 1 . 2 ]" 1 796 2 10 ALA HA 2 13 ASP QB 1.800 . 3.300 2.515 2.135 3.058 . 0 0 "[ . 1 . 2 ]" 1 797 1 7 ALA HA 1 11 LEU H 1.800 . 5.000 3.845 3.618 4.144 . 0 0 "[ . 1 . 2 ]" 1 798 2 7 ALA HA 2 11 LEU H 1.800 . 5.000 3.845 3.619 4.145 . 0 0 "[ . 1 . 2 ]" 1 799 1 8 MET HA 1 11 LEU H 1.800 . 5.000 3.717 3.491 3.886 . 0 0 "[ . 1 . 2 ]" 1 800 2 8 MET HA 2 11 LEU H 1.800 . 5.000 3.717 3.491 3.886 . 0 0 "[ . 1 . 2 ]" 1 801 1 8 MET HA 1 11 LEU QB 1.800 . 5.000 3.117 2.914 3.516 . 0 0 "[ . 1 . 2 ]" 1 802 2 8 MET HA 2 11 LEU QB 1.800 . 5.000 3.117 2.914 3.515 . 0 0 "[ . 1 . 2 ]" 1 803 1 8 MET HA 1 11 LEU QD 1.800 . 3.300 2.466 2.272 3.328 0.028 18 0 "[ . 1 . 2 ]" 1 804 2 8 MET HA 2 11 LEU QD 1.800 . 3.300 2.465 2.272 3.327 0.027 18 0 "[ . 1 . 2 ]" 1 805 1 9 VAL HA 1 11 LEU H 1.800 . 6.000 4.521 4.441 4.666 . 0 0 "[ . 1 . 2 ]" 1 806 2 9 VAL HA 2 11 LEU H 1.800 . 6.000 4.521 4.440 4.665 . 0 0 "[ . 1 . 2 ]" 1 807 1 9 VAL H 1 11 LEU H 1.800 . 5.000 4.377 4.302 4.479 . 0 0 "[ . 1 . 2 ]" 1 808 2 9 VAL H 2 11 LEU H 1.800 . 5.000 4.377 4.302 4.479 . 0 0 "[ . 1 . 2 ]" 1 809 1 11 LEU H 1 13 ASP H 1.800 . 5.000 4.197 4.140 4.284 . 0 0 "[ . 1 . 2 ]" 1 810 2 11 LEU H 2 13 ASP H 1.800 . 5.000 4.197 4.139 4.282 . 0 0 "[ . 1 . 2 ]" 1 811 1 11 LEU HA 1 14 VAL HB 1.800 . 3.300 3.315 3.112 3.392 0.092 9 0 "[ . 1 . 2 ]" 1 812 2 11 LEU HA 2 14 VAL HB 1.800 . 3.300 3.315 3.112 3.392 0.092 9 0 "[ . 1 . 2 ]" 1 813 1 11 LEU QD 1 14 VAL HB 1.800 . 5.000 4.284 3.814 4.882 . 0 0 "[ . 1 . 2 ]" 1 814 2 11 LEU QD 2 14 VAL HB 1.800 . 5.000 4.284 3.814 4.882 . 0 0 "[ . 1 . 2 ]" 1 815 1 11 LEU QD 1 14 VAL QG 1.800 . 5.000 4.061 3.672 4.462 . 0 0 "[ . 1 . 2 ]" 1 816 2 11 LEU QD 2 14 VAL QG 1.800 . 5.000 4.061 3.672 4.462 . 0 0 "[ . 1 . 2 ]" 1 817 1 9 VAL HA 1 12 ILE H 1.800 . 5.000 3.563 3.402 3.826 . 0 0 "[ . 1 . 2 ]" 1 818 2 9 VAL HA 2 12 ILE H 1.800 . 5.000 3.563 3.401 3.825 . 0 0 "[ . 1 . 2 ]" 1 819 1 10 ALA HA 1 12 ILE H 1.800 . 6.000 4.461 4.076 4.902 . 0 0 "[ . 1 . 2 ]" 1 820 2 10 ALA HA 2 12 ILE H 1.800 . 6.000 4.461 4.076 4.901 . 0 0 "[ . 1 . 2 ]" 1 821 1 9 VAL HA 1 13 ASP H 1.800 . 5.000 4.444 4.015 4.796 . 0 0 "[ . 1 . 2 ]" 1 822 2 9 VAL HA 2 13 ASP H 1.800 . 5.000 4.444 4.015 4.797 . 0 0 "[ . 1 . 2 ]" 1 823 1 10 ALA HA 1 13 ASP H 1.800 . 5.000 3.274 3.008 3.662 . 0 0 "[ . 1 . 2 ]" 1 824 2 10 ALA HA 2 13 ASP H 1.800 . 5.000 3.273 3.007 3.662 . 0 0 "[ . 1 . 2 ]" 1 825 1 11 LEU HA 1 13 ASP H 1.800 . 6.000 4.451 4.322 4.583 . 0 0 "[ . 1 . 2 ]" 1 826 2 11 LEU HA 2 13 ASP H 1.800 . 6.000 4.451 4.321 4.582 . 0 0 "[ . 1 . 2 ]" 1 827 1 13 ASP HA 1 16 HIS QB 1.800 . 5.000 3.139 2.575 3.551 . 0 0 "[ . 1 . 2 ]" 1 828 2 13 ASP HA 2 16 HIS QB 1.800 . 5.000 3.139 2.575 3.550 . 0 0 "[ . 1 . 2 ]" 1 829 1 10 ALA HA 1 14 VAL H 1.800 . 5.000 4.252 3.967 4.419 . 0 0 "[ . 1 . 2 ]" 1 830 2 10 ALA HA 2 14 VAL H 1.800 . 5.000 4.252 3.967 4.419 . 0 0 "[ . 1 . 2 ]" 1 831 1 11 LEU HA 1 14 VAL H 1.800 . 3.500 3.632 3.586 3.682 0.182 18 0 "[ . 1 . 2 ]" 1 832 2 11 LEU HA 2 14 VAL H 1.800 . 3.500 3.632 3.586 3.681 0.181 18 0 "[ . 1 . 2 ]" 1 833 1 12 ILE H 1 14 VAL H 1.800 . 5.000 4.390 4.332 4.456 . 0 0 "[ . 1 . 2 ]" 1 834 2 12 ILE H 2 14 VAL H 1.800 . 5.000 4.390 4.332 4.456 . 0 0 "[ . 1 . 2 ]" 1 835 1 12 ILE HA 1 14 VAL H 1.800 . 6.000 4.532 4.457 4.604 . 0 0 "[ . 1 . 2 ]" 1 836 2 12 ILE HA 2 14 VAL H 1.800 . 6.000 4.532 4.457 4.604 . 0 0 "[ . 1 . 2 ]" 1 837 1 14 VAL HA 1 17 GLN QB 1.800 . 3.300 2.308 2.236 2.662 . 0 0 "[ . 1 . 2 ]" 1 838 2 14 VAL HA 2 17 GLN QB 1.800 . 3.300 2.308 2.237 2.661 . 0 0 "[ . 1 . 2 ]" 1 839 1 14 VAL MG1 1 17 GLN QG 1.800 . 5.000 4.232 3.401 4.629 . 0 0 "[ . 1 . 2 ]" 1 840 2 14 VAL MG1 2 17 GLN QG 1.800 . 5.000 4.232 3.401 4.629 . 0 0 "[ . 1 . 2 ]" 1 841 1 14 VAL MG1 1 18 TYR QD 1.800 . 4.200 2.961 2.732 3.195 . 0 0 "[ . 1 . 2 ]" 1 842 2 14 VAL MG1 2 18 TYR QD 1.800 . 4.200 2.961 2.732 3.196 . 0 0 "[ . 1 . 2 ]" 1 843 1 11 LEU HA 1 15 PHE H 1.800 . 5.000 4.062 3.778 4.397 . 0 0 "[ . 1 . 2 ]" 1 844 2 11 LEU HA 2 15 PHE H 1.800 . 5.000 4.063 3.779 4.397 . 0 0 "[ . 1 . 2 ]" 1 845 1 12 ILE HA 1 15 PHE H 1.800 . 5.000 3.521 3.245 3.758 . 0 0 "[ . 1 . 2 ]" 1 846 2 12 ILE HA 2 15 PHE H 1.800 . 5.000 3.521 3.245 3.757 . 0 0 "[ . 1 . 2 ]" 1 847 1 12 ILE HA 1 15 PHE QB 1.800 . 5.000 2.669 2.299 3.112 . 0 0 "[ . 1 . 2 ]" 1 848 2 12 ILE HA 2 15 PHE QB 1.800 . 5.000 2.668 2.299 3.111 . 0 0 "[ . 1 . 2 ]" 1 849 1 13 ASP H 1 15 PHE H 1.800 . 5.000 4.264 4.093 4.436 . 0 0 "[ . 1 . 2 ]" 1 850 2 13 ASP H 2 15 PHE H 1.800 . 5.000 4.264 4.094 4.435 . 0 0 "[ . 1 . 2 ]" 1 851 1 15 PHE H 1 17 GLN H 1.800 . 5.000 4.043 3.920 4.150 . 0 0 "[ . 1 . 2 ]" 1 852 2 15 PHE H 2 17 GLN H 1.800 . 5.000 4.043 3.920 4.150 . 0 0 "[ . 1 . 2 ]" 1 853 1 15 PHE HA 1 18 TYR QB 1.800 . 5.000 3.838 3.676 3.993 . 0 0 "[ . 1 . 2 ]" 1 854 2 15 PHE HA 2 18 TYR QB 1.800 . 5.000 3.837 3.675 3.995 . 0 0 "[ . 1 . 2 ]" 1 855 1 12 ILE HA 1 16 HIS H 1.800 . 5.000 4.036 3.494 4.590 . 0 0 "[ . 1 . 2 ]" 1 856 2 12 ILE HA 2 16 HIS H 1.800 . 5.000 4.036 3.493 4.590 . 0 0 "[ . 1 . 2 ]" 1 857 1 14 VAL H 1 16 HIS H 1.800 . 5.000 4.028 3.886 4.186 . 0 0 "[ . 1 . 2 ]" 1 858 2 14 VAL H 2 16 HIS H 1.800 . 5.000 4.028 3.887 4.186 . 0 0 "[ . 1 . 2 ]" 1 859 1 14 VAL HA 1 16 HIS H 1.800 . 6.000 4.004 3.833 4.189 . 0 0 "[ . 1 . 2 ]" 1 860 2 14 VAL HA 2 16 HIS H 1.800 . 6.000 4.005 3.833 4.189 . 0 0 "[ . 1 . 2 ]" 1 861 1 14 VAL HA 1 17 GLN H 1.800 . 5.000 2.938 2.792 3.120 . 0 0 "[ . 1 . 2 ]" 1 862 2 14 VAL HA 2 17 GLN H 1.800 . 5.000 2.938 2.791 3.120 . 0 0 "[ . 1 . 2 ]" 1 863 1 14 VAL MG1 1 17 GLN H 1.800 . 6.000 4.194 4.039 4.400 . 0 0 "[ . 1 . 2 ]" 1 864 2 14 VAL MG1 2 17 GLN H 1.800 . 6.000 4.194 4.040 4.400 . 0 0 "[ . 1 . 2 ]" 1 865 1 14 VAL HA 1 18 TYR H 1.800 . 5.000 4.381 4.180 4.576 . 0 0 "[ . 1 . 2 ]" 1 866 2 14 VAL HA 2 18 TYR H 1.800 . 5.000 4.380 4.180 4.576 . 0 0 "[ . 1 . 2 ]" 1 867 1 16 HIS HA 1 18 TYR H 1.800 . 6.000 4.320 4.232 4.392 . 0 0 "[ . 1 . 2 ]" 1 868 2 16 HIS HA 2 18 TYR H 1.800 . 6.000 4.320 4.231 4.394 . 0 0 "[ . 1 . 2 ]" 1 869 1 16 HIS HA 1 19 SER H 1.800 . 5.000 3.286 3.113 3.375 . 0 0 "[ . 1 . 2 ]" 1 870 2 16 HIS HA 2 19 SER H 1.800 . 5.000 3.286 3.112 3.376 . 0 0 "[ . 1 . 2 ]" 1 871 1 17 GLN H 1 19 SER H 1.800 . 5.000 4.285 4.140 4.357 . 0 0 "[ . 1 . 2 ]" 1 872 2 17 GLN H 2 19 SER H 1.800 . 5.000 4.285 4.140 4.358 . 0 0 "[ . 1 . 2 ]" 1 873 1 25 LYS HA 1 27 LYS H 1.800 . 6.000 4.460 4.032 4.664 . 0 0 "[ . 1 . 2 ]" 1 874 2 25 LYS HA 2 27 LYS H 1.800 . 6.000 4.460 4.031 4.664 . 0 0 "[ . 1 . 2 ]" 1 875 1 28 LEU QD 1 32 GLU QB 1.800 . 6.000 2.546 2.001 2.917 . 0 0 "[ . 1 . 2 ]" 1 876 2 28 LEU QD 2 32 GLU QB 1.800 . 6.000 2.546 2.001 2.918 . 0 0 "[ . 1 . 2 ]" 1 877 1 28 LEU QD 1 33 LEU HA 1.800 . 5.000 2.458 2.252 3.176 . 0 0 "[ . 1 . 2 ]" 1 878 2 28 LEU QD 2 33 LEU HA 1.800 . 5.000 2.458 2.252 3.176 . 0 0 "[ . 1 . 2 ]" 1 879 1 30 LYS H 1 32 GLU H 1.800 . 6.000 4.377 4.293 4.441 . 0 0 "[ . 1 . 2 ]" 1 880 2 30 LYS H 2 32 GLU H 1.800 . 6.000 4.378 4.293 4.442 . 0 0 "[ . 1 . 2 ]" 1 881 1 29 LYS HA 1 31 SER H 1.800 . 6.000 4.321 4.218 4.394 . 0 0 "[ . 1 . 2 ]" 1 882 2 29 LYS HA 2 31 SER H 1.800 . 6.000 4.322 4.218 4.394 . 0 0 "[ . 1 . 2 ]" 1 883 1 29 LYS QB 1 31 SER H 1.800 . 6.000 2.873 2.656 3.356 . 0 0 "[ . 1 . 2 ]" 1 884 2 29 LYS QB 2 31 SER H 1.800 . 6.000 2.873 2.656 3.356 . 0 0 "[ . 1 . 2 ]" 1 885 1 29 LYS H 1 32 GLU H 1.800 . 6.000 4.020 3.849 4.166 . 0 0 "[ . 1 . 2 ]" 1 886 2 29 LYS H 2 32 GLU H 1.800 . 6.000 4.020 3.850 4.167 . 0 0 "[ . 1 . 2 ]" 1 887 1 32 GLU HA 1 35 GLU QB 1.800 . 4.200 3.098 2.856 3.355 . 0 0 "[ . 1 . 2 ]" 1 888 2 32 GLU HA 2 35 GLU QB 1.800 . 4.200 3.098 2.855 3.356 . 0 0 "[ . 1 . 2 ]" 1 889 1 30 LYS HA 1 33 LEU H 1.800 . 3.500 3.389 3.247 3.512 0.012 7 0 "[ . 1 . 2 ]" 1 890 2 30 LYS HA 2 33 LEU H 1.800 . 3.500 3.389 3.247 3.512 0.012 7 0 "[ . 1 . 2 ]" 1 891 1 30 LYS HA 1 33 LEU QD 1.800 . 5.000 3.156 2.993 3.346 . 0 0 "[ . 1 . 2 ]" 1 892 2 30 LYS HA 2 33 LEU QD 1.800 . 5.000 3.156 2.993 3.345 . 0 0 "[ . 1 . 2 ]" 1 893 1 31 SER H 1 33 LEU H 1.800 . 5.000 4.090 3.964 4.222 . 0 0 "[ . 1 . 2 ]" 1 894 2 31 SER H 2 33 LEU H 1.800 . 5.000 4.091 3.964 4.222 . 0 0 "[ . 1 . 2 ]" 1 895 1 31 SER HA 1 33 LEU H 1.800 . 6.000 4.537 4.402 4.752 . 0 0 "[ . 1 . 2 ]" 1 896 2 31 SER HA 2 33 LEU H 1.800 . 6.000 4.537 4.401 4.753 . 0 0 "[ . 1 . 2 ]" 1 897 1 33 LEU QD 1 37 ILE MD 1.800 . 3.300 2.588 2.203 3.151 . 0 0 "[ . 1 . 2 ]" 1 898 2 33 LEU QD 2 37 ILE MD 1.800 . 3.300 2.588 2.204 3.151 . 0 0 "[ . 1 . 2 ]" 1 899 1 30 LYS HA 1 34 LYS H 1.800 . 5.000 3.831 3.530 4.053 . 0 0 "[ . 1 . 2 ]" 1 900 2 30 LYS HA 2 34 LYS H 1.800 . 5.000 3.831 3.530 4.053 . 0 0 "[ . 1 . 2 ]" 1 901 1 31 SER HA 1 34 LYS H 1.800 . 4.200 3.778 3.630 3.886 . 0 0 "[ . 1 . 2 ]" 1 902 2 31 SER HA 2 34 LYS H 1.800 . 4.200 3.778 3.631 3.888 . 0 0 "[ . 1 . 2 ]" 1 903 1 31 SER HA 1 34 LYS QB 1.800 . 4.200 3.213 3.128 3.285 . 0 0 "[ . 1 . 2 ]" 1 904 2 31 SER HA 2 34 LYS QB 1.800 . 4.200 3.213 3.129 3.285 . 0 0 "[ . 1 . 2 ]" 1 905 1 32 GLU H 1 34 LYS H 1.800 . 5.000 4.112 4.041 4.180 . 0 0 "[ . 1 . 2 ]" 1 906 2 32 GLU H 2 34 LYS H 1.800 . 5.000 4.112 4.041 4.180 . 0 0 "[ . 1 . 2 ]" 1 907 1 31 SER HA 1 35 GLU H 1.800 . 5.000 4.635 4.522 4.753 . 0 0 "[ . 1 . 2 ]" 1 908 2 31 SER HA 2 35 GLU H 1.800 . 5.000 4.635 4.521 4.753 . 0 0 "[ . 1 . 2 ]" 1 909 1 32 GLU HA 1 35 GLU H 1.800 . 5.000 3.583 3.458 3.865 . 0 0 "[ . 1 . 2 ]" 1 910 2 32 GLU HA 2 35 GLU H 1.800 . 5.000 3.583 3.457 3.866 . 0 0 "[ . 1 . 2 ]" 1 911 1 33 LEU H 1 35 GLU H 1.800 . 5.000 4.540 4.436 4.630 . 0 0 "[ . 1 . 2 ]" 1 912 2 33 LEU H 2 35 GLU H 1.800 . 5.000 4.540 4.436 4.630 . 0 0 "[ . 1 . 2 ]" 1 913 1 33 LEU HA 1 35 GLU H 1.800 . 6.000 4.737 4.670 4.779 . 0 0 "[ . 1 . 2 ]" 1 914 2 33 LEU HA 2 35 GLU H 1.800 . 6.000 4.737 4.670 4.780 . 0 0 "[ . 1 . 2 ]" 1 915 1 33 LEU HA 1 36 LEU H 1.800 . 4.200 3.310 3.239 3.398 . 0 0 "[ . 1 . 2 ]" 1 916 2 33 LEU HA 2 36 LEU H 1.800 . 4.200 3.311 3.240 3.398 . 0 0 "[ . 1 . 2 ]" 1 917 1 33 LEU HA 1 36 LEU QB 1.800 . 4.200 2.510 2.308 2.827 . 0 0 "[ . 1 . 2 ]" 1 918 2 33 LEU HA 2 36 LEU QB 1.800 . 4.200 2.510 2.308 2.828 . 0 0 "[ . 1 . 2 ]" 1 919 1 33 LEU QD 1 36 LEU QD 1.800 . 5.000 2.868 2.355 3.837 . 0 0 "[ . 1 . 2 ]" 1 920 2 33 LEU QD 2 36 LEU QD 1.800 . 5.000 2.868 2.355 3.837 . 0 0 "[ . 1 . 2 ]" 1 921 1 34 LYS H 1 36 LEU H 1.800 . 5.000 4.087 4.032 4.167 . 0 0 "[ . 1 . 2 ]" 1 922 2 34 LYS H 2 36 LEU H 1.800 . 5.000 4.087 4.032 4.167 . 0 0 "[ . 1 . 2 ]" 1 923 1 36 LEU H 1 38 ASN H 1.800 . 5.000 4.091 4.012 4.228 . 0 0 "[ . 1 . 2 ]" 1 924 2 36 LEU H 2 38 ASN H 1.800 . 5.000 4.090 4.012 4.229 . 0 0 "[ . 1 . 2 ]" 1 925 1 36 LEU HA 1 39 ASN QB 1.800 . 5.000 3.386 3.152 3.670 . 0 0 "[ . 1 . 2 ]" 1 926 2 36 LEU HA 2 39 ASN QB 1.800 . 5.000 3.386 3.152 3.669 . 0 0 "[ . 1 . 2 ]" 1 927 1 33 LEU HA 1 37 ILE H 1.800 . 5.000 4.318 3.988 4.573 . 0 0 "[ . 1 . 2 ]" 1 928 2 33 LEU HA 2 37 ILE H 1.800 . 5.000 4.319 3.989 4.574 . 0 0 "[ . 1 . 2 ]" 1 929 1 34 LYS HA 1 37 ILE H 1.800 . 4.200 3.241 3.131 3.387 . 0 0 "[ . 1 . 2 ]" 1 930 2 34 LYS HA 2 37 ILE H 1.800 . 4.200 3.241 3.131 3.387 . 0 0 "[ . 1 . 2 ]" 1 931 1 34 LYS HA 1 37 ILE HB 1.800 . 5.000 2.929 2.581 3.222 . 0 0 "[ . 1 . 2 ]" 1 932 2 34 LYS HA 2 37 ILE HB 1.800 . 5.000 2.929 2.580 3.222 . 0 0 "[ . 1 . 2 ]" 1 933 1 35 GLU H 1 37 ILE H 1.800 . 5.000 4.393 4.249 4.553 . 0 0 "[ . 1 . 2 ]" 1 934 2 35 GLU H 2 37 ILE H 1.800 . 5.000 4.393 4.249 4.553 . 0 0 "[ . 1 . 2 ]" 1 935 1 37 ILE H 1 39 ASN H 1.800 . 5.000 4.407 4.164 4.756 . 0 0 "[ . 1 . 2 ]" 1 936 2 37 ILE H 2 39 ASN H 1.800 . 5.000 4.408 4.164 4.757 . 0 0 "[ . 1 . 2 ]" 1 937 1 34 LYS HA 1 38 ASN H 1.800 . 5.000 4.469 4.330 4.627 . 0 0 "[ . 1 . 2 ]" 1 938 2 34 LYS HA 2 38 ASN H 1.800 . 5.000 4.468 4.329 4.628 . 0 0 "[ . 1 . 2 ]" 1 939 1 35 GLU HA 1 38 ASN H 1.800 . 3.500 3.480 3.225 3.543 0.043 10 0 "[ . 1 . 2 ]" 1 940 2 35 GLU HA 2 38 ASN H 1.800 . 3.500 3.480 3.224 3.543 0.043 10 0 "[ . 1 . 2 ]" 1 941 1 35 GLU HA 1 38 ASN QB 1.800 . 4.200 2.918 2.628 3.239 . 0 0 "[ . 1 . 2 ]" 1 942 2 35 GLU HA 2 38 ASN QB 1.800 . 4.200 2.918 2.627 3.239 . 0 0 "[ . 1 . 2 ]" 1 943 1 38 ASN H 1 40 GLU H 1.800 . 6.000 3.979 3.810 4.192 . 0 0 "[ . 1 . 2 ]" 1 944 2 38 ASN H 2 40 GLU H 1.800 . 6.000 3.979 3.811 4.191 . 0 0 "[ . 1 . 2 ]" 1 945 1 35 GLU HA 1 39 ASN H 1.800 . 5.000 4.749 4.465 4.915 . 0 0 "[ . 1 . 2 ]" 1 946 2 35 GLU HA 2 39 ASN H 1.800 . 5.000 4.749 4.465 4.915 . 0 0 "[ . 1 . 2 ]" 1 947 1 36 LEU HA 1 39 ASN H 1.800 . 4.200 3.415 3.238 3.610 . 0 0 "[ . 1 . 2 ]" 1 948 2 36 LEU HA 2 39 ASN H 1.800 . 4.200 3.415 3.239 3.611 . 0 0 "[ . 1 . 2 ]" 1 949 1 36 LEU HA 1 40 GLU H 1.800 . 5.000 4.243 3.730 4.693 . 0 0 "[ . 1 . 2 ]" 1 950 2 36 LEU HA 2 40 GLU H 1.800 . 5.000 4.244 3.729 4.694 . 0 0 "[ . 1 . 2 ]" 1 951 1 37 ILE HA 1 40 GLU H 1.800 . 6.000 3.487 3.099 3.780 . 0 0 "[ . 1 . 2 ]" 1 952 2 37 ILE HA 2 40 GLU H 1.800 . 6.000 3.487 3.099 3.780 . 0 0 "[ . 1 . 2 ]" 1 953 1 36 LEU QD 1 41 LEU QD 1.800 . 5.000 4.630 3.149 5.003 0.003 16 0 "[ . 1 . 2 ]" 1 954 2 36 LEU QD 2 41 LEU QD 1.800 . 5.000 4.630 3.149 5.003 0.003 16 0 "[ . 1 . 2 ]" 1 955 1 37 ILE HA 1 41 LEU H 1.800 . 5.000 3.284 2.910 3.739 . 0 0 "[ . 1 . 2 ]" 1 956 2 37 ILE HA 2 41 LEU H 1.800 . 5.000 3.284 2.911 3.739 . 0 0 "[ . 1 . 2 ]" 1 957 1 37 ILE HA 1 41 LEU QD 1.800 . 3.300 2.853 2.355 3.334 0.034 10 0 "[ . 1 . 2 ]" 1 958 2 37 ILE HA 2 41 LEU QD 1.800 . 3.300 2.853 2.355 3.333 0.033 10 0 "[ . 1 . 2 ]" 1 959 1 38 ASN HA 1 41 LEU H 1.800 . 6.000 4.302 3.846 4.686 . 0 0 "[ . 1 . 2 ]" 1 960 2 38 ASN HA 2 41 LEU H 1.800 . 6.000 4.302 3.845 4.686 . 0 0 "[ . 1 . 2 ]" 1 961 1 41 LEU QD 1 44 PHE QE 1.800 . 5.000 3.896 3.166 4.773 . 0 0 "[ . 1 . 2 ]" 1 962 2 41 LEU QD 2 44 PHE QE 1.800 . 5.000 3.895 3.166 4.773 . 0 0 "[ . 1 . 2 ]" 1 963 1 38 ASN HA 1 42 SER H 1.800 . 6.000 5.064 4.500 5.632 . 0 0 "[ . 1 . 2 ]" 1 964 2 38 ASN HA 2 42 SER H 1.800 . 6.000 5.064 4.499 5.632 . 0 0 "[ . 1 . 2 ]" 1 965 1 40 GLU H 1 42 SER H 1.800 . 6.000 3.707 3.196 3.995 . 0 0 "[ . 1 . 2 ]" 1 966 2 40 GLU H 2 42 SER H 1.800 . 6.000 3.707 3.195 3.995 . 0 0 "[ . 1 . 2 ]" 1 967 1 41 LEU HA 1 43 HIS H 1.800 . 6.000 3.544 3.313 4.185 . 0 0 "[ . 1 . 2 ]" 1 968 2 41 LEU HA 2 43 HIS H 1.800 . 6.000 3.544 3.313 4.185 . 0 0 "[ . 1 . 2 ]" 1 969 1 41 LEU HA 1 44 PHE H 1.800 . 6.000 3.414 3.170 3.570 . 0 0 "[ . 1 . 2 ]" 1 970 2 41 LEU HA 2 44 PHE H 1.800 . 6.000 3.414 3.169 3.570 . 0 0 "[ . 1 . 2 ]" 1 971 1 41 LEU QD 1 44 PHE H 1.800 . 6.000 4.207 3.617 4.727 . 0 0 "[ . 1 . 2 ]" 1 972 2 41 LEU QD 2 44 PHE H 1.800 . 6.000 4.207 3.617 4.727 . 0 0 "[ . 1 . 2 ]" 1 973 1 41 LEU QD 1 44 PHE QD 1.800 . 5.000 2.995 2.310 3.935 . 0 0 "[ . 1 . 2 ]" 1 974 2 41 LEU QD 2 44 PHE QD 1.800 . 5.000 2.995 2.311 3.935 . 0 0 "[ . 1 . 2 ]" 1 975 1 45 LEU QD 1 48 ILE MD 1.800 . 3.300 2.832 2.008 3.339 0.039 16 0 "[ . 1 . 2 ]" 1 976 2 45 LEU QD 2 48 ILE MD 1.800 . 3.300 2.832 2.008 3.340 0.040 16 0 "[ . 1 . 2 ]" 1 977 1 45 LEU QD 1 48 ILE QG 1.800 . 5.000 2.855 2.196 3.988 . 0 0 "[ . 1 . 2 ]" 1 978 2 45 LEU QD 2 48 ILE QG 1.800 . 5.000 2.855 2.196 3.988 . 0 0 "[ . 1 . 2 ]" 1 979 1 45 LEU HA 1 47 GLU H 1.800 . 5.000 4.429 4.050 4.610 . 0 0 "[ . 1 . 2 ]" 1 980 2 45 LEU HA 2 47 GLU H 1.800 . 5.000 4.429 4.050 4.610 . 0 0 "[ . 1 . 2 ]" 1 981 1 45 LEU QD 1 47 GLU H 1.800 . 5.000 4.883 4.566 5.093 0.093 20 0 "[ . 1 . 2 ]" 1 982 2 45 LEU QD 2 47 GLU H 1.800 . 5.000 4.883 4.566 5.094 0.094 20 0 "[ . 1 . 2 ]" 1 983 1 45 LEU HA 1 48 ILE MD 1.800 . 5.000 2.627 2.066 3.108 . 0 0 "[ . 1 . 2 ]" 1 984 2 45 LEU HA 2 48 ILE MD 1.800 . 5.000 2.628 2.065 3.108 . 0 0 "[ . 1 . 2 ]" 1 985 1 45 LEU QD 1 48 ILE MG 1.800 . 5.000 3.713 3.290 4.383 . 0 0 "[ . 1 . 2 ]" 1 986 2 45 LEU QD 2 48 ILE MG 1.800 . 5.000 3.713 3.291 4.384 . 0 0 "[ . 1 . 2 ]" 1 987 1 48 ILE MG 1 51 GLN HA 1.800 . 3.300 2.692 2.277 3.129 . 0 0 "[ . 1 . 2 ]" 1 988 2 48 ILE MG 2 51 GLN HA 1.800 . 3.300 2.692 2.277 3.130 . 0 0 "[ . 1 . 2 ]" 1 989 1 48 ILE MG 1 51 GLN QB 1.800 . 5.000 3.888 3.287 4.456 . 0 0 "[ . 1 . 2 ]" 1 990 2 48 ILE MG 2 51 GLN QB 1.800 . 5.000 3.888 3.287 4.457 . 0 0 "[ . 1 . 2 ]" 1 991 1 48 ILE HA 1 50 GLU H 1.800 . 5.000 4.097 3.776 4.368 . 0 0 "[ . 1 . 2 ]" 1 992 2 48 ILE HA 2 50 GLU H 1.800 . 5.000 4.097 3.776 4.368 . 0 0 "[ . 1 . 2 ]" 1 993 1 48 ILE MG 1 50 GLU H 1.800 . 3.500 3.276 2.877 3.515 0.015 16 0 "[ . 1 . 2 ]" 1 994 2 48 ILE MG 2 50 GLU H 1.800 . 3.500 3.276 2.877 3.516 0.016 16 0 "[ . 1 . 2 ]" 1 995 1 51 GLN HA 1 54 VAL HB 1.800 . 3.300 3.202 3.002 3.326 0.026 9 0 "[ . 1 . 2 ]" 1 996 2 51 GLN HA 2 54 VAL HB 1.800 . 3.300 3.201 3.001 3.325 0.025 9 0 "[ . 1 . 2 ]" 1 997 1 51 GLN H 1 53 VAL H 1.800 . 6.000 4.248 3.974 4.517 . 0 0 "[ . 1 . 2 ]" 1 998 2 51 GLN H 2 53 VAL H 1.800 . 6.000 4.248 3.973 4.517 . 0 0 "[ . 1 . 2 ]" 1 999 1 52 GLU H 1 54 VAL H 1.800 . 5.000 4.428 4.358 4.507 . 0 0 "[ . 1 . 2 ]" 1 1000 2 52 GLU H 2 54 VAL H 1.800 . 5.000 4.428 4.357 4.507 . 0 0 "[ . 1 . 2 ]" 1 1001 1 52 GLU HA 1 55 ASP QB 1.800 . 5.000 2.298 2.193 2.422 . 0 0 "[ . 1 . 2 ]" 1 1002 2 52 GLU HA 2 55 ASP QB 1.800 . 5.000 2.298 2.194 2.423 . 0 0 "[ . 1 . 2 ]" 1 1003 1 53 VAL HA 1 56 LYS QB 1.800 . 3.300 3.247 3.170 3.324 0.024 14 0 "[ . 1 . 2 ]" 1 1004 2 53 VAL HA 2 56 LYS QB 1.800 . 3.300 3.247 3.170 3.325 0.025 14 0 "[ . 1 . 2 ]" 1 1005 1 51 GLN HA 1 54 VAL H 1.800 . 4.200 3.529 3.438 3.607 . 0 0 "[ . 1 . 2 ]" 1 1006 2 51 GLN HA 2 54 VAL H 1.800 . 4.200 3.528 3.437 3.606 . 0 0 "[ . 1 . 2 ]" 1 1007 1 51 GLN HA 1 54 VAL MG2 1.800 . 5.000 3.474 3.122 3.712 . 0 0 "[ . 1 . 2 ]" 1 1008 2 51 GLN HA 2 54 VAL MG2 1.800 . 5.000 3.474 3.122 3.711 . 0 0 "[ . 1 . 2 ]" 1 1009 1 52 GLU HA 1 54 VAL H 1.800 . 6.000 4.597 4.456 4.731 . 0 0 "[ . 1 . 2 ]" 1 1010 2 52 GLU HA 2 54 VAL H 1.800 . 6.000 4.598 4.458 4.731 . 0 0 "[ . 1 . 2 ]" 1 1011 1 54 VAL HA 1 57 VAL HB 1.800 . 3.500 2.707 2.506 2.853 . 0 0 "[ . 1 . 2 ]" 1 1012 2 54 VAL HA 2 57 VAL HB 1.800 . 3.500 2.707 2.505 2.853 . 0 0 "[ . 1 . 2 ]" 1 1013 1 54 VAL H 1 57 VAL MG2 1.800 . 6.000 4.415 4.271 4.794 . 0 0 "[ . 1 . 2 ]" 1 1014 2 54 VAL H 2 57 VAL MG2 1.800 . 6.000 4.415 4.271 4.794 . 0 0 "[ . 1 . 2 ]" 1 1015 1 51 GLN HA 1 55 ASP H 1.800 . 5.000 4.184 4.080 4.512 . 0 0 "[ . 1 . 2 ]" 1 1016 2 51 GLN HA 2 55 ASP H 1.800 . 5.000 4.184 4.079 4.511 . 0 0 "[ . 1 . 2 ]" 1 1017 1 52 GLU HA 1 55 ASP H 1.800 . 3.500 3.278 3.180 3.402 . 0 0 "[ . 1 . 2 ]" 1 1018 2 52 GLU HA 2 55 ASP H 1.800 . 3.500 3.278 3.181 3.401 . 0 0 "[ . 1 . 2 ]" 1 1019 1 53 VAL H 1 55 ASP H 1.800 . 5.000 3.704 3.616 3.774 . 0 0 "[ . 1 . 2 ]" 1 1020 2 53 VAL H 2 55 ASP H 1.800 . 5.000 3.704 3.615 3.774 . 0 0 "[ . 1 . 2 ]" 1 1021 1 53 VAL HA 1 55 ASP H 1.800 . 6.000 4.242 4.178 4.308 . 0 0 "[ . 1 . 2 ]" 1 1022 2 53 VAL HA 2 55 ASP H 1.800 . 6.000 4.242 4.178 4.309 . 0 0 "[ . 1 . 2 ]" 1 1023 1 55 ASP HA 1 58 MET QB 1.800 . 3.300 3.238 3.028 3.328 0.028 9 0 "[ . 1 . 2 ]" 1 1024 2 55 ASP HA 2 58 MET QB 1.800 . 3.300 3.238 3.028 3.329 0.029 9 0 "[ . 1 . 2 ]" 1 1025 1 52 GLU HA 1 56 LYS H 1.800 . 5.000 4.118 3.934 4.245 . 0 0 "[ . 1 . 2 ]" 1 1026 2 52 GLU HA 2 56 LYS H 1.800 . 5.000 4.118 3.934 4.244 . 0 0 "[ . 1 . 2 ]" 1 1027 1 53 VAL HA 1 56 LYS H 1.800 . 3.500 3.533 3.466 3.558 0.058 9 0 "[ . 1 . 2 ]" 1 1028 2 53 VAL HA 2 56 LYS H 1.800 . 3.500 3.533 3.467 3.558 0.058 9 0 "[ . 1 . 2 ]" 1 1029 1 54 VAL H 1 56 LYS H 1.800 . 5.000 4.391 4.302 4.487 . 0 0 "[ . 1 . 2 ]" 1 1030 2 54 VAL H 2 56 LYS H 1.800 . 5.000 4.392 4.302 4.487 . 0 0 "[ . 1 . 2 ]" 1 1031 1 54 VAL HA 1 56 LYS H 1.800 . 6.000 4.401 4.244 4.579 . 0 0 "[ . 1 . 2 ]" 1 1032 2 54 VAL HA 2 56 LYS H 1.800 . 6.000 4.400 4.245 4.579 . 0 0 "[ . 1 . 2 ]" 1 1033 1 56 LYS H 1 58 MET H 1.800 . 5.000 4.620 4.568 4.668 . 0 0 "[ . 1 . 2 ]" 1 1034 2 56 LYS H 2 58 MET H 1.800 . 5.000 4.620 4.569 4.668 . 0 0 "[ . 1 . 2 ]" 1 1035 1 56 LYS HA 1 59 GLU QB 1.800 . 2.900 2.512 2.375 2.651 . 0 0 "[ . 1 . 2 ]" 1 1036 2 56 LYS HA 2 59 GLU QB 1.800 . 2.900 2.512 2.375 2.651 . 0 0 "[ . 1 . 2 ]" 1 1037 1 53 VAL HA 1 57 VAL H 1.800 . 5.000 4.645 4.552 4.795 . 0 0 "[ . 1 . 2 ]" 1 1038 2 53 VAL HA 2 57 VAL H 1.800 . 5.000 4.645 4.553 4.796 . 0 0 "[ . 1 . 2 ]" 1 1039 1 54 VAL HA 1 57 VAL H 1.800 . 3.500 3.249 3.177 3.389 . 0 0 "[ . 1 . 2 ]" 1 1040 2 54 VAL HA 2 57 VAL H 1.800 . 3.500 3.249 3.176 3.388 . 0 0 "[ . 1 . 2 ]" 1 1041 1 54 VAL HA 1 57 VAL MG2 1.800 . 3.300 2.492 2.282 2.762 . 0 0 "[ . 1 . 2 ]" 1 1042 2 54 VAL HA 2 57 VAL MG2 1.800 . 3.300 2.492 2.282 2.762 . 0 0 "[ . 1 . 2 ]" 1 1043 1 55 ASP H 1 57 VAL H 1.800 . 5.000 4.005 3.953 4.117 . 0 0 "[ . 1 . 2 ]" 1 1044 2 55 ASP H 2 57 VAL H 1.800 . 5.000 4.006 3.954 4.117 . 0 0 "[ . 1 . 2 ]" 1 1045 1 57 VAL HA 1 60 THR HB 1.800 . 5.000 3.074 2.409 4.293 . 0 0 "[ . 1 . 2 ]" 1 1046 2 57 VAL HA 2 60 THR HB 1.800 . 5.000 3.074 2.408 4.293 . 0 0 "[ . 1 . 2 ]" 1 1047 1 54 VAL HA 1 58 MET H 1.800 . 5.000 4.245 4.083 4.441 . 0 0 "[ . 1 . 2 ]" 1 1048 2 54 VAL HA 2 58 MET H 1.800 . 5.000 4.245 4.083 4.441 . 0 0 "[ . 1 . 2 ]" 1 1049 1 55 ASP HA 1 58 MET H 1.800 . 5.000 3.796 3.726 3.863 . 0 0 "[ . 1 . 2 ]" 1 1050 2 55 ASP HA 2 58 MET H 1.800 . 5.000 3.796 3.725 3.864 . 0 0 "[ . 1 . 2 ]" 1 1051 1 58 MET HA 1 61 LEU QB 1.800 . 4.200 2.961 2.769 3.145 . 0 0 "[ . 1 . 2 ]" 1 1052 2 58 MET HA 2 61 LEU QB 1.800 . 4.200 2.960 2.767 3.145 . 0 0 "[ . 1 . 2 ]" 1 1053 1 58 MET ME 1 61 LEU QD 1.800 . 6.000 4.003 2.959 4.896 . 0 0 "[ . 1 . 2 ]" 1 1054 2 58 MET ME 2 61 LEU QD 1.800 . 6.000 4.003 2.959 4.896 . 0 0 "[ . 1 . 2 ]" 1 1055 1 55 ASP HA 1 59 GLU H 1.800 . 5.000 4.710 4.574 4.897 . 0 0 "[ . 1 . 2 ]" 1 1056 2 55 ASP HA 2 59 GLU H 1.800 . 5.000 4.710 4.575 4.896 . 0 0 "[ . 1 . 2 ]" 1 1057 1 56 LYS HA 1 59 GLU H 1.800 . 3.500 3.254 3.157 3.328 . 0 0 "[ . 1 . 2 ]" 1 1058 2 56 LYS HA 2 59 GLU H 1.800 . 3.500 3.254 3.156 3.327 . 0 0 "[ . 1 . 2 ]" 1 1059 1 57 VAL HA 1 59 GLU H 1.800 . 6.000 3.981 3.926 4.053 . 0 0 "[ . 1 . 2 ]" 1 1060 2 57 VAL HA 2 59 GLU H 1.800 . 6.000 3.980 3.925 4.052 . 0 0 "[ . 1 . 2 ]" 1 1061 1 59 GLU HA 1 62 ASP QB 1.800 . 2.900 2.414 2.328 2.569 . 0 0 "[ . 1 . 2 ]" 1 1062 2 59 GLU HA 2 62 ASP QB 1.800 . 2.900 2.414 2.328 2.569 . 0 0 "[ . 1 . 2 ]" 1 1063 1 56 LYS HA 1 60 THR H 1.800 . 5.000 3.873 3.626 4.108 . 0 0 "[ . 1 . 2 ]" 1 1064 2 56 LYS HA 2 60 THR H 1.800 . 5.000 3.872 3.625 4.108 . 0 0 "[ . 1 . 2 ]" 1 1065 1 57 VAL HA 1 60 THR H 1.800 . 3.500 3.169 3.019 3.310 . 0 0 "[ . 1 . 2 ]" 1 1066 2 57 VAL HA 2 60 THR H 1.800 . 3.500 3.169 3.018 3.310 . 0 0 "[ . 1 . 2 ]" 1 1067 1 60 THR HA 1 63 GLU QB 1.800 . 4.200 2.374 2.307 2.564 . 0 0 "[ . 1 . 2 ]" 1 1068 2 60 THR HA 2 63 GLU QB 1.800 . 4.200 2.372 2.306 2.564 . 0 0 "[ . 1 . 2 ]" 1 1069 1 57 VAL HA 1 61 LEU H 1.800 . 6.000 3.672 3.378 3.913 . 0 0 "[ . 1 . 2 ]" 1 1070 2 57 VAL HA 2 61 LEU H 1.800 . 6.000 3.672 3.378 3.912 . 0 0 "[ . 1 . 2 ]" 1 1071 1 58 MET HA 1 61 LEU H 1.800 . 4.200 3.791 3.637 3.973 . 0 0 "[ . 1 . 2 ]" 1 1072 2 58 MET HA 2 61 LEU H 1.800 . 4.200 3.790 3.637 3.973 . 0 0 "[ . 1 . 2 ]" 1 1073 1 58 MET HA 1 61 LEU QD 1.800 . 5.000 3.093 2.423 3.734 . 0 0 "[ . 1 . 2 ]" 1 1074 2 58 MET HA 2 61 LEU QD 1.800 . 5.000 3.093 2.423 3.734 . 0 0 "[ . 1 . 2 ]" 1 1075 1 59 GLU HA 1 61 LEU H 1.800 . 6.000 4.515 4.302 4.634 . 0 0 "[ . 1 . 2 ]" 1 1076 2 59 GLU HA 2 61 LEU H 1.800 . 6.000 4.515 4.301 4.636 . 0 0 "[ . 1 . 2 ]" 1 1077 1 58 MET HA 1 62 ASP H 1.800 . 5.000 3.768 3.559 3.915 . 0 0 "[ . 1 . 2 ]" 1 1078 2 58 MET HA 2 62 ASP H 1.800 . 5.000 3.767 3.558 3.912 . 0 0 "[ . 1 . 2 ]" 1 1079 1 59 GLU HA 1 62 ASP H 1.800 . 3.500 3.544 3.511 3.574 0.074 20 0 "[ . 1 . 2 ]" 1 1080 2 59 GLU HA 2 62 ASP H 1.800 . 3.500 3.544 3.510 3.575 0.075 20 0 "[ . 1 . 2 ]" 1 1081 1 60 THR H 1 62 ASP H 1.800 . 6.000 4.289 4.236 4.360 . 0 0 "[ . 1 . 2 ]" 1 1082 2 60 THR H 2 62 ASP H 1.800 . 6.000 4.289 4.236 4.359 . 0 0 "[ . 1 . 2 ]" 1 1083 1 59 GLU HA 1 63 GLU H 1.800 . 5.000 4.122 3.952 4.269 . 0 0 "[ . 1 . 2 ]" 1 1084 2 59 GLU HA 2 63 GLU H 1.800 . 5.000 4.122 3.953 4.269 . 0 0 "[ . 1 . 2 ]" 1 1085 1 60 THR HA 1 63 GLU H 1.800 . 4.200 3.390 3.265 3.597 . 0 0 "[ . 1 . 2 ]" 1 1086 2 60 THR HA 2 63 GLU H 1.800 . 4.200 3.391 3.266 3.598 . 0 0 "[ . 1 . 2 ]" 1 1087 1 61 LEU H 1 63 GLU H 1.800 . 5.000 3.746 3.646 3.819 . 0 0 "[ . 1 . 2 ]" 1 1088 2 61 LEU H 2 63 GLU H 1.800 . 5.000 3.747 3.646 3.819 . 0 0 "[ . 1 . 2 ]" 1 1089 1 61 LEU HA 1 63 GLU H 1.800 . 5.000 3.737 3.614 3.864 . 0 0 "[ . 1 . 2 ]" 1 1090 2 61 LEU HA 2 63 GLU H 1.800 . 5.000 3.737 3.614 3.864 . 0 0 "[ . 1 . 2 ]" 1 1091 1 61 LEU QB 1 63 GLU H 1.800 . 6.000 4.193 4.108 4.245 . 0 0 "[ . 1 . 2 ]" 1 1092 2 61 LEU QB 2 63 GLU H 1.800 . 6.000 4.193 4.108 4.244 . 0 0 "[ . 1 . 2 ]" 1 1093 1 61 LEU HA 1 64 ASP H 1.800 . 5.000 4.250 4.158 4.384 . 0 0 "[ . 1 . 2 ]" 1 1094 2 61 LEU HA 2 64 ASP H 1.800 . 5.000 4.251 4.158 4.384 . 0 0 "[ . 1 . 2 ]" 1 1095 1 63 GLU HA 1 65 GLY H 1.800 . 5.000 3.228 3.124 3.386 . 0 0 "[ . 1 . 2 ]" 1 1096 2 63 GLU HA 2 65 GLY H 1.800 . 5.000 3.244 3.140 3.409 . 0 0 "[ . 1 . 2 ]" 1 1097 1 63 GLU QB 1 65 GLY H 1.800 . 6.000 4.099 3.955 4.260 . 0 0 "[ . 1 . 2 ]" 1 1098 2 63 GLU QB 2 65 GLY H 1.800 . 6.000 4.099 3.955 4.262 . 0 0 "[ . 1 . 2 ]" 1 1099 1 64 ASP H 1 66 ASP H 1.800 . 6.000 4.878 4.835 4.941 . 0 0 "[ . 1 . 2 ]" 1 1100 2 64 ASP H 2 66 ASP H 1.800 . 6.000 4.878 4.834 4.942 . 0 0 "[ . 1 . 2 ]" 1 1101 1 64 ASP HA 1 66 ASP H 1.800 . 5.000 3.587 3.529 3.635 . 0 0 "[ . 1 . 2 ]" 1 1102 2 64 ASP HA 2 66 ASP H 1.800 . 5.000 3.593 3.537 3.637 . 0 0 "[ . 1 . 2 ]" 1 1103 1 64 ASP QB 1 66 ASP H 1.800 . 6.000 2.949 2.601 3.166 . 0 0 "[ . 1 . 2 ]" 1 1104 2 64 ASP QB 2 66 ASP H 1.800 . 6.000 2.951 2.604 3.166 . 0 0 "[ . 1 . 2 ]" 1 1105 1 64 ASP HA 1 67 GLY H 1.800 . 6.000 4.984 4.822 5.196 . 0 0 "[ . 1 . 2 ]" 1 1106 2 64 ASP HA 2 67 GLY H 1.800 . 6.000 5.001 4.837 5.209 . 0 0 "[ . 1 . 2 ]" 1 1107 1 65 GLY H 1 67 GLY H 1.800 . 5.000 4.270 3.973 4.437 . 0 0 "[ . 1 . 2 ]" 1 1108 2 65 GLY H 2 67 GLY H 1.800 . 5.000 4.270 3.972 4.437 . 0 0 "[ . 1 . 2 ]" 1 1109 1 66 ASP H 1 68 GLU H 1.800 . 5.000 4.221 4.134 4.287 . 0 0 "[ . 1 . 2 ]" 1 1110 2 66 ASP H 2 68 GLU H 1.800 . 5.000 4.222 4.135 4.287 . 0 0 "[ . 1 . 2 ]" 1 1111 1 70 ASP H 1 72 GLN H 1.800 . 5.000 4.872 4.668 5.005 0.005 4 0 "[ . 1 . 2 ]" 1 1112 2 70 ASP H 2 72 GLN H 1.800 . 5.000 4.872 4.668 5.005 0.005 4 0 "[ . 1 . 2 ]" 1 1113 1 70 ASP H 1 73 GLU H 1.800 . 4.600 3.705 3.579 3.786 . 0 0 "[ . 1 . 2 ]" 1 1114 2 70 ASP H 2 73 GLU H 1.800 . 4.600 3.705 3.579 3.786 . 0 0 "[ . 1 . 2 ]" 1 1115 1 70 ASP H 1 73 GLU HA 1.800 . 6.000 5.565 5.405 5.689 . 0 0 "[ . 1 . 2 ]" 1 1116 2 70 ASP H 2 73 GLU HA 1.800 . 6.000 5.565 5.406 5.689 . 0 0 "[ . 1 . 2 ]" 1 1117 1 70 ASP H 1 73 GLU QB 1.800 . 4.200 3.012 2.636 3.245 . 0 0 "[ . 1 . 2 ]" 1 1118 2 70 ASP H 2 73 GLU QB 1.800 . 4.200 3.011 2.635 3.244 . 0 0 "[ . 1 . 2 ]" 1 1119 1 70 ASP H 1 73 GLU QG 1.800 . 5.000 2.965 2.421 3.771 . 0 0 "[ . 1 . 2 ]" 1 1120 2 70 ASP H 2 73 GLU QG 1.800 . 5.000 2.964 2.420 3.770 . 0 0 "[ . 1 . 2 ]" 1 1121 1 71 PHE HA 1 74 PHE QB 1.800 . 5.000 2.357 2.258 2.654 . 0 0 "[ . 1 . 2 ]" 1 1122 2 71 PHE HA 2 74 PHE QB 1.800 . 5.000 2.357 2.258 2.654 . 0 0 "[ . 1 . 2 ]" 1 1123 1 71 PHE HA 1 74 PHE H 1.800 . 3.500 3.061 2.959 3.163 . 0 0 "[ . 1 . 2 ]" 1 1124 2 71 PHE HA 2 74 PHE H 1.800 . 3.500 3.061 2.960 3.164 . 0 0 "[ . 1 . 2 ]" 1 1125 1 70 ASP QB 1 72 GLN H 1.800 . 5.000 2.669 2.535 2.823 . 0 0 "[ . 1 . 2 ]" 1 1126 2 70 ASP QB 2 72 GLN H 1.800 . 5.000 2.669 2.534 2.822 . 0 0 "[ . 1 . 2 ]" 1 1127 1 72 GLN H 1 74 PHE H 1.800 . 5.000 3.944 3.818 4.033 . 0 0 "[ . 1 . 2 ]" 1 1128 2 72 GLN H 2 74 PHE H 1.800 . 5.000 3.944 3.818 4.033 . 0 0 "[ . 1 . 2 ]" 1 1129 1 72 GLN HA 1 75 MET QB 1.800 . 4.200 3.216 3.006 3.559 . 0 0 "[ . 1 . 2 ]" 1 1130 2 72 GLN HA 2 75 MET QB 1.800 . 4.200 3.216 3.006 3.558 . 0 0 "[ . 1 . 2 ]" 1 1131 1 69 CYS HA 1 73 GLU H 1.800 . 6.000 5.316 5.161 5.439 . 0 0 "[ . 1 . 2 ]" 1 1132 2 69 CYS HA 2 73 GLU H 1.800 . 6.000 5.315 5.161 5.439 . 0 0 "[ . 1 . 2 ]" 1 1133 1 69 CYS QB 1 73 GLU H 1.800 . 6.000 4.836 4.521 5.883 . 0 0 "[ . 1 . 2 ]" 1 1134 2 69 CYS QB 2 73 GLU H 1.800 . 6.000 4.836 4.521 5.883 . 0 0 "[ . 1 . 2 ]" 1 1135 1 70 ASP QB 1 73 GLU H 1.800 . 6.000 3.117 2.822 4.016 . 0 0 "[ . 1 . 2 ]" 1 1136 2 70 ASP QB 2 73 GLU H 1.800 . 6.000 3.117 2.822 4.016 . 0 0 "[ . 1 . 2 ]" 1 1137 1 71 PHE HA 1 73 GLU H 1.800 . 6.000 4.088 3.958 4.307 . 0 0 "[ . 1 . 2 ]" 1 1138 2 71 PHE HA 2 73 GLU H 1.800 . 6.000 4.089 3.958 4.308 . 0 0 "[ . 1 . 2 ]" 1 1139 1 73 GLU H 1 75 MET H 1.800 . 6.000 4.275 4.166 4.357 . 0 0 "[ . 1 . 2 ]" 1 1140 2 73 GLU H 2 75 MET H 1.800 . 6.000 4.275 4.166 4.357 . 0 0 "[ . 1 . 2 ]" 1 1141 1 72 GLN HA 1 74 PHE H 1.800 . 4.200 4.033 3.961 4.109 . 0 0 "[ . 1 . 2 ]" 1 1142 2 72 GLN HA 2 74 PHE H 1.800 . 4.200 4.033 3.961 4.109 . 0 0 "[ . 1 . 2 ]" 1 1143 1 74 PHE HA 1 77 PHE QB 1.800 . 5.000 2.899 2.672 3.121 . 0 0 "[ . 1 . 2 ]" 1 1144 2 74 PHE HA 2 77 PHE QB 1.800 . 5.000 2.899 2.673 3.120 . 0 0 "[ . 1 . 2 ]" 1 1145 1 71 PHE HA 1 75 MET H 1.800 . 5.000 4.267 4.112 4.565 . 0 0 "[ . 1 . 2 ]" 1 1146 2 71 PHE HA 2 75 MET H 1.800 . 5.000 4.267 4.112 4.566 . 0 0 "[ . 1 . 2 ]" 1 1147 1 72 GLN HA 1 75 MET H 1.800 . 3.500 3.445 3.301 3.521 0.021 19 0 "[ . 1 . 2 ]" 1 1148 2 72 GLN HA 2 75 MET H 1.800 . 3.500 3.445 3.301 3.521 0.021 19 0 "[ . 1 . 2 ]" 1 1149 1 73 GLU HA 1 75 MET H 1.800 . 5.000 4.430 4.338 4.525 . 0 0 "[ . 1 . 2 ]" 1 1150 2 73 GLU HA 2 75 MET H 1.800 . 5.000 4.430 4.336 4.522 . 0 0 "[ . 1 . 2 ]" 1 1151 1 75 MET H 1 77 PHE H 1.800 . 6.000 4.391 4.149 4.641 . 0 0 "[ . 1 . 2 ]" 1 1152 2 75 MET H 2 77 PHE H 1.800 . 6.000 4.390 4.150 4.639 . 0 0 "[ . 1 . 2 ]" 1 1153 1 75 MET HA 1 78 VAL HB 1.800 . 4.200 2.503 2.344 2.752 . 0 0 "[ . 1 . 2 ]" 1 1154 2 75 MET HA 2 78 VAL HB 1.800 . 4.200 2.504 2.345 2.753 . 0 0 "[ . 1 . 2 ]" 1 1155 1 75 MET ME 1 78 VAL MG1 1.800 . 3.300 2.642 2.131 3.327 0.027 15 0 "[ . 1 . 2 ]" 1 1156 2 75 MET ME 2 78 VAL MG1 1.800 . 3.300 2.642 2.131 3.327 0.027 15 0 "[ . 1 . 2 ]" 1 1157 1 75 MET ME 1 78 VAL MG2 1.800 . 5.000 3.413 2.715 4.332 . 0 0 "[ . 1 . 2 ]" 1 1158 2 75 MET ME 2 78 VAL MG2 1.800 . 5.000 3.413 2.715 4.331 . 0 0 "[ . 1 . 2 ]" 1 1159 1 72 GLN HA 1 76 ALA H 1.800 . 5.000 4.296 4.093 4.578 . 0 0 "[ . 1 . 2 ]" 1 1160 2 72 GLN HA 2 76 ALA H 1.800 . 5.000 4.296 4.094 4.579 . 0 0 "[ . 1 . 2 ]" 1 1161 1 73 GLU HA 1 76 ALA H 1.800 . 4.200 3.569 3.328 3.829 . 0 0 "[ . 1 . 2 ]" 1 1162 2 73 GLU HA 2 76 ALA H 1.800 . 4.200 3.568 3.328 3.829 . 0 0 "[ . 1 . 2 ]" 1 1163 1 73 GLU HA 1 76 ALA MB 1.800 . 2.900 2.761 2.550 2.917 0.017 17 0 "[ . 1 . 2 ]" 1 1164 2 73 GLU HA 2 76 ALA MB 1.800 . 2.900 2.761 2.550 2.916 0.016 17 0 "[ . 1 . 2 ]" 1 1165 1 74 PHE H 1 76 ALA H 1.800 . 6.000 4.166 3.816 4.428 . 0 0 "[ . 1 . 2 ]" 1 1166 2 74 PHE H 2 76 ALA H 1.800 . 6.000 4.166 3.815 4.428 . 0 0 "[ . 1 . 2 ]" 1 1167 1 76 ALA H 1 78 VAL H 1.800 . 6.000 4.071 3.810 4.304 . 0 0 "[ . 1 . 2 ]" 1 1168 2 76 ALA H 2 78 VAL H 1.800 . 6.000 4.071 3.811 4.305 . 0 0 "[ . 1 . 2 ]" 1 1169 1 76 ALA HA 1 79 SER QB 1.800 . 3.300 3.027 2.787 3.308 0.008 12 0 "[ . 1 . 2 ]" 1 1170 2 76 ALA HA 2 79 SER QB 1.800 . 3.300 3.027 2.786 3.308 0.008 12 0 "[ . 1 . 2 ]" 1 1171 1 73 GLU HA 1 77 PHE H 1.800 . 5.000 3.801 3.530 4.270 . 0 0 "[ . 1 . 2 ]" 1 1172 2 73 GLU HA 2 77 PHE H 1.800 . 5.000 3.801 3.530 4.269 . 0 0 "[ . 1 . 2 ]" 1 1173 1 74 PHE HA 1 77 PHE H 1.800 . 5.000 3.651 3.254 3.927 . 0 0 "[ . 1 . 2 ]" 1 1174 2 74 PHE HA 2 77 PHE H 1.800 . 5.000 3.652 3.255 3.928 . 0 0 "[ . 1 . 2 ]" 1 1175 1 77 PHE HA 1 80 MET QB 1.800 . 4.200 2.917 2.725 3.333 . 0 0 "[ . 1 . 2 ]" 1 1176 2 77 PHE HA 2 80 MET QB 1.800 . 4.200 2.916 2.724 3.333 . 0 0 "[ . 1 . 2 ]" 1 1177 1 73 GLU HA 1 77 PHE QB 1.800 . 6.000 4.847 4.497 5.687 . 0 0 "[ . 1 . 2 ]" 1 1178 2 73 GLU HA 2 77 PHE QB 1.800 . 6.000 4.847 4.496 5.686 . 0 0 "[ . 1 . 2 ]" 1 1179 1 74 PHE HA 1 78 VAL H 1.800 . 6.000 3.755 3.586 4.097 . 0 0 "[ . 1 . 2 ]" 1 1180 2 74 PHE HA 2 78 VAL H 1.800 . 6.000 3.755 3.586 4.096 . 0 0 "[ . 1 . 2 ]" 1 1181 1 74 PHE QD 1 78 VAL MG2 1.800 . 6.000 2.862 2.639 3.172 . 0 0 "[ . 1 . 2 ]" 1 1182 2 74 PHE QD 2 78 VAL MG2 1.800 . 6.000 2.862 2.639 3.172 . 0 0 "[ . 1 . 2 ]" 1 1183 1 74 PHE QE 1 78 VAL H 1.800 . 6.000 5.335 4.738 5.709 . 0 0 "[ . 1 . 2 ]" 1 1184 2 74 PHE QE 2 78 VAL H 1.800 . 6.000 5.335 4.737 5.709 . 0 0 "[ . 1 . 2 ]" 1 1185 1 74 PHE QE 1 78 VAL MG2 1.800 . 6.000 2.525 2.158 2.826 . 0 0 "[ . 1 . 2 ]" 1 1186 2 74 PHE QE 2 78 VAL MG2 1.800 . 6.000 2.525 2.157 2.826 . 0 0 "[ . 1 . 2 ]" 1 1187 1 74 PHE HZ 1 78 VAL MG2 1.800 . 6.000 2.834 2.650 3.101 . 0 0 "[ . 1 . 2 ]" 1 1188 2 74 PHE HZ 2 78 VAL MG2 1.800 . 6.000 2.834 2.650 3.100 . 0 0 "[ . 1 . 2 ]" 1 1189 1 75 MET HA 1 78 VAL H 1.800 . 4.200 3.552 3.194 3.891 . 0 0 "[ . 1 . 2 ]" 1 1190 2 75 MET HA 2 78 VAL H 1.800 . 4.200 3.553 3.196 3.893 . 0 0 "[ . 1 . 2 ]" 1 1191 1 75 MET HA 1 78 VAL MG1 1.800 . 6.000 3.766 3.548 3.914 . 0 0 "[ . 1 . 2 ]" 1 1192 2 75 MET HA 2 78 VAL MG1 1.800 . 6.000 3.766 3.548 3.914 . 0 0 "[ . 1 . 2 ]" 1 1193 1 75 MET HA 1 78 VAL MG2 1.800 . 5.000 3.202 2.803 3.467 . 0 0 "[ . 1 . 2 ]" 1 1194 2 75 MET HA 2 78 VAL MG2 1.800 . 5.000 3.202 2.803 3.467 . 0 0 "[ . 1 . 2 ]" 1 1195 1 78 VAL HA 1 81 VAL HB 1.800 . 4.200 3.219 3.025 3.411 . 0 0 "[ . 1 . 2 ]" 1 1196 2 78 VAL HA 2 81 VAL HB 1.800 . 4.200 3.220 3.026 3.411 . 0 0 "[ . 1 . 2 ]" 1 1197 1 75 MET HA 1 79 SER H 1.800 . 5.000 4.196 3.897 4.453 . 0 0 "[ . 1 . 2 ]" 1 1198 2 75 MET HA 2 79 SER H 1.800 . 5.000 4.197 3.897 4.454 . 0 0 "[ . 1 . 2 ]" 1 1199 1 75 MET ME 1 79 SER H 1.800 . 5.000 4.202 3.376 4.984 . 0 0 "[ . 1 . 2 ]" 1 1200 1 75 MET ME 2 79 SER H 1.800 . 5.000 4.201 3.376 4.977 . 0 0 "[ . 1 . 2 ]" 1 1201 1 76 ALA HA 1 79 SER H 1.800 . 4.200 3.433 3.273 3.659 . 0 0 "[ . 1 . 2 ]" 1 1202 2 76 ALA HA 2 79 SER H 1.800 . 4.200 3.433 3.274 3.659 . 0 0 "[ . 1 . 2 ]" 1 1203 1 77 PHE H 1 79 SER H 1.800 . 5.000 4.135 4.012 4.220 . 0 0 "[ . 1 . 2 ]" 1 1204 2 77 PHE H 2 79 SER H 1.800 . 5.000 4.135 4.013 4.219 . 0 0 "[ . 1 . 2 ]" 1 1205 1 76 ALA HA 1 80 MET H 1.800 . 5.000 4.225 3.943 4.408 . 0 0 "[ . 1 . 2 ]" 1 1206 2 76 ALA HA 2 80 MET H 1.800 . 5.000 4.224 3.942 4.407 . 0 0 "[ . 1 . 2 ]" 1 1207 1 77 PHE HA 1 80 MET H 1.800 . 5.000 3.477 3.356 3.624 . 0 0 "[ . 1 . 2 ]" 1 1208 2 77 PHE HA 2 80 MET H 1.800 . 5.000 3.476 3.355 3.623 . 0 0 "[ . 1 . 2 ]" 1 1209 1 77 PHE HA 1 80 MET ME 1.800 . 5.000 4.160 2.463 5.034 0.034 7 0 "[ . 1 . 2 ]" 1 1210 2 77 PHE HA 2 80 MET ME 1.800 . 5.000 4.160 2.463 5.034 0.034 7 0 "[ . 1 . 2 ]" 1 1211 1 78 VAL H 1 80 MET H 1.800 . 5.000 4.448 4.357 4.523 . 0 0 "[ . 1 . 2 ]" 1 1212 2 78 VAL H 2 80 MET H 1.800 . 5.000 4.448 4.357 4.523 . 0 0 "[ . 1 . 2 ]" 1 1213 1 78 VAL HA 1 80 MET H 1.800 . 5.000 4.819 4.587 5.013 0.013 19 0 "[ . 1 . 2 ]" 1 1214 2 78 VAL HA 2 80 MET H 1.800 . 5.000 4.820 4.587 5.014 0.014 19 0 "[ . 1 . 2 ]" 1 1215 1 80 MET HA 1 83 THR HB 1.800 . 6.000 3.965 2.367 4.446 . 0 0 "[ . 1 . 2 ]" 1 1216 2 80 MET HA 2 83 THR HB 1.800 . 6.000 3.964 2.367 4.446 . 0 0 "[ . 1 . 2 ]" 1 1217 1 77 PHE HA 1 81 VAL H 1.800 . 5.000 4.288 3.847 4.491 . 0 0 "[ . 1 . 2 ]" 1 1218 2 77 PHE HA 2 81 VAL H 1.800 . 5.000 4.287 3.847 4.490 . 0 0 "[ . 1 . 2 ]" 1 1219 1 78 VAL HA 1 81 VAL H 1.800 . 5.000 3.789 3.603 4.013 . 0 0 "[ . 1 . 2 ]" 1 1220 2 78 VAL HA 2 81 VAL H 1.800 . 5.000 3.789 3.603 4.014 . 0 0 "[ . 1 . 2 ]" 1 1221 1 79 SER H 1 81 VAL H 1.800 . 5.000 4.208 4.086 4.502 . 0 0 "[ . 1 . 2 ]" 1 1222 2 79 SER H 2 81 VAL H 1.800 . 5.000 4.208 4.086 4.501 . 0 0 "[ . 1 . 2 ]" 1 1223 1 79 SER HA 1 81 VAL H 1.800 . 6.000 4.408 4.197 4.794 . 0 0 "[ . 1 . 2 ]" 1 1224 2 79 SER HA 2 81 VAL H 1.800 . 6.000 4.408 4.198 4.793 . 0 0 "[ . 1 . 2 ]" 1 1225 1 81 VAL HA 1 84 ALA MB 1.800 . 3.300 2.476 2.234 3.245 . 0 0 "[ . 1 . 2 ]" 1 1226 2 81 VAL HA 2 84 ALA MB 1.800 . 3.300 2.476 2.234 3.245 . 0 0 "[ . 1 . 2 ]" 1 1227 1 81 VAL MG2 1 84 ALA MB 1.800 . 6.000 3.983 3.702 4.549 . 0 0 "[ . 1 . 2 ]" 1 1228 2 81 VAL MG2 2 84 ALA MB 1.800 . 6.000 3.983 3.702 4.549 . 0 0 "[ . 1 . 2 ]" 1 1229 1 78 VAL HA 1 82 THR H 1.800 . 5.000 4.183 3.941 4.412 . 0 0 "[ . 1 . 2 ]" 1 1230 2 78 VAL HA 2 82 THR H 1.800 . 5.000 4.183 3.941 4.413 . 0 0 "[ . 1 . 2 ]" 1 1231 1 79 SER HA 1 82 THR H 1.800 . 4.200 3.499 3.333 3.704 . 0 0 "[ . 1 . 2 ]" 1 1232 2 79 SER HA 2 82 THR H 1.800 . 4.200 3.498 3.333 3.704 . 0 0 "[ . 1 . 2 ]" 1 1233 1 79 SER HA 1 83 THR H 1.800 . 5.000 3.565 3.186 3.903 . 0 0 "[ . 1 . 2 ]" 1 1234 2 79 SER HA 2 83 THR H 1.800 . 5.000 3.565 3.187 3.902 . 0 0 "[ . 1 . 2 ]" 1 1235 1 80 MET HA 1 83 THR H 1.800 . 5.000 3.691 3.397 3.901 . 0 0 "[ . 1 . 2 ]" 1 1236 2 80 MET HA 2 83 THR H 1.800 . 5.000 3.691 3.397 3.902 . 0 0 "[ . 1 . 2 ]" 1 1237 1 81 VAL H 1 83 THR H 1.800 . 5.000 4.040 3.733 4.431 . 0 0 "[ . 1 . 2 ]" 1 1238 2 81 VAL H 2 83 THR H 1.800 . 5.000 4.040 3.733 4.431 . 0 0 "[ . 1 . 2 ]" 1 1239 1 81 VAL HA 1 83 THR H 1.800 . 6.000 4.559 4.365 4.770 . 0 0 "[ . 1 . 2 ]" 1 1240 2 81 VAL HA 2 83 THR H 1.800 . 6.000 4.559 4.365 4.772 . 0 0 "[ . 1 . 2 ]" 1 1241 1 80 MET HA 1 84 ALA H 1.800 . 5.000 3.993 3.774 4.367 . 0 0 "[ . 1 . 2 ]" 1 1242 2 80 MET HA 2 84 ALA H 1.800 . 5.000 3.992 3.775 4.368 . 0 0 "[ . 1 . 2 ]" 1 1243 1 81 VAL HA 1 84 ALA H 1.800 . 4.200 3.397 3.159 3.860 . 0 0 "[ . 1 . 2 ]" 1 1244 2 81 VAL HA 2 84 ALA H 1.800 . 4.200 3.397 3.160 3.861 . 0 0 "[ . 1 . 2 ]" 1 1245 1 82 THR H 1 84 ALA H 1.800 . 5.000 3.855 3.626 4.441 . 0 0 "[ . 1 . 2 ]" 1 1246 2 82 THR H 2 84 ALA H 1.800 . 5.000 3.855 3.627 4.440 . 0 0 "[ . 1 . 2 ]" 1 1247 1 82 THR HA 1 84 ALA H 1.800 . 6.000 4.076 3.859 4.680 . 0 0 "[ . 1 . 2 ]" 1 1248 2 82 THR HA 2 84 ALA H 1.800 . 6.000 4.076 3.861 4.680 . 0 0 "[ . 1 . 2 ]" 1 1249 1 82 THR HA 1 85 CYS H 1.800 . 5.000 3.950 3.415 4.228 . 0 0 "[ . 1 . 2 ]" 1 1250 2 82 THR HA 2 85 CYS H 1.800 . 5.000 3.951 3.414 4.229 . 0 0 "[ . 1 . 2 ]" 1 1251 1 81 VAL HA 1 85 CYS H 1.800 . 5.000 5.035 4.802 5.088 0.088 3 0 "[ . 1 . 2 ]" 1 1252 2 81 VAL HA 2 85 CYS H 1.800 . 5.000 5.035 4.802 5.088 0.088 3 0 "[ . 1 . 2 ]" 1 1253 1 83 THR H 1 85 CYS H 1.800 . 5.000 4.344 3.949 4.603 . 0 0 "[ . 1 . 2 ]" 1 1254 2 83 THR H 2 85 CYS H 1.800 . 5.000 4.344 3.948 4.602 . 0 0 "[ . 1 . 2 ]" 1 1255 1 88 PHE QD 1 90 GLU H 1.800 . 6.000 5.092 3.663 5.789 . 0 0 "[ . 1 . 2 ]" 1 1256 2 88 PHE QD 2 90 GLU H 1.800 . 6.000 5.092 3.663 5.790 . 0 0 "[ . 1 . 2 ]" 1 1257 1 89 PHE QD 1 91 HIS H 1.800 . 6.000 5.957 5.567 6.038 0.038 11 0 "[ . 1 . 2 ]" 1 1258 2 89 PHE QD 2 91 HIS H 1.800 . 6.000 5.957 5.567 6.037 0.037 11 0 "[ . 1 . 2 ]" 1 1259 1 8 MET ME 1 71 PHE QE 1.800 . 5.000 4.866 4.335 5.057 0.057 8 0 "[ . 1 . 2 ]" 1 1260 2 8 MET ME 2 71 PHE QE 1.800 . 5.000 4.866 4.335 5.058 0.058 8 0 "[ . 1 . 2 ]" 1 1261 1 11 LEU QD 1 74 PHE QE 1.800 . 6.000 3.708 2.699 5.001 . 0 0 "[ . 1 . 2 ]" 1 1262 2 11 LEU QD 2 74 PHE QE 1.800 . 6.000 3.708 2.699 5.001 . 0 0 "[ . 1 . 2 ]" 1 1263 1 11 LEU QD 1 74 PHE HZ 1.800 . 6.000 4.482 2.916 5.835 . 0 0 "[ . 1 . 2 ]" 1 1264 2 11 LEU QD 2 74 PHE HZ 1.800 . 6.000 4.482 2.916 5.835 . 0 0 "[ . 1 . 2 ]" 1 1265 1 11 LEU QD 1 78 VAL MG1 1.800 . 4.200 4.123 3.869 4.277 0.077 8 0 "[ . 1 . 2 ]" 1 1266 2 11 LEU QD 2 78 VAL MG1 1.800 . 4.200 4.123 3.869 4.277 0.077 8 0 "[ . 1 . 2 ]" 1 1267 1 11 LEU QD 1 78 VAL MG2 1.800 . 5.000 4.775 4.471 5.013 0.013 1 0 "[ . 1 . 2 ]" 1 1268 2 11 LEU QD 2 78 VAL MG2 1.800 . 5.000 4.775 4.471 5.013 0.013 1 0 "[ . 1 . 2 ]" 1 1269 1 14 VAL QG 1 36 LEU QD 1.800 . 3.300 3.267 3.037 3.351 0.051 4 0 "[ . 1 . 2 ]" 1 1270 2 14 VAL QG 2 36 LEU QD 1.800 . 3.300 3.266 3.037 3.352 0.052 4 0 "[ . 1 . 2 ]" 1 1271 1 14 VAL MG1 1 74 PHE HZ 1.800 . 6.000 5.554 5.188 5.906 . 0 0 "[ . 1 . 2 ]" 1 1272 2 14 VAL MG1 2 74 PHE HZ 1.800 . 6.000 5.554 5.187 5.907 . 0 0 "[ . 1 . 2 ]" 1 1273 1 15 PHE QD 1 36 LEU QD 1.800 . 5.000 3.758 3.231 4.874 . 0 0 "[ . 1 . 2 ]" 1 1274 2 15 PHE QD 2 36 LEU QD 1.800 . 5.000 3.758 3.230 4.874 . 0 0 "[ . 1 . 2 ]" 1 1275 1 15 PHE H 1 36 LEU QD 1.800 . 6.000 5.381 5.083 5.740 . 0 0 "[ . 1 . 2 ]" 1 1276 2 15 PHE H 2 36 LEU QD 1.800 . 6.000 5.381 5.083 5.740 . 0 0 "[ . 1 . 2 ]" 1 1277 1 15 PHE HA 1 36 LEU QD 1.800 . 5.000 3.674 3.337 4.071 . 0 0 "[ . 1 . 2 ]" 1 1278 2 15 PHE HA 2 36 LEU QD 1.800 . 5.000 3.674 3.336 4.071 . 0 0 "[ . 1 . 2 ]" 1 1279 1 15 PHE QD 1 71 PHE QB 1.800 . 6.000 5.054 4.801 5.467 . 0 0 "[ . 1 . 2 ]" 1 1280 2 15 PHE QD 2 71 PHE QB 1.800 . 6.000 5.054 4.801 5.467 . 0 0 "[ . 1 . 2 ]" 1 1281 1 15 PHE QD 1 71 PHE QD 1.800 . 5.000 3.455 3.226 3.898 . 0 0 "[ . 1 . 2 ]" 1 1282 2 15 PHE QD 2 71 PHE QD 1.800 . 5.000 3.455 3.227 3.898 . 0 0 "[ . 1 . 2 ]" 1 1283 1 18 TYR H 1 36 LEU QD 1.800 . 5.000 4.488 4.214 4.787 . 0 0 "[ . 1 . 2 ]" 1 1284 2 18 TYR H 2 36 LEU QD 1.800 . 5.000 4.488 4.214 4.787 . 0 0 "[ . 1 . 2 ]" 1 1285 1 18 TYR QB 1 28 LEU QD 1.800 . 4.200 3.865 3.667 4.002 . 0 0 "[ . 1 . 2 ]" 1 1286 2 18 TYR QB 2 28 LEU QD 1.800 . 4.200 3.865 3.667 4.002 . 0 0 "[ . 1 . 2 ]" 1 1287 1 18 TYR QB 1 36 LEU QD 1.800 . 5.000 2.988 2.664 3.425 . 0 0 "[ . 1 . 2 ]" 1 1288 2 18 TYR QB 2 36 LEU QD 1.800 . 5.000 2.988 2.664 3.424 . 0 0 "[ . 1 . 2 ]" 1 1289 1 19 SER H 1 28 LEU QD 1.800 . 5.000 4.937 4.714 5.029 0.029 4 0 "[ . 1 . 2 ]" 1 1290 2 19 SER H 2 28 LEU QD 1.800 . 5.000 4.937 4.714 5.028 0.028 4 0 "[ . 1 . 2 ]" 1 1291 1 15 PHE HZ 1 27 LYS H 1.800 . 6.000 5.982 5.881 6.034 0.034 6 0 "[ . 1 . 2 ]" 1 1292 2 15 PHE HZ 2 27 LYS H 1.800 . 6.000 5.982 5.881 6.035 0.035 6 0 "[ . 1 . 2 ]" 1 1293 1 15 PHE QE 1 27 LYS H 1.800 . 6.000 5.994 5.854 6.050 0.050 15 0 "[ . 1 . 2 ]" 1 1294 2 15 PHE QE 2 27 LYS H 1.800 . 6.000 5.995 5.855 6.051 0.051 15 0 "[ . 1 . 2 ]" 1 1295 1 19 SER QB 1 27 LYS H 1.800 . 6.000 5.923 5.726 6.042 0.042 12 0 "[ . 1 . 2 ]" 1 1296 2 19 SER QB 2 27 LYS H 1.800 . 6.000 5.923 5.726 6.042 0.042 12 0 "[ . 1 . 2 ]" 1 1297 1 27 LYS HA 1 70 ASP HA 1.800 . 3.000 2.651 2.352 2.980 . 0 0 "[ . 1 . 2 ]" 1 1298 2 27 LYS HA 2 70 ASP HA 1.800 . 3.000 2.651 2.351 2.979 . 0 0 "[ . 1 . 2 ]" 1 1299 1 15 PHE HZ 1 28 LEU H 1.800 . 5.000 4.935 4.702 5.074 0.074 20 0 "[ . 1 . 2 ]" 1 1300 2 15 PHE HZ 2 28 LEU H 1.800 . 5.000 4.934 4.702 5.074 0.074 20 0 "[ . 1 . 2 ]" 1 1301 1 18 TYR QD 1 28 LEU QD 1.800 . 5.000 4.873 4.706 5.044 0.044 9 0 "[ . 1 . 2 ]" 1 1302 2 18 TYR QD 2 28 LEU QD 1.800 . 5.000 4.873 4.707 5.044 0.044 9 0 "[ . 1 . 2 ]" 1 1303 1 19 SER HA 1 28 LEU QD 1.800 . 5.000 4.942 4.747 5.068 0.068 19 0 "[ . 1 . 2 ]" 1 1304 2 19 SER HA 2 28 LEU QD 1.800 . 5.000 4.942 4.747 5.068 0.068 19 0 "[ . 1 . 2 ]" 1 1305 1 28 LEU H 1 68 GLU HA 1.800 . 6.000 5.015 4.891 5.132 . 0 0 "[ . 1 . 2 ]" 1 1306 2 28 LEU H 2 68 GLU HA 1.800 . 6.000 5.015 4.890 5.132 . 0 0 "[ . 1 . 2 ]" 1 1307 1 28 LEU H 1 69 CYS H 1.800 . 3.500 3.504 3.422 3.528 0.028 4 0 "[ . 1 . 2 ]" 1 1308 2 28 LEU H 2 69 CYS H 1.800 . 3.500 3.504 3.423 3.528 0.028 4 0 "[ . 1 . 2 ]" 1 1309 1 28 LEU HA 1 69 CYS H 1.800 . 5.000 4.784 4.669 4.916 . 0 0 "[ . 1 . 2 ]" 1 1310 2 28 LEU HA 2 69 CYS H 1.800 . 5.000 4.784 4.670 4.915 . 0 0 "[ . 1 . 2 ]" 1 1311 1 28 LEU H 1 69 CYS HA 1.800 . 5.000 4.792 4.683 4.930 . 0 0 "[ . 1 . 2 ]" 1 1312 2 28 LEU H 2 69 CYS HA 1.800 . 5.000 4.792 4.682 4.930 . 0 0 "[ . 1 . 2 ]" 1 1313 1 28 LEU QD 1 69 CYS QB 1.800 . 6.000 3.866 3.560 4.336 . 0 0 "[ . 1 . 2 ]" 1 1314 2 28 LEU QD 2 69 CYS QB 1.800 . 6.000 3.866 3.560 4.336 . 0 0 "[ . 1 . 2 ]" 1 1315 1 28 LEU H 1 70 ASP HA 1.800 . 3.000 2.953 2.736 3.052 0.052 19 0 "[ . 1 . 2 ]" 1 1316 2 28 LEU H 2 70 ASP HA 1.800 . 3.000 2.953 2.735 3.052 0.052 19 0 "[ . 1 . 2 ]" 1 1317 1 29 LYS HA 1 68 GLU HA 1.800 . 3.200 2.917 2.779 3.011 . 0 0 "[ . 1 . 2 ]" 1 1318 2 29 LYS HA 2 68 GLU HA 1.800 . 3.200 2.917 2.779 3.011 . 0 0 "[ . 1 . 2 ]" 1 1319 1 30 LYS H 1 61 LEU QD 1.800 . 6.000 5.181 4.068 5.934 . 0 0 "[ . 1 . 2 ]" 1 1320 2 30 LYS H 2 61 LEU QD 1.800 . 6.000 5.181 4.068 5.934 . 0 0 "[ . 1 . 2 ]" 1 1321 1 30 LYS HA 1 61 LEU QD 1.800 . 6.000 3.203 2.244 3.858 . 0 0 "[ . 1 . 2 ]" 1 1322 2 30 LYS HA 2 61 LEU QD 1.800 . 6.000 3.203 2.243 3.859 . 0 0 "[ . 1 . 2 ]" 1 1323 1 30 LYS H 1 68 GLU H 1.800 . 6.000 5.994 5.938 6.027 0.027 2 0 "[ . 1 . 2 ]" 1 1324 2 30 LYS H 2 68 GLU H 1.800 . 6.000 5.994 5.939 6.026 0.026 2 0 "[ . 1 . 2 ]" 1 1325 1 30 LYS H 1 68 GLU HA 1.800 . 5.000 4.388 4.179 4.593 . 0 0 "[ . 1 . 2 ]" 1 1326 2 30 LYS H 2 68 GLU HA 1.800 . 5.000 4.388 4.180 4.593 . 0 0 "[ . 1 . 2 ]" 1 1327 1 31 SER H 1 61 LEU QD 1.800 . 6.000 5.565 4.532 6.039 0.039 2 0 "[ . 1 . 2 ]" 1 1328 2 31 SER H 2 61 LEU QD 1.800 . 6.000 5.565 4.531 6.039 0.039 2 0 "[ . 1 . 2 ]" 1 1329 1 33 LEU QD 1 61 LEU HG 1.800 . 6.000 4.035 2.432 5.083 . 0 0 "[ . 1 . 2 ]" 1 1330 2 33 LEU QD 2 61 LEU HG 1.800 . 6.000 4.035 2.433 5.083 . 0 0 "[ . 1 . 2 ]" 1 1331 1 33 LEU H 1 61 LEU QD 1.800 . 6.000 4.918 4.125 5.492 . 0 0 "[ . 1 . 2 ]" 1 1332 2 33 LEU H 2 61 LEU QD 1.800 . 6.000 4.918 4.126 5.492 . 0 0 "[ . 1 . 2 ]" 1 1333 1 33 LEU QD 1 61 LEU QD 1.800 . 3.300 2.133 1.900 2.534 . 0 0 "[ . 1 . 2 ]" 1 1334 2 33 LEU QD 2 61 LEU QD 1.800 . 3.300 2.133 1.900 2.534 . 0 0 "[ . 1 . 2 ]" 1 1335 1 33 LEU QD 1 74 PHE HA 1.800 . 5.000 2.678 2.253 3.034 . 0 0 "[ . 1 . 2 ]" 1 1336 2 33 LEU QD 2 74 PHE HA 1.800 . 5.000 2.678 2.253 3.034 . 0 0 "[ . 1 . 2 ]" 1 1337 1 33 LEU QD 1 74 PHE QD 1.800 . 6.000 2.073 1.984 2.127 . 0 0 "[ . 1 . 2 ]" 1 1338 2 33 LEU QD 2 74 PHE QD 1.800 . 6.000 2.073 1.984 2.127 . 0 0 "[ . 1 . 2 ]" 1 1339 1 33 LEU QD 1 77 PHE QB 1.800 . 6.000 3.085 2.733 3.435 . 0 0 "[ . 1 . 2 ]" 1 1340 2 33 LEU QD 2 77 PHE QB 1.800 . 6.000 3.085 2.733 3.434 . 0 0 "[ . 1 . 2 ]" 1 1341 1 33 LEU QD 1 77 PHE QD 1.800 . 5.000 3.491 2.662 3.950 . 0 0 "[ . 1 . 2 ]" 1 1342 2 33 LEU QD 2 77 PHE QD 1.800 . 5.000 3.491 2.661 3.950 . 0 0 "[ . 1 . 2 ]" 1 1343 1 34 LYS H 1 61 LEU QD 1.800 . 4.200 3.678 2.749 4.177 . 0 0 "[ . 1 . 2 ]" 1 1344 2 34 LYS H 2 61 LEU QD 1.800 . 4.200 3.677 2.750 4.177 . 0 0 "[ . 1 . 2 ]" 1 1345 1 34 LYS HA 1 61 LEU QD 1.800 . 5.000 3.233 2.751 4.031 . 0 0 "[ . 1 . 2 ]" 1 1346 2 34 LYS HA 2 61 LEU QD 1.800 . 5.000 3.232 2.752 4.030 . 0 0 "[ . 1 . 2 ]" 1 1347 1 35 GLU H 1 61 LEU QD 1.800 . 6.000 5.645 4.829 6.062 0.062 1 0 "[ . 1 . 2 ]" 1 1348 2 35 GLU H 2 61 LEU QD 1.800 . 6.000 5.645 4.829 6.062 0.062 1 0 "[ . 1 . 2 ]" 1 1349 1 18 TYR QD 1 36 LEU H 1.800 . 6.000 5.918 5.670 6.018 0.018 9 0 "[ . 1 . 2 ]" 1 1350 2 18 TYR QD 2 36 LEU H 1.800 . 6.000 5.918 5.670 6.018 0.018 9 0 "[ . 1 . 2 ]" 1 1351 1 18 TYR QD 1 36 LEU QD 1.800 . 4.200 2.842 2.321 3.301 . 0 0 "[ . 1 . 2 ]" 1 1352 2 18 TYR QD 2 36 LEU QD 1.800 . 4.200 2.842 2.322 3.302 . 0 0 "[ . 1 . 2 ]" 1 1353 1 18 TYR QE 1 36 LEU H 1.800 . 6.000 5.683 5.386 5.941 . 0 0 "[ . 1 . 2 ]" 1 1354 2 18 TYR QE 2 36 LEU H 1.800 . 6.000 5.684 5.387 5.942 . 0 0 "[ . 1 . 2 ]" 1 1355 1 18 TYR QE 1 36 LEU QD 1.800 . 6.000 2.802 2.364 3.613 . 0 0 "[ . 1 . 2 ]" 1 1356 2 18 TYR QE 2 36 LEU QD 1.800 . 6.000 2.801 2.364 3.614 . 0 0 "[ . 1 . 2 ]" 1 1357 1 28 LEU QD 1 36 LEU QD 1.800 . 5.000 2.711 2.172 3.301 . 0 0 "[ . 1 . 2 ]" 1 1358 2 28 LEU QD 2 36 LEU QD 1.800 . 5.000 2.711 2.171 3.301 . 0 0 "[ . 1 . 2 ]" 1 1359 1 36 LEU QD 1 74 PHE QE 1.800 . 5.000 2.977 2.184 4.080 . 0 0 "[ . 1 . 2 ]" 1 1360 2 36 LEU QD 2 74 PHE QE 1.800 . 5.000 2.978 2.185 4.079 . 0 0 "[ . 1 . 2 ]" 1 1361 1 36 LEU QD 1 74 PHE HZ 1.800 . 6.000 3.587 2.767 4.729 . 0 0 "[ . 1 . 2 ]" 1 1362 2 36 LEU QD 2 74 PHE HZ 1.800 . 6.000 3.587 2.766 4.729 . 0 0 "[ . 1 . 2 ]" 1 1363 1 37 ILE MD 1 57 VAL MG1 1.800 . 3.300 3.111 2.893 3.268 . 0 0 "[ . 1 . 2 ]" 1 1364 2 37 ILE MD 2 57 VAL MG1 1.800 . 3.300 3.111 2.893 3.268 . 0 0 "[ . 1 . 2 ]" 1 1365 1 37 ILE MD 1 77 PHE QB 1.800 . 5.000 3.759 3.234 4.201 . 0 0 "[ . 1 . 2 ]" 1 1366 2 37 ILE MD 2 77 PHE QB 1.800 . 5.000 3.759 3.234 4.202 . 0 0 "[ . 1 . 2 ]" 1 1367 1 37 ILE MD 1 78 VAL HA 1.800 . 5.000 4.891 4.217 5.026 0.026 14 0 "[ . 1 . 2 ]" 1 1368 2 37 ILE MD 2 78 VAL HA 1.800 . 5.000 4.891 4.217 5.026 0.026 14 0 "[ . 1 . 2 ]" 1 1369 1 37 ILE MG 1 81 VAL MG1 1.800 . 3.300 3.262 3.044 3.360 0.060 3 0 "[ . 1 . 2 ]" 1 1370 2 37 ILE MG 2 81 VAL MG1 1.800 . 3.300 3.262 3.044 3.360 0.060 3 0 "[ . 1 . 2 ]" 1 1371 1 41 LEU QD 1 78 VAL HA 1.800 . 5.000 3.035 2.715 3.517 . 0 0 "[ . 1 . 2 ]" 1 1372 2 41 LEU QD 2 78 VAL HA 1.800 . 5.000 3.035 2.714 3.517 . 0 0 "[ . 1 . 2 ]" 1 1373 1 41 LEU QD 1 78 VAL HB 1.800 . 5.000 4.723 4.306 4.969 . 0 0 "[ . 1 . 2 ]" 1 1374 2 41 LEU QD 2 78 VAL HB 1.800 . 5.000 4.723 4.306 4.969 . 0 0 "[ . 1 . 2 ]" 1 1375 1 41 LEU QD 1 78 VAL MG1 1.800 . 3.300 2.595 2.195 2.814 . 0 0 "[ . 1 . 2 ]" 1 1376 2 41 LEU QD 2 78 VAL MG1 1.800 . 3.300 2.595 2.195 2.814 . 0 0 "[ . 1 . 2 ]" 1 1377 1 41 LEU QD 1 78 VAL MG2 1.800 . 5.000 2.900 2.560 3.266 . 0 0 "[ . 1 . 2 ]" 1 1378 2 41 LEU QD 2 78 VAL MG2 1.800 . 5.000 2.900 2.560 3.266 . 0 0 "[ . 1 . 2 ]" 1 1379 1 41 LEU QD 1 81 VAL MG1 1.800 . 3.300 2.116 1.958 2.299 . 0 0 "[ . 1 . 2 ]" 1 1380 2 41 LEU QD 2 81 VAL MG1 1.800 . 3.300 2.116 1.958 2.298 . 0 0 "[ . 1 . 2 ]" 1 1381 1 41 LEU QD 1 81 VAL HB 1.800 . 5.000 2.689 2.440 3.169 . 0 0 "[ . 1 . 2 ]" 1 1382 2 41 LEU QD 2 81 VAL HB 1.800 . 5.000 2.689 2.440 3.170 . 0 0 "[ . 1 . 2 ]" 1 1383 1 45 LEU QD 1 54 VAL MG1 1.800 . 4.200 3.270 2.718 4.217 0.017 10 0 "[ . 1 . 2 ]" 1 1384 2 45 LEU QD 2 54 VAL MG1 1.800 . 4.200 3.270 2.717 4.217 0.017 10 0 "[ . 1 . 2 ]" 1 1385 1 45 LEU QD 1 58 MET ME 1.800 . 5.000 3.846 3.039 4.555 . 0 0 "[ . 1 . 2 ]" 1 1386 2 45 LEU QD 2 58 MET ME 1.800 . 5.000 3.846 3.040 4.555 . 0 0 "[ . 1 . 2 ]" 1 1387 1 45 LEU QD 1 81 VAL MG1 1.800 . 5.000 4.015 3.046 5.011 0.011 15 0 "[ . 1 . 2 ]" 1 1388 2 45 LEU QD 2 81 VAL MG1 1.800 . 5.000 4.015 3.045 5.011 0.011 15 0 "[ . 1 . 2 ]" 1 1389 1 48 ILE MG 1 54 VAL HB 1.800 . 5.000 3.307 2.812 3.973 . 0 0 "[ . 1 . 2 ]" 1 1390 2 48 ILE MG 2 54 VAL HB 1.800 . 5.000 3.307 2.813 3.975 . 0 0 "[ . 1 . 2 ]" 1 1391 1 48 ILE MD 1 54 VAL HB 1.800 . 5.000 4.473 3.475 5.041 0.041 7 0 "[ . 1 . 2 ]" 1 1392 2 48 ILE MD 2 54 VAL HB 1.800 . 5.000 4.473 3.476 5.042 0.042 7 0 "[ . 1 . 2 ]" 1 1393 1 48 ILE MG 1 54 VAL MG1 1.800 . 4.200 3.592 3.224 4.097 . 0 0 "[ . 1 . 2 ]" 1 1394 2 48 ILE MG 2 54 VAL MG1 1.800 . 4.200 3.592 3.225 4.097 . 0 0 "[ . 1 . 2 ]" 1 1395 1 48 ILE MG 1 54 VAL MG2 1.800 . 2.900 2.103 1.932 2.336 . 0 0 "[ . 1 . 2 ]" 1 1396 2 48 ILE MG 2 54 VAL MG2 1.800 . 2.900 2.103 1.932 2.336 . 0 0 "[ . 1 . 2 ]" 1 1397 1 48 ILE MD 1 54 VAL MG2 1.800 . 4.200 2.441 2.081 2.805 . 0 0 "[ . 1 . 2 ]" 1 1398 2 48 ILE MD 2 54 VAL MG2 1.800 . 4.200 2.441 2.082 2.806 . 0 0 "[ . 1 . 2 ]" 1 1399 1 48 ILE MG 1 84 ALA MB 1.800 . 3.300 3.274 3.026 3.355 0.055 7 0 "[ . 1 . 2 ]" 1 1400 2 48 ILE MG 2 84 ALA MB 1.800 . 3.300 3.274 3.026 3.355 0.055 7 0 "[ . 1 . 2 ]" 1 1401 1 50 GLU H 1 84 ALA MB 1.800 . 5.000 4.370 3.730 4.987 . 0 0 "[ . 1 . 2 ]" 1 1402 2 50 GLU H 2 84 ALA MB 1.800 . 5.000 4.369 3.730 4.987 . 0 0 "[ . 1 . 2 ]" 1 1403 1 53 VAL MG2 1 81 VAL HA 1.800 . 6.000 5.912 4.773 6.091 0.091 4 0 "[ . 1 . 2 ]" 1 1404 2 53 VAL MG2 2 81 VAL HA 1.800 . 6.000 5.912 4.772 6.090 0.090 4 0 "[ . 1 . 2 ]" 1 1405 1 53 VAL MG2 1 84 ALA MB 1.800 . 6.000 3.044 1.973 3.327 . 0 0 "[ . 1 . 2 ]" 1 1406 2 53 VAL MG2 2 84 ALA MB 1.800 . 6.000 3.043 1.973 3.327 . 0 0 "[ . 1 . 2 ]" 1 1407 1 48 ILE QG 1 54 VAL MG2 1.800 . 6.000 3.041 2.413 3.693 . 0 0 "[ . 1 . 2 ]" 1 1408 2 48 ILE QG 2 54 VAL MG2 1.800 . 6.000 3.041 2.413 3.693 . 0 0 "[ . 1 . 2 ]" 1 1409 1 54 VAL H 1 84 ALA MB 1.800 . 6.000 3.550 3.268 3.870 . 0 0 "[ . 1 . 2 ]" 1 1410 2 54 VAL H 2 84 ALA MB 1.800 . 6.000 3.550 3.268 3.870 . 0 0 "[ . 1 . 2 ]" 1 1411 1 54 VAL MG2 1 84 ALA MB 1.800 . 2.900 2.533 2.207 2.798 . 0 0 "[ . 1 . 2 ]" 1 1412 2 54 VAL MG2 2 84 ALA MB 1.800 . 2.900 2.533 2.207 2.799 . 0 0 "[ . 1 . 2 ]" 1 1413 1 57 VAL MG2 1 77 PHE HA 1.800 . 6.000 4.324 3.851 4.727 . 0 0 "[ . 1 . 2 ]" 1 1414 2 57 VAL MG2 2 77 PHE HA 1.800 . 6.000 4.324 3.850 4.726 . 0 0 "[ . 1 . 2 ]" 1 1415 1 57 VAL MG2 1 77 PHE QE 1.800 . 4.300 4.185 3.451 4.343 0.043 17 0 "[ . 1 . 2 ]" 1 1416 2 57 VAL MG2 2 77 PHE QE 1.800 . 4.300 4.185 3.451 4.343 0.043 17 0 "[ . 1 . 2 ]" 1 1417 1 57 VAL MG2 1 80 MET HA 1.800 . 5.000 4.853 4.340 5.020 0.020 2 0 "[ . 1 . 2 ]" 1 1418 2 57 VAL MG2 2 80 MET HA 1.800 . 5.000 4.853 4.340 5.020 0.020 2 0 "[ . 1 . 2 ]" 1 1419 1 57 VAL MG2 1 80 MET QB 1.800 . 5.000 2.670 2.263 2.874 . 0 0 "[ . 1 . 2 ]" 1 1420 2 57 VAL MG2 2 80 MET QB 1.800 . 5.000 2.670 2.263 2.874 . 0 0 "[ . 1 . 2 ]" 1 1421 1 57 VAL H 1 81 VAL MG2 1.800 . 6.000 5.033 4.905 5.412 . 0 0 "[ . 1 . 2 ]" 1 1422 2 57 VAL H 2 81 VAL MG2 1.800 . 6.000 5.033 4.905 5.411 . 0 0 "[ . 1 . 2 ]" 1 1423 1 34 LYS HA 1 58 MET ME 1.800 . 5.000 4.492 4.036 4.870 . 0 0 "[ . 1 . 2 ]" 1 1424 2 34 LYS HA 2 58 MET ME 1.800 . 5.000 4.492 4.037 4.870 . 0 0 "[ . 1 . 2 ]" 1 1425 1 34 LYS QG 1 58 MET ME 1.800 . 5.000 3.349 2.848 4.065 . 0 0 "[ . 1 . 2 ]" 1 1426 2 34 LYS QG 2 58 MET ME 1.800 . 5.000 3.350 2.849 4.064 . 0 0 "[ . 1 . 2 ]" 1 1427 1 37 ILE HB 1 58 MET ME 1.800 . 5.000 3.589 2.998 4.078 . 0 0 "[ . 1 . 2 ]" 1 1428 2 37 ILE HB 2 58 MET ME 1.800 . 5.000 3.589 2.998 4.078 . 0 0 "[ . 1 . 2 ]" 1 1429 1 37 ILE MD 1 58 MET ME 1.800 . 4.200 3.031 2.358 3.646 . 0 0 "[ . 1 . 2 ]" 1 1430 2 37 ILE MD 2 58 MET ME 1.800 . 4.200 3.031 2.358 3.646 . 0 0 "[ . 1 . 2 ]" 1 1431 1 37 ILE MG 1 58 MET ME 1.800 . 3.300 2.588 2.090 3.296 . 0 0 "[ . 1 . 2 ]" 1 1432 2 37 ILE MG 2 58 MET ME 1.800 . 3.300 2.588 2.090 3.296 . 0 0 "[ . 1 . 2 ]" 1 1433 1 38 ASN HA 1 58 MET ME 1.800 . 5.000 4.966 4.733 5.044 0.044 19 0 "[ . 1 . 2 ]" 1 1434 2 38 ASN HA 2 58 MET ME 1.800 . 5.000 4.966 4.734 5.044 0.044 19 0 "[ . 1 . 2 ]" 1 1435 1 58 MET H 1 81 VAL MG2 1.800 . 6.000 5.050 4.841 5.349 . 0 0 "[ . 1 . 2 ]" 1 1436 2 58 MET H 2 81 VAL MG2 1.800 . 6.000 5.050 4.840 5.349 . 0 0 "[ . 1 . 2 ]" 1 1437 1 58 MET ME 1 81 VAL MG2 1.800 . 5.000 4.161 3.351 5.006 0.006 11 0 "[ . 1 . 2 ]" 1 1438 2 58 MET ME 2 81 VAL MG2 1.800 . 5.000 4.161 3.352 5.006 0.006 11 0 "[ . 1 . 2 ]" 1 1439 1 60 THR MG 1 77 PHE HZ 1.800 . 5.000 2.530 2.075 3.998 . 0 0 "[ . 1 . 2 ]" 1 1440 2 60 THR MG 2 77 PHE HZ 1.800 . 5.000 2.530 2.075 3.998 . 0 0 "[ . 1 . 2 ]" 1 1441 1 34 LYS QB 1 61 LEU QD 1.800 . 5.000 3.455 2.410 4.311 . 0 0 "[ . 1 . 2 ]" 1 1442 2 34 LYS QB 2 61 LEU QD 1.800 . 5.000 3.455 2.410 4.310 . 0 0 "[ . 1 . 2 ]" 1 1443 1 37 ILE MD 1 61 LEU QD 1.800 . 3.300 2.121 1.876 2.862 . 0 0 "[ . 1 . 2 ]" 1 1444 2 37 ILE MD 2 61 LEU QD 1.800 . 3.300 2.121 1.877 2.862 . 0 0 "[ . 1 . 2 ]" 1 1445 1 61 LEU H 1 77 PHE HZ 1.800 . 6.000 4.685 3.829 5.240 . 0 0 "[ . 1 . 2 ]" 1 1446 2 61 LEU H 2 77 PHE HZ 1.800 . 6.000 4.686 3.831 5.241 . 0 0 "[ . 1 . 2 ]" 1 1447 1 30 LYS QB 1 64 ASP HA 1.800 . 5.000 4.023 3.669 4.344 . 0 0 "[ . 1 . 2 ]" 1 1448 2 30 LYS QB 2 64 ASP HA 1.800 . 5.000 4.044 3.697 4.358 . 0 0 "[ . 1 . 2 ]" 1 1449 1 30 LYS QB 1 67 GLY H 1.800 . 6.000 5.839 5.539 6.073 0.073 6 0 "[ . 1 . 2 ]" 1 1450 2 30 LYS QB 2 67 GLY H 1.800 . 6.000 5.840 5.540 6.073 0.073 6 0 "[ . 1 . 2 ]" 1 1451 1 30 LYS QE 1 67 GLY H 1.800 . 6.000 5.082 4.188 6.022 0.022 4 0 "[ . 1 . 2 ]" 1 1452 2 30 LYS QE 2 67 GLY H 1.800 . 6.000 5.083 4.192 6.023 0.023 4 0 "[ . 1 . 2 ]" 1 1453 1 29 LYS HA 1 68 GLU H 1.800 . 6.000 5.463 5.370 5.621 . 0 0 "[ . 1 . 2 ]" 1 1454 2 29 LYS HA 2 68 GLU H 1.800 . 6.000 5.463 5.371 5.621 . 0 0 "[ . 1 . 2 ]" 1 1455 1 29 LYS QG 1 68 GLU HA 1.800 . 3.500 3.043 2.619 3.468 . 0 0 "[ . 1 . 2 ]" 1 1456 2 29 LYS QG 2 68 GLU HA 1.800 . 3.500 3.043 2.620 3.468 . 0 0 "[ . 1 . 2 ]" 1 1457 1 27 LYS HA 1 69 CYS H 1.800 . 6.000 5.277 5.150 5.377 . 0 0 "[ . 1 . 2 ]" 1 1458 2 27 LYS HA 2 69 CYS H 1.800 . 6.000 5.277 5.149 5.377 . 0 0 "[ . 1 . 2 ]" 1 1459 1 27 LYS QB 1 69 CYS H 1.800 . 6.000 3.989 3.766 4.258 . 0 0 "[ . 1 . 2 ]" 1 1460 2 27 LYS QB 2 69 CYS H 1.800 . 6.000 3.990 3.767 4.258 . 0 0 "[ . 1 . 2 ]" 1 1461 1 28 LEU QB 1 69 CYS H 1.800 . 5.000 4.241 4.121 4.350 . 0 0 "[ . 1 . 2 ]" 1 1462 2 28 LEU QB 2 69 CYS H 1.800 . 5.000 4.241 4.121 4.350 . 0 0 "[ . 1 . 2 ]" 1 1463 1 28 LEU QD 1 69 CYS H 1.800 . 6.000 5.100 4.785 5.372 . 0 0 "[ . 1 . 2 ]" 1 1464 2 28 LEU QD 2 69 CYS H 1.800 . 6.000 5.100 4.785 5.372 . 0 0 "[ . 1 . 2 ]" 1 1465 1 29 LYS H 1 69 CYS H 1.800 . 6.000 4.483 4.315 4.641 . 0 0 "[ . 1 . 2 ]" 1 1466 2 29 LYS H 2 69 CYS H 1.800 . 6.000 4.483 4.315 4.642 . 0 0 "[ . 1 . 2 ]" 1 1467 1 29 LYS HA 1 69 CYS H 1.800 . 5.000 2.520 2.320 2.711 . 0 0 "[ . 1 . 2 ]" 1 1468 2 29 LYS HA 2 69 CYS H 1.800 . 5.000 2.520 2.320 2.712 . 0 0 "[ . 1 . 2 ]" 1 1469 1 29 LYS QB 1 69 CYS H 1.800 . 5.000 4.573 4.350 4.790 . 0 0 "[ . 1 . 2 ]" 1 1470 2 29 LYS QB 2 69 CYS H 1.800 . 5.000 4.573 4.350 4.790 . 0 0 "[ . 1 . 2 ]" 1 1471 1 30 LYS H 1 69 CYS H 1.800 . 6.000 3.982 3.882 4.159 . 0 0 "[ . 1 . 2 ]" 1 1472 2 30 LYS H 2 69 CYS H 1.800 . 6.000 3.982 3.882 4.159 . 0 0 "[ . 1 . 2 ]" 1 1473 1 27 LYS QB 1 70 ASP H 1.800 . 6.000 5.206 4.842 5.673 . 0 0 "[ . 1 . 2 ]" 1 1474 2 27 LYS QB 2 70 ASP H 1.800 . 6.000 5.206 4.843 5.674 . 0 0 "[ . 1 . 2 ]" 1 1475 1 15 PHE QE 1 71 PHE H 1.800 . 6.000 5.618 5.407 5.875 . 0 0 "[ . 1 . 2 ]" 1 1476 2 15 PHE QE 2 71 PHE H 1.800 . 6.000 5.618 5.406 5.875 . 0 0 "[ . 1 . 2 ]" 1 1477 1 15 PHE QE 1 71 PHE HA 1.800 . 4.200 3.776 3.455 4.201 0.001 13 0 "[ . 1 . 2 ]" 1 1478 2 15 PHE QE 2 71 PHE HA 1.800 . 4.200 3.776 3.455 4.201 0.001 13 0 "[ . 1 . 2 ]" 1 1479 1 15 PHE HZ 1 71 PHE H 1.800 . 6.000 5.271 5.066 5.531 . 0 0 "[ . 1 . 2 ]" 1 1480 2 15 PHE HZ 2 71 PHE H 1.800 . 6.000 5.271 5.066 5.530 . 0 0 "[ . 1 . 2 ]" 1 1481 1 15 PHE HZ 1 71 PHE HA 1.800 . 5.000 4.185 3.880 4.457 . 0 0 "[ . 1 . 2 ]" 1 1482 2 15 PHE HZ 2 71 PHE HA 1.800 . 5.000 4.184 3.880 4.456 . 0 0 "[ . 1 . 2 ]" 1 1483 1 8 MET ME 2 75 MET ME 1.800 . 3.300 3.309 3.188 3.351 0.051 12 0 "[ . 1 . 2 ]" 1 1484 1 75 MET ME 2 8 MET ME 1.800 . 3.300 3.311 3.194 3.359 0.059 12 0 "[ . 1 . 2 ]" 1 1485 1 11 LEU QD 1 75 MET ME 1.800 . 5.000 2.817 2.176 3.636 . 0 0 "[ . 1 . 2 ]" 1 1486 2 11 LEU QD 2 75 MET ME 1.800 . 5.000 2.817 2.176 3.636 . 0 0 "[ . 1 . 2 ]" 1 1487 1 33 LEU QD 1 78 VAL H 1.800 . 6.000 4.702 4.367 5.037 . 0 0 "[ . 1 . 2 ]" 1 1488 2 33 LEU QD 2 78 VAL H 1.800 . 6.000 4.702 4.368 5.036 . 0 0 "[ . 1 . 2 ]" 1 1489 1 37 ILE MD 1 78 VAL H 1.800 . 6.000 5.893 5.154 6.068 0.068 13 0 "[ . 1 . 2 ]" 1 1490 2 37 ILE MD 2 78 VAL H 1.800 . 6.000 5.893 5.153 6.067 0.067 13 0 "[ . 1 . 2 ]" 1 1491 1 37 ILE MD 1 78 VAL MG2 1.800 . 5.000 4.373 3.679 4.604 . 0 0 "[ . 1 . 2 ]" 1 1492 2 37 ILE MD 2 78 VAL MG2 1.800 . 5.000 4.373 3.679 4.604 . 0 0 "[ . 1 . 2 ]" 1 1493 1 53 VAL MG1 1 80 MET ME 1.800 . 6.000 4.338 3.055 5.912 . 0 0 "[ . 1 . 2 ]" 1 1494 2 53 VAL MG1 2 80 MET ME 1.800 . 6.000 4.338 3.055 5.912 . 0 0 "[ . 1 . 2 ]" 1 1495 1 57 VAL MG2 1 80 MET ME 1.800 . 4.300 3.426 2.493 4.300 . 0 0 "[ . 1 . 2 ]" 1 1496 2 57 VAL MG2 2 80 MET ME 1.800 . 4.300 3.426 2.494 4.299 . 0 0 "[ . 1 . 2 ]" 1 1497 1 57 VAL MG1 1 80 MET ME 1.800 . 5.000 4.736 3.843 5.000 . 0 0 "[ . 1 . 2 ]" 1 1498 2 57 VAL MG1 2 80 MET ME 1.800 . 5.000 4.736 3.843 5.000 . 0 0 "[ . 1 . 2 ]" 1 1499 1 37 ILE MG 1 81 VAL MG2 1.800 . 3.300 3.322 3.181 3.361 0.061 12 0 "[ . 1 . 2 ]" 1 1500 2 37 ILE MG 2 81 VAL MG2 1.800 . 3.300 3.322 3.180 3.361 0.061 12 0 "[ . 1 . 2 ]" 1 1501 1 37 ILE MD 1 81 VAL MG2 1.800 . 3.300 3.198 2.870 3.319 0.019 19 0 "[ . 1 . 2 ]" 1 1502 2 37 ILE MD 2 81 VAL MG2 1.800 . 3.300 3.199 2.871 3.320 0.020 19 0 "[ . 1 . 2 ]" 1 1503 1 41 LEU QD 1 81 VAL MG2 1.800 . 6.000 2.997 2.638 3.845 . 0 0 "[ . 1 . 2 ]" 1 1504 2 41 LEU QD 2 81 VAL MG2 1.800 . 6.000 2.997 2.639 3.845 . 0 0 "[ . 1 . 2 ]" 1 1505 1 57 VAL MG1 1 81 VAL MG2 1.800 . 5.000 2.062 1.986 2.211 . 0 0 "[ . 1 . 2 ]" 1 1506 2 57 VAL MG1 2 81 VAL MG2 1.800 . 5.000 2.062 1.986 2.212 . 0 0 "[ . 1 . 2 ]" 1 1507 1 44 PHE QE 1 82 THR MG 1.800 . 5.000 3.585 2.134 4.341 . 0 0 "[ . 1 . 2 ]" 1 1508 2 44 PHE QE 2 82 THR MG 1.800 . 5.000 3.585 2.135 4.340 . 0 0 "[ . 1 . 2 ]" 1 1509 1 50 GLU QB 1 84 ALA MB 1.800 . 4.200 3.292 2.645 4.104 . 0 0 "[ . 1 . 2 ]" 1 1510 2 50 GLU QB 2 84 ALA MB 1.800 . 4.200 3.292 2.645 4.104 . 0 0 "[ . 1 . 2 ]" 1 1511 1 50 GLU QG 1 84 ALA MB 1.800 . 5.000 4.497 3.685 5.058 0.058 8 0 "[ . 1 . 2 ]" 1 1512 2 50 GLU QG 2 84 ALA MB 1.800 . 5.000 4.497 3.685 5.058 0.058 8 0 "[ . 1 . 2 ]" 1 1513 1 53 VAL HA 1 84 ALA MB 1.800 . 6.000 4.701 4.574 4.885 . 0 0 "[ . 1 . 2 ]" 1 1514 2 53 VAL HA 2 84 ALA MB 1.800 . 6.000 4.701 4.575 4.885 . 0 0 "[ . 1 . 2 ]" 1 1515 1 53 VAL HB 1 84 ALA H 1.800 . 6.000 5.700 5.298 6.036 0.036 11 0 "[ . 1 . 2 ]" 1 1516 2 53 VAL HB 2 84 ALA H 1.800 . 6.000 5.700 5.299 6.036 0.036 11 0 "[ . 1 . 2 ]" 1 1517 1 53 VAL HB 1 84 ALA MB 1.800 . 5.000 2.464 2.259 2.905 . 0 0 "[ . 1 . 2 ]" 1 1518 2 53 VAL HB 2 84 ALA MB 1.800 . 5.000 2.464 2.259 2.906 . 0 0 "[ . 1 . 2 ]" 1 1519 1 53 VAL MG1 1 84 ALA H 1.800 . 6.000 4.204 3.661 6.014 0.014 7 0 "[ . 1 . 2 ]" 1 1520 2 53 VAL MG1 2 84 ALA H 1.800 . 6.000 4.204 3.662 6.014 0.014 7 0 "[ . 1 . 2 ]" 1 1521 1 53 VAL MG1 1 84 ALA MB 1.800 . 3.500 2.240 1.908 3.549 0.049 7 0 "[ . 1 . 2 ]" 1 1522 2 53 VAL MG1 2 84 ALA MB 1.800 . 3.500 2.240 1.908 3.550 0.050 7 0 "[ . 1 . 2 ]" 1 1523 1 54 VAL HA 1 84 ALA MB 1.800 . 5.000 3.971 3.548 4.550 . 0 0 "[ . 1 . 2 ]" 1 1524 2 54 VAL HA 2 84 ALA MB 1.800 . 5.000 3.970 3.548 4.550 . 0 0 "[ . 1 . 2 ]" 1 1525 1 54 VAL HB 1 84 ALA MB 1.800 . 5.000 4.759 4.455 5.022 0.022 9 0 "[ . 1 . 2 ]" 1 1526 2 54 VAL HB 2 84 ALA MB 1.800 . 5.000 4.759 4.455 5.021 0.021 9 0 "[ . 1 . 2 ]" 1 1527 1 83 THR MG 1 88 PHE QD 1.800 . 5.000 4.326 3.126 4.945 . 0 0 "[ . 1 . 2 ]" 1 1528 2 83 THR MG 2 88 PHE QD 1.800 . 5.000 4.326 3.126 4.945 . 0 0 "[ . 1 . 2 ]" 1 1529 1 14 VAL QG 2 3 GLU H 1.800 . 5.000 3.936 3.531 4.614 . 0 0 "[ . 1 . 2 ]" 1 1530 1 3 GLU H 2 14 VAL QG 1.800 . 5.000 3.930 3.521 4.613 . 0 0 "[ . 1 . 2 ]" 1 1531 1 11 LEU HA 2 4 LEU QD 1.800 . 5.000 3.309 2.314 3.673 . 0 0 "[ . 1 . 2 ]" 1 1532 1 4 LEU QD 2 11 LEU HA 1.800 . 5.000 3.307 2.316 3.687 . 0 0 "[ . 1 . 2 ]" 1 1533 1 11 LEU HG 2 4 LEU QD 1.800 . 5.000 3.293 2.124 4.160 . 0 0 "[ . 1 . 2 ]" 1 1534 1 4 LEU QD 2 11 LEU HG 1.800 . 5.000 3.291 2.111 4.173 . 0 0 "[ . 1 . 2 ]" 1 1535 1 14 VAL QG 2 4 LEU H 1.800 . 4.200 2.764 2.392 3.390 . 0 0 "[ . 1 . 2 ]" 1 1536 1 4 LEU H 2 14 VAL QG 1.800 . 4.200 2.758 2.361 3.368 . 0 0 "[ . 1 . 2 ]" 1 1537 1 14 VAL HB 2 4 LEU QD 1.800 . 5.000 2.956 2.330 3.463 . 0 0 "[ . 1 . 2 ]" 1 1538 1 4 LEU QD 2 14 VAL HB 1.800 . 5.000 2.955 2.289 3.390 . 0 0 "[ . 1 . 2 ]" 1 1539 1 40 GLU QB 2 4 LEU QD 1.800 . 5.000 2.827 2.076 3.851 . 0 0 "[ . 1 . 2 ]" 1 1540 1 4 LEU QD 2 40 GLU QB 1.800 . 5.000 2.827 2.067 3.846 . 0 0 "[ . 1 . 2 ]" 1 1541 1 74 PHE QE 2 4 LEU QD 1.800 . 6.000 3.750 3.267 4.275 . 0 0 "[ . 1 . 2 ]" 1 1542 1 4 LEU QD 2 74 PHE QE 1.800 . 6.000 3.745 3.267 4.285 . 0 0 "[ . 1 . 2 ]" 1 1543 1 74 PHE HZ 2 4 LEU QD 1.800 . 6.000 3.223 2.611 3.684 . 0 0 "[ . 1 . 2 ]" 1 1544 1 4 LEU QD 2 74 PHE HZ 1.800 . 6.000 3.217 2.590 3.675 . 0 0 "[ . 1 . 2 ]" 1 1545 1 7 ALA HA 2 7 ALA MB 1.800 . 5.000 2.611 2.220 3.039 . 0 0 "[ . 1 . 2 ]" 1 1546 1 7 ALA MB 2 7 ALA HA 1.800 . 5.000 2.611 2.224 3.039 . 0 0 "[ . 1 . 2 ]" 1 1547 1 11 LEU HA 2 7 ALA MB 1.800 . 5.000 4.511 4.168 4.760 . 0 0 "[ . 1 . 2 ]" 1 1548 1 7 ALA MB 2 11 LEU HA 1.800 . 5.000 4.507 4.167 4.754 . 0 0 "[ . 1 . 2 ]" 1 1549 1 11 LEU QB 2 7 ALA MB 1.800 . 5.000 4.736 4.191 5.013 0.013 2 0 "[ . 1 . 2 ]" 1 1550 1 7 ALA MB 2 11 LEU QB 1.800 . 5.000 4.733 4.192 5.046 0.046 13 0 "[ . 1 . 2 ]" 1 1551 1 11 LEU HG 2 7 ALA MB 1.800 . 5.000 3.573 2.763 4.813 . 0 0 "[ . 1 . 2 ]" 1 1552 1 7 ALA MB 2 11 LEU HG 1.800 . 5.000 3.569 2.753 4.807 . 0 0 "[ . 1 . 2 ]" 1 1553 1 11 LEU QD 2 8 MET ME 1.800 . 5.000 3.600 2.937 4.270 . 0 0 "[ . 1 . 2 ]" 1 1554 1 8 MET ME 2 11 LEU QD 1.800 . 5.000 3.600 2.945 4.261 . 0 0 "[ . 1 . 2 ]" 1 1555 1 78 VAL MG2 2 8 MET ME 1.800 . 5.000 4.536 3.695 5.014 0.014 7 0 "[ . 1 . 2 ]" 1 1556 1 8 MET ME 2 78 VAL MG2 1.800 . 5.000 4.531 3.682 5.018 0.018 7 0 "[ . 1 . 2 ]" 1 1557 1 79 SER HA 2 8 MET ME 1.800 . 6.000 4.274 3.739 4.916 . 0 0 "[ . 1 . 2 ]" 1 1558 1 8 MET ME 2 79 SER HA 1.800 . 6.000 4.270 3.698 4.902 . 0 0 "[ . 1 . 2 ]" 1 1559 1 82 THR HB 2 8 MET ME 1.800 . 5.000 3.770 3.330 4.229 . 0 0 "[ . 1 . 2 ]" 1 1560 1 8 MET ME 2 82 THR HB 1.800 . 5.000 3.770 3.308 4.196 . 0 0 "[ . 1 . 2 ]" 1 1561 1 44 PHE HZ 2 9 VAL MG2 1.800 . 5.000 2.635 2.196 4.319 . 0 0 "[ . 1 . 2 ]" 1 1562 1 9 VAL MG2 2 44 PHE HZ 1.800 . 5.000 2.629 2.186 4.280 . 0 0 "[ . 1 . 2 ]" 1 1563 1 44 PHE QE 2 9 VAL MG2 1.800 . 5.000 3.049 2.616 3.468 . 0 0 "[ . 1 . 2 ]" 1 1564 1 9 VAL MG2 2 44 PHE QE 1.800 . 5.000 3.043 2.584 3.467 . 0 0 "[ . 1 . 2 ]" 1 1565 1 44 PHE HZ 2 9 VAL H 1.800 . 6.000 3.850 3.224 5.989 . 0 0 "[ . 1 . 2 ]" 1 1566 1 9 VAL H 2 44 PHE HZ 1.800 . 6.000 3.845 3.273 5.954 . 0 0 "[ . 1 . 2 ]" 1 1567 1 4 LEU HA 2 11 LEU QD 1.800 . 5.000 3.674 2.948 4.105 . 0 0 "[ . 1 . 2 ]" 1 1568 1 11 LEU QD 2 4 LEU HA 1.800 . 5.000 3.678 2.958 4.115 . 0 0 "[ . 1 . 2 ]" 1 1569 1 7 ALA MB 2 11 LEU QD 1.800 . 3.300 2.809 1.927 3.361 0.061 2 0 "[ . 1 . 2 ]" 1 1570 1 11 LEU QD 2 7 ALA MB 1.800 . 3.300 2.812 1.924 3.367 0.067 2 0 "[ . 1 . 2 ]" 1 1571 1 11 LEU HG 2 11 LEU QD 1.800 . 5.000 4.360 3.799 4.849 . 0 0 "[ . 1 . 2 ]" 1 1572 1 11 LEU QD 2 11 LEU HG 1.800 . 5.000 4.360 3.804 4.846 . 0 0 "[ . 1 . 2 ]" 1 1573 1 3 GLU QB 2 14 VAL MG2 1.800 . 3.300 2.696 2.318 3.205 . 0 0 "[ . 1 . 2 ]" 1 1574 1 14 VAL MG2 2 3 GLU QB 1.800 . 3.300 2.701 2.319 3.232 . 0 0 "[ . 1 . 2 ]" 1 1575 1 3 GLU QB 2 14 VAL MG1 1.800 . 5.000 4.484 4.250 4.908 . 0 0 "[ . 1 . 2 ]" 1 1576 1 14 VAL MG1 2 3 GLU QB 1.800 . 5.000 4.488 4.261 4.908 . 0 0 "[ . 1 . 2 ]" 1 1577 1 3 GLU QG 2 14 VAL MG2 1.800 . 4.200 3.872 3.603 4.217 0.017 6 0 "[ . 1 . 2 ]" 1 1578 1 14 VAL MG2 2 3 GLU QG 1.800 . 4.200 3.876 3.603 4.215 0.015 6 0 "[ . 1 . 2 ]" 1 1579 1 3 GLU QG 2 14 VAL MG1 1.800 . 6.000 5.652 5.241 6.002 0.002 1 0 "[ . 1 . 2 ]" 1 1580 1 14 VAL MG1 2 3 GLU QG 1.800 . 6.000 5.656 5.249 6.015 0.015 1 0 "[ . 1 . 2 ]" 1 1581 1 4 LEU HA 2 14 VAL MG2 1.800 . 5.000 3.359 3.066 3.591 . 0 0 "[ . 1 . 2 ]" 1 1582 1 14 VAL MG2 2 4 LEU HA 1.800 . 5.000 3.360 3.061 3.626 . 0 0 "[ . 1 . 2 ]" 1 1583 1 4 LEU QB 2 14 VAL MG1 1.800 . 5.000 2.452 2.269 2.938 . 0 0 "[ . 1 . 2 ]" 1 1584 1 14 VAL MG1 2 4 LEU QB 1.800 . 5.000 2.457 2.276 2.970 . 0 0 "[ . 1 . 2 ]" 1 1585 1 4 LEU QB 2 14 VAL MG2 1.800 . 5.000 2.404 2.260 2.787 . 0 0 "[ . 1 . 2 ]" 1 1586 1 14 VAL MG2 2 4 LEU QB 1.800 . 5.000 2.405 2.266 2.861 . 0 0 "[ . 1 . 2 ]" 1 1587 1 4 LEU QD 2 14 VAL MG1 1.800 . 2.900 2.319 2.126 2.611 . 0 0 "[ . 1 . 2 ]" 1 1588 1 14 VAL MG1 2 4 LEU QD 1.800 . 2.900 2.318 2.105 2.633 . 0 0 "[ . 1 . 2 ]" 1 1589 1 7 ALA MB 2 14 VAL MG2 1.800 . 5.000 4.892 4.613 5.047 0.047 2 0 "[ . 1 . 2 ]" 1 1590 1 14 VAL MG2 2 7 ALA MB 1.800 . 5.000 4.892 4.610 5.049 0.049 2 0 "[ . 1 . 2 ]" 1 1591 1 4 LEU QD 2 15 PHE H 1.800 . 6.000 4.441 4.021 4.937 . 0 0 "[ . 1 . 2 ]" 1 1592 1 15 PHE H 2 4 LEU QD 1.800 . 6.000 4.444 4.059 4.986 . 0 0 "[ . 1 . 2 ]" 1 1593 1 88 PHE HZ 2 15 PHE QD 1.800 . 5.000 4.721 3.776 5.015 0.015 14 0 "[ . 1 . 2 ]" 1 1594 1 15 PHE QD 2 88 PHE HZ 1.800 . 5.000 4.710 3.778 5.024 0.024 19 0 "[ . 1 . 2 ]" 1 1595 1 9 VAL MG2 2 41 LEU QD 1.800 . 6.000 6.013 5.924 6.074 0.074 20 0 "[ . 1 . 2 ]" 1 1596 1 41 LEU QD 2 9 VAL MG2 1.800 . 6.000 6.019 5.921 6.067 0.067 4 0 "[ . 1 . 2 ]" 1 1597 1 9 VAL MG1 2 44 PHE QD 1.800 . 6.000 6.016 5.953 6.071 0.071 13 0 "[ . 1 . 2 ]" 1 1598 1 44 PHE QD 2 9 VAL MG1 1.800 . 6.000 6.023 5.970 6.063 0.063 7 0 "[ . 1 . 2 ]" 1 1599 1 83 THR MG 2 72 GLN H 1.800 . 5.000 4.002 3.487 4.538 . 0 0 "[ . 1 . 2 ]" 1 1600 1 72 GLN H 2 83 THR MG 1.800 . 5.000 4.000 3.503 4.478 . 0 0 "[ . 1 . 2 ]" 1 1601 1 11 LEU QD 2 75 MET ME 1.800 . 4.200 3.788 3.474 4.184 . 0 0 "[ . 1 . 2 ]" 1 1602 1 75 MET ME 2 11 LEU QD 1.800 . 4.200 3.790 3.482 4.175 . 0 0 "[ . 1 . 2 ]" 1 1603 1 79 SER QB 2 75 MET ME 1.800 . 5.000 4.675 3.662 5.017 0.017 8 0 "[ . 1 . 2 ]" 1 1604 1 75 MET ME 2 79 SER QB 1.800 . 5.000 4.670 3.666 5.020 0.020 8 0 "[ . 1 . 2 ]" 1 1605 1 4 LEU QD 2 78 VAL MG1 1.800 . 4.200 3.979 3.753 4.204 0.004 5 0 "[ . 1 . 2 ]" 1 1606 1 78 VAL MG1 2 4 LEU QD 1.800 . 4.200 3.981 3.756 4.214 0.014 5 0 "[ . 1 . 2 ]" 1 1607 1 4 LEU QD 2 78 VAL MG2 1.800 . 5.000 4.310 3.992 4.668 . 0 0 "[ . 1 . 2 ]" 1 1608 1 78 VAL MG2 2 4 LEU QD 1.800 . 5.000 4.313 4.006 4.619 . 0 0 "[ . 1 . 2 ]" 1 1609 1 8 MET ME 2 78 VAL MG1 1.800 . 3.300 2.520 1.960 2.989 . 0 0 "[ . 1 . 2 ]" 1 1610 1 78 VAL MG1 2 8 MET ME 1.800 . 3.300 2.525 1.985 2.971 . 0 0 "[ . 1 . 2 ]" 1 1611 1 72 GLN QE 2 80 MET H 1.800 . 6.000 4.578 2.569 5.478 . 0 0 "[ . 1 . 2 ]" 1 1612 1 80 MET H 2 72 GLN QE 1.800 . 6.000 4.581 2.592 5.452 . 0 0 "[ . 1 . 2 ]" 1 1613 1 8 MET ME 2 82 THR MG 1.800 . 3.300 2.580 2.139 3.322 0.022 11 0 "[ . 1 . 2 ]" 1 1614 1 82 THR MG 2 8 MET ME 1.800 . 3.300 2.581 2.134 3.327 0.027 11 0 "[ . 1 . 2 ]" 1 1615 1 12 ILE MD 2 82 THR MG 1.800 . 5.000 3.404 2.171 5.013 0.013 10 0 "[ . 1 . 2 ]" 1 1616 1 82 THR MG 2 12 ILE MD 1.800 . 5.000 3.409 2.178 5.016 0.016 10 0 "[ . 1 . 2 ]" 1 1617 1 71 PHE QD 2 83 THR MG 1.800 . 3.300 3.105 2.519 3.316 0.016 6 0 "[ . 1 . 2 ]" 1 1618 1 83 THR MG 2 71 PHE QD 1.800 . 3.300 3.111 2.503 3.337 0.037 6 0 "[ . 1 . 2 ]" 1 1619 1 15 PHE QD 2 88 PHE QE 1.800 . 5.000 3.752 3.150 4.439 . 0 0 "[ . 1 . 2 ]" 1 1620 1 88 PHE QE 2 15 PHE QD 1.800 . 5.000 3.762 3.080 4.405 . 0 0 "[ . 1 . 2 ]" 1 1621 1 71 PHE QB 2 88 PHE QE 1.800 . 5.000 3.904 3.037 5.014 0.014 20 0 "[ . 1 . 2 ]" 1 1622 1 88 PHE QE 2 71 PHE QB 1.800 . 5.000 3.909 3.105 4.966 . 0 0 "[ . 1 . 2 ]" 1 1623 1 71 PHE QD 2 88 PHE QD 1.800 . 6.000 5.617 4.396 5.977 . 0 0 "[ . 1 . 2 ]" 1 1624 1 88 PHE QD 2 71 PHE QD 1.800 . 6.000 5.619 4.377 5.985 . 0 0 "[ . 1 . 2 ]" 1 1625 1 71 PHE QD 2 88 PHE QE 1.800 . 4.200 3.898 2.877 4.258 0.058 14 0 "[ . 1 . 2 ]" 1 1626 1 88 PHE QE 2 71 PHE QD 1.800 . 4.200 3.900 2.885 4.265 0.065 14 0 "[ . 1 . 2 ]" 1 1627 1 71 PHE QE 2 88 PHE QD 1.800 . 6.000 5.598 4.421 6.016 0.016 4 0 "[ . 1 . 2 ]" 1 1628 1 88 PHE QD 2 71 PHE QE 1.800 . 6.000 5.599 4.458 6.031 0.031 4 0 "[ . 1 . 2 ]" 1 1629 1 12 ILE MG 2 89 PHE H 1.800 . 6.000 4.770 4.300 5.199 . 0 0 "[ . 1 . 2 ]" 1 1630 1 89 PHE H 2 12 ILE MG 1.800 . 6.000 4.774 4.299 5.214 . 0 0 "[ . 1 . 2 ]" 1 1631 1 15 PHE QD 2 89 PHE QE 1.800 . 3.300 2.463 2.327 2.995 . 0 0 "[ . 1 . 2 ]" 1 1632 1 89 PHE QE 2 15 PHE QD 1.800 . 3.300 2.473 2.320 2.972 . 0 0 "[ . 1 . 2 ]" 1 1633 1 71 PHE QE 2 89 PHE QE 1.800 . 4.300 4.329 4.307 4.391 0.091 19 0 "[ . 1 . 2 ]" 1 1634 1 89 PHE QE 2 71 PHE QE 1.800 . 4.300 4.331 4.290 4.378 0.078 19 0 "[ . 1 . 2 ]" 1 stop_ save_ save_distance_constraint_statistics_2 _Distance_constraint_stats_list.Sf_category distance_constraint_statistics _Distance_constraint_stats_list.Constraint_list_ID 2 _Distance_constraint_stats_list.Constraint_count 176 _Distance_constraint_stats_list.Viol_count 218 _Distance_constraint_stats_list.Viol_total 1052.352 _Distance_constraint_stats_list.Viol_max 1.584 _Distance_constraint_stats_list.Viol_rms 0.1054 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0136 _Distance_constraint_stats_list.Viol_average_violations_only 0.2299 _Distance_constraint_stats_list.Cutoff_violation_report 0.500 _Distance_constraint_stats_list.Details . loop_ _Distance_constraint_stats_per_res.Atom_entity_assembly_ID _Distance_constraint_stats_per_res.Atom_comp_index_ID _Distance_constraint_stats_per_res.Atom_comp_ID _Distance_constraint_stats_per_res.Total_violation _Distance_constraint_stats_per_res.Max_violation _Distance_constraint_stats_per_res.Max_violation_model_number _Distance_constraint_stats_per_res.Over_cutoff_viol_count _Distance_constraint_stats_per_res.Over_cutoff_viol_per_model 1 2 SER 19.332 1.584 1 10 "[+ **.* *** -. ** ]" 1 3 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 4 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 5 GLU 19.310 1.584 1 10 "[+ **.* *** -. ** ]" 1 6 LYS 0.061 0.033 18 0 "[ . 1 . 2 ]" 1 7 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 8 MET 1.789 0.166 13 0 "[ . 1 . 2 ]" 1 9 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 10 ALA 0.039 0.033 18 0 "[ . 1 . 2 ]" 1 11 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 12 ILE 1.789 0.166 13 0 "[ . 1 . 2 ]" 1 13 ASP 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 14 VAL 0.067 0.038 6 0 "[ . 1 . 2 ]" 1 15 PHE 0.481 0.066 3 0 "[ . 1 . 2 ]" 1 16 HIS 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 17 GLN 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 18 TYR 0.067 0.038 6 0 "[ . 1 . 2 ]" 1 19 SER 0.481 0.066 3 0 "[ . 1 . 2 ]" 1 28 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 29 LYS 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 30 LYS 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 31 SER 3.252 0.193 11 0 "[ . 1 . 2 ]" 1 32 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 33 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 34 LYS 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 35 GLU 3.259 0.193 11 0 "[ . 1 . 2 ]" 1 36 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 37 ILE 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 38 ASN 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 39 ASN 0.006 0.006 9 0 "[ . 1 . 2 ]" 1 51 GLN 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 52 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 53 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 54 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 55 ASP 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 56 LYS 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 57 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 58 MET 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 59 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 60 THR 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 61 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 62 ASP 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 63 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 69 CYS 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 71 PHE 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 72 GLN 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 73 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 74 PHE 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 75 MET 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 76 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 77 PHE 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 78 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 79 SER 0.085 0.038 7 0 "[ . 1 . 2 ]" 1 80 MET 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 81 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 82 THR 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 83 THR 0.085 0.038 7 0 "[ . 1 . 2 ]" 1 84 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]" 2 2 SER 19.332 1.583 1 10 "[+ **.* *** -. ** ]" 2 3 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]" 2 4 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]" 2 5 GLU 19.310 1.583 1 10 "[+ **.* *** -. ** ]" 2 6 LYS 0.062 0.034 18 0 "[ . 1 . 2 ]" 2 7 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]" 2 8 MET 1.795 0.166 13 0 "[ . 1 . 2 ]" 2 9 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]" 2 10 ALA 0.039 0.034 18 0 "[ . 1 . 2 ]" 2 11 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]" 2 12 ILE 1.795 0.166 13 0 "[ . 1 . 2 ]" 2 13 ASP 0.000 0.000 . 0 "[ . 1 . 2 ]" 2 14 VAL 0.068 0.038 6 0 "[ . 1 . 2 ]" 2 15 PHE 0.484 0.066 3 0 "[ . 1 . 2 ]" 2 16 HIS 0.000 0.000 . 0 "[ . 1 . 2 ]" 2 17 GLN 0.000 0.000 . 0 "[ . 1 . 2 ]" 2 18 TYR 0.068 0.038 6 0 "[ . 1 . 2 ]" 2 19 SER 0.484 0.066 3 0 "[ . 1 . 2 ]" 2 28 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]" 2 29 LYS 0.000 0.000 . 0 "[ . 1 . 2 ]" 2 30 LYS 0.000 0.000 . 0 "[ . 1 . 2 ]" 2 31 SER 3.248 0.192 11 0 "[ . 1 . 2 ]" 2 32 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]" 2 33 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]" 2 34 LYS 0.000 0.000 . 0 "[ . 1 . 2 ]" 2 35 GLU 3.255 0.192 11 0 "[ . 1 . 2 ]" 2 36 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]" 2 37 ILE 0.000 0.000 . 0 "[ . 1 . 2 ]" 2 38 ASN 0.000 0.000 . 0 "[ . 1 . 2 ]" 2 39 ASN 0.007 0.007 9 0 "[ . 1 . 2 ]" 2 51 GLN 0.000 0.000 . 0 "[ . 1 . 2 ]" 2 52 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]" 2 53 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]" 2 54 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]" 2 55 ASP 0.000 0.000 . 0 "[ . 1 . 2 ]" 2 56 LYS 0.000 0.000 . 0 "[ . 1 . 2 ]" 2 57 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]" 2 58 MET 0.000 0.000 . 0 "[ . 1 . 2 ]" 2 59 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]" 2 60 THR 0.000 0.000 . 0 "[ . 1 . 2 ]" 2 61 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]" 2 62 ASP 0.000 0.000 . 0 "[ . 1 . 2 ]" 2 63 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]" 2 69 CYS 0.000 0.000 . 0 "[ . 1 . 2 ]" 2 71 PHE 0.000 0.000 . 0 "[ . 1 . 2 ]" 2 72 GLN 0.000 0.000 . 0 "[ . 1 . 2 ]" 2 73 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]" 2 74 PHE 0.000 0.000 . 0 "[ . 1 . 2 ]" 2 75 MET 0.000 0.000 . 0 "[ . 1 . 2 ]" 2 76 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]" 2 77 PHE 0.000 0.000 . 0 "[ . 1 . 2 ]" 2 78 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]" 2 79 SER 0.085 0.037 7 0 "[ . 1 . 2 ]" 2 80 MET 0.000 0.000 . 0 "[ . 1 . 2 ]" 2 81 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]" 2 82 THR 0.000 0.000 . 0 "[ . 1 . 2 ]" 2 83 THR 0.085 0.037 7 0 "[ . 1 . 2 ]" 2 84 ALA 0.000 0.000 . 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 2 SER O 1 6 LYS H 1.500 . 2.800 2.342 2.049 2.581 . 0 0 "[ . 1 . 2 ]" 2 2 2 2 SER O 2 6 LYS H 1.500 . 2.800 2.342 2.050 2.581 . 0 0 "[ . 1 . 2 ]" 2 3 1 2 SER O 1 6 LYS N 2.400 2.400 3.500 3.310 3.030 3.522 0.022 10 0 "[ . 1 . 2 ]" 2 4 2 2 SER O 2 6 LYS N 2.400 2.400 3.500 3.310 3.030 3.523 0.023 10 0 "[ . 1 . 2 ]" 2 5 1 3 GLU O 1 7 ALA H 1.500 . 2.800 2.387 2.183 2.581 . 0 0 "[ . 1 . 2 ]" 2 6 2 3 GLU O 2 7 ALA H 1.500 . 2.800 2.387 2.183 2.581 . 0 0 "[ . 1 . 2 ]" 2 7 1 3 GLU O 1 7 ALA N 2.400 2.400 3.500 3.281 3.085 3.464 . 0 0 "[ . 1 . 2 ]" 2 8 2 3 GLU O 2 7 ALA N 2.400 2.400 3.500 3.281 3.086 3.464 . 0 0 "[ . 1 . 2 ]" 2 9 1 4 LEU O 1 8 MET H 1.500 . 2.800 1.966 1.758 2.127 . 0 0 "[ . 1 . 2 ]" 2 10 2 4 LEU O 2 8 MET H 1.500 . 2.800 1.966 1.760 2.127 . 0 0 "[ . 1 . 2 ]" 2 11 1 4 LEU O 1 8 MET N 2.400 2.400 3.500 2.832 2.695 2.983 . 0 0 "[ . 1 . 2 ]" 2 12 2 4 LEU O 2 8 MET N 2.400 2.400 3.500 2.832 2.697 2.983 . 0 0 "[ . 1 . 2 ]" 2 13 1 5 GLU O 1 9 VAL H 1.500 . 2.800 2.132 1.960 2.260 . 0 0 "[ . 1 . 2 ]" 2 14 2 5 GLU O 2 9 VAL H 1.500 . 2.800 2.132 1.959 2.259 . 0 0 "[ . 1 . 2 ]" 2 15 1 5 GLU O 1 9 VAL N 2.400 2.400 3.500 3.097 2.938 3.212 . 0 0 "[ . 1 . 2 ]" 2 16 2 5 GLU O 2 9 VAL N 2.400 2.400 3.500 3.097 2.938 3.212 . 0 0 "[ . 1 . 2 ]" 2 17 1 6 LYS O 1 10 ALA H 1.500 . 2.800 2.322 2.090 2.662 . 0 0 "[ . 1 . 2 ]" 2 18 2 6 LYS O 2 10 ALA H 1.500 . 2.800 2.322 2.091 2.662 . 0 0 "[ . 1 . 2 ]" 2 19 1 6 LYS O 1 10 ALA N 2.400 2.400 3.500 3.188 2.979 3.533 0.033 18 0 "[ . 1 . 2 ]" 2 20 2 6 LYS O 2 10 ALA N 2.400 2.400 3.500 3.188 2.979 3.534 0.034 18 0 "[ . 1 . 2 ]" 2 21 1 7 ALA O 1 11 LEU H 1.500 . 2.800 2.035 1.879 2.319 . 0 0 "[ . 1 . 2 ]" 2 22 2 7 ALA O 2 11 LEU H 1.500 . 2.800 2.035 1.878 2.319 . 0 0 "[ . 1 . 2 ]" 2 23 1 7 ALA O 1 11 LEU N 2.400 2.400 3.500 3.002 2.843 3.289 . 0 0 "[ . 1 . 2 ]" 2 24 2 7 ALA O 2 11 LEU N 2.400 2.400 3.500 3.003 2.842 3.290 . 0 0 "[ . 1 . 2 ]" 2 25 1 8 MET O 1 12 ILE H 1.500 . 2.800 2.647 2.508 2.761 . 0 0 "[ . 1 . 2 ]" 2 26 2 8 MET O 2 12 ILE H 1.500 . 2.800 2.647 2.508 2.760 . 0 0 "[ . 1 . 2 ]" 2 27 1 8 MET O 1 12 ILE N 2.400 2.400 3.500 3.584 3.488 3.666 0.166 13 0 "[ . 1 . 2 ]" 2 28 2 8 MET O 2 12 ILE N 2.400 2.400 3.500 3.585 3.488 3.666 0.166 13 0 "[ . 1 . 2 ]" 2 29 1 9 VAL O 1 13 ASP H 1.500 . 2.800 2.174 1.917 2.401 . 0 0 "[ . 1 . 2 ]" 2 30 2 9 VAL O 2 13 ASP H 1.500 . 2.800 2.174 1.916 2.401 . 0 0 "[ . 1 . 2 ]" 2 31 1 9 VAL O 1 13 ASP N 2.400 2.400 3.500 3.097 2.873 3.294 . 0 0 "[ . 1 . 2 ]" 2 32 2 9 VAL O 2 13 ASP N 2.400 2.400 3.500 3.097 2.871 3.294 . 0 0 "[ . 1 . 2 ]" 2 33 1 10 ALA O 1 14 VAL H 1.500 . 2.800 2.072 1.875 2.247 . 0 0 "[ . 1 . 2 ]" 2 34 2 10 ALA O 2 14 VAL H 1.500 . 2.800 2.072 1.876 2.246 . 0 0 "[ . 1 . 2 ]" 2 35 1 10 ALA O 1 14 VAL N 2.400 2.400 3.500 2.999 2.829 3.145 . 0 0 "[ . 1 . 2 ]" 2 36 2 10 ALA O 2 14 VAL N 2.400 2.400 3.500 2.999 2.829 3.144 . 0 0 "[ . 1 . 2 ]" 2 37 1 11 LEU O 1 15 PHE H 1.500 . 2.800 1.940 1.815 2.179 . 0 0 "[ . 1 . 2 ]" 2 38 2 11 LEU O 2 15 PHE H 1.500 . 2.800 1.940 1.815 2.179 . 0 0 "[ . 1 . 2 ]" 2 39 1 11 LEU O 1 15 PHE N 2.400 2.400 3.500 2.896 2.759 3.126 . 0 0 "[ . 1 . 2 ]" 2 40 2 11 LEU O 2 15 PHE N 2.400 2.400 3.500 2.896 2.760 3.125 . 0 0 "[ . 1 . 2 ]" 2 41 1 12 ILE O 1 16 HIS H 1.500 . 2.800 2.132 1.736 2.574 . 0 0 "[ . 1 . 2 ]" 2 42 2 12 ILE O 2 16 HIS H 1.500 . 2.800 2.132 1.735 2.574 . 0 0 "[ . 1 . 2 ]" 2 43 1 12 ILE O 1 16 HIS N 2.400 2.400 3.500 3.019 2.671 3.435 . 0 0 "[ . 1 . 2 ]" 2 44 2 12 ILE O 2 16 HIS N 2.400 2.400 3.500 3.019 2.671 3.434 . 0 0 "[ . 1 . 2 ]" 2 45 1 13 ASP O 1 17 GLN H 1.500 . 2.800 2.210 1.939 2.406 . 0 0 "[ . 1 . 2 ]" 2 46 2 13 ASP O 2 17 GLN H 1.500 . 2.800 2.210 1.939 2.406 . 0 0 "[ . 1 . 2 ]" 2 47 1 13 ASP O 1 17 GLN N 2.400 2.400 3.500 3.018 2.768 3.197 . 0 0 "[ . 1 . 2 ]" 2 48 2 13 ASP O 2 17 GLN N 2.400 2.400 3.500 3.018 2.769 3.197 . 0 0 "[ . 1 . 2 ]" 2 49 1 14 VAL O 1 18 TYR H 1.500 . 2.800 2.527 2.452 2.613 . 0 0 "[ . 1 . 2 ]" 2 50 2 14 VAL O 2 18 TYR H 1.500 . 2.800 2.527 2.452 2.613 . 0 0 "[ . 1 . 2 ]" 2 51 1 14 VAL O 1 18 TYR N 2.400 2.400 3.500 3.454 3.379 3.538 0.038 6 0 "[ . 1 . 2 ]" 2 52 2 14 VAL O 2 18 TYR N 2.400 2.400 3.500 3.454 3.379 3.538 0.038 6 0 "[ . 1 . 2 ]" 2 53 1 15 PHE O 1 19 SER H 1.500 . 2.800 2.559 2.422 2.617 . 0 0 "[ . 1 . 2 ]" 2 54 2 15 PHE O 2 19 SER H 1.500 . 2.800 2.559 2.422 2.616 . 0 0 "[ . 1 . 2 ]" 2 55 1 15 PHE O 1 19 SER N 2.400 2.400 3.500 3.515 3.379 3.566 0.066 3 0 "[ . 1 . 2 ]" 2 56 2 15 PHE O 2 19 SER N 2.400 2.400 3.500 3.515 3.380 3.566 0.066 3 0 "[ . 1 . 2 ]" 2 57 1 28 LEU O 1 69 CYS H 1.500 . 2.800 1.764 1.659 1.868 . 0 0 "[ . 1 . 2 ]" 2 58 2 28 LEU O 2 69 CYS H 1.500 . 2.800 1.764 1.660 1.868 . 0 0 "[ . 1 . 2 ]" 2 59 1 28 LEU O 1 69 CYS N 2.400 2.400 3.500 2.563 2.418 2.689 . 0 0 "[ . 1 . 2 ]" 2 60 2 28 LEU O 2 69 CYS N 2.400 2.400 3.500 2.564 2.418 2.688 . 0 0 "[ . 1 . 2 ]" 2 61 1 28 LEU H 1 69 CYS O 1.500 . 2.800 1.736 1.571 2.008 . 0 0 "[ . 1 . 2 ]" 2 62 2 28 LEU H 2 69 CYS O 1.500 . 2.800 1.736 1.570 2.008 . 0 0 "[ . 1 . 2 ]" 2 63 1 28 LEU N 1 69 CYS O 2.400 2.400 3.500 2.645 2.477 2.883 . 0 0 "[ . 1 . 2 ]" 2 64 2 28 LEU N 2 69 CYS O 2.400 2.400 3.500 2.645 2.477 2.883 . 0 0 "[ . 1 . 2 ]" 2 65 1 29 LYS O 1 33 LEU H 1.500 . 2.800 1.981 1.640 2.143 . 0 0 "[ . 1 . 2 ]" 2 66 2 29 LYS O 2 33 LEU H 1.500 . 2.800 1.982 1.640 2.142 . 0 0 "[ . 1 . 2 ]" 2 67 1 29 LYS O 1 33 LEU N 2.400 2.400 3.500 2.916 2.598 3.068 . 0 0 "[ . 1 . 2 ]" 2 68 2 29 LYS O 2 33 LEU N 2.400 2.400 3.500 2.916 2.596 3.068 . 0 0 "[ . 1 . 2 ]" 2 69 1 30 LYS O 1 34 LYS H 1.500 . 2.800 1.892 1.719 1.986 . 0 0 "[ . 1 . 2 ]" 2 70 2 30 LYS O 2 34 LYS H 1.500 . 2.800 1.892 1.721 1.985 . 0 0 "[ . 1 . 2 ]" 2 71 1 30 LYS O 1 34 LYS N 2.400 2.400 3.500 2.850 2.689 2.935 . 0 0 "[ . 1 . 2 ]" 2 72 2 30 LYS O 2 34 LYS N 2.400 2.400 3.500 2.850 2.690 2.934 . 0 0 "[ . 1 . 2 ]" 2 73 1 31 SER O 1 35 GLU H 1.500 . 2.800 2.674 2.625 2.715 . 0 0 "[ . 1 . 2 ]" 2 74 2 31 SER O 2 35 GLU H 1.500 . 2.800 2.674 2.625 2.715 . 0 0 "[ . 1 . 2 ]" 2 75 1 31 SER O 1 35 GLU N 2.400 2.400 3.500 3.655 3.604 3.693 0.193 11 0 "[ . 1 . 2 ]" 2 76 2 31 SER O 2 35 GLU N 2.400 2.400 3.500 3.655 3.604 3.692 0.192 11 0 "[ . 1 . 2 ]" 2 77 1 32 GLU O 1 36 LEU H 1.500 . 2.800 2.315 2.075 2.578 . 0 0 "[ . 1 . 2 ]" 2 78 2 32 GLU O 2 36 LEU H 1.500 . 2.800 2.315 2.075 2.578 . 0 0 "[ . 1 . 2 ]" 2 79 1 32 GLU O 1 36 LEU N 2.400 2.400 3.500 3.191 2.981 3.422 . 0 0 "[ . 1 . 2 ]" 2 80 2 32 GLU O 2 36 LEU N 2.400 2.400 3.500 3.191 2.983 3.422 . 0 0 "[ . 1 . 2 ]" 2 81 1 33 LEU O 1 37 ILE H 1.500 . 2.800 2.048 1.759 2.250 . 0 0 "[ . 1 . 2 ]" 2 82 2 33 LEU O 2 37 ILE H 1.500 . 2.800 2.048 1.760 2.249 . 0 0 "[ . 1 . 2 ]" 2 83 1 33 LEU O 1 37 ILE N 2.400 2.400 3.500 2.951 2.658 3.160 . 0 0 "[ . 1 . 2 ]" 2 84 2 33 LEU O 2 37 ILE N 2.400 2.400 3.500 2.951 2.659 3.161 . 0 0 "[ . 1 . 2 ]" 2 85 1 34 LYS O 1 38 ASN H 1.500 . 2.800 2.210 2.076 2.352 . 0 0 "[ . 1 . 2 ]" 2 86 2 34 LYS O 2 38 ASN H 1.500 . 2.800 2.210 2.076 2.352 . 0 0 "[ . 1 . 2 ]" 2 87 1 34 LYS O 1 38 ASN N 2.400 2.400 3.500 3.125 2.995 3.250 . 0 0 "[ . 1 . 2 ]" 2 88 2 34 LYS O 2 38 ASN N 2.400 2.400 3.500 3.125 2.995 3.251 . 0 0 "[ . 1 . 2 ]" 2 89 1 35 GLU O 1 39 ASN H 1.500 . 2.800 2.581 2.408 2.738 . 0 0 "[ . 1 . 2 ]" 2 90 2 35 GLU O 2 39 ASN H 1.500 . 2.800 2.581 2.409 2.738 . 0 0 "[ . 1 . 2 ]" 2 91 1 35 GLU O 1 39 ASN N 2.400 2.400 3.500 3.441 3.336 3.506 0.006 9 0 "[ . 1 . 2 ]" 2 92 2 35 GLU O 2 39 ASN N 2.400 2.400 3.500 3.441 3.336 3.507 0.007 9 0 "[ . 1 . 2 ]" 2 93 1 51 GLN O 1 55 ASP H 1.500 . 2.800 2.151 2.014 2.343 . 0 0 "[ . 1 . 2 ]" 2 94 2 51 GLN O 2 55 ASP H 1.500 . 2.800 2.151 2.014 2.343 . 0 0 "[ . 1 . 2 ]" 2 95 1 51 GLN O 1 55 ASP N 2.400 2.400 3.500 3.020 2.857 3.217 . 0 0 "[ . 1 . 2 ]" 2 96 2 51 GLN O 2 55 ASP N 2.400 2.400 3.500 3.020 2.857 3.219 . 0 0 "[ . 1 . 2 ]" 2 97 1 52 GLU O 1 56 LYS H 1.500 . 2.800 2.358 2.198 2.532 . 0 0 "[ . 1 . 2 ]" 2 98 2 52 GLU O 2 56 LYS H 1.500 . 2.800 2.358 2.198 2.531 . 0 0 "[ . 1 . 2 ]" 2 99 1 52 GLU O 1 56 LYS N 2.400 2.400 3.500 3.279 3.152 3.416 . 0 0 "[ . 1 . 2 ]" 2 100 2 52 GLU O 2 56 LYS N 2.400 2.400 3.500 3.279 3.152 3.416 . 0 0 "[ . 1 . 2 ]" 2 101 1 53 VAL O 1 57 VAL H 1.500 . 2.800 2.399 2.307 2.568 . 0 0 "[ . 1 . 2 ]" 2 102 2 53 VAL O 2 57 VAL H 1.500 . 2.800 2.399 2.307 2.568 . 0 0 "[ . 1 . 2 ]" 2 103 1 53 VAL O 1 57 VAL N 2.400 2.400 3.500 3.235 3.150 3.403 . 0 0 "[ . 1 . 2 ]" 2 104 2 53 VAL O 2 57 VAL N 2.400 2.400 3.500 3.235 3.150 3.403 . 0 0 "[ . 1 . 2 ]" 2 105 1 54 VAL O 1 58 MET H 1.500 . 2.800 2.201 2.101 2.327 . 0 0 "[ . 1 . 2 ]" 2 106 2 54 VAL O 2 58 MET H 1.500 . 2.800 2.201 2.101 2.327 . 0 0 "[ . 1 . 2 ]" 2 107 1 54 VAL O 1 58 MET N 2.400 2.400 3.500 3.166 3.068 3.282 . 0 0 "[ . 1 . 2 ]" 2 108 2 54 VAL O 2 58 MET N 2.400 2.400 3.500 3.166 3.068 3.282 . 0 0 "[ . 1 . 2 ]" 2 109 1 55 ASP O 1 59 GLU H 1.500 . 2.800 2.508 2.381 2.682 . 0 0 "[ . 1 . 2 ]" 2 110 2 55 ASP O 2 59 GLU H 1.500 . 2.800 2.508 2.381 2.682 . 0 0 "[ . 1 . 2 ]" 2 111 1 55 ASP O 1 59 GLU N 2.400 2.400 3.500 3.293 3.196 3.445 . 0 0 "[ . 1 . 2 ]" 2 112 2 55 ASP O 2 59 GLU N 2.400 2.400 3.500 3.293 3.196 3.445 . 0 0 "[ . 1 . 2 ]" 2 113 1 56 LYS O 1 60 THR H 1.500 . 2.800 1.757 1.516 1.928 . 0 0 "[ . 1 . 2 ]" 2 114 2 56 LYS O 2 60 THR H 1.500 . 2.800 1.757 1.516 1.928 . 0 0 "[ . 1 . 2 ]" 2 115 1 56 LYS O 1 60 THR N 2.400 2.400 3.500 2.638 2.437 2.795 . 0 0 "[ . 1 . 2 ]" 2 116 2 56 LYS O 2 60 THR N 2.400 2.400 3.500 2.638 2.437 2.795 . 0 0 "[ . 1 . 2 ]" 2 117 1 57 VAL O 1 61 LEU H 1.500 . 2.800 1.809 1.591 1.973 . 0 0 "[ . 1 . 2 ]" 2 118 2 57 VAL O 2 61 LEU H 1.500 . 2.800 1.809 1.591 1.973 . 0 0 "[ . 1 . 2 ]" 2 119 1 57 VAL O 1 61 LEU N 2.400 2.400 3.500 2.782 2.570 2.940 . 0 0 "[ . 1 . 2 ]" 2 120 2 57 VAL O 2 61 LEU N 2.400 2.400 3.500 2.782 2.570 2.941 . 0 0 "[ . 1 . 2 ]" 2 121 1 58 MET O 1 62 ASP H 1.500 . 2.800 2.297 2.188 2.407 . 0 0 "[ . 1 . 2 ]" 2 122 2 58 MET O 2 62 ASP H 1.500 . 2.800 2.297 2.188 2.408 . 0 0 "[ . 1 . 2 ]" 2 123 1 58 MET O 1 62 ASP N 2.400 2.400 3.500 3.204 3.070 3.310 . 0 0 "[ . 1 . 2 ]" 2 124 2 58 MET O 2 62 ASP N 2.400 2.400 3.500 3.204 3.069 3.311 . 0 0 "[ . 1 . 2 ]" 2 125 1 59 GLU O 1 63 GLU H 1.500 . 2.800 2.285 2.142 2.444 . 0 0 "[ . 1 . 2 ]" 2 126 2 59 GLU O 2 63 GLU H 1.500 . 2.800 2.286 2.142 2.444 . 0 0 "[ . 1 . 2 ]" 2 127 1 59 GLU O 1 63 GLU N 2.400 2.400 3.500 2.915 2.808 3.040 . 0 0 "[ . 1 . 2 ]" 2 128 2 59 GLU O 2 63 GLU N 2.400 2.400 3.500 2.918 2.811 3.040 . 0 0 "[ . 1 . 2 ]" 2 129 1 71 PHE O 1 75 MET H 1.500 . 2.800 2.104 1.969 2.399 . 0 0 "[ . 1 . 2 ]" 2 130 2 71 PHE O 2 75 MET H 1.500 . 2.800 2.104 1.968 2.399 . 0 0 "[ . 1 . 2 ]" 2 131 1 71 PHE O 1 75 MET N 2.400 2.400 3.500 3.025 2.890 3.305 . 0 0 "[ . 1 . 2 ]" 2 132 2 71 PHE O 2 75 MET N 2.400 2.400 3.500 3.025 2.891 3.305 . 0 0 "[ . 1 . 2 ]" 2 133 1 72 GLN O 1 76 ALA H 1.500 . 2.800 2.314 2.149 2.551 . 0 0 "[ . 1 . 2 ]" 2 134 2 72 GLN O 2 76 ALA H 1.500 . 2.800 2.314 2.149 2.551 . 0 0 "[ . 1 . 2 ]" 2 135 1 72 GLN O 1 76 ALA N 2.400 2.400 3.500 3.252 3.072 3.391 . 0 0 "[ . 1 . 2 ]" 2 136 2 72 GLN O 2 76 ALA N 2.400 2.400 3.500 3.252 3.072 3.392 . 0 0 "[ . 1 . 2 ]" 2 137 1 73 GLU O 1 77 PHE H 1.500 . 2.800 2.151 2.011 2.351 . 0 0 "[ . 1 . 2 ]" 2 138 2 73 GLU O 2 77 PHE H 1.500 . 2.800 2.151 2.011 2.351 . 0 0 "[ . 1 . 2 ]" 2 139 1 73 GLU O 1 77 PHE N 2.400 2.400 3.500 3.084 2.957 3.272 . 0 0 "[ . 1 . 2 ]" 2 140 2 73 GLU O 2 77 PHE N 2.400 2.400 3.500 3.084 2.957 3.274 . 0 0 "[ . 1 . 2 ]" 2 141 1 74 PHE O 1 78 VAL H 1.500 . 2.800 2.073 1.868 2.244 . 0 0 "[ . 1 . 2 ]" 2 142 2 74 PHE O 2 78 VAL H 1.500 . 2.800 2.074 1.867 2.245 . 0 0 "[ . 1 . 2 ]" 2 143 1 74 PHE O 1 78 VAL N 2.400 2.400 3.500 2.943 2.773 3.106 . 0 0 "[ . 1 . 2 ]" 2 144 2 74 PHE O 2 78 VAL N 2.400 2.400 3.500 2.943 2.772 3.106 . 0 0 "[ . 1 . 2 ]" 2 145 1 75 MET O 1 79 SER H 1.500 . 2.800 2.186 1.784 2.644 . 0 0 "[ . 1 . 2 ]" 2 146 2 75 MET O 2 79 SER H 1.500 . 2.800 2.186 1.783 2.644 . 0 0 "[ . 1 . 2 ]" 2 147 1 75 MET O 1 79 SER N 2.400 2.400 3.500 3.037 2.654 3.439 . 0 0 "[ . 1 . 2 ]" 2 148 2 75 MET O 2 79 SER N 2.400 2.400 3.500 3.037 2.653 3.438 . 0 0 "[ . 1 . 2 ]" 2 149 1 76 ALA O 1 80 MET H 1.500 . 2.800 2.188 1.965 2.314 . 0 0 "[ . 1 . 2 ]" 2 150 2 76 ALA O 2 80 MET H 1.500 . 2.800 2.187 1.965 2.313 . 0 0 "[ . 1 . 2 ]" 2 151 1 76 ALA O 1 80 MET N 2.400 2.400 3.500 3.154 2.939 3.288 . 0 0 "[ . 1 . 2 ]" 2 152 2 76 ALA O 2 80 MET N 2.400 2.400 3.500 3.154 2.939 3.288 . 0 0 "[ . 1 . 2 ]" 2 153 1 77 PHE O 1 81 VAL H 1.500 . 2.800 2.386 2.227 2.523 . 0 0 "[ . 1 . 2 ]" 2 154 2 77 PHE O 2 81 VAL H 1.500 . 2.800 2.386 2.228 2.523 . 0 0 "[ . 1 . 2 ]" 2 155 1 77 PHE O 1 81 VAL N 2.400 2.400 3.500 3.328 3.179 3.464 . 0 0 "[ . 1 . 2 ]" 2 156 2 77 PHE O 2 81 VAL N 2.400 2.400 3.500 3.328 3.179 3.464 . 0 0 "[ . 1 . 2 ]" 2 157 1 78 VAL O 1 82 THR H 1.500 . 2.800 2.184 1.970 2.324 . 0 0 "[ . 1 . 2 ]" 2 158 2 78 VAL O 2 82 THR H 1.500 . 2.800 2.184 1.969 2.324 . 0 0 "[ . 1 . 2 ]" 2 159 1 78 VAL O 1 82 THR N 2.400 2.400 3.500 3.125 2.928 3.251 . 0 0 "[ . 1 . 2 ]" 2 160 2 78 VAL O 2 82 THR N 2.400 2.400 3.500 3.126 2.928 3.251 . 0 0 "[ . 1 . 2 ]" 2 161 1 79 SER O 1 83 THR H 1.500 . 2.800 1.616 1.462 1.781 0.038 7 0 "[ . 1 . 2 ]" 2 162 2 79 SER O 2 83 THR H 1.500 . 2.800 1.616 1.463 1.781 0.037 7 0 "[ . 1 . 2 ]" 2 163 1 79 SER O 1 83 THR N 2.400 2.400 3.500 2.577 2.410 2.760 . 0 0 "[ . 1 . 2 ]" 2 164 2 79 SER O 2 83 THR N 2.400 2.400 3.500 2.576 2.409 2.761 . 0 0 "[ . 1 . 2 ]" 2 165 1 80 MET O 1 84 ALA H 1.500 . 2.800 2.078 1.650 2.541 . 0 0 "[ . 1 . 2 ]" 2 166 2 80 MET O 2 84 ALA H 1.500 . 2.800 2.078 1.649 2.541 . 0 0 "[ . 1 . 2 ]" 2 167 1 80 MET O 1 84 ALA N 2.400 2.400 3.500 2.756 2.405 3.212 . 0 0 "[ . 1 . 2 ]" 2 168 2 80 MET O 2 84 ALA N 2.400 2.400 3.500 2.756 2.405 3.211 . 0 0 "[ . 1 . 2 ]" 2 169 1 2 SER OG 1 5 GLU H 1.500 . 2.800 2.499 2.193 2.616 . 0 0 "[ . 1 . 2 ]" 2 170 2 2 SER OG 2 5 GLU H 1.500 . 2.800 2.500 2.196 2.617 . 0 0 "[ . 1 . 2 ]" 2 171 1 2 SER OG 1 5 GLU N 2.400 2.400 3.500 3.461 3.173 3.555 0.055 13 0 "[ . 1 . 2 ]" 2 172 2 2 SER OG 2 5 GLU N 2.400 2.400 3.500 3.462 3.176 3.557 0.057 13 0 "[ . 1 . 2 ]" 2 173 1 2 SER H 1 5 GLU OE1 1.500 . 2.800 2.923 1.524 4.384 1.584 1 10 "[+ **.* *** -. ** ]" 2 174 2 2 SER H 2 5 GLU OE1 1.500 . 2.800 2.923 1.524 4.383 1.583 1 10 "[+ **.* *** -. ** ]" 2 175 1 2 SER N 1 5 GLU OE1 2.400 2.400 3.500 3.666 2.418 4.923 1.423 1 10 "[+ **.* *** -. ** ]" 2 176 2 2 SER N 2 5 GLU OE1 2.400 2.400 3.500 3.665 2.418 4.921 1.421 1 10 "[+ **.* *** -. ** ]" 2 stop_ save_
Contact the webmaster for help, if required. Saturday, May 4, 2024 12:51:47 PM GMT (wattos1)