NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
450859 | 2rn7 | 11017 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2rn7 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 360 _Distance_constraint_stats_list.Viol_count 162 _Distance_constraint_stats_list.Viol_total 108.028 _Distance_constraint_stats_list.Viol_max 0.084 _Distance_constraint_stats_list.Viol_rms 0.0059 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0008 _Distance_constraint_stats_list.Viol_average_violations_only 0.0333 _Distance_constraint_stats_list.Cutoff_violation_report 0.500 _Distance_constraint_stats_list.Details ; Description of the tags in this list: * 1 * Administrative tag * 2 * Administrative tag * 3 * Administrative tag * 4 * ID of the restraint list. * 5 * Number of restraints in list. * 6 * Number of violated restraints (each model violation is used). * 7 * Sum of violations in Angstrom. * 8 * Maximum violation of a restraint without averaging in any way. * 9 * Rms of violations over all restraints. * 10 * Average violation over all restraints. * 11 * Average violation over violated restraints. This violation is averaged over only those models in which the restraint is violated. These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998). * 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table. * 13 * This tag Description of the tags in the per residue table below: * 1 * Chain identifier (can be absent if none defined) * 2 * Residue number * 3 * Residue name * 4 * Maximum violation in ensemble of models (without any averaging) * 5 * Model number with the maximum violation * 6 * Number of models with a violation above cutoff * 7 * List of models (1 character per model) with a violation above cutoff. An '*' marks a violation above the cutoff. A '+' indicates the largest violation above the cutoff and a '-' marks the smallest violation over cutoff. For models 5, 15, 25,... a ' ' is replaced by a '.'. For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1. * 8 * Administrative tag * 9 * Administrative tag Description of the tags in the per restraint table below: * 1 * Restraint ID within restraint list. First node, FIRST member, first atom's: * 2 * Chain identifier (can be absent if none defined) * 3 * Residue number * 4 * Residue name * 5 * Name of (pseudo-)atom First node, SECOND member, first atom's: * 6 * Chain identifier (can be absent if none defined) * 7 * Residue number * 8 * Residue name * 9 * Name of (pseudo-)atom FIRST node's: * 10 * Target distance value (Angstrom) * 11 * Lower bound distance (Angstrom) * 12 * Upper bound distance (Angstrom) * 13 * Average distance in ensemble of models * 14 * Minimum distance in ensemble of models * 15 * Maximum distance in ensemble of models * 16 * Maximum violation (without any averaging) * 17 * Model number with the maximum violation * 18 * Number of models with a violation above cutoff * 19 * List of models with a violation above cutoff. See description above. * 20 * Administrative tag * 21 * Administrative tag ; loop_ _Distance_constraint_stats_per_res.Atom_entity_assembly_ID _Distance_constraint_stats_per_res.Atom_comp_index_ID _Distance_constraint_stats_per_res.Atom_comp_ID _Distance_constraint_stats_per_res.Total_violation _Distance_constraint_stats_per_res.Max_violation _Distance_constraint_stats_per_res.Max_violation_model_number _Distance_constraint_stats_per_res.Over_cutoff_viol_count _Distance_constraint_stats_per_res.Over_cutoff_viol_per_model 1 7 PHE 0.109 0.044 2 0 "[ . 1 . 2]" 1 8 SER 0.079 0.027 4 0 "[ . 1 . 2]" 1 9 PRO 0.027 0.027 4 0 "[ . 1 . 2]" 1 10 GLU 0.000 0.000 . 0 "[ . 1 . 2]" 1 11 VAL 0.150 0.044 2 0 "[ . 1 . 2]" 1 12 ARG 0.198 0.043 5 0 "[ . 1 . 2]" 1 13 GLN 0.000 0.000 . 0 "[ . 1 . 2]" 1 14 ARG 0.150 0.084 17 0 "[ . 1 . 2]" 1 15 ALA 1.295 0.084 17 0 "[ . 1 . 2]" 1 16 VAL 1.122 0.064 14 0 "[ . 1 . 2]" 1 17 ARG 0.051 0.051 16 0 "[ . 1 . 2]" 1 18 MET 0.262 0.073 12 0 "[ . 1 . 2]" 1 19 VAL 0.020 0.020 1 0 "[ . 1 . 2]" 1 20 LEU 0.124 0.038 12 0 "[ . 1 . 2]" 1 21 GLU 0.000 0.000 . 0 "[ . 1 . 2]" 1 22 SER 0.128 0.037 17 0 "[ . 1 . 2]" 1 23 GLN 0.080 0.030 15 0 "[ . 1 . 2]" 1 24 GLY 0.040 0.032 9 0 "[ . 1 . 2]" 1 25 GLU 0.040 0.032 9 0 "[ . 1 . 2]" 1 26 TYR 0.148 0.070 13 0 "[ . 1 . 2]" 1 27 ASP 0.198 0.080 1 0 "[ . 1 . 2]" 1 28 SER 0.029 0.029 2 0 "[ . 1 . 2]" 1 29 GLN 0.409 0.076 5 0 "[ . 1 . 2]" 1 30 TRP 0.000 0.000 . 0 "[ . 1 . 2]" 1 31 ALA 0.198 0.080 1 0 "[ . 1 . 2]" 1 32 THR 0.409 0.076 5 0 "[ . 1 . 2]" 1 33 ILE 0.454 0.081 6 0 "[ . 1 . 2]" 1 34 CYS 0.012 0.012 18 0 "[ . 1 . 2]" 1 35 SER 0.087 0.070 13 0 "[ . 1 . 2]" 1 36 ILE 0.495 0.073 19 0 "[ . 1 . 2]" 1 37 ALA 0.522 0.084 10 0 "[ . 1 . 2]" 1 38 PRO 0.843 0.084 10 0 "[ . 1 . 2]" 1 39 LYS 0.111 0.050 5 0 "[ . 1 . 2]" 1 40 ILE 0.029 0.015 15 0 "[ . 1 . 2]" 1 41 GLY 0.000 0.000 . 0 "[ . 1 . 2]" 1 42 CYS 0.161 0.042 17 0 "[ . 1 . 2]" 1 43 THR 0.014 0.014 5 0 "[ . 1 . 2]" 1 44 PRO 0.033 0.020 2 0 "[ . 1 . 2]" 1 45 GLU 0.000 0.000 . 0 "[ . 1 . 2]" 1 46 THR 0.014 0.014 5 0 "[ . 1 . 2]" 1 47 LEU 0.370 0.055 16 0 "[ . 1 . 2]" 1 48 ARG 0.266 0.081 6 0 "[ . 1 . 2]" 1 49 VAL 0.000 0.000 . 0 "[ . 1 . 2]" 1 50 TRP 0.407 0.043 5 0 "[ . 1 . 2]" 1 51 VAL 0.236 0.055 16 0 "[ . 1 . 2]" 1 52 ARG 0.002 0.002 9 0 "[ . 1 . 2]" 1 53 GLN 0.138 0.054 3 0 "[ . 1 . 2]" 1 54 HIS 0.478 0.070 11 0 "[ . 1 . 2]" 1 55 GLU 0.319 0.052 18 0 "[ . 1 . 2]" 1 56 ARG 0.138 0.054 3 0 "[ . 1 . 2]" 1 57 ASP 0.307 0.070 11 0 "[ . 1 . 2]" 1 58 THR 0.000 0.000 . 0 "[ . 1 . 2]" 1 59 GLY 0.101 0.054 8 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 7 PHE QB 1 11 VAL MG1 1.800 . 5.000 4.036 2.642 5.044 0.044 2 0 "[ . 1 . 2]" 1 2 1 7 PHE QD 1 11 VAL MG1 1.800 . 5.000 3.955 2.429 4.957 . 0 0 "[ . 1 . 2]" 1 3 1 7 PHE QD 1 8 SER H 1.800 . 5.000 4.059 3.370 4.837 . 0 0 "[ . 1 . 2]" 1 4 1 7 PHE QE 1 50 TRP HZ2 1.800 . 5.000 3.714 2.691 5.007 0.007 15 0 "[ . 1 . 2]" 1 5 1 8 SER HA 1 9 PRO QD 1.800 . 3.800 1.944 1.773 2.068 0.027 4 0 "[ . 1 . 2]" 1 6 1 8 SER QB 1 10 GLU H 1.800 . 5.000 3.092 2.581 3.755 . 0 0 "[ . 1 . 2]" 1 7 1 8 SER QB 1 11 VAL MG2 1.800 . 5.000 2.156 1.785 3.257 0.015 17 0 "[ . 1 . 2]" 1 8 1 8 SER QB 1 9 PRO QD 1.800 . 5.000 2.722 2.076 3.380 . 0 0 "[ . 1 . 2]" 1 9 1 8 SER H 1 11 VAL HB 1.800 . 5.000 3.686 2.932 4.612 . 0 0 "[ . 1 . 2]" 1 10 1 8 SER H 1 11 VAL MG2 1.800 . 5.000 3.188 2.167 4.272 . 0 0 "[ . 1 . 2]" 1 11 1 9 PRO HA 1 12 ARG QB 1.800 . 5.000 2.941 2.359 3.986 . 0 0 "[ . 1 . 2]" 1 12 1 9 PRO HA 1 12 ARG H 1.800 . 5.000 3.558 3.193 4.050 . 0 0 "[ . 1 . 2]" 1 13 1 9 PRO QD 1 10 GLU H 1.800 . 5.000 2.895 2.434 3.178 . 0 0 "[ . 1 . 2]" 1 14 1 10 GLU HA 1 11 VAL H 1.800 . 3.800 3.516 3.373 3.569 . 0 0 "[ . 1 . 2]" 1 15 1 10 GLU HA 1 13 GLN QB 1.800 . 5.000 2.846 2.284 3.526 . 0 0 "[ . 1 . 2]" 1 16 1 10 GLU HA 1 13 GLN H 1.800 . 5.000 3.549 3.065 4.210 . 0 0 "[ . 1 . 2]" 1 17 1 10 GLU QB 1 11 VAL MG2 1.800 . 5.000 3.233 2.768 4.615 . 0 0 "[ . 1 . 2]" 1 18 1 10 GLU H 1 11 VAL H 1.800 . 3.500 2.687 2.383 2.976 . 0 0 "[ . 1 . 2]" 1 19 1 11 VAL HA 1 12 ARG H 1.800 . 3.800 3.535 3.494 3.571 . 0 0 "[ . 1 . 2]" 1 20 1 11 VAL HA 1 14 ARG QB 1.800 . 5.000 2.660 2.232 3.275 . 0 0 "[ . 1 . 2]" 1 21 1 11 VAL HA 1 14 ARG H 1.800 . 5.000 3.530 3.284 3.822 . 0 0 "[ . 1 . 2]" 1 22 1 11 VAL HA 1 15 ALA H 1.800 . 5.000 4.017 3.783 4.259 . 0 0 "[ . 1 . 2]" 1 23 1 11 VAL MG1 1 12 ARG H 1.800 . 5.000 3.453 3.249 3.590 . 0 0 "[ . 1 . 2]" 1 24 1 11 VAL MG1 1 15 ALA H 1.800 . 5.000 3.999 3.611 4.317 . 0 0 "[ . 1 . 2]" 1 25 1 11 VAL MG2 1 12 ARG H 1.800 . 5.000 3.776 3.707 3.902 . 0 0 "[ . 1 . 2]" 1 26 1 11 VAL H 1 11 VAL MG1 1.800 . 5.000 3.772 3.758 3.780 . 0 0 "[ . 1 . 2]" 1 27 1 11 VAL H 1 11 VAL MG2 1.800 . 5.000 2.060 1.936 2.198 . 0 0 "[ . 1 . 2]" 1 28 1 11 VAL H 1 12 ARG H 1.800 . 3.500 2.640 2.508 2.796 . 0 0 "[ . 1 . 2]" 1 29 1 11 VAL H 1 13 GLN H 1.800 . 5.000 4.163 3.913 4.505 . 0 0 "[ . 1 . 2]" 1 30 1 12 ARG HA 1 13 GLN H 1.800 . 3.800 3.542 3.491 3.575 . 0 0 "[ . 1 . 2]" 1 31 1 12 ARG HA 1 15 ALA MB 1.800 . 5.000 2.748 2.381 3.132 . 0 0 "[ . 1 . 2]" 1 32 1 12 ARG HA 1 15 ALA H 1.800 . 5.000 3.572 3.274 3.855 . 0 0 "[ . 1 . 2]" 1 33 1 12 ARG HD3 1 50 TRP HE1 1.800 . 5.000 4.060 2.732 5.043 0.043 5 0 "[ . 1 . 2]" 1 34 1 12 ARG HD2 1 50 TRP HE1 1.800 . 5.000 4.049 2.913 5.027 0.027 19 0 "[ . 1 . 2]" 1 35 1 12 ARG QG 1 50 TRP HD1 1.800 . 5.000 3.908 2.306 4.940 . 0 0 "[ . 1 . 2]" 1 36 1 12 ARG H 1 13 GLN QB 1.800 . 5.000 4.573 4.254 4.847 . 0 0 "[ . 1 . 2]" 1 37 1 13 GLN HA 1 14 ARG H 1.800 . 3.800 3.541 3.497 3.580 . 0 0 "[ . 1 . 2]" 1 38 1 13 GLN HA 1 16 VAL HB 1.800 . 5.000 3.150 2.604 3.708 . 0 0 "[ . 1 . 2]" 1 39 1 13 GLN HA 1 16 VAL MG2 1.800 . 5.000 3.303 2.695 4.099 . 0 0 "[ . 1 . 2]" 1 40 1 13 GLN HA 1 16 VAL H 1.800 . 5.000 3.643 3.271 4.123 . 0 0 "[ . 1 . 2]" 1 41 1 13 GLN HA 1 17 ARG H 1.800 . 5.000 4.032 3.624 4.428 . 0 0 "[ . 1 . 2]" 1 42 1 13 GLN QG 1 14 ARG H 1.800 . 5.000 3.872 3.131 4.278 . 0 0 "[ . 1 . 2]" 1 43 1 13 GLN H 1 15 ALA H 1.800 . 5.000 4.116 3.803 4.317 . 0 0 "[ . 1 . 2]" 1 44 1 14 ARG HA 1 15 ALA H 1.800 . 3.800 3.530 3.486 3.550 . 0 0 "[ . 1 . 2]" 1 45 1 14 ARG HA 1 17 ARG QB 1.800 . 5.000 2.629 2.103 3.182 . 0 0 "[ . 1 . 2]" 1 46 1 14 ARG HA 1 17 ARG QD 1.800 . 5.000 3.860 2.871 5.051 0.051 16 0 "[ . 1 . 2]" 1 47 1 14 ARG HA 1 17 ARG H 1.800 . 5.000 3.624 3.042 4.142 . 0 0 "[ . 1 . 2]" 1 48 1 14 ARG HA 1 18 MET H 1.800 . 5.000 3.961 3.544 4.242 . 0 0 "[ . 1 . 2]" 1 49 1 14 ARG QD 1 15 ALA H 1.800 . 5.000 4.623 3.463 5.084 0.084 17 0 "[ . 1 . 2]" 1 50 1 14 ARG H 1 15 ALA H 1.800 . 3.500 2.697 2.453 2.819 . 0 0 "[ . 1 . 2]" 1 51 1 15 ALA HA 1 16 VAL H 1.800 . 3.500 3.554 3.535 3.564 0.064 14 0 "[ . 1 . 2]" 1 52 1 15 ALA HA 1 18 MET HB3 1.800 . 5.000 3.610 2.368 5.036 0.036 19 0 "[ . 1 . 2]" 1 53 1 15 ALA HA 1 18 MET HB2 1.800 . 5.000 3.477 2.331 4.278 . 0 0 "[ . 1 . 2]" 1 54 1 15 ALA HA 1 18 MET ME 1.800 . 5.000 3.661 1.984 5.073 0.073 12 0 "[ . 1 . 2]" 1 55 1 15 ALA HA 1 18 MET H 1.800 . 5.000 3.645 3.317 3.877 . 0 0 "[ . 1 . 2]" 1 56 1 15 ALA HA 1 19 VAL H 1.800 . 5.000 4.250 3.993 4.478 . 0 0 "[ . 1 . 2]" 1 57 1 15 ALA HA 1 36 ILE MG 1.800 . 5.000 3.550 2.856 4.175 . 0 0 "[ . 1 . 2]" 1 58 1 15 ALA MB 1 18 MET H 1.800 . 5.000 4.675 4.467 4.859 . 0 0 "[ . 1 . 2]" 1 59 1 15 ALA MB 1 36 ILE MG 1.800 . 5.000 3.600 3.005 4.020 . 0 0 "[ . 1 . 2]" 1 60 1 15 ALA MB 1 40 ILE MD 1.800 . 5.000 2.300 1.790 3.169 0.010 2 0 "[ . 1 . 2]" 1 61 1 15 ALA MB 1 40 ILE MG 1.800 . 5.000 3.369 2.230 4.149 . 0 0 "[ . 1 . 2]" 1 62 1 15 ALA MB 1 47 LEU MD1 1.800 . 5.000 2.346 1.881 3.844 . 0 0 "[ . 1 . 2]" 1 63 1 15 ALA MB 1 50 TRP HE3 1.800 . 5.000 2.647 2.056 3.599 . 0 0 "[ . 1 . 2]" 1 64 1 15 ALA MB 1 50 TRP HZ3 1.800 . 5.000 2.936 2.349 4.017 . 0 0 "[ . 1 . 2]" 1 65 1 15 ALA H 1 16 VAL H 1.800 . 3.500 2.821 2.696 2.943 . 0 0 "[ . 1 . 2]" 1 66 1 15 ALA H 1 40 ILE MD 1.800 . 5.000 4.069 3.262 4.927 . 0 0 "[ . 1 . 2]" 1 67 1 16 VAL HA 1 17 ARG H 1.800 . 3.800 3.540 3.508 3.571 . 0 0 "[ . 1 . 2]" 1 68 1 16 VAL HA 1 19 VAL HB 1.800 . 5.000 2.784 2.318 3.236 . 0 0 "[ . 1 . 2]" 1 69 1 16 VAL HA 1 19 VAL H 1.800 . 5.000 3.454 3.186 3.880 . 0 0 "[ . 1 . 2]" 1 70 1 16 VAL HA 1 47 LEU MD1 1.800 . 5.000 3.775 3.163 5.026 0.026 16 0 "[ . 1 . 2]" 1 71 1 16 VAL MG1 1 17 ARG HA 1.800 . 5.000 3.505 3.263 3.785 . 0 0 "[ . 1 . 2]" 1 72 1 16 VAL MG1 1 17 ARG H 1.800 . 5.000 3.470 3.282 3.677 . 0 0 "[ . 1 . 2]" 1 73 1 16 VAL MG1 1 20 LEU MD1 1.800 . 5.000 2.542 2.217 3.203 . 0 0 "[ . 1 . 2]" 1 74 1 16 VAL MG1 1 20 LEU HG 1.800 . 5.000 2.681 2.248 3.291 . 0 0 "[ . 1 . 2]" 1 75 1 16 VAL MG1 1 51 VAL HA 1.800 . 5.000 2.661 1.995 3.639 . 0 0 "[ . 1 . 2]" 1 76 1 16 VAL MG1 1 54 HIS HB3 1.800 . 5.000 2.786 1.929 4.076 . 0 0 "[ . 1 . 2]" 1 77 1 16 VAL MG1 1 54 HIS HB2 1.800 . 5.000 2.751 1.876 3.334 . 0 0 "[ . 1 . 2]" 1 78 1 16 VAL MG1 1 54 HIS H 1.800 . 5.000 4.378 3.700 4.957 . 0 0 "[ . 1 . 2]" 1 79 1 16 VAL MG2 1 17 ARG H 1.800 . 5.000 3.784 3.685 3.877 . 0 0 "[ . 1 . 2]" 1 80 1 16 VAL MG2 1 50 TRP QB 1.800 . 5.000 2.297 1.779 2.900 0.021 2 0 "[ . 1 . 2]" 1 81 1 16 VAL MG2 1 51 VAL HA 1.800 . 5.000 2.867 1.851 3.749 . 0 0 "[ . 1 . 2]" 1 82 1 16 VAL MG2 1 54 HIS QB 1.800 . 5.000 2.722 1.799 4.190 0.001 11 0 "[ . 1 . 2]" 1 83 1 16 VAL MG2 1 54 HIS H 1.800 . 5.000 4.108 3.296 4.999 . 0 0 "[ . 1 . 2]" 1 84 1 16 VAL H 1 17 ARG H 1.800 . 3.500 2.716 2.594 2.851 . 0 0 "[ . 1 . 2]" 1 85 1 17 ARG HA 1 18 MET H 1.800 . 3.800 3.543 3.497 3.570 . 0 0 "[ . 1 . 2]" 1 86 1 17 ARG HA 1 20 LEU QB 1.800 . 5.000 2.873 2.397 3.203 . 0 0 "[ . 1 . 2]" 1 87 1 17 ARG HA 1 20 LEU MD1 1.800 . 5.000 2.697 2.142 3.448 . 0 0 "[ . 1 . 2]" 1 88 1 17 ARG HA 1 20 LEU H 1.800 . 5.000 3.460 3.183 3.740 . 0 0 "[ . 1 . 2]" 1 89 1 17 ARG QG 1 18 MET H 1.800 . 5.000 3.667 3.176 4.192 . 0 0 "[ . 1 . 2]" 1 90 1 17 ARG H 1 20 LEU MD1 1.800 . 5.000 4.592 4.194 4.848 . 0 0 "[ . 1 . 2]" 1 91 1 18 MET HA 1 19 VAL H 1.800 . 3.800 3.527 3.492 3.549 . 0 0 "[ . 1 . 2]" 1 92 1 18 MET HA 1 21 GLU QB 1.800 . 5.000 2.618 2.177 3.252 . 0 0 "[ . 1 . 2]" 1 93 1 18 MET HA 1 21 GLU H 1.800 . 5.000 3.452 2.844 4.020 . 0 0 "[ . 1 . 2]" 1 94 1 18 MET QB 1 36 ILE MD 1.800 . 4.000 2.844 2.018 3.663 . 0 0 "[ . 1 . 2]" 1 95 1 18 MET QB 1 36 ILE MG 1.800 . 5.000 2.862 2.129 3.968 . 0 0 "[ . 1 . 2]" 1 96 1 18 MET ME 1 36 ILE MD 1.800 . 5.000 3.670 2.165 5.008 0.008 17 0 "[ . 1 . 2]" 1 97 1 18 MET ME 1 36 ILE MG 1.800 . 5.000 3.002 1.759 4.441 0.041 14 0 "[ . 1 . 2]" 1 98 1 18 MET ME 1 39 LYS QD 1.800 . 5.000 4.024 2.446 5.037 0.037 19 0 "[ . 1 . 2]" 1 99 1 18 MET ME 1 39 LYS QG 1.800 . 5.000 4.115 2.506 4.996 . 0 0 "[ . 1 . 2]" 1 100 1 18 MET ME 1 40 ILE MD 1.800 . 5.000 3.281 2.170 5.005 0.005 3 0 "[ . 1 . 2]" 1 101 1 18 MET H 1 19 VAL H 1.800 . 3.500 2.658 2.496 2.788 . 0 0 "[ . 1 . 2]" 1 102 1 19 VAL HA 1 20 LEU H 1.800 . 3.800 3.553 3.522 3.571 . 0 0 "[ . 1 . 2]" 1 103 1 19 VAL HA 1 22 SER H 1.800 . 5.000 3.683 3.441 3.925 . 0 0 "[ . 1 . 2]" 1 104 1 19 VAL HA 1 32 THR MG 1.800 . 5.000 2.708 1.849 4.218 . 0 0 "[ . 1 . 2]" 1 105 1 19 VAL HA 1 36 ILE MD 1.800 . 5.000 2.556 1.898 4.092 . 0 0 "[ . 1 . 2]" 1 106 1 19 VAL HA 1 36 ILE QG 1.800 . 5.000 3.521 1.842 4.315 . 0 0 "[ . 1 . 2]" 1 107 1 19 VAL HB 1 20 LEU HA 1.800 . 5.000 4.285 4.073 4.379 . 0 0 "[ . 1 . 2]" 1 108 1 19 VAL HB 1 20 LEU H 1.800 . 3.500 2.517 2.380 2.674 . 0 0 "[ . 1 . 2]" 1 109 1 19 VAL HB 1 51 VAL MG2 1.800 . 5.000 3.227 2.589 4.392 . 0 0 "[ . 1 . 2]" 1 110 1 19 VAL MG1 1 20 LEU HA 1.800 . 5.000 3.317 3.146 3.435 . 0 0 "[ . 1 . 2]" 1 111 1 19 VAL MG1 1 20 LEU H 1.800 . 5.000 3.302 3.128 3.432 . 0 0 "[ . 1 . 2]" 1 112 1 19 VAL MG1 1 23 GLN QB 1.800 . 5.000 3.015 2.752 4.022 . 0 0 "[ . 1 . 2]" 1 113 1 19 VAL MG1 1 23 GLN QE 1.800 . 5.000 3.622 1.780 4.986 0.020 1 0 "[ . 1 . 2]" 1 114 1 19 VAL MG1 1 29 GLN QE 1.800 . 5.000 3.800 2.232 4.924 . 0 0 "[ . 1 . 2]" 1 115 1 19 VAL MG1 1 29 GLN QG 1.800 . 5.000 3.198 2.172 4.533 . 0 0 "[ . 1 . 2]" 1 116 1 19 VAL MG1 1 32 THR HB 1.800 . 5.000 3.036 2.261 3.825 . 0 0 "[ . 1 . 2]" 1 117 1 19 VAL MG1 1 32 THR MG 1.800 . 5.000 2.610 2.101 4.144 . 0 0 "[ . 1 . 2]" 1 118 1 19 VAL MG1 1 33 ILE QG 1.800 . 5.000 2.822 2.209 3.516 . 0 0 "[ . 1 . 2]" 1 119 1 19 VAL MG1 1 51 VAL MG2 1.800 . 5.000 2.404 1.831 3.200 . 0 0 "[ . 1 . 2]" 1 120 1 19 VAL MG2 1 20 LEU H 1.800 . 5.000 3.821 3.678 3.906 . 0 0 "[ . 1 . 2]" 1 121 1 19 VAL MG2 1 33 ILE HA 1.800 . 4.000 3.352 2.941 3.877 . 0 0 "[ . 1 . 2]" 1 122 1 19 VAL MG2 1 33 ILE QG 1.800 . 5.000 3.348 2.759 4.434 . 0 0 "[ . 1 . 2]" 1 123 1 19 VAL MG2 1 36 ILE HB 1.800 . 5.000 3.089 2.450 3.928 . 0 0 "[ . 1 . 2]" 1 124 1 19 VAL MG2 1 47 LEU MD2 1.800 . 5.000 2.733 1.933 4.909 . 0 0 "[ . 1 . 2]" 1 125 1 19 VAL MG2 1 47 LEU HG 1.800 . 5.000 2.945 2.387 3.965 . 0 0 "[ . 1 . 2]" 1 126 1 19 VAL H 1 20 LEU H 1.800 . 3.500 2.726 2.617 2.797 . 0 0 "[ . 1 . 2]" 1 127 1 19 VAL H 1 36 ILE MD 1.800 . 5.000 3.689 3.042 4.982 . 0 0 "[ . 1 . 2]" 1 128 1 20 LEU HA 1 20 LEU MD2 1.800 . 5.000 2.002 1.932 2.059 . 0 0 "[ . 1 . 2]" 1 129 1 20 LEU HA 1 21 GLU H 1.800 . 3.800 3.540 3.513 3.567 . 0 0 "[ . 1 . 2]" 1 130 1 20 LEU HA 1 23 GLN HE21 1.800 . 5.000 3.491 2.267 5.029 0.029 5 0 "[ . 1 . 2]" 1 131 1 20 LEU HA 1 23 GLN QG 1.800 . 5.000 4.025 2.777 4.517 . 0 0 "[ . 1 . 2]" 1 132 1 20 LEU HA 1 23 GLN H 1.800 . 5.000 3.296 3.028 3.465 . 0 0 "[ . 1 . 2]" 1 133 1 20 LEU HA 1 24 GLY H 1.800 . 5.000 4.404 4.188 4.520 . 0 0 "[ . 1 . 2]" 1 134 1 20 LEU QB 1 21 GLU QB 1.800 . 5.000 4.047 3.718 4.471 . 0 0 "[ . 1 . 2]" 1 135 1 20 LEU MD2 1 23 GLN QE 1.800 . 5.000 2.900 2.121 5.030 0.030 15 0 "[ . 1 . 2]" 1 136 1 20 LEU MD2 1 23 GLN QG 1.800 . 5.000 4.150 3.323 4.747 . 0 0 "[ . 1 . 2]" 1 137 1 20 LEU MD2 1 29 GLN QE 1.800 . 5.000 4.264 3.363 5.038 0.038 12 0 "[ . 1 . 2]" 1 138 1 20 LEU H 1 20 LEU MD2 1.800 . 5.000 3.231 3.029 3.376 . 0 0 "[ . 1 . 2]" 1 139 1 20 LEU H 1 21 GLU H 1.800 . 3.500 2.683 2.557 2.823 . 0 0 "[ . 1 . 2]" 1 140 1 21 GLU HA 1 22 SER H 1.800 . 3.800 3.533 3.412 3.567 . 0 0 "[ . 1 . 2]" 1 141 1 21 GLU H 1 22 SER H 1.800 . 3.500 2.733 2.544 2.890 . 0 0 "[ . 1 . 2]" 1 142 1 21 GLU H 1 23 GLN H 1.800 . 5.000 3.865 3.705 4.066 . 0 0 "[ . 1 . 2]" 1 143 1 22 SER HA 1 23 GLN H 1.800 . 3.800 3.455 3.376 3.535 . 0 0 "[ . 1 . 2]" 1 144 1 22 SER HB3 1 32 THR MG 1.800 . 5.000 2.600 1.763 3.699 0.037 17 0 "[ . 1 . 2]" 1 145 1 22 SER HB2 1 32 THR MG 1.800 . 5.000 2.132 1.764 3.350 0.036 10 0 "[ . 1 . 2]" 1 146 1 22 SER QB 1 26 TYR QE 1.800 . 5.000 2.936 2.010 4.768 . 0 0 "[ . 1 . 2]" 1 147 1 22 SER QB 1 26 TYR H 1.800 . 5.000 4.294 3.952 4.804 . 0 0 "[ . 1 . 2]" 1 148 1 22 SER QB 1 32 THR HB 1.800 . 5.000 4.188 2.474 4.853 . 0 0 "[ . 1 . 2]" 1 149 1 22 SER QB 1 36 ILE MD 1.800 . 5.000 2.647 2.025 3.534 . 0 0 "[ . 1 . 2]" 1 150 1 22 SER H 1 24 GLY H 1.800 . 5.000 4.034 3.701 4.305 . 0 0 "[ . 1 . 2]" 1 151 1 22 SER H 1 32 THR MG 1.800 . 5.000 3.772 3.489 4.277 . 0 0 "[ . 1 . 2]" 1 152 1 22 SER H 1 36 ILE MD 1.800 . 5.000 4.091 3.472 4.927 . 0 0 "[ . 1 . 2]" 1 153 1 23 GLN HA 1 24 GLY H 1.800 . 3.800 3.477 3.407 3.533 . 0 0 "[ . 1 . 2]" 1 154 1 23 GLN HA 1 26 TYR H 1.800 . 5.000 3.212 2.709 3.553 . 0 0 "[ . 1 . 2]" 1 155 1 23 GLN QB 1 32 THR MG 1.800 . 5.000 3.075 2.381 3.788 . 0 0 "[ . 1 . 2]" 1 156 1 23 GLN QG 1 24 GLY H 1.800 . 5.000 4.004 3.492 4.504 . 0 0 "[ . 1 . 2]" 1 157 1 23 GLN H 1 32 THR MG 1.800 . 5.000 3.074 2.598 3.602 . 0 0 "[ . 1 . 2]" 1 158 1 24 GLY HA3 1 25 GLU H 1.800 . 3.500 3.122 2.837 3.532 0.032 9 0 "[ . 1 . 2]" 1 159 1 24 GLY HA2 1 25 GLU H 1.800 . 3.500 3.356 2.683 3.509 0.009 1 0 "[ . 1 . 2]" 1 160 1 24 GLY QA 1 26 TYR H 1.800 . 5.000 4.415 3.886 4.825 . 0 0 "[ . 1 . 2]" 1 161 1 24 GLY H 1 25 GLU H 1.800 . 3.500 2.630 2.344 3.409 . 0 0 "[ . 1 . 2]" 1 162 1 25 GLU QB 1 26 TYR QD 1.800 . 5.000 3.059 2.335 3.897 . 0 0 "[ . 1 . 2]" 1 163 1 25 GLU QB 1 26 TYR QE 1.800 . 5.000 3.875 3.260 4.822 . 0 0 "[ . 1 . 2]" 1 164 1 25 GLU H 1 26 TYR H 1.800 . 3.500 2.229 1.856 2.617 . 0 0 "[ . 1 . 2]" 1 165 1 26 TYR HB3 1 28 SER H 1.800 . 5.000 2.733 2.117 3.518 . 0 0 "[ . 1 . 2]" 1 166 1 26 TYR HB2 1 28 SER H 1.800 . 5.000 3.898 2.574 4.691 . 0 0 "[ . 1 . 2]" 1 167 1 26 TYR QB 1 32 THR H 1.800 . 5.000 3.877 3.053 4.577 . 0 0 "[ . 1 . 2]" 1 168 1 26 TYR QD 1 28 SER H 1.800 . 5.000 4.266 3.560 5.029 0.029 2 0 "[ . 1 . 2]" 1 169 1 26 TYR QD 1 31 ALA MB 1.800 . 5.000 3.102 2.014 4.559 . 0 0 "[ . 1 . 2]" 1 170 1 26 TYR QD 1 32 THR MG 1.800 . 5.000 3.024 2.199 4.050 . 0 0 "[ . 1 . 2]" 1 171 1 26 TYR QE 1 32 THR MG 1.800 . 5.000 3.777 2.823 5.030 0.030 1 0 "[ . 1 . 2]" 1 172 1 26 TYR QE 1 35 SER QB 1.800 . 5.000 4.127 2.619 5.070 0.070 13 0 "[ . 1 . 2]" 1 173 1 27 ASP H 1 31 ALA MB 1.800 . 5.000 4.510 3.454 5.080 0.080 1 0 "[ . 1 . 2]" 1 174 1 28 SER QB 1 30 TRP H 1.800 . 5.000 3.301 2.552 4.139 . 0 0 "[ . 1 . 2]" 1 175 1 28 SER H 1 31 ALA MB 1.800 . 5.000 3.455 2.459 4.251 . 0 0 "[ . 1 . 2]" 1 176 1 29 GLN HA 1 32 THR HB 1.800 . 5.000 3.296 2.256 5.040 0.040 4 0 "[ . 1 . 2]" 1 177 1 29 GLN HA 1 32 THR H 1.800 . 5.000 3.371 3.004 3.756 . 0 0 "[ . 1 . 2]" 1 178 1 29 GLN QB 1 32 THR H 1.800 . 5.000 4.913 4.585 5.076 0.076 5 0 "[ . 1 . 2]" 1 179 1 29 GLN HE21 1 51 VAL MG1 1.800 . 5.000 3.477 1.803 5.027 0.027 7 0 "[ . 1 . 2]" 1 180 1 29 GLN HE22 1 51 VAL MG1 1.800 . 5.000 3.074 1.796 4.432 0.004 8 0 "[ . 1 . 2]" 1 181 1 29 GLN HG3 1 33 ILE MD 1.800 . 5.000 3.709 2.406 5.052 0.052 16 0 "[ . 1 . 2]" 1 182 1 29 GLN HG2 1 33 ILE MD 1.800 . 5.000 2.904 2.085 4.146 . 0 0 "[ . 1 . 2]" 1 183 1 29 GLN QG 1 51 VAL MG1 1.800 . 5.000 4.087 3.075 4.769 . 0 0 "[ . 1 . 2]" 1 184 1 30 TRP HA 1 33 ILE HB 1.800 . 5.000 2.793 2.248 3.689 . 0 0 "[ . 1 . 2]" 1 185 1 30 TRP HA 1 33 ILE MD 1.800 . 5.000 2.831 1.993 4.266 . 0 0 "[ . 1 . 2]" 1 186 1 31 ALA HA 1 34 CYS QB 1.800 . 5.000 3.310 2.300 4.563 . 0 0 "[ . 1 . 2]" 1 187 1 31 ALA HA 1 34 CYS H 1.800 . 5.000 3.709 3.361 4.137 . 0 0 "[ . 1 . 2]" 1 188 1 31 ALA H 1 32 THR H 1.800 . 3.500 2.590 2.418 2.817 . 0 0 "[ . 1 . 2]" 1 189 1 32 THR HA 1 35 SER QB 1.800 . 5.000 3.150 2.079 4.446 . 0 0 "[ . 1 . 2]" 1 190 1 32 THR HA 1 35 SER H 1.800 . 5.000 3.660 3.180 4.082 . 0 0 "[ . 1 . 2]" 1 191 1 32 THR MG 1 36 ILE MD 1.800 . 5.000 2.613 1.809 3.590 . 0 0 "[ . 1 . 2]" 1 192 1 32 THR H 1 33 ILE H 1.800 . 3.500 2.625 2.304 2.900 . 0 0 "[ . 1 . 2]" 1 193 1 33 ILE HA 1 33 ILE MD 1.800 . 5.000 3.634 1.979 3.844 . 0 0 "[ . 1 . 2]" 1 194 1 33 ILE HA 1 36 ILE HB 1.800 . 5.000 3.096 2.646 3.566 . 0 0 "[ . 1 . 2]" 1 195 1 33 ILE HA 1 36 ILE H 1.800 . 5.000 3.507 3.154 3.753 . 0 0 "[ . 1 . 2]" 1 196 1 33 ILE HA 1 37 ALA H 1.800 . 5.000 3.934 3.356 4.600 . 0 0 "[ . 1 . 2]" 1 197 1 33 ILE HA 1 47 LEU MD2 1.800 . 5.000 2.828 1.781 4.586 0.019 4 0 "[ . 1 . 2]" 1 198 1 33 ILE MD 1 47 LEU MD2 1.800 . 5.000 4.015 2.412 5.039 0.039 10 0 "[ . 1 . 2]" 1 199 1 33 ILE MD 1 48 ARG HA 1.800 . 5.000 2.826 2.152 3.379 . 0 0 "[ . 1 . 2]" 1 200 1 33 ILE MD 1 48 ARG HB3 1.800 . 5.000 4.061 3.517 4.810 . 0 0 "[ . 1 . 2]" 1 201 1 33 ILE MD 1 48 ARG HB2 1.800 . 5.000 3.176 2.037 4.841 . 0 0 "[ . 1 . 2]" 1 202 1 33 ILE MD 1 48 ARG QG 1.800 . 5.000 2.931 1.719 4.734 0.081 6 0 "[ . 1 . 2]" 1 203 1 33 ILE MD 1 48 ARG H 1.800 . 5.000 3.698 3.087 4.232 . 0 0 "[ . 1 . 2]" 1 204 1 33 ILE QG 1 47 LEU HG 1.800 . 5.000 3.472 2.769 4.840 . 0 0 "[ . 1 . 2]" 1 205 1 33 ILE QG 1 48 ARG H 1.800 . 5.000 4.829 4.327 5.045 0.045 18 0 "[ . 1 . 2]" 1 206 1 33 ILE MG 1 34 CYS H 1.800 . 5.000 3.300 3.138 3.547 . 0 0 "[ . 1 . 2]" 1 207 1 33 ILE MG 1 37 ALA MB 1.800 . 5.000 3.004 2.390 3.823 . 0 0 "[ . 1 . 2]" 1 208 1 33 ILE MG 1 44 PRO HA 1.800 . 5.000 2.463 2.135 3.039 . 0 0 "[ . 1 . 2]" 1 209 1 33 ILE MG 1 44 PRO QB 1.800 . 5.000 2.285 1.872 3.042 . 0 0 "[ . 1 . 2]" 1 210 1 33 ILE MG 1 47 LEU HG 1.800 . 5.000 2.839 2.319 3.288 . 0 0 "[ . 1 . 2]" 1 211 1 33 ILE MG 1 48 ARG QB 1.800 . 5.000 3.381 2.480 4.866 . 0 0 "[ . 1 . 2]" 1 212 1 33 ILE MG 1 48 ARG H 1.800 . 5.000 3.282 2.811 3.961 . 0 0 "[ . 1 . 2]" 1 213 1 33 ILE H 1 33 ILE MD 1.800 . 5.000 3.520 3.105 3.646 . 0 0 "[ . 1 . 2]" 1 214 1 34 CYS HA 1 37 ALA MB 1.800 . 5.000 3.158 2.541 3.443 . 0 0 "[ . 1 . 2]" 1 215 1 34 CYS HA 1 44 PRO QB 1.800 . 5.000 3.102 1.806 4.052 . 0 0 "[ . 1 . 2]" 1 216 1 34 CYS HA 1 44 PRO QG 1.800 . 5.000 3.248 2.224 4.318 . 0 0 "[ . 1 . 2]" 1 217 1 34 CYS H 1 44 PRO QB 1.800 . 5.000 4.491 3.734 5.012 0.012 18 0 "[ . 1 . 2]" 1 218 1 35 SER HA 1 36 ILE H 1.800 . 3.800 3.479 3.377 3.538 . 0 0 "[ . 1 . 2]" 1 219 1 35 SER H 1 36 ILE HB 1.800 . 5.000 4.456 4.260 4.753 . 0 0 "[ . 1 . 2]" 1 220 1 35 SER H 1 36 ILE H 1.800 . 3.500 2.238 2.141 2.461 . 0 0 "[ . 1 . 2]" 1 221 1 36 ILE HA 1 36 ILE MD 1.800 . 5.000 3.201 1.942 3.837 . 0 0 "[ . 1 . 2]" 1 222 1 36 ILE HA 1 37 ALA H 1.800 . 3.800 3.494 3.402 3.553 . 0 0 "[ . 1 . 2]" 1 223 1 36 ILE HA 1 38 PRO QD 1.800 . 5.000 3.681 3.241 3.873 . 0 0 "[ . 1 . 2]" 1 224 1 36 ILE HA 1 39 LYS QB 1.800 . 5.000 2.502 1.914 3.028 . 0 0 "[ . 1 . 2]" 1 225 1 36 ILE HA 1 39 LYS H 1.800 . 5.000 3.479 3.111 3.796 . 0 0 "[ . 1 . 2]" 1 226 1 36 ILE QG 1 38 PRO QD 1.800 . 5.000 4.965 4.830 5.073 0.073 19 0 "[ . 1 . 2]" 1 227 1 36 ILE QG 1 39 LYS QB 1.800 . 5.000 4.222 3.329 5.050 0.050 5 0 "[ . 1 . 2]" 1 228 1 36 ILE MG 1 37 ALA HA 1.800 . 5.000 3.507 3.272 3.845 . 0 0 "[ . 1 . 2]" 1 229 1 36 ILE MG 1 37 ALA H 1.800 . 5.000 3.584 3.365 3.872 . 0 0 "[ . 1 . 2]" 1 230 1 36 ILE MG 1 40 ILE HB 1.800 . 5.000 3.940 3.375 4.493 . 0 0 "[ . 1 . 2]" 1 231 1 36 ILE MG 1 40 ILE QG 1.800 . 5.000 2.456 1.860 2.895 . 0 0 "[ . 1 . 2]" 1 232 1 36 ILE MG 1 40 ILE H 1.800 . 5.000 3.708 3.107 4.045 . 0 0 "[ . 1 . 2]" 1 233 1 36 ILE MG 1 47 LEU MD2 1.800 . 5.000 2.849 2.357 3.804 . 0 0 "[ . 1 . 2]" 1 234 1 36 ILE H 1 37 ALA H 1.800 . 3.500 2.346 2.060 2.585 . 0 0 "[ . 1 . 2]" 1 235 1 37 ALA HA 1 38 PRO QD 1.800 . 3.800 3.577 3.560 3.596 . 0 0 "[ . 1 . 2]" 1 236 1 37 ALA HA 1 40 ILE HB 1.800 . 5.000 3.597 3.086 4.340 . 0 0 "[ . 1 . 2]" 1 237 1 37 ALA HA 1 40 ILE QG 1.800 . 5.000 4.128 3.029 4.947 . 0 0 "[ . 1 . 2]" 1 238 1 37 ALA HA 1 40 ILE H 1.800 . 5.000 3.744 3.476 4.025 . 0 0 "[ . 1 . 2]" 1 239 1 37 ALA HA 1 47 LEU MD2 1.800 . 5.000 2.589 1.784 3.822 0.016 11 0 "[ . 1 . 2]" 1 240 1 37 ALA MB 1 38 PRO HD3 1.800 . 5.000 1.834 1.716 2.038 0.084 10 0 "[ . 1 . 2]" 1 241 1 37 ALA MB 1 38 PRO HD2 1.800 . 5.000 2.963 2.613 3.267 . 0 0 "[ . 1 . 2]" 1 242 1 37 ALA MB 1 44 PRO HA 1.800 . 5.000 2.395 1.897 2.953 . 0 0 "[ . 1 . 2]" 1 243 1 37 ALA MB 1 44 PRO QB 1.800 . 5.000 3.215 2.575 3.726 . 0 0 "[ . 1 . 2]" 1 244 1 37 ALA MB 1 44 PRO HD3 1.800 . 5.000 2.817 2.153 3.224 . 0 0 "[ . 1 . 2]" 1 245 1 37 ALA MB 1 44 PRO HD2 1.800 . 5.000 4.022 3.544 4.355 . 0 0 "[ . 1 . 2]" 1 246 1 37 ALA MB 1 47 LEU MD2 1.800 . 5.000 2.617 1.996 4.379 . 0 0 "[ . 1 . 2]" 1 247 1 37 ALA H 1 38 PRO QD 1.800 . 5.000 2.383 2.249 2.505 . 0 0 "[ . 1 . 2]" 1 248 1 37 ALA H 1 38 PRO QG 1.800 . 5.000 4.317 4.176 4.440 . 0 0 "[ . 1 . 2]" 1 249 1 37 ALA H 1 39 LYS H 1.800 . 5.000 4.019 3.752 4.251 . 0 0 "[ . 1 . 2]" 1 250 1 37 ALA H 1 47 LEU MD2 1.800 . 5.000 3.176 2.506 5.024 0.024 14 0 "[ . 1 . 2]" 1 251 1 38 PRO HA 1 39 LYS H 1.800 . 3.800 3.425 3.231 3.498 . 0 0 "[ . 1 . 2]" 1 252 1 38 PRO HA 1 40 ILE H 1.800 . 5.000 4.340 3.943 4.693 . 0 0 "[ . 1 . 2]" 1 253 1 38 PRO HA 1 41 GLY H 1.800 . 5.000 3.440 3.257 3.796 . 0 0 "[ . 1 . 2]" 1 254 1 38 PRO HA 1 42 CYS H 1.800 . 5.000 3.740 2.815 4.535 . 0 0 "[ . 1 . 2]" 1 255 1 38 PRO QD 1 39 LYS H 1.800 . 5.000 2.601 2.284 2.879 . 0 0 "[ . 1 . 2]" 1 256 1 39 LYS HA 1 40 ILE H 1.800 . 3.800 3.514 3.434 3.561 . 0 0 "[ . 1 . 2]" 1 257 1 39 LYS QG 1 40 ILE H 1.800 . 5.000 3.821 3.150 4.212 . 0 0 "[ . 1 . 2]" 1 258 1 39 LYS H 1 41 GLY H 1.800 . 5.000 3.748 3.548 4.036 . 0 0 "[ . 1 . 2]" 1 259 1 40 ILE HA 1 41 GLY H 1.800 . 3.800 3.525 3.447 3.562 . 0 0 "[ . 1 . 2]" 1 260 1 40 ILE HB 1 42 CYS H 1.800 . 5.000 3.389 2.505 3.819 . 0 0 "[ . 1 . 2]" 1 261 1 40 ILE QG 1 41 GLY H 1.800 . 5.000 3.947 3.868 4.065 . 0 0 "[ . 1 . 2]" 1 262 1 40 ILE MG 1 41 GLY H 1.800 . 5.000 3.511 3.224 3.889 . 0 0 "[ . 1 . 2]" 1 263 1 40 ILE MG 1 42 CYS H 1.800 . 5.000 4.066 3.142 4.492 . 0 0 "[ . 1 . 2]" 1 264 1 40 ILE MG 1 50 TRP HH2 1.800 . 5.000 3.897 2.497 5.015 0.015 15 0 "[ . 1 . 2]" 1 265 1 40 ILE MG 1 50 TRP HZ3 1.800 . 5.000 3.426 2.080 4.980 . 0 0 "[ . 1 . 2]" 1 266 1 40 ILE H 1 41 GLY H 1.800 . 3.500 2.355 2.042 2.595 . 0 0 "[ . 1 . 2]" 1 267 1 41 GLY H 1 42 CYS H 1.800 . 3.500 2.136 1.940 2.368 . 0 0 "[ . 1 . 2]" 1 268 1 42 CYS HA 1 43 THR H 1.800 . 3.500 2.469 2.241 2.745 . 0 0 "[ . 1 . 2]" 1 269 1 42 CYS QB 1 46 THR HB 1.800 . 5.000 2.952 2.030 3.846 . 0 0 "[ . 1 . 2]" 1 270 1 42 CYS QB 1 46 THR MG 1.800 . 5.000 3.350 2.406 4.455 . 0 0 "[ . 1 . 2]" 1 271 1 42 CYS QB 1 50 TRP HZ2 1.800 . 5.000 4.684 4.085 5.042 0.042 17 0 "[ . 1 . 2]" 1 272 1 43 THR HA 1 44 PRO HD3 1.800 . 3.800 2.121 1.887 2.736 . 0 0 "[ . 1 . 2]" 1 273 1 43 THR HA 1 44 PRO HD2 1.800 . 3.800 2.571 1.944 2.975 . 0 0 "[ . 1 . 2]" 1 274 1 43 THR HA 1 44 PRO QG 1.800 . 5.000 3.846 3.756 4.057 . 0 0 "[ . 1 . 2]" 1 275 1 43 THR HB 1 45 GLU H 1.800 . 5.000 3.001 2.464 4.020 . 0 0 "[ . 1 . 2]" 1 276 1 43 THR HB 1 46 THR H 1.800 . 5.000 3.328 2.387 4.413 . 0 0 "[ . 1 . 2]" 1 277 1 43 THR MG 1 44 PRO QD 1.800 . 5.000 2.707 1.916 3.270 . 0 0 "[ . 1 . 2]" 1 278 1 43 THR H 1 46 THR HB 1.800 . 5.000 3.383 2.372 3.989 . 0 0 "[ . 1 . 2]" 1 279 1 43 THR H 1 46 THR MG 1.800 . 5.000 4.225 3.468 5.014 0.014 5 0 "[ . 1 . 2]" 1 280 1 43 THR H 1 46 THR H 1.800 . 5.000 4.226 3.545 4.739 . 0 0 "[ . 1 . 2]" 1 281 1 44 PRO HA 1 47 LEU QB 1.800 . 5.000 2.776 2.343 3.736 . 0 0 "[ . 1 . 2]" 1 282 1 44 PRO HA 1 47 LEU MD2 1.800 . 5.000 3.280 1.780 4.788 0.020 2 0 "[ . 1 . 2]" 1 283 1 44 PRO HA 1 47 LEU H 1.800 . 5.000 3.498 3.238 3.783 . 0 0 "[ . 1 . 2]" 1 284 1 44 PRO HD3 1 45 GLU H 1.800 . 5.000 4.071 3.867 4.352 . 0 0 "[ . 1 . 2]" 1 285 1 44 PRO HD2 1 45 GLU H 1.800 . 5.000 2.904 2.600 3.545 . 0 0 "[ . 1 . 2]" 1 286 1 44 PRO QG 1 45 GLU H 1.800 . 5.000 3.512 2.425 3.992 . 0 0 "[ . 1 . 2]" 1 287 1 45 GLU HA 1 48 ARG QB 1.800 . 5.000 2.868 2.309 3.330 . 0 0 "[ . 1 . 2]" 1 288 1 45 GLU HA 1 48 ARG H 1.800 . 5.000 3.519 3.231 3.926 . 0 0 "[ . 1 . 2]" 1 289 1 46 THR HA 1 47 LEU H 1.800 . 3.800 3.531 3.505 3.556 . 0 0 "[ . 1 . 2]" 1 290 1 46 THR HA 1 49 VAL HB 1.800 . 5.000 2.894 2.404 3.413 . 0 0 "[ . 1 . 2]" 1 291 1 46 THR HA 1 49 VAL MG2 1.800 . 5.000 2.581 2.294 3.074 . 0 0 "[ . 1 . 2]" 1 292 1 46 THR HA 1 49 VAL H 1.800 . 5.000 3.351 3.120 3.716 . 0 0 "[ . 1 . 2]" 1 293 1 46 THR HB 1 47 LEU QB 1.800 . 5.000 4.162 3.769 4.710 . 0 0 "[ . 1 . 2]" 1 294 1 46 THR MG 1 47 LEU HA 1.800 . 5.000 3.808 3.508 4.182 . 0 0 "[ . 1 . 2]" 1 295 1 46 THR MG 1 47 LEU H 1.800 . 5.000 3.697 3.457 3.879 . 0 0 "[ . 1 . 2]" 1 296 1 46 THR MG 1 50 TRP HE1 1.800 . 5.000 3.316 2.670 4.452 . 0 0 "[ . 1 . 2]" 1 297 1 46 THR MG 1 50 TRP HZ2 1.800 . 5.000 2.892 2.570 3.411 . 0 0 "[ . 1 . 2]" 1 298 1 46 THR H 1 47 LEU H 1.800 . 3.500 2.614 2.436 2.807 . 0 0 "[ . 1 . 2]" 1 299 1 46 THR H 1 48 ARG H 1.800 . 5.000 4.125 3.877 4.307 . 0 0 "[ . 1 . 2]" 1 300 1 47 LEU HA 1 47 LEU MD1 1.800 . 5.000 2.046 1.834 2.735 . 0 0 "[ . 1 . 2]" 1 301 1 47 LEU HA 1 48 ARG H 1.800 . 3.800 3.534 3.512 3.553 . 0 0 "[ . 1 . 2]" 1 302 1 47 LEU HA 1 49 VAL H 1.800 . 5.000 4.271 4.125 4.474 . 0 0 "[ . 1 . 2]" 1 303 1 47 LEU HA 1 50 TRP QB 1.800 . 5.000 2.837 2.470 3.259 . 0 0 "[ . 1 . 2]" 1 304 1 47 LEU HA 1 51 VAL H 1.800 . 5.000 4.261 3.869 4.533 . 0 0 "[ . 1 . 2]" 1 305 1 47 LEU MD1 1 50 TRP QB 1.800 . 5.000 2.918 2.448 3.798 . 0 0 "[ . 1 . 2]" 1 306 1 47 LEU MD1 1 50 TRP HE3 1.800 . 5.000 2.108 1.813 3.363 . 0 0 "[ . 1 . 2]" 1 307 1 47 LEU MD1 1 50 TRP HZ3 1.800 . 5.000 2.992 2.361 4.754 . 0 0 "[ . 1 . 2]" 1 308 1 47 LEU HG 1 51 VAL MG2 1.800 . 5.000 3.487 2.446 5.055 0.055 16 0 "[ . 1 . 2]" 1 309 1 47 LEU H 1 47 LEU MD2 1.800 . 5.000 3.729 1.851 4.279 . 0 0 "[ . 1 . 2]" 1 310 1 47 LEU H 1 49 VAL H 1.800 . 5.000 4.072 3.906 4.333 . 0 0 "[ . 1 . 2]" 1 311 1 48 ARG HA 1 49 VAL H 1.800 . 3.800 3.526 3.502 3.545 . 0 0 "[ . 1 . 2]" 1 312 1 48 ARG HA 1 51 VAL HB 1.800 . 5.000 2.875 2.474 3.265 . 0 0 "[ . 1 . 2]" 1 313 1 48 ARG HA 1 51 VAL MG1 1.800 . 5.000 4.189 3.857 4.574 . 0 0 "[ . 1 . 2]" 1 314 1 48 ARG HA 1 51 VAL MG2 1.800 . 5.000 2.929 2.268 3.621 . 0 0 "[ . 1 . 2]" 1 315 1 48 ARG HA 1 51 VAL H 1.800 . 5.000 3.490 3.093 3.879 . 0 0 "[ . 1 . 2]" 1 316 1 48 ARG HA 1 52 ARG H 1.800 . 5.000 4.079 3.773 4.483 . 0 0 "[ . 1 . 2]" 1 317 1 48 ARG H 1 50 TRP H 1.800 . 5.000 4.262 4.161 4.497 . 0 0 "[ . 1 . 2]" 1 318 1 49 VAL HA 1 50 TRP H 1.800 . 3.800 3.554 3.535 3.575 . 0 0 "[ . 1 . 2]" 1 319 1 49 VAL HA 1 52 ARG QB 1.800 . 5.000 2.658 2.284 2.921 . 0 0 "[ . 1 . 2]" 1 320 1 49 VAL HA 1 52 ARG QG 1.800 . 5.000 4.175 2.970 4.902 . 0 0 "[ . 1 . 2]" 1 321 1 49 VAL HA 1 52 ARG H 1.800 . 5.000 3.495 3.323 3.679 . 0 0 "[ . 1 . 2]" 1 322 1 49 VAL HA 1 53 GLN H 1.800 . 5.000 4.010 3.702 4.278 . 0 0 "[ . 1 . 2]" 1 323 1 49 VAL MG1 1 50 TRP HD1 1.800 . 5.000 3.346 2.979 3.958 . 0 0 "[ . 1 . 2]" 1 324 1 49 VAL MG1 1 50 TRP HE1 1.800 . 5.000 4.535 4.215 4.891 . 0 0 "[ . 1 . 2]" 1 325 1 49 VAL MG1 1 50 TRP H 1.800 . 5.000 3.387 3.221 3.584 . 0 0 "[ . 1 . 2]" 1 326 1 49 VAL MG1 1 53 GLN H 1.800 . 5.000 3.904 3.646 4.197 . 0 0 "[ . 1 . 2]" 1 327 1 49 VAL H 1 50 TRP H 1.800 . 3.500 2.718 2.640 2.819 . 0 0 "[ . 1 . 2]" 1 328 1 49 VAL H 1 51 VAL H 1.800 . 5.000 4.178 4.001 4.355 . 0 0 "[ . 1 . 2]" 1 329 1 50 TRP HA 1 53 GLN H 1.800 . 5.000 3.446 3.244 3.731 . 0 0 "[ . 1 . 2]" 1 330 1 50 TRP QB 1 51 VAL MG2 1.800 . 5.000 3.231 3.033 3.412 . 0 0 "[ . 1 . 2]" 1 331 1 50 TRP H 1 51 VAL H 1.800 . 3.500 2.715 2.638 2.807 . 0 0 "[ . 1 . 2]" 1 332 1 51 VAL HA 1 54 HIS QB 1.800 . 5.000 2.860 2.453 3.257 . 0 0 "[ . 1 . 2]" 1 333 1 51 VAL HA 1 54 HIS H 1.800 . 5.000 3.519 3.328 3.916 . 0 0 "[ . 1 . 2]" 1 334 1 51 VAL HA 1 55 GLU H 1.800 . 5.000 4.287 4.056 4.628 . 0 0 "[ . 1 . 2]" 1 335 1 51 VAL MG1 1 52 ARG HA 1.800 . 5.000 3.430 3.319 3.571 . 0 0 "[ . 1 . 2]" 1 336 1 51 VAL MG1 1 52 ARG H 1.800 . 5.000 3.370 3.162 3.523 . 0 0 "[ . 1 . 2]" 1 337 1 51 VAL MG1 1 55 GLU QG 1.800 . 5.000 3.635 2.198 5.046 0.046 10 0 "[ . 1 . 2]" 1 338 1 51 VAL MG2 1 52 ARG H 1.800 . 5.000 3.772 3.715 3.866 . 0 0 "[ . 1 . 2]" 1 339 1 52 ARG HA 1 53 GLN H 1.800 . 3.800 3.533 3.486 3.564 . 0 0 "[ . 1 . 2]" 1 340 1 52 ARG HA 1 55 GLU QB 1.800 . 5.000 2.628 1.798 3.615 0.002 9 0 "[ . 1 . 2]" 1 341 1 52 ARG HA 1 55 GLU H 1.800 . 5.000 3.376 2.906 4.095 . 0 0 "[ . 1 . 2]" 1 342 1 52 ARG QG 1 53 GLN H 1.800 . 5.000 3.910 3.468 4.655 . 0 0 "[ . 1 . 2]" 1 343 1 52 ARG H 1 54 HIS H 1.800 . 5.000 4.186 3.996 4.425 . 0 0 "[ . 1 . 2]" 1 344 1 53 GLN HA 1 54 HIS H 1.800 . 3.800 3.534 3.469 3.575 . 0 0 "[ . 1 . 2]" 1 345 1 53 GLN HA 1 56 ARG QB 1.800 . 5.000 2.896 2.088 3.591 . 0 0 "[ . 1 . 2]" 1 346 1 53 GLN HA 1 56 ARG QG 1.800 . 5.000 4.328 3.120 5.054 0.054 3 0 "[ . 1 . 2]" 1 347 1 53 GLN HA 1 56 ARG H 1.800 . 5.000 3.468 3.081 3.822 . 0 0 "[ . 1 . 2]" 1 348 1 53 GLN HA 1 57 ASP H 1.800 . 5.000 4.122 3.012 4.650 . 0 0 "[ . 1 . 2]" 1 349 1 53 GLN H 1 54 HIS H 1.800 . 3.500 2.680 2.552 2.806 . 0 0 "[ . 1 . 2]" 1 350 1 54 HIS HA 1 55 GLU H 1.800 . 3.500 3.491 3.329 3.552 0.052 18 0 "[ . 1 . 2]" 1 351 1 54 HIS HA 1 57 ASP QB 1.800 . 5.000 2.416 1.730 3.882 0.070 11 0 "[ . 1 . 2]" 1 352 1 54 HIS HA 1 57 ASP H 1.800 . 5.000 3.291 2.640 4.274 . 0 0 "[ . 1 . 2]" 1 353 1 55 GLU HA 1 56 ARG H 1.800 . 3.800 3.516 3.445 3.559 . 0 0 "[ . 1 . 2]" 1 354 1 55 GLU HA 1 58 THR HB 1.800 . 5.000 3.745 2.683 4.766 . 0 0 "[ . 1 . 2]" 1 355 1 55 GLU HA 1 58 THR H 1.800 . 5.000 3.726 3.189 4.703 . 0 0 "[ . 1 . 2]" 1 356 1 56 ARG HA 1 57 ASP H 1.800 . 3.800 3.488 3.306 3.561 . 0 0 "[ . 1 . 2]" 1 357 1 57 ASP HA 1 58 THR H 1.800 . 3.800 3.530 3.428 3.567 . 0 0 "[ . 1 . 2]" 1 358 1 57 ASP HA 1 59 GLY H 1.800 . 5.000 4.553 3.721 5.054 0.054 8 0 "[ . 1 . 2]" 1 359 1 58 THR HA 1 59 GLY H 1.800 . 3.800 3.012 2.123 3.564 . 0 0 "[ . 1 . 2]" 1 360 1 58 THR MG 1 59 GLY H 1.800 . 5.000 3.807 3.219 4.293 . 0 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 38 _Distance_constraint_stats_list.Viol_count 67 _Distance_constraint_stats_list.Viol_total 25.397 _Distance_constraint_stats_list.Viol_max 0.079 _Distance_constraint_stats_list.Viol_rms 0.0075 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0017 _Distance_constraint_stats_list.Viol_average_violations_only 0.0190 _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 10 GLU 0.067 0.032 6 0 "[ . 1 . 2]" 1 11 VAL 0.020 0.020 17 0 "[ . 1 . 2]" 1 12 ARG 0.119 0.040 5 0 "[ . 1 . 2]" 1 13 GLN 0.020 0.017 5 0 "[ . 1 . 2]" 1 14 ARG 0.067 0.032 6 0 "[ . 1 . 2]" 1 15 ALA 0.036 0.020 17 0 "[ . 1 . 2]" 1 16 VAL 0.134 0.040 5 0 "[ . 1 . 2]" 1 17 ARG 0.049 0.025 7 0 "[ . 1 . 2]" 1 18 MET 0.007 0.006 14 0 "[ . 1 . 2]" 1 19 VAL 0.098 0.033 3 0 "[ . 1 . 2]" 1 20 LEU 0.595 0.079 17 0 "[ . 1 . 2]" 1 21 GLU 0.029 0.025 7 0 "[ . 1 . 2]" 1 22 SER 0.007 0.006 14 0 "[ . 1 . 2]" 1 23 GLN 0.082 0.033 3 0 "[ . 1 . 2]" 1 24 GLY 0.580 0.079 17 0 "[ . 1 . 2]" 1 46 THR 0.041 0.018 14 0 "[ . 1 . 2]" 1 47 LEU 0.010 0.010 13 0 "[ . 1 . 2]" 1 48 ARG 0.000 0.000 16 0 "[ . 1 . 2]" 1 49 VAL 0.011 0.011 9 0 "[ . 1 . 2]" 1 50 TRP 0.102 0.024 20 0 "[ . 1 . 2]" 1 51 VAL 0.016 0.010 13 0 "[ . 1 . 2]" 1 52 ARG 0.143 0.077 7 0 "[ . 1 . 2]" 1 53 GLN 0.054 0.027 4 0 "[ . 1 . 2]" 1 54 HIS 0.062 0.024 20 0 "[ . 1 . 2]" 1 55 GLU 0.005 0.005 20 0 "[ . 1 . 2]" 1 56 ARG 0.142 0.077 7 0 "[ . 1 . 2]" 1 57 ASP 0.043 0.027 4 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 10 GLU O 1 14 ARG N 2.700 2.700 3.300 2.885 2.674 3.295 0.026 9 0 "[ . 1 . 2]" 2 2 1 10 GLU O 1 14 ARG H 1.700 . 2.300 1.947 1.762 2.332 0.032 6 0 "[ . 1 . 2]" 2 3 1 11 VAL O 1 15 ALA N 2.700 2.700 3.300 2.889 2.680 3.107 0.020 17 0 "[ . 1 . 2]" 2 4 1 11 VAL O 1 15 ALA H 1.700 . 2.300 1.968 1.733 2.175 . 0 0 "[ . 1 . 2]" 2 5 1 12 ARG O 1 16 VAL N 2.700 2.700 3.300 3.104 2.873 3.315 0.015 5 0 "[ . 1 . 2]" 2 6 1 12 ARG O 1 16 VAL H 1.700 . 2.300 2.136 1.894 2.340 0.040 5 0 "[ . 1 . 2]" 2 7 1 13 GLN O 1 17 ARG N 2.700 2.700 3.300 2.933 2.683 3.222 0.017 5 0 "[ . 1 . 2]" 2 8 1 13 GLN O 1 17 ARG H 1.700 . 2.300 1.995 1.753 2.304 0.004 17 0 "[ . 1 . 2]" 2 9 1 14 ARG O 1 18 MET N 2.700 2.700 3.300 2.866 2.743 3.059 . 0 0 "[ . 1 . 2]" 2 10 1 14 ARG O 1 18 MET H 1.700 . 2.300 1.938 1.810 2.196 . 0 0 "[ . 1 . 2]" 2 11 1 15 ALA O 1 19 VAL N 2.700 2.700 3.300 2.972 2.826 3.258 . 0 0 "[ . 1 . 2]" 2 12 1 15 ALA O 1 19 VAL H 1.700 . 2.300 2.053 1.874 2.311 0.011 13 0 "[ . 1 . 2]" 2 13 1 16 VAL O 1 20 LEU N 2.700 2.700 3.300 2.984 2.732 3.282 . 0 0 "[ . 1 . 2]" 2 14 1 16 VAL O 1 20 LEU H 1.700 . 2.300 2.040 1.775 2.315 0.015 3 0 "[ . 1 . 2]" 2 15 1 17 ARG O 1 21 GLU N 2.700 2.700 3.300 2.873 2.675 3.107 0.025 7 0 "[ . 1 . 2]" 2 16 1 17 ARG O 1 21 GLU H 1.700 . 2.300 1.921 1.704 2.171 . 0 0 "[ . 1 . 2]" 2 17 1 18 MET O 1 22 SER N 2.700 2.700 3.300 2.997 2.836 3.246 . 0 0 "[ . 1 . 2]" 2 18 1 18 MET O 1 22 SER H 1.700 . 2.300 2.086 1.874 2.306 0.006 14 0 "[ . 1 . 2]" 2 19 1 19 VAL O 1 23 GLN N 2.700 2.700 3.300 2.748 2.667 2.937 0.033 3 0 "[ . 1 . 2]" 2 20 1 19 VAL O 1 23 GLN H 1.700 . 2.300 1.991 1.791 2.246 . 0 0 "[ . 1 . 2]" 2 21 1 20 LEU O 1 24 GLY N 2.700 2.700 3.300 3.125 2.963 3.272 . 0 0 "[ . 1 . 2]" 2 22 1 20 LEU O 1 24 GLY H 1.700 . 2.300 2.324 2.204 2.379 0.079 17 0 "[ . 1 . 2]" 2 23 1 46 THR O 1 50 TRP N 2.700 2.700 3.300 3.091 2.911 3.264 . 0 0 "[ . 1 . 2]" 2 24 1 46 THR O 1 50 TRP H 1.700 . 2.300 2.161 1.966 2.318 0.018 14 0 "[ . 1 . 2]" 2 25 1 47 LEU O 1 51 VAL N 2.700 2.700 3.300 3.054 2.785 3.255 . 0 0 "[ . 1 . 2]" 2 26 1 47 LEU O 1 51 VAL H 1.700 . 2.300 2.111 1.827 2.310 0.010 13 0 "[ . 1 . 2]" 2 27 1 48 ARG O 1 52 ARG N 2.700 2.700 3.300 2.924 2.700 3.197 0.000 16 0 "[ . 1 . 2]" 2 28 1 48 ARG O 1 52 ARG H 1.700 . 2.300 1.977 1.748 2.251 . 0 0 "[ . 1 . 2]" 2 29 1 49 VAL O 1 53 GLN N 2.700 2.700 3.300 2.812 2.689 2.998 0.011 9 0 "[ . 1 . 2]" 2 30 1 49 VAL O 1 53 GLN H 1.700 . 2.300 1.895 1.746 2.140 . 0 0 "[ . 1 . 2]" 2 31 1 50 TRP O 1 54 HIS N 2.700 2.700 3.300 3.010 2.765 3.228 . 0 0 "[ . 1 . 2]" 2 32 1 50 TRP O 1 54 HIS H 1.700 . 2.300 2.104 1.821 2.324 0.024 20 0 "[ . 1 . 2]" 2 33 1 51 VAL O 1 55 GLU N 2.700 2.700 3.300 2.937 2.702 3.223 . 0 0 "[ . 1 . 2]" 2 34 1 51 VAL O 1 55 GLU H 1.700 . 2.300 2.087 1.875 2.305 0.005 20 0 "[ . 1 . 2]" 2 35 1 52 ARG O 1 56 ARG N 2.700 2.700 3.300 2.979 2.693 3.251 0.007 20 0 "[ . 1 . 2]" 2 36 1 52 ARG O 1 56 ARG H 1.700 . 2.300 2.093 1.729 2.377 0.077 7 0 "[ . 1 . 2]" 2 37 1 53 GLN O 1 57 ASP N 2.700 2.700 3.300 2.901 2.698 3.250 0.002 15 0 "[ . 1 . 2]" 2 38 1 53 GLN O 1 57 ASP H 1.700 . 2.300 2.073 1.771 2.327 0.027 4 0 "[ . 1 . 2]" 2 stop_ save_
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