NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
595207 | 5aas | 25735 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_5aas 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 1347 _Distance_constraint_stats_list.Viol_count 1621 _Distance_constraint_stats_list.Viol_total 651.819 _Distance_constraint_stats_list.Viol_max 0.081 _Distance_constraint_stats_list.Viol_rms 0.0063 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0012 _Distance_constraint_stats_list.Viol_average_violations_only 0.0201 _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 4 PHE 0.000 0.000 . 0 "[ . 1 . 2]" 1 5 ASP 0.020 0.020 16 0 "[ . 1 . 2]" 1 6 VAL 0.263 0.079 1 0 "[ . 1 . 2]" 1 7 HIS 0.296 0.027 18 0 "[ . 1 . 2]" 1 8 LYS 0.065 0.013 7 0 "[ . 1 . 2]" 1 9 LYS 0.004 0.003 10 0 "[ . 1 . 2]" 1 10 CYS 0.459 0.038 19 0 "[ . 1 . 2]" 1 11 PRO 0.981 0.043 7 0 "[ . 1 . 2]" 1 12 LEU 1.957 0.040 20 0 "[ . 1 . 2]" 1 13 CYS 0.215 0.017 4 0 "[ . 1 . 2]" 1 14 GLU 0.001 0.001 19 0 "[ . 1 . 2]" 1 15 LEU 0.241 0.020 17 0 "[ . 1 . 2]" 1 16 MET 0.003 0.003 12 0 "[ . 1 . 2]" 1 17 PHE 1.459 0.045 7 0 "[ . 1 . 2]" 1 18 PRO 0.088 0.007 17 0 "[ . 1 . 2]" 1 19 PRO 0.000 0.000 . 0 "[ . 1 . 2]" 1 20 ASN 0.000 0.000 . 0 "[ . 1 . 2]" 1 21 TYR 1.828 0.051 9 0 "[ . 1 . 2]" 1 22 ASP 0.000 0.000 . 0 "[ . 1 . 2]" 1 23 GLN 1.387 0.051 9 0 "[ . 1 . 2]" 1 24 SER 0.651 0.036 15 0 "[ . 1 . 2]" 1 25 LYS 0.780 0.039 20 0 "[ . 1 . 2]" 1 26 PHE 2.412 0.047 12 0 "[ . 1 . 2]" 1 27 GLU 0.563 0.033 17 0 "[ . 1 . 2]" 1 28 GLU 1.555 0.042 17 0 "[ . 1 . 2]" 1 29 HIS 3.872 0.080 15 0 "[ . 1 . 2]" 1 30 VAL 2.968 0.053 8 0 "[ . 1 . 2]" 1 31 GLU 0.575 0.065 12 0 "[ . 1 . 2]" 1 32 SER 0.008 0.008 11 0 "[ . 1 . 2]" 1 33 HIS 3.173 0.080 15 0 "[ . 1 . 2]" 1 34 TRP 2.430 0.044 12 0 "[ . 1 . 2]" 1 35 LYS 1.438 0.039 16 0 "[ . 1 . 2]" 1 36 VAL 1.927 0.081 17 0 "[ . 1 . 2]" 1 37 CYS 3.318 0.081 17 0 "[ . 1 . 2]" 1 38 PRO 0.299 0.022 12 0 "[ . 1 . 2]" 1 39 MET 0.520 0.020 19 0 "[ . 1 . 2]" 1 40 CYS 1.001 0.059 6 0 "[ . 1 . 2]" 1 41 SER 0.204 0.028 15 0 "[ . 1 . 2]" 1 42 GLU 1.842 0.063 1 0 "[ . 1 . 2]" 1 43 GLN 0.465 0.046 15 0 "[ . 1 . 2]" 1 44 PHE 2.218 0.063 1 0 "[ . 1 . 2]" 1 45 PRO 0.493 0.032 13 0 "[ . 1 . 2]" 1 46 PRO 0.773 0.030 15 0 "[ . 1 . 2]" 1 47 ASP 0.007 0.006 15 0 "[ . 1 . 2]" 1 48 TYR 0.324 0.017 17 0 "[ . 1 . 2]" 1 49 ASP 0.000 0.000 . 0 "[ . 1 . 2]" 1 50 GLN 0.473 0.025 12 0 "[ . 1 . 2]" 1 51 GLN 0.077 0.014 4 0 "[ . 1 . 2]" 1 52 VAL 0.233 0.020 5 0 "[ . 1 . 2]" 1 53 PHE 3.249 0.062 18 0 "[ . 1 . 2]" 1 54 GLU 1.115 0.049 19 0 "[ . 1 . 2]" 1 55 ARG 0.408 0.049 19 0 "[ . 1 . 2]" 1 56 HIS 3.124 0.058 16 0 "[ . 1 . 2]" 1 57 VAL 3.318 0.066 2 0 "[ . 1 . 2]" 1 58 GLN 1.004 0.042 1 0 "[ . 1 . 2]" 1 59 THR 2.093 0.081 19 0 "[ . 1 . 2]" 1 60 HIS 5.184 0.081 19 0 "[ . 1 . 2]" 1 61 PHE 0.680 0.042 1 0 "[ . 1 . 2]" 1 62 ASP 0.035 0.019 7 0 "[ . 1 . 2]" 1 63 GLN 0.000 0.000 . 0 "[ . 1 . 2]" 1 64 ASN 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 4 PHE H 1 4 PHE QD 5.000 . 6.000 3.371 1.999 4.516 . 0 0 "[ . 1 . 2]" 1 2 1 4 PHE HA 1 4 PHE QD 4.000 . 4.750 2.846 2.242 3.725 . 0 0 "[ . 1 . 2]" 1 3 1 6 VAL H 1 6 VAL HB 3.000 . 3.500 2.952 2.620 3.579 0.079 1 0 "[ . 1 . 2]" 1 4 1 6 VAL H 1 6 VAL QG 4.000 . 4.750 2.263 1.866 2.714 . 0 0 "[ . 1 . 2]" 1 5 1 6 VAL HA 1 6 VAL HB 3.000 . 3.500 2.750 2.443 3.021 . 0 0 "[ . 1 . 2]" 1 6 1 7 HIS H 1 7 HIS HD2 5.000 . 6.000 4.297 3.877 4.587 . 0 0 "[ . 1 . 2]" 1 7 1 7 HIS HA 1 7 HIS HD2 4.000 . 4.750 2.083 2.035 2.171 . 0 0 "[ . 1 . 2]" 1 8 1 7 HIS HA 1 7 HIS HB3 3.000 . 3.500 2.674 2.598 2.718 . 0 0 "[ . 1 . 2]" 1 9 1 7 HIS HB3 1 7 HIS HD2 3.000 . 3.500 3.510 3.479 3.527 0.027 18 0 "[ . 1 . 2]" 1 10 1 7 HIS HB2 1 7 HIS HD2 4.000 . 4.750 3.845 3.826 3.869 . 0 0 "[ . 1 . 2]" 1 11 1 8 LYS H 1 8 LYS HB3 4.000 . 4.750 3.539 3.458 3.592 . 0 0 "[ . 1 . 2]" 1 12 1 8 LYS H 1 8 LYS HB2 4.000 . 4.750 2.276 2.170 2.361 . 0 0 "[ . 1 . 2]" 1 13 1 8 LYS H 1 8 LYS QD 5.000 . 6.000 4.192 3.599 4.907 . 0 0 "[ . 1 . 2]" 1 14 1 8 LYS HA 1 8 LYS QD 4.000 . 4.750 3.885 2.794 4.155 . 0 0 "[ . 1 . 2]" 1 15 1 8 LYS HB3 1 8 LYS QD 3.000 . 3.500 2.338 2.021 2.723 . 0 0 "[ . 1 . 2]" 1 16 1 8 LYS HB3 1 8 LYS QE 4.000 . 4.750 3.151 2.245 4.031 . 0 0 "[ . 1 . 2]" 1 17 1 8 LYS HB2 1 8 LYS QD 3.000 . 3.500 2.551 2.224 3.272 . 0 0 "[ . 1 . 2]" 1 18 1 8 LYS HB2 1 8 LYS QE 4.000 . 4.750 3.782 2.250 4.159 . 0 0 "[ . 1 . 2]" 1 19 1 8 LYS QE 1 8 LYS QG 3.000 . 3.500 2.162 1.949 2.472 . 0 0 "[ . 1 . 2]" 1 20 1 9 LYS H 1 9 LYS QG 4.000 . 4.750 3.849 3.235 4.109 . 0 0 "[ . 1 . 2]" 1 21 1 9 LYS H 1 9 LYS QD 4.000 . 4.750 4.566 4.168 4.732 . 0 0 "[ . 1 . 2]" 1 22 1 9 LYS HA 1 9 LYS QD 4.000 . 4.750 3.686 2.538 4.083 . 0 0 "[ . 1 . 2]" 1 23 1 9 LYS QB 1 9 LYS QD 3.000 . 3.500 2.078 1.935 2.186 . 0 0 "[ . 1 . 2]" 1 24 1 9 LYS QB 1 9 LYS QE 3.000 . 3.500 3.213 2.488 3.503 0.003 10 0 "[ . 1 . 2]" 1 25 1 9 LYS QE 1 9 LYS QG 3.000 . 3.500 2.068 1.961 2.184 . 0 0 "[ . 1 . 2]" 1 26 1 10 CYS H 1 10 CYS HB3 4.000 . 4.750 2.346 2.277 2.401 . 0 0 "[ . 1 . 2]" 1 27 1 10 CYS H 1 10 CYS HB2 4.000 . 4.750 2.764 2.700 2.851 . 0 0 "[ . 1 . 2]" 1 28 1 12 LEU H 1 12 LEU HB3 4.000 . 4.750 3.710 3.577 3.859 . 0 0 "[ . 1 . 2]" 1 29 1 12 LEU H 1 12 LEU HB2 4.000 . 4.750 2.567 2.345 2.800 . 0 0 "[ . 1 . 2]" 1 30 1 12 LEU H 1 12 LEU HG 5.000 . 6.000 3.045 2.461 3.503 . 0 0 "[ . 1 . 2]" 1 31 1 12 LEU H 1 12 LEU MD1 5.000 . 6.000 3.408 3.171 3.615 . 0 0 "[ . 1 . 2]" 1 32 1 12 LEU H 1 12 LEU MD2 5.000 . 6.000 4.249 3.823 4.573 . 0 0 "[ . 1 . 2]" 1 33 1 12 LEU HA 1 12 LEU HB3 3.000 . 3.500 2.510 2.449 2.548 . 0 0 "[ . 1 . 2]" 1 34 1 12 LEU HA 1 12 LEU HG 4.000 . 4.750 2.608 2.520 2.735 . 0 0 "[ . 1 . 2]" 1 35 1 12 LEU HA 1 12 LEU MD1 4.000 . 4.750 3.835 3.805 3.878 . 0 0 "[ . 1 . 2]" 1 36 1 12 LEU HA 1 12 LEU MD2 4.000 . 4.750 2.670 2.361 2.907 . 0 0 "[ . 1 . 2]" 1 37 1 12 LEU HB3 1 12 LEU MD1 3.000 . 3.500 2.752 2.634 2.842 . 0 0 "[ . 1 . 2]" 1 38 1 12 LEU HB2 1 12 LEU HG 3.000 . 3.500 2.713 2.629 2.802 . 0 0 "[ . 1 . 2]" 1 39 1 13 CYS H 1 13 CYS HB3 4.000 . 4.750 3.245 2.887 3.369 . 0 0 "[ . 1 . 2]" 1 40 1 13 CYS H 1 13 CYS HB2 4.000 . 4.750 3.885 3.698 3.958 . 0 0 "[ . 1 . 2]" 1 41 1 14 GLU H 1 14 GLU QG 4.000 . 4.750 3.209 2.550 4.128 . 0 0 "[ . 1 . 2]" 1 42 1 14 GLU HA 1 14 GLU QB 2.500 . 2.800 2.411 2.293 2.526 . 0 0 "[ . 1 . 2]" 1 43 1 14 GLU HA 1 14 GLU QG 3.000 . 3.500 2.372 2.025 2.601 . 0 0 "[ . 1 . 2]" 1 44 1 15 LEU H 1 15 LEU HB3 4.000 . 4.750 2.998 2.815 3.056 . 0 0 "[ . 1 . 2]" 1 45 1 15 LEU H 1 15 LEU HB2 4.000 . 4.750 2.444 2.359 2.583 . 0 0 "[ . 1 . 2]" 1 46 1 15 LEU H 1 15 LEU HG 5.000 . 6.000 4.632 4.469 4.723 . 0 0 "[ . 1 . 2]" 1 47 1 15 LEU HA 1 15 LEU HB2 3.000 . 3.500 2.724 2.632 2.750 . 0 0 "[ . 1 . 2]" 1 48 1 15 LEU HA 1 15 LEU HG 4.000 . 4.750 2.670 2.238 3.647 . 0 0 "[ . 1 . 2]" 1 49 1 15 LEU HA 1 15 LEU QD 4.000 . 4.750 2.138 1.916 2.753 . 0 0 "[ . 1 . 2]" 1 50 1 15 LEU HB3 1 15 LEU HG 3.000 . 3.500 2.541 2.439 3.006 . 0 0 "[ . 1 . 2]" 1 51 1 15 LEU HB2 1 15 LEU HG 3.000 . 3.500 2.927 2.389 3.022 . 0 0 "[ . 1 . 2]" 1 52 1 16 MET H 1 16 MET QG 4.000 . 4.750 3.288 2.506 4.190 . 0 0 "[ . 1 . 2]" 1 53 1 16 MET HA 1 16 MET ME 5.000 . 6.000 3.943 2.943 4.487 . 0 0 "[ . 1 . 2]" 1 54 1 16 MET QB 1 16 MET ME 4.000 . 4.750 2.965 1.965 3.640 . 0 0 "[ . 1 . 2]" 1 55 1 17 PHE H 1 17 PHE HB3 4.000 . 4.750 3.692 3.679 3.722 . 0 0 "[ . 1 . 2]" 1 56 1 17 PHE H 1 17 PHE HB2 4.000 . 4.750 2.494 2.471 2.542 . 0 0 "[ . 1 . 2]" 1 57 1 17 PHE H 1 17 PHE QD 4.000 . 4.750 3.616 3.574 3.660 . 0 0 "[ . 1 . 2]" 1 58 1 17 PHE H 1 17 PHE QE 5.000 . 6.000 5.151 5.092 5.212 . 0 0 "[ . 1 . 2]" 1 59 1 17 PHE HA 1 17 PHE QD 4.000 . 4.750 1.956 1.931 1.983 . 0 0 "[ . 1 . 2]" 1 60 1 17 PHE HA 1 17 PHE QE 5.000 . 6.000 4.252 4.234 4.274 . 0 0 "[ . 1 . 2]" 1 61 1 17 PHE HB3 1 17 PHE QD 3.000 . 3.500 2.746 2.738 2.754 . 0 0 "[ . 1 . 2]" 1 62 1 17 PHE HB2 1 17 PHE QD 3.000 . 3.500 2.311 2.302 2.323 . 0 0 "[ . 1 . 2]" 1 63 1 20 ASN H 1 20 ASN HD21 5.000 . 6.000 4.374 3.217 4.936 . 0 0 "[ . 1 . 2]" 1 64 1 20 ASN H 1 20 ASN HD22 5.000 . 6.000 5.188 3.680 5.910 . 0 0 "[ . 1 . 2]" 1 65 1 20 ASN HA 1 20 ASN HD22 5.000 . 6.000 4.348 3.432 5.289 . 0 0 "[ . 1 . 2]" 1 66 1 21 TYR H 1 21 TYR HB3 4.000 . 4.750 2.623 2.592 2.681 . 0 0 "[ . 1 . 2]" 1 67 1 21 TYR H 1 21 TYR HB2 4.000 . 4.750 2.465 2.404 2.503 . 0 0 "[ . 1 . 2]" 1 68 1 21 TYR H 1 21 TYR QD 4.000 . 4.750 4.195 4.168 4.206 . 0 0 "[ . 1 . 2]" 1 69 1 21 TYR HA 1 21 TYR QD 3.000 . 3.500 2.993 2.900 3.064 . 0 0 "[ . 1 . 2]" 1 70 1 21 TYR HA 1 21 TYR QE 5.000 . 6.000 4.625 4.577 4.652 . 0 0 "[ . 1 . 2]" 1 71 1 21 TYR HB3 1 21 TYR QD 3.000 . 3.500 2.424 2.382 2.464 . 0 0 "[ . 1 . 2]" 1 72 1 21 TYR HB3 1 21 TYR QE 4.000 . 4.750 4.421 4.410 4.430 . 0 0 "[ . 1 . 2]" 1 73 1 21 TYR HB2 1 21 TYR QD 3.000 . 3.500 2.373 2.340 2.410 . 0 0 "[ . 1 . 2]" 1 74 1 21 TYR HB2 1 21 TYR QE 4.000 . 4.750 4.408 4.398 4.419 . 0 0 "[ . 1 . 2]" 1 75 1 23 GLN H 1 23 GLN QB 3.000 . 3.500 2.173 2.039 2.471 . 0 0 "[ . 1 . 2]" 1 76 1 23 GLN H 1 23 GLN QG 4.000 . 4.750 3.336 2.363 4.017 . 0 0 "[ . 1 . 2]" 1 77 1 23 GLN HA 1 23 GLN QG 3.000 . 3.500 2.350 2.067 3.360 . 0 0 "[ . 1 . 2]" 1 78 1 23 GLN HE21 1 23 GLN QG 3.000 . 3.500 2.374 2.097 2.688 . 0 0 "[ . 1 . 2]" 1 79 1 23 GLN HE22 1 23 GLN QG 3.000 . 3.500 3.326 3.218 3.450 . 0 0 "[ . 1 . 2]" 1 80 1 24 SER H 1 24 SER HA 3.000 . 3.500 2.780 2.777 2.800 . 0 0 "[ . 1 . 2]" 1 81 1 24 SER H 1 24 SER QB 3.000 . 3.500 2.654 2.199 2.832 . 0 0 "[ . 1 . 2]" 1 82 1 25 LYS H 1 25 LYS HA 3.000 . 3.500 2.833 2.827 2.842 . 0 0 "[ . 1 . 2]" 1 83 1 25 LYS H 1 25 LYS QG 4.000 . 4.750 2.989 2.369 3.544 . 0 0 "[ . 1 . 2]" 1 84 1 25 LYS H 1 25 LYS QD 4.000 . 4.750 3.909 2.897 4.748 . 0 0 "[ . 1 . 2]" 1 85 1 25 LYS HA 1 25 LYS QG 3.000 . 3.500 2.266 2.016 2.464 . 0 0 "[ . 1 . 2]" 1 86 1 25 LYS HA 1 25 LYS QD 4.000 . 4.750 3.618 2.121 4.169 . 0 0 "[ . 1 . 2]" 1 87 1 25 LYS QB 1 25 LYS QD 3.000 . 3.500 2.125 1.929 2.453 . 0 0 "[ . 1 . 2]" 1 88 1 25 LYS QB 1 25 LYS QE 4.000 . 4.750 3.193 2.302 3.684 . 0 0 "[ . 1 . 2]" 1 89 1 26 PHE H 1 26 PHE HA 3.000 . 3.500 2.830 2.825 2.837 . 0 0 "[ . 1 . 2]" 1 90 1 26 PHE H 1 26 PHE HB3 4.000 . 4.750 2.554 2.525 2.585 . 0 0 "[ . 1 . 2]" 1 91 1 26 PHE H 1 26 PHE HB2 4.000 . 4.750 2.508 2.481 2.544 . 0 0 "[ . 1 . 2]" 1 92 1 26 PHE H 1 26 PHE QD 4.000 . 4.750 4.169 4.158 4.177 . 0 0 "[ . 1 . 2]" 1 93 1 26 PHE HA 1 26 PHE HB2 3.000 . 3.500 2.489 2.467 2.508 . 0 0 "[ . 1 . 2]" 1 94 1 26 PHE HA 1 26 PHE QD 3.000 . 3.500 2.263 2.198 2.332 . 0 0 "[ . 1 . 2]" 1 95 1 26 PHE HA 1 26 PHE QE 5.000 . 6.000 4.397 4.366 4.435 . 0 0 "[ . 1 . 2]" 1 96 1 26 PHE HB3 1 26 PHE QD 3.000 . 3.500 2.272 2.267 2.275 . 0 0 "[ . 1 . 2]" 1 97 1 26 PHE HB2 1 26 PHE QD 3.000 . 3.500 2.646 2.619 2.668 . 0 0 "[ . 1 . 2]" 1 98 1 27 GLU H 1 27 GLU HA 3.000 . 3.500 2.812 2.811 2.814 . 0 0 "[ . 1 . 2]" 1 99 1 27 GLU H 1 27 GLU QB 3.000 . 3.500 2.205 2.051 2.371 . 0 0 "[ . 1 . 2]" 1 100 1 27 GLU H 1 27 GLU QG 4.000 . 4.750 2.813 2.350 3.492 . 0 0 "[ . 1 . 2]" 1 101 1 27 GLU HA 1 27 GLU QG 3.000 . 3.500 2.331 2.064 2.879 . 0 0 "[ . 1 . 2]" 1 102 1 28 GLU H 1 28 GLU HA 3.000 . 3.500 2.828 2.803 2.846 . 0 0 "[ . 1 . 2]" 1 103 1 28 GLU H 1 28 GLU QB 3.000 . 3.500 2.187 2.044 2.428 . 0 0 "[ . 1 . 2]" 1 104 1 28 GLU H 1 28 GLU QG 3.000 . 3.500 2.882 2.209 3.502 0.002 16 0 "[ . 1 . 2]" 1 105 1 28 GLU HA 1 28 GLU QG 3.000 . 3.500 2.264 2.054 2.805 . 0 0 "[ . 1 . 2]" 1 106 1 29 HIS H 1 29 HIS HA 3.000 . 3.500 2.832 2.823 2.847 . 0 0 "[ . 1 . 2]" 1 107 1 29 HIS H 1 29 HIS HB3 3.000 . 3.500 2.174 2.159 2.196 . 0 0 "[ . 1 . 2]" 1 108 1 29 HIS H 1 29 HIS HB2 3.000 . 3.500 2.914 2.877 2.950 . 0 0 "[ . 1 . 2]" 1 109 1 29 HIS H 1 29 HIS HD2 4.000 . 4.750 4.477 4.413 4.539 . 0 0 "[ . 1 . 2]" 1 110 1 29 HIS HA 1 29 HIS HB2 3.000 . 3.500 2.311 2.302 2.322 . 0 0 "[ . 1 . 2]" 1 111 1 29 HIS HA 1 29 HIS HD2 4.000 . 4.750 4.508 4.461 4.541 . 0 0 "[ . 1 . 2]" 1 112 1 29 HIS HB3 1 29 HIS HD2 4.000 . 4.750 2.814 2.790 2.833 . 0 0 "[ . 1 . 2]" 1 113 1 29 HIS HB2 1 29 HIS HD2 4.000 . 4.750 3.899 3.886 3.909 . 0 0 "[ . 1 . 2]" 1 114 1 30 VAL H 1 30 VAL HB 3.000 . 3.500 2.523 2.465 2.559 . 0 0 "[ . 1 . 2]" 1 115 1 30 VAL H 1 30 VAL MG2 4.000 . 4.750 2.104 2.013 2.382 . 0 0 "[ . 1 . 2]" 1 116 1 31 GLU H 1 31 GLU HA 3.000 . 3.500 2.846 2.822 2.851 . 0 0 "[ . 1 . 2]" 1 117 1 31 GLU H 1 31 GLU QB 3.000 . 3.500 2.346 2.239 2.448 . 0 0 "[ . 1 . 2]" 1 118 1 31 GLU H 1 31 GLU QG 3.000 . 3.500 2.483 2.197 2.716 . 0 0 "[ . 1 . 2]" 1 119 1 31 GLU HA 1 31 GLU QG 3.000 . 3.500 2.584 2.200 3.400 . 0 0 "[ . 1 . 2]" 1 120 1 32 SER H 1 32 SER HA 3.000 . 3.500 2.786 2.783 2.793 . 0 0 "[ . 1 . 2]" 1 121 1 32 SER H 1 32 SER QB 3.000 . 3.500 2.188 2.052 2.543 . 0 0 "[ . 1 . 2]" 1 122 1 33 HIS H 1 33 HIS HB3 4.000 . 4.750 3.617 3.608 3.642 . 0 0 "[ . 1 . 2]" 1 123 1 33 HIS H 1 33 HIS HB2 3.000 . 3.500 2.628 2.522 2.677 . 0 0 "[ . 1 . 2]" 1 124 1 33 HIS H 1 33 HIS HD2 3.000 . 3.500 2.603 2.448 2.872 . 0 0 "[ . 1 . 2]" 1 125 1 33 HIS HA 1 33 HIS HD2 4.000 . 4.750 4.469 4.403 4.521 . 0 0 "[ . 1 . 2]" 1 126 1 33 HIS HB3 1 33 HIS HD2 4.000 . 4.750 3.847 3.806 3.878 . 0 0 "[ . 1 . 2]" 1 127 1 33 HIS HB2 1 33 HIS HD2 3.000 . 3.500 2.736 2.700 2.771 . 0 0 "[ . 1 . 2]" 1 128 1 34 TRP H 1 34 TRP HD1 3.000 . 3.500 2.454 2.388 2.541 . 0 0 "[ . 1 . 2]" 1 129 1 34 TRP H 1 34 TRP HE3 5.000 . 6.000 5.472 5.425 5.500 . 0 0 "[ . 1 . 2]" 1 130 1 34 TRP H 1 34 TRP QB 3.000 . 3.500 2.285 2.268 2.300 . 0 0 "[ . 1 . 2]" 1 131 1 34 TRP HA 1 34 TRP HD1 4.000 . 4.750 2.674 2.629 2.735 . 0 0 "[ . 1 . 2]" 1 132 1 34 TRP HA 1 34 TRP HE1 5.000 . 6.000 4.747 4.722 4.818 . 0 0 "[ . 1 . 2]" 1 133 1 34 TRP HA 1 34 TRP HE3 4.000 . 4.750 4.765 4.735 4.790 0.040 10 0 "[ . 1 . 2]" 1 134 1 34 TRP QB 1 34 TRP HD1 3.000 . 3.500 3.119 3.101 3.139 . 0 0 "[ . 1 . 2]" 1 135 1 34 TRP QB 1 34 TRP HE3 3.000 . 3.500 2.465 2.458 2.473 . 0 0 "[ . 1 . 2]" 1 136 1 35 LYS H 1 35 LYS HA 3.000 . 3.500 2.907 2.896 2.916 . 0 0 "[ . 1 . 2]" 1 137 1 35 LYS H 1 35 LYS HB3 4.000 . 4.750 3.519 3.439 3.550 . 0 0 "[ . 1 . 2]" 1 138 1 35 LYS H 1 35 LYS HB2 4.000 . 4.750 2.232 2.170 2.270 . 0 0 "[ . 1 . 2]" 1 139 1 35 LYS H 1 35 LYS QG 4.000 . 4.750 3.153 3.018 3.405 . 0 0 "[ . 1 . 2]" 1 140 1 35 LYS H 1 35 LYS QD 4.000 . 4.750 3.277 3.161 3.506 . 0 0 "[ . 1 . 2]" 1 141 1 35 LYS HA 1 35 LYS QG 3.000 . 3.500 2.245 2.140 2.320 . 0 0 "[ . 1 . 2]" 1 142 1 35 LYS HA 1 35 LYS QD 4.000 . 4.750 3.871 3.782 3.988 . 0 0 "[ . 1 . 2]" 1 143 1 35 LYS HB3 1 35 LYS QD 3.000 . 3.500 2.814 2.633 2.889 . 0 0 "[ . 1 . 2]" 1 144 1 35 LYS HB2 1 35 LYS QD 3.000 . 3.500 2.117 2.030 2.240 . 0 0 "[ . 1 . 2]" 1 145 1 36 VAL H 1 36 VAL HB 3.000 . 3.500 2.713 2.683 2.739 . 0 0 "[ . 1 . 2]" 1 146 1 36 VAL H 1 36 VAL MG2 4.000 . 4.750 2.686 2.550 2.763 . 0 0 "[ . 1 . 2]" 1 147 1 37 CYS H 1 37 CYS HA 3.000 . 3.500 2.874 2.862 2.884 . 0 0 "[ . 1 . 2]" 1 148 1 37 CYS H 1 37 CYS HB3 3.000 . 3.500 2.512 2.489 2.550 . 0 0 "[ . 1 . 2]" 1 149 1 37 CYS H 1 37 CYS HB2 3.000 . 3.500 2.586 2.549 2.633 . 0 0 "[ . 1 . 2]" 1 150 1 39 MET H 1 39 MET ME 5.000 . 6.000 4.150 3.909 4.367 . 0 0 "[ . 1 . 2]" 1 151 1 39 MET H 1 39 MET HB3 4.000 . 4.750 3.618 3.606 3.629 . 0 0 "[ . 1 . 2]" 1 152 1 39 MET H 1 39 MET HB2 3.000 . 3.500 2.432 2.374 2.512 . 0 0 "[ . 1 . 2]" 1 153 1 39 MET H 1 39 MET QG 4.000 . 4.750 2.524 2.380 2.655 . 0 0 "[ . 1 . 2]" 1 154 1 39 MET HA 1 39 MET ME 5.000 . 6.000 3.661 3.551 3.809 . 0 0 "[ . 1 . 2]" 1 155 1 39 MET HA 1 39 MET HB3 3.000 . 3.500 2.490 2.438 2.534 . 0 0 "[ . 1 . 2]" 1 156 1 40 CYS H 1 40 CYS HB3 4.000 . 4.750 3.095 3.087 3.107 . 0 0 "[ . 1 . 2]" 1 157 1 40 CYS H 1 40 CYS HB2 4.000 . 4.750 3.855 3.842 3.866 . 0 0 "[ . 1 . 2]" 1 158 1 40 CYS HA 1 40 CYS HB2 3.000 . 3.500 2.404 2.396 2.415 . 0 0 "[ . 1 . 2]" 1 159 1 41 SER H 1 41 SER HA 3.000 . 3.500 2.300 2.285 2.363 . 0 0 "[ . 1 . 2]" 1 160 1 41 SER H 1 41 SER QB 3.000 . 3.500 3.224 3.112 3.520 0.020 1 0 "[ . 1 . 2]" 1 161 1 42 GLU H 1 42 GLU HA 3.000 . 3.500 2.913 2.892 2.932 . 0 0 "[ . 1 . 2]" 1 162 1 42 GLU H 1 42 GLU QB 3.000 . 3.500 2.214 2.121 2.374 . 0 0 "[ . 1 . 2]" 1 163 1 42 GLU H 1 42 GLU QG 4.000 . 4.750 3.740 3.300 4.081 . 0 0 "[ . 1 . 2]" 1 164 1 42 GLU HA 1 42 GLU QG 3.000 . 3.500 2.201 2.044 2.541 . 0 0 "[ . 1 . 2]" 1 165 1 43 GLN H 1 43 GLN QB 3.000 . 3.500 2.290 2.249 2.868 . 0 0 "[ . 1 . 2]" 1 166 1 43 GLN H 1 43 GLN QG 4.000 . 4.750 3.434 2.127 3.642 . 0 0 "[ . 1 . 2]" 1 167 1 44 PHE H 1 44 PHE HB3 4.000 . 4.750 3.755 3.752 3.777 . 0 0 "[ . 1 . 2]" 1 168 1 44 PHE H 1 44 PHE HB2 4.000 . 4.750 2.612 2.600 2.722 . 0 0 "[ . 1 . 2]" 1 169 1 44 PHE H 1 44 PHE QD 4.000 . 4.750 2.683 2.059 2.852 . 0 0 "[ . 1 . 2]" 1 170 1 44 PHE H 1 44 PHE QE 5.000 . 6.000 4.733 4.240 4.822 . 0 0 "[ . 1 . 2]" 1 171 1 44 PHE HA 1 44 PHE QD 4.000 . 4.750 2.981 2.864 3.245 . 0 0 "[ . 1 . 2]" 1 172 1 44 PHE HA 1 44 PHE QE 5.000 . 6.000 4.665 4.616 4.866 . 0 0 "[ . 1 . 2]" 1 173 1 44 PHE HB3 1 44 PHE QD 3.000 . 3.500 2.364 2.281 2.409 . 0 0 "[ . 1 . 2]" 1 174 1 44 PHE HB2 1 44 PHE QD 3.000 . 3.500 2.415 2.368 2.560 . 0 0 "[ . 1 . 2]" 1 175 1 47 ASP H 1 47 ASP QB 3.000 . 3.500 2.279 2.104 2.713 . 0 0 "[ . 1 . 2]" 1 176 1 48 TYR H 1 48 TYR HA 3.000 . 3.500 2.824 2.797 2.865 . 0 0 "[ . 1 . 2]" 1 177 1 48 TYR H 1 48 TYR HB3 4.000 . 4.750 2.961 2.894 3.025 . 0 0 "[ . 1 . 2]" 1 178 1 48 TYR H 1 48 TYR HB2 3.000 . 3.500 2.179 2.147 2.225 . 0 0 "[ . 1 . 2]" 1 179 1 48 TYR H 1 48 TYR QD 4.000 . 4.750 3.863 3.777 3.966 . 0 0 "[ . 1 . 2]" 1 180 1 48 TYR HA 1 48 TYR QD 3.000 . 3.500 2.765 2.527 2.956 . 0 0 "[ . 1 . 2]" 1 181 1 48 TYR HA 1 48 TYR QE 5.000 . 6.000 4.415 4.327 4.501 . 0 0 "[ . 1 . 2]" 1 182 1 48 TYR HB3 1 48 TYR QD 3.000 . 3.500 2.330 2.285 2.393 . 0 0 "[ . 1 . 2]" 1 183 1 48 TYR HB2 1 48 TYR QD 3.000 . 3.500 2.488 2.401 2.583 . 0 0 "[ . 1 . 2]" 1 184 1 49 ASP H 1 49 ASP QB 3.000 . 3.500 2.184 2.065 2.390 . 0 0 "[ . 1 . 2]" 1 185 1 50 GLN H 1 50 GLN QB 3.000 . 3.500 2.183 2.037 2.249 . 0 0 "[ . 1 . 2]" 1 186 1 50 GLN H 1 50 GLN QG 4.000 . 4.750 3.737 2.871 4.030 . 0 0 "[ . 1 . 2]" 1 187 1 50 GLN HA 1 50 GLN HE21 5.000 . 6.000 3.568 2.500 4.671 . 0 0 "[ . 1 . 2]" 1 188 1 50 GLN HA 1 50 GLN HE22 4.000 . 4.750 4.522 3.916 4.760 0.010 17 0 "[ . 1 . 2]" 1 189 1 50 GLN HA 1 50 GLN QG 3.000 . 3.500 2.420 2.005 3.122 . 0 0 "[ . 1 . 2]" 1 190 1 50 GLN QB 1 50 GLN HE22 4.000 . 4.750 3.955 3.381 4.341 . 0 0 "[ . 1 . 2]" 1 191 1 50 GLN HE22 1 50 GLN QG 3.000 . 3.500 3.255 3.218 3.374 . 0 0 "[ . 1 . 2]" 1 192 1 51 GLN H 1 51 GLN HA 3.000 . 3.500 2.803 2.796 2.808 . 0 0 "[ . 1 . 2]" 1 193 1 51 GLN H 1 51 GLN QB 3.000 . 3.500 2.202 2.040 2.536 . 0 0 "[ . 1 . 2]" 1 194 1 51 GLN H 1 51 GLN QG 4.000 . 4.750 3.365 1.987 4.058 . 0 0 "[ . 1 . 2]" 1 195 1 51 GLN HA 1 51 GLN QG 3.000 . 3.500 2.305 2.002 2.695 . 0 0 "[ . 1 . 2]" 1 196 1 51 GLN QB 1 51 GLN HE22 4.000 . 4.750 3.770 3.251 4.286 . 0 0 "[ . 1 . 2]" 1 197 1 52 VAL H 1 52 VAL HA 3.000 . 3.500 2.831 2.825 2.838 . 0 0 "[ . 1 . 2]" 1 198 1 52 VAL H 1 52 VAL HB 3.000 . 3.500 2.636 2.601 2.689 . 0 0 "[ . 1 . 2]" 1 199 1 52 VAL H 1 52 VAL MG1 4.000 . 4.750 3.768 3.764 3.771 . 0 0 "[ . 1 . 2]" 1 200 1 52 VAL H 1 52 VAL MG2 4.000 . 4.750 2.010 1.935 2.152 . 0 0 "[ . 1 . 2]" 1 201 1 52 VAL HA 1 52 VAL MG1 3.000 . 3.500 2.334 2.259 2.395 . 0 0 "[ . 1 . 2]" 1 202 1 52 VAL HA 1 52 VAL MG2 3.000 . 3.500 2.464 2.390 2.506 . 0 0 "[ . 1 . 2]" 1 203 1 53 PHE H 1 53 PHE HB3 3.000 . 3.500 2.384 2.363 2.397 . 0 0 "[ . 1 . 2]" 1 204 1 53 PHE H 1 53 PHE HB2 3.000 . 3.500 2.711 2.685 2.743 . 0 0 "[ . 1 . 2]" 1 205 1 53 PHE H 1 53 PHE QD 4.000 . 4.750 4.175 4.166 4.182 . 0 0 "[ . 1 . 2]" 1 206 1 53 PHE HA 1 53 PHE HB2 3.000 . 3.500 2.394 2.386 2.399 . 0 0 "[ . 1 . 2]" 1 207 1 53 PHE HA 1 53 PHE QD 3.000 . 3.500 2.274 2.238 2.329 . 0 0 "[ . 1 . 2]" 1 208 1 53 PHE HA 1 53 PHE QE 5.000 . 6.000 4.522 4.491 4.564 . 0 0 "[ . 1 . 2]" 1 209 1 53 PHE HB3 1 53 PHE QD 3.000 . 3.500 2.273 2.266 2.281 . 0 0 "[ . 1 . 2]" 1 210 1 54 GLU H 1 54 GLU HA 3.000 . 3.500 2.777 2.771 2.786 . 0 0 "[ . 1 . 2]" 1 211 1 54 GLU H 1 54 GLU QB 3.000 . 3.500 2.202 2.160 2.353 . 0 0 "[ . 1 . 2]" 1 212 1 54 GLU H 1 54 GLU QG 3.000 . 3.500 2.779 2.431 2.875 . 0 0 "[ . 1 . 2]" 1 213 1 54 GLU HA 1 54 GLU QG 3.000 . 3.500 2.330 2.152 2.673 . 0 0 "[ . 1 . 2]" 1 214 1 55 ARG H 1 55 ARG QB 3.000 . 3.500 2.225 2.058 2.341 . 0 0 "[ . 1 . 2]" 1 215 1 55 ARG H 1 55 ARG QG 3.000 . 3.500 2.785 2.405 3.250 . 0 0 "[ . 1 . 2]" 1 216 1 55 ARG H 1 55 ARG QD 4.000 . 4.750 4.210 3.714 4.676 . 0 0 "[ . 1 . 2]" 1 217 1 55 ARG HA 1 55 ARG QG 3.000 . 3.500 2.918 2.056 3.454 . 0 0 "[ . 1 . 2]" 1 218 1 55 ARG HA 1 55 ARG QD 4.000 . 4.750 3.804 2.638 4.527 . 0 0 "[ . 1 . 2]" 1 219 1 55 ARG QB 1 55 ARG QD 3.000 . 3.500 2.133 1.927 2.398 . 0 0 "[ . 1 . 2]" 1 220 1 56 HIS H 1 56 HIS HA 3.000 . 3.500 2.827 2.803 2.840 . 0 0 "[ . 1 . 2]" 1 221 1 56 HIS H 1 56 HIS HB3 3.000 . 3.500 2.235 2.194 2.281 . 0 0 "[ . 1 . 2]" 1 222 1 56 HIS H 1 56 HIS HB2 3.000 . 3.500 2.870 2.827 2.910 . 0 0 "[ . 1 . 2]" 1 223 1 56 HIS H 1 56 HIS HD2 4.000 . 4.750 4.580 4.494 4.677 . 0 0 "[ . 1 . 2]" 1 224 1 56 HIS HA 1 56 HIS HB2 3.000 . 3.500 2.325 2.314 2.337 . 0 0 "[ . 1 . 2]" 1 225 1 56 HIS HA 1 56 HIS HD2 5.000 . 6.000 4.418 4.397 4.437 . 0 0 "[ . 1 . 2]" 1 226 1 56 HIS HB3 1 56 HIS HD2 3.000 . 3.500 2.839 2.824 2.853 . 0 0 "[ . 1 . 2]" 1 227 1 56 HIS HB2 1 56 HIS HD2 4.000 . 4.750 3.916 3.911 3.923 . 0 0 "[ . 1 . 2]" 1 228 1 57 VAL H 1 57 VAL HA 3.000 . 3.500 2.833 2.822 2.840 . 0 0 "[ . 1 . 2]" 1 229 1 57 VAL H 1 57 VAL HB 3.000 . 3.500 2.969 2.918 3.073 . 0 0 "[ . 1 . 2]" 1 230 1 57 VAL H 1 57 VAL MG2 4.000 . 4.750 1.901 1.863 1.935 . 0 0 "[ . 1 . 2]" 1 231 1 57 VAL HA 1 57 VAL MG2 3.000 . 3.500 2.650 2.610 2.733 . 0 0 "[ . 1 . 2]" 1 232 1 58 GLN H 1 58 GLN HA 3.000 . 3.500 2.825 2.786 2.837 . 0 0 "[ . 1 . 2]" 1 233 1 58 GLN H 1 58 GLN HE21 5.000 . 6.000 4.324 3.154 4.662 . 0 0 "[ . 1 . 2]" 1 234 1 58 GLN H 1 58 GLN QB 3.000 . 3.500 2.256 2.192 2.321 . 0 0 "[ . 1 . 2]" 1 235 1 58 GLN H 1 58 GLN QG 3.000 . 3.500 2.595 2.420 2.760 . 0 0 "[ . 1 . 2]" 1 236 1 58 GLN HA 1 58 GLN HE21 5.000 . 6.000 3.378 2.097 3.658 . 0 0 "[ . 1 . 2]" 1 237 1 58 GLN HA 1 58 GLN QG 3.000 . 3.500 2.723 2.656 2.857 . 0 0 "[ . 1 . 2]" 1 238 1 59 THR H 1 59 THR HA 3.000 . 3.500 2.792 2.784 2.796 . 0 0 "[ . 1 . 2]" 1 239 1 59 THR H 1 59 THR HB 3.000 . 3.500 2.557 2.248 3.565 0.065 10 0 "[ . 1 . 2]" 1 240 1 59 THR H 1 59 THR HG1 5.000 . 6.000 3.263 2.345 4.408 . 0 0 "[ . 1 . 2]" 1 241 1 59 THR H 1 59 THR MG 4.000 . 4.750 3.191 2.107 3.719 . 0 0 "[ . 1 . 2]" 1 242 1 59 THR HA 1 59 THR HB 3.000 . 3.500 2.801 2.375 3.016 . 0 0 "[ . 1 . 2]" 1 243 1 59 THR HA 1 59 THR MG 3.000 . 3.500 2.698 2.453 3.194 . 0 0 "[ . 1 . 2]" 1 244 1 60 HIS H 1 60 HIS HB3 4.000 . 4.750 3.599 3.570 3.610 . 0 0 "[ . 1 . 2]" 1 245 1 60 HIS H 1 60 HIS HB2 3.000 . 3.500 2.405 2.334 2.426 . 0 0 "[ . 1 . 2]" 1 246 1 60 HIS H 1 60 HIS HD2 3.000 . 3.500 3.038 3.018 3.056 . 0 0 "[ . 1 . 2]" 1 247 1 60 HIS HA 1 60 HIS HB3 3.000 . 3.500 2.497 2.481 2.537 . 0 0 "[ . 1 . 2]" 1 248 1 60 HIS HA 1 60 HIS HD2 5.000 . 6.000 4.441 4.356 4.479 . 0 0 "[ . 1 . 2]" 1 249 1 60 HIS HB3 1 60 HIS HD2 4.000 . 4.750 3.795 3.789 3.801 . 0 0 "[ . 1 . 2]" 1 250 1 60 HIS HB2 1 60 HIS HD2 3.000 . 3.500 2.699 2.695 2.703 . 0 0 "[ . 1 . 2]" 1 251 1 61 PHE H 1 61 PHE HB3 4.000 . 4.750 3.609 3.597 3.665 . 0 0 "[ . 1 . 2]" 1 252 1 61 PHE H 1 61 PHE HB2 3.000 . 3.500 2.577 2.520 2.614 . 0 0 "[ . 1 . 2]" 1 253 1 61 PHE H 1 61 PHE QD 4.000 . 4.750 2.742 1.893 3.040 . 0 0 "[ . 1 . 2]" 1 254 1 61 PHE HA 1 61 PHE QD 4.000 . 4.750 2.192 2.039 3.186 . 0 0 "[ . 1 . 2]" 1 255 1 61 PHE HB3 1 61 PHE QD 3.000 . 3.500 2.696 2.285 2.760 . 0 0 "[ . 1 . 2]" 1 256 1 61 PHE HB2 1 61 PHE QD 3.000 . 3.500 2.424 2.354 2.539 . 0 0 "[ . 1 . 2]" 1 257 1 64 ASN H 1 64 ASN HD21 5.000 . 6.000 4.661 3.995 5.351 . 0 0 "[ . 1 . 2]" 1 258 1 64 ASN H 1 64 ASN HD22 5.000 . 6.000 5.416 4.597 5.994 . 0 0 "[ . 1 . 2]" 1 259 1 64 ASN HA 1 64 ASN HD22 5.000 . 6.000 4.009 3.363 4.672 . 0 0 "[ . 1 . 2]" 1 260 1 4 PHE HA 1 5 ASP H 4.000 . 4.750 2.481 2.140 3.571 . 0 0 "[ . 1 . 2]" 1 261 1 4 PHE QB 1 5 ASP H 5.000 . 6.000 3.181 1.988 4.035 . 0 0 "[ . 1 . 2]" 1 262 1 5 ASP HA 1 6 VAL H 3.000 . 3.500 2.448 2.144 3.520 0.020 16 0 "[ . 1 . 2]" 1 263 1 5 ASP QB 1 6 VAL H 4.000 . 4.750 3.230 1.977 4.026 . 0 0 "[ . 1 . 2]" 1 264 1 6 VAL H 1 7 HIS H 4.000 . 4.750 3.079 1.990 4.589 . 0 0 "[ . 1 . 2]" 1 265 1 6 VAL HA 1 7 HIS H 3.000 . 3.500 2.768 2.176 3.495 . 0 0 "[ . 1 . 2]" 1 266 1 6 VAL HB 1 7 HIS H 4.000 . 4.750 3.978 2.853 4.657 . 0 0 "[ . 1 . 2]" 1 267 1 6 VAL QG 1 7 HIS H 5.000 . 6.000 3.424 2.853 3.724 . 0 0 "[ . 1 . 2]" 1 268 1 7 HIS HA 1 8 LYS H 4.000 . 4.750 2.199 2.139 2.308 . 0 0 "[ . 1 . 2]" 1 269 1 7 HIS HB3 1 8 LYS H 4.000 . 4.750 3.157 2.743 3.586 . 0 0 "[ . 1 . 2]" 1 270 1 7 HIS HB2 1 8 LYS H 5.000 . 6.000 4.276 4.040 4.495 . 0 0 "[ . 1 . 2]" 1 271 1 8 LYS HA 1 9 LYS H 3.000 . 3.500 2.145 2.139 2.160 . 0 0 "[ . 1 . 2]" 1 272 1 8 LYS HB3 1 9 LYS H 4.000 . 4.750 3.494 3.260 3.674 . 0 0 "[ . 1 . 2]" 1 273 1 8 LYS HB2 1 9 LYS H 4.000 . 4.750 4.417 4.260 4.496 . 0 0 "[ . 1 . 2]" 1 274 1 8 LYS QG 1 9 LYS H 4.000 . 4.750 3.939 3.697 4.128 . 0 0 "[ . 1 . 2]" 1 275 1 8 LYS QD 1 9 LYS H 5.000 . 6.000 5.136 3.518 5.611 . 0 0 "[ . 1 . 2]" 1 276 1 9 LYS H 1 10 CYS H 5.000 . 6.000 4.349 4.300 4.407 . 0 0 "[ . 1 . 2]" 1 277 1 9 LYS HA 1 10 CYS H 4.000 . 4.750 2.142 2.136 2.165 . 0 0 "[ . 1 . 2]" 1 278 1 9 LYS HA 1 10 CYS HB3 5.000 . 6.000 4.464 4.413 4.529 . 0 0 "[ . 1 . 2]" 1 279 1 9 LYS HA 1 10 CYS HB2 5.000 . 6.000 4.697 4.628 4.753 . 0 0 "[ . 1 . 2]" 1 280 1 9 LYS QB 1 10 CYS H 4.000 . 4.750 3.636 3.377 3.818 . 0 0 "[ . 1 . 2]" 1 281 1 9 LYS QG 1 10 CYS H 5.000 . 6.000 3.248 2.718 4.141 . 0 0 "[ . 1 . 2]" 1 282 1 10 CYS HA 1 11 PRO QD 5.000 . 6.000 1.901 1.782 2.017 0.018 19 0 "[ . 1 . 2]" 1 283 1 10 CYS HB3 1 11 PRO QD 4.000 . 4.750 4.073 3.912 4.258 . 0 0 "[ . 1 . 2]" 1 284 1 10 CYS HB2 1 11 PRO QD 5.000 . 6.000 3.618 3.387 3.870 . 0 0 "[ . 1 . 2]" 1 285 1 11 PRO HA 1 12 LEU H 5.000 . 6.000 3.228 2.854 3.520 . 0 0 "[ . 1 . 2]" 1 286 1 11 PRO HA 1 12 LEU MD2 5.000 . 6.000 5.890 5.730 6.040 0.040 20 0 "[ . 1 . 2]" 1 287 1 11 PRO QB 1 12 LEU H 5.000 . 6.000 3.509 2.809 3.946 . 0 0 "[ . 1 . 2]" 1 288 1 11 PRO QB 1 12 LEU HG 3.000 . 3.500 3.404 3.244 3.528 0.028 6 0 "[ . 1 . 2]" 1 289 1 11 PRO QB 1 12 LEU MD1 4.000 . 4.750 4.180 3.890 4.446 . 0 0 "[ . 1 . 2]" 1 290 1 11 PRO QB 1 12 LEU MD2 4.000 . 4.750 4.435 4.158 4.642 . 0 0 "[ . 1 . 2]" 1 291 1 11 PRO QG 1 12 LEU MD1 5.000 . 6.000 3.878 2.557 5.018 . 0 0 "[ . 1 . 2]" 1 292 1 11 PRO QG 1 12 LEU MD2 5.000 . 6.000 5.010 3.967 5.651 . 0 0 "[ . 1 . 2]" 1 293 1 11 PRO QD 1 12 LEU MD2 5.000 . 6.000 4.993 4.626 5.356 . 0 0 "[ . 1 . 2]" 1 294 1 12 LEU H 1 13 CYS H 4.000 . 4.750 2.118 1.798 2.585 0.002 17 0 "[ . 1 . 2]" 1 295 1 12 LEU HA 1 13 CYS H 5.000 . 6.000 3.394 3.300 3.544 . 0 0 "[ . 1 . 2]" 1 296 1 12 LEU HB3 1 13 CYS H 4.000 . 4.750 4.000 3.429 4.275 . 0 0 "[ . 1 . 2]" 1 297 1 12 LEU HB2 1 13 CYS H 3.000 . 3.500 3.217 2.448 3.517 0.017 4 0 "[ . 1 . 2]" 1 298 1 13 CYS HA 1 14 GLU H 5.000 . 6.000 2.730 2.695 2.760 . 0 0 "[ . 1 . 2]" 1 299 1 13 CYS HA 1 14 GLU QG 5.000 . 6.000 3.915 3.140 5.552 . 0 0 "[ . 1 . 2]" 1 300 1 13 CYS HB3 1 14 GLU H 4.000 . 4.750 3.497 3.481 3.534 . 0 0 "[ . 1 . 2]" 1 301 1 13 CYS HB2 1 14 GLU H 4.000 . 4.750 1.934 1.907 1.985 . 0 0 "[ . 1 . 2]" 1 302 1 13 CYS HB2 1 14 GLU QB 5.000 . 6.000 4.271 4.110 4.459 . 0 0 "[ . 1 . 2]" 1 303 1 13 CYS HB2 1 14 GLU QG 5.000 . 6.000 4.733 4.012 5.796 . 0 0 "[ . 1 . 2]" 1 304 1 14 GLU HA 1 15 LEU H 4.000 . 4.750 2.773 2.725 2.839 . 0 0 "[ . 1 . 2]" 1 305 1 14 GLU QB 1 15 LEU H 5.000 . 6.000 3.871 3.828 3.914 . 0 0 "[ . 1 . 2]" 1 306 1 15 LEU HA 1 16 MET H 3.000 . 3.500 2.237 2.177 2.367 . 0 0 "[ . 1 . 2]" 1 307 1 15 LEU HA 1 16 MET QB 4.000 . 4.750 4.172 3.879 4.538 . 0 0 "[ . 1 . 2]" 1 308 1 15 LEU HA 1 16 MET QG 5.000 . 6.000 4.389 3.423 5.695 . 0 0 "[ . 1 . 2]" 1 309 1 15 LEU HB3 1 16 MET H 4.000 . 4.750 3.484 3.087 3.828 . 0 0 "[ . 1 . 2]" 1 310 1 15 LEU HB2 1 16 MET H 4.000 . 4.750 4.257 4.062 4.353 . 0 0 "[ . 1 . 2]" 1 311 1 15 LEU HG 1 16 MET H 4.000 . 4.750 2.796 2.320 4.404 . 0 0 "[ . 1 . 2]" 1 312 1 15 LEU QD 1 16 MET H 4.000 . 4.750 3.006 1.899 3.342 . 0 0 "[ . 1 . 2]" 1 313 1 16 MET HA 1 17 PHE H 4.000 . 4.750 2.177 2.169 2.203 . 0 0 "[ . 1 . 2]" 1 314 1 16 MET HA 1 17 PHE QD 5.000 . 6.000 4.649 4.591 4.686 . 0 0 "[ . 1 . 2]" 1 315 1 16 MET HA 1 17 PHE QE 5.000 . 6.000 5.599 5.489 5.663 . 0 0 "[ . 1 . 2]" 1 316 1 16 MET ME 1 17 PHE H 5.000 . 6.000 4.767 3.772 5.259 . 0 0 "[ . 1 . 2]" 1 317 1 16 MET QB 1 17 PHE H 4.000 . 4.750 3.237 3.049 3.557 . 0 0 "[ . 1 . 2]" 1 318 1 16 MET QG 1 17 PHE H 4.000 . 4.750 3.611 2.580 4.552 . 0 0 "[ . 1 . 2]" 1 319 1 17 PHE H 1 18 PRO QD 5.000 . 6.000 4.383 4.357 4.395 . 0 0 "[ . 1 . 2]" 1 320 1 17 PHE HA 1 18 PRO QD 3.000 . 3.500 2.047 1.997 2.073 . 0 0 "[ . 1 . 2]" 1 321 1 17 PHE HB3 1 18 PRO QD 3.000 . 3.500 2.395 2.267 2.591 . 0 0 "[ . 1 . 2]" 1 322 1 17 PHE HB2 1 18 PRO QD 4.000 . 4.750 3.769 3.683 3.889 . 0 0 "[ . 1 . 2]" 1 323 1 17 PHE QD 1 18 PRO QD 4.000 . 4.750 2.756 2.692 2.839 . 0 0 "[ . 1 . 2]" 1 324 1 17 PHE QE 1 18 PRO QD 4.000 . 4.750 4.708 4.656 4.755 0.005 13 0 "[ . 1 . 2]" 1 325 1 18 PRO HA 1 19 PRO QG 4.000 . 4.750 3.932 3.801 4.002 . 0 0 "[ . 1 . 2]" 1 326 1 18 PRO HA 1 19 PRO QD 3.000 . 3.500 2.039 1.915 2.107 . 0 0 "[ . 1 . 2]" 1 327 1 18 PRO QB 1 19 PRO QD 3.000 . 3.500 2.402 2.347 2.520 . 0 0 "[ . 1 . 2]" 1 328 1 19 PRO HA 1 20 ASN H 5.000 . 6.000 3.495 3.484 3.502 . 0 0 "[ . 1 . 2]" 1 329 1 20 ASN HA 1 21 TYR H 5.000 . 6.000 3.145 3.133 3.185 . 0 0 "[ . 1 . 2]" 1 330 1 20 ASN QB 1 21 TYR H 5.000 . 6.000 3.612 3.542 3.956 . 0 0 "[ . 1 . 2]" 1 331 1 21 TYR HA 1 22 ASP H 3.000 . 3.500 2.165 2.151 2.186 . 0 0 "[ . 1 . 2]" 1 332 1 21 TYR QD 1 22 ASP HA 5.000 . 6.000 4.406 4.247 4.594 . 0 0 "[ . 1 . 2]" 1 333 1 22 ASP HA 1 23 GLN H 4.000 . 4.750 2.161 2.143 2.182 . 0 0 "[ . 1 . 2]" 1 334 1 22 ASP QB 1 23 GLN H 4.000 . 4.750 3.436 3.037 3.696 . 0 0 "[ . 1 . 2]" 1 335 1 23 GLN H 1 24 SER H 5.000 . 6.000 2.716 2.673 2.766 . 0 0 "[ . 1 . 2]" 1 336 1 23 GLN HA 1 24 SER H 3.000 . 3.500 3.526 3.499 3.536 0.036 15 0 "[ . 1 . 2]" 1 337 1 23 GLN QB 1 24 SER H 4.000 . 4.750 2.722 2.523 3.535 . 0 0 "[ . 1 . 2]" 1 338 1 23 GLN QG 1 24 SER H 4.000 . 4.750 4.083 1.953 4.527 . 0 0 "[ . 1 . 2]" 1 339 1 24 SER H 1 25 LYS H 3.000 . 3.500 2.752 2.717 2.781 . 0 0 "[ . 1 . 2]" 1 340 1 24 SER H 1 25 LYS QB 5.000 . 6.000 4.533 4.426 4.725 . 0 0 "[ . 1 . 2]" 1 341 1 24 SER H 1 25 LYS QG 5.000 . 6.000 5.271 4.436 5.942 . 0 0 "[ . 1 . 2]" 1 342 1 24 SER HA 1 25 LYS H 4.000 . 4.750 3.532 3.518 3.542 . 0 0 "[ . 1 . 2]" 1 343 1 24 SER QB 1 25 LYS H 3.000 . 3.500 2.746 2.488 3.271 . 0 0 "[ . 1 . 2]" 1 344 1 24 SER QB 1 25 LYS QG 5.000 . 6.000 3.919 3.308 4.400 . 0 0 "[ . 1 . 2]" 1 345 1 25 LYS H 1 26 PHE H 3.000 . 3.500 2.504 2.475 2.526 . 0 0 "[ . 1 . 2]" 1 346 1 25 LYS H 1 26 PHE HB3 4.000 . 4.750 4.780 4.768 4.789 0.039 20 0 "[ . 1 . 2]" 1 347 1 25 LYS H 1 26 PHE HB2 5.000 . 6.000 4.813 4.750 4.878 . 0 0 "[ . 1 . 2]" 1 348 1 25 LYS HA 1 26 PHE H 4.000 . 4.750 3.495 3.493 3.497 . 0 0 "[ . 1 . 2]" 1 349 1 25 LYS QB 1 26 PHE H 4.000 . 4.750 2.749 2.669 2.803 . 0 0 "[ . 1 . 2]" 1 350 1 25 LYS QG 1 26 PHE H 4.000 . 4.750 4.377 4.082 4.572 . 0 0 "[ . 1 . 2]" 1 351 1 26 PHE H 1 27 GLU H 3.000 . 3.500 2.565 2.537 2.590 . 0 0 "[ . 1 . 2]" 1 352 1 26 PHE H 1 27 GLU HA 5.000 . 6.000 5.189 5.165 5.210 . 0 0 "[ . 1 . 2]" 1 353 1 26 PHE HA 1 27 GLU H 4.000 . 4.750 3.527 3.520 3.532 . 0 0 "[ . 1 . 2]" 1 354 1 26 PHE HB3 1 27 GLU H 4.000 . 4.750 2.617 2.592 2.647 . 0 0 "[ . 1 . 2]" 1 355 1 26 PHE HB2 1 27 GLU H 4.000 . 4.750 3.848 3.824 3.879 . 0 0 "[ . 1 . 2]" 1 356 1 26 PHE QD 1 27 GLU H 4.000 . 4.750 4.012 3.923 4.089 . 0 0 "[ . 1 . 2]" 1 357 1 26 PHE QD 1 27 GLU HA 4.000 . 4.750 4.207 4.113 4.292 . 0 0 "[ . 1 . 2]" 1 358 1 26 PHE QD 1 27 GLU QB 5.000 . 6.000 5.144 4.965 5.309 . 0 0 "[ . 1 . 2]" 1 359 1 26 PHE QD 1 27 GLU QG 4.000 . 4.750 3.885 3.704 4.455 . 0 0 "[ . 1 . 2]" 1 360 1 26 PHE QE 1 27 GLU H 5.000 . 6.000 5.922 5.843 6.003 0.003 1 0 "[ . 1 . 2]" 1 361 1 26 PHE QE 1 27 GLU HA 5.000 . 6.000 5.401 5.283 5.507 . 0 0 "[ . 1 . 2]" 1 362 1 26 PHE QE 1 27 GLU QG 5.000 . 6.000 5.402 5.257 5.831 . 0 0 "[ . 1 . 2]" 1 363 1 27 GLU H 1 28 GLU H 3.000 . 3.500 2.628 2.602 2.674 . 0 0 "[ . 1 . 2]" 1 364 1 27 GLU HA 1 28 GLU H 3.000 . 3.500 3.522 3.511 3.533 0.033 17 0 "[ . 1 . 2]" 1 365 1 27 GLU QB 1 28 GLU H 3.000 . 3.500 2.608 2.477 2.726 . 0 0 "[ . 1 . 2]" 1 366 1 27 GLU QG 1 28 GLU H 4.000 . 4.750 4.281 4.106 4.431 . 0 0 "[ . 1 . 2]" 1 367 1 28 GLU H 1 29 HIS H 3.000 . 3.500 2.608 2.543 2.679 . 0 0 "[ . 1 . 2]" 1 368 1 28 GLU H 1 29 HIS HB3 5.000 . 6.000 4.481 4.418 4.569 . 0 0 "[ . 1 . 2]" 1 369 1 28 GLU H 1 29 HIS HB2 5.000 . 6.000 5.421 5.319 5.491 . 0 0 "[ . 1 . 2]" 1 370 1 28 GLU HA 1 29 HIS H 3.000 . 3.500 3.526 3.520 3.534 0.034 7 0 "[ . 1 . 2]" 1 371 1 28 GLU QB 1 29 HIS H 3.000 . 3.500 2.626 2.470 2.696 . 0 0 "[ . 1 . 2]" 1 372 1 28 GLU QB 1 29 HIS HB2 5.000 . 6.000 4.389 4.322 4.440 . 0 0 "[ . 1 . 2]" 1 373 1 28 GLU QG 1 29 HIS H 4.000 . 4.750 4.303 3.979 4.515 . 0 0 "[ . 1 . 2]" 1 374 1 29 HIS H 1 30 VAL H 3.000 . 3.500 2.655 2.597 2.711 . 0 0 "[ . 1 . 2]" 1 375 1 29 HIS H 1 30 VAL HA 5.000 . 6.000 5.268 5.220 5.311 . 0 0 "[ . 1 . 2]" 1 376 1 29 HIS H 1 30 VAL HB 4.000 . 4.750 4.773 4.757 4.781 0.031 14 0 "[ . 1 . 2]" 1 377 1 29 HIS H 1 30 VAL MG1 5.000 . 6.000 5.853 5.824 5.865 . 0 0 "[ . 1 . 2]" 1 378 1 29 HIS H 1 30 VAL MG2 5.000 . 6.000 4.159 4.060 4.352 . 0 0 "[ . 1 . 2]" 1 379 1 29 HIS HA 1 30 VAL H 4.000 . 4.750 3.541 3.535 3.551 . 0 0 "[ . 1 . 2]" 1 380 1 29 HIS HB3 1 30 VAL H 4.000 . 4.750 2.648 2.597 2.722 . 0 0 "[ . 1 . 2]" 1 381 1 29 HIS HB2 1 30 VAL H 4.000 . 4.750 3.966 3.936 4.016 . 0 0 "[ . 1 . 2]" 1 382 1 29 HIS HB2 1 30 VAL MG2 5.000 . 6.000 4.814 4.731 4.971 . 0 0 "[ . 1 . 2]" 1 383 1 29 HIS HD2 1 30 VAL H 4.000 . 4.750 2.786 2.721 2.869 . 0 0 "[ . 1 . 2]" 1 384 1 29 HIS HD2 1 30 VAL HA 3.000 . 3.500 2.998 2.918 3.073 . 0 0 "[ . 1 . 2]" 1 385 1 29 HIS HD2 1 30 VAL HB 4.000 . 4.750 4.352 4.257 4.452 . 0 0 "[ . 1 . 2]" 1 386 1 29 HIS HD2 1 30 VAL MG1 4.000 . 4.750 4.279 4.178 4.417 . 0 0 "[ . 1 . 2]" 1 387 1 29 HIS HD2 1 30 VAL MG2 3.000 . 3.500 1.951 1.922 2.033 . 0 0 "[ . 1 . 2]" 1 388 1 30 VAL H 1 31 GLU H 3.000 . 3.500 2.678 2.610 2.773 . 0 0 "[ . 1 . 2]" 1 389 1 30 VAL H 1 31 GLU HA 5.000 . 6.000 5.295 5.242 5.359 . 0 0 "[ . 1 . 2]" 1 390 1 30 VAL H 1 31 GLU QB 4.000 . 4.750 4.641 4.481 4.745 . 0 0 "[ . 1 . 2]" 1 391 1 30 VAL H 1 31 GLU QG 4.000 . 4.750 4.556 4.448 4.719 . 0 0 "[ . 1 . 2]" 1 392 1 30 VAL HA 1 31 GLU H 4.000 . 4.750 3.533 3.512 3.558 . 0 0 "[ . 1 . 2]" 1 393 1 30 VAL HB 1 31 GLU H 3.000 . 3.500 2.560 2.352 2.700 . 0 0 "[ . 1 . 2]" 1 394 1 30 VAL MG1 1 31 GLU H 4.000 . 4.750 3.421 3.255 3.542 . 0 0 "[ . 1 . 2]" 1 395 1 30 VAL MG1 1 31 GLU HA 4.000 . 4.750 3.447 3.360 3.562 . 0 0 "[ . 1 . 2]" 1 396 1 30 VAL MG2 1 31 GLU H 4.000 . 4.750 3.809 3.730 3.908 . 0 0 "[ . 1 . 2]" 1 397 1 30 VAL MG2 1 31 GLU HA 5.000 . 6.000 5.400 5.374 5.429 . 0 0 "[ . 1 . 2]" 1 398 1 31 GLU H 1 32 SER H 3.000 . 3.500 2.512 2.493 2.594 . 0 0 "[ . 1 . 2]" 1 399 1 31 GLU HA 1 32 SER H 4.000 . 4.750 3.475 3.462 3.483 . 0 0 "[ . 1 . 2]" 1 400 1 31 GLU QB 1 32 SER H 4.000 . 4.750 2.985 2.857 3.585 . 0 0 "[ . 1 . 2]" 1 401 1 31 GLU QG 1 32 SER H 5.000 . 6.000 3.966 2.139 4.348 . 0 0 "[ . 1 . 2]" 1 402 1 32 SER H 1 33 HIS H 3.000 . 3.500 2.697 2.637 2.725 . 0 0 "[ . 1 . 2]" 1 403 1 32 SER H 1 33 HIS HA 5.000 . 6.000 5.318 5.278 5.338 . 0 0 "[ . 1 . 2]" 1 404 1 32 SER H 1 33 HIS HB2 5.000 . 6.000 5.095 4.957 5.170 . 0 0 "[ . 1 . 2]" 1 405 1 32 SER H 1 33 HIS HD2 4.000 . 4.750 4.023 3.848 4.212 . 0 0 "[ . 1 . 2]" 1 406 1 32 SER HA 1 33 HIS H 4.000 . 4.750 3.510 3.462 3.524 . 0 0 "[ . 1 . 2]" 1 407 1 32 SER HG 1 33 HIS H 5.000 . 6.000 4.659 3.489 5.198 . 0 0 "[ . 1 . 2]" 1 408 1 32 SER QB 1 33 HIS H 4.000 . 4.750 2.726 2.590 3.389 . 0 0 "[ . 1 . 2]" 1 409 1 33 HIS HA 1 34 TRP H 4.000 . 4.750 3.459 3.446 3.466 . 0 0 "[ . 1 . 2]" 1 410 1 33 HIS HB3 1 34 TRP H 4.000 . 4.750 4.075 3.988 4.132 . 0 0 "[ . 1 . 2]" 1 411 1 33 HIS HB2 1 34 TRP H 4.000 . 4.750 3.006 2.973 3.065 . 0 0 "[ . 1 . 2]" 1 412 1 33 HIS HD2 1 34 TRP H 5.000 . 6.000 4.461 4.341 4.663 . 0 0 "[ . 1 . 2]" 1 413 1 34 TRP H 1 35 LYS H 4.000 . 4.750 4.623 4.594 4.633 . 0 0 "[ . 1 . 2]" 1 414 1 34 TRP HA 1 35 LYS H 3.000 . 3.500 2.360 2.301 2.404 . 0 0 "[ . 1 . 2]" 1 415 1 34 TRP HD1 1 35 LYS H 5.000 . 6.000 4.888 4.855 4.953 . 0 0 "[ . 1 . 2]" 1 416 1 34 TRP HE3 1 35 LYS H 4.000 . 4.750 4.582 4.456 4.693 . 0 0 "[ . 1 . 2]" 1 417 1 34 TRP QB 1 35 LYS H 3.000 . 3.500 2.475 2.376 2.616 . 0 0 "[ . 1 . 2]" 1 418 1 35 LYS H 1 36 VAL H 4.000 . 4.750 4.389 4.249 4.414 . 0 0 "[ . 1 . 2]" 1 419 1 35 LYS H 1 36 VAL MG2 5.000 . 6.000 4.037 3.902 4.107 . 0 0 "[ . 1 . 2]" 1 420 1 35 LYS HA 1 36 VAL H 2.500 . 2.800 2.171 2.164 2.206 . 0 0 "[ . 1 . 2]" 1 421 1 35 LYS HB2 1 36 VAL H 4.000 . 4.750 4.502 4.472 4.544 . 0 0 "[ . 1 . 2]" 1 422 1 35 LYS QG 1 36 VAL H 4.000 . 4.750 4.021 3.856 4.205 . 0 0 "[ . 1 . 2]" 1 423 1 35 LYS QD 1 36 VAL H 5.000 . 6.000 5.583 5.514 5.692 . 0 0 "[ . 1 . 2]" 1 424 1 36 VAL H 1 37 CYS H 4.000 . 4.750 4.402 4.388 4.447 . 0 0 "[ . 1 . 2]" 1 425 1 36 VAL HA 1 37 CYS H 3.000 . 3.500 2.128 2.121 2.136 . 0 0 "[ . 1 . 2]" 1 426 1 36 VAL HB 1 37 CYS H 4.000 . 4.750 4.003 3.948 4.028 . 0 0 "[ . 1 . 2]" 1 427 1 36 VAL MG1 1 37 CYS H 4.000 . 4.750 2.209 2.125 2.394 . 0 0 "[ . 1 . 2]" 1 428 1 36 VAL MG1 1 37 CYS HB3 5.000 . 6.000 3.750 3.675 3.861 . 0 0 "[ . 1 . 2]" 1 429 1 36 VAL MG1 1 37 CYS HB2 5.000 . 6.000 4.396 4.346 4.487 . 0 0 "[ . 1 . 2]" 1 430 1 36 VAL MG2 1 37 CYS H 4.000 . 4.750 3.979 3.942 4.024 . 0 0 "[ . 1 . 2]" 1 431 1 36 VAL MG2 1 37 CYS HB3 5.000 . 6.000 5.971 5.914 6.008 0.008 12 0 "[ . 1 . 2]" 1 432 1 36 VAL MG2 1 37 CYS HB2 5.000 . 6.000 6.067 6.057 6.081 0.081 17 0 "[ . 1 . 2]" 1 433 1 37 CYS H 1 38 PRO QD 5.000 . 6.000 4.325 4.317 4.333 . 0 0 "[ . 1 . 2]" 1 434 1 37 CYS HA 1 38 PRO QB 4.000 . 4.750 4.475 4.465 4.498 . 0 0 "[ . 1 . 2]" 1 435 1 37 CYS HA 1 38 PRO QG 4.000 . 4.750 3.904 3.898 3.911 . 0 0 "[ . 1 . 2]" 1 436 1 37 CYS HA 1 38 PRO QD 4.000 . 4.750 1.958 1.947 1.969 . 0 0 "[ . 1 . 2]" 1 437 1 37 CYS HB3 1 38 PRO QD 5.000 . 6.000 4.020 4.005 4.032 . 0 0 "[ . 1 . 2]" 1 438 1 37 CYS HB2 1 38 PRO QD 4.000 . 4.750 3.822 3.787 3.864 . 0 0 "[ . 1 . 2]" 1 439 1 38 PRO HA 1 39 MET H 4.000 . 4.750 3.411 3.399 3.421 . 0 0 "[ . 1 . 2]" 1 440 1 38 PRO QB 1 39 MET H 4.000 . 4.750 3.631 3.615 3.646 . 0 0 "[ . 1 . 2]" 1 441 1 38 PRO QG 1 39 MET H 4.000 . 4.750 3.011 2.958 3.099 . 0 0 "[ . 1 . 2]" 1 442 1 38 PRO QD 1 39 MET H 4.000 . 4.750 2.356 2.316 2.383 . 0 0 "[ . 1 . 2]" 1 443 1 39 MET H 1 40 CYS H 3.000 . 3.500 2.335 2.325 2.347 . 0 0 "[ . 1 . 2]" 1 444 1 39 MET HA 1 40 CYS H 4.000 . 4.750 3.476 3.473 3.481 . 0 0 "[ . 1 . 2]" 1 445 1 39 MET HB3 1 40 CYS H 4.000 . 4.750 3.902 3.843 3.974 . 0 0 "[ . 1 . 2]" 1 446 1 39 MET HB2 1 40 CYS H 4.000 . 4.750 2.984 2.942 3.018 . 0 0 "[ . 1 . 2]" 1 447 1 39 MET ME 1 40 CYS H 5.000 . 6.000 5.847 5.671 6.005 0.005 1 0 "[ . 1 . 2]" 1 448 1 39 MET QG 1 40 CYS H 4.000 . 4.750 4.216 4.059 4.338 . 0 0 "[ . 1 . 2]" 1 449 1 40 CYS H 1 41 SER H 3.000 . 3.500 1.811 1.790 1.898 0.010 16 0 "[ . 1 . 2]" 1 450 1 40 CYS H 1 41 SER HA 4.000 . 4.750 4.027 3.988 4.050 . 0 0 "[ . 1 . 2]" 1 451 1 40 CYS HA 1 41 SER H 4.000 . 4.750 3.465 3.430 3.525 . 0 0 "[ . 1 . 2]" 1 452 1 40 CYS HB3 1 41 SER H 4.000 . 4.750 4.058 3.856 4.144 . 0 0 "[ . 1 . 2]" 1 453 1 40 CYS HB2 1 41 SER H 4.000 . 4.750 4.067 3.842 4.176 . 0 0 "[ . 1 . 2]" 1 454 1 40 CYS HB2 1 41 SER HA 5.000 . 6.000 5.789 5.687 5.853 . 0 0 "[ . 1 . 2]" 1 455 1 41 SER H 1 42 GLU H 4.000 . 4.750 2.375 2.109 2.463 . 0 0 "[ . 1 . 2]" 1 456 1 41 SER H 1 42 GLU HA 5.000 . 6.000 4.971 4.785 5.032 . 0 0 "[ . 1 . 2]" 1 457 1 41 SER HA 1 42 GLU H 4.000 . 4.750 2.800 2.726 2.879 . 0 0 "[ . 1 . 2]" 1 458 1 41 SER QB 1 42 GLU H 4.000 . 4.750 3.915 3.850 4.080 . 0 0 "[ . 1 . 2]" 1 459 1 42 GLU H 1 43 GLN H 4.000 . 4.750 4.588 4.469 4.610 . 0 0 "[ . 1 . 2]" 1 460 1 42 GLU HA 1 43 GLN H 2.500 . 2.800 2.267 2.167 2.289 . 0 0 "[ . 1 . 2]" 1 461 1 42 GLU HA 1 43 GLN HA 5.000 . 6.000 4.361 4.355 4.369 . 0 0 "[ . 1 . 2]" 1 462 1 42 GLU HA 1 43 GLN QB 4.000 . 4.750 4.079 3.995 4.427 . 0 0 "[ . 1 . 2]" 1 463 1 42 GLU HA 1 43 GLN QG 4.000 . 4.750 4.533 3.773 4.766 0.016 12 0 "[ . 1 . 2]" 1 464 1 42 GLU QB 1 43 GLN H 3.000 . 3.500 3.207 3.001 3.488 . 0 0 "[ . 1 . 2]" 1 465 1 42 GLU QG 1 43 GLN H 3.000 . 3.500 2.956 1.978 3.509 0.009 8 0 "[ . 1 . 2]" 1 466 1 43 GLN H 1 44 PHE H 5.000 . 6.000 4.423 4.418 4.448 . 0 0 "[ . 1 . 2]" 1 467 1 43 GLN H 1 44 PHE QD 5.000 . 6.000 4.827 4.675 4.965 . 0 0 "[ . 1 . 2]" 1 468 1 43 GLN H 1 44 PHE QE 5.000 . 6.000 4.956 4.746 5.084 . 0 0 "[ . 1 . 2]" 1 469 1 43 GLN HA 1 44 PHE H 3.000 . 3.500 2.116 2.111 2.122 . 0 0 "[ . 1 . 2]" 1 470 1 43 GLN HA 1 44 PHE QD 4.000 . 4.750 3.412 2.793 3.624 . 0 0 "[ . 1 . 2]" 1 471 1 43 GLN HA 1 44 PHE QE 5.000 . 6.000 4.714 3.946 4.876 . 0 0 "[ . 1 . 2]" 1 472 1 43 GLN HE22 1 44 PHE H 5.000 . 6.000 5.145 4.713 6.026 0.026 15 0 "[ . 1 . 2]" 1 473 1 43 GLN QB 1 44 PHE H 4.000 . 4.750 3.259 3.018 3.348 . 0 0 "[ . 1 . 2]" 1 474 1 43 GLN QG 1 44 PHE H 4.000 . 4.750 3.574 3.360 4.159 . 0 0 "[ . 1 . 2]" 1 475 1 44 PHE H 1 45 PRO QD 5.000 . 6.000 4.126 4.041 4.343 . 0 0 "[ . 1 . 2]" 1 476 1 44 PHE HA 1 45 PRO QB 5.000 . 6.000 4.657 4.646 4.716 . 0 0 "[ . 1 . 2]" 1 477 1 44 PHE HA 1 45 PRO QG 4.000 . 4.750 3.820 3.782 3.850 . 0 0 "[ . 1 . 2]" 1 478 1 44 PHE HA 1 45 PRO QD 3.000 . 3.500 1.913 1.883 1.945 . 0 0 "[ . 1 . 2]" 1 479 1 44 PHE HB3 1 45 PRO QD 4.000 . 4.750 3.214 2.542 3.387 . 0 0 "[ . 1 . 2]" 1 480 1 44 PHE HB2 1 45 PRO QD 4.000 . 4.750 4.205 3.716 4.294 . 0 0 "[ . 1 . 2]" 1 481 1 44 PHE QD 1 45 PRO QG 5.000 . 6.000 5.470 5.358 5.588 . 0 0 "[ . 1 . 2]" 1 482 1 44 PHE QD 1 45 PRO QD 4.000 . 4.750 3.632 3.505 3.759 . 0 0 "[ . 1 . 2]" 1 483 1 44 PHE QE 1 45 PRO QD 5.000 . 6.000 5.337 5.259 5.456 . 0 0 "[ . 1 . 2]" 1 484 1 45 PRO HA 1 46 PRO QG 4.000 . 4.750 3.970 3.836 4.033 . 0 0 "[ . 1 . 2]" 1 485 1 45 PRO HA 1 46 PRO QD 2.500 . 2.800 2.070 1.931 2.132 . 0 0 "[ . 1 . 2]" 1 486 1 45 PRO QB 1 46 PRO QD 3.000 . 3.500 2.285 2.160 2.550 . 0 0 "[ . 1 . 2]" 1 487 1 45 PRO QG 1 46 PRO QD 4.000 . 4.750 3.899 3.822 4.016 . 0 0 "[ . 1 . 2]" 1 488 1 45 PRO QD 1 46 PRO QD 4.000 . 4.750 4.631 4.605 4.657 . 0 0 "[ . 1 . 2]" 1 489 1 46 PRO HA 1 47 ASP H 3.000 . 3.500 3.489 3.473 3.506 0.006 15 0 "[ . 1 . 2]" 1 490 1 46 PRO QB 1 47 ASP H 3.000 . 3.500 3.194 2.887 3.364 . 0 0 "[ . 1 . 2]" 1 491 1 46 PRO QG 1 47 ASP H 5.000 . 6.000 3.042 2.480 4.021 . 0 0 "[ . 1 . 2]" 1 492 1 46 PRO QD 1 47 ASP H 3.000 . 3.500 2.831 2.760 2.942 . 0 0 "[ . 1 . 2]" 1 493 1 47 ASP H 1 48 TYR H 3.000 . 3.500 2.432 2.396 2.521 . 0 0 "[ . 1 . 2]" 1 494 1 47 ASP HA 1 48 TYR H 4.000 . 4.750 3.367 3.284 3.380 . 0 0 "[ . 1 . 2]" 1 495 1 47 ASP QB 1 48 TYR H 4.000 . 4.750 3.248 3.184 3.752 . 0 0 "[ . 1 . 2]" 1 496 1 48 TYR H 1 49 ASP H 5.000 . 6.000 4.614 4.567 4.637 . 0 0 "[ . 1 . 2]" 1 497 1 48 TYR HA 1 49 ASP H 3.000 . 3.500 2.276 2.180 2.413 . 0 0 "[ . 1 . 2]" 1 498 1 48 TYR HB3 1 49 ASP H 4.000 . 4.750 3.466 3.126 3.750 . 0 0 "[ . 1 . 2]" 1 499 1 48 TYR HB2 1 49 ASP H 4.000 . 4.750 4.198 3.987 4.396 . 0 0 "[ . 1 . 2]" 1 500 1 48 TYR QD 1 49 ASP H 4.000 . 4.750 3.102 2.743 3.421 . 0 0 "[ . 1 . 2]" 1 501 1 48 TYR QD 1 49 ASP HA 5.000 . 6.000 4.805 4.596 4.978 . 0 0 "[ . 1 . 2]" 1 502 1 48 TYR QD 1 49 ASP QB 5.000 . 6.000 4.088 3.938 4.277 . 0 0 "[ . 1 . 2]" 1 503 1 48 TYR QE 1 49 ASP H 5.000 . 6.000 4.265 3.911 4.643 . 0 0 "[ . 1 . 2]" 1 504 1 49 ASP H 1 50 GLN H 5.000 . 6.000 4.493 4.441 4.533 . 0 0 "[ . 1 . 2]" 1 505 1 49 ASP HA 1 50 GLN H 3.000 . 3.500 2.148 2.140 2.155 . 0 0 "[ . 1 . 2]" 1 506 1 49 ASP QB 1 50 GLN H 4.000 . 4.750 3.502 3.210 3.763 . 0 0 "[ . 1 . 2]" 1 507 1 50 GLN H 1 51 GLN H 4.000 . 4.750 2.724 2.714 2.734 . 0 0 "[ . 1 . 2]" 1 508 1 50 GLN H 1 51 GLN HA 5.000 . 6.000 5.301 5.280 5.317 . 0 0 "[ . 1 . 2]" 1 509 1 50 GLN HA 1 51 GLN H 3.000 . 3.500 3.500 3.480 3.514 0.014 4 0 "[ . 1 . 2]" 1 510 1 50 GLN QB 1 51 GLN H 4.000 . 4.750 2.802 2.719 2.888 . 0 0 "[ . 1 . 2]" 1 511 1 50 GLN QG 1 51 GLN H 4.000 . 4.750 4.084 3.622 4.573 . 0 0 "[ . 1 . 2]" 1 512 1 51 GLN H 1 52 VAL H 3.000 . 3.500 2.724 2.705 2.748 . 0 0 "[ . 1 . 2]" 1 513 1 51 GLN H 1 52 VAL HA 5.000 . 6.000 5.327 5.313 5.344 . 0 0 "[ . 1 . 2]" 1 514 1 51 GLN H 1 52 VAL MG1 5.000 . 6.000 5.980 5.963 6.000 . 0 0 "[ . 1 . 2]" 1 515 1 51 GLN H 1 52 VAL MG2 5.000 . 6.000 4.047 3.983 4.103 . 0 0 "[ . 1 . 2]" 1 516 1 51 GLN HA 1 52 VAL H 4.000 . 4.750 3.547 3.542 3.550 . 0 0 "[ . 1 . 2]" 1 517 1 51 GLN HA 1 52 VAL MG2 5.000 . 6.000 4.818 4.769 4.880 . 0 0 "[ . 1 . 2]" 1 518 1 51 GLN QB 1 52 VAL H 3.000 . 3.500 2.509 2.438 2.626 . 0 0 "[ . 1 . 2]" 1 519 1 51 GLN QB 1 52 VAL MG2 5.000 . 6.000 2.931 2.770 3.098 . 0 0 "[ . 1 . 2]" 1 520 1 51 GLN QG 1 52 VAL H 4.000 . 4.750 4.102 3.571 4.419 . 0 0 "[ . 1 . 2]" 1 521 1 52 VAL H 1 53 PHE H 3.000 . 3.500 2.599 2.564 2.636 . 0 0 "[ . 1 . 2]" 1 522 1 52 VAL HA 1 53 PHE H 4.000 . 4.750 3.532 3.524 3.544 . 0 0 "[ . 1 . 2]" 1 523 1 52 VAL HB 1 53 PHE H 4.000 . 4.750 2.606 2.529 2.695 . 0 0 "[ . 1 . 2]" 1 524 1 52 VAL MG1 1 53 PHE H 5.000 . 6.000 3.623 3.561 3.708 . 0 0 "[ . 1 . 2]" 1 525 1 52 VAL MG2 1 53 PHE H 5.000 . 6.000 3.705 3.650 3.739 . 0 0 "[ . 1 . 2]" 1 526 1 53 PHE H 1 54 GLU H 3.000 . 3.500 2.716 2.672 2.771 . 0 0 "[ . 1 . 2]" 1 527 1 53 PHE H 1 54 GLU HA 5.000 . 6.000 5.299 5.264 5.343 . 0 0 "[ . 1 . 2]" 1 528 1 53 PHE H 1 54 GLU QB 5.000 . 6.000 4.426 4.357 4.582 . 0 0 "[ . 1 . 2]" 1 529 1 53 PHE HA 1 54 GLU H 4.000 . 4.750 3.562 3.560 3.567 . 0 0 "[ . 1 . 2]" 1 530 1 53 PHE HB3 1 54 GLU H 3.000 . 3.500 2.439 2.423 2.472 . 0 0 "[ . 1 . 2]" 1 531 1 53 PHE HB2 1 54 GLU H 4.000 . 4.750 3.849 3.838 3.871 . 0 0 "[ . 1 . 2]" 1 532 1 53 PHE QD 1 54 GLU H 4.000 . 4.750 3.573 3.486 3.610 . 0 0 "[ . 1 . 2]" 1 533 1 53 PHE QD 1 54 GLU HA 4.000 . 4.750 4.097 4.068 4.133 . 0 0 "[ . 1 . 2]" 1 534 1 53 PHE QD 1 54 GLU QB 4.000 . 4.750 4.766 4.753 4.788 0.038 1 0 "[ . 1 . 2]" 1 535 1 53 PHE QD 1 54 GLU QG 3.000 . 3.500 3.420 3.070 3.516 0.016 4 0 "[ . 1 . 2]" 1 536 1 53 PHE QE 1 54 GLU H 5.000 . 6.000 5.299 5.226 5.330 . 0 0 "[ . 1 . 2]" 1 537 1 53 PHE QE 1 54 GLU HA 4.000 . 4.750 4.751 4.699 4.766 0.016 2 0 "[ . 1 . 2]" 1 538 1 53 PHE QE 1 54 GLU QG 5.000 . 6.000 4.395 4.186 4.612 . 0 0 "[ . 1 . 2]" 1 539 1 54 GLU H 1 55 ARG H 3.000 . 3.500 2.764 2.691 2.814 . 0 0 "[ . 1 . 2]" 1 540 1 54 GLU H 1 55 ARG HA 5.000 . 6.000 5.350 5.300 5.386 . 0 0 "[ . 1 . 2]" 1 541 1 54 GLU H 1 55 ARG QB 4.000 . 4.750 4.649 4.373 4.799 0.049 19 0 "[ . 1 . 2]" 1 542 1 54 GLU H 1 55 ARG QG 5.000 . 6.000 4.812 4.375 5.411 . 0 0 "[ . 1 . 2]" 1 543 1 54 GLU HA 1 55 ARG H 4.000 . 4.750 3.536 3.508 3.553 . 0 0 "[ . 1 . 2]" 1 544 1 54 GLU QB 1 55 ARG H 3.000 . 3.500 2.660 2.578 2.733 . 0 0 "[ . 1 . 2]" 1 545 1 54 GLU QG 1 55 ARG H 4.000 . 4.750 4.346 4.282 4.403 . 0 0 "[ . 1 . 2]" 1 546 1 55 ARG H 1 56 HIS H 3.000 . 3.500 2.615 2.559 2.678 . 0 0 "[ . 1 . 2]" 1 547 1 55 ARG HA 1 56 HIS H 4.000 . 4.750 3.525 3.518 3.544 . 0 0 "[ . 1 . 2]" 1 548 1 55 ARG QB 1 56 HIS H 4.000 . 4.750 3.092 2.500 3.449 . 0 0 "[ . 1 . 2]" 1 549 1 55 ARG QG 1 56 HIS H 4.000 . 4.750 2.963 1.919 4.417 . 0 0 "[ . 1 . 2]" 1 550 1 55 ARG QD 1 56 HIS H 4.000 . 4.750 4.256 3.279 4.766 0.016 9 0 "[ . 1 . 2]" 1 551 1 56 HIS H 1 57 VAL H 3.000 . 3.500 2.691 2.638 2.767 . 0 0 "[ . 1 . 2]" 1 552 1 56 HIS H 1 57 VAL MG1 5.000 . 6.000 5.917 5.884 5.977 . 0 0 "[ . 1 . 2]" 1 553 1 56 HIS H 1 57 VAL MG2 5.000 . 6.000 3.808 3.759 3.863 . 0 0 "[ . 1 . 2]" 1 554 1 56 HIS HA 1 57 VAL H 4.000 . 4.750 3.563 3.556 3.571 . 0 0 "[ . 1 . 2]" 1 555 1 56 HIS HB3 1 57 VAL H 4.000 . 4.750 2.641 2.593 2.698 . 0 0 "[ . 1 . 2]" 1 556 1 56 HIS HB3 1 57 VAL MG2 5.000 . 6.000 3.184 3.102 3.256 . 0 0 "[ . 1 . 2]" 1 557 1 56 HIS HB2 1 57 VAL H 4.000 . 4.750 3.985 3.954 4.019 . 0 0 "[ . 1 . 2]" 1 558 1 56 HIS HB2 1 57 VAL MG2 5.000 . 6.000 4.599 4.543 4.643 . 0 0 "[ . 1 . 2]" 1 559 1 56 HIS HD2 1 57 VAL H 4.000 . 4.750 2.861 2.800 2.941 . 0 0 "[ . 1 . 2]" 1 560 1 56 HIS HD2 1 57 VAL HA 3.000 . 3.500 2.858 2.800 2.932 . 0 0 "[ . 1 . 2]" 1 561 1 56 HIS HD2 1 57 VAL HB 4.000 . 4.750 4.576 4.507 4.650 . 0 0 "[ . 1 . 2]" 1 562 1 56 HIS HD2 1 57 VAL MG1 5.000 . 6.000 3.533 3.398 3.631 . 0 0 "[ . 1 . 2]" 1 563 1 56 HIS HD2 1 57 VAL MG2 4.000 . 4.750 2.024 1.951 2.175 . 0 0 "[ . 1 . 2]" 1 564 1 57 VAL H 1 58 GLN H 3.000 . 3.500 2.565 2.518 2.684 . 0 0 "[ . 1 . 2]" 1 565 1 57 VAL H 1 58 GLN QB 4.000 . 4.750 4.408 4.358 4.484 . 0 0 "[ . 1 . 2]" 1 566 1 57 VAL HA 1 58 GLN H 4.000 . 4.750 3.509 3.480 3.545 . 0 0 "[ . 1 . 2]" 1 567 1 57 VAL HB 1 58 GLN H 3.000 . 3.500 2.752 2.416 2.961 . 0 0 "[ . 1 . 2]" 1 568 1 57 VAL MG1 1 58 GLN H 4.000 . 4.750 3.986 3.771 4.126 . 0 0 "[ . 1 . 2]" 1 569 1 57 VAL MG1 1 58 GLN HA 4.000 . 4.750 4.358 4.193 4.516 . 0 0 "[ . 1 . 2]" 1 570 1 57 VAL MG1 1 58 GLN QB 5.000 . 6.000 5.315 5.164 5.430 . 0 0 "[ . 1 . 2]" 1 571 1 57 VAL MG2 1 58 GLN H 5.000 . 6.000 3.377 3.191 3.482 . 0 0 "[ . 1 . 2]" 1 572 1 57 VAL MG2 1 58 GLN HA 5.000 . 6.000 5.148 5.040 5.187 . 0 0 "[ . 1 . 2]" 1 573 1 57 VAL MG2 1 58 GLN QB 5.000 . 6.000 4.904 4.753 4.980 . 0 0 "[ . 1 . 2]" 1 574 1 58 GLN H 1 59 THR H 3.000 . 3.500 2.555 2.518 2.673 . 0 0 "[ . 1 . 2]" 1 575 1 58 GLN H 1 59 THR HA 5.000 . 6.000 5.153 5.125 5.252 . 0 0 "[ . 1 . 2]" 1 576 1 58 GLN H 1 59 THR MG 5.000 . 6.000 5.090 3.785 5.825 . 0 0 "[ . 1 . 2]" 1 577 1 58 GLN HA 1 59 THR H 3.000 . 3.500 3.492 3.476 3.514 0.014 10 0 "[ . 1 . 2]" 1 578 1 58 GLN QB 1 59 THR H 3.000 . 3.500 2.781 2.749 2.813 . 0 0 "[ . 1 . 2]" 1 579 1 58 GLN QG 1 59 THR H 4.000 . 4.750 4.325 4.265 4.404 . 0 0 "[ . 1 . 2]" 1 580 1 59 THR H 1 60 HIS H 3.000 . 3.500 2.638 2.620 2.663 . 0 0 "[ . 1 . 2]" 1 581 1 59 THR HA 1 60 HIS H 4.000 . 4.750 3.451 3.443 3.457 . 0 0 "[ . 1 . 2]" 1 582 1 59 THR HA 1 60 HIS HD2 5.000 . 6.000 6.057 6.037 6.081 0.081 19 0 "[ . 1 . 2]" 1 583 1 59 THR HB 1 60 HIS H 4.000 . 4.750 3.409 3.007 4.069 . 0 0 "[ . 1 . 2]" 1 584 1 59 THR MG 1 60 HIS H 5.000 . 6.000 3.321 2.199 3.847 . 0 0 "[ . 1 . 2]" 1 585 1 59 THR MG 1 60 HIS HD2 5.000 . 6.000 4.293 2.875 4.762 . 0 0 "[ . 1 . 2]" 1 586 1 60 HIS H 1 61 PHE H 3.000 . 3.500 2.338 2.286 2.473 . 0 0 "[ . 1 . 2]" 1 587 1 60 HIS HA 1 61 PHE H 4.000 . 4.750 3.478 3.389 3.493 . 0 0 "[ . 1 . 2]" 1 588 1 60 HIS HB3 1 61 PHE H 4.000 . 4.750 3.862 3.814 4.073 . 0 0 "[ . 1 . 2]" 1 589 1 60 HIS HB3 1 61 PHE QD 4.000 . 4.750 3.879 3.620 4.406 . 0 0 "[ . 1 . 2]" 1 590 1 60 HIS HB3 1 61 PHE QE 4.000 . 4.750 4.524 4.364 4.768 0.018 1 0 "[ . 1 . 2]" 1 591 1 60 HIS HB2 1 61 PHE H 4.000 . 4.750 2.923 2.860 3.327 . 0 0 "[ . 1 . 2]" 1 592 1 60 HIS HB2 1 61 PHE QD 4.000 . 4.750 3.282 3.005 3.627 . 0 0 "[ . 1 . 2]" 1 593 1 60 HIS HB2 1 61 PHE QE 4.000 . 4.750 3.602 3.328 3.953 . 0 0 "[ . 1 . 2]" 1 594 1 61 PHE H 1 62 ASP H 3.000 . 3.500 2.488 2.203 2.587 . 0 0 "[ . 1 . 2]" 1 595 1 61 PHE H 1 62 ASP HA 5.000 . 6.000 5.134 4.914 5.184 . 0 0 "[ . 1 . 2]" 1 596 1 61 PHE H 1 62 ASP QB 5.000 . 6.000 4.358 4.017 4.902 . 0 0 "[ . 1 . 2]" 1 597 1 61 PHE HA 1 62 ASP H 4.000 . 4.750 3.458 3.380 3.478 . 0 0 "[ . 1 . 2]" 1 598 1 61 PHE HB3 1 62 ASP H 4.000 . 4.750 4.046 3.950 4.234 . 0 0 "[ . 1 . 2]" 1 599 1 61 PHE HB2 1 62 ASP H 4.000 . 4.750 3.009 2.926 3.308 . 0 0 "[ . 1 . 2]" 1 600 1 61 PHE QD 1 62 ASP H 4.000 . 4.750 4.368 3.843 4.481 . 0 0 "[ . 1 . 2]" 1 601 1 62 ASP H 1 63 GLN H 5.000 . 6.000 2.539 2.131 2.786 . 0 0 "[ . 1 . 2]" 1 602 1 62 ASP HA 1 63 GLN H 4.000 . 4.750 3.192 3.002 3.448 . 0 0 "[ . 1 . 2]" 1 603 1 62 ASP QB 1 63 GLN H 5.000 . 6.000 3.473 2.992 4.020 . 0 0 "[ . 1 . 2]" 1 604 1 63 GLN H 1 64 ASN H 5.000 . 6.000 3.890 2.138 4.588 . 0 0 "[ . 1 . 2]" 1 605 1 63 GLN HA 1 64 ASN H 4.000 . 4.750 2.368 2.141 3.568 . 0 0 "[ . 1 . 2]" 1 606 1 63 GLN QB 1 64 ASN H 5.000 . 6.000 3.382 2.211 4.032 . 0 0 "[ . 1 . 2]" 1 607 1 63 GLN QG 1 64 ASN H 5.000 . 6.000 3.445 2.089 4.426 . 0 0 "[ . 1 . 2]" 1 608 1 15 LEU H 1 17 PHE QE 5.000 . 6.000 5.832 5.749 5.927 . 0 0 "[ . 1 . 2]" 1 609 1 15 LEU HB3 1 17 PHE HZ 4.000 . 4.750 3.688 3.518 3.863 . 0 0 "[ . 1 . 2]" 1 610 1 15 LEU HB3 1 17 PHE QE 4.000 . 4.750 3.613 3.559 3.670 . 0 0 "[ . 1 . 2]" 1 611 1 15 LEU HB2 1 17 PHE HZ 5.000 . 6.000 4.733 4.616 4.869 . 0 0 "[ . 1 . 2]" 1 612 1 15 LEU HB2 1 17 PHE QE 4.000 . 4.750 4.761 4.755 4.770 0.020 17 0 "[ . 1 . 2]" 1 613 1 15 LEU HG 1 17 PHE HZ 5.000 . 6.000 5.124 3.791 5.795 . 0 0 "[ . 1 . 2]" 1 614 1 15 LEU HG 1 17 PHE QE 4.000 . 4.750 3.951 3.186 4.679 . 0 0 "[ . 1 . 2]" 1 615 1 15 LEU QD 1 17 PHE HA 5.000 . 6.000 4.710 3.433 5.215 . 0 0 "[ . 1 . 2]" 1 616 1 15 LEU QD 1 17 PHE HZ 4.000 . 4.750 3.033 2.439 3.481 . 0 0 "[ . 1 . 2]" 1 617 1 15 LEU QD 1 17 PHE QD 5.000 . 6.000 3.551 2.629 4.026 . 0 0 "[ . 1 . 2]" 1 618 1 15 LEU QD 1 17 PHE QE 4.000 . 4.750 2.209 1.920 2.556 . 0 0 "[ . 1 . 2]" 1 619 1 19 PRO QG 1 21 TYR H 5.000 . 6.000 5.045 4.791 5.449 . 0 0 "[ . 1 . 2]" 1 620 1 21 TYR QD 1 23 GLN HA 4.000 . 4.750 3.534 3.443 3.609 . 0 0 "[ . 1 . 2]" 1 621 1 21 TYR QD 1 23 GLN QB 5.000 . 6.000 5.270 5.071 5.484 . 0 0 "[ . 1 . 2]" 1 622 1 21 TYR QE 1 23 GLN HA 4.000 . 4.750 4.358 4.273 4.533 . 0 0 "[ . 1 . 2]" 1 623 1 21 TYR QE 1 23 GLN QB 5.000 . 6.000 6.043 6.037 6.051 0.051 9 0 "[ . 1 . 2]" 1 624 1 22 ASP HA 1 24 SER H 5.000 . 6.000 3.997 3.846 4.092 . 0 0 "[ . 1 . 2]" 1 625 1 22 ASP QB 1 24 SER H 4.000 . 4.750 3.182 2.875 3.624 . 0 0 "[ . 1 . 2]" 1 626 1 23 GLN H 1 25 LYS H 5.000 . 6.000 4.284 4.168 4.428 . 0 0 "[ . 1 . 2]" 1 627 1 23 GLN QB 1 25 LYS H 5.000 . 6.000 4.753 4.607 5.217 . 0 0 "[ . 1 . 2]" 1 628 1 25 LYS H 1 27 GLU H 4.000 . 4.750 4.034 3.983 4.084 . 0 0 "[ . 1 . 2]" 1 629 1 25 LYS HA 1 27 GLU H 5.000 . 6.000 4.320 4.277 4.370 . 0 0 "[ . 1 . 2]" 1 630 1 25 LYS QB 1 27 GLU H 5.000 . 6.000 4.711 4.685 4.738 . 0 0 "[ . 1 . 2]" 1 631 1 26 PHE H 1 28 GLU H 4.000 . 4.750 4.045 3.965 4.160 . 0 0 "[ . 1 . 2]" 1 632 1 26 PHE HA 1 28 GLU H 4.000 . 4.750 4.342 4.244 4.493 . 0 0 "[ . 1 . 2]" 1 633 1 26 PHE HB3 1 28 GLU H 5.000 . 6.000 5.004 4.930 5.097 . 0 0 "[ . 1 . 2]" 1 634 1 26 PHE QD 1 28 GLU H 5.000 . 6.000 5.761 5.675 5.853 . 0 0 "[ . 1 . 2]" 1 635 1 27 GLU H 1 29 HIS H 4.000 . 4.750 4.060 4.016 4.106 . 0 0 "[ . 1 . 2]" 1 636 1 27 GLU HA 1 29 HIS H 5.000 . 6.000 4.454 4.339 4.558 . 0 0 "[ . 1 . 2]" 1 637 1 28 GLU HA 1 30 VAL H 5.000 . 6.000 4.662 4.636 4.702 . 0 0 "[ . 1 . 2]" 1 638 1 28 GLU QB 1 30 VAL H 4.000 . 4.750 4.778 4.759 4.792 0.042 17 0 "[ . 1 . 2]" 1 639 1 29 HIS HD2 1 31 GLU H 5.000 . 6.000 5.205 5.142 5.293 . 0 0 "[ . 1 . 2]" 1 640 1 30 VAL H 1 32 SER H 5.000 . 6.000 3.878 3.799 3.957 . 0 0 "[ . 1 . 2]" 1 641 1 30 VAL HA 1 32 SER H 5.000 . 6.000 4.123 4.062 4.216 . 0 0 "[ . 1 . 2]" 1 642 1 30 VAL HB 1 32 SER H 5.000 . 6.000 4.776 4.609 4.903 . 0 0 "[ . 1 . 2]" 1 643 1 30 VAL MG1 1 32 SER H 5.000 . 6.000 4.811 4.695 4.882 . 0 0 "[ . 1 . 2]" 1 644 1 30 VAL MG2 1 32 SER H 5.000 . 6.000 5.121 5.027 5.225 . 0 0 "[ . 1 . 2]" 1 645 1 31 GLU H 1 33 HIS HD2 4.000 . 4.750 4.534 4.456 4.666 . 0 0 "[ . 1 . 2]" 1 646 1 31 GLU HA 1 33 HIS H 4.000 . 4.750 3.976 3.646 4.071 . 0 0 "[ . 1 . 2]" 1 647 1 31 GLU HA 1 33 HIS HD2 5.000 . 6.000 5.109 4.938 5.239 . 0 0 "[ . 1 . 2]" 1 648 1 31 GLU QB 1 33 HIS H 4.000 . 4.750 4.769 4.756 4.815 0.065 12 0 "[ . 1 . 2]" 1 649 1 32 SER HA 1 34 TRP H 4.000 . 4.750 4.067 4.011 4.111 . 0 0 "[ . 1 . 2]" 1 650 1 34 TRP H 1 36 VAL MG2 5.000 . 6.000 4.351 4.073 4.507 . 0 0 "[ . 1 . 2]" 1 651 1 34 TRP HE3 1 36 VAL MG1 5.000 . 6.000 6.010 6.001 6.040 0.040 15 0 "[ . 1 . 2]" 1 652 1 34 TRP HE3 1 36 VAL MG2 5.000 . 6.000 4.249 4.121 4.387 . 0 0 "[ . 1 . 2]" 1 653 1 35 LYS HA 1 37 CYS H 5.000 . 6.000 6.030 5.998 6.039 0.039 16 0 "[ . 1 . 2]" 1 654 1 36 VAL MG1 1 38 PRO HA 5.000 . 6.000 4.089 3.972 4.285 . 0 0 "[ . 1 . 2]" 1 655 1 37 CYS H 1 39 MET H 5.000 . 6.000 5.460 5.428 5.486 . 0 0 "[ . 1 . 2]" 1 656 1 37 CYS HA 1 39 MET H 5.000 . 6.000 3.759 3.729 3.781 . 0 0 "[ . 1 . 2]" 1 657 1 37 CYS HB3 1 39 MET H 4.000 . 4.750 3.853 3.824 3.891 . 0 0 "[ . 1 . 2]" 1 658 1 37 CYS HB2 1 39 MET H 5.000 . 6.000 4.569 4.533 4.624 . 0 0 "[ . 1 . 2]" 1 659 1 38 PRO HA 1 40 CYS H 5.000 . 6.000 4.158 4.131 4.185 . 0 0 "[ . 1 . 2]" 1 660 1 39 MET H 1 41 SER H 4.000 . 4.750 3.490 3.433 3.667 . 0 0 "[ . 1 . 2]" 1 661 1 39 MET H 1 41 SER HA 5.000 . 6.000 5.129 5.102 5.152 . 0 0 "[ . 1 . 2]" 1 662 1 40 CYS H 1 42 GLU H 4.000 . 4.750 3.695 3.567 3.800 . 0 0 "[ . 1 . 2]" 1 663 1 40 CYS HA 1 42 GLU H 5.000 . 6.000 5.152 4.971 5.303 . 0 0 "[ . 1 . 2]" 1 664 1 40 CYS HB2 1 42 GLU H 4.000 . 4.750 4.612 4.470 4.756 0.006 7 0 "[ . 1 . 2]" 1 665 1 42 GLU H 1 44 PHE HZ 5.000 . 6.000 5.556 5.374 5.629 . 0 0 "[ . 1 . 2]" 1 666 1 42 GLU H 1 44 PHE QE 4.000 . 4.750 4.022 3.867 4.207 . 0 0 "[ . 1 . 2]" 1 667 1 42 GLU HA 1 44 PHE H 5.000 . 6.000 6.055 6.031 6.063 0.063 1 0 "[ . 1 . 2]" 1 668 1 42 GLU HA 1 44 PHE HZ 5.000 . 6.000 5.919 5.534 6.005 0.005 18 0 "[ . 1 . 2]" 1 669 1 42 GLU HA 1 44 PHE QE 5.000 . 6.000 4.894 4.646 5.034 . 0 0 "[ . 1 . 2]" 1 670 1 42 GLU QB 1 44 PHE HZ 4.000 . 4.750 2.991 2.671 3.060 . 0 0 "[ . 1 . 2]" 1 671 1 42 GLU QB 1 44 PHE QD 5.000 . 6.000 3.702 3.588 3.895 . 0 0 "[ . 1 . 2]" 1 672 1 42 GLU QB 1 44 PHE QE 3.000 . 3.500 2.347 2.096 2.545 . 0 0 "[ . 1 . 2]" 1 673 1 42 GLU QG 1 44 PHE HZ 4.000 . 4.750 3.800 2.829 4.357 . 0 0 "[ . 1 . 2]" 1 674 1 42 GLU QG 1 44 PHE QD 5.000 . 6.000 5.061 3.926 5.639 . 0 0 "[ . 1 . 2]" 1 675 1 42 GLU QG 1 44 PHE QE 4.000 . 4.750 3.949 3.087 4.399 . 0 0 "[ . 1 . 2]" 1 676 1 46 PRO QB 1 48 TYR H 5.000 . 6.000 4.658 4.562 4.718 . 0 0 "[ . 1 . 2]" 1 677 1 48 TYR QD 1 50 GLN HA 5.000 . 6.000 4.460 4.146 4.572 . 0 0 "[ . 1 . 2]" 1 678 1 49 ASP HA 1 51 GLN H 4.000 . 4.750 3.786 3.665 3.854 . 0 0 "[ . 1 . 2]" 1 679 1 49 ASP QB 1 51 GLN H 5.000 . 6.000 2.967 2.659 3.496 . 0 0 "[ . 1 . 2]" 1 680 1 50 GLN H 1 52 VAL H 5.000 . 6.000 4.450 4.407 4.516 . 0 0 "[ . 1 . 2]" 1 681 1 50 GLN H 1 52 VAL MG2 5.000 . 6.000 5.163 5.037 5.304 . 0 0 "[ . 1 . 2]" 1 682 1 51 GLN H 1 53 PHE H 4.000 . 4.750 4.062 4.014 4.129 . 0 0 "[ . 1 . 2]" 1 683 1 51 GLN HA 1 53 PHE H 5.000 . 6.000 4.490 4.405 4.582 . 0 0 "[ . 1 . 2]" 1 684 1 51 GLN QB 1 53 PHE H 5.000 . 6.000 4.618 4.582 4.664 . 0 0 "[ . 1 . 2]" 1 685 1 51 GLN QG 1 53 PHE H 5.000 . 6.000 5.684 5.272 5.969 . 0 0 "[ . 1 . 2]" 1 686 1 52 VAL H 1 54 GLU H 4.000 . 4.750 4.282 4.243 4.330 . 0 0 "[ . 1 . 2]" 1 687 1 52 VAL HA 1 54 GLU H 4.000 . 4.750 4.746 4.707 4.770 0.020 5 0 "[ . 1 . 2]" 1 688 1 52 VAL MG1 1 54 GLU H 5.000 . 6.000 5.333 5.271 5.395 . 0 0 "[ . 1 . 2]" 1 689 1 52 VAL MG2 1 54 GLU H 5.000 . 6.000 5.494 5.454 5.531 . 0 0 "[ . 1 . 2]" 1 690 1 53 PHE H 1 55 ARG H 4.000 . 4.750 4.057 3.922 4.143 . 0 0 "[ . 1 . 2]" 1 691 1 53 PHE HA 1 55 ARG H 4.000 . 4.750 4.381 4.200 4.543 . 0 0 "[ . 1 . 2]" 1 692 1 53 PHE QD 1 55 ARG H 5.000 . 6.000 5.507 5.375 5.598 . 0 0 "[ . 1 . 2]" 1 693 1 54 GLU H 1 56 HIS H 4.000 . 4.750 4.146 4.082 4.272 . 0 0 "[ . 1 . 2]" 1 694 1 54 GLU HA 1 56 HIS H 5.000 . 6.000 4.352 4.314 4.492 . 0 0 "[ . 1 . 2]" 1 695 1 54 GLU HA 1 56 HIS HD2 5.000 . 6.000 5.756 5.645 5.869 . 0 0 "[ . 1 . 2]" 1 696 1 55 ARG HA 1 57 VAL H 4.000 . 4.750 4.646 4.571 4.714 . 0 0 "[ . 1 . 2]" 1 697 1 56 HIS H 1 58 GLN H 4.000 . 4.750 3.931 3.830 4.168 . 0 0 "[ . 1 . 2]" 1 698 1 56 HIS HA 1 58 GLN H 4.000 . 4.750 4.405 4.215 4.750 . 0 0 "[ . 1 . 2]" 1 699 1 56 HIS HB3 1 58 GLN H 5.000 . 6.000 4.912 4.783 5.116 . 0 0 "[ . 1 . 2]" 1 700 1 56 HIS HD2 1 58 GLN H 5.000 . 6.000 5.104 5.025 5.188 . 0 0 "[ . 1 . 2]" 1 701 1 57 VAL H 1 59 THR H 4.000 . 4.750 3.936 3.825 4.108 . 0 0 "[ . 1 . 2]" 1 702 1 57 VAL H 1 59 THR MG 5.000 . 6.000 5.385 4.367 6.007 0.007 3 0 "[ . 1 . 2]" 1 703 1 57 VAL HA 1 59 THR H 4.000 . 4.750 4.096 4.042 4.161 . 0 0 "[ . 1 . 2]" 1 704 1 57 VAL HB 1 59 THR H 5.000 . 6.000 4.916 4.704 5.102 . 0 0 "[ . 1 . 2]" 1 705 1 57 VAL MG1 1 59 THR H 5.000 . 6.000 5.128 5.006 5.239 . 0 0 "[ . 1 . 2]" 1 706 1 57 VAL MG2 1 59 THR H 5.000 . 6.000 4.969 4.834 5.111 . 0 0 "[ . 1 . 2]" 1 707 1 58 GLN H 1 60 HIS H 4.000 . 4.750 4.070 4.048 4.137 . 0 0 "[ . 1 . 2]" 1 708 1 58 GLN H 1 60 HIS HD2 5.000 . 6.000 4.794 4.720 4.878 . 0 0 "[ . 1 . 2]" 1 709 1 58 GLN HA 1 60 HIS H 4.000 . 4.750 3.756 3.717 3.814 . 0 0 "[ . 1 . 2]" 1 710 1 58 GLN QB 1 60 HIS H 5.000 . 6.000 4.500 4.487 4.510 . 0 0 "[ . 1 . 2]" 1 711 1 60 HIS H 1 62 ASP H 5.000 . 6.000 3.903 3.854 4.095 . 0 0 "[ . 1 . 2]" 1 712 1 60 HIS HA 1 62 ASP H 5.000 . 6.000 3.975 3.638 4.197 . 0 0 "[ . 1 . 2]" 1 713 1 18 PRO HA 1 21 TYR H 5.000 . 6.000 4.822 4.770 4.878 . 0 0 "[ . 1 . 2]" 1 714 1 18 PRO QB 1 21 TYR H 4.000 . 4.750 3.555 3.460 3.651 . 0 0 "[ . 1 . 2]" 1 715 1 18 PRO QB 1 21 TYR QD 4.000 . 4.750 4.577 4.406 4.680 . 0 0 "[ . 1 . 2]" 1 716 1 18 PRO QG 1 21 TYR HB2 4.000 . 4.750 2.222 2.100 2.353 . 0 0 "[ . 1 . 2]" 1 717 1 18 PRO QG 1 21 TYR QD 4.000 . 4.750 2.660 2.452 2.795 . 0 0 "[ . 1 . 2]" 1 718 1 18 PRO QG 1 21 TYR QE 4.000 . 4.750 4.640 4.413 4.756 0.006 9 0 "[ . 1 . 2]" 1 719 1 18 PRO QD 1 21 TYR QD 4.000 . 4.750 2.190 1.969 2.436 . 0 0 "[ . 1 . 2]" 1 720 1 18 PRO QD 1 21 TYR QE 4.000 . 4.750 3.851 3.675 4.011 . 0 0 "[ . 1 . 2]" 1 721 1 22 ASP HA 1 25 LYS H 5.000 . 6.000 4.546 4.442 4.651 . 0 0 "[ . 1 . 2]" 1 722 1 22 ASP QB 1 25 LYS H 4.000 . 4.750 2.417 2.263 2.617 . 0 0 "[ . 1 . 2]" 1 723 1 22 ASP QB 1 25 LYS QG 4.000 . 4.750 3.079 1.939 3.954 . 0 0 "[ . 1 . 2]" 1 724 1 23 GLN HA 1 26 PHE H 3.000 . 3.500 3.124 3.091 3.156 . 0 0 "[ . 1 . 2]" 1 725 1 23 GLN HA 1 26 PHE HB3 3.000 . 3.500 2.460 2.293 2.629 . 0 0 "[ . 1 . 2]" 1 726 1 23 GLN HA 1 26 PHE HB2 3.000 . 3.500 2.857 2.773 2.951 . 0 0 "[ . 1 . 2]" 1 727 1 23 GLN HA 1 26 PHE QD 4.000 . 4.750 3.820 3.602 4.008 . 0 0 "[ . 1 . 2]" 1 728 1 23 GLN HE21 1 26 PHE QD 4.000 . 4.750 3.532 2.204 4.753 0.003 11 0 "[ . 1 . 2]" 1 729 1 23 GLN HE22 1 26 PHE QD 5.000 . 6.000 4.122 2.228 5.922 . 0 0 "[ . 1 . 2]" 1 730 1 24 SER HA 1 27 GLU H 4.000 . 4.750 3.333 3.294 3.373 . 0 0 "[ . 1 . 2]" 1 731 1 24 SER HA 1 27 GLU QB 4.000 . 4.750 2.572 2.484 2.735 . 0 0 "[ . 1 . 2]" 1 732 1 24 SER HA 1 27 GLU QG 5.000 . 6.000 3.377 2.654 4.522 . 0 0 "[ . 1 . 2]" 1 733 1 24 SER QB 1 27 GLU H 4.000 . 4.750 4.752 4.706 4.776 0.026 17 0 "[ . 1 . 2]" 1 734 1 25 LYS HA 1 28 GLU H 3.000 . 3.500 3.391 3.350 3.430 . 0 0 "[ . 1 . 2]" 1 735 1 26 PHE HA 1 29 HIS H 3.000 . 3.500 3.307 3.235 3.399 . 0 0 "[ . 1 . 2]" 1 736 1 26 PHE HA 1 29 HIS HB3 4.000 . 4.750 2.368 2.283 2.457 . 0 0 "[ . 1 . 2]" 1 737 1 26 PHE HA 1 29 HIS HB2 4.000 . 4.750 3.814 3.679 3.952 . 0 0 "[ . 1 . 2]" 1 738 1 26 PHE HA 1 29 HIS HD2 4.000 . 4.750 3.796 3.677 3.959 . 0 0 "[ . 1 . 2]" 1 739 1 26 PHE QD 1 29 HIS HE1 5.000 . 6.000 6.033 6.019 6.047 0.047 12 0 "[ . 1 . 2]" 1 740 1 27 GLU H 1 30 VAL H 5.000 . 6.000 4.667 4.631 4.709 . 0 0 "[ . 1 . 2]" 1 741 1 27 GLU H 1 30 VAL MG2 5.000 . 6.000 4.362 4.228 4.513 . 0 0 "[ . 1 . 2]" 1 742 1 27 GLU HA 1 30 VAL H 4.000 . 4.750 3.617 3.473 3.708 . 0 0 "[ . 1 . 2]" 1 743 1 27 GLU HA 1 30 VAL HB 3.000 . 3.500 2.763 2.662 2.853 . 0 0 "[ . 1 . 2]" 1 744 1 27 GLU HA 1 30 VAL MG1 5.000 . 6.000 4.074 3.993 4.159 . 0 0 "[ . 1 . 2]" 1 745 1 27 GLU HA 1 30 VAL MG2 4.000 . 4.750 3.062 2.785 3.286 . 0 0 "[ . 1 . 2]" 1 746 1 28 GLU HA 1 31 GLU QB 3.000 . 3.500 2.640 2.326 3.517 0.017 12 0 "[ . 1 . 2]" 1 747 1 29 HIS H 1 32 SER H 5.000 . 6.000 4.456 4.377 4.532 . 0 0 "[ . 1 . 2]" 1 748 1 29 HIS HA 1 32 SER H 4.000 . 4.750 3.268 3.192 3.378 . 0 0 "[ . 1 . 2]" 1 749 1 29 HIS HA 1 32 SER QB 4.000 . 4.750 2.339 2.104 2.871 . 0 0 "[ . 1 . 2]" 1 750 1 29 HIS HB2 1 32 SER H 5.000 . 6.000 5.413 5.348 5.497 . 0 0 "[ . 1 . 2]" 1 751 1 30 VAL H 1 33 HIS H 5.000 . 6.000 5.232 5.168 5.284 . 0 0 "[ . 1 . 2]" 1 752 1 30 VAL H 1 33 HIS HD2 4.000 . 4.750 4.224 4.169 4.272 . 0 0 "[ . 1 . 2]" 1 753 1 30 VAL HA 1 33 HIS H 4.000 . 4.750 3.816 3.766 3.868 . 0 0 "[ . 1 . 2]" 1 754 1 30 VAL HA 1 33 HIS HD2 2.500 . 2.800 1.917 1.863 1.960 . 0 0 "[ . 1 . 2]" 1 755 1 30 VAL HB 1 33 HIS HD2 4.000 . 4.750 4.789 4.776 4.803 0.053 8 0 "[ . 1 . 2]" 1 756 1 30 VAL MG1 1 33 HIS HD2 4.000 . 4.750 3.583 3.453 3.662 . 0 0 "[ . 1 . 2]" 1 757 1 30 VAL MG2 1 33 HIS HD2 4.000 . 4.750 3.913 3.713 3.987 . 0 0 "[ . 1 . 2]" 1 758 1 31 GLU HA 1 34 TRP HD1 3.000 . 3.500 3.457 3.315 3.515 0.015 12 0 "[ . 1 . 2]" 1 759 1 31 GLU HA 1 34 TRP HE1 4.000 . 4.750 4.360 4.119 4.497 . 0 0 "[ . 1 . 2]" 1 760 1 31 GLU HA 1 34 TRP HE3 4.000 . 4.750 4.473 4.406 4.545 . 0 0 "[ . 1 . 2]" 1 761 1 31 GLU HA 1 34 TRP HZ3 5.000 . 6.000 5.965 5.820 6.044 0.044 12 0 "[ . 1 . 2]" 1 762 1 36 VAL MG1 1 39 MET H 5.000 . 6.000 5.495 5.444 5.570 . 0 0 "[ . 1 . 2]" 1 763 1 37 CYS H 1 40 CYS H 5.000 . 6.000 5.313 5.267 5.364 . 0 0 "[ . 1 . 2]" 1 764 1 37 CYS HA 1 40 CYS H 5.000 . 6.000 4.845 4.808 4.865 . 0 0 "[ . 1 . 2]" 1 765 1 37 CYS HB3 1 40 CYS H 4.000 . 4.750 3.269 3.210 3.309 . 0 0 "[ . 1 . 2]" 1 766 1 37 CYS HB2 1 40 CYS H 4.000 . 4.750 4.688 4.647 4.719 . 0 0 "[ . 1 . 2]" 1 767 1 39 MET H 1 42 GLU H 5.000 . 6.000 5.094 5.019 5.157 . 0 0 "[ . 1 . 2]" 1 768 1 45 PRO QB 1 48 TYR H 4.000 . 4.750 2.840 2.503 3.034 . 0 0 "[ . 1 . 2]" 1 769 1 45 PRO QB 1 48 TYR QD 4.000 . 4.750 3.751 3.458 3.909 . 0 0 "[ . 1 . 2]" 1 770 1 45 PRO QG 1 48 TYR H 4.000 . 4.750 4.507 4.272 4.734 . 0 0 "[ . 1 . 2]" 1 771 1 45 PRO QG 1 48 TYR HB3 5.000 . 6.000 5.406 4.959 5.768 . 0 0 "[ . 1 . 2]" 1 772 1 45 PRO QG 1 48 TYR QD 3.000 . 3.500 3.344 2.901 3.504 0.004 10 0 "[ . 1 . 2]" 1 773 1 45 PRO QG 1 48 TYR QE 5.000 . 6.000 4.714 4.316 4.910 . 0 0 "[ . 1 . 2]" 1 774 1 45 PRO QD 1 48 TYR QD 4.000 . 4.750 2.393 2.024 2.800 . 0 0 "[ . 1 . 2]" 1 775 1 45 PRO QD 1 48 TYR QE 5.000 . 6.000 3.839 3.605 4.060 . 0 0 "[ . 1 . 2]" 1 776 1 49 ASP H 1 52 VAL MG1 5.000 . 6.000 4.767 4.494 5.144 . 0 0 "[ . 1 . 2]" 1 777 1 49 ASP H 1 52 VAL MG2 5.000 . 6.000 3.440 3.279 3.701 . 0 0 "[ . 1 . 2]" 1 778 1 49 ASP HA 1 52 VAL MG2 5.000 . 6.000 4.445 4.282 4.616 . 0 0 "[ . 1 . 2]" 1 779 1 49 ASP QB 1 52 VAL H 4.000 . 4.750 2.410 2.233 2.663 . 0 0 "[ . 1 . 2]" 1 780 1 49 ASP QB 1 52 VAL HB 3.000 . 3.500 3.152 2.849 3.484 . 0 0 "[ . 1 . 2]" 1 781 1 49 ASP QB 1 52 VAL MG1 4.000 . 4.750 4.113 3.953 4.332 . 0 0 "[ . 1 . 2]" 1 782 1 49 ASP QB 1 52 VAL MG2 4.000 . 4.750 1.971 1.842 2.180 . 0 0 "[ . 1 . 2]" 1 783 1 50 GLN H 1 53 PHE H 5.000 . 6.000 4.838 4.758 4.916 . 0 0 "[ . 1 . 2]" 1 784 1 50 GLN HA 1 53 PHE H 4.000 . 4.750 3.285 3.219 3.347 . 0 0 "[ . 1 . 2]" 1 785 1 50 GLN HA 1 53 PHE HB3 3.000 . 3.500 2.371 2.314 2.444 . 0 0 "[ . 1 . 2]" 1 786 1 50 GLN HA 1 53 PHE HB2 3.000 . 3.500 3.518 3.509 3.525 0.025 12 0 "[ . 1 . 2]" 1 787 1 50 GLN HA 1 53 PHE QD 4.000 . 4.750 3.308 3.243 3.462 . 0 0 "[ . 1 . 2]" 1 788 1 50 GLN HE21 1 53 PHE QE 4.000 . 4.750 3.699 3.264 4.754 0.004 4 0 "[ . 1 . 2]" 1 789 1 50 GLN HE22 1 53 PHE QD 4.000 . 4.750 3.201 2.319 4.071 . 0 0 "[ . 1 . 2]" 1 790 1 50 GLN QB 1 53 PHE QD 5.000 . 6.000 4.507 4.302 4.717 . 0 0 "[ . 1 . 2]" 1 791 1 50 GLN QG 1 53 PHE QD 4.000 . 4.750 3.317 2.764 4.220 . 0 0 "[ . 1 . 2]" 1 792 1 51 GLN H 1 54 GLU H 5.000 . 6.000 4.668 4.608 4.745 . 0 0 "[ . 1 . 2]" 1 793 1 51 GLN HA 1 54 GLU H 4.000 . 4.750 3.721 3.682 3.761 . 0 0 "[ . 1 . 2]" 1 794 1 51 GLN HA 1 54 GLU QB 3.000 . 3.500 2.750 2.707 2.803 . 0 0 "[ . 1 . 2]" 1 795 1 52 VAL HA 1 55 ARG H 4.000 . 4.750 3.639 3.520 3.746 . 0 0 "[ . 1 . 2]" 1 796 1 52 VAL HA 1 55 ARG QB 3.000 . 3.500 3.025 2.404 3.511 0.011 19 0 "[ . 1 . 2]" 1 797 1 52 VAL HA 1 55 ARG QG 3.000 . 3.500 2.734 1.910 3.514 0.014 2 0 "[ . 1 . 2]" 1 798 1 52 VAL MG1 1 55 ARG H 5.000 . 6.000 4.802 4.593 4.973 . 0 0 "[ . 1 . 2]" 1 799 1 52 VAL MG1 1 55 ARG QD 5.000 . 6.000 3.785 2.608 5.413 . 0 0 "[ . 1 . 2]" 1 800 1 52 VAL MG2 1 55 ARG H 5.000 . 6.000 5.324 5.228 5.417 . 0 0 "[ . 1 . 2]" 1 801 1 52 VAL MG2 1 55 ARG QD 5.000 . 6.000 4.533 3.436 6.002 0.002 9 0 "[ . 1 . 2]" 1 802 1 53 PHE H 1 56 HIS HB2 5.000 . 6.000 5.879 5.672 6.014 0.014 7 0 "[ . 1 . 2]" 1 803 1 53 PHE HA 1 56 HIS H 4.000 . 4.750 3.370 3.313 3.430 . 0 0 "[ . 1 . 2]" 1 804 1 53 PHE HA 1 56 HIS HB3 3.000 . 3.500 2.493 2.369 2.596 . 0 0 "[ . 1 . 2]" 1 805 1 53 PHE HA 1 56 HIS HB2 4.000 . 4.750 3.775 3.607 3.876 . 0 0 "[ . 1 . 2]" 1 806 1 53 PHE HA 1 56 HIS HD2 5.000 . 6.000 4.277 4.158 4.410 . 0 0 "[ . 1 . 2]" 1 807 1 53 PHE HZ 1 56 HIS HD2 5.000 . 6.000 5.196 5.091 5.283 . 0 0 "[ . 1 . 2]" 1 808 1 53 PHE QD 1 56 HIS H 4.000 . 4.750 4.730 4.666 4.769 0.019 5 0 "[ . 1 . 2]" 1 809 1 53 PHE QD 1 56 HIS HB3 4.000 . 4.750 3.235 3.122 3.295 . 0 0 "[ . 1 . 2]" 1 810 1 53 PHE QD 1 56 HIS HB2 4.000 . 4.750 4.702 4.565 4.765 0.015 1 0 "[ . 1 . 2]" 1 811 1 53 PHE QD 1 56 HIS HD2 4.000 . 4.750 3.167 3.088 3.246 . 0 0 "[ . 1 . 2]" 1 812 1 54 GLU H 1 57 VAL MG2 5.000 . 6.000 3.850 3.777 3.893 . 0 0 "[ . 1 . 2]" 1 813 1 54 GLU HA 1 57 VAL H 4.000 . 4.750 3.483 3.412 3.534 . 0 0 "[ . 1 . 2]" 1 814 1 54 GLU HA 1 57 VAL MG1 5.000 . 6.000 4.549 4.392 4.681 . 0 0 "[ . 1 . 2]" 1 815 1 54 GLU HA 1 57 VAL MG2 4.000 . 4.750 2.257 2.169 2.312 . 0 0 "[ . 1 . 2]" 1 816 1 54 GLU QG 1 57 VAL MG2 5.000 . 6.000 3.786 3.607 4.109 . 0 0 "[ . 1 . 2]" 1 817 1 55 ARG H 1 58 GLN H 5.000 . 6.000 4.573 4.550 4.624 . 0 0 "[ . 1 . 2]" 1 818 1 56 HIS H 1 59 THR MG 5.000 . 6.000 5.319 3.885 5.918 . 0 0 "[ . 1 . 2]" 1 819 1 56 HIS HA 1 59 THR H 3.000 . 3.500 3.430 3.357 3.520 0.020 1 0 "[ . 1 . 2]" 1 820 1 56 HIS HB3 1 59 THR MG 5.000 . 6.000 5.516 4.566 6.058 0.058 16 0 "[ . 1 . 2]" 1 821 1 56 HIS HB2 1 59 THR MG 5.000 . 6.000 4.797 3.994 5.265 . 0 0 "[ . 1 . 2]" 1 822 1 56 HIS HD2 1 59 THR H 5.000 . 6.000 5.736 5.631 5.861 . 0 0 "[ . 1 . 2]" 1 823 1 56 HIS HE1 1 59 THR MG 5.000 . 6.000 5.543 4.482 5.983 . 0 0 "[ . 1 . 2]" 1 824 1 57 VAL HA 1 60 HIS HD2 3.000 . 3.500 1.892 1.870 1.927 . 0 0 "[ . 1 . 2]" 1 825 1 57 VAL HB 1 60 HIS HD2 4.000 . 4.750 4.805 4.784 4.816 0.066 2 0 "[ . 1 . 2]" 1 826 1 57 VAL MG1 1 60 HIS HD2 4.000 . 4.750 3.284 3.169 3.373 . 0 0 "[ . 1 . 2]" 1 827 1 57 VAL MG2 1 60 HIS HD2 4.000 . 4.750 4.068 4.013 4.193 . 0 0 "[ . 1 . 2]" 1 828 1 58 GLN H 1 61 PHE QD 4.000 . 4.750 4.642 4.022 4.767 0.017 16 0 "[ . 1 . 2]" 1 829 1 58 GLN H 1 61 PHE QE 4.000 . 4.750 4.418 3.802 4.563 . 0 0 "[ . 1 . 2]" 1 830 1 58 GLN HA 1 61 PHE HB3 4.000 . 4.750 4.270 4.101 4.626 . 0 0 "[ . 1 . 2]" 1 831 1 58 GLN HA 1 61 PHE HB2 4.000 . 4.750 2.847 2.706 3.195 . 0 0 "[ . 1 . 2]" 1 832 1 58 GLN HA 1 61 PHE QD 3.000 . 3.500 2.278 1.924 2.472 . 0 0 "[ . 1 . 2]" 1 833 1 58 GLN HA 1 61 PHE QE 4.000 . 4.750 3.302 2.935 3.417 . 0 0 "[ . 1 . 2]" 1 834 1 58 GLN HE21 1 61 PHE QD 4.000 . 4.750 2.931 2.831 3.488 . 0 0 "[ . 1 . 2]" 1 835 1 58 GLN HE22 1 61 PHE HB3 4.000 . 4.750 4.767 4.753 4.787 0.037 17 0 "[ . 1 . 2]" 1 836 1 58 GLN HE22 1 61 PHE HB2 4.000 . 4.750 4.363 4.189 4.478 . 0 0 "[ . 1 . 2]" 1 837 1 58 GLN QB 1 61 PHE QD 4.000 . 4.750 3.842 3.791 3.915 . 0 0 "[ . 1 . 2]" 1 838 1 58 GLN QB 1 61 PHE QE 4.000 . 4.750 4.761 4.748 4.792 0.042 1 0 "[ . 1 . 2]" 1 839 1 58 GLN QG 1 61 PHE QD 4.000 . 4.750 3.598 3.415 4.486 . 0 0 "[ . 1 . 2]" 1 840 1 58 GLN QG 1 61 PHE QE 4.000 . 4.750 3.516 3.297 4.487 . 0 0 "[ . 1 . 2]" 1 841 1 59 THR HA 1 62 ASP H 4.000 . 4.750 3.657 3.446 3.821 . 0 0 "[ . 1 . 2]" 1 842 1 59 THR HA 1 62 ASP QB 4.000 . 4.750 3.326 3.039 4.419 . 0 0 "[ . 1 . 2]" 1 843 1 59 THR MG 1 62 ASP H 5.000 . 6.000 4.956 4.650 5.447 . 0 0 "[ . 1 . 2]" 1 844 1 17 PHE HA 1 21 TYR HB2 5.000 . 6.000 4.201 4.104 4.300 . 0 0 "[ . 1 . 2]" 1 845 1 17 PHE HA 1 21 TYR QD 5.000 . 6.000 4.004 3.707 4.239 . 0 0 "[ . 1 . 2]" 1 846 1 17 PHE HB3 1 21 TYR HB2 4.000 . 4.750 2.544 2.451 2.636 . 0 0 "[ . 1 . 2]" 1 847 1 17 PHE HB3 1 21 TYR QD 3.000 . 3.500 2.953 2.739 3.118 . 0 0 "[ . 1 . 2]" 1 848 1 17 PHE HB2 1 21 TYR H 5.000 . 6.000 5.707 5.592 5.789 . 0 0 "[ . 1 . 2]" 1 849 1 17 PHE HB2 1 21 TYR HB2 4.000 . 4.750 4.010 3.858 4.117 . 0 0 "[ . 1 . 2]" 1 850 1 17 PHE HB2 1 21 TYR QD 4.000 . 4.750 4.182 4.005 4.295 . 0 0 "[ . 1 . 2]" 1 851 1 17 PHE QD 1 21 TYR HB2 4.000 . 4.750 4.510 4.441 4.568 . 0 0 "[ . 1 . 2]" 1 852 1 17 PHE QE 1 21 TYR QD 4.000 . 4.750 4.707 4.612 4.763 0.013 11 0 "[ . 1 . 2]" 1 853 1 21 TYR QD 1 25 LYS H 4.000 . 4.750 4.759 4.755 4.765 0.015 11 0 "[ . 1 . 2]" 1 854 1 21 TYR QD 1 25 LYS QB 4.000 . 4.750 3.583 3.453 3.663 . 0 0 "[ . 1 . 2]" 1 855 1 21 TYR QE 1 25 LYS H 4.000 . 4.750 4.008 3.938 4.125 . 0 0 "[ . 1 . 2]" 1 856 1 21 TYR QE 1 25 LYS QB 3.000 . 3.500 2.395 2.244 2.515 . 0 0 "[ . 1 . 2]" 1 857 1 21 TYR QE 1 25 LYS QG 4.000 . 4.750 4.234 3.938 4.469 . 0 0 "[ . 1 . 2]" 1 858 1 21 TYR QE 1 25 LYS QD 5.000 . 6.000 3.806 3.198 4.502 . 0 0 "[ . 1 . 2]" 1 859 1 21 TYR QE 1 25 LYS QE 5.000 . 6.000 4.494 2.655 5.595 . 0 0 "[ . 1 . 2]" 1 860 1 22 ASP QB 1 26 PHE H 5.000 . 6.000 4.116 3.847 4.298 . 0 0 "[ . 1 . 2]" 1 861 1 23 GLN HA 1 27 GLU H 4.000 . 4.750 4.070 3.987 4.197 . 0 0 "[ . 1 . 2]" 1 862 1 23 GLN HE21 1 27 GLU QG 4.000 . 4.750 3.121 2.112 4.651 . 0 0 "[ . 1 . 2]" 1 863 1 23 GLN HE22 1 27 GLU H 5.000 . 6.000 5.363 4.083 6.001 0.001 20 0 "[ . 1 . 2]" 1 864 1 24 SER HA 1 28 GLU H 4.000 . 4.750 4.292 4.233 4.325 . 0 0 "[ . 1 . 2]" 1 865 1 26 PHE HA 1 30 VAL H 4.000 . 4.750 3.748 3.653 3.885 . 0 0 "[ . 1 . 2]" 1 866 1 26 PHE HZ 1 30 VAL MG1 4.000 . 4.750 4.704 4.438 4.759 0.009 20 0 "[ . 1 . 2]" 1 867 1 26 PHE HZ 1 30 VAL MG2 4.000 . 4.750 3.059 2.941 3.132 . 0 0 "[ . 1 . 2]" 1 868 1 26 PHE QD 1 30 VAL H 5.000 . 6.000 4.454 4.379 4.501 . 0 0 "[ . 1 . 2]" 1 869 1 26 PHE QD 1 30 VAL HB 5.000 . 6.000 5.023 4.871 5.143 . 0 0 "[ . 1 . 2]" 1 870 1 26 PHE QD 1 30 VAL MG1 5.000 . 6.000 5.024 4.939 5.156 . 0 0 "[ . 1 . 2]" 1 871 1 26 PHE QD 1 30 VAL MG2 5.000 . 6.000 3.010 2.917 3.121 . 0 0 "[ . 1 . 2]" 1 872 1 26 PHE QE 1 30 VAL MG1 4.000 . 4.750 4.409 4.271 4.513 . 0 0 "[ . 1 . 2]" 1 873 1 28 GLU HA 1 32 SER H 5.000 . 6.000 4.111 3.960 4.254 . 0 0 "[ . 1 . 2]" 1 874 1 28 GLU QB 1 32 SER H 5.000 . 6.000 4.787 4.708 4.916 . 0 0 "[ . 1 . 2]" 1 875 1 29 HIS HA 1 33 HIS H 4.000 . 4.750 4.806 4.789 4.830 0.080 15 0 "[ . 1 . 2]" 1 876 1 29 HIS HD2 1 33 HIS HD2 4.000 . 4.750 4.043 3.874 4.228 . 0 0 "[ . 1 . 2]" 1 877 1 29 HIS HE1 1 33 HIS HD2 5.000 . 6.000 5.154 4.973 5.302 . 0 0 "[ . 1 . 2]" 1 878 1 29 HIS HE1 1 33 HIS HE1 4.000 . 4.750 3.330 3.056 3.613 . 0 0 "[ . 1 . 2]" 1 879 1 30 VAL HB 1 34 TRP HE1 5.000 . 6.000 5.303 4.854 5.699 . 0 0 "[ . 1 . 2]" 1 880 1 30 VAL MG1 1 34 TRP HD1 4.000 . 4.750 3.589 3.330 3.877 . 0 0 "[ . 1 . 2]" 1 881 1 30 VAL MG1 1 34 TRP HE1 5.000 . 6.000 2.691 2.334 3.036 . 0 0 "[ . 1 . 2]" 1 882 1 30 VAL MG1 1 34 TRP HE3 5.000 . 6.000 6.013 5.981 6.034 0.034 7 0 "[ . 1 . 2]" 1 883 1 30 VAL MG1 1 34 TRP HZ2 5.000 . 6.000 3.837 3.616 4.050 . 0 0 "[ . 1 . 2]" 1 884 1 30 VAL MG1 1 34 TRP HH2 5.000 . 6.000 5.458 5.373 5.575 . 0 0 "[ . 1 . 2]" 1 885 1 30 VAL MG2 1 34 TRP HE1 5.000 . 6.000 5.292 5.006 5.608 . 0 0 "[ . 1 . 2]" 1 886 1 36 VAL MG1 1 40 CYS H 5.000 . 6.000 5.185 5.127 5.248 . 0 0 "[ . 1 . 2]" 1 887 1 37 CYS H 1 41 SER H 5.000 . 6.000 4.361 4.132 4.435 . 0 0 "[ . 1 . 2]" 1 888 1 37 CYS H 1 41 SER HA 5.000 . 6.000 4.199 4.056 4.304 . 0 0 "[ . 1 . 2]" 1 889 1 37 CYS HB3 1 41 SER HA 5.000 . 6.000 4.133 3.977 4.228 . 0 0 "[ . 1 . 2]" 1 890 1 37 CYS HB2 1 41 SER H 4.000 . 4.750 4.625 4.334 4.750 . 0 0 "[ . 1 . 2]" 1 891 1 44 PHE HA 1 48 TYR HB2 5.000 . 6.000 3.901 3.689 4.293 . 0 0 "[ . 1 . 2]" 1 892 1 44 PHE HA 1 48 TYR QD 5.000 . 6.000 4.214 3.813 4.619 . 0 0 "[ . 1 . 2]" 1 893 1 44 PHE HB3 1 48 TYR H 5.000 . 6.000 4.789 4.582 4.990 . 0 0 "[ . 1 . 2]" 1 894 1 44 PHE HB3 1 48 TYR QD 4.000 . 4.750 3.175 2.900 3.293 . 0 0 "[ . 1 . 2]" 1 895 1 44 PHE HB2 1 48 TYR QD 4.000 . 4.750 4.510 3.753 4.683 . 0 0 "[ . 1 . 2]" 1 896 1 44 PHE QD 1 48 TYR HB2 4.000 . 4.750 4.053 3.840 4.615 . 0 0 "[ . 1 . 2]" 1 897 1 44 PHE QD 1 48 TYR QD 4.000 . 4.750 2.881 2.743 3.151 . 0 0 "[ . 1 . 2]" 1 898 1 44 PHE QD 1 48 TYR QE 3.000 . 3.500 2.911 2.712 3.174 . 0 0 "[ . 1 . 2]" 1 899 1 44 PHE QE 1 48 TYR QD 4.000 . 4.750 4.323 4.207 4.721 . 0 0 "[ . 1 . 2]" 1 900 1 44 PHE QE 1 48 TYR QE 3.000 . 3.500 3.063 2.889 3.500 . 0 0 "[ . 1 . 2]" 1 901 1 48 TYR QD 1 52 VAL HA 5.000 . 6.000 5.626 5.441 5.788 . 0 0 "[ . 1 . 2]" 1 902 1 48 TYR QD 1 52 VAL HB 4.000 . 4.750 2.909 2.678 3.121 . 0 0 "[ . 1 . 2]" 1 903 1 48 TYR QD 1 52 VAL MG1 5.000 . 6.000 3.797 3.700 4.016 . 0 0 "[ . 1 . 2]" 1 904 1 48 TYR QD 1 52 VAL MG2 5.000 . 6.000 4.078 3.851 4.262 . 0 0 "[ . 1 . 2]" 1 905 1 48 TYR QE 1 52 VAL H 4.000 . 4.750 4.704 4.443 4.756 0.006 20 0 "[ . 1 . 2]" 1 906 1 48 TYR QE 1 52 VAL HB 4.000 . 4.750 2.179 2.000 2.274 . 0 0 "[ . 1 . 2]" 1 907 1 48 TYR QE 1 52 VAL MG1 4.000 . 4.750 1.979 1.916 2.241 . 0 0 "[ . 1 . 2]" 1 908 1 48 TYR QE 1 52 VAL MG2 5.000 . 6.000 3.508 3.294 3.634 . 0 0 "[ . 1 . 2]" 1 909 1 49 ASP QB 1 53 PHE H 5.000 . 6.000 4.094 3.917 4.256 . 0 0 "[ . 1 . 2]" 1 910 1 50 GLN HA 1 54 GLU H 4.000 . 4.750 3.635 3.508 3.755 . 0 0 "[ . 1 . 2]" 1 911 1 50 GLN HE21 1 54 GLU H 5.000 . 6.000 4.203 3.568 5.927 . 0 0 "[ . 1 . 2]" 1 912 1 50 GLN HE21 1 54 GLU QB 5.000 . 6.000 4.454 3.815 6.008 0.008 4 0 "[ . 1 . 2]" 1 913 1 50 GLN HE21 1 54 GLU QG 4.000 . 4.750 2.596 2.010 4.507 . 0 0 "[ . 1 . 2]" 1 914 1 50 GLN HE22 1 54 GLU H 5.000 . 6.000 5.281 4.389 5.991 . 0 0 "[ . 1 . 2]" 1 915 1 50 GLN HE22 1 54 GLU QG 4.000 . 4.750 3.223 1.873 4.141 . 0 0 "[ . 1 . 2]" 1 916 1 50 GLN QB 1 54 GLU QG 5.000 . 6.000 4.021 3.378 4.853 . 0 0 "[ . 1 . 2]" 1 917 1 50 GLN QG 1 54 GLU H 5.000 . 6.000 3.913 3.161 5.227 . 0 0 "[ . 1 . 2]" 1 918 1 52 VAL MG1 1 56 HIS HB2 5.000 . 6.000 3.782 3.612 3.947 . 0 0 "[ . 1 . 2]" 1 919 1 53 PHE HA 1 57 VAL H 4.000 . 4.750 3.996 3.955 4.068 . 0 0 "[ . 1 . 2]" 1 920 1 53 PHE HZ 1 57 VAL H 5.000 . 6.000 5.906 5.877 5.940 . 0 0 "[ . 1 . 2]" 1 921 1 53 PHE HZ 1 57 VAL HA 5.000 . 6.000 5.982 5.893 6.026 0.026 12 0 "[ . 1 . 2]" 1 922 1 53 PHE HZ 1 57 VAL HB 5.000 . 6.000 5.180 5.131 5.201 . 0 0 "[ . 1 . 2]" 1 923 1 53 PHE HZ 1 57 VAL MG1 5.000 . 6.000 3.502 3.382 3.574 . 0 0 "[ . 1 . 2]" 1 924 1 53 PHE HZ 1 57 VAL MG2 4.000 . 4.750 2.586 2.547 2.612 . 0 0 "[ . 1 . 2]" 1 925 1 53 PHE QD 1 57 VAL MG2 5.000 . 6.000 2.708 2.692 2.730 . 0 0 "[ . 1 . 2]" 1 926 1 53 PHE QE 1 57 VAL H 5.000 . 6.000 4.566 4.512 4.610 . 0 0 "[ . 1 . 2]" 1 927 1 53 PHE QE 1 57 VAL HA 4.000 . 4.750 4.768 4.753 4.781 0.031 1 0 "[ . 1 . 2]" 1 928 1 53 PHE QE 1 57 VAL HB 4.000 . 4.750 4.800 4.789 4.812 0.062 18 0 "[ . 1 . 2]" 1 929 1 53 PHE QE 1 57 VAL MG1 5.000 . 6.000 3.369 3.161 3.490 . 0 0 "[ . 1 . 2]" 1 930 1 53 PHE QE 1 57 VAL MG2 4.000 . 4.750 2.311 2.289 2.352 . 0 0 "[ . 1 . 2]" 1 931 1 54 GLU HA 1 58 GLN H 4.000 . 4.750 3.783 3.459 4.039 . 0 0 "[ . 1 . 2]" 1 932 1 54 GLU HA 1 58 GLN HE21 5.000 . 6.000 4.811 4.604 4.981 . 0 0 "[ . 1 . 2]" 1 933 1 54 GLU QB 1 58 GLN HE22 5.000 . 6.000 6.013 5.996 6.032 0.032 1 0 "[ . 1 . 2]" 1 934 1 56 HIS HD2 1 60 HIS H 5.000 . 6.000 5.935 5.887 5.996 . 0 0 "[ . 1 . 2]" 1 935 1 56 HIS HD2 1 60 HIS HD2 3.000 . 3.500 3.530 3.520 3.541 0.041 6 0 "[ . 1 . 2]" 1 936 1 56 HIS HE1 1 60 HIS HD2 4.000 . 4.750 4.786 4.776 4.800 0.050 12 0 "[ . 1 . 2]" 1 937 1 57 VAL MG1 1 61 PHE QD 4.000 . 4.750 4.034 3.889 4.193 . 0 0 "[ . 1 . 2]" 1 938 1 57 VAL MG1 1 61 PHE QE 4.000 . 4.750 2.604 1.972 2.799 . 0 0 "[ . 1 . 2]" 1 939 1 58 GLN HA 1 62 ASP H 4.000 . 4.750 4.523 4.381 4.769 0.019 7 0 "[ . 1 . 2]" 1 940 1 6 VAL QG 1 21 TYR H 5.000 . 6.000 5.810 5.499 6.009 0.009 5 0 "[ . 1 . 2]" 1 941 1 7 HIS H 1 16 MET ME 5.000 . 6.000 4.299 3.551 5.591 . 0 0 "[ . 1 . 2]" 1 942 1 7 HIS HB3 1 16 MET ME 5.000 . 6.000 2.878 2.060 3.581 . 0 0 "[ . 1 . 2]" 1 943 1 7 HIS HB2 1 16 MET ME 5.000 . 6.000 2.634 1.935 3.904 . 0 0 "[ . 1 . 2]" 1 944 1 7 HIS HE1 1 16 MET ME 5.000 . 6.000 4.677 3.361 5.652 . 0 0 "[ . 1 . 2]" 1 945 1 7 HIS HD2 1 17 PHE HA 5.000 . 6.000 5.110 4.848 5.262 . 0 0 "[ . 1 . 2]" 1 946 1 7 HIS HD2 1 18 PRO HA 4.000 . 4.750 2.026 1.965 2.162 . 0 0 "[ . 1 . 2]" 1 947 1 7 HIS HE1 1 18 PRO QD 5.000 . 6.000 5.999 5.907 6.007 0.007 17 0 "[ . 1 . 2]" 1 948 1 7 HIS HD2 1 19 PRO HA 5.000 . 6.000 3.951 3.670 4.148 . 0 0 "[ . 1 . 2]" 1 949 1 7 HIS HD2 1 19 PRO QB 4.000 . 4.750 4.293 3.925 4.665 . 0 0 "[ . 1 . 2]" 1 950 1 8 LYS H 1 16 MET ME 5.000 . 6.000 5.401 4.531 6.003 0.003 12 0 "[ . 1 . 2]" 1 951 1 8 LYS H 1 17 PHE H 5.000 . 6.000 3.119 2.770 3.559 . 0 0 "[ . 1 . 2]" 1 952 1 8 LYS H 1 17 PHE HB2 5.000 . 6.000 2.999 2.720 3.388 . 0 0 "[ . 1 . 2]" 1 953 1 8 LYS HB3 1 17 PHE QD 4.000 . 4.750 3.065 2.507 3.613 . 0 0 "[ . 1 . 2]" 1 954 1 8 LYS HB2 1 17 PHE QD 5.000 . 6.000 3.233 3.087 3.699 . 0 0 "[ . 1 . 2]" 1 955 1 8 LYS H 1 19 PRO HA 5.000 . 6.000 4.473 4.190 4.731 . 0 0 "[ . 1 . 2]" 1 956 1 8 LYS QG 1 19 PRO HA 5.000 . 6.000 4.253 3.667 4.723 . 0 0 "[ . 1 . 2]" 1 957 1 8 LYS QD 1 21 TYR QD 4.000 . 4.750 3.664 3.089 4.753 0.003 19 0 "[ . 1 . 2]" 1 958 1 8 LYS HA 1 26 PHE QE 5.000 . 6.000 5.107 4.982 5.226 . 0 0 "[ . 1 . 2]" 1 959 1 8 LYS HB3 1 26 PHE QD 5.000 . 6.000 3.859 3.552 4.072 . 0 0 "[ . 1 . 2]" 1 960 1 8 LYS HB3 1 26 PHE QE 4.000 . 4.750 3.524 3.341 3.635 . 0 0 "[ . 1 . 2]" 1 961 1 8 LYS HB2 1 26 PHE QD 5.000 . 6.000 4.585 4.414 4.784 . 0 0 "[ . 1 . 2]" 1 962 1 8 LYS HB2 1 26 PHE QE 4.000 . 4.750 4.691 4.552 4.763 0.013 7 0 "[ . 1 . 2]" 1 963 1 8 LYS QG 1 26 PHE QD 5.000 . 6.000 4.758 4.336 5.033 . 0 0 "[ . 1 . 2]" 1 964 1 8 LYS QG 1 26 PHE QE 4.000 . 4.750 4.617 4.424 4.753 0.003 3 0 "[ . 1 . 2]" 1 965 1 8 LYS QD 1 26 PHE H 5.000 . 6.000 5.452 4.979 5.977 . 0 0 "[ . 1 . 2]" 1 966 1 8 LYS QD 1 26 PHE QD 4.000 . 4.750 3.520 2.817 4.127 . 0 0 "[ . 1 . 2]" 1 967 1 8 LYS QD 1 26 PHE QE 4.000 . 4.750 4.051 2.921 4.752 0.002 2 0 "[ . 1 . 2]" 1 968 1 8 LYS QE 1 26 PHE QD 4.000 . 4.750 3.310 2.427 4.556 . 0 0 "[ . 1 . 2]" 1 969 1 8 LYS QE 1 26 PHE QE 4.000 . 4.750 3.713 2.234 4.663 . 0 0 "[ . 1 . 2]" 1 970 1 9 LYS QE 1 14 GLU HA 3.000 . 3.500 2.710 2.008 3.220 . 0 0 "[ . 1 . 2]" 1 971 1 9 LYS QE 1 14 GLU QB 4.000 . 4.750 3.828 3.147 4.474 . 0 0 "[ . 1 . 2]" 1 972 1 9 LYS QE 1 14 GLU QG 4.000 . 4.750 3.564 2.754 4.751 0.001 19 0 "[ . 1 . 2]" 1 973 1 9 LYS H 1 16 MET HA 5.000 . 6.000 5.185 4.866 5.576 . 0 0 "[ . 1 . 2]" 1 974 1 9 LYS HA 1 16 MET HA 5.000 . 6.000 3.086 2.802 3.400 . 0 0 "[ . 1 . 2]" 1 975 1 9 LYS HA 1 16 MET QG 5.000 . 6.000 4.090 3.583 4.938 . 0 0 "[ . 1 . 2]" 1 976 1 9 LYS QE 1 16 MET ME 5.000 . 6.000 4.125 2.525 5.499 . 0 0 "[ . 1 . 2]" 1 977 1 9 LYS HA 1 17 PHE H 4.000 . 4.750 3.701 3.487 3.918 . 0 0 "[ . 1 . 2]" 1 978 1 9 LYS HA 1 17 PHE QD 5.000 . 6.000 4.479 4.299 4.638 . 0 0 "[ . 1 . 2]" 1 979 1 9 LYS HA 1 17 PHE QE 5.000 . 6.000 5.246 5.130 5.445 . 0 0 "[ . 1 . 2]" 1 980 1 9 LYS H 1 26 PHE HZ 5.000 . 6.000 4.253 3.912 4.559 . 0 0 "[ . 1 . 2]" 1 981 1 9 LYS H 1 26 PHE QE 5.000 . 6.000 4.632 4.421 4.843 . 0 0 "[ . 1 . 2]" 1 982 1 9 LYS HA 1 26 PHE QD 5.000 . 6.000 5.812 5.668 5.930 . 0 0 "[ . 1 . 2]" 1 983 1 9 LYS HA 1 26 PHE QE 5.000 . 6.000 3.943 3.785 4.039 . 0 0 "[ . 1 . 2]" 1 984 1 10 CYS H 1 17 PHE QE 4.000 . 4.750 4.194 4.039 4.407 . 0 0 "[ . 1 . 2]" 1 985 1 10 CYS HB3 1 17 PHE QE 4.000 . 4.750 3.923 3.846 4.091 . 0 0 "[ . 1 . 2]" 1 986 1 10 CYS HB2 1 17 PHE HZ 5.000 . 6.000 4.616 4.542 4.745 . 0 0 "[ . 1 . 2]" 1 987 1 10 CYS HB2 1 17 PHE QE 3.000 . 3.500 2.924 2.828 3.074 . 0 0 "[ . 1 . 2]" 1 988 1 10 CYS H 1 26 PHE QE 4.000 . 4.750 2.844 2.732 2.916 . 0 0 "[ . 1 . 2]" 1 989 1 10 CYS HA 1 26 PHE HZ 5.000 . 6.000 1.922 1.899 1.960 . 0 0 "[ . 1 . 2]" 1 990 1 10 CYS HA 1 26 PHE QE 5.000 . 6.000 2.837 2.764 2.906 . 0 0 "[ . 1 . 2]" 1 991 1 10 CYS HB2 1 26 PHE QD 5.000 . 6.000 3.735 3.674 3.877 . 0 0 "[ . 1 . 2]" 1 992 1 10 CYS H 1 29 HIS HD2 5.000 . 6.000 4.873 4.784 4.947 . 0 0 "[ . 1 . 2]" 1 993 1 10 CYS HB3 1 29 HIS HD2 3.000 . 3.500 3.521 3.508 3.538 0.038 19 0 "[ . 1 . 2]" 1 994 1 10 CYS HB2 1 29 HIS HD2 3.000 . 3.500 2.256 2.161 2.333 . 0 0 "[ . 1 . 2]" 1 995 1 10 CYS HB2 1 30 VAL MG1 5.000 . 6.000 4.448 4.136 4.714 . 0 0 "[ . 1 . 2]" 1 996 1 10 CYS HB2 1 30 VAL MG2 5.000 . 6.000 2.704 2.337 2.919 . 0 0 "[ . 1 . 2]" 1 997 1 11 PRO HA 1 26 PHE HZ 5.000 . 6.000 6.028 6.016 6.043 0.043 7 0 "[ . 1 . 2]" 1 998 1 11 PRO QG 1 26 PHE HZ 4.000 . 4.750 4.473 4.135 4.753 0.003 16 0 "[ . 1 . 2]" 1 999 1 11 PRO QG 1 26 PHE QE 5.000 . 6.000 4.821 4.564 5.016 . 0 0 "[ . 1 . 2]" 1 1000 1 11 PRO QD 1 26 PHE HZ 3.000 . 3.500 2.702 2.570 2.846 . 0 0 "[ . 1 . 2]" 1 1001 1 11 PRO QD 1 26 PHE QE 4.000 . 4.750 3.600 3.538 3.654 . 0 0 "[ . 1 . 2]" 1 1002 1 11 PRO QB 1 30 VAL MG2 5.000 . 6.000 5.162 4.978 5.340 . 0 0 "[ . 1 . 2]" 1 1003 1 11 PRO QG 1 30 VAL MG1 5.000 . 6.000 3.483 2.653 4.388 . 0 0 "[ . 1 . 2]" 1 1004 1 11 PRO QG 1 30 VAL MG2 5.000 . 6.000 4.108 3.546 4.656 . 0 0 "[ . 1 . 2]" 1 1005 1 11 PRO QD 1 30 VAL MG1 5.000 . 6.000 2.597 1.943 3.288 . 0 0 "[ . 1 . 2]" 1 1006 1 11 PRO QD 1 30 VAL MG2 5.000 . 6.000 2.631 2.160 3.081 . 0 0 "[ . 1 . 2]" 1 1007 1 12 LEU MD1 1 30 VAL HA 4.000 . 4.750 2.347 2.202 2.471 . 0 0 "[ . 1 . 2]" 1 1008 1 12 LEU MD1 1 30 VAL MG1 4.000 . 4.750 1.795 1.779 1.831 0.021 1 0 "[ . 1 . 2]" 1 1009 1 12 LEU MD2 1 30 VAL MG1 4.000 . 4.750 3.865 3.710 4.005 . 0 0 "[ . 1 . 2]" 1 1010 1 12 LEU H 1 33 HIS HD2 5.000 . 6.000 4.897 4.764 5.338 . 0 0 "[ . 1 . 2]" 1 1011 1 12 LEU HB3 1 33 HIS HD2 4.000 . 4.750 3.762 3.589 3.975 . 0 0 "[ . 1 . 2]" 1 1012 1 12 LEU HB2 1 33 HIS HD2 4.000 . 4.750 2.798 2.588 3.005 . 0 0 "[ . 1 . 2]" 1 1013 1 12 LEU HG 1 33 HIS HD2 4.000 . 4.750 4.769 4.762 4.777 0.027 9 0 "[ . 1 . 2]" 1 1014 1 12 LEU MD1 1 33 HIS HB3 4.000 . 4.750 3.271 3.005 3.393 . 0 0 "[ . 1 . 2]" 1 1015 1 12 LEU MD1 1 33 HIS HB2 4.000 . 4.750 1.897 1.840 1.949 . 0 0 "[ . 1 . 2]" 1 1016 1 12 LEU MD1 1 33 HIS HD2 4.000 . 4.750 2.159 1.928 2.391 . 0 0 "[ . 1 . 2]" 1 1017 1 12 LEU MD2 1 33 HIS H 5.000 . 6.000 4.557 4.169 5.018 . 0 0 "[ . 1 . 2]" 1 1018 1 12 LEU MD2 1 33 HIS HB3 4.000 . 4.750 2.507 2.148 3.023 . 0 0 "[ . 1 . 2]" 1 1019 1 12 LEU MD2 1 33 HIS HB2 5.000 . 6.000 2.357 1.970 2.946 . 0 0 "[ . 1 . 2]" 1 1020 1 12 LEU MD2 1 33 HIS HD2 4.000 . 4.750 4.247 4.015 4.524 . 0 0 "[ . 1 . 2]" 1 1021 1 12 LEU MD2 1 33 HIS HE1 5.000 . 6.000 6.016 5.949 6.037 0.037 5 0 "[ . 1 . 2]" 1 1022 1 12 LEU HB3 1 34 TRP HD1 4.000 . 4.750 4.650 4.447 4.762 0.012 12 0 "[ . 1 . 2]" 1 1023 1 12 LEU HG 1 34 TRP HD1 5.000 . 6.000 4.364 4.067 4.651 . 0 0 "[ . 1 . 2]" 1 1024 1 12 LEU MD1 1 34 TRP H 5.000 . 6.000 3.425 3.309 3.598 . 0 0 "[ . 1 . 2]" 1 1025 1 12 LEU MD1 1 34 TRP HD1 4.000 . 4.750 1.891 1.817 1.997 . 0 0 "[ . 1 . 2]" 1 1026 1 12 LEU MD1 1 34 TRP HE1 5.000 . 6.000 2.062 1.937 2.177 . 0 0 "[ . 1 . 2]" 1 1027 1 12 LEU MD1 1 34 TRP HE3 5.000 . 6.000 6.021 5.982 6.038 0.038 10 0 "[ . 1 . 2]" 1 1028 1 12 LEU MD1 1 34 TRP HZ2 5.000 . 6.000 4.371 4.252 4.510 . 0 0 "[ . 1 . 2]" 1 1029 1 12 LEU MD2 1 34 TRP HD1 5.000 . 6.000 2.367 1.942 2.777 . 0 0 "[ . 1 . 2]" 1 1030 1 12 LEU MD2 1 34 TRP HE1 5.000 . 6.000 2.866 2.403 3.341 . 0 0 "[ . 1 . 2]" 1 1031 1 12 LEU MD2 1 34 TRP HZ2 5.000 . 6.000 5.122 4.645 5.492 . 0 0 "[ . 1 . 2]" 1 1032 1 12 LEU MD1 1 46 PRO HA 5.000 . 6.000 5.821 5.511 6.018 0.018 11 0 "[ . 1 . 2]" 1 1033 1 12 LEU MD1 1 46 PRO QB 4.000 . 4.750 4.255 3.878 4.760 0.010 12 0 "[ . 1 . 2]" 1 1034 1 12 LEU MD1 1 46 PRO QG 4.000 . 4.750 3.245 2.824 3.571 . 0 0 "[ . 1 . 2]" 1 1035 1 12 LEU MD1 1 46 PRO QD 5.000 . 6.000 3.600 3.271 3.832 . 0 0 "[ . 1 . 2]" 1 1036 1 12 LEU MD2 1 46 PRO HA 5.000 . 6.000 4.088 3.753 4.655 . 0 0 "[ . 1 . 2]" 1 1037 1 12 LEU MD2 1 46 PRO QB 4.000 . 4.750 2.368 1.980 3.068 . 0 0 "[ . 1 . 2]" 1 1038 1 12 LEU MD2 1 46 PRO QG 4.000 . 4.750 1.947 1.775 2.284 0.025 11 0 "[ . 1 . 2]" 1 1039 1 12 LEU MD2 1 46 PRO QD 5.000 . 6.000 2.886 2.508 3.411 . 0 0 "[ . 1 . 2]" 1 1040 1 13 CYS H 1 33 HIS HD2 5.000 . 6.000 5.415 4.691 5.659 . 0 0 "[ . 1 . 2]" 1 1041 1 13 CYS HA 1 33 HIS HE1 4.000 . 4.750 4.748 4.628 4.765 0.015 17 0 "[ . 1 . 2]" 1 1042 1 13 CYS HB3 1 33 HIS HE1 3.000 . 3.500 2.331 2.186 2.373 . 0 0 "[ . 1 . 2]" 1 1043 1 13 CYS HB2 1 33 HIS HE1 3.000 . 3.500 3.464 3.343 3.516 0.016 11 0 "[ . 1 . 2]" 1 1044 1 15 LEU QD 1 21 TYR QE 5.000 . 6.000 5.234 4.782 5.548 . 0 0 "[ . 1 . 2]" 1 1045 1 15 LEU HB3 1 29 HIS HE1 4.000 . 4.750 3.411 3.042 3.655 . 0 0 "[ . 1 . 2]" 1 1046 1 15 LEU HB2 1 29 HIS HE1 4.000 . 4.750 3.305 2.959 3.542 . 0 0 "[ . 1 . 2]" 1 1047 1 15 LEU HG 1 29 HIS HE1 5.000 . 6.000 5.168 3.373 5.689 . 0 0 "[ . 1 . 2]" 1 1048 1 15 LEU QD 1 29 HIS HD2 5.000 . 6.000 5.775 5.370 6.006 0.006 10 0 "[ . 1 . 2]" 1 1049 1 15 LEU QD 1 29 HIS HE1 4.000 . 4.750 3.000 2.322 4.042 . 0 0 "[ . 1 . 2]" 1 1050 1 15 LEU QD 1 33 HIS HE1 5.000 . 6.000 4.853 4.561 5.932 . 0 0 "[ . 1 . 2]" 1 1051 1 17 PHE HB3 1 26 PHE QD 4.000 . 4.750 4.763 4.753 4.769 0.019 14 0 "[ . 1 . 2]" 1 1052 1 17 PHE HB2 1 26 PHE QD 4.000 . 4.750 4.308 4.224 4.363 . 0 0 "[ . 1 . 2]" 1 1053 1 17 PHE QE 1 26 PHE H 5.000 . 6.000 5.958 5.899 6.007 0.007 9 0 "[ . 1 . 2]" 1 1054 1 17 PHE QE 1 26 PHE HA 4.000 . 4.750 3.443 3.394 3.500 . 0 0 "[ . 1 . 2]" 1 1055 1 17 PHE QE 1 26 PHE HB3 5.000 . 6.000 5.566 5.534 5.595 . 0 0 "[ . 1 . 2]" 1 1056 1 17 PHE QE 1 26 PHE HB2 5.000 . 6.000 4.585 4.534 4.642 . 0 0 "[ . 1 . 2]" 1 1057 1 17 PHE QE 1 26 PHE HZ 4.000 . 4.750 4.762 4.756 4.768 0.018 20 0 "[ . 1 . 2]" 1 1058 1 17 PHE QE 1 26 PHE QE 3.000 . 3.500 2.392 2.370 2.424 . 0 0 "[ . 1 . 2]" 1 1059 1 17 PHE HZ 1 29 HIS HA 5.000 . 6.000 5.323 5.188 5.449 . 0 0 "[ . 1 . 2]" 1 1060 1 17 PHE HZ 1 29 HIS HB3 4.000 . 4.750 3.874 3.758 3.984 . 0 0 "[ . 1 . 2]" 1 1061 1 17 PHE HZ 1 29 HIS HB2 4.000 . 4.750 3.469 3.299 3.614 . 0 0 "[ . 1 . 2]" 1 1062 1 17 PHE HZ 1 29 HIS HE1 4.000 . 4.750 2.889 2.823 2.967 . 0 0 "[ . 1 . 2]" 1 1063 1 17 PHE QE 1 29 HIS HB3 4.000 . 4.750 3.366 3.211 3.445 . 0 0 "[ . 1 . 2]" 1 1064 1 17 PHE QE 1 29 HIS HB2 4.000 . 4.750 3.995 3.844 4.087 . 0 0 "[ . 1 . 2]" 1 1065 1 17 PHE QE 1 29 HIS HD2 3.000 . 3.500 2.547 2.480 2.584 . 0 0 "[ . 1 . 2]" 1 1066 1 17 PHE QE 1 29 HIS HE1 5.000 . 6.000 3.896 3.861 3.923 . 0 0 "[ . 1 . 2]" 1 1067 1 17 PHE QE 1 30 VAL H 4.000 . 4.750 4.783 4.770 4.795 0.045 7 0 "[ . 1 . 2]" 1 1068 1 17 PHE QE 1 30 VAL MG2 5.000 . 6.000 3.732 3.628 3.844 . 0 0 "[ . 1 . 2]" 1 1069 1 21 TYR QD 1 26 PHE H 4.000 . 4.750 3.479 3.394 3.540 . 0 0 "[ . 1 . 2]" 1 1070 1 21 TYR QD 1 26 PHE HA 4.000 . 4.750 4.161 3.981 4.251 . 0 0 "[ . 1 . 2]" 1 1071 1 21 TYR QD 1 26 PHE HB2 2.500 . 2.800 2.474 2.346 2.567 . 0 0 "[ . 1 . 2]" 1 1072 1 21 TYR QD 1 26 PHE QD 4.000 . 4.750 4.111 4.010 4.187 . 0 0 "[ . 1 . 2]" 1 1073 1 21 TYR QE 1 26 PHE H 4.000 . 4.750 2.296 2.244 2.417 . 0 0 "[ . 1 . 2]" 1 1074 1 21 TYR QE 1 26 PHE HA 3.000 . 3.500 2.292 2.216 2.394 . 0 0 "[ . 1 . 2]" 1 1075 1 21 TYR QE 1 26 PHE QD 3.000 . 3.500 3.367 3.230 3.487 . 0 0 "[ . 1 . 2]" 1 1076 1 21 TYR QD 1 27 GLU H 5.000 . 6.000 5.689 5.592 5.755 . 0 0 "[ . 1 . 2]" 1 1077 1 21 TYR QE 1 27 GLU H 5.000 . 6.000 4.450 4.423 4.525 . 0 0 "[ . 1 . 2]" 1 1078 1 21 TYR QE 1 29 HIS H 4.000 . 4.750 4.784 4.767 4.798 0.048 13 0 "[ . 1 . 2]" 1 1079 1 21 TYR QE 1 29 HIS HB3 4.000 . 4.750 4.045 3.969 4.132 . 0 0 "[ . 1 . 2]" 1 1080 1 21 TYR QE 1 29 HIS HB2 5.000 . 6.000 4.667 4.600 4.777 . 0 0 "[ . 1 . 2]" 1 1081 1 31 GLU H 1 43 GLN HE22 5.000 . 6.000 4.701 4.512 4.847 . 0 0 "[ . 1 . 2]" 1 1082 1 31 GLU QB 1 43 GLN HE21 5.000 . 6.000 3.164 2.272 3.526 . 0 0 "[ . 1 . 2]" 1 1083 1 31 GLU QB 1 43 GLN HE22 5.000 . 6.000 2.406 1.939 2.947 . 0 0 "[ . 1 . 2]" 1 1084 1 32 SER H 1 43 GLN HE22 5.000 . 6.000 5.441 5.217 6.008 0.008 11 0 "[ . 1 . 2]" 1 1085 1 33 HIS HB2 1 46 PRO QG 5.000 . 6.000 4.754 3.984 5.186 . 0 0 "[ . 1 . 2]" 1 1086 1 34 TRP HE1 1 43 GLN HE21 5.000 . 6.000 6.014 6.002 6.035 0.035 19 0 "[ . 1 . 2]" 1 1087 1 34 TRP HE1 1 43 GLN HE22 5.000 . 6.000 5.254 4.828 6.006 0.006 11 0 "[ . 1 . 2]" 1 1088 1 34 TRP HE3 1 43 GLN H 5.000 . 6.000 5.712 5.596 5.813 . 0 0 "[ . 1 . 2]" 1 1089 1 34 TRP HE3 1 43 GLN HA 5.000 . 6.000 4.156 4.039 4.602 . 0 0 "[ . 1 . 2]" 1 1090 1 34 TRP HE3 1 43 GLN HE22 5.000 . 6.000 2.742 2.453 3.425 . 0 0 "[ . 1 . 2]" 1 1091 1 34 TRP HE3 1 43 GLN QB 3.000 . 3.500 2.527 2.357 2.875 . 0 0 "[ . 1 . 2]" 1 1092 1 34 TRP HE3 1 43 GLN QG 5.000 . 6.000 3.783 3.524 3.958 . 0 0 "[ . 1 . 2]" 1 1093 1 34 TRP HZ3 1 43 GLN QB 4.000 . 4.750 3.350 3.153 4.742 . 0 0 "[ . 1 . 2]" 1 1094 1 34 TRP HZ3 1 43 GLN QG 5.000 . 6.000 5.088 4.145 5.368 . 0 0 "[ . 1 . 2]" 1 1095 1 34 TRP HA 1 44 PHE H 5.000 . 6.000 5.307 5.214 5.394 . 0 0 "[ . 1 . 2]" 1 1096 1 34 TRP HE3 1 44 PHE H 4.000 . 4.750 3.446 3.273 3.732 . 0 0 "[ . 1 . 2]" 1 1097 1 34 TRP HE3 1 44 PHE HA 5.000 . 6.000 4.085 3.508 4.219 . 0 0 "[ . 1 . 2]" 1 1098 1 34 TRP HE3 1 44 PHE QD 5.000 . 6.000 5.775 5.459 5.902 . 0 0 "[ . 1 . 2]" 1 1099 1 34 TRP HZ3 1 44 PHE H 5.000 . 6.000 5.295 5.123 5.624 . 0 0 "[ . 1 . 2]" 1 1100 1 34 TRP HZ3 1 44 PHE HA 5.000 . 6.000 4.622 4.016 4.758 . 0 0 "[ . 1 . 2]" 1 1101 1 34 TRP QB 1 44 PHE H 4.000 . 4.750 3.157 3.092 3.236 . 0 0 "[ . 1 . 2]" 1 1102 1 34 TRP HA 1 45 PRO HA 5.000 . 6.000 4.266 4.191 4.355 . 0 0 "[ . 1 . 2]" 1 1103 1 34 TRP HD1 1 45 PRO HA 5.000 . 6.000 4.630 4.600 4.683 . 0 0 "[ . 1 . 2]" 1 1104 1 34 TRP HE1 1 45 PRO HA 5.000 . 6.000 4.285 4.244 4.369 . 0 0 "[ . 1 . 2]" 1 1105 1 34 TRP HE1 1 45 PRO QB 5.000 . 6.000 4.877 4.836 4.940 . 0 0 "[ . 1 . 2]" 1 1106 1 34 TRP HE1 1 45 PRO QG 5.000 . 6.000 6.020 6.009 6.032 0.032 13 0 "[ . 1 . 2]" 1 1107 1 34 TRP HE3 1 45 PRO HA 4.000 . 4.750 3.051 2.940 3.163 . 0 0 "[ . 1 . 2]" 1 1108 1 34 TRP HE3 1 45 PRO QD 5.000 . 6.000 3.681 3.543 3.830 . 0 0 "[ . 1 . 2]" 1 1109 1 34 TRP HZ2 1 45 PRO HA 5.000 . 6.000 4.008 3.895 4.126 . 0 0 "[ . 1 . 2]" 1 1110 1 34 TRP HZ2 1 45 PRO QB 5.000 . 6.000 3.638 3.570 3.707 . 0 0 "[ . 1 . 2]" 1 1111 1 34 TRP HZ2 1 45 PRO QG 5.000 . 6.000 4.418 4.360 4.456 . 0 0 "[ . 1 . 2]" 1 1112 1 34 TRP HZ3 1 45 PRO QB 4.000 . 4.750 3.857 3.715 4.004 . 0 0 "[ . 1 . 2]" 1 1113 1 34 TRP HZ3 1 45 PRO QG 4.000 . 4.750 2.382 2.181 2.582 . 0 0 "[ . 1 . 2]" 1 1114 1 34 TRP HZ3 1 45 PRO QD 4.000 . 4.750 3.224 2.977 3.360 . 0 0 "[ . 1 . 2]" 1 1115 1 34 TRP HH2 1 45 PRO HA 5.000 . 6.000 4.034 3.899 4.119 . 0 0 "[ . 1 . 2]" 1 1116 1 34 TRP HH2 1 45 PRO QB 4.000 . 4.750 3.356 3.243 3.498 . 0 0 "[ . 1 . 2]" 1 1117 1 34 TRP HH2 1 45 PRO QG 4.000 . 4.750 2.902 2.779 2.989 . 0 0 "[ . 1 . 2]" 1 1118 1 34 TRP HH2 1 45 PRO QD 4.000 . 4.750 4.721 4.553 4.770 0.020 12 0 "[ . 1 . 2]" 1 1119 1 34 TRP H 1 46 PRO QG 5.000 . 6.000 5.573 4.595 6.010 0.010 17 0 "[ . 1 . 2]" 1 1120 1 34 TRP HA 1 46 PRO QD 4.000 . 4.750 3.304 3.233 3.348 . 0 0 "[ . 1 . 2]" 1 1121 1 34 TRP HD1 1 46 PRO QB 4.000 . 4.750 4.287 3.962 4.757 0.007 12 0 "[ . 1 . 2]" 1 1122 1 34 TRP HD1 1 46 PRO QG 4.000 . 4.750 3.501 2.736 3.875 . 0 0 "[ . 1 . 2]" 1 1123 1 34 TRP HD1 1 46 PRO QD 4.000 . 4.750 2.967 2.887 3.067 . 0 0 "[ . 1 . 2]" 1 1124 1 34 TRP HE1 1 46 PRO QB 5.000 . 6.000 4.577 4.418 4.841 . 0 0 "[ . 1 . 2]" 1 1125 1 34 TRP HE1 1 46 PRO QG 5.000 . 6.000 2.980 2.866 3.114 . 0 0 "[ . 1 . 2]" 1 1126 1 34 TRP HE1 1 46 PRO QD 4.000 . 4.750 2.635 2.560 2.777 . 0 0 "[ . 1 . 2]" 1 1127 1 34 TRP HE3 1 46 PRO QD 5.000 . 6.000 4.241 3.961 4.382 . 0 0 "[ . 1 . 2]" 1 1128 1 34 TRP HZ2 1 46 PRO QB 5.000 . 6.000 6.004 5.952 6.030 0.030 15 0 "[ . 1 . 2]" 1 1129 1 34 TRP HZ2 1 46 PRO QD 5.000 . 6.000 3.236 3.149 3.355 . 0 0 "[ . 1 . 2]" 1 1130 1 34 TRP HZ3 1 46 PRO QD 5.000 . 6.000 4.773 4.678 4.852 . 0 0 "[ . 1 . 2]" 1 1131 1 35 LYS H 1 43 GLN HA 5.000 . 6.000 5.348 4.936 5.414 . 0 0 "[ . 1 . 2]" 1 1132 1 35 LYS H 1 44 PHE H 4.000 . 4.750 3.609 3.399 3.657 . 0 0 "[ . 1 . 2]" 1 1133 1 35 LYS H 1 44 PHE HA 5.000 . 6.000 5.110 5.058 5.155 . 0 0 "[ . 1 . 2]" 1 1134 1 35 LYS H 1 44 PHE HB2 4.000 . 4.750 3.372 3.238 3.818 . 0 0 "[ . 1 . 2]" 1 1135 1 35 LYS H 1 44 PHE QD 5.000 . 6.000 4.864 4.665 4.909 . 0 0 "[ . 1 . 2]" 1 1136 1 35 LYS HA 1 44 PHE H 5.000 . 6.000 4.785 4.572 4.832 . 0 0 "[ . 1 . 2]" 1 1137 1 35 LYS HA 1 44 PHE QD 5.000 . 6.000 4.907 4.781 4.989 . 0 0 "[ . 1 . 2]" 1 1138 1 35 LYS HB3 1 44 PHE HB2 4.000 . 4.750 2.800 2.517 3.539 . 0 0 "[ . 1 . 2]" 1 1139 1 35 LYS HB2 1 44 PHE H 4.000 . 4.750 3.992 3.500 4.140 . 0 0 "[ . 1 . 2]" 1 1140 1 35 LYS HB2 1 44 PHE HB3 4.000 . 4.750 3.340 3.193 4.218 . 0 0 "[ . 1 . 2]" 1 1141 1 35 LYS HB2 1 44 PHE HB2 4.000 . 4.750 2.249 2.142 2.579 . 0 0 "[ . 1 . 2]" 1 1142 1 35 LYS HB2 1 44 PHE QD 4.000 . 4.750 3.984 3.731 4.055 . 0 0 "[ . 1 . 2]" 1 1143 1 35 LYS HB2 1 44 PHE QE 5.000 . 6.000 5.968 5.742 6.007 0.007 12 0 "[ . 1 . 2]" 1 1144 1 35 LYS QD 1 44 PHE H 5.000 . 6.000 5.575 5.108 5.745 . 0 0 "[ . 1 . 2]" 1 1145 1 35 LYS QD 1 44 PHE HB3 5.000 . 6.000 4.046 3.844 4.680 . 0 0 "[ . 1 . 2]" 1 1146 1 35 LYS QD 1 44 PHE HB2 4.000 . 4.750 3.719 3.595 3.882 . 0 0 "[ . 1 . 2]" 1 1147 1 35 LYS QD 1 44 PHE QD 5.000 . 6.000 5.028 4.921 5.096 . 0 0 "[ . 1 . 2]" 1 1148 1 35 LYS H 1 46 PRO QG 5.000 . 6.000 5.606 4.579 6.023 0.023 16 0 "[ . 1 . 2]" 1 1149 1 35 LYS HB2 1 46 PRO HA 4.000 . 4.750 4.766 4.759 4.773 0.023 20 0 "[ . 1 . 2]" 1 1150 1 35 LYS QD 1 46 PRO HA 4.000 . 4.750 3.282 2.921 3.658 . 0 0 "[ . 1 . 2]" 1 1151 1 35 LYS HB2 1 48 TYR QD 5.000 . 6.000 5.359 5.276 5.429 . 0 0 "[ . 1 . 2]" 1 1152 1 35 LYS QD 1 48 TYR HB3 4.000 . 4.750 3.731 3.641 3.835 . 0 0 "[ . 1 . 2]" 1 1153 1 35 LYS QD 1 48 TYR HB2 4.000 . 4.750 4.761 4.756 4.767 0.017 17 0 "[ . 1 . 2]" 1 1154 1 35 LYS QD 1 48 TYR QD 4.000 . 4.750 4.746 4.655 4.758 0.008 20 0 "[ . 1 . 2]" 1 1155 1 35 LYS QE 1 50 GLN HA 4.000 . 4.750 3.095 2.524 3.893 . 0 0 "[ . 1 . 2]" 1 1156 1 35 LYS HA 1 53 PHE QD 5.000 . 6.000 5.177 4.973 5.375 . 0 0 "[ . 1 . 2]" 1 1157 1 35 LYS HA 1 53 PHE QE 5.000 . 6.000 4.214 3.985 4.373 . 0 0 "[ . 1 . 2]" 1 1158 1 35 LYS HB3 1 53 PHE HZ 4.000 . 4.750 3.709 3.393 3.953 . 0 0 "[ . 1 . 2]" 1 1159 1 35 LYS HB3 1 53 PHE QD 4.000 . 4.750 3.198 3.007 3.322 . 0 0 "[ . 1 . 2]" 1 1160 1 35 LYS HB3 1 53 PHE QE 4.000 . 4.750 3.132 2.856 3.384 . 0 0 "[ . 1 . 2]" 1 1161 1 35 LYS HB2 1 53 PHE QD 4.000 . 4.750 4.215 3.954 4.319 . 0 0 "[ . 1 . 2]" 1 1162 1 35 LYS HB2 1 53 PHE QE 4.000 . 4.750 4.577 4.299 4.748 . 0 0 "[ . 1 . 2]" 1 1163 1 35 LYS QG 1 53 PHE HZ 4.000 . 4.750 4.352 4.046 4.593 . 0 0 "[ . 1 . 2]" 1 1164 1 35 LYS QG 1 53 PHE QD 4.000 . 4.750 2.971 2.549 3.254 . 0 0 "[ . 1 . 2]" 1 1165 1 35 LYS QG 1 53 PHE QE 4.000 . 4.750 2.802 2.511 3.031 . 0 0 "[ . 1 . 2]" 1 1166 1 35 LYS QD 1 53 PHE HB3 4.000 . 4.750 3.963 3.368 4.349 . 0 0 "[ . 1 . 2]" 1 1167 1 35 LYS QD 1 53 PHE HB2 4.000 . 4.750 3.857 3.463 4.166 . 0 0 "[ . 1 . 2]" 1 1168 1 35 LYS QD 1 53 PHE HZ 5.000 . 6.000 5.893 5.526 6.005 0.005 1 0 "[ . 1 . 2]" 1 1169 1 35 LYS QD 1 53 PHE QD 5.000 . 6.000 3.457 2.809 3.786 . 0 0 "[ . 1 . 2]" 1 1170 1 35 LYS QD 1 53 PHE QE 4.000 . 4.750 4.484 4.017 4.637 . 0 0 "[ . 1 . 2]" 1 1171 1 35 LYS QE 1 53 PHE HZ 5.000 . 6.000 5.970 5.770 6.015 0.015 12 0 "[ . 1 . 2]" 1 1172 1 35 LYS QE 1 53 PHE QE 4.000 . 4.750 3.991 3.786 4.102 . 0 0 "[ . 1 . 2]" 1 1173 1 36 VAL MG1 1 41 SER HA 4.000 . 4.750 2.602 2.521 2.699 . 0 0 "[ . 1 . 2]" 1 1174 1 36 VAL MG1 1 41 SER QB 5.000 . 6.000 3.883 3.453 4.101 . 0 0 "[ . 1 . 2]" 1 1175 1 36 VAL MG2 1 41 SER HA 5.000 . 6.000 5.103 5.006 5.192 . 0 0 "[ . 1 . 2]" 1 1176 1 36 VAL MG2 1 41 SER QB 5.000 . 6.000 5.842 5.337 6.028 0.028 15 0 "[ . 1 . 2]" 1 1177 1 36 VAL HA 1 42 GLU H 5.000 . 6.000 4.622 4.511 4.735 . 0 0 "[ . 1 . 2]" 1 1178 1 36 VAL MG1 1 42 GLU H 5.000 . 6.000 3.093 2.937 3.313 . 0 0 "[ . 1 . 2]" 1 1179 1 36 VAL MG1 1 42 GLU HA 5.000 . 6.000 3.916 3.692 4.061 . 0 0 "[ . 1 . 2]" 1 1180 1 36 VAL MG2 1 42 GLU H 5.000 . 6.000 5.411 5.299 5.566 . 0 0 "[ . 1 . 2]" 1 1181 1 36 VAL MG2 1 42 GLU HA 5.000 . 6.000 5.402 5.288 5.511 . 0 0 "[ . 1 . 2]" 1 1182 1 36 VAL H 1 43 GLN HA 5.000 . 6.000 4.975 4.249 5.114 . 0 0 "[ . 1 . 2]" 1 1183 1 36 VAL HA 1 43 GLN H 5.000 . 6.000 4.869 4.320 4.948 . 0 0 "[ . 1 . 2]" 1 1184 1 36 VAL HA 1 43 GLN HA 5.000 . 6.000 2.609 1.875 2.714 . 0 0 "[ . 1 . 2]" 1 1185 1 36 VAL HA 1 43 GLN QB 5.000 . 6.000 4.743 3.270 4.893 . 0 0 "[ . 1 . 2]" 1 1186 1 36 VAL HA 1 43 GLN QG 4.000 . 4.750 3.865 3.656 4.796 0.046 15 0 "[ . 1 . 2]" 1 1187 1 36 VAL MG1 1 43 GLN H 5.000 . 6.000 4.015 3.291 4.206 . 0 0 "[ . 1 . 2]" 1 1188 1 36 VAL MG1 1 43 GLN HA 5.000 . 6.000 2.798 2.667 2.967 . 0 0 "[ . 1 . 2]" 1 1189 1 36 VAL MG1 1 43 GLN HE21 5.000 . 6.000 4.961 4.654 5.673 . 0 0 "[ . 1 . 2]" 1 1190 1 36 VAL MG1 1 43 GLN HE22 5.000 . 6.000 5.782 5.692 6.002 0.002 11 0 "[ . 1 . 2]" 1 1191 1 36 VAL MG1 1 43 GLN QB 5.000 . 6.000 3.878 2.103 4.065 . 0 0 "[ . 1 . 2]" 1 1192 1 36 VAL MG1 1 43 GLN QG 5.000 . 6.000 2.619 2.460 3.438 . 0 0 "[ . 1 . 2]" 1 1193 1 36 VAL MG2 1 43 GLN H 5.000 . 6.000 4.621 4.135 4.779 . 0 0 "[ . 1 . 2]" 1 1194 1 36 VAL MG2 1 43 GLN HA 5.000 . 6.000 2.251 2.071 2.532 . 0 0 "[ . 1 . 2]" 1 1195 1 36 VAL MG2 1 43 GLN HE21 5.000 . 6.000 3.207 2.723 4.234 . 0 0 "[ . 1 . 2]" 1 1196 1 36 VAL MG2 1 43 GLN HE22 5.000 . 6.000 3.975 3.774 4.495 . 0 0 "[ . 1 . 2]" 1 1197 1 36 VAL MG2 1 43 GLN QB 5.000 . 6.000 3.438 1.786 3.687 0.014 15 0 "[ . 1 . 2]" 1 1198 1 36 VAL MG2 1 43 GLN QG 5.000 . 6.000 1.911 1.795 3.520 0.005 6 0 "[ . 1 . 2]" 1 1199 1 36 VAL H 1 44 PHE H 5.000 . 6.000 4.671 4.505 4.738 . 0 0 "[ . 1 . 2]" 1 1200 1 36 VAL H 1 44 PHE QD 5.000 . 6.000 4.471 4.376 4.823 . 0 0 "[ . 1 . 2]" 1 1201 1 36 VAL H 1 44 PHE QE 5.000 . 6.000 5.996 5.919 6.031 0.031 15 0 "[ . 1 . 2]" 1 1202 1 36 VAL HA 1 44 PHE H 4.000 . 4.750 3.097 3.076 3.141 . 0 0 "[ . 1 . 2]" 1 1203 1 36 VAL HA 1 44 PHE QD 4.000 . 4.750 2.571 2.466 3.005 . 0 0 "[ . 1 . 2]" 1 1204 1 36 VAL HA 1 44 PHE QE 4.000 . 4.750 3.793 3.715 3.891 . 0 0 "[ . 1 . 2]" 1 1205 1 36 VAL MG1 1 44 PHE H 5.000 . 6.000 4.314 4.256 4.446 . 0 0 "[ . 1 . 2]" 1 1206 1 36 VAL MG1 1 44 PHE QD 5.000 . 6.000 4.263 4.143 4.566 . 0 0 "[ . 1 . 2]" 1 1207 1 36 VAL MG1 1 44 PHE QE 5.000 . 6.000 4.479 4.341 4.673 . 0 0 "[ . 1 . 2]" 1 1208 1 36 VAL MG2 1 44 PHE H 5.000 . 6.000 2.898 2.774 3.172 . 0 0 "[ . 1 . 2]" 1 1209 1 36 VAL MG2 1 44 PHE QD 5.000 . 6.000 4.053 3.908 4.228 . 0 0 "[ . 1 . 2]" 1 1210 1 36 VAL MG2 1 44 PHE QE 5.000 . 6.000 5.408 5.306 5.538 . 0 0 "[ . 1 . 2]" 1 1211 1 36 VAL H 1 53 PHE HZ 4.000 . 4.750 3.726 3.563 3.908 . 0 0 "[ . 1 . 2]" 1 1212 1 36 VAL H 1 53 PHE QE 4.000 . 4.750 4.243 4.101 4.375 . 0 0 "[ . 1 . 2]" 1 1213 1 36 VAL HB 1 53 PHE HZ 5.000 . 6.000 5.293 5.050 5.465 . 0 0 "[ . 1 . 2]" 1 1214 1 37 CYS H 1 42 GLU H 4.000 . 4.750 2.956 2.866 3.054 . 0 0 "[ . 1 . 2]" 1 1215 1 37 CYS H 1 42 GLU HA 5.000 . 6.000 4.660 4.473 4.722 . 0 0 "[ . 1 . 2]" 1 1216 1 37 CYS H 1 42 GLU QB 5.000 . 6.000 3.285 3.194 3.527 . 0 0 "[ . 1 . 2]" 1 1217 1 37 CYS HB3 1 42 GLU H 3.000 . 3.500 2.168 2.061 2.268 . 0 0 "[ . 1 . 2]" 1 1218 1 37 CYS HB3 1 42 GLU QB 4.000 . 4.750 2.633 2.388 2.876 . 0 0 "[ . 1 . 2]" 1 1219 1 37 CYS HB2 1 42 GLU H 4.000 . 4.750 3.704 3.572 3.818 . 0 0 "[ . 1 . 2]" 1 1220 1 37 CYS HB2 1 42 GLU QB 4.000 . 4.750 3.261 3.060 3.437 . 0 0 "[ . 1 . 2]" 1 1221 1 37 CYS H 1 43 GLN H 5.000 . 6.000 5.055 4.691 5.116 . 0 0 "[ . 1 . 2]" 1 1222 1 37 CYS H 1 43 GLN HA 4.000 . 4.750 3.956 3.406 4.036 . 0 0 "[ . 1 . 2]" 1 1223 1 37 CYS H 1 43 GLN QG 5.000 . 6.000 5.134 4.979 5.695 . 0 0 "[ . 1 . 2]" 1 1224 1 37 CYS H 1 44 PHE H 4.000 . 4.750 4.768 4.754 4.782 0.032 7 0 "[ . 1 . 2]" 1 1225 1 37 CYS H 1 44 PHE HZ 5.000 . 6.000 5.146 5.059 5.252 . 0 0 "[ . 1 . 2]" 1 1226 1 37 CYS H 1 44 PHE QD 4.000 . 4.750 3.165 3.075 3.765 . 0 0 "[ . 1 . 2]" 1 1227 1 37 CYS H 1 44 PHE QE 4.000 . 4.750 2.752 2.645 2.947 . 0 0 "[ . 1 . 2]" 1 1228 1 37 CYS HA 1 44 PHE QE 4.000 . 4.750 4.202 4.096 4.533 . 0 0 "[ . 1 . 2]" 1 1229 1 37 CYS HB3 1 44 PHE HZ 5.000 . 6.000 4.668 4.578 4.857 . 0 0 "[ . 1 . 2]" 1 1230 1 37 CYS HB3 1 44 PHE QE 3.000 . 3.500 3.087 2.975 3.509 0.009 15 0 "[ . 1 . 2]" 1 1231 1 37 CYS HB2 1 44 PHE HZ 5.000 . 6.000 3.851 3.740 4.098 . 0 0 "[ . 1 . 2]" 1 1232 1 37 CYS HB2 1 44 PHE QD 4.000 . 4.750 4.042 3.950 4.529 . 0 0 "[ . 1 . 2]" 1 1233 1 37 CYS HB2 1 44 PHE QE 3.000 . 3.500 2.202 2.076 2.627 . 0 0 "[ . 1 . 2]" 1 1234 1 37 CYS H 1 53 PHE HZ 5.000 . 6.000 4.200 3.893 4.379 . 0 0 "[ . 1 . 2]" 1 1235 1 37 CYS H 1 53 PHE QD 5.000 . 6.000 4.737 4.594 4.832 . 0 0 "[ . 1 . 2]" 1 1236 1 37 CYS H 1 53 PHE QE 4.000 . 4.750 2.920 2.723 3.058 . 0 0 "[ . 1 . 2]" 1 1237 1 37 CYS HA 1 53 PHE HZ 3.000 . 3.500 2.896 2.682 3.149 . 0 0 "[ . 1 . 2]" 1 1238 1 37 CYS HA 1 53 PHE QD 5.000 . 6.000 4.916 4.790 5.028 . 0 0 "[ . 1 . 2]" 1 1239 1 37 CYS HA 1 53 PHE QE 3.000 . 3.500 2.641 2.485 2.775 . 0 0 "[ . 1 . 2]" 1 1240 1 37 CYS HB3 1 53 PHE HZ 5.000 . 6.000 5.405 5.143 5.621 . 0 0 "[ . 1 . 2]" 1 1241 1 37 CYS HB3 1 53 PHE QD 5.000 . 6.000 5.248 5.113 5.375 . 0 0 "[ . 1 . 2]" 1 1242 1 37 CYS HB3 1 53 PHE QE 4.000 . 4.750 3.675 3.508 3.865 . 0 0 "[ . 1 . 2]" 1 1243 1 37 CYS HB2 1 53 PHE HZ 4.000 . 4.750 4.166 3.943 4.354 . 0 0 "[ . 1 . 2]" 1 1244 1 37 CYS HB2 1 53 PHE QD 5.000 . 6.000 3.667 3.528 3.812 . 0 0 "[ . 1 . 2]" 1 1245 1 37 CYS HB2 1 53 PHE QE 4.000 . 4.750 2.131 1.994 2.343 . 0 0 "[ . 1 . 2]" 1 1246 1 37 CYS H 1 56 HIS HD2 4.000 . 4.750 4.670 4.541 4.731 . 0 0 "[ . 1 . 2]" 1 1247 1 37 CYS HA 1 56 HIS HD2 4.000 . 4.750 4.207 4.140 4.267 . 0 0 "[ . 1 . 2]" 1 1248 1 37 CYS HB3 1 56 HIS HD2 3.000 . 3.500 3.538 3.525 3.548 0.048 12 0 "[ . 1 . 2]" 1 1249 1 37 CYS HB2 1 56 HIS HD2 3.000 . 3.500 2.209 2.165 2.245 . 0 0 "[ . 1 . 2]" 1 1250 1 37 CYS HB2 1 56 HIS HE1 4.000 . 4.750 4.761 4.752 4.769 0.019 7 0 "[ . 1 . 2]" 1 1251 1 37 CYS H 1 57 VAL MG1 5.000 . 6.000 4.754 4.446 4.865 . 0 0 "[ . 1 . 2]" 1 1252 1 37 CYS H 1 57 VAL MG2 5.000 . 6.000 4.534 4.385 4.653 . 0 0 "[ . 1 . 2]" 1 1253 1 37 CYS HA 1 57 VAL MG1 5.000 . 6.000 2.381 2.148 2.483 . 0 0 "[ . 1 . 2]" 1 1254 1 37 CYS HA 1 57 VAL MG2 5.000 . 6.000 3.032 2.897 3.238 . 0 0 "[ . 1 . 2]" 1 1255 1 37 CYS HB2 1 57 VAL MG2 5.000 . 6.000 2.885 2.766 3.028 . 0 0 "[ . 1 . 2]" 1 1256 1 38 PRO QG 1 53 PHE HZ 5.000 . 6.000 5.157 5.015 5.344 . 0 0 "[ . 1 . 2]" 1 1257 1 38 PRO QD 1 53 PHE HZ 4.000 . 4.750 3.419 3.290 3.630 . 0 0 "[ . 1 . 2]" 1 1258 1 38 PRO QD 1 53 PHE QE 4.000 . 4.750 3.947 3.817 4.056 . 0 0 "[ . 1 . 2]" 1 1259 1 38 PRO QD 1 56 HIS HD2 5.000 . 6.000 4.903 4.843 4.965 . 0 0 "[ . 1 . 2]" 1 1260 1 38 PRO QG 1 57 VAL MG1 4.000 . 4.750 3.054 3.002 3.110 . 0 0 "[ . 1 . 2]" 1 1261 1 38 PRO QG 1 57 VAL MG2 5.000 . 6.000 4.807 4.728 4.981 . 0 0 "[ . 1 . 2]" 1 1262 1 38 PRO QD 1 57 VAL MG1 5.000 . 6.000 1.846 1.797 1.921 0.003 17 0 "[ . 1 . 2]" 1 1263 1 38 PRO QD 1 57 VAL MG2 4.000 . 4.750 3.353 3.282 3.554 . 0 0 "[ . 1 . 2]" 1 1264 1 38 PRO QD 1 60 HIS HD2 4.000 . 4.750 4.765 4.757 4.772 0.022 12 0 "[ . 1 . 2]" 1 1265 1 39 MET H 1 56 HIS HD2 5.000 . 6.000 5.732 5.693 5.810 . 0 0 "[ . 1 . 2]" 1 1266 1 39 MET H 1 57 VAL HA 5.000 . 6.000 4.712 4.625 4.805 . 0 0 "[ . 1 . 2]" 1 1267 1 39 MET H 1 57 VAL MG2 5.000 . 6.000 5.175 5.108 5.397 . 0 0 "[ . 1 . 2]" 1 1268 1 39 MET ME 1 57 VAL MG1 5.000 . 6.000 3.784 3.695 3.822 . 0 0 "[ . 1 . 2]" 1 1269 1 39 MET ME 1 57 VAL MG2 5.000 . 6.000 6.003 5.891 6.019 0.019 3 0 "[ . 1 . 2]" 1 1270 1 39 MET QG 1 57 VAL MG1 4.000 . 4.750 2.709 2.506 2.861 . 0 0 "[ . 1 . 2]" 1 1271 1 39 MET QG 1 57 VAL MG2 5.000 . 6.000 5.026 4.828 5.225 . 0 0 "[ . 1 . 2]" 1 1272 1 39 MET H 1 60 HIS HD2 4.000 . 4.750 4.503 4.464 4.523 . 0 0 "[ . 1 . 2]" 1 1273 1 39 MET HA 1 60 HIS HD2 5.000 . 6.000 5.984 5.898 6.020 0.020 19 0 "[ . 1 . 2]" 1 1274 1 39 MET HB3 1 60 HIS HB3 5.000 . 6.000 1.944 1.911 1.986 . 0 0 "[ . 1 . 2]" 1 1275 1 39 MET HB3 1 60 HIS HB2 5.000 . 6.000 3.034 2.965 3.112 . 0 0 "[ . 1 . 2]" 1 1276 1 39 MET HB3 1 60 HIS HD2 4.000 . 4.750 4.292 4.226 4.374 . 0 0 "[ . 1 . 2]" 1 1277 1 39 MET HB3 1 60 HIS HE1 4.000 . 4.750 4.759 4.747 4.769 0.019 17 0 "[ . 1 . 2]" 1 1278 1 39 MET HB2 1 60 HIS HB3 4.000 . 4.750 2.650 2.584 2.740 . 0 0 "[ . 1 . 2]" 1 1279 1 39 MET HB2 1 60 HIS HB2 5.000 . 6.000 2.657 2.600 2.750 . 0 0 "[ . 1 . 2]" 1 1280 1 39 MET HB2 1 60 HIS HD2 3.000 . 3.500 2.974 2.891 3.009 . 0 0 "[ . 1 . 2]" 1 1281 1 39 MET HB2 1 60 HIS HE1 4.000 . 4.750 4.525 4.318 4.700 . 0 0 "[ . 1 . 2]" 1 1282 1 39 MET ME 1 60 HIS H 5.000 . 6.000 5.839 5.468 6.006 0.006 20 0 "[ . 1 . 2]" 1 1283 1 39 MET ME 1 60 HIS HB3 5.000 . 6.000 4.242 3.970 4.463 . 0 0 "[ . 1 . 2]" 1 1284 1 39 MET ME 1 60 HIS HB2 5.000 . 6.000 4.159 3.882 4.357 . 0 0 "[ . 1 . 2]" 1 1285 1 39 MET ME 1 60 HIS HD2 5.000 . 6.000 5.865 5.711 5.968 . 0 0 "[ . 1 . 2]" 1 1286 1 39 MET QG 1 60 HIS H 5.000 . 6.000 4.103 4.049 4.161 . 0 0 "[ . 1 . 2]" 1 1287 1 39 MET QG 1 60 HIS HB3 4.000 . 4.750 2.293 2.047 2.688 . 0 0 "[ . 1 . 2]" 1 1288 1 39 MET QG 1 60 HIS HB2 4.000 . 4.750 1.921 1.903 1.949 . 0 0 "[ . 1 . 2]" 1 1289 1 39 MET QG 1 60 HIS HD2 4.000 . 4.750 3.680 3.368 3.867 . 0 0 "[ . 1 . 2]" 1 1290 1 39 MET ME 1 61 PHE H 5.000 . 6.000 4.835 4.317 5.520 . 0 0 "[ . 1 . 2]" 1 1291 1 39 MET ME 1 61 PHE QD 4.000 . 4.750 2.385 1.958 3.644 . 0 0 "[ . 1 . 2]" 1 1292 1 39 MET ME 1 61 PHE QE 5.000 . 6.000 1.962 1.847 2.637 . 0 0 "[ . 1 . 2]" 1 1293 1 39 MET QG 1 61 PHE QD 4.000 . 4.750 2.813 2.423 3.798 . 0 0 "[ . 1 . 2]" 1 1294 1 39 MET QG 1 61 PHE QE 5.000 . 6.000 2.125 1.879 3.038 . 0 0 "[ . 1 . 2]" 1 1295 1 40 CYS H 1 56 HIS HD2 5.000 . 6.000 5.906 5.855 5.951 . 0 0 "[ . 1 . 2]" 1 1296 1 40 CYS H 1 60 HIS HD2 4.000 . 4.750 4.794 4.781 4.809 0.059 6 0 "[ . 1 . 2]" 1 1297 1 40 CYS HA 1 60 HIS HE1 4.000 . 4.750 4.606 4.536 4.696 . 0 0 "[ . 1 . 2]" 1 1298 1 40 CYS HB3 1 60 HIS HE1 3.000 . 3.500 2.262 2.216 2.328 . 0 0 "[ . 1 . 2]" 1 1299 1 40 CYS HB2 1 60 HIS HE1 3.000 . 3.500 3.474 3.411 3.512 0.012 3 0 "[ . 1 . 2]" 1 1300 1 42 GLU QB 1 53 PHE QD 4.000 . 4.750 4.783 4.763 4.792 0.042 14 0 "[ . 1 . 2]" 1 1301 1 42 GLU QB 1 53 PHE QE 4.000 . 4.750 4.433 4.257 4.628 . 0 0 "[ . 1 . 2]" 1 1302 1 42 GLU H 1 56 HIS HD2 5.000 . 6.000 5.425 5.169 5.553 . 0 0 "[ . 1 . 2]" 1 1303 1 42 GLU HA 1 56 HIS HE1 5.000 . 6.000 5.532 5.328 5.809 . 0 0 "[ . 1 . 2]" 1 1304 1 42 GLU QB 1 56 HIS HD2 5.000 . 6.000 4.080 3.926 4.271 . 0 0 "[ . 1 . 2]" 1 1305 1 42 GLU QB 1 56 HIS HE1 4.000 . 4.750 2.953 2.640 3.104 . 0 0 "[ . 1 . 2]" 1 1306 1 42 GLU QG 1 56 HIS HE1 4.000 . 4.750 2.952 2.215 4.114 . 0 0 "[ . 1 . 2]" 1 1307 1 43 GLN HA 1 53 PHE QE 5.000 . 6.000 5.738 4.869 5.963 . 0 0 "[ . 1 . 2]" 1 1308 1 44 PHE QD 1 52 VAL MG2 5.000 . 6.000 5.815 5.526 5.943 . 0 0 "[ . 1 . 2]" 1 1309 1 44 PHE QE 1 52 VAL MG1 4.000 . 4.750 3.603 3.306 3.827 . 0 0 "[ . 1 . 2]" 1 1310 1 44 PHE QE 1 52 VAL MG2 5.000 . 6.000 5.875 5.689 6.005 0.005 4 0 "[ . 1 . 2]" 1 1311 1 44 PHE H 1 53 PHE QD 5.000 . 6.000 5.563 4.928 5.715 . 0 0 "[ . 1 . 2]" 1 1312 1 44 PHE H 1 53 PHE QE 5.000 . 6.000 5.429 4.940 5.643 . 0 0 "[ . 1 . 2]" 1 1313 1 44 PHE HA 1 53 PHE QD 5.000 . 6.000 5.819 5.701 6.009 0.009 15 0 "[ . 1 . 2]" 1 1314 1 44 PHE HB2 1 53 PHE QE 5.000 . 6.000 4.626 4.485 5.019 . 0 0 "[ . 1 . 2]" 1 1315 1 44 PHE HZ 1 53 PHE HA 5.000 . 6.000 3.931 3.802 4.045 . 0 0 "[ . 1 . 2]" 1 1316 1 44 PHE HZ 1 53 PHE QD 4.000 . 4.750 3.292 3.163 3.522 . 0 0 "[ . 1 . 2]" 1 1317 1 44 PHE HZ 1 53 PHE QE 5.000 . 6.000 4.369 4.198 4.642 . 0 0 "[ . 1 . 2]" 1 1318 1 44 PHE QD 1 53 PHE HA 5.000 . 6.000 3.985 3.845 4.133 . 0 0 "[ . 1 . 2]" 1 1319 1 44 PHE QD 1 53 PHE HB2 5.000 . 6.000 3.569 3.385 3.747 . 0 0 "[ . 1 . 2]" 1 1320 1 44 PHE QD 1 53 PHE HZ 5.000 . 6.000 4.512 4.435 4.886 . 0 0 "[ . 1 . 2]" 1 1321 1 44 PHE QD 1 53 PHE QE 3.000 . 3.500 3.043 2.942 3.339 . 0 0 "[ . 1 . 2]" 1 1322 1 44 PHE QE 1 53 PHE HA 4.000 . 4.750 3.488 3.242 3.724 . 0 0 "[ . 1 . 2]" 1 1323 1 44 PHE QE 1 53 PHE HZ 5.000 . 6.000 4.852 4.772 5.056 . 0 0 "[ . 1 . 2]" 1 1324 1 44 PHE QE 1 53 PHE QE 3.000 . 3.500 2.522 2.452 2.721 . 0 0 "[ . 1 . 2]" 1 1325 1 44 PHE HZ 1 56 HIS H 5.000 . 6.000 5.351 5.179 5.504 . 0 0 "[ . 1 . 2]" 1 1326 1 44 PHE HZ 1 56 HIS HA 5.000 . 6.000 5.186 5.099 5.248 . 0 0 "[ . 1 . 2]" 1 1327 1 44 PHE HZ 1 56 HIS HB3 4.000 . 4.750 3.139 2.973 3.275 . 0 0 "[ . 1 . 2]" 1 1328 1 44 PHE HZ 1 56 HIS HB2 4.000 . 4.750 3.366 3.248 3.455 . 0 0 "[ . 1 . 2]" 1 1329 1 44 PHE HZ 1 56 HIS HD2 4.000 . 4.750 3.049 2.918 3.197 . 0 0 "[ . 1 . 2]" 1 1330 1 44 PHE HZ 1 56 HIS HE1 4.000 . 4.750 3.570 3.438 3.763 . 0 0 "[ . 1 . 2]" 1 1331 1 44 PHE QD 1 56 HIS HB3 5.000 . 6.000 5.162 5.114 5.217 . 0 0 "[ . 1 . 2]" 1 1332 1 44 PHE QD 1 56 HIS HD2 5.000 . 6.000 4.901 4.814 5.013 . 0 0 "[ . 1 . 2]" 1 1333 1 44 PHE QE 1 56 HIS H 5.000 . 6.000 5.361 5.184 5.507 . 0 0 "[ . 1 . 2]" 1 1334 1 44 PHE QE 1 56 HIS HB3 4.000 . 4.750 3.684 3.560 3.787 . 0 0 "[ . 1 . 2]" 1 1335 1 44 PHE QE 1 56 HIS HB2 4.000 . 4.750 3.768 3.694 3.874 . 0 0 "[ . 1 . 2]" 1 1336 1 44 PHE QE 1 56 HIS HD2 3.000 . 3.500 2.958 2.831 3.085 . 0 0 "[ . 1 . 2]" 1 1337 1 44 PHE QE 1 56 HIS HE1 4.000 . 4.750 4.425 4.335 4.513 . 0 0 "[ . 1 . 2]" 1 1338 1 44 PHE HZ 1 57 VAL H 5.000 . 6.000 5.097 4.939 5.244 . 0 0 "[ . 1 . 2]" 1 1339 1 44 PHE HZ 1 57 VAL MG1 5.000 . 6.000 6.023 6.012 6.029 0.029 16 0 "[ . 1 . 2]" 1 1340 1 44 PHE HZ 1 57 VAL MG2 5.000 . 6.000 4.346 4.200 4.581 . 0 0 "[ . 1 . 2]" 1 1341 1 44 PHE QD 1 57 VAL MG1 5.000 . 6.000 5.955 5.775 6.016 0.016 15 0 "[ . 1 . 2]" 1 1342 1 44 PHE QD 1 57 VAL MG2 5.000 . 6.000 4.601 4.526 4.767 . 0 0 "[ . 1 . 2]" 1 1343 1 44 PHE QE 1 57 VAL MG2 4.000 . 4.750 3.737 3.634 3.894 . 0 0 "[ . 1 . 2]" 1 1344 1 48 TYR QD 1 53 PHE H 4.000 . 4.750 3.234 3.040 3.452 . 0 0 "[ . 1 . 2]" 1 1345 1 48 TYR QD 1 53 PHE HA 4.000 . 4.750 4.003 3.798 4.298 . 0 0 "[ . 1 . 2]" 1 1346 1 48 TYR QD 1 53 PHE HB2 4.000 . 4.750 2.802 2.621 3.097 . 0 0 "[ . 1 . 2]" 1 1347 1 48 TYR QD 1 54 GLU H 5.000 . 6.000 5.645 5.472 5.861 . 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 12 _Distance_constraint_stats_list.Viol_count 152 _Distance_constraint_stats_list.Viol_total 95.998 _Distance_constraint_stats_list.Viol_max 0.081 _Distance_constraint_stats_list.Viol_rms 0.0203 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0200 _Distance_constraint_stats_list.Viol_average_violations_only 0.0316 _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 CYS 1.408 0.081 19 0 "[ . 1 . 2]" 1 13 CYS 2.363 0.081 19 0 "[ . 1 . 2]" 1 29 HIS 0.818 0.053 19 0 "[ . 1 . 2]" 1 33 HIS 0.645 0.044 8 0 "[ . 1 . 2]" 1 37 CYS 1.541 0.060 9 0 "[ . 1 . 2]" 1 40 CYS 1.443 0.060 9 0 "[ . 1 . 2]" 1 56 HIS 0.650 0.048 14 0 "[ . 1 . 2]" 1 60 HIS 0.733 0.054 10 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 CYS SG 1 13 CYS SG 3.750 3.550 3.950 4.008 3.994 4.031 0.081 19 0 "[ . 1 . 2]" 2 2 1 10 CYS SG 1 29 HIS NE2 3.450 3.250 3.650 3.254 3.229 3.360 0.021 7 0 "[ . 1 . 2]" 2 3 1 10 CYS SG 1 33 HIS NE2 3.450 3.250 3.650 3.638 3.600 3.665 0.015 4 0 "[ . 1 . 2]" 2 4 1 13 CYS SG 1 29 HIS NE2 3.450 3.250 3.650 3.218 3.197 3.237 0.053 19 0 "[ . 1 . 2]" 2 5 1 13 CYS SG 1 33 HIS NE2 3.450 3.250 3.650 3.679 3.664 3.694 0.044 8 0 "[ . 1 . 2]" 2 6 1 29 HIS NE2 1 33 HIS NE2 3.150 2.950 3.350 3.184 3.037 3.286 . 0 0 "[ . 1 . 2]" 2 7 1 37 CYS SG 1 40 CYS SG 3.750 3.550 3.950 3.990 3.975 4.010 0.060 9 0 "[ . 1 . 2]" 2 8 1 37 CYS SG 1 56 HIS NE2 3.450 3.250 3.650 3.280 3.247 3.397 0.003 12 0 "[ . 1 . 2]" 2 9 1 37 CYS SG 1 60 HIS NE2 3.450 3.250 3.650 3.686 3.670 3.704 0.054 10 0 "[ . 1 . 2]" 2 10 1 40 CYS SG 1 56 HIS NE2 3.450 3.250 3.650 3.218 3.202 3.231 0.048 14 0 "[ . 1 . 2]" 2 11 1 40 CYS SG 1 60 HIS NE2 3.450 3.250 3.650 3.470 3.433 3.497 . 0 0 "[ . 1 . 2]" 2 12 1 56 HIS NE2 1 60 HIS NE2 3.150 2.950 3.350 3.293 3.233 3.352 0.002 6 0 "[ . 1 . 2]" 2 stop_ save_ save_distance_constraint_statistics_3 _Distance_constraint_stats_list.Sf_category distance_constraint_statistics _Distance_constraint_stats_list.Constraint_list_ID 3 _Distance_constraint_stats_list.Constraint_count 30 _Distance_constraint_stats_list.Viol_count 219 _Distance_constraint_stats_list.Viol_total 84.968 _Distance_constraint_stats_list.Viol_max 0.067 _Distance_constraint_stats_list.Viol_rms 0.0139 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0071 _Distance_constraint_stats_list.Viol_average_violations_only 0.0194 _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 8 LYS 0.053 0.010 7 0 "[ . 1 . 2]" 1 17 PHE 0.053 0.010 7 0 "[ . 1 . 2]" 1 23 GLN 0.106 0.016 17 0 "[ . 1 . 2]" 1 24 SER 0.747 0.043 1 0 "[ . 1 . 2]" 1 25 LYS 0.000 0.000 . 0 "[ . 1 . 2]" 1 26 PHE 0.683 0.047 15 0 "[ . 1 . 2]" 1 27 GLU 0.125 0.016 17 0 "[ . 1 . 2]" 1 28 GLU 0.800 0.043 1 0 "[ . 1 . 2]" 1 29 HIS 0.000 0.000 . 0 "[ . 1 . 2]" 1 30 VAL 0.683 0.047 15 0 "[ . 1 . 2]" 1 31 GLU 0.019 0.009 13 0 "[ . 1 . 2]" 1 32 SER 0.053 0.011 7 0 "[ . 1 . 2]" 1 35 LYS 1.621 0.067 15 0 "[ . 1 . 2]" 1 37 CYS 0.095 0.055 15 0 "[ . 1 . 2]" 1 42 GLU 0.095 0.055 15 0 "[ . 1 . 2]" 1 44 PHE 1.621 0.067 15 0 "[ . 1 . 2]" 1 51 GLN 0.327 0.026 4 0 "[ . 1 . 2]" 1 52 VAL 0.198 0.030 15 0 "[ . 1 . 2]" 1 53 PHE 0.027 0.013 18 0 "[ . 1 . 2]" 1 54 GLU 0.152 0.028 7 0 "[ . 1 . 2]" 1 55 ARG 0.494 0.026 4 0 "[ . 1 . 2]" 1 56 HIS 0.198 0.030 15 0 "[ . 1 . 2]" 1 57 VAL 0.027 0.013 18 0 "[ . 1 . 2]" 1 58 GLN 0.152 0.028 7 0 "[ . 1 . 2]" 1 59 THR 0.167 0.023 19 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 8 LYS O 1 17 PHE H 1.950 . 2.100 2.095 2.052 2.110 0.010 7 0 "[ . 1 . 2]" 3 2 1 8 LYS O 1 17 PHE N 2.900 2.700 3.100 2.953 2.850 2.996 . 0 0 "[ . 1 . 2]" 3 3 1 23 GLN O 1 27 GLU H 1.950 . 2.100 1.806 1.790 1.898 0.010 10 0 "[ . 1 . 2]" 3 4 1 23 GLN O 1 27 GLU N 2.900 2.700 3.100 2.705 2.684 2.794 0.016 17 0 "[ . 1 . 2]" 3 5 1 24 SER O 1 28 GLU H 1.950 . 2.100 2.137 2.129 2.143 0.043 1 0 "[ . 1 . 2]" 3 6 1 24 SER O 1 28 GLU N 2.900 2.700 3.100 3.057 3.029 3.084 . 0 0 "[ . 1 . 2]" 3 7 1 25 LYS O 1 29 HIS H 1.950 . 2.100 1.974 1.903 2.094 . 0 0 "[ . 1 . 2]" 3 8 1 25 LYS O 1 29 HIS N 2.900 2.700 3.100 2.881 2.817 2.984 . 0 0 "[ . 1 . 2]" 3 9 1 26 PHE O 1 30 VAL H 1.950 . 2.100 1.766 1.753 1.784 0.047 15 0 "[ . 1 . 2]" 3 10 1 26 PHE O 1 30 VAL N 2.900 2.700 3.100 2.731 2.710 2.753 . 0 0 "[ . 1 . 2]" 3 11 1 27 GLU O 1 31 GLU H 1.950 . 2.100 1.926 1.791 2.078 0.009 13 0 "[ . 1 . 2]" 3 12 1 27 GLU O 1 31 GLU N 2.900 2.700 3.100 2.819 2.697 2.932 0.003 17 0 "[ . 1 . 2]" 3 13 1 28 GLU O 1 32 SER H 1.950 . 2.100 2.015 1.969 2.097 . 0 0 "[ . 1 . 2]" 3 14 1 28 GLU O 1 32 SER N 2.900 2.700 3.100 2.721 2.689 2.825 0.011 7 0 "[ . 1 . 2]" 3 15 1 35 LYS H 1 44 PHE O 1.950 . 2.100 2.131 2.110 2.167 0.067 15 0 "[ . 1 . 2]" 3 16 1 35 LYS N 1 44 PHE O 2.900 2.700 3.100 2.965 2.932 2.999 . 0 0 "[ . 1 . 2]" 3 17 1 37 CYS H 1 42 GLU O 1.950 . 2.100 2.053 1.745 2.114 0.055 15 0 "[ . 1 . 2]" 3 18 1 37 CYS N 1 42 GLU O 2.900 2.700 3.100 2.941 2.698 3.002 0.002 15 0 "[ . 1 . 2]" 3 19 1 35 LYS O 1 44 PHE H 1.950 . 2.100 1.856 1.775 1.884 0.025 15 0 "[ . 1 . 2]" 3 20 1 35 LYS O 1 44 PHE N 2.900 2.700 3.100 2.651 2.639 2.707 0.061 10 0 "[ . 1 . 2]" 3 21 1 51 GLN O 1 55 ARG H 1.950 . 2.100 2.116 2.107 2.126 0.026 4 0 "[ . 1 . 2]" 3 22 1 51 GLN O 1 55 ARG N 2.900 2.700 3.100 3.024 2.972 3.055 . 0 0 "[ . 1 . 2]" 3 23 1 52 VAL O 1 56 HIS H 1.950 . 2.100 2.106 2.074 2.130 0.030 15 0 "[ . 1 . 2]" 3 24 1 52 VAL O 1 56 HIS N 2.900 2.700 3.100 2.981 2.949 3.029 . 0 0 "[ . 1 . 2]" 3 25 1 53 PHE O 1 57 VAL H 1.950 . 2.100 1.817 1.787 1.870 0.013 18 0 "[ . 1 . 2]" 3 26 1 53 PHE O 1 57 VAL N 2.900 2.700 3.100 2.783 2.751 2.839 . 0 0 "[ . 1 . 2]" 3 27 1 54 GLU O 1 58 GLN H 1.950 . 2.100 1.839 1.772 1.938 0.028 7 0 "[ . 1 . 2]" 3 28 1 54 GLU O 1 58 GLN N 2.900 2.700 3.100 2.718 2.694 2.772 0.006 7 0 "[ . 1 . 2]" 3 29 1 55 ARG O 1 59 THR H 1.950 . 2.100 2.076 1.959 2.123 0.023 19 0 "[ . 1 . 2]" 3 30 1 55 ARG O 1 59 THR N 2.900 2.700 3.100 2.840 2.695 2.943 0.005 5 0 "[ . 1 . 2]" 3 stop_ save_
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