NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
433555 | 2jv2 | 15465 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2jv2 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 651 _Distance_constraint_stats_list.Viol_count 774 _Distance_constraint_stats_list.Viol_total 3458.046 _Distance_constraint_stats_list.Viol_max 1.978 _Distance_constraint_stats_list.Viol_rms 0.1027 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0110 _Distance_constraint_stats_list.Viol_average_violations_only 0.2031 _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 9 GLY 0.311 0.116 14 0 "[ . 1 . 2 ]" 1 10 VAL 0.513 0.202 18 0 "[ . 1 . 2 ]" 1 11 ILE 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 12 MET 0.392 0.067 1 0 "[ . 1 . 2 ]" 1 13 SER 0.320 0.057 19 0 "[ . 1 . 2 ]" 1 14 GLU 0.320 0.057 19 0 "[ . 1 . 2 ]" 1 15 LEU 0.763 0.070 11 0 "[ . 1 . 2 ]" 1 16 LYS 4.894 0.419 17 0 "[ . 1 . 2 ]" 1 17 LEU 5.047 0.419 17 0 "[ . 1 . 2 ]" 1 18 LYS 0.721 0.103 16 0 "[ . 1 . 2 ]" 1 19 PRO 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 20 LEU 0.657 0.042 20 0 "[ . 1 . 2 ]" 1 21 PRO 0.739 0.042 20 0 "[ . 1 . 2 ]" 1 22 LYS 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 23 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 24 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 25 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 26 PRO 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 27 PRO 2.962 0.102 19 0 "[ . 1 . 2 ]" 1 28 ASP 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 29 PHE 2.833 0.188 21 0 "[ . 1 . 2 ]" 1 30 VAL 2.275 0.188 21 0 "[ . 1 . 2 ]" 1 31 ASP 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 32 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 33 ILE 0.830 0.052 19 0 "[ . 1 . 2 ]" 1 34 ARG 7.547 0.881 21 8 "[** * * 1 * . *+-]" 1 35 ILE 41.891 1.978 4 22 [***+*************-****] 1 36 LYS 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 37 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 38 GLN 60.980 1.978 4 22 [***+*****************-] 1 39 GLY 0.191 0.020 15 0 "[ . 1 . 2 ]" 1 40 LYS 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 41 THR 0.176 0.023 8 0 "[ . 1 . 2 ]" 1 42 VAL 27.140 1.369 9 22 [********+**********-**] 1 43 ARG 0.088 0.024 16 0 "[ . 1 . 2 ]" 1 44 THR 0.029 0.029 9 0 "[ . 1 . 2 ]" 1 45 GLY 0.151 0.017 8 0 "[ . 1 . 2 ]" 1 46 ASP 0.484 0.041 22 0 "[ . 1 . 2 ]" 1 47 VAL 1.013 0.056 5 0 "[ . 1 . 2 ]" 1 48 ILE 15.769 0.716 6 22 [*****+************-***] 1 49 GLY 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 50 ILE 16.267 0.825 21 18 "[** *.*-****** *** **+*]" 1 51 SER 0.879 0.228 14 0 "[ . 1 . 2 ]" 1 52 ILE 2.674 0.239 20 0 "[ . 1 . 2 ]" 1 53 LEU 4.311 0.458 20 0 "[ . 1 . 2 ]" 1 54 GLY 6.710 0.458 20 0 "[ . 1 . 2 ]" 1 55 LYS 5.074 0.239 20 0 "[ . 1 . 2 ]" 1 56 GLU 0.879 0.228 14 0 "[ . 1 . 2 ]" 1 57 VAL 7.759 0.503 6 1 "[ .+ 1 . 2 ]" 1 58 LYS 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 59 PHE 40.224 0.825 21 22 [*****-**************+*] 1 60 LYS 0.051 0.011 7 0 "[ . 1 . 2 ]" 1 61 VAL 27.965 1.369 9 22 [********+**********-**] 1 62 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 63 GLN 3.778 0.453 13 0 "[ . 1 . 2 ]" 1 64 ALA 2.310 0.453 13 0 "[ . 1 . 2 ]" 1 65 TYR 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 66 PRO 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 67 SER 0.067 0.014 6 0 "[ . 1 . 2 ]" 1 68 PRO 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 69 LEU 0.834 0.046 13 0 "[ . 1 . 2 ]" 1 70 ARG 0.191 0.020 15 0 "[ . 1 . 2 ]" 1 71 VAL 2.501 0.344 20 0 "[ . 1 . 2 ]" 1 72 GLU 9.591 0.564 22 4 "[* . 1 . -*+]" 1 73 ASP 0.157 0.018 6 0 "[ . 1 . 2 ]" 1 74 ARG 0.342 0.064 8 0 "[ . 1 . 2 ]" 1 75 THR 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 76 LYS 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 77 ILE 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 78 THR 0.548 0.032 6 0 "[ . 1 . 2 ]" 1 79 LEU 0.360 0.032 6 0 "[ . 1 . 2 ]" 1 80 VAL 0.034 0.015 6 0 "[ . 1 . 2 ]" 1 81 THR 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 57 VAL H 1 57 VAL MG1 0.000 . 4.000 2.003 1.996 2.014 . 0 0 "[ . 1 . 2 ]" 1 2 1 79 LEU H 1 79 LEU HB2 0.000 . 3.200 2.308 2.288 2.471 . 0 0 "[ . 1 . 2 ]" 1 3 1 76 LYS H 1 76 LYS QB 0.000 . 3.500 2.283 2.258 2.292 . 0 0 "[ . 1 . 2 ]" 1 4 1 61 VAL H 1 61 VAL QG 0.000 . 4.000 2.141 2.090 2.225 . 0 0 "[ . 1 . 2 ]" 1 5 1 61 VAL H 1 61 VAL HB 0.000 . 3.200 2.427 2.417 2.442 . 0 0 "[ . 1 . 2 ]" 1 6 1 60 LYS H 1 60 LYS HB3 0.000 . 3.200 2.514 2.350 2.548 . 0 0 "[ . 1 . 2 ]" 1 7 1 52 ILE H 1 52 ILE MD 0.000 . 5.000 3.813 3.641 3.884 . 0 0 "[ . 1 . 2 ]" 1 8 1 58 LYS H 1 58 LYS QG 0.000 . 4.800 2.493 2.459 2.518 . 0 0 "[ . 1 . 2 ]" 1 9 1 77 ILE H 1 77 ILE HB 0.000 . 3.200 2.570 2.543 2.577 . 0 0 "[ . 1 . 2 ]" 1 10 1 57 VAL H 1 57 VAL HB 0.000 . 3.200 3.082 3.042 3.102 . 0 0 "[ . 1 . 2 ]" 1 11 1 18 LYS H 1 18 LYS HB2 0.000 . 4.000 2.969 2.875 3.038 . 0 0 "[ . 1 . 2 ]" 1 12 1 46 ASP H 1 46 ASP HB2 0.000 . 2.700 2.332 2.314 2.345 . 0 0 "[ . 1 . 2 ]" 1 13 1 37 LEU H 1 37 LEU QB 0.000 . 3.500 2.206 2.098 2.276 . 0 0 "[ . 1 . 2 ]" 1 14 1 22 LYS H 1 22 LYS HA 2.500 2.500 3.500 2.946 2.932 2.950 . 0 0 "[ . 1 . 2 ]" 1 15 1 70 ARG H 1 70 ARG HB3 0.000 . 4.000 3.447 3.444 3.450 . 0 0 "[ . 1 . 2 ]" 1 16 1 29 PHE HA 1 29 PHE HD1 0.000 . 4.000 3.520 3.402 3.661 . 0 0 "[ . 1 . 2 ]" 1 17 1 56 GLU H 1 56 GLU QG 0.000 . 4.800 3.968 3.937 4.044 . 0 0 "[ . 1 . 2 ]" 1 18 1 12 MET H 1 12 MET QG 0.000 . 5.000 2.005 1.952 2.115 . 0 0 "[ . 1 . 2 ]" 1 19 1 34 ARG H 1 34 ARG QB 0.000 . 2.700 2.175 2.171 2.179 . 0 0 "[ . 1 . 2 ]" 1 20 1 47 VAL H 1 47 VAL MG2 0.000 . 4.000 2.801 2.700 2.853 . 0 0 "[ . 1 . 2 ]" 1 21 1 69 LEU H 1 69 LEU HB3 0.000 . 3.200 3.238 3.229 3.246 0.046 13 0 "[ . 1 . 2 ]" 1 22 1 71 VAL H 1 71 VAL MG2 0.000 . 3.500 2.202 2.147 2.255 . 0 0 "[ . 1 . 2 ]" 1 23 1 63 GLN H 1 63 GLN QG 0.000 . 4.800 4.132 3.724 4.312 . 0 0 "[ . 1 . 2 ]" 1 24 1 78 THR H 1 78 THR HB 0.000 . 3.200 2.650 2.618 2.679 . 0 0 "[ . 1 . 2 ]" 1 25 1 79 LEU H 1 79 LEU HB3 0.000 . 4.000 3.583 3.571 3.699 . 0 0 "[ . 1 . 2 ]" 1 26 1 67 SER H 1 67 SER QB 0.000 . 3.500 2.289 2.201 2.484 . 0 0 "[ . 1 . 2 ]" 1 27 1 24 GLU H 1 24 GLU QB 0.000 . 3.200 2.381 2.271 2.915 . 0 0 "[ . 1 . 2 ]" 1 28 1 81 THR H 1 81 THR HA 2.700 2.700 7.700 2.973 2.970 2.976 . 0 0 "[ . 1 . 2 ]" 1 29 1 18 LYS H 1 18 LYS HB3 0.000 . 3.200 2.671 2.588 2.755 . 0 0 "[ . 1 . 2 ]" 1 30 1 80 VAL H 1 80 VAL HB 0.000 . 4.000 2.390 2.386 2.395 . 0 0 "[ . 1 . 2 ]" 1 31 1 45 GLY H 1 45 GLY HA2 0.000 . 2.700 2.417 2.414 2.421 . 0 0 "[ . 1 . 2 ]" 1 32 1 40 LYS H 1 40 LYS HB2 0.000 . 3.200 2.303 2.273 2.329 . 0 0 "[ . 1 . 2 ]" 1 33 1 13 SER H 1 13 SER HB3 0.000 . 4.000 2.894 2.606 3.187 . 0 0 "[ . 1 . 2 ]" 1 34 1 50 ILE H 1 50 ILE HB 0.000 . 4.000 2.581 2.550 2.614 . 0 0 "[ . 1 . 2 ]" 1 35 1 25 LEU H 1 25 LEU HB2 0.000 . 3.200 2.274 2.177 2.302 . 0 0 "[ . 1 . 2 ]" 1 36 1 70 ARG H 1 70 ARG HB2 0.000 . 3.200 2.113 2.110 2.117 . 0 0 "[ . 1 . 2 ]" 1 37 1 79 LEU H 1 79 LEU HG 0.000 . 4.000 2.617 2.575 2.879 . 0 0 "[ . 1 . 2 ]" 1 38 1 58 LYS H 1 58 LYS HB2 0.000 . 3.200 2.296 2.284 2.308 . 0 0 "[ . 1 . 2 ]" 1 39 1 55 LYS H 1 55 LYS QG 0.000 . 4.800 3.534 2.919 4.137 . 0 0 "[ . 1 . 2 ]" 1 40 1 16 LYS H 1 16 LYS HB2 0.000 . 3.200 2.170 2.134 2.210 . 0 0 "[ . 1 . 2 ]" 1 41 1 42 VAL H 1 42 VAL HB 0.000 . 4.000 3.779 3.763 3.808 . 0 0 "[ . 1 . 2 ]" 1 42 1 54 GLY H 1 54 GLY HA2 0.000 . 2.700 2.365 2.362 2.366 . 0 0 "[ . 1 . 2 ]" 1 43 1 74 ARG H 1 74 ARG QG 0.000 . 3.500 2.252 1.982 2.362 . 0 0 "[ . 1 . 2 ]" 1 44 1 71 VAL H 1 71 VAL MG1 0.000 . 4.800 3.750 3.746 3.754 . 0 0 "[ . 1 . 2 ]" 1 45 1 60 LYS H 1 60 LYS HB2 0.000 . 3.200 2.669 2.630 2.772 . 0 0 "[ . 1 . 2 ]" 1 46 1 40 LYS H 1 40 LYS HB3 0.000 . 4.000 3.564 3.556 3.573 . 0 0 "[ . 1 . 2 ]" 1 47 1 25 LEU H 1 25 LEU MD1 0.000 . 5.000 3.456 3.343 3.545 . 0 0 "[ . 1 . 2 ]" 1 48 1 71 VAL H 1 71 VAL HB 0.000 . 3.200 2.403 2.382 2.432 . 0 0 "[ . 1 . 2 ]" 1 49 1 54 GLY H 1 54 GLY HA3 2.700 2.700 3.700 2.916 2.911 2.921 . 0 0 "[ . 1 . 2 ]" 1 50 1 58 LYS H 1 58 LYS HB3 0.000 . 4.000 3.570 3.565 3.574 . 0 0 "[ . 1 . 2 ]" 1 51 1 16 LYS H 1 16 LYS HB3 0.000 . 4.000 3.477 3.449 3.507 . 0 0 "[ . 1 . 2 ]" 1 52 1 47 VAL H 1 47 VAL HB 0.000 . 3.200 2.645 2.591 2.656 . 0 0 "[ . 1 . 2 ]" 1 53 1 18 LYS H 1 18 LYS QD 0.000 . 4.800 4.692 4.530 4.903 0.103 16 0 "[ . 1 . 2 ]" 1 54 1 43 ARG H 1 43 ARG QG 0.000 . 4.800 3.532 2.947 4.094 . 0 0 "[ . 1 . 2 ]" 1 55 1 74 ARG H 1 74 ARG QD 0.000 . 4.800 3.877 3.759 4.071 . 0 0 "[ . 1 . 2 ]" 1 56 1 69 LEU H 1 69 LEU HB2 0.000 . 4.000 3.872 3.864 3.880 . 0 0 "[ . 1 . 2 ]" 1 57 1 75 THR H 1 75 THR MG 0.000 . 4.800 3.731 3.719 3.741 . 0 0 "[ . 1 . 2 ]" 1 58 1 36 LYS H 1 36 LYS QB 0.000 . 3.500 2.351 2.317 2.478 . 0 0 "[ . 1 . 2 ]" 1 59 1 15 LEU H 1 15 LEU HB3 0.000 . 4.000 2.716 2.584 3.703 . 0 0 "[ . 1 . 2 ]" 1 60 1 35 ILE H 1 35 ILE MD 0.000 . 5.000 3.203 3.127 3.252 . 0 0 "[ . 1 . 2 ]" 1 61 1 55 LYS H 1 55 LYS QB 0.000 . 3.500 2.516 2.472 2.592 . 0 0 "[ . 1 . 2 ]" 1 62 1 38 GLN H 1 38 GLN QB 0.000 . 3.500 2.430 2.406 2.445 . 0 0 "[ . 1 . 2 ]" 1 63 1 11 ILE H 1 11 ILE HB 0.000 . 3.200 2.471 2.389 2.571 . 0 0 "[ . 1 . 2 ]" 1 64 1 31 ASP H 1 31 ASP QB 0.000 . 3.500 2.300 2.191 2.355 . 0 0 "[ . 1 . 2 ]" 1 65 1 65 TYR H 1 65 TYR HB2 0.000 . 4.000 2.372 2.365 2.381 . 0 0 "[ . 1 . 2 ]" 1 66 1 15 LEU H 1 15 LEU HB2 0.000 . 4.000 2.854 2.480 2.974 . 0 0 "[ . 1 . 2 ]" 1 67 1 23 VAL H 1 23 VAL HB 0.000 . 4.000 3.233 3.211 3.244 . 0 0 "[ . 1 . 2 ]" 1 68 1 29 PHE H 1 29 PHE HB3 0.000 . 4.000 3.475 3.466 3.478 . 0 0 "[ . 1 . 2 ]" 1 69 1 12 MET H 1 12 MET HB3 0.000 . 3.200 2.825 2.606 3.267 0.067 1 0 "[ . 1 . 2 ]" 1 70 1 34 ARG HA 1 34 ARG HE 0.000 . 5.000 4.710 4.612 4.787 . 0 0 "[ . 1 . 2 ]" 1 71 1 35 ILE H 1 35 ILE HG12 0.000 . 5.000 3.529 3.495 3.561 . 0 0 "[ . 1 . 2 ]" 1 72 1 62 VAL H 1 62 VAL HB 0.000 . 3.200 2.431 2.424 2.443 . 0 0 "[ . 1 . 2 ]" 1 73 1 10 VAL H 1 10 VAL HB 0.000 . 3.200 2.557 2.408 3.402 0.202 18 0 "[ . 1 . 2 ]" 1 74 1 46 ASP H 1 46 ASP HB3 0.000 . 4.000 3.552 3.549 3.554 . 0 0 "[ . 1 . 2 ]" 1 75 1 44 THR H 1 44 THR HB 0.000 . 2.700 2.672 2.655 2.729 0.029 9 0 "[ . 1 . 2 ]" 1 76 1 30 VAL H 1 30 VAL HB 0.000 . 3.200 2.410 2.327 2.423 . 0 0 "[ . 1 . 2 ]" 1 77 1 78 THR H 1 78 THR MG 0.000 . 4.800 3.868 3.848 3.883 . 0 0 "[ . 1 . 2 ]" 1 78 1 52 ILE H 1 52 ILE HB 0.000 . 3.200 2.613 2.563 2.664 . 0 0 "[ . 1 . 2 ]" 1 79 1 36 LYS H 1 36 LYS HG2 0.000 . 3.500 2.901 2.006 3.452 . 0 0 "[ . 1 . 2 ]" 1 80 1 36 LYS H 1 36 LYS HG3 0.000 . 3.500 2.587 2.138 3.412 . 0 0 "[ . 1 . 2 ]" 1 81 1 81 THR H 1 81 THR MG 0.000 . 4.000 3.087 3.030 3.153 . 0 0 "[ . 1 . 2 ]" 1 82 1 41 THR H 1 41 THR HB 0.000 . 3.200 2.508 2.503 2.531 . 0 0 "[ . 1 . 2 ]" 1 83 1 32 VAL H 1 32 VAL HB 0.000 . 2.700 2.466 2.439 2.471 . 0 0 "[ . 1 . 2 ]" 1 84 1 28 ASP H 1 28 ASP HB3 0.000 . 4.000 2.611 2.565 2.630 . 0 0 "[ . 1 . 2 ]" 1 85 1 37 LEU HA 1 37 LEU MD2 0.000 . 4.000 2.071 2.015 2.187 . 0 0 "[ . 1 . 2 ]" 1 86 1 32 VAL H 1 32 VAL MG2 0.000 . 4.200 2.044 2.015 2.098 . 0 0 "[ . 1 . 2 ]" 1 87 1 35 ILE H 1 35 ILE HG13 0.000 . 4.000 2.074 2.051 2.094 . 0 0 "[ . 1 . 2 ]" 1 88 1 11 ILE H 1 11 ILE QG 0.000 . 5.000 2.540 2.097 2.746 . 0 0 "[ . 1 . 2 ]" 1 89 1 80 VAL H 1 80 VAL MG2 0.000 . 4.000 2.329 2.298 2.383 . 0 0 "[ . 1 . 2 ]" 1 90 1 75 THR H 1 75 THR HB 0.000 . 2.700 2.559 2.485 2.600 . 0 0 "[ . 1 . 2 ]" 1 91 1 59 PHE H 1 59 PHE QD 0.000 . 4.800 3.244 3.022 3.524 . 0 0 "[ . 1 . 2 ]" 1 92 1 72 GLU H 1 72 GLU QG 0.000 . 4.800 3.594 2.887 4.080 . 0 0 "[ . 1 . 2 ]" 1 93 1 74 ARG H 1 74 ARG QB 0.000 . 3.500 2.351 2.267 2.594 . 0 0 "[ . 1 . 2 ]" 1 94 1 29 PHE HA 1 29 PHE HD2 0.000 . 4.000 3.369 3.223 3.491 . 0 0 "[ . 1 . 2 ]" 1 95 1 14 GLU H 1 14 GLU QG 0.000 . 5.000 3.858 3.458 4.181 . 0 0 "[ . 1 . 2 ]" 1 96 1 62 VAL H 1 62 VAL MG2 0.000 . 4.000 2.138 2.090 2.222 . 0 0 "[ . 1 . 2 ]" 1 97 1 35 ILE H 1 35 ILE HB 0.000 . 2.700 2.418 2.408 2.436 . 0 0 "[ . 1 . 2 ]" 1 98 1 29 PHE H 1 29 PHE HB2 0.000 . 3.200 2.121 2.108 2.124 . 0 0 "[ . 1 . 2 ]" 1 99 1 16 LYS HA 1 17 LEU MD2 0.000 . 4.800 4.987 4.575 5.219 0.419 17 0 "[ . 1 . 2 ]" 1 100 1 20 LEU HB3 1 21 PRO QD 0.000 . 4.800 3.213 3.119 3.264 . 0 0 "[ . 1 . 2 ]" 1 101 1 15 LEU QB 1 16 LYS H 0.000 . 5.000 3.807 3.337 3.866 . 0 0 "[ . 1 . 2 ]" 1 102 1 40 LYS QG 1 41 THR H 0.000 . 5.000 3.999 3.880 4.452 . 0 0 "[ . 1 . 2 ]" 1 103 1 11 ILE HA 1 12 MET H 0.000 . 3.200 2.225 2.200 2.329 . 0 0 "[ . 1 . 2 ]" 1 104 1 56 GLU QG 1 57 VAL H 0.000 . 4.800 2.887 2.808 2.958 . 0 0 "[ . 1 . 2 ]" 1 105 1 43 ARG QD 1 44 THR H 0.000 . 5.800 4.622 4.048 4.973 . 0 0 "[ . 1 . 2 ]" 1 106 1 70 ARG QG 1 71 VAL H 0.000 . 4.000 3.595 3.576 3.605 . 0 0 "[ . 1 . 2 ]" 1 107 1 74 ARG QG 1 75 THR H 0.000 . 4.800 3.788 2.308 4.227 . 0 0 "[ . 1 . 2 ]" 1 108 1 59 PHE QB 1 60 LYS H 0.000 . 4.000 3.311 3.293 3.334 . 0 0 "[ . 1 . 2 ]" 1 109 1 10 VAL HA 1 11 ILE H 0.000 . 3.200 2.245 2.205 2.351 . 0 0 "[ . 1 . 2 ]" 1 110 1 37 LEU HA 1 38 GLN H 0.000 . 4.000 3.526 3.510 3.548 . 0 0 "[ . 1 . 2 ]" 1 111 1 55 LYS HA 1 56 GLU H 0.000 . 2.700 2.213 2.204 2.234 . 0 0 "[ . 1 . 2 ]" 1 112 1 40 LYS HA 1 41 THR H 0.000 . 2.700 2.342 2.320 2.350 . 0 0 "[ . 1 . 2 ]" 1 113 1 21 PRO QB 1 22 LYS H 0.000 . 4.800 2.780 2.582 2.978 . 0 0 "[ . 1 . 2 ]" 1 114 1 49 GLY HA3 1 50 ILE H 0.000 . 4.000 3.100 3.070 3.124 . 0 0 "[ . 1 . 2 ]" 1 115 1 69 LEU HA 1 70 ARG H 0.000 . 2.700 2.327 2.318 2.333 . 0 0 "[ . 1 . 2 ]" 1 116 1 80 VAL H 1 81 THR H 3.200 3.200 8.200 4.558 4.472 4.600 . 0 0 "[ . 1 . 2 ]" 1 117 1 22 LYS H 1 23 VAL H 3.500 3.500 8.500 4.189 4.065 4.413 . 0 0 "[ . 1 . 2 ]" 1 118 1 61 VAL H 1 62 VAL H 3.200 3.200 8.200 4.456 4.426 4.481 . 0 0 "[ . 1 . 2 ]" 1 119 1 23 VAL HB 1 24 GLU H 0.000 . 5.000 4.218 4.194 4.251 . 0 0 "[ . 1 . 2 ]" 1 120 1 9 GLY QA 1 10 VAL QG 0.000 . 6.300 3.295 2.915 3.784 . 0 0 "[ . 1 . 2 ]" 1 121 1 30 VAL HA 1 31 ASP H 0.000 . 5.000 3.537 3.533 3.567 . 0 0 "[ . 1 . 2 ]" 1 122 1 29 PHE HB2 1 30 VAL HB 0.000 . 5.000 4.485 4.421 4.838 . 0 0 "[ . 1 . 2 ]" 1 123 1 35 ILE MG 1 36 LYS H 0.000 . 4.000 3.391 3.363 3.400 . 0 0 "[ . 1 . 2 ]" 1 124 1 15 LEU HA 1 16 LYS H 0.000 . 2.700 2.207 2.197 2.214 . 0 0 "[ . 1 . 2 ]" 1 125 1 57 VAL MG2 1 58 LYS H 0.000 . 4.800 2.716 2.662 2.800 . 0 0 "[ . 1 . 2 ]" 1 126 1 18 LYS QG 1 19 PRO QD 0.000 . 4.800 2.344 2.029 2.606 . 0 0 "[ . 1 . 2 ]" 1 127 1 77 ILE HA 1 78 THR H 0.000 . 2.700 2.225 2.207 2.245 . 0 0 "[ . 1 . 2 ]" 1 128 1 70 ARG HA 1 71 VAL H 0.000 . 2.700 2.248 2.233 2.270 . 0 0 "[ . 1 . 2 ]" 1 129 1 74 ARG QB 1 75 THR H 0.000 . 4.800 3.097 2.909 3.662 . 0 0 "[ . 1 . 2 ]" 1 130 1 64 ALA HA 1 65 TYR H 0.000 . 2.700 2.228 2.220 2.240 . 0 0 "[ . 1 . 2 ]" 1 131 1 56 GLU QB 1 57 VAL H 0.000 . 4.800 3.830 3.770 3.862 . 0 0 "[ . 1 . 2 ]" 1 132 1 68 PRO QB 1 69 LEU H 0.000 . 4.000 2.789 2.726 2.844 . 0 0 "[ . 1 . 2 ]" 1 133 1 18 LYS HA 1 19 PRO QD 0.000 . 3.200 2.083 2.007 2.111 . 0 0 "[ . 1 . 2 ]" 1 134 1 52 ILE MG 1 53 LEU H 0.000 . 4.000 2.865 2.640 2.996 . 0 0 "[ . 1 . 2 ]" 1 135 1 24 GLU QB 1 25 LEU H 0.000 . 5.000 3.635 3.213 3.934 . 0 0 "[ . 1 . 2 ]" 1 136 1 55 LYS H 1 56 GLU H 3.200 3.200 8.200 4.316 4.253 4.370 . 0 0 "[ . 1 . 2 ]" 1 137 1 63 GLN HA 1 64 ALA H 0.000 . 2.700 2.202 2.195 2.212 . 0 0 "[ . 1 . 2 ]" 1 138 1 31 ASP QB 1 32 VAL H 0.000 . 4.800 2.500 2.469 2.554 . 0 0 "[ . 1 . 2 ]" 1 139 1 43 ARG QB 1 44 THR H 0.000 . 4.800 3.222 2.856 3.599 . 0 0 "[ . 1 . 2 ]" 1 140 1 44 THR MG 1 45 GLY H 0.000 . 4.000 2.579 2.478 2.626 . 0 0 "[ . 1 . 2 ]" 1 141 1 31 ASP H 1 32 VAL H 0.000 . 3.200 2.615 2.600 2.708 . 0 0 "[ . 1 . 2 ]" 1 142 1 14 GLU HA 1 15 LEU H 0.000 . 2.700 2.270 2.239 2.304 . 0 0 "[ . 1 . 2 ]" 1 143 1 47 VAL QG 1 48 ILE H 0.000 . 4.200 2.711 2.649 2.792 . 0 0 "[ . 1 . 2 ]" 1 144 1 17 LEU MD2 1 18 LYS H 0.000 . 5.800 3.289 3.131 3.530 . 0 0 "[ . 1 . 2 ]" 1 145 1 53 LEU HB2 1 54 GLY H 4.000 4.000 9.000 4.125 4.079 4.472 . 0 0 "[ . 1 . 2 ]" 1 146 1 58 LYS HB2 1 59 PHE H 0.000 . 5.000 4.280 4.235 4.341 . 0 0 "[ . 1 . 2 ]" 1 147 1 21 PRO HD3 1 22 LYS H 3.200 3.200 8.200 5.589 5.559 5.615 . 0 0 "[ . 1 . 2 ]" 1 148 1 33 ILE MD 1 34 ARG H 0.000 . 5.800 4.627 4.616 4.645 . 0 0 "[ . 1 . 2 ]" 1 149 1 48 ILE MG 1 49 GLY H 0.000 . 5.000 3.861 3.836 3.898 . 0 0 "[ . 1 . 2 ]" 1 150 1 73 ASP HA 1 74 ARG H 0.000 . 5.000 3.526 3.515 3.531 . 0 0 "[ . 1 . 2 ]" 1 151 1 30 VAL HB 1 31 ASP H 0.000 . 4.000 3.827 2.532 3.959 . 0 0 "[ . 1 . 2 ]" 1 152 1 29 PHE H 1 30 VAL H 0.000 . 4.000 2.816 2.801 2.867 . 0 0 "[ . 1 . 2 ]" 1 153 1 80 VAL HA 1 81 THR H 0.000 . 2.700 2.232 2.201 2.284 . 0 0 "[ . 1 . 2 ]" 1 154 1 71 VAL H 1 72 GLU H 3.200 3.200 8.200 4.572 4.521 4.604 . 0 0 "[ . 1 . 2 ]" 1 155 1 41 THR H 1 42 VAL H 3.200 3.200 5.000 4.592 4.586 4.597 . 0 0 "[ . 1 . 2 ]" 1 156 1 53 LEU HA 1 54 GLY H 2.700 2.700 7.700 2.976 2.943 2.985 . 0 0 "[ . 1 . 2 ]" 1 157 1 35 ILE H 1 36 LYS H 0.000 . 3.200 2.693 2.682 2.718 . 0 0 "[ . 1 . 2 ]" 1 158 1 32 VAL H 1 33 ILE H 0.000 . 3.200 2.615 2.609 2.623 . 0 0 "[ . 1 . 2 ]" 1 159 1 22 LYS HA 1 23 VAL H 0.000 . 2.700 2.297 2.160 2.355 . 0 0 "[ . 1 . 2 ]" 1 160 1 64 ALA MB 1 65 TYR H 0.000 . 4.800 3.137 3.090 3.199 . 0 0 "[ . 1 . 2 ]" 1 161 1 17 LEU HA 1 18 LYS H 0.000 . 2.700 2.310 2.291 2.329 . 0 0 "[ . 1 . 2 ]" 1 162 1 69 LEU QD 1 70 ARG H 0.000 . 5.500 3.292 3.264 3.310 . 0 0 "[ . 1 . 2 ]" 1 163 1 23 VAL QG 1 24 GLU H 0.000 . 5.500 2.477 2.413 2.582 . 0 0 "[ . 1 . 2 ]" 1 164 1 21 PRO HD2 1 22 LYS H 3.200 3.200 8.200 5.638 5.585 5.675 . 0 0 "[ . 1 . 2 ]" 1 165 1 47 VAL H 1 48 ILE H 3.200 3.200 5.000 4.335 4.315 4.359 . 0 0 "[ . 1 . 2 ]" 1 166 1 53 LEU H 1 54 GLY H 2.700 2.700 7.700 2.857 2.826 2.865 . 0 0 "[ . 1 . 2 ]" 1 167 1 9 GLY H 1 10 VAL H 3.200 3.200 5.000 4.067 3.084 4.642 0.116 14 0 "[ . 1 . 2 ]" 1 168 1 46 ASP HA 1 47 VAL H 0.000 . 2.700 2.307 2.297 2.317 . 0 0 "[ . 1 . 2 ]" 1 169 1 10 VAL HB 1 11 ILE H 0.000 . 5.000 4.164 3.916 4.533 . 0 0 "[ . 1 . 2 ]" 1 170 1 76 LYS QB 1 77 ILE H 0.000 . 4.800 3.064 2.960 3.201 . 0 0 "[ . 1 . 2 ]" 1 171 1 50 ILE HA 1 51 SER H 0.000 . 2.700 2.221 2.207 2.245 . 0 0 "[ . 1 . 2 ]" 1 172 1 79 LEU QD 1 80 VAL H 0.000 . 4.700 3.486 3.431 3.505 . 0 0 "[ . 1 . 2 ]" 1 173 1 40 LYS HB3 1 41 THR H 0.000 . 3.200 2.828 2.805 2.890 . 0 0 "[ . 1 . 2 ]" 1 174 1 63 GLN QB 1 64 ALA H 0.000 . 5.800 3.680 3.317 3.816 . 0 0 "[ . 1 . 2 ]" 1 175 1 44 THR H 1 45 GLY H 3.200 3.200 5.000 4.670 4.652 4.680 . 0 0 "[ . 1 . 2 ]" 1 176 1 38 GLN H 1 39 GLY H 3.200 3.200 5.000 4.710 4.705 4.715 . 0 0 "[ . 1 . 2 ]" 1 177 1 19 PRO QB 1 20 LEU H 0.000 . 5.800 3.191 3.136 3.261 . 0 0 "[ . 1 . 2 ]" 1 178 1 60 LYS H 1 61 VAL H 3.200 3.200 5.000 4.543 4.509 4.554 . 0 0 "[ . 1 . 2 ]" 1 179 1 64 ALA H 1 65 TYR H 3.200 3.200 5.000 4.520 4.489 4.541 . 0 0 "[ . 1 . 2 ]" 1 180 1 58 LYS HB3 1 59 PHE H 0.000 . 4.000 3.378 3.294 3.502 . 0 0 "[ . 1 . 2 ]" 1 181 1 35 ILE HB 1 36 LYS H 0.000 . 3.200 2.536 2.479 2.557 . 0 0 "[ . 1 . 2 ]" 1 182 1 65 TYR HB3 1 66 PRO HA 0.000 . 4.000 3.932 3.855 3.981 . 0 0 "[ . 1 . 2 ]" 1 183 1 34 ARG HE 1 35 ILE HG12 0.000 . 5.000 4.114 3.907 4.331 . 0 0 "[ . 1 . 2 ]" 1 184 1 60 LYS HB2 1 61 VAL H 0.000 . 5.000 4.293 4.254 4.355 . 0 0 "[ . 1 . 2 ]" 1 185 1 71 VAL HB 1 72 GLU H 0.000 . 5.000 4.244 4.168 4.311 . 0 0 "[ . 1 . 2 ]" 1 186 1 27 PRO QG 1 28 ASP H 0.000 . 4.800 4.173 4.110 4.190 . 0 0 "[ . 1 . 2 ]" 1 187 1 65 TYR HB2 1 66 PRO HA 0.000 . 5.000 4.759 4.737 4.781 . 0 0 "[ . 1 . 2 ]" 1 188 1 77 ILE H 1 78 THR H 3.200 3.200 5.000 4.421 4.376 4.462 . 0 0 "[ . 1 . 2 ]" 1 189 1 29 PHE HD2 1 30 VAL HA 0.000 . 5.800 5.811 5.733 5.833 0.033 13 0 "[ . 1 . 2 ]" 1 190 1 11 ILE MG 1 12 MET H 0.000 . 5.000 2.826 2.283 3.200 . 0 0 "[ . 1 . 2 ]" 1 191 1 29 PHE HA 1 30 VAL H 0.000 . 5.000 3.576 3.571 3.580 . 0 0 "[ . 1 . 2 ]" 1 192 1 59 PHE QD 1 60 LYS H 0.000 . 5.000 3.850 3.673 3.958 . 0 0 "[ . 1 . 2 ]" 1 193 1 33 ILE HB 1 34 ARG H 0.000 . 3.200 2.513 2.497 2.569 . 0 0 "[ . 1 . 2 ]" 1 194 1 75 THR HB 1 76 LYS H 0.000 . 5.000 4.115 4.042 4.180 . 0 0 "[ . 1 . 2 ]" 1 195 1 76 LYS HA 1 77 ILE H 0.000 . 2.700 2.263 2.233 2.291 . 0 0 "[ . 1 . 2 ]" 1 196 1 20 LEU HA 1 21 PRO HD2 0.000 . 4.000 4.030 4.020 4.042 0.042 20 0 "[ . 1 . 2 ]" 1 197 1 62 VAL QG 1 63 GLN H 0.000 . 4.700 3.204 3.181 3.232 . 0 0 "[ . 1 . 2 ]" 1 198 1 27 PRO HB3 1 28 ASP H 0.000 . 5.000 4.474 4.398 4.487 . 0 0 "[ . 1 . 2 ]" 1 199 1 63 GLN H 1 64 ALA H 3.200 3.200 5.000 4.141 4.087 4.192 . 0 0 "[ . 1 . 2 ]" 1 200 1 48 ILE HA 1 49 GLY H 0.000 . 2.700 2.314 2.268 2.345 . 0 0 "[ . 1 . 2 ]" 1 201 1 34 ARG HE 1 35 ILE HG13 0.000 . 4.000 3.371 3.087 3.548 . 0 0 "[ . 1 . 2 ]" 1 202 1 78 THR HA 1 79 LEU H 0.000 . 2.700 2.244 2.230 2.284 . 0 0 "[ . 1 . 2 ]" 1 203 1 42 VAL HA 1 43 ARG H 0.000 . 2.700 2.237 2.224 2.255 . 0 0 "[ . 1 . 2 ]" 1 204 1 16 LYS HA 1 17 LEU H 0.000 . 2.700 2.203 2.187 2.216 . 0 0 "[ . 1 . 2 ]" 1 205 1 40 LYS HB2 1 41 THR H 0.000 . 5.000 3.939 3.921 3.980 . 0 0 "[ . 1 . 2 ]" 1 206 1 28 ASP HB2 1 29 PHE H 0.000 . 5.000 3.920 3.895 3.954 . 0 0 "[ . 1 . 2 ]" 1 207 1 9 GLY QA 1 10 VAL H 0.000 . 3.200 2.328 2.163 2.735 . 0 0 "[ . 1 . 2 ]" 1 208 1 23 VAL H 1 24 GLU H 3.200 3.200 8.200 4.348 4.321 4.361 . 0 0 "[ . 1 . 2 ]" 1 209 1 72 GLU QG 1 73 ASP H 0.000 . 5.800 2.796 1.944 4.277 . 0 0 "[ . 1 . 2 ]" 1 210 1 74 ARG HA 1 75 THR H 0.000 . 4.000 3.504 3.492 3.517 . 0 0 "[ . 1 . 2 ]" 1 211 1 68 PRO HA 1 69 LEU H 0.000 . 2.700 2.385 2.368 2.408 . 0 0 "[ . 1 . 2 ]" 1 212 1 71 VAL HA 1 72 GLU HA 0.000 . 5.000 4.511 4.504 4.518 . 0 0 "[ . 1 . 2 ]" 1 213 1 53 LEU MD2 1 54 GLY H 4.800 4.800 9.800 4.714 4.454 5.603 0.346 21 0 "[ . 1 . 2 ]" 1 214 1 77 ILE MG 1 78 THR H 0.000 . 4.800 2.627 2.539 2.753 . 0 0 "[ . 1 . 2 ]" 1 215 1 59 PHE HA 1 60 LYS H 0.000 . 2.700 2.212 2.200 2.217 . 0 0 "[ . 1 . 2 ]" 1 216 1 79 LEU HA 1 80 VAL H 0.000 . 2.700 2.203 2.155 2.213 . 0 0 "[ . 1 . 2 ]" 1 217 1 56 GLU H 1 57 VAL H 3.200 3.200 8.200 4.555 4.534 4.578 . 0 0 "[ . 1 . 2 ]" 1 218 1 25 LEU HA 1 26 PRO QD 0.000 . 3.200 2.000 1.988 2.017 . 0 0 "[ . 1 . 2 ]" 1 219 1 16 LYS QB 1 17 LEU H 0.000 . 4.000 3.411 3.230 3.577 . 0 0 "[ . 1 . 2 ]" 1 220 1 57 VAL HB 1 58 LYS H 0.000 . 5.000 4.306 4.279 4.330 . 0 0 "[ . 1 . 2 ]" 1 221 1 44 THR HB 1 45 GLY H 0.000 . 5.000 4.041 3.999 4.071 . 0 0 "[ . 1 . 2 ]" 1 222 1 56 GLU HA 1 57 VAL H 0.000 . 2.700 2.207 2.199 2.215 . 0 0 "[ . 1 . 2 ]" 1 223 1 73 ASP QB 1 74 ARG QG 0.000 . 6.600 3.373 2.925 4.111 . 0 0 "[ . 1 . 2 ]" 1 224 1 12 MET QB 1 13 SER H 0.000 . 4.800 3.506 3.133 3.608 . 0 0 "[ . 1 . 2 ]" 1 225 1 28 ASP HA 1 29 PHE H 0.000 . 4.000 3.518 3.509 3.521 . 0 0 "[ . 1 . 2 ]" 1 226 1 61 VAL HA 1 62 VAL H 0.000 . 2.700 2.199 2.195 2.208 . 0 0 "[ . 1 . 2 ]" 1 227 1 69 LEU HB2 1 70 ARG H 0.000 . 4.000 2.897 2.874 2.913 . 0 0 "[ . 1 . 2 ]" 1 228 1 80 VAL MG1 1 81 THR HA 0.000 . 4.000 3.379 3.375 3.392 . 0 0 "[ . 1 . 2 ]" 1 229 1 57 VAL HA 1 58 LYS H 0.000 . 2.700 2.200 2.196 2.204 . 0 0 "[ . 1 . 2 ]" 1 230 1 66 PRO HB2 1 67 SER H 0.000 . 3.200 2.804 2.783 2.834 . 0 0 "[ . 1 . 2 ]" 1 231 1 16 LYS QD 1 17 LEU H 0.000 . 5.000 4.333 3.365 4.542 . 0 0 "[ . 1 . 2 ]" 1 232 1 32 VAL HB 1 33 ILE H 0.000 . 3.200 2.565 2.551 2.581 . 0 0 "[ . 1 . 2 ]" 1 233 1 73 ASP QB 1 74 ARG H 0.000 . 4.800 2.860 2.708 3.555 . 0 0 "[ . 1 . 2 ]" 1 234 1 62 VAL H 1 63 GLN H 0.000 . 3.200 2.470 2.452 2.501 . 0 0 "[ . 1 . 2 ]" 1 235 1 58 LYS HA 1 59 PHE H 0.000 . 2.700 2.220 2.209 2.230 . 0 0 "[ . 1 . 2 ]" 1 236 1 10 VAL QG 1 11 ILE H 0.000 . 4.700 2.623 2.255 3.495 . 0 0 "[ . 1 . 2 ]" 1 237 1 75 THR HA 1 76 LYS H 0.000 . 2.700 2.208 2.193 2.224 . 0 0 "[ . 1 . 2 ]" 1 238 1 14 GLU QG 1 15 LEU H 0.000 . 4.000 2.924 2.302 3.609 . 0 0 "[ . 1 . 2 ]" 1 239 1 37 LEU H 1 38 GLN H 0.000 . 3.200 2.380 2.360 2.416 . 0 0 "[ . 1 . 2 ]" 1 240 1 54 GLY HA2 1 55 LYS H 3.200 3.200 5.000 3.098 3.087 3.111 0.113 13 0 "[ . 1 . 2 ]" 1 241 1 33 ILE H 1 34 ARG H 0.000 . 4.000 2.734 2.709 2.748 . 0 0 "[ . 1 . 2 ]" 1 242 1 30 VAL QG 1 31 ASP H 0.000 . 4.000 2.071 1.964 3.104 . 0 0 "[ . 1 . 2 ]" 1 243 1 11 ILE HB 1 12 MET H 0.000 . 5.000 4.247 3.929 4.423 . 0 0 "[ . 1 . 2 ]" 1 244 1 41 THR HA 1 42 VAL MG2 0.000 . 4.000 3.379 3.370 3.394 . 0 0 "[ . 1 . 2 ]" 1 245 1 78 THR HB 1 79 LEU H 0.000 . 4.000 4.009 3.910 4.032 0.032 6 0 "[ . 1 . 2 ]" 1 246 1 61 VAL QG 1 62 VAL H 0.000 . 4.800 3.013 2.967 3.074 . 0 0 "[ . 1 . 2 ]" 1 247 1 53 LEU MD1 1 54 GLY H 4.800 4.800 9.800 5.374 4.342 5.576 0.458 20 0 "[ . 1 . 2 ]" 1 248 1 12 MET H 1 13 SER H 3.200 3.200 5.000 4.346 4.081 4.584 . 0 0 "[ . 1 . 2 ]" 1 249 1 72 GLU HB3 1 73 ASP H 0.000 . 4.000 3.114 2.363 3.617 . 0 0 "[ . 1 . 2 ]" 1 250 1 65 TYR H 1 66 PRO HA 0.000 . 5.000 4.591 4.549 4.636 . 0 0 "[ . 1 . 2 ]" 1 251 1 66 PRO QD 1 67 SER H 3.200 3.200 8.200 4.990 4.983 4.997 . 0 0 "[ . 1 . 2 ]" 1 252 1 72 GLU HA 1 73 ASP H 0.000 . 3.200 2.458 2.410 2.533 . 0 0 "[ . 1 . 2 ]" 1 253 1 61 VAL HB 1 62 VAL H 0.000 . 5.000 4.368 4.344 4.393 . 0 0 "[ . 1 . 2 ]" 1 254 1 30 VAL H 1 31 ASP H 0.000 . 3.200 2.754 2.738 2.852 . 0 0 "[ . 1 . 2 ]" 1 255 1 41 THR HB 1 42 VAL H 0.000 . 5.000 3.853 3.805 3.880 . 0 0 "[ . 1 . 2 ]" 1 256 1 63 GLN QE 1 64 ALA H 4.000 4.000 9.000 4.750 3.547 6.090 0.453 13 0 "[ . 1 . 2 ]" 1 257 1 20 LEU HG 1 21 PRO QD 0.000 . 4.800 4.063 3.948 4.200 . 0 0 "[ . 1 . 2 ]" 1 258 1 66 PRO HA 1 67 SER H 0.000 . 3.200 2.418 2.407 2.427 . 0 0 "[ . 1 . 2 ]" 1 259 1 48 ILE HB 1 49 GLY H 0.000 . 4.000 2.884 2.793 3.028 . 0 0 "[ . 1 . 2 ]" 1 260 1 22 LYS QB 1 23 VAL H 0.000 . 4.800 3.864 3.479 4.055 . 0 0 "[ . 1 . 2 ]" 1 261 1 20 LEU MD1 1 21 PRO QD 0.000 . 5.500 3.737 3.629 3.826 . 0 0 "[ . 1 . 2 ]" 1 262 1 33 ILE HA 1 34 ARG H 0.000 . 5.000 3.573 3.568 3.577 . 0 0 "[ . 1 . 2 ]" 1 263 1 51 SER HA 1 52 ILE H 0.000 . 2.700 2.212 2.208 2.217 . 0 0 "[ . 1 . 2 ]" 1 264 1 24 GLU QG 1 25 LEU H 0.000 . 5.800 3.822 2.855 4.707 . 0 0 "[ . 1 . 2 ]" 1 265 1 29 PHE H 1 30 VAL QG 0.000 . 5.500 3.954 3.904 4.087 . 0 0 "[ . 1 . 2 ]" 1 266 1 47 VAL HA 1 48 ILE H 0.000 . 2.700 2.215 2.207 2.226 . 0 0 "[ . 1 . 2 ]" 1 267 1 37 LEU QB 1 38 GLN H 0.000 . 4.800 2.836 2.731 2.949 . 0 0 "[ . 1 . 2 ]" 1 268 1 20 LEU HA 1 21 PRO HD3 0.000 . 5.000 4.449 4.428 4.462 . 0 0 "[ . 1 . 2 ]" 1 269 1 51 SER QB 1 52 ILE H 0.000 . 4.800 3.728 3.340 3.924 . 0 0 "[ . 1 . 2 ]" 1 270 1 59 PHE H 1 60 LYS H 3.200 3.200 5.000 4.415 4.383 4.436 . 0 0 "[ . 1 . 2 ]" 1 271 1 38 GLN HA 1 39 GLY H 0.000 . 3.200 2.290 2.269 2.317 . 0 0 "[ . 1 . 2 ]" 1 272 1 13 SER HA 1 14 GLU H 0.000 . 2.700 2.341 2.253 2.442 . 0 0 "[ . 1 . 2 ]" 1 273 1 71 VAL HA 1 72 GLU H 0.000 . 2.700 2.211 2.197 2.230 . 0 0 "[ . 1 . 2 ]" 1 274 1 67 SER H 1 68 PRO QD 3.200 3.200 8.200 4.954 4.942 4.961 . 0 0 "[ . 1 . 2 ]" 1 275 1 23 VAL HA 1 24 GLU H 0.000 . 2.700 2.250 2.235 2.262 . 0 0 "[ . 1 . 2 ]" 1 276 1 78 THR MG 1 79 LEU H 0.000 . 4.000 2.480 2.228 2.613 . 0 0 "[ . 1 . 2 ]" 1 277 1 42 VAL HB 1 43 ARG H 0.000 . 3.200 3.160 3.071 3.224 0.024 16 0 "[ . 1 . 2 ]" 1 278 1 25 LEU HB3 1 26 PRO QD 0.000 . 4.800 3.074 2.623 3.310 . 0 0 "[ . 1 . 2 ]" 1 279 1 42 VAL H 1 43 ARG H 3.200 3.200 5.000 4.422 4.397 4.443 . 0 0 "[ . 1 . 2 ]" 1 280 1 55 LYS QB 1 56 GLU H 0.000 . 4.800 3.535 3.153 3.835 . 0 0 "[ . 1 . 2 ]" 1 281 1 38 GLN QB 1 39 GLY H 0.000 . 5.000 2.847 2.772 2.923 . 0 0 "[ . 1 . 2 ]" 1 282 1 71 VAL MG1 1 72 GLU H 0.000 . 4.000 2.751 2.625 2.882 . 0 0 "[ . 1 . 2 ]" 1 283 1 19 PRO HA 1 20 LEU H 0.000 . 3.200 2.245 2.230 2.257 . 0 0 "[ . 1 . 2 ]" 1 284 1 72 GLU HB2 1 73 ASP H 0.000 . 4.000 3.836 3.548 4.018 0.018 6 0 "[ . 1 . 2 ]" 1 285 1 76 LYS QG 1 77 ILE H 0.000 . 4.800 4.050 3.996 4.114 . 0 0 "[ . 1 . 2 ]" 1 286 1 52 ILE HA 1 53 LEU H 0.000 . 3.200 2.202 2.197 2.220 . 0 0 "[ . 1 . 2 ]" 1 287 1 63 GLN QG 1 64 ALA H 0.000 . 4.000 3.003 2.698 3.612 . 0 0 "[ . 1 . 2 ]" 1 288 1 52 ILE H 1 53 LEU H 3.200 3.200 8.200 4.302 4.243 4.371 . 0 0 "[ . 1 . 2 ]" 1 289 1 12 MET HA 1 13 SER H 0.000 . 2.700 2.187 2.154 2.224 . 0 0 "[ . 1 . 2 ]" 1 290 1 60 LYS HA 1 61 VAL H 0.000 . 2.700 2.244 2.225 2.260 . 0 0 "[ . 1 . 2 ]" 1 291 1 35 ILE HA 1 36 LYS H 0.000 . 5.000 3.567 3.563 3.577 . 0 0 "[ . 1 . 2 ]" 1 292 1 46 ASP HB3 1 47 VAL H 0.000 . 3.200 2.895 2.872 2.910 . 0 0 "[ . 1 . 2 ]" 1 293 1 12 MET QG 1 13 SER H 0.000 . 5.800 4.269 4.087 4.457 . 0 0 "[ . 1 . 2 ]" 1 294 1 29 PHE H 1 30 VAL HB 0.000 . 5.500 5.010 4.806 5.040 . 0 0 "[ . 1 . 2 ]" 1 295 1 69 LEU H 1 70 ARG H 3.200 3.200 5.000 4.441 4.436 4.444 . 0 0 "[ . 1 . 2 ]" 1 296 1 43 ARG HA 1 44 THR H 0.000 . 2.700 2.308 2.287 2.342 . 0 0 "[ . 1 . 2 ]" 1 297 1 70 ARG H 1 71 VAL H 3.200 3.200 8.200 4.601 4.593 4.606 . 0 0 "[ . 1 . 2 ]" 1 298 1 46 ASP H 1 47 VAL H 3.200 3.200 5.000 4.696 4.691 4.701 . 0 0 "[ . 1 . 2 ]" 1 299 1 20 LEU H 1 21 PRO QD 0.000 . 3.500 2.192 2.120 2.268 . 0 0 "[ . 1 . 2 ]" 1 300 1 33 ILE MG 1 34 ARG H 0.000 . 4.000 3.369 3.353 3.398 . 0 0 "[ . 1 . 2 ]" 1 301 1 21 PRO HA 1 22 LYS H 0.000 . 3.200 2.380 2.304 2.463 . 0 0 "[ . 1 . 2 ]" 1 302 1 58 LYS H 1 59 PHE H 3.200 3.200 5.000 4.541 4.506 4.564 . 0 0 "[ . 1 . 2 ]" 1 303 1 14 GLU QB 1 15 LEU H 0.000 . 4.000 3.346 2.902 3.603 . 0 0 "[ . 1 . 2 ]" 1 304 1 28 ASP H 1 29 PHE H 0.000 . 4.000 2.503 2.482 2.552 . 0 0 "[ . 1 . 2 ]" 1 305 1 10 VAL H 1 11 ILE H 3.200 3.200 8.200 4.453 3.467 4.628 . 0 0 "[ . 1 . 2 ]" 1 306 1 60 LYS QG 1 61 VAL H 0.000 . 4.800 2.572 2.438 2.921 . 0 0 "[ . 1 . 2 ]" 1 307 1 62 VAL HA 1 63 GLN H 0.000 . 4.000 3.571 3.567 3.578 . 0 0 "[ . 1 . 2 ]" 1 308 1 73 ASP H 1 74 ARG H 2.700 2.700 5.000 2.732 2.707 2.770 . 0 0 "[ . 1 . 2 ]" 1 309 1 48 ILE H 1 49 GLY H 3.200 3.200 5.000 4.454 4.423 4.468 . 0 0 "[ . 1 . 2 ]" 1 310 1 24 GLU H 1 25 LEU H 3.200 3.200 8.200 4.330 4.166 4.429 . 0 0 "[ . 1 . 2 ]" 1 311 1 54 GLY H 1 55 LYS H 2.500 2.500 4.000 2.515 2.499 2.545 0.001 20 0 "[ . 1 . 2 ]" 1 312 1 60 LYS HB3 1 61 VAL H 0.000 . 5.000 4.033 3.962 4.215 . 0 0 "[ . 1 . 2 ]" 1 313 1 29 PHE HB3 1 30 VAL HB 0.000 . 5.000 4.676 4.595 5.188 0.188 21 0 "[ . 1 . 2 ]" 1 314 1 45 GLY H 1 46 ASP H 0.000 . 3.200 2.713 2.697 2.726 . 0 0 "[ . 1 . 2 ]" 1 315 1 39 GLY HA2 1 40 LYS H 0.000 . 4.000 3.523 3.518 3.527 . 0 0 "[ . 1 . 2 ]" 1 316 1 57 VAL MG1 1 58 LYS H 0.000 . 5.800 4.025 3.998 4.042 . 0 0 "[ . 1 . 2 ]" 1 317 1 50 ILE H 1 51 SER H 3.200 3.200 8.200 4.379 4.337 4.410 . 0 0 "[ . 1 . 2 ]" 1 318 1 65 TYR HA 1 66 PRO HA 0.000 . 2.700 1.974 1.959 1.989 . 0 0 "[ . 1 . 2 ]" 1 319 1 45 GLY HA2 1 46 ASP H 2.700 2.700 7.700 3.490 3.482 3.495 . 0 0 "[ . 1 . 2 ]" 1 320 1 14 GLU H 1 15 LEU H 3.200 3.200 5.000 4.359 4.323 4.389 . 0 0 "[ . 1 . 2 ]" 1 321 1 15 LEU QD 1 16 LYS H 0.000 . 5.000 2.815 2.384 3.408 . 0 0 "[ . 1 . 2 ]" 1 322 1 75 THR MG 1 76 LYS H 0.000 . 4.000 2.684 2.448 2.872 . 0 0 "[ . 1 . 2 ]" 1 323 1 13 SER HB3 1 14 GLU H 0.000 . 4.000 4.007 3.945 4.057 0.057 19 0 "[ . 1 . 2 ]" 1 324 1 31 ASP HA 1 32 VAL H 0.000 . 5.000 3.566 3.562 3.568 . 0 0 "[ . 1 . 2 ]" 1 325 1 39 GLY H 1 40 LYS H 0.000 . 3.200 2.888 2.867 2.904 . 0 0 "[ . 1 . 2 ]" 1 326 1 77 ILE HB 1 78 THR H 0.000 . 5.000 4.178 4.114 4.249 . 0 0 "[ . 1 . 2 ]" 1 327 1 25 LEU MD2 1 26 PRO QD 0.000 . 5.600 2.762 2.448 2.960 . 0 0 "[ . 1 . 2 ]" 1 328 1 13 SER H 1 14 GLU H 3.200 3.200 5.000 4.566 4.465 4.672 . 0 0 "[ . 1 . 2 ]" 1 329 1 51 SER H 1 52 ILE H 3.200 3.200 8.200 4.492 4.453 4.548 . 0 0 "[ . 1 . 2 ]" 1 330 1 36 LYS QB 1 37 LEU H 0.000 . 4.000 2.694 2.571 3.564 . 0 0 "[ . 1 . 2 ]" 1 331 1 29 PHE QB 1 30 VAL H 0.000 . 4.800 2.605 2.419 2.657 . 0 0 "[ . 1 . 2 ]" 1 332 1 27 PRO HB2 1 28 ASP H 0.000 . 4.000 3.419 3.286 3.440 . 0 0 "[ . 1 . 2 ]" 1 333 1 36 LYS HA 1 37 LEU H 0.000 . 5.000 3.562 3.529 3.571 . 0 0 "[ . 1 . 2 ]" 1 334 1 54 GLY HA3 1 55 LYS H 0.000 . 3.500 3.507 3.502 3.511 0.011 8 0 "[ . 1 . 2 ]" 1 335 1 66 PRO HB3 1 67 SER H 0.000 . 4.000 3.672 3.652 3.700 . 0 0 "[ . 1 . 2 ]" 1 336 1 69 LEU HB3 1 70 ARG H 0.000 . 5.000 4.055 4.043 4.064 . 0 0 "[ . 1 . 2 ]" 1 337 1 24 GLU HA 1 25 LEU H 0.000 . 2.700 2.210 2.202 2.232 . 0 0 "[ . 1 . 2 ]" 1 338 1 53 LEU HB3 1 54 GLY H 4.000 4.000 9.000 4.418 4.085 4.463 . 0 0 "[ . 1 . 2 ]" 1 339 1 62 VAL HB 1 63 GLN H 0.000 . 2.700 2.501 2.461 2.555 . 0 0 "[ . 1 . 2 ]" 1 340 1 79 LEU HB3 1 80 VAL H 0.000 . 5.000 3.500 3.379 3.642 . 0 0 "[ . 1 . 2 ]" 1 341 1 49 GLY HA2 1 50 ILE H 0.000 . 3.200 2.231 2.221 2.245 . 0 0 "[ . 1 . 2 ]" 1 342 1 57 VAL H 1 58 LYS H 3.200 3.200 8.200 4.369 4.344 4.397 . 0 0 "[ . 1 . 2 ]" 1 343 1 55 LYS QG 1 56 GLU H 0.000 . 5.800 3.489 2.647 4.639 . 0 0 "[ . 1 . 2 ]" 1 344 1 32 VAL HA 1 33 ILE H 0.000 . 5.000 3.560 3.557 3.564 . 0 0 "[ . 1 . 2 ]" 1 345 1 17 LEU HB2 1 18 LYS H 0.000 . 4.000 4.007 3.937 4.033 0.033 13 0 "[ . 1 . 2 ]" 1 346 1 41 THR HA 1 42 VAL H 0.000 . 2.700 2.292 2.278 2.315 . 0 0 "[ . 1 . 2 ]" 1 347 1 27 PRO QD 1 28 ASP H 0.000 . 4.800 2.799 2.773 2.828 . 0 0 "[ . 1 . 2 ]" 1 348 1 65 TYR QD 1 66 PRO HA 0.000 . 4.000 2.967 2.820 3.526 . 0 0 "[ . 1 . 2 ]" 1 349 1 17 LEU HB3 1 18 LYS H 0.000 . 5.000 2.934 2.881 3.010 . 0 0 "[ . 1 . 2 ]" 1 350 1 34 ARG HA 1 35 ILE H 0.000 . 5.000 3.569 3.566 3.575 . 0 0 "[ . 1 . 2 ]" 1 351 1 27 PRO HA 1 28 ASP H 0.000 . 3.500 3.460 3.456 3.479 . 0 0 "[ . 1 . 2 ]" 1 352 1 71 VAL MG2 1 72 GLU H 0.000 . 5.800 4.091 4.045 4.129 . 0 0 "[ . 1 . 2 ]" 1 353 1 26 PRO HA 1 27 PRO QD 0.000 . 3.200 2.044 2.016 2.071 . 0 0 "[ . 1 . 2 ]" 1 354 1 74 ARG QD 1 75 THR H 0.000 . 5.800 4.930 4.253 5.148 . 0 0 "[ . 1 . 2 ]" 1 355 1 34 ARG H 1 35 ILE H 0.000 . 3.200 2.807 2.782 2.832 . 0 0 "[ . 1 . 2 ]" 1 356 1 70 ARG QB 1 71 VAL H 0.000 . 4.000 3.097 3.033 3.145 . 0 0 "[ . 1 . 2 ]" 1 357 1 44 THR HA 1 45 GLY H 0.000 . 3.200 2.231 2.223 2.239 . 0 0 "[ . 1 . 2 ]" 1 358 1 50 ILE MG 1 51 SER H 0.000 . 5.000 2.738 2.610 2.868 . 0 0 "[ . 1 . 2 ]" 1 359 1 49 GLY H 1 50 ILE H 3.200 3.200 5.000 4.516 4.500 4.523 . 0 0 "[ . 1 . 2 ]" 1 360 1 20 LEU HB2 1 21 PRO QD 0.000 . 4.800 2.258 2.213 2.316 . 0 0 "[ . 1 . 2 ]" 1 361 1 17 LEU H 1 18 LYS H 3.200 3.200 5.000 4.521 4.485 4.554 . 0 0 "[ . 1 . 2 ]" 1 362 1 46 ASP HB2 1 47 VAL H 0.000 . 4.000 4.022 4.012 4.041 0.041 22 0 "[ . 1 . 2 ]" 1 363 1 39 GLY HA3 1 40 LYS H 0.000 . 4.000 3.026 3.012 3.051 . 0 0 "[ . 1 . 2 ]" 1 364 1 63 GLN HA 1 64 ALA MB 0.000 . 5.800 3.948 3.917 3.994 . 0 0 "[ . 1 . 2 ]" 1 365 1 13 SER HB2 1 14 GLU H 0.000 . 5.000 2.865 2.618 3.129 . 0 0 "[ . 1 . 2 ]" 1 366 1 61 VAL QG 1 63 GLN H 0.000 . 4.000 2.968 2.851 3.068 . 0 0 "[ . 1 . 2 ]" 1 367 1 57 VAL MG2 1 59 PHE QE 0.000 . 6.600 2.618 2.350 2.768 . 0 0 "[ . 1 . 2 ]" 1 368 1 72 GLU QG 1 75 THR H 0.000 . 4.800 3.896 3.485 4.341 . 0 0 "[ . 1 . 2 ]" 1 369 1 25 LEU HB3 1 29 PHE HB2 0.000 . 5.000 2.425 2.241 2.759 . 0 0 "[ . 1 . 2 ]" 1 370 1 43 ARG QB 1 46 ASP H 0.000 . 5.800 4.296 4.210 4.392 . 0 0 "[ . 1 . 2 ]" 1 371 1 26 PRO QD 1 29 PHE H 0.000 . 5.800 4.141 4.091 4.218 . 0 0 "[ . 1 . 2 ]" 1 372 1 61 VAL HA 1 63 GLN H 0.000 . 4.000 4.032 3.938 4.055 0.055 9 0 "[ . 1 . 2 ]" 1 373 1 29 PHE HA 1 32 VAL HB 0.000 . 4.000 2.910 2.798 2.957 . 0 0 "[ . 1 . 2 ]" 1 374 1 52 ILE H 1 55 LYS H 0.000 . 4.000 2.889 2.740 3.072 . 0 0 "[ . 1 . 2 ]" 1 375 1 52 ILE H 1 55 LYS QB 0.000 . 5.000 3.775 3.629 4.043 . 0 0 "[ . 1 . 2 ]" 1 376 1 57 VAL HB 1 59 PHE HZ 0.000 . 5.000 4.815 4.186 5.052 0.052 6 0 "[ . 1 . 2 ]" 1 377 1 19 PRO HA 1 21 PRO HD2 0.000 . 4.000 3.707 3.648 3.751 . 0 0 "[ . 1 . 2 ]" 1 378 1 72 GLU QB 1 75 THR H 0.000 . 4.000 2.481 2.289 2.788 . 0 0 "[ . 1 . 2 ]" 1 379 1 43 ARG H 1 46 ASP H 0.000 . 5.000 4.360 4.314 4.409 . 0 0 "[ . 1 . 2 ]" 1 380 1 66 PRO QD 1 69 LEU HG 0.000 . 5.800 5.207 5.195 5.213 . 0 0 "[ . 1 . 2 ]" 1 381 1 38 GLN HA 1 40 LYS H 0.000 . 5.000 3.363 3.304 3.430 . 0 0 "[ . 1 . 2 ]" 1 382 1 57 VAL MG2 1 59 PHE HZ 0.000 . 5.800 2.887 2.548 3.033 . 0 0 "[ . 1 . 2 ]" 1 383 1 25 LEU MD2 1 29 PHE HE1 0.000 . 4.000 3.316 3.191 3.341 . 0 0 "[ . 1 . 2 ]" 1 384 1 19 PRO QB 1 21 PRO QD 0.000 . 4.800 3.192 3.076 3.353 . 0 0 "[ . 1 . 2 ]" 1 385 1 25 LEU HB3 1 29 PHE HB3 0.000 . 5.000 3.008 2.828 3.446 . 0 0 "[ . 1 . 2 ]" 1 386 1 50 ILE MG 1 52 ILE QG 0.000 . 4.300 2.010 1.928 2.403 . 0 0 "[ . 1 . 2 ]" 1 387 1 72 GLU H 1 75 THR HB 0.000 . 4.000 2.100 2.027 2.275 . 0 0 "[ . 1 . 2 ]" 1 388 1 31 ASP HA 1 34 ARG HE 0.000 . 5.000 4.063 3.472 4.419 . 0 0 "[ . 1 . 2 ]" 1 389 1 26 PRO QG 1 29 PHE H 0.000 . 5.800 5.045 4.959 5.134 . 0 0 "[ . 1 . 2 ]" 1 390 1 26 PRO QD 1 29 PHE HD1 0.000 . 5.800 2.232 2.126 2.359 . 0 0 "[ . 1 . 2 ]" 1 391 1 34 ARG QG 1 38 GLN HE22 0.000 . 4.000 4.258 3.598 4.881 0.881 21 8 "[** * * 1 * . *+-]" 1 392 1 25 LEU MD2 1 29 PHE HZ 0.000 . 4.000 3.047 2.870 3.201 . 0 0 "[ . 1 . 2 ]" 1 393 1 72 GLU H 1 75 THR MG 0.000 . 5.800 3.128 2.963 3.295 . 0 0 "[ . 1 . 2 ]" 1 394 1 32 VAL HA 1 35 ILE HB 0.000 . 4.000 2.969 2.905 3.032 . 0 0 "[ . 1 . 2 ]" 1 395 1 25 LEU HB3 1 29 PHE QD 0.000 . 5.800 3.047 2.835 3.201 . 0 0 "[ . 1 . 2 ]" 1 396 1 27 PRO HA 1 30 VAL HB 0.000 . 4.000 4.071 3.937 4.093 0.093 1 0 "[ . 1 . 2 ]" 1 397 1 29 PHE HD2 1 33 ILE HG12 0.000 . 5.000 3.731 3.549 3.812 . 0 0 "[ . 1 . 2 ]" 1 398 1 34 ARG HA 1 37 LEU H 0.000 . 5.000 3.616 3.482 3.775 . 0 0 "[ . 1 . 2 ]" 1 399 1 29 PHE HA 1 32 VAL H 0.000 . 5.000 3.526 3.487 3.600 . 0 0 "[ . 1 . 2 ]" 1 400 1 30 VAL HA 1 33 ILE H 0.000 . 5.000 3.635 3.611 3.649 . 0 0 "[ . 1 . 2 ]" 1 401 1 30 VAL HA 1 33 ILE MG 0.000 . 4.800 4.007 3.998 4.016 . 0 0 "[ . 1 . 2 ]" 1 402 1 65 TYR H 1 69 LEU MD2 0.000 . 4.800 2.145 2.059 2.247 . 0 0 "[ . 1 . 2 ]" 1 403 1 67 SER HA 1 69 LEU H 0.000 . 4.000 3.373 3.267 3.490 . 0 0 "[ . 1 . 2 ]" 1 404 1 11 ILE MG 1 13 SER H 0.000 . 4.800 4.020 3.937 4.076 . 0 0 "[ . 1 . 2 ]" 1 405 1 72 GLU H 1 75 THR H 2.700 2.700 5.000 3.139 2.920 3.276 . 0 0 "[ . 1 . 2 ]" 1 406 1 61 VAL QG 1 64 ALA H 0.000 . 5.800 3.746 3.614 3.890 . 0 0 "[ . 1 . 2 ]" 1 407 1 71 VAL HA 1 75 THR MG 0.000 . 5.800 2.789 2.644 3.018 . 0 0 "[ . 1 . 2 ]" 1 408 1 29 PHE HB2 1 33 ILE HG12 0.000 . 5.000 5.025 4.965 5.052 0.052 19 0 "[ . 1 . 2 ]" 1 409 1 34 ARG HA 1 37 LEU HB3 0.000 . 5.000 4.598 4.252 4.811 . 0 0 "[ . 1 . 2 ]" 1 410 1 15 LEU QD 1 17 LEU QD 0.000 . 6.200 1.963 1.704 3.264 . 0 0 "[ . 1 . 2 ]" 1 411 1 29 PHE HD2 1 33 ILE HG13 0.000 . 4.000 4.008 3.954 4.026 0.026 4 0 "[ . 1 . 2 ]" 1 412 1 71 VAL HA 1 75 THR HB 0.000 . 4.000 3.239 2.950 3.466 . 0 0 "[ . 1 . 2 ]" 1 413 1 52 ILE H 1 56 GLU HA 0.000 . 5.000 3.687 3.424 3.820 . 0 0 "[ . 1 . 2 ]" 1 414 1 35 ILE HA 1 38 GLN QG 0.000 . 4.000 2.662 2.314 3.217 . 0 0 "[ . 1 . 2 ]" 1 415 1 30 VAL HA 1 33 ILE QG 0.000 . 5.800 3.162 3.114 3.190 . 0 0 "[ . 1 . 2 ]" 1 416 1 75 THR HB 1 77 ILE MD 0.000 . 5.800 3.978 3.614 4.241 . 0 0 "[ . 1 . 2 ]" 1 417 1 29 PHE HE2 1 33 ILE MD 0.000 . 5.800 4.688 4.659 4.703 . 0 0 "[ . 1 . 2 ]" 1 418 1 72 GLU HG3 1 74 ARG H 0.000 . 5.000 4.261 3.759 5.064 0.064 8 0 "[ . 1 . 2 ]" 1 419 1 28 ASP HA 1 31 ASP H 0.000 . 5.000 3.851 3.785 3.884 . 0 0 "[ . 1 . 2 ]" 1 420 1 35 ILE HA 1 38 GLN QB 0.000 . 5.000 3.733 3.657 3.883 . 0 0 "[ . 1 . 2 ]" 1 421 1 66 PRO QD 1 69 LEU QD 0.000 . 5.500 2.737 2.673 2.799 . 0 0 "[ . 1 . 2 ]" 1 422 1 73 ASP HA 1 75 THR H 0.000 . 5.000 4.186 4.118 4.292 . 0 0 "[ . 1 . 2 ]" 1 423 1 34 ARG HA 1 37 LEU HB2 0.000 . 5.000 3.050 2.773 3.175 . 0 0 "[ . 1 . 2 ]" 1 424 1 33 ILE MG 1 37 LEU QD 0.000 . 5.500 1.712 1.700 1.735 . 0 0 "[ . 1 . 2 ]" 1 425 1 19 PRO QB 1 23 VAL MG1 0.000 . 4.800 2.523 2.144 2.900 . 0 0 "[ . 1 . 2 ]" 1 426 1 26 PRO HB3 1 28 ASP H 0.000 . 5.000 3.766 3.701 3.874 . 0 0 "[ . 1 . 2 ]" 1 427 1 29 PHE HA 1 31 ASP H 0.000 . 5.000 4.372 4.333 4.644 . 0 0 "[ . 1 . 2 ]" 1 428 1 26 PRO HA 1 28 ASP H 0.000 . 5.000 4.257 4.220 4.305 . 0 0 "[ . 1 . 2 ]" 1 429 1 30 VAL HA 1 33 ILE HB 0.000 . 4.000 2.765 2.753 2.774 . 0 0 "[ . 1 . 2 ]" 1 430 1 52 ILE MG 1 55 LYS H 4.800 4.800 9.800 4.679 4.561 4.817 0.239 20 0 "[ . 1 . 2 ]" 1 431 1 32 VAL HA 1 35 ILE H 0.000 . 5.000 3.550 3.449 3.613 . 0 0 "[ . 1 . 2 ]" 1 432 1 35 ILE HA 1 38 GLN H 0.000 . 5.000 3.969 3.908 4.038 . 0 0 "[ . 1 . 2 ]" 1 433 1 29 PHE HA 1 33 ILE H 0.000 . 5.000 4.110 4.065 4.131 . 0 0 "[ . 1 . 2 ]" 1 434 1 44 THR HA 1 46 ASP H 0.000 . 5.000 3.614 3.567 3.703 . 0 0 "[ . 1 . 2 ]" 1 435 1 25 LEU HB3 1 29 PHE H 4.000 4.000 9.000 4.182 4.015 4.266 . 0 0 "[ . 1 . 2 ]" 1 436 1 66 PRO QD 1 69 LEU HB2 0.000 . 5.800 3.687 3.623 3.757 . 0 0 "[ . 1 . 2 ]" 1 437 1 71 VAL MG1 1 75 THR H 0.000 . 5.800 4.759 4.614 4.836 . 0 0 "[ . 1 . 2 ]" 1 438 1 30 VAL QG 1 34 ARG H 0.000 . 6.500 4.065 3.999 4.171 . 0 0 "[ . 1 . 2 ]" 1 439 1 26 PRO HB2 1 28 ASP H 0.000 . 4.000 2.640 2.579 2.709 . 0 0 "[ . 1 . 2 ]" 1 440 1 72 GLU QB 1 74 ARG H 0.000 . 4.800 2.666 2.292 2.994 . 0 0 "[ . 1 . 2 ]" 1 441 1 27 PRO HA 1 29 PHE H 0.000 . 4.000 4.061 4.047 4.102 0.102 19 0 "[ . 1 . 2 ]" 1 442 1 26 PRO HB2 1 29 PHE H 3.200 3.200 8.200 3.656 3.516 3.788 . 0 0 "[ . 1 . 2 ]" 1 443 1 43 ARG H 1 46 ASP HB2 0.000 . 4.000 3.418 3.313 3.535 . 0 0 "[ . 1 . 2 ]" 1 444 1 53 LEU QB 1 55 LYS H 0.000 . 5.000 3.792 3.732 3.849 . 0 0 "[ . 1 . 2 ]" 1 445 1 64 ALA MB 1 67 SER HB3 0.000 . 4.000 3.296 3.051 3.353 . 0 0 "[ . 1 . 2 ]" 1 446 1 29 PHE HB3 1 33 ILE HG12 0.000 . 5.000 3.459 3.381 3.530 . 0 0 "[ . 1 . 2 ]" 1 447 1 66 PRO QD 1 69 LEU HB3 0.000 . 4.800 3.138 3.099 3.196 . 0 0 "[ . 1 . 2 ]" 1 448 1 53 LEU HA 1 55 LYS H 4.000 4.000 9.000 4.654 4.623 4.679 . 0 0 "[ . 1 . 2 ]" 1 449 1 30 VAL HA 1 33 ILE MD 0.000 . 5.800 4.818 4.778 4.841 . 0 0 "[ . 1 . 2 ]" 1 450 1 64 ALA MB 1 67 SER HB2 0.000 . 4.800 3.926 3.845 4.002 . 0 0 "[ . 1 . 2 ]" 1 451 1 33 ILE HA 1 36 LYS QB 0.000 . 4.000 2.897 2.731 3.796 . 0 0 "[ . 1 . 2 ]" 1 452 1 31 ASP HA 1 34 ARG H 0.000 . 5.000 3.664 3.629 3.709 . 0 0 "[ . 1 . 2 ]" 1 453 1 33 ILE HA 1 36 LYS H 0.000 . 5.000 3.604 3.513 3.708 . 0 0 "[ . 1 . 2 ]" 1 454 1 19 PRO QG 1 23 VAL H 0.000 . 5.800 3.394 3.067 3.856 . 0 0 "[ . 1 . 2 ]" 1 455 1 43 ARG H 1 46 ASP HB3 0.000 . 5.000 4.334 4.227 4.444 . 0 0 "[ . 1 . 2 ]" 1 456 1 29 PHE HD2 1 33 ILE MD 0.000 . 4.000 3.329 3.283 3.345 . 0 0 "[ . 1 . 2 ]" 1 457 1 72 GLU HG2 1 74 ARG H 0.000 . 5.000 3.264 2.048 5.064 0.064 21 0 "[ . 1 . 2 ]" 1 458 1 57 VAL MG2 1 59 PHE HD1 0.000 . 4.000 4.154 3.361 4.503 0.503 6 1 "[ .+ 1 . 2 ]" 1 459 1 64 ALA H 1 67 SER HB3 0.000 . 5.000 4.956 4.867 5.014 0.014 6 0 "[ . 1 . 2 ]" 1 460 1 35 ILE HA 1 38 GLN QE 4.000 4.000 9.000 2.096 2.022 2.253 1.978 4 22 [***+*************-****] 1 461 1 32 VAL HA 1 36 LYS H 0.000 . 5.000 4.357 4.266 4.446 . 0 0 "[ . 1 . 2 ]" 1 462 1 13 SER HB3 1 69 LEU QD 0.000 . 5.500 3.834 3.607 4.083 . 0 0 "[ . 1 . 2 ]" 1 463 1 38 GLN HB3 1 73 ASP H 4.000 4.000 9.000 4.572 4.350 4.936 . 0 0 "[ . 1 . 2 ]" 1 464 1 13 SER HA 1 66 PRO QD 0.000 . 4.000 3.040 2.880 3.251 . 0 0 "[ . 1 . 2 ]" 1 465 1 40 LYS H 1 71 VAL H 0.000 . 5.000 4.011 3.887 4.061 . 0 0 "[ . 1 . 2 ]" 1 466 1 20 LEU QD 1 60 LYS HB3 0.000 . 4.700 3.318 3.184 3.488 . 0 0 "[ . 1 . 2 ]" 1 467 1 17 LEU HA 1 62 VAL H 0.000 . 4.000 2.507 2.398 2.651 . 0 0 "[ . 1 . 2 ]" 1 468 1 17 LEU HB2 1 59 PHE QD 0.000 . 5.800 4.764 4.408 5.206 . 0 0 "[ . 1 . 2 ]" 1 469 1 39 GLY HA2 1 70 ARG QG 0.000 . 4.800 4.028 3.972 4.060 . 0 0 "[ . 1 . 2 ]" 1 470 1 17 LEU HA 1 63 GLN H 0.000 . 5.000 4.457 4.350 4.562 . 0 0 "[ . 1 . 2 ]" 1 471 1 46 ASP HB3 1 61 VAL QG 0.000 . 5.800 3.190 3.048 3.285 . 0 0 "[ . 1 . 2 ]" 1 472 1 30 VAL QG 1 77 ILE HB 0.000 . 4.200 2.500 2.174 2.660 . 0 0 "[ . 1 . 2 ]" 1 473 1 34 ARG HA 1 77 ILE MD 0.000 . 5.800 2.712 2.479 3.018 . 0 0 "[ . 1 . 2 ]" 1 474 1 48 ILE HG13 1 59 PHE H 4.000 4.000 9.000 3.978 3.965 3.992 0.035 14 0 "[ . 1 . 2 ]" 1 475 1 48 ILE HG12 1 59 PHE H 4.000 4.000 9.000 5.566 5.534 5.597 . 0 0 "[ . 1 . 2 ]" 1 476 1 25 LEU MD1 1 59 PHE HE2 0.000 . 5.800 4.337 3.756 4.751 . 0 0 "[ . 1 . 2 ]" 1 477 1 13 SER HB2 1 69 LEU QD 0.000 . 4.700 2.784 2.482 3.118 . 0 0 "[ . 1 . 2 ]" 1 478 1 38 GLN HE21 1 73 ASP H 4.000 4.000 9.000 4.515 4.186 4.837 . 0 0 "[ . 1 . 2 ]" 1 479 1 39 GLY H 1 71 VAL MG1 0.000 . 5.000 4.178 4.168 4.190 . 0 0 "[ . 1 . 2 ]" 1 480 1 42 VAL H 1 69 LEU QD 0.000 . 4.700 3.359 3.260 3.456 . 0 0 "[ . 1 . 2 ]" 1 481 1 14 GLU H 1 65 TYR QD 0.000 . 5.800 5.058 4.847 5.175 . 0 0 "[ . 1 . 2 ]" 1 482 1 14 GLU HA 1 76 LYS H 0.000 . 3.200 2.886 2.780 3.004 . 0 0 "[ . 1 . 2 ]" 1 483 1 41 THR MG 1 68 PRO HB2 0.000 . 3.500 2.222 2.080 2.359 . 0 0 "[ . 1 . 2 ]" 1 484 1 39 GLY HA2 1 70 ARG HB3 4.000 4.000 9.000 3.994 3.980 4.067 0.020 15 0 "[ . 1 . 2 ]" 1 485 1 39 GLY H 1 71 VAL HB 0.000 . 4.000 3.309 3.233 3.366 . 0 0 "[ . 1 . 2 ]" 1 486 1 13 SER HB3 1 66 PRO QD 0.000 . 5.800 3.169 3.020 3.355 . 0 0 "[ . 1 . 2 ]" 1 487 1 50 ILE QG 1 57 VAL H 0.000 . 6.500 5.637 5.585 5.766 . 0 0 "[ . 1 . 2 ]" 1 488 1 44 THR MG 1 63 GLN HA 0.000 . 3.200 2.104 1.989 2.215 . 0 0 "[ . 1 . 2 ]" 1 489 1 51 SER HA 1 56 GLU HB2 4.000 4.000 9.000 4.686 4.212 4.900 . 0 0 "[ . 1 . 2 ]" 1 490 1 14 GLU QB 1 65 TYR HB3 0.000 . 4.000 3.517 3.411 3.579 . 0 0 "[ . 1 . 2 ]" 1 491 1 14 GLU H 1 69 LEU QD 0.000 . 5.000 2.919 2.772 3.061 . 0 0 "[ . 1 . 2 ]" 1 492 1 46 ASP H 1 61 VAL H 0.000 . 5.000 4.309 4.235 4.437 . 0 0 "[ . 1 . 2 ]" 1 493 1 17 LEU HB3 1 61 VAL HA 4.000 4.000 9.000 4.369 4.206 4.434 . 0 0 "[ . 1 . 2 ]" 1 494 1 34 ARG H 1 77 ILE MD 0.000 . 5.800 3.734 3.573 4.034 . 0 0 "[ . 1 . 2 ]" 1 495 1 17 LEU HB2 1 62 VAL H 4.000 4.000 9.000 5.460 5.337 5.621 . 0 0 "[ . 1 . 2 ]" 1 496 1 13 SER HB2 1 66 PRO QD 0.000 . 5.800 3.319 2.865 3.789 . 0 0 "[ . 1 . 2 ]" 1 497 1 39 GLY QA 1 71 VAL H 0.000 . 5.800 4.684 4.628 4.732 . 0 0 "[ . 1 . 2 ]" 1 498 1 17 LEU HB3 1 59 PHE QB 0.000 . 5.000 3.608 3.074 3.969 . 0 0 "[ . 1 . 2 ]" 1 499 1 17 LEU HA 1 61 VAL HA 0.000 . 3.200 2.843 2.712 2.995 . 0 0 "[ . 1 . 2 ]" 1 500 1 29 PHE HB2 1 79 LEU MD1 0.000 . 4.800 3.945 3.445 4.018 . 0 0 "[ . 1 . 2 ]" 1 501 1 45 GLY HA2 1 60 LYS QE 0.000 . 4.000 2.941 2.875 3.091 . 0 0 "[ . 1 . 2 ]" 1 502 1 44 THR HA 1 64 ALA H 0.000 . 5.000 3.629 3.486 3.791 . 0 0 "[ . 1 . 2 ]" 1 503 1 14 GLU H 1 75 THR MG 0.000 . 5.800 3.290 3.156 3.464 . 0 0 "[ . 1 . 2 ]" 1 504 1 46 ASP H 1 61 VAL QG 0.000 . 4.800 3.252 3.066 3.316 . 0 0 "[ . 1 . 2 ]" 1 505 1 41 THR MG 1 68 PRO HB3 0.000 . 4.000 3.188 3.030 3.327 . 0 0 "[ . 1 . 2 ]" 1 506 1 13 SER HB2 1 75 THR MG 0.000 . 4.000 2.510 2.124 3.034 . 0 0 "[ . 1 . 2 ]" 1 507 1 41 THR HA 1 70 ARG HA 0.000 . 2.700 2.054 2.042 2.160 . 0 0 "[ . 1 . 2 ]" 1 508 1 14 GLU HA 1 76 LYS QB 0.000 . 4.000 3.192 3.041 3.364 . 0 0 "[ . 1 . 2 ]" 1 509 1 16 LYS HA 1 78 THR H 0.000 . 4.000 3.003 2.812 3.348 . 0 0 "[ . 1 . 2 ]" 1 510 1 19 PRO QB 1 59 PHE QE 0.000 . 5.600 2.608 2.036 3.292 . 0 0 "[ . 1 . 2 ]" 1 511 1 21 PRO QG 1 57 VAL MG2 0.000 . 4.800 2.313 2.073 2.544 . 0 0 "[ . 1 . 2 ]" 1 512 1 51 SER QB 1 56 GLU QG 0.000 . 5.800 4.510 4.014 4.625 . 0 0 "[ . 1 . 2 ]" 1 513 1 39 GLY H 1 72 GLU HA 0.000 . 5.000 3.869 3.808 3.969 . 0 0 "[ . 1 . 2 ]" 1 514 1 17 LEU MD1 1 59 PHE QD 0.000 . 5.800 4.314 4.306 4.329 . 0 0 "[ . 1 . 2 ]" 1 515 1 47 VAL MG1 1 59 PHE H 0.000 . 5.000 3.848 3.677 4.002 . 0 0 "[ . 1 . 2 ]" 1 516 1 50 ILE HB 1 59 PHE QD 0.000 . 5.800 3.011 2.730 3.402 . 0 0 "[ . 1 . 2 ]" 1 517 1 50 ILE H 1 57 VAL H 0.000 . 4.000 3.411 3.307 3.565 . 0 0 "[ . 1 . 2 ]" 1 518 1 18 LYS HA 1 80 VAL HB 0.000 . 5.000 3.244 2.907 3.645 . 0 0 "[ . 1 . 2 ]" 1 519 1 21 PRO HD3 1 57 VAL HA 0.000 . 4.000 3.945 3.810 4.016 0.016 18 0 "[ . 1 . 2 ]" 1 520 1 34 ARG QG 1 73 ASP HA 0.000 . 4.800 3.249 2.791 3.766 . 0 0 "[ . 1 . 2 ]" 1 521 1 50 ILE MD 1 59 PHE QD 0.000 . 5.800 2.167 1.950 2.264 . 0 0 "[ . 1 . 2 ]" 1 522 1 44 THR HB 1 64 ALA H 0.000 . 5.000 4.126 3.891 4.867 . 0 0 "[ . 1 . 2 ]" 1 523 1 15 LEU HA 1 65 TYR H 0.000 . 4.000 3.408 3.304 3.636 . 0 0 "[ . 1 . 2 ]" 1 524 1 40 LYS H 1 71 VAL HB 0.000 . 4.000 3.794 3.549 3.890 . 0 0 "[ . 1 . 2 ]" 1 525 1 50 ILE HB 1 59 PHE HZ 0.000 . 5.000 4.902 4.490 5.041 0.041 19 0 "[ . 1 . 2 ]" 1 526 1 50 ILE HB 1 57 VAL H 0.000 . 5.000 4.322 4.262 4.450 . 0 0 "[ . 1 . 2 ]" 1 527 1 29 PHE HE2 1 52 ILE MD 0.000 . 4.000 2.885 2.513 3.348 . 0 0 "[ . 1 . 2 ]" 1 528 1 34 ARG HA 1 71 VAL MG1 0.000 . 5.800 3.094 2.923 3.227 . 0 0 "[ . 1 . 2 ]" 1 529 1 14 GLU QB 1 65 TYR H 0.000 . 5.800 4.215 4.043 4.388 . 0 0 "[ . 1 . 2 ]" 1 530 1 21 PRO HD2 1 58 LYS H 0.000 . 5.000 3.191 2.931 3.408 . 0 0 "[ . 1 . 2 ]" 1 531 1 44 THR MG 1 64 ALA H 0.000 . 4.000 3.316 3.197 3.354 . 0 0 "[ . 1 . 2 ]" 1 532 1 42 VAL MG2 1 69 LEU H 0.000 . 5.800 2.998 2.772 3.188 . 0 0 "[ . 1 . 2 ]" 1 533 1 49 GLY HA2 1 58 LYS HA 0.000 . 2.700 2.486 2.340 2.578 . 0 0 "[ . 1 . 2 ]" 1 534 1 18 LYS H 1 61 VAL HA 0.000 . 5.000 3.999 3.858 4.170 . 0 0 "[ . 1 . 2 ]" 1 535 1 14 GLU H 1 65 TYR HB2 0.000 . 4.000 3.267 3.045 3.401 . 0 0 "[ . 1 . 2 ]" 1 536 1 44 THR H 1 61 VAL QG 0.000 . 5.800 3.793 3.647 4.073 . 0 0 "[ . 1 . 2 ]" 1 537 1 44 THR HA 1 64 ALA MB 0.000 . 5.800 3.688 3.424 3.861 . 0 0 "[ . 1 . 2 ]" 1 538 1 16 LYS QD 1 63 GLN H 0.000 . 5.800 5.043 4.778 5.231 . 0 0 "[ . 1 . 2 ]" 1 539 1 48 ILE MD 1 59 PHE H 4.000 4.000 9.000 3.306 3.284 3.328 0.716 6 22 [*****+************-***] 1 540 1 16 LYS HB2 1 63 GLN H 0.000 . 3.200 3.058 2.663 3.206 0.006 3 0 "[ . 1 . 2 ]" 1 541 1 43 ARG QG 1 68 PRO HB3 0.000 . 4.000 2.482 1.961 3.143 . 0 0 "[ . 1 . 2 ]" 1 542 1 19 PRO HA 1 59 PHE HA 0.000 . 3.200 2.751 2.612 2.982 . 0 0 "[ . 1 . 2 ]" 1 543 1 18 LYS H 1 62 VAL MG2 0.000 . 5.000 2.410 2.190 2.571 . 0 0 "[ . 1 . 2 ]" 1 544 1 38 GLN HA 1 71 VAL MG1 0.000 . 4.000 2.519 2.431 2.581 . 0 0 "[ . 1 . 2 ]" 1 545 1 45 GLY HA3 1 60 LYS QE 0.000 . 5.000 4.473 4.460 4.495 . 0 0 "[ . 1 . 2 ]" 1 546 1 17 LEU HB2 1 61 VAL HA 4.000 4.000 9.000 5.367 5.288 5.453 . 0 0 "[ . 1 . 2 ]" 1 547 1 38 GLN HA 1 71 VAL HB 0.000 . 3.200 2.042 2.036 2.060 . 0 0 "[ . 1 . 2 ]" 1 548 1 34 ARG HE 1 73 ASP HA 0.000 . 5.000 2.977 2.350 3.767 . 0 0 "[ . 1 . 2 ]" 1 549 1 42 VAL H 1 69 LEU HG 0.000 . 5.000 3.686 3.592 3.786 . 0 0 "[ . 1 . 2 ]" 1 550 1 25 LEU MD1 1 59 PHE HZ 0.000 . 5.800 2.497 2.193 3.124 . 0 0 "[ . 1 . 2 ]" 1 551 1 16 LYS HB3 1 78 THR HB 0.000 . 5.000 4.811 4.484 5.014 0.014 13 0 "[ . 1 . 2 ]" 1 552 1 17 LEU HB2 1 79 LEU HA 0.000 . 5.000 3.407 3.091 3.605 . 0 0 "[ . 1 . 2 ]" 1 553 1 18 LYS H 1 59 PHE QB 0.000 . 5.000 4.562 4.409 4.766 . 0 0 "[ . 1 . 2 ]" 1 554 1 42 VAL H 1 70 ARG HA 0.000 . 4.000 3.536 3.470 3.604 . 0 0 "[ . 1 . 2 ]" 1 555 1 15 LEU HA 1 63 GLN H 0.000 . 5.000 5.035 5.004 5.070 0.070 11 0 "[ . 1 . 2 ]" 1 556 1 18 LYS H 1 62 VAL H 0.000 . 5.000 3.771 3.713 3.827 . 0 0 "[ . 1 . 2 ]" 1 557 1 44 THR MG 1 63 GLN H 0.000 . 5.800 3.686 3.556 4.148 . 0 0 "[ . 1 . 2 ]" 1 558 1 14 GLU QB 1 65 TYR HB2 0.000 . 4.000 2.829 2.628 2.948 . 0 0 "[ . 1 . 2 ]" 1 559 1 41 THR HA 1 70 ARG QG 0.000 . 5.800 2.737 2.642 2.892 . 0 0 "[ . 1 . 2 ]" 1 560 1 18 LYS HB3 1 62 VAL MG2 0.000 . 4.000 2.560 2.478 2.674 . 0 0 "[ . 1 . 2 ]" 1 561 1 14 GLU H 1 65 TYR H 0.000 . 4.000 3.501 3.263 3.622 . 0 0 "[ . 1 . 2 ]" 1 562 1 38 GLN H 1 71 VAL MG1 0.000 . 5.000 3.502 3.308 3.651 . 0 0 "[ . 1 . 2 ]" 1 563 1 50 ILE MD 1 59 PHE HZ 0.000 . 5.800 4.133 3.994 4.313 . 0 0 "[ . 1 . 2 ]" 1 564 1 49 GLY HA3 1 58 LYS HA 0.000 . 5.000 3.809 3.602 3.947 . 0 0 "[ . 1 . 2 ]" 1 565 1 39 GLY H 1 71 VAL H 3.200 3.200 5.000 3.409 3.364 3.476 . 0 0 "[ . 1 . 2 ]" 1 566 1 50 ILE H 1 58 LYS HA 0.000 . 4.000 3.654 3.505 3.777 . 0 0 "[ . 1 . 2 ]" 1 567 1 48 ILE MD 1 59 PHE QB 0.000 . 5.800 2.150 2.072 2.233 . 0 0 "[ . 1 . 2 ]" 1 568 1 44 THR H 1 64 ALA MB 0.000 . 4.000 2.632 2.356 3.185 . 0 0 "[ . 1 . 2 ]" 1 569 1 17 LEU HB3 1 60 LYS H 0.000 . 5.000 4.838 4.400 5.010 0.010 21 0 "[ . 1 . 2 ]" 1 570 1 29 PHE HB3 1 79 LEU MD1 0.000 . 4.800 3.896 3.528 4.004 . 0 0 "[ . 1 . 2 ]" 1 571 1 44 THR HA 1 61 VAL HB 0.000 . 4.000 3.149 2.973 3.460 . 0 0 "[ . 1 . 2 ]" 1 572 1 17 LEU HA 1 62 VAL MG2 0.000 . 4.000 2.527 2.272 2.720 . 0 0 "[ . 1 . 2 ]" 1 573 1 16 LYS HA 1 78 THR HB 0.000 . 3.200 3.195 3.002 3.222 0.022 6 0 "[ . 1 . 2 ]" 1 574 1 44 THR H 1 67 SER QB 0.000 . 4.000 3.550 3.435 3.582 . 0 0 "[ . 1 . 2 ]" 1 575 1 19 PRO QD 1 59 PHE QD 0.000 . 5.800 4.043 3.703 4.606 . 0 0 "[ . 1 . 2 ]" 1 576 1 29 PHE HE2 1 53 LEU QD 0.000 . 4.800 3.456 2.896 3.578 . 0 0 "[ . 1 . 2 ]" 1 577 1 18 LYS QB 1 60 LYS H 0.000 . 5.000 3.910 3.779 4.073 . 0 0 "[ . 1 . 2 ]" 1 578 1 51 SER HA 1 56 GLU HA 0.000 . 3.200 2.696 2.297 2.890 . 0 0 "[ . 1 . 2 ]" 1 579 1 45 GLY H 1 61 VAL HB 0.000 . 3.200 2.585 2.446 2.679 . 0 0 "[ . 1 . 2 ]" 1 580 1 16 LYS QG 1 78 THR HB 0.000 . 4.000 2.689 2.151 3.570 . 0 0 "[ . 1 . 2 ]" 1 581 1 17 LEU QD 1 59 PHE QB 0.000 . 4.700 2.993 2.537 3.274 . 0 0 "[ . 1 . 2 ]" 1 582 1 18 LYS HA 1 80 VAL H 0.000 . 5.000 3.117 2.936 3.309 . 0 0 "[ . 1 . 2 ]" 1 583 1 14 GLU H 1 65 TYR HB3 0.000 . 5.000 3.696 3.535 3.896 . 0 0 "[ . 1 . 2 ]" 1 584 1 15 LEU H 1 77 ILE MG 0.000 . 5.000 4.012 3.917 4.182 . 0 0 "[ . 1 . 2 ]" 1 585 1 38 GLN HB3 1 72 GLU HA 4.000 4.000 9.000 3.584 3.436 3.784 0.564 22 4 "[* . 1 . -*+]" 1 586 1 16 LYS HB3 1 63 GLN H 0.000 . 5.000 3.770 3.432 3.990 . 0 0 "[ . 1 . 2 ]" 1 587 1 38 GLN HE22 1 73 ASP H 4.000 4.000 9.000 4.227 3.984 4.642 0.016 4 0 "[ . 1 . 2 ]" 1 588 1 48 ILE H 1 60 LYS HA 0.000 . 4.000 3.841 3.776 4.011 0.011 7 0 "[ . 1 . 2 ]" 1 589 1 49 GLY HA2 1 57 VAL H 0.000 . 5.500 4.914 4.770 5.088 . 0 0 "[ . 1 . 2 ]" 1 590 1 45 GLY HA3 1 61 VAL HB 0.000 . 5.000 4.980 4.836 5.017 0.017 8 0 "[ . 1 . 2 ]" 1 591 1 47 VAL HA 1 59 PHE H 0.000 . 5.000 5.024 5.005 5.056 0.056 5 0 "[ . 1 . 2 ]" 1 592 1 16 LYS H 1 64 ALA HA 0.000 . 4.000 3.680 3.552 3.779 . 0 0 "[ . 1 . 2 ]" 1 593 1 33 ILE HA 1 50 ILE MD 0.000 . 5.800 4.371 3.814 4.832 . 0 0 "[ . 1 . 2 ]" 1 594 1 20 LEU MD2 1 60 LYS H 0.000 . 5.000 4.156 4.050 4.173 . 0 0 "[ . 1 . 2 ]" 1 595 1 15 LEU H 1 75 THR MG 0.000 . 4.800 3.260 3.070 3.460 . 0 0 "[ . 1 . 2 ]" 1 596 1 13 SER H 1 66 PRO QD 0.000 . 5.800 5.171 5.091 5.204 . 0 0 "[ . 1 . 2 ]" 1 597 1 17 LEU HB3 1 59 PHE QD 0.000 . 4.800 3.543 3.170 4.242 . 0 0 "[ . 1 . 2 ]" 1 598 1 41 THR HA 1 71 VAL H 0.000 . 3.500 3.503 3.402 3.523 0.023 8 0 "[ . 1 . 2 ]" 1 599 1 42 VAL QG 1 65 TYR H 0.000 . 5.500 4.800 4.787 4.821 . 0 0 "[ . 1 . 2 ]" 1 600 1 41 THR MG 1 69 LEU H 0.000 . 5.800 3.033 2.904 3.213 . 0 0 "[ . 1 . 2 ]" 1 601 1 42 VAL H 1 69 LEU H 0.000 . 4.000 2.978 2.876 3.094 . 0 0 "[ . 1 . 2 ]" 1 602 1 50 ILE HG13 1 59 PHE QD 0.000 . 5.800 3.014 2.896 3.167 . 0 0 "[ . 1 . 2 ]" 1 603 1 48 ILE H 1 59 PHE QB 0.000 . 5.000 3.659 3.575 3.730 . 0 0 "[ . 1 . 2 ]" 1 604 1 34 ARG HA 1 77 ILE MG 0.000 . 5.800 4.768 4.657 4.846 . 0 0 "[ . 1 . 2 ]" 1 605 1 29 PHE HD2 1 52 ILE MD 0.000 . 4.800 3.121 2.581 3.846 . 0 0 "[ . 1 . 2 ]" 1 606 1 14 GLU HA 1 75 THR MG 0.000 . 4.800 2.527 2.171 2.733 . 0 0 "[ . 1 . 2 ]" 1 607 1 15 LEU H 1 77 ILE MD 0.000 . 5.800 4.873 4.835 4.886 . 0 0 "[ . 1 . 2 ]" 1 608 1 20 LEU H 1 59 PHE HA 0.000 . 4.000 3.272 3.140 3.389 . 0 0 "[ . 1 . 2 ]" 1 609 1 20 LEU MD1 1 58 LYS HB3 0.000 . 4.300 1.983 1.883 2.168 . 0 0 "[ . 1 . 2 ]" 1 610 1 38 GLN QG 1 72 GLU HA 0.000 . 5.800 4.774 4.607 4.963 . 0 0 "[ . 1 . 2 ]" 1 611 1 15 LEU H 1 76 LYS H 0.000 . 5.000 4.564 4.466 4.646 . 0 0 "[ . 1 . 2 ]" 1 612 1 51 SER HA 1 56 GLU QG 4.000 4.000 9.000 4.127 3.772 4.432 0.228 14 0 "[ . 1 . 2 ]" 1 613 1 20 LEU HG 1 59 PHE HA 0.000 . 5.000 3.603 3.486 3.682 . 0 0 "[ . 1 . 2 ]" 1 614 1 45 GLY H 1 61 VAL QG 0.000 . 4.800 3.074 2.956 3.147 . 0 0 "[ . 1 . 2 ]" 1 615 1 40 LYS H 1 71 VAL MG2 0.000 . 5.000 4.510 4.169 4.644 . 0 0 "[ . 1 . 2 ]" 1 616 1 16 LYS H 1 63 GLN H 0.000 . 4.000 3.343 3.267 3.387 . 0 0 "[ . 1 . 2 ]" 1 617 1 13 SER H 1 76 LYS QE 0.000 . 5.800 5.161 4.954 5.185 . 0 0 "[ . 1 . 2 ]" 1 618 1 20 LEU QD 1 60 LYS HB2 0.000 . 4.700 2.410 2.137 2.594 . 0 0 "[ . 1 . 2 ]" 1 619 1 49 GLY HA2 1 59 PHE H 0.000 . 4.000 3.197 3.138 3.244 . 0 0 "[ . 1 . 2 ]" 1 620 1 21 PRO QD 1 57 VAL MG2 0.000 . 4.800 2.612 2.395 2.764 . 0 0 "[ . 1 . 2 ]" 1 621 1 42 VAL HB 1 61 VAL QG 4.000 4.000 9.000 2.770 2.631 2.900 1.369 9 22 [********+**********-**] 1 622 1 19 PRO QD 1 79 LEU QD 0.000 . 6.300 2.968 2.468 3.377 . 0 0 "[ . 1 . 2 ]" 1 623 1 19 PRO QB 1 59 PHE QD 0.000 . 5.800 3.434 2.823 3.941 . 0 0 "[ . 1 . 2 ]" 1 624 1 16 LYS QG 1 63 GLN H 0.000 . 5.800 4.944 4.487 5.125 . 0 0 "[ . 1 . 2 ]" 1 625 1 38 GLN HA 1 72 GLU HA 0.000 . 5.000 3.988 3.829 4.112 . 0 0 "[ . 1 . 2 ]" 1 626 1 46 ASP H 1 61 VAL HB 0.000 . 3.200 2.799 2.634 2.861 . 0 0 "[ . 1 . 2 ]" 1 627 1 38 GLN QG 1 71 VAL MG1 0.000 . 6.600 4.319 4.198 4.466 . 0 0 "[ . 1 . 2 ]" 1 628 1 15 LEU QB 1 78 THR H 0.000 . 5.800 4.250 3.942 4.450 . 0 0 "[ . 1 . 2 ]" 1 629 1 48 ILE MD 1 59 PHE HA 0.000 . 5.800 4.850 4.829 4.869 . 0 0 "[ . 1 . 2 ]" 1 630 1 50 ILE MG 1 57 VAL H 0.000 . 5.800 4.848 4.837 4.871 . 0 0 "[ . 1 . 2 ]" 1 631 1 45 GLY H 1 61 VAL H 0.000 . 5.000 4.002 3.872 4.123 . 0 0 "[ . 1 . 2 ]" 1 632 1 34 ARG QD 1 73 ASP HA 0.000 . 4.800 2.671 2.272 3.146 . 0 0 "[ . 1 . 2 ]" 1 633 1 51 SER HA 1 57 VAL H 0.000 . 5.000 3.552 3.317 3.687 . 0 0 "[ . 1 . 2 ]" 1 634 1 50 ILE MD 1 59 PHE QB 4.000 4.000 9.000 3.282 3.175 3.609 0.825 21 18 "[** *.*-****** *** **+*]" 1 635 1 39 GLY HA3 1 70 ARG QG 0.000 . 5.800 5.220 5.208 5.237 . 0 0 "[ . 1 . 2 ]" 1 636 1 15 LEU H 1 77 ILE HA 0.000 . 3.200 2.647 2.574 2.768 . 0 0 "[ . 1 . 2 ]" 1 637 1 18 LYS HB2 1 80 VAL HB 0.000 . 3.200 3.081 2.804 3.215 0.015 6 0 "[ . 1 . 2 ]" 1 638 1 44 THR HA 1 63 GLN HA 0.000 . 4.000 3.480 3.236 3.742 . 0 0 "[ . 1 . 2 ]" 1 639 1 20 LEU MD1 1 58 LYS HB2 0.000 . 4.000 2.334 2.023 2.690 . 0 0 "[ . 1 . 2 ]" 1 640 1 50 ILE HG12 1 59 PHE QD 0.000 . 5.800 4.353 4.204 4.440 . 0 0 "[ . 1 . 2 ]" 1 641 1 30 VAL HA 1 77 ILE MD 0.000 . 5.800 4.823 4.688 4.848 . 0 0 "[ . 1 . 2 ]" 1 642 1 18 LYS HB2 1 62 VAL MG2 0.000 . 3.500 1.924 1.904 1.948 . 0 0 "[ . 1 . 2 ]" 1 643 1 19 PRO HA 1 60 LYS H 0.000 . 5.000 3.781 3.659 3.910 . 0 0 "[ . 1 . 2 ]" 1 644 1 17 LEU H 1 79 LEU HA 0.000 . 3.500 3.364 3.228 3.529 0.029 13 0 "[ . 1 . 2 ]" 1 645 1 20 LEU H 1 60 LYS H 4.000 4.000 9.000 4.154 4.033 4.271 . 0 0 "[ . 1 . 2 ]" 1 646 1 38 GLN HE21 1 71 VAL MG1 0.000 . 4.800 4.648 4.089 5.144 0.344 20 0 "[ . 1 . 2 ]" 1 647 1 50 ILE H 1 56 GLU QG 0.000 . 5.000 4.272 3.998 4.417 . 0 0 "[ . 1 . 2 ]" 1 648 1 21 PRO HD3 1 58 LYS H 0.000 . 4.000 2.866 2.592 3.143 . 0 0 "[ . 1 . 2 ]" 1 649 1 19 PRO HA 1 59 PHE QD 0.000 . 4.000 2.681 2.047 3.030 . 0 0 "[ . 1 . 2 ]" 1 650 1 52 ILE H 1 57 VAL MG1 0.000 . 4.800 3.520 3.031 3.770 . 0 0 "[ . 1 . 2 ]" 1 651 1 46 ASP HB2 1 61 VAL QG 0.000 . 4.800 2.179 1.992 2.298 . 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 33 _Distance_constraint_stats_list.Viol_count 43 _Distance_constraint_stats_list.Viol_total 797.773 _Distance_constraint_stats_list.Viol_max 1.668 _Distance_constraint_stats_list.Viol_rms 0.2814 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0499 _Distance_constraint_stats_list.Viol_average_violations_only 0.8433 _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 13 SER 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 14 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 15 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 16 LYS 0.039 0.026 20 0 "[ . 1 . 2 ]" 1 17 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 18 LYS 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 20 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 28 ASP 0.144 0.016 22 0 "[ . 1 . 2 ]" 1 29 PHE 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 30 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 31 ASP 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 32 VAL 0.144 0.016 22 0 "[ . 1 . 2 ]" 1 33 ILE 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 34 ARG 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 35 ILE 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 36 LYS 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 37 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 38 GLN 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 40 LYS 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 42 VAL 0.001 0.001 13 0 "[ . 1 . 2 ]" 1 43 ARG 36.079 1.668 14 22 [*************+*******-] 1 45 GLY 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 46 ASP 36.079 1.668 14 22 [*************+*******-] 1 48 ILE 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 50 ILE 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 52 ILE 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 55 LYS 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 57 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 58 LYS 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 59 PHE 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 60 LYS 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 61 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 62 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 63 GLN 0.039 0.026 20 0 "[ . 1 . 2 ]" 1 65 TYR 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 69 LEU 0.001 0.001 13 0 "[ . 1 . 2 ]" 1 71 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 76 LYS 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 78 THR 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 80 VAL 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 17 LEU O 1 80 VAL H 2.200 . 2.600 2.158 2.092 2.216 . 0 0 "[ . 1 . 2 ]" 2 2 1 17 LEU H 1 78 THR O 2.200 . 2.600 2.280 2.241 2.327 . 0 0 "[ . 1 . 2 ]" 2 3 1 15 LEU O 1 78 THR H 2.200 . 2.600 2.294 2.214 2.353 . 0 0 "[ . 1 . 2 ]" 2 4 1 15 LEU H 1 76 LYS O 2.200 . 2.600 2.129 2.015 2.263 . 0 0 "[ . 1 . 2 ]" 2 5 1 13 SER O 1 76 LYS H 2.200 . 2.600 2.275 2.236 2.366 . 0 0 "[ . 1 . 2 ]" 2 6 1 14 GLU H 1 65 TYR O 2.200 . 2.600 2.120 2.052 2.184 . 0 0 "[ . 1 . 2 ]" 2 7 1 14 GLU O 1 65 TYR H 2.200 . 2.600 2.243 2.184 2.280 . 0 0 "[ . 1 . 2 ]" 2 8 1 16 LYS H 1 63 GLN O 2.200 . 2.600 2.205 2.104 2.280 . 0 0 "[ . 1 . 2 ]" 2 9 1 16 LYS O 1 63 GLN H 2.200 . 2.600 2.540 2.445 2.626 0.026 20 0 "[ . 1 . 2 ]" 2 10 1 16 LYS O 1 62 VAL H 2.200 . 2.600 2.100 1.984 2.207 . 0 0 "[ . 1 . 2 ]" 2 11 1 18 LYS H 1 60 LYS O 2.200 . 2.600 2.222 2.173 2.281 . 0 0 "[ . 1 . 2 ]" 2 12 1 18 LYS O 1 60 LYS H 2.200 . 2.600 2.251 2.187 2.285 . 0 0 "[ . 1 . 2 ]" 2 13 1 34 ARG O 1 38 GLN H 2.200 . 2.600 2.092 2.024 2.192 . 0 0 "[ . 1 . 2 ]" 2 14 1 33 ILE O 1 37 LEU H 2.200 . 2.600 2.145 2.090 2.241 . 0 0 "[ . 1 . 2 ]" 2 15 1 32 VAL O 1 36 LYS H 2.200 . 2.600 2.265 2.217 2.303 . 0 0 "[ . 1 . 2 ]" 2 16 1 31 ASP O 1 35 ILE H 2.200 . 2.600 2.278 2.250 2.324 . 0 0 "[ . 1 . 2 ]" 2 17 1 30 VAL O 1 34 ARG H 2.200 . 2.600 2.212 2.112 2.253 . 0 0 "[ . 1 . 2 ]" 2 18 1 29 PHE O 1 33 ILE H 2.200 . 2.600 1.972 1.903 1.989 . 0 0 "[ . 1 . 2 ]" 2 19 1 28 ASP O 1 32 VAL H 2.200 . 2.600 2.589 2.403 2.616 0.016 22 0 "[ . 1 . 2 ]" 2 20 1 40 LYS O 1 71 VAL H 2.200 . 2.600 2.270 2.186 2.306 . 0 0 "[ . 1 . 2 ]" 2 21 1 42 VAL H 1 69 LEU O 2.200 . 2.600 2.040 1.983 2.085 . 0 0 "[ . 1 . 2 ]" 2 22 1 42 VAL O 1 69 LEU H 2.200 . 2.600 2.474 2.331 2.601 0.001 13 0 "[ . 1 . 2 ]" 2 23 1 46 ASP O 1 61 VAL H 2.200 . 2.600 2.172 2.130 2.235 . 0 0 "[ . 1 . 2 ]" 2 24 1 48 ILE H 1 59 PHE O 2.200 . 2.600 2.313 2.271 2.392 . 0 0 "[ . 1 . 2 ]" 2 25 1 48 ILE O 1 59 PHE H 2.200 . 2.600 2.164 2.140 2.191 . 0 0 "[ . 1 . 2 ]" 2 26 1 50 ILE H 1 57 VAL O 2.200 . 2.600 2.201 2.146 2.265 . 0 0 "[ . 1 . 2 ]" 2 27 1 50 ILE O 1 57 VAL H 2.200 . 2.600 2.252 2.170 2.314 . 0 0 "[ . 1 . 2 ]" 2 28 1 52 ILE H 1 55 LYS O 2.200 . 2.600 2.111 2.019 2.160 . 0 0 "[ . 1 . 2 ]" 2 29 1 20 LEU H 1 58 LYS O 2.200 . 2.600 2.215 2.166 2.298 . 0 0 "[ . 1 . 2 ]" 2 30 1 37 LEU O 1 40 LYS H 2.200 . 2.600 2.221 2.180 2.292 . 0 0 "[ . 1 . 2 ]" 2 31 1 45 GLY H 1 61 VAL O 2.200 . 2.600 2.211 2.154 2.288 . 0 0 "[ . 1 . 2 ]" 2 32 1 43 ARG O 1 46 ASP H 2.200 . 2.600 2.334 2.303 2.362 . 0 0 "[ . 1 . 2 ]" 2 33 1 43 ARG H 1 46 ASP OD1 2.200 . 2.600 4.240 4.205 4.268 1.668 14 22 [*************+*******-] 2 stop_ save_
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