NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | in_dress | stage | program | type | subtype | subsubtype |
375431 | 1f53 | 4758 | cing | recoord | dress | 4-filtered-FRED | Wattos | check | violation | distance |
data_1f53 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 783 _Distance_constraint_stats_list.Viol_count 55 _Distance_constraint_stats_list.Viol_total 3.713 _Distance_constraint_stats_list.Viol_max 0.277 _Distance_constraint_stats_list.Viol_rms 0.0250 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0047 _Distance_constraint_stats_list.Viol_average_violations_only 0.0675 _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 1 ILE 0.062 0.050 1 0 "[ ]" 1 2 ASP 0.000 0.000 . 0 "[ ]" 1 3 HIS 0.000 0.000 . 0 "[ ]" 1 4 VAL 0.022 0.022 1 0 "[ ]" 1 5 PRO 0.008 0.008 1 0 "[ ]" 1 6 CYS 0.032 0.025 1 0 "[ ]" 1 7 ARG 0.008 0.008 1 0 "[ ]" 1 8 GLY 0.000 0.000 . 0 "[ ]" 1 9 GLY 0.000 0.000 . 0 "[ ]" 1 10 GLU 0.000 0.000 . 0 "[ ]" 1 11 ASN 0.106 0.106 1 0 "[ ]" 1 12 PHE 0.008 0.008 1 0 "[ ]" 1 13 LEU 0.025 0.025 1 0 "[ ]" 1 14 LYS 0.048 0.042 1 0 "[ ]" 1 15 ILE 0.000 0.000 . 0 "[ ]" 1 16 TRP 0.138 0.081 1 0 "[ ]" 1 17 SER 0.041 0.041 1 0 "[ ]" 1 18 HIS 0.013 0.013 1 0 "[ ]" 1 19 SER 0.018 0.016 1 0 "[ ]" 1 20 GLY 0.000 0.000 . 0 "[ ]" 1 21 GLY 0.000 0.000 . 0 "[ ]" 1 22 GLN 0.022 0.022 1 0 "[ ]" 1 23 GLN 0.036 0.022 1 0 "[ ]" 1 24 SER 0.015 0.007 1 0 "[ ]" 1 25 VAL 0.081 0.081 1 0 "[ ]" 1 26 ASP 0.005 0.005 1 0 "[ ]" 1 27 CYS 0.000 0.000 . 0 "[ ]" 1 28 TYR 0.120 0.099 1 0 "[ ]" 1 29 ALA 0.148 0.099 1 0 "[ ]" 1 30 ASN 0.046 0.034 1 0 "[ ]" 1 31 ARG 0.052 0.034 1 0 "[ ]" 1 32 GLY 0.000 0.000 . 0 "[ ]" 1 33 ARG 0.012 0.012 1 0 "[ ]" 1 34 ILE 0.093 0.069 1 0 "[ ]" 1 35 ASP 0.000 0.000 . 0 "[ ]" 1 36 PHE 0.000 0.000 . 0 "[ ]" 1 37 GLY 0.000 0.000 . 0 "[ ]" 1 38 GLY 0.000 0.000 . 0 "[ ]" 1 39 TRP 0.029 0.016 1 0 "[ ]" 1 40 TRP 0.027 0.014 1 0 "[ ]" 1 41 VAL 0.029 0.029 1 0 "[ ]" 1 42 ASP 0.041 0.041 1 0 "[ ]" 1 43 LYS 0.009 0.009 1 0 "[ ]" 1 44 ILE 0.000 0.000 . 0 "[ ]" 1 45 SER 0.090 0.047 1 0 "[ ]" 1 46 THR 0.216 0.125 1 0 "[ ]" 1 47 GLY 0.125 0.125 1 0 "[ ]" 1 48 ASN 0.140 0.140 1 0 "[ ]" 1 49 ASN 0.223 0.134 1 0 "[ ]" 1 50 ASP 0.000 0.000 . 0 "[ ]" 1 51 LEU 0.285 0.096 1 0 "[ ]" 1 52 ILE 0.087 0.087 1 0 "[ ]" 1 53 TYR 0.241 0.241 1 0 "[ ]" 1 54 TYR 0.000 0.000 . 0 "[ ]" 1 55 ASP 0.054 0.033 1 0 "[ ]" 1 56 ALA 0.099 0.078 1 0 "[ ]" 1 57 ASN 0.093 0.072 1 0 "[ ]" 1 58 GLY 0.072 0.072 1 0 "[ ]" 1 59 ASP 0.144 0.144 1 0 "[ ]" 1 60 SER 0.000 0.000 . 0 "[ ]" 1 61 VAL 0.283 0.144 1 0 "[ ]" 1 62 ARG 0.328 0.241 1 0 "[ ]" 1 63 VAL 0.361 0.139 1 0 "[ ]" 1 64 ASP 0.307 0.181 1 0 "[ ]" 1 65 ARG 0.181 0.181 1 0 "[ ]" 1 66 TRP 0.140 0.140 1 0 "[ ]" 1 67 HIS 0.014 0.014 1 0 "[ ]" 1 68 ASP 0.000 0.000 . 0 "[ ]" 1 69 ILE 0.072 0.072 1 0 "[ ]" 1 70 THR 0.032 0.032 1 0 "[ ]" 1 71 TYR 0.032 0.032 1 0 "[ ]" 1 72 PRO 0.000 0.000 . 0 "[ ]" 1 73 ASN 0.068 0.068 1 0 "[ ]" 1 74 ARG 0.068 0.068 1 0 "[ ]" 1 75 PRO 0.000 0.000 . 0 "[ ]" 1 76 PRO 0.000 0.000 . 0 "[ ]" 1 77 LYS 0.000 0.000 . 0 "[ ]" 1 78 VAL 0.145 0.078 1 0 "[ ]" 1 79 ASN 0.021 0.021 1 0 "[ ]" 1 80 SER 0.071 0.037 1 0 "[ ]" 1 81 ILE 0.580 0.272 1 0 "[ ]" 1 82 GLU 0.353 0.226 1 0 "[ ]" 1 83 ILE 0.578 0.277 1 0 "[ ]" 1 84 LEU 0.446 0.277 1 0 "[ ]" 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 1 ILE HA 1 1 ILE QG 0.000 . 3.700 2.747 2.747 2.747 . 0 0 "[ ]" 1 2 1 1 ILE HA 1 2 ASP H 0.000 . 2.700 2.488 2.488 2.488 . 0 0 "[ ]" 1 3 1 1 ILE HA 1 29 ALA HA 0.000 . 5.000 5.050 5.050 5.050 0.050 1 0 "[ ]" 1 4 1 1 ILE HA 1 30 ASN HA 0.000 . 5.000 5.012 5.012 5.012 0.012 1 0 "[ ]" 1 5 1 1 ILE HA 1 30 ASN QB 0.000 . 3.700 2.834 2.834 2.834 . 0 0 "[ ]" 1 6 1 1 ILE HB 1 2 ASP H 0.000 . 5.000 3.615 3.615 3.615 . 0 0 "[ ]" 1 7 1 1 ILE MD 1 2 ASP H 0.000 . 6.500 3.028 3.028 3.028 . 0 0 "[ ]" 1 8 1 1 ILE MD 1 28 TYR HA 0.000 . 6.500 5.288 5.288 5.288 . 0 0 "[ ]" 1 9 1 1 ILE MD 1 28 TYR QB 0.000 . 6.000 3.050 3.050 3.050 . 0 0 "[ ]" 1 10 1 1 ILE MD 1 33 ARG HA 0.000 . 5.000 4.091 4.091 4.091 . 0 0 "[ ]" 1 11 1 1 ILE MD 1 81 ILE MD 0.000 . 6.500 3.361 3.361 3.361 . 0 0 "[ ]" 1 12 1 1 ILE MD 1 82 GLU HA 0.000 . 5.000 3.970 3.970 3.970 . 0 0 "[ ]" 1 13 1 1 ILE MD 1 83 ILE HA 0.000 . 6.500 4.448 4.448 4.448 . 0 0 "[ ]" 1 14 1 1 ILE MD 1 83 ILE H 0.000 . 5.000 2.433 2.433 2.433 . 0 0 "[ ]" 1 15 1 1 ILE QG 1 2 ASP H 0.000 . 4.500 4.191 4.191 4.191 . 0 0 "[ ]" 1 16 1 1 ILE QG 1 29 ALA H 0.000 . 6.000 5.445 5.445 5.445 . 0 0 "[ ]" 1 17 1 1 ILE QG 1 81 ILE H 0.000 . 6.000 5.204 5.204 5.204 . 0 0 "[ ]" 1 18 1 1 ILE MG 1 2 ASP H 0.000 . 3.500 1.712 1.712 1.712 . 0 0 "[ ]" 1 19 1 1 ILE MG 1 28 TYR HA 0.000 . 5.000 3.926 3.926 3.926 . 0 0 "[ ]" 1 20 1 2 ASP HA 1 3 HIS H 0.000 . 2.700 2.459 2.459 2.459 . 0 0 "[ ]" 1 21 1 2 ASP HA 1 4 VAL MG1 0.000 . 6.500 4.856 4.856 4.856 . 0 0 "[ ]" 1 22 1 2 ASP QB 1 3 HIS H 0.000 . 4.500 2.767 2.767 2.767 . 0 0 "[ ]" 1 23 1 2 ASP QB 1 4 VAL MG1 0.000 . 6.000 2.734 2.734 2.734 . 0 0 "[ ]" 1 24 1 2 ASP QB 1 29 ALA H 0.000 . 6.000 2.532 2.532 2.532 . 0 0 "[ ]" 1 25 1 2 ASP QB 1 30 ASN QD 0.000 . 7.000 2.648 2.648 2.648 . 0 0 "[ ]" 1 26 1 2 ASP H 1 4 VAL MG2 0.000 . 6.500 4.283 4.283 4.283 . 0 0 "[ ]" 1 27 1 2 ASP H 1 28 TYR HA 0.000 . 5.000 3.991 3.991 3.991 . 0 0 "[ ]" 1 28 1 2 ASP H 1 29 ALA MB 0.000 . 6.500 3.578 3.578 3.578 . 0 0 "[ ]" 1 29 1 2 ASP H 1 29 ALA H 0.000 . 3.500 1.733 1.733 1.733 . 0 0 "[ ]" 1 30 1 2 ASP H 1 30 ASN QB 0.000 . 6.000 3.859 3.859 3.859 . 0 0 "[ ]" 1 31 1 2 ASP H 1 30 ASN QD 0.000 . 6.000 4.868 4.868 4.868 . 0 0 "[ ]" 1 32 1 3 HIS HA 1 28 TYR HA 0.000 . 2.700 2.545 2.545 2.545 . 0 0 "[ ]" 1 33 1 3 HIS QB 1 4 VAL H 0.000 . 6.000 3.660 3.660 3.660 . 0 0 "[ ]" 1 34 1 3 HIS H 1 4 VAL MG1 0.000 . 6.500 3.468 3.468 3.468 . 0 0 "[ ]" 1 35 1 3 HIS H 1 28 TYR HA 0.000 . 5.000 4.631 4.631 4.631 . 0 0 "[ ]" 1 36 1 4 VAL HA 1 4 VAL HB 0.000 . 2.700 2.583 2.583 2.583 . 0 0 "[ ]" 1 37 1 4 VAL HA 1 5 PRO QD 0.000 . 3.700 1.933 1.933 1.933 . 0 0 "[ ]" 1 38 1 4 VAL HB 1 28 TYR HA 0.000 . 5.000 5.022 5.022 5.022 0.022 1 0 "[ ]" 1 39 1 4 VAL MG1 1 28 TYR HA 0.000 . 6.500 4.116 4.116 4.116 . 0 0 "[ ]" 1 40 1 4 VAL MG1 1 29 ALA MB 0.000 . 6.500 2.054 2.054 2.054 . 0 0 "[ ]" 1 41 1 4 VAL MG1 1 29 ALA H 0.000 . 6.500 4.151 4.151 4.151 . 0 0 "[ ]" 1 42 1 4 VAL MG2 1 5 PRO QD 0.000 . 7.500 4.001 4.001 4.001 . 0 0 "[ ]" 1 43 1 4 VAL MG2 1 6 CYS HA 0.000 . 6.500 3.967 3.967 3.967 . 0 0 "[ ]" 1 44 1 4 VAL MG2 1 12 PHE QD 0.000 . 7.000 2.574 2.574 2.574 . 0 0 "[ ]" 1 45 1 4 VAL MG2 1 12 PHE QE 0.000 . 7.000 3.003 3.003 3.003 . 0 0 "[ ]" 1 46 1 4 VAL MG2 1 13 LEU H 0.000 . 6.500 3.216 3.216 3.216 . 0 0 "[ ]" 1 47 1 4 VAL MG2 1 27 CYS QB 0.000 . 7.500 3.448 3.448 3.448 . 0 0 "[ ]" 1 48 1 4 VAL MG2 1 27 CYS H 0.000 . 6.500 5.230 5.230 5.230 . 0 0 "[ ]" 1 49 1 4 VAL MG2 1 28 TYR HA 0.000 . 5.000 2.312 2.312 2.312 . 0 0 "[ ]" 1 50 1 4 VAL MG2 1 28 TYR H 0.000 . 6.500 3.479 3.479 3.479 . 0 0 "[ ]" 1 51 1 4 VAL MG2 1 29 ALA HA 0.000 . 6.500 2.762 2.762 2.762 . 0 0 "[ ]" 1 52 1 4 VAL MG2 1 29 ALA MB 0.000 . 6.500 1.715 1.715 1.715 . 0 0 "[ ]" 1 53 1 4 VAL MG2 1 29 ALA H 0.000 . 5.000 2.846 2.846 2.846 . 0 0 "[ ]" 1 54 1 4 VAL H 1 28 TYR HA 0.000 . 3.500 2.246 2.246 2.246 . 0 0 "[ ]" 1 55 1 5 PRO HA 1 6 CYS H 0.000 . 2.700 2.708 2.708 2.708 0.008 1 0 "[ ]" 1 56 1 5 PRO QB 1 6 CYS H 0.000 . 6.000 4.022 4.022 4.022 . 0 0 "[ ]" 1 57 1 5 PRO HG2 1 6 CYS H 0.000 . 5.000 4.700 4.700 4.700 . 0 0 "[ ]" 1 58 1 6 CYS HA 1 12 PHE QB 0.000 . 6.000 2.211 2.211 2.211 . 0 0 "[ ]" 1 59 1 6 CYS HA 1 14 LYS QE 0.000 . 6.000 5.122 5.122 5.122 . 0 0 "[ ]" 1 60 1 6 CYS QB 1 7 ARG H 0.000 . 6.000 2.709 2.709 2.709 . 0 0 "[ ]" 1 61 1 6 CYS QB 1 12 PHE QD 0.000 . 8.000 4.293 4.293 4.293 . 0 0 "[ ]" 1 62 1 6 CYS H 1 13 LEU H 0.000 . 5.000 5.025 5.025 5.025 0.025 1 0 "[ ]" 1 63 1 7 ARG HA 1 8 GLY H 0.000 . 5.000 2.679 2.679 2.679 . 0 0 "[ ]" 1 64 1 7 ARG HA 1 12 PHE QD 0.000 . 5.500 2.247 2.247 2.247 . 0 0 "[ ]" 1 65 1 7 ARG QB 1 8 GLY H 0.000 . 6.000 3.955 3.955 3.955 . 0 0 "[ ]" 1 66 1 7 ARG HG2 1 12 PHE QD 0.000 . 8.500 3.239 3.239 3.239 . 0 0 "[ ]" 1 67 1 7 ARG H 1 9 GLY QA 0.000 . 6.000 4.275 4.275 4.275 . 0 0 "[ ]" 1 68 1 7 ARG H 1 11 ASN QB 0.000 . 6.000 3.491 3.491 3.491 . 0 0 "[ ]" 1 69 1 7 ARG H 1 12 PHE HA 0.000 . 5.000 5.008 5.008 5.008 0.008 1 0 "[ ]" 1 70 1 9 GLY QA 1 10 GLU H 0.000 . 6.000 2.804 2.804 2.804 . 0 0 "[ ]" 1 71 1 10 GLU HA 1 10 GLU QG 0.000 . 3.700 2.302 2.302 2.302 . 0 0 "[ ]" 1 72 1 10 GLU HA 1 11 ASN H 0.000 . 3.500 2.877 2.877 2.877 . 0 0 "[ ]" 1 73 1 10 GLU QB 1 11 ASN H 0.000 . 6.000 3.883 3.883 3.883 . 0 0 "[ ]" 1 74 1 10 GLU QG 1 11 ASN H 0.000 . 6.000 4.255 4.255 4.255 . 0 0 "[ ]" 1 75 1 11 ASN H 1 11 ASN HA 0.000 . 2.700 2.806 2.806 2.806 0.106 1 0 "[ ]" 1 76 1 11 ASN HA 1 12 PHE H 0.000 . 5.000 2.916 2.916 2.916 . 0 0 "[ ]" 1 77 1 11 ASN QD 1 48 ASN H 0.000 . 6.000 5.312 5.312 5.312 . 0 0 "[ ]" 1 78 1 12 PHE HA 1 13 LEU H 0.000 . 3.500 2.724 2.724 2.724 . 0 0 "[ ]" 1 79 1 12 PHE QB 1 13 LEU H 0.000 . 4.500 2.060 2.060 2.060 . 0 0 "[ ]" 1 80 1 12 PHE QB 1 28 TYR H 0.000 . 6.000 4.712 4.712 4.712 . 0 0 "[ ]" 1 81 1 12 PHE QD 1 27 CYS QB 0.000 . 8.000 5.628 5.628 5.628 . 0 0 "[ ]" 1 82 1 12 PHE QD 1 29 ALA MB 0.000 . 6.200 2.432 2.432 2.432 . 0 0 "[ ]" 1 83 1 12 PHE QE 1 29 ALA MB 0.000 . 6.200 1.815 1.815 1.815 . 0 0 "[ ]" 1 84 1 12 PHE H 1 13 LEU H 0.000 . 5.000 4.702 4.702 4.702 . 0 0 "[ ]" 1 85 1 13 LEU HA 1 13 LEU MD1 0.000 . 4.200 1.795 1.795 1.795 . 0 0 "[ ]" 1 86 1 13 LEU HA 1 14 LYS H 0.000 . 2.700 2.218 2.218 2.218 . 0 0 "[ ]" 1 87 1 13 LEU HA 1 28 TYR H 0.000 . 5.000 4.907 4.907 4.907 . 0 0 "[ ]" 1 88 1 13 LEU HA 1 46 THR HA 0.000 . 3.500 3.140 3.140 3.140 . 0 0 "[ ]" 1 89 1 13 LEU HA 1 46 THR MG 0.000 . 6.500 4.595 4.595 4.595 . 0 0 "[ ]" 1 90 1 13 LEU QB 1 28 TYR H 0.000 . 6.000 2.601 2.601 2.601 . 0 0 "[ ]" 1 91 1 13 LEU QB 1 46 THR HA 0.000 . 6.000 3.687 3.687 3.687 . 0 0 "[ ]" 1 92 1 13 LEU MD1 1 30 ASN HA 0.000 . 6.500 5.284 5.284 5.284 . 0 0 "[ ]" 1 93 1 13 LEU MD1 1 46 THR HA 0.000 . 4.200 2.681 2.681 2.681 . 0 0 "[ ]" 1 94 1 13 LEU MD1 1 46 THR HB 0.000 . 6.500 3.661 3.661 3.661 . 0 0 "[ ]" 1 95 1 13 LEU MD2 1 14 LYS H 0.000 . 6.500 4.877 4.877 4.877 . 0 0 "[ ]" 1 96 1 13 LEU MD2 1 27 CYS HA 0.000 . 6.500 5.181 5.181 5.181 . 0 0 "[ ]" 1 97 1 13 LEU MD2 1 28 TYR QD 0.000 . 7.000 3.551 3.551 3.551 . 0 0 "[ ]" 1 98 1 13 LEU MD2 1 28 TYR QE 0.000 . 8.500 4.211 4.211 4.211 . 0 0 "[ ]" 1 99 1 13 LEU MD2 1 28 TYR H 0.000 . 6.500 3.769 3.769 3.769 . 0 0 "[ ]" 1 100 1 13 LEU MD2 1 29 ALA H 0.000 . 5.000 3.639 3.639 3.639 . 0 0 "[ ]" 1 101 1 13 LEU H 1 13 LEU HG 0.000 . 5.000 3.967 3.967 3.967 . 0 0 "[ ]" 1 102 1 13 LEU HG 1 28 TYR QD 0.000 . 5.500 3.638 3.638 3.638 . 0 0 "[ ]" 1 103 1 13 LEU H 1 28 TYR QB 0.000 . 6.000 5.358 5.358 5.358 . 0 0 "[ ]" 1 104 1 13 LEU H 1 28 TYR H 0.000 . 5.000 3.719 3.719 3.719 . 0 0 "[ ]" 1 105 1 13 LEU H 1 29 ALA MB 0.000 . 6.500 4.174 4.174 4.174 . 0 0 "[ ]" 1 106 1 13 LEU H 1 49 ASN QD 0.000 . 6.000 5.185 5.185 5.185 . 0 0 "[ ]" 1 107 1 14 LYS HA 1 14 LYS QE 0.000 . 6.000 4.408 4.408 4.408 . 0 0 "[ ]" 1 108 1 14 LYS HA 1 15 ILE H 0.000 . 2.700 2.226 2.226 2.226 . 0 0 "[ ]" 1 109 1 14 LYS HA 1 26 ASP H 0.000 . 5.000 5.005 5.005 5.005 0.005 1 0 "[ ]" 1 110 1 14 LYS HA 1 27 CYS HA 0.000 . 2.700 2.210 2.210 2.210 . 0 0 "[ ]" 1 111 1 14 LYS QB 1 16 TRP HE3 0.000 . 6.000 3.966 3.966 3.966 . 0 0 "[ ]" 1 112 1 14 LYS QB 1 27 CYS HA 0.000 . 6.000 4.315 4.315 4.315 . 0 0 "[ ]" 1 113 1 14 LYS QB 1 45 SER H 0.000 . 6.000 3.267 3.267 3.267 . 0 0 "[ ]" 1 114 1 14 LYS H 1 14 LYS QD 0.000 . 6.000 4.982 4.982 4.982 . 0 0 "[ ]" 1 115 1 14 LYS QD 1 15 ILE HA 0.000 . 6.000 5.111 5.111 5.111 . 0 0 "[ ]" 1 116 1 14 LYS QD 1 16 TRP HA 0.000 . 6.000 5.274 5.274 5.274 . 0 0 "[ ]" 1 117 1 14 LYS QD 1 16 TRP HE3 0.000 . 6.000 4.301 4.301 4.301 . 0 0 "[ ]" 1 118 1 14 LYS QD 1 25 VAL MG1 0.000 . 7.500 2.351 2.351 2.351 . 0 0 "[ ]" 1 119 1 14 LYS QE 1 16 TRP HE3 0.000 . 6.000 5.393 5.393 5.393 . 0 0 "[ ]" 1 120 1 14 LYS H 1 14 LYS QG 0.000 . 4.500 3.875 3.875 3.875 . 0 0 "[ ]" 1 121 1 14 LYS QG 1 15 ILE H 0.000 . 4.500 3.188 3.188 3.188 . 0 0 "[ ]" 1 122 1 14 LYS H 1 45 SER QB 0.000 . 6.000 2.984 2.984 2.984 . 0 0 "[ ]" 1 123 1 14 LYS H 1 45 SER H 0.000 . 3.500 3.542 3.542 3.542 0.042 1 0 "[ ]" 1 124 1 14 LYS H 1 46 THR HA 0.000 . 5.000 3.444 3.444 3.444 . 0 0 "[ ]" 1 125 1 15 ILE HA 1 15 ILE MG 0.000 . 2.700 2.225 2.225 2.225 . 0 0 "[ ]" 1 126 1 15 ILE HA 1 16 TRP HE3 0.000 . 2.700 2.283 2.283 2.283 . 0 0 "[ ]" 1 127 1 15 ILE HA 1 16 TRP H 0.000 . 2.700 2.227 2.227 2.227 . 0 0 "[ ]" 1 128 1 15 ILE H 1 15 ILE HB 0.000 . 3.500 2.679 2.679 2.679 . 0 0 "[ ]" 1 129 1 15 ILE HB 1 16 TRP H 0.000 . 5.000 4.037 4.037 4.037 . 0 0 "[ ]" 1 130 1 15 ILE HB 1 26 ASP H 0.000 . 5.000 3.073 3.073 3.073 . 0 0 "[ ]" 1 131 1 15 ILE HB 1 28 TYR QD 0.000 . 7.000 4.624 4.624 4.624 . 0 0 "[ ]" 1 132 1 15 ILE HB 1 28 TYR QE 0.000 . 7.000 2.769 2.769 2.769 . 0 0 "[ ]" 1 133 1 15 ILE HB 1 36 PHE QD 0.000 . 7.000 5.567 5.567 5.567 . 0 0 "[ ]" 1 134 1 15 ILE MD 1 28 TYR QE 0.000 . 8.500 3.257 3.257 3.257 . 0 0 "[ ]" 1 135 1 15 ILE MD 1 81 ILE MD 0.000 . 6.500 3.154 3.154 3.154 . 0 0 "[ ]" 1 136 1 15 ILE H 1 15 ILE QG 0.000 . 4.500 2.526 2.526 2.526 . 0 0 "[ ]" 1 137 1 15 ILE QG 1 26 ASP H 0.000 . 6.000 4.548 4.548 4.548 . 0 0 "[ ]" 1 138 1 15 ILE MG 1 36 PHE QD 0.000 . 6.200 4.168 4.168 4.168 . 0 0 "[ ]" 1 139 1 15 ILE MG 1 36 PHE QE 0.000 . 6.200 2.293 2.293 2.293 . 0 0 "[ ]" 1 140 1 15 ILE MG 1 16 TRP H 0.000 . 3.500 2.237 2.237 2.237 . 0 0 "[ ]" 1 141 1 15 ILE MG 1 17 SER HA 0.000 . 5.000 4.118 4.118 4.118 . 0 0 "[ ]" 1 142 1 15 ILE MG 1 17 SER QB 0.000 . 6.000 3.435 3.435 3.435 . 0 0 "[ ]" 1 143 1 15 ILE MG 1 45 SER H 0.000 . 5.000 4.126 4.126 4.126 . 0 0 "[ ]" 1 144 1 15 ILE MG 1 81 ILE MD 0.000 . 6.500 2.775 2.775 2.775 . 0 0 "[ ]" 1 145 1 15 ILE H 1 16 TRP H 0.000 . 5.000 4.413 4.413 4.413 . 0 0 "[ ]" 1 146 1 15 ILE H 1 26 ASP H 0.000 . 3.500 3.093 3.093 3.093 . 0 0 "[ ]" 1 147 1 15 ILE H 1 27 CYS HA 0.000 . 5.000 3.309 3.309 3.309 . 0 0 "[ ]" 1 148 1 16 TRP HA 1 16 TRP HE3 0.000 . 5.000 3.605 3.605 3.605 . 0 0 "[ ]" 1 149 1 16 TRP HA 1 17 SER H 0.000 . 2.700 2.198 2.198 2.198 . 0 0 "[ ]" 1 150 1 16 TRP HA 1 25 VAL HA 0.000 . 2.700 1.686 1.686 1.686 . 0 0 "[ ]" 1 151 1 16 TRP HA 1 25 VAL HB 0.000 . 5.000 2.626 2.626 2.626 . 0 0 "[ ]" 1 152 1 16 TRP HA 1 25 VAL MG1 0.000 . 6.500 4.025 4.025 4.025 . 0 0 "[ ]" 1 153 1 16 TRP HA 1 25 VAL MG2 0.000 . 5.000 3.116 3.116 3.116 . 0 0 "[ ]" 1 154 1 16 TRP HA 1 25 VAL H 0.000 . 5.000 3.946 3.946 3.946 . 0 0 "[ ]" 1 155 1 16 TRP HA 1 26 ASP H 0.000 . 5.000 3.432 3.432 3.432 . 0 0 "[ ]" 1 156 1 16 TRP HA 1 43 LYS H 0.000 . 5.000 4.782 4.782 4.782 . 0 0 "[ ]" 1 157 1 16 TRP QB 1 17 SER H 0.000 . 6.000 3.615 3.615 3.615 . 0 0 "[ ]" 1 158 1 16 TRP QB 1 42 ASP H 0.000 . 6.000 3.182 3.182 3.182 . 0 0 "[ ]" 1 159 1 16 TRP QB 1 43 LYS H 0.000 . 4.500 2.423 2.423 2.423 . 0 0 "[ ]" 1 160 1 16 TRP HE1 1 25 VAL MG1 0.000 . 6.500 3.411 3.411 3.411 . 0 0 "[ ]" 1 161 1 16 TRP HE1 1 25 VAL MG2 0.000 . 5.000 4.016 4.016 4.016 . 0 0 "[ ]" 1 162 1 16 TRP H 1 16 TRP HE3 0.000 . 2.700 1.812 1.812 1.812 . 0 0 "[ ]" 1 163 1 16 TRP HE3 1 44 ILE HA 0.000 . 5.000 2.188 2.188 2.188 . 0 0 "[ ]" 1 164 1 16 TRP HE3 1 45 SER H 0.000 . 5.000 3.029 3.029 3.029 . 0 0 "[ ]" 1 165 1 16 TRP HH2 1 25 VAL HB 0.000 . 5.000 5.081 5.081 5.081 0.081 1 0 "[ ]" 1 166 1 16 TRP HH2 1 25 VAL MG2 0.000 . 4.200 3.201 3.201 3.201 . 0 0 "[ ]" 1 167 1 16 TRP HH2 1 43 LYS HG2 0.000 . 5.000 5.009 5.009 5.009 0.009 1 0 "[ ]" 1 168 1 16 TRP H 1 25 VAL HA 0.000 . 5.000 4.086 4.086 4.086 . 0 0 "[ ]" 1 169 1 16 TRP H 1 43 LYS HA 0.000 . 5.000 4.469 4.469 4.469 . 0 0 "[ ]" 1 170 1 16 TRP H 1 43 LYS QB 0.000 . 6.000 3.560 3.560 3.560 . 0 0 "[ ]" 1 171 1 16 TRP H 1 43 LYS QG 0.000 . 6.000 3.538 3.538 3.538 . 0 0 "[ ]" 1 172 1 16 TRP H 1 43 LYS H 0.000 . 5.000 3.441 3.441 3.441 . 0 0 "[ ]" 1 173 1 16 TRP H 1 44 ILE MG 0.000 . 5.000 4.210 4.210 4.210 . 0 0 "[ ]" 1 174 1 16 TRP HZ2 1 25 VAL MG1 0.000 . 5.000 3.808 3.808 3.808 . 0 0 "[ ]" 1 175 1 16 TRP HZ2 1 45 SER HB3 0.000 . 5.000 5.047 5.047 5.047 0.047 1 0 "[ ]" 1 176 1 16 TRP HZ2 1 45 SER HB2 0.000 . 5.000 4.514 4.514 4.514 . 0 0 "[ ]" 1 177 1 16 TRP HZ3 1 43 LYS QB 0.000 . 6.000 5.274 5.274 5.274 . 0 0 "[ ]" 1 178 1 16 TRP HZ3 1 45 SER HB3 0.000 . 3.500 1.745 1.745 1.745 . 0 0 "[ ]" 1 179 1 16 TRP HZ3 1 45 SER HB2 0.000 . 3.500 2.129 2.129 2.129 . 0 0 "[ ]" 1 180 1 17 SER HA 1 18 HIS H 0.000 . 3.500 2.234 2.234 2.234 . 0 0 "[ ]" 1 181 1 17 SER HA 1 40 TRP QB 0.000 . 6.000 3.469 3.469 3.469 . 0 0 "[ ]" 1 182 1 17 SER HA 1 41 VAL HA 0.000 . 2.700 1.863 1.863 1.863 . 0 0 "[ ]" 1 183 1 17 SER HA 1 41 VAL MG2 0.000 . 5.000 3.617 3.617 3.617 . 0 0 "[ ]" 1 184 1 17 SER HA 1 42 ASP H 0.000 . 3.500 3.435 3.435 3.435 . 0 0 "[ ]" 1 185 1 17 SER QB 1 18 HIS H 0.000 . 4.500 3.375 3.375 3.375 . 0 0 "[ ]" 1 186 1 17 SER QB 1 40 TRP HE3 0.000 . 6.000 1.777 1.777 1.777 . 0 0 "[ ]" 1 187 1 17 SER QB 1 42 ASP H 0.000 . 6.000 5.009 5.009 5.009 . 0 0 "[ ]" 1 188 1 17 SER HB3 1 36 PHE QD 0.000 . 7.000 4.111 4.111 4.111 . 0 0 "[ ]" 1 189 1 17 SER HB2 1 36 PHE QD 0.000 . 7.000 4.437 4.437 4.437 . 0 0 "[ ]" 1 190 1 17 SER H 1 24 SER H 0.000 . 3.500 3.253 3.253 3.253 . 0 0 "[ ]" 1 191 1 17 SER H 1 25 VAL HA 0.000 . 2.700 2.440 2.440 2.440 . 0 0 "[ ]" 1 192 1 17 SER H 1 25 VAL MG2 0.000 . 6.500 4.383 4.383 4.383 . 0 0 "[ ]" 1 193 1 17 SER H 1 42 ASP H 0.000 . 5.000 5.041 5.041 5.041 0.041 1 0 "[ ]" 1 194 1 18 HIS HA 1 19 SER H 0.000 . 2.700 2.221 2.221 2.221 . 0 0 "[ ]" 1 195 1 18 HIS HA 1 23 GLN HA 0.000 . 2.700 1.854 1.854 1.854 . 0 0 "[ ]" 1 196 1 18 HIS HA 1 23 GLN QB 0.000 . 6.000 3.483 3.483 3.483 . 0 0 "[ ]" 1 197 1 18 HIS HA 1 24 SER H 0.000 . 5.000 3.209 3.209 3.209 . 0 0 "[ ]" 1 198 1 18 HIS HA 1 39 TRP HZ3 0.000 . 5.000 4.869 4.869 4.869 . 0 0 "[ ]" 1 199 1 18 HIS HA 1 40 TRP HE3 0.000 . 3.500 3.254 3.254 3.254 . 0 0 "[ ]" 1 200 1 18 HIS HA 1 40 TRP HZ3 0.000 . 3.500 2.871 2.871 2.871 . 0 0 "[ ]" 1 201 1 18 HIS QB 1 19 SER H 0.000 . 4.500 3.841 3.841 3.841 . 0 0 "[ ]" 1 202 1 18 HIS QB 1 23 GLN HA 0.000 . 4.500 2.728 2.728 2.728 . 0 0 "[ ]" 1 203 1 18 HIS HB3 1 39 TRP HZ3 0.000 . 5.000 3.515 3.515 3.515 . 0 0 "[ ]" 1 204 1 18 HIS HB2 1 39 TRP HZ3 0.000 . 5.000 5.013 5.013 5.013 0.013 1 0 "[ ]" 1 205 1 18 HIS H 1 19 SER H 0.000 . 5.000 4.410 4.410 4.410 . 0 0 "[ ]" 1 206 1 18 HIS H 1 40 TRP QB 0.000 . 6.000 4.322 4.322 4.322 . 0 0 "[ ]" 1 207 1 18 HIS H 1 40 TRP H 0.000 . 5.000 4.763 4.763 4.763 . 0 0 "[ ]" 1 208 1 18 HIS H 1 42 ASP QB 0.000 . 6.000 2.887 2.887 2.887 . 0 0 "[ ]" 1 209 1 18 HIS H 1 42 ASP H 0.000 . 5.000 4.113 4.113 4.113 . 0 0 "[ ]" 1 210 1 19 SER HA 1 39 TRP HZ3 0.000 . 2.700 2.716 2.716 2.716 0.016 1 0 "[ ]" 1 211 1 19 SER QB 1 39 TRP HA 0.000 . 4.500 4.085 4.085 4.085 . 0 0 "[ ]" 1 212 1 19 SER QB 1 40 TRP HE1 0.000 . 6.000 4.538 4.538 4.538 . 0 0 "[ ]" 1 213 1 19 SER H 1 22 GLN QB 0.000 . 6.000 5.401 5.401 5.401 . 0 0 "[ ]" 1 214 1 19 SER H 1 22 GLN QG 0.000 . 6.000 5.195 5.195 5.195 . 0 0 "[ ]" 1 215 1 19 SER H 1 23 GLN HA 0.000 . 3.500 3.415 3.415 3.415 . 0 0 "[ ]" 1 216 1 19 SER H 1 24 SER H 0.000 . 5.000 5.002 5.002 5.002 0.002 1 0 "[ ]" 1 217 1 20 GLY QA 1 21 GLY H 0.000 . 6.000 2.151 2.151 2.151 . 0 0 "[ ]" 1 218 1 20 GLY QA 1 22 GLN H 0.000 . 6.000 4.998 4.998 4.998 . 0 0 "[ ]" 1 219 1 21 GLY QA 1 22 GLN H 0.000 . 6.000 2.245 2.245 2.245 . 0 0 "[ ]" 1 220 1 21 GLY H 1 22 GLN H 0.000 . 5.000 3.687 3.687 3.687 . 0 0 "[ ]" 1 221 1 22 GLN HA 1 22 GLN QG 0.000 . 3.700 3.300 3.300 3.300 . 0 0 "[ ]" 1 222 1 22 GLN HA 1 23 GLN H 0.000 . 2.700 2.722 2.722 2.722 0.022 1 0 "[ ]" 1 223 1 22 GLN QB 1 23 GLN H 0.000 . 4.500 2.116 2.116 2.116 . 0 0 "[ ]" 1 224 1 22 GLN H 1 22 GLN QG 0.000 . 4.500 2.279 2.279 2.279 . 0 0 "[ ]" 1 225 1 22 GLN H 1 23 GLN H 0.000 . 5.000 4.359 4.359 4.359 . 0 0 "[ ]" 1 226 1 22 GLN H 1 24 SER QB 0.000 . 6.000 4.469 4.469 4.469 . 0 0 "[ ]" 1 227 1 23 GLN HA 1 24 SER HA 0.000 . 5.000 4.600 4.600 4.600 . 0 0 "[ ]" 1 228 1 23 GLN HA 1 24 SER H 0.000 . 2.700 2.327 2.327 2.327 . 0 0 "[ ]" 1 229 1 23 GLN HA 1 40 TRP HZ3 0.000 . 3.500 3.514 3.514 3.514 0.014 1 0 "[ ]" 1 230 1 23 GLN QB 1 24 SER H 0.000 . 4.500 2.823 2.823 2.823 . 0 0 "[ ]" 1 231 1 23 GLN QG 1 24 SER H 0.000 . 4.500 3.697 3.697 3.697 . 0 0 "[ ]" 1 232 1 24 SER QB 1 25 VAL H 0.000 . 6.000 3.752 3.752 3.752 . 0 0 "[ ]" 1 233 1 24 SER HB3 1 40 TRP HZ3 0.000 . 3.500 3.507 3.507 3.507 0.007 1 0 "[ ]" 1 234 1 24 SER HB2 1 40 TRP HZ3 0.000 . 3.500 3.506 3.506 3.506 0.006 1 0 "[ ]" 1 235 1 24 SER H 1 40 TRP HZ3 0.000 . 5.000 3.835 3.835 3.835 . 0 0 "[ ]" 1 236 1 25 VAL HA 1 26 ASP H 0.000 . 2.700 2.193 2.193 2.193 . 0 0 "[ ]" 1 237 1 25 VAL H 1 25 VAL HB 0.000 . 3.500 2.847 2.847 2.847 . 0 0 "[ ]" 1 238 1 25 VAL HB 1 26 ASP H 0.000 . 5.000 4.285 4.285 4.285 . 0 0 "[ ]" 1 239 1 25 VAL MG1 1 26 ASP QB 0.000 . 7.500 5.193 5.193 5.193 . 0 0 "[ ]" 1 240 1 25 VAL MG1 1 26 ASP H 0.000 . 5.000 4.145 4.145 4.145 . 0 0 "[ ]" 1 241 1 25 VAL MG1 1 27 CYS H 0.000 . 6.500 5.299 5.299 5.299 . 0 0 "[ ]" 1 242 1 25 VAL MG1 1 43 LYS QD 0.000 . 7.500 5.320 5.320 5.320 . 0 0 "[ ]" 1 243 1 25 VAL MG2 1 26 ASP H 0.000 . 6.500 2.641 2.641 2.641 . 0 0 "[ ]" 1 244 1 25 VAL H 1 26 ASP H 0.000 . 5.000 4.493 4.493 4.493 . 0 0 "[ ]" 1 245 1 26 ASP HA 1 27 CYS H 0.000 . 2.700 2.293 2.293 2.293 . 0 0 "[ ]" 1 246 1 26 ASP QB 1 27 CYS H 0.000 . 4.500 3.367 3.367 3.367 . 0 0 "[ ]" 1 247 1 26 ASP QB 1 28 TYR QE 0.000 . 8.000 3.213 3.213 3.213 . 0 0 "[ ]" 1 248 1 26 ASP H 1 27 CYS H 0.000 . 5.000 4.616 4.616 4.616 . 0 0 "[ ]" 1 249 1 27 CYS HA 1 28 TYR H 0.000 . 3.500 2.201 2.201 2.201 . 0 0 "[ ]" 1 250 1 28 TYR HA 1 29 ALA MB 0.000 . 6.500 3.624 3.624 3.624 . 0 0 "[ ]" 1 251 1 28 TYR HA 1 29 ALA H 0.000 . 2.700 2.799 2.799 2.799 0.099 1 0 "[ ]" 1 252 1 28 TYR QB 1 29 ALA H 0.000 . 4.500 1.884 1.884 1.884 . 0 0 "[ ]" 1 253 1 28 TYR QD 1 34 ILE MD 0.000 . 6.200 3.798 3.798 3.798 . 0 0 "[ ]" 1 254 1 28 TYR QD 1 34 ILE MG 0.000 . 6.200 3.830 3.830 3.830 . 0 0 "[ ]" 1 255 1 28 TYR QD 1 36 PHE QD 0.000 . 9.000 6.806 6.806 6.806 . 0 0 "[ ]" 1 256 1 28 TYR QD 1 81 ILE MD 0.000 . 7.000 3.654 3.654 3.654 . 0 0 "[ ]" 1 257 1 28 TYR QE 1 34 ILE MD 0.000 . 6.200 4.515 4.515 4.515 . 0 0 "[ ]" 1 258 1 28 TYR QE 1 34 ILE MG 0.000 . 7.000 3.954 3.954 3.954 . 0 0 "[ ]" 1 259 1 28 TYR QE 1 36 PHE QD 0.000 . 7.500 5.978 5.978 5.978 . 0 0 "[ ]" 1 260 1 28 TYR QE 1 49 ASN QB 0.000 . 6.500 4.425 4.425 4.425 . 0 0 "[ ]" 1 261 1 29 ALA HA 1 30 ASN H 0.000 . 2.700 2.359 2.359 2.359 . 0 0 "[ ]" 1 262 1 29 ALA MB 1 30 ASN QD 0.000 . 7.500 3.056 3.056 3.056 . 0 0 "[ ]" 1 263 1 29 ALA MB 1 30 ASN H 0.000 . 5.000 2.672 2.672 2.672 . 0 0 "[ ]" 1 264 1 30 ASN H 1 30 ASN HA 0.000 . 2.700 2.353 2.353 2.353 . 0 0 "[ ]" 1 265 1 30 ASN HA 1 31 ARG H 0.000 . 2.700 2.734 2.734 2.734 0.034 1 0 "[ ]" 1 266 1 30 ASN QB 1 31 ARG H 0.000 . 6.000 1.945 1.945 1.945 . 0 0 "[ ]" 1 267 1 30 ASN QB 1 83 ILE MG 0.000 . 6.000 4.507 4.507 4.507 . 0 0 "[ ]" 1 268 1 30 ASN H 1 31 ARG H 0.000 . 5.000 4.638 4.638 4.638 . 0 0 "[ ]" 1 269 1 30 ASN H 1 83 ILE MD 0.000 . 6.500 4.761 4.761 4.761 . 0 0 "[ ]" 1 270 1 31 ARG HA 1 31 ARG QG 0.000 . 3.700 3.298 3.298 3.298 . 0 0 "[ ]" 1 271 1 31 ARG HA 1 32 GLY H 0.000 . 2.700 2.352 2.352 2.352 . 0 0 "[ ]" 1 272 1 31 ARG HA 1 83 ILE HB 0.000 . 2.700 2.112 2.112 2.112 . 0 0 "[ ]" 1 273 1 31 ARG HA 1 83 ILE MD 0.000 . 5.000 3.137 3.137 3.137 . 0 0 "[ ]" 1 274 1 31 ARG HA 1 83 ILE MG 0.000 . 2.700 1.627 1.627 1.627 . 0 0 "[ ]" 1 275 1 31 ARG HA 1 83 ILE H 0.000 . 5.000 3.830 3.830 3.830 . 0 0 "[ ]" 1 276 1 31 ARG H 1 31 ARG QB 0.000 . 3.300 2.748 2.748 2.748 . 0 0 "[ ]" 1 277 1 31 ARG QB 1 32 GLY H 0.000 . 4.500 2.738 2.738 2.738 . 0 0 "[ ]" 1 278 1 31 ARG QB 1 84 LEU H 0.000 . 6.000 3.353 3.353 3.353 . 0 0 "[ ]" 1 279 1 31 ARG H 1 31 ARG QD 0.000 . 6.000 3.598 3.598 3.598 . 0 0 "[ ]" 1 280 1 31 ARG QD 1 32 GLY H 0.000 . 6.000 4.837 4.837 4.837 . 0 0 "[ ]" 1 281 1 31 ARG QG 1 32 GLY H 0.000 . 4.500 3.526 3.526 3.526 . 0 0 "[ ]" 1 282 1 31 ARG H 1 32 GLY H 0.000 . 5.000 4.517 4.517 4.517 . 0 0 "[ ]" 1 283 1 31 ARG H 1 83 ILE HB 0.000 . 5.000 5.018 5.018 5.018 0.018 1 0 "[ ]" 1 284 1 31 ARG H 1 83 ILE MD 0.000 . 6.500 5.097 5.097 5.097 . 0 0 "[ ]" 1 285 1 31 ARG H 1 83 ILE MG 0.000 . 5.000 3.656 3.656 3.656 . 0 0 "[ ]" 1 286 1 32 GLY QA 1 33 ARG H 0.000 . 3.700 2.320 2.320 2.320 . 0 0 "[ ]" 1 287 1 32 GLY H 1 82 GLU HA 0.000 . 5.000 3.784 3.784 3.784 . 0 0 "[ ]" 1 288 1 32 GLY H 1 83 ILE HB 0.000 . 3.500 2.377 2.377 2.377 . 0 0 "[ ]" 1 289 1 32 GLY H 1 83 ILE MD 0.000 . 6.500 4.237 4.237 4.237 . 0 0 "[ ]" 1 290 1 32 GLY H 1 83 ILE MG 0.000 . 3.500 2.789 2.789 2.789 . 0 0 "[ ]" 1 291 1 32 GLY H 1 83 ILE H 0.000 . 3.500 2.512 2.512 2.512 . 0 0 "[ ]" 1 292 1 33 ARG HA 1 34 ILE H 0.000 . 2.700 2.205 2.205 2.205 . 0 0 "[ ]" 1 293 1 33 ARG HA 1 81 ILE H 0.000 . 5.000 4.128 4.128 4.128 . 0 0 "[ ]" 1 294 1 33 ARG HA 1 82 GLU HA 0.000 . 2.700 1.606 1.606 1.606 . 0 0 "[ ]" 1 295 1 33 ARG HA 1 82 GLU QB 0.000 . 6.000 2.957 2.957 2.957 . 0 0 "[ ]" 1 296 1 33 ARG HA 1 82 GLU QG 0.000 . 4.500 2.938 2.938 2.938 . 0 0 "[ ]" 1 297 1 33 ARG HA 1 83 ILE H 0.000 . 3.500 3.512 3.512 3.512 0.012 1 0 "[ ]" 1 298 1 33 ARG H 1 33 ARG QB 0.000 . 3.300 2.549 2.549 2.549 . 0 0 "[ ]" 1 299 1 33 ARG QB 1 82 GLU HA 0.000 . 4.500 2.706 2.706 2.706 . 0 0 "[ ]" 1 300 1 33 ARG QB 1 83 ILE H 0.000 . 6.000 4.774 4.774 4.774 . 0 0 "[ ]" 1 301 1 33 ARG H 1 33 ARG QD 0.000 . 6.000 3.493 3.493 3.493 . 0 0 "[ ]" 1 302 1 33 ARG QD 1 82 GLU HA 0.000 . 6.000 4.797 4.797 4.797 . 0 0 "[ ]" 1 303 1 33 ARG H 1 34 ILE H 0.000 . 5.000 4.526 4.526 4.526 . 0 0 "[ ]" 1 304 1 33 ARG H 1 82 GLU HA 0.000 . 5.000 3.560 3.560 3.560 . 0 0 "[ ]" 1 305 1 33 ARG H 1 82 GLU QB 0.000 . 6.000 4.880 4.880 4.880 . 0 0 "[ ]" 1 306 1 34 ILE HA 1 34 ILE HB 0.000 . 2.700 2.391 2.391 2.391 . 0 0 "[ ]" 1 307 1 34 ILE HA 1 34 ILE QG 0.000 . 3.700 2.568 2.568 2.568 . 0 0 "[ ]" 1 308 1 34 ILE HA 1 34 ILE MG 0.000 . 3.500 3.152 3.152 3.152 . 0 0 "[ ]" 1 309 1 34 ILE H 1 34 ILE HB 0.000 . 3.500 3.256 3.256 3.256 . 0 0 "[ ]" 1 310 1 34 ILE HB 1 81 ILE H 0.000 . 5.000 5.024 5.024 5.024 0.024 1 0 "[ ]" 1 311 1 34 ILE MD 1 36 PHE QD 0.000 . 6.200 4.521 4.521 4.521 . 0 0 "[ ]" 1 312 1 34 ILE MD 1 36 PHE QE 0.000 . 7.000 4.569 4.569 4.569 . 0 0 "[ ]" 1 313 1 34 ILE QG 1 35 ASP H 0.000 . 3.700 3.077 3.077 3.077 . 0 0 "[ ]" 1 314 1 34 ILE QG 1 81 ILE H 0.000 . 6.000 4.375 4.375 4.375 . 0 0 "[ ]" 1 315 1 34 ILE H 1 34 ILE MG 0.000 . 2.700 1.809 1.809 1.809 . 0 0 "[ ]" 1 316 1 34 ILE MG 1 81 ILE MD 0.000 . 5.000 2.366 2.366 2.366 . 0 0 "[ ]" 1 317 1 34 ILE MG 1 81 ILE MG 0.000 . 5.000 2.017 2.017 2.017 . 0 0 "[ ]" 1 318 1 34 ILE MG 1 81 ILE H 0.000 . 3.500 2.703 2.703 2.703 . 0 0 "[ ]" 1 319 1 34 ILE H 1 35 ASP H 0.000 . 5.000 4.135 4.135 4.135 . 0 0 "[ ]" 1 320 1 34 ILE H 1 81 ILE QG 0.000 . 6.000 4.584 4.584 4.584 . 0 0 "[ ]" 1 321 1 34 ILE H 1 81 ILE H 0.000 . 3.500 2.466 2.466 2.466 . 0 0 "[ ]" 1 322 1 34 ILE H 1 82 GLU HA 0.000 . 3.500 3.569 3.569 3.569 0.069 1 0 "[ ]" 1 323 1 34 ILE H 1 82 GLU QG 0.000 . 6.000 4.931 4.931 4.931 . 0 0 "[ ]" 1 324 1 34 ILE H 1 83 ILE H 0.000 . 5.000 4.864 4.864 4.864 . 0 0 "[ ]" 1 325 1 35 ASP HA 1 36 PHE H 0.000 . 5.000 2.243 2.243 2.243 . 0 0 "[ ]" 1 326 1 35 ASP HA 1 80 SER HA 0.000 . 2.700 2.673 2.673 2.673 . 0 0 "[ ]" 1 327 1 35 ASP HA 1 80 SER QB 0.000 . 3.700 1.811 1.811 1.811 . 0 0 "[ ]" 1 328 1 35 ASP HA 1 81 ILE H 0.000 . 5.000 3.673 3.673 3.673 . 0 0 "[ ]" 1 329 1 35 ASP H 1 35 ASP QB 0.000 . 3.300 2.041 2.041 2.041 . 0 0 "[ ]" 1 330 1 36 PHE HA 1 37 GLY H 0.000 . 5.000 3.570 3.570 3.570 . 0 0 "[ ]" 1 331 1 36 PHE HA 1 81 ILE H 0.000 . 5.000 4.917 4.917 4.917 . 0 0 "[ ]" 1 332 1 36 PHE QB 1 37 GLY H 0.000 . 4.500 2.630 2.630 2.630 . 0 0 "[ ]" 1 333 1 36 PHE QB 1 38 GLY H 0.000 . 6.000 2.797 2.797 2.797 . 0 0 "[ ]" 1 334 1 36 PHE QB 1 80 SER HA 0.000 . 3.700 1.842 1.842 1.842 . 0 0 "[ ]" 1 335 1 36 PHE QB 1 81 ILE H 0.000 . 6.000 3.767 3.767 3.767 . 0 0 "[ ]" 1 336 1 36 PHE QD 1 38 GLY H 0.000 . 7.000 4.938 4.938 4.938 . 0 0 "[ ]" 1 337 1 36 PHE QD 1 39 TRP H 0.000 . 5.500 5.183 5.183 5.183 . 0 0 "[ ]" 1 338 1 36 PHE QD 1 78 VAL HB 0.000 . 4.700 3.111 3.111 3.111 . 0 0 "[ ]" 1 339 1 36 PHE QD 1 78 VAL MG1 0.000 . 7.000 1.743 1.743 1.743 . 0 0 "[ ]" 1 340 1 36 PHE QD 1 78 VAL MG2 0.000 . 7.000 3.732 3.732 3.732 . 0 0 "[ ]" 1 341 1 36 PHE QD 1 80 SER HA 0.000 . 7.000 3.320 3.320 3.320 . 0 0 "[ ]" 1 342 1 36 PHE QD 1 81 ILE MD 0.000 . 6.200 3.255 3.255 3.255 . 0 0 "[ ]" 1 343 1 36 PHE QD 1 81 ILE MG 0.000 . 8.500 4.893 4.893 4.893 . 0 0 "[ ]" 1 344 1 36 PHE QE 1 41 VAL H 0.000 . 7.000 6.523 6.523 6.523 . 0 0 "[ ]" 1 345 1 36 PHE H 1 37 GLY QA 0.000 . 6.000 4.231 4.231 4.231 . 0 0 "[ ]" 1 346 1 36 PHE H 1 37 GLY H 0.000 . 3.500 2.242 2.242 2.242 . 0 0 "[ ]" 1 347 1 36 PHE H 1 38 GLY H 0.000 . 5.000 3.630 3.630 3.630 . 0 0 "[ ]" 1 348 1 36 PHE H 1 78 VAL MG1 0.000 . 6.500 4.390 4.390 4.390 . 0 0 "[ ]" 1 349 1 36 PHE H 1 80 SER HA 0.000 . 3.500 1.861 1.861 1.861 . 0 0 "[ ]" 1 350 1 37 GLY H 1 38 GLY H 0.000 . 3.500 1.862 1.862 1.862 . 0 0 "[ ]" 1 351 1 37 GLY H 1 79 ASN HA 0.000 . 5.000 3.549 3.549 3.549 . 0 0 "[ ]" 1 352 1 37 GLY H 1 80 SER HA 0.000 . 5.000 3.873 3.873 3.873 . 0 0 "[ ]" 1 353 1 38 GLY QA 1 39 TRP H 0.000 . 6.000 2.895 2.895 2.895 . 0 0 "[ ]" 1 354 1 38 GLY QA 1 79 ASN HA 0.000 . 4.500 1.799 1.799 1.799 . 0 0 "[ ]" 1 355 1 38 GLY QA 1 80 SER H 0.000 . 6.000 4.953 4.953 4.953 . 0 0 "[ ]" 1 356 1 38 GLY H 1 39 TRP QB 0.000 . 6.000 4.657 4.657 4.657 . 0 0 "[ ]" 1 357 1 38 GLY H 1 39 TRP H 0.000 . 3.500 2.394 2.394 2.394 . 0 0 "[ ]" 1 358 1 38 GLY H 1 78 VAL MG1 0.000 . 6.500 4.800 4.800 4.800 . 0 0 "[ ]" 1 359 1 38 GLY H 1 79 ASN HA 0.000 . 3.500 2.428 2.428 2.428 . 0 0 "[ ]" 1 360 1 38 GLY H 1 79 ASN H 0.000 . 5.000 4.896 4.896 4.896 . 0 0 "[ ]" 1 361 1 39 TRP HA 1 40 TRP H 0.000 . 2.700 2.427 2.427 2.427 . 0 0 "[ ]" 1 362 1 39 TRP QB 1 40 TRP H 0.000 . 4.500 3.989 3.989 3.989 . 0 0 "[ ]" 1 363 1 39 TRP HE1 1 77 LYS HA 0.000 . 5.000 4.816 4.816 4.816 . 0 0 "[ ]" 1 364 1 39 TRP HE1 1 77 LYS QB 0.000 . 4.500 3.742 3.742 3.742 . 0 0 "[ ]" 1 365 1 39 TRP HE1 1 77 LYS QG 0.000 . 6.000 3.470 3.470 3.470 . 0 0 "[ ]" 1 366 1 39 TRP HZ2 1 76 PRO QB 0.000 . 6.000 4.269 4.269 4.269 . 0 0 "[ ]" 1 367 1 40 TRP HA 1 41 VAL H 0.000 . 2.700 2.561 2.561 2.561 . 0 0 "[ ]" 1 368 1 40 TRP QB 1 41 VAL H 0.000 . 4.500 3.944 3.944 3.944 . 0 0 "[ ]" 1 369 1 40 TRP QB 1 78 VAL H 0.000 . 6.000 4.662 4.662 4.662 . 0 0 "[ ]" 1 370 1 40 TRP H 1 41 VAL MG2 0.000 . 6.500 4.310 4.310 4.310 . 0 0 "[ ]" 1 371 1 40 TRP H 1 79 ASN QD 0.000 . 6.000 5.264 5.264 5.264 . 0 0 "[ ]" 1 372 1 41 VAL HA 1 42 ASP H 0.000 . 2.700 2.330 2.330 2.330 . 0 0 "[ ]" 1 373 1 41 VAL HA 1 43 LYS H 0.000 . 3.500 3.452 3.452 3.452 . 0 0 "[ ]" 1 374 1 41 VAL HA 1 70 THR MG 0.000 . 6.500 5.346 5.346 5.346 . 0 0 "[ ]" 1 375 1 41 VAL HA 1 71 TYR QD 0.000 . 7.000 4.187 4.187 4.187 . 0 0 "[ ]" 1 376 1 41 VAL HB 1 42 ASP H 0.000 . 5.000 4.090 4.090 4.090 . 0 0 "[ ]" 1 377 1 41 VAL HB 1 78 VAL H 0.000 . 5.000 2.681 2.681 2.681 . 0 0 "[ ]" 1 378 1 41 VAL MG1 1 42 ASP H 0.000 . 5.000 2.330 2.330 2.330 . 0 0 "[ ]" 1 379 1 41 VAL MG1 1 43 LYS H 0.000 . 4.200 3.208 3.208 3.208 . 0 0 "[ ]" 1 380 1 41 VAL MG1 1 71 TYR QD 0.000 . 6.200 2.195 2.195 2.195 . 0 0 "[ ]" 1 381 1 41 VAL MG1 1 71 TYR H 0.000 . 6.500 3.262 3.262 3.262 . 0 0 "[ ]" 1 382 1 41 VAL MG1 1 78 VAL MG2 0.000 . 8.000 2.993 2.993 2.993 . 0 0 "[ ]" 1 383 1 41 VAL MG2 1 42 ASP H 0.000 . 6.500 2.363 2.363 2.363 . 0 0 "[ ]" 1 384 1 41 VAL MG2 1 43 LYS H 0.000 . 6.500 2.909 2.909 2.909 . 0 0 "[ ]" 1 385 1 41 VAL MG2 1 70 THR HA 0.000 . 6.500 4.062 4.062 4.062 . 0 0 "[ ]" 1 386 1 41 VAL MG2 1 70 THR MG 0.000 . 6.500 4.090 4.090 4.090 . 0 0 "[ ]" 1 387 1 41 VAL MG2 1 71 TYR QD 0.000 . 7.000 1.719 1.719 1.719 . 0 0 "[ ]" 1 388 1 41 VAL MG2 1 78 VAL MG2 0.000 . 6.500 1.584 1.584 1.584 . 0 0 "[ ]" 1 389 1 41 VAL MG2 1 78 VAL H 0.000 . 5.000 3.450 3.450 3.450 . 0 0 "[ ]" 1 390 1 41 VAL H 1 42 ASP H 0.000 . 5.000 4.445 4.445 4.445 . 0 0 "[ ]" 1 391 1 41 VAL H 1 78 VAL HB 0.000 . 5.000 5.029 5.029 5.029 0.029 1 0 "[ ]" 1 392 1 41 VAL H 1 78 VAL MG2 0.000 . 5.000 3.899 3.899 3.899 . 0 0 "[ ]" 1 393 1 42 ASP HA 1 43 LYS H 0.000 . 5.000 3.284 3.284 3.284 . 0 0 "[ ]" 1 394 1 42 ASP HA 1 71 TYR QB 0.000 . 4.500 3.797 3.797 3.797 . 0 0 "[ ]" 1 395 1 42 ASP HA 1 71 TYR H 0.000 . 5.000 3.579 3.579 3.579 . 0 0 "[ ]" 1 396 1 42 ASP HA 1 72 PRO QB 0.000 . 6.000 5.110 5.110 5.110 . 0 0 "[ ]" 1 397 1 42 ASP QB 1 43 LYS H 0.000 . 4.500 3.273 3.273 3.273 . 0 0 "[ ]" 1 398 1 42 ASP QB 1 70 THR MG 0.000 . 7.500 4.021 4.021 4.021 . 0 0 "[ ]" 1 399 1 42 ASP QB 1 71 TYR QD 0.000 . 8.000 5.709 5.709 5.709 . 0 0 "[ ]" 1 400 1 42 ASP H 1 43 LYS H 0.000 . 2.700 1.378 1.378 1.378 . 0 0 "[ ]" 1 401 1 42 ASP H 1 70 THR MG 0.000 . 6.500 3.348 3.348 3.348 . 0 0 "[ ]" 1 402 1 43 LYS HA 1 44 ILE H 0.000 . 2.700 2.435 2.435 2.435 . 0 0 "[ ]" 1 403 1 43 LYS HA 1 70 THR HA 0.000 . 2.700 1.862 1.862 1.862 . 0 0 "[ ]" 1 404 1 43 LYS HA 1 70 THR MG 0.000 . 5.000 1.852 1.852 1.852 . 0 0 "[ ]" 1 405 1 43 LYS QB 1 70 THR HA 0.000 . 4.500 3.887 3.887 3.887 . 0 0 "[ ]" 1 406 1 43 LYS QB 1 70 THR MG 0.000 . 6.000 1.762 1.762 1.762 . 0 0 "[ ]" 1 407 1 43 LYS QB 1 71 TYR H 0.000 . 6.000 4.600 4.600 4.600 . 0 0 "[ ]" 1 408 1 43 LYS QD 1 44 ILE H 0.000 . 4.500 3.797 3.797 3.797 . 0 0 "[ ]" 1 409 1 43 LYS QD 1 45 SER HA 0.000 . 6.000 5.178 5.178 5.178 . 0 0 "[ ]" 1 410 1 43 LYS QD 1 68 ASP HA 0.000 . 6.000 5.348 5.348 5.348 . 0 0 "[ ]" 1 411 1 43 LYS H 1 44 ILE H 0.000 . 5.000 4.287 4.287 4.287 . 0 0 "[ ]" 1 412 1 43 LYS H 1 70 THR MG 0.000 . 5.000 2.666 2.666 2.666 . 0 0 "[ ]" 1 413 1 44 ILE HA 1 45 SER H 0.000 . 2.700 2.228 2.228 2.228 . 0 0 "[ ]" 1 414 1 44 ILE H 1 44 ILE HB 0.000 . 2.700 2.698 2.698 2.698 . 0 0 "[ ]" 1 415 1 44 ILE HB 1 45 SER H 0.000 . 5.000 4.245 4.245 4.245 . 0 0 "[ ]" 1 416 1 44 ILE MD 1 53 TYR QE 0.000 . 7.000 2.200 2.200 2.200 . 0 0 "[ ]" 1 417 1 44 ILE QG 1 71 TYR QD 0.000 . 8.000 4.195 4.195 4.195 . 0 0 "[ ]" 1 418 1 44 ILE MG 1 45 SER H 0.000 . 3.500 2.311 2.311 2.311 . 0 0 "[ ]" 1 419 1 44 ILE MG 1 46 THR H 0.000 . 3.500 2.786 2.786 2.786 . 0 0 "[ ]" 1 420 1 44 ILE MG 1 53 TYR QE 0.000 . 5.500 3.182 3.182 3.182 . 0 0 "[ ]" 1 421 1 44 ILE H 1 45 SER QB 0.000 . 6.000 4.793 4.793 4.793 . 0 0 "[ ]" 1 422 1 44 ILE H 1 45 SER H 0.000 . 5.000 4.293 4.293 4.293 . 0 0 "[ ]" 1 423 1 44 ILE H 1 68 ASP HA 0.000 . 5.000 4.044 4.044 4.044 . 0 0 "[ ]" 1 424 1 44 ILE H 1 69 ILE H 0.000 . 5.000 3.172 3.172 3.172 . 0 0 "[ ]" 1 425 1 44 ILE H 1 70 THR HA 0.000 . 5.000 3.380 3.380 3.380 . 0 0 "[ ]" 1 426 1 45 SER HA 1 46 THR H 0.000 . 2.700 2.440 2.440 2.440 . 0 0 "[ ]" 1 427 1 45 SER HA 1 68 ASP HA 0.000 . 5.000 2.527 2.527 2.527 . 0 0 "[ ]" 1 428 1 45 SER HA 1 68 ASP QB 0.000 . 6.000 3.166 3.166 3.166 . 0 0 "[ ]" 1 429 1 45 SER QB 1 46 THR H 0.000 . 6.000 4.062 4.062 4.062 . 0 0 "[ ]" 1 430 1 45 SER QB 1 68 ASP HA 0.000 . 6.000 4.251 4.251 4.251 . 0 0 "[ ]" 1 431 1 45 SER H 1 68 ASP QB 0.000 . 6.000 5.423 5.423 5.423 . 0 0 "[ ]" 1 432 1 46 THR HA 1 46 THR HB 0.000 . 2.700 2.463 2.463 2.463 . 0 0 "[ ]" 1 433 1 46 THR HA 1 47 GLY H 0.000 . 5.000 2.601 2.601 2.601 . 0 0 "[ ]" 1 434 1 46 THR HA 1 51 LEU H 0.000 . 5.000 5.070 5.070 5.070 0.070 1 0 "[ ]" 1 435 1 46 THR HB 1 49 ASN H 0.000 . 3.500 3.506 3.506 3.506 0.006 1 0 "[ ]" 1 436 1 46 THR HB 1 65 ARG HA 0.000 . 2.700 2.649 2.649 2.649 . 0 0 "[ ]" 1 437 1 46 THR HB 1 66 TRP H 0.000 . 5.000 4.633 4.633 4.633 . 0 0 "[ ]" 1 438 1 46 THR MG 1 49 ASN H 0.000 . 6.500 4.868 4.868 4.868 . 0 0 "[ ]" 1 439 1 46 THR MG 1 67 HIS H 0.000 . 6.500 4.540 4.540 4.540 . 0 0 "[ ]" 1 440 1 46 THR H 1 47 GLY H 0.000 . 3.500 3.625 3.625 3.625 0.125 1 0 "[ ]" 1 441 1 46 THR H 1 67 HIS H 0.000 . 3.500 3.514 3.514 3.514 0.014 1 0 "[ ]" 1 442 1 47 GLY QA 1 48 ASN H 0.000 . 3.700 2.592 2.592 2.592 . 0 0 "[ ]" 1 443 1 47 GLY QA 1 49 ASN H 0.000 . 6.000 4.018 4.018 4.018 . 0 0 "[ ]" 1 444 1 47 GLY QA 1 66 TRP HZ3 0.000 . 6.000 5.389 5.389 5.389 . 0 0 "[ ]" 1 445 1 47 GLY H 1 48 ASN H 0.000 . 5.000 3.479 3.479 3.479 . 0 0 "[ ]" 1 446 1 47 GLY H 1 66 TRP HA 0.000 . 5.000 4.426 4.426 4.426 . 0 0 "[ ]" 1 447 1 47 GLY H 1 66 TRP H 0.000 . 5.000 4.137 4.137 4.137 . 0 0 "[ ]" 1 448 1 47 GLY H 1 67 HIS H 0.000 . 5.000 4.010 4.010 4.010 . 0 0 "[ ]" 1 449 1 48 ASN HA 1 49 ASN H 0.000 . 3.500 3.315 3.315 3.315 . 0 0 "[ ]" 1 450 1 48 ASN HA 1 66 TRP HE1 0.000 . 5.000 5.140 5.140 5.140 0.140 1 0 "[ ]" 1 451 1 48 ASN HA 1 66 TRP HE3 0.000 . 5.000 3.326 3.326 3.326 . 0 0 "[ ]" 1 452 1 48 ASN HA 1 66 TRP HZ3 0.000 . 5.000 2.415 2.415 2.415 . 0 0 "[ ]" 1 453 1 48 ASN H 1 48 ASN QB 0.000 . 3.300 2.973 2.973 2.973 . 0 0 "[ ]" 1 454 1 48 ASN QB 1 66 TRP HE1 0.000 . 6.000 5.206 5.206 5.206 . 0 0 "[ ]" 1 455 1 48 ASN QB 1 66 TRP HE3 0.000 . 6.000 4.993 4.993 4.993 . 0 0 "[ ]" 1 456 1 48 ASN H 1 49 ASN HA 0.000 . 5.000 4.435 4.435 4.435 . 0 0 "[ ]" 1 457 1 48 ASN H 1 49 ASN QD 0.000 . 6.000 4.529 4.529 4.529 . 0 0 "[ ]" 1 458 1 48 ASN H 1 49 ASN H 0.000 . 3.500 1.628 1.628 1.628 . 0 0 "[ ]" 1 459 1 49 ASN HA 1 51 LEU H 0.000 . 5.000 5.083 5.083 5.083 0.083 1 0 "[ ]" 1 460 1 49 ASN HA 1 84 LEU H 0.000 . 5.000 5.134 5.134 5.134 0.134 1 0 "[ ]" 1 461 1 49 ASN QB 1 50 ASP H 0.000 . 4.500 3.113 3.113 3.113 . 0 0 "[ ]" 1 462 1 49 ASN QB 1 51 LEU H 0.000 . 6.000 3.879 3.879 3.879 . 0 0 "[ ]" 1 463 1 49 ASN QB 1 84 LEU H 0.000 . 6.000 4.180 4.180 4.180 . 0 0 "[ ]" 1 464 1 49 ASN H 1 49 ASN QD 0.000 . 4.500 3.755 3.755 3.755 . 0 0 "[ ]" 1 465 1 49 ASN H 1 50 ASP H 0.000 . 5.000 4.340 4.340 4.340 . 0 0 "[ ]" 1 466 1 49 ASN H 1 65 ARG HA 0.000 . 3.500 1.977 1.977 1.977 . 0 0 "[ ]" 1 467 1 49 ASN H 1 65 ARG QB 0.000 . 4.500 2.043 2.043 2.043 . 0 0 "[ ]" 1 468 1 49 ASN H 1 65 ARG QG 0.000 . 6.000 3.971 3.971 3.971 . 0 0 "[ ]" 1 469 1 49 ASN H 1 66 TRP H 0.000 . 5.000 3.124 3.124 3.124 . 0 0 "[ ]" 1 470 1 50 ASP HA 1 51 LEU H 0.000 . 2.700 2.332 2.332 2.332 . 0 0 "[ ]" 1 471 1 50 ASP HA 1 65 ARG HA 0.000 . 5.000 3.843 3.843 3.843 . 0 0 "[ ]" 1 472 1 50 ASP H 1 50 ASP QB 0.000 . 3.300 2.142 2.142 2.142 . 0 0 "[ ]" 1 473 1 50 ASP QB 1 51 LEU H 0.000 . 4.500 3.854 3.854 3.854 . 0 0 "[ ]" 1 474 1 50 ASP QB 1 65 ARG H 0.000 . 6.000 3.914 3.914 3.914 . 0 0 "[ ]" 1 475 1 50 ASP QB 1 84 LEU MD1 0.000 . 6.000 3.378 3.378 3.378 . 0 0 "[ ]" 1 476 1 50 ASP QB 1 84 LEU H 0.000 . 4.500 2.571 2.571 2.571 . 0 0 "[ ]" 1 477 1 50 ASP H 1 51 LEU H 0.000 . 5.000 4.047 4.047 4.047 . 0 0 "[ ]" 1 478 1 50 ASP H 1 64 ASP QB 0.000 . 6.000 5.481 5.481 5.481 . 0 0 "[ ]" 1 479 1 50 ASP H 1 83 ILE QG 0.000 . 6.000 4.183 4.183 4.183 . 0 0 "[ ]" 1 480 1 50 ASP H 1 83 ILE MG 0.000 . 3.500 2.743 2.743 2.743 . 0 0 "[ ]" 1 481 1 50 ASP H 1 84 LEU QB 0.000 . 6.000 5.427 5.427 5.427 . 0 0 "[ ]" 1 482 1 50 ASP H 1 84 LEU QD 0.000 . 5.000 3.153 3.153 3.153 . 0 0 "[ ]" 1 483 1 50 ASP H 1 84 LEU H 0.000 . 5.000 3.295 3.295 3.295 . 0 0 "[ ]" 1 484 1 51 LEU HA 1 51 LEU HG 0.000 . 3.500 3.322 3.322 3.322 . 0 0 "[ ]" 1 485 1 51 LEU HA 1 52 ILE H 0.000 . 2.700 2.174 2.174 2.174 . 0 0 "[ ]" 1 486 1 51 LEU HA 1 63 VAL H 0.000 . 5.000 4.550 4.550 4.550 . 0 0 "[ ]" 1 487 1 51 LEU HA 1 83 ILE HA 0.000 . 3.500 1.600 1.600 1.600 . 0 0 "[ ]" 1 488 1 51 LEU HA 1 84 LEU H 0.000 . 3.500 3.535 3.535 3.535 0.035 1 0 "[ ]" 1 489 1 51 LEU H 1 51 LEU QB 0.000 . 3.300 2.035 2.035 2.035 . 0 0 "[ ]" 1 490 1 51 LEU QB 1 52 ILE H 0.000 . 6.000 3.616 3.616 3.616 . 0 0 "[ ]" 1 491 1 51 LEU QB 1 53 TYR H 0.000 . 6.000 5.472 5.472 5.472 . 0 0 "[ ]" 1 492 1 51 LEU QB 1 63 VAL H 0.000 . 4.500 3.568 3.568 3.568 . 0 0 "[ ]" 1 493 1 51 LEU QB 1 84 LEU H 0.000 . 6.000 5.021 5.021 5.021 . 0 0 "[ ]" 1 494 1 51 LEU QD 1 53 TYR QD 0.000 . 7.900 1.817 1.817 1.817 . 0 0 "[ ]" 1 495 1 51 LEU QD 1 53 TYR QE 0.000 . 7.100 2.381 2.381 2.381 . 0 0 "[ ]" 1 496 1 51 LEU MD1 1 53 TYR QB 0.000 . 7.500 2.722 2.722 2.722 . 0 0 "[ ]" 1 497 1 51 LEU MD1 1 53 TYR QD 0.000 . 8.500 1.852 1.852 1.852 . 0 0 "[ ]" 1 498 1 51 LEU MD1 1 81 ILE HA 0.000 . 5.000 2.817 2.817 2.817 . 0 0 "[ ]" 1 499 1 51 LEU MD1 1 81 ILE MD 0.000 . 8.000 2.778 2.778 2.778 . 0 0 "[ ]" 1 500 1 51 LEU MD1 1 81 ILE QG 0.000 . 6.000 1.964 1.964 1.964 . 0 0 "[ ]" 1 501 1 51 LEU MD1 1 81 ILE MG 0.000 . 5.000 1.712 1.712 1.712 . 0 0 "[ ]" 1 502 1 51 LEU MD1 1 82 GLU HA 0.000 . 5.000 4.194 4.194 4.194 . 0 0 "[ ]" 1 503 1 51 LEU MD1 1 83 ILE HA 0.000 . 6.500 2.992 2.992 2.992 . 0 0 "[ ]" 1 504 1 51 LEU H 1 51 LEU MD2 0.000 . 5.000 4.100 4.100 4.100 . 0 0 "[ ]" 1 505 1 51 LEU MD2 1 53 TYR H 0.000 . 6.500 4.458 4.458 4.458 . 0 0 "[ ]" 1 506 1 51 LEU MD2 1 61 VAL MG1 0.000 . 6.500 4.290 4.290 4.290 . 0 0 "[ ]" 1 507 1 51 LEU MD2 1 62 ARG HA 0.000 . 6.500 5.418 5.418 5.418 . 0 0 "[ ]" 1 508 1 51 LEU H 1 51 LEU HG 0.000 . 5.000 3.948 3.948 3.948 . 0 0 "[ ]" 1 509 1 51 LEU H 1 52 ILE H 0.000 . 5.000 4.605 4.605 4.605 . 0 0 "[ ]" 1 510 1 51 LEU H 1 62 ARG HA 0.000 . 5.000 4.833 4.833 4.833 . 0 0 "[ ]" 1 511 1 51 LEU H 1 63 VAL HA 0.000 . 5.000 4.980 4.980 4.980 . 0 0 "[ ]" 1 512 1 51 LEU H 1 63 VAL MG2 0.000 . 6.500 4.651 4.651 4.651 . 0 0 "[ ]" 1 513 1 51 LEU H 1 63 VAL H 0.000 . 3.500 3.596 3.596 3.596 0.096 1 0 "[ ]" 1 514 1 51 LEU H 1 65 ARG HA 0.000 . 5.000 3.931 3.931 3.931 . 0 0 "[ ]" 1 515 1 51 LEU H 1 65 ARG QG 0.000 . 6.000 5.231 5.231 5.231 . 0 0 "[ ]" 1 516 1 52 ILE HA 1 52 ILE MG 0.000 . 3.500 2.273 2.273 2.273 . 0 0 "[ ]" 1 517 1 52 ILE HA 1 53 TYR H 0.000 . 2.700 2.182 2.182 2.182 . 0 0 "[ ]" 1 518 1 52 ILE HA 1 61 VAL H 0.000 . 5.000 4.044 4.044 4.044 . 0 0 "[ ]" 1 519 1 52 ILE HA 1 62 ARG HA 0.000 . 2.700 1.752 1.752 1.752 . 0 0 "[ ]" 1 520 1 52 ILE HA 1 62 ARG H 0.000 . 3.500 3.587 3.587 3.587 0.087 1 0 "[ ]" 1 521 1 52 ILE HA 1 63 VAL H 0.000 . 3.500 3.117 3.117 3.117 . 0 0 "[ ]" 1 522 1 52 ILE H 1 52 ILE HB 0.000 . 2.700 2.656 2.656 2.656 . 0 0 "[ ]" 1 523 1 52 ILE H 1 52 ILE MD 0.000 . 5.000 4.167 4.167 4.167 . 0 0 "[ ]" 1 524 1 52 ILE MD 1 54 TYR QD 0.000 . 8.500 5.743 5.743 5.743 . 0 0 "[ ]" 1 525 1 52 ILE MD 1 54 TYR QE 0.000 . 6.200 4.598 4.598 4.598 . 0 0 "[ ]" 1 526 1 52 ILE MD 1 60 SER QB 0.000 . 7.500 3.769 3.769 3.769 . 0 0 "[ ]" 1 527 1 52 ILE H 1 52 ILE QG 0.000 . 4.500 2.685 2.685 2.685 . 0 0 "[ ]" 1 528 1 52 ILE QG 1 53 TYR H 0.000 . 6.000 4.343 4.343 4.343 . 0 0 "[ ]" 1 529 1 52 ILE QG 1 62 ARG HA 0.000 . 4.500 1.609 1.609 1.609 . 0 0 "[ ]" 1 530 1 52 ILE QG 1 63 VAL MG2 0.000 . 7.500 5.309 5.309 5.309 . 0 0 "[ ]" 1 531 1 52 ILE QG 1 84 LEU H 0.000 . 6.000 3.757 3.757 3.757 . 0 0 "[ ]" 1 532 1 52 ILE MG 1 53 TYR H 0.000 . 3.500 2.835 2.835 2.835 . 0 0 "[ ]" 1 533 1 52 ILE MG 1 54 TYR HA 0.000 . 5.000 4.083 4.083 4.083 . 0 0 "[ ]" 1 534 1 52 ILE MG 1 54 TYR QE 0.000 . 7.000 3.460 3.460 3.460 . 0 0 "[ ]" 1 535 1 52 ILE MG 1 60 SER HA 0.000 . 5.000 2.259 2.259 2.259 . 0 0 "[ ]" 1 536 1 52 ILE MG 1 60 SER QB 0.000 . 4.500 2.518 2.518 2.518 . 0 0 "[ ]" 1 537 1 52 ILE MG 1 60 SER H 0.000 . 5.000 4.251 4.251 4.251 . 0 0 "[ ]" 1 538 1 52 ILE MG 1 61 VAL H 0.000 . 3.500 3.016 3.016 3.016 . 0 0 "[ ]" 1 539 1 52 ILE MG 1 84 LEU MD1 0.000 . 5.000 3.518 3.518 3.518 . 0 0 "[ ]" 1 540 1 52 ILE H 1 53 TYR QB 0.000 . 6.000 5.024 5.024 5.024 . 0 0 "[ ]" 1 541 1 52 ILE H 1 82 GLU QB 0.000 . 4.500 3.358 3.358 3.358 . 0 0 "[ ]" 1 542 1 52 ILE H 1 82 GLU H 0.000 . 3.500 2.541 2.541 2.541 . 0 0 "[ ]" 1 543 1 52 ILE H 1 83 ILE HA 0.000 . 5.000 2.562 2.562 2.562 . 0 0 "[ ]" 1 544 1 52 ILE H 1 84 LEU H 0.000 . 5.000 4.582 4.582 4.582 . 0 0 "[ ]" 1 545 1 53 TYR HA 1 54 TYR QD 0.000 . 5.500 3.348 3.348 3.348 . 0 0 "[ ]" 1 546 1 53 TYR HA 1 54 TYR H 0.000 . 2.700 2.178 2.178 2.178 . 0 0 "[ ]" 1 547 1 53 TYR HA 1 80 SER H 0.000 . 5.000 4.293 4.293 4.293 . 0 0 "[ ]" 1 548 1 53 TYR HA 1 81 ILE HA 0.000 . 2.700 1.983 1.983 1.983 . 0 0 "[ ]" 1 549 1 53 TYR HA 1 81 ILE MG 0.000 . 5.000 4.114 4.114 4.114 . 0 0 "[ ]" 1 550 1 53 TYR QB 1 54 TYR H 0.000 . 4.500 3.503 3.503 3.503 . 0 0 "[ ]" 1 551 1 53 TYR QB 1 78 VAL MG1 0.000 . 7.500 1.809 1.809 1.809 . 0 0 "[ ]" 1 552 1 53 TYR QB 1 78 VAL MG2 0.000 . 7.500 2.834 2.834 2.834 . 0 0 "[ ]" 1 553 1 53 TYR QB 1 80 SER H 0.000 . 6.000 4.220 4.220 4.220 . 0 0 "[ ]" 1 554 1 53 TYR QB 1 81 ILE HA 0.000 . 4.500 2.651 2.651 2.651 . 0 0 "[ ]" 1 555 1 53 TYR QB 1 81 ILE MG 0.000 . 6.000 3.880 3.880 3.880 . 0 0 "[ ]" 1 556 1 53 TYR H 1 53 TYR QD 0.000 . 5.500 2.207 2.207 2.207 . 0 0 "[ ]" 1 557 1 53 TYR QD 1 61 VAL HB 0.000 . 7.000 2.989 2.989 2.989 . 0 0 "[ ]" 1 558 1 53 TYR QD 1 61 VAL MG1 0.000 . 7.000 3.236 3.236 3.236 . 0 0 "[ ]" 1 559 1 53 TYR QD 1 61 VAL MG2 0.000 . 7.000 3.429 3.429 3.429 . 0 0 "[ ]" 1 560 1 53 TYR QD 1 78 VAL MG2 0.000 . 7.000 2.764 2.764 2.764 . 0 0 "[ ]" 1 561 1 53 TYR QD 1 81 ILE MG 0.000 . 8.500 3.971 3.971 3.971 . 0 0 "[ ]" 1 562 1 53 TYR QE 1 61 VAL HB 0.000 . 5.500 3.331 3.331 3.331 . 0 0 "[ ]" 1 563 1 53 TYR QE 1 61 VAL MG1 0.000 . 6.200 2.113 2.113 2.113 . 0 0 "[ ]" 1 564 1 53 TYR QE 1 61 VAL MG2 0.000 . 6.200 3.474 3.474 3.474 . 0 0 "[ ]" 1 565 1 53 TYR QE 1 63 VAL MG2 0.000 . 6.200 2.371 2.371 2.371 . 0 0 "[ ]" 1 566 1 53 TYR QE 1 78 VAL MG2 0.000 . 7.000 4.415 4.415 4.415 . 0 0 "[ ]" 1 567 1 53 TYR H 1 60 SER HA 0.000 . 5.000 3.945 3.945 3.945 . 0 0 "[ ]" 1 568 1 53 TYR H 1 60 SER QB 0.000 . 6.000 5.384 5.384 5.384 . 0 0 "[ ]" 1 569 1 53 TYR H 1 61 VAL HB 0.000 . 5.000 2.395 2.395 2.395 . 0 0 "[ ]" 1 570 1 53 TYR H 1 61 VAL MG2 0.000 . 6.500 3.972 3.972 3.972 . 0 0 "[ ]" 1 571 1 53 TYR H 1 61 VAL H 0.000 . 3.500 2.723 2.723 2.723 . 0 0 "[ ]" 1 572 1 53 TYR H 1 62 ARG HA 0.000 . 3.500 3.741 3.741 3.741 0.241 1 0 "[ ]" 1 573 1 53 TYR H 1 63 VAL H 0.000 . 5.000 4.384 4.384 4.384 . 0 0 "[ ]" 1 574 1 54 TYR HA 1 55 ASP H 0.000 . 2.700 2.293 2.293 2.293 . 0 0 "[ ]" 1 575 1 54 TYR HA 1 60 SER HA 0.000 . 5.000 2.361 2.361 2.361 . 0 0 "[ ]" 1 576 1 54 TYR HA 1 60 SER QB 0.000 . 6.000 3.825 3.825 3.825 . 0 0 "[ ]" 1 577 1 54 TYR QB 1 55 ASP H 0.000 . 6.000 3.755 3.755 3.755 . 0 0 "[ ]" 1 578 1 54 TYR QB 1 80 SER H 0.000 . 3.700 2.914 2.914 2.914 . 0 0 "[ ]" 1 579 1 54 TYR H 1 54 TYR QD 0.000 . 5.500 1.858 1.858 1.858 . 0 0 "[ ]" 1 580 1 54 TYR QD 1 55 ASP H 0.000 . 7.000 4.727 4.727 4.727 . 0 0 "[ ]" 1 581 1 54 TYR QD 1 60 SER HA 0.000 . 7.000 3.332 3.332 3.332 . 0 0 "[ ]" 1 582 1 54 TYR QD 1 60 SER QB 0.000 . 6.500 3.113 3.113 3.113 . 0 0 "[ ]" 1 583 1 54 TYR QD 1 80 SER HB3 0.000 . 7.000 4.712 4.712 4.712 . 0 0 "[ ]" 1 584 1 54 TYR QD 1 80 SER HB2 0.000 . 7.000 3.797 3.797 3.797 . 0 0 "[ ]" 1 585 1 54 TYR QD 1 81 ILE HA 0.000 . 7.000 4.005 4.005 4.005 . 0 0 "[ ]" 1 586 1 54 TYR H 1 54 TYR QE 0.000 . 5.500 3.908 3.908 3.908 . 0 0 "[ ]" 1 587 1 54 TYR QE 1 55 ASP H 0.000 . 7.000 6.496 6.496 6.496 . 0 0 "[ ]" 1 588 1 54 TYR QE 1 60 SER QB 0.000 . 6.500 2.347 2.347 2.347 . 0 0 "[ ]" 1 589 1 54 TYR QE 1 82 GLU H 0.000 . 7.000 5.175 5.175 5.175 . 0 0 "[ ]" 1 590 1 54 TYR H 1 78 VAL MG1 0.000 . 5.000 3.301 3.301 3.301 . 0 0 "[ ]" 1 591 1 54 TYR H 1 78 VAL MG2 0.000 . 6.500 5.353 5.353 5.353 . 0 0 "[ ]" 1 592 1 54 TYR H 1 80 SER H 0.000 . 3.500 3.419 3.419 3.419 . 0 0 "[ ]" 1 593 1 55 ASP HA 1 56 ALA H 0.000 . 2.700 2.555 2.555 2.555 . 0 0 "[ ]" 1 594 1 55 ASP HA 1 57 ASN H 0.000 . 5.000 4.217 4.217 4.217 . 0 0 "[ ]" 1 595 1 55 ASP HA 1 77 LYS QB 0.000 . 6.000 4.623 4.623 4.623 . 0 0 "[ ]" 1 596 1 55 ASP HA 1 78 VAL HA 0.000 . 2.700 1.849 1.849 1.849 . 0 0 "[ ]" 1 597 1 55 ASP HA 1 78 VAL MG1 0.000 . 6.500 3.137 3.137 3.137 . 0 0 "[ ]" 1 598 1 55 ASP HA 1 78 VAL MG2 0.000 . 5.000 2.326 2.326 2.326 . 0 0 "[ ]" 1 599 1 55 ASP HA 1 78 VAL H 0.000 . 5.000 3.617 3.617 3.617 . 0 0 "[ ]" 1 600 1 55 ASP HA 1 79 ASN H 0.000 . 3.500 3.521 3.521 3.521 0.021 1 0 "[ ]" 1 601 1 55 ASP HA 1 80 SER H 0.000 . 5.000 5.033 5.033 5.033 0.033 1 0 "[ ]" 1 602 1 55 ASP QB 1 56 ALA H 0.000 . 3.700 2.868 2.868 2.868 . 0 0 "[ ]" 1 603 1 55 ASP QB 1 57 ASN H 0.000 . 6.000 2.465 2.465 2.465 . 0 0 "[ ]" 1 604 1 55 ASP QB 1 78 VAL HA 0.000 . 6.000 4.096 4.096 4.096 . 0 0 "[ ]" 1 605 1 55 ASP H 1 58 GLY QA 0.000 . 6.000 4.042 4.042 4.042 . 0 0 "[ ]" 1 606 1 55 ASP H 1 58 GLY H 0.000 . 5.000 4.318 4.318 4.318 . 0 0 "[ ]" 1 607 1 55 ASP H 1 60 SER HA 0.000 . 5.000 4.074 4.074 4.074 . 0 0 "[ ]" 1 608 1 55 ASP H 1 60 SER QB 0.000 . 6.000 5.429 5.429 5.429 . 0 0 "[ ]" 1 609 1 55 ASP H 1 78 VAL HA 0.000 . 5.000 4.110 4.110 4.110 . 0 0 "[ ]" 1 610 1 55 ASP H 1 78 VAL MG1 0.000 . 6.500 4.115 4.115 4.115 . 0 0 "[ ]" 1 611 1 55 ASP H 1 78 VAL MG2 0.000 . 6.500 4.418 4.418 4.418 . 0 0 "[ ]" 1 612 1 56 ALA HA 1 57 ASN H 0.000 . 3.500 3.521 3.521 3.521 0.021 1 0 "[ ]" 1 613 1 56 ALA HA 1 58 GLY H 0.000 . 5.000 3.560 3.560 3.560 . 0 0 "[ ]" 1 614 1 56 ALA HA 1 77 LYS HA 0.000 . 5.000 4.553 4.553 4.553 . 0 0 "[ ]" 1 615 1 56 ALA HA 1 79 ASN QD 0.000 . 4.500 2.554 2.554 2.554 . 0 0 "[ ]" 1 616 1 56 ALA MB 1 57 ASN H 0.000 . 5.000 2.755 2.755 2.755 . 0 0 "[ ]" 1 617 1 56 ALA MB 1 58 GLY H 0.000 . 6.500 4.212 4.212 4.212 . 0 0 "[ ]" 1 618 1 56 ALA MB 1 79 ASN QD 0.000 . 7.500 3.977 3.977 3.977 . 0 0 "[ ]" 1 619 1 56 ALA H 1 57 ASN QB 0.000 . 6.000 4.829 4.829 4.829 . 0 0 "[ ]" 1 620 1 56 ALA H 1 57 ASN H 0.000 . 3.500 3.008 3.008 3.008 . 0 0 "[ ]" 1 621 1 56 ALA H 1 76 PRO QB 0.000 . 6.000 5.486 5.486 5.486 . 0 0 "[ ]" 1 622 1 56 ALA H 1 78 VAL HA 0.000 . 3.500 3.578 3.578 3.578 0.078 1 0 "[ ]" 1 623 1 56 ALA H 1 78 VAL H 0.000 . 5.000 3.920 3.920 3.920 . 0 0 "[ ]" 1 624 1 57 ASN HA 1 58 GLY H 0.000 . 3.500 3.135 3.135 3.135 . 0 0 "[ ]" 1 625 1 57 ASN H 1 57 ASN QB 0.000 . 3.300 2.149 2.149 2.149 . 0 0 "[ ]" 1 626 1 57 ASN QB 1 58 GLY H 0.000 . 6.000 3.603 3.603 3.603 . 0 0 "[ ]" 1 627 1 57 ASN QB 1 59 ASP HA 0.000 . 3.700 3.607 3.607 3.607 . 0 0 "[ ]" 1 628 1 57 ASN QB 1 59 ASP H 0.000 . 4.500 2.804 2.804 2.804 . 0 0 "[ ]" 1 629 1 57 ASN QD 1 59 ASP H 0.000 . 6.000 4.745 4.745 4.745 . 0 0 "[ ]" 1 630 1 57 ASN H 1 58 GLY QA 0.000 . 6.000 4.477 4.477 4.477 . 0 0 "[ ]" 1 631 1 57 ASN H 1 58 GLY H 0.000 . 2.700 2.772 2.772 2.772 0.072 1 0 "[ ]" 1 632 1 57 ASN H 1 59 ASP H 0.000 . 3.500 3.019 3.019 3.019 . 0 0 "[ ]" 1 633 1 58 GLY QA 1 59 ASP H 0.000 . 4.500 2.758 2.758 2.758 . 0 0 "[ ]" 1 634 1 58 GLY H 1 59 ASP H 0.000 . 2.700 2.512 2.512 2.512 . 0 0 "[ ]" 1 635 1 58 GLY H 1 75 PRO QB 0.000 . 6.000 5.205 5.205 5.205 . 0 0 "[ ]" 1 636 1 58 GLY H 1 79 ASN QB 0.000 . 6.000 4.812 4.812 4.812 . 0 0 "[ ]" 1 637 1 59 ASP HA 1 60 SER H 0.000 . 2.700 2.409 2.409 2.409 . 0 0 "[ ]" 1 638 1 59 ASP H 1 59 ASP QB 0.000 . 3.300 1.944 1.944 1.944 . 0 0 "[ ]" 1 639 1 59 ASP QB 1 60 SER HA 0.000 . 6.000 4.749 4.749 4.749 . 0 0 "[ ]" 1 640 1 59 ASP QB 1 60 SER H 0.000 . 4.500 3.961 3.961 3.961 . 0 0 "[ ]" 1 641 1 59 ASP H 1 60 SER QB 0.000 . 6.000 5.516 5.516 5.516 . 0 0 "[ ]" 1 642 1 59 ASP H 1 61 VAL H 0.000 . 5.000 5.144 5.144 5.144 0.144 1 0 "[ ]" 1 643 1 60 SER HA 1 61 VAL HA 0.000 . 5.000 4.609 4.609 4.609 . 0 0 "[ ]" 1 644 1 60 SER HA 1 61 VAL MG2 0.000 . 6.500 4.283 4.283 4.283 . 0 0 "[ ]" 1 645 1 60 SER HA 1 61 VAL H 0.000 . 2.700 2.364 2.364 2.364 . 0 0 "[ ]" 1 646 1 60 SER QB 1 61 VAL H 0.000 . 4.500 4.036 4.036 4.036 . 0 0 "[ ]" 1 647 1 60 SER H 1 61 VAL MG2 0.000 . 6.500 4.659 4.659 4.659 . 0 0 "[ ]" 1 648 1 61 VAL HA 1 62 ARG H 0.000 . 2.700 2.248 2.248 2.248 . 0 0 "[ ]" 1 649 1 61 VAL HA 1 63 VAL H 0.000 . 5.000 5.139 5.139 5.139 0.139 1 0 "[ ]" 1 650 1 61 VAL H 1 61 VAL HB 0.000 . 3.500 2.285 2.285 2.285 . 0 0 "[ ]" 1 651 1 61 VAL MG1 1 62 ARG H 0.000 . 4.200 3.473 3.473 3.473 . 0 0 "[ ]" 1 652 1 61 VAL MG1 1 63 VAL MG2 0.000 . 6.500 2.124 2.124 2.124 . 0 0 "[ ]" 1 653 1 61 VAL MG1 1 63 VAL H 0.000 . 6.500 3.257 3.257 3.257 . 0 0 "[ ]" 1 654 1 62 ARG HA 1 63 VAL H 0.000 . 2.700 2.307 2.307 2.307 . 0 0 "[ ]" 1 655 1 62 ARG H 1 62 ARG QB 0.000 . 3.300 2.153 2.153 2.153 . 0 0 "[ ]" 1 656 1 62 ARG QB 1 63 VAL H 0.000 . 4.500 4.042 4.042 4.042 . 0 0 "[ ]" 1 657 1 62 ARG QD 1 63 VAL H 0.000 . 6.000 4.182 4.182 4.182 . 0 0 "[ ]" 1 658 1 62 ARG QG 1 63 VAL H 0.000 . 4.500 3.465 3.465 3.465 . 0 0 "[ ]" 1 659 1 63 VAL HA 1 64 ASP H 0.000 . 2.700 2.371 2.371 2.371 . 0 0 "[ ]" 1 660 1 63 VAL H 1 63 VAL HB 0.000 . 3.500 2.210 2.210 2.210 . 0 0 "[ ]" 1 661 1 63 VAL HB 1 64 ASP H 0.000 . 5.000 4.120 4.120 4.120 . 0 0 "[ ]" 1 662 1 63 VAL MG1 1 64 ASP H 0.000 . 5.000 2.253 2.253 2.253 . 0 0 "[ ]" 1 663 1 63 VAL MG1 1 65 ARG QB 0.000 . 7.500 4.598 4.598 4.598 . 0 0 "[ ]" 1 664 1 63 VAL MG1 1 67 HIS QB 0.000 . 6.000 1.590 1.590 1.590 . 0 0 "[ ]" 1 665 1 63 VAL MG2 1 64 ASP H 0.000 . 6.500 3.808 3.808 3.808 . 0 0 "[ ]" 1 666 1 63 VAL H 1 64 ASP HA 0.000 . 5.000 5.126 5.126 5.126 0.126 1 0 "[ ]" 1 667 1 63 VAL H 1 64 ASP H 0.000 . 5.000 4.631 4.631 4.631 . 0 0 "[ ]" 1 668 1 64 ASP HA 1 65 ARG H 0.000 . 2.700 2.373 2.373 2.373 . 0 0 "[ ]" 1 669 1 64 ASP QB 1 65 ARG H 0.000 . 4.500 3.888 3.888 3.888 . 0 0 "[ ]" 1 670 1 64 ASP H 1 65 ARG QD 0.000 . 6.000 5.219 5.219 5.219 . 0 0 "[ ]" 1 671 1 64 ASP H 1 65 ARG H 0.000 . 3.500 3.681 3.681 3.681 0.181 1 0 "[ ]" 1 672 1 65 ARG HA 1 66 TRP H 0.000 . 3.500 2.553 2.553 2.553 . 0 0 "[ ]" 1 673 1 65 ARG HA 1 67 HIS H 0.000 . 5.000 3.917 3.917 3.917 . 0 0 "[ ]" 1 674 1 65 ARG QB 1 66 TRP H 0.000 . 6.000 2.245 2.245 2.245 . 0 0 "[ ]" 1 675 1 65 ARG QD 1 66 TRP HE1 0.000 . 6.000 5.522 5.522 5.522 . 0 0 "[ ]" 1 676 1 65 ARG HD3 1 66 TRP HZ3 0.000 . 5.000 3.232 3.232 3.232 . 0 0 "[ ]" 1 677 1 65 ARG HD2 1 66 TRP HZ3 0.000 . 5.000 4.324 4.324 4.324 . 0 0 "[ ]" 1 678 1 65 ARG H 1 65 ARG QG 0.000 . 3.700 2.944 2.944 2.944 . 0 0 "[ ]" 1 679 1 65 ARG QG 1 66 TRP H 0.000 . 6.000 4.086 4.086 4.086 . 0 0 "[ ]" 1 680 1 65 ARG HG3 1 66 TRP HZ3 0.000 . 5.000 4.317 4.317 4.317 . 0 0 "[ ]" 1 681 1 65 ARG HG2 1 66 TRP HZ3 0.000 . 5.000 2.783 2.783 2.783 . 0 0 "[ ]" 1 682 1 66 TRP HA 1 67 HIS H 0.000 . 3.500 2.647 2.647 2.647 . 0 0 "[ ]" 1 683 1 66 TRP QB 1 66 TRP HZ3 0.000 . 6.000 4.889 4.889 4.889 . 0 0 "[ ]" 1 684 1 66 TRP H 1 66 TRP HZ3 0.000 . 5.000 4.259 4.259 4.259 . 0 0 "[ ]" 1 685 1 66 TRP H 1 67 HIS H 0.000 . 5.000 3.258 3.258 3.258 . 0 0 "[ ]" 1 686 1 67 HIS HA 1 68 ASP H 0.000 . 2.700 2.229 2.229 2.229 . 0 0 "[ ]" 1 687 1 67 HIS QB 1 68 ASP H 0.000 . 4.500 3.395 3.395 3.395 . 0 0 "[ ]" 1 688 1 67 HIS QB 1 69 ILE H 0.000 . 6.000 4.425 4.425 4.425 . 0 0 "[ ]" 1 689 1 68 ASP HA 1 69 ILE H 0.000 . 2.700 2.250 2.250 2.250 . 0 0 "[ ]" 1 690 1 68 ASP QB 1 69 ILE H 0.000 . 6.000 3.666 3.666 3.666 . 0 0 "[ ]" 1 691 1 68 ASP H 1 69 ILE H 0.000 . 5.000 4.201 4.201 4.201 . 0 0 "[ ]" 1 692 1 69 ILE HA 1 69 ILE HB 0.000 . 2.700 2.772 2.772 2.772 0.072 1 0 "[ ]" 1 693 1 69 ILE HA 1 69 ILE MG 0.000 . 3.500 3.021 3.021 3.021 . 0 0 "[ ]" 1 694 1 69 ILE HA 1 70 THR MG 0.000 . 6.500 5.289 5.289 5.289 . 0 0 "[ ]" 1 695 1 69 ILE HA 1 70 THR H 0.000 . 2.700 2.400 2.400 2.400 . 0 0 "[ ]" 1 696 1 69 ILE H 1 69 ILE HB 0.000 . 3.500 2.399 2.399 2.399 . 0 0 "[ ]" 1 697 1 69 ILE HB 1 70 THR H 0.000 . 5.000 4.253 4.253 4.253 . 0 0 "[ ]" 1 698 1 69 ILE HB 1 71 TYR QE 0.000 . 7.000 5.852 5.852 5.852 . 0 0 "[ ]" 1 699 1 69 ILE H 1 69 ILE MD 0.000 . 5.000 4.149 4.149 4.149 . 0 0 "[ ]" 1 700 1 69 ILE MD 1 71 TYR QE 0.000 . 6.200 4.281 4.281 4.281 . 0 0 "[ ]" 1 701 1 69 ILE H 1 69 ILE QG 0.000 . 4.500 3.968 3.968 3.968 . 0 0 "[ ]" 1 702 1 69 ILE QG 1 70 THR H 0.000 . 6.000 3.559 3.559 3.559 . 0 0 "[ ]" 1 703 1 69 ILE HG13 1 71 TYR QE 0.000 . 7.000 5.285 5.285 5.285 . 0 0 "[ ]" 1 704 1 69 ILE HG12 1 71 TYR QE 0.000 . 7.000 6.543 6.543 6.543 . 0 0 "[ ]" 1 705 1 69 ILE H 1 69 ILE MG 0.000 . 3.500 2.777 2.777 2.777 . 0 0 "[ ]" 1 706 1 69 ILE MG 1 70 THR H 0.000 . 3.500 2.565 2.565 2.565 . 0 0 "[ ]" 1 707 1 69 ILE MG 1 71 TYR QE 0.000 . 4.700 3.147 3.147 3.147 . 0 0 "[ ]" 1 708 1 69 ILE H 1 70 THR HA 0.000 . 5.000 4.934 4.934 4.934 . 0 0 "[ ]" 1 709 1 69 ILE H 1 70 THR H 0.000 . 5.000 4.535 4.535 4.535 . 0 0 "[ ]" 1 710 1 70 THR HA 1 71 TYR QB 0.000 . 6.000 4.107 4.107 4.107 . 0 0 "[ ]" 1 711 1 70 THR HA 1 71 TYR QD 0.000 . 7.000 3.418 3.418 3.418 . 0 0 "[ ]" 1 712 1 70 THR HA 1 71 TYR H 0.000 . 2.700 2.732 2.732 2.732 0.032 1 0 "[ ]" 1 713 1 70 THR HB 1 71 TYR H 0.000 . 3.500 2.757 2.757 2.757 . 0 0 "[ ]" 1 714 1 70 THR HB 1 72 PRO QD 0.000 . 4.500 1.816 1.816 1.816 . 0 0 "[ ]" 1 715 1 70 THR HB 1 72 PRO QG 0.000 . 6.000 2.912 2.912 2.912 . 0 0 "[ ]" 1 716 1 70 THR MG 1 71 TYR H 0.000 . 5.000 1.730 1.730 1.730 . 0 0 "[ ]" 1 717 1 70 THR MG 1 72 PRO HA 0.000 . 6.500 4.000 4.000 4.000 . 0 0 "[ ]" 1 718 1 70 THR H 1 71 TYR HA 0.000 . 5.000 4.765 4.765 4.765 . 0 0 "[ ]" 1 719 1 71 TYR HA 1 72 PRO QD 0.000 . 3.700 2.495 2.495 2.495 . 0 0 "[ ]" 1 720 1 71 TYR HA 1 72 PRO QG 0.000 . 6.000 4.327 4.327 4.327 . 0 0 "[ ]" 1 721 1 71 TYR H 1 71 TYR QD 0.000 . 5.500 3.489 3.489 3.489 . 0 0 "[ ]" 1 722 1 71 TYR QE 1 72 PRO HD3 0.000 . 7.000 6.524 6.524 6.524 . 0 0 "[ ]" 1 723 1 71 TYR QE 1 75 PRO QG 0.000 . 8.000 4.340 4.340 4.340 . 0 0 "[ ]" 1 724 1 71 TYR H 1 72 PRO QD 0.000 . 6.000 1.999 1.999 1.999 . 0 0 "[ ]" 1 725 1 72 PRO HA 1 73 ASN H 0.000 . 5.000 3.333 3.333 3.333 . 0 0 "[ ]" 1 726 1 72 PRO QB 1 73 ASN H 0.000 . 6.000 3.703 3.703 3.703 . 0 0 "[ ]" 1 727 1 72 PRO QG 1 73 ASN H 0.000 . 4.500 3.268 3.268 3.268 . 0 0 "[ ]" 1 728 1 73 ASN HA 1 74 ARG H 0.000 . 3.500 3.568 3.568 3.568 0.068 1 0 "[ ]" 1 729 1 73 ASN QD 1 74 ARG H 0.000 . 6.000 4.888 4.888 4.888 . 0 0 "[ ]" 1 730 1 73 ASN H 1 74 ARG HA 0.000 . 5.000 4.692 4.692 4.692 . 0 0 "[ ]" 1 731 1 73 ASN H 1 74 ARG QB 0.000 . 6.000 3.426 3.426 3.426 . 0 0 "[ ]" 1 732 1 73 ASN H 1 74 ARG H 0.000 . 5.000 2.094 2.094 2.094 . 0 0 "[ ]" 1 733 1 74 ARG HA 1 75 PRO QD 0.000 . 3.700 2.414 2.414 2.414 . 0 0 "[ ]" 1 734 1 74 ARG HA 1 75 PRO QG 0.000 . 6.000 4.330 4.330 4.330 . 0 0 "[ ]" 1 735 1 75 PRO HA 1 76 PRO QD 0.000 . 3.700 1.924 1.924 1.924 . 0 0 "[ ]" 1 736 1 75 PRO HA 1 76 PRO QG 0.000 . 6.000 3.847 3.847 3.847 . 0 0 "[ ]" 1 737 1 76 PRO HA 1 77 LYS H 0.000 . 2.700 2.273 2.273 2.273 . 0 0 "[ ]" 1 738 1 76 PRO HA 1 78 VAL MG2 0.000 . 6.500 4.007 4.007 4.007 . 0 0 "[ ]" 1 739 1 77 LYS HA 1 78 VAL H 0.000 . 2.700 2.613 2.613 2.613 . 0 0 "[ ]" 1 740 1 77 LYS H 1 77 LYS QB 0.000 . 3.300 2.968 2.968 2.968 . 0 0 "[ ]" 1 741 1 77 LYS QB 1 78 VAL H 0.000 . 6.000 3.970 3.970 3.970 . 0 0 "[ ]" 1 742 1 77 LYS QG 1 78 VAL H 0.000 . 4.500 4.128 4.128 4.128 . 0 0 "[ ]" 1 743 1 78 VAL HA 1 79 ASN H 0.000 . 2.700 2.199 2.199 2.199 . 0 0 "[ ]" 1 744 1 78 VAL HA 1 80 SER H 0.000 . 3.500 3.537 3.537 3.537 0.037 1 0 "[ ]" 1 745 1 78 VAL H 1 78 VAL HB 0.000 . 2.700 2.550 2.550 2.550 . 0 0 "[ ]" 1 746 1 78 VAL HB 1 79 ASN H 0.000 . 5.000 4.247 4.247 4.247 . 0 0 "[ ]" 1 747 1 78 VAL MG1 1 79 ASN H 0.000 . 5.000 2.949 2.949 2.949 . 0 0 "[ ]" 1 748 1 78 VAL MG1 1 80 SER HA 0.000 . 5.000 3.386 3.386 3.386 . 0 0 "[ ]" 1 749 1 78 VAL MG1 1 80 SER H 0.000 . 4.200 2.082 2.082 2.082 . 0 0 "[ ]" 1 750 1 78 VAL MG2 1 79 ASN H 0.000 . 6.500 4.190 4.190 4.190 . 0 0 "[ ]" 1 751 1 78 VAL MG2 1 80 SER H 0.000 . 6.500 4.587 4.587 4.587 . 0 0 "[ ]" 1 752 1 78 VAL H 1 79 ASN QD 0.000 . 6.000 4.364 4.364 4.364 . 0 0 "[ ]" 1 753 1 79 ASN HA 1 80 SER H 0.000 . 3.500 3.446 3.446 3.446 . 0 0 "[ ]" 1 754 1 79 ASN QB 1 80 SER H 0.000 . 4.500 3.027 3.027 3.027 . 0 0 "[ ]" 1 755 1 79 ASN QD 1 80 SER H 0.000 . 6.000 4.212 4.212 4.212 . 0 0 "[ ]" 1 756 1 79 ASN H 1 80 SER QB 0.000 . 6.000 5.095 5.095 5.095 . 0 0 "[ ]" 1 757 1 79 ASN H 1 80 SER H 0.000 . 2.700 2.374 2.374 2.374 . 0 0 "[ ]" 1 758 1 80 SER HA 1 81 ILE H 0.000 . 2.700 2.483 2.483 2.483 . 0 0 "[ ]" 1 759 1 80 SER QB 1 81 ILE H 0.000 . 4.500 2.427 2.427 2.427 . 0 0 "[ ]" 1 760 1 80 SER H 1 81 ILE H 0.000 . 5.000 4.393 4.393 4.393 . 0 0 "[ ]" 1 761 1 81 ILE HA 1 82 GLU H 0.000 . 2.700 2.472 2.472 2.472 . 0 0 "[ ]" 1 762 1 81 ILE HA 1 83 ILE H 0.000 . 5.000 5.272 5.272 5.272 0.272 1 0 "[ ]" 1 763 1 81 ILE H 1 81 ILE HB 0.000 . 3.500 2.199 2.199 2.199 . 0 0 "[ ]" 1 764 1 81 ILE HB 1 82 GLU H 0.000 . 3.500 3.726 3.726 3.726 0.226 1 0 "[ ]" 1 765 1 81 ILE MD 1 82 GLU H 0.000 . 6.500 4.238 4.238 4.238 . 0 0 "[ ]" 1 766 1 81 ILE MD 1 83 ILE MD 0.000 . 6.500 4.145 4.145 4.145 . 0 0 "[ ]" 1 767 1 81 ILE QG 1 82 GLU H 0.000 . 6.000 3.200 3.200 3.200 . 0 0 "[ ]" 1 768 1 81 ILE MG 1 82 GLU HA 0.000 . 3.500 2.698 2.698 2.698 . 0 0 "[ ]" 1 769 1 81 ILE MG 1 82 GLU H 0.000 . 3.500 1.621 1.621 1.621 . 0 0 "[ ]" 1 770 1 81 ILE H 1 82 GLU HA 0.000 . 5.000 5.058 5.058 5.058 0.058 1 0 "[ ]" 1 771 1 81 ILE H 1 82 GLU H 0.000 . 5.000 4.444 4.444 4.444 . 0 0 "[ ]" 1 772 1 82 GLU HA 1 83 ILE H 0.000 . 2.700 2.429 2.429 2.429 . 0 0 "[ ]" 1 773 1 82 GLU QB 1 83 ILE H 0.000 . 4.500 4.020 4.020 4.020 . 0 0 "[ ]" 1 774 1 82 GLU QB 1 84 LEU MD2 0.000 . 7.500 5.341 5.341 5.341 . 0 0 "[ ]" 1 775 1 83 ILE HA 1 83 ILE MG 0.000 . 3.500 2.674 2.674 2.674 . 0 0 "[ ]" 1 776 1 83 ILE HA 1 84 LEU H 0.000 . 2.700 2.321 2.321 2.321 . 0 0 "[ ]" 1 777 1 83 ILE H 1 83 ILE HB 0.000 . 2.700 2.101 2.101 2.101 . 0 0 "[ ]" 1 778 1 83 ILE HB 1 84 LEU H 0.000 . 5.000 4.227 4.227 4.227 . 0 0 "[ ]" 1 779 1 83 ILE H 1 83 ILE MD 0.000 . 5.000 3.656 3.656 3.656 . 0 0 "[ ]" 1 780 1 83 ILE MG 1 84 LEU H 0.000 . 3.500 2.415 2.415 2.415 . 0 0 "[ ]" 1 781 1 83 ILE H 1 84 LEU HA 0.000 . 5.000 5.277 5.277 5.277 0.277 1 0 "[ ]" 1 782 1 84 LEU H 1 84 LEU QB 0.000 . 3.300 3.237 3.237 3.237 . 0 0 "[ ]" 1 783 1 84 LEU H 1 84 LEU QD 0.000 . 3.500 1.571 1.571 1.571 . 0 0 "[ ]" 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 3 _Distance_constraint_stats_list.Viol_count 1 _Distance_constraint_stats_list.Viol_total 0.376 _Distance_constraint_stats_list.Viol_max 0.376 _Distance_constraint_stats_list.Viol_rms 0.2452 _Distance_constraint_stats_list.Viol_average_all_restraints 0.1255 _Distance_constraint_stats_list.Viol_average_violations_only 0.3764 _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 6 CYS 0.376 0.376 1 0 "[ ]" 1 27 CYS 0.376 0.376 1 0 "[ ]" 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 6 CYS SG 1 27 CYS SG 2.000 . 2.100 2.476 2.476 2.476 0.376 1 0 "[ ]" 2 2 1 6 CYS CB 1 27 CYS SG 3.000 2.500 3.500 3.214 3.214 3.214 . 0 0 "[ ]" 2 3 1 6 CYS SG 1 27 CYS CB 3.000 2.500 3.500 2.998 2.998 2.998 . 0 0 "[ ]" 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 60 _Distance_constraint_stats_list.Viol_count 12 _Distance_constraint_stats_list.Viol_total 0.468 _Distance_constraint_stats_list.Viol_max 0.128 _Distance_constraint_stats_list.Viol_rms 0.0222 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0078 _Distance_constraint_stats_list.Viol_average_violations_only 0.0390 _Distance_constraint_stats_list.Cutoff_violation_report 0.500 _Distance_constraint_stats_list.Details . loop_ _Distance_constraint_stats_per_res.Atom_entity_assembly_ID _Distance_constraint_stats_per_res.Atom_comp_index_ID _Distance_constraint_stats_per_res.Atom_comp_ID _Distance_constraint_stats_per_res.Total_violation _Distance_constraint_stats_per_res.Max_violation _Distance_constraint_stats_per_res.Max_violation_model_number _Distance_constraint_stats_per_res.Over_cutoff_viol_count _Distance_constraint_stats_per_res.Over_cutoff_viol_per_model 1 2 ASP 0.038 0.038 1 0 "[ ]" 1 4 VAL 0.021 0.021 1 0 "[ ]" 1 13 LEU 0.022 0.022 1 0 "[ ]" 1 14 LYS 0.000 0.000 . 0 "[ ]" 1 15 ILE 0.000 0.000 . 0 "[ ]" 1 16 TRP 0.128 0.128 1 0 "[ ]" 1 17 SER 0.000 0.000 . 0 "[ ]" 1 24 SER 0.000 0.000 . 0 "[ ]" 1 26 ASP 0.000 0.000 . 0 "[ ]" 1 27 CYS 0.021 0.021 1 0 "[ ]" 1 28 TYR 0.022 0.022 1 0 "[ ]" 1 29 ALA 0.038 0.038 1 0 "[ ]" 1 32 GLY 0.000 0.000 . 0 "[ ]" 1 34 ILE 0.000 0.000 . 0 "[ ]" 1 36 PHE 0.016 0.016 1 0 "[ ]" 1 43 LYS 0.128 0.128 1 0 "[ ]" 1 44 ILE 0.032 0.032 1 0 "[ ]" 1 45 SER 0.000 0.000 . 0 "[ ]" 1 46 THR 0.048 0.048 1 0 "[ ]" 1 50 ASP 0.000 0.000 . 0 "[ ]" 1 51 LEU 0.082 0.082 1 0 "[ ]" 1 52 ILE 0.008 0.008 1 0 "[ ]" 1 53 TYR 0.000 0.000 . 0 "[ ]" 1 54 TYR 0.008 0.008 1 0 "[ ]" 1 55 ASP 0.065 0.055 1 0 "[ ]" 1 59 ASP 0.065 0.055 1 0 "[ ]" 1 61 VAL 0.000 0.000 . 0 "[ ]" 1 63 VAL 0.082 0.082 1 0 "[ ]" 1 67 HIS 0.048 0.048 1 0 "[ ]" 1 69 ILE 0.032 0.032 1 0 "[ ]" 1 79 ASN 0.016 0.016 1 0 "[ ]" 1 80 SER 0.008 0.008 1 0 "[ ]" 1 81 ILE 0.000 0.000 . 0 "[ ]" 1 82 GLU 0.008 0.008 1 0 "[ ]" 1 83 ILE 0.000 0.000 . 0 "[ ]" 1 84 LEU 0.000 0.000 . 0 "[ ]" stop_ loop_ _Distance_constraint_stats.Restraint_ID _Distance_constraint_stats.Atom_1_entity_assembly_ID _Distance_constraint_stats.Atom_1_comp_index_ID _Distance_constraint_stats.Atom_1_comp_ID _Distance_constraint_stats.Atom_1_ID _Distance_constraint_stats.Atom_2_entity_assembly_ID _Distance_constraint_stats.Atom_2_comp_index_ID _Distance_constraint_stats.Atom_2_comp_ID _Distance_constraint_stats.Atom_2_ID _Distance_constraint_stats.Node_1_distance_val _Distance_constraint_stats.Node_1_distance_lower_bound_val _Distance_constraint_stats.Node_1_distance_upper_bound_val _Distance_constraint_stats.Distance_average _Distance_constraint_stats.Distance_minimum _Distance_constraint_stats.Distance_maximum _Distance_constraint_stats.Max_violation _Distance_constraint_stats.Max_violation_model_number _Distance_constraint_stats.Over_cutoff_violation_count _Distance_constraint_stats.Over_cutoff_viol_per_model _Distance_constraint_stats.Distance_constraint_stats_ID 1 1 2 ASP N 1 29 ALA O 0.000 . 3.300 2.447 2.447 2.447 . 0 0 "[ ]" 3 2 1 2 ASP H 1 29 ALA O 0.000 . 2.300 2.338 2.338 2.338 0.038 1 0 "[ ]" 3 3 1 4 VAL N 1 27 CYS O 0.000 . 3.300 3.256 3.256 3.256 . 0 0 "[ ]" 3 4 1 4 VAL H 1 27 CYS O 0.000 . 2.300 2.321 2.321 2.321 0.021 1 0 "[ ]" 3 5 1 14 LYS N 1 45 SER O 0.000 . 3.300 3.123 3.123 3.123 . 0 0 "[ ]" 3 6 1 14 LYS H 1 45 SER O 0.000 . 2.300 2.159 2.159 2.159 . 0 0 "[ ]" 3 7 1 15 ILE N 1 26 ASP O 0.000 . 3.300 2.601 2.601 2.601 . 0 0 "[ ]" 3 8 1 15 ILE H 1 26 ASP O 0.000 . 2.300 1.648 1.648 1.648 . 0 0 "[ ]" 3 9 1 16 TRP N 1 43 LYS O 0.000 . 3.300 2.343 2.343 2.343 . 0 0 "[ ]" 3 10 1 16 TRP H 1 43 LYS O 0.000 . 2.300 1.446 1.446 1.446 . 0 0 "[ ]" 3 11 1 17 SER N 1 24 SER O 0.000 . 3.300 2.710 2.710 2.710 . 0 0 "[ ]" 3 12 1 17 SER H 1 24 SER O 0.000 . 2.300 1.793 1.793 1.793 . 0 0 "[ ]" 3 13 1 17 SER O 1 24 SER N 0.000 . 3.300 2.888 2.888 2.888 . 0 0 "[ ]" 3 14 1 17 SER O 1 24 SER H 0.000 . 2.300 2.153 2.153 2.153 . 0 0 "[ ]" 3 15 1 15 ILE O 1 26 ASP N 0.000 . 3.300 2.414 2.414 2.414 . 0 0 "[ ]" 3 16 1 15 ILE O 1 26 ASP H 0.000 . 2.300 1.663 1.663 1.663 . 0 0 "[ ]" 3 17 1 13 LEU O 1 28 TYR N 0.000 . 3.300 3.038 3.038 3.038 . 0 0 "[ ]" 3 18 1 13 LEU O 1 28 TYR H 0.000 . 2.300 2.322 2.322 2.322 0.022 1 0 "[ ]" 3 19 1 2 ASP O 1 29 ALA N 0.000 . 3.300 2.576 2.576 2.576 . 0 0 "[ ]" 3 20 1 2 ASP O 1 29 ALA H 0.000 . 2.300 1.866 1.866 1.866 . 0 0 "[ ]" 3 21 1 32 GLY N 1 83 ILE O 0.000 . 3.300 2.445 2.445 2.445 . 0 0 "[ ]" 3 22 1 32 GLY H 1 83 ILE O 0.000 . 2.300 1.723 1.723 1.723 . 0 0 "[ ]" 3 23 1 34 ILE N 1 81 ILE O 0.000 . 3.300 3.040 3.040 3.040 . 0 0 "[ ]" 3 24 1 34 ILE H 1 81 ILE O 0.000 . 2.300 2.291 2.291 2.291 . 0 0 "[ ]" 3 25 1 36 PHE N 1 79 ASN O 0.000 . 3.300 3.294 3.294 3.294 . 0 0 "[ ]" 3 26 1 36 PHE H 1 79 ASN O 0.000 . 2.300 2.316 2.316 2.316 0.016 1 0 "[ ]" 3 27 1 16 TRP O 1 43 LYS N 0.000 . 3.300 3.088 3.088 3.088 . 0 0 "[ ]" 3 28 1 16 TRP O 1 43 LYS H 0.000 . 2.300 2.428 2.428 2.428 0.128 1 0 "[ ]" 3 29 1 44 ILE N 1 69 ILE O 0.000 . 3.300 2.462 2.462 2.462 . 0 0 "[ ]" 3 30 1 44 ILE H 1 69 ILE O 0.000 . 2.300 1.920 1.920 1.920 . 0 0 "[ ]" 3 31 1 14 LYS O 1 45 SER N 0.000 . 3.300 2.374 2.374 2.374 . 0 0 "[ ]" 3 32 1 14 LYS O 1 45 SER H 0.000 . 2.300 1.433 1.433 1.433 . 0 0 "[ ]" 3 33 1 46 THR N 1 67 HIS O 0.000 . 3.300 2.986 2.986 2.986 . 0 0 "[ ]" 3 34 1 46 THR H 1 67 HIS O 0.000 . 2.300 2.198 2.198 2.198 . 0 0 "[ ]" 3 35 1 51 LEU N 1 63 VAL O 0.000 . 3.300 2.671 2.671 2.671 . 0 0 "[ ]" 3 36 1 51 LEU H 1 63 VAL O 0.000 . 2.300 2.382 2.382 2.382 0.082 1 0 "[ ]" 3 37 1 52 ILE N 1 82 GLU O 0.000 . 3.300 2.957 2.957 2.957 . 0 0 "[ ]" 3 38 1 52 ILE H 1 82 GLU O 0.000 . 2.300 2.308 2.308 2.308 0.008 1 0 "[ ]" 3 39 1 53 TYR N 1 61 VAL O 0.000 . 3.300 2.901 2.901 2.901 . 0 0 "[ ]" 3 40 1 53 TYR H 1 61 VAL O 0.000 . 2.300 2.030 2.030 2.030 . 0 0 "[ ]" 3 41 1 54 TYR N 1 80 SER O 0.000 . 3.300 2.992 2.992 2.992 . 0 0 "[ ]" 3 42 1 54 TYR H 1 80 SER O 0.000 . 2.300 2.308 2.308 2.308 0.008 1 0 "[ ]" 3 43 1 55 ASP N 1 59 ASP O 0.000 . 3.300 3.310 3.310 3.310 0.010 1 0 "[ ]" 3 44 1 55 ASP H 1 59 ASP O 0.000 . 2.300 2.355 2.355 2.355 0.055 1 0 "[ ]" 3 45 1 53 TYR O 1 61 VAL N 0.000 . 3.300 3.081 3.081 3.081 . 0 0 "[ ]" 3 46 1 53 TYR O 1 61 VAL H 0.000 . 2.300 2.130 2.130 2.130 . 0 0 "[ ]" 3 47 1 51 LEU O 1 63 VAL N 0.000 . 3.300 2.353 2.353 2.353 . 0 0 "[ ]" 3 48 1 51 LEU O 1 63 VAL H 0.000 . 2.300 1.508 1.508 1.508 . 0 0 "[ ]" 3 49 1 46 THR O 1 67 HIS N 0.000 . 3.300 3.146 3.146 3.146 . 0 0 "[ ]" 3 50 1 46 THR O 1 67 HIS H 0.000 . 2.300 2.348 2.348 2.348 0.048 1 0 "[ ]" 3 51 1 44 ILE O 1 69 ILE N 0.000 . 3.300 3.033 3.033 3.033 . 0 0 "[ ]" 3 52 1 44 ILE O 1 69 ILE H 0.000 . 2.300 2.332 2.332 2.332 0.032 1 0 "[ ]" 3 53 1 34 ILE O 1 81 ILE N 0.000 . 3.300 2.980 2.980 2.980 . 0 0 "[ ]" 3 54 1 34 ILE O 1 81 ILE H 0.000 . 2.300 2.048 2.048 2.048 . 0 0 "[ ]" 3 55 1 52 ILE O 1 82 GLU N 0.000 . 3.300 2.471 2.471 2.471 . 0 0 "[ ]" 3 56 1 52 ILE O 1 82 GLU H 0.000 . 2.300 2.195 2.195 2.195 . 0 0 "[ ]" 3 57 1 32 GLY O 1 83 ILE N 0.000 . 3.300 2.719 2.719 2.719 . 0 0 "[ ]" 3 58 1 32 GLY O 1 83 ILE H 0.000 . 2.300 1.991 1.991 1.991 . 0 0 "[ ]" 3 59 1 50 ASP O 1 84 LEU N 0.000 . 3.300 2.624 2.624 2.624 . 0 0 "[ ]" 3 60 1 50 ASP O 1 84 LEU H 0.000 . 2.300 1.749 1.749 1.749 . 0 0 "[ ]" 3 stop_ save_
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