NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
469034 | 1ab3 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1ab3 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 743 _Distance_constraint_stats_list.Viol_count 3731 _Distance_constraint_stats_list.Viol_total 8921.783 _Distance_constraint_stats_list.Viol_max 0.529 _Distance_constraint_stats_list.Viol_rms 0.0492 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0178 _Distance_constraint_stats_list.Viol_average_violations_only 0.0920 _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 PRO 0.748 0.126 15 0 "[ . 1 . 2 . ]" 1 2 ILE 2.622 0.157 25 0 "[ . 1 . 2 . ]" 1 3 THR 6.732 0.527 1 2 "[+ . 1 . 2 .*]" 1 4 LYS 1.577 0.527 1 2 "[+ . 1 . 2 .*]" 1 5 GLU 10.227 0.280 1 0 "[ . 1 . 2 . ]" 1 6 GLU 27.744 0.390 1 0 "[ . 1 . 2 . ]" 1 7 LYS 18.356 0.390 1 0 "[ . 1 . 2 . ]" 1 8 GLN 1.860 0.061 15 0 "[ . 1 . 2 . ]" 1 9 LYS 2.118 0.170 10 0 "[ . 1 . 2 . ]" 1 10 VAL 4.118 0.132 1 0 "[ . 1 . 2 . ]" 1 11 ILE 16.605 0.429 12 0 "[ . 1 . 2 . ]" 1 12 GLN 12.863 0.429 12 0 "[ . 1 . 2 . ]" 1 13 GLU 6.309 0.145 6 0 "[ . 1 . 2 . ]" 1 14 PHE 8.249 0.127 14 0 "[ . 1 . 2 . ]" 1 15 ALA 3.503 0.091 2 0 "[ . 1 . 2 . ]" 1 16 ARG 3.748 0.219 23 0 "[ . 1 . 2 . ]" 1 17 PHE 7.739 0.219 23 0 "[ . 1 . 2 . ]" 1 18 PRO 0.000 0.000 . 0 "[ . 1 . 2 . ]" 1 19 GLY 0.000 0.000 . 0 "[ . 1 . 2 . ]" 1 20 ASP 9.166 0.427 6 0 "[ . 1 . 2 . ]" 1 21 THR 11.336 0.427 6 0 "[ . 1 . 2 . ]" 1 22 GLY 0.762 0.086 11 0 "[ . 1 . 2 . ]" 1 23 SER 2.471 0.123 9 0 "[ . 1 . 2 . ]" 1 24 THR 0.018 0.018 6 0 "[ . 1 . 2 . ]" 1 25 GLU 1.827 0.113 6 0 "[ . 1 . 2 . ]" 1 26 VAL 3.502 0.085 8 0 "[ . 1 . 2 . ]" 1 27 GLN 5.258 0.135 16 0 "[ . 1 . 2 . ]" 1 28 VAL 4.611 0.192 18 0 "[ . 1 . 2 . ]" 1 29 ALA 7.119 0.094 7 0 "[ . 1 . 2 . ]" 1 30 LEU 7.910 0.135 16 0 "[ . 1 . 2 . ]" 1 31 LEU 11.718 0.192 18 0 "[ . 1 . 2 . ]" 1 32 THR 1.569 0.061 3 0 "[ . 1 . 2 . ]" 1 33 LEU 1.688 0.050 8 0 "[ . 1 . 2 . ]" 1 34 ARG 0.406 0.062 23 0 "[ . 1 . 2 . ]" 1 35 ILE 3.585 0.116 11 0 "[ . 1 . 2 . ]" 1 36 ASN 2.402 0.072 11 0 "[ . 1 . 2 . ]" 1 37 ARG 10.853 0.331 11 0 "[ . 1 . 2 . ]" 1 38 LEU 11.548 0.331 11 0 "[ . 1 . 2 . ]" 1 39 SER 0.010 0.007 19 0 "[ . 1 . 2 . ]" 1 40 GLU 8.618 0.226 11 0 "[ . 1 . 2 . ]" 1 41 HIS 9.335 0.226 11 0 "[ . 1 . 2 . ]" 1 42 LEU 7.977 0.122 22 0 "[ . 1 . 2 . ]" 1 43 LYS 10.099 0.243 19 0 "[ . 1 . 2 . ]" 1 44 VAL 10.222 0.243 19 0 "[ . 1 . 2 . ]" 1 45 HIS 2.819 0.086 16 0 "[ . 1 . 2 . ]" 1 46 LYS 1.455 0.164 9 0 "[ . 1 . 2 . ]" 1 47 LYS 0.999 0.125 25 0 "[ . 1 . 2 . ]" 1 48 ASP 1.039 0.125 25 0 "[ . 1 . 2 . ]" 1 49 HIS 0.267 0.057 18 0 "[ . 1 . 2 . ]" 1 50 HIS 4.732 0.200 16 0 "[ . 1 . 2 . ]" 1 51 SER 5.851 0.200 16 0 "[ . 1 . 2 . ]" 1 52 HIS 0.686 0.086 15 0 "[ . 1 . 2 . ]" 1 53 ARG 1.183 0.121 16 0 "[ . 1 . 2 . ]" 1 54 GLY 0.000 0.000 . 0 "[ . 1 . 2 . ]" 1 55 LEU 5.009 0.161 22 0 "[ . 1 . 2 . ]" 1 56 LEU 11.788 0.194 8 0 "[ . 1 . 2 . ]" 1 57 MET 3.127 0.116 12 0 "[ . 1 . 2 . ]" 1 58 MET 1.056 0.122 4 0 "[ . 1 . 2 . ]" 1 59 VAL 1.887 0.073 16 0 "[ . 1 . 2 . ]" 1 60 GLY 0.162 0.073 16 0 "[ . 1 . 2 . ]" 1 61 GLN 8.389 0.218 8 0 "[ . 1 . 2 . ]" 1 62 ARG 7.423 0.218 8 0 "[ . 1 . 2 . ]" 1 63 ARG 3.422 0.148 22 0 "[ . 1 . 2 . ]" 1 64 ARG 3.009 0.169 11 0 "[ . 1 . 2 . ]" 1 65 LEU 2.318 0.170 2 0 "[ . 1 . 2 . ]" 1 66 LEU 1.941 0.139 25 0 "[ . 1 . 2 . ]" 1 67 ARG 2.294 0.156 23 0 "[ . 1 . 2 . ]" 1 68 TYR 3.761 0.165 1 0 "[ . 1 . 2 . ]" 1 69 LEU 3.392 0.136 21 0 "[ . 1 . 2 . ]" 1 70 GLN 7.426 0.192 12 0 "[ . 1 . 2 . ]" 1 71 ARG 4.590 0.121 12 0 "[ . 1 . 2 . ]" 1 72 GLU 9.113 0.286 21 0 "[ . 1 . 2 . ]" 1 73 ASP 7.819 0.286 21 0 "[ . 1 . 2 . ]" 1 74 PRO 3.336 0.103 16 0 "[ . 1 . 2 . ]" 1 75 GLU 6.083 0.123 25 0 "[ . 1 . 2 . ]" 1 76 ARG 1.685 0.133 5 0 "[ . 1 . 2 . ]" 1 77 TYR 9.551 0.216 17 0 "[ . 1 . 2 . ]" 1 78 ARG 5.373 0.216 17 0 "[ . 1 . 2 . ]" 1 79 ALA 12.278 0.234 12 0 "[ . 1 . 2 . ]" 1 80 LEU 6.966 0.160 19 0 "[ . 1 . 2 . ]" 1 81 ILE 14.466 0.234 12 0 "[ . 1 . 2 . ]" 1 82 GLU 4.652 0.140 20 0 "[ . 1 . 2 . ]" 1 83 LYS 7.518 0.174 16 0 "[ . 1 . 2 . ]" 1 84 LEU 7.886 0.193 13 0 "[ . 1 . 2 . ]" 1 85 GLY 2.613 0.077 13 0 "[ . 1 . 2 . ]" 1 86 ILE 12.238 0.164 9 0 "[ . 1 . 2 . ]" 1 87 ARG 25.186 0.529 22 3 "[ .- 1 . 2 + * ]" 1 88 GLY 15.439 0.529 22 3 "[ .- 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 1 PRO HA 1 2 ILE H 3.400 . 3.400 2.781 2.196 3.526 0.126 15 0 "[ . 1 . 2 . ]" 1 2 1 1 PRO QB 1 2 ILE H 3.400 . 3.800 2.470 1.839 3.477 . 0 0 "[ . 1 . 2 . ]" 1 3 1 2 ILE H 1 2 ILE HB 3.400 . 3.400 2.986 2.435 3.557 0.157 25 0 "[ . 1 . 2 . ]" 1 4 1 2 ILE HA 1 2 ILE MG 3.400 . 3.700 2.240 2.048 2.471 . 0 0 "[ . 1 . 2 . ]" 1 5 1 2 ILE HA 1 2 ILE QG 3.400 . 4.400 2.738 2.306 3.290 . 0 0 "[ . 1 . 2 . ]" 1 6 1 2 ILE HB 1 2 ILE MD 3.400 . 3.700 2.260 1.906 3.181 . 0 0 "[ . 1 . 2 . ]" 1 7 1 3 THR HA 1 3 THR MG 3.400 . 3.700 3.124 3.053 3.160 . 0 0 "[ . 1 . 2 . ]" 1 8 1 3 THR HA 1 6 GLU HB2 3.400 . 3.400 3.551 3.440 3.625 0.225 19 0 "[ . 1 . 2 . ]" 1 9 1 3 THR H 1 6 GLU HB2 . . 2.800 1.924 1.772 2.828 0.028 1 0 "[ . 1 . 2 . ]" 1 10 1 3 THR H 1 6 GLU QG 5.000 . 6.000 3.303 1.845 3.933 . 0 0 "[ . 1 . 2 . ]" 1 11 1 5 GLU HA 1 5 GLU QG 3.400 . 4.400 2.096 1.936 2.422 . 0 0 "[ . 1 . 2 . ]" 1 12 1 5 GLU QG 1 6 GLU H 5.000 . 6.000 4.624 4.557 4.840 . 0 0 "[ . 1 . 2 . ]" 1 13 1 5 GLU HA 1 6 GLU H . . 2.800 3.033 3.013 3.080 0.280 1 0 "[ . 1 . 2 . ]" 1 14 1 6 GLU HA 1 6 GLU QG 3.400 . 4.400 2.387 2.034 2.670 . 0 0 "[ . 1 . 2 . ]" 1 15 1 6 GLU H 1 6 GLU HB2 3.400 . 3.400 2.205 2.168 2.241 . 0 0 "[ . 1 . 2 . ]" 1 16 1 6 GLU HB2 1 7 LYS H 3.400 . 3.400 3.588 3.550 3.626 0.226 9 0 "[ . 1 . 2 . ]" 1 17 1 7 LYS H 1 7 LYS QD 5.000 . 6.000 4.065 3.168 5.068 . 0 0 "[ . 1 . 2 . ]" 1 18 1 7 LYS HA 1 7 LYS QG 3.400 . 4.400 2.910 2.037 3.402 . 0 0 "[ . 1 . 2 . ]" 1 19 1 7 LYS HA 1 7 LYS QD 3.400 . 4.400 3.391 2.383 3.821 . 0 0 "[ . 1 . 2 . ]" 1 20 1 7 LYS HA 1 7 LYS QE 5.000 . 6.000 4.725 4.154 5.366 . 0 0 "[ . 1 . 2 . ]" 1 21 1 7 LYS QB 1 7 LYS QE 3.400 . 5.400 2.756 2.080 3.585 . 0 0 "[ . 1 . 2 . ]" 1 22 1 7 LYS HA 1 10 VAL HB 3.400 . 3.400 2.749 1.886 3.404 0.004 19 0 "[ . 1 . 2 . ]" 1 23 1 7 LYS HA 1 10 VAL QG 5.000 . 7.400 2.540 1.869 3.738 . 0 0 "[ . 1 . 2 . ]" 1 24 1 7 LYS QG 1 11 ILE MD 5.000 . 6.600 3.976 2.007 4.838 . 0 0 "[ . 1 . 2 . ]" 1 25 1 7 LYS QD 1 11 ILE MD 3.400 . 4.700 2.609 1.752 3.253 . 0 0 "[ . 1 . 2 . ]" 1 26 1 7 LYS QE 1 11 ILE MD 5.000 . 6.600 3.934 2.483 4.720 . 0 0 "[ . 1 . 2 . ]" 1 27 1 9 LYS QB 1 10 VAL H 3.400 . 4.400 3.439 2.852 4.042 . 0 0 "[ . 1 . 2 . ]" 1 28 1 10 VAL QG 1 11 ILE H 5.000 . 7.400 2.887 2.442 3.327 . 0 0 "[ . 1 . 2 . ]" 1 29 1 10 VAL HA 1 14 PHE QD 3.400 . 5.400 3.683 3.308 4.690 . 0 0 "[ . 1 . 2 . ]" 1 30 1 10 VAL QG 1 14 PHE QE 5.000 . 9.400 3.517 2.515 4.555 . 0 0 "[ . 1 . 2 . ]" 1 31 1 11 ILE H 1 11 ILE QG 3.400 . 4.400 3.451 3.423 3.473 . 0 0 "[ . 1 . 2 . ]" 1 32 1 11 ILE HA 1 11 ILE MG 3.400 . 3.700 2.609 2.583 2.649 . 0 0 "[ . 1 . 2 . ]" 1 33 1 11 ILE HA 1 11 ILE QG 3.400 . 4.400 3.339 3.318 3.353 . 0 0 "[ . 1 . 2 . ]" 1 34 1 11 ILE HB 1 11 ILE MD 3.400 . 3.700 3.152 3.145 3.163 . 0 0 "[ . 1 . 2 . ]" 1 35 1 11 ILE HB 1 12 GLN H 3.400 . 3.400 3.819 3.793 3.829 0.429 12 0 "[ . 1 . 2 . ]" 1 36 1 11 ILE HA 1 15 ALA MB 5.000 . 5.600 3.002 2.857 3.253 . 0 0 "[ . 1 . 2 . ]" 1 37 1 11 ILE MG 1 21 THR HA 5.000 . 5.600 3.145 2.306 3.808 . 0 0 "[ . 1 . 2 . ]" 1 38 1 11 ILE MG 1 21 THR HB 5.000 . 5.600 2.268 1.830 4.492 . 0 0 "[ . 1 . 2 . ]" 1 39 1 11 ILE MD 1 21 THR HB 5.000 . 5.600 3.672 2.903 4.547 . 0 0 "[ . 1 . 2 . ]" 1 40 1 12 GLN HA 1 12 GLN QG 3.400 . 4.400 2.623 1.937 3.427 . 0 0 "[ . 1 . 2 . ]" 1 41 1 13 GLU H 1 13 GLU QG 3.400 . 4.400 3.517 2.214 4.004 . 0 0 "[ . 1 . 2 . ]" 1 42 1 13 GLU HA 1 13 GLU QG 3.400 . 4.400 2.195 1.917 2.525 . 0 0 "[ . 1 . 2 . ]" 1 43 1 13 GLU QG 1 14 PHE QD 5.000 . 8.400 4.818 3.383 5.829 . 0 0 "[ . 1 . 2 . ]" 1 44 1 14 PHE HA 1 14 PHE QD 3.400 . 5.400 2.375 1.862 3.042 . 0 0 "[ . 1 . 2 . ]" 1 45 1 14 PHE HB3 1 26 VAL HA 3.400 . 3.400 2.342 1.999 2.707 . 0 0 "[ . 1 . 2 . ]" 1 46 1 14 PHE HB3 1 26 VAL QG 5.000 . 7.700 1.797 1.707 1.837 . 0 0 "[ . 1 . 2 . ]" 1 47 1 14 PHE HB2 1 26 VAL HA 3.400 . 3.400 3.418 3.307 3.445 0.045 1 0 "[ . 1 . 2 . ]" 1 48 1 14 PHE HB2 1 26 VAL QG 5.000 . 7.300 2.283 1.844 2.602 . 0 0 "[ . 1 . 2 . ]" 1 49 1 14 PHE HB3 1 29 ALA MB 5.000 . 5.600 3.913 3.578 4.400 . 0 0 "[ . 1 . 2 . ]" 1 50 1 14 PHE HB2 1 29 ALA MB 5.000 . 5.600 4.127 3.845 4.551 . 0 0 "[ . 1 . 2 . ]" 1 51 1 14 PHE QD 1 29 ALA MB 5.000 . 7.300 2.814 2.287 3.282 . 0 0 "[ . 1 . 2 . ]" 1 52 1 14 PHE QE 1 29 ALA MB 5.000 . 7.300 2.365 1.985 3.057 . 0 0 "[ . 1 . 2 . ]" 1 53 1 14 PHE QD 1 80 LEU QD 5.000 . 9.700 3.020 2.041 4.648 . 0 0 "[ . 1 . 2 . ]" 1 54 1 14 PHE QE 1 80 LEU QD 5.000 . 9.700 3.259 2.314 4.634 . 0 0 "[ . 1 . 2 . ]" 1 55 1 14 PHE QE 1 83 LYS QB 3.400 . 6.400 3.100 1.939 4.660 . 0 0 "[ . 1 . 2 . ]" 1 56 1 14 PHE HZ 1 84 LEU QD 5.000 . 7.400 2.437 1.781 4.555 . 0 0 "[ . 1 . 2 . ]" 1 57 1 14 PHE QE 1 84 LEU QD 5.000 . 9.400 2.186 1.720 3.623 . 0 0 "[ . 1 . 2 . ]" 1 58 1 15 ALA HA 1 17 PHE H 5.000 . 5.300 3.648 3.583 3.783 . 0 0 "[ . 1 . 2 . ]" 1 59 1 15 ALA HA 1 20 ASP QB 3.400 . 4.400 2.368 1.868 4.049 . 0 0 "[ . 1 . 2 . ]" 1 60 1 15 ALA HA 1 26 VAL QG 3.400 . 5.800 2.223 1.756 2.560 . 0 0 "[ . 1 . 2 . ]" 1 61 1 16 ARG H 1 16 ARG QD 5.000 . 6.300 2.654 1.864 5.001 . 0 0 "[ . 1 . 2 . ]" 1 62 1 16 ARG HA 1 16 ARG HE 5.000 . 5.300 4.905 3.859 5.317 0.017 6 0 "[ . 1 . 2 . ]" 1 63 1 16 ARG HA 1 16 ARG QG 3.400 . 4.400 3.185 2.380 3.384 . 0 0 "[ . 1 . 2 . ]" 1 64 1 16 ARG HA 1 16 ARG QD 3.400 . 4.400 3.650 3.379 3.961 . 0 0 "[ . 1 . 2 . ]" 1 65 1 16 ARG HE 1 16 ARG QG 3.400 . 4.400 2.635 2.158 3.284 . 0 0 "[ . 1 . 2 . ]" 1 66 1 16 ARG HA 1 17 PHE H . . 2.800 2.943 2.915 3.019 0.219 23 0 "[ . 1 . 2 . ]" 1 67 1 16 ARG QB 1 17 PHE QE 3.400 . 6.700 4.779 4.413 5.220 . 0 0 "[ . 1 . 2 . ]" 1 68 1 16 ARG H 1 20 ASP QB 3.400 . 4.400 2.128 1.795 2.757 . 0 0 "[ . 1 . 2 . ]" 1 69 1 16 ARG QG 1 23 SER QB 5.000 . 7.300 5.571 4.315 5.817 . 0 0 "[ . 1 . 2 . ]" 1 70 1 16 ARG QD 1 23 SER QB 5.000 . 7.300 5.183 4.606 5.885 . 0 0 "[ . 1 . 2 . ]" 1 71 1 16 ARG H 1 26 VAL QG 5.000 . 6.300 3.988 3.388 4.403 . 0 0 "[ . 1 . 2 . ]" 1 72 1 17 PHE HA 1 17 PHE QE 3.400 . 5.400 4.058 4.003 4.277 . 0 0 "[ . 1 . 2 . ]" 1 73 1 17 PHE HA 1 18 PRO QG 3.400 . 4.400 4.060 4.041 4.108 . 0 0 "[ . 1 . 2 . ]" 1 74 1 17 PHE HA 1 18 PRO QD 3.400 . 4.400 2.082 2.058 2.145 . 0 0 "[ . 1 . 2 . ]" 1 75 1 17 PHE QB 1 18 PRO QD 3.400 . 5.400 1.799 1.741 1.818 . 0 0 "[ . 1 . 2 . ]" 1 76 1 17 PHE H 1 20 ASP QB 3.400 . 3.800 2.379 2.081 2.648 . 0 0 "[ . 1 . 2 . ]" 1 77 1 17 PHE QD 1 20 ASP H 5.000 . 5.500 4.731 4.534 5.248 . 0 0 "[ . 1 . 2 . ]" 1 78 1 17 PHE QD 1 20 ASP HA 5.000 . 7.000 5.410 4.366 5.881 . 0 0 "[ . 1 . 2 . ]" 1 79 1 17 PHE QD 1 20 ASP QB 5.000 . 8.300 3.711 3.152 5.417 . 0 0 "[ . 1 . 2 . ]" 1 80 1 17 PHE QD 1 18 PRO QD 5.000 . 8.000 1.764 1.718 1.989 . 0 0 "[ . 1 . 2 . ]" 1 81 1 18 PRO HA 1 19 GLY H 3.400 . 3.400 3.313 3.232 3.355 . 0 0 "[ . 1 . 2 . ]" 1 82 1 18 PRO HA 1 20 ASP H 5.000 . 5.000 4.164 3.964 4.232 . 0 0 "[ . 1 . 2 . ]" 1 83 1 21 THR HA 1 21 THR MG 3.400 . 3.700 2.919 2.433 3.182 . 0 0 "[ . 1 . 2 . ]" 1 84 1 21 THR HA 1 26 VAL QG 5.000 . 7.700 2.115 1.716 4.633 . 0 0 "[ . 1 . 2 . ]" 1 85 1 23 SER HA 1 24 THR H 3.400 . 3.400 2.555 2.254 2.859 . 0 0 "[ . 1 . 2 . ]" 1 86 1 23 SER HA 1 25 GLU H 5.000 . 5.300 4.335 3.752 5.017 . 0 0 "[ . 1 . 2 . ]" 1 87 1 23 SER QB 1 25 GLU H 5.000 . 6.300 2.830 2.136 4.013 . 0 0 "[ . 1 . 2 . ]" 1 88 1 24 THR H 1 24 THR HB 3.400 . 3.400 2.430 2.343 3.418 0.018 6 0 "[ . 1 . 2 . ]" 1 89 1 24 THR HA 1 24 THR MG 3.400 . 3.700 2.435 2.380 2.506 . 0 0 "[ . 1 . 2 . ]" 1 90 1 24 THR HA 1 25 GLU H 5.000 . 5.300 3.495 3.402 3.555 . 0 0 "[ . 1 . 2 . ]" 1 91 1 24 THR HA 1 27 GLN H 5.000 . 5.300 3.535 3.406 3.671 . 0 0 "[ . 1 . 2 . ]" 1 92 1 24 THR MG 1 27 GLN H 5.000 . 5.600 4.556 4.469 4.618 . 0 0 "[ . 1 . 2 . ]" 1 93 1 24 THR MG 1 68 TYR QD 5.000 . 7.600 3.132 1.879 4.865 . 0 0 "[ . 1 . 2 . ]" 1 94 1 24 THR MG 1 68 TYR QE 5.000 . 7.600 3.903 1.759 5.711 . 0 0 "[ . 1 . 2 . ]" 1 95 1 24 THR MG 1 69 LEU H 5.000 . 5.600 4.516 4.000 4.692 . 0 0 "[ . 1 . 2 . ]" 1 96 1 24 THR MG 1 69 LEU QB 5.000 . 6.600 3.682 2.975 4.650 . 0 0 "[ . 1 . 2 . ]" 1 97 1 25 GLU HA 1 25 GLU QG 3.400 . 4.400 2.273 2.016 2.779 . 0 0 "[ . 1 . 2 . ]" 1 98 1 25 GLU H 1 26 VAL QG 5.000 . 7.700 4.182 3.810 4.535 . 0 0 "[ . 1 . 2 . ]" 1 99 1 25 GLU HB3 1 26 VAL H 3.400 . 3.400 3.121 2.571 3.425 0.025 3 0 "[ . 1 . 2 . ]" 1 100 1 25 GLU HA 1 28 VAL H 5.000 . 5.300 3.472 3.302 3.699 . 0 0 "[ . 1 . 2 . ]" 1 101 1 25 GLU HA 1 28 VAL HB 3.400 . 3.400 2.882 2.544 3.167 . 0 0 "[ . 1 . 2 . ]" 1 102 1 25 GLU HA 1 80 LEU QD 3.400 . 5.800 3.044 2.116 4.183 . 0 0 "[ . 1 . 2 . ]" 1 103 1 25 GLU QG 1 80 LEU QB 3.400 . 5.400 3.991 3.696 4.327 . 0 0 "[ . 1 . 2 . ]" 1 104 1 25 GLU QG 1 80 LEU QD 3.400 . 6.800 2.316 1.669 3.227 . 0 0 "[ . 1 . 2 . ]" 1 105 1 26 VAL HA 1 29 ALA MB 5.000 . 5.600 2.832 2.552 3.178 . 0 0 "[ . 1 . 2 . ]" 1 106 1 28 VAL HA 1 29 ALA H 5.000 . 5.300 3.533 3.518 3.547 . 0 0 "[ . 1 . 2 . ]" 1 107 1 28 VAL HA 1 31 LEU HB2 3.400 . 3.400 3.562 3.542 3.592 0.192 18 0 "[ . 1 . 2 . ]" 1 108 1 28 VAL HA 1 31 LEU HB3 3.400 . 3.400 2.105 2.070 2.178 . 0 0 "[ . 1 . 2 . ]" 1 109 1 28 VAL HA 1 31 LEU QD 5.000 . 7.700 1.810 1.726 1.832 . 0 0 "[ . 1 . 2 . ]" 1 110 1 28 VAL QG 1 62 ARG QD 5.000 . 8.700 3.624 2.905 4.553 . 0 0 "[ . 1 . 2 . ]" 1 111 1 28 VAL QG 1 32 THR H 5.000 . 7.400 4.442 4.365 4.499 . 0 0 "[ . 1 . 2 . ]" 1 112 1 29 ALA HA 1 32 THR H 5.000 . 5.300 3.538 3.485 3.648 . 0 0 "[ . 1 . 2 . ]" 1 113 1 29 ALA HA 1 32 THR HB 3.400 . 3.400 3.443 3.403 3.461 0.061 3 0 "[ . 1 . 2 . ]" 1 114 1 29 ALA HA 1 32 THR MG 5.000 . 5.600 3.745 3.488 4.160 . 0 0 "[ . 1 . 2 . ]" 1 115 1 29 ALA MB 1 32 THR HB 5.000 . 5.600 4.681 4.655 4.730 . 0 0 "[ . 1 . 2 . ]" 1 116 1 28 VAL H 1 29 ALA MB 5.000 . 5.600 4.433 4.262 4.491 . 0 0 "[ . 1 . 2 . ]" 1 117 1 29 ALA HA 1 84 LEU QD 5.000 . 7.700 2.598 1.792 4.588 . 0 0 "[ . 1 . 2 . ]" 1 118 1 31 LEU H 1 31 LEU HG 3.400 . 3.400 2.836 2.728 2.906 . 0 0 "[ . 1 . 2 . ]" 1 119 1 31 LEU HA 1 31 LEU HG 3.400 . 3.400 3.580 3.569 3.590 0.190 7 0 "[ . 1 . 2 . ]" 1 120 1 31 LEU HA 1 31 LEU QD 3.400 . 5.800 3.050 3.001 3.116 . 0 0 "[ . 1 . 2 . ]" 1 121 1 31 LEU HB3 1 35 ILE MD 5.000 . 5.600 4.695 4.635 4.742 . 0 0 "[ . 1 . 2 . ]" 1 122 1 31 LEU HB2 1 35 ILE MD 5.000 . 5.600 3.619 3.468 3.691 . 0 0 "[ . 1 . 2 . ]" 1 123 1 31 LEU QD 1 58 MET QG 3.400 . 6.800 3.651 2.362 4.172 . 0 0 "[ . 1 . 2 . ]" 1 124 1 31 LEU QD 1 61 GLN QB 5.000 . 8.700 2.845 1.683 4.227 . 0 0 "[ . 1 . 2 . ]" 1 125 1 31 LEU QD 1 61 GLN QG 5.000 . 8.700 4.389 3.014 5.742 . 0 0 "[ . 1 . 2 . ]" 1 126 1 31 LEU QD 1 62 ARG HA 3.400 . 5.800 3.361 2.459 4.029 . 0 0 "[ . 1 . 2 . ]" 1 127 1 32 THR HA 1 32 THR MG 3.400 . 3.700 3.103 2.962 3.152 . 0 0 "[ . 1 . 2 . ]" 1 128 1 32 THR H 1 35 ILE MD 5.000 . 5.600 4.029 3.881 4.286 . 0 0 "[ . 1 . 2 . ]" 1 129 1 32 THR HA 1 35 ILE HB 3.400 . 3.400 2.268 2.081 2.518 . 0 0 "[ . 1 . 2 . ]" 1 130 1 32 THR HA 1 35 ILE MG 5.000 . 5.600 3.163 2.889 3.373 . 0 0 "[ . 1 . 2 . ]" 1 131 1 32 THR HA 1 35 ILE MD 5.000 . 5.600 2.335 1.944 3.059 . 0 0 "[ . 1 . 2 . ]" 1 132 1 32 THR MG 1 62 ARG QD 5.000 . 6.600 4.904 4.692 4.990 . 0 0 "[ . 1 . 2 . ]" 1 133 1 32 THR MG 1 35 ILE H 5.000 . 6.600 4.400 4.318 4.490 . 0 0 "[ . 1 . 2 . ]" 1 134 1 32 THR MG 1 36 ASN H 5.000 . 6.600 4.269 3.933 4.640 . 0 0 "[ . 1 . 2 . ]" 1 135 1 33 LEU HA 1 33 LEU QD 3.400 . 5.800 2.353 1.787 2.985 . 0 0 "[ . 1 . 2 . ]" 1 136 1 33 LEU QD 1 34 ARG H 5.000 . 7.700 3.572 2.497 4.089 . 0 0 "[ . 1 . 2 . ]" 1 137 1 33 LEU HA 1 36 ASN QB 3.400 . 4.400 3.215 2.731 3.742 . 0 0 "[ . 1 . 2 . ]" 1 138 1 35 ILE HA 1 35 ILE MG 3.400 . 3.700 2.875 2.821 2.931 . 0 0 "[ . 1 . 2 . ]" 1 139 1 35 ILE HB 1 35 ILE MD 3.400 . 3.700 2.072 1.902 2.219 . 0 0 "[ . 1 . 2 . ]" 1 140 1 35 ILE HA 1 36 ASN H 5.000 . 5.300 3.558 3.546 3.568 . 0 0 "[ . 1 . 2 . ]" 1 141 1 35 ILE MG 1 36 ASN HA 5.000 . 5.600 2.850 2.794 2.936 . 0 0 "[ . 1 . 2 . ]" 1 142 1 35 ILE HA 1 38 LEU QB 3.400 . 4.400 2.359 2.152 2.550 . 0 0 "[ . 1 . 2 . ]" 1 143 1 35 ILE MG 1 39 SER QB 5.000 . 6.600 4.727 4.331 4.800 . 0 0 "[ . 1 . 2 . ]" 1 144 1 35 ILE HA 1 55 LEU QD 5.000 . 7.700 5.286 4.473 5.778 . 0 0 "[ . 1 . 2 . ]" 1 145 1 35 ILE H 1 58 MET ME 5.000 . 5.600 3.533 2.600 4.449 . 0 0 "[ . 1 . 2 . ]" 1 146 1 35 ILE HA 1 58 MET ME 3.400 . 3.700 2.685 1.950 3.157 . 0 0 "[ . 1 . 2 . ]" 1 147 1 35 ILE MD 1 58 MET HA 5.000 . 5.600 4.096 3.509 4.618 . 0 0 "[ . 1 . 2 . ]" 1 148 1 35 ILE MD 1 58 MET QB 3.400 . 4.700 2.451 1.810 3.210 . 0 0 "[ . 1 . 2 . ]" 1 149 1 35 ILE MD 1 59 VAL HA 3.400 . 3.700 2.450 1.876 2.898 . 0 0 "[ . 1 . 2 . ]" 1 150 1 35 ILE MD 1 59 VAL QG 5.000 . 8.000 2.687 2.033 3.278 . 0 0 "[ . 1 . 2 . ]" 1 151 1 35 ILE MD 1 62 ARG HE 5.000 . 5.600 3.399 2.735 4.525 . 0 0 "[ . 1 . 2 . ]" 1 152 1 35 ILE MD 1 62 ARG QB 5.000 . 6.600 4.065 3.403 4.636 . 0 0 "[ . 1 . 2 . ]" 1 153 1 35 ILE MD 1 62 ARG QD 5.000 . 6.600 4.268 3.227 4.818 . 0 0 "[ . 1 . 2 . ]" 1 154 1 36 ASN HA 1 39 SER QB 3.400 . 4.400 3.975 3.940 4.033 . 0 0 "[ . 1 . 2 . ]" 1 155 1 38 LEU HA 1 38 LEU QD 3.400 . 5.800 1.967 1.721 2.722 . 0 0 "[ . 1 . 2 . ]" 1 156 1 38 LEU HA 1 39 SER H 5.000 . 5.000 3.517 3.460 3.549 . 0 0 "[ . 1 . 2 . ]" 1 157 1 38 LEU HA 1 41 HIS QB 3.400 . 4.400 2.986 2.200 3.641 . 0 0 "[ . 1 . 2 . ]" 1 158 1 38 LEU QD 1 51 SER QB 5.000 . 8.400 4.439 2.554 5.273 . 0 0 "[ . 1 . 2 . ]" 1 159 1 39 SER QB 1 40 GLU H 5.000 . 6.300 2.974 2.562 3.705 . 0 0 "[ . 1 . 2 . ]" 1 160 1 41 HIS HA 1 44 VAL QG 5.000 . 7.700 4.645 4.455 4.811 . 0 0 "[ . 1 . 2 . ]" 1 161 1 42 LEU HA 1 42 LEU QD 3.400 . 5.800 2.759 1.752 3.147 . 0 0 "[ . 1 . 2 . ]" 1 162 1 42 LEU HA 1 43 LYS H 5.000 . 5.300 3.350 3.340 3.365 . 0 0 "[ . 1 . 2 . ]" 1 163 1 42 LEU HB2 1 43 LYS H 3.400 . 3.400 3.443 3.427 3.460 0.060 19 0 "[ . 1 . 2 . ]" 1 164 1 42 LEU HB3 1 43 LYS H 5.000 . 5.300 4.178 3.994 4.407 . 0 0 "[ . 1 . 2 . ]" 1 165 1 42 LEU HA 1 44 VAL H 5.000 . 5.300 3.208 3.191 3.227 . 0 0 "[ . 1 . 2 . ]" 1 166 1 42 LEU HA 1 45 HIS H 3.400 . 3.400 3.111 3.077 3.174 . 0 0 "[ . 1 . 2 . ]" 1 167 1 42 LEU HA 1 45 HIS HB3 3.400 . 3.400 3.479 3.470 3.486 0.086 16 0 "[ . 1 . 2 . ]" 1 168 1 42 LEU HA 1 45 HIS HB2 5.000 . 5.300 2.026 1.945 2.194 . 0 0 "[ . 1 . 2 . ]" 1 169 1 42 LEU QD 1 52 HIS HA 5.000 . 7.700 4.916 3.797 5.615 . 0 0 "[ . 1 . 2 . ]" 1 170 1 42 LEU QD 1 52 HIS QB 5.000 . 8.700 4.173 2.308 5.694 . 0 0 "[ . 1 . 2 . ]" 1 171 1 45 HIS HB3 1 46 LYS H 5.000 . 5.300 2.657 1.858 4.076 . 0 0 "[ . 1 . 2 . ]" 1 172 1 45 HIS HB3 1 48 ASP QB 3.400 . 4.400 3.271 2.125 3.993 . 0 0 "[ . 1 . 2 . ]" 1 173 1 45 HIS HB2 1 48 ASP QB 5.000 . 6.000 4.398 2.352 5.264 . 0 0 "[ . 1 . 2 . ]" 1 174 1 46 LYS HA 1 46 LYS QG 3.400 . 4.400 2.677 1.934 3.297 . 0 0 "[ . 1 . 2 . ]" 1 175 1 46 LYS HA 1 47 LYS H 3.400 . 3.400 2.910 2.228 3.497 0.097 19 0 "[ . 1 . 2 . ]" 1 176 1 46 LYS QB 1 47 LYS H 3.400 . 4.400 3.751 2.743 4.016 . 0 0 "[ . 1 . 2 . ]" 1 177 1 47 LYS HA 1 47 LYS QG 3.400 . 4.400 2.919 1.940 3.308 . 0 0 "[ . 1 . 2 . ]" 1 178 1 47 LYS HA 1 48 ASP H 3.400 . 3.400 2.821 2.462 3.525 0.125 25 0 "[ . 1 . 2 . ]" 1 179 1 52 HIS QB 1 53 ARG H 3.400 . 4.400 3.494 2.587 4.040 . 0 0 "[ . 1 . 2 . ]" 1 180 1 52 HIS HA 1 55 LEU QB 3.400 . 4.400 2.624 1.871 3.822 . 0 0 "[ . 1 . 2 . ]" 1 181 1 54 GLY QA 1 57 MET QB 3.400 . 5.400 4.132 3.417 4.410 . 0 0 "[ . 1 . 2 . ]" 1 182 1 56 LEU HA 1 56 LEU QD 3.400 . 5.800 2.102 1.835 2.697 . 0 0 "[ . 1 . 2 . ]" 1 183 1 56 LEU HB2 1 57 MET H 3.400 . 3.400 2.615 1.873 3.032 . 0 0 "[ . 1 . 2 . ]" 1 184 1 56 LEU HA 1 57 MET H 3.400 . 3.400 3.497 3.445 3.516 0.116 12 0 "[ . 1 . 2 . ]" 1 185 1 56 LEU HA 1 59 VAL H 3.400 . 3.400 3.276 2.970 3.427 0.027 6 0 "[ . 1 . 2 . ]" 1 186 1 57 MET HA 1 57 MET QG 3.400 . 4.400 2.278 1.926 2.556 . 0 0 "[ . 1 . 2 . ]" 1 187 1 58 MET HA 1 58 MET QG 3.400 . 4.400 2.638 1.912 3.354 . 0 0 "[ . 1 . 2 . ]" 1 188 1 58 MET HA 1 59 VAL H 5.000 . 5.300 3.547 3.419 3.583 . 0 0 "[ . 1 . 2 . ]" 1 189 1 58 MET ME 1 59 VAL H 5.000 . 5.600 3.930 3.397 4.465 . 0 0 "[ . 1 . 2 . ]" 1 190 1 58 MET QG 1 59 VAL H 5.000 . 6.300 3.315 1.772 4.540 . 0 0 "[ . 1 . 2 . ]" 1 191 1 58 MET HA 1 61 GLN QB 3.400 . 4.400 2.598 1.939 3.370 . 0 0 "[ . 1 . 2 . ]" 1 192 1 59 VAL H 1 59 VAL QG 3.400 . 5.800 2.142 1.844 2.713 . 0 0 "[ . 1 . 2 . ]" 1 193 1 59 VAL QG 1 60 GLY H 5.000 . 7.700 3.200 1.756 3.534 . 0 0 "[ . 1 . 2 . ]" 1 194 1 61 GLN HA 1 61 GLN QG 3.400 . 4.400 2.053 1.928 2.304 . 0 0 "[ . 1 . 2 . ]" 1 195 1 62 ARG HA 1 63 ARG H 3.400 . 3.400 3.469 3.305 3.548 0.148 22 0 "[ . 1 . 2 . ]" 1 196 1 62 ARG QB 1 63 ARG H 3.400 . 4.400 2.874 2.221 3.405 . 0 0 "[ . 1 . 2 . ]" 1 197 1 62 ARG HA 1 66 LEU H 5.000 . 5.300 4.961 3.113 5.347 0.047 8 0 "[ . 1 . 2 . ]" 1 198 1 62 ARG QD 1 86 ILE MD 5.000 . 6.600 4.644 4.472 4.760 . 0 0 "[ . 1 . 2 . ]" 1 199 1 66 LEU HA 1 66 LEU QD 3.400 . 5.800 3.233 2.445 3.438 . 0 0 "[ . 1 . 2 . ]" 1 200 1 66 LEU QB 1 77 TYR QE 3.400 . 6.400 2.878 1.829 4.292 . 0 0 "[ . 1 . 2 . ]" 1 201 1 66 LEU QB 1 77 TYR QD 5.000 . 8.000 3.879 2.890 5.326 . 0 0 "[ . 1 . 2 . ]" 1 202 1 68 TYR HA 1 69 LEU H 5.000 . 5.000 3.526 3.248 3.588 . 0 0 "[ . 1 . 2 . ]" 1 203 1 68 TYR QB 1 70 GLN H 5.000 . 6.000 4.530 3.925 5.010 . 0 0 "[ . 1 . 2 . ]" 1 204 1 69 LEU HA 1 69 LEU QD 3.400 . 5.800 2.394 1.805 3.126 . 0 0 "[ . 1 . 2 . ]" 1 205 1 69 LEU QD 1 73 ASP QB 5.000 . 8.700 3.203 1.942 4.469 . 0 0 "[ . 1 . 2 . ]" 1 206 1 69 LEU QD 1 76 ARG HE 5.000 . 7.400 3.477 1.937 5.113 . 0 0 "[ . 1 . 2 . ]" 1 207 1 69 LEU QD 1 76 ARG QD 5.000 . 8.700 2.610 1.783 3.916 . 0 0 "[ . 1 . 2 . ]" 1 208 1 69 LEU QB 1 77 TYR QB 5.000 . 7.300 4.812 4.337 5.290 . 0 0 "[ . 1 . 2 . ]" 1 209 1 69 LEU QB 1 77 TYR QD 5.000 . 8.000 4.394 3.657 5.509 . 0 0 "[ . 1 . 2 . ]" 1 210 1 69 LEU QD 1 77 TYR HA 3.400 . 5.800 3.298 2.546 4.035 . 0 0 "[ . 1 . 2 . ]" 1 211 1 70 GLN H 1 70 GLN QG 3.400 . 4.400 3.522 2.280 4.044 . 0 0 "[ . 1 . 2 . ]" 1 212 1 70 GLN HA 1 70 GLN QG 3.400 . 4.400 2.711 2.256 3.428 . 0 0 "[ . 1 . 2 . ]" 1 213 1 70 GLN HA 1 71 ARG H 3.400 . 3.400 3.484 3.467 3.516 0.116 6 0 "[ . 1 . 2 . ]" 1 214 1 70 GLN HA 1 74 PRO HA 3.400 . 3.400 3.432 3.413 3.461 0.061 12 0 "[ . 1 . 2 . ]" 1 215 1 70 GLN QG 1 74 PRO HA 5.000 . 6.000 3.415 2.289 5.399 . 0 0 "[ . 1 . 2 . ]" 1 216 1 70 GLN HA 1 77 TYR H 3.400 . 3.400 3.357 3.159 3.466 0.066 23 0 "[ . 1 . 2 . ]" 1 217 1 70 GLN HA 1 77 TYR HA 3.400 . 3.400 3.549 3.494 3.592 0.192 12 0 "[ . 1 . 2 . ]" 1 218 1 70 GLN HA 1 77 TYR QB 3.400 . 4.400 1.799 1.754 1.830 . 0 0 "[ . 1 . 2 . ]" 1 219 1 70 GLN HA 1 77 TYR QD 5.000 . 7.300 3.744 3.234 3.974 . 0 0 "[ . 1 . 2 . ]" 1 220 1 71 ARG HA 1 71 ARG QG 3.400 . 4.400 2.607 2.145 3.406 . 0 0 "[ . 1 . 2 . ]" 1 221 1 71 ARG HA 1 71 ARG QD 3.400 . 4.400 2.731 1.819 4.048 . 0 0 "[ . 1 . 2 . ]" 1 222 1 71 ARG QB 1 72 GLU H 3.400 . 4.400 2.782 2.401 3.526 . 0 0 "[ . 1 . 2 . ]" 1 223 1 72 GLU HA 1 72 GLU QG 3.400 . 4.400 2.194 2.160 2.289 . 0 0 "[ . 1 . 2 . ]" 1 224 1 72 GLU QG 1 73 ASP H 3.500 . 4.800 4.385 4.318 4.408 . 0 0 "[ . 1 . 2 . ]" 1 225 1 72 GLU QG 1 73 ASP QB 5.000 . 7.300 5.244 5.104 5.707 . 0 0 "[ . 1 . 2 . ]" 1 226 1 73 ASP HA 1 74 PRO QG 3.400 . 4.400 3.811 3.803 3.821 . 0 0 "[ . 1 . 2 . ]" 1 227 1 73 ASP HA 1 74 PRO QD 3.400 . 4.400 1.876 1.866 1.885 . 0 0 "[ . 1 . 2 . ]" 1 228 1 73 ASP QB 1 76 ARG QB 3.400 . 5.400 1.898 1.794 2.870 . 0 0 "[ . 1 . 2 . ]" 1 229 1 73 ASP QB 1 76 ARG QD 3.400 . 5.400 2.813 1.753 4.193 . 0 0 "[ . 1 . 2 . ]" 1 230 1 74 PRO HA 1 75 GLU H 3.400 . 3.400 3.489 3.468 3.503 0.103 16 0 "[ . 1 . 2 . ]" 1 231 1 74 PRO QG 1 75 GLU H 3.400 . 4.400 2.722 2.641 2.808 . 0 0 "[ . 1 . 2 . ]" 1 232 1 74 PRO HA 1 77 TYR QB 3.400 . 4.400 2.759 2.449 2.919 . 0 0 "[ . 1 . 2 . ]" 1 233 1 74 PRO HA 1 77 TYR QD 5.000 . 7.400 4.249 3.552 4.572 . 0 0 "[ . 1 . 2 . ]" 1 234 1 75 GLU HA 1 75 GLU QG 3.400 . 4.400 2.746 2.106 3.341 . 0 0 "[ . 1 . 2 . ]" 1 235 1 75 GLU QG 1 76 ARG H 3.400 . 4.400 3.253 1.789 3.963 . 0 0 "[ . 1 . 2 . ]" 1 236 1 75 GLU HA 1 78 ARG QB 3.400 . 4.400 3.776 3.597 4.067 . 0 0 "[ . 1 . 2 . ]" 1 237 1 76 ARG QB 1 76 ARG HE . . 4.500 3.458 2.006 3.986 . 0 0 "[ . 1 . 2 . ]" 1 238 1 76 ARG HE 1 76 ARG QG 3.400 . 4.400 2.436 2.070 3.070 . 0 0 "[ . 1 . 2 . ]" 1 239 1 77 TYR HA 1 77 TYR QD 3.400 . 5.400 1.966 1.830 2.131 . 0 0 "[ . 1 . 2 . ]" 1 240 1 77 TYR HA 1 80 LEU H 5.000 . 5.300 4.880 4.063 5.312 0.012 22 0 "[ . 1 . 2 . ]" 1 241 1 77 TYR HA 1 81 ILE MG 5.000 . 5.600 2.924 2.627 3.177 . 0 0 "[ . 1 . 2 . ]" 1 242 1 77 TYR QE 1 81 ILE QG 5.000 . 7.600 4.900 4.458 5.211 . 0 0 "[ . 1 . 2 . ]" 1 243 1 77 TYR QD 1 81 ILE MG 5.000 . 7.300 2.873 2.299 3.199 . 0 0 "[ . 1 . 2 . ]" 1 244 1 77 TYR QE 1 81 ILE MD 5.000 . 7.300 4.573 3.955 4.879 . 0 0 "[ . 1 . 2 . ]" 1 245 1 77 TYR QD 1 81 ILE MD 5.000 . 7.300 5.452 4.956 5.599 . 0 0 "[ . 1 . 2 . ]" 1 246 1 78 ARG HA 1 78 ARG QG 3.400 . 4.400 3.179 1.988 3.402 . 0 0 "[ . 1 . 2 . ]" 1 247 1 78 ARG H 1 79 ALA MB 5.000 . 5.600 3.380 3.204 4.575 . 0 0 "[ . 1 . 2 . ]" 1 248 1 78 ARG HA 1 79 ALA MB 5.000 . 5.600 4.655 4.613 4.699 . 0 0 "[ . 1 . 2 . ]" 1 249 1 78 ARG HA 1 81 ILE H 5.000 . 5.300 4.179 4.027 4.325 . 0 0 "[ . 1 . 2 . ]" 1 250 1 78 ARG HA 1 81 ILE MD 5.000 . 5.600 4.556 4.177 4.731 . 0 0 "[ . 1 . 2 . ]" 1 251 1 78 ARG HA 1 81 ILE QG 3.400 . 4.400 2.879 2.469 3.065 . 0 0 "[ . 1 . 2 . ]" 1 252 1 79 ALA HA 1 80 LEU H 3.400 . 3.400 3.539 3.526 3.544 0.144 19 0 "[ . 1 . 2 . ]" 1 253 1 79 ALA HA 1 82 GLU QB 5.000 . 6.300 3.853 3.119 4.799 . 0 0 "[ . 1 . 2 . ]" 1 254 1 80 LEU H 1 80 LEU HG 5.000 . 5.300 3.121 1.861 4.361 . 0 0 "[ . 1 . 2 . ]" 1 255 1 80 LEU HA 1 80 LEU HG 3.400 . 3.400 2.545 1.960 3.475 0.075 25 0 "[ . 1 . 2 . ]" 1 256 1 80 LEU HA 1 80 LEU QD 3.400 . 5.800 2.690 1.997 3.414 . 0 0 "[ . 1 . 2 . ]" 1 257 1 80 LEU HG 1 81 ILE H 5.000 . 5.300 4.552 2.571 5.272 . 0 0 "[ . 1 . 2 . ]" 1 258 1 80 LEU HA 1 84 LEU QD 5.000 . 7.700 3.086 2.771 3.762 . 0 0 "[ . 1 . 2 . ]" 1 259 1 80 LEU HG 1 84 LEU QD 5.000 . 7.700 3.092 1.837 4.373 . 0 0 "[ . 1 . 2 . ]" 1 260 1 80 LEU QB 1 84 LEU QD 5.000 . 8.700 1.724 1.588 2.024 . 0 0 "[ . 1 . 2 . ]" 1 261 1 81 ILE H 1 81 ILE MD 5.000 . 5.600 4.179 4.061 4.290 . 0 0 "[ . 1 . 2 . ]" 1 262 1 81 ILE HA 1 81 ILE MG 3.400 . 3.700 2.770 2.740 2.821 . 0 0 "[ . 1 . 2 . ]" 1 263 1 81 ILE HA 1 81 ILE MD 3.400 . 3.700 3.044 2.823 3.118 . 0 0 "[ . 1 . 2 . ]" 1 264 1 81 ILE HA 1 81 ILE QG 3.400 . 4.400 3.398 3.372 3.438 . 0 0 "[ . 1 . 2 . ]" 1 265 1 81 ILE HB 1 81 ILE MD 3.400 . 3.700 2.181 2.099 2.239 . 0 0 "[ . 1 . 2 . ]" 1 266 1 81 ILE MD 1 82 GLU H 5.000 . 5.600 3.464 3.216 3.750 . 0 0 "[ . 1 . 2 . ]" 1 267 1 81 ILE HA 1 84 LEU QB 3.400 . 4.400 3.545 2.804 3.880 . 0 0 "[ . 1 . 2 . ]" 1 268 1 81 ILE HA 1 86 ILE HB 3.400 . 3.400 2.699 1.916 2.911 . 0 0 "[ . 1 . 2 . ]" 1 269 1 81 ILE HA 1 86 ILE MD 5.000 . 5.600 4.695 4.583 4.743 . 0 0 "[ . 1 . 2 . ]" 1 270 1 81 ILE HA 1 86 ILE QG 3.400 . 4.400 3.423 3.185 3.534 . 0 0 "[ . 1 . 2 . ]" 1 271 1 81 ILE HB 1 86 ILE H 5.000 . 5.000 4.471 3.383 4.816 . 0 0 "[ . 1 . 2 . ]" 1 272 1 81 ILE HB 1 86 ILE HB 3.400 . 3.400 3.227 1.841 3.483 0.083 3 0 "[ . 1 . 2 . ]" 1 273 1 81 ILE HB 1 86 ILE MG 5.000 . 5.600 1.685 1.578 1.841 . 0 0 "[ . 1 . 2 . ]" 1 274 1 81 ILE HB 1 86 ILE QG 3.400 . 4.400 2.536 2.331 2.782 . 0 0 "[ . 1 . 2 . ]" 1 275 1 81 ILE MG 1 86 ILE HB 5.000 . 5.600 4.271 3.356 4.461 . 0 0 "[ . 1 . 2 . ]" 1 276 1 81 ILE MG 1 86 ILE QG 3.400 . 4.700 3.506 3.177 3.569 . 0 0 "[ . 1 . 2 . ]" 1 277 1 81 ILE MD 1 87 ARG HA 5.000 . 5.600 4.658 4.321 4.728 . 0 0 "[ . 1 . 2 . ]" 1 278 1 81 ILE MD 1 88 GLY H 5.000 . 5.600 4.092 3.808 4.638 . 0 0 "[ . 1 . 2 . ]" 1 279 1 82 GLU H 1 82 GLU QG 3.400 . 4.400 3.245 2.160 4.007 . 0 0 "[ . 1 . 2 . ]" 1 280 1 82 GLU HA 1 82 GLU QG 3.400 . 4.400 2.326 1.918 3.308 . 0 0 "[ . 1 . 2 . ]" 1 281 1 83 LYS HA 1 83 LYS QG 3.400 . 4.400 2.358 2.020 2.862 . 0 0 "[ . 1 . 2 . ]" 1 282 1 83 LYS QB 1 84 LEU H 3.400 . 4.400 3.659 2.413 3.922 . 0 0 "[ . 1 . 2 . ]" 1 283 1 83 LYS QB 1 84 LEU QD 5.000 . 8.700 3.170 2.739 4.731 . 0 0 "[ . 1 . 2 . ]" 1 284 1 84 LEU HA 1 84 LEU HG 3.400 . 3.400 3.029 2.368 3.593 0.193 13 0 "[ . 1 . 2 . ]" 1 285 1 84 LEU HA 1 84 LEU QD 3.400 . 5.800 2.098 1.831 3.215 . 0 0 "[ . 1 . 2 . ]" 1 286 1 84 LEU QB 1 86 ILE H 5.000 . 6.300 3.783 3.479 4.649 . 0 0 "[ . 1 . 2 . ]" 1 287 1 86 ILE HA 1 86 ILE MG 3.400 . 3.700 3.136 3.118 3.150 . 0 0 "[ . 1 . 2 . ]" 1 288 1 86 ILE HA 1 86 ILE QG 3.400 . 4.400 3.105 2.105 3.267 . 0 0 "[ . 1 . 2 . ]" 1 289 1 86 ILE HB 1 86 ILE MD 3.400 . 3.700 2.623 2.486 3.177 . 0 0 "[ . 1 . 2 . ]" 1 290 1 86 ILE HB 1 87 ARG H 3.400 . 3.400 3.494 3.415 3.527 0.127 14 0 "[ . 1 . 2 . ]" 1 291 1 86 ILE MG 1 87 ARG H 5.000 . 5.600 1.728 1.685 1.829 . 0 0 "[ . 1 . 2 . ]" 1 292 1 86 ILE MD 1 87 ARG H 5.000 . 5.600 2.977 2.474 3.843 . 0 0 "[ . 1 . 2 . ]" 1 293 1 2 ILE H 1 2 ILE HA 2.800 . 2.800 2.818 2.759 2.933 0.133 18 0 "[ . 1 . 2 . ]" 1 294 1 2 ILE H 1 2 ILE MD 5.000 . 5.300 3.114 1.851 4.251 . 0 0 "[ . 1 . 2 . ]" 1 295 1 2 ILE H 1 2 ILE QG 2.800 . 3.800 2.068 1.818 2.634 . 0 0 "[ . 1 . 2 . ]" 1 296 1 2 ILE HB 1 3 THR H 3.500 . 3.500 3.035 1.880 3.518 0.018 11 0 "[ . 1 . 2 . ]" 1 297 1 2 ILE MG 1 3 THR H 5.000 . 5.300 2.551 1.766 4.218 . 0 0 "[ . 1 . 2 . ]" 1 298 1 3 THR H 1 3 THR HA 2.800 . 2.800 2.847 2.747 2.913 0.113 14 0 "[ . 1 . 2 . ]" 1 299 1 3 THR H 1 3 THR MG 3.500 . 3.800 3.003 2.731 3.140 . 0 0 "[ . 1 . 2 . ]" 1 300 1 3 THR HA 1 4 LYS H 2.800 . 2.800 2.815 2.528 3.327 0.527 1 2 "[+ . 1 . 2 .*]" 1 301 1 3 THR MG 1 4 LYS H 3.500 . 3.800 1.901 1.813 2.597 . 0 0 "[ . 1 . 2 . ]" 1 302 1 3 THR MG 1 5 GLU H 5.000 . 5.300 2.581 2.010 2.852 . 0 0 "[ . 1 . 2 . ]" 1 303 1 3 THR H 1 6 GLU H 5.000 . 5.000 3.351 3.045 4.109 . 0 0 "[ . 1 . 2 . ]" 1 304 1 3 THR MG 1 6 GLU H 5.000 . 5.300 2.088 1.832 4.145 . 0 0 "[ . 1 . 2 . ]" 1 305 1 4 LYS H 1 4 LYS HA 2.800 . 2.800 2.786 2.742 2.845 0.045 7 0 "[ . 1 . 2 . ]" 1 306 1 4 LYS H 1 4 LYS QB 2.800 . 3.800 2.260 2.083 2.815 . 0 0 "[ . 1 . 2 . ]" 1 307 1 4 LYS H 1 5 GLU H 5.000 . 5.000 3.339 2.679 3.631 . 0 0 "[ . 1 . 2 . ]" 1 308 1 4 LYS QB 1 5 GLU H 2.800 . 3.800 2.101 1.821 3.001 . 0 0 "[ . 1 . 2 . ]" 1 309 1 4 LYS H 1 6 GLU H 5.000 . 5.000 3.781 3.691 4.129 . 0 0 "[ . 1 . 2 . ]" 1 310 1 5 GLU H 1 5 GLU HA 2.800 . 2.800 2.925 2.917 2.930 0.130 3 0 "[ . 1 . 2 . ]" 1 311 1 5 GLU H 1 5 GLU QB 2.800 . 3.800 2.135 2.121 2.168 . 0 0 "[ . 1 . 2 . ]" 1 312 1 5 GLU H 1 6 GLU H 2.800 . 2.800 2.674 2.621 2.700 . 0 0 "[ . 1 . 2 . ]" 1 313 1 5 GLU QB 1 6 GLU H 2.800 . 3.800 3.586 3.540 3.604 . 0 0 "[ . 1 . 2 . ]" 1 314 1 5 GLU HA 1 8 GLN H 2.800 . 2.800 2.835 2.807 2.861 0.061 15 0 "[ . 1 . 2 . ]" 1 315 1 6 GLU H 1 6 GLU HA 2.800 . 2.800 2.919 2.913 2.923 0.123 1 0 "[ . 1 . 2 . ]" 1 316 1 6 GLU H 1 6 GLU HB3 3.500 . 3.500 3.515 3.486 3.543 0.043 4 0 "[ . 1 . 2 . ]" 1 317 1 6 GLU H 1 6 GLU QG 2.800 . 3.800 3.029 2.931 3.181 . 0 0 "[ . 1 . 2 . ]" 1 318 1 6 GLU H 1 7 LYS H 3.500 . 3.500 2.395 2.303 2.472 . 0 0 "[ . 1 . 2 . ]" 1 319 1 6 GLU HA 1 7 LYS H 2.800 . 2.800 3.158 3.131 3.190 0.390 1 0 "[ . 1 . 2 . ]" 1 320 1 7 LYS H 1 7 LYS HA 2.800 . 2.800 2.945 2.899 2.963 0.163 5 0 "[ . 1 . 2 . ]" 1 321 1 7 LYS H 1 7 LYS QB 2.800 . 3.800 2.910 2.540 3.315 . 0 0 "[ . 1 . 2 . ]" 1 322 1 7 LYS H 1 7 LYS QG 2.800 . 3.800 2.583 1.875 3.480 . 0 0 "[ . 1 . 2 . ]" 1 323 1 7 LYS HA 1 8 GLN H 3.500 . 3.500 3.445 3.246 3.536 0.036 20 0 "[ . 1 . 2 . ]" 1 324 1 7 LYS QB 1 8 GLN H 2.800 . 3.800 3.435 3.145 3.504 . 0 0 "[ . 1 . 2 . ]" 1 325 1 7 LYS HA 1 10 VAL H 5.000 . 5.000 3.004 2.627 3.486 . 0 0 "[ . 1 . 2 . ]" 1 326 1 8 GLN H 1 8 GLN HA 2.800 . 2.800 2.813 2.775 2.859 0.059 20 0 "[ . 1 . 2 . ]" 1 327 1 8 GLN H 1 8 GLN QB 2.800 . 3.800 2.306 2.061 2.710 . 0 0 "[ . 1 . 2 . ]" 1 328 1 8 GLN H 1 8 GLN QG 2.800 . 3.800 2.653 1.875 3.346 . 0 0 "[ . 1 . 2 . ]" 1 329 1 8 GLN H 1 9 LYS H 2.800 . 2.800 2.779 2.671 2.831 0.031 23 0 "[ . 1 . 2 . ]" 1 330 1 9 LYS H 1 9 LYS HA 2.800 . 2.800 2.875 2.813 2.970 0.170 10 0 "[ . 1 . 2 . ]" 1 331 1 9 LYS H 1 9 LYS QB 2.800 . 3.800 2.666 2.061 3.417 . 0 0 "[ . 1 . 2 . ]" 1 332 1 9 LYS H 1 10 VAL H 3.500 . 3.500 2.208 1.852 2.635 . 0 0 "[ . 1 . 2 . ]" 1 333 1 10 VAL H 1 10 VAL HA 2.800 . 2.800 2.887 2.838 2.932 0.132 1 0 "[ . 1 . 2 . ]" 1 334 1 10 VAL H 1 10 VAL HB 2.800 . 2.800 2.461 2.347 2.658 . 0 0 "[ . 1 . 2 . ]" 1 335 1 10 VAL H 1 10 VAL QG 2.800 . 5.200 2.314 1.933 2.535 . 0 0 "[ . 1 . 2 . ]" 1 336 1 10 VAL H 1 11 ILE H 2.800 . 2.800 2.751 2.461 2.836 0.036 1 0 "[ . 1 . 2 . ]" 1 337 1 10 VAL HA 1 11 ILE H 3.500 . 3.500 3.558 3.531 3.569 0.069 6 0 "[ . 1 . 2 . ]" 1 338 1 10 VAL HB 1 11 ILE H 2.800 . 2.800 2.253 1.927 2.795 . 0 0 "[ . 1 . 2 . ]" 1 339 1 11 ILE H 1 11 ILE HA 2.800 . 2.800 2.890 2.867 2.926 0.126 12 0 "[ . 1 . 2 . ]" 1 340 1 11 ILE H 1 11 ILE HB 3.500 . 3.500 3.559 3.545 3.601 0.101 12 0 "[ . 1 . 2 . ]" 1 341 1 11 ILE H 1 11 ILE MG 2.800 . 3.100 1.782 1.770 1.819 . 0 0 "[ . 1 . 2 . ]" 1 342 1 11 ILE H 1 11 ILE MD 2.800 . 3.100 1.846 1.830 1.867 . 0 0 "[ . 1 . 2 . ]" 1 343 1 11 ILE HA 1 12 GLN H 3.500 . 3.500 3.484 3.473 3.501 0.001 2 0 "[ . 1 . 2 . ]" 1 344 1 11 ILE MG 1 12 GLN H 3.500 . 3.800 3.187 3.134 3.247 . 0 0 "[ . 1 . 2 . ]" 1 345 1 11 ILE MD 1 12 GLN H 3.500 . 3.800 1.765 1.752 1.806 . 0 0 "[ . 1 . 2 . ]" 1 346 1 11 ILE HA 1 14 PHE H 5.000 . 5.000 2.624 2.600 2.646 . 0 0 "[ . 1 . 2 . ]" 1 347 1 11 ILE HA 1 15 ALA H 5.000 . 5.000 1.843 1.825 1.870 . 0 0 "[ . 1 . 2 . ]" 1 348 1 11 ILE MG 1 15 ALA H 5.000 . 5.300 3.822 3.761 3.863 . 0 0 "[ . 1 . 2 . ]" 1 349 1 11 ILE MD 1 15 ALA H 5.000 . 5.300 4.567 4.546 4.587 . 0 0 "[ . 1 . 2 . ]" 1 350 1 12 GLN H 1 12 GLN HA 2.800 . 2.800 2.744 2.728 2.752 . 0 0 "[ . 1 . 2 . ]" 1 351 1 12 GLN H 1 12 GLN QB 2.800 . 3.800 2.310 2.141 2.566 . 0 0 "[ . 1 . 2 . ]" 1 352 1 12 GLN H 1 12 GLN QG 2.800 . 3.800 2.750 2.210 3.302 . 0 0 "[ . 1 . 2 . ]" 1 353 1 12 GLN H 1 13 GLU H 2.800 . 2.800 2.876 2.855 2.916 0.116 11 0 "[ . 1 . 2 . ]" 1 354 1 12 GLN QG 1 13 GLU H 5.000 . 6.000 3.476 1.848 4.535 . 0 0 "[ . 1 . 2 . ]" 1 355 1 13 GLU H 1 13 GLU HA 2.800 . 2.800 2.942 2.939 2.945 0.145 6 0 "[ . 1 . 2 . ]" 1 356 1 13 GLU H 1 13 GLU QB 2.800 . 3.800 2.288 2.173 2.522 . 0 0 "[ . 1 . 2 . ]" 1 357 1 13 GLU HA 1 14 PHE H 3.500 . 3.500 3.524 3.515 3.530 0.030 22 0 "[ . 1 . 2 . ]" 1 358 1 13 GLU QB 1 14 PHE H 2.800 . 3.800 2.656 2.588 2.746 . 0 0 "[ . 1 . 2 . ]" 1 359 1 14 PHE H 1 14 PHE HA 2.800 . 2.800 2.922 2.913 2.927 0.127 14 0 "[ . 1 . 2 . ]" 1 360 1 14 PHE H 1 14 PHE HB3 3.500 . 3.500 3.553 3.511 3.575 0.075 23 0 "[ . 1 . 2 . ]" 1 361 1 14 PHE H 1 14 PHE HB2 2.800 . 2.800 2.267 2.205 2.309 . 0 0 "[ . 1 . 2 . ]" 1 362 1 14 PHE H 1 14 PHE QD 3.500 . 5.500 2.973 2.202 3.528 . 0 0 "[ . 1 . 2 . ]" 1 363 1 14 PHE H 1 14 PHE QE 5.000 . 7.000 4.900 4.553 5.180 . 0 0 "[ . 1 . 2 . ]" 1 364 1 14 PHE H 1 15 ALA MB 5.000 . 5.300 4.296 4.094 4.368 . 0 0 "[ . 1 . 2 . ]" 1 365 1 14 PHE HA 1 15 ALA H 3.500 . 3.500 3.582 3.571 3.591 0.091 2 0 "[ . 1 . 2 . ]" 1 366 1 14 PHE HB2 1 15 ALA H 5.000 . 5.000 2.252 2.130 2.454 . 0 0 "[ . 1 . 2 . ]" 1 367 1 14 PHE HB3 1 15 ALA H 2.800 . 2.800 2.789 2.647 2.842 0.042 23 0 "[ . 1 . 2 . ]" 1 368 1 14 PHE QD 1 15 ALA H 5.000 . 7.000 4.201 4.095 4.330 . 0 0 "[ . 1 . 2 . ]" 1 369 1 14 PHE QE 1 84 LEU H 5.000 . 7.000 5.472 4.605 6.416 . 0 0 "[ . 1 . 2 . ]" 1 370 1 15 ALA H 1 15 ALA HA 2.800 . 2.800 2.824 2.653 2.877 0.077 20 0 "[ . 1 . 2 . ]" 1 371 1 15 ALA H 1 15 ALA MB 2.800 . 3.100 2.250 2.113 2.342 . 0 0 "[ . 1 . 2 . ]" 1 372 1 15 ALA H 1 16 ARG H 5.000 . 5.000 4.495 3.692 4.644 . 0 0 "[ . 1 . 2 . ]" 1 373 1 15 ALA MB 1 16 ARG H 5.000 . 5.300 3.086 1.901 3.320 . 0 0 "[ . 1 . 2 . ]" 1 374 1 15 ALA MB 1 17 PHE H 3.500 . 3.800 2.506 2.048 2.672 . 0 0 "[ . 1 . 2 . ]" 1 375 1 15 ALA MB 1 19 GLY H 5.000 . 5.300 4.220 4.145 4.314 . 0 0 "[ . 1 . 2 . ]" 1 376 1 15 ALA MB 1 20 ASP H 3.500 . 3.800 2.879 2.785 3.265 . 0 0 "[ . 1 . 2 . ]" 1 377 1 16 ARG H 1 17 PHE H 3.500 . 3.500 2.761 2.404 2.854 . 0 0 "[ . 1 . 2 . ]" 1 378 1 16 ARG QB 1 17 PHE H 5.000 . 6.000 3.944 3.684 4.014 . 0 0 "[ . 1 . 2 . ]" 1 379 1 16 ARG QG 1 17 PHE H 3.500 . 4.500 3.598 3.364 4.211 . 0 0 "[ . 1 . 2 . ]" 1 380 1 17 PHE H 1 17 PHE QB 3.500 . 4.500 2.817 2.332 2.912 . 0 0 "[ . 1 . 2 . ]" 1 381 1 17 PHE H 1 20 ASP H 3.500 . 3.500 3.364 3.201 3.479 . 0 0 "[ . 1 . 2 . ]" 1 382 1 17 PHE H 1 21 THR H 5.000 . 5.000 5.155 5.126 5.207 0.207 6 0 "[ . 1 . 2 . ]" 1 383 1 18 PRO QB 1 19 GLY H 3.500 . 4.500 3.713 3.639 3.818 . 0 0 "[ . 1 . 2 . ]" 1 384 1 19 GLY H 1 20 ASP H 2.800 . 2.800 1.854 1.831 1.969 . 0 0 "[ . 1 . 2 . ]" 1 385 1 19 GLY QA 1 20 ASP H 2.800 . 3.800 2.939 2.823 2.956 . 0 0 "[ . 1 . 2 . ]" 1 386 1 20 ASP H 1 20 ASP HA 2.800 . 2.800 2.903 2.580 2.937 0.137 22 0 "[ . 1 . 2 . ]" 1 387 1 20 ASP H 1 20 ASP QB 2.800 . 3.800 2.261 2.172 2.512 . 0 0 "[ . 1 . 2 . ]" 1 388 1 20 ASP H 1 21 THR H 3.500 . 3.500 2.787 2.615 3.927 0.427 6 0 "[ . 1 . 2 . ]" 1 389 1 20 ASP HA 1 21 THR H 2.800 . 2.800 2.918 2.095 3.021 0.221 15 0 "[ . 1 . 2 . ]" 1 390 1 20 ASP HA 1 22 GLY H 3.500 . 3.500 3.517 3.328 3.586 0.086 11 0 "[ . 1 . 2 . ]" 1 391 1 21 THR H 1 21 THR MG 3.500 . 3.800 1.952 1.792 2.235 . 0 0 "[ . 1 . 2 . ]" 1 392 1 21 THR H 1 22 GLY H 2.800 . 2.800 2.150 1.730 2.231 . 0 0 "[ . 1 . 2 . ]" 1 393 1 21 THR MG 1 22 GLY H 5.000 . 5.300 2.797 2.027 3.741 . 0 0 "[ . 1 . 2 . ]" 1 394 1 21 THR H 1 23 SER H 3.500 . 3.500 3.561 3.056 3.623 0.123 9 0 "[ . 1 . 2 . ]" 1 395 1 22 GLY H 1 23 SER H 2.800 . 2.800 2.267 2.161 2.417 . 0 0 "[ . 1 . 2 . ]" 1 396 1 22 GLY QA 1 23 SER H 3.500 . 4.500 2.906 2.546 2.938 . 0 0 "[ . 1 . 2 . ]" 1 397 1 23 SER H 1 23 SER QB 2.800 . 3.800 2.247 2.070 2.791 . 0 0 "[ . 1 . 2 . ]" 1 398 1 23 SER QB 1 24 THR H 3.500 . 4.500 2.776 1.975 3.890 . 0 0 "[ . 1 . 2 . ]" 1 399 1 23 SER H 1 26 VAL H 5.000 . 5.000 4.475 3.600 4.761 . 0 0 "[ . 1 . 2 . ]" 1 400 1 23 SER H 1 26 VAL HB 3.500 . 3.500 3.478 2.794 3.532 0.032 23 0 "[ . 1 . 2 . ]" 1 401 1 23 SER H 1 26 VAL QG 5.000 . 7.400 3.299 1.896 3.834 . 0 0 "[ . 1 . 2 . ]" 1 402 1 23 SER QB 1 26 VAL H 5.000 . 6.000 3.039 2.307 3.980 . 0 0 "[ . 1 . 2 . ]" 1 403 1 24 THR HB 1 25 GLU H 3.500 . 3.500 2.935 1.969 3.294 . 0 0 "[ . 1 . 2 . ]" 1 404 1 24 THR MG 1 25 GLU H 5.000 . 5.300 3.462 2.101 3.722 . 0 0 "[ . 1 . 2 . ]" 1 405 1 24 THR MG 1 28 VAL H 5.000 . 5.300 3.706 3.438 3.927 . 0 0 "[ . 1 . 2 . ]" 1 406 1 25 GLU H 1 25 GLU HB2 3.500 . 3.500 2.337 2.191 2.656 . 0 0 "[ . 1 . 2 . ]" 1 407 1 25 GLU H 1 25 GLU HB3 3.500 . 3.500 3.565 3.516 3.613 0.113 6 0 "[ . 1 . 2 . ]" 1 408 1 25 GLU H 1 26 VAL H 5.000 . 5.000 2.772 2.499 3.054 . 0 0 "[ . 1 . 2 . ]" 1 409 1 25 GLU HA 1 26 VAL H 5.000 . 5.000 3.568 3.545 3.582 . 0 0 "[ . 1 . 2 . ]" 1 410 1 25 GLU HB2 1 26 VAL H 2.800 . 2.800 2.357 2.111 2.575 . 0 0 "[ . 1 . 2 . ]" 1 411 1 25 GLU QG 1 26 VAL H 3.500 . 4.500 4.083 3.993 4.118 . 0 0 "[ . 1 . 2 . ]" 1 412 1 26 VAL H 1 26 VAL HA 2.800 . 2.800 2.815 2.767 2.861 0.061 8 0 "[ . 1 . 2 . ]" 1 413 1 26 VAL H 1 26 VAL HB 2.800 . 2.800 2.565 2.338 2.836 0.036 11 0 "[ . 1 . 2 . ]" 1 414 1 26 VAL H 1 26 VAL QG 3.500 . 5.900 2.180 1.832 2.435 . 0 0 "[ . 1 . 2 . ]" 1 415 1 26 VAL H 1 27 GLN H 2.800 . 2.800 2.790 2.672 2.851 0.051 6 0 "[ . 1 . 2 . ]" 1 416 1 26 VAL QG 1 27 GLN H 3.500 . 5.900 3.295 3.153 3.435 . 0 0 "[ . 1 . 2 . ]" 1 417 1 26 VAL H 1 29 ALA H 5.000 . 5.000 4.999 4.875 5.056 0.056 20 0 "[ . 1 . 2 . ]" 1 418 1 26 VAL HA 1 29 ALA H 3.500 . 3.500 3.538 3.484 3.585 0.085 8 0 "[ . 1 . 2 . ]" 1 419 1 26 VAL QG 1 29 ALA H 5.000 . 7.400 4.195 4.065 4.322 . 0 0 "[ . 1 . 2 . ]" 1 420 1 26 VAL HA 1 30 LEU H 5.000 . 5.000 4.673 4.424 4.848 . 0 0 "[ . 1 . 2 . ]" 1 421 1 27 GLN H 1 27 GLN HA 2.800 . 2.800 2.879 2.843 2.908 0.108 8 0 "[ . 1 . 2 . ]" 1 422 1 27 GLN H 1 27 GLN QB 2.800 . 3.800 2.426 2.119 2.647 . 0 0 "[ . 1 . 2 . ]" 1 423 1 27 GLN H 1 27 GLN QG 2.800 . 3.800 2.335 1.858 3.153 . 0 0 "[ . 1 . 2 . ]" 1 424 1 27 GLN H 1 27 GLN QE 5.000 . 6.000 4.727 3.471 5.288 . 0 0 "[ . 1 . 2 . ]" 1 425 1 27 GLN QE 1 27 GLN QG 2.800 . 4.800 2.315 2.182 2.604 . 0 0 "[ . 1 . 2 . ]" 1 426 1 27 GLN H 1 28 VAL H 2.800 . 2.800 2.654 2.467 2.782 . 0 0 "[ . 1 . 2 . ]" 1 427 1 27 GLN HA 1 28 VAL H 5.000 . 5.000 3.565 3.476 3.584 . 0 0 "[ . 1 . 2 . ]" 1 428 1 27 GLN QG 1 28 VAL H 5.000 . 6.000 3.467 1.783 4.309 . 0 0 "[ . 1 . 2 . ]" 1 429 1 27 GLN HA 1 30 LEU H 2.800 . 2.800 2.910 2.886 2.935 0.135 16 0 "[ . 1 . 2 . ]" 1 430 1 28 VAL H 1 28 VAL HA 2.800 . 2.800 2.806 2.792 2.865 0.065 7 0 "[ . 1 . 2 . ]" 1 431 1 28 VAL H 1 28 VAL HB 2.800 . 2.800 2.458 2.339 2.526 . 0 0 "[ . 1 . 2 . ]" 1 432 1 28 VAL H 1 28 VAL QG 3.500 . 5.900 2.251 2.148 2.398 . 0 0 "[ . 1 . 2 . ]" 1 433 1 28 VAL H 1 29 ALA H 2.800 . 2.800 2.762 2.555 2.803 0.003 23 0 "[ . 1 . 2 . ]" 1 434 1 28 VAL HB 1 29 ALA H 2.800 . 2.800 2.808 2.788 2.821 0.021 17 0 "[ . 1 . 2 . ]" 1 435 1 28 VAL QG 1 29 ALA H 5.000 . 7.400 3.237 3.161 3.302 . 0 0 "[ . 1 . 2 . ]" 1 436 1 28 VAL HA 1 31 LEU H 3.500 . 3.500 3.300 3.215 3.382 . 0 0 "[ . 1 . 2 . ]" 1 437 1 29 ALA H 1 29 ALA HA 2.800 . 2.800 2.881 2.871 2.894 0.094 7 0 "[ . 1 . 2 . ]" 1 438 1 29 ALA H 1 29 ALA MB 2.800 . 3.100 2.170 2.061 2.270 . 0 0 "[ . 1 . 2 . ]" 1 439 1 29 ALA H 1 30 LEU HB3 5.000 . 5.000 4.709 4.686 4.738 . 0 0 "[ . 1 . 2 . ]" 1 440 1 29 ALA HA 1 30 LEU H 3.500 . 3.500 3.563 3.555 3.569 0.069 17 0 "[ . 1 . 2 . ]" 1 441 1 29 ALA MB 1 30 LEU H 3.500 . 3.800 2.509 2.431 2.645 . 0 0 "[ . 1 . 2 . ]" 1 442 1 29 ALA HA 1 33 LEU H 5.000 . 5.000 5.009 4.779 5.046 0.046 15 0 "[ . 1 . 2 . ]" 1 443 1 30 LEU H 1 30 LEU HA 2.800 . 2.800 2.874 2.863 2.903 0.103 7 0 "[ . 1 . 2 . ]" 1 444 1 30 LEU H 1 30 LEU HB3 3.500 . 3.500 2.273 2.254 2.350 . 0 0 "[ . 1 . 2 . ]" 1 445 1 30 LEU H 1 30 LEU HB2 3.500 . 3.500 3.558 3.549 3.589 0.089 7 0 "[ . 1 . 2 . ]" 1 446 1 30 LEU H 1 30 LEU QD 3.500 . 5.900 3.119 3.029 3.177 . 0 0 "[ . 1 . 2 . ]" 1 447 1 30 LEU H 1 31 LEU H 3.500 . 3.500 2.550 2.465 2.573 . 0 0 "[ . 1 . 2 . ]" 1 448 1 30 LEU HA 1 33 LEU H 3.500 . 3.500 3.126 2.965 3.337 . 0 0 "[ . 1 . 2 . ]" 1 449 1 31 LEU H 1 31 LEU HA 2.800 . 2.800 2.876 2.860 2.904 0.104 18 0 "[ . 1 . 2 . ]" 1 450 1 31 LEU H 1 31 LEU HB3 3.500 . 3.500 2.228 2.204 2.287 . 0 0 "[ . 1 . 2 . ]" 1 451 1 31 LEU H 1 31 LEU HB2 3.500 . 3.500 3.532 3.520 3.563 0.063 23 0 "[ . 1 . 2 . ]" 1 452 1 31 LEU H 1 31 LEU QD 3.500 . 5.900 3.268 3.246 3.279 . 0 0 "[ . 1 . 2 . ]" 1 453 1 31 LEU QD 1 62 ARG H 5.000 . 7.400 4.019 3.251 5.166 . 0 0 "[ . 1 . 2 . ]" 1 454 1 32 THR H 1 32 THR HB 2.800 . 2.800 2.192 2.076 2.263 . 0 0 "[ . 1 . 2 . ]" 1 455 1 32 THR H 1 32 THR MG 3.500 . 3.800 2.791 2.592 3.168 . 0 0 "[ . 1 . 2 . ]" 1 456 1 32 THR H 1 33 LEU H 2.800 . 2.800 2.559 2.450 2.639 . 0 0 "[ . 1 . 2 . ]" 1 457 1 32 THR HA 1 33 LEU H 5.000 . 5.000 3.558 3.534 3.581 . 0 0 "[ . 1 . 2 . ]" 1 458 1 32 THR HB 1 33 LEU H 3.500 . 3.500 3.435 3.061 3.543 0.043 19 0 "[ . 1 . 2 . ]" 1 459 1 32 THR HA 1 35 ILE H 3.500 . 3.500 3.475 3.387 3.527 0.027 7 0 "[ . 1 . 2 . ]" 1 460 1 32 THR HA 1 36 ASN H 5.000 . 5.000 4.323 4.221 4.601 . 0 0 "[ . 1 . 2 . ]" 1 461 1 32 THR MG 1 33 LEU H 5.000 . 6.300 1.951 1.812 2.292 . 0 0 "[ . 1 . 2 . ]" 1 462 1 32 THR MG 1 36 ASN QD 3.500 . 4.800 2.825 2.164 3.317 . 0 0 "[ . 1 . 2 . ]" 1 463 1 33 LEU H 1 33 LEU HA 2.800 . 2.800 2.823 2.809 2.850 0.050 8 0 "[ . 1 . 2 . ]" 1 464 1 33 LEU H 1 33 LEU HG 5.000 . 5.000 3.951 2.565 4.474 . 0 0 "[ . 1 . 2 . ]" 1 465 1 33 LEU H 1 33 LEU QB 2.800 . 3.800 2.173 2.064 2.282 . 0 0 "[ . 1 . 2 . ]" 1 466 1 33 LEU H 1 33 LEU QD 3.500 . 5.900 3.167 2.098 3.741 . 0 0 "[ . 1 . 2 . ]" 1 467 1 33 LEU HA 1 34 ARG H 5.000 . 5.000 3.586 3.560 3.591 . 0 0 "[ . 1 . 2 . ]" 1 468 1 33 LEU H 1 35 ILE H 5.000 . 5.000 3.859 3.787 3.921 . 0 0 "[ . 1 . 2 . ]" 1 469 1 33 LEU HA 1 36 ASN H 3.500 . 3.500 3.472 3.280 3.540 0.040 4 0 "[ . 1 . 2 . ]" 1 470 1 33 LEU HA 1 36 ASN QD 3.500 . 4.500 2.942 1.755 3.878 . 0 0 "[ . 1 . 2 . ]" 1 471 1 34 ARG H 1 34 ARG HA 2.800 . 2.800 2.813 2.763 2.862 0.062 23 0 "[ . 1 . 2 . ]" 1 472 1 34 ARG H 1 34 ARG QB 2.800 . 3.800 2.215 2.065 2.662 . 0 0 "[ . 1 . 2 . ]" 1 473 1 34 ARG H 1 34 ARG QD 3.500 . 4.500 3.441 2.175 4.061 . 0 0 "[ . 1 . 2 . ]" 1 474 1 34 ARG H 1 35 ILE H 3.500 . 3.500 2.765 2.619 2.874 . 0 0 "[ . 1 . 2 . ]" 1 475 1 34 ARG QB 1 35 ILE H 2.800 . 3.800 3.060 2.925 3.184 . 0 0 "[ . 1 . 2 . ]" 1 476 1 35 ILE H 1 35 ILE HA 2.800 . 2.800 2.889 2.857 2.916 0.116 11 0 "[ . 1 . 2 . ]" 1 477 1 35 ILE H 1 35 ILE HB 2.800 . 2.800 2.036 2.008 2.077 . 0 0 "[ . 1 . 2 . ]" 1 478 1 35 ILE H 1 35 ILE MG 3.500 . 3.800 3.302 3.265 3.346 . 0 0 "[ . 1 . 2 . ]" 1 479 1 35 ILE H 1 35 ILE MD 5.000 . 5.300 2.972 2.617 3.332 . 0 0 "[ . 1 . 2 . ]" 1 480 1 35 ILE H 1 36 ASN H 3.500 . 3.500 2.577 2.440 2.770 . 0 0 "[ . 1 . 2 . ]" 1 481 1 35 ILE HB 1 36 ASN H 2.800 . 2.800 2.844 2.809 2.872 0.072 11 0 "[ . 1 . 2 . ]" 1 482 1 35 ILE MG 1 36 ASN H 3.500 . 3.800 2.102 1.860 2.414 . 0 0 "[ . 1 . 2 . ]" 1 483 1 35 ILE MD 1 36 ASN H 5.000 . 5.300 4.399 4.331 4.429 . 0 0 "[ . 1 . 2 . ]" 1 484 1 35 ILE HA 1 38 LEU H 5.000 . 5.000 3.744 3.668 3.813 . 0 0 "[ . 1 . 2 . ]" 1 485 1 36 ASN H 1 36 ASN HA 2.800 . 2.800 2.839 2.831 2.847 0.047 25 0 "[ . 1 . 2 . ]" 1 486 1 36 ASN H 1 36 ASN QB 2.800 . 3.800 2.407 2.189 2.751 . 0 0 "[ . 1 . 2 . ]" 1 487 1 36 ASN H 1 36 ASN QD 5.000 . 6.000 2.981 2.192 3.684 . 0 0 "[ . 1 . 2 . ]" 1 488 1 36 ASN QB 1 36 ASN QD 2.800 . 4.800 2.252 2.174 2.695 . 0 0 "[ . 1 . 2 . ]" 1 489 1 36 ASN HA 1 37 ARG H 5.000 . 5.000 3.570 3.556 3.589 . 0 0 "[ . 1 . 2 . ]" 1 490 1 36 ASN QB 1 37 ARG H 2.800 . 3.800 2.660 2.427 3.458 . 0 0 "[ . 1 . 2 . ]" 1 491 1 36 ASN HA 1 39 SER H 5.000 . 5.000 3.926 3.864 3.980 . 0 0 "[ . 1 . 2 . ]" 1 492 1 37 ARG H 1 37 ARG HA 2.800 . 2.800 2.909 2.902 2.918 0.118 12 0 "[ . 1 . 2 . ]" 1 493 1 37 ARG H 1 37 ARG QB 2.800 . 3.800 2.160 2.128 2.272 . 0 0 "[ . 1 . 2 . ]" 1 494 1 37 ARG HA 1 38 LEU H 2.800 . 2.800 3.108 3.093 3.131 0.331 11 0 "[ . 1 . 2 . ]" 1 495 1 37 ARG QB 1 38 LEU H 2.800 . 3.800 3.506 3.475 3.521 . 0 0 "[ . 1 . 2 . ]" 1 496 1 38 LEU H 1 38 LEU HA 2.800 . 2.800 2.936 2.933 2.938 0.138 2 0 "[ . 1 . 2 . ]" 1 497 1 38 LEU H 1 38 LEU QB 2.800 . 3.800 2.257 2.178 2.353 . 0 0 "[ . 1 . 2 . ]" 1 498 1 38 LEU H 1 38 LEU QD 2.800 . 5.200 3.428 2.952 3.801 . 0 0 "[ . 1 . 2 . ]" 1 499 1 38 LEU H 1 39 SER H 2.800 . 2.800 2.239 2.185 2.305 . 0 0 "[ . 1 . 2 . ]" 1 500 1 38 LEU QB 1 39 SER H 2.800 . 3.800 2.724 2.465 2.969 . 0 0 "[ . 1 . 2 . ]" 1 501 1 38 LEU QD 1 39 SER H 5.000 . 7.400 3.808 3.286 4.122 . 0 0 "[ . 1 . 2 . ]" 1 502 1 38 LEU QD 1 41 HIS H 5.000 . 7.400 4.239 3.516 4.893 . 0 0 "[ . 1 . 2 . ]" 1 503 1 39 SER H 1 39 SER QB 2.800 . 3.800 2.267 2.210 2.327 . 0 0 "[ . 1 . 2 . ]" 1 504 1 39 SER H 1 40 GLU H 2.800 . 2.800 2.573 2.335 2.807 0.007 19 0 "[ . 1 . 2 . ]" 1 505 1 40 GLU H 1 40 GLU HA 2.800 . 2.800 2.930 2.900 2.936 0.136 8 0 "[ . 1 . 2 . ]" 1 506 1 40 GLU H 1 40 GLU QB 2.800 . 3.800 2.208 2.135 2.781 . 0 0 "[ . 1 . 2 . ]" 1 507 1 40 GLU H 1 41 HIS H 3.500 . 3.500 2.580 1.845 2.687 . 0 0 "[ . 1 . 2 . ]" 1 508 1 40 GLU HA 1 41 HIS H 2.800 . 2.800 3.001 2.958 3.026 0.226 11 0 "[ . 1 . 2 . ]" 1 509 1 40 GLU QB 1 41 HIS H 2.800 . 3.800 3.610 3.590 3.649 . 0 0 "[ . 1 . 2 . ]" 1 510 1 41 HIS H 1 41 HIS HA 2.800 . 2.800 2.913 2.859 2.935 0.135 13 0 "[ . 1 . 2 . ]" 1 511 1 41 HIS H 1 41 HIS QB 2.800 . 3.800 2.177 2.100 2.419 . 0 0 "[ . 1 . 2 . ]" 1 512 1 41 HIS H 1 42 LEU H 3.500 . 3.500 2.818 2.312 3.197 . 0 0 "[ . 1 . 2 . ]" 1 513 1 41 HIS HA 1 42 LEU H 3.500 . 3.500 3.545 3.497 3.568 0.068 16 0 "[ . 1 . 2 . ]" 1 514 1 41 HIS QB 1 42 LEU H 2.800 . 3.800 2.154 1.846 3.517 . 0 0 "[ . 1 . 2 . ]" 1 515 1 42 LEU H 1 42 LEU HA 2.800 . 2.800 2.876 2.860 2.922 0.122 22 0 "[ . 1 . 2 . ]" 1 516 1 42 LEU H 1 42 LEU HB2 3.500 . 3.500 2.421 2.222 2.816 . 0 0 "[ . 1 . 2 . ]" 1 517 1 42 LEU H 1 42 LEU HB3 3.500 . 3.500 3.563 3.531 3.589 0.089 1 0 "[ . 1 . 2 . ]" 1 518 1 42 LEU H 1 42 LEU QD 2.800 . 5.200 2.383 1.829 3.113 . 0 0 "[ . 1 . 2 . ]" 1 519 1 42 LEU H 1 43 LYS H 2.800 . 2.800 2.640 2.436 2.710 . 0 0 "[ . 1 . 2 . ]" 1 520 1 43 LYS H 1 43 LYS HA 2.800 . 2.800 2.917 2.913 2.923 0.123 24 0 "[ . 1 . 2 . ]" 1 521 1 43 LYS H 1 43 LYS QB 2.800 . 3.800 2.130 2.109 2.247 . 0 0 "[ . 1 . 2 . ]" 1 522 1 43 LYS H 1 43 LYS QG 2.800 . 3.800 3.323 3.022 3.460 . 0 0 "[ . 1 . 2 . ]" 1 523 1 43 LYS H 1 44 VAL H 3.500 . 3.500 2.705 2.695 2.724 . 0 0 "[ . 1 . 2 . ]" 1 524 1 43 LYS HA 1 44 VAL H 2.800 . 2.800 3.028 3.006 3.043 0.243 19 0 "[ . 1 . 2 . ]" 1 525 1 43 LYS QB 1 44 VAL H 2.800 . 3.800 3.576 3.555 3.590 . 0 0 "[ . 1 . 2 . ]" 1 526 1 44 VAL H 1 44 VAL HA 2.800 . 2.800 2.900 2.894 2.907 0.107 10 0 "[ . 1 . 2 . ]" 1 527 1 44 VAL H 1 44 VAL HB 2.800 . 2.800 2.865 2.845 2.882 0.082 23 0 "[ . 1 . 2 . ]" 1 528 1 44 VAL H 1 44 VAL QG 2.800 . 5.200 3.161 3.127 3.188 . 0 0 "[ . 1 . 2 . ]" 1 529 1 44 VAL H 1 45 HIS H 2.800 . 2.800 1.834 1.814 1.843 . 0 0 "[ . 1 . 2 . ]" 1 530 1 44 VAL HB 1 45 HIS H 2.800 . 2.800 2.644 2.606 2.677 . 0 0 "[ . 1 . 2 . ]" 1 531 1 44 VAL QG 1 45 HIS H 3.500 . 5.900 3.094 3.041 3.146 . 0 0 "[ . 1 . 2 . ]" 1 532 1 45 HIS H 1 45 HIS HA 2.800 . 2.800 2.793 2.752 2.841 0.041 13 0 "[ . 1 . 2 . ]" 1 533 1 45 HIS H 1 45 HIS HB3 3.500 . 3.500 3.522 3.495 3.545 0.045 23 0 "[ . 1 . 2 . ]" 1 534 1 45 HIS H 1 45 HIS HB2 3.500 . 3.500 2.211 2.165 2.252 . 0 0 "[ . 1 . 2 . ]" 1 535 1 46 LYS H 1 46 LYS HA 2.800 . 2.800 2.677 2.346 2.964 0.164 9 0 "[ . 1 . 2 . ]" 1 536 1 46 LYS H 1 46 LYS QB 2.800 . 3.800 2.999 2.126 3.465 . 0 0 "[ . 1 . 2 . ]" 1 537 1 46 LYS H 1 46 LYS QG 2.800 . 3.800 2.695 1.902 3.450 . 0 0 "[ . 1 . 2 . ]" 1 538 1 46 LYS H 1 47 LYS H 3.500 . 3.500 2.714 1.833 3.529 0.029 16 0 "[ . 1 . 2 . ]" 1 539 1 47 LYS H 1 47 LYS HA 2.800 . 2.800 2.677 2.346 2.901 0.101 8 0 "[ . 1 . 2 . ]" 1 540 1 47 LYS H 1 47 LYS QB 2.800 . 3.800 3.353 2.851 3.505 . 0 0 "[ . 1 . 2 . ]" 1 541 1 47 LYS H 1 47 LYS QG 2.800 . 3.800 2.733 2.386 3.453 . 0 0 "[ . 1 . 2 . ]" 1 542 1 47 LYS H 1 48 ASP H 2.800 . 2.800 2.546 1.864 2.824 0.024 16 0 "[ . 1 . 2 . ]" 1 543 1 48 ASP H 1 48 ASP HA 2.800 . 2.800 2.808 2.357 2.893 0.093 18 0 "[ . 1 . 2 . ]" 1 544 1 48 ASP H 1 48 ASP QB 2.800 . 3.800 2.667 2.076 3.086 . 0 0 "[ . 1 . 2 . ]" 1 545 1 48 ASP H 1 49 HIS H 3.500 . 3.500 2.785 1.863 3.452 . 0 0 "[ . 1 . 2 . ]" 1 546 1 48 ASP QB 1 49 HIS H 5.000 . 6.000 3.235 1.869 3.992 . 0 0 "[ . 1 . 2 . ]" 1 547 1 49 HIS H 1 49 HIS HA 2.800 . 2.800 2.584 2.345 2.857 0.057 18 0 "[ . 1 . 2 . ]" 1 548 1 49 HIS H 1 49 HIS QB 2.800 . 3.800 2.805 2.070 3.451 . 0 0 "[ . 1 . 2 . ]" 1 549 1 50 HIS H 1 50 HIS QB 2.800 . 3.800 2.689 2.189 3.113 . 0 0 "[ . 1 . 2 . ]" 1 550 1 50 HIS H 1 51 SER H 2.800 . 2.800 2.264 1.887 2.732 . 0 0 "[ . 1 . 2 . ]" 1 551 1 50 HIS HA 1 51 SER H 2.800 . 2.800 2.982 2.955 3.000 0.200 16 0 "[ . 1 . 2 . ]" 1 552 1 50 HIS QB 1 51 SER H 2.800 . 3.800 3.623 3.609 3.644 . 0 0 "[ . 1 . 2 . ]" 1 553 1 51 SER H 1 51 SER HA 2.800 . 2.800 2.820 2.354 2.949 0.149 24 0 "[ . 1 . 2 . ]" 1 554 1 51 SER H 1 51 SER QB 2.800 . 3.800 2.635 2.076 3.454 . 0 0 "[ . 1 . 2 . ]" 1 555 1 51 SER QB 1 52 HIS H 3.500 . 4.500 2.919 1.850 3.990 . 0 0 "[ . 1 . 2 . ]" 1 556 1 52 HIS H 1 52 HIS HA 2.800 . 2.800 2.695 2.345 2.886 0.086 15 0 "[ . 1 . 2 . ]" 1 557 1 52 HIS H 1 52 HIS QB 2.800 . 3.800 3.078 2.149 3.454 . 0 0 "[ . 1 . 2 . ]" 1 558 1 52 HIS HA 1 53 ARG H 3.500 . 3.500 3.169 2.861 3.546 0.046 14 0 "[ . 1 . 2 . ]" 1 559 1 52 HIS HA 1 55 LEU H 3.500 . 3.500 3.264 2.872 3.514 0.014 17 0 "[ . 1 . 2 . ]" 1 560 1 53 ARG H 1 53 ARG HA 2.800 . 2.800 2.834 2.761 2.921 0.121 16 0 "[ . 1 . 2 . ]" 1 561 1 53 ARG H 1 53 ARG QB 2.800 . 3.800 2.247 2.057 2.670 . 0 0 "[ . 1 . 2 . ]" 1 562 1 53 ARG QB 1 54 GLY H 3.500 . 4.500 2.898 1.856 3.921 . 0 0 "[ . 1 . 2 . ]" 1 563 1 54 GLY QA 1 55 LEU H 3.500 . 4.500 2.775 2.514 2.940 . 0 0 "[ . 1 . 2 . ]" 1 564 1 55 LEU H 1 55 LEU HA 2.800 . 2.800 2.896 2.826 2.933 0.133 13 0 "[ . 1 . 2 . ]" 1 565 1 55 LEU H 1 55 LEU QB 2.800 . 3.800 2.199 2.060 2.687 . 0 0 "[ . 1 . 2 . ]" 1 566 1 55 LEU H 1 55 LEU QD 3.500 . 5.900 3.024 2.264 3.691 . 0 0 "[ . 1 . 2 . ]" 1 567 1 55 LEU HA 1 56 LEU H 2.800 . 2.800 2.897 2.822 2.961 0.161 22 0 "[ . 1 . 2 . ]" 1 568 1 55 LEU QB 1 56 LEU H 3.500 . 4.500 3.150 1.858 4.033 . 0 0 "[ . 1 . 2 . ]" 1 569 1 56 LEU H 1 56 LEU HA 2.800 . 2.800 2.881 2.740 2.954 0.154 8 0 "[ . 1 . 2 . ]" 1 570 1 56 LEU H 1 56 LEU HB2 2.800 . 2.800 2.374 2.269 2.510 . 0 0 "[ . 1 . 2 . ]" 1 571 1 56 LEU H 1 56 LEU HB3 3.500 . 3.500 3.614 3.558 3.694 0.194 8 0 "[ . 1 . 2 . ]" 1 572 1 56 LEU H 1 56 LEU HG 2.800 . 2.800 2.785 2.208 2.843 0.043 9 0 "[ . 1 . 2 . ]" 1 573 1 56 LEU H 1 56 LEU QD 3.500 . 5.900 3.292 2.864 3.444 . 0 0 "[ . 1 . 2 . ]" 1 574 1 56 LEU H 1 57 MET H 3.500 . 3.500 2.485 2.049 3.529 0.029 16 0 "[ . 1 . 2 . ]" 1 575 1 56 LEU HB3 1 57 MET H 3.500 . 3.500 3.331 2.151 3.537 0.037 23 0 "[ . 1 . 2 . ]" 1 576 1 56 LEU QD 1 57 MET H 3.500 . 5.900 3.989 3.373 4.238 . 0 0 "[ . 1 . 2 . ]" 1 577 1 57 MET H 1 57 MET HA 2.800 . 2.800 2.716 2.337 2.810 0.010 17 0 "[ . 1 . 2 . ]" 1 578 1 57 MET H 1 57 MET QB 2.800 . 3.800 2.370 2.092 3.218 . 0 0 "[ . 1 . 2 . ]" 1 579 1 57 MET H 1 57 MET QG 3.500 . 4.500 3.669 2.432 4.153 . 0 0 "[ . 1 . 2 . ]" 1 580 1 57 MET QB 1 58 MET H 2.800 . 3.800 2.432 1.831 2.814 . 0 0 "[ . 1 . 2 . ]" 1 581 1 58 MET H 1 58 MET HA 2.800 . 2.800 2.830 2.776 2.922 0.122 4 0 "[ . 1 . 2 . ]" 1 582 1 58 MET H 1 58 MET QB 2.800 . 3.800 2.320 2.059 2.771 . 0 0 "[ . 1 . 2 . ]" 1 583 1 58 MET H 1 58 MET QG 2.800 . 3.800 2.662 1.865 3.474 . 0 0 "[ . 1 . 2 . ]" 1 584 1 58 MET H 1 59 VAL H 2.800 . 2.800 2.780 2.413 2.830 0.030 25 0 "[ . 1 . 2 . ]" 1 585 1 58 MET QB 1 59 VAL H 3.500 . 4.500 2.943 2.220 3.736 . 0 0 "[ . 1 . 2 . ]" 1 586 1 59 VAL H 1 59 VAL HA 2.800 . 2.800 2.849 2.793 2.869 0.069 3 0 "[ . 1 . 2 . ]" 1 587 1 59 VAL H 1 59 VAL HB 2.800 . 2.800 2.528 2.198 2.790 . 0 0 "[ . 1 . 2 . ]" 1 588 1 59 VAL H 1 60 GLY H 2.800 . 2.800 2.679 2.577 2.838 0.038 16 0 "[ . 1 . 2 . ]" 1 589 1 59 VAL HA 1 60 GLY H 5.000 . 5.000 3.517 3.390 3.577 . 0 0 "[ . 1 . 2 . ]" 1 590 1 59 VAL HB 1 60 GLY H 3.500 . 3.500 2.852 2.393 3.573 0.073 16 0 "[ . 1 . 2 . ]" 1 591 1 59 VAL HA 1 62 ARG H 5.000 . 5.000 4.734 4.035 5.021 0.021 8 0 "[ . 1 . 2 . ]" 1 592 1 59 VAL HA 1 62 ARG HE 5.000 . 5.000 4.079 2.292 5.016 0.016 13 0 "[ . 1 . 2 . ]" 1 593 1 61 GLN H 1 61 GLN HA 2.800 . 2.800 2.929 2.903 2.958 0.158 24 0 "[ . 1 . 2 . ]" 1 594 1 61 GLN H 1 61 GLN QB 2.800 . 3.800 2.286 2.133 2.758 . 0 0 "[ . 1 . 2 . ]" 1 595 1 61 GLN H 1 61 GLN QG 3.500 . 4.500 3.673 3.433 3.995 . 0 0 "[ . 1 . 2 . ]" 1 596 1 61 GLN H 1 62 ARG H 2.800 . 2.800 2.466 1.849 2.690 . 0 0 "[ . 1 . 2 . ]" 1 597 1 61 GLN HA 1 62 ARG H 2.800 . 2.800 2.993 2.957 3.018 0.218 8 0 "[ . 1 . 2 . ]" 1 598 1 61 GLN QB 1 62 ARG H 2.800 . 3.800 3.615 3.596 3.645 . 0 0 "[ . 1 . 2 . ]" 1 599 1 62 ARG H 1 62 ARG QB 2.800 . 3.800 2.631 2.298 3.240 . 0 0 "[ . 1 . 2 . ]" 1 600 1 62 ARG H 1 63 ARG H 2.800 . 2.800 1.923 1.833 2.483 . 0 0 "[ . 1 . 2 . ]" 1 601 1 63 ARG H 1 63 ARG HA 2.800 . 2.800 2.854 2.799 2.882 0.082 8 0 "[ . 1 . 2 . ]" 1 602 1 63 ARG H 1 64 ARG H 2.800 . 2.800 2.673 2.506 2.813 0.013 19 0 "[ . 1 . 2 . ]" 1 603 1 64 ARG H 1 64 ARG HA 2.800 . 2.800 2.914 2.858 2.969 0.169 11 0 "[ . 1 . 2 . ]" 1 604 1 66 LEU H 1 66 LEU HA 2.800 . 2.800 2.834 2.784 2.939 0.139 25 0 "[ . 1 . 2 . ]" 1 605 1 66 LEU H 1 66 LEU QB 2.800 . 3.800 2.537 2.258 2.752 . 0 0 "[ . 1 . 2 . ]" 1 606 1 66 LEU H 1 66 LEU QD 2.800 . 5.200 2.711 1.902 3.768 . 0 0 "[ . 1 . 2 . ]" 1 607 1 66 LEU QB 1 67 ARG H 2.800 . 3.800 3.180 2.084 3.578 . 0 0 "[ . 1 . 2 . ]" 1 608 1 66 LEU H 1 77 TYR QE 3.500 . 5.500 4.459 4.077 4.808 . 0 0 "[ . 1 . 2 . ]" 1 609 1 66 LEU QD 1 77 TYR QD 5.000 . 9.400 4.103 3.013 5.245 . 0 0 "[ . 1 . 2 . ]" 1 610 1 66 LEU QD 1 77 TYR QE 5.000 . 9.400 3.002 2.043 4.112 . 0 0 "[ . 1 . 2 . ]" 1 611 1 67 ARG H 1 67 ARG HA 2.800 . 2.800 2.868 2.754 2.956 0.156 23 0 "[ . 1 . 2 . ]" 1 612 1 67 ARG H 1 68 TYR H 2.800 . 2.800 2.684 1.998 2.872 0.072 10 0 "[ . 1 . 2 . ]" 1 613 1 68 TYR H 1 68 TYR HA 2.800 . 2.800 2.848 2.338 2.965 0.165 1 0 "[ . 1 . 2 . ]" 1 614 1 68 TYR H 1 68 TYR QB 2.800 . 3.800 2.499 2.133 3.100 . 0 0 "[ . 1 . 2 . ]" 1 615 1 68 TYR H 1 68 TYR QD 3.500 . 5.500 4.016 3.294 4.517 . 0 0 "[ . 1 . 2 . ]" 1 616 1 68 TYR H 1 69 LEU H 2.800 . 2.800 2.736 2.301 2.835 0.035 3 0 "[ . 1 . 2 . ]" 1 617 1 68 TYR QB 1 69 LEU H 2.800 . 3.800 2.193 1.840 3.425 . 0 0 "[ . 1 . 2 . ]" 1 618 1 68 TYR QD 1 69 LEU H 5.000 . 7.000 3.895 3.214 4.619 . 0 0 "[ . 1 . 2 . ]" 1 619 1 68 TYR HA 1 71 ARG H 5.000 . 5.000 4.212 3.802 4.644 . 0 0 "[ . 1 . 2 . ]" 1 620 1 69 LEU H 1 69 LEU HA 2.800 . 2.800 2.889 2.844 2.936 0.136 21 0 "[ . 1 . 2 . ]" 1 621 1 69 LEU H 1 69 LEU QB 2.800 . 3.800 2.273 2.207 2.332 . 0 0 "[ . 1 . 2 . ]" 1 622 1 69 LEU H 1 69 LEU QD 3.500 . 5.900 3.667 3.465 3.776 . 0 0 "[ . 1 . 2 . ]" 1 623 1 69 LEU H 1 70 GLN H 5.000 . 5.000 2.717 2.220 3.140 . 0 0 "[ . 1 . 2 . ]" 1 624 1 69 LEU HA 1 73 ASP H 5.000 . 5.000 5.029 4.937 5.067 0.067 21 0 "[ . 1 . 2 . ]" 1 625 1 69 LEU QD 1 73 ASP H 5.000 . 7.400 4.601 3.269 5.427 . 0 0 "[ . 1 . 2 . ]" 1 626 1 69 LEU QD 1 76 ARG H 5.000 . 7.400 4.336 3.663 4.910 . 0 0 "[ . 1 . 2 . ]" 1 627 1 70 GLN H 1 70 GLN HA 2.800 . 2.800 2.786 2.765 2.829 0.029 7 0 "[ . 1 . 2 . ]" 1 628 1 70 GLN H 1 70 GLN QB 2.800 . 3.800 2.284 2.225 2.420 . 0 0 "[ . 1 . 2 . ]" 1 629 1 70 GLN H 1 71 ARG H 2.800 . 2.800 2.787 2.663 2.822 0.022 14 0 "[ . 1 . 2 . ]" 1 630 1 70 GLN QB 1 71 ARG H 3.500 . 4.500 3.073 2.615 3.588 . 0 0 "[ . 1 . 2 . ]" 1 631 1 70 GLN HA 1 73 ASP H 5.000 . 5.000 3.834 3.625 4.158 . 0 0 "[ . 1 . 2 . ]" 1 632 1 70 GLN H 1 77 TYR QE 5.000 . 7.000 5.135 4.254 5.499 . 0 0 "[ . 1 . 2 . ]" 1 633 1 71 ARG H 1 71 ARG HA 2.800 . 2.800 2.886 2.852 2.921 0.121 12 0 "[ . 1 . 2 . ]" 1 634 1 71 ARG H 1 71 ARG QB 2.800 . 3.800 2.230 2.067 2.536 . 0 0 "[ . 1 . 2 . ]" 1 635 1 71 ARG H 1 71 ARG QG 2.800 . 3.800 2.817 2.010 3.303 . 0 0 "[ . 1 . 2 . ]" 1 636 1 71 ARG H 1 71 ARG QD 3.500 . 4.500 4.010 3.419 4.110 . 0 0 "[ . 1 . 2 . ]" 1 637 1 71 ARG H 1 72 GLU H 2.800 . 2.800 2.589 2.432 2.743 . 0 0 "[ . 1 . 2 . ]" 1 638 1 71 ARG QD 1 72 GLU H 5.000 . 6.000 4.423 2.700 5.078 . 0 0 "[ . 1 . 2 . ]" 1 639 1 71 ARG H 1 73 ASP H 5.000 . 5.000 3.922 3.844 4.003 . 0 0 "[ . 1 . 2 . ]" 1 640 1 72 GLU H 1 72 GLU HA 2.800 . 2.800 2.923 2.912 2.936 0.136 7 0 "[ . 1 . 2 . ]" 1 641 1 72 GLU H 1 72 GLU QB 2.800 . 3.800 2.324 2.290 2.391 . 0 0 "[ . 1 . 2 . ]" 1 642 1 72 GLU H 1 72 GLU QG 2.800 . 3.800 2.648 2.517 2.769 . 0 0 "[ . 1 . 2 . ]" 1 643 1 72 GLU H 1 73 ASP H 2.800 . 2.800 2.656 2.532 2.706 . 0 0 "[ . 1 . 2 . ]" 1 644 1 72 GLU HA 1 73 ASP H 2.800 . 2.800 3.027 2.997 3.086 0.286 21 0 "[ . 1 . 2 . ]" 1 645 1 72 GLU QB 1 73 ASP H 2.800 . 3.800 3.564 3.508 3.592 . 0 0 "[ . 1 . 2 . ]" 1 646 1 73 ASP H 1 73 ASP HA 2.800 . 2.800 2.780 2.737 2.828 0.028 23 0 "[ . 1 . 2 . ]" 1 647 1 73 ASP H 1 73 ASP QB 3.500 . 4.500 3.114 2.971 3.512 . 0 0 "[ . 1 . 2 . ]" 1 648 1 73 ASP H 1 74 PRO QD 3.500 . 4.500 3.325 3.225 3.529 . 0 0 "[ . 1 . 2 . ]" 1 649 1 73 ASP HA 1 75 GLU H 3.500 . 3.500 3.539 3.526 3.563 0.063 25 0 "[ . 1 . 2 . ]" 1 650 1 73 ASP HA 1 76 ARG H 5.000 . 5.000 4.105 3.945 4.300 . 0 0 "[ . 1 . 2 . ]" 1 651 1 73 ASP QB 1 76 ARG H 5.000 . 6.000 2.168 1.873 2.633 . 0 0 "[ . 1 . 2 . ]" 1 652 1 74 PRO QB 1 75 GLU H 5.000 . 6.000 3.271 3.212 3.334 . 0 0 "[ . 1 . 2 . ]" 1 653 1 74 PRO QD 1 75 GLU H 3.500 . 4.500 2.298 2.266 2.338 . 0 0 "[ . 1 . 2 . ]" 1 654 1 74 PRO HA 1 77 TYR H 3.500 . 3.500 3.434 3.084 3.539 0.039 25 0 "[ . 1 . 2 . ]" 1 655 1 75 GLU H 1 75 GLU HA 2.800 . 2.800 2.906 2.884 2.923 0.123 25 0 "[ . 1 . 2 . ]" 1 656 1 75 GLU H 1 75 GLU QB 2.800 . 3.800 2.472 2.237 2.813 . 0 0 "[ . 1 . 2 . ]" 1 657 1 75 GLU H 1 75 GLU QG 3.500 . 4.500 2.825 1.860 4.071 . 0 0 "[ . 1 . 2 . ]" 1 658 1 75 GLU H 1 76 ARG H 2.800 . 2.800 2.445 2.326 2.681 . 0 0 "[ . 1 . 2 . ]" 1 659 1 75 GLU HA 1 76 ARG H 5.000 . 5.000 3.517 3.391 3.580 . 0 0 "[ . 1 . 2 . ]" 1 660 1 76 ARG H 1 76 ARG HA 2.800 . 2.800 2.865 2.804 2.933 0.133 5 0 "[ . 1 . 2 . ]" 1 661 1 76 ARG H 1 76 ARG QB 2.800 . 3.800 2.343 2.089 2.530 . 0 0 "[ . 1 . 2 . ]" 1 662 1 76 ARG H 1 76 ARG QG 2.800 . 3.800 2.490 1.947 3.306 . 0 0 "[ . 1 . 2 . ]" 1 663 1 76 ARG H 1 76 ARG QD 3.500 . 4.500 3.727 2.026 4.091 . 0 0 "[ . 1 . 2 . ]" 1 664 1 76 ARG HA 1 76 ARG HE 5.000 . 5.000 4.433 2.599 4.936 . 0 0 "[ . 1 . 2 . ]" 1 665 1 76 ARG H 1 77 TYR H 2.800 . 2.800 2.537 2.208 2.762 . 0 0 "[ . 1 . 2 . ]" 1 666 1 77 TYR H 1 77 TYR HA 2.800 . 2.800 2.916 2.846 2.926 0.126 20 0 "[ . 1 . 2 . ]" 1 667 1 77 TYR H 1 77 TYR QB 2.800 . 3.800 2.314 2.195 2.346 . 0 0 "[ . 1 . 2 . ]" 1 668 1 77 TYR H 1 77 TYR QD 3.500 . 5.500 4.197 3.984 4.225 . 0 0 "[ . 1 . 2 . ]" 1 669 1 77 TYR HA 1 77 TYR QE 5.000 . 7.000 4.231 4.053 4.345 . 0 0 "[ . 1 . 2 . ]" 1 670 1 77 TYR HA 1 78 ARG H 2.800 . 2.800 2.880 2.787 3.016 0.216 17 0 "[ . 1 . 2 . ]" 1 671 1 77 TYR QB 1 78 ARG H 3.500 . 4.500 3.811 2.535 3.953 . 0 0 "[ . 1 . 2 . ]" 1 672 1 77 TYR QD 1 78 ARG H 2.800 . 4.800 4.389 2.757 4.603 . 0 0 "[ . 1 . 2 . ]" 1 673 1 77 TYR QE 1 81 ILE MG 5.000 . 7.300 3.285 2.706 3.879 . 0 0 "[ . 1 . 2 . ]" 1 674 1 78 ARG H 1 78 ARG HA 2.800 . 2.800 2.908 2.353 2.952 0.152 19 0 "[ . 1 . 2 . ]" 1 675 1 78 ARG H 1 78 ARG QB 2.800 . 3.800 3.050 2.719 3.335 . 0 0 "[ . 1 . 2 . ]" 1 676 1 78 ARG H 1 78 ARG QG 2.800 . 3.800 2.477 2.040 3.175 . 0 0 "[ . 1 . 2 . ]" 1 677 1 78 ARG H 1 78 ARG QD 2.800 . 3.800 3.456 3.150 3.516 . 0 0 "[ . 1 . 2 . ]" 1 678 1 78 ARG H 1 79 ALA H 2.800 . 2.800 2.084 1.873 2.820 0.020 12 0 "[ . 1 . 2 . ]" 1 679 1 78 ARG HA 1 79 ALA H 3.500 . 3.500 3.050 2.958 3.185 . 0 0 "[ . 1 . 2 . ]" 1 680 1 79 ALA H 1 79 ALA HA 2.800 . 2.800 2.947 2.942 2.952 0.152 19 0 "[ . 1 . 2 . ]" 1 681 1 79 ALA H 1 79 ALA MB 2.800 . 3.100 2.518 2.449 2.608 . 0 0 "[ . 1 . 2 . ]" 1 682 1 79 ALA HA 1 81 ILE H 3.500 . 3.500 3.685 3.629 3.734 0.234 12 0 "[ . 1 . 2 . ]" 1 683 1 80 LEU H 1 80 LEU QB 2.800 . 3.800 2.376 2.084 2.790 . 0 0 "[ . 1 . 2 . ]" 1 684 1 80 LEU H 1 80 LEU QD 3.500 . 5.900 2.542 1.841 3.396 . 0 0 "[ . 1 . 2 . ]" 1 685 1 80 LEU HA 1 81 ILE H 3.500 . 3.500 3.325 3.238 3.373 . 0 0 "[ . 1 . 2 . ]" 1 686 1 80 LEU QB 1 81 ILE H 3.500 . 4.500 3.413 3.234 3.907 . 0 0 "[ . 1 . 2 . ]" 1 687 1 80 LEU QD 1 81 ILE H 5.000 . 7.400 4.049 3.437 4.463 . 0 0 "[ . 1 . 2 . ]" 1 688 1 80 LEU HA 1 83 LYS H 2.800 . 2.800 2.920 2.892 2.960 0.160 19 0 "[ . 1 . 2 . ]" 1 689 1 81 ILE H 1 81 ILE HA 2.800 . 2.800 2.903 2.875 2.921 0.121 22 0 "[ . 1 . 2 . ]" 1 690 1 81 ILE H 1 81 ILE HB 3.400 . 3.400 3.519 3.495 3.539 0.139 25 0 "[ . 1 . 2 . ]" 1 691 1 81 ILE H 1 81 ILE MG 3.500 . 3.800 1.796 1.760 1.828 . 0 0 "[ . 1 . 2 . ]" 1 692 1 81 ILE H 1 81 ILE QG 2.800 . 3.800 3.014 2.914 3.176 . 0 0 "[ . 1 . 2 . ]" 1 693 1 81 ILE H 1 82 GLU H 2.800 . 2.800 2.351 2.264 2.486 . 0 0 "[ . 1 . 2 . ]" 1 694 1 81 ILE HA 1 82 GLU H 3.500 . 3.500 3.488 3.440 3.508 0.008 6 0 "[ . 1 . 2 . ]" 1 695 1 81 ILE MG 1 82 GLU H 3.500 . 3.800 3.113 3.017 3.161 . 0 0 "[ . 1 . 2 . ]" 1 696 1 81 ILE QG 1 82 GLU H 2.800 . 3.800 2.177 2.029 2.460 . 0 0 "[ . 1 . 2 . ]" 1 697 1 81 ILE HA 1 86 ILE H 3.500 . 3.500 3.519 2.839 3.664 0.164 9 0 "[ . 1 . 2 . ]" 1 698 1 82 GLU H 1 82 GLU HA 2.800 . 2.800 2.932 2.914 2.940 0.140 20 0 "[ . 1 . 2 . ]" 1 699 1 82 GLU H 1 82 GLU QB 2.800 . 3.800 2.295 2.140 2.650 . 0 0 "[ . 1 . 2 . ]" 1 700 1 82 GLU HA 1 85 GLY H 5.000 . 5.000 4.982 4.160 5.077 0.077 13 0 "[ . 1 . 2 . ]" 1 701 1 83 LYS H 1 83 LYS HA 2.800 . 2.800 2.962 2.907 2.974 0.174 16 0 "[ . 1 . 2 . ]" 1 702 1 83 LYS H 1 83 LYS QB 2.800 . 3.800 2.572 2.243 2.814 . 0 0 "[ . 1 . 2 . ]" 1 703 1 83 LYS H 1 83 LYS QG 2.800 . 3.800 2.818 2.227 3.446 . 0 0 "[ . 1 . 2 . ]" 1 704 1 83 LYS H 1 84 LEU H 2.800 . 2.800 2.589 2.127 2.852 0.052 9 0 "[ . 1 . 2 . ]" 1 705 1 83 LYS HA 1 84 LEU H 3.500 . 3.500 3.052 2.698 3.552 0.052 6 0 "[ . 1 . 2 . ]" 1 706 1 84 LEU H 1 84 LEU HA 2.800 . 2.800 2.940 2.907 2.967 0.167 3 0 "[ . 1 . 2 . ]" 1 707 1 84 LEU H 1 84 LEU HG 2.800 . 2.800 2.862 2.495 2.932 0.132 1 0 "[ . 1 . 2 . ]" 1 708 1 84 LEU H 1 84 LEU QB 2.800 . 3.800 2.788 2.353 3.089 . 0 0 "[ . 1 . 2 . ]" 1 709 1 84 LEU H 1 84 LEU QD 3.500 . 5.900 3.442 2.834 3.519 . 0 0 "[ . 1 . 2 . ]" 1 710 1 84 LEU H 1 85 GLY H 5.000 . 5.000 2.442 1.818 2.766 . 0 0 "[ . 1 . 2 . ]" 1 711 1 84 LEU HA 1 85 GLY H 3.500 . 3.500 3.533 3.213 3.570 0.070 1 0 "[ . 1 . 2 . ]" 1 712 1 84 LEU QB 1 85 GLY H 3.500 . 4.500 2.251 1.812 3.927 . 0 0 "[ . 1 . 2 . ]" 1 713 1 84 LEU QD 1 85 GLY H 5.000 . 7.400 3.625 2.796 4.332 . 0 0 "[ . 1 . 2 . ]" 1 714 1 84 LEU H 1 86 ILE H 5.000 . 5.000 4.089 3.518 5.016 0.016 6 0 "[ . 1 . 2 . ]" 1 715 1 84 LEU QD 1 86 ILE H 5.000 . 7.400 4.637 2.553 5.358 . 0 0 "[ . 1 . 2 . ]" 1 716 1 85 GLY H 1 86 ILE H 2.800 . 2.800 2.212 2.004 2.819 0.019 22 0 "[ . 1 . 2 . ]" 1 717 1 85 GLY QA 1 86 ILE H 2.800 . 3.800 2.570 2.357 2.687 . 0 0 "[ . 1 . 2 . ]" 1 718 1 86 ILE H 1 86 ILE HA 2.800 . 2.800 2.900 2.892 2.907 0.107 4 0 "[ . 1 . 2 . ]" 1 719 1 86 ILE H 1 86 ILE HB 2.800 . 2.800 2.728 2.118 2.894 0.094 13 0 "[ . 1 . 2 . ]" 1 720 1 86 ILE H 1 86 ILE MG 2.800 . 3.100 1.819 1.673 2.563 . 0 0 "[ . 1 . 2 . ]" 1 721 1 86 ILE H 1 86 ILE MD 5.000 . 5.300 4.058 3.971 4.217 . 0 0 "[ . 1 . 2 . ]" 1 722 1 86 ILE H 1 86 ILE QG 2.800 . 3.800 3.794 3.721 3.899 0.099 2 0 "[ . 1 . 2 . ]" 1 723 1 86 ILE H 1 87 ARG H 3.500 . 3.500 3.122 2.371 3.648 0.148 2 0 "[ . 1 . 2 . ]" 1 724 1 86 ILE HA 1 87 ARG H 3.500 . 3.500 3.517 3.362 3.556 0.056 22 0 "[ . 1 . 2 . ]" 1 725 1 86 ILE QG 1 87 ARG H 5.000 . 6.000 2.061 1.720 4.443 . 0 0 "[ . 1 . 2 . ]" 1 726 1 86 ILE QG 1 88 GLY H 5.000 . 6.000 4.770 4.576 5.355 . 0 0 "[ . 1 . 2 . ]" 1 727 1 87 ARG H 1 87 ARG HA 2.800 . 2.800 2.904 2.802 2.929 0.129 5 0 "[ . 1 . 2 . ]" 1 728 1 87 ARG H 1 87 ARG HB3 3.500 . 3.500 3.618 3.572 3.719 0.219 8 0 "[ . 1 . 2 . ]" 1 729 1 87 ARG H 1 87 ARG HB2 3.500 . 3.500 2.454 2.368 2.660 . 0 0 "[ . 1 . 2 . ]" 1 730 1 87 ARG H 1 87 ARG QD 5.000 . 6.000 4.276 2.112 4.711 . 0 0 "[ . 1 . 2 . ]" 1 731 1 87 ARG H 1 88 GLY H 3.500 . 3.500 3.580 2.579 3.725 0.225 15 0 "[ . 1 . 2 . ]" 1 732 1 87 ARG HA 1 88 GLY H 2.800 . 2.800 3.193 3.153 3.329 0.529 22 3 "[ .- 1 . 2 + * ]" 1 733 1 87 ARG HB2 1 88 GLY H 2.800 . 2.800 2.234 2.098 2.935 0.135 25 0 "[ . 1 . 2 . ]" 1 734 1 62 ARG HA 1 65 LEU H 3.400 . 3.400 3.023 2.745 3.423 0.023 19 0 "[ . 1 . 2 . ]" 1 735 1 62 ARG HA 1 65 LEU QB 3.400 . 4.400 2.459 1.844 3.757 . 0 0 "[ . 1 . 2 . ]" 1 736 1 65 LEU HA 1 65 LEU QD 3.400 . 5.800 2.652 1.782 3.433 . 0 0 "[ . 1 . 2 . ]" 1 737 1 65 LEU HA 1 66 LEU H 3.400 . 3.400 3.320 2.758 3.531 0.131 8 0 "[ . 1 . 2 . ]" 1 738 1 65 LEU HA 1 68 TYR QB 3.400 . 4.400 3.463 2.727 3.872 . 0 0 "[ . 1 . 2 . ]" 1 739 1 65 LEU QD 1 68 TYR QB 5.000 . 8.400 3.171 1.842 4.865 . 0 0 "[ . 1 . 2 . ]" 1 740 1 65 LEU H 1 65 LEU HA 2.800 . 2.800 2.839 2.360 2.970 0.170 2 0 "[ . 1 . 2 . ]" 1 741 1 65 LEU H 1 65 LEU QB 2.800 . 3.800 2.348 2.076 3.002 . 0 0 "[ . 1 . 2 . ]" 1 742 1 65 LEU QB 1 66 LEU H 5.000 . 6.000 3.246 1.933 3.910 . 0 0 "[ . 1 . 2 . ]" 1 743 1 65 LEU QB 1 69 LEU H 5.000 . 6.000 4.976 4.184 5.414 . 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 76 _Distance_constraint_stats_list.Viol_count 1581 _Distance_constraint_stats_list.Viol_total 47783.930 _Distance_constraint_stats_list.Viol_max 4.873 _Distance_constraint_stats_list.Viol_rms 0.9575 _Distance_constraint_stats_list.Viol_average_all_restraints 0.9301 _Distance_constraint_stats_list.Viol_average_violations_only 1.1625 _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 4 LYS 47.776 1.516 2 24 [*+*******1****.*********-*] 1 5 GLU 74.693 2.652 7 26 [******+************-******] 1 6 GLU 104.467 2.926 20 26 [*-*****************+******] 1 7 LYS 56.072 3.172 21 10 "[** *. - 1* . * *2+ *.*]" 1 8 GLN 133.248 4.495 21 26 [********************+***-*] 1 9 LYS 110.435 2.652 7 26 [******+***********-*******] 1 10 VAL 105.524 2.926 20 26 [*-*****************+******] 1 11 ILE 56.072 3.172 21 10 "[** *. - 1* . * *2+ *.*]" 1 12 GLN 85.471 4.495 21 12 "[** *. * -* * * *2+ *.*]" 1 13 GLU 35.742 1.663 1 16 "[+* *.** *** *. * -*** *.*]" 1 14 PHE 1.057 0.294 12 0 "[ . 1 . 2 . ]" 1 24 THR 0.000 0.000 . 0 "[ . 1 . 2 . ]" 1 25 GLU 6.565 0.315 24 0 "[ . 1 . 2 . ]" 1 26 VAL 5.481 0.308 8 0 "[ . 1 . 2 . ]" 1 27 GLN 0.000 0.000 . 0 "[ . 1 . 2 . ]" 1 28 VAL 24.724 0.661 16 25 "[***************+* ****-***]" 1 29 ALA 29.265 0.598 18 3 "[ . * 1 - + 2 . ]" 1 30 LEU 15.561 0.490 19 0 "[ . 1 . 2 . ]" 1 31 LEU 23.411 0.770 7 23 "[-* ** +********** ********]" 1 32 THR 25.007 0.661 16 25 "[***************+* ****-***]" 1 33 LEU 23.154 0.598 18 3 "[ . * 1 - + 2 . ]" 1 34 ARG 35.224 1.175 8 25 "[*** *-*+******************]" 1 35 ILE 49.468 0.833 13 25 "[***** *-****+*************]" 1 36 ASN 54.640 2.246 13 26 [**********-*+*************] 1 37 ARG 69.084 2.473 24 26 [****************-******+**] 1 38 LEU 111.324 2.718 5 26 [****+-********************] 1 39 SER 101.957 4.141 5 26 [****+**-******************] 1 40 GLU 54.356 2.246 13 26 [**********-*+*************] 1 41 HIS 68.631 2.473 24 26 [****************-******+**] 1 42 LEU 86.180 2.718 5 26 [****+***********-*********] 1 43 LYS 75.900 4.141 5 26 [****+*****-***************] 1 55 LEU 75.768 2.796 8 22 "[*** .* +******** ***-*****]" 1 56 LEU 17.708 2.557 16 4 "[ . * 1 .+ 2 - * ]" 1 57 MET 32.432 2.361 7 17 "[ ***+* ** * .********-. ]" 1 58 MET 76.009 2.418 10 26 [*********+**********-*****] 1 59 VAL 133.021 2.796 8 26 [*******+******-***********] 1 60 GLY 121.196 4.469 21 26 [********************+-****] 1 61 GLN 32.432 2.361 7 17 "[ ***+* ** * .********-. ]" 1 62 ARG 76.009 2.418 10 26 [*********+**********-*****] 1 63 ARG 57.253 2.753 16 20 "[ * ********* *-+***** * * ]" 1 64 ARG 103.488 4.469 21 26 [********************+-****] 1 65 LEU 41.783 3.213 2 16 "[ +***** *1****-* 2* * * ]" 1 66 LEU 67.279 4.873 2 19 "[*+******-* * ********]" 1 69 LEU 41.783 3.213 2 16 "[ +***** *1****-* 2* * * ]" 1 70 GLN 67.279 4.873 2 19 "[*+******-* * ********]" 1 75 GLU 96.109 2.762 23 26 [*********************-+***] 1 76 ARG 68.403 1.808 2 26 [*+*********************-**] 1 77 TYR 145.749 3.440 22 26 [*****************-***+****] 1 78 ARG 125.583 2.814 12 26 [***********+************-*] 1 79 ALA 118.218 2.762 23 26 [************-*********+***] 1 80 LEU 94.621 1.808 2 26 [*+*******************-****] 1 81 ILE 192.456 3.440 22 26 [*********-***********+****] 1 82 GLU 125.583 2.814 12 26 [***********+************-*] 1 83 LYS 22.109 1.161 3 15 "[* +** ***1**-*. ** 2 * .*]" 1 84 LEU 26.218 1.274 4 23 "[** +* ***************-**.*]" 1 85 GLY 46.707 1.567 13 24 "[***** ***-**+***********.*]" stop_ loop_ _Distance_constraint_stats.Restraint_ID _Distance_constraint_stats.Atom_1_entity_assembly_ID _Distance_constraint_stats.Atom_1_comp_index_ID _Distance_constraint_stats.Atom_1_comp_ID _Distance_constraint_stats.Atom_1_ID _Distance_constraint_stats.Atom_2_entity_assembly_ID _Distance_constraint_stats.Atom_2_comp_index_ID _Distance_constraint_stats.Atom_2_comp_ID _Distance_constraint_stats.Atom_2_ID _Distance_constraint_stats.Node_1_distance_val _Distance_constraint_stats.Node_1_distance_lower_bound_val _Distance_constraint_stats.Node_1_distance_upper_bound_val _Distance_constraint_stats.Distance_average _Distance_constraint_stats.Distance_minimum _Distance_constraint_stats.Distance_maximum _Distance_constraint_stats.Max_violation _Distance_constraint_stats.Max_violation_model_number _Distance_constraint_stats.Over_cutoff_violation_count _Distance_constraint_stats.Over_cutoff_viol_per_model _Distance_constraint_stats.Distance_constraint_stats_ID 1 1 4 LYS O 1 8 GLN H 2.200 . 2.200 3.213 2.655 3.716 1.516 2 24 [*+*******1****.*********-*] 2 2 1 4 LYS O 1 8 GLN N 3.200 . 3.200 4.024 3.578 4.517 1.317 22 24 [*********1****.******+**-*] 2 3 1 5 GLU O 1 9 LYS H 2.200 . 2.200 3.697 2.874 4.852 2.652 7 26 [******+************-******] 2 4 1 5 GLU O 1 9 LYS N 3.200 . 3.200 4.576 3.745 5.663 2.463 7 26 [******+************-******] 2 5 1 6 GLU O 1 10 VAL H 2.200 . 2.200 4.341 3.912 5.126 2.926 20 26 [****************-**+******] 2 6 1 6 GLU O 1 10 VAL N 3.200 . 3.200 5.077 4.629 5.801 2.601 20 26 [*-*****************+******] 2 7 1 7 LYS O 1 11 ILE H 2.200 . 2.200 3.340 2.091 5.372 3.172 21 10 "[** *. - 1* . * *2+ *.*]" 2 8 1 7 LYS O 1 11 ILE N 3.200 . 3.200 4.171 3.037 6.057 2.857 21 10 "[** *. - 1* . * *2+ *.*]" 2 9 1 8 GLN O 1 12 GLN H 2.200 . 2.200 3.932 2.095 6.695 4.495 21 12 "[** *. * ** - * *2+ *.*]" 2 10 1 8 GLN O 1 12 GLN N 3.200 . 3.200 4.623 2.907 7.135 3.935 2 12 "[*+ *. * -* * * *2* *.*]" 2 11 1 9 LYS O 1 13 GLU H 2.200 . 2.200 2.995 2.418 3.863 1.663 1 16 "[+* *.** **- *. * **** *.*]" 2 12 1 9 LYS O 1 13 GLU N 3.200 . 3.200 3.780 3.222 4.595 1.395 1 15 "[+* *.** ** *. * -*** *.*]" 2 13 1 10 VAL O 1 14 PHE H 2.200 . 2.200 2.161 2.094 2.494 0.294 12 0 "[ . 1 . 2 . ]" 2 14 1 10 VAL O 1 14 PHE N 3.200 . 3.200 3.029 2.918 3.331 0.131 12 0 "[ . 1 . 2 . ]" 2 15 1 24 THR O 1 28 VAL H 2.200 . 2.200 2.087 2.073 2.101 . 0 0 "[ . 1 . 2 . ]" 2 16 1 24 THR O 1 28 VAL N 3.200 . 3.200 3.019 2.833 3.057 . 0 0 "[ . 1 . 2 . ]" 2 17 1 25 GLU O 1 29 ALA H 2.200 . 2.200 2.393 2.269 2.515 0.315 24 0 "[ . 1 . 2 . ]" 2 18 1 25 GLU O 1 29 ALA N 3.200 . 3.200 3.254 3.127 3.351 0.151 23 0 "[ . 1 . 2 . ]" 2 19 1 26 VAL O 1 30 LEU H 2.200 . 2.200 2.346 2.181 2.508 0.308 8 0 "[ . 1 . 2 . ]" 2 20 1 26 VAL O 1 30 LEU N 3.200 . 3.200 3.246 3.077 3.402 0.202 8 0 "[ . 1 . 2 . ]" 2 21 1 27 GLN O 1 31 LEU H 2.200 . 2.200 2.081 2.064 2.097 . 0 0 "[ . 1 . 2 . ]" 2 22 1 27 GLN O 1 31 LEU N 3.200 . 3.200 2.760 2.607 2.835 . 0 0 "[ . 1 . 2 . ]" 2 23 1 28 VAL O 1 32 THR H 2.200 . 2.200 2.800 2.656 2.861 0.661 16 25 "[***************+* ****-***]" 2 24 1 28 VAL O 1 32 THR N 3.200 . 3.200 3.550 3.435 3.608 0.408 17 0 "[ . 1 . 2 . ]" 2 25 1 29 ALA O 1 33 LEU H 2.200 . 2.200 2.668 2.573 2.798 0.598 18 3 "[ . * 1 - + 2 . ]" 2 26 1 29 ALA O 1 33 LEU N 3.200 . 3.200 3.605 3.530 3.745 0.545 18 2 "[ . - 1 . + 2 . ]" 2 27 1 30 LEU O 1 34 ARG H 2.200 . 2.200 2.407 2.118 2.690 0.490 19 0 "[ . 1 . 2 . ]" 2 28 1 30 LEU O 1 34 ARG N 3.200 . 3.200 3.364 3.093 3.650 0.450 19 0 "[ . 1 . 2 . ]" 2 29 1 31 LEU O 1 35 ILE H 2.200 . 2.200 2.834 2.692 2.970 0.770 7 23 "[-* ** +********** ********]" 2 30 1 31 LEU O 1 35 ILE N 3.200 . 3.200 3.466 3.343 3.606 0.406 4 0 "[ . 1 . 2 . ]" 2 31 1 32 THR O 1 36 ASN H 2.200 . 2.200 2.114 2.056 2.378 0.178 20 0 "[ . 1 . 2 . ]" 2 32 1 32 THR O 1 36 ASN N 3.200 . 3.200 3.052 2.994 3.305 0.105 20 0 "[ . 1 . 2 . ]" 2 33 1 33 LEU O 1 37 ARG H 2.200 . 2.200 2.139 2.082 2.378 0.178 19 0 "[ . 1 . 2 . ]" 2 34 1 33 LEU O 1 37 ARG N 3.200 . 3.200 3.104 3.050 3.338 0.138 19 0 "[ . 1 . 2 . ]" 2 35 1 34 ARG O 1 38 LEU H 2.200 . 2.200 3.080 2.646 3.375 1.175 8 25 "[*** *-*+******************]" 2 36 1 34 ARG O 1 38 LEU N 3.200 . 3.200 3.254 2.840 3.549 0.349 8 0 "[ . 1 . 2 . ]" 2 37 1 35 ILE O 1 39 SER H 2.200 . 2.200 2.795 2.561 3.033 0.833 13 22 "[*** * **** *+*******-** **]" 2 38 1 35 ILE O 1 39 SER N 3.200 . 3.200 3.608 3.417 3.791 0.591 15 3 "[ . - 1 * + 2 . ]" 2 39 1 36 ASN O 1 40 GLU H 2.200 . 2.200 3.351 2.937 4.446 2.246 13 26 [************+*-***********] 2 40 1 36 ASN O 1 40 GLU N 3.200 . 3.200 4.139 3.774 4.689 1.489 13 26 [**********-*+*************] 2 41 1 37 ARG O 1 41 HIS H 2.200 . 2.200 3.985 3.022 4.673 2.473 24 26 [****-******************+**] 2 42 1 37 ARG O 1 41 HIS N 3.200 . 3.200 4.052 3.144 4.762 1.562 24 22 "[****.* *********-*** * +**]" 2 43 1 38 LEU O 1 42 LEU H 2.200 . 2.200 3.969 3.130 4.918 2.718 5 26 [****+***********-*********] 2 44 1 38 LEU O 1 42 LEU N 3.200 . 3.200 4.746 4.004 5.717 2.517 5 26 [****+***********-*********] 2 45 1 39 SER O 1 43 LYS H 2.200 . 2.200 3.818 3.180 6.341 4.141 5 26 [****+*****-***************] 2 46 1 39 SER O 1 43 LYS N 3.200 . 3.200 4.501 3.837 7.075 3.875 5 26 [****+*****-***************] 2 47 1 55 LEU O 1 59 VAL H 2.200 . 2.200 3.696 2.462 4.996 2.796 8 22 "[*** .* +******** ***-*****]" 2 48 1 55 LEU O 1 59 VAL N 3.200 . 3.200 4.618 3.365 5.754 2.554 8 22 "[*** .* +******** ***-*****]" 2 49 1 56 LEU O 1 60 GLY H 2.200 . 2.200 2.535 2.093 4.757 2.557 16 4 "[ . * 1 .+ 2 - * ]" 2 50 1 56 LEU O 1 60 GLY N 3.200 . 3.200 3.378 2.768 5.503 2.303 16 4 "[ . * 1 .+ 2 - * ]" 2 51 1 57 MET O 1 61 GLN H 2.200 . 2.200 3.119 2.097 4.561 2.361 7 17 "[ ***+* ** - .*********. ]" 2 52 1 57 MET O 1 61 GLN N 3.200 . 3.200 3.392 2.557 4.346 1.146 7 8 "[ ** + * .* * 2* -. ]" 2 53 1 58 MET O 1 62 ARG H 2.200 . 2.200 4.075 2.981 4.618 2.418 10 26 [*********+**************-*] 2 54 1 58 MET O 1 62 ARG N 3.200 . 3.200 4.242 3.047 4.827 1.627 6 24 "[* ***+**************-***.*]" 2 55 1 59 VAL O 1 63 ARG H 2.200 . 2.200 3.394 2.276 4.953 2.753 16 20 "[ * ********* *-+***** * * ]" 2 56 1 59 VAL O 1 63 ARG N 3.200 . 3.200 4.208 3.195 5.667 2.467 16 17 "[ **-****** *.+***** * . ]" 2 57 1 60 GLY O 1 64 ARG H 2.200 . 2.200 4.310 3.040 6.669 4.469 21 26 [******************-*+*****] 2 58 1 60 GLY O 1 64 ARG N 3.200 . 3.200 5.071 3.709 7.400 4.200 21 26 [********************+-****] 2 59 1 65 LEU O 1 69 LEU H 2.200 . 2.200 3.124 2.167 5.413 3.213 2 16 "[ +***** *1****-* 2* * * ]" 2 60 1 65 LEU O 1 69 LEU N 3.200 . 3.200 3.860 2.927 5.849 2.649 2 11 "[ +- . * *1****. 2* * * ]" 2 61 1 66 LEU O 1 70 GLN H 2.200 . 2.200 3.736 2.094 7.073 4.873 2 19 "[*+******** * *-******]" 2 62 1 66 LEU O 1 70 GLN N 3.200 . 3.200 4.101 2.602 8.027 4.827 2 12 "[ +* .***-* . 2***** ]" 2 63 1 75 GLU O 1 79 ALA H 2.200 . 2.200 4.481 3.897 4.962 2.762 23 26 [**********************+-**] 2 64 1 75 GLU O 1 79 ALA N 3.200 . 3.200 4.616 4.147 5.117 1.917 19 26 [******************+**-****] 2 65 1 76 ARG O 1 80 LEU H 2.200 . 2.200 3.570 2.873 4.008 1.808 2 26 [*+*********************-**] 2 66 1 76 ARG O 1 80 LEU N 3.200 . 3.200 4.461 3.768 4.922 1.722 2 26 [*+*********************-**] 2 67 1 77 TYR O 1 81 ILE H 2.200 . 2.200 5.183 4.954 5.640 3.440 22 26 [****************-****+****] 2 68 1 77 TYR O 1 81 ILE N 3.200 . 3.200 5.823 5.575 6.242 3.042 22 26 [*****************-***+****] 2 69 1 78 ARG O 1 82 GLU H 2.200 . 2.200 4.686 4.259 5.014 2.814 12 26 [***********+************-*] 2 70 1 78 ARG O 1 82 GLU N 3.200 . 3.200 5.544 5.115 5.889 2.689 12 26 [***********+************-*] 2 71 1 79 ALA O 1 83 LYS H 2.200 . 2.200 2.782 2.136 3.361 1.161 3 15 "[* +-* ***1****. ** 2 * .*]" 2 72 1 79 ALA O 1 83 LYS N 3.200 . 3.200 3.443 2.995 4.029 0.829 3 4 "[ + . *1 *- . 2 . ]" 2 73 1 80 LEU O 1 84 LEU H 2.200 . 2.200 3.076 2.093 3.474 1.274 4 23 "[** +* ***************-**.*]" 2 74 1 80 LEU O 1 84 LEU N 3.200 . 3.200 3.248 2.592 3.528 0.328 4 0 "[ . 1 . 2 . ]" 2 75 1 81 ILE O 1 85 GLY H 2.200 . 2.200 3.227 2.257 3.767 1.567 13 24 "[***** ******+********-**.*]" 2 76 1 81 ILE O 1 85 GLY N 3.200 . 3.200 3.945 2.886 4.418 1.218 13 22 "[***** ***-**+******* **.*]" 2 stop_ save_
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