NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | program | type | subtype | subsubtype |
468601 | 1a5j | 4114 | cing | recoord | 4-filtered-FRED | Wattos | check | violation | distance |
data_1a5j 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 1319 _Distance_constraint_stats_list.Viol_count 5662 _Distance_constraint_stats_list.Viol_total 21466.826 _Distance_constraint_stats_list.Viol_max 0.498 _Distance_constraint_stats_list.Viol_rms 0.0527 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0159 _Distance_constraint_stats_list.Viol_average_violations_only 0.1185 _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 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3 ]" 1 2 ILE 0.406 0.106 6 0 "[ . 1 . 2 . 3 ]" 1 3 PRO 4.810 0.477 31 0 "[ . 1 . 2 . 3 ]" 1 4 ASP 8.227 0.477 31 0 "[ . 1 . 2 . 3 ]" 1 5 LEU 28.649 0.489 29 0 "[ . 1 . 2 . 3 ]" 1 6 VAL 20.614 0.489 29 0 "[ . 1 . 2 . 3 ]" 1 7 LYS 12.917 0.479 29 0 "[ . 1 . 2 . 3 ]" 1 8 GLY 10.963 0.479 29 0 "[ . 1 . 2 . 3 ]" 1 9 PRO 11.213 0.486 27 0 "[ . 1 . 2 . 3 ]" 1 10 TRP 33.652 0.498 16 0 "[ . 1 . 2 . 3 ]" 1 11 THR 2.034 0.174 26 0 "[ . 1 . 2 . 3 ]" 1 12 LYS 4.293 0.492 16 0 "[ . 1 . 2 . 3 ]" 1 13 GLU 28.395 0.452 27 0 "[ . 1 . 2 . 3 ]" 1 14 GLU 13.014 0.354 15 0 "[ . 1 . 2 . 3 ]" 1 15 ASP 13.438 0.492 16 0 "[ . 1 . 2 . 3 ]" 1 16 GLN 16.262 0.452 27 0 "[ . 1 . 2 . 3 ]" 1 17 LYS 6.518 0.375 28 0 "[ . 1 . 2 . 3 ]" 1 18 VAL 8.780 0.354 15 0 "[ . 1 . 2 . 3 ]" 1 19 ILE 17.307 0.449 14 0 "[ . 1 . 2 . 3 ]" 1 20 GLU 3.073 0.142 14 0 "[ . 1 . 2 . 3 ]" 1 21 LEU 3.289 0.142 14 0 "[ . 1 . 2 . 3 ]" 1 22 VAL 0.047 0.047 17 0 "[ . 1 . 2 . 3 ]" 1 23 LYS 2.401 0.106 14 0 "[ . 1 . 2 . 3 ]" 1 24 LYS 7.305 0.196 27 0 "[ . 1 . 2 . 3 ]" 1 25 TYR 6.475 0.206 30 0 "[ . 1 . 2 . 3 ]" 1 26 GLY 10.299 0.248 27 0 "[ . 1 . 2 . 3 ]" 1 27 THR 5.579 0.248 27 0 "[ . 1 . 2 . 3 ]" 1 28 LYS 1.611 0.227 8 0 "[ . 1 . 2 . 3 ]" 1 29 GLN 1.366 0.227 8 0 "[ . 1 . 2 . 3 ]" 1 30 TRP 6.922 0.265 24 0 "[ . 1 . 2 . 3 ]" 1 31 THR 7.128 0.262 30 0 "[ . 1 . 2 . 3 ]" 1 32 LEU 2.889 0.313 16 0 "[ . 1 . 2 . 3 ]" 1 33 ILE 5.311 0.338 10 0 "[ . 1 . 2 . 3 ]" 1 34 ALA 3.815 0.187 8 0 "[ . 1 . 2 . 3 ]" 1 35 LYS 7.238 0.257 3 0 "[ . 1 . 2 . 3 ]" 1 36 HIS 6.386 0.338 10 0 "[ . 1 . 2 . 3 ]" 1 37 LEU 9.901 0.454 26 0 "[ . 1 . 2 . 3 ]" 1 38 LYS 6.774 0.417 26 0 "[ . 1 . 2 . 3 ]" 1 39 GLY 4.309 0.201 30 0 "[ . 1 . 2 . 3 ]" 1 40 ARG 0.170 0.045 18 0 "[ . 1 . 2 . 3 ]" 1 41 LEU 6.203 0.295 32 0 "[ . 1 . 2 . 3 ]" 1 42 GLY 0.323 0.098 21 0 "[ . 1 . 2 . 3 ]" 1 43 LYS 0.347 0.236 32 0 "[ . 1 . 2 . 3 ]" 1 44 GLN 2.542 0.295 32 0 "[ . 1 . 2 . 3 ]" 1 45 CYS 0.180 0.078 4 0 "[ . 1 . 2 . 3 ]" 1 46 ARG 0.943 0.308 24 0 "[ . 1 . 2 . 3 ]" 1 47 GLU 1.191 0.308 24 0 "[ . 1 . 2 . 3 ]" 1 48 ARG 0.938 0.147 17 0 "[ . 1 . 2 . 3 ]" 1 49 TRP 14.813 0.449 14 0 "[ . 1 . 2 . 3 ]" 1 50 HIS 8.218 0.493 14 0 "[ . 1 . 2 . 3 ]" 1 51 ASN 22.124 0.493 14 0 "[ . 1 . 2 . 3 ]" 1 52 HIS 1.841 0.274 15 0 "[ . 1 . 2 . 3 ]" 1 53 LEU 0.908 0.214 3 0 "[ . 1 . 2 . 3 ]" 1 54 ASN 0.000 0.000 . 0 "[ . 1 . 2 . 3 ]" 1 55 PRO 1.032 0.186 28 0 "[ . 1 . 2 . 3 ]" 1 56 GLU 2.764 0.278 31 0 "[ . 1 . 2 . 3 ]" 1 57 VAL 12.671 0.328 27 0 "[ . 1 . 2 . 3 ]" 1 58 LYS 6.108 0.328 27 0 "[ . 1 . 2 . 3 ]" 1 59 LYS 3.400 0.150 21 0 "[ . 1 . 2 . 3 ]" 1 60 SER 2.413 0.199 31 0 "[ . 1 . 2 . 3 ]" 1 61 SER 7.061 0.318 27 0 "[ . 1 . 2 . 3 ]" 1 62 TRP 45.224 0.408 14 0 "[ . 1 . 2 . 3 ]" 1 63 THR 3.837 0.406 14 0 "[ . 1 . 2 . 3 ]" 1 64 GLU 11.097 0.406 14 0 "[ . 1 . 2 . 3 ]" 1 65 GLU 5.111 0.224 30 0 "[ . 1 . 2 . 3 ]" 1 66 GLU 2.046 0.114 18 0 "[ . 1 . 2 . 3 ]" 1 67 ASP 5.662 0.237 14 0 "[ . 1 . 2 . 3 ]" 1 68 ARG 6.412 0.143 15 0 "[ . 1 . 2 . 3 ]" 1 69 ILE 2.429 0.124 15 0 "[ . 1 . 2 . 3 ]" 1 70 ILE 4.521 0.264 2 0 "[ . 1 . 2 . 3 ]" 1 71 PHE 2.246 0.137 12 0 "[ . 1 . 2 . 3 ]" 1 72 GLU 3.337 0.137 12 0 "[ . 1 . 2 . 3 ]" 1 73 ALA 2.110 0.142 1 0 "[ . 1 . 2 . 3 ]" 1 74 HIS 15.043 0.206 18 0 "[ . 1 . 2 . 3 ]" 1 75 LYS 8.105 0.166 26 0 "[ . 1 . 2 . 3 ]" 1 76 VAL 19.008 0.364 27 0 "[ . 1 . 2 . 3 ]" 1 77 LEU 14.836 0.320 12 0 "[ . 1 . 2 . 3 ]" 1 78 GLY 13.038 0.364 27 0 "[ . 1 . 2 . 3 ]" 1 79 ASN 22.033 0.319 15 0 "[ . 1 . 2 . 3 ]" 1 80 ARG 15.258 0.492 32 0 "[ . 1 . 2 . 3 ]" 1 81 TRP 52.783 0.319 15 0 "[ . 1 . 2 . 3 ]" 1 82 ALA 6.829 0.159 18 0 "[ . 1 . 2 . 3 ]" 1 83 GLU 3.687 0.119 18 0 "[ . 1 . 2 . 3 ]" 1 84 ILE 5.433 0.206 18 0 "[ . 1 . 2 . 3 ]" 1 85 ALA 5.253 0.194 15 0 "[ . 1 . 2 . 3 ]" 1 86 LYS 6.292 0.234 19 0 "[ . 1 . 2 . 3 ]" 1 87 LEU 0.394 0.132 3 0 "[ . 1 . 2 . 3 ]" 1 88 LEU 0.865 0.136 26 0 "[ . 1 . 2 . 3 ]" 1 89 PRO 3.375 0.360 25 0 "[ . 1 . 2 . 3 ]" 1 90 GLY 4.019 0.360 25 0 "[ . 1 . 2 . 3 ]" 1 91 ARG 2.684 0.277 29 0 "[ . 1 . 2 . 3 ]" 1 92 THR 0.000 0.000 . 0 "[ . 1 . 2 . 3 ]" 1 93 ASP 1.415 0.116 6 0 "[ . 1 . 2 . 3 ]" 1 94 ASN 15.242 0.275 20 0 "[ . 1 . 2 . 3 ]" 1 95 ALA 8.898 0.275 20 0 "[ . 1 . 2 . 3 ]" 1 96 VAL 7.407 0.244 29 0 "[ . 1 . 2 . 3 ]" 1 97 LYS 7.792 0.258 23 0 "[ . 1 . 2 . 3 ]" 1 98 ASN 16.862 0.264 28 0 "[ . 1 . 2 . 3 ]" 1 99 HIS 17.729 0.244 28 0 "[ . 1 . 2 . 3 ]" 1 100 TRP 32.707 0.303 27 0 "[ . 1 . 2 . 3 ]" 1 101 ASN 42.160 0.332 27 0 "[ . 1 . 2 . 3 ]" 1 102 SER 30.262 0.332 27 0 "[ . 1 . 2 . 3 ]" 1 103 THR 32.942 0.340 4 0 "[ . 1 . 2 . 3 ]" 1 104 ILE 23.990 0.340 4 0 "[ . 1 . 2 . 3 ]" 1 105 LYS 13.740 0.361 4 0 "[ . 1 . 2 . 3 ]" 1 106 ARG 7.234 0.361 4 0 "[ . 1 . 2 . 3 ]" 1 107 LYS 16.827 0.464 16 0 "[ . 1 . 2 . 3 ]" 1 108 VAL 7.469 0.196 22 0 "[ . 1 . 2 . 3 ]" 1 109 ASP 1.599 0.078 31 0 "[ . 1 . 2 . 3 ]" 1 110 THR 0.085 0.028 25 0 "[ . 1 . 2 . 3 ]" 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 GLY QA 1 6 VAL MG2 . . 7.500 5.227 2.687 5.937 . 0 0 "[ . 1 . 2 . 3 ]" 1 2 1 2 ILE H 1 2 ILE HB . . 4.000 3.450 2.521 3.959 . 0 0 "[ . 1 . 2 . 3 ]" 1 3 1 2 ILE H 1 2 ILE HG12 . . 5.000 3.315 1.785 4.927 . 0 0 "[ . 1 . 2 . 3 ]" 1 4 1 2 ILE H 1 2 ILE HG13 . . 5.000 2.899 1.724 4.836 . 0 0 "[ . 1 . 2 . 3 ]" 1 5 1 2 ILE HA 1 2 ILE MG . . 3.300 2.325 1.908 3.195 . 0 0 "[ . 1 . 2 . 3 ]" 1 6 1 2 ILE HA 1 3 PRO HD2 . . 4.000 2.673 2.205 3.146 . 0 0 "[ . 1 . 2 . 3 ]" 1 7 1 2 ILE HA 1 3 PRO QD . . 3.340 2.072 1.839 2.562 . 0 0 "[ . 1 . 2 . 3 ]" 1 8 1 2 ILE HA 1 3 PRO HD3 . . 4.000 2.230 1.910 3.095 . 0 0 "[ . 1 . 2 . 3 ]" 1 9 1 2 ILE HB 1 3 PRO HD2 . . 5.000 3.048 1.630 5.106 0.106 6 0 "[ . 1 . 2 . 3 ]" 1 10 1 2 ILE HB 1 3 PRO HD3 . . 5.000 3.657 2.335 4.837 . 0 0 "[ . 1 . 2 . 3 ]" 1 11 1 2 ILE MD 1 7 LYS QD . . 7.500 5.136 3.025 5.601 . 0 0 "[ . 1 . 2 . 3 ]" 1 12 1 2 ILE MD 1 9 PRO QB . . 7.380 4.969 2.690 5.694 . 0 0 "[ . 1 . 2 . 3 ]" 1 13 1 2 ILE MG 1 3 PRO HD2 . . 5.500 3.110 1.781 4.663 . 0 0 "[ . 1 . 2 . 3 ]" 1 14 1 2 ILE MG 1 3 PRO QD . . 5.090 2.818 1.737 3.896 . 0 0 "[ . 1 . 2 . 3 ]" 1 15 1 2 ILE MG 1 3 PRO HD3 . . 5.500 3.306 1.967 4.441 . 0 0 "[ . 1 . 2 . 3 ]" 1 16 1 3 PRO HA 1 4 ASP H . . 2.800 2.903 2.374 3.277 0.477 31 0 "[ . 1 . 2 . 3 ]" 1 17 1 3 PRO QB 1 4 ASP H . . 4.000 2.618 1.737 4.057 0.057 29 0 "[ . 1 . 2 . 3 ]" 1 18 1 4 ASP H 1 4 ASP HA . . 2.800 2.785 2.209 2.917 0.117 2 0 "[ . 1 . 2 . 3 ]" 1 19 1 4 ASP H 1 4 ASP HB2 . . 2.800 2.440 2.168 3.053 0.253 5 0 "[ . 1 . 2 . 3 ]" 1 20 1 4 ASP H 1 4 ASP HB3 . . 2.800 2.762 2.483 3.243 0.443 9 0 "[ . 1 . 2 . 3 ]" 1 21 1 4 ASP HA 1 4 ASP HB2 . . 2.800 2.611 2.348 2.701 . 0 0 "[ . 1 . 2 . 3 ]" 1 22 1 4 ASP HA 1 5 LEU H . . 2.800 2.610 2.254 3.092 0.292 30 0 "[ . 1 . 2 . 3 ]" 1 23 1 4 ASP HB2 1 5 LEU H . . 5.000 4.082 3.401 4.729 . 0 0 "[ . 1 . 2 . 3 ]" 1 24 1 5 LEU H 1 5 LEU QB . . 3.800 3.300 2.228 3.507 . 0 0 "[ . 1 . 2 . 3 ]" 1 25 1 5 LEU H 1 5 LEU MD1 . . 5.500 3.678 2.453 4.195 . 0 0 "[ . 1 . 2 . 3 ]" 1 26 1 5 LEU H 1 5 LEU HG . . 2.800 2.783 2.372 3.127 0.327 27 0 "[ . 1 . 2 . 3 ]" 1 27 1 5 LEU HA 1 5 LEU MD1 . . 4.800 3.825 3.315 4.038 . 0 0 "[ . 1 . 2 . 3 ]" 1 28 1 5 LEU HA 1 5 LEU MD2 . . 4.300 3.025 2.498 3.345 . 0 0 "[ . 1 . 2 . 3 ]" 1 29 1 5 LEU HA 1 5 LEU HG . . 2.800 2.724 2.163 3.190 0.390 30 0 "[ . 1 . 2 . 3 ]" 1 30 1 5 LEU HA 1 6 VAL H . . 2.800 2.872 2.198 3.289 0.489 29 0 "[ . 1 . 2 . 3 ]" 1 31 1 5 LEU HA 1 9 PRO HA . . 5.000 4.933 1.997 5.427 0.427 16 0 "[ . 1 . 2 . 3 ]" 1 32 1 5 LEU HA 1 39 GLY QA . . 4.880 4.471 4.250 4.673 . 0 0 "[ . 1 . 2 . 3 ]" 1 33 1 5 LEU QB 1 6 VAL H . . 5.000 3.607 1.842 3.864 . 0 0 "[ . 1 . 2 . 3 ]" 1 34 1 5 LEU HG 1 6 VAL H . . 4.000 4.340 4.077 4.467 0.467 7 0 "[ . 1 . 2 . 3 ]" 1 35 1 6 VAL H 1 6 VAL HB . . 2.800 2.528 2.188 3.048 0.248 29 0 "[ . 1 . 2 . 3 ]" 1 36 1 6 VAL H 1 6 VAL MG1 . . 4.300 3.750 3.613 3.959 . 0 0 "[ . 1 . 2 . 3 ]" 1 37 1 6 VAL H 1 7 LYS H . . 4.000 3.092 1.785 4.342 0.342 31 0 "[ . 1 . 2 . 3 ]" 1 38 1 6 VAL HB 1 7 LYS H . . 4.000 2.595 1.914 4.470 0.470 18 0 "[ . 1 . 2 . 3 ]" 1 39 1 6 VAL MG1 1 8 GLY H . . 5.500 3.621 2.367 4.725 . 0 0 "[ . 1 . 2 . 3 ]" 1 40 1 6 VAL MG1 1 9 PRO QB . . 6.380 4.480 4.116 4.934 . 0 0 "[ . 1 . 2 . 3 ]" 1 41 1 6 VAL MG2 1 8 GLY H . . 5.500 4.779 3.688 4.980 . 0 0 "[ . 1 . 2 . 3 ]" 1 42 1 6 VAL MG2 1 9 PRO QB . . 6.380 4.182 2.380 4.592 . 0 0 "[ . 1 . 2 . 3 ]" 1 43 1 7 LYS H 1 7 LYS QD . . 4.300 2.685 1.835 3.902 . 0 0 "[ . 1 . 2 . 3 ]" 1 44 1 7 LYS H 1 8 GLY H . . 3.300 2.868 2.597 3.348 0.048 31 0 "[ . 1 . 2 . 3 ]" 1 45 1 7 LYS HA 1 7 LYS HB2 . . 2.800 2.835 2.393 3.027 0.227 8 0 "[ . 1 . 2 . 3 ]" 1 46 1 7 LYS HA 1 7 LYS HB3 . . 2.800 2.666 2.275 2.880 0.080 18 0 "[ . 1 . 2 . 3 ]" 1 47 1 7 LYS HA 1 7 LYS QD . . 4.300 2.831 1.980 3.869 . 0 0 "[ . 1 . 2 . 3 ]" 1 48 1 7 LYS HA 1 8 GLY H . . 2.800 3.039 2.805 3.279 0.479 29 0 "[ . 1 . 2 . 3 ]" 1 49 1 7 LYS QB 1 8 GLY H . . 4.180 3.876 3.641 4.130 . 0 0 "[ . 1 . 2 . 3 ]" 1 50 1 7 LYS HB2 1 7 LYS QE . . 4.300 3.174 2.317 3.921 . 0 0 "[ . 1 . 2 . 3 ]" 1 51 1 7 LYS HB3 1 7 LYS QE . . 4.300 3.332 2.160 3.897 . 0 0 "[ . 1 . 2 . 3 ]" 1 52 1 8 GLY H 1 8 GLY HA2 . . 2.800 2.567 2.267 2.814 0.014 23 0 "[ . 1 . 2 . 3 ]" 1 53 1 8 GLY H 1 8 GLY HA3 . . 2.800 2.896 2.797 2.961 0.161 4 0 "[ . 1 . 2 . 3 ]" 1 54 1 8 GLY H 1 9 PRO HD2 . . 5.000 3.212 2.492 3.570 . 0 0 "[ . 1 . 2 . 3 ]" 1 55 1 8 GLY H 1 9 PRO QD . . 4.440 1.883 1.587 2.206 . 0 0 "[ . 1 . 2 . 3 ]" 1 56 1 8 GLY H 1 9 PRO HD3 . . 5.000 1.897 1.595 2.227 . 0 0 "[ . 1 . 2 . 3 ]" 1 57 1 8 GLY HA2 1 9 PRO HD2 . . 4.000 2.406 2.259 2.690 . 0 0 "[ . 1 . 2 . 3 ]" 1 58 1 8 GLY HA2 1 9 PRO HD3 . . 4.000 2.692 2.453 3.045 . 0 0 "[ . 1 . 2 . 3 ]" 1 59 1 8 GLY HA3 1 9 PRO HD2 . . 4.000 3.949 3.843 4.049 0.049 27 0 "[ . 1 . 2 . 3 ]" 1 60 1 8 GLY HA3 1 9 PRO HD3 . . 4.000 3.814 3.742 3.828 . 0 0 "[ . 1 . 2 . 3 ]" 1 61 1 9 PRO HA 1 10 TRP H . . 2.800 2.295 2.148 2.841 0.041 26 0 "[ . 1 . 2 . 3 ]" 1 62 1 9 PRO HA 1 10 TRP HA . . 6.000 4.263 4.202 4.295 . 0 0 "[ . 1 . 2 . 3 ]" 1 63 1 9 PRO HA 1 10 TRP HD1 . . 2.800 3.003 2.846 3.286 0.486 27 0 "[ . 1 . 2 . 3 ]" 1 64 1 9 PRO HA 1 11 THR MG . . 5.500 4.571 3.377 4.866 . 0 0 "[ . 1 . 2 . 3 ]" 1 65 1 9 PRO QB 1 11 THR MG . . 7.380 3.488 2.321 4.632 . 0 0 "[ . 1 . 2 . 3 ]" 1 66 1 9 PRO HB2 1 10 TRP H . . 4.000 3.288 1.837 3.969 . 0 0 "[ . 1 . 2 . 3 ]" 1 67 1 9 PRO HB3 1 10 TRP H . . 4.000 3.777 3.074 4.211 0.211 18 0 "[ . 1 . 2 . 3 ]" 1 68 1 9 PRO QG 1 11 THR MG . . 7.500 3.987 2.117 5.149 . 0 0 "[ . 1 . 2 . 3 ]" 1 69 1 10 TRP H 1 10 TRP HB2 . . 2.800 2.438 2.301 2.527 . 0 0 "[ . 1 . 2 . 3 ]" 1 70 1 10 TRP H 1 10 TRP HB3 . . 3.300 3.577 3.535 3.690 0.390 18 0 "[ . 1 . 2 . 3 ]" 1 71 1 10 TRP H 1 10 TRP HD1 . . 3.300 2.179 1.838 3.058 . 0 0 "[ . 1 . 2 . 3 ]" 1 72 1 10 TRP HB2 1 10 TRP HE3 . . 3.300 3.506 3.192 3.798 0.498 16 0 "[ . 1 . 2 . 3 ]" 1 73 1 10 TRP HB3 1 10 TRP HE3 . . 3.300 2.402 2.333 2.589 . 0 0 "[ . 1 . 2 . 3 ]" 1 74 1 10 TRP HB3 1 10 TRP HZ3 . . 5.000 4.840 4.788 4.986 . 0 0 "[ . 1 . 2 . 3 ]" 1 75 1 10 TRP HE3 1 14 GLU HB2 . . 3.300 2.651 1.681 3.460 0.160 24 0 "[ . 1 . 2 . 3 ]" 1 76 1 10 TRP HE3 1 14 GLU HB3 . . 3.300 2.247 1.648 3.557 0.257 14 0 "[ . 1 . 2 . 3 ]" 1 77 1 10 TRP HE3 1 14 GLU HG2 . . 4.000 3.328 1.867 4.197 0.197 24 0 "[ . 1 . 2 . 3 ]" 1 78 1 10 TRP HE3 1 14 GLU HG3 . . 4.000 3.323 1.648 4.083 0.083 5 0 "[ . 1 . 2 . 3 ]" 1 79 1 10 TRP HE3 1 15 ASP HA . . 5.000 4.761 3.714 5.324 0.324 23 0 "[ . 1 . 2 . 3 ]" 1 80 1 10 TRP HE3 1 18 VAL MG2 . . 6.500 4.649 3.723 5.429 . 0 0 "[ . 1 . 2 . 3 ]" 1 81 1 10 TRP HE3 1 37 LEU MD2 . . 5.500 2.827 1.712 4.602 . 0 0 "[ . 1 . 2 . 3 ]" 1 82 1 10 TRP HZ3 1 14 GLU QG . . 4.880 3.996 3.301 4.585 . 0 0 "[ . 1 . 2 . 3 ]" 1 83 1 10 TRP HZ3 1 15 ASP HA . . 5.300 5.514 5.228 5.774 0.474 30 0 "[ . 1 . 2 . 3 ]" 1 84 1 10 TRP HZ3 1 18 VAL MG2 . . 5.800 3.800 2.766 4.583 . 0 0 "[ . 1 . 2 . 3 ]" 1 85 1 10 TRP HZ3 1 37 LEU MD2 . . 5.500 2.692 1.715 4.706 . 0 0 "[ . 1 . 2 . 3 ]" 1 86 1 11 THR HA 1 11 THR HB . . 2.800 2.412 2.336 2.502 . 0 0 "[ . 1 . 2 . 3 ]" 1 87 1 11 THR HA 1 12 LYS H . . 2.800 2.732 2.373 2.974 0.174 26 0 "[ . 1 . 2 . 3 ]" 1 88 1 11 THR HA 1 13 GLU H . . 5.000 4.522 4.002 5.097 0.097 22 0 "[ . 1 . 2 . 3 ]" 1 89 1 11 THR HB 1 12 LYS H . . 2.800 2.298 1.934 2.929 0.129 16 0 "[ . 1 . 2 . 3 ]" 1 90 1 11 THR HB 1 13 GLU H . . 4.000 3.709 3.140 4.169 0.169 28 0 "[ . 1 . 2 . 3 ]" 1 91 1 11 THR MG 1 12 LYS H . . 5.500 3.861 3.669 4.229 . 0 0 "[ . 1 . 2 . 3 ]" 1 92 1 12 LYS H 1 12 LYS HA . . 2.800 2.723 2.630 2.878 0.078 30 0 "[ . 1 . 2 . 3 ]" 1 93 1 12 LYS H 1 12 LYS HB2 . . 2.800 2.377 2.173 2.652 . 0 0 "[ . 1 . 2 . 3 ]" 1 94 1 12 LYS H 1 12 LYS HB3 . . 2.800 2.593 2.293 2.803 0.003 31 0 "[ . 1 . 2 . 3 ]" 1 95 1 12 LYS H 1 12 LYS QG . . 4.880 3.910 3.814 4.007 . 0 0 "[ . 1 . 2 . 3 ]" 1 96 1 12 LYS H 1 13 GLU H . . 3.300 2.861 2.319 3.171 . 0 0 "[ . 1 . 2 . 3 ]" 1 97 1 12 LYS HA 1 12 LYS QE . . 6.000 4.394 2.832 4.996 . 0 0 "[ . 1 . 2 . 3 ]" 1 98 1 12 LYS HA 1 12 LYS HG2 . . 4.000 2.840 2.249 3.852 . 0 0 "[ . 1 . 2 . 3 ]" 1 99 1 12 LYS HA 1 12 LYS HG3 . . 4.000 2.831 2.182 3.595 . 0 0 "[ . 1 . 2 . 3 ]" 1 100 1 12 LYS HA 1 15 ASP H . . 4.000 3.337 2.998 3.574 . 0 0 "[ . 1 . 2 . 3 ]" 1 101 1 12 LYS HA 1 15 ASP HB2 . . 4.000 2.350 1.987 2.843 . 0 0 "[ . 1 . 2 . 3 ]" 1 102 1 12 LYS HA 1 15 ASP HB3 . . 4.000 3.854 3.215 4.492 0.492 16 0 "[ . 1 . 2 . 3 ]" 1 103 1 12 LYS HB3 1 13 GLU H . . 3.300 2.793 2.278 3.358 0.058 27 0 "[ . 1 . 2 . 3 ]" 1 104 1 12 LYS QG 1 13 GLU H . . 4.880 3.991 3.601 4.316 . 0 0 "[ . 1 . 2 . 3 ]" 1 105 1 12 LYS O 1 16 GLN H . . 2.300 1.850 1.633 2.278 . 0 0 "[ . 1 . 2 . 3 ]" 1 106 1 12 LYS O 1 16 GLN N . . 3.300 2.643 2.405 3.117 . 0 0 "[ . 1 . 2 . 3 ]" 1 107 1 13 GLU H 1 13 GLU HA . . 2.800 2.709 2.651 2.796 . 0 0 "[ . 1 . 2 . 3 ]" 1 108 1 13 GLU H 1 13 GLU HB2 . . 2.800 2.254 2.073 2.885 0.085 21 0 "[ . 1 . 2 . 3 ]" 1 109 1 13 GLU H 1 13 GLU HB3 . . 2.800 2.817 2.145 3.022 0.222 24 0 "[ . 1 . 2 . 3 ]" 1 110 1 13 GLU H 1 13 GLU HG2 . . 4.000 4.101 4.077 4.171 0.171 16 0 "[ . 1 . 2 . 3 ]" 1 111 1 13 GLU H 1 13 GLU HG3 . . 4.000 4.148 4.063 4.378 0.378 16 0 "[ . 1 . 2 . 3 ]" 1 112 1 13 GLU H 1 14 GLU H . . 3.300 3.012 2.643 3.320 0.020 24 0 "[ . 1 . 2 . 3 ]" 1 113 1 13 GLU HA 1 13 GLU HG2 . . 4.000 2.435 2.022 3.790 . 0 0 "[ . 1 . 2 . 3 ]" 1 114 1 13 GLU HA 1 13 GLU HG3 . . 4.000 3.087 2.767 3.169 . 0 0 "[ . 1 . 2 . 3 ]" 1 115 1 13 GLU HA 1 16 GLN HB2 . . 4.000 4.234 4.062 4.452 0.452 27 0 "[ . 1 . 2 . 3 ]" 1 116 1 13 GLU HA 1 16 GLN HB3 . . 4.000 3.085 2.608 4.207 0.207 22 0 "[ . 1 . 2 . 3 ]" 1 117 1 13 GLU HA 1 16 GLN HG2 . . 5.000 2.244 1.772 2.789 . 0 0 "[ . 1 . 2 . 3 ]" 1 118 1 13 GLU HA 1 16 GLN HG3 . . 5.000 3.377 2.010 3.991 . 0 0 "[ . 1 . 2 . 3 ]" 1 119 1 13 GLU O 1 17 LYS H . . 2.300 2.358 1.762 2.675 0.375 28 0 "[ . 1 . 2 . 3 ]" 1 120 1 13 GLU O 1 17 LYS N . . 3.300 3.109 2.656 3.389 0.089 28 0 "[ . 1 . 2 . 3 ]" 1 121 1 14 GLU H 1 14 GLU HB2 . . 4.000 2.559 2.060 3.589 . 0 0 "[ . 1 . 2 . 3 ]" 1 122 1 14 GLU H 1 14 GLU HB3 . . 4.000 3.195 2.034 3.551 . 0 0 "[ . 1 . 2 . 3 ]" 1 123 1 14 GLU H 1 14 GLU HG2 . . 4.000 3.359 1.915 4.102 0.102 22 0 "[ . 1 . 2 . 3 ]" 1 124 1 14 GLU H 1 14 GLU QG . . 3.560 2.951 1.904 3.585 0.025 27 0 "[ . 1 . 2 . 3 ]" 1 125 1 14 GLU H 1 14 GLU HG3 . . 4.000 3.615 2.539 4.284 0.284 28 0 "[ . 1 . 2 . 3 ]" 1 126 1 14 GLU H 1 15 ASP H . . 3.300 2.769 2.307 2.845 . 0 0 "[ . 1 . 2 . 3 ]" 1 127 1 14 GLU HA 1 14 GLU HG2 . . 4.000 3.446 2.379 4.271 0.271 23 0 "[ . 1 . 2 . 3 ]" 1 128 1 14 GLU HA 1 14 GLU HG3 . . 4.000 3.035 2.153 4.179 0.179 16 0 "[ . 1 . 2 . 3 ]" 1 129 1 14 GLU HA 1 17 LYS HB2 . . 5.000 3.124 2.580 4.046 . 0 0 "[ . 1 . 2 . 3 ]" 1 130 1 14 GLU HA 1 17 LYS QB . . 4.440 2.853 2.546 3.168 . 0 0 "[ . 1 . 2 . 3 ]" 1 131 1 14 GLU HA 1 17 LYS HB3 . . 5.000 3.608 2.788 3.973 . 0 0 "[ . 1 . 2 . 3 ]" 1 132 1 14 GLU QB 1 15 ASP H . . 4.440 2.889 2.599 3.434 . 0 0 "[ . 1 . 2 . 3 ]" 1 133 1 14 GLU HB2 1 15 ASP H . . 5.000 3.164 2.718 4.203 . 0 0 "[ . 1 . 2 . 3 ]" 1 134 1 14 GLU HB3 1 15 ASP H . . 5.000 3.561 2.960 3.967 . 0 0 "[ . 1 . 2 . 3 ]" 1 135 1 14 GLU QG 1 15 ASP H . . 5.880 3.934 1.824 4.849 . 0 0 "[ . 1 . 2 . 3 ]" 1 136 1 14 GLU O 1 18 VAL H . . 2.300 2.402 1.655 2.654 0.354 15 0 "[ . 1 . 2 . 3 ]" 1 137 1 14 GLU O 1 18 VAL N . . 3.300 3.325 2.652 3.538 0.238 15 0 "[ . 1 . 2 . 3 ]" 1 138 1 15 ASP H 1 15 ASP HB2 . . 4.000 2.229 2.102 2.608 . 0 0 "[ . 1 . 2 . 3 ]" 1 139 1 15 ASP H 1 16 GLN H . . 3.300 2.620 2.161 2.929 . 0 0 "[ . 1 . 2 . 3 ]" 1 140 1 15 ASP HA 1 18 VAL HB . . 5.000 2.934 2.461 3.547 . 0 0 "[ . 1 . 2 . 3 ]" 1 141 1 15 ASP HA 1 18 VAL MG2 . . 6.500 3.574 3.019 4.371 . 0 0 "[ . 1 . 2 . 3 ]" 1 142 1 15 ASP HA 1 32 LEU QD . . 9.070 6.453 6.176 6.800 . 0 0 "[ . 1 . 2 . 3 ]" 1 143 1 15 ASP HB2 1 16 GLN H . . 3.300 2.745 2.247 3.251 . 0 0 "[ . 1 . 2 . 3 ]" 1 144 1 15 ASP O 1 19 ILE H . . 2.300 2.209 1.635 2.494 0.194 22 0 "[ . 1 . 2 . 3 ]" 1 145 1 15 ASP O 1 19 ILE N . . 3.300 3.114 2.522 3.414 0.114 22 0 "[ . 1 . 2 . 3 ]" 1 146 1 16 GLN H 1 16 GLN HA . . 2.800 2.749 2.617 2.875 0.075 2 0 "[ . 1 . 2 . 3 ]" 1 147 1 16 GLN H 1 16 GLN HB3 . . 2.800 2.305 2.154 2.736 . 0 0 "[ . 1 . 2 . 3 ]" 1 148 1 16 GLN H 1 16 GLN HG2 . . 3.300 3.041 2.177 3.409 0.109 29 0 "[ . 1 . 2 . 3 ]" 1 149 1 16 GLN H 1 16 GLN QG . . 2.930 2.579 1.813 2.872 . 0 0 "[ . 1 . 2 . 3 ]" 1 150 1 16 GLN H 1 16 GLN HG3 . . 3.300 2.919 1.849 3.478 0.178 27 0 "[ . 1 . 2 . 3 ]" 1 151 1 16 GLN H 1 17 LYS H . . 2.800 2.670 2.246 2.981 0.181 23 0 "[ . 1 . 2 . 3 ]" 1 152 1 16 GLN H 1 19 ILE MD . . 6.500 4.813 4.319 5.397 . 0 0 "[ . 1 . 2 . 3 ]" 1 153 1 16 GLN HA 1 16 GLN HG2 . . 4.000 4.111 3.782 4.239 0.239 29 0 "[ . 1 . 2 . 3 ]" 1 154 1 16 GLN HA 1 16 GLN HG3 . . 4.000 3.548 3.473 3.704 . 0 0 "[ . 1 . 2 . 3 ]" 1 155 1 16 GLN HA 1 19 ILE H . . 6.000 3.538 3.224 3.812 . 0 0 "[ . 1 . 2 . 3 ]" 1 156 1 16 GLN HA 1 19 ILE HB . . 3.300 2.623 2.138 3.109 . 0 0 "[ . 1 . 2 . 3 ]" 1 157 1 16 GLN HA 1 19 ILE MD . . 4.800 3.785 3.236 4.121 . 0 0 "[ . 1 . 2 . 3 ]" 1 158 1 16 GLN HA 1 19 ILE MG . . 5.500 3.704 2.898 4.293 . 0 0 "[ . 1 . 2 . 3 ]" 1 159 1 16 GLN HB3 1 17 LYS H . . 5.000 3.952 3.766 4.345 . 0 0 "[ . 1 . 2 . 3 ]" 1 160 1 16 GLN O 1 20 GLU H . . 2.300 2.203 1.826 2.398 0.098 21 0 "[ . 1 . 2 . 3 ]" 1 161 1 16 GLN O 1 20 GLU N . . 3.300 3.085 2.695 3.332 0.032 26 0 "[ . 1 . 2 . 3 ]" 1 162 1 17 LYS H 1 17 LYS HB2 . . 4.000 2.270 2.057 2.590 . 0 0 "[ . 1 . 2 . 3 ]" 1 163 1 17 LYS H 1 17 LYS HB3 . . 4.000 2.789 2.395 3.425 . 0 0 "[ . 1 . 2 . 3 ]" 1 164 1 17 LYS H 1 17 LYS QD . . 5.000 4.361 3.732 4.519 . 0 0 "[ . 1 . 2 . 3 ]" 1 165 1 17 LYS H 1 18 VAL H . . 3.300 2.670 2.347 3.107 . 0 0 "[ . 1 . 2 . 3 ]" 1 166 1 17 LYS H 1 18 VAL HB . . 6.000 4.411 4.143 4.775 . 0 0 "[ . 1 . 2 . 3 ]" 1 167 1 17 LYS H 1 19 ILE MD . . 7.500 4.773 4.094 5.441 . 0 0 "[ . 1 . 2 . 3 ]" 1 168 1 17 LYS HA 1 17 LYS QD . . 5.000 3.902 3.252 4.112 . 0 0 "[ . 1 . 2 . 3 ]" 1 169 1 17 LYS HA 1 18 VAL MG1 . . 7.500 6.032 5.954 6.131 . 0 0 "[ . 1 . 2 . 3 ]" 1 170 1 17 LYS HA 1 20 GLU H . . 4.000 3.368 2.966 4.104 0.104 27 0 "[ . 1 . 2 . 3 ]" 1 171 1 17 LYS HA 1 20 GLU QB . . 5.880 2.777 2.187 4.139 . 0 0 "[ . 1 . 2 . 3 ]" 1 172 1 17 LYS HA 1 20 GLU QG . . 5.880 4.476 2.582 5.267 . 0 0 "[ . 1 . 2 . 3 ]" 1 173 1 17 LYS HA 1 37 LEU MD2 . . 7.500 5.735 5.270 6.124 . 0 0 "[ . 1 . 2 . 3 ]" 1 174 1 17 LYS QB 1 18 VAL H . . 4.880 2.451 2.032 2.743 . 0 0 "[ . 1 . 2 . 3 ]" 1 175 1 17 LYS QB 1 21 LEU QD . . 8.020 2.954 1.797 3.732 . 0 0 "[ . 1 . 2 . 3 ]" 1 176 1 17 LYS QB 1 37 LEU MD1 . . 5.960 4.105 3.199 4.505 . 0 0 "[ . 1 . 2 . 3 ]" 1 177 1 17 LYS HB2 1 21 LEU MD1 . . 9.640 4.217 3.222 5.064 . 0 0 "[ . 1 . 2 . 3 ]" 1 178 1 17 LYS HB2 1 21 LEU MD2 . . 9.640 6.478 5.425 7.466 . 0 0 "[ . 1 . 2 . 3 ]" 1 179 1 17 LYS HB2 1 37 LEU MD1 . . 6.500 5.165 3.961 5.409 . 0 0 "[ . 1 . 2 . 3 ]" 1 180 1 17 LYS HB2 1 37 LEU MD2 . . 6.500 4.223 2.970 4.956 . 0 0 "[ . 1 . 2 . 3 ]" 1 181 1 17 LYS HB3 1 21 LEU MD1 . . 9.640 3.050 1.809 3.904 . 0 0 "[ . 1 . 2 . 3 ]" 1 182 1 17 LYS HB3 1 21 LEU MD2 . . 9.640 5.558 4.112 6.438 . 0 0 "[ . 1 . 2 . 3 ]" 1 183 1 17 LYS HB3 1 37 LEU MD1 . . 6.500 4.336 3.378 5.082 . 0 0 "[ . 1 . 2 . 3 ]" 1 184 1 17 LYS HB3 1 37 LEU MD2 . . 6.500 3.393 2.897 3.914 . 0 0 "[ . 1 . 2 . 3 ]" 1 185 1 17 LYS QD 1 21 LEU QD . . 8.070 2.374 1.747 3.553 . 0 0 "[ . 1 . 2 . 3 ]" 1 186 1 17 LYS QD 1 36 HIS HE1 . . 6.500 4.546 3.195 5.748 . 0 0 "[ . 1 . 2 . 3 ]" 1 187 1 17 LYS QD 1 37 LEU MD1 . . 7.500 5.056 3.173 5.559 . 0 0 "[ . 1 . 2 . 3 ]" 1 188 1 17 LYS QD 1 37 LEU MD2 . . 6.500 3.586 2.483 4.403 . 0 0 "[ . 1 . 2 . 3 ]" 1 189 1 17 LYS QE 1 37 LEU MD2 . . 7.500 4.972 2.219 5.615 . 0 0 "[ . 1 . 2 . 3 ]" 1 190 1 17 LYS QG 1 21 LEU QD . . 7.540 2.414 1.753 3.331 . 0 0 "[ . 1 . 2 . 3 ]" 1 191 1 17 LYS QG 1 36 HIS HE1 . . 6.380 5.292 3.849 5.686 . 0 0 "[ . 1 . 2 . 3 ]" 1 192 1 17 LYS QG 1 37 LEU MD2 . . 7.380 4.742 3.247 5.471 . 0 0 "[ . 1 . 2 . 3 ]" 1 193 1 17 LYS HG2 1 21 LEU MD1 . . 9.640 2.487 1.872 3.486 . 0 0 "[ . 1 . 2 . 3 ]" 1 194 1 17 LYS HG2 1 21 LEU MD2 . . 9.640 4.283 3.196 5.260 . 0 0 "[ . 1 . 2 . 3 ]" 1 195 1 17 LYS HG3 1 21 LEU MD1 . . 9.640 3.727 2.128 4.763 . 0 0 "[ . 1 . 2 . 3 ]" 1 196 1 17 LYS HG3 1 21 LEU MD2 . . 9.640 5.385 3.966 6.648 . 0 0 "[ . 1 . 2 . 3 ]" 1 197 1 17 LYS O 1 21 LEU H . . 2.300 1.939 1.583 2.344 0.044 24 0 "[ . 1 . 2 . 3 ]" 1 198 1 17 LYS O 1 21 LEU N . . 3.300 2.697 2.466 3.028 . 0 0 "[ . 1 . 2 . 3 ]" 1 199 1 18 VAL H 1 18 VAL HB . . 3.300 2.178 2.078 2.382 . 0 0 "[ . 1 . 2 . 3 ]" 1 200 1 18 VAL H 1 18 VAL MG2 . . 4.800 2.511 2.117 2.782 . 0 0 "[ . 1 . 2 . 3 ]" 1 201 1 18 VAL H 1 19 ILE H . . 4.000 2.811 2.577 3.010 . 0 0 "[ . 1 . 2 . 3 ]" 1 202 1 18 VAL HA 1 21 LEU HB2 . . 4.000 2.231 1.985 2.530 . 0 0 "[ . 1 . 2 . 3 ]" 1 203 1 18 VAL HA 1 21 LEU QD . . 7.070 2.185 1.884 2.764 . 0 0 "[ . 1 . 2 . 3 ]" 1 204 1 18 VAL HA 1 21 LEU HG . . 5.000 4.151 3.379 4.589 . 0 0 "[ . 1 . 2 . 3 ]" 1 205 1 18 VAL HA 1 33 ILE MG . . 5.500 4.659 4.501 4.791 . 0 0 "[ . 1 . 2 . 3 ]" 1 206 1 18 VAL HB 1 19 ILE MD . . 5.500 2.729 2.371 3.228 . 0 0 "[ . 1 . 2 . 3 ]" 1 207 1 18 VAL MG1 1 19 ILE HA . . 6.500 3.242 2.913 3.658 . 0 0 "[ . 1 . 2 . 3 ]" 1 208 1 18 VAL MG1 1 19 ILE MD . . 6.300 2.049 1.773 2.437 . 0 0 "[ . 1 . 2 . 3 ]" 1 209 1 18 VAL MG1 1 22 VAL MG2 . . 6.300 2.169 1.880 2.792 . 0 0 "[ . 1 . 2 . 3 ]" 1 210 1 18 VAL MG1 1 32 LEU QB . . 7.500 5.544 5.363 5.691 . 0 0 "[ . 1 . 2 . 3 ]" 1 211 1 18 VAL MG1 1 33 ILE MD . . 9.000 2.866 1.623 3.161 . 0 0 "[ . 1 . 2 . 3 ]" 1 212 1 18 VAL MG2 1 19 ILE MD . . 7.000 3.937 3.734 4.208 . 0 0 "[ . 1 . 2 . 3 ]" 1 213 1 18 VAL MG2 1 36 HIS HD2 . . 6.000 4.792 4.165 5.024 . 0 0 "[ . 1 . 2 . 3 ]" 1 214 1 18 VAL O 1 22 VAL H . . 2.300 1.878 1.673 2.184 . 0 0 "[ . 1 . 2 . 3 ]" 1 215 1 18 VAL O 1 22 VAL N . . 3.300 2.820 2.651 3.163 . 0 0 "[ . 1 . 2 . 3 ]" 1 216 1 19 ILE H 1 19 ILE MD . . 5.500 1.965 1.807 2.317 . 0 0 "[ . 1 . 2 . 3 ]" 1 217 1 19 ILE H 1 19 ILE QG . . 4.880 3.254 2.201 3.547 . 0 0 "[ . 1 . 2 . 3 ]" 1 218 1 19 ILE HA 1 19 ILE HG12 . . 4.000 3.602 3.431 3.666 . 0 0 "[ . 1 . 2 . 3 ]" 1 219 1 19 ILE HA 1 19 ILE HG13 . . 4.000 2.762 2.574 3.552 . 0 0 "[ . 1 . 2 . 3 ]" 1 220 1 19 ILE HA 1 22 VAL HB . . 5.000 3.104 2.488 3.607 . 0 0 "[ . 1 . 2 . 3 ]" 1 221 1 19 ILE HA 1 22 VAL MG2 . . 7.500 3.368 2.242 4.370 . 0 0 "[ . 1 . 2 . 3 ]" 1 222 1 19 ILE HA 1 49 TRP HH2 . . 2.800 1.821 1.497 1.975 . 0 0 "[ . 1 . 2 . 3 ]" 1 223 1 19 ILE HA 1 49 TRP HZ2 . . 3.300 3.545 3.421 3.749 0.449 14 0 "[ . 1 . 2 . 3 ]" 1 224 1 19 ILE HA 1 49 TRP HZ3 . . 2.800 3.010 2.880 3.194 0.394 32 0 "[ . 1 . 2 . 3 ]" 1 225 1 19 ILE HB 1 20 GLU H . . 3.300 2.738 2.217 3.130 . 0 0 "[ . 1 . 2 . 3 ]" 1 226 1 19 ILE MD 1 32 LEU QD . . 7.870 4.819 4.614 4.951 . 0 0 "[ . 1 . 2 . 3 ]" 1 227 1 19 ILE MG 1 20 GLU HA . . 5.500 3.166 2.819 3.707 . 0 0 "[ . 1 . 2 . 3 ]" 1 228 1 19 ILE MG 1 23 LYS QD . . 7.500 4.169 1.824 5.504 . 0 0 "[ . 1 . 2 . 3 ]" 1 229 1 19 ILE MG 1 23 LYS QG . . 6.380 3.026 2.145 4.533 . 0 0 "[ . 1 . 2 . 3 ]" 1 230 1 19 ILE O 1 23 LYS H . . 2.300 2.219 1.726 2.380 0.080 25 0 "[ . 1 . 2 . 3 ]" 1 231 1 19 ILE O 1 23 LYS N . . 3.300 3.018 2.684 3.359 0.059 30 0 "[ . 1 . 2 . 3 ]" 1 232 1 20 GLU H 1 20 GLU HG2 . . 5.000 3.953 2.044 4.579 . 0 0 "[ . 1 . 2 . 3 ]" 1 233 1 20 GLU H 1 20 GLU QG . . 4.440 3.421 2.024 3.976 . 0 0 "[ . 1 . 2 . 3 ]" 1 234 1 20 GLU H 1 20 GLU HG3 . . 5.000 3.865 2.379 4.580 . 0 0 "[ . 1 . 2 . 3 ]" 1 235 1 20 GLU H 1 21 LEU H . . 4.000 2.605 2.329 3.004 . 0 0 "[ . 1 . 2 . 3 ]" 1 236 1 20 GLU H 1 21 LEU HG . . 5.000 4.961 4.438 5.142 0.142 14 0 "[ . 1 . 2 . 3 ]" 1 237 1 20 GLU HA 1 20 GLU HG2 . . 4.000 2.540 2.000 3.676 . 0 0 "[ . 1 . 2 . 3 ]" 1 238 1 20 GLU HA 1 20 GLU HG3 . . 4.000 2.952 2.022 3.763 . 0 0 "[ . 1 . 2 . 3 ]" 1 239 1 20 GLU HA 1 23 LYS H . . 4.000 3.519 3.167 3.851 . 0 0 "[ . 1 . 2 . 3 ]" 1 240 1 20 GLU O 1 24 LYS H . . 2.300 2.309 2.138 2.375 0.075 1 0 "[ . 1 . 2 . 3 ]" 1 241 1 20 GLU O 1 24 LYS N . . 3.300 3.150 2.782 3.328 0.028 31 0 "[ . 1 . 2 . 3 ]" 1 242 1 21 LEU H 1 21 LEU HB2 . . 3.300 2.183 2.113 2.438 . 0 0 "[ . 1 . 2 . 3 ]" 1 243 1 21 LEU H 1 21 LEU HB3 . . 4.000 3.456 3.408 3.545 . 0 0 "[ . 1 . 2 . 3 ]" 1 244 1 21 LEU H 1 21 LEU HG . . 3.300 3.053 2.199 3.368 0.068 22 0 "[ . 1 . 2 . 3 ]" 1 245 1 21 LEU HA 1 21 LEU HG . . 4.000 2.496 2.289 2.885 . 0 0 "[ . 1 . 2 . 3 ]" 1 246 1 21 LEU HA 1 24 LYS H . . 4.000 3.237 2.793 3.451 . 0 0 "[ . 1 . 2 . 3 ]" 1 247 1 21 LEU HA 1 24 LYS HB2 . . 4.000 3.632 2.452 4.033 0.033 31 0 "[ . 1 . 2 . 3 ]" 1 248 1 21 LEU HA 1 24 LYS HB3 . . 4.000 3.195 2.374 3.667 . 0 0 "[ . 1 . 2 . 3 ]" 1 249 1 21 LEU HA 1 25 TYR HD1 . . 4.000 3.688 3.238 4.028 0.028 30 0 "[ . 1 . 2 . 3 ]" 1 250 1 21 LEU HA 1 25 TYR HE1 . . 4.000 4.051 3.980 4.127 0.127 30 0 "[ . 1 . 2 . 3 ]" 1 251 1 21 LEU HB3 1 33 ILE MD . . 5.500 4.373 3.681 4.572 . 0 0 "[ . 1 . 2 . 3 ]" 1 252 1 21 LEU QD 1 25 TYR HD1 . . 5.870 3.608 3.105 3.849 . 0 0 "[ . 1 . 2 . 3 ]" 1 253 1 21 LEU QD 1 25 TYR HE1 . . 5.870 2.494 1.934 2.875 . 0 0 "[ . 1 . 2 . 3 ]" 1 254 1 21 LEU QD 1 36 HIS HA . . 8.070 4.711 4.093 5.015 . 0 0 "[ . 1 . 2 . 3 ]" 1 255 1 21 LEU QD 1 36 HIS HD2 . . 5.440 3.757 3.268 4.099 . 0 0 "[ . 1 . 2 . 3 ]" 1 256 1 21 LEU QD 1 36 HIS HE1 . . 6.890 1.979 1.738 2.442 . 0 0 "[ . 1 . 2 . 3 ]" 1 257 1 21 LEU MD1 1 36 HIS HD2 . . 6.000 3.985 3.413 4.451 . 0 0 "[ . 1 . 2 . 3 ]" 1 258 1 21 LEU MD1 1 36 HIS HE1 . . 8.000 2.608 1.942 3.149 . 0 0 "[ . 1 . 2 . 3 ]" 1 259 1 21 LEU MD2 1 36 HIS HD2 . . 6.000 4.692 3.837 4.900 . 0 0 "[ . 1 . 2 . 3 ]" 1 260 1 21 LEU MD2 1 36 HIS HE1 . . 8.000 2.151 1.791 2.969 . 0 0 "[ . 1 . 2 . 3 ]" 1 261 1 21 LEU O 1 25 TYR H . . 2.300 1.773 1.641 2.094 . 0 0 "[ . 1 . 2 . 3 ]" 1 262 1 21 LEU O 1 25 TYR N . . 3.300 2.561 2.421 2.788 . 0 0 "[ . 1 . 2 . 3 ]" 1 263 1 22 VAL H 1 22 VAL HB . . 4.000 2.435 2.133 2.719 . 0 0 "[ . 1 . 2 . 3 ]" 1 264 1 22 VAL H 1 23 LYS H . . 3.300 2.701 2.502 2.986 . 0 0 "[ . 1 . 2 . 3 ]" 1 265 1 22 VAL HA 1 25 TYR H . . 5.000 3.197 2.886 3.634 . 0 0 "[ . 1 . 2 . 3 ]" 1 266 1 22 VAL HA 1 26 GLY H . . 3.300 2.888 2.196 3.347 0.047 17 0 "[ . 1 . 2 . 3 ]" 1 267 1 22 VAL HA 1 33 ILE MD . . 5.500 3.801 3.348 4.072 . 0 0 "[ . 1 . 2 . 3 ]" 1 268 1 22 VAL MG1 1 23 LYS H . . 7.500 3.770 3.032 4.146 . 0 0 "[ . 1 . 2 . 3 ]" 1 269 1 22 VAL MG1 1 26 GLY QA . . 7.380 3.421 2.664 4.275 . 0 0 "[ . 1 . 2 . 3 ]" 1 270 1 22 VAL MG1 1 27 THR MG . . 7.000 3.435 1.749 4.595 . 0 0 "[ . 1 . 2 . 3 ]" 1 271 1 22 VAL MG1 1 33 ILE MD . . 8.000 3.337 2.572 4.038 . 0 0 "[ . 1 . 2 . 3 ]" 1 272 1 22 VAL MG1 1 49 TRP HZ2 . . 5.500 3.299 1.902 4.488 . 0 0 "[ . 1 . 2 . 3 ]" 1 273 1 22 VAL MG1 1 49 TRP HZ3 . . 6.500 3.713 1.954 5.236 . 0 0 "[ . 1 . 2 . 3 ]" 1 274 1 22 VAL MG2 1 23 LYS H . . 7.500 4.003 3.619 4.317 . 0 0 "[ . 1 . 2 . 3 ]" 1 275 1 22 VAL MG2 1 26 GLY H . . 6.500 4.642 3.824 5.106 . 0 0 "[ . 1 . 2 . 3 ]" 1 276 1 22 VAL MG2 1 30 TRP HH2 . . 10.000 4.973 3.882 6.594 . 0 0 "[ . 1 . 2 . 3 ]" 1 277 1 22 VAL MG2 1 30 TRP HZ3 . . 7.500 4.623 3.515 6.412 . 0 0 "[ . 1 . 2 . 3 ]" 1 278 1 22 VAL MG2 1 33 ILE MD . . 5.800 1.806 1.660 2.271 . 0 0 "[ . 1 . 2 . 3 ]" 1 279 1 22 VAL MG2 1 33 ILE MG . . 6.300 3.978 3.538 4.431 . 0 0 "[ . 1 . 2 . 3 ]" 1 280 1 22 VAL MG2 1 49 TRP HZ2 . . 6.500 3.424 1.906 5.490 . 0 0 "[ . 1 . 2 . 3 ]" 1 281 1 22 VAL MG2 1 49 TRP HZ3 . . 7.500 3.997 1.898 5.682 . 0 0 "[ . 1 . 2 . 3 ]" 1 282 1 23 LYS H 1 23 LYS HA . . 2.800 2.850 2.778 2.906 0.106 14 0 "[ . 1 . 2 . 3 ]" 1 283 1 23 LYS H 1 23 LYS QB . . 3.800 2.179 2.043 2.747 . 0 0 "[ . 1 . 2 . 3 ]" 1 284 1 23 LYS H 1 23 LYS HG2 . . 4.000 3.413 1.943 3.987 . 0 0 "[ . 1 . 2 . 3 ]" 1 285 1 23 LYS H 1 23 LYS QG . . 3.560 2.847 1.872 3.262 . 0 0 "[ . 1 . 2 . 3 ]" 1 286 1 23 LYS H 1 23 LYS HG3 . . 4.000 3.157 1.936 4.017 0.017 2 0 "[ . 1 . 2 . 3 ]" 1 287 1 23 LYS H 1 24 LYS H . . 2.800 2.526 2.241 2.734 . 0 0 "[ . 1 . 2 . 3 ]" 1 288 1 23 LYS QB 1 24 LYS H . . 4.300 2.979 2.414 3.813 . 0 0 "[ . 1 . 2 . 3 ]" 1 289 1 24 LYS H 1 24 LYS HA . . 2.800 2.863 2.807 2.936 0.136 3 0 "[ . 1 . 2 . 3 ]" 1 290 1 24 LYS H 1 24 LYS HB2 . . 2.800 2.353 2.173 2.687 . 0 0 "[ . 1 . 2 . 3 ]" 1 291 1 24 LYS H 1 25 TYR H . . 2.800 2.380 1.907 2.613 . 0 0 "[ . 1 . 2 . 3 ]" 1 292 1 24 LYS HA 1 24 LYS HD2 . . 5.000 4.270 3.513 4.806 . 0 0 "[ . 1 . 2 . 3 ]" 1 293 1 24 LYS HA 1 24 LYS QD . . 4.440 3.817 3.305 4.076 . 0 0 "[ . 1 . 2 . 3 ]" 1 294 1 24 LYS HA 1 24 LYS HD3 . . 5.000 4.352 4.025 4.505 . 0 0 "[ . 1 . 2 . 3 ]" 1 295 1 24 LYS HA 1 24 LYS HG2 . . 4.000 2.225 2.057 2.942 . 0 0 "[ . 1 . 2 . 3 ]" 1 296 1 24 LYS HA 1 24 LYS QG . . 3.560 2.131 2.033 2.272 . 0 0 "[ . 1 . 2 . 3 ]" 1 297 1 24 LYS HA 1 24 LYS HG3 . . 4.000 3.014 2.208 3.396 . 0 0 "[ . 1 . 2 . 3 ]" 1 298 1 24 LYS HA 1 26 GLY H . . 5.000 5.086 4.991 5.172 0.172 29 0 "[ . 1 . 2 . 3 ]" 1 299 1 24 LYS HB2 1 25 TYR H . . 4.000 4.019 3.690 4.196 0.196 27 0 "[ . 1 . 2 . 3 ]" 1 300 1 24 LYS HB3 1 24 LYS HD2 . . 4.000 3.104 2.172 3.868 . 0 0 "[ . 1 . 2 . 3 ]" 1 301 1 24 LYS HB3 1 24 LYS HD3 . . 4.000 2.806 1.994 3.608 . 0 0 "[ . 1 . 2 . 3 ]" 1 302 1 24 LYS HB3 1 25 TYR H . . 4.000 3.304 2.688 3.722 . 0 0 "[ . 1 . 2 . 3 ]" 1 303 1 24 LYS QD 1 25 TYR HE1 . . 4.880 3.782 2.752 4.333 . 0 0 "[ . 1 . 2 . 3 ]" 1 304 1 24 LYS HE2 1 25 TYR HE1 . . 4.000 3.497 2.134 4.045 0.045 12 0 "[ . 1 . 2 . 3 ]" 1 305 1 24 LYS HE3 1 25 TYR HE1 . . 4.000 3.534 2.445 4.070 0.070 1 0 "[ . 1 . 2 . 3 ]" 1 306 1 24 LYS QG 1 25 TYR H . . 6.880 4.544 4.106 4.701 . 0 0 "[ . 1 . 2 . 3 ]" 1 307 1 25 TYR CG 1 32 LEU QD . . 7.870 2.862 2.084 3.983 . 0 0 "[ . 1 . 2 . 3 ]" 1 308 1 25 TYR CZ 1 25 TYR HA . . 4.800 4.899 4.839 5.006 0.206 30 0 "[ . 1 . 2 . 3 ]" 1 309 1 25 TYR CZ 1 32 LEU QD . . 7.870 2.917 2.472 3.834 . 0 0 "[ . 1 . 2 . 3 ]" 1 310 1 25 TYR H 1 25 TYR HB2 . . 3.300 2.072 2.021 2.160 . 0 0 "[ . 1 . 2 . 3 ]" 1 311 1 25 TYR H 1 25 TYR HB3 . . 4.000 3.388 3.341 3.435 . 0 0 "[ . 1 . 2 . 3 ]" 1 312 1 25 TYR H 1 26 GLY H . . 2.800 2.438 2.163 2.597 . 0 0 "[ . 1 . 2 . 3 ]" 1 313 1 25 TYR HA 1 29 GLN HE21 . . 5.000 4.272 3.418 5.053 0.053 25 0 "[ . 1 . 2 . 3 ]" 1 314 1 25 TYR HA 1 29 GLN HE22 . . 5.000 4.334 2.510 5.026 0.026 6 0 "[ . 1 . 2 . 3 ]" 1 315 1 25 TYR HB2 1 26 GLY H . . 5.000 2.323 2.233 2.445 . 0 0 "[ . 1 . 2 . 3 ]" 1 316 1 25 TYR HB2 1 29 GLN QE . . 5.870 4.448 3.408 5.163 . 0 0 "[ . 1 . 2 . 3 ]" 1 317 1 25 TYR HB3 1 26 GLY H . . 6.000 2.966 2.750 3.245 . 0 0 "[ . 1 . 2 . 3 ]" 1 318 1 25 TYR HB3 1 29 GLN HE21 . . 5.000 3.258 2.081 3.976 . 0 0 "[ . 1 . 2 . 3 ]" 1 319 1 25 TYR HB3 1 29 GLN QE . . 4.440 3.033 1.934 3.796 . 0 0 "[ . 1 . 2 . 3 ]" 1 320 1 25 TYR HB3 1 29 GLN HE22 . . 5.000 3.894 1.969 5.003 0.003 27 0 "[ . 1 . 2 . 3 ]" 1 321 1 25 TYR HD2 1 33 ILE MD . . 5.500 4.545 4.182 4.699 . 0 0 "[ . 1 . 2 . 3 ]" 1 322 1 25 TYR HE2 1 33 ILE MD . . 6.500 5.339 5.170 5.519 . 0 0 "[ . 1 . 2 . 3 ]" 1 323 1 26 GLY H 1 26 GLY HA2 . . 2.800 2.377 2.246 2.663 . 0 0 "[ . 1 . 2 . 3 ]" 1 324 1 26 GLY H 1 26 GLY HA3 . . 2.800 2.777 2.554 2.961 0.161 1 0 "[ . 1 . 2 . 3 ]" 1 325 1 26 GLY H 1 27 THR H . . 5.000 3.598 1.877 4.140 . 0 0 "[ . 1 . 2 . 3 ]" 1 326 1 26 GLY QA 1 28 LYS H . . 4.880 4.263 3.557 4.613 . 0 0 "[ . 1 . 2 . 3 ]" 1 327 1 26 GLY HA2 1 27 THR H . . 3.300 2.735 2.222 3.548 0.248 27 0 "[ . 1 . 2 . 3 ]" 1 328 1 26 GLY HA3 1 27 THR H . . 3.300 3.131 2.203 3.542 0.242 31 0 "[ . 1 . 2 . 3 ]" 1 329 1 27 THR H 1 28 LYS H . . 3.300 2.492 1.892 3.008 . 0 0 "[ . 1 . 2 . 3 ]" 1 330 1 27 THR MG 1 32 LEU QD . . 8.570 4.910 4.456 5.383 . 0 0 "[ . 1 . 2 . 3 ]" 1 331 1 28 LYS H 1 28 LYS HB2 . . 4.000 3.206 2.422 3.826 . 0 0 "[ . 1 . 2 . 3 ]" 1 332 1 28 LYS H 1 28 LYS QB . . 3.560 2.885 2.298 3.105 . 0 0 "[ . 1 . 2 . 3 ]" 1 333 1 28 LYS H 1 28 LYS HB3 . . 4.000 3.422 2.663 3.915 . 0 0 "[ . 1 . 2 . 3 ]" 1 334 1 28 LYS H 1 28 LYS QG . . 5.000 4.020 2.205 4.502 . 0 0 "[ . 1 . 2 . 3 ]" 1 335 1 28 LYS H 1 29 GLN H . . 2.800 2.083 1.448 3.027 0.227 8 0 "[ . 1 . 2 . 3 ]" 1 336 1 28 LYS HA 1 28 LYS HD2 . . 5.000 3.953 1.999 4.987 . 0 0 "[ . 1 . 2 . 3 ]" 1 337 1 28 LYS HA 1 28 LYS HD3 . . 5.000 4.135 2.711 5.029 0.029 21 0 "[ . 1 . 2 . 3 ]" 1 338 1 28 LYS HA 1 28 LYS QE . . 6.000 3.750 2.066 5.357 . 0 0 "[ . 1 . 2 . 3 ]" 1 339 1 28 LYS HA 1 30 TRP HD1 . . 3.800 3.682 2.977 3.897 0.097 14 0 "[ . 1 . 2 . 3 ]" 1 340 1 28 LYS HA 1 30 TRP HE1 . . 5.000 4.676 4.012 5.104 0.104 30 0 "[ . 1 . 2 . 3 ]" 1 341 1 28 LYS QB 1 29 GLN H . . 5.880 3.420 2.062 4.137 . 0 0 "[ . 1 . 2 . 3 ]" 1 342 1 29 GLN H 1 29 GLN HB2 . . 4.000 2.510 2.134 3.576 . 0 0 "[ . 1 . 2 . 3 ]" 1 343 1 29 GLN H 1 29 GLN HB3 . . 4.000 3.588 3.429 3.947 . 0 0 "[ . 1 . 2 . 3 ]" 1 344 1 29 GLN H 1 29 GLN HG2 . . 5.000 3.949 2.159 4.735 . 0 0 "[ . 1 . 2 . 3 ]" 1 345 1 29 GLN H 1 29 GLN QG . . 4.440 3.074 1.951 3.916 . 0 0 "[ . 1 . 2 . 3 ]" 1 346 1 29 GLN H 1 29 GLN HG3 . . 5.000 3.306 1.962 4.234 . 0 0 "[ . 1 . 2 . 3 ]" 1 347 1 29 GLN H 1 30 TRP H . . 4.000 3.665 2.287 4.085 0.085 11 0 "[ . 1 . 2 . 3 ]" 1 348 1 29 GLN HA 1 29 GLN HG2 . . 4.000 2.679 2.120 3.524 . 0 0 "[ . 1 . 2 . 3 ]" 1 349 1 29 GLN HA 1 29 GLN QG . . 3.560 2.231 2.022 2.609 . 0 0 "[ . 1 . 2 . 3 ]" 1 350 1 29 GLN HA 1 29 GLN HG3 . . 4.000 2.753 2.043 3.734 . 0 0 "[ . 1 . 2 . 3 ]" 1 351 1 29 GLN HA 1 31 THR H . . 5.000 3.043 2.787 3.734 . 0 0 "[ . 1 . 2 . 3 ]" 1 352 1 29 GLN HA 1 32 LEU QD . . 9.070 4.769 3.622 6.207 . 0 0 "[ . 1 . 2 . 3 ]" 1 353 1 29 GLN HB2 1 32 LEU QB . . 6.000 3.933 2.834 4.622 . 0 0 "[ . 1 . 2 . 3 ]" 1 354 1 29 GLN QG 1 32 LEU QD . . 8.230 4.256 2.861 5.274 . 0 0 "[ . 1 . 2 . 3 ]" 1 355 1 29 GLN HG2 1 32 LEU MD1 . . 9.250 6.521 3.937 7.854 . 0 0 "[ . 1 . 2 . 3 ]" 1 356 1 29 GLN HG2 1 32 LEU MD2 . . 9.250 5.297 2.940 7.780 . 0 0 "[ . 1 . 2 . 3 ]" 1 357 1 29 GLN HG3 1 32 LEU MD1 . . 9.250 6.728 4.063 7.877 . 0 0 "[ . 1 . 2 . 3 ]" 1 358 1 29 GLN HG3 1 32 LEU MD2 . . 9.250 5.423 3.351 7.805 . 0 0 "[ . 1 . 2 . 3 ]" 1 359 1 30 TRP H 1 30 TRP HB2 . . 4.000 2.327 2.108 3.385 . 0 0 "[ . 1 . 2 . 3 ]" 1 360 1 30 TRP H 1 30 TRP HB3 . . 4.000 3.522 3.403 4.105 0.105 13 0 "[ . 1 . 2 . 3 ]" 1 361 1 30 TRP H 1 30 TRP HD1 . . 4.000 3.474 2.721 4.175 0.175 20 0 "[ . 1 . 2 . 3 ]" 1 362 1 30 TRP HA 1 30 TRP HD1 . . 4.000 4.051 3.676 4.265 0.265 24 0 "[ . 1 . 2 . 3 ]" 1 363 1 30 TRP HA 1 30 TRP HE3 . . 4.000 2.913 2.456 3.512 . 0 0 "[ . 1 . 2 . 3 ]" 1 364 1 30 TRP HA 1 33 ILE HB . . 4.000 3.294 2.907 3.860 . 0 0 "[ . 1 . 2 . 3 ]" 1 365 1 30 TRP HA 1 33 ILE MD . . 6.500 1.868 1.729 3.023 . 0 0 "[ . 1 . 2 . 3 ]" 1 366 1 30 TRP HA 1 33 ILE MG . . 5.500 4.537 4.244 4.756 . 0 0 "[ . 1 . 2 . 3 ]" 1 367 1 30 TRP HB2 1 30 TRP HE1 . . 5.000 4.927 4.910 4.964 . 0 0 "[ . 1 . 2 . 3 ]" 1 368 1 30 TRP HB2 1 31 THR H . . 4.000 3.552 3.250 3.931 . 0 0 "[ . 1 . 2 . 3 ]" 1 369 1 30 TRP HB3 1 31 THR H . . 4.000 4.030 3.760 4.262 0.262 30 0 "[ . 1 . 2 . 3 ]" 1 370 1 30 TRP HD1 1 46 ARG QD . . 6.500 4.986 3.387 5.856 . 0 0 "[ . 1 . 2 . 3 ]" 1 371 1 30 TRP HD1 1 46 ARG QG . . 5.380 4.764 4.142 5.152 . 0 0 "[ . 1 . 2 . 3 ]" 1 372 1 30 TRP HE3 1 33 ILE HB . . 3.300 2.822 2.111 3.300 . 0 0 "[ . 1 . 2 . 3 ]" 1 373 1 30 TRP HE3 1 33 ILE MG . . 5.500 3.123 2.594 3.538 . 0 0 "[ . 1 . 2 . 3 ]" 1 374 1 30 TRP HH2 1 33 ILE MD . . 8.500 4.898 4.183 5.904 . 0 0 "[ . 1 . 2 . 3 ]" 1 375 1 30 TRP HH2 1 45 CYS QB . . 8.000 4.131 2.066 6.935 . 0 0 "[ . 1 . 2 . 3 ]" 1 376 1 30 TRP HH2 1 50 HIS HD2 . . 5.500 5.096 3.389 5.577 0.077 18 0 "[ . 1 . 2 . 3 ]" 1 377 1 30 TRP HZ3 1 33 ILE MD . . 8.500 3.783 2.989 5.006 . 0 0 "[ . 1 . 2 . 3 ]" 1 378 1 30 TRP HZ3 1 33 ILE MG . . 4.300 2.977 2.182 3.416 . 0 0 "[ . 1 . 2 . 3 ]" 1 379 1 30 TRP HZ3 1 45 CYS QB . . 8.000 3.142 1.864 5.499 . 0 0 "[ . 1 . 2 . 3 ]" 1 380 1 31 THR H 1 31 THR HA . . 2.800 2.846 2.771 2.926 0.126 30 0 "[ . 1 . 2 . 3 ]" 1 381 1 31 THR H 1 31 THR HB . . 2.800 1.994 1.942 2.124 . 0 0 "[ . 1 . 2 . 3 ]" 1 382 1 31 THR H 1 31 THR MG . . 4.800 3.197 2.966 3.397 . 0 0 "[ . 1 . 2 . 3 ]" 1 383 1 31 THR H 1 32 LEU H . . 2.800 2.570 2.327 2.810 0.010 18 0 "[ . 1 . 2 . 3 ]" 1 384 1 31 THR H 1 32 LEU QB . . 7.000 4.333 4.122 4.656 . 0 0 "[ . 1 . 2 . 3 ]" 1 385 1 31 THR HA 1 31 THR HB . . 2.800 2.882 2.810 2.969 0.169 30 0 "[ . 1 . 2 . 3 ]" 1 386 1 31 THR HA 1 34 ALA MB . . 4.300 3.034 2.516 3.608 . 0 0 "[ . 1 . 2 . 3 ]" 1 387 1 31 THR HB 1 32 LEU H . . 3.300 3.271 2.883 3.349 0.049 25 0 "[ . 1 . 2 . 3 ]" 1 388 1 31 THR MG 1 32 LEU H . . 5.500 2.404 1.984 2.968 . 0 0 "[ . 1 . 2 . 3 ]" 1 389 1 31 THR MG 1 32 LEU HA . . 4.300 2.903 2.774 3.044 . 0 0 "[ . 1 . 2 . 3 ]" 1 390 1 31 THR MG 1 34 ALA MB . . 7.000 4.484 4.137 4.683 . 0 0 "[ . 1 . 2 . 3 ]" 1 391 1 31 THR MG 1 35 LYS QE . . 6.500 3.286 1.923 4.689 . 0 0 "[ . 1 . 2 . 3 ]" 1 392 1 31 THR MG 1 35 LYS QG . . 5.680 3.240 2.571 4.089 . 0 0 "[ . 1 . 2 . 3 ]" 1 393 1 31 THR O 1 35 LYS H . . 2.300 2.020 1.597 2.424 0.124 20 0 "[ . 1 . 2 . 3 ]" 1 394 1 31 THR O 1 35 LYS N . . 3.300 2.511 2.343 2.637 . 0 0 "[ . 1 . 2 . 3 ]" 1 395 1 32 LEU H 1 32 LEU HA . . 2.800 2.753 2.733 2.825 0.025 16 0 "[ . 1 . 2 . 3 ]" 1 396 1 32 LEU H 1 32 LEU QB . . 3.800 2.076 1.990 2.213 . 0 0 "[ . 1 . 2 . 3 ]" 1 397 1 32 LEU H 1 32 LEU HG . . 4.000 3.206 2.588 4.313 0.313 16 0 "[ . 1 . 2 . 3 ]" 1 398 1 32 LEU H 1 33 ILE H . . 3.300 2.799 2.527 2.896 . 0 0 "[ . 1 . 2 . 3 ]" 1 399 1 32 LEU H 1 33 ILE QG . . 5.880 5.115 3.631 5.323 . 0 0 "[ . 1 . 2 . 3 ]" 1 400 1 32 LEU HA 1 32 LEU HG . . 4.000 3.866 3.661 4.243 0.243 6 0 "[ . 1 . 2 . 3 ]" 1 401 1 32 LEU HA 1 35 LYS HB2 . . 5.000 3.097 2.138 3.779 . 0 0 "[ . 1 . 2 . 3 ]" 1 402 1 32 LEU HA 1 35 LYS QB . . 4.440 2.056 1.821 2.383 . 0 0 "[ . 1 . 2 . 3 ]" 1 403 1 32 LEU HA 1 35 LYS HB3 . . 5.000 2.096 1.914 2.409 . 0 0 "[ . 1 . 2 . 3 ]" 1 404 1 32 LEU HA 1 35 LYS QD . . 5.000 3.389 2.604 4.174 . 0 0 "[ . 1 . 2 . 3 ]" 1 405 1 32 LEU HA 1 35 LYS QE . . 5.000 3.628 1.990 4.516 . 0 0 "[ . 1 . 2 . 3 ]" 1 406 1 32 LEU HA 1 35 LYS QG . . 4.880 4.069 3.520 4.460 . 0 0 "[ . 1 . 2 . 3 ]" 1 407 1 32 LEU QB 1 33 ILE H . . 4.300 3.448 3.203 3.767 . 0 0 "[ . 1 . 2 . 3 ]" 1 408 1 32 LEU QB 1 33 ILE MG . . 7.500 5.870 5.793 5.996 . 0 0 "[ . 1 . 2 . 3 ]" 1 409 1 32 LEU QD 1 36 HIS HD2 . . 6.330 2.851 1.995 3.675 . 0 0 "[ . 1 . 2 . 3 ]" 1 410 1 32 LEU QD 1 36 HIS HE1 . . 5.200 3.452 2.537 3.917 . 0 0 "[ . 1 . 2 . 3 ]" 1 411 1 32 LEU MD1 1 36 HIS HD2 . . 7.000 3.320 2.001 4.718 . 0 0 "[ . 1 . 2 . 3 ]" 1 412 1 32 LEU MD1 1 36 HIS HE1 . . 6.000 4.197 3.217 5.331 . 0 0 "[ . 1 . 2 . 3 ]" 1 413 1 32 LEU MD2 1 36 HIS HD2 . . 7.000 4.310 2.622 5.369 . 0 0 "[ . 1 . 2 . 3 ]" 1 414 1 32 LEU MD2 1 36 HIS HE1 . . 6.000 4.251 2.542 4.842 . 0 0 "[ . 1 . 2 . 3 ]" 1 415 1 33 ILE H 1 33 ILE HB . . 2.800 2.352 2.207 2.580 . 0 0 "[ . 1 . 2 . 3 ]" 1 416 1 33 ILE H 1 33 ILE HG12 . . 4.000 3.807 1.824 4.117 0.117 3 0 "[ . 1 . 2 . 3 ]" 1 417 1 33 ILE H 1 33 ILE HG13 . . 4.000 3.060 2.652 3.585 . 0 0 "[ . 1 . 2 . 3 ]" 1 418 1 33 ILE H 1 34 ALA H . . 3.300 2.785 2.271 3.325 0.025 8 0 "[ . 1 . 2 . 3 ]" 1 419 1 33 ILE HA 1 33 ILE HG12 . . 4.000 3.426 3.265 3.513 . 0 0 "[ . 1 . 2 . 3 ]" 1 420 1 33 ILE HA 1 33 ILE QG . . 3.560 2.242 2.127 3.083 . 0 0 "[ . 1 . 2 . 3 ]" 1 421 1 33 ILE HA 1 33 ILE HG13 . . 4.000 2.291 2.152 3.789 . 0 0 "[ . 1 . 2 . 3 ]" 1 422 1 33 ILE HA 1 36 HIS HD2 . . 4.500 4.620 4.338 4.838 0.338 10 0 "[ . 1 . 2 . 3 ]" 1 423 1 33 ILE HB 1 34 ALA H . . 2.800 2.550 2.087 2.852 0.052 17 0 "[ . 1 . 2 . 3 ]" 1 424 1 33 ILE QG 1 34 ALA H . . 4.880 4.384 3.681 4.546 . 0 0 "[ . 1 . 2 . 3 ]" 1 425 1 33 ILE MG 1 34 ALA H . . 5.500 3.152 2.432 3.529 . 0 0 "[ . 1 . 2 . 3 ]" 1 426 1 33 ILE MG 1 34 ALA HA . . 4.300 3.469 3.075 3.841 . 0 0 "[ . 1 . 2 . 3 ]" 1 427 1 33 ILE MG 1 34 ALA MB . . 6.500 3.480 3.218 3.959 . 0 0 "[ . 1 . 2 . 3 ]" 1 428 1 33 ILE MG 1 45 CYS HB2 . . 6.500 4.152 1.927 5.301 . 0 0 "[ . 1 . 2 . 3 ]" 1 429 1 33 ILE MG 1 45 CYS QB . . 5.960 3.572 1.699 4.333 . 0 0 "[ . 1 . 2 . 3 ]" 1 430 1 33 ILE MG 1 45 CYS HB3 . . 6.500 4.063 1.888 5.347 . 0 0 "[ . 1 . 2 . 3 ]" 1 431 1 34 ALA H 1 34 ALA HA . . 2.800 2.859 2.690 2.933 0.133 14 0 "[ . 1 . 2 . 3 ]" 1 432 1 34 ALA H 1 35 LYS H . . 2.800 2.651 2.264 2.987 0.187 8 0 "[ . 1 . 2 . 3 ]" 1 433 1 34 ALA HA 1 37 LEU QB . . 5.000 3.713 2.267 4.207 . 0 0 "[ . 1 . 2 . 3 ]" 1 434 1 34 ALA HA 1 37 LEU HG . . 5.000 4.703 3.601 5.135 0.135 22 0 "[ . 1 . 2 . 3 ]" 1 435 1 34 ALA MB 1 35 LYS HA . . 5.000 4.016 3.622 4.247 . 0 0 "[ . 1 . 2 . 3 ]" 1 436 1 34 ALA MB 1 41 LEU HA . . 4.800 3.698 2.332 4.041 . 0 0 "[ . 1 . 2 . 3 ]" 1 437 1 34 ALA MB 1 42 GLY HA2 . . 4.300 3.167 1.771 3.587 . 0 0 "[ . 1 . 2 . 3 ]" 1 438 1 34 ALA MB 1 42 GLY HA3 . . 4.300 2.576 1.771 3.651 . 0 0 "[ . 1 . 2 . 3 ]" 1 439 1 35 LYS H 1 35 LYS HA . . 2.800 2.876 2.690 2.940 0.140 11 0 "[ . 1 . 2 . 3 ]" 1 440 1 35 LYS H 1 35 LYS HB2 . . 2.800 2.654 2.177 3.057 0.257 3 0 "[ . 1 . 2 . 3 ]" 1 441 1 35 LYS H 1 35 LYS HB3 . . 2.800 2.698 2.326 2.884 0.084 25 0 "[ . 1 . 2 . 3 ]" 1 442 1 35 LYS H 1 35 LYS QG . . 4.880 4.006 3.782 4.185 . 0 0 "[ . 1 . 2 . 3 ]" 1 443 1 35 LYS H 1 36 HIS H . . 2.800 2.187 1.803 2.861 0.061 21 0 "[ . 1 . 2 . 3 ]" 1 444 1 35 LYS HA 1 35 LYS QD . . 5.000 3.723 3.025 4.216 . 0 0 "[ . 1 . 2 . 3 ]" 1 445 1 35 LYS HA 1 35 LYS QE . . 6.000 4.452 3.209 5.017 . 0 0 "[ . 1 . 2 . 3 ]" 1 446 1 35 LYS HA 1 36 HIS HD2 . . 5.500 4.530 4.058 5.156 . 0 0 "[ . 1 . 2 . 3 ]" 1 447 1 35 LYS QB 1 36 HIS HD2 . . 5.380 2.195 1.910 2.749 . 0 0 "[ . 1 . 2 . 3 ]" 1 448 1 35 LYS HB2 1 36 HIS H . . 4.000 3.955 3.591 4.239 0.239 24 0 "[ . 1 . 2 . 3 ]" 1 449 1 35 LYS HB3 1 36 HIS H . . 4.000 2.970 2.745 3.769 . 0 0 "[ . 1 . 2 . 3 ]" 1 450 1 36 HIS H 1 36 HIS HB2 . . 3.300 2.381 2.188 2.562 . 0 0 "[ . 1 . 2 . 3 ]" 1 451 1 36 HIS H 1 36 HIS HB3 . . 4.000 3.562 3.469 3.671 . 0 0 "[ . 1 . 2 . 3 ]" 1 452 1 36 HIS H 1 36 HIS HD2 . . 4.500 2.448 1.907 3.451 . 0 0 "[ . 1 . 2 . 3 ]" 1 453 1 36 HIS HA 1 36 HIS HD2 . . 3.800 3.333 2.996 3.777 . 0 0 "[ . 1 . 2 . 3 ]" 1 454 1 36 HIS HA 1 36 HIS HE1 . . 5.500 5.461 5.165 5.632 0.132 14 0 "[ . 1 . 2 . 3 ]" 1 455 1 36 HIS HB2 1 37 LEU H . . 6.000 2.976 2.277 4.186 . 0 0 "[ . 1 . 2 . 3 ]" 1 456 1 36 HIS HB3 1 37 LEU H . . 6.000 3.780 2.857 4.580 . 0 0 "[ . 1 . 2 . 3 ]" 1 457 1 37 LEU H 1 37 LEU QB . . 3.800 2.793 2.312 3.059 . 0 0 "[ . 1 . 2 . 3 ]" 1 458 1 37 LEU H 1 37 LEU MD2 . . 5.500 3.020 2.256 4.101 . 0 0 "[ . 1 . 2 . 3 ]" 1 459 1 37 LEU H 1 37 LEU HG . . 4.000 2.536 1.923 4.226 0.226 26 0 "[ . 1 . 2 . 3 ]" 1 460 1 37 LEU H 1 38 LYS H . . 4.000 3.963 3.383 4.417 0.417 26 0 "[ . 1 . 2 . 3 ]" 1 461 1 37 LEU HA 1 37 LEU MD1 . . 4.800 3.795 1.906 4.061 . 0 0 "[ . 1 . 2 . 3 ]" 1 462 1 37 LEU HA 1 37 LEU MD2 . . 4.300 2.308 1.943 2.856 . 0 0 "[ . 1 . 2 . 3 ]" 1 463 1 37 LEU HA 1 37 LEU HG . . 3.300 3.455 3.012 3.754 0.454 26 0 "[ . 1 . 2 . 3 ]" 1 464 1 37 LEU HA 1 38 LYS H . . 2.800 2.310 2.176 2.686 . 0 0 "[ . 1 . 2 . 3 ]" 1 465 1 37 LEU MD2 1 38 LYS H . . 5.500 4.167 3.460 4.550 . 0 0 "[ . 1 . 2 . 3 ]" 1 466 1 38 LYS H 1 38 LYS HA . . 2.800 2.817 2.226 2.938 0.138 23 0 "[ . 1 . 2 . 3 ]" 1 467 1 38 LYS H 1 38 LYS QB . . 3.460 2.503 1.988 3.158 . 0 0 "[ . 1 . 2 . 3 ]" 1 468 1 38 LYS H 1 38 LYS QD . . 3.800 3.266 1.911 3.690 . 0 0 "[ . 1 . 2 . 3 ]" 1 469 1 38 LYS H 1 38 LYS HG2 . . 5.000 3.636 1.972 5.088 0.088 16 0 "[ . 1 . 2 . 3 ]" 1 470 1 38 LYS H 1 38 LYS QG . . 4.440 2.868 1.808 4.094 . 0 0 "[ . 1 . 2 . 3 ]" 1 471 1 38 LYS H 1 38 LYS HG3 . . 5.000 3.336 1.823 5.073 0.073 22 0 "[ . 1 . 2 . 3 ]" 1 472 1 38 LYS H 1 39 GLY H . . 5.000 4.116 2.128 4.599 . 0 0 "[ . 1 . 2 . 3 ]" 1 473 1 38 LYS HA 1 38 LYS QD . . 5.000 3.009 1.820 4.230 . 0 0 "[ . 1 . 2 . 3 ]" 1 474 1 38 LYS HA 1 39 GLY H . . 2.800 2.668 2.176 3.001 0.201 30 0 "[ . 1 . 2 . 3 ]" 1 475 1 38 LYS HA 1 40 ARG H . . 4.000 3.468 2.866 4.045 0.045 18 0 "[ . 1 . 2 . 3 ]" 1 476 1 38 LYS QB 1 39 GLY H . . 4.880 2.791 1.931 4.130 . 0 0 "[ . 1 . 2 . 3 ]" 1 477 1 38 LYS QD 1 39 GLY H . . 5.000 3.777 1.883 4.506 . 0 0 "[ . 1 . 2 . 3 ]" 1 478 1 38 LYS QG 1 39 GLY H . . 5.450 3.504 2.227 4.806 . 0 0 "[ . 1 . 2 . 3 ]" 1 479 1 38 LYS HG2 1 39 GLY H . . 6.000 4.344 2.853 5.986 . 0 0 "[ . 1 . 2 . 3 ]" 1 480 1 38 LYS HG3 1 39 GLY H . . 6.000 3.802 2.287 6.022 0.022 18 0 "[ . 1 . 2 . 3 ]" 1 481 1 39 GLY H 1 39 GLY HA2 . . 2.800 2.519 2.246 2.959 0.159 31 0 "[ . 1 . 2 . 3 ]" 1 482 1 39 GLY H 1 39 GLY HA3 . . 2.800 2.736 2.246 2.957 0.157 13 0 "[ . 1 . 2 . 3 ]" 1 483 1 39 GLY H 1 40 ARG H . . 4.000 2.673 1.805 3.593 . 0 0 "[ . 1 . 2 . 3 ]" 1 484 1 40 ARG H 1 40 ARG HB2 . . 4.000 2.948 2.285 3.738 . 0 0 "[ . 1 . 2 . 3 ]" 1 485 1 40 ARG H 1 40 ARG HB3 . . 4.000 3.512 2.667 3.984 . 0 0 "[ . 1 . 2 . 3 ]" 1 486 1 40 ARG H 1 40 ARG HG2 . . 5.000 4.460 3.507 5.040 0.040 14 0 "[ . 1 . 2 . 3 ]" 1 487 1 40 ARG H 1 40 ARG QG . . 4.440 3.872 3.176 4.082 . 0 0 "[ . 1 . 2 . 3 ]" 1 488 1 40 ARG H 1 40 ARG HG3 . . 5.000 4.363 3.496 4.945 . 0 0 "[ . 1 . 2 . 3 ]" 1 489 1 40 ARG HA 1 40 ARG HD2 . . 4.000 3.766 3.124 4.010 0.010 7 0 "[ . 1 . 2 . 3 ]" 1 490 1 40 ARG HA 1 40 ARG HD3 . . 4.000 3.667 2.773 4.020 0.020 11 0 "[ . 1 . 2 . 3 ]" 1 491 1 41 LEU H 1 41 LEU HB2 . . 2.800 2.311 2.091 3.085 0.285 7 0 "[ . 1 . 2 . 3 ]" 1 492 1 41 LEU H 1 41 LEU HB3 . . 4.000 3.522 3.386 3.960 . 0 0 "[ . 1 . 2 . 3 ]" 1 493 1 41 LEU H 1 41 LEU HG . . 4.000 4.010 3.836 4.274 0.274 7 0 "[ . 1 . 2 . 3 ]" 1 494 1 41 LEU HA 1 41 LEU MD1 . . 2.800 2.290 2.124 2.409 . 0 0 "[ . 1 . 2 . 3 ]" 1 495 1 41 LEU HA 1 41 LEU MD2 . . 2.800 2.219 2.062 2.391 . 0 0 "[ . 1 . 2 . 3 ]" 1 496 1 41 LEU HA 1 41 LEU HG . . 4.000 3.655 3.648 3.664 . 0 0 "[ . 1 . 2 . 3 ]" 1 497 1 41 LEU HB3 1 42 GLY H . . 4.000 2.765 1.859 4.098 0.098 21 0 "[ . 1 . 2 . 3 ]" 1 498 1 41 LEU HB3 1 44 GLN H . . 5.000 4.999 3.907 5.295 0.295 32 0 "[ . 1 . 2 . 3 ]" 1 499 1 43 LYS H 1 43 LYS HB2 . . 3.300 2.600 2.024 3.536 0.236 32 0 "[ . 1 . 2 . 3 ]" 1 500 1 43 LYS H 1 43 LYS HB3 . . 3.300 2.922 2.260 3.324 0.024 23 0 "[ . 1 . 2 . 3 ]" 1 501 1 43 LYS H 1 43 LYS QD . . 5.000 4.088 2.840 4.561 . 0 0 "[ . 1 . 2 . 3 ]" 1 502 1 43 LYS H 1 43 LYS QG . . 5.000 3.933 1.925 4.418 . 0 0 "[ . 1 . 2 . 3 ]" 1 503 1 43 LYS H 1 44 GLN H . . 5.000 3.189 1.917 4.392 . 0 0 "[ . 1 . 2 . 3 ]" 1 504 1 43 LYS HA 1 43 LYS QE . . 5.000 4.100 3.325 4.519 . 0 0 "[ . 1 . 2 . 3 ]" 1 505 1 43 LYS QG 1 44 GLN H . . 6.000 3.669 1.919 4.694 . 0 0 "[ . 1 . 2 . 3 ]" 1 506 1 44 GLN H 1 45 CYS H . . 4.000 3.429 2.228 4.078 0.078 4 0 "[ . 1 . 2 . 3 ]" 1 507 1 44 GLN HA 1 47 GLU QB . . 5.000 4.292 3.587 4.597 . 0 0 "[ . 1 . 2 . 3 ]" 1 508 1 45 CYS HB2 1 46 ARG H . . 5.000 3.371 2.170 4.611 . 0 0 "[ . 1 . 2 . 3 ]" 1 509 1 45 CYS HB3 1 46 ARG H . . 5.000 3.427 1.923 4.651 . 0 0 "[ . 1 . 2 . 3 ]" 1 510 1 46 ARG H 1 46 ARG HG2 . . 4.000 3.304 1.790 4.053 0.053 7 0 "[ . 1 . 2 . 3 ]" 1 511 1 46 ARG H 1 46 ARG HG3 . . 4.000 2.732 2.016 3.819 . 0 0 "[ . 1 . 2 . 3 ]" 1 512 1 46 ARG H 1 47 GLU H . . 4.000 3.513 2.980 4.308 0.308 24 0 "[ . 1 . 2 . 3 ]" 1 513 1 46 ARG HA 1 46 ARG HG2 . . 4.000 2.932 2.069 4.119 0.119 24 0 "[ . 1 . 2 . 3 ]" 1 514 1 46 ARG HA 1 46 ARG QG . . 3.560 2.618 2.039 3.357 . 0 0 "[ . 1 . 2 . 3 ]" 1 515 1 46 ARG HA 1 46 ARG HG3 . . 4.000 3.085 2.199 4.110 0.110 18 0 "[ . 1 . 2 . 3 ]" 1 516 1 46 ARG QB 1 49 TRP H . . 6.000 5.169 3.986 5.466 . 0 0 "[ . 1 . 2 . 3 ]" 1 517 1 46 ARG QB 1 50 HIS HD2 . . 5.500 3.253 1.883 4.489 . 0 0 "[ . 1 . 2 . 3 ]" 1 518 1 46 ARG QG 1 47 GLU H . . 4.880 4.337 3.187 4.532 . 0 0 "[ . 1 . 2 . 3 ]" 1 519 1 46 ARG QG 1 50 HIS HD2 . . 4.950 3.177 1.951 4.502 . 0 0 "[ . 1 . 2 . 3 ]" 1 520 1 46 ARG HG2 1 50 HIS HD2 . . 5.500 3.429 2.013 5.279 . 0 0 "[ . 1 . 2 . 3 ]" 1 521 1 46 ARG HG3 1 50 HIS HD2 . . 5.500 4.422 1.964 5.534 0.034 9 0 "[ . 1 . 2 . 3 ]" 1 522 1 47 GLU H 1 47 GLU QB . . 3.800 2.693 2.101 3.120 . 0 0 "[ . 1 . 2 . 3 ]" 1 523 1 47 GLU H 1 47 GLU HG2 . . 5.000 4.431 3.856 4.712 . 0 0 "[ . 1 . 2 . 3 ]" 1 524 1 47 GLU H 1 47 GLU QG . . 4.440 3.971 3.148 4.101 . 0 0 "[ . 1 . 2 . 3 ]" 1 525 1 47 GLU H 1 47 GLU HG3 . . 5.000 4.507 3.338 4.856 . 0 0 "[ . 1 . 2 . 3 ]" 1 526 1 47 GLU H 1 48 ARG H . . 4.000 2.805 1.797 4.147 0.147 17 0 "[ . 1 . 2 . 3 ]" 1 527 1 47 GLU HA 1 47 GLU HG2 . . 4.000 2.591 1.989 3.785 . 0 0 "[ . 1 . 2 . 3 ]" 1 528 1 47 GLU HA 1 47 GLU HG3 . . 4.000 2.835 2.370 3.535 . 0 0 "[ . 1 . 2 . 3 ]" 1 529 1 47 GLU QB 1 51 ASN HD21 . . 5.000 4.174 3.125 4.577 . 0 0 "[ . 1 . 2 . 3 ]" 1 530 1 47 GLU QB 1 51 ASN HD22 . . 5.000 4.203 2.941 4.560 . 0 0 "[ . 1 . 2 . 3 ]" 1 531 1 47 GLU QG 1 51 ASN QD . . 4.580 3.227 2.323 3.771 . 0 0 "[ . 1 . 2 . 3 ]" 1 532 1 47 GLU HG2 1 51 ASN HD21 . . 5.730 4.184 2.633 5.672 . 0 0 "[ . 1 . 2 . 3 ]" 1 533 1 47 GLU HG2 1 51 ASN HD22 . . 5.730 4.553 2.447 5.770 0.040 28 0 "[ . 1 . 2 . 3 ]" 1 534 1 47 GLU HG3 1 51 ASN HD21 . . 5.730 4.246 2.559 5.573 . 0 0 "[ . 1 . 2 . 3 ]" 1 535 1 47 GLU HG3 1 51 ASN HD22 . . 5.730 4.190 2.925 5.374 . 0 0 "[ . 1 . 2 . 3 ]" 1 536 1 48 ARG H 1 49 TRP H . . 3.300 2.338 1.727 3.288 . 0 0 "[ . 1 . 2 . 3 ]" 1 537 1 48 ARG H 1 49 TRP HA . . 6.000 4.658 4.006 5.447 . 0 0 "[ . 1 . 2 . 3 ]" 1 538 1 48 ARG HA 1 48 ARG QD . . 4.880 2.986 1.978 4.301 . 0 0 "[ . 1 . 2 . 3 ]" 1 539 1 48 ARG HA 1 52 HIS HD2 . . 3.300 3.172 2.004 3.349 0.049 25 0 "[ . 1 . 2 . 3 ]" 1 540 1 48 ARG QD 1 52 HIS HE1 . . 6.380 4.937 3.561 5.736 . 0 0 "[ . 1 . 2 . 3 ]" 1 541 1 49 TRP H 1 49 TRP HB2 . . 4.000 3.222 2.183 3.921 . 0 0 "[ . 1 . 2 . 3 ]" 1 542 1 49 TRP H 1 49 TRP QB . . 3.560 2.804 2.160 3.462 . 0 0 "[ . 1 . 2 . 3 ]" 1 543 1 49 TRP H 1 49 TRP HB3 . . 4.000 3.286 2.521 3.854 . 0 0 "[ . 1 . 2 . 3 ]" 1 544 1 49 TRP H 1 50 HIS H . . 3.300 2.048 1.699 2.886 . 0 0 "[ . 1 . 2 . 3 ]" 1 545 1 49 TRP HA 1 53 LEU H . . 5.000 4.597 2.750 5.090 0.090 26 0 "[ . 1 . 2 . 3 ]" 1 546 1 49 TRP QB 1 50 HIS H . . 4.000 3.275 2.306 3.941 . 0 0 "[ . 1 . 2 . 3 ]" 1 547 1 50 HIS H 1 50 HIS HB2 . . 3.300 2.306 2.005 3.070 . 0 0 "[ . 1 . 2 . 3 ]" 1 548 1 50 HIS H 1 50 HIS QB . . 2.930 2.170 1.986 2.616 . 0 0 "[ . 1 . 2 . 3 ]" 1 549 1 50 HIS H 1 50 HIS HB3 . . 3.300 2.923 2.314 3.471 0.171 13 0 "[ . 1 . 2 . 3 ]" 1 550 1 50 HIS H 1 51 ASN H . . 4.000 2.697 1.963 3.663 . 0 0 "[ . 1 . 2 . 3 ]" 1 551 1 50 HIS HA 1 50 HIS HD2 . . 4.500 3.825 2.816 4.701 0.201 28 0 "[ . 1 . 2 . 3 ]" 1 552 1 50 HIS HA 1 50 HIS HE1 . . 5.500 4.989 4.399 5.635 0.135 27 0 "[ . 1 . 2 . 3 ]" 1 553 1 50 HIS HA 1 51 ASN HD21 . . 5.000 4.576 3.834 5.154 0.154 12 0 "[ . 1 . 2 . 3 ]" 1 554 1 50 HIS HA 1 51 ASN HD22 . . 5.000 5.195 5.008 5.493 0.493 14 0 "[ . 1 . 2 . 3 ]" 1 555 1 50 HIS HB2 1 51 ASN H . . 6.000 3.393 2.254 4.097 . 0 0 "[ . 1 . 2 . 3 ]" 1 556 1 50 HIS HB3 1 51 ASN H . . 6.000 2.620 1.865 3.732 . 0 0 "[ . 1 . 2 . 3 ]" 1 557 1 51 ASN H 1 51 ASN HB2 . . 3.300 2.740 2.380 3.495 0.195 14 0 "[ . 1 . 2 . 3 ]" 1 558 1 51 ASN H 1 51 ASN QB . . 2.930 2.629 2.347 2.941 0.011 17 0 "[ . 1 . 2 . 3 ]" 1 559 1 51 ASN H 1 51 ASN HB3 . . 3.300 3.592 2.965 3.725 0.425 25 0 "[ . 1 . 2 . 3 ]" 1 560 1 51 ASN H 1 52 HIS H . . 4.000 3.490 1.920 4.274 0.274 15 0 "[ . 1 . 2 . 3 ]" 1 561 1 51 ASN HB2 1 51 ASN HD22 . . 4.000 3.649 3.548 4.151 0.151 14 0 "[ . 1 . 2 . 3 ]" 1 562 1 51 ASN HB3 1 51 ASN HD22 . . 4.000 4.119 3.591 4.158 0.158 17 0 "[ . 1 . 2 . 3 ]" 1 563 1 52 HIS H 1 53 LEU H . . 3.300 2.615 1.858 3.514 0.214 3 0 "[ . 1 . 2 . 3 ]" 1 564 1 52 HIS HA 1 52 HIS HD2 . . 4.500 3.210 2.291 4.514 0.014 22 0 "[ . 1 . 2 . 3 ]" 1 565 1 52 HIS HA 1 52 HIS HE1 . . 5.500 5.240 4.457 5.575 0.075 25 0 "[ . 1 . 2 . 3 ]" 1 566 1 52 HIS QB 1 53 LEU H . . 4.880 2.359 1.915 2.890 . 0 0 "[ . 1 . 2 . 3 ]" 1 567 1 52 HIS HD2 1 54 ASN QB . . 7.380 6.511 5.845 6.657 . 0 0 "[ . 1 . 2 . 3 ]" 1 568 1 55 PRO HA 1 56 GLU H . . 3.300 2.976 2.837 3.486 0.186 28 0 "[ . 1 . 2 . 3 ]" 1 569 1 55 PRO QD 1 56 GLU H . . 4.880 4.271 2.484 4.619 . 0 0 "[ . 1 . 2 . 3 ]" 1 570 1 56 GLU H 1 56 GLU HB2 . . 3.300 2.744 2.063 3.316 0.016 17 0 "[ . 1 . 2 . 3 ]" 1 571 1 56 GLU H 1 56 GLU HB3 . . 3.300 3.269 2.796 3.578 0.278 31 0 "[ . 1 . 2 . 3 ]" 1 572 1 56 GLU H 1 56 GLU HG2 . . 5.000 4.609 3.621 4.984 . 0 0 "[ . 1 . 2 . 3 ]" 1 573 1 56 GLU H 1 56 GLU QG . . 4.440 3.984 3.419 4.222 . 0 0 "[ . 1 . 2 . 3 ]" 1 574 1 56 GLU H 1 56 GLU HG3 . . 5.000 4.393 3.549 4.701 . 0 0 "[ . 1 . 2 . 3 ]" 1 575 1 56 GLU HA 1 56 GLU HG2 . . 4.000 2.718 2.004 3.441 . 0 0 "[ . 1 . 2 . 3 ]" 1 576 1 56 GLU HA 1 56 GLU QG . . 3.560 2.227 1.973 2.661 . 0 0 "[ . 1 . 2 . 3 ]" 1 577 1 56 GLU HA 1 56 GLU HG3 . . 4.000 2.604 2.000 3.530 . 0 0 "[ . 1 . 2 . 3 ]" 1 578 1 56 GLU HA 1 57 VAL H . . 2.800 2.653 2.203 2.845 0.045 30 0 "[ . 1 . 2 . 3 ]" 1 579 1 57 VAL H 1 57 VAL HB . . 2.800 2.325 2.079 2.737 . 0 0 "[ . 1 . 2 . 3 ]" 1 580 1 57 VAL H 1 57 VAL MG1 . . 4.300 3.655 3.517 3.775 . 0 0 "[ . 1 . 2 . 3 ]" 1 581 1 57 VAL H 1 57 VAL MG2 . . 4.300 2.447 1.905 3.103 . 0 0 "[ . 1 . 2 . 3 ]" 1 582 1 57 VAL H 1 58 LYS H . . 3.300 2.719 1.890 3.432 0.132 5 0 "[ . 1 . 2 . 3 ]" 1 583 1 57 VAL HA 1 57 VAL HB . . 2.800 3.004 2.972 3.025 0.225 3 0 "[ . 1 . 2 . 3 ]" 1 584 1 57 VAL HA 1 58 LYS H . . 3.300 3.406 2.969 3.628 0.328 27 0 "[ . 1 . 2 . 3 ]" 1 585 1 57 VAL HB 1 58 LYS H . . 4.000 3.085 1.880 4.173 0.173 22 0 "[ . 1 . 2 . 3 ]" 1 586 1 57 VAL MG1 1 58 LYS HA . . 7.500 4.433 3.172 5.584 . 0 0 "[ . 1 . 2 . 3 ]" 1 587 1 57 VAL MG1 1 67 ASP HA . . 6.500 5.240 4.972 5.404 . 0 0 "[ . 1 . 2 . 3 ]" 1 588 1 57 VAL MG2 1 58 LYS HA . . 7.500 5.714 5.206 6.041 . 0 0 "[ . 1 . 2 . 3 ]" 1 589 1 57 VAL MG2 1 67 ASP HA . . 6.500 5.096 4.303 5.381 . 0 0 "[ . 1 . 2 . 3 ]" 1 590 1 58 LYS HA 1 58 LYS QD . . 5.000 3.607 2.111 4.400 . 0 0 "[ . 1 . 2 . 3 ]" 1 591 1 58 LYS HA 1 58 LYS HG2 . . 4.000 2.763 1.946 3.815 . 0 0 "[ . 1 . 2 . 3 ]" 1 592 1 58 LYS HA 1 58 LYS QG . . 3.560 2.285 1.924 3.314 . 0 0 "[ . 1 . 2 . 3 ]" 1 593 1 58 LYS HA 1 58 LYS HG3 . . 4.000 2.803 1.978 3.897 . 0 0 "[ . 1 . 2 . 3 ]" 1 594 1 58 LYS HA 1 59 LYS H . . 2.800 2.550 2.232 2.892 0.092 1 0 "[ . 1 . 2 . 3 ]" 1 595 1 59 LYS H 1 59 LYS HA . . 2.800 2.534 2.208 2.923 0.123 11 0 "[ . 1 . 2 . 3 ]" 1 596 1 59 LYS H 1 59 LYS HB2 . . 4.000 3.009 2.016 3.893 . 0 0 "[ . 1 . 2 . 3 ]" 1 597 1 59 LYS H 1 59 LYS QB . . 3.340 2.614 1.997 3.169 . 0 0 "[ . 1 . 2 . 3 ]" 1 598 1 59 LYS H 1 59 LYS HB3 . . 4.000 3.326 2.544 4.019 0.019 12 0 "[ . 1 . 2 . 3 ]" 1 599 1 59 LYS H 1 59 LYS QD . . 4.300 3.151 1.975 3.872 . 0 0 "[ . 1 . 2 . 3 ]" 1 600 1 59 LYS H 1 59 LYS QG . . 5.000 3.207 1.915 4.002 . 0 0 "[ . 1 . 2 . 3 ]" 1 601 1 59 LYS HA 1 59 LYS HB2 . . 2.800 2.722 2.326 2.901 0.101 30 0 "[ . 1 . 2 . 3 ]" 1 602 1 59 LYS HA 1 59 LYS HB3 . . 2.800 2.688 2.220 2.950 0.150 21 0 "[ . 1 . 2 . 3 ]" 1 603 1 59 LYS HA 1 59 LYS QD . . 4.300 3.140 1.915 3.924 . 0 0 "[ . 1 . 2 . 3 ]" 1 604 1 59 LYS QB 1 60 SER H . . 4.780 2.988 1.847 4.038 . 0 0 "[ . 1 . 2 . 3 ]" 1 605 1 60 SER H 1 60 SER HB2 . . 4.000 3.317 2.025 3.996 . 0 0 "[ . 1 . 2 . 3 ]" 1 606 1 60 SER H 1 60 SER HB3 . . 4.000 3.237 2.212 3.994 . 0 0 "[ . 1 . 2 . 3 ]" 1 607 1 60 SER HA 1 60 SER HB2 . . 2.800 2.644 2.304 2.999 0.199 31 0 "[ . 1 . 2 . 3 ]" 1 608 1 60 SER HA 1 60 SER HB3 . . 2.800 2.644 2.279 2.983 0.183 8 0 "[ . 1 . 2 . 3 ]" 1 609 1 61 SER H 1 61 SER HA . . 2.800 2.494 2.173 2.918 0.118 29 0 "[ . 1 . 2 . 3 ]" 1 610 1 61 SER HA 1 62 TRP H . . 2.800 3.007 2.584 3.118 0.318 27 0 "[ . 1 . 2 . 3 ]" 1 611 1 61 SER QB 1 62 TRP H . . 4.300 2.265 1.821 4.004 . 0 0 "[ . 1 . 2 . 3 ]" 1 612 1 61 SER QB 1 62 TRP HE1 . . 6.000 4.752 4.213 5.390 . 0 0 "[ . 1 . 2 . 3 ]" 1 613 1 62 TRP H 1 62 TRP HB2 . . 2.800 2.542 2.410 2.652 . 0 0 "[ . 1 . 2 . 3 ]" 1 614 1 62 TRP H 1 62 TRP HB3 . . 3.300 3.562 3.542 3.667 0.367 17 0 "[ . 1 . 2 . 3 ]" 1 615 1 62 TRP H 1 62 TRP HE1 . . 5.000 4.555 4.312 5.165 0.165 6 0 "[ . 1 . 2 . 3 ]" 1 616 1 62 TRP HA 1 62 TRP HD1 . . 4.000 4.308 4.208 4.408 0.408 14 0 "[ . 1 . 2 . 3 ]" 1 617 1 62 TRP HA 1 62 TRP HE3 . . 2.800 2.950 2.924 2.985 0.185 17 0 "[ . 1 . 2 . 3 ]" 1 618 1 62 TRP HA 1 62 TRP HZ3 . . 5.000 5.105 5.058 5.132 0.132 25 0 "[ . 1 . 2 . 3 ]" 1 619 1 62 TRP HA 1 63 THR H . . 2.800 2.650 2.579 2.813 0.013 6 0 "[ . 1 . 2 . 3 ]" 1 620 1 62 TRP HB2 1 62 TRP HE1 . . 5.000 4.942 4.939 4.945 . 0 0 "[ . 1 . 2 . 3 ]" 1 621 1 62 TRP HB2 1 63 THR H . . 3.300 3.257 2.986 3.349 0.049 12 0 "[ . 1 . 2 . 3 ]" 1 622 1 62 TRP HB3 1 62 TRP HE3 . . 4.000 2.550 2.538 2.568 . 0 0 "[ . 1 . 2 . 3 ]" 1 623 1 62 TRP HB3 1 63 THR H . . 5.000 2.228 1.962 2.365 . 0 0 "[ . 1 . 2 . 3 ]" 1 624 1 62 TRP HD1 1 99 HIS HD2 . . 6.000 4.747 4.346 5.396 . 0 0 "[ . 1 . 2 . 3 ]" 1 625 1 62 TRP HD1 1 99 HIS HE1 . . 3.300 3.319 3.150 3.362 0.062 27 0 "[ . 1 . 2 . 3 ]" 1 626 1 62 TRP HE3 1 63 THR H . . 5.000 3.576 3.217 3.919 . 0 0 "[ . 1 . 2 . 3 ]" 1 627 1 62 TRP HE3 1 66 GLU HA . . 5.000 5.022 4.781 5.114 0.114 18 0 "[ . 1 . 2 . 3 ]" 1 628 1 62 TRP HE3 1 66 GLU HB3 . . 4.000 2.556 2.335 2.740 . 0 0 "[ . 1 . 2 . 3 ]" 1 629 1 62 TRP HH2 1 70 ILE MD . . 4.300 3.283 3.132 3.498 . 0 0 "[ . 1 . 2 . 3 ]" 1 630 1 62 TRP HH2 1 85 ALA HA . . 5.000 5.053 4.896 5.194 0.194 15 0 "[ . 1 . 2 . 3 ]" 1 631 1 62 TRP HH2 1 85 ALA MB . . 5.500 4.291 3.905 4.503 . 0 0 "[ . 1 . 2 . 3 ]" 1 632 1 62 TRP HH2 1 91 ARG HA . . 5.000 4.831 4.176 5.152 0.152 25 0 "[ . 1 . 2 . 3 ]" 1 633 1 62 TRP HH2 1 91 ARG HB2 . . 4.000 3.625 2.865 4.277 0.277 29 0 "[ . 1 . 2 . 3 ]" 1 634 1 62 TRP HH2 1 91 ARG HB3 . . 4.000 2.588 1.987 3.507 . 0 0 "[ . 1 . 2 . 3 ]" 1 635 1 62 TRP HH2 1 91 ARG QD . . 4.880 3.196 2.153 4.010 . 0 0 "[ . 1 . 2 . 3 ]" 1 636 1 62 TRP HH2 1 95 ALA HA . . 5.000 4.542 4.263 4.735 . 0 0 "[ . 1 . 2 . 3 ]" 1 637 1 62 TRP HH2 1 95 ALA MB . . 3.300 2.326 2.061 2.625 . 0 0 "[ . 1 . 2 . 3 ]" 1 638 1 62 TRP HH2 1 96 VAL HA . . 2.800 2.518 2.437 2.624 . 0 0 "[ . 1 . 2 . 3 ]" 1 639 1 62 TRP HH2 1 96 VAL MG1 . . 7.500 3.754 3.591 3.910 . 0 0 "[ . 1 . 2 . 3 ]" 1 640 1 62 TRP HH2 1 96 VAL MG2 . . 4.300 1.790 1.758 1.867 . 0 0 "[ . 1 . 2 . 3 ]" 1 641 1 62 TRP HH2 1 99 HIS HD2 . . 5.500 4.280 3.966 4.558 . 0 0 "[ . 1 . 2 . 3 ]" 1 642 1 62 TRP HZ2 1 70 ILE MD . . 5.500 4.518 4.337 4.699 . 0 0 "[ . 1 . 2 . 3 ]" 1 643 1 62 TRP HZ2 1 91 ARG QD . . 4.880 3.635 2.887 4.443 . 0 0 "[ . 1 . 2 . 3 ]" 1 644 1 62 TRP HZ2 1 95 ALA HA . . 4.000 3.335 3.183 3.536 . 0 0 "[ . 1 . 2 . 3 ]" 1 645 1 62 TRP HZ2 1 95 ALA MB . . 3.800 2.622 2.302 2.965 . 0 0 "[ . 1 . 2 . 3 ]" 1 646 1 62 TRP HZ2 1 96 VAL HA . . 2.800 2.677 2.488 2.834 0.034 28 0 "[ . 1 . 2 . 3 ]" 1 647 1 62 TRP HZ2 1 96 VAL MG2 . . 5.500 3.628 3.540 3.754 . 0 0 "[ . 1 . 2 . 3 ]" 1 648 1 62 TRP HZ3 1 70 ILE MD . . 4.800 2.273 2.004 2.643 . 0 0 "[ . 1 . 2 . 3 ]" 1 649 1 62 TRP HZ3 1 85 ALA HA . . 5.000 4.816 4.536 5.053 0.053 14 0 "[ . 1 . 2 . 3 ]" 1 650 1 62 TRP HZ3 1 91 ARG HA . . 6.000 5.435 4.758 6.023 0.023 23 0 "[ . 1 . 2 . 3 ]" 1 651 1 62 TRP HZ3 1 95 ALA MB . . 5.500 4.184 3.927 4.454 . 0 0 "[ . 1 . 2 . 3 ]" 1 652 1 62 TRP HZ3 1 96 VAL HA . . 4.000 4.173 4.113 4.244 0.244 29 0 "[ . 1 . 2 . 3 ]" 1 653 1 62 TRP HZ3 1 96 VAL MG2 . . 4.800 2.412 2.188 2.548 . 0 0 "[ . 1 . 2 . 3 ]" 1 654 1 62 TRP HZ3 1 99 HIS HD2 . . 5.500 4.016 3.674 4.495 . 0 0 "[ . 1 . 2 . 3 ]" 1 655 1 63 THR H 1 63 THR MG . . 4.800 2.975 2.357 4.026 . 0 0 "[ . 1 . 2 . 3 ]" 1 656 1 63 THR HA 1 63 THR HB . . 2.800 2.576 2.377 3.053 0.253 14 0 "[ . 1 . 2 . 3 ]" 1 657 1 63 THR HA 1 64 GLU H . . 2.800 2.878 2.759 3.206 0.406 14 0 "[ . 1 . 2 . 3 ]" 1 658 1 63 THR HB 1 64 GLU H . . 2.800 2.053 1.871 2.674 . 0 0 "[ . 1 . 2 . 3 ]" 1 659 1 63 THR MG 1 64 GLU H . . 4.300 3.423 1.910 3.761 . 0 0 "[ . 1 . 2 . 3 ]" 1 660 1 64 GLU H 1 64 GLU HA . . 2.800 2.841 2.817 2.891 0.091 14 0 "[ . 1 . 2 . 3 ]" 1 661 1 64 GLU H 1 64 GLU QB . . 3.800 2.142 2.105 2.208 . 0 0 "[ . 1 . 2 . 3 ]" 1 662 1 64 GLU H 1 64 GLU HG2 . . 4.000 3.274 2.893 3.967 . 0 0 "[ . 1 . 2 . 3 ]" 1 663 1 64 GLU H 1 64 GLU QG . . 3.560 2.949 2.809 3.117 . 0 0 "[ . 1 . 2 . 3 ]" 1 664 1 64 GLU H 1 64 GLU HG3 . . 4.000 3.523 2.984 3.868 . 0 0 "[ . 1 . 2 . 3 ]" 1 665 1 64 GLU H 1 65 GLU H . . 2.800 2.958 2.755 3.024 0.224 30 0 "[ . 1 . 2 . 3 ]" 1 666 1 64 GLU HA 1 64 GLU HG2 . . 4.000 2.263 2.044 2.543 . 0 0 "[ . 1 . 2 . 3 ]" 1 667 1 64 GLU HA 1 64 GLU HG3 . . 4.000 3.420 2.745 3.616 . 0 0 "[ . 1 . 2 . 3 ]" 1 668 1 64 GLU HA 1 67 ASP H . . 3.300 3.365 3.319 3.537 0.237 14 0 "[ . 1 . 2 . 3 ]" 1 669 1 64 GLU HA 1 67 ASP HB2 . . 4.000 2.933 2.428 3.181 . 0 0 "[ . 1 . 2 . 3 ]" 1 670 1 64 GLU HA 1 67 ASP HB3 . . 4.000 3.606 3.156 3.890 . 0 0 "[ . 1 . 2 . 3 ]" 1 671 1 64 GLU QB 1 65 GLU HA . . 5.000 3.617 3.591 3.636 . 0 0 "[ . 1 . 2 . 3 ]" 1 672 1 64 GLU QB 1 65 GLU QB . . 4.800 4.051 3.960 4.161 . 0 0 "[ . 1 . 2 . 3 ]" 1 673 1 64 GLU QB 1 65 GLU HG2 . . 3.800 3.469 3.431 3.510 . 0 0 "[ . 1 . 2 . 3 ]" 1 674 1 64 GLU QB 1 65 GLU HG3 . . 3.800 3.502 3.464 3.537 . 0 0 "[ . 1 . 2 . 3 ]" 1 675 1 64 GLU O 1 68 ARG H . . 2.300 2.149 1.882 2.349 0.049 7 0 "[ . 1 . 2 . 3 ]" 1 676 1 64 GLU O 1 68 ARG N . . 3.300 3.060 2.830 3.211 . 0 0 "[ . 1 . 2 . 3 ]" 1 677 1 65 GLU H 1 65 GLU HA . . 2.800 2.674 2.645 2.694 . 0 0 "[ . 1 . 2 . 3 ]" 1 678 1 65 GLU H 1 65 GLU QB . . 3.800 2.588 2.457 2.747 . 0 0 "[ . 1 . 2 . 3 ]" 1 679 1 65 GLU H 1 66 GLU H . . 3.300 2.893 2.817 3.240 . 0 0 "[ . 1 . 2 . 3 ]" 1 680 1 65 GLU HA 1 65 GLU HG2 . . 4.000 2.843 2.273 3.784 . 0 0 "[ . 1 . 2 . 3 ]" 1 681 1 65 GLU HA 1 65 GLU HG3 . . 4.000 3.465 3.428 3.521 . 0 0 "[ . 1 . 2 . 3 ]" 1 682 1 65 GLU HA 1 68 ARG QB . . 4.880 2.806 2.376 3.904 . 0 0 "[ . 1 . 2 . 3 ]" 1 683 1 65 GLU QG 1 69 ILE MD . . 6.380 4.342 3.884 4.644 . 0 0 "[ . 1 . 2 . 3 ]" 1 684 1 65 GLU O 1 69 ILE H . . 2.300 1.877 1.732 2.090 . 0 0 "[ . 1 . 2 . 3 ]" 1 685 1 65 GLU O 1 69 ILE N . . 3.300 2.842 2.669 3.057 . 0 0 "[ . 1 . 2 . 3 ]" 1 686 1 66 GLU H 1 66 GLU HB2 . . 2.800 2.278 2.202 2.378 . 0 0 "[ . 1 . 2 . 3 ]" 1 687 1 66 GLU H 1 66 GLU HB3 . . 4.000 3.513 3.481 3.538 . 0 0 "[ . 1 . 2 . 3 ]" 1 688 1 66 GLU H 1 66 GLU HG2 . . 3.300 3.180 2.776 3.330 0.030 5 0 "[ . 1 . 2 . 3 ]" 1 689 1 66 GLU H 1 66 GLU QG . . 2.930 2.587 2.290 2.761 . 0 0 "[ . 1 . 2 . 3 ]" 1 690 1 66 GLU H 1 66 GLU HG3 . . 3.300 2.771 2.338 3.069 . 0 0 "[ . 1 . 2 . 3 ]" 1 691 1 66 GLU HA 1 69 ILE HB . . 5.000 2.684 2.385 2.929 . 0 0 "[ . 1 . 2 . 3 ]" 1 692 1 66 GLU HA 1 69 ILE MD . . 5.500 2.531 2.019 3.172 . 0 0 "[ . 1 . 2 . 3 ]" 1 693 1 66 GLU HA 1 69 ILE MG . . 5.500 3.882 3.565 4.132 . 0 0 "[ . 1 . 2 . 3 ]" 1 694 1 66 GLU O 1 70 ILE H . . 2.300 2.276 2.009 2.400 0.100 7 0 "[ . 1 . 2 . 3 ]" 1 695 1 66 GLU O 1 70 ILE N . . 3.300 3.213 3.000 3.314 0.014 9 0 "[ . 1 . 2 . 3 ]" 1 696 1 67 ASP H 1 67 ASP HA . . 2.800 2.772 2.736 2.831 0.031 15 0 "[ . 1 . 2 . 3 ]" 1 697 1 67 ASP H 1 67 ASP HB2 . . 2.800 2.132 2.104 2.267 . 0 0 "[ . 1 . 2 . 3 ]" 1 698 1 67 ASP H 1 67 ASP HB3 . . 2.800 2.854 2.727 2.889 0.089 14 0 "[ . 1 . 2 . 3 ]" 1 699 1 67 ASP H 1 68 ARG H . . 2.800 2.702 2.590 2.814 0.014 19 0 "[ . 1 . 2 . 3 ]" 1 700 1 67 ASP HA 1 70 ILE H . . 5.000 4.007 3.711 4.413 . 0 0 "[ . 1 . 2 . 3 ]" 1 701 1 67 ASP HA 1 70 ILE HB . . 4.000 3.322 3.074 3.533 . 0 0 "[ . 1 . 2 . 3 ]" 1 702 1 67 ASP HA 1 70 ILE MD . . 5.500 4.027 3.262 4.556 . 0 0 "[ . 1 . 2 . 3 ]" 1 703 1 67 ASP HA 1 70 ILE MG . . 5.500 4.469 4.184 4.610 . 0 0 "[ . 1 . 2 . 3 ]" 1 704 1 67 ASP HA 1 99 HIS HD2 . . 4.500 4.255 3.896 4.551 0.051 10 0 "[ . 1 . 2 . 3 ]" 1 705 1 67 ASP HA 1 104 ILE MD . . 5.500 3.281 2.601 3.715 . 0 0 "[ . 1 . 2 . 3 ]" 1 706 1 67 ASP QB 1 68 ARG QG . . 7.750 3.166 2.787 3.656 . 0 0 "[ . 1 . 2 . 3 ]" 1 707 1 67 ASP QB 1 104 ILE MD . . 6.960 4.319 3.404 4.983 . 0 0 "[ . 1 . 2 . 3 ]" 1 708 1 67 ASP HB2 1 68 ARG H . . 3.300 3.347 3.235 3.387 0.087 9 0 "[ . 1 . 2 . 3 ]" 1 709 1 67 ASP HB2 1 104 ILE MD . . 7.500 4.776 3.709 5.539 . 0 0 "[ . 1 . 2 . 3 ]" 1 710 1 67 ASP HB3 1 68 ARG H . . 3.300 2.316 2.027 2.499 . 0 0 "[ . 1 . 2 . 3 ]" 1 711 1 67 ASP HB3 1 104 ILE MD . . 7.500 4.936 3.956 5.748 . 0 0 "[ . 1 . 2 . 3 ]" 1 712 1 67 ASP O 1 71 PHE H . . 2.300 1.964 1.702 2.291 . 0 0 "[ . 1 . 2 . 3 ]" 1 713 1 67 ASP O 1 71 PHE N . . 3.300 2.922 2.658 3.258 . 0 0 "[ . 1 . 2 . 3 ]" 1 714 1 68 ARG H 1 68 ARG HA . . 2.800 2.731 2.712 2.764 . 0 0 "[ . 1 . 2 . 3 ]" 1 715 1 68 ARG H 1 68 ARG QB . . 3.460 2.350 2.115 2.512 . 0 0 "[ . 1 . 2 . 3 ]" 1 716 1 68 ARG H 1 68 ARG HG2 . . 3.300 2.583 1.921 3.297 . 0 0 "[ . 1 . 2 . 3 ]" 1 717 1 68 ARG H 1 68 ARG HG3 . . 3.300 3.007 2.360 3.364 0.064 7 0 "[ . 1 . 2 . 3 ]" 1 718 1 68 ARG HA 1 68 ARG HE . . 4.000 3.128 1.940 4.143 0.143 15 0 "[ . 1 . 2 . 3 ]" 1 719 1 68 ARG HA 1 68 ARG HG2 . . 4.000 2.462 2.041 3.625 . 0 0 "[ . 1 . 2 . 3 ]" 1 720 1 68 ARG HA 1 68 ARG HG3 . . 4.000 3.564 3.151 3.891 . 0 0 "[ . 1 . 2 . 3 ]" 1 721 1 68 ARG HA 1 71 PHE HB2 . . 4.000 3.757 3.245 4.106 0.106 11 0 "[ . 1 . 2 . 3 ]" 1 722 1 68 ARG HA 1 71 PHE HB3 . . 4.000 2.354 2.022 2.632 . 0 0 "[ . 1 . 2 . 3 ]" 1 723 1 68 ARG QB 1 68 ARG HE . . 3.560 2.397 1.913 3.153 . 0 0 "[ . 1 . 2 . 3 ]" 1 724 1 68 ARG HB2 1 68 ARG HE . . 4.000 3.734 3.203 4.035 0.035 2 0 "[ . 1 . 2 . 3 ]" 1 725 1 68 ARG HB3 1 68 ARG HE . . 4.000 2.432 1.924 3.293 . 0 0 "[ . 1 . 2 . 3 ]" 1 726 1 68 ARG HD2 1 68 ARG HE . . 2.800 2.810 2.333 2.905 0.105 15 0 "[ . 1 . 2 . 3 ]" 1 727 1 68 ARG HD3 1 68 ARG HE . . 2.800 2.839 2.333 2.897 0.097 9 0 "[ . 1 . 2 . 3 ]" 1 728 1 68 ARG HE 1 68 ARG HG2 . . 4.000 2.857 2.327 4.057 0.057 9 0 "[ . 1 . 2 . 3 ]" 1 729 1 68 ARG HE 1 68 ARG HG3 . . 4.000 3.408 2.523 4.040 0.040 23 0 "[ . 1 . 2 . 3 ]" 1 730 1 68 ARG O 1 72 GLU H . . 2.300 1.862 1.676 2.238 . 0 0 "[ . 1 . 2 . 3 ]" 1 731 1 68 ARG O 1 72 GLU N . . 3.300 2.582 2.447 2.989 . 0 0 "[ . 1 . 2 . 3 ]" 1 732 1 69 ILE H 1 69 ILE HB . . 2.800 2.449 2.284 2.515 . 0 0 "[ . 1 . 2 . 3 ]" 1 733 1 69 ILE H 1 69 ILE HG12 . . 3.300 3.368 3.281 3.424 0.124 15 0 "[ . 1 . 2 . 3 ]" 1 734 1 69 ILE H 1 69 ILE HG13 . . 3.300 2.016 1.922 2.287 . 0 0 "[ . 1 . 2 . 3 ]" 1 735 1 69 ILE H 1 70 ILE H . . 4.000 3.149 2.992 3.309 . 0 0 "[ . 1 . 2 . 3 ]" 1 736 1 69 ILE HA 1 69 ILE MD . . 4.800 3.809 3.733 3.841 . 0 0 "[ . 1 . 2 . 3 ]" 1 737 1 69 ILE HA 1 69 ILE HG12 . . 4.000 2.528 2.348 2.674 . 0 0 "[ . 1 . 2 . 3 ]" 1 738 1 69 ILE HA 1 69 ILE HG13 . . 4.000 2.789 2.680 2.942 . 0 0 "[ . 1 . 2 . 3 ]" 1 739 1 69 ILE HA 1 72 GLU QB . . 5.000 2.815 2.068 4.214 . 0 0 "[ . 1 . 2 . 3 ]" 1 740 1 69 ILE HB 1 70 ILE MD . . 5.500 4.639 4.539 4.733 . 0 0 "[ . 1 . 2 . 3 ]" 1 741 1 69 ILE HB 1 88 LEU QD . . 7.070 2.747 1.901 3.728 . 0 0 "[ . 1 . 2 . 3 ]" 1 742 1 69 ILE MD 1 70 ILE QG . . 6.380 4.386 4.216 4.553 . 0 0 "[ . 1 . 2 . 3 ]" 1 743 1 69 ILE QG 1 70 ILE H . . 5.880 4.141 4.059 4.238 . 0 0 "[ . 1 . 2 . 3 ]" 1 744 1 69 ILE MG 1 70 ILE HA . . 4.500 3.217 2.848 3.554 . 0 0 "[ . 1 . 2 . 3 ]" 1 745 1 69 ILE MG 1 70 ILE MD . . 6.300 4.107 3.900 4.312 . 0 0 "[ . 1 . 2 . 3 ]" 1 746 1 69 ILE MG 1 70 ILE QG . . 5.380 3.056 2.685 3.378 . 0 0 "[ . 1 . 2 . 3 ]" 1 747 1 69 ILE MG 1 73 ALA MB . . 5.800 2.880 2.173 3.427 . 0 0 "[ . 1 . 2 . 3 ]" 1 748 1 69 ILE MG 1 87 LEU HB2 . . 5.500 3.574 2.406 4.647 . 0 0 "[ . 1 . 2 . 3 ]" 1 749 1 69 ILE MG 1 87 LEU QB . . 5.090 2.805 1.799 3.827 . 0 0 "[ . 1 . 2 . 3 ]" 1 750 1 69 ILE MG 1 87 LEU HB3 . . 5.500 2.954 1.858 4.377 . 0 0 "[ . 1 . 2 . 3 ]" 1 751 1 69 ILE O 1 73 ALA H . . 2.300 1.932 1.526 2.354 0.054 26 0 "[ . 1 . 2 . 3 ]" 1 752 1 69 ILE O 1 73 ALA N . . 3.300 2.629 2.432 2.831 . 0 0 "[ . 1 . 2 . 3 ]" 1 753 1 70 ILE H 1 70 ILE HB . . 2.800 2.530 2.506 2.579 . 0 0 "[ . 1 . 2 . 3 ]" 1 754 1 70 ILE H 1 70 ILE MD . . 4.300 3.598 3.452 3.709 . 0 0 "[ . 1 . 2 . 3 ]" 1 755 1 70 ILE H 1 70 ILE HG12 . . 2.800 2.408 1.915 3.064 0.264 2 0 "[ . 1 . 2 . 3 ]" 1 756 1 70 ILE H 1 70 ILE HG13 . . 2.800 2.395 1.815 2.883 0.083 4 0 "[ . 1 . 2 . 3 ]" 1 757 1 70 ILE H 1 70 ILE MG . . 4.800 3.709 3.703 3.718 . 0 0 "[ . 1 . 2 . 3 ]" 1 758 1 70 ILE HA 1 70 ILE MD . . 4.800 3.185 2.602 3.809 . 0 0 "[ . 1 . 2 . 3 ]" 1 759 1 70 ILE HA 1 70 ILE QG . . 3.710 2.492 2.352 2.595 . 0 0 "[ . 1 . 2 . 3 ]" 1 760 1 70 ILE HA 1 73 ALA MB . . 4.300 2.520 1.914 3.014 . 0 0 "[ . 1 . 2 . 3 ]" 1 761 1 70 ILE HA 1 74 HIS H . . 4.000 3.991 3.490 4.102 0.102 19 0 "[ . 1 . 2 . 3 ]" 1 762 1 70 ILE HB 1 71 PHE H . . 2.800 2.317 2.088 2.654 . 0 0 "[ . 1 . 2 . 3 ]" 1 763 1 70 ILE HB 1 104 ILE MD . . 5.500 3.418 3.038 3.858 . 0 0 "[ . 1 . 2 . 3 ]" 1 764 1 70 ILE MD 1 71 PHE H . . 5.500 4.631 4.414 4.756 . 0 0 "[ . 1 . 2 . 3 ]" 1 765 1 70 ILE MD 1 73 ALA MB . . 7.000 4.602 4.297 4.877 . 0 0 "[ . 1 . 2 . 3 ]" 1 766 1 70 ILE MD 1 95 ALA MB . . 7.000 4.775 4.715 4.854 . 0 0 "[ . 1 . 2 . 3 ]" 1 767 1 70 ILE MD 1 96 VAL HA . . 6.500 3.093 2.858 3.414 . 0 0 "[ . 1 . 2 . 3 ]" 1 768 1 70 ILE MD 1 96 VAL MG1 . . 5.800 1.786 1.674 2.279 . 0 0 "[ . 1 . 2 . 3 ]" 1 769 1 70 ILE MD 1 96 VAL MG2 . . 5.800 1.913 1.699 2.092 . 0 0 "[ . 1 . 2 . 3 ]" 1 770 1 70 ILE MD 1 99 HIS HD2 . . 4.800 2.435 1.870 2.924 . 0 0 "[ . 1 . 2 . 3 ]" 1 771 1 70 ILE MD 1 104 ILE MD . . 6.300 3.640 3.101 4.179 . 0 0 "[ . 1 . 2 . 3 ]" 1 772 1 70 ILE MD 1 104 ILE MG . . 8.000 5.027 4.391 5.339 . 0 0 "[ . 1 . 2 . 3 ]" 1 773 1 70 ILE QG 1 71 PHE H . . 5.880 3.858 3.731 4.039 . 0 0 "[ . 1 . 2 . 3 ]" 1 774 1 70 ILE QG 1 72 GLU H . . 6.880 5.073 4.876 5.617 . 0 0 "[ . 1 . 2 . 3 ]" 1 775 1 70 ILE QG 1 73 ALA MB . . 6.880 4.225 3.284 4.828 . 0 0 "[ . 1 . 2 . 3 ]" 1 776 1 70 ILE QG 1 84 ILE MG . . 7.380 3.064 1.839 4.358 . 0 0 "[ . 1 . 2 . 3 ]" 1 777 1 70 ILE QG 1 99 HIS HD2 . . 5.380 3.748 2.839 4.852 . 0 0 "[ . 1 . 2 . 3 ]" 1 778 1 70 ILE MG 1 71 PHE CG . . 7.500 5.838 5.666 6.065 . 0 0 "[ . 1 . 2 . 3 ]" 1 779 1 70 ILE MG 1 71 PHE HA . . 6.500 3.461 3.309 3.646 . 0 0 "[ . 1 . 2 . 3 ]" 1 780 1 70 ILE MG 1 73 ALA MB . . 6.500 3.768 3.064 4.256 . 0 0 "[ . 1 . 2 . 3 ]" 1 781 1 70 ILE MG 1 74 HIS H . . 6.500 4.101 3.670 4.396 . 0 0 "[ . 1 . 2 . 3 ]" 1 782 1 70 ILE MG 1 74 HIS HB3 . . 6.500 4.451 4.086 4.886 . 0 0 "[ . 1 . 2 . 3 ]" 1 783 1 70 ILE MG 1 81 TRP HZ3 . . 4.800 3.032 2.638 3.371 . 0 0 "[ . 1 . 2 . 3 ]" 1 784 1 70 ILE MG 1 84 ILE MD . . 7.000 3.430 2.686 4.534 . 0 0 "[ . 1 . 2 . 3 ]" 1 785 1 70 ILE MG 1 96 VAL MG1 . . 6.300 1.753 1.627 1.867 . 0 0 "[ . 1 . 2 . 3 ]" 1 786 1 70 ILE MG 1 96 VAL MG2 . . 7.000 3.271 2.655 3.540 . 0 0 "[ . 1 . 2 . 3 ]" 1 787 1 70 ILE MG 1 99 HIS HD2 . . 7.000 3.273 2.569 3.859 . 0 0 "[ . 1 . 2 . 3 ]" 1 788 1 70 ILE MG 1 100 TRP HE3 . . 4.800 2.845 2.305 3.433 . 0 0 "[ . 1 . 2 . 3 ]" 1 789 1 70 ILE MG 1 100 TRP HZ3 . . 6.500 2.300 1.936 2.836 . 0 0 "[ . 1 . 2 . 3 ]" 1 790 1 70 ILE MG 1 104 ILE MD . . 6.300 2.944 2.313 3.984 . 0 0 "[ . 1 . 2 . 3 ]" 1 791 1 70 ILE MG 1 104 ILE MG . . 7.000 3.463 2.841 4.004 . 0 0 "[ . 1 . 2 . 3 ]" 1 792 1 71 PHE CG 1 100 TRP HZ3 . . 5.300 5.177 4.472 5.389 0.089 2 0 "[ . 1 . 2 . 3 ]" 1 793 1 71 PHE H 1 71 PHE HA . . 2.800 2.739 2.694 2.808 0.008 1 0 "[ . 1 . 2 . 3 ]" 1 794 1 71 PHE H 1 71 PHE HB2 . . 2.800 2.591 2.457 2.860 0.060 11 0 "[ . 1 . 2 . 3 ]" 1 795 1 71 PHE H 1 71 PHE HB3 . . 2.800 2.147 1.945 2.252 . 0 0 "[ . 1 . 2 . 3 ]" 1 796 1 71 PHE H 1 72 GLU H . . 2.800 2.795 2.630 2.937 0.137 12 0 "[ . 1 . 2 . 3 ]" 1 797 1 71 PHE HA 1 100 TRP HZ3 . . 3.300 2.829 2.179 3.393 0.093 19 0 "[ . 1 . 2 . 3 ]" 1 798 1 71 PHE HA 1 104 ILE MG . . 6.500 3.593 2.636 4.260 . 0 0 "[ . 1 . 2 . 3 ]" 1 799 1 71 PHE QB 1 72 GLU H . . 3.680 2.994 2.318 3.166 . 0 0 "[ . 1 . 2 . 3 ]" 1 800 1 71 PHE QB 1 100 TRP HZ3 . . 4.440 3.382 2.490 3.790 . 0 0 "[ . 1 . 2 . 3 ]" 1 801 1 71 PHE HB2 1 100 TRP HZ3 . . 5.000 3.477 2.525 3.917 . 0 0 "[ . 1 . 2 . 3 ]" 1 802 1 71 PHE HB2 1 104 ILE MG . . 5.500 3.142 2.642 3.446 . 0 0 "[ . 1 . 2 . 3 ]" 1 803 1 71 PHE HB3 1 100 TRP HZ3 . . 5.000 4.652 3.791 5.046 0.046 1 0 "[ . 1 . 2 . 3 ]" 1 804 1 71 PHE HB3 1 104 ILE MG . . 5.500 4.446 3.897 4.611 . 0 0 "[ . 1 . 2 . 3 ]" 1 805 1 71 PHE QE 1 72 GLU QB . . 5.500 4.449 3.285 4.904 . 0 0 "[ . 1 . 2 . 3 ]" 1 806 1 72 GLU H 1 72 GLU HA . . 2.800 2.867 2.727 2.917 0.117 3 0 "[ . 1 . 2 . 3 ]" 1 807 1 72 GLU H 1 72 GLU QB . . 3.800 2.302 2.042 2.977 . 0 0 "[ . 1 . 2 . 3 ]" 1 808 1 72 GLU H 1 72 GLU QG . . 3.800 3.046 2.066 3.592 . 0 0 "[ . 1 . 2 . 3 ]" 1 809 1 72 GLU H 1 73 ALA H . . 2.800 2.448 2.037 2.854 0.054 18 0 "[ . 1 . 2 . 3 ]" 1 810 1 72 GLU H 1 74 HIS H . . 5.000 3.663 3.355 4.264 . 0 0 "[ . 1 . 2 . 3 ]" 1 811 1 72 GLU HA 1 75 LYS QE . . 4.880 3.442 1.778 4.389 . 0 0 "[ . 1 . 2 . 3 ]" 1 812 1 73 ALA H 1 73 ALA HA . . 2.800 2.825 2.700 2.942 0.142 1 0 "[ . 1 . 2 . 3 ]" 1 813 1 73 ALA H 1 74 HIS H . . 3.300 2.410 1.761 2.833 . 0 0 "[ . 1 . 2 . 3 ]" 1 814 1 73 ALA HA 1 76 VAL HB . . 4.000 2.841 1.987 3.291 . 0 0 "[ . 1 . 2 . 3 ]" 1 815 1 73 ALA HA 1 76 VAL MG1 . . 4.800 3.915 3.345 4.071 . 0 0 "[ . 1 . 2 . 3 ]" 1 816 1 73 ALA HA 1 76 VAL MG2 . . 5.500 1.902 1.753 2.404 . 0 0 "[ . 1 . 2 . 3 ]" 1 817 1 73 ALA MB 1 74 HIS H . . 3.800 2.914 2.615 3.190 . 0 0 "[ . 1 . 2 . 3 ]" 1 818 1 73 ALA MB 1 74 HIS HA . . 6.000 3.911 3.827 4.016 . 0 0 "[ . 1 . 2 . 3 ]" 1 819 1 73 ALA MB 1 76 VAL MG1 . . 7.500 4.687 4.224 4.896 . 0 0 "[ . 1 . 2 . 3 ]" 1 820 1 73 ALA MB 1 76 VAL MG2 . . 6.500 3.382 3.142 3.768 . 0 0 "[ . 1 . 2 . 3 ]" 1 821 1 73 ALA MB 1 77 LEU QD . . 8.370 2.400 1.882 3.015 . 0 0 "[ . 1 . 2 . 3 ]" 1 822 1 73 ALA MB 1 84 ILE HA . . 5.000 2.860 2.347 3.486 . 0 0 "[ . 1 . 2 . 3 ]" 1 823 1 73 ALA MB 1 84 ILE HB . . 6.500 4.494 4.025 4.800 . 0 0 "[ . 1 . 2 . 3 ]" 1 824 1 73 ALA MB 1 84 ILE MD . . 5.300 2.022 1.622 3.312 . 0 0 "[ . 1 . 2 . 3 ]" 1 825 1 73 ALA MB 1 84 ILE HG12 . . 5.500 3.368 2.575 3.915 . 0 0 "[ . 1 . 2 . 3 ]" 1 826 1 73 ALA MB 1 84 ILE QG . . 4.730 2.803 1.752 3.506 . 0 0 "[ . 1 . 2 . 3 ]" 1 827 1 73 ALA MB 1 84 ILE HG13 . . 5.500 3.236 1.764 4.164 . 0 0 "[ . 1 . 2 . 3 ]" 1 828 1 73 ALA MB 1 84 ILE MG . . 5.300 3.050 2.430 3.612 . 0 0 "[ . 1 . 2 . 3 ]" 1 829 1 73 ALA MB 1 87 LEU HB2 . . 6.500 4.012 2.944 5.273 . 0 0 "[ . 1 . 2 . 3 ]" 1 830 1 73 ALA MB 1 87 LEU HB3 . . 6.500 4.361 3.149 5.431 . 0 0 "[ . 1 . 2 . 3 ]" 1 831 1 74 HIS H 1 74 HIS HA . . 2.800 2.832 2.772 2.895 0.095 9 0 "[ . 1 . 2 . 3 ]" 1 832 1 74 HIS H 1 74 HIS HB2 . . 2.800 2.301 2.152 2.499 . 0 0 "[ . 1 . 2 . 3 ]" 1 833 1 74 HIS H 1 74 HIS HB3 . . 2.800 2.696 2.530 2.815 0.015 11 0 "[ . 1 . 2 . 3 ]" 1 834 1 74 HIS H 1 75 LYS H . . 2.800 2.496 2.200 2.724 . 0 0 "[ . 1 . 2 . 3 ]" 1 835 1 74 HIS HA 1 74 HIS HD2 . . 3.300 3.022 2.766 3.159 . 0 0 "[ . 1 . 2 . 3 ]" 1 836 1 74 HIS HA 1 74 HIS HE1 . . 6.500 5.452 5.335 5.647 . 0 0 "[ . 1 . 2 . 3 ]" 1 837 1 74 HIS HA 1 77 LEU H . . 5.000 3.442 3.341 3.566 . 0 0 "[ . 1 . 2 . 3 ]" 1 838 1 74 HIS HA 1 78 GLY H . . 2.800 2.834 2.603 2.973 0.173 3 0 "[ . 1 . 2 . 3 ]" 1 839 1 74 HIS HA 1 81 TRP HZ3 . . 5.000 4.750 4.465 4.974 . 0 0 "[ . 1 . 2 . 3 ]" 1 840 1 74 HIS HA 1 84 ILE MD . . 4.800 2.429 1.922 2.907 . 0 0 "[ . 1 . 2 . 3 ]" 1 841 1 74 HIS HB2 1 75 LYS H . . 4.000 4.012 3.690 4.119 0.119 31 0 "[ . 1 . 2 . 3 ]" 1 842 1 74 HIS HB2 1 84 ILE MD . . 7.500 3.087 2.389 3.666 . 0 0 "[ . 1 . 2 . 3 ]" 1 843 1 74 HIS HB3 1 84 ILE MD . . 5.500 4.279 3.698 4.539 . 0 0 "[ . 1 . 2 . 3 ]" 1 844 1 74 HIS HD2 1 77 LEU QD . . 7.570 5.051 4.616 5.164 . 0 0 "[ . 1 . 2 . 3 ]" 1 845 1 74 HIS HD2 1 78 GLY QA . . 5.380 4.409 4.181 4.758 . 0 0 "[ . 1 . 2 . 3 ]" 1 846 1 74 HIS HD2 1 79 ASN HA . . 3.300 2.643 1.996 3.218 . 0 0 "[ . 1 . 2 . 3 ]" 1 847 1 74 HIS HD2 1 81 TRP HB3 . . 6.000 6.077 5.923 6.175 0.175 11 0 "[ . 1 . 2 . 3 ]" 1 848 1 74 HIS HD2 1 81 TRP HD1 . . 7.000 6.749 6.395 7.081 0.081 30 0 "[ . 1 . 2 . 3 ]" 1 849 1 74 HIS HD2 1 81 TRP HH2 . . 3.300 2.852 2.709 2.968 . 0 0 "[ . 1 . 2 . 3 ]" 1 850 1 74 HIS HD2 1 81 TRP HZ3 . . 3.300 2.260 1.988 2.639 . 0 0 "[ . 1 . 2 . 3 ]" 1 851 1 74 HIS HD2 1 84 ILE HG12 . . 4.500 4.046 3.000 4.662 0.162 9 0 "[ . 1 . 2 . 3 ]" 1 852 1 74 HIS HD2 1 84 ILE QG . . 3.850 3.177 2.963 3.327 . 0 0 "[ . 1 . 2 . 3 ]" 1 853 1 74 HIS HD2 1 84 ILE HG13 . . 4.500 3.813 3.188 4.706 0.206 18 0 "[ . 1 . 2 . 3 ]" 1 854 1 74 HIS HD2 1 84 ILE MG . . 7.000 4.236 3.577 4.798 . 0 0 "[ . 1 . 2 . 3 ]" 1 855 1 74 HIS HD2 1 96 VAL MG1 . . 7.000 4.238 3.944 4.647 . 0 0 "[ . 1 . 2 . 3 ]" 1 856 1 74 HIS HD2 1 100 TRP HD1 . . 5.500 5.592 5.474 5.667 0.167 21 0 "[ . 1 . 2 . 3 ]" 1 857 1 74 HIS HD2 1 100 TRP HZ3 . . 6.500 5.791 5.240 6.289 . 0 0 "[ . 1 . 2 . 3 ]" 1 858 1 74 HIS HE1 1 78 GLY QA . . 5.380 4.289 3.784 4.713 . 0 0 "[ . 1 . 2 . 3 ]" 1 859 1 74 HIS HE1 1 81 TRP HH2 . . 5.500 3.572 3.366 3.659 . 0 0 "[ . 1 . 2 . 3 ]" 1 860 1 75 LYS H 1 75 LYS HA . . 2.800 2.919 2.865 2.933 0.133 24 0 "[ . 1 . 2 . 3 ]" 1 861 1 75 LYS H 1 75 LYS QB . . 3.800 2.576 2.320 2.977 . 0 0 "[ . 1 . 2 . 3 ]" 1 862 1 75 LYS H 1 75 LYS QD . . 5.000 3.803 3.517 4.406 . 0 0 "[ . 1 . 2 . 3 ]" 1 863 1 75 LYS H 1 75 LYS HG2 . . 4.000 2.427 1.948 2.907 . 0 0 "[ . 1 . 2 . 3 ]" 1 864 1 75 LYS H 1 75 LYS QG . . 3.340 2.357 1.840 2.848 . 0 0 "[ . 1 . 2 . 3 ]" 1 865 1 75 LYS H 1 75 LYS HG3 . . 4.000 3.410 1.973 4.098 0.098 17 0 "[ . 1 . 2 . 3 ]" 1 866 1 75 LYS H 1 76 VAL H . . 2.800 2.473 2.305 2.633 . 0 0 "[ . 1 . 2 . 3 ]" 1 867 1 75 LYS H 1 77 LEU H . . 4.000 4.073 3.946 4.166 0.166 26 0 "[ . 1 . 2 . 3 ]" 1 868 1 75 LYS HA 1 75 LYS QD . . 5.000 4.317 4.236 4.421 . 0 0 "[ . 1 . 2 . 3 ]" 1 869 1 75 LYS HA 1 75 LYS HG2 . . 4.000 3.699 3.577 3.869 . 0 0 "[ . 1 . 2 . 3 ]" 1 870 1 75 LYS HA 1 75 LYS QG . . 3.560 3.255 3.151 3.324 . 0 0 "[ . 1 . 2 . 3 ]" 1 871 1 75 LYS HA 1 75 LYS HG3 . . 4.000 3.615 3.440 3.751 . 0 0 "[ . 1 . 2 . 3 ]" 1 872 1 75 LYS QB 1 76 VAL H . . 4.300 4.019 3.920 4.080 . 0 0 "[ . 1 . 2 . 3 ]" 1 873 1 75 LYS QB 1 76 VAL MG1 . . 7.500 5.628 5.397 5.824 . 0 0 "[ . 1 . 2 . 3 ]" 1 874 1 75 LYS QB 1 76 VAL MG2 . . 6.500 3.808 3.625 3.975 . 0 0 "[ . 1 . 2 . 3 ]" 1 875 1 75 LYS QG 1 76 VAL MG1 . . 7.380 4.277 3.981 4.884 . 0 0 "[ . 1 . 2 . 3 ]" 1 876 1 76 VAL H 1 76 VAL HA . . 2.800 2.938 2.923 2.941 0.141 15 0 "[ . 1 . 2 . 3 ]" 1 877 1 76 VAL H 1 76 VAL HB . . 2.800 2.786 2.624 2.939 0.139 24 0 "[ . 1 . 2 . 3 ]" 1 878 1 76 VAL H 1 76 VAL MG2 . . 4.300 2.313 1.974 2.614 . 0 0 "[ . 1 . 2 . 3 ]" 1 879 1 76 VAL H 1 77 LEU H . . 2.800 1.870 1.796 2.010 . 0 0 "[ . 1 . 2 . 3 ]" 1 880 1 76 VAL H 1 78 GLY H . . 4.000 3.871 3.355 4.052 0.052 27 0 "[ . 1 . 2 . 3 ]" 1 881 1 76 VAL HA 1 77 LEU H . . 3.300 3.555 3.435 3.620 0.320 12 0 "[ . 1 . 2 . 3 ]" 1 882 1 76 VAL HA 1 78 GLY H . . 6.000 5.913 5.213 6.080 0.080 14 0 "[ . 1 . 2 . 3 ]" 1 883 1 76 VAL HB 1 77 LEU H . . 3.300 2.926 2.533 3.374 0.074 18 0 "[ . 1 . 2 . 3 ]" 1 884 1 76 VAL HB 1 77 LEU QD . . 8.070 2.635 2.084 3.141 . 0 0 "[ . 1 . 2 . 3 ]" 1 885 1 76 VAL HB 1 78 GLY H . . 5.000 5.149 5.009 5.364 0.364 27 0 "[ . 1 . 2 . 3 ]" 1 886 1 76 VAL MG1 1 77 LEU H . . 5.500 4.050 3.722 4.248 . 0 0 "[ . 1 . 2 . 3 ]" 1 887 1 76 VAL MG2 1 77 LEU MD1 . . 7.000 3.612 3.054 4.455 . 0 0 "[ . 1 . 2 . 3 ]" 1 888 1 76 VAL MG2 1 77 LEU QD . . 6.230 3.484 3.022 3.990 . 0 0 "[ . 1 . 2 . 3 ]" 1 889 1 76 VAL MG2 1 77 LEU MD2 . . 7.000 4.797 4.308 4.906 . 0 0 "[ . 1 . 2 . 3 ]" 1 890 1 76 VAL MG2 1 77 LEU HG . . 4.800 4.062 3.961 4.130 . 0 0 "[ . 1 . 2 . 3 ]" 1 891 1 77 LEU H 1 77 LEU HB2 . . 2.800 2.927 2.739 3.026 0.226 30 0 "[ . 1 . 2 . 3 ]" 1 892 1 77 LEU H 1 77 LEU HB3 . . 4.000 3.793 3.667 3.867 . 0 0 "[ . 1 . 2 . 3 ]" 1 893 1 77 LEU H 1 77 LEU HG . . 3.300 2.660 2.332 2.969 . 0 0 "[ . 1 . 2 . 3 ]" 1 894 1 77 LEU H 1 78 GLY H . . 2.800 2.465 1.956 2.654 . 0 0 "[ . 1 . 2 . 3 ]" 1 895 1 77 LEU HA 1 77 LEU HG . . 4.000 2.898 2.823 3.203 . 0 0 "[ . 1 . 2 . 3 ]" 1 896 1 77 LEU HA 1 80 ARG QD . . 6.000 3.950 3.216 5.250 . 0 0 "[ . 1 . 2 . 3 ]" 1 897 1 77 LEU HB2 1 78 GLY H . . 4.000 2.056 1.922 2.566 . 0 0 "[ . 1 . 2 . 3 ]" 1 898 1 77 LEU HB3 1 78 GLY H . . 5.000 3.516 3.368 3.884 . 0 0 "[ . 1 . 2 . 3 ]" 1 899 1 77 LEU HB3 1 80 ARG H . . 5.000 4.374 3.429 5.020 0.020 9 0 "[ . 1 . 2 . 3 ]" 1 900 1 77 LEU HB3 1 80 ARG QD . . 5.000 2.240 1.963 3.130 . 0 0 "[ . 1 . 2 . 3 ]" 1 901 1 77 LEU HB3 1 80 ARG HE . . 5.000 3.140 1.870 4.445 . 0 0 "[ . 1 . 2 . 3 ]" 1 902 1 77 LEU QD 1 78 GLY H . . 8.070 2.864 2.532 3.770 . 0 0 "[ . 1 . 2 . 3 ]" 1 903 1 77 LEU QD 1 80 ARG H . . 8.070 3.797 2.975 4.524 . 0 0 "[ . 1 . 2 . 3 ]" 1 904 1 77 LEU QD 1 80 ARG QD . . 8.070 2.752 1.767 3.453 . 0 0 "[ . 1 . 2 . 3 ]" 1 905 1 77 LEU QD 1 80 ARG HE . . 8.070 3.126 2.271 3.981 . 0 0 "[ . 1 . 2 . 3 ]" 1 906 1 77 LEU QD 1 83 GLU QB . . 6.840 2.481 1.933 3.204 . 0 0 "[ . 1 . 2 . 3 ]" 1 907 1 77 LEU QD 1 84 ILE HA . . 7.070 3.378 2.623 3.850 . 0 0 "[ . 1 . 2 . 3 ]" 1 908 1 77 LEU QD 1 84 ILE MG . . 8.570 4.349 3.968 4.644 . 0 0 "[ . 1 . 2 . 3 ]" 1 909 1 77 LEU MD1 1 83 GLU QB . . 7.500 2.833 1.959 3.711 . 0 0 "[ . 1 . 2 . 3 ]" 1 910 1 77 LEU MD1 1 83 GLU QG . . 6.500 3.546 1.693 4.693 . 0 0 "[ . 1 . 2 . 3 ]" 1 911 1 77 LEU MD1 1 84 ILE MD . . 7.000 2.023 1.695 2.507 . 0 0 "[ . 1 . 2 . 3 ]" 1 912 1 77 LEU MD2 1 83 GLU QB . . 7.500 2.869 2.226 3.826 . 0 0 "[ . 1 . 2 . 3 ]" 1 913 1 77 LEU MD2 1 83 GLU QG . . 6.500 3.030 1.849 4.396 . 0 0 "[ . 1 . 2 . 3 ]" 1 914 1 77 LEU MD2 1 84 ILE MD . . 7.000 4.180 3.608 4.700 . 0 0 "[ . 1 . 2 . 3 ]" 1 915 1 77 LEU HG 1 78 GLY H . . 5.000 4.071 3.699 4.204 . 0 0 "[ . 1 . 2 . 3 ]" 1 916 1 78 GLY H 1 78 GLY HA2 . . 2.800 2.629 2.334 2.749 . 0 0 "[ . 1 . 2 . 3 ]" 1 917 1 78 GLY H 1 78 GLY HA3 . . 2.800 2.915 2.856 2.959 0.159 25 0 "[ . 1 . 2 . 3 ]" 1 918 1 78 GLY H 1 79 ASN H . . 4.000 3.828 2.874 4.244 0.244 26 0 "[ . 1 . 2 . 3 ]" 1 919 1 78 GLY H 1 84 ILE MD . . 6.500 3.351 2.392 4.163 . 0 0 "[ . 1 . 2 . 3 ]" 1 920 1 78 GLY QA 1 79 ASN H . . 3.130 2.234 2.169 2.644 . 0 0 "[ . 1 . 2 . 3 ]" 1 921 1 79 ASN H 1 79 ASN QB . . 3.680 3.031 2.942 3.309 . 0 0 "[ . 1 . 2 . 3 ]" 1 922 1 79 ASN H 1 80 ARG H . . 3.300 2.664 1.805 2.945 . 0 0 "[ . 1 . 2 . 3 ]" 1 923 1 79 ASN HA 1 80 ARG H . . 3.000 3.079 2.977 3.144 0.144 22 0 "[ . 1 . 2 . 3 ]" 1 924 1 79 ASN HA 1 81 TRP HD1 . . 5.500 5.142 4.853 5.324 . 0 0 "[ . 1 . 2 . 3 ]" 1 925 1 79 ASN HA 1 81 TRP HE1 . . 4.000 4.077 3.683 4.319 0.319 15 0 "[ . 1 . 2 . 3 ]" 1 926 1 79 ASN HA 1 81 TRP HH2 . . 4.000 3.616 3.287 3.842 . 0 0 "[ . 1 . 2 . 3 ]" 1 927 1 79 ASN HA 1 81 TRP HZ3 . . 4.000 4.126 3.839 4.298 0.298 15 0 "[ . 1 . 2 . 3 ]" 1 928 1 79 ASN QB 1 81 TRP HD1 . . 5.380 3.886 3.803 4.040 . 0 0 "[ . 1 . 2 . 3 ]" 1 929 1 79 ASN HB2 1 79 ASN HD22 . . 4.000 3.817 3.446 4.093 0.093 24 0 "[ . 1 . 2 . 3 ]" 1 930 1 79 ASN HB2 1 81 TRP HE1 . . 2.800 2.956 2.901 3.076 0.276 18 0 "[ . 1 . 2 . 3 ]" 1 931 1 79 ASN HB3 1 79 ASN HD22 . . 4.000 3.622 3.445 4.035 0.035 19 0 "[ . 1 . 2 . 3 ]" 1 932 1 79 ASN HB3 1 81 TRP HE1 . . 2.800 2.947 2.857 3.097 0.297 18 0 "[ . 1 . 2 . 3 ]" 1 933 1 80 ARG H 1 80 ARG HA . . 2.800 2.807 2.793 2.846 0.046 32 0 "[ . 1 . 2 . 3 ]" 1 934 1 80 ARG H 1 80 ARG HB2 . . 3.300 2.220 2.046 3.558 0.258 9 0 "[ . 1 . 2 . 3 ]" 1 935 1 80 ARG H 1 80 ARG QB . . 2.930 2.108 2.026 2.735 . 0 0 "[ . 1 . 2 . 3 ]" 1 936 1 80 ARG H 1 80 ARG HB3 . . 3.300 3.222 2.427 3.417 0.117 21 0 "[ . 1 . 2 . 3 ]" 1 937 1 80 ARG H 1 80 ARG HG2 . . 4.000 4.130 1.797 4.492 0.492 32 0 "[ . 1 . 2 . 3 ]" 1 938 1 80 ARG H 1 80 ARG HG3 . . 4.000 3.711 2.683 4.065 0.065 19 0 "[ . 1 . 2 . 3 ]" 1 939 1 80 ARG H 1 81 TRP H . . 4.000 3.592 3.389 3.717 . 0 0 "[ . 1 . 2 . 3 ]" 1 940 1 80 ARG HA 1 80 ARG QD . . 5.000 3.471 2.732 4.513 . 0 0 "[ . 1 . 2 . 3 ]" 1 941 1 80 ARG HA 1 80 ARG HG2 . . 4.000 3.053 2.114 3.819 . 0 0 "[ . 1 . 2 . 3 ]" 1 942 1 80 ARG HA 1 80 ARG QG . . 3.560 2.162 1.984 3.354 . 0 0 "[ . 1 . 2 . 3 ]" 1 943 1 80 ARG HA 1 80 ARG HG3 . . 4.000 2.419 2.002 4.205 0.205 22 0 "[ . 1 . 2 . 3 ]" 1 944 1 80 ARG QB 1 80 ARG HE . . 4.140 3.591 3.139 3.797 . 0 0 "[ . 1 . 2 . 3 ]" 1 945 1 80 ARG QB 1 82 ALA H . . 5.880 4.160 3.837 4.400 . 0 0 "[ . 1 . 2 . 3 ]" 1 946 1 80 ARG QB 1 83 GLU QG . . 6.880 2.363 1.782 3.826 . 0 0 "[ . 1 . 2 . 3 ]" 1 947 1 80 ARG HB2 1 80 ARG HE . . 5.000 3.956 3.494 4.212 . 0 0 "[ . 1 . 2 . 3 ]" 1 948 1 80 ARG HB3 1 80 ARG HE . . 5.000 4.146 3.303 4.464 . 0 0 "[ . 1 . 2 . 3 ]" 1 949 1 80 ARG QD 1 81 TRP H . . 6.000 5.372 4.901 5.646 . 0 0 "[ . 1 . 2 . 3 ]" 1 950 1 80 ARG QD 1 83 GLU QB . . 6.000 3.638 1.743 4.664 . 0 0 "[ . 1 . 2 . 3 ]" 1 951 1 80 ARG QD 1 83 GLU QG . . 6.000 3.280 1.769 4.367 . 0 0 "[ . 1 . 2 . 3 ]" 1 952 1 80 ARG HE 1 80 ARG HG2 . . 4.000 2.761 2.067 3.952 . 0 0 "[ . 1 . 2 . 3 ]" 1 953 1 80 ARG HE 1 80 ARG QG . . 3.560 2.404 2.043 2.878 . 0 0 "[ . 1 . 2 . 3 ]" 1 954 1 80 ARG HE 1 80 ARG HG3 . . 4.000 3.155 2.122 3.896 . 0 0 "[ . 1 . 2 . 3 ]" 1 955 1 80 ARG HE 1 83 GLU QB . . 7.000 4.492 2.853 5.143 . 0 0 "[ . 1 . 2 . 3 ]" 1 956 1 80 ARG HE 1 83 GLU QG . . 5.000 3.659 1.937 4.403 . 0 0 "[ . 1 . 2 . 3 ]" 1 957 1 80 ARG QG 1 81 TRP H . . 4.880 4.393 3.886 4.570 . 0 0 "[ . 1 . 2 . 3 ]" 1 958 1 80 ARG QG 1 83 GLU H . . 4.140 3.728 2.722 3.910 . 0 0 "[ . 1 . 2 . 3 ]" 1 959 1 80 ARG QG 1 83 GLU QG . . 6.880 2.642 1.830 3.705 . 0 0 "[ . 1 . 2 . 3 ]" 1 960 1 80 ARG HG2 1 83 GLU H . . 5.000 4.123 3.532 4.982 . 0 0 "[ . 1 . 2 . 3 ]" 1 961 1 80 ARG HG3 1 83 GLU H . . 5.000 4.483 2.792 5.060 0.060 24 0 "[ . 1 . 2 . 3 ]" 1 962 1 80 ARG O 1 84 ILE H . . 2.300 1.717 1.498 2.160 . 0 0 "[ . 1 . 2 . 3 ]" 1 963 1 80 ARG O 1 84 ILE N . . 3.300 2.591 2.334 3.069 . 0 0 "[ . 1 . 2 . 3 ]" 1 964 1 81 TRP H 1 81 TRP HA . . 2.800 2.733 2.674 2.759 . 0 0 "[ . 1 . 2 . 3 ]" 1 965 1 81 TRP H 1 81 TRP HB2 . . 4.000 2.852 2.801 2.924 . 0 0 "[ . 1 . 2 . 3 ]" 1 966 1 81 TRP H 1 81 TRP HD1 . . 3.300 3.106 3.007 3.218 . 0 0 "[ . 1 . 2 . 3 ]" 1 967 1 81 TRP H 1 82 ALA H . . 2.800 2.751 2.694 2.875 0.075 26 0 "[ . 1 . 2 . 3 ]" 1 968 1 81 TRP H 1 83 GLU H . . 5.000 4.039 3.917 4.185 . 0 0 "[ . 1 . 2 . 3 ]" 1 969 1 81 TRP HA 1 81 TRP HE1 . . 6.000 6.070 6.029 6.131 0.131 32 0 "[ . 1 . 2 . 3 ]" 1 970 1 81 TRP HA 1 81 TRP HE3 . . 5.000 2.339 2.257 2.438 . 0 0 "[ . 1 . 2 . 3 ]" 1 971 1 81 TRP HA 1 81 TRP HZ3 . . 5.000 4.676 4.602 4.751 . 0 0 "[ . 1 . 2 . 3 ]" 1 972 1 81 TRP HA 1 83 GLU H . . 4.000 3.653 3.361 3.930 . 0 0 "[ . 1 . 2 . 3 ]" 1 973 1 81 TRP HA 1 84 ILE HB . . 4.000 1.919 1.806 2.013 . 0 0 "[ . 1 . 2 . 3 ]" 1 974 1 81 TRP HA 1 84 ILE MD . . 5.500 3.756 3.032 4.128 . 0 0 "[ . 1 . 2 . 3 ]" 1 975 1 81 TRP HA 1 84 ILE MG . . 5.500 2.958 1.934 3.541 . 0 0 "[ . 1 . 2 . 3 ]" 1 976 1 81 TRP HA 1 96 VAL MG1 . . 5.500 3.192 2.635 3.645 . 0 0 "[ . 1 . 2 . 3 ]" 1 977 1 81 TRP HB2 1 81 TRP HE1 . . 5.000 4.910 4.908 4.912 . 0 0 "[ . 1 . 2 . 3 ]" 1 978 1 81 TRP HB2 1 81 TRP HE3 . . 4.000 4.164 4.157 4.168 0.168 17 0 "[ . 1 . 2 . 3 ]" 1 979 1 81 TRP HB2 1 82 ALA H . . 2.800 2.888 2.845 2.944 0.144 5 0 "[ . 1 . 2 . 3 ]" 1 980 1 81 TRP HB2 1 93 ASP HA . . 5.000 2.963 2.630 3.192 . 0 0 "[ . 1 . 2 . 3 ]" 1 981 1 81 TRP HB2 1 93 ASP QB . . 5.000 2.172 1.939 2.714 . 0 0 "[ . 1 . 2 . 3 ]" 1 982 1 81 TRP HB3 1 81 TRP HE3 . . 4.000 2.862 2.800 2.908 . 0 0 "[ . 1 . 2 . 3 ]" 1 983 1 81 TRP HB3 1 81 TRP HZ3 . . 5.000 5.211 5.159 5.250 0.250 32 0 "[ . 1 . 2 . 3 ]" 1 984 1 81 TRP HB3 1 82 ALA H . . 4.000 4.120 4.084 4.159 0.159 18 0 "[ . 1 . 2 . 3 ]" 1 985 1 81 TRP HB3 1 93 ASP HA . . 5.000 2.658 2.284 3.006 . 0 0 "[ . 1 . 2 . 3 ]" 1 986 1 81 TRP HB3 1 93 ASP QB . . 6.000 3.183 2.862 3.711 . 0 0 "[ . 1 . 2 . 3 ]" 1 987 1 81 TRP HD1 1 82 ALA H . . 4.500 4.292 4.151 4.421 . 0 0 "[ . 1 . 2 . 3 ]" 1 988 1 81 TRP HD1 1 93 ASP HA . . 5.500 5.405 5.034 5.595 0.095 15 0 "[ . 1 . 2 . 3 ]" 1 989 1 81 TRP HD1 1 93 ASP QB . . 4.800 3.798 3.248 4.156 . 0 0 "[ . 1 . 2 . 3 ]" 1 990 1 81 TRP HD1 1 96 VAL HB . . 6.500 5.964 5.708 6.203 . 0 0 "[ . 1 . 2 . 3 ]" 1 991 1 81 TRP HD1 1 97 LYS HB2 . . 3.800 2.501 2.371 2.654 . 0 0 "[ . 1 . 2 . 3 ]" 1 992 1 81 TRP HD1 1 97 LYS HB3 . . 3.800 3.999 3.895 4.058 0.258 23 0 "[ . 1 . 2 . 3 ]" 1 993 1 81 TRP HD1 1 97 LYS HD2 . . 3.300 3.338 3.234 3.390 0.090 31 0 "[ . 1 . 2 . 3 ]" 1 994 1 81 TRP HD1 1 97 LYS HD3 . . 3.300 1.967 1.954 1.985 . 0 0 "[ . 1 . 2 . 3 ]" 1 995 1 81 TRP HD1 1 97 LYS QE . . 4.200 3.775 3.735 3.830 . 0 0 "[ . 1 . 2 . 3 ]" 1 996 1 81 TRP HD1 1 97 LYS HG2 . . 4.500 4.397 4.179 4.529 0.029 4 0 "[ . 1 . 2 . 3 ]" 1 997 1 81 TRP HD1 1 97 LYS QG . . 4.070 3.139 2.806 3.302 . 0 0 "[ . 1 . 2 . 3 ]" 1 998 1 81 TRP HD1 1 97 LYS HG3 . . 4.500 3.214 2.852 3.395 . 0 0 "[ . 1 . 2 . 3 ]" 1 999 1 81 TRP HE1 1 97 LYS HD2 . . 4.000 3.028 2.796 3.543 . 0 0 "[ . 1 . 2 . 3 ]" 1 1000 1 81 TRP HE1 1 97 LYS QD . . 3.560 2.720 2.525 3.158 . 0 0 "[ . 1 . 2 . 3 ]" 1 1001 1 81 TRP HE1 1 97 LYS HD3 . . 4.000 3.081 2.871 3.547 . 0 0 "[ . 1 . 2 . 3 ]" 1 1002 1 81 TRP HE1 1 97 LYS HG2 . . 4.000 3.941 3.841 4.009 0.009 20 0 "[ . 1 . 2 . 3 ]" 1 1003 1 81 TRP HE1 1 97 LYS QG . . 3.560 2.276 2.199 2.342 . 0 0 "[ . 1 . 2 . 3 ]" 1 1004 1 81 TRP HE1 1 97 LYS HG3 . . 4.000 2.290 2.212 2.358 . 0 0 "[ . 1 . 2 . 3 ]" 1 1005 1 81 TRP HE3 1 84 ILE HB . . 4.000 2.945 2.523 3.136 . 0 0 "[ . 1 . 2 . 3 ]" 1 1006 1 81 TRP HE3 1 84 ILE MG . . 4.000 2.619 1.796 3.208 . 0 0 "[ . 1 . 2 . 3 ]" 1 1007 1 81 TRP HE3 1 96 VAL MG1 . . 4.000 1.879 1.739 2.018 . 0 0 "[ . 1 . 2 . 3 ]" 1 1008 1 81 TRP HH2 1 84 ILE MD . . 6.500 5.222 4.734 5.316 . 0 0 "[ . 1 . 2 . 3 ]" 1 1009 1 81 TRP HH2 1 84 ILE MG . . 7.500 5.541 4.839 5.901 . 0 0 "[ . 1 . 2 . 3 ]" 1 1010 1 81 TRP HH2 1 96 VAL MG1 . . 6.500 4.497 4.185 4.748 . 0 0 "[ . 1 . 2 . 3 ]" 1 1011 1 81 TRP HH2 1 100 TRP HA . . 5.000 4.721 4.596 4.976 . 0 0 "[ . 1 . 2 . 3 ]" 1 1012 1 81 TRP HH2 1 100 TRP HD1 . . 3.300 2.832 2.701 2.947 . 0 0 "[ . 1 . 2 . 3 ]" 1 1013 1 81 TRP HH2 1 100 TRP HE1 . . 4.000 3.096 2.873 3.316 . 0 0 "[ . 1 . 2 . 3 ]" 1 1014 1 81 TRP HH2 1 100 TRP HZ3 . . 7.000 5.311 5.039 5.632 . 0 0 "[ . 1 . 2 . 3 ]" 1 1015 1 81 TRP HZ3 1 84 ILE HB . . 5.000 4.804 4.424 5.039 0.039 20 0 "[ . 1 . 2 . 3 ]" 1 1016 1 81 TRP HZ3 1 84 ILE QG . . 4.180 3.422 3.350 3.520 . 0 0 "[ . 1 . 2 . 3 ]" 1 1017 1 81 TRP HZ3 1 84 ILE MG . . 5.500 3.422 2.697 3.783 . 0 0 "[ . 1 . 2 . 3 ]" 1 1018 1 81 TRP HZ3 1 96 VAL HB . . 5.000 4.963 4.504 5.136 0.136 31 0 "[ . 1 . 2 . 3 ]" 1 1019 1 81 TRP HZ3 1 100 TRP HA . . 5.000 4.967 4.742 5.103 0.103 18 0 "[ . 1 . 2 . 3 ]" 1 1020 1 81 TRP HZ3 1 100 TRP HB2 . . 4.000 3.591 3.346 3.763 . 0 0 "[ . 1 . 2 . 3 ]" 1 1021 1 81 TRP HZ3 1 100 TRP HD1 . . 5.000 5.049 4.842 5.136 0.136 32 0 "[ . 1 . 2 . 3 ]" 1 1022 1 81 TRP O 1 85 ALA H . . 2.300 1.950 1.774 2.128 . 0 0 "[ . 1 . 2 . 3 ]" 1 1023 1 81 TRP O 1 85 ALA N . . 3.300 2.936 2.767 3.115 . 0 0 "[ . 1 . 2 . 3 ]" 1 1024 1 82 ALA H 1 82 ALA HA . . 2.800 2.771 2.711 2.805 0.005 4 0 "[ . 1 . 2 . 3 ]" 1 1025 1 82 ALA H 1 83 GLU H . . 2.800 2.677 2.581 2.811 0.011 26 0 "[ . 1 . 2 . 3 ]" 1 1026 1 82 ALA HA 1 85 ALA MB . . 4.800 3.786 3.607 3.978 . 0 0 "[ . 1 . 2 . 3 ]" 1 1027 1 82 ALA HA 1 93 ASP HA . . 4.000 3.697 3.222 4.019 0.019 9 0 "[ . 1 . 2 . 3 ]" 1 1028 1 82 ALA HA 1 93 ASP QB . . 3.800 2.061 1.958 2.609 . 0 0 "[ . 1 . 2 . 3 ]" 1 1029 1 82 ALA MB 1 83 GLU H . . 4.300 2.993 2.826 3.140 . 0 0 "[ . 1 . 2 . 3 ]" 1 1030 1 82 ALA MB 1 83 GLU QG . . 6.500 3.334 2.523 4.863 . 0 0 "[ . 1 . 2 . 3 ]" 1 1031 1 82 ALA MB 1 93 ASP QB . . 5.300 3.027 2.657 3.420 . 0 0 "[ . 1 . 2 . 3 ]" 1 1032 1 83 GLU H 1 83 GLU HA . . 2.800 2.910 2.891 2.919 0.119 18 0 "[ . 1 . 2 . 3 ]" 1 1033 1 83 GLU H 1 83 GLU QB . . 3.800 2.533 2.187 2.801 . 0 0 "[ . 1 . 2 . 3 ]" 1 1034 1 83 GLU H 1 83 GLU QG . . 3.800 2.580 2.093 3.455 . 0 0 "[ . 1 . 2 . 3 ]" 1 1035 1 83 GLU H 1 84 ILE H . . 2.800 2.047 1.901 2.205 . 0 0 "[ . 1 . 2 . 3 ]" 1 1036 1 83 GLU H 1 85 ALA H . . 4.000 3.850 3.386 4.073 0.073 17 0 "[ . 1 . 2 . 3 ]" 1 1037 1 83 GLU HA 1 86 LYS QD . . 4.880 3.260 2.016 4.346 . 0 0 "[ . 1 . 2 . 3 ]" 1 1038 1 84 ILE H 1 84 ILE HB . . 4.000 2.297 1.977 2.521 . 0 0 "[ . 1 . 2 . 3 ]" 1 1039 1 84 ILE H 1 84 ILE QG . . 4.880 2.626 1.816 3.949 . 0 0 "[ . 1 . 2 . 3 ]" 1 1040 1 84 ILE H 1 85 ALA H . . 2.800 2.767 2.360 2.929 0.129 24 0 "[ . 1 . 2 . 3 ]" 1 1041 1 84 ILE HA 1 87 LEU QB . . 5.880 3.448 2.579 4.750 . 0 0 "[ . 1 . 2 . 3 ]" 1 1042 1 84 ILE MD 1 96 VAL MG1 . . 7.000 3.642 3.127 4.360 . 0 0 "[ . 1 . 2 . 3 ]" 1 1043 1 84 ILE MG 1 85 ALA H . . 4.800 3.045 2.150 3.581 . 0 0 "[ . 1 . 2 . 3 ]" 1 1044 1 84 ILE MG 1 85 ALA HA . . 6.500 3.347 2.844 3.651 . 0 0 "[ . 1 . 2 . 3 ]" 1 1045 1 84 ILE MG 1 96 VAL MG1 . . 5.800 1.703 1.621 1.793 . 0 0 "[ . 1 . 2 . 3 ]" 1 1046 1 84 ILE MG 1 96 VAL MG2 . . 7.000 2.073 1.894 2.573 . 0 0 "[ . 1 . 2 . 3 ]" 1 1047 1 85 ALA H 1 85 ALA HA . . 2.800 2.826 2.776 2.893 0.093 26 0 "[ . 1 . 2 . 3 ]" 1 1048 1 85 ALA H 1 86 LYS H . . 2.800 2.552 2.331 2.704 . 0 0 "[ . 1 . 2 . 3 ]" 1 1049 1 85 ALA HA 1 88 LEU QD . . 6.370 3.112 1.995 4.334 . 0 0 "[ . 1 . 2 . 3 ]" 1 1050 1 85 ALA HA 1 96 VAL MG1 . . 6.500 4.480 3.765 4.952 . 0 0 "[ . 1 . 2 . 3 ]" 1 1051 1 85 ALA HA 1 96 VAL MG2 . . 4.800 2.603 2.165 2.929 . 0 0 "[ . 1 . 2 . 3 ]" 1 1052 1 85 ALA MB 1 86 LYS HB2 . . 5.500 4.545 4.240 4.900 . 0 0 "[ . 1 . 2 . 3 ]" 1 1053 1 85 ALA MB 1 86 LYS HB3 . . 7.500 5.406 5.261 5.701 . 0 0 "[ . 1 . 2 . 3 ]" 1 1054 1 85 ALA MB 1 88 LEU QD . . 8.570 4.149 2.873 5.123 . 0 0 "[ . 1 . 2 . 3 ]" 1 1055 1 85 ALA MB 1 92 THR HA . . 4.800 2.601 1.919 3.574 . 0 0 "[ . 1 . 2 . 3 ]" 1 1056 1 85 ALA MB 1 92 THR MG . . 6.300 4.042 3.528 4.410 . 0 0 "[ . 1 . 2 . 3 ]" 1 1057 1 85 ALA MB 1 93 ASP HA . . 4.300 2.652 2.072 3.280 . 0 0 "[ . 1 . 2 . 3 ]" 1 1058 1 85 ALA MB 1 93 ASP QB . . 6.000 3.644 3.178 4.271 . 0 0 "[ . 1 . 2 . 3 ]" 1 1059 1 85 ALA MB 1 96 VAL HB . . 5.500 3.607 2.842 4.054 . 0 0 "[ . 1 . 2 . 3 ]" 1 1060 1 85 ALA MB 1 96 VAL MG1 . . 7.000 4.224 3.693 4.539 . 0 0 "[ . 1 . 2 . 3 ]" 1 1061 1 85 ALA MB 1 96 VAL MG2 . . 5.800 2.484 2.021 2.783 . 0 0 "[ . 1 . 2 . 3 ]" 1 1062 1 85 ALA O 1 88 LEU H . . 2.300 2.011 1.717 2.436 0.136 26 0 "[ . 1 . 2 . 3 ]" 1 1063 1 85 ALA O 1 88 LEU N . . 3.300 2.753 2.475 3.338 0.038 2 0 "[ . 1 . 2 . 3 ]" 1 1064 1 86 LYS H 1 86 LYS HB2 . . 3.300 2.218 2.124 2.532 . 0 0 "[ . 1 . 2 . 3 ]" 1 1065 1 86 LYS H 1 86 LYS HB3 . . 4.000 3.479 3.428 3.539 . 0 0 "[ . 1 . 2 . 3 ]" 1 1066 1 86 LYS H 1 86 LYS QG . . 4.880 2.620 1.932 2.921 . 0 0 "[ . 1 . 2 . 3 ]" 1 1067 1 86 LYS H 1 87 LEU H . . 4.000 3.017 2.578 3.962 . 0 0 "[ . 1 . 2 . 3 ]" 1 1068 1 86 LYS HA 1 86 LYS HB2 . . 2.800 2.997 2.976 3.034 0.234 19 0 "[ . 1 . 2 . 3 ]" 1 1069 1 86 LYS HA 1 86 LYS QD . . 4.880 3.587 2.205 4.060 . 0 0 "[ . 1 . 2 . 3 ]" 1 1070 1 86 LYS HA 1 86 LYS HG2 . . 4.000 2.242 2.025 2.718 . 0 0 "[ . 1 . 2 . 3 ]" 1 1071 1 86 LYS HA 1 86 LYS HG3 . . 4.000 3.018 2.295 3.632 . 0 0 "[ . 1 . 2 . 3 ]" 1 1072 1 86 LYS HB2 1 86 LYS QD . . 3.510 2.689 2.088 3.410 . 0 0 "[ . 1 . 2 . 3 ]" 1 1073 1 86 LYS HB3 1 86 LYS QD . . 3.510 2.288 1.982 2.836 . 0 0 "[ . 1 . 2 . 3 ]" 1 1074 1 87 LEU H 1 87 LEU HB2 . . 4.000 2.410 2.046 3.747 . 0 0 "[ . 1 . 2 . 3 ]" 1 1075 1 87 LEU H 1 87 LEU HB3 . . 4.000 3.420 2.103 3.725 . 0 0 "[ . 1 . 2 . 3 ]" 1 1076 1 87 LEU H 1 87 LEU MD2 . . 5.500 4.169 2.548 4.638 . 0 0 "[ . 1 . 2 . 3 ]" 1 1077 1 87 LEU H 1 87 LEU HG . . 4.000 3.571 2.432 4.132 0.132 3 0 "[ . 1 . 2 . 3 ]" 1 1078 1 87 LEU H 1 88 LEU H . . 2.800 2.295 1.722 2.622 . 0 0 "[ . 1 . 2 . 3 ]" 1 1079 1 87 LEU HA 1 87 LEU MD2 . . 4.800 2.826 1.966 4.129 . 0 0 "[ . 1 . 2 . 3 ]" 1 1080 1 87 LEU QB 1 88 LEU H . . 5.450 2.987 2.468 3.802 . 0 0 "[ . 1 . 2 . 3 ]" 1 1081 1 87 LEU HB2 1 88 LEU H . . 6.000 3.251 2.519 4.628 . 0 0 "[ . 1 . 2 . 3 ]" 1 1082 1 87 LEU HB3 1 88 LEU H . . 6.000 3.623 2.689 4.321 . 0 0 "[ . 1 . 2 . 3 ]" 1 1083 1 87 LEU MD1 1 88 LEU H . . 6.500 4.594 3.962 5.245 . 0 0 "[ . 1 . 2 . 3 ]" 1 1084 1 87 LEU MD2 1 88 LEU H . . 6.500 4.830 3.899 5.445 . 0 0 "[ . 1 . 2 . 3 ]" 1 1085 1 88 LEU H 1 88 LEU HB2 . . 4.000 2.578 2.192 3.093 . 0 0 "[ . 1 . 2 . 3 ]" 1 1086 1 88 LEU H 1 88 LEU HG . . 4.000 3.406 1.936 4.077 0.077 19 0 "[ . 1 . 2 . 3 ]" 1 1087 1 88 LEU HA 1 88 LEU HG . . 4.000 3.043 2.320 3.875 . 0 0 "[ . 1 . 2 . 3 ]" 1 1088 1 88 LEU HA 1 89 PRO QD . . 3.800 1.950 1.837 2.317 . 0 0 "[ . 1 . 2 . 3 ]" 1 1089 1 89 PRO HA 1 90 GLY H . . 3.300 2.543 2.149 3.311 0.011 11 0 "[ . 1 . 2 . 3 ]" 1 1090 1 89 PRO HB2 1 90 GLY H . . 4.000 4.027 3.103 4.360 0.360 25 0 "[ . 1 . 2 . 3 ]" 1 1091 1 90 GLY H 1 91 ARG H . . 4.000 3.044 1.871 4.164 0.164 21 0 "[ . 1 . 2 . 3 ]" 1 1092 1 91 ARG H 1 91 ARG HB2 . . 4.000 2.962 2.284 3.812 . 0 0 "[ . 1 . 2 . 3 ]" 1 1093 1 91 ARG H 1 91 ARG HB3 . . 4.000 3.765 3.390 4.070 0.070 26 0 "[ . 1 . 2 . 3 ]" 1 1094 1 91 ARG HA 1 91 ARG HD2 . . 3.300 3.093 2.167 3.431 0.131 21 0 "[ . 1 . 2 . 3 ]" 1 1095 1 91 ARG HA 1 91 ARG HD3 . . 3.300 2.104 1.891 3.459 0.159 25 0 "[ . 1 . 2 . 3 ]" 1 1096 1 91 ARG HA 1 91 ARG HE . . 6.000 4.524 3.556 4.998 . 0 0 "[ . 1 . 2 . 3 ]" 1 1097 1 91 ARG HA 1 92 THR MG . . 5.500 3.454 2.993 4.112 . 0 0 "[ . 1 . 2 . 3 ]" 1 1098 1 91 ARG QB 1 95 ALA MB . . 5.960 2.334 1.756 3.280 . 0 0 "[ . 1 . 2 . 3 ]" 1 1099 1 91 ARG QB 1 96 VAL MG2 . . 5.090 2.506 1.930 2.951 . 0 0 "[ . 1 . 2 . 3 ]" 1 1100 1 91 ARG HB2 1 92 THR H . . 6.000 3.895 3.221 4.425 . 0 0 "[ . 1 . 2 . 3 ]" 1 1101 1 91 ARG HB2 1 95 ALA MB . . 6.500 3.735 3.138 4.374 . 0 0 "[ . 1 . 2 . 3 ]" 1 1102 1 91 ARG HB2 1 96 VAL MG2 . . 5.500 3.255 2.618 4.141 . 0 0 "[ . 1 . 2 . 3 ]" 1 1103 1 91 ARG HB3 1 92 THR H . . 6.000 3.107 1.953 4.467 . 0 0 "[ . 1 . 2 . 3 ]" 1 1104 1 91 ARG HB3 1 95 ALA MB . . 6.500 2.365 1.765 3.415 . 0 0 "[ . 1 . 2 . 3 ]" 1 1105 1 91 ARG HB3 1 96 VAL MG2 . . 5.500 2.637 1.958 3.021 . 0 0 "[ . 1 . 2 . 3 ]" 1 1106 1 91 ARG QD 1 92 THR H . . 5.880 3.704 2.883 4.950 . 0 0 "[ . 1 . 2 . 3 ]" 1 1107 1 91 ARG QD 1 95 ALA MB . . 6.380 2.238 1.800 3.434 . 0 0 "[ . 1 . 2 . 3 ]" 1 1108 1 91 ARG HD2 1 96 VAL MG2 . . 6.500 4.250 3.178 5.407 . 0 0 "[ . 1 . 2 . 3 ]" 1 1109 1 91 ARG HD3 1 96 VAL MG2 . . 6.500 5.022 4.254 5.343 . 0 0 "[ . 1 . 2 . 3 ]" 1 1110 1 92 THR HA 1 92 THR HB . . 2.800 2.531 2.401 2.642 . 0 0 "[ . 1 . 2 . 3 ]" 1 1111 1 92 THR MG 1 93 ASP H . . 4.300 3.584 3.452 3.712 . 0 0 "[ . 1 . 2 . 3 ]" 1 1112 1 92 THR MG 1 95 ALA MB . . 7.000 3.673 3.212 4.108 . 0 0 "[ . 1 . 2 . 3 ]" 1 1113 1 93 ASP H 1 93 ASP HA . . 2.800 2.825 2.740 2.916 0.116 6 0 "[ . 1 . 2 . 3 ]" 1 1114 1 93 ASP H 1 93 ASP QB . . 3.800 2.908 2.522 3.436 . 0 0 "[ . 1 . 2 . 3 ]" 1 1115 1 93 ASP H 1 94 ASN H . . 3.300 2.412 1.895 2.893 . 0 0 "[ . 1 . 2 . 3 ]" 1 1116 1 93 ASP HA 1 96 VAL H . . 4.000 3.548 3.273 3.733 . 0 0 "[ . 1 . 2 . 3 ]" 1 1117 1 93 ASP HA 1 96 VAL HB . . 4.000 3.306 2.827 3.714 . 0 0 "[ . 1 . 2 . 3 ]" 1 1118 1 93 ASP HA 1 96 VAL MG2 . . 4.800 3.662 3.202 3.905 . 0 0 "[ . 1 . 2 . 3 ]" 1 1119 1 93 ASP QB 1 96 VAL H . . 6.000 5.068 4.824 5.226 . 0 0 "[ . 1 . 2 . 3 ]" 1 1120 1 93 ASP O 1 97 LYS H . . 2.300 1.846 1.705 2.104 . 0 0 "[ . 1 . 2 . 3 ]" 1 1121 1 93 ASP O 1 97 LYS N . . 3.300 2.747 2.581 2.920 . 0 0 "[ . 1 . 2 . 3 ]" 1 1122 1 94 ASN H 1 94 ASN HB2 . . 3.300 2.785 2.022 3.523 0.223 12 0 "[ . 1 . 2 . 3 ]" 1 1123 1 94 ASN H 1 94 ASN HB3 . . 3.300 2.990 2.066 3.516 0.216 15 0 "[ . 1 . 2 . 3 ]" 1 1124 1 94 ASN H 1 94 ASN HD21 . . 5.000 3.295 2.632 4.256 . 0 0 "[ . 1 . 2 . 3 ]" 1 1125 1 94 ASN H 1 94 ASN QD . . 4.440 3.141 2.478 4.025 . 0 0 "[ . 1 . 2 . 3 ]" 1 1126 1 94 ASN H 1 94 ASN HD22 . . 5.000 4.100 3.020 5.094 0.094 18 0 "[ . 1 . 2 . 3 ]" 1 1127 1 94 ASN H 1 95 ALA H . . 2.800 2.685 2.428 2.873 0.073 17 0 "[ . 1 . 2 . 3 ]" 1 1128 1 94 ASN HA 1 94 ASN HB2 . . 2.800 2.777 2.302 3.046 0.246 19 0 "[ . 1 . 2 . 3 ]" 1 1129 1 94 ASN HA 1 94 ASN HB3 . . 2.800 2.639 2.313 2.987 0.187 18 0 "[ . 1 . 2 . 3 ]" 1 1130 1 94 ASN HA 1 94 ASN HD22 . . 5.000 4.602 3.181 5.016 0.016 20 0 "[ . 1 . 2 . 3 ]" 1 1131 1 94 ASN HA 1 95 ALA H . . 3.300 3.500 3.451 3.575 0.275 20 0 "[ . 1 . 2 . 3 ]" 1 1132 1 94 ASN HA 1 95 ALA MB . . 6.500 4.959 4.919 5.006 . 0 0 "[ . 1 . 2 . 3 ]" 1 1133 1 94 ASN HA 1 97 LYS HB2 . . 4.000 3.637 3.243 4.059 0.059 15 0 "[ . 1 . 2 . 3 ]" 1 1134 1 94 ASN HA 1 97 LYS HB3 . . 4.000 2.481 2.184 2.902 . 0 0 "[ . 1 . 2 . 3 ]" 1 1135 1 94 ASN HA 1 97 LYS HG2 . . 6.000 4.465 4.111 4.942 . 0 0 "[ . 1 . 2 . 3 ]" 1 1136 1 94 ASN HA 1 97 LYS QG . . 5.450 4.241 3.916 4.684 . 0 0 "[ . 1 . 2 . 3 ]" 1 1137 1 94 ASN HA 1 97 LYS HG3 . . 6.000 5.292 4.928 5.808 . 0 0 "[ . 1 . 2 . 3 ]" 1 1138 1 94 ASN QB 1 95 ALA H . . 3.680 3.272 3.158 3.504 . 0 0 "[ . 1 . 2 . 3 ]" 1 1139 1 94 ASN QB 1 95 ALA HA . . 5.880 4.005 3.860 4.600 . 0 0 "[ . 1 . 2 . 3 ]" 1 1140 1 94 ASN QB 1 95 ALA MB . . 6.380 4.152 3.784 4.468 . 0 0 "[ . 1 . 2 . 3 ]" 1 1141 1 94 ASN HB2 1 94 ASN HD22 . . 4.000 3.781 3.445 4.152 0.152 2 0 "[ . 1 . 2 . 3 ]" 1 1142 1 94 ASN HB3 1 94 ASN HD22 . . 4.000 3.683 3.446 4.010 0.010 26 0 "[ . 1 . 2 . 3 ]" 1 1143 1 95 ALA H 1 95 ALA HA . . 2.800 2.850 2.805 2.902 0.102 15 0 "[ . 1 . 2 . 3 ]" 1 1144 1 95 ALA H 1 96 VAL H . . 2.800 2.752 2.434 2.887 0.087 29 0 "[ . 1 . 2 . 3 ]" 1 1145 1 95 ALA HA 1 98 ASN HB2 . . 5.000 3.888 3.359 4.232 . 0 0 "[ . 1 . 2 . 3 ]" 1 1146 1 95 ALA HA 1 98 ASN HB3 . . 5.000 3.605 3.095 4.060 . 0 0 "[ . 1 . 2 . 3 ]" 1 1147 1 95 ALA MB 1 96 VAL H . . 3.800 2.179 2.032 2.364 . 0 0 "[ . 1 . 2 . 3 ]" 1 1148 1 95 ALA MB 1 96 VAL HA . . 6.000 3.700 3.630 3.783 . 0 0 "[ . 1 . 2 . 3 ]" 1 1149 1 95 ALA MB 1 96 VAL MG1 . . 7.500 4.748 4.670 4.822 . 0 0 "[ . 1 . 2 . 3 ]" 1 1150 1 95 ALA MB 1 96 VAL MG2 . . 7.000 2.732 2.501 3.030 . 0 0 "[ . 1 . 2 . 3 ]" 1 1151 1 95 ALA MB 1 98 ASN HB2 . . 6.500 5.258 4.829 5.488 . 0 0 "[ . 1 . 2 . 3 ]" 1 1152 1 95 ALA MB 1 98 ASN HB3 . . 6.500 4.916 4.494 5.226 . 0 0 "[ . 1 . 2 . 3 ]" 1 1153 1 96 VAL H 1 96 VAL HB . . 2.800 2.452 2.341 2.490 . 0 0 "[ . 1 . 2 . 3 ]" 1 1154 1 96 VAL H 1 96 VAL MG2 . . 4.300 1.897 1.837 2.123 . 0 0 "[ . 1 . 2 . 3 ]" 1 1155 1 96 VAL H 1 97 LYS H . . 3.300 2.859 2.700 2.974 . 0 0 "[ . 1 . 2 . 3 ]" 1 1156 1 96 VAL HA 1 99 HIS H . . 4.000 3.291 2.843 3.562 . 0 0 "[ . 1 . 2 . 3 ]" 1 1157 1 96 VAL HA 1 99 HIS HD2 . . 4.500 3.481 2.941 3.884 . 0 0 "[ . 1 . 2 . 3 ]" 1 1158 1 96 VAL HB 1 97 LYS H . . 2.800 2.378 2.222 2.522 . 0 0 "[ . 1 . 2 . 3 ]" 1 1159 1 96 VAL MG1 1 99 HIS HD2 . . 6.000 3.628 3.102 4.133 . 0 0 "[ . 1 . 2 . 3 ]" 1 1160 1 96 VAL MG2 1 99 HIS HD2 . . 6.000 3.887 3.459 4.301 . 0 0 "[ . 1 . 2 . 3 ]" 1 1161 1 97 LYS H 1 97 LYS QB . . 3.460 2.202 2.188 2.214 . 0 0 "[ . 1 . 2 . 3 ]" 1 1162 1 97 LYS H 1 97 LYS QE . . 5.000 4.463 4.375 4.535 . 0 0 "[ . 1 . 2 . 3 ]" 1 1163 1 97 LYS H 1 97 LYS QG . . 4.880 3.926 3.912 3.934 . 0 0 "[ . 1 . 2 . 3 ]" 1 1164 1 97 LYS H 1 98 ASN H . . 3.300 3.140 2.940 3.257 . 0 0 "[ . 1 . 2 . 3 ]" 1 1165 1 97 LYS QB 1 98 ASN H . . 3.680 2.362 2.183 2.682 . 0 0 "[ . 1 . 2 . 3 ]" 1 1166 1 97 LYS QG 1 98 ASN H . . 4.880 3.273 2.897 3.686 . 0 0 "[ . 1 . 2 . 3 ]" 1 1167 1 97 LYS QG 1 101 ASN QD . . 5.810 3.541 3.232 3.968 . 0 0 "[ . 1 . 2 . 3 ]" 1 1168 1 97 LYS HG2 1 101 ASN HD21 . . 6.750 3.987 3.574 4.516 . 0 0 "[ . 1 . 2 . 3 ]" 1 1169 1 97 LYS HG2 1 101 ASN HD22 . . 6.750 4.757 4.294 5.530 . 0 0 "[ . 1 . 2 . 3 ]" 1 1170 1 97 LYS HG3 1 101 ASN HD21 . . 6.750 4.652 4.399 5.034 . 0 0 "[ . 1 . 2 . 3 ]" 1 1171 1 97 LYS HG3 1 101 ASN HD22 . . 6.750 4.916 4.423 5.522 . 0 0 "[ . 1 . 2 . 3 ]" 1 1172 1 98 ASN H 1 98 ASN HA . . 2.800 2.742 2.700 2.815 0.015 31 0 "[ . 1 . 2 . 3 ]" 1 1173 1 98 ASN H 1 98 ASN HB2 . . 2.800 2.196 2.157 2.334 . 0 0 "[ . 1 . 2 . 3 ]" 1 1174 1 98 ASN H 1 98 ASN HB3 . . 2.800 2.808 2.628 2.859 0.059 22 0 "[ . 1 . 2 . 3 ]" 1 1175 1 98 ASN H 1 98 ASN QD . . 4.870 3.959 3.888 4.172 . 0 0 "[ . 1 . 2 . 3 ]" 1 1176 1 98 ASN H 1 99 HIS H . . 2.800 2.759 2.465 2.873 0.073 9 0 "[ . 1 . 2 . 3 ]" 1 1177 1 98 ASN HA 1 98 ASN HB2 . . 2.800 2.652 2.559 2.713 . 0 0 "[ . 1 . 2 . 3 ]" 1 1178 1 98 ASN HA 1 98 ASN HB3 . . 2.800 3.044 3.023 3.064 0.264 28 0 "[ . 1 . 2 . 3 ]" 1 1179 1 98 ASN HA 1 98 ASN HD21 . . 4.000 3.344 3.133 3.384 . 0 0 "[ . 1 . 2 . 3 ]" 1 1180 1 98 ASN HA 1 98 ASN QD . . 3.560 3.177 3.017 3.200 . 0 0 "[ . 1 . 2 . 3 ]" 1 1181 1 98 ASN HA 1 98 ASN HD22 . . 4.000 3.968 3.940 4.017 0.017 20 0 "[ . 1 . 2 . 3 ]" 1 1182 1 98 ASN HA 1 101 ASN H . . 4.000 3.381 3.088 3.526 . 0 0 "[ . 1 . 2 . 3 ]" 1 1183 1 98 ASN HA 1 101 ASN HB2 . . 4.000 3.384 3.099 3.510 . 0 0 "[ . 1 . 2 . 3 ]" 1 1184 1 98 ASN HA 1 101 ASN HB3 . . 5.000 5.100 4.791 5.233 0.233 30 0 "[ . 1 . 2 . 3 ]" 1 1185 1 98 ASN HA 1 101 ASN HD21 . . 5.000 3.413 3.308 3.477 . 0 0 "[ . 1 . 2 . 3 ]" 1 1186 1 98 ASN HA 1 101 ASN QD . . 4.440 3.363 3.265 3.424 . 0 0 "[ . 1 . 2 . 3 ]" 1 1187 1 98 ASN HA 1 101 ASN HD22 . . 5.000 5.076 5.010 5.127 0.127 30 0 "[ . 1 . 2 . 3 ]" 1 1188 1 98 ASN HA 1 102 SER H . . 5.000 4.381 4.102 4.705 . 0 0 "[ . 1 . 2 . 3 ]" 1 1189 1 98 ASN HB2 1 98 ASN HD22 . . 4.000 3.454 3.452 3.467 . 0 0 "[ . 1 . 2 . 3 ]" 1 1190 1 98 ASN HB3 1 98 ASN HD22 . . 4.000 4.037 4.033 4.067 0.067 28 0 "[ . 1 . 2 . 3 ]" 1 1191 1 99 HIS H 1 99 HIS HA . . 2.800 2.710 2.685 2.783 . 0 0 "[ . 1 . 2 . 3 ]" 1 1192 1 99 HIS H 1 99 HIS HB2 . . 2.800 2.397 2.198 2.543 . 0 0 "[ . 1 . 2 . 3 ]" 1 1193 1 99 HIS H 1 99 HIS HB3 . . 2.800 2.525 2.383 2.754 . 0 0 "[ . 1 . 2 . 3 ]" 1 1194 1 99 HIS H 1 100 TRP H . . 2.800 2.803 2.627 2.856 0.056 9 0 "[ . 1 . 2 . 3 ]" 1 1195 1 99 HIS HB2 1 99 HIS HD2 . . 3.800 3.415 3.212 3.620 . 0 0 "[ . 1 . 2 . 3 ]" 1 1196 1 99 HIS HB2 1 100 TRP H . . 4.000 4.167 4.047 4.240 0.240 9 0 "[ . 1 . 2 . 3 ]" 1 1197 1 99 HIS HB3 1 99 HIS HD2 . . 3.800 2.809 2.724 2.941 . 0 0 "[ . 1 . 2 . 3 ]" 1 1198 1 99 HIS HB3 1 100 TRP H . . 4.000 3.116 3.032 3.292 . 0 0 "[ . 1 . 2 . 3 ]" 1 1199 1 99 HIS HD2 1 100 TRP HZ3 . . 6.500 5.551 5.013 6.253 . 0 0 "[ . 1 . 2 . 3 ]" 1 1200 1 99 HIS HD2 1 104 ILE HB . . 5.500 5.599 5.444 5.692 0.192 11 0 "[ . 1 . 2 . 3 ]" 1 1201 1 99 HIS HD2 1 104 ILE MD . . 4.800 2.857 2.255 3.910 . 0 0 "[ . 1 . 2 . 3 ]" 1 1202 1 99 HIS HE1 1 103 THR HA . . 5.500 5.649 5.527 5.744 0.244 28 0 "[ . 1 . 2 . 3 ]" 1 1203 1 99 HIS HE1 1 103 THR HB . . 3.300 2.801 2.656 2.994 . 0 0 "[ . 1 . 2 . 3 ]" 1 1204 1 99 HIS HE1 1 103 THR MG . . 4.800 3.455 3.006 3.658 . 0 0 "[ . 1 . 2 . 3 ]" 1 1205 1 99 HIS HE1 1 104 ILE HA . . 5.500 5.561 5.490 5.640 0.140 3 0 "[ . 1 . 2 . 3 ]" 1 1206 1 99 HIS HE1 1 104 ILE MD . . 4.500 3.057 2.226 3.491 . 0 0 "[ . 1 . 2 . 3 ]" 1 1207 1 99 HIS HE1 1 104 ILE QG . . 6.380 2.950 2.745 3.308 . 0 0 "[ . 1 . 2 . 3 ]" 1 1208 1 100 TRP H 1 100 TRP HB2 . . 2.800 2.171 2.118 2.257 . 0 0 "[ . 1 . 2 . 3 ]" 1 1209 1 100 TRP H 1 100 TRP HB3 . . 2.800 2.815 2.684 2.899 0.099 8 0 "[ . 1 . 2 . 3 ]" 1 1210 1 100 TRP H 1 100 TRP HE3 . . 4.000 3.802 3.660 4.036 0.036 24 0 "[ . 1 . 2 . 3 ]" 1 1211 1 100 TRP H 1 101 ASN H . . 2.800 2.804 2.468 2.945 0.145 30 0 "[ . 1 . 2 . 3 ]" 1 1212 1 100 TRP HA 1 100 TRP HE1 . . 6.000 5.571 5.503 5.659 . 0 0 "[ . 1 . 2 . 3 ]" 1 1213 1 100 TRP HA 1 100 TRP HE3 . . 2.800 1.965 1.895 2.035 . 0 0 "[ . 1 . 2 . 3 ]" 1 1214 1 100 TRP HA 1 100 TRP HZ3 . . 5.000 4.194 4.138 4.273 . 0 0 "[ . 1 . 2 . 3 ]" 1 1215 1 100 TRP HA 1 104 ILE HB . . 4.000 1.876 1.739 2.218 . 0 0 "[ . 1 . 2 . 3 ]" 1 1216 1 100 TRP HA 1 104 ILE MD . . 5.500 3.248 2.243 4.677 . 0 0 "[ . 1 . 2 . 3 ]" 1 1217 1 100 TRP HA 1 104 ILE MG . . 6.500 3.279 2.960 3.439 . 0 0 "[ . 1 . 2 . 3 ]" 1 1218 1 100 TRP HB2 1 100 TRP HE1 . . 5.000 5.263 5.248 5.282 0.282 30 0 "[ . 1 . 2 . 3 ]" 1 1219 1 100 TRP HB2 1 100 TRP HE3 . . 4.000 3.079 3.005 3.134 . 0 0 "[ . 1 . 2 . 3 ]" 1 1220 1 100 TRP HB2 1 101 ASN H . . 3.300 3.410 3.303 3.603 0.303 27 0 "[ . 1 . 2 . 3 ]" 1 1221 1 100 TRP HB3 1 100 TRP HE1 . . 5.000 4.911 4.908 4.913 . 0 0 "[ . 1 . 2 . 3 ]" 1 1222 1 100 TRP HB3 1 101 ASN H . . 3.300 2.256 2.032 2.760 . 0 0 "[ . 1 . 2 . 3 ]" 1 1223 1 100 TRP HD1 1 101 ASN HA . . 5.500 5.031 4.627 5.555 0.055 8 0 "[ . 1 . 2 . 3 ]" 1 1224 1 100 TRP HE3 1 101 ASN H . . 5.200 5.361 5.288 5.428 0.228 30 0 "[ . 1 . 2 . 3 ]" 1 1225 1 100 TRP HE3 1 104 ILE HB . . 4.000 2.437 2.133 2.698 . 0 0 "[ . 1 . 2 . 3 ]" 1 1226 1 100 TRP HE3 1 104 ILE MD . . 6.500 2.608 1.806 4.332 . 0 0 "[ . 1 . 2 . 3 ]" 1 1227 1 100 TRP HE3 1 104 ILE MG . . 6.500 2.733 2.586 2.818 . 0 0 "[ . 1 . 2 . 3 ]" 1 1228 1 100 TRP HZ3 1 104 ILE MG . . 4.300 1.929 1.827 2.090 . 0 0 "[ . 1 . 2 . 3 ]" 1 1229 1 101 ASN H 1 101 ASN HA . . 2.800 2.818 2.780 2.880 0.080 8 0 "[ . 1 . 2 . 3 ]" 1 1230 1 101 ASN H 1 101 ASN HB2 . . 2.800 2.317 2.251 2.367 . 0 0 "[ . 1 . 2 . 3 ]" 1 1231 1 101 ASN H 1 101 ASN HB3 . . 3.300 3.532 3.514 3.548 0.248 31 0 "[ . 1 . 2 . 3 ]" 1 1232 1 101 ASN H 1 101 ASN HD21 . . 4.000 2.712 2.624 2.864 . 0 0 "[ . 1 . 2 . 3 ]" 1 1233 1 101 ASN H 1 101 ASN QD . . 3.560 2.657 2.572 2.805 . 0 0 "[ . 1 . 2 . 3 ]" 1 1234 1 101 ASN H 1 101 ASN HD22 . . 4.000 3.813 3.647 4.076 0.076 8 0 "[ . 1 . 2 . 3 ]" 1 1235 1 101 ASN H 1 102 SER H . . 2.800 2.540 2.326 2.644 . 0 0 "[ . 1 . 2 . 3 ]" 1 1236 1 101 ASN HA 1 102 SER H . . 3.300 3.356 3.307 3.385 0.085 31 0 "[ . 1 . 2 . 3 ]" 1 1237 1 101 ASN HA 1 105 LYS HB2 . . 5.000 2.409 1.862 4.339 . 0 0 "[ . 1 . 2 . 3 ]" 1 1238 1 101 ASN HA 1 105 LYS HB3 . . 5.000 2.732 1.960 4.469 . 0 0 "[ . 1 . 2 . 3 ]" 1 1239 1 101 ASN HA 1 105 LYS QD . . 4.180 3.885 1.891 4.055 . 0 0 "[ . 1 . 2 . 3 ]" 1 1240 1 101 ASN HA 1 105 LYS QG . . 6.000 1.894 1.832 2.011 . 0 0 "[ . 1 . 2 . 3 ]" 1 1241 1 101 ASN HB2 1 101 ASN QD . . 3.340 2.102 2.094 2.139 . 0 0 "[ . 1 . 2 . 3 ]" 1 1242 1 101 ASN HB2 1 101 ASN HD22 . . 4.000 3.452 3.449 3.467 . 0 0 "[ . 1 . 2 . 3 ]" 1 1243 1 101 ASN HB2 1 102 SER H . . 3.300 3.514 3.443 3.632 0.332 27 0 "[ . 1 . 2 . 3 ]" 1 1244 1 101 ASN HB3 1 101 ASN HD22 . . 4.000 4.030 4.018 4.069 0.069 8 0 "[ . 1 . 2 . 3 ]" 1 1245 1 101 ASN HB3 1 102 SER H . . 4.000 4.206 4.134 4.252 0.252 9 0 "[ . 1 . 2 . 3 ]" 1 1246 1 102 SER H 1 102 SER HA . . 2.800 2.817 2.806 2.833 0.033 8 0 "[ . 1 . 2 . 3 ]" 1 1247 1 102 SER H 1 103 THR H . . 2.800 3.005 2.877 3.079 0.279 14 0 "[ . 1 . 2 . 3 ]" 1 1248 1 102 SER HA 1 102 SER HB2 . . 2.800 2.873 2.429 3.052 0.252 8 0 "[ . 1 . 2 . 3 ]" 1 1249 1 102 SER HA 1 102 SER HB3 . . 2.800 2.707 2.482 3.051 0.251 2 0 "[ . 1 . 2 . 3 ]" 1 1250 1 103 THR H 1 103 THR HA . . 2.800 2.944 2.930 2.949 0.149 30 0 "[ . 1 . 2 . 3 ]" 1 1251 1 103 THR H 1 103 THR HB . . 3.300 2.447 2.333 2.596 . 0 0 "[ . 1 . 2 . 3 ]" 1 1252 1 103 THR H 1 103 THR MG . . 4.800 3.665 3.592 3.760 . 0 0 "[ . 1 . 2 . 3 ]" 1 1253 1 103 THR H 1 104 ILE H . . 2.800 1.788 1.647 1.914 . 0 0 "[ . 1 . 2 . 3 ]" 1 1254 1 103 THR HA 1 103 THR HB . . 2.800 3.031 3.015 3.047 0.247 1 0 "[ . 1 . 2 . 3 ]" 1 1255 1 103 THR HA 1 104 ILE H . . 3.300 3.410 3.360 3.456 0.156 9 0 "[ . 1 . 2 . 3 ]" 1 1256 1 103 THR HB 1 104 ILE H . . 3.300 3.489 3.395 3.640 0.340 4 0 "[ . 1 . 2 . 3 ]" 1 1257 1 103 THR MG 1 104 ILE HA . . 5.500 3.597 3.409 3.787 . 0 0 "[ . 1 . 2 . 3 ]" 1 1258 1 103 THR MG 1 104 ILE MD . . 7.000 4.111 2.762 4.798 . 0 0 "[ . 1 . 2 . 3 ]" 1 1259 1 103 THR MG 1 104 ILE HG12 . . 6.500 3.674 3.281 3.897 . 0 0 "[ . 1 . 2 . 3 ]" 1 1260 1 103 THR MG 1 104 ILE QG . . 5.960 3.346 2.789 3.744 . 0 0 "[ . 1 . 2 . 3 ]" 1 1261 1 103 THR MG 1 104 ILE HG13 . . 6.500 4.077 2.881 5.086 . 0 0 "[ . 1 . 2 . 3 ]" 1 1262 1 103 THR MG 1 104 ILE MG . . 7.000 4.623 4.554 4.750 . 0 0 "[ . 1 . 2 . 3 ]" 1 1263 1 104 ILE H 1 104 ILE HB . . 2.800 2.639 2.495 2.744 . 0 0 "[ . 1 . 2 . 3 ]" 1 1264 1 104 ILE H 1 104 ILE HG12 . . 4.000 2.919 1.918 3.992 . 0 0 "[ . 1 . 2 . 3 ]" 1 1265 1 104 ILE H 1 104 ILE QG . . 3.560 1.980 1.859 2.586 . 0 0 "[ . 1 . 2 . 3 ]" 1 1266 1 104 ILE H 1 104 ILE HG13 . . 4.000 2.416 1.871 3.402 . 0 0 "[ . 1 . 2 . 3 ]" 1 1267 1 104 ILE H 1 105 LYS H . . 2.800 2.973 2.899 3.137 0.337 14 0 "[ . 1 . 2 . 3 ]" 1 1268 1 104 ILE HA 1 104 ILE HG12 . . 4.000 2.885 2.720 3.174 . 0 0 "[ . 1 . 2 . 3 ]" 1 1269 1 104 ILE HA 1 104 ILE HG13 . . 4.000 3.362 2.760 3.942 . 0 0 "[ . 1 . 2 . 3 ]" 1 1270 1 104 ILE HA 1 105 LYS H . . 2.800 2.913 2.784 2.985 0.185 10 0 "[ . 1 . 2 . 3 ]" 1 1271 1 104 ILE MD 1 105 LYS QD . . 7.680 5.714 5.494 5.843 . 0 0 "[ . 1 . 2 . 3 ]" 1 1272 1 104 ILE QG 1 105 LYS QG . . 6.880 4.771 4.519 5.034 . 0 0 "[ . 1 . 2 . 3 ]" 1 1273 1 104 ILE MG 1 105 LYS HA . . 6.500 4.377 4.100 4.450 . 0 0 "[ . 1 . 2 . 3 ]" 1 1274 1 105 LYS H 1 105 LYS HA . . 2.800 2.905 2.878 2.939 0.139 5 0 "[ . 1 . 2 . 3 ]" 1 1275 1 105 LYS H 1 105 LYS QB . . 3.460 2.837 2.384 3.192 . 0 0 "[ . 1 . 2 . 3 ]" 1 1276 1 105 LYS H 1 106 ARG H . . 4.000 3.483 2.689 4.361 0.361 4 0 "[ . 1 . 2 . 3 ]" 1 1277 1 105 LYS HA 1 105 LYS QE . . 5.880 3.919 1.958 5.149 . 0 0 "[ . 1 . 2 . 3 ]" 1 1278 1 105 LYS HA 1 105 LYS QG . . 3.800 2.900 2.636 3.374 . 0 0 "[ . 1 . 2 . 3 ]" 1 1279 1 105 LYS HA 1 106 ARG H . . 2.800 2.447 2.176 2.887 0.087 8 0 "[ . 1 . 2 . 3 ]" 1 1280 1 105 LYS HA 1 108 VAL MG1 . . 6.500 5.277 5.067 5.415 . 0 0 "[ . 1 . 2 . 3 ]" 1 1281 1 105 LYS HA 1 108 VAL QG . . 5.820 3.909 2.639 4.393 . 0 0 "[ . 1 . 2 . 3 ]" 1 1282 1 105 LYS HA 1 108 VAL MG2 . . 6.500 4.083 2.645 4.811 . 0 0 "[ . 1 . 2 . 3 ]" 1 1283 1 105 LYS QB 1 105 LYS QE . . 4.240 2.750 1.901 3.394 . 0 0 "[ . 1 . 2 . 3 ]" 1 1284 1 105 LYS HB2 1 105 LYS HE2 . . 5.050 3.892 2.150 5.091 0.041 12 0 "[ . 1 . 2 . 3 ]" 1 1285 1 105 LYS HB2 1 105 LYS HE3 . . 5.050 4.246 3.140 5.104 0.054 25 0 "[ . 1 . 2 . 3 ]" 1 1286 1 105 LYS HB3 1 105 LYS HE2 . . 5.050 3.673 1.964 4.690 . 0 0 "[ . 1 . 2 . 3 ]" 1 1287 1 105 LYS HB3 1 105 LYS HE3 . . 5.050 3.583 2.065 4.969 . 0 0 "[ . 1 . 2 . 3 ]" 1 1288 1 105 LYS QD 1 106 ARG H . . 4.180 3.459 3.065 3.805 . 0 0 "[ . 1 . 2 . 3 ]" 1 1289 1 105 LYS QD 1 106 ARG HE . . 4.880 4.127 3.504 4.430 . 0 0 "[ . 1 . 2 . 3 ]" 1 1290 1 106 ARG H 1 106 ARG HA . . 2.800 2.812 2.756 2.888 0.088 4 0 "[ . 1 . 2 . 3 ]" 1 1291 1 106 ARG H 1 106 ARG HB2 . . 3.300 2.584 2.038 3.550 0.250 9 0 "[ . 1 . 2 . 3 ]" 1 1292 1 106 ARG H 1 106 ARG QB . . 2.930 2.317 2.019 2.798 . 0 0 "[ . 1 . 2 . 3 ]" 1 1293 1 106 ARG H 1 106 ARG HB3 . . 3.300 3.228 2.610 3.579 0.279 14 0 "[ . 1 . 2 . 3 ]" 1 1294 1 106 ARG H 1 106 ARG QG . . 3.800 2.754 1.669 3.517 . 0 0 "[ . 1 . 2 . 3 ]" 1 1295 1 106 ARG H 1 107 LYS H . . 2.800 2.768 2.454 2.973 0.173 32 0 "[ . 1 . 2 . 3 ]" 1 1296 1 106 ARG HA 1 106 ARG QD . . 5.000 3.642 2.295 4.240 . 0 0 "[ . 1 . 2 . 3 ]" 1 1297 1 106 ARG HA 1 106 ARG HE . . 6.000 3.899 2.000 5.665 . 0 0 "[ . 1 . 2 . 3 ]" 1 1298 1 106 ARG HA 1 106 ARG QG . . 3.800 2.581 2.024 3.392 . 0 0 "[ . 1 . 2 . 3 ]" 1 1299 1 107 LYS H 1 107 LYS HA . . 2.800 2.833 2.808 2.889 0.089 30 0 "[ . 1 . 2 . 3 ]" 1 1300 1 107 LYS H 1 107 LYS HB2 . . 2.800 2.454 2.035 2.992 0.192 21 0 "[ . 1 . 2 . 3 ]" 1 1301 1 107 LYS H 1 107 LYS HB3 . . 2.800 2.626 2.115 3.264 0.464 16 0 "[ . 1 . 2 . 3 ]" 1 1302 1 107 LYS H 1 107 LYS QD . . 5.000 4.494 2.583 4.608 . 0 0 "[ . 1 . 2 . 3 ]" 1 1303 1 107 LYS H 1 107 LYS HG2 . . 4.000 4.129 4.075 4.354 0.354 17 0 "[ . 1 . 2 . 3 ]" 1 1304 1 107 LYS H 1 107 LYS HG3 . . 4.000 4.172 4.063 4.281 0.281 2 0 "[ . 1 . 2 . 3 ]" 1 1305 1 107 LYS HA 1 107 LYS QE . . 5.000 4.252 3.998 4.607 . 0 0 "[ . 1 . 2 . 3 ]" 1 1306 1 107 LYS HA 1 108 VAL H . . 2.800 2.404 2.200 2.638 . 0 0 "[ . 1 . 2 . 3 ]" 1 1307 1 108 VAL H 1 108 VAL HA . . 2.800 2.892 2.856 2.941 0.141 14 0 "[ . 1 . 2 . 3 ]" 1 1308 1 108 VAL H 1 108 VAL HB . . 2.800 2.750 2.077 2.919 0.119 16 0 "[ . 1 . 2 . 3 ]" 1 1309 1 108 VAL H 1 109 ASP H . . 2.800 2.060 1.899 2.703 . 0 0 "[ . 1 . 2 . 3 ]" 1 1310 1 108 VAL HA 1 108 VAL HB . . 2.800 2.915 2.774 2.996 0.196 22 0 "[ . 1 . 2 . 3 ]" 1 1311 1 108 VAL HB 1 109 ASP H . . 3.300 2.851 2.342 3.295 . 0 0 "[ . 1 . 2 . 3 ]" 1 1312 1 109 ASP H 1 109 ASP HA . . 2.800 2.657 2.194 2.878 0.078 31 0 "[ . 1 . 2 . 3 ]" 1 1313 1 109 ASP H 1 109 ASP HB2 . . 3.300 2.850 2.104 3.176 . 0 0 "[ . 1 . 2 . 3 ]" 1 1314 1 109 ASP H 1 109 ASP QB . . 2.930 2.592 2.075 2.798 . 0 0 "[ . 1 . 2 . 3 ]" 1 1315 1 109 ASP H 1 109 ASP HB3 . . 3.300 3.084 2.369 3.361 0.061 1 0 "[ . 1 . 2 . 3 ]" 1 1316 1 109 ASP H 1 110 THR H . . 3.300 3.179 2.661 3.317 0.017 7 0 "[ . 1 . 2 . 3 ]" 1 1317 1 109 ASP HA 1 110 THR H . . 3.300 2.615 2.414 3.154 . 0 0 "[ . 1 . 2 . 3 ]" 1 1318 1 109 ASP QB 1 110 THR MG . . 7.380 4.950 3.364 5.487 . 0 0 "[ . 1 . 2 . 3 ]" 1 1319 1 110 THR H 1 110 THR HA . . 2.800 2.502 2.223 2.828 0.028 25 0 "[ . 1 . 2 . 3 ]" 1 stop_ save_
Contact the webmaster for help, if required. Friday, March 29, 2024 4:49:33 AM GMT (wattos1)