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NMR Restraints Grid |
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Result table
(Save to zip file containing files for each block)
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
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407841 |
1yjt ![]() ![]() |
6482 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1yjt 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 1829 _Distance_constraint_stats_list.Viol_count 913 _Distance_constraint_stats_list.Viol_total 1019.941 _Distance_constraint_stats_list.Viol_max 0.208 _Distance_constraint_stats_list.Viol_rms 0.0064 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0006 _Distance_constraint_stats_list.Viol_average_violations_only 0.0372 _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 3 ASP 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 4 GLY 0.015 0.015 19 0 "[ . 1 . 2 . 3]" 1 5 VAL 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 6 LEU 1.050 0.111 19 0 "[ . 1 . 2 . 3]" 1 7 GLU 0.896 0.111 19 0 "[ . 1 . 2 . 3]" 1 8 LEU 1.262 0.068 6 0 "[ . 1 . 2 . 3]" 1 9 VAL 1.203 0.068 6 0 "[ . 1 . 2 . 3]" 1 10 VAL 1.835 0.106 29 0 "[ . 1 . 2 . 3]" 1 11 ARG 0.054 0.023 10 0 "[ . 1 . 2 . 3]" 1 12 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 13 MET 0.301 0.039 1 0 "[ . 1 . 2 . 3]" 1 14 THR 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 15 CYS 0.203 0.038 12 0 "[ . 1 . 2 . 3]" 1 16 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 17 SER 0.000 0.000 7 0 "[ . 1 . 2 . 3]" 1 18 CYS 0.239 0.046 25 0 "[ . 1 . 2 . 3]" 1 19 VAL 0.412 0.046 25 0 "[ . 1 . 2 . 3]" 1 20 HIS 2.298 0.100 13 0 "[ . 1 . 2 . 3]" 1 21 LYS 0.245 0.045 17 0 "[ . 1 . 2 . 3]" 1 22 ILE 0.602 0.045 17 0 "[ . 1 . 2 . 3]" 1 23 GLU 0.013 0.013 14 0 "[ . 1 . 2 . 3]" 1 24 SER 0.101 0.025 14 0 "[ . 1 . 2 . 3]" 1 25 SER 0.746 0.056 18 0 "[ . 1 . 2 . 3]" 1 26 LEU 1.597 0.105 20 0 "[ . 1 . 2 . 3]" 1 27 THR 1.178 0.089 2 0 "[ . 1 . 2 . 3]" 1 28 LYS 0.265 0.057 26 0 "[ . 1 . 2 . 3]" 1 29 HIS 1.004 0.065 25 0 "[ . 1 . 2 . 3]" 1 30 ARG 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 31 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 32 ILE 1.542 0.105 20 0 "[ . 1 . 2 . 3]" 1 33 LEU 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 34 TYR 1.967 0.106 13 0 "[ . 1 . 2 . 3]" 1 35 CYS 0.532 0.075 2 0 "[ . 1 . 2 . 3]" 1 36 SER 0.054 0.042 2 0 "[ . 1 . 2 . 3]" 1 37 VAL 0.567 0.087 13 0 "[ . 1 . 2 . 3]" 1 38 ALA 0.582 0.083 10 0 "[ . 1 . 2 . 3]" 1 39 LEU 0.309 0.063 18 0 "[ . 1 . 2 . 3]" 1 40 ALA 0.147 0.038 17 0 "[ . 1 . 2 . 3]" 1 41 THR 3.995 0.142 13 0 "[ . 1 . 2 . 3]" 1 42 ASN 2.627 0.142 13 0 "[ . 1 . 2 . 3]" 1 43 LYS 2.385 0.101 19 0 "[ . 1 . 2 . 3]" 1 44 ALA 1.000 0.073 26 0 "[ . 1 . 2 . 3]" 1 45 HIS 4.265 0.208 23 0 "[ . 1 . 2 . 3]" 1 46 ILE 0.192 0.046 19 0 "[ . 1 . 2 . 3]" 1 47 LYS 2.036 0.106 13 0 "[ . 1 . 2 . 3]" 1 48 TYR 0.631 0.095 16 0 "[ . 1 . 2 . 3]" 1 49 ASP 0.623 0.095 16 0 "[ . 1 . 2 . 3]" 1 50 PRO 0.035 0.016 26 0 "[ . 1 . 2 . 3]" 1 51 GLU 0.433 0.068 20 0 "[ . 1 . 2 . 3]" 1 52 ILE 1.047 0.086 14 0 "[ . 1 . 2 . 3]" 1 53 ILE 1.737 0.086 14 0 "[ . 1 . 2 . 3]" 1 54 GLY 0.130 0.047 19 0 "[ . 1 . 2 . 3]" 1 55 PRO 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 56 ARG 0.029 0.011 4 0 "[ . 1 . 2 . 3]" 1 57 ASP 0.678 0.068 13 0 "[ . 1 . 2 . 3]" 1 58 ILE 0.273 0.038 16 0 "[ . 1 . 2 . 3]" 1 59 ILE 0.198 0.025 1 0 "[ . 1 . 2 . 3]" 1 60 HIS 2.203 0.100 22 0 "[ . 1 . 2 . 3]" 1 61 THR 2.373 0.100 22 0 "[ . 1 . 2 . 3]" 1 62 ILE 0.315 0.062 16 0 "[ . 1 . 2 . 3]" 1 63 GLU 0.423 0.077 10 0 "[ . 1 . 2 . 3]" 1 64 SER 0.183 0.077 10 0 "[ . 1 . 2 . 3]" 1 65 LEU 0.250 0.084 23 0 "[ . 1 . 2 . 3]" 1 66 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 67 PHE 0.894 0.056 21 0 "[ . 1 . 2 . 3]" 1 68 GLU 2.011 0.099 27 0 "[ . 1 . 2 . 3]" 1 69 PRO 0.051 0.023 10 0 "[ . 1 . 2 . 3]" 1 70 SER 0.329 0.068 21 0 "[ . 1 . 2 . 3]" 1 71 LEU 0.714 0.131 5 0 "[ . 1 . 2 . 3]" 1 72 VAL 0.775 0.072 16 0 "[ . 1 . 2 . 3]" 1 73 LYS 1.213 0.190 10 0 "[ . 1 . 2 . 3]" 1 74 ILE 0.748 0.190 10 0 "[ . 1 . 2 . 3]" 1 75 GLU 0.044 0.044 9 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 3 ASP H 1 50 PRO QG . . 7.480 4.778 2.545 6.686 . 0 0 "[ . 1 . 2 . 3]" 1 2 1 3 ASP QB 1 33 LEU QD . . 10.170 2.750 2.027 3.908 . 0 0 "[ . 1 . 2 . 3]" 1 3 1 3 ASP QB 1 49 ASP QB . . 8.480 6.089 4.823 6.816 . 0 0 "[ . 1 . 2 . 3]" 1 4 1 4 GLY H 1 5 VAL H . . 4.800 4.225 2.922 4.662 . 0 0 "[ . 1 . 2 . 3]" 1 5 1 4 GLY H 1 47 LYS QG . . 7.480 5.704 4.254 6.710 . 0 0 "[ . 1 . 2 . 3]" 1 6 1 4 GLY H 1 49 ASP HA . . 6.300 4.308 2.875 6.315 0.015 19 0 "[ . 1 . 2 . 3]" 1 7 1 4 GLY H 1 50 PRO QD . . 7.480 3.440 2.051 5.278 . 0 0 "[ . 1 . 2 . 3]" 1 8 1 4 GLY QA 1 48 TYR QE . . 9.480 4.700 2.907 7.083 . 0 0 "[ . 1 . 2 . 3]" 1 9 1 5 VAL H 1 5 VAL HB . . 4.100 3.363 2.604 3.966 . 0 0 "[ . 1 . 2 . 3]" 1 10 1 5 VAL H 1 6 LEU H . . 6.600 4.163 2.782 4.622 . 0 0 "[ . 1 . 2 . 3]" 1 11 1 5 VAL H 1 47 LYS QE . . 7.600 5.767 4.518 6.796 . 0 0 "[ . 1 . 2 . 3]" 1 12 1 5 VAL H 1 48 TYR QD . . 8.600 5.749 4.093 7.146 . 0 0 "[ . 1 . 2 . 3]" 1 13 1 5 VAL H 1 48 TYR QE . . 8.600 5.511 2.906 7.180 . 0 0 "[ . 1 . 2 . 3]" 1 14 1 5 VAL HA 1 46 ILE H . . 6.600 4.729 4.069 5.294 . 0 0 "[ . 1 . 2 . 3]" 1 15 1 5 VAL HA 1 47 LYS QG . . 7.480 3.082 2.350 3.734 . 0 0 "[ . 1 . 2 . 3]" 1 16 1 5 VAL HB 1 6 LEU H . . 5.400 3.953 2.990 4.591 . 0 0 "[ . 1 . 2 . 3]" 1 17 1 5 VAL HB 1 7 GLU QG . . 7.480 5.241 3.676 6.683 . 0 0 "[ . 1 . 2 . 3]" 1 18 1 5 VAL HB 1 47 LYS HA . . 6.600 4.440 2.583 6.439 . 0 0 "[ . 1 . 2 . 3]" 1 19 1 5 VAL QG 1 6 LEU H . . 7.340 3.042 2.271 3.814 . 0 0 "[ . 1 . 2 . 3]" 1 20 1 5 VAL QG 1 46 ILE H . . 9.160 4.345 2.629 5.641 . 0 0 "[ . 1 . 2 . 3]" 1 21 1 5 VAL QG 1 46 ILE HA . . 9.160 5.365 3.930 6.720 . 0 0 "[ . 1 . 2 . 3]" 1 22 1 5 VAL QG 1 48 TYR QD . . 11.160 5.254 3.967 6.369 . 0 0 "[ . 1 . 2 . 3]" 1 23 1 5 VAL MG1 1 6 LEU H . . 7.600 3.784 2.432 4.320 . 0 0 "[ . 1 . 2 . 3]" 1 24 1 5 VAL MG1 1 45 HIS HD2 . . 7.600 4.377 2.637 6.229 . 0 0 "[ . 1 . 2 . 3]" 1 25 1 5 VAL MG1 1 45 HIS HE1 . . 7.600 4.864 2.317 6.363 . 0 0 "[ . 1 . 2 . 3]" 1 26 1 5 VAL MG1 1 47 LYS HA . . 7.600 4.028 2.381 5.678 . 0 0 "[ . 1 . 2 . 3]" 1 27 1 5 VAL MG1 1 48 TYR QE . . 9.600 6.316 4.461 7.149 . 0 0 "[ . 1 . 2 . 3]" 1 28 1 5 VAL MG2 1 6 LEU H . . 7.600 3.592 2.286 4.458 . 0 0 "[ . 1 . 2 . 3]" 1 29 1 5 VAL MG2 1 45 HIS HD2 . . 7.600 4.266 2.322 6.256 . 0 0 "[ . 1 . 2 . 3]" 1 30 1 5 VAL MG2 1 45 HIS HE1 . . 7.600 4.856 2.513 6.360 . 0 0 "[ . 1 . 2 . 3]" 1 31 1 5 VAL MG2 1 47 LYS HA . . 7.600 4.094 2.351 6.075 . 0 0 "[ . 1 . 2 . 3]" 1 32 1 5 VAL MG2 1 48 TYR QE . . 9.600 6.111 4.463 7.149 . 0 0 "[ . 1 . 2 . 3]" 1 33 1 6 LEU H 1 6 LEU HG . . 4.200 4.003 2.825 4.302 0.102 1 0 "[ . 1 . 2 . 3]" 1 34 1 6 LEU H 1 7 GLU H . . 6.600 4.317 3.979 4.530 . 0 0 "[ . 1 . 2 . 3]" 1 35 1 6 LEU H 1 45 HIS HA . . 6.600 4.514 4.040 5.101 . 0 0 "[ . 1 . 2 . 3]" 1 36 1 6 LEU H 1 46 ILE H . . 4.700 3.232 2.761 4.118 . 0 0 "[ . 1 . 2 . 3]" 1 37 1 6 LEU H 1 46 ILE HB . . 5.200 4.064 3.430 5.037 . 0 0 "[ . 1 . 2 . 3]" 1 38 1 6 LEU H 1 46 ILE QG . . 7.600 5.698 4.943 6.514 . 0 0 "[ . 1 . 2 . 3]" 1 39 1 6 LEU H 1 47 LYS HA . . 5.400 3.702 3.155 4.204 . 0 0 "[ . 1 . 2 . 3]" 1 40 1 6 LEU H 1 48 TYR QD . . 8.600 4.079 2.634 5.436 . 0 0 "[ . 1 . 2 . 3]" 1 41 1 6 LEU H 1 48 TYR QE . . 8.600 4.151 2.832 5.355 . 0 0 "[ . 1 . 2 . 3]" 1 42 1 6 LEU HA 1 7 GLU QG . . 7.480 3.922 3.060 5.431 . 0 0 "[ . 1 . 2 . 3]" 1 43 1 6 LEU HA 1 48 TYR QD . . 8.600 6.138 4.804 7.119 . 0 0 "[ . 1 . 2 . 3]" 1 44 1 6 LEU HA 1 48 TYR QE . . 8.600 5.082 3.792 6.114 . 0 0 "[ . 1 . 2 . 3]" 1 45 1 6 LEU QB 1 7 GLU H . . 4.060 3.089 2.362 3.690 . 0 0 "[ . 1 . 2 . 3]" 1 46 1 6 LEU QB 1 46 ILE H . . 5.790 4.097 3.592 5.178 . 0 0 "[ . 1 . 2 . 3]" 1 47 1 6 LEU HB2 1 7 GLU H . . 4.300 3.882 2.384 4.411 0.111 19 0 "[ . 1 . 2 . 3]" 1 48 1 6 LEU HB2 1 46 ILE H . . 6.600 4.803 3.810 5.851 . 0 0 "[ . 1 . 2 . 3]" 1 49 1 6 LEU HB2 1 48 TYR QD . . 8.600 4.445 3.584 6.548 . 0 0 "[ . 1 . 2 . 3]" 1 50 1 6 LEU HB2 1 48 TYR QE . . 8.600 3.080 2.214 5.134 . 0 0 "[ . 1 . 2 . 3]" 1 51 1 6 LEU HB3 1 7 GLU H . . 4.300 3.476 2.469 4.249 . 0 0 "[ . 1 . 2 . 3]" 1 52 1 6 LEU HB3 1 46 ILE H . . 6.600 4.700 3.764 5.934 . 0 0 "[ . 1 . 2 . 3]" 1 53 1 6 LEU HB3 1 48 TYR QD . . 8.600 4.809 2.800 6.523 . 0 0 "[ . 1 . 2 . 3]" 1 54 1 6 LEU HB3 1 48 TYR QE . . 8.600 3.473 2.146 5.044 . 0 0 "[ . 1 . 2 . 3]" 1 55 1 6 LEU QD 1 48 TYR QD . . 11.170 3.606 2.199 4.550 . 0 0 "[ . 1 . 2 . 3]" 1 56 1 6 LEU QD 1 55 PRO HA . . 9.170 3.463 2.463 4.379 . 0 0 "[ . 1 . 2 . 3]" 1 57 1 6 LEU QD 1 55 PRO QB . . 8.330 2.610 2.164 3.231 . 0 0 "[ . 1 . 2 . 3]" 1 58 1 6 LEU QD 1 55 PRO QG . . 9.130 3.726 3.186 4.222 . 0 0 "[ . 1 . 2 . 3]" 1 59 1 6 LEU QD 1 58 ILE H . . 9.170 6.055 4.819 6.823 . 0 0 "[ . 1 . 2 . 3]" 1 60 1 6 LEU MD1 1 7 GLU H . . 7.600 3.897 2.016 5.233 . 0 0 "[ . 1 . 2 . 3]" 1 61 1 6 LEU MD1 1 48 TYR QE . . 9.600 3.141 2.048 4.649 . 0 0 "[ . 1 . 2 . 3]" 1 62 1 6 LEU MD1 1 55 PRO HB2 . . 9.350 5.051 3.193 6.619 . 0 0 "[ . 1 . 2 . 3]" 1 63 1 6 LEU MD1 1 55 PRO HB3 . . 9.350 3.785 2.217 5.127 . 0 0 "[ . 1 . 2 . 3]" 1 64 1 6 LEU MD1 1 55 PRO HG2 . . 10.740 6.006 4.521 7.182 . 0 0 "[ . 1 . 2 . 3]" 1 65 1 6 LEU MD1 1 55 PRO HG3 . . 10.740 4.904 3.661 6.059 . 0 0 "[ . 1 . 2 . 3]" 1 66 1 6 LEU MD2 1 7 GLU H . . 7.600 4.042 2.000 4.874 . 0 0 "[ . 1 . 2 . 3]" 1 67 1 6 LEU MD2 1 48 TYR QE . . 9.600 3.006 2.121 4.638 . 0 0 "[ . 1 . 2 . 3]" 1 68 1 6 LEU MD2 1 55 PRO HB2 . . 9.350 4.315 3.331 5.871 . 0 0 "[ . 1 . 2 . 3]" 1 69 1 6 LEU MD2 1 55 PRO HB3 . . 9.350 3.142 2.293 4.671 . 0 0 "[ . 1 . 2 . 3]" 1 70 1 6 LEU MD2 1 55 PRO HG2 . . 10.740 5.445 4.487 7.100 . 0 0 "[ . 1 . 2 . 3]" 1 71 1 6 LEU MD2 1 55 PRO HG3 . . 10.740 4.425 3.301 6.264 . 0 0 "[ . 1 . 2 . 3]" 1 72 1 6 LEU HG 1 7 GLU H . . 4.700 3.627 2.541 4.768 0.068 24 0 "[ . 1 . 2 . 3]" 1 73 1 6 LEU HG 1 55 PRO QB . . 7.480 5.327 4.693 6.238 . 0 0 "[ . 1 . 2 . 3]" 1 74 1 7 GLU H 1 7 GLU HG2 . . 5.100 3.772 2.791 4.568 . 0 0 "[ . 1 . 2 . 3]" 1 75 1 7 GLU H 1 7 GLU QG . . 4.870 3.001 2.432 4.082 . 0 0 "[ . 1 . 2 . 3]" 1 76 1 7 GLU H 1 7 GLU HG3 . . 5.100 3.193 2.492 4.597 . 0 0 "[ . 1 . 2 . 3]" 1 77 1 7 GLU H 1 8 LEU H . . 5.500 4.235 3.874 4.483 . 0 0 "[ . 1 . 2 . 3]" 1 78 1 7 GLU H 1 71 LEU HA . . 5.600 5.376 4.845 5.670 0.070 10 0 "[ . 1 . 2 . 3]" 1 79 1 7 GLU H 1 73 LYS H . . 5.200 4.611 3.062 5.240 0.040 14 0 "[ . 1 . 2 . 3]" 1 80 1 7 GLU HA 1 8 LEU H . . 3.100 2.187 2.114 2.304 . 0 0 "[ . 1 . 2 . 3]" 1 81 1 7 GLU HA 1 8 LEU QB . . 7.600 4.658 4.255 4.974 . 0 0 "[ . 1 . 2 . 3]" 1 82 1 7 GLU HA 1 8 LEU MD1 . . 7.600 5.033 3.040 5.580 . 0 0 "[ . 1 . 2 . 3]" 1 83 1 7 GLU HA 1 8 LEU MD2 . . 7.600 3.429 2.402 5.620 . 0 0 "[ . 1 . 2 . 3]" 1 84 1 7 GLU HA 1 8 LEU HG . . 6.600 4.183 3.697 5.922 . 0 0 "[ . 1 . 2 . 3]" 1 85 1 7 GLU HA 1 44 ALA H . . 6.600 4.451 3.806 4.867 . 0 0 "[ . 1 . 2 . 3]" 1 86 1 7 GLU HA 1 44 ALA HA . . 6.600 5.405 4.982 5.672 . 0 0 "[ . 1 . 2 . 3]" 1 87 1 7 GLU HA 1 44 ALA MB . . 7.600 4.527 3.998 4.821 . 0 0 "[ . 1 . 2 . 3]" 1 88 1 7 GLU HA 1 45 HIS H . . 5.900 4.642 4.255 4.901 . 0 0 "[ . 1 . 2 . 3]" 1 89 1 7 GLU HA 1 45 HIS HA . . 6.600 2.297 2.091 2.600 . 0 0 "[ . 1 . 2 . 3]" 1 90 1 7 GLU HA 1 45 HIS HD2 . . 6.600 5.478 4.722 6.068 . 0 0 "[ . 1 . 2 . 3]" 1 91 1 7 GLU HA 1 46 ILE H . . 4.800 3.369 2.866 3.668 . 0 0 "[ . 1 . 2 . 3]" 1 92 1 7 GLU HA 1 46 ILE MD . . 7.600 4.541 3.395 6.168 . 0 0 "[ . 1 . 2 . 3]" 1 93 1 7 GLU QB 1 43 LYS HE2 . . 7.600 3.613 2.793 4.851 . 0 0 "[ . 1 . 2 . 3]" 1 94 1 7 GLU QB 1 43 LYS HE3 . . 7.600 4.814 3.930 6.154 . 0 0 "[ . 1 . 2 . 3]" 1 95 1 7 GLU QB 1 44 ALA H . . 7.600 4.602 3.923 5.871 . 0 0 "[ . 1 . 2 . 3]" 1 96 1 7 GLU QB 1 45 HIS H . . 7.600 5.395 4.120 5.933 . 0 0 "[ . 1 . 2 . 3]" 1 97 1 7 GLU QB 1 45 HIS HA . . 7.600 3.736 2.195 4.220 . 0 0 "[ . 1 . 2 . 3]" 1 98 1 7 GLU QB 1 45 HIS HD2 . . 7.600 6.360 4.665 6.825 . 0 0 "[ . 1 . 2 . 3]" 1 99 1 7 GLU QG 1 8 LEU H . . 5.640 4.195 2.632 4.753 . 0 0 "[ . 1 . 2 . 3]" 1 100 1 7 GLU HG2 1 8 LEU H . . 5.900 4.522 2.873 5.884 . 0 0 "[ . 1 . 2 . 3]" 1 101 1 7 GLU HG2 1 45 HIS HA . . 6.600 2.906 2.243 5.076 . 0 0 "[ . 1 . 2 . 3]" 1 102 1 7 GLU HG2 1 45 HIS HD2 . . 6.600 5.098 4.064 6.630 0.030 2 0 "[ . 1 . 2 . 3]" 1 103 1 7 GLU HG3 1 8 LEU H . . 5.900 5.163 3.055 5.908 0.008 20 0 "[ . 1 . 2 . 3]" 1 104 1 7 GLU HG3 1 45 HIS HA . . 6.600 3.906 2.220 4.889 . 0 0 "[ . 1 . 2 . 3]" 1 105 1 7 GLU HG3 1 45 HIS HD2 . . 6.600 5.748 4.660 6.634 0.034 8 0 "[ . 1 . 2 . 3]" 1 106 1 8 LEU H 1 8 LEU MD1 . . 5.100 3.701 2.025 4.117 . 0 0 "[ . 1 . 2 . 3]" 1 107 1 8 LEU H 1 8 LEU MD2 . . 5.100 2.665 2.046 4.257 . 0 0 "[ . 1 . 2 . 3]" 1 108 1 8 LEU H 1 8 LEU HG . . 4.200 2.465 2.067 4.248 0.048 14 0 "[ . 1 . 2 . 3]" 1 109 1 8 LEU H 1 9 VAL H . . 5.500 4.322 4.130 4.503 . 0 0 "[ . 1 . 2 . 3]" 1 110 1 8 LEU H 1 9 VAL QG . . 9.160 4.721 4.442 5.550 . 0 0 "[ . 1 . 2 . 3]" 1 111 1 8 LEU H 1 43 LYS HA . . 6.600 4.729 4.281 5.282 . 0 0 "[ . 1 . 2 . 3]" 1 112 1 8 LEU H 1 44 ALA H . . 3.900 3.136 2.857 3.564 . 0 0 "[ . 1 . 2 . 3]" 1 113 1 8 LEU H 1 44 ALA MB . . 6.500 3.410 3.029 3.726 . 0 0 "[ . 1 . 2 . 3]" 1 114 1 8 LEU H 1 45 HIS HA . . 6.600 3.668 3.308 4.090 . 0 0 "[ . 1 . 2 . 3]" 1 115 1 8 LEU H 1 46 ILE H . . 6.600 4.338 3.586 5.049 . 0 0 "[ . 1 . 2 . 3]" 1 116 1 8 LEU H 1 46 ILE QG . . 7.600 5.290 4.489 6.012 . 0 0 "[ . 1 . 2 . 3]" 1 117 1 8 LEU H 1 71 LEU QB . . 7.600 6.090 5.285 6.788 . 0 0 "[ . 1 . 2 . 3]" 1 118 1 8 LEU HA 1 9 VAL H . . 3.100 2.152 2.081 2.260 . 0 0 "[ . 1 . 2 . 3]" 1 119 1 8 LEU HA 1 9 VAL HB . . 6.600 4.627 4.373 4.905 . 0 0 "[ . 1 . 2 . 3]" 1 120 1 8 LEU HA 1 9 VAL QG . . 9.160 3.525 3.138 4.045 . 0 0 "[ . 1 . 2 . 3]" 1 121 1 8 LEU HA 1 10 VAL MG1 . . 7.600 4.835 4.372 6.014 . 0 0 "[ . 1 . 2 . 3]" 1 122 1 8 LEU HA 1 10 VAL MG2 . . 7.600 5.862 5.392 6.387 . 0 0 "[ . 1 . 2 . 3]" 1 123 1 8 LEU HA 1 70 SER H . . 5.500 4.585 3.574 5.211 . 0 0 "[ . 1 . 2 . 3]" 1 124 1 8 LEU HA 1 71 LEU HA . . 6.600 2.390 2.113 2.784 . 0 0 "[ . 1 . 2 . 3]" 1 125 1 8 LEU HA 1 71 LEU QB . . 7.600 4.165 3.547 4.807 . 0 0 "[ . 1 . 2 . 3]" 1 126 1 8 LEU HA 1 71 LEU QD . . 9.170 4.372 2.429 5.444 . 0 0 "[ . 1 . 2 . 3]" 1 127 1 8 LEU HA 1 71 LEU HG . . 6.600 5.466 3.686 6.251 . 0 0 "[ . 1 . 2 . 3]" 1 128 1 8 LEU HA 1 72 VAL H . . 3.800 2.950 2.181 3.646 . 0 0 "[ . 1 . 2 . 3]" 1 129 1 8 LEU HA 1 72 VAL HA . . 6.600 5.555 4.172 6.251 . 0 0 "[ . 1 . 2 . 3]" 1 130 1 8 LEU QB 1 9 VAL H . . 4.900 3.072 2.522 3.574 . 0 0 "[ . 1 . 2 . 3]" 1 131 1 8 LEU QB 1 10 VAL QG . . 10.160 3.147 2.391 4.152 . 0 0 "[ . 1 . 2 . 3]" 1 132 1 8 LEU QB 1 44 ALA H . . 6.700 4.474 3.562 4.995 . 0 0 "[ . 1 . 2 . 3]" 1 133 1 8 LEU QB 1 44 ALA MB . . 8.600 3.920 2.488 4.734 . 0 0 "[ . 1 . 2 . 3]" 1 134 1 8 LEU QB 1 45 HIS HA . . 7.600 6.052 5.212 6.609 . 0 0 "[ . 1 . 2 . 3]" 1 135 1 8 LEU QB 1 59 ILE HB . . 7.600 6.806 6.501 6.859 . 0 0 "[ . 1 . 2 . 3]" 1 136 1 8 LEU QB 1 69 PRO HA . . 7.600 3.088 2.694 3.993 . 0 0 "[ . 1 . 2 . 3]" 1 137 1 8 LEU QB 1 70 SER H . . 6.700 3.404 2.475 4.299 . 0 0 "[ . 1 . 2 . 3]" 1 138 1 8 LEU QB 1 71 LEU HA . . 7.600 2.752 2.140 4.563 . 0 0 "[ . 1 . 2 . 3]" 1 139 1 8 LEU QD 1 9 VAL H . . 6.940 4.208 3.206 4.453 . 0 0 "[ . 1 . 2 . 3]" 1 140 1 8 LEU QD 1 9 VAL HA . . 9.170 5.093 3.709 5.541 . 0 0 "[ . 1 . 2 . 3]" 1 141 1 8 LEU QD 1 11 ARG H . . 9.170 5.926 4.978 6.461 . 0 0 "[ . 1 . 2 . 3]" 1 142 1 8 LEU QD 1 44 ALA H . . 8.570 4.062 2.700 5.064 . 0 0 "[ . 1 . 2 . 3]" 1 143 1 8 LEU QD 1 55 PRO HA . . 9.170 4.281 3.323 5.052 . 0 0 "[ . 1 . 2 . 3]" 1 144 1 8 LEU QD 1 59 ILE HA . . 9.170 3.660 3.197 4.241 . 0 0 "[ . 1 . 2 . 3]" 1 145 1 8 LEU QD 1 69 PRO QB . . 10.170 2.017 1.884 2.348 . 0 0 "[ . 1 . 2 . 3]" 1 146 1 8 LEU QD 1 70 SER QB . . 10.050 5.329 4.729 6.043 . 0 0 "[ . 1 . 2 . 3]" 1 147 1 8 LEU MD1 1 9 VAL H . . 7.500 4.850 4.495 5.438 . 0 0 "[ . 1 . 2 . 3]" 1 148 1 8 LEU MD1 1 44 ALA MB . . 8.600 2.935 2.274 3.680 . 0 0 "[ . 1 . 2 . 3]" 1 149 1 8 LEU MD1 1 69 PRO HA . . 7.600 3.352 2.587 5.298 . 0 0 "[ . 1 . 2 . 3]" 1 150 1 8 LEU MD1 1 70 SER H . . 7.600 4.632 3.444 6.245 . 0 0 "[ . 1 . 2 . 3]" 1 151 1 8 LEU MD1 1 71 LEU HA . . 7.600 4.724 4.086 5.512 . 0 0 "[ . 1 . 2 . 3]" 1 152 1 8 LEU MD2 1 9 VAL H . . 7.500 4.779 3.264 5.126 . 0 0 "[ . 1 . 2 . 3]" 1 153 1 8 LEU MD2 1 44 ALA MB . . 8.600 3.473 2.044 5.062 . 0 0 "[ . 1 . 2 . 3]" 1 154 1 8 LEU MD2 1 69 PRO HA . . 7.600 5.001 2.187 5.758 . 0 0 "[ . 1 . 2 . 3]" 1 155 1 8 LEU MD2 1 70 SER H . . 7.600 5.566 2.286 6.348 . 0 0 "[ . 1 . 2 . 3]" 1 156 1 8 LEU MD2 1 71 LEU HA . . 7.600 3.857 2.245 4.740 . 0 0 "[ . 1 . 2 . 3]" 1 157 1 8 LEU HG 1 9 VAL H . . 4.700 4.737 4.643 4.768 0.068 6 0 "[ . 1 . 2 . 3]" 1 158 1 8 LEU HG 1 46 ILE MG . . 7.600 5.754 5.175 6.356 . 0 0 "[ . 1 . 2 . 3]" 1 159 1 8 LEU HG 1 71 LEU HA . . 6.600 5.015 3.502 5.887 . 0 0 "[ . 1 . 2 . 3]" 1 160 1 9 VAL H 1 9 VAL HB . . 3.300 2.546 2.341 3.197 . 0 0 "[ . 1 . 2 . 3]" 1 161 1 9 VAL H 1 9 VAL MG1 . . 4.700 3.684 1.985 3.840 . 0 0 "[ . 1 . 2 . 3]" 1 162 1 9 VAL H 1 9 VAL MG2 . . 4.700 2.447 2.084 3.890 . 0 0 "[ . 1 . 2 . 3]" 1 163 1 9 VAL H 1 10 VAL H . . 6.300 4.349 4.156 4.533 . 0 0 "[ . 1 . 2 . 3]" 1 164 1 9 VAL H 1 10 VAL QG . . 9.160 4.268 4.067 4.644 . 0 0 "[ . 1 . 2 . 3]" 1 165 1 9 VAL H 1 43 LYS HA . . 6.600 4.703 4.497 4.825 . 0 0 "[ . 1 . 2 . 3]" 1 166 1 9 VAL H 1 44 ALA MB . . 7.600 5.646 5.285 6.138 . 0 0 "[ . 1 . 2 . 3]" 1 167 1 9 VAL H 1 69 PRO HA . . 6.000 4.551 4.059 4.851 . 0 0 "[ . 1 . 2 . 3]" 1 168 1 9 VAL H 1 69 PRO QB . . 7.600 5.320 4.860 5.766 . 0 0 "[ . 1 . 2 . 3]" 1 169 1 9 VAL H 1 70 SER H . . 3.800 3.348 2.591 3.712 . 0 0 "[ . 1 . 2 . 3]" 1 170 1 9 VAL H 1 70 SER HB2 . . 6.300 4.002 2.927 5.161 . 0 0 "[ . 1 . 2 . 3]" 1 171 1 9 VAL H 1 70 SER HB3 . . 6.300 4.273 3.132 5.321 . 0 0 "[ . 1 . 2 . 3]" 1 172 1 9 VAL H 1 71 LEU HA . . 4.700 3.594 3.263 3.946 . 0 0 "[ . 1 . 2 . 3]" 1 173 1 9 VAL H 1 71 LEU QB . . 7.600 5.246 4.877 5.597 . 0 0 "[ . 1 . 2 . 3]" 1 174 1 9 VAL H 1 72 VAL H . . 5.500 3.115 2.482 4.195 . 0 0 "[ . 1 . 2 . 3]" 1 175 1 9 VAL H 1 72 VAL HA . . 6.400 5.457 4.061 6.150 . 0 0 "[ . 1 . 2 . 3]" 1 176 1 9 VAL H 1 72 VAL HB . . 6.600 4.226 2.998 5.837 . 0 0 "[ . 1 . 2 . 3]" 1 177 1 9 VAL HA 1 10 VAL H . . 3.000 2.174 2.023 2.281 . 0 0 "[ . 1 . 2 . 3]" 1 178 1 9 VAL HA 1 10 VAL HA . . 6.600 4.487 4.379 4.540 . 0 0 "[ . 1 . 2 . 3]" 1 179 1 9 VAL HA 1 10 VAL MG1 . . 7.600 3.999 3.388 4.767 . 0 0 "[ . 1 . 2 . 3]" 1 180 1 9 VAL HA 1 10 VAL MG2 . . 7.600 3.484 3.131 5.402 . 0 0 "[ . 1 . 2 . 3]" 1 181 1 9 VAL HA 1 42 ASN QB . . 7.480 4.379 3.938 5.228 . 0 0 "[ . 1 . 2 . 3]" 1 182 1 9 VAL HA 1 43 LYS H . . 6.600 4.721 4.405 4.870 . 0 0 "[ . 1 . 2 . 3]" 1 183 1 9 VAL HA 1 43 LYS HA . . 6.600 2.149 1.992 2.271 . 0 0 "[ . 1 . 2 . 3]" 1 184 1 9 VAL HA 1 43 LYS HB2 . . 6.600 3.391 2.130 5.104 . 0 0 "[ . 1 . 2 . 3]" 1 185 1 9 VAL HA 1 43 LYS HB3 . . 6.600 3.861 2.284 4.826 . 0 0 "[ . 1 . 2 . 3]" 1 186 1 9 VAL HA 1 43 LYS QD . . 7.600 5.283 4.021 6.178 . 0 0 "[ . 1 . 2 . 3]" 1 187 1 9 VAL HA 1 43 LYS QG . . 7.600 3.985 2.544 5.294 . 0 0 "[ . 1 . 2 . 3]" 1 188 1 9 VAL HA 1 44 ALA H . . 4.300 3.410 3.080 3.677 . 0 0 "[ . 1 . 2 . 3]" 1 189 1 9 VAL HB 1 10 VAL H . . 4.600 4.355 3.939 4.533 . 0 0 "[ . 1 . 2 . 3]" 1 190 1 9 VAL HB 1 44 ALA H . . 6.400 6.139 4.875 6.412 0.012 13 0 "[ . 1 . 2 . 3]" 1 191 1 9 VAL HB 1 70 SER H . . 6.600 3.857 3.395 5.459 . 0 0 "[ . 1 . 2 . 3]" 1 192 1 9 VAL HB 1 70 SER HB2 . . 6.600 3.302 2.148 6.308 . 0 0 "[ . 1 . 2 . 3]" 1 193 1 9 VAL HB 1 70 SER HB3 . . 6.600 3.692 2.196 6.620 0.020 28 0 "[ . 1 . 2 . 3]" 1 194 1 9 VAL QG 1 11 ARG H . . 9.160 3.598 2.902 4.298 . 0 0 "[ . 1 . 2 . 3]" 1 195 1 9 VAL QG 1 11 ARG QG . . 10.040 3.070 2.155 4.546 . 0 0 "[ . 1 . 2 . 3]" 1 196 1 9 VAL QG 1 13 MET H . . 9.160 6.221 5.612 6.668 . 0 0 "[ . 1 . 2 . 3]" 1 197 1 9 VAL QG 1 13 MET ME . . 10.160 5.373 4.485 6.290 . 0 0 "[ . 1 . 2 . 3]" 1 198 1 9 VAL QG 1 42 ASN QB . . 9.120 2.752 2.162 3.825 . 0 0 "[ . 1 . 2 . 3]" 1 199 1 9 VAL QG 1 42 ASN QD . . 10.030 4.903 3.357 5.564 . 0 0 "[ . 1 . 2 . 3]" 1 200 1 9 VAL QG 1 69 PRO HA . . 9.160 4.997 4.343 5.319 . 0 0 "[ . 1 . 2 . 3]" 1 201 1 9 VAL QG 1 70 SER QB . . 7.870 3.260 2.036 4.217 . 0 0 "[ . 1 . 2 . 3]" 1 202 1 9 VAL QG 1 71 LEU HA . . 9.160 4.598 3.886 5.090 . 0 0 "[ . 1 . 2 . 3]" 1 203 1 9 VAL QG 1 73 LYS QB . . 10.040 5.430 2.075 6.467 . 0 0 "[ . 1 . 2 . 3]" 1 204 1 9 VAL MG1 1 10 VAL H . . 5.900 3.150 2.722 4.362 . 0 0 "[ . 1 . 2 . 3]" 1 205 1 9 VAL MG1 1 42 ASN HB2 . . 10.720 3.142 2.353 5.087 . 0 0 "[ . 1 . 2 . 3]" 1 206 1 9 VAL MG1 1 42 ASN HB3 . . 10.720 3.714 2.609 6.229 . 0 0 "[ . 1 . 2 . 3]" 1 207 1 9 VAL MG1 1 43 LYS H . . 7.600 4.833 4.262 6.397 . 0 0 "[ . 1 . 2 . 3]" 1 208 1 9 VAL MG1 1 43 LYS HA . . 7.600 3.629 3.173 4.879 . 0 0 "[ . 1 . 2 . 3]" 1 209 1 9 VAL MG1 1 43 LYS HE2 . . 7.600 5.501 4.545 6.295 . 0 0 "[ . 1 . 2 . 3]" 1 210 1 9 VAL MG1 1 43 LYS HE3 . . 7.600 6.093 4.769 6.388 . 0 0 "[ . 1 . 2 . 3]" 1 211 1 9 VAL MG1 1 43 LYS QG . . 8.600 4.572 3.219 6.073 . 0 0 "[ . 1 . 2 . 3]" 1 212 1 9 VAL MG1 1 44 ALA H . . 7.600 5.151 4.710 5.829 . 0 0 "[ . 1 . 2 . 3]" 1 213 1 9 VAL MG1 1 70 SER H . . 7.600 4.336 3.214 4.818 . 0 0 "[ . 1 . 2 . 3]" 1 214 1 9 VAL MG1 1 70 SER HB2 . . 9.350 4.083 2.292 5.550 . 0 0 "[ . 1 . 2 . 3]" 1 215 1 9 VAL MG1 1 70 SER HB3 . . 9.350 4.491 2.055 6.284 . 0 0 "[ . 1 . 2 . 3]" 1 216 1 9 VAL MG2 1 10 VAL H . . 5.900 4.088 2.829 4.384 . 0 0 "[ . 1 . 2 . 3]" 1 217 1 9 VAL MG2 1 42 ASN HB2 . . 10.720 4.905 2.204 6.632 . 0 0 "[ . 1 . 2 . 3]" 1 218 1 9 VAL MG2 1 42 ASN HB3 . . 10.720 5.582 3.212 6.780 . 0 0 "[ . 1 . 2 . 3]" 1 219 1 9 VAL MG2 1 43 LYS H . . 7.600 5.308 3.814 5.875 . 0 0 "[ . 1 . 2 . 3]" 1 220 1 9 VAL MG2 1 43 LYS HA . . 7.600 3.622 3.193 4.048 . 0 0 "[ . 1 . 2 . 3]" 1 221 1 9 VAL MG2 1 43 LYS HE2 . . 7.600 4.195 2.470 5.779 . 0 0 "[ . 1 . 2 . 3]" 1 222 1 9 VAL MG2 1 43 LYS HE3 . . 7.600 5.124 2.962 6.347 . 0 0 "[ . 1 . 2 . 3]" 1 223 1 9 VAL MG2 1 43 LYS QG . . 8.600 3.761 2.282 5.346 . 0 0 "[ . 1 . 2 . 3]" 1 224 1 9 VAL MG2 1 44 ALA H . . 7.600 4.689 4.304 5.172 . 0 0 "[ . 1 . 2 . 3]" 1 225 1 9 VAL MG2 1 70 SER H . . 7.600 4.803 4.082 5.276 . 0 0 "[ . 1 . 2 . 3]" 1 226 1 9 VAL MG2 1 70 SER HB2 . . 9.350 4.472 3.516 5.614 . 0 0 "[ . 1 . 2 . 3]" 1 227 1 9 VAL MG2 1 70 SER HB3 . . 9.350 4.652 3.553 6.204 . 0 0 "[ . 1 . 2 . 3]" 1 228 1 10 VAL H 1 10 VAL HB . . 3.500 3.542 3.258 3.606 0.106 29 0 "[ . 1 . 2 . 3]" 1 229 1 10 VAL H 1 10 VAL QG . . 4.240 1.915 1.829 2.209 . 0 0 "[ . 1 . 2 . 3]" 1 230 1 10 VAL H 1 11 ARG H . . 5.000 3.914 3.562 4.167 . 0 0 "[ . 1 . 2 . 3]" 1 231 1 10 VAL H 1 13 MET ME . . 7.600 4.652 3.433 5.878 . 0 0 "[ . 1 . 2 . 3]" 1 232 1 10 VAL H 1 42 ASN HA . . 5.900 4.604 4.180 5.020 . 0 0 "[ . 1 . 2 . 3]" 1 233 1 10 VAL H 1 42 ASN HB2 . . 5.200 4.471 3.864 5.291 0.091 26 0 "[ . 1 . 2 . 3]" 1 234 1 10 VAL H 1 42 ASN QB . . 4.930 3.636 3.083 4.226 . 0 0 "[ . 1 . 2 . 3]" 1 235 1 10 VAL H 1 42 ASN HB3 . . 5.200 3.890 3.148 4.596 . 0 0 "[ . 1 . 2 . 3]" 1 236 1 10 VAL H 1 42 ASN QD . . 7.470 5.888 4.304 6.690 . 0 0 "[ . 1 . 2 . 3]" 1 237 1 10 VAL H 1 43 LYS H . . 6.600 4.432 4.177 4.801 . 0 0 "[ . 1 . 2 . 3]" 1 238 1 10 VAL H 1 43 LYS HA . . 3.800 2.447 1.986 3.242 . 0 0 "[ . 1 . 2 . 3]" 1 239 1 10 VAL H 1 43 LYS HB2 . . 6.600 4.544 3.742 5.974 . 0 0 "[ . 1 . 2 . 3]" 1 240 1 10 VAL H 1 43 LYS QB . . 6.100 4.130 3.559 5.181 . 0 0 "[ . 1 . 2 . 3]" 1 241 1 10 VAL H 1 43 LYS HB3 . . 6.600 4.899 3.924 5.681 . 0 0 "[ . 1 . 2 . 3]" 1 242 1 10 VAL H 1 43 LYS QG . . 7.600 4.869 3.878 5.664 . 0 0 "[ . 1 . 2 . 3]" 1 243 1 10 VAL H 1 44 ALA H . . 6.600 3.489 3.070 3.917 . 0 0 "[ . 1 . 2 . 3]" 1 244 1 10 VAL H 1 44 ALA MB . . 7.600 4.245 3.835 5.158 . 0 0 "[ . 1 . 2 . 3]" 1 245 1 10 VAL H 1 69 PRO HA . . 5.500 4.509 4.186 4.757 . 0 0 "[ . 1 . 2 . 3]" 1 246 1 10 VAL HA 1 11 ARG H . . 3.200 2.289 2.163 2.455 . 0 0 "[ . 1 . 2 . 3]" 1 247 1 10 VAL HA 1 22 ILE MD . . 7.600 4.891 4.407 5.965 . 0 0 "[ . 1 . 2 . 3]" 1 248 1 10 VAL HA 1 67 PHE QD . . 8.600 5.596 4.738 6.210 . 0 0 "[ . 1 . 2 . 3]" 1 249 1 10 VAL HA 1 68 GLU H . . 4.200 4.081 3.659 4.250 0.050 21 0 "[ . 1 . 2 . 3]" 1 250 1 10 VAL HA 1 69 PRO HA . . 6.600 2.331 2.141 2.499 . 0 0 "[ . 1 . 2 . 3]" 1 251 1 10 VAL HA 1 69 PRO QB . . 7.600 3.815 3.341 4.075 . 0 0 "[ . 1 . 2 . 3]" 1 252 1 10 VAL HA 1 69 PRO QD . . 7.600 4.438 4.126 4.707 . 0 0 "[ . 1 . 2 . 3]" 1 253 1 10 VAL HA 1 69 PRO HG2 . . 6.600 5.902 5.617 6.126 . 0 0 "[ . 1 . 2 . 3]" 1 254 1 10 VAL HA 1 69 PRO HG3 . . 6.600 5.846 5.452 6.162 . 0 0 "[ . 1 . 2 . 3]" 1 255 1 10 VAL HA 1 70 SER H . . 4.000 3.342 3.020 3.992 . 0 0 "[ . 1 . 2 . 3]" 1 256 1 10 VAL HB 1 11 ARG H . . 4.900 4.145 3.933 4.424 . 0 0 "[ . 1 . 2 . 3]" 1 257 1 10 VAL HB 1 13 MET ME . . 7.600 4.394 2.836 5.988 . 0 0 "[ . 1 . 2 . 3]" 1 258 1 10 VAL HB 1 44 ALA MB . . 7.600 4.125 3.778 4.761 . 0 0 "[ . 1 . 2 . 3]" 1 259 1 10 VAL HB 1 69 PRO HA . . 6.600 4.245 2.624 4.688 . 0 0 "[ . 1 . 2 . 3]" 1 260 1 10 VAL QG 1 11 ARG H . . 6.750 3.762 3.415 3.856 . 0 0 "[ . 1 . 2 . 3]" 1 261 1 10 VAL QG 1 13 MET H . . 9.160 4.036 3.575 4.498 . 0 0 "[ . 1 . 2 . 3]" 1 262 1 10 VAL QG 1 13 MET QB . . 10.040 3.682 3.155 4.205 . 0 0 "[ . 1 . 2 . 3]" 1 263 1 10 VAL QG 1 13 MET QG . . 10.040 2.460 1.930 3.565 . 0 0 "[ . 1 . 2 . 3]" 1 264 1 10 VAL QG 1 42 ASN QD . . 10.030 4.625 3.188 6.001 . 0 0 "[ . 1 . 2 . 3]" 1 265 1 10 VAL QG 1 43 LYS HA . . 9.160 2.509 2.166 3.206 . 0 0 "[ . 1 . 2 . 3]" 1 266 1 10 VAL QG 1 44 ALA H . . 9.160 2.470 2.246 2.794 . 0 0 "[ . 1 . 2 . 3]" 1 267 1 10 VAL QG 1 44 ALA MB . . 10.160 2.042 1.845 2.585 . 0 0 "[ . 1 . 2 . 3]" 1 268 1 10 VAL QG 1 67 PHE HA . . 9.160 5.307 4.288 5.693 . 0 0 "[ . 1 . 2 . 3]" 1 269 1 10 VAL QG 1 67 PHE QB . . 9.120 3.164 2.234 3.446 . 0 0 "[ . 1 . 2 . 3]" 1 270 1 10 VAL QG 1 67 PHE QE . . 11.160 5.021 4.247 5.312 . 0 0 "[ . 1 . 2 . 3]" 1 271 1 10 VAL QG 1 68 GLU H . . 7.340 4.648 3.442 5.049 . 0 0 "[ . 1 . 2 . 3]" 1 272 1 10 VAL QG 1 68 GLU HA . . 9.160 5.211 4.459 5.544 . 0 0 "[ . 1 . 2 . 3]" 1 273 1 10 VAL QG 1 69 PRO QB . . 10.160 2.440 2.106 2.878 . 0 0 "[ . 1 . 2 . 3]" 1 274 1 10 VAL QG 1 69 PRO QD . . 10.160 3.839 2.867 4.347 . 0 0 "[ . 1 . 2 . 3]" 1 275 1 10 VAL QG 1 69 PRO QG . . 10.040 4.089 3.597 4.543 . 0 0 "[ . 1 . 2 . 3]" 1 276 1 10 VAL MG1 1 11 ARG H . . 7.500 4.134 3.636 4.400 . 0 0 "[ . 1 . 2 . 3]" 1 277 1 10 VAL MG1 1 13 MET ME . . 8.600 4.480 3.364 5.535 . 0 0 "[ . 1 . 2 . 3]" 1 278 1 10 VAL MG1 1 67 PHE HB2 . . 10.720 3.656 2.842 4.981 . 0 0 "[ . 1 . 2 . 3]" 1 279 1 10 VAL MG1 1 67 PHE HB3 . . 10.720 4.078 2.888 4.757 . 0 0 "[ . 1 . 2 . 3]" 1 280 1 10 VAL MG1 1 67 PHE QD . . 9.600 4.333 3.162 4.972 . 0 0 "[ . 1 . 2 . 3]" 1 281 1 10 VAL MG1 1 68 GLU H . . 7.600 4.991 3.977 5.815 . 0 0 "[ . 1 . 2 . 3]" 1 282 1 10 VAL MG1 1 69 PRO HA . . 7.600 2.419 2.164 4.155 . 0 0 "[ . 1 . 2 . 3]" 1 283 1 10 VAL MG1 1 70 SER H . . 7.500 4.016 3.632 4.947 . 0 0 "[ . 1 . 2 . 3]" 1 284 1 10 VAL MG2 1 11 ARG H . . 7.500 4.360 3.558 4.557 . 0 0 "[ . 1 . 2 . 3]" 1 285 1 10 VAL MG2 1 13 MET ME . . 8.600 2.574 1.838 4.281 . 0 0 "[ . 1 . 2 . 3]" 1 286 1 10 VAL MG2 1 67 PHE HB2 . . 10.720 4.651 2.571 5.280 . 0 0 "[ . 1 . 2 . 3]" 1 287 1 10 VAL MG2 1 67 PHE HB3 . . 10.720 4.349 2.467 4.902 . 0 0 "[ . 1 . 2 . 3]" 1 288 1 10 VAL MG2 1 67 PHE QD . . 9.600 4.742 3.270 5.403 . 0 0 "[ . 1 . 2 . 3]" 1 289 1 10 VAL MG2 1 68 GLU H . . 7.600 5.747 3.468 6.083 . 0 0 "[ . 1 . 2 . 3]" 1 290 1 10 VAL MG2 1 69 PRO HA . . 7.600 4.499 2.990 4.781 . 0 0 "[ . 1 . 2 . 3]" 1 291 1 10 VAL MG2 1 70 SER H . . 7.500 5.360 4.761 5.702 . 0 0 "[ . 1 . 2 . 3]" 1 292 1 11 ARG H 1 11 ARG HG2 . . 4.200 3.070 1.974 4.199 . 0 0 "[ . 1 . 2 . 3]" 1 293 1 11 ARG H 1 11 ARG QG . . 3.960 2.399 1.963 3.428 . 0 0 "[ . 1 . 2 . 3]" 1 294 1 11 ARG H 1 11 ARG HG3 . . 4.200 2.952 2.008 4.200 . 0 0 "[ . 1 . 2 . 3]" 1 295 1 11 ARG H 1 12 GLY H . . 5.300 4.576 4.139 4.669 . 0 0 "[ . 1 . 2 . 3]" 1 296 1 11 ARG H 1 67 PHE QB . . 7.180 4.080 3.790 4.543 . 0 0 "[ . 1 . 2 . 3]" 1 297 1 11 ARG H 1 68 GLU HB2 . . 5.000 3.144 2.360 4.412 . 0 0 "[ . 1 . 2 . 3]" 1 298 1 11 ARG H 1 68 GLU QB . . 4.680 2.954 2.329 3.733 . 0 0 "[ . 1 . 2 . 3]" 1 299 1 11 ARG H 1 68 GLU HB3 . . 5.000 4.111 2.906 4.829 . 0 0 "[ . 1 . 2 . 3]" 1 300 1 11 ARG H 1 69 PRO HA . . 4.000 3.857 3.463 4.023 0.023 10 0 "[ . 1 . 2 . 3]" 1 301 1 11 ARG H 1 70 SER H . . 6.600 3.690 2.983 5.034 . 0 0 "[ . 1 . 2 . 3]" 1 302 1 11 ARG HA 1 13 MET H . . 4.600 3.646 3.255 4.432 . 0 0 "[ . 1 . 2 . 3]" 1 303 1 11 ARG HA 1 42 ASN QB . . 7.480 2.838 2.257 3.428 . 0 0 "[ . 1 . 2 . 3]" 1 304 1 11 ARG HA 1 42 ASN HD21 . . 6.600 4.581 2.500 6.453 . 0 0 "[ . 1 . 2 . 3]" 1 305 1 11 ARG HA 1 42 ASN HD22 . . 6.600 5.289 3.361 6.603 0.003 5 0 "[ . 1 . 2 . 3]" 1 306 1 11 ARG HA 1 68 GLU H . . 5.400 4.708 4.452 5.011 . 0 0 "[ . 1 . 2 . 3]" 1 307 1 11 ARG QB 1 13 MET H . . 7.600 4.926 4.613 5.646 . 0 0 "[ . 1 . 2 . 3]" 1 308 1 11 ARG QD 1 69 PRO HA . . 7.600 6.092 4.185 6.808 . 0 0 "[ . 1 . 2 . 3]" 1 309 1 11 ARG QG 1 67 PHE QB . . 8.350 5.356 4.347 6.209 . 0 0 "[ . 1 . 2 . 3]" 1 310 1 11 ARG QG 1 68 GLU H . . 7.480 4.188 3.042 5.452 . 0 0 "[ . 1 . 2 . 3]" 1 311 1 11 ARG QG 1 68 GLU QB . . 8.350 2.840 1.922 4.474 . 0 0 "[ . 1 . 2 . 3]" 1 312 1 11 ARG HG2 1 12 GLY H . . 6.600 4.801 3.626 5.556 . 0 0 "[ . 1 . 2 . 3]" 1 313 1 11 ARG HG3 1 12 GLY H . . 6.600 4.753 3.806 5.870 . 0 0 "[ . 1 . 2 . 3]" 1 314 1 12 GLY H 1 13 MET H . . 4.100 2.677 2.042 3.215 . 0 0 "[ . 1 . 2 . 3]" 1 315 1 12 GLY H 1 13 MET QG . . 7.480 4.105 3.199 4.788 . 0 0 "[ . 1 . 2 . 3]" 1 316 1 12 GLY H 1 42 ASN QB . . 7.480 3.888 3.289 4.719 . 0 0 "[ . 1 . 2 . 3]" 1 317 1 12 GLY QA 1 13 MET QG . . 8.480 4.440 4.034 4.872 . 0 0 "[ . 1 . 2 . 3]" 1 318 1 12 GLY QA 1 67 PHE H . . 7.300 5.663 4.801 6.219 . 0 0 "[ . 1 . 2 . 3]" 1 319 1 12 GLY QA 1 67 PHE QD . . 9.600 2.421 2.218 3.553 . 0 0 "[ . 1 . 2 . 3]" 1 320 1 12 GLY QA 1 67 PHE QE . . 9.600 4.119 3.575 5.238 . 0 0 "[ . 1 . 2 . 3]" 1 321 1 12 GLY QA 1 68 GLU H . . 6.600 3.698 3.307 4.133 . 0 0 "[ . 1 . 2 . 3]" 1 322 1 13 MET H 1 13 MET ME . . 5.200 4.369 4.115 4.472 . 0 0 "[ . 1 . 2 . 3]" 1 323 1 13 MET H 1 13 MET HG2 . . 3.500 3.029 2.171 3.539 0.039 1 0 "[ . 1 . 2 . 3]" 1 324 1 13 MET H 1 13 MET HG3 . . 3.500 2.504 1.959 3.514 0.014 15 0 "[ . 1 . 2 . 3]" 1 325 1 13 MET H 1 14 THR H . . 5.600 4.555 4.038 4.672 . 0 0 "[ . 1 . 2 . 3]" 1 326 1 13 MET H 1 14 THR MG . . 7.600 5.312 4.255 5.994 . 0 0 "[ . 1 . 2 . 3]" 1 327 1 13 MET H 1 18 CYS QB . . 7.180 4.640 4.353 5.166 . 0 0 "[ . 1 . 2 . 3]" 1 328 1 13 MET H 1 22 ILE MD . . 7.600 4.443 3.964 5.183 . 0 0 "[ . 1 . 2 . 3]" 1 329 1 13 MET H 1 39 LEU QD . . 9.170 6.203 4.542 6.865 . 0 0 "[ . 1 . 2 . 3]" 1 330 1 13 MET H 1 67 PHE HA . . 5.800 4.747 4.196 5.625 . 0 0 "[ . 1 . 2 . 3]" 1 331 1 13 MET H 1 67 PHE QD . . 8.500 3.244 2.653 3.961 . 0 0 "[ . 1 . 2 . 3]" 1 332 1 13 MET H 1 67 PHE QE . . 8.600 4.287 3.847 5.152 . 0 0 "[ . 1 . 2 . 3]" 1 333 1 13 MET HA 1 14 THR H . . 3.600 2.256 2.180 2.409 . 0 0 "[ . 1 . 2 . 3]" 1 334 1 13 MET HA 1 15 CYS H . . 4.500 4.048 3.643 4.515 0.015 15 0 "[ . 1 . 2 . 3]" 1 335 1 13 MET HA 1 18 CYS HB2 . . 6.600 3.319 2.650 4.377 . 0 0 "[ . 1 . 2 . 3]" 1 336 1 13 MET HA 1 18 CYS HB3 . . 6.600 2.950 2.227 4.949 . 0 0 "[ . 1 . 2 . 3]" 1 337 1 13 MET HA 1 67 PHE QD . . 8.600 3.567 3.147 4.124 . 0 0 "[ . 1 . 2 . 3]" 1 338 1 13 MET HA 1 67 PHE QE . . 8.600 2.758 2.383 3.818 . 0 0 "[ . 1 . 2 . 3]" 1 339 1 13 MET QB 1 15 CYS H . . 5.680 3.830 2.846 4.702 . 0 0 "[ . 1 . 2 . 3]" 1 340 1 13 MET QB 1 18 CYS QB . . 6.970 2.101 1.869 2.703 . 0 0 "[ . 1 . 2 . 3]" 1 341 1 13 MET QB 1 22 ILE MD . . 8.480 2.881 2.149 4.124 . 0 0 "[ . 1 . 2 . 3]" 1 342 1 13 MET QB 1 67 PHE HZ . . 7.480 4.000 3.155 5.594 . 0 0 "[ . 1 . 2 . 3]" 1 343 1 13 MET HB2 1 14 THR H . . 5.800 3.405 2.419 4.499 . 0 0 "[ . 1 . 2 . 3]" 1 344 1 13 MET HB2 1 18 CYS HB2 . . 8.350 2.915 2.096 4.584 . 0 0 "[ . 1 . 2 . 3]" 1 345 1 13 MET HB2 1 18 CYS HB3 . . 8.350 2.840 2.080 4.610 . 0 0 "[ . 1 . 2 . 3]" 1 346 1 13 MET HB2 1 67 PHE QD . . 8.600 4.707 3.394 5.644 . 0 0 "[ . 1 . 2 . 3]" 1 347 1 13 MET HB2 1 67 PHE QE . . 8.600 4.251 3.040 5.589 . 0 0 "[ . 1 . 2 . 3]" 1 348 1 13 MET HB3 1 14 THR H . . 5.800 3.938 2.339 4.672 . 0 0 "[ . 1 . 2 . 3]" 1 349 1 13 MET HB3 1 18 CYS HB2 . . 8.350 3.488 2.314 4.694 . 0 0 "[ . 1 . 2 . 3]" 1 350 1 13 MET HB3 1 18 CYS HB3 . . 8.350 2.929 2.483 3.741 . 0 0 "[ . 1 . 2 . 3]" 1 351 1 13 MET HB3 1 67 PHE QD . . 8.600 3.818 2.723 5.516 . 0 0 "[ . 1 . 2 . 3]" 1 352 1 13 MET HB3 1 67 PHE QE . . 8.600 3.658 2.744 4.902 . 0 0 "[ . 1 . 2 . 3]" 1 353 1 13 MET ME 1 14 THR HA . . 7.600 4.896 3.142 6.123 . 0 0 "[ . 1 . 2 . 3]" 1 354 1 13 MET ME 1 18 CYS QB . . 8.480 3.756 2.384 5.006 . 0 0 "[ . 1 . 2 . 3]" 1 355 1 13 MET ME 1 22 ILE HB . . 7.600 4.691 3.667 5.597 . 0 0 "[ . 1 . 2 . 3]" 1 356 1 13 MET ME 1 22 ILE MD . . 8.600 2.987 2.008 3.585 . 0 0 "[ . 1 . 2 . 3]" 1 357 1 13 MET ME 1 37 VAL HA . . 7.600 4.139 3.207 5.051 . 0 0 "[ . 1 . 2 . 3]" 1 358 1 13 MET ME 1 37 VAL QG . . 10.160 2.244 1.867 2.925 . 0 0 "[ . 1 . 2 . 3]" 1 359 1 13 MET ME 1 39 LEU H . . 7.600 3.426 2.863 4.050 . 0 0 "[ . 1 . 2 . 3]" 1 360 1 13 MET ME 1 39 LEU HA . . 7.600 2.428 2.075 3.388 . 0 0 "[ . 1 . 2 . 3]" 1 361 1 13 MET ME 1 39 LEU QD . . 10.170 3.277 2.103 4.486 . 0 0 "[ . 1 . 2 . 3]" 1 362 1 13 MET ME 1 40 ALA H . . 7.600 4.917 4.535 5.700 . 0 0 "[ . 1 . 2 . 3]" 1 363 1 13 MET ME 1 41 THR H . . 7.600 5.156 4.376 6.340 . 0 0 "[ . 1 . 2 . 3]" 1 364 1 13 MET ME 1 42 ASN H . . 6.600 4.228 3.233 5.315 . 0 0 "[ . 1 . 2 . 3]" 1 365 1 13 MET ME 1 42 ASN HA . . 7.600 2.692 2.018 3.866 . 0 0 "[ . 1 . 2 . 3]" 1 366 1 13 MET ME 1 42 ASN HB2 . . 7.600 4.940 3.849 6.120 . 0 0 "[ . 1 . 2 . 3]" 1 367 1 13 MET ME 1 42 ASN HB3 . . 7.600 3.962 2.681 5.606 . 0 0 "[ . 1 . 2 . 3]" 1 368 1 13 MET ME 1 42 ASN HD21 . . 7.600 4.107 2.353 6.201 . 0 0 "[ . 1 . 2 . 3]" 1 369 1 13 MET ME 1 42 ASN HD22 . . 7.600 4.799 3.527 5.912 . 0 0 "[ . 1 . 2 . 3]" 1 370 1 13 MET ME 1 43 LYS H . . 7.000 3.426 2.448 4.928 . 0 0 "[ . 1 . 2 . 3]" 1 371 1 13 MET ME 1 43 LYS HA . . 7.600 4.720 3.509 6.332 . 0 0 "[ . 1 . 2 . 3]" 1 372 1 13 MET ME 1 44 ALA MB . . 8.600 4.236 3.295 5.274 . 0 0 "[ . 1 . 2 . 3]" 1 373 1 13 MET QG 1 14 THR H . . 6.340 4.223 3.453 4.732 . 0 0 "[ . 1 . 2 . 3]" 1 374 1 13 MET QG 1 14 THR HA . . 7.480 4.801 3.443 6.070 . 0 0 "[ . 1 . 2 . 3]" 1 375 1 13 MET QG 1 15 CYS H . . 6.290 5.152 3.799 5.651 . 0 0 "[ . 1 . 2 . 3]" 1 376 1 13 MET QG 1 18 CYS QB . . 8.350 3.326 2.159 3.951 . 0 0 "[ . 1 . 2 . 3]" 1 377 1 13 MET QG 1 22 ILE QG . . 8.350 4.126 3.123 5.613 . 0 0 "[ . 1 . 2 . 3]" 1 378 1 13 MET QG 1 39 LEU QD . . 10.050 4.628 2.290 5.574 . 0 0 "[ . 1 . 2 . 3]" 1 379 1 13 MET QG 1 42 ASN QD . . 8.340 3.659 2.245 6.524 . 0 0 "[ . 1 . 2 . 3]" 1 380 1 13 MET HG2 1 14 THR H . . 6.600 5.051 4.003 5.793 . 0 0 "[ . 1 . 2 . 3]" 1 381 1 13 MET HG2 1 15 CYS H . . 6.600 6.021 4.644 6.638 0.038 12 0 "[ . 1 . 2 . 3]" 1 382 1 13 MET HG2 1 67 PHE QD . . 8.600 4.268 3.228 5.034 . 0 0 "[ . 1 . 2 . 3]" 1 383 1 13 MET HG2 1 67 PHE QE . . 8.600 4.548 3.197 5.630 . 0 0 "[ . 1 . 2 . 3]" 1 384 1 13 MET HG3 1 14 THR H . . 6.600 4.640 3.583 5.514 . 0 0 "[ . 1 . 2 . 3]" 1 385 1 13 MET HG3 1 15 CYS H . . 6.600 5.768 3.882 6.631 0.031 11 0 "[ . 1 . 2 . 3]" 1 386 1 13 MET HG3 1 67 PHE QD . . 8.600 4.699 3.208 6.001 . 0 0 "[ . 1 . 2 . 3]" 1 387 1 13 MET HG3 1 67 PHE QE . . 8.600 5.137 3.947 5.949 . 0 0 "[ . 1 . 2 . 3]" 1 388 1 14 THR H 1 14 THR MG . . 4.700 2.467 2.030 4.107 . 0 0 "[ . 1 . 2 . 3]" 1 389 1 14 THR H 1 15 CYS H . . 3.300 2.205 1.961 2.750 . 0 0 "[ . 1 . 2 . 3]" 1 390 1 14 THR H 1 18 CYS HB2 . . 5.800 3.039 2.390 4.272 . 0 0 "[ . 1 . 2 . 3]" 1 391 1 14 THR H 1 18 CYS QB . . 5.580 2.911 2.324 4.141 . 0 0 "[ . 1 . 2 . 3]" 1 392 1 14 THR H 1 18 CYS HB3 . . 5.800 3.771 3.170 5.564 . 0 0 "[ . 1 . 2 . 3]" 1 393 1 14 THR H 1 39 LEU QD . . 9.170 4.357 3.120 5.518 . 0 0 "[ . 1 . 2 . 3]" 1 394 1 14 THR H 1 67 PHE QE . . 8.400 4.352 3.756 5.660 . 0 0 "[ . 1 . 2 . 3]" 1 395 1 14 THR HA 1 39 LEU QD . . 9.170 3.245 2.433 4.713 . 0 0 "[ . 1 . 2 . 3]" 1 396 1 14 THR HB 1 15 CYS H . . 4.900 4.340 2.986 4.704 . 0 0 "[ . 1 . 2 . 3]" 1 397 1 14 THR MG 1 15 CYS H . . 7.400 3.263 2.258 4.316 . 0 0 "[ . 1 . 2 . 3]" 1 398 1 14 THR MG 1 15 CYS HA . . 7.600 4.482 4.003 5.558 . 0 0 "[ . 1 . 2 . 3]" 1 399 1 14 THR MG 1 67 PHE QE . . 9.600 4.898 3.971 7.950 . 0 0 "[ . 1 . 2 . 3]" 1 400 1 15 CYS H 1 18 CYS H . . 4.600 3.232 2.996 3.752 . 0 0 "[ . 1 . 2 . 3]" 1 401 1 15 CYS H 1 18 CYS HA . . 6.600 5.199 4.838 6.021 . 0 0 "[ . 1 . 2 . 3]" 1 402 1 15 CYS H 1 18 CYS HB2 . . 5.000 2.709 2.111 3.337 . 0 0 "[ . 1 . 2 . 3]" 1 403 1 15 CYS H 1 18 CYS QB . . 4.630 2.677 2.100 3.292 . 0 0 "[ . 1 . 2 . 3]" 1 404 1 15 CYS H 1 18 CYS HB3 . . 5.000 4.210 3.745 5.022 0.022 23 0 "[ . 1 . 2 . 3]" 1 405 1 15 CYS H 1 19 VAL H . . 5.700 4.131 3.344 4.788 . 0 0 "[ . 1 . 2 . 3]" 1 406 1 15 CYS H 1 19 VAL QG . . 9.160 3.836 3.109 4.571 . 0 0 "[ . 1 . 2 . 3]" 1 407 1 15 CYS H 1 39 LEU QD . . 7.370 3.423 2.443 4.604 . 0 0 "[ . 1 . 2 . 3]" 1 408 1 15 CYS HA 1 16 ALA MB . . 7.600 4.162 3.985 4.246 . 0 0 "[ . 1 . 2 . 3]" 1 409 1 15 CYS HA 1 17 SER H . . 5.600 4.431 4.219 4.655 . 0 0 "[ . 1 . 2 . 3]" 1 410 1 15 CYS HA 1 17 SER QB . . 7.480 5.481 5.126 5.853 . 0 0 "[ . 1 . 2 . 3]" 1 411 1 15 CYS HA 1 39 LEU QD . . 9.170 2.423 2.170 3.736 . 0 0 "[ . 1 . 2 . 3]" 1 412 1 15 CYS QB 1 16 ALA HA . . 7.480 4.677 4.558 4.903 . 0 0 "[ . 1 . 2 . 3]" 1 413 1 15 CYS QB 1 17 SER H . . 5.490 3.094 2.623 3.534 . 0 0 "[ . 1 . 2 . 3]" 1 414 1 15 CYS QB 1 18 CYS H . . 6.100 4.144 3.452 4.410 . 0 0 "[ . 1 . 2 . 3]" 1 415 1 15 CYS QB 1 19 VAL H . . 7.480 5.412 5.033 5.914 . 0 0 "[ . 1 . 2 . 3]" 1 416 1 15 CYS HB2 1 16 ALA MB . . 7.600 3.769 3.600 4.223 . 0 0 "[ . 1 . 2 . 3]" 1 417 1 15 CYS HB2 1 17 SER H . . 5.900 3.156 2.644 3.655 . 0 0 "[ . 1 . 2 . 3]" 1 418 1 15 CYS HB2 1 18 CYS H . . 6.600 4.432 3.529 4.824 . 0 0 "[ . 1 . 2 . 3]" 1 419 1 15 CYS HB3 1 16 ALA MB . . 7.600 5.065 4.842 5.295 . 0 0 "[ . 1 . 2 . 3]" 1 420 1 15 CYS HB3 1 17 SER H . . 5.900 4.554 4.292 4.738 . 0 0 "[ . 1 . 2 . 3]" 1 421 1 15 CYS HB3 1 18 CYS H . . 6.600 5.074 4.665 5.415 . 0 0 "[ . 1 . 2 . 3]" 1 422 1 16 ALA HA 1 18 CYS H . . 4.800 4.189 4.009 4.387 . 0 0 "[ . 1 . 2 . 3]" 1 423 1 16 ALA HA 1 19 VAL H . . 4.300 3.213 3.011 3.573 . 0 0 "[ . 1 . 2 . 3]" 1 424 1 16 ALA HA 1 19 VAL HB . . 6.600 2.420 2.176 3.159 . 0 0 "[ . 1 . 2 . 3]" 1 425 1 16 ALA HA 1 20 HIS H . . 5.300 3.844 3.582 4.522 . 0 0 "[ . 1 . 2 . 3]" 1 426 1 16 ALA MB 1 17 SER HA . . 7.600 3.920 3.818 4.002 . 0 0 "[ . 1 . 2 . 3]" 1 427 1 16 ALA MB 1 17 SER QB . . 8.480 4.324 3.899 4.540 . 0 0 "[ . 1 . 2 . 3]" 1 428 1 16 ALA MB 1 18 CYS H . . 6.100 4.552 4.469 4.654 . 0 0 "[ . 1 . 2 . 3]" 1 429 1 16 ALA MB 1 19 VAL H . . 5.900 4.460 4.338 4.758 . 0 0 "[ . 1 . 2 . 3]" 1 430 1 16 ALA MB 1 19 VAL HB . . 7.600 3.692 3.533 3.910 . 0 0 "[ . 1 . 2 . 3]" 1 431 1 16 ALA MB 1 20 HIS H . . 6.700 4.274 4.085 4.579 . 0 0 "[ . 1 . 2 . 3]" 1 432 1 16 ALA MB 1 20 HIS HD2 . . 7.600 5.896 5.505 6.348 . 0 0 "[ . 1 . 2 . 3]" 1 433 1 17 SER H 1 17 SER HB2 . . 4.000 2.610 2.407 2.779 . 0 0 "[ . 1 . 2 . 3]" 1 434 1 17 SER H 1 17 SER QB . . 3.800 2.487 2.243 2.656 . 0 0 "[ . 1 . 2 . 3]" 1 435 1 17 SER H 1 17 SER HB3 . . 4.000 3.207 2.585 3.553 . 0 0 "[ . 1 . 2 . 3]" 1 436 1 17 SER H 1 18 CYS H . . 3.600 2.885 2.667 3.140 . 0 0 "[ . 1 . 2 . 3]" 1 437 1 17 SER H 1 19 VAL H . . 5.500 4.199 4.017 4.346 . 0 0 "[ . 1 . 2 . 3]" 1 438 1 17 SER H 1 20 HIS H . . 6.600 5.035 4.826 5.361 . 0 0 "[ . 1 . 2 . 3]" 1 439 1 17 SER HA 1 19 VAL H . . 5.300 4.619 4.155 4.916 . 0 0 "[ . 1 . 2 . 3]" 1 440 1 17 SER HA 1 19 VAL HB . . 6.600 5.379 4.795 5.913 . 0 0 "[ . 1 . 2 . 3]" 1 441 1 17 SER HA 1 20 HIS H . . 6.600 4.136 3.349 4.817 . 0 0 "[ . 1 . 2 . 3]" 1 442 1 17 SER HA 1 20 HIS HB2 . . 6.600 5.714 4.890 6.383 . 0 0 "[ . 1 . 2 . 3]" 1 443 1 17 SER HA 1 20 HIS HB3 . . 6.600 5.249 4.227 5.839 . 0 0 "[ . 1 . 2 . 3]" 1 444 1 17 SER HA 1 20 HIS HD2 . . 6.600 3.572 3.120 4.773 . 0 0 "[ . 1 . 2 . 3]" 1 445 1 17 SER QB 1 18 CYS H . . 3.850 2.600 2.390 2.984 . 0 0 "[ . 1 . 2 . 3]" 1 446 1 17 SER QB 1 20 HIS QB . . 8.350 6.280 5.670 6.652 . 0 0 "[ . 1 . 2 . 3]" 1 447 1 17 SER QB 1 20 HIS HD2 . . 7.480 4.977 4.440 5.994 . 0 0 "[ . 1 . 2 . 3]" 1 448 1 17 SER HB2 1 18 CYS H . . 4.100 3.046 2.422 4.100 0.000 7 0 "[ . 1 . 2 . 3]" 1 449 1 17 SER HB3 1 18 CYS H . . 4.100 3.469 2.525 4.006 . 0 0 "[ . 1 . 2 . 3]" 1 450 1 18 CYS H 1 18 CYS HB2 . . 4.000 2.482 2.389 2.568 . 0 0 "[ . 1 . 2 . 3]" 1 451 1 18 CYS H 1 18 CYS QB . . 3.700 2.439 2.358 2.515 . 0 0 "[ . 1 . 2 . 3]" 1 452 1 18 CYS H 1 18 CYS HB3 . . 4.000 3.584 3.544 3.659 . 0 0 "[ . 1 . 2 . 3]" 1 453 1 18 CYS H 1 19 VAL H . . 3.400 2.426 2.367 2.528 . 0 0 "[ . 1 . 2 . 3]" 1 454 1 18 CYS H 1 19 VAL HA . . 5.200 5.066 4.987 5.170 . 0 0 "[ . 1 . 2 . 3]" 1 455 1 18 CYS H 1 19 VAL HB . . 4.700 4.596 4.212 4.746 0.046 25 0 "[ . 1 . 2 . 3]" 1 456 1 18 CYS H 1 19 VAL MG1 . . 7.600 5.700 5.511 5.808 . 0 0 "[ . 1 . 2 . 3]" 1 457 1 18 CYS H 1 19 VAL QG . . 7.340 3.655 3.381 3.862 . 0 0 "[ . 1 . 2 . 3]" 1 458 1 18 CYS H 1 19 VAL MG2 . . 7.600 3.701 3.407 3.944 . 0 0 "[ . 1 . 2 . 3]" 1 459 1 18 CYS H 1 20 HIS H . . 5.600 4.394 4.244 4.558 . 0 0 "[ . 1 . 2 . 3]" 1 460 1 18 CYS H 1 21 LYS H . . 6.600 4.730 4.573 5.139 . 0 0 "[ . 1 . 2 . 3]" 1 461 1 18 CYS H 1 39 LEU QD . . 8.470 4.864 3.894 5.789 . 0 0 "[ . 1 . 2 . 3]" 1 462 1 18 CYS H 1 67 PHE QE . . 8.100 5.588 5.119 6.074 . 0 0 "[ . 1 . 2 . 3]" 1 463 1 18 CYS HA 1 19 VAL MG1 . . 7.600 6.212 6.084 6.274 . 0 0 "[ . 1 . 2 . 3]" 1 464 1 18 CYS HA 1 19 VAL MG2 . . 7.600 5.014 4.853 5.166 . 0 0 "[ . 1 . 2 . 3]" 1 465 1 18 CYS HA 1 20 HIS H . . 5.100 4.767 4.426 4.890 . 0 0 "[ . 1 . 2 . 3]" 1 466 1 18 CYS HA 1 20 HIS QB . . 7.480 6.423 6.009 6.580 . 0 0 "[ . 1 . 2 . 3]" 1 467 1 18 CYS HA 1 20 HIS HD2 . . 6.600 4.917 4.312 5.306 . 0 0 "[ . 1 . 2 . 3]" 1 468 1 18 CYS HA 1 21 LYS H . . 6.600 3.416 2.907 3.743 . 0 0 "[ . 1 . 2 . 3]" 1 469 1 18 CYS HA 1 21 LYS HA . . 6.600 5.246 4.824 5.827 . 0 0 "[ . 1 . 2 . 3]" 1 470 1 18 CYS HA 1 21 LYS HB2 . . 6.600 2.741 2.153 5.025 . 0 0 "[ . 1 . 2 . 3]" 1 471 1 18 CYS HA 1 21 LYS HB3 . . 6.600 3.530 2.290 5.053 . 0 0 "[ . 1 . 2 . 3]" 1 472 1 18 CYS HA 1 21 LYS HD2 . . 6.600 4.043 2.228 5.638 . 0 0 "[ . 1 . 2 . 3]" 1 473 1 18 CYS HA 1 21 LYS HD3 . . 6.600 4.401 2.294 6.110 . 0 0 "[ . 1 . 2 . 3]" 1 474 1 18 CYS HA 1 21 LYS QE . . 7.600 4.435 1.917 6.292 . 0 0 "[ . 1 . 2 . 3]" 1 475 1 18 CYS HA 1 21 LYS QG . . 7.480 3.547 2.513 4.179 . 0 0 "[ . 1 . 2 . 3]" 1 476 1 18 CYS HA 1 22 ILE H . . 6.600 4.033 3.567 4.703 . 0 0 "[ . 1 . 2 . 3]" 1 477 1 18 CYS HA 1 22 ILE HB . . 6.600 5.934 5.271 6.591 . 0 0 "[ . 1 . 2 . 3]" 1 478 1 18 CYS HA 1 22 ILE MD . . 7.600 4.752 4.087 5.279 . 0 0 "[ . 1 . 2 . 3]" 1 479 1 18 CYS HA 1 22 ILE QG . . 7.480 4.077 3.624 4.849 . 0 0 "[ . 1 . 2 . 3]" 1 480 1 18 CYS HA 1 67 PHE QD . . 8.600 5.717 5.153 6.367 . 0 0 "[ . 1 . 2 . 3]" 1 481 1 18 CYS HA 1 67 PHE QE . . 8.600 3.751 2.983 4.392 . 0 0 "[ . 1 . 2 . 3]" 1 482 1 18 CYS HA 1 67 PHE HZ . . 6.600 2.728 2.222 3.655 . 0 0 "[ . 1 . 2 . 3]" 1 483 1 18 CYS QB 1 19 VAL H . . 3.910 2.602 2.376 3.061 . 0 0 "[ . 1 . 2 . 3]" 1 484 1 18 CYS QB 1 19 VAL QG . . 10.040 3.224 2.957 3.768 . 0 0 "[ . 1 . 2 . 3]" 1 485 1 18 CYS QB 1 22 ILE QG . . 8.350 3.599 3.058 4.548 . 0 0 "[ . 1 . 2 . 3]" 1 486 1 18 CYS QB 1 39 LEU QD . . 10.050 4.207 2.843 5.042 . 0 0 "[ . 1 . 2 . 3]" 1 487 1 18 CYS QB 1 67 PHE QD . . 9.480 4.345 4.014 4.652 . 0 0 "[ . 1 . 2 . 3]" 1 488 1 18 CYS HB2 1 19 VAL H . . 4.200 2.657 2.411 3.163 . 0 0 "[ . 1 . 2 . 3]" 1 489 1 18 CYS HB2 1 22 ILE MD . . 7.600 4.478 3.441 5.073 . 0 0 "[ . 1 . 2 . 3]" 1 490 1 18 CYS HB2 1 67 PHE QE . . 8.600 4.309 3.851 4.610 . 0 0 "[ . 1 . 2 . 3]" 1 491 1 18 CYS HB3 1 19 VAL H . . 4.200 3.744 3.524 4.081 . 0 0 "[ . 1 . 2 . 3]" 1 492 1 18 CYS HB3 1 22 ILE MD . . 7.600 3.540 2.584 4.161 . 0 0 "[ . 1 . 2 . 3]" 1 493 1 18 CYS HB3 1 67 PHE QE . . 8.600 3.019 2.368 3.305 . 0 0 "[ . 1 . 2 . 3]" 1 494 1 19 VAL H 1 19 VAL HB . . 3.200 2.527 2.345 2.655 . 0 0 "[ . 1 . 2 . 3]" 1 495 1 19 VAL H 1 20 HIS H . . 3.500 2.897 2.706 3.032 . 0 0 "[ . 1 . 2 . 3]" 1 496 1 19 VAL H 1 20 HIS QB . . 5.680 5.108 5.064 5.136 . 0 0 "[ . 1 . 2 . 3]" 1 497 1 19 VAL H 1 21 LYS H . . 6.000 4.013 3.792 4.273 . 0 0 "[ . 1 . 2 . 3]" 1 498 1 19 VAL H 1 22 ILE MD . . 7.600 5.076 4.203 5.653 . 0 0 "[ . 1 . 2 . 3]" 1 499 1 19 VAL H 1 37 VAL MG1 . . 7.600 5.388 4.185 6.396 . 0 0 "[ . 1 . 2 . 3]" 1 500 1 19 VAL H 1 37 VAL QG . . 6.900 4.277 4.055 4.711 . 0 0 "[ . 1 . 2 . 3]" 1 501 1 19 VAL H 1 37 VAL MG2 . . 7.600 4.933 4.136 6.350 . 0 0 "[ . 1 . 2 . 3]" 1 502 1 19 VAL H 1 39 LEU QD . . 9.170 4.211 3.237 4.955 . 0 0 "[ . 1 . 2 . 3]" 1 503 1 19 VAL HA 1 21 LYS H . . 5.900 4.408 4.111 4.734 . 0 0 "[ . 1 . 2 . 3]" 1 504 1 19 VAL HA 1 22 ILE H . . 5.000 3.759 3.526 3.894 . 0 0 "[ . 1 . 2 . 3]" 1 505 1 19 VAL HA 1 22 ILE QG . . 7.480 3.672 2.795 4.750 . 0 0 "[ . 1 . 2 . 3]" 1 506 1 19 VAL HA 1 23 GLU H . . 5.700 4.096 3.932 4.303 . 0 0 "[ . 1 . 2 . 3]" 1 507 1 19 VAL HA 1 37 VAL H . . 6.600 5.430 4.733 6.273 . 0 0 "[ . 1 . 2 . 3]" 1 508 1 19 VAL HA 1 37 VAL MG1 . . 7.600 3.069 1.967 4.110 . 0 0 "[ . 1 . 2 . 3]" 1 509 1 19 VAL HA 1 37 VAL MG2 . . 7.600 2.778 1.959 4.022 . 0 0 "[ . 1 . 2 . 3]" 1 510 1 19 VAL HB 1 20 HIS H . . 3.300 2.254 2.171 2.426 . 0 0 "[ . 1 . 2 . 3]" 1 511 1 19 VAL HB 1 20 HIS HD2 . . 6.600 5.694 5.497 5.908 . 0 0 "[ . 1 . 2 . 3]" 1 512 1 19 VAL HB 1 37 VAL QG . . 9.160 3.974 3.870 4.234 . 0 0 "[ . 1 . 2 . 3]" 1 513 1 19 VAL HB 1 39 LEU H . . 6.600 6.295 5.520 6.640 0.040 18 0 "[ . 1 . 2 . 3]" 1 514 1 19 VAL QG 1 20 HIS H . . 6.160 2.988 2.817 3.122 . 0 0 "[ . 1 . 2 . 3]" 1 515 1 19 VAL QG 1 20 HIS HA . . 9.160 3.225 2.923 3.519 . 0 0 "[ . 1 . 2 . 3]" 1 516 1 19 VAL QG 1 20 HIS QB . . 9.120 3.473 3.087 3.908 . 0 0 "[ . 1 . 2 . 3]" 1 517 1 19 VAL QG 1 21 LYS H . . 9.160 4.508 4.326 4.686 . 0 0 "[ . 1 . 2 . 3]" 1 518 1 19 VAL QG 1 23 GLU H . . 9.160 3.970 3.709 4.184 . 0 0 "[ . 1 . 2 . 3]" 1 519 1 19 VAL QG 1 37 VAL HB . . 9.160 4.032 2.133 4.483 . 0 0 "[ . 1 . 2 . 3]" 1 520 1 19 VAL QG 1 38 ALA MB . . 10.160 4.185 3.654 4.515 . 0 0 "[ . 1 . 2 . 3]" 1 521 1 19 VAL MG1 1 20 HIS H . . 6.500 3.164 2.899 3.391 . 0 0 "[ . 1 . 2 . 3]" 1 522 1 19 VAL MG1 1 20 HIS HB2 . . 10.720 4.820 4.382 5.296 . 0 0 "[ . 1 . 2 . 3]" 1 523 1 19 VAL MG1 1 20 HIS HB3 . . 10.720 3.652 3.184 4.219 . 0 0 "[ . 1 . 2 . 3]" 1 524 1 19 VAL MG1 1 20 HIS HD2 . . 7.600 5.965 5.511 6.337 . 0 0 "[ . 1 . 2 . 3]" 1 525 1 19 VAL MG1 1 37 VAL H . . 7.600 3.626 2.941 4.532 . 0 0 "[ . 1 . 2 . 3]" 1 526 1 19 VAL MG1 1 38 ALA H . . 7.600 4.876 4.015 5.451 . 0 0 "[ . 1 . 2 . 3]" 1 527 1 19 VAL MG1 1 38 ALA HA . . 7.600 3.732 2.723 4.359 . 0 0 "[ . 1 . 2 . 3]" 1 528 1 19 VAL MG1 1 39 LEU H . . 7.600 4.467 3.669 5.022 . 0 0 "[ . 1 . 2 . 3]" 1 529 1 19 VAL MG2 1 20 HIS H . . 6.500 3.708 3.561 3.932 . 0 0 "[ . 1 . 2 . 3]" 1 530 1 19 VAL MG2 1 20 HIS HB2 . . 10.720 6.459 6.376 6.543 . 0 0 "[ . 1 . 2 . 3]" 1 531 1 19 VAL MG2 1 20 HIS HB3 . . 10.720 5.238 5.138 5.423 . 0 0 "[ . 1 . 2 . 3]" 1 532 1 19 VAL MG2 1 20 HIS HD2 . . 7.600 6.404 6.354 6.470 . 0 0 "[ . 1 . 2 . 3]" 1 533 1 19 VAL MG2 1 37 VAL H . . 7.600 5.399 4.624 6.252 . 0 0 "[ . 1 . 2 . 3]" 1 534 1 19 VAL MG2 1 38 ALA H . . 7.600 4.973 4.362 5.607 . 0 0 "[ . 1 . 2 . 3]" 1 535 1 19 VAL MG2 1 38 ALA HA . . 7.600 3.627 3.120 4.470 . 0 0 "[ . 1 . 2 . 3]" 1 536 1 19 VAL MG2 1 39 LEU H . . 7.600 3.379 2.667 3.966 . 0 0 "[ . 1 . 2 . 3]" 1 537 1 20 HIS H 1 20 HIS HB2 . . 3.500 3.571 3.540 3.600 0.100 13 0 "[ . 1 . 2 . 3]" 1 538 1 20 HIS H 1 20 HIS QB . . 3.290 2.490 2.364 2.634 . 0 0 "[ . 1 . 2 . 3]" 1 539 1 20 HIS H 1 20 HIS HB3 . . 3.500 2.543 2.400 2.710 . 0 0 "[ . 1 . 2 . 3]" 1 540 1 20 HIS H 1 20 HIS HD2 . . 5.900 3.485 3.169 3.713 . 0 0 "[ . 1 . 2 . 3]" 1 541 1 20 HIS H 1 20 HIS HE1 . . 5.600 5.320 4.973 5.639 0.039 14 0 "[ . 1 . 2 . 3]" 1 542 1 20 HIS H 1 21 LYS H . . 3.700 2.758 2.681 2.887 . 0 0 "[ . 1 . 2 . 3]" 1 543 1 20 HIS H 1 21 LYS QB . . 5.880 4.610 4.278 5.197 . 0 0 "[ . 1 . 2 . 3]" 1 544 1 20 HIS H 1 22 ILE H . . 4.500 4.423 4.227 4.524 0.024 11 0 "[ . 1 . 2 . 3]" 1 545 1 20 HIS H 1 22 ILE QG . . 7.480 5.600 5.077 6.468 . 0 0 "[ . 1 . 2 . 3]" 1 546 1 20 HIS H 1 23 GLU H . . 6.600 4.860 4.620 5.045 . 0 0 "[ . 1 . 2 . 3]" 1 547 1 20 HIS H 1 23 GLU QB . . 7.480 5.102 4.580 6.123 . 0 0 "[ . 1 . 2 . 3]" 1 548 1 20 HIS H 1 23 GLU QG . . 7.600 5.208 4.198 6.790 . 0 0 "[ . 1 . 2 . 3]" 1 549 1 20 HIS H 1 37 VAL QG . . 9.160 4.555 4.414 4.752 . 0 0 "[ . 1 . 2 . 3]" 1 550 1 20 HIS HA 1 21 LYS HA . . 6.600 4.803 4.665 4.903 . 0 0 "[ . 1 . 2 . 3]" 1 551 1 20 HIS HA 1 22 ILE H . . 5.900 4.348 3.959 4.564 . 0 0 "[ . 1 . 2 . 3]" 1 552 1 20 HIS HA 1 23 GLU H . . 5.000 3.271 2.856 3.598 . 0 0 "[ . 1 . 2 . 3]" 1 553 1 20 HIS HA 1 23 GLU HA . . 6.600 5.222 4.729 5.743 . 0 0 "[ . 1 . 2 . 3]" 1 554 1 20 HIS HA 1 23 GLU HB2 . . 6.600 3.040 2.292 5.131 . 0 0 "[ . 1 . 2 . 3]" 1 555 1 20 HIS HA 1 23 GLU HB3 . . 6.600 4.033 2.519 4.753 . 0 0 "[ . 1 . 2 . 3]" 1 556 1 20 HIS HA 1 24 SER H . . 5.200 3.212 2.365 3.603 . 0 0 "[ . 1 . 2 . 3]" 1 557 1 20 HIS HA 1 24 SER HA . . 6.600 5.633 4.811 5.994 . 0 0 "[ . 1 . 2 . 3]" 1 558 1 20 HIS QB 1 21 LYS H . . 4.380 3.786 3.706 3.912 . 0 0 "[ . 1 . 2 . 3]" 1 559 1 20 HIS QB 1 22 ILE H . . 7.480 5.349 5.086 5.484 . 0 0 "[ . 1 . 2 . 3]" 1 560 1 20 HIS QB 1 22 ILE HB . . 7.480 6.459 6.198 6.676 . 0 0 "[ . 1 . 2 . 3]" 1 561 1 20 HIS QB 1 23 GLU QB . . 8.350 4.102 3.592 5.474 . 0 0 "[ . 1 . 2 . 3]" 1 562 1 20 HIS HD2 1 21 LYS H . . 6.600 2.406 2.225 2.704 . 0 0 "[ . 1 . 2 . 3]" 1 563 1 20 HIS HD2 1 24 SER HB2 . . 6.600 5.340 4.768 6.606 0.006 15 0 "[ . 1 . 2 . 3]" 1 564 1 20 HIS HD2 1 24 SER HB3 . . 6.600 5.573 4.878 6.625 0.025 14 0 "[ . 1 . 2 . 3]" 1 565 1 20 HIS HD2 1 25 SER QB . . 7.480 6.660 6.262 6.744 . 0 0 "[ . 1 . 2 . 3]" 1 566 1 21 LYS H 1 21 LYS HB2 . . 3.900 2.384 2.051 3.641 . 0 0 "[ . 1 . 2 . 3]" 1 567 1 21 LYS H 1 21 LYS QB . . 3.600 2.248 1.968 2.609 . 0 0 "[ . 1 . 2 . 3]" 1 568 1 21 LYS H 1 21 LYS HB3 . . 3.900 3.207 2.073 3.706 . 0 0 "[ . 1 . 2 . 3]" 1 569 1 21 LYS H 1 21 LYS QD . . 5.680 4.214 3.414 4.920 . 0 0 "[ . 1 . 2 . 3]" 1 570 1 21 LYS H 1 21 LYS QE . . 7.100 5.152 3.772 6.044 . 0 0 "[ . 1 . 2 . 3]" 1 571 1 21 LYS H 1 21 LYS HG2 . . 4.400 3.766 2.310 4.421 0.021 9 0 "[ . 1 . 2 . 3]" 1 572 1 21 LYS H 1 21 LYS QG . . 4.020 3.106 2.285 3.753 . 0 0 "[ . 1 . 2 . 3]" 1 573 1 21 LYS H 1 21 LYS HG3 . . 4.400 3.563 2.322 4.419 0.019 26 0 "[ . 1 . 2 . 3]" 1 574 1 21 LYS H 1 22 ILE H . . 3.600 2.672 2.340 2.996 . 0 0 "[ . 1 . 2 . 3]" 1 575 1 21 LYS H 1 22 ILE HA . . 6.000 5.269 4.974 5.506 . 0 0 "[ . 1 . 2 . 3]" 1 576 1 21 LYS H 1 22 ILE MD . . 7.600 5.482 4.906 5.951 . 0 0 "[ . 1 . 2 . 3]" 1 577 1 21 LYS H 1 22 ILE MG . . 7.600 5.938 5.611 6.280 . 0 0 "[ . 1 . 2 . 3]" 1 578 1 21 LYS H 1 23 GLU H . . 5.800 4.327 4.021 4.828 . 0 0 "[ . 1 . 2 . 3]" 1 579 1 21 LYS H 1 23 GLU QB . . 7.480 5.392 4.827 6.692 . 0 0 "[ . 1 . 2 . 3]" 1 580 1 21 LYS H 1 24 SER H . . 5.600 4.832 4.604 5.417 . 0 0 "[ . 1 . 2 . 3]" 1 581 1 21 LYS HA 1 22 ILE QG . . 7.480 5.094 4.905 5.333 . 0 0 "[ . 1 . 2 . 3]" 1 582 1 21 LYS HA 1 23 GLU H . . 6.300 4.978 4.700 5.501 . 0 0 "[ . 1 . 2 . 3]" 1 583 1 21 LYS HA 1 24 SER H . . 5.100 4.157 3.726 5.124 0.024 25 0 "[ . 1 . 2 . 3]" 1 584 1 21 LYS HA 1 67 PHE QE . . 8.600 5.818 4.824 6.780 . 0 0 "[ . 1 . 2 . 3]" 1 585 1 21 LYS QB 1 22 ILE H . . 4.330 2.514 2.241 3.521 . 0 0 "[ . 1 . 2 . 3]" 1 586 1 21 LYS QB 1 22 ILE HA . . 7.480 3.936 3.544 4.881 . 0 0 "[ . 1 . 2 . 3]" 1 587 1 21 LYS QB 1 22 ILE MG . . 8.480 5.087 4.738 5.999 . 0 0 "[ . 1 . 2 . 3]" 1 588 1 21 LYS QB 1 65 LEU QD . . 8.330 3.212 2.182 4.183 . 0 0 "[ . 1 . 2 . 3]" 1 589 1 21 LYS QB 1 67 PHE QD . . 9.480 5.185 4.471 7.010 . 0 0 "[ . 1 . 2 . 3]" 1 590 1 21 LYS HB2 1 22 ILE H . . 4.800 3.065 2.388 4.239 . 0 0 "[ . 1 . 2 . 3]" 1 591 1 21 LYS HB2 1 65 LEU MD1 . . 9.350 4.568 2.811 5.765 . 0 0 "[ . 1 . 2 . 3]" 1 592 1 21 LYS HB2 1 65 LEU MD2 . . 9.350 5.152 3.551 6.719 . 0 0 "[ . 1 . 2 . 3]" 1 593 1 21 LYS HB2 1 67 PHE QE . . 8.600 4.024 2.814 5.966 . 0 0 "[ . 1 . 2 . 3]" 1 594 1 21 LYS HB3 1 22 ILE H . . 4.800 3.013 2.262 3.773 . 0 0 "[ . 1 . 2 . 3]" 1 595 1 21 LYS HB3 1 65 LEU MD1 . . 9.350 3.654 2.453 5.923 . 0 0 "[ . 1 . 2 . 3]" 1 596 1 21 LYS HB3 1 65 LEU MD2 . . 9.350 4.159 2.470 5.764 . 0 0 "[ . 1 . 2 . 3]" 1 597 1 21 LYS HB3 1 67 PHE QE . . 8.600 3.531 2.374 5.735 . 0 0 "[ . 1 . 2 . 3]" 1 598 1 21 LYS QD 1 22 ILE H . . 6.980 4.573 3.638 5.485 . 0 0 "[ . 1 . 2 . 3]" 1 599 1 21 LYS HD2 1 67 PHE QE . . 8.600 4.349 2.272 6.266 . 0 0 "[ . 1 . 2 . 3]" 1 600 1 21 LYS HD3 1 67 PHE QE . . 8.600 4.452 2.286 6.667 . 0 0 "[ . 1 . 2 . 3]" 1 601 1 21 LYS QE 1 65 LEU HA . . 7.600 5.112 2.810 6.796 . 0 0 "[ . 1 . 2 . 3]" 1 602 1 21 LYS QE 1 65 LEU QD . . 10.170 3.811 2.457 5.265 . 0 0 "[ . 1 . 2 . 3]" 1 603 1 21 LYS QE 1 67 PHE QE . . 9.600 4.554 2.358 6.765 . 0 0 "[ . 1 . 2 . 3]" 1 604 1 21 LYS QG 1 23 GLU H . . 7.480 6.016 4.876 6.532 . 0 0 "[ . 1 . 2 . 3]" 1 605 1 21 LYS QG 1 25 SER H . . 7.480 5.288 4.375 6.057 . 0 0 "[ . 1 . 2 . 3]" 1 606 1 21 LYS QG 1 67 PHE HZ . . 7.480 4.447 3.452 5.759 . 0 0 "[ . 1 . 2 . 3]" 1 607 1 21 LYS HG2 1 22 ILE H . . 5.400 4.497 2.534 5.120 . 0 0 "[ . 1 . 2 . 3]" 1 608 1 21 LYS HG2 1 22 ILE HA . . 6.600 5.587 3.058 6.595 . 0 0 "[ . 1 . 2 . 3]" 1 609 1 21 LYS HG2 1 67 PHE QE . . 8.600 4.997 2.674 6.661 . 0 0 "[ . 1 . 2 . 3]" 1 610 1 21 LYS HG3 1 22 ILE H . . 5.400 4.661 3.333 5.274 . 0 0 "[ . 1 . 2 . 3]" 1 611 1 21 LYS HG3 1 22 ILE HA . . 6.600 6.074 3.506 6.645 0.045 17 0 "[ . 1 . 2 . 3]" 1 612 1 21 LYS HG3 1 67 PHE QE . . 8.600 4.991 3.828 6.351 . 0 0 "[ . 1 . 2 . 3]" 1 613 1 22 ILE H 1 22 ILE HB . . 3.300 2.601 2.285 2.887 . 0 0 "[ . 1 . 2 . 3]" 1 614 1 22 ILE H 1 22 ILE MD . . 4.500 3.650 3.280 3.790 . 0 0 "[ . 1 . 2 . 3]" 1 615 1 22 ILE H 1 22 ILE HG12 . . 4.200 3.163 2.345 4.095 . 0 0 "[ . 1 . 2 . 3]" 1 616 1 22 ILE H 1 22 ILE QG . . 3.860 2.175 1.990 2.769 . 0 0 "[ . 1 . 2 . 3]" 1 617 1 22 ILE H 1 22 ILE HG13 . . 4.200 2.240 2.064 2.816 . 0 0 "[ . 1 . 2 . 3]" 1 618 1 22 ILE H 1 23 GLU H . . 3.800 2.867 2.741 3.020 . 0 0 "[ . 1 . 2 . 3]" 1 619 1 22 ILE H 1 23 GLU HA . . 6.100 5.383 5.253 5.505 . 0 0 "[ . 1 . 2 . 3]" 1 620 1 22 ILE H 1 23 GLU QB . . 5.680 4.847 4.391 5.116 . 0 0 "[ . 1 . 2 . 3]" 1 621 1 22 ILE H 1 23 GLU QG . . 7.600 4.739 4.168 6.296 . 0 0 "[ . 1 . 2 . 3]" 1 622 1 22 ILE H 1 24 SER H . . 6.600 4.554 4.358 4.860 . 0 0 "[ . 1 . 2 . 3]" 1 623 1 22 ILE H 1 25 SER H . . 5.200 4.746 4.675 4.862 . 0 0 "[ . 1 . 2 . 3]" 1 624 1 22 ILE H 1 26 LEU H . . 6.600 5.844 5.695 5.956 . 0 0 "[ . 1 . 2 . 3]" 1 625 1 22 ILE H 1 37 VAL MG1 . . 7.600 4.280 3.629 4.957 . 0 0 "[ . 1 . 2 . 3]" 1 626 1 22 ILE H 1 37 VAL MG2 . . 7.600 4.391 3.688 5.449 . 0 0 "[ . 1 . 2 . 3]" 1 627 1 22 ILE H 1 65 LEU MD1 . . 7.600 4.040 3.326 5.029 . 0 0 "[ . 1 . 2 . 3]" 1 628 1 22 ILE H 1 65 LEU MD2 . . 7.600 5.611 4.678 6.335 . 0 0 "[ . 1 . 2 . 3]" 1 629 1 22 ILE H 1 67 PHE QD . . 8.600 5.612 4.937 6.399 . 0 0 "[ . 1 . 2 . 3]" 1 630 1 22 ILE H 1 67 PHE QE . . 8.600 3.970 3.343 4.625 . 0 0 "[ . 1 . 2 . 3]" 1 631 1 22 ILE H 1 67 PHE HZ . . 6.600 5.024 3.786 5.706 . 0 0 "[ . 1 . 2 . 3]" 1 632 1 22 ILE HA 1 24 SER H . . 6.600 4.974 4.823 5.313 . 0 0 "[ . 1 . 2 . 3]" 1 633 1 22 ILE HA 1 25 SER H . . 4.800 3.828 3.696 4.033 . 0 0 "[ . 1 . 2 . 3]" 1 634 1 22 ILE HA 1 25 SER HA . . 6.600 5.795 5.562 6.117 . 0 0 "[ . 1 . 2 . 3]" 1 635 1 22 ILE HA 1 25 SER HB2 . . 6.600 4.162 3.776 4.692 . 0 0 "[ . 1 . 2 . 3]" 1 636 1 22 ILE HA 1 25 SER HB3 . . 6.600 3.087 2.656 3.646 . 0 0 "[ . 1 . 2 . 3]" 1 637 1 22 ILE HA 1 26 LEU H . . 5.600 3.802 3.528 4.018 . 0 0 "[ . 1 . 2 . 3]" 1 638 1 22 ILE HA 1 26 LEU QB . . 7.480 4.596 3.995 5.083 . 0 0 "[ . 1 . 2 . 3]" 1 639 1 22 ILE HA 1 26 LEU QD . . 9.170 2.992 2.199 3.978 . 0 0 "[ . 1 . 2 . 3]" 1 640 1 22 ILE HA 1 65 LEU MD1 . . 7.600 2.437 2.098 4.862 . 0 0 "[ . 1 . 2 . 3]" 1 641 1 22 ILE HA 1 65 LEU MD2 . . 7.600 4.386 3.843 5.131 . 0 0 "[ . 1 . 2 . 3]" 1 642 1 22 ILE HA 1 65 LEU HG . . 6.600 5.119 4.564 6.135 . 0 0 "[ . 1 . 2 . 3]" 1 643 1 22 ILE HA 1 67 PHE QD . . 8.600 4.947 4.516 5.798 . 0 0 "[ . 1 . 2 . 3]" 1 644 1 22 ILE HA 1 67 PHE QE . . 8.600 4.185 3.435 4.652 . 0 0 "[ . 1 . 2 . 3]" 1 645 1 22 ILE HB 1 23 GLU H . . 3.600 2.434 2.171 2.625 . 0 0 "[ . 1 . 2 . 3]" 1 646 1 22 ILE HB 1 24 SER H . . 6.100 5.258 4.963 5.570 . 0 0 "[ . 1 . 2 . 3]" 1 647 1 22 ILE HB 1 25 SER H . . 5.800 5.703 5.415 5.818 0.018 24 0 "[ . 1 . 2 . 3]" 1 648 1 22 ILE HB 1 37 VAL QG . . 9.160 2.094 1.929 2.459 . 0 0 "[ . 1 . 2 . 3]" 1 649 1 22 ILE HB 1 44 ALA MB . . 7.600 4.545 4.032 5.220 . 0 0 "[ . 1 . 2 . 3]" 1 650 1 22 ILE HB 1 65 LEU QD . . 9.170 4.559 4.122 5.940 . 0 0 "[ . 1 . 2 . 3]" 1 651 1 22 ILE HB 1 67 PHE QD . . 8.600 5.656 5.098 6.145 . 0 0 "[ . 1 . 2 . 3]" 1 652 1 22 ILE HB 1 67 PHE QE . . 8.600 4.995 4.506 5.417 . 0 0 "[ . 1 . 2 . 3]" 1 653 1 22 ILE HB 1 67 PHE HZ . . 6.600 6.463 5.143 6.640 0.040 26 0 "[ . 1 . 2 . 3]" 1 654 1 22 ILE MD 1 23 GLU H . . 7.600 4.560 4.290 4.887 . 0 0 "[ . 1 . 2 . 3]" 1 655 1 22 ILE MD 1 37 VAL QG . . 10.160 2.119 1.879 2.385 . 0 0 "[ . 1 . 2 . 3]" 1 656 1 22 ILE MD 1 44 ALA MB . . 8.600 3.218 2.705 3.845 . 0 0 "[ . 1 . 2 . 3]" 1 657 1 22 ILE MD 1 62 ILE HA . . 7.600 5.037 4.391 5.891 . 0 0 "[ . 1 . 2 . 3]" 1 658 1 22 ILE MD 1 62 ILE MD . . 8.600 3.361 2.341 4.420 . 0 0 "[ . 1 . 2 . 3]" 1 659 1 22 ILE MD 1 62 ILE MG . . 8.600 3.039 2.384 3.798 . 0 0 "[ . 1 . 2 . 3]" 1 660 1 22 ILE MD 1 65 LEU QB . . 8.480 4.363 3.941 4.835 . 0 0 "[ . 1 . 2 . 3]" 1 661 1 22 ILE MD 1 65 LEU QD . . 10.170 3.743 3.179 4.665 . 0 0 "[ . 1 . 2 . 3]" 1 662 1 22 ILE MD 1 67 PHE H . . 7.600 5.638 5.156 6.332 . 0 0 "[ . 1 . 2 . 3]" 1 663 1 22 ILE MD 1 67 PHE HA . . 7.600 5.627 4.981 6.350 . 0 0 "[ . 1 . 2 . 3]" 1 664 1 22 ILE MD 1 67 PHE HB2 . . 7.600 3.596 3.057 4.452 . 0 0 "[ . 1 . 2 . 3]" 1 665 1 22 ILE MD 1 67 PHE HB3 . . 7.600 3.900 3.309 4.611 . 0 0 "[ . 1 . 2 . 3]" 1 666 1 22 ILE MD 1 67 PHE QD . . 9.600 2.724 2.341 3.390 . 0 0 "[ . 1 . 2 . 3]" 1 667 1 22 ILE MD 1 67 PHE QE . . 9.600 3.049 2.427 3.336 . 0 0 "[ . 1 . 2 . 3]" 1 668 1 22 ILE MD 1 67 PHE HZ . . 7.600 4.137 3.228 4.568 . 0 0 "[ . 1 . 2 . 3]" 1 669 1 22 ILE QG 1 23 GLU H . . 5.680 3.911 3.491 4.285 . 0 0 "[ . 1 . 2 . 3]" 1 670 1 22 ILE QG 1 23 GLU HA . . 7.480 5.605 5.288 5.825 . 0 0 "[ . 1 . 2 . 3]" 1 671 1 22 ILE QG 1 23 GLU QG . . 8.480 5.211 4.547 6.773 . 0 0 "[ . 1 . 2 . 3]" 1 672 1 22 ILE QG 1 24 SER H . . 7.480 5.920 5.668 6.410 . 0 0 "[ . 1 . 2 . 3]" 1 673 1 22 ILE QG 1 25 SER H . . 6.250 5.554 5.441 5.624 . 0 0 "[ . 1 . 2 . 3]" 1 674 1 22 ILE QG 1 25 SER QB . . 8.350 4.650 4.175 5.101 . 0 0 "[ . 1 . 2 . 3]" 1 675 1 22 ILE QG 1 26 LEU H . . 7.480 5.685 5.226 6.015 . 0 0 "[ . 1 . 2 . 3]" 1 676 1 22 ILE QG 1 37 VAL H . . 7.480 6.747 6.686 6.848 . 0 0 "[ . 1 . 2 . 3]" 1 677 1 22 ILE QG 1 62 ILE HA . . 7.480 4.836 4.071 5.812 . 0 0 "[ . 1 . 2 . 3]" 1 678 1 22 ILE QG 1 65 LEU QB . . 8.350 3.686 3.259 4.281 . 0 0 "[ . 1 . 2 . 3]" 1 679 1 22 ILE QG 1 65 LEU QD . . 9.130 2.754 2.221 3.888 . 0 0 "[ . 1 . 2 . 3]" 1 680 1 22 ILE QG 1 67 PHE QE . . 9.480 2.342 2.062 2.590 . 0 0 "[ . 1 . 2 . 3]" 1 681 1 22 ILE QG 1 67 PHE HZ . . 7.480 3.908 2.890 4.783 . 0 0 "[ . 1 . 2 . 3]" 1 682 1 22 ILE HG12 1 25 SER H . . 6.600 6.177 5.895 6.465 . 0 0 "[ . 1 . 2 . 3]" 1 683 1 22 ILE HG12 1 37 VAL HB . . 6.600 5.875 4.931 6.441 . 0 0 "[ . 1 . 2 . 3]" 1 684 1 22 ILE HG12 1 65 LEU MD1 . . 10.740 2.899 2.299 5.093 . 0 0 "[ . 1 . 2 . 3]" 1 685 1 22 ILE HG12 1 65 LEU MD2 . . 10.740 5.093 4.556 5.851 . 0 0 "[ . 1 . 2 . 3]" 1 686 1 22 ILE HG12 1 67 PHE QD . . 8.600 3.077 2.437 3.607 . 0 0 "[ . 1 . 2 . 3]" 1 687 1 22 ILE HG13 1 25 SER H . . 6.600 6.330 5.980 6.635 0.035 9 0 "[ . 1 . 2 . 3]" 1 688 1 22 ILE HG13 1 37 VAL HB . . 6.600 5.423 4.824 6.399 . 0 0 "[ . 1 . 2 . 3]" 1 689 1 22 ILE HG13 1 65 LEU MD1 . . 10.740 3.869 2.617 4.888 . 0 0 "[ . 1 . 2 . 3]" 1 690 1 22 ILE HG13 1 65 LEU MD2 . . 10.740 5.828 4.645 6.994 . 0 0 "[ . 1 . 2 . 3]" 1 691 1 22 ILE HG13 1 67 PHE QD . . 8.600 3.985 2.697 4.771 . 0 0 "[ . 1 . 2 . 3]" 1 692 1 22 ILE MG 1 23 GLU H . . 7.600 3.253 2.695 3.595 . 0 0 "[ . 1 . 2 . 3]" 1 693 1 22 ILE MG 1 44 ALA MB . . 8.600 2.725 2.349 3.305 . 0 0 "[ . 1 . 2 . 3]" 1 694 1 22 ILE MG 1 62 ILE HA . . 7.600 4.606 3.784 5.729 . 0 0 "[ . 1 . 2 . 3]" 1 695 1 22 ILE MG 1 62 ILE MG . . 8.600 3.563 2.719 4.331 . 0 0 "[ . 1 . 2 . 3]" 1 696 1 22 ILE MG 1 65 LEU QD . . 10.170 3.110 2.542 5.204 . 0 0 "[ . 1 . 2 . 3]" 1 697 1 22 ILE MG 1 67 PHE QD . . 9.600 4.307 3.777 5.024 . 0 0 "[ . 1 . 2 . 3]" 1 698 1 22 ILE MG 1 67 PHE QE . . 9.600 4.574 4.160 5.117 . 0 0 "[ . 1 . 2 . 3]" 1 699 1 23 GLU H 1 23 GLU HB2 . . 3.800 2.686 2.077 3.663 . 0 0 "[ . 1 . 2 . 3]" 1 700 1 23 GLU H 1 23 GLU QB . . 3.500 2.417 2.054 2.598 . 0 0 "[ . 1 . 2 . 3]" 1 701 1 23 GLU H 1 23 GLU HB3 . . 3.800 3.304 2.135 3.653 . 0 0 "[ . 1 . 2 . 3]" 1 702 1 23 GLU H 1 23 GLU QG . . 4.700 2.404 2.035 3.841 . 0 0 "[ . 1 . 2 . 3]" 1 703 1 23 GLU H 1 26 LEU H . . 6.600 4.785 4.678 4.872 . 0 0 "[ . 1 . 2 . 3]" 1 704 1 23 GLU H 1 37 VAL MG1 . . 7.600 3.120 2.283 3.984 . 0 0 "[ . 1 . 2 . 3]" 1 705 1 23 GLU H 1 37 VAL MG2 . . 7.600 3.906 2.664 5.264 . 0 0 "[ . 1 . 2 . 3]" 1 706 1 23 GLU HA 1 26 LEU QD . . 9.170 3.743 2.403 4.545 . 0 0 "[ . 1 . 2 . 3]" 1 707 1 23 GLU HA 1 26 LEU HG . . 6.600 4.493 3.635 6.126 . 0 0 "[ . 1 . 2 . 3]" 1 708 1 23 GLU HA 1 27 THR H . . 6.200 3.901 3.219 4.283 . 0 0 "[ . 1 . 2 . 3]" 1 709 1 23 GLU HA 1 27 THR MG . . 7.600 4.305 3.303 6.109 . 0 0 "[ . 1 . 2 . 3]" 1 710 1 23 GLU HA 1 35 CYS HB2 . . 6.600 3.634 2.613 4.938 . 0 0 "[ . 1 . 2 . 3]" 1 711 1 23 GLU HA 1 35 CYS HB3 . . 6.600 3.249 2.422 4.714 . 0 0 "[ . 1 . 2 . 3]" 1 712 1 23 GLU HA 1 35 CYS HG . . 6.600 2.889 1.993 5.115 . 0 0 "[ . 1 . 2 . 3]" 1 713 1 23 GLU HA 1 37 VAL H . . 6.600 5.086 4.377 5.617 . 0 0 "[ . 1 . 2 . 3]" 1 714 1 23 GLU QB 1 24 SER H . . 3.810 2.656 2.189 3.470 . 0 0 "[ . 1 . 2 . 3]" 1 715 1 23 GLU QB 1 24 SER HA . . 7.480 4.058 3.829 4.698 . 0 0 "[ . 1 . 2 . 3]" 1 716 1 23 GLU QB 1 25 SER H . . 5.780 4.830 4.489 5.215 . 0 0 "[ . 1 . 2 . 3]" 1 717 1 23 GLU QB 1 35 CYS QB . . 8.350 3.738 2.399 5.123 . 0 0 "[ . 1 . 2 . 3]" 1 718 1 23 GLU QB 1 35 CYS HG . . 7.480 4.032 2.474 6.663 . 0 0 "[ . 1 . 2 . 3]" 1 719 1 23 GLU QB 1 37 VAL H . . 6.580 4.253 3.036 4.925 . 0 0 "[ . 1 . 2 . 3]" 1 720 1 23 GLU QB 1 37 VAL QG . . 10.040 3.213 2.011 3.936 . 0 0 "[ . 1 . 2 . 3]" 1 721 1 23 GLU HB2 1 24 SER H . . 4.200 2.911 2.355 3.973 . 0 0 "[ . 1 . 2 . 3]" 1 722 1 23 GLU HB2 1 27 THR MG . . 7.600 5.230 3.497 6.951 . 0 0 "[ . 1 . 2 . 3]" 1 723 1 23 GLU HB2 1 36 SER HA . . 6.600 5.265 2.857 6.613 0.013 14 0 "[ . 1 . 2 . 3]" 1 724 1 23 GLU HB3 1 24 SER H . . 4.200 3.432 2.211 4.066 . 0 0 "[ . 1 . 2 . 3]" 1 725 1 23 GLU HB3 1 27 THR MG . . 7.600 4.597 3.255 6.734 . 0 0 "[ . 1 . 2 . 3]" 1 726 1 23 GLU HB3 1 36 SER HA . . 6.600 4.749 2.490 6.409 . 0 0 "[ . 1 . 2 . 3]" 1 727 1 23 GLU QG 1 24 SER H . . 7.400 3.760 2.045 4.367 . 0 0 "[ . 1 . 2 . 3]" 1 728 1 23 GLU QG 1 27 THR MG . . 8.600 4.900 2.772 6.863 . 0 0 "[ . 1 . 2 . 3]" 1 729 1 23 GLU QG 1 35 CYS HG . . 7.600 3.746 2.377 5.058 . 0 0 "[ . 1 . 2 . 3]" 1 730 1 23 GLU QG 1 37 VAL H . . 7.600 3.228 2.389 5.964 . 0 0 "[ . 1 . 2 . 3]" 1 731 1 24 SER H 1 24 SER HB2 . . 4.000 2.585 2.358 3.635 . 0 0 "[ . 1 . 2 . 3]" 1 732 1 24 SER H 1 24 SER QB . . 3.750 2.368 2.208 2.673 . 0 0 "[ . 1 . 2 . 3]" 1 733 1 24 SER H 1 24 SER HB3 . . 4.000 2.938 2.528 3.628 . 0 0 "[ . 1 . 2 . 3]" 1 734 1 24 SER H 1 25 SER H . . 3.600 2.826 2.701 2.996 . 0 0 "[ . 1 . 2 . 3]" 1 735 1 24 SER H 1 26 LEU H . . 5.900 4.351 4.167 4.623 . 0 0 "[ . 1 . 2 . 3]" 1 736 1 24 SER H 1 27 THR H . . 6.600 4.848 4.731 5.005 . 0 0 "[ . 1 . 2 . 3]" 1 737 1 24 SER HA 1 27 THR H . . 5.600 3.727 3.516 4.211 . 0 0 "[ . 1 . 2 . 3]" 1 738 1 24 SER HA 1 27 THR MG . . 7.600 4.072 3.404 5.032 . 0 0 "[ . 1 . 2 . 3]" 1 739 1 24 SER QB 1 26 LEU H . . 6.780 4.853 4.631 5.162 . 0 0 "[ . 1 . 2 . 3]" 1 740 1 24 SER HB2 1 25 SER H . . 4.200 3.480 2.383 4.077 . 0 0 "[ . 1 . 2 . 3]" 1 741 1 24 SER HB3 1 25 SER H . . 4.200 3.099 2.452 4.220 0.020 18 0 "[ . 1 . 2 . 3]" 1 742 1 25 SER H 1 25 SER HB2 . . 3.600 2.468 2.329 2.689 . 0 0 "[ . 1 . 2 . 3]" 1 743 1 25 SER H 1 25 SER QB . . 3.340 2.253 2.167 2.374 . 0 0 "[ . 1 . 2 . 3]" 1 744 1 25 SER H 1 25 SER HB3 . . 3.600 2.619 2.470 2.847 . 0 0 "[ . 1 . 2 . 3]" 1 745 1 25 SER H 1 26 LEU H . . 3.400 2.683 2.457 2.870 . 0 0 "[ . 1 . 2 . 3]" 1 746 1 25 SER H 1 26 LEU HA . . 6.600 5.316 5.101 5.447 . 0 0 "[ . 1 . 2 . 3]" 1 747 1 25 SER H 1 26 LEU HB2 . . 6.600 4.669 4.247 4.932 . 0 0 "[ . 1 . 2 . 3]" 1 748 1 25 SER H 1 26 LEU HB3 . . 6.600 6.136 5.780 6.378 . 0 0 "[ . 1 . 2 . 3]" 1 749 1 25 SER H 1 26 LEU QD . . 8.770 4.323 3.789 5.065 . 0 0 "[ . 1 . 2 . 3]" 1 750 1 25 SER H 1 26 LEU HG . . 6.600 5.841 4.692 6.627 0.027 10 0 "[ . 1 . 2 . 3]" 1 751 1 25 SER H 1 27 THR H . . 5.300 4.273 4.070 4.503 . 0 0 "[ . 1 . 2 . 3]" 1 752 1 25 SER H 1 65 LEU MD1 . . 7.500 4.234 3.957 6.001 . 0 0 "[ . 1 . 2 . 3]" 1 753 1 25 SER H 1 65 LEU MD2 . . 7.500 4.956 4.341 6.248 . 0 0 "[ . 1 . 2 . 3]" 1 754 1 25 SER HA 1 26 LEU QD . . 9.170 4.780 4.312 5.549 . 0 0 "[ . 1 . 2 . 3]" 1 755 1 25 SER HA 1 28 LYS HB2 . . 6.600 5.194 3.872 6.518 . 0 0 "[ . 1 . 2 . 3]" 1 756 1 25 SER HA 1 28 LYS HB3 . . 6.600 4.583 2.835 5.755 . 0 0 "[ . 1 . 2 . 3]" 1 757 1 25 SER HA 1 28 LYS QD . . 7.600 3.841 2.314 5.622 . 0 0 "[ . 1 . 2 . 3]" 1 758 1 25 SER HA 1 28 LYS QE . . 7.600 3.900 2.151 6.592 . 0 0 "[ . 1 . 2 . 3]" 1 759 1 25 SER HA 1 28 LYS HG2 . . 6.600 3.658 2.484 5.199 . 0 0 "[ . 1 . 2 . 3]" 1 760 1 25 SER HA 1 28 LYS HG3 . . 6.600 4.284 2.306 6.093 . 0 0 "[ . 1 . 2 . 3]" 1 761 1 25 SER HA 1 29 HIS HD2 . . 6.600 6.253 4.998 6.656 0.056 18 0 "[ . 1 . 2 . 3]" 1 762 1 25 SER QB 1 26 LEU H . . 3.750 2.698 2.373 3.106 . 0 0 "[ . 1 . 2 . 3]" 1 763 1 25 SER QB 1 26 LEU QB . . 8.350 4.417 4.104 4.749 . 0 0 "[ . 1 . 2 . 3]" 1 764 1 25 SER QB 1 29 HIS HD2 . . 7.480 5.908 4.886 6.498 . 0 0 "[ . 1 . 2 . 3]" 1 765 1 25 SER QB 1 61 THR MG . . 8.480 4.059 3.038 4.890 . 0 0 "[ . 1 . 2 . 3]" 1 766 1 25 SER HB2 1 26 LEU H . . 4.000 3.932 3.790 4.042 0.042 8 0 "[ . 1 . 2 . 3]" 1 767 1 25 SER HB2 1 65 LEU MD1 . . 7.600 3.222 2.638 4.337 . 0 0 "[ . 1 . 2 . 3]" 1 768 1 25 SER HB2 1 65 LEU MD2 . . 7.600 3.099 2.332 4.277 . 0 0 "[ . 1 . 2 . 3]" 1 769 1 25 SER HB3 1 26 LEU H . . 4.000 2.752 2.398 3.228 . 0 0 "[ . 1 . 2 . 3]" 1 770 1 25 SER HB3 1 65 LEU MD1 . . 7.600 2.388 2.040 4.997 . 0 0 "[ . 1 . 2 . 3]" 1 771 1 25 SER HB3 1 65 LEU MD2 . . 7.600 3.164 2.434 4.559 . 0 0 "[ . 1 . 2 . 3]" 1 772 1 26 LEU H 1 26 LEU HB2 . . 3.800 2.265 2.158 2.483 . 0 0 "[ . 1 . 2 . 3]" 1 773 1 26 LEU H 1 26 LEU QB . . 3.550 2.239 2.138 2.443 . 0 0 "[ . 1 . 2 . 3]" 1 774 1 26 LEU H 1 26 LEU HB3 . . 3.800 3.536 3.457 3.631 . 0 0 "[ . 1 . 2 . 3]" 1 775 1 26 LEU H 1 26 LEU HG . . 4.500 3.494 2.358 4.125 . 0 0 "[ . 1 . 2 . 3]" 1 776 1 26 LEU H 1 27 THR H . . 4.000 2.737 2.542 2.990 . 0 0 "[ . 1 . 2 . 3]" 1 777 1 26 LEU H 1 27 THR MG . . 7.600 4.936 4.236 6.077 . 0 0 "[ . 1 . 2 . 3]" 1 778 1 26 LEU H 1 28 LYS H . . 6.600 5.044 4.073 5.785 . 0 0 "[ . 1 . 2 . 3]" 1 779 1 26 LEU H 1 29 HIS H . . 6.600 5.798 5.052 6.568 . 0 0 "[ . 1 . 2 . 3]" 1 780 1 26 LEU H 1 29 HIS HD2 . . 6.600 5.175 4.596 5.548 . 0 0 "[ . 1 . 2 . 3]" 1 781 1 26 LEU HA 1 27 THR MG . . 7.600 5.397 4.924 6.187 . 0 0 "[ . 1 . 2 . 3]" 1 782 1 26 LEU HA 1 28 LYS H . . 6.600 4.027 3.558 4.348 . 0 0 "[ . 1 . 2 . 3]" 1 783 1 26 LEU HA 1 28 LYS QB . . 7.480 5.215 4.040 6.089 . 0 0 "[ . 1 . 2 . 3]" 1 784 1 26 LEU HA 1 29 HIS H . . 5.100 3.768 3.211 4.216 . 0 0 "[ . 1 . 2 . 3]" 1 785 1 26 LEU HA 1 29 HIS HB2 . . 6.600 5.265 3.186 6.514 . 0 0 "[ . 1 . 2 . 3]" 1 786 1 26 LEU HA 1 29 HIS HB3 . . 6.600 4.823 3.721 6.617 0.017 2 0 "[ . 1 . 2 . 3]" 1 787 1 26 LEU HA 1 29 HIS HD2 . . 6.600 2.394 2.184 2.747 . 0 0 "[ . 1 . 2 . 3]" 1 788 1 26 LEU HA 1 32 ILE QG . . 7.480 4.853 3.566 5.957 . 0 0 "[ . 1 . 2 . 3]" 1 789 1 26 LEU HA 1 32 ILE MG . . 7.600 4.200 3.417 5.315 . 0 0 "[ . 1 . 2 . 3]" 1 790 1 26 LEU HA 1 61 THR MG . . 7.600 3.521 2.780 3.997 . 0 0 "[ . 1 . 2 . 3]" 1 791 1 26 LEU HA 1 62 ILE QG . . 7.600 5.506 4.983 6.284 . 0 0 "[ . 1 . 2 . 3]" 1 792 1 26 LEU QB 1 27 THR H . . 5.180 2.619 2.317 2.814 . 0 0 "[ . 1 . 2 . 3]" 1 793 1 26 LEU QB 1 29 HIS HD2 . . 7.480 3.944 2.907 4.398 . 0 0 "[ . 1 . 2 . 3]" 1 794 1 26 LEU QB 1 32 ILE H . . 7.480 6.177 5.537 6.704 . 0 0 "[ . 1 . 2 . 3]" 1 795 1 26 LEU QD 1 28 LYS QG . . 8.330 4.776 3.712 5.535 . 0 0 "[ . 1 . 2 . 3]" 1 796 1 26 LEU QD 1 29 HIS H . . 9.170 4.592 4.117 5.305 . 0 0 "[ . 1 . 2 . 3]" 1 797 1 26 LEU QD 1 29 HIS QB . . 8.330 4.148 3.063 5.007 . 0 0 "[ . 1 . 2 . 3]" 1 798 1 26 LEU QD 1 29 HIS HE1 . . 9.170 4.302 3.524 5.624 . 0 0 "[ . 1 . 2 . 3]" 1 799 1 26 LEU QD 1 32 ILE HB . . 9.170 4.072 3.427 4.781 . 0 0 "[ . 1 . 2 . 3]" 1 800 1 26 LEU QD 1 61 THR H . . 9.170 5.084 4.321 5.708 . 0 0 "[ . 1 . 2 . 3]" 1 801 1 26 LEU QD 1 62 ILE HA . . 9.170 3.870 2.668 5.203 . 0 0 "[ . 1 . 2 . 3]" 1 802 1 26 LEU MD1 1 27 THR H . . 7.600 4.641 4.273 4.869 . 0 0 "[ . 1 . 2 . 3]" 1 803 1 26 LEU MD1 1 28 LYS HG2 . . 9.350 6.435 4.148 7.842 . 0 0 "[ . 1 . 2 . 3]" 1 804 1 26 LEU MD1 1 28 LYS HG3 . . 9.350 6.510 4.401 7.810 . 0 0 "[ . 1 . 2 . 3]" 1 805 1 26 LEU MD1 1 29 HIS HB2 . . 9.350 5.726 3.197 7.800 . 0 0 "[ . 1 . 2 . 3]" 1 806 1 26 LEU MD1 1 29 HIS HB3 . . 9.350 5.518 4.315 7.618 . 0 0 "[ . 1 . 2 . 3]" 1 807 1 26 LEU MD1 1 29 HIS HD2 . . 7.600 3.368 2.186 5.411 . 0 0 "[ . 1 . 2 . 3]" 1 808 1 26 LEU MD1 1 61 THR HB . . 7.600 4.268 2.751 6.333 . 0 0 "[ . 1 . 2 . 3]" 1 809 1 26 LEU MD2 1 27 THR H . . 7.600 4.519 4.201 4.867 . 0 0 "[ . 1 . 2 . 3]" 1 810 1 26 LEU MD2 1 28 LYS HG2 . . 9.350 5.965 4.715 7.787 . 0 0 "[ . 1 . 2 . 3]" 1 811 1 26 LEU MD2 1 28 LYS HG3 . . 9.350 6.061 4.631 7.755 . 0 0 "[ . 1 . 2 . 3]" 1 812 1 26 LEU MD2 1 29 HIS HB2 . . 9.350 6.077 4.450 7.791 . 0 0 "[ . 1 . 2 . 3]" 1 813 1 26 LEU MD2 1 29 HIS HB3 . . 9.350 5.770 4.164 7.621 . 0 0 "[ . 1 . 2 . 3]" 1 814 1 26 LEU MD2 1 29 HIS HD2 . . 7.600 3.431 2.254 4.965 . 0 0 "[ . 1 . 2 . 3]" 1 815 1 26 LEU MD2 1 61 THR HB . . 7.600 3.821 3.222 5.328 . 0 0 "[ . 1 . 2 . 3]" 1 816 1 26 LEU HG 1 27 THR H . . 5.100 4.917 4.490 5.189 0.089 2 0 "[ . 1 . 2 . 3]" 1 817 1 26 LEU HG 1 27 THR HA . . 6.600 6.533 5.970 6.649 0.049 26 0 "[ . 1 . 2 . 3]" 1 818 1 26 LEU HG 1 29 HIS HD2 . . 6.600 4.960 3.043 5.882 . 0 0 "[ . 1 . 2 . 3]" 1 819 1 26 LEU HG 1 32 ILE HB . . 6.600 6.370 4.628 6.705 0.105 20 0 "[ . 1 . 2 . 3]" 1 820 1 26 LEU HG 1 32 ILE MD . . 7.600 4.129 2.175 5.474 . 0 0 "[ . 1 . 2 . 3]" 1 821 1 26 LEU HG 1 32 ILE QG . . 7.480 4.978 3.943 6.378 . 0 0 "[ . 1 . 2 . 3]" 1 822 1 26 LEU HG 1 35 CYS HB2 . . 6.600 4.475 2.948 6.632 0.032 10 0 "[ . 1 . 2 . 3]" 1 823 1 26 LEU HG 1 35 CYS HB3 . . 6.600 4.701 3.287 6.603 0.003 9 0 "[ . 1 . 2 . 3]" 1 824 1 26 LEU HG 1 62 ILE QG . . 7.600 3.997 2.771 4.868 . 0 0 "[ . 1 . 2 . 3]" 1 825 1 27 THR H 1 27 THR HB . . 4.100 3.300 2.546 3.675 . 0 0 "[ . 1 . 2 . 3]" 1 826 1 27 THR H 1 27 THR MG . . 4.400 2.799 2.248 3.803 . 0 0 "[ . 1 . 2 . 3]" 1 827 1 27 THR H 1 28 LYS H . . 4.300 3.511 2.804 3.921 . 0 0 "[ . 1 . 2 . 3]" 1 828 1 27 THR HA 1 29 HIS H . . 4.900 3.969 3.394 4.301 . 0 0 "[ . 1 . 2 . 3]" 1 829 1 27 THR HA 1 32 ILE H . . 5.800 5.464 4.926 5.836 0.036 28 0 "[ . 1 . 2 . 3]" 1 830 1 27 THR HA 1 32 ILE HB . . 6.600 4.284 3.437 5.453 . 0 0 "[ . 1 . 2 . 3]" 1 831 1 27 THR HA 1 32 ILE MD . . 7.600 3.855 2.445 4.468 . 0 0 "[ . 1 . 2 . 3]" 1 832 1 27 THR HA 1 32 ILE QG . . 7.480 4.815 4.366 5.560 . 0 0 "[ . 1 . 2 . 3]" 1 833 1 27 THR HA 1 35 CYS HB2 . . 6.600 5.790 4.409 6.667 0.067 14 0 "[ . 1 . 2 . 3]" 1 834 1 27 THR HA 1 35 CYS HB3 . . 6.600 5.506 4.503 6.675 0.075 2 0 "[ . 1 . 2 . 3]" 1 835 1 27 THR HB 1 28 LYS H . . 5.100 4.122 3.160 4.474 . 0 0 "[ . 1 . 2 . 3]" 1 836 1 27 THR HB 1 32 ILE MD . . 7.600 5.644 3.946 6.336 . 0 0 "[ . 1 . 2 . 3]" 1 837 1 27 THR MG 1 28 LYS H . . 7.600 4.150 3.797 4.504 . 0 0 "[ . 1 . 2 . 3]" 1 838 1 27 THR MG 1 29 HIS H . . 7.600 5.433 4.748 5.860 . 0 0 "[ . 1 . 2 . 3]" 1 839 1 27 THR MG 1 32 ILE MD . . 8.600 3.836 2.040 5.261 . 0 0 "[ . 1 . 2 . 3]" 1 840 1 27 THR MG 1 34 TYR H . . 7.600 5.247 4.361 6.323 . 0 0 "[ . 1 . 2 . 3]" 1 841 1 27 THR MG 1 34 TYR HA . . 7.600 3.594 2.306 5.328 . 0 0 "[ . 1 . 2 . 3]" 1 842 1 27 THR MG 1 35 CYS H . . 7.600 3.650 2.577 5.799 . 0 0 "[ . 1 . 2 . 3]" 1 843 1 27 THR MG 1 35 CYS HA . . 7.600 5.415 4.429 7.169 . 0 0 "[ . 1 . 2 . 3]" 1 844 1 27 THR MG 1 35 CYS HB2 . . 7.600 4.349 2.768 6.028 . 0 0 "[ . 1 . 2 . 3]" 1 845 1 27 THR MG 1 35 CYS HB3 . . 7.600 3.954 2.409 6.504 . 0 0 "[ . 1 . 2 . 3]" 1 846 1 27 THR MG 1 35 CYS HG . . 7.600 4.631 2.369 7.118 . 0 0 "[ . 1 . 2 . 3]" 1 847 1 28 LYS H 1 28 LYS HG2 . . 4.400 3.424 2.278 4.418 0.018 27 0 "[ . 1 . 2 . 3]" 1 848 1 28 LYS H 1 28 LYS QG . . 4.160 2.866 2.080 3.753 . 0 0 "[ . 1 . 2 . 3]" 1 849 1 28 LYS H 1 28 LYS HG3 . . 4.400 3.451 2.356 4.457 0.057 26 0 "[ . 1 . 2 . 3]" 1 850 1 28 LYS H 1 29 HIS H . . 3.600 2.212 1.917 2.874 . 0 0 "[ . 1 . 2 . 3]" 1 851 1 28 LYS H 1 29 HIS HD2 . . 6.600 4.352 3.172 5.611 . 0 0 "[ . 1 . 2 . 3]" 1 852 1 28 LYS QB 1 29 HIS H . . 4.370 3.369 2.355 3.780 . 0 0 "[ . 1 . 2 . 3]" 1 853 1 28 LYS QB 1 29 HIS HD2 . . 7.480 5.327 3.844 6.653 . 0 0 "[ . 1 . 2 . 3]" 1 854 1 28 LYS HB2 1 29 HIS H . . 4.600 3.743 2.389 4.523 . 0 0 "[ . 1 . 2 . 3]" 1 855 1 28 LYS HB3 1 29 HIS H . . 4.600 4.019 3.262 4.433 . 0 0 "[ . 1 . 2 . 3]" 1 856 1 28 LYS QD 1 29 HIS H . . 7.600 4.235 2.398 5.520 . 0 0 "[ . 1 . 2 . 3]" 1 857 1 28 LYS QG 1 29 HIS H . . 5.740 2.820 2.207 4.251 . 0 0 "[ . 1 . 2 . 3]" 1 858 1 28 LYS HG2 1 29 HIS H . . 6.100 3.658 2.264 5.019 . 0 0 "[ . 1 . 2 . 3]" 1 859 1 28 LYS HG3 1 29 HIS H . . 6.100 3.197 2.224 5.405 . 0 0 "[ . 1 . 2 . 3]" 1 860 1 29 HIS H 1 29 HIS HB2 . . 3.700 3.231 2.332 3.696 . 0 0 "[ . 1 . 2 . 3]" 1 861 1 29 HIS H 1 29 HIS QB . . 3.490 2.454 2.303 2.669 . 0 0 "[ . 1 . 2 . 3]" 1 862 1 29 HIS H 1 29 HIS HB3 . . 3.700 2.892 2.408 3.625 . 0 0 "[ . 1 . 2 . 3]" 1 863 1 29 HIS H 1 29 HIS HD2 . . 4.600 3.037 2.178 3.692 . 0 0 "[ . 1 . 2 . 3]" 1 864 1 29 HIS H 1 29 HIS HE1 . . 6.600 5.872 5.576 6.309 . 0 0 "[ . 1 . 2 . 3]" 1 865 1 29 HIS H 1 32 ILE HB . . 5.200 4.330 3.770 5.265 0.065 25 0 "[ . 1 . 2 . 3]" 1 866 1 29 HIS H 1 32 ILE MD . . 7.200 5.118 3.239 6.031 . 0 0 "[ . 1 . 2 . 3]" 1 867 1 29 HIS H 1 32 ILE QG . . 7.480 5.495 4.849 6.243 . 0 0 "[ . 1 . 2 . 3]" 1 868 1 29 HIS H 1 61 THR MG . . 7.600 5.316 5.036 5.767 . 0 0 "[ . 1 . 2 . 3]" 1 869 1 29 HIS HA 1 30 ARG HA . . 6.600 4.497 4.289 5.146 . 0 0 "[ . 1 . 2 . 3]" 1 870 1 29 HIS HA 1 61 THR MG . . 7.600 6.203 5.747 6.538 . 0 0 "[ . 1 . 2 . 3]" 1 871 1 29 HIS QB 1 32 ILE H . . 5.380 4.160 2.583 4.861 . 0 0 "[ . 1 . 2 . 3]" 1 872 1 29 HIS QB 1 32 ILE QG . . 7.420 4.912 3.235 5.928 . 0 0 "[ . 1 . 2 . 3]" 1 873 1 29 HIS QB 1 53 ILE HB . . 7.480 5.214 2.846 6.645 . 0 0 "[ . 1 . 2 . 3]" 1 874 1 29 HIS QB 1 53 ILE QG . . 8.350 4.649 2.129 5.640 . 0 0 "[ . 1 . 2 . 3]" 1 875 1 29 HIS QB 1 58 ILE QG . . 8.350 5.545 3.974 6.652 . 0 0 "[ . 1 . 2 . 3]" 1 876 1 29 HIS QB 1 61 THR MG . . 8.480 4.379 3.466 5.895 . 0 0 "[ . 1 . 2 . 3]" 1 877 1 29 HIS HB2 1 30 ARG H . . 6.600 3.507 2.245 4.535 . 0 0 "[ . 1 . 2 . 3]" 1 878 1 29 HIS HB2 1 32 ILE H . . 5.700 4.495 2.877 5.236 . 0 0 "[ . 1 . 2 . 3]" 1 879 1 29 HIS HB2 1 32 ILE HB . . 6.600 4.385 2.140 5.885 . 0 0 "[ . 1 . 2 . 3]" 1 880 1 29 HIS HB2 1 32 ILE HG12 . . 8.350 6.711 4.166 8.300 . 0 0 "[ . 1 . 2 . 3]" 1 881 1 29 HIS HB2 1 32 ILE HG13 . . 8.350 5.808 3.521 7.265 . 0 0 "[ . 1 . 2 . 3]" 1 882 1 29 HIS HB2 1 53 ILE MD . . 7.600 3.598 2.370 4.456 . 0 0 "[ . 1 . 2 . 3]" 1 883 1 29 HIS HB3 1 30 ARG H . . 6.600 4.113 3.358 4.553 . 0 0 "[ . 1 . 2 . 3]" 1 884 1 29 HIS HB3 1 32 ILE H . . 5.700 4.962 2.905 5.764 0.064 30 0 "[ . 1 . 2 . 3]" 1 885 1 29 HIS HB3 1 32 ILE HB . . 6.600 4.731 2.961 5.950 . 0 0 "[ . 1 . 2 . 3]" 1 886 1 29 HIS HB3 1 32 ILE HG12 . . 8.350 6.948 4.858 8.258 . 0 0 "[ . 1 . 2 . 3]" 1 887 1 29 HIS HB3 1 32 ILE HG13 . . 8.350 6.051 4.048 7.117 . 0 0 "[ . 1 . 2 . 3]" 1 888 1 29 HIS HB3 1 53 ILE MD . . 7.600 4.029 2.097 5.311 . 0 0 "[ . 1 . 2 . 3]" 1 889 1 29 HIS HD2 1 32 ILE HG12 . . 6.600 6.014 5.013 6.624 0.024 3 0 "[ . 1 . 2 . 3]" 1 890 1 29 HIS HD2 1 32 ILE HG13 . . 6.600 4.906 4.025 5.616 . 0 0 "[ . 1 . 2 . 3]" 1 891 1 29 HIS HD2 1 32 ILE MG . . 7.600 4.461 2.973 5.452 . 0 0 "[ . 1 . 2 . 3]" 1 892 1 29 HIS HD2 1 53 ILE MD . . 7.600 4.553 3.294 5.375 . 0 0 "[ . 1 . 2 . 3]" 1 893 1 29 HIS HD2 1 58 ILE MD . . 7.600 5.438 3.143 6.363 . 0 0 "[ . 1 . 2 . 3]" 1 894 1 29 HIS HD2 1 61 THR MG . . 7.600 3.085 2.484 4.114 . 0 0 "[ . 1 . 2 . 3]" 1 895 1 29 HIS HD2 1 62 ILE QG . . 7.600 6.035 5.247 6.795 . 0 0 "[ . 1 . 2 . 3]" 1 896 1 29 HIS HE1 1 52 ILE MD . . 7.600 6.164 5.061 6.417 . 0 0 "[ . 1 . 2 . 3]" 1 897 1 29 HIS HE1 1 53 ILE MD . . 7.600 2.850 2.335 3.616 . 0 0 "[ . 1 . 2 . 3]" 1 898 1 29 HIS HE1 1 58 ILE HB . . 6.600 6.187 5.437 6.638 0.038 16 0 "[ . 1 . 2 . 3]" 1 899 1 29 HIS HE1 1 58 ILE QG . . 7.480 3.764 2.690 5.176 . 0 0 "[ . 1 . 2 . 3]" 1 900 1 29 HIS HE1 1 61 THR MG . . 7.600 5.010 2.989 6.509 . 0 0 "[ . 1 . 2 . 3]" 1 901 1 30 ARG HA 1 52 ILE MD . . 7.600 4.938 3.975 6.087 . 0 0 "[ . 1 . 2 . 3]" 1 902 1 31 GLY H 1 32 ILE H . . 4.900 2.945 1.969 3.607 . 0 0 "[ . 1 . 2 . 3]" 1 903 1 31 GLY H 1 32 ILE HB . . 6.600 5.001 4.061 5.907 . 0 0 "[ . 1 . 2 . 3]" 1 904 1 31 GLY H 1 53 ILE MD . . 7.600 4.974 3.221 6.391 . 0 0 "[ . 1 . 2 . 3]" 1 905 1 31 GLY QA 1 33 LEU QB . . 7.420 5.567 4.619 5.937 . 0 0 "[ . 1 . 2 . 3]" 1 906 1 31 GLY QA 1 49 ASP QB . . 8.350 2.789 2.149 3.697 . 0 0 "[ . 1 . 2 . 3]" 1 907 1 31 GLY QA 1 52 ILE HB . . 7.480 4.977 4.261 6.268 . 0 0 "[ . 1 . 2 . 3]" 1 908 1 31 GLY QA 1 53 ILE H . . 6.980 4.157 3.229 5.145 . 0 0 "[ . 1 . 2 . 3]" 1 909 1 31 GLY QA 1 53 ILE MG . . 8.480 2.384 2.028 3.604 . 0 0 "[ . 1 . 2 . 3]" 1 910 1 31 GLY HA2 1 33 LEU HB2 . . 8.350 7.081 6.321 7.719 . 0 0 "[ . 1 . 2 . 3]" 1 911 1 31 GLY HA2 1 33 LEU HB3 . . 8.350 6.476 5.075 7.389 . 0 0 "[ . 1 . 2 . 3]" 1 912 1 31 GLY HA2 1 49 ASP H . . 5.300 3.475 2.481 4.577 . 0 0 "[ . 1 . 2 . 3]" 1 913 1 31 GLY HA2 1 53 ILE MD . . 7.600 5.188 3.504 6.335 . 0 0 "[ . 1 . 2 . 3]" 1 914 1 32 ILE H 1 32 ILE HB . . 3.900 2.262 2.103 2.604 . 0 0 "[ . 1 . 2 . 3]" 1 915 1 32 ILE H 1 32 ILE MD . . 5.400 4.287 3.959 4.519 . 0 0 "[ . 1 . 2 . 3]" 1 916 1 32 ILE H 1 32 ILE HG12 . . 4.500 4.244 3.844 4.557 0.057 7 0 "[ . 1 . 2 . 3]" 1 917 1 32 ILE H 1 32 ILE QG . . 4.030 3.638 3.364 3.845 . 0 0 "[ . 1 . 2 . 3]" 1 918 1 32 ILE H 1 32 ILE HG13 . . 4.500 4.075 3.487 4.475 . 0 0 "[ . 1 . 2 . 3]" 1 919 1 32 ILE H 1 33 LEU H . . 5.400 4.447 4.133 4.552 . 0 0 "[ . 1 . 2 . 3]" 1 920 1 32 ILE H 1 33 LEU HA . . 5.900 5.220 4.423 5.515 . 0 0 "[ . 1 . 2 . 3]" 1 921 1 32 ILE H 1 33 LEU QD . . 7.970 5.289 4.353 5.944 . 0 0 "[ . 1 . 2 . 3]" 1 922 1 32 ILE H 1 46 ILE MG . . 7.600 5.494 4.801 5.884 . 0 0 "[ . 1 . 2 . 3]" 1 923 1 32 ILE H 1 48 TYR HA . . 6.000 4.636 3.943 4.932 . 0 0 "[ . 1 . 2 . 3]" 1 924 1 32 ILE H 1 53 ILE MD . . 7.600 4.500 3.888 5.346 . 0 0 "[ . 1 . 2 . 3]" 1 925 1 32 ILE HA 1 33 LEU H . . 3.500 2.153 2.080 2.419 . 0 0 "[ . 1 . 2 . 3]" 1 926 1 32 ILE HA 1 33 LEU HA . . 6.600 4.439 4.323 4.560 . 0 0 "[ . 1 . 2 . 3]" 1 927 1 32 ILE HA 1 33 LEU QB . . 7.480 4.360 4.113 4.605 . 0 0 "[ . 1 . 2 . 3]" 1 928 1 32 ILE HA 1 33 LEU QD . . 9.170 4.190 3.258 4.411 . 0 0 "[ . 1 . 2 . 3]" 1 929 1 32 ILE HA 1 33 LEU HG . . 6.600 4.091 3.502 4.733 . 0 0 "[ . 1 . 2 . 3]" 1 930 1 32 ILE HA 1 34 TYR H . . 4.600 3.788 3.446 4.230 . 0 0 "[ . 1 . 2 . 3]" 1 931 1 32 ILE HA 1 46 ILE MG . . 7.600 3.689 3.188 4.198 . 0 0 "[ . 1 . 2 . 3]" 1 932 1 32 ILE HA 1 47 LYS H . . 6.600 4.842 4.155 5.176 . 0 0 "[ . 1 . 2 . 3]" 1 933 1 32 ILE HA 1 48 TYR HA . . 6.600 2.209 2.044 2.654 . 0 0 "[ . 1 . 2 . 3]" 1 934 1 32 ILE HA 1 48 TYR HB2 . . 6.600 3.203 2.481 3.894 . 0 0 "[ . 1 . 2 . 3]" 1 935 1 32 ILE HA 1 48 TYR HB3 . . 6.600 2.983 2.413 3.895 . 0 0 "[ . 1 . 2 . 3]" 1 936 1 32 ILE HA 1 49 ASP H . . 4.900 3.622 3.060 3.865 . 0 0 "[ . 1 . 2 . 3]" 1 937 1 32 ILE HA 1 53 ILE MD . . 7.600 5.398 4.024 6.335 . 0 0 "[ . 1 . 2 . 3]" 1 938 1 32 ILE HA 1 58 ILE MD . . 7.600 4.988 4.064 5.804 . 0 0 "[ . 1 . 2 . 3]" 1 939 1 32 ILE HB 1 33 LEU H . . 4.700 4.456 4.113 4.613 . 0 0 "[ . 1 . 2 . 3]" 1 940 1 32 ILE HB 1 33 LEU HA . . 6.600 5.787 5.361 6.089 . 0 0 "[ . 1 . 2 . 3]" 1 941 1 32 ILE HB 1 33 LEU QB . . 7.480 6.348 5.998 6.560 . 0 0 "[ . 1 . 2 . 3]" 1 942 1 32 ILE HB 1 58 ILE MD . . 7.600 4.980 2.908 6.355 . 0 0 "[ . 1 . 2 . 3]" 1 943 1 32 ILE MD 1 33 LEU H . . 6.400 3.577 2.141 5.063 . 0 0 "[ . 1 . 2 . 3]" 1 944 1 32 ILE MD 1 33 LEU HA . . 7.600 5.127 3.876 6.448 . 0 0 "[ . 1 . 2 . 3]" 1 945 1 32 ILE MD 1 34 TYR H . . 7.600 3.261 1.933 5.360 . 0 0 "[ . 1 . 2 . 3]" 1 946 1 32 ILE MD 1 34 TYR QD . . 9.600 5.355 4.211 7.127 . 0 0 "[ . 1 . 2 . 3]" 1 947 1 32 ILE MD 1 35 CYS H . . 7.600 3.979 2.931 5.918 . 0 0 "[ . 1 . 2 . 3]" 1 948 1 32 ILE MD 1 35 CYS HA . . 7.600 3.518 2.686 5.550 . 0 0 "[ . 1 . 2 . 3]" 1 949 1 32 ILE MD 1 35 CYS HB2 . . 7.600 3.192 2.047 4.860 . 0 0 "[ . 1 . 2 . 3]" 1 950 1 32 ILE MD 1 35 CYS HB3 . . 7.600 3.318 2.156 4.852 . 0 0 "[ . 1 . 2 . 3]" 1 951 1 32 ILE MD 1 46 ILE MG . . 5.800 2.174 1.951 2.973 . 0 0 "[ . 1 . 2 . 3]" 1 952 1 32 ILE MD 1 47 LYS H . . 7.600 3.291 2.102 5.385 . 0 0 "[ . 1 . 2 . 3]" 1 953 1 32 ILE MD 1 48 TYR HA . . 7.600 4.390 3.343 5.196 . 0 0 "[ . 1 . 2 . 3]" 1 954 1 32 ILE QG 1 45 HIS HD2 . . 7.480 6.728 6.583 6.784 . 0 0 "[ . 1 . 2 . 3]" 1 955 1 32 ILE QG 1 46 ILE MD . . 8.480 4.396 2.542 5.362 . 0 0 "[ . 1 . 2 . 3]" 1 956 1 32 ILE QG 1 48 TYR HA . . 7.480 3.392 2.610 4.400 . 0 0 "[ . 1 . 2 . 3]" 1 957 1 32 ILE QG 1 48 TYR QB . . 7.420 2.536 2.109 3.447 . 0 0 "[ . 1 . 2 . 3]" 1 958 1 32 ILE QG 1 49 ASP H . . 7.480 4.939 4.025 5.549 . 0 0 "[ . 1 . 2 . 3]" 1 959 1 32 ILE HG12 1 33 LEU H . . 6.600 3.450 2.497 4.018 . 0 0 "[ . 1 . 2 . 3]" 1 960 1 32 ILE HG12 1 46 ILE MG . . 7.600 2.198 2.031 2.550 . 0 0 "[ . 1 . 2 . 3]" 1 961 1 32 ILE HG12 1 48 TYR HB2 . . 8.350 4.048 3.251 5.041 . 0 0 "[ . 1 . 2 . 3]" 1 962 1 32 ILE HG12 1 48 TYR HB3 . . 8.350 2.929 2.169 3.784 . 0 0 "[ . 1 . 2 . 3]" 1 963 1 32 ILE HG13 1 33 LEU H . . 6.600 4.498 3.629 5.078 . 0 0 "[ . 1 . 2 . 3]" 1 964 1 32 ILE HG13 1 46 ILE MG . . 7.600 2.569 2.127 3.324 . 0 0 "[ . 1 . 2 . 3]" 1 965 1 32 ILE HG13 1 48 TYR HB2 . . 8.350 4.408 2.887 6.068 . 0 0 "[ . 1 . 2 . 3]" 1 966 1 32 ILE HG13 1 48 TYR HB3 . . 8.350 3.499 2.357 5.358 . 0 0 "[ . 1 . 2 . 3]" 1 967 1 32 ILE MG 1 33 LEU H . . 7.600 3.336 2.727 4.373 . 0 0 "[ . 1 . 2 . 3]" 1 968 1 32 ILE MG 1 35 CYS HG . . 7.600 5.073 2.978 6.359 . 0 0 "[ . 1 . 2 . 3]" 1 969 1 32 ILE MG 1 46 ILE MG . . 8.600 3.903 2.600 4.349 . 0 0 "[ . 1 . 2 . 3]" 1 970 1 32 ILE MG 1 48 TYR H . . 7.600 6.249 5.373 6.449 . 0 0 "[ . 1 . 2 . 3]" 1 971 1 33 LEU H 1 33 LEU MD1 . . 5.500 3.774 3.495 4.052 . 0 0 "[ . 1 . 2 . 3]" 1 972 1 33 LEU H 1 33 LEU QD . . 5.170 3.048 2.024 3.365 . 0 0 "[ . 1 . 2 . 3]" 1 973 1 33 LEU H 1 33 LEU MD2 . . 5.500 3.274 2.029 3.784 . 0 0 "[ . 1 . 2 . 3]" 1 974 1 33 LEU H 1 33 LEU HG . . 3.800 2.417 2.208 2.803 . 0 0 "[ . 1 . 2 . 3]" 1 975 1 33 LEU H 1 34 TYR H . . 3.600 2.250 1.955 2.563 . 0 0 "[ . 1 . 2 . 3]" 1 976 1 33 LEU H 1 47 LYS QD . . 7.600 5.741 5.185 6.701 . 0 0 "[ . 1 . 2 . 3]" 1 977 1 33 LEU H 1 48 TYR HA . . 3.600 2.529 2.074 3.111 . 0 0 "[ . 1 . 2 . 3]" 1 978 1 33 LEU H 1 48 TYR HB2 . . 6.600 4.620 3.595 5.335 . 0 0 "[ . 1 . 2 . 3]" 1 979 1 33 LEU H 1 48 TYR QB . . 6.250 3.920 3.261 4.693 . 0 0 "[ . 1 . 2 . 3]" 1 980 1 33 LEU H 1 48 TYR HB3 . . 6.600 4.248 3.671 5.205 . 0 0 "[ . 1 . 2 . 3]" 1 981 1 33 LEU HA 1 48 TYR HA . . 6.600 5.142 4.497 5.907 . 0 0 "[ . 1 . 2 . 3]" 1 982 1 33 LEU QB 1 34 TYR H . . 4.880 3.134 2.450 3.855 . 0 0 "[ . 1 . 2 . 3]" 1 983 1 33 LEU QB 1 47 LYS H . . 7.480 5.308 4.473 6.251 . 0 0 "[ . 1 . 2 . 3]" 1 984 1 33 LEU QB 1 48 TYR HA . . 7.480 4.002 3.212 5.019 . 0 0 "[ . 1 . 2 . 3]" 1 985 1 33 LEU QB 1 49 ASP H . . 6.280 4.787 3.855 5.595 . 0 0 "[ . 1 . 2 . 3]" 1 986 1 33 LEU QD 1 47 LYS HA . . 9.170 4.227 3.600 5.017 . 0 0 "[ . 1 . 2 . 3]" 1 987 1 33 LEU QD 1 47 LYS QB . . 10.050 2.758 2.088 3.597 . 0 0 "[ . 1 . 2 . 3]" 1 988 1 33 LEU QD 1 47 LYS QE . . 10.170 4.588 2.640 6.243 . 0 0 "[ . 1 . 2 . 3]" 1 989 1 33 LEU QD 1 48 TYR H . . 9.170 4.042 2.963 5.377 . 0 0 "[ . 1 . 2 . 3]" 1 990 1 33 LEU QD 1 49 ASP H . . 6.710 3.573 2.653 4.197 . 0 0 "[ . 1 . 2 . 3]" 1 991 1 33 LEU QD 1 49 ASP QB . . 9.130 3.708 2.073 4.780 . 0 0 "[ . 1 . 2 . 3]" 1 992 1 33 LEU MD1 1 34 TYR H . . 7.600 3.959 2.962 4.800 . 0 0 "[ . 1 . 2 . 3]" 1 993 1 33 LEU MD1 1 34 TYR QD . . 9.600 5.469 4.007 6.754 . 0 0 "[ . 1 . 2 . 3]" 1 994 1 33 LEU MD1 1 47 LYS QD . . 8.600 3.725 2.250 5.015 . 0 0 "[ . 1 . 2 . 3]" 1 995 1 33 LEU MD1 1 48 TYR HA . . 7.600 4.521 3.062 5.944 . 0 0 "[ . 1 . 2 . 3]" 1 996 1 33 LEU MD1 1 49 ASP H . . 7.600 5.002 3.299 6.347 . 0 0 "[ . 1 . 2 . 3]" 1 997 1 33 LEU MD1 1 49 ASP HB2 . . 10.740 5.672 2.403 7.982 . 0 0 "[ . 1 . 2 . 3]" 1 998 1 33 LEU MD1 1 49 ASP HB3 . . 10.740 5.836 3.502 8.117 . 0 0 "[ . 1 . 2 . 3]" 1 999 1 33 LEU MD2 1 34 TYR H . . 7.600 4.392 3.525 4.834 . 0 0 "[ . 1 . 2 . 3]" 1 1000 1 33 LEU MD2 1 34 TYR QD . . 9.600 6.427 5.744 6.970 . 0 0 "[ . 1 . 2 . 3]" 1 1001 1 33 LEU MD2 1 47 LYS QD . . 8.600 5.147 3.505 6.407 . 0 0 "[ . 1 . 2 . 3]" 1 1002 1 33 LEU MD2 1 48 TYR HA . . 7.600 3.789 2.150 4.854 . 0 0 "[ . 1 . 2 . 3]" 1 1003 1 33 LEU MD2 1 49 ASP H . . 7.600 3.851 2.661 4.683 . 0 0 "[ . 1 . 2 . 3]" 1 1004 1 33 LEU MD2 1 49 ASP HB2 . . 10.740 4.350 2.304 5.413 . 0 0 "[ . 1 . 2 . 3]" 1 1005 1 33 LEU MD2 1 49 ASP HB3 . . 10.740 4.624 2.837 5.487 . 0 0 "[ . 1 . 2 . 3]" 1 1006 1 33 LEU HG 1 34 TYR H . . 4.500 3.409 2.272 4.426 . 0 0 "[ . 1 . 2 . 3]" 1 1007 1 33 LEU HG 1 34 TYR QD . . 8.600 6.600 4.961 7.710 . 0 0 "[ . 1 . 2 . 3]" 1 1008 1 33 LEU HG 1 47 LYS HB2 . . 6.600 3.756 2.166 5.297 . 0 0 "[ . 1 . 2 . 3]" 1 1009 1 33 LEU HG 1 47 LYS HB3 . . 6.600 3.828 2.338 5.359 . 0 0 "[ . 1 . 2 . 3]" 1 1010 1 33 LEU HG 1 48 TYR H . . 6.600 4.743 3.310 5.470 . 0 0 "[ . 1 . 2 . 3]" 1 1011 1 33 LEU HG 1 48 TYR HA . . 6.600 3.387 2.257 4.713 . 0 0 "[ . 1 . 2 . 3]" 1 1012 1 34 TYR H 1 35 CYS H . . 5.400 4.257 4.026 4.373 . 0 0 "[ . 1 . 2 . 3]" 1 1013 1 34 TYR H 1 46 ILE HA . . 5.200 4.857 4.308 5.049 . 0 0 "[ . 1 . 2 . 3]" 1 1014 1 34 TYR H 1 46 ILE QG . . 7.000 6.053 5.235 6.390 . 0 0 "[ . 1 . 2 . 3]" 1 1015 1 34 TYR H 1 47 LYS H . . 3.000 3.051 2.810 3.106 0.106 13 0 "[ . 1 . 2 . 3]" 1 1016 1 34 TYR H 1 47 LYS HA . . 6.000 4.637 4.514 4.837 . 0 0 "[ . 1 . 2 . 3]" 1 1017 1 34 TYR H 1 47 LYS HB2 . . 5.000 2.347 1.998 2.972 . 0 0 "[ . 1 . 2 . 3]" 1 1018 1 34 TYR H 1 47 LYS HB3 . . 5.000 3.806 3.509 4.275 . 0 0 "[ . 1 . 2 . 3]" 1 1019 1 34 TYR H 1 47 LYS QD . . 7.600 4.453 3.823 5.843 . 0 0 "[ . 1 . 2 . 3]" 1 1020 1 34 TYR H 1 47 LYS QG . . 7.480 4.034 3.511 4.692 . 0 0 "[ . 1 . 2 . 3]" 1 1021 1 34 TYR H 1 48 TYR HA . . 4.700 4.291 3.962 4.749 0.049 6 0 "[ . 1 . 2 . 3]" 1 1022 1 34 TYR HA 1 35 CYS H . . 3.100 2.310 2.109 2.447 . 0 0 "[ . 1 . 2 . 3]" 1 1023 1 34 TYR HA 1 47 LYS QB . . 7.480 4.290 4.076 4.584 . 0 0 "[ . 1 . 2 . 3]" 1 1024 1 34 TYR QB 1 35 CYS H . . 4.310 3.553 3.164 3.868 . 0 0 "[ . 1 . 2 . 3]" 1 1025 1 34 TYR QB 1 47 LYS H . . 5.480 3.913 3.392 4.288 . 0 0 "[ . 1 . 2 . 3]" 1 1026 1 34 TYR QB 1 47 LYS HA . . 7.480 5.162 4.779 5.944 . 0 0 "[ . 1 . 2 . 3]" 1 1027 1 34 TYR QB 1 47 LYS QB . . 6.970 2.404 2.145 3.203 . 0 0 "[ . 1 . 2 . 3]" 1 1028 1 34 TYR QB 1 47 LYS QG . . 6.970 2.944 2.238 3.753 . 0 0 "[ . 1 . 2 . 3]" 1 1029 1 34 TYR HB2 1 35 CYS H . . 4.500 4.072 3.775 4.348 . 0 0 "[ . 1 . 2 . 3]" 1 1030 1 34 TYR HB2 1 47 LYS H . . 5.700 5.396 4.586 5.721 0.021 6 0 "[ . 1 . 2 . 3]" 1 1031 1 34 TYR HB2 1 47 LYS HB2 . . 8.350 3.779 2.940 4.549 . 0 0 "[ . 1 . 2 . 3]" 1 1032 1 34 TYR HB2 1 47 LYS HB3 . . 8.350 5.058 4.150 5.958 . 0 0 "[ . 1 . 2 . 3]" 1 1033 1 34 TYR HB2 1 47 LYS QD . . 7.600 3.893 3.260 5.880 . 0 0 "[ . 1 . 2 . 3]" 1 1034 1 34 TYR HB2 1 47 LYS HG2 . . 8.350 6.095 4.963 7.038 . 0 0 "[ . 1 . 2 . 3]" 1 1035 1 34 TYR HB2 1 47 LYS HG3 . . 8.350 4.737 3.404 5.653 . 0 0 "[ . 1 . 2 . 3]" 1 1036 1 34 TYR HB3 1 35 CYS H . . 4.500 3.930 3.322 4.367 . 0 0 "[ . 1 . 2 . 3]" 1 1037 1 34 TYR HB3 1 47 LYS H . . 5.700 4.018 3.456 4.430 . 0 0 "[ . 1 . 2 . 3]" 1 1038 1 34 TYR HB3 1 47 LYS HB2 . . 8.350 2.476 2.185 3.351 . 0 0 "[ . 1 . 2 . 3]" 1 1039 1 34 TYR HB3 1 47 LYS HB3 . . 8.350 3.836 3.458 4.782 . 0 0 "[ . 1 . 2 . 3]" 1 1040 1 34 TYR HB3 1 47 LYS QD . . 7.600 2.701 2.180 4.510 . 0 0 "[ . 1 . 2 . 3]" 1 1041 1 34 TYR HB3 1 47 LYS HG2 . . 8.350 4.436 3.903 5.374 . 0 0 "[ . 1 . 2 . 3]" 1 1042 1 34 TYR HB3 1 47 LYS HG3 . . 8.350 3.035 2.285 3.915 . 0 0 "[ . 1 . 2 . 3]" 1 1043 1 34 TYR QD 1 35 CYS H . . 7.600 3.096 2.274 3.728 . 0 0 "[ . 1 . 2 . 3]" 1 1044 1 34 TYR QD 1 35 CYS HA . . 8.600 4.073 2.894 5.017 . 0 0 "[ . 1 . 2 . 3]" 1 1045 1 34 TYR QD 1 35 CYS QB . . 9.480 4.856 4.269 5.543 . 0 0 "[ . 1 . 2 . 3]" 1 1046 1 34 TYR QD 1 36 SER H . . 8.600 4.441 2.494 5.183 . 0 0 "[ . 1 . 2 . 3]" 1 1047 1 34 TYR QD 1 36 SER QB . . 9.600 3.967 2.434 4.899 . 0 0 "[ . 1 . 2 . 3]" 1 1048 1 34 TYR QD 1 45 HIS H . . 8.600 6.670 5.939 7.273 . 0 0 "[ . 1 . 2 . 3]" 1 1049 1 34 TYR QD 1 46 ILE HA . . 8.600 5.400 3.956 6.148 . 0 0 "[ . 1 . 2 . 3]" 1 1050 1 34 TYR QD 1 46 ILE QG . . 9.600 6.757 5.764 7.634 . 0 0 "[ . 1 . 2 . 3]" 1 1051 1 34 TYR QD 1 47 LYS H . . 8.600 4.577 3.073 5.391 . 0 0 "[ . 1 . 2 . 3]" 1 1052 1 34 TYR QD 1 47 LYS HA . . 8.600 6.069 4.688 7.138 . 0 0 "[ . 1 . 2 . 3]" 1 1053 1 34 TYR QD 1 47 LYS HB2 . . 8.600 3.937 2.489 4.907 . 0 0 "[ . 1 . 2 . 3]" 1 1054 1 34 TYR QD 1 47 LYS HB3 . . 8.600 5.059 4.047 6.152 . 0 0 "[ . 1 . 2 . 3]" 1 1055 1 34 TYR QD 1 47 LYS QD . . 9.600 3.077 2.196 4.693 . 0 0 "[ . 1 . 2 . 3]" 1 1056 1 34 TYR QD 1 47 LYS QE . . 9.600 3.917 2.307 5.485 . 0 0 "[ . 1 . 2 . 3]" 1 1057 1 34 TYR QD 1 47 LYS HG2 . . 8.600 4.468 3.821 6.068 . 0 0 "[ . 1 . 2 . 3]" 1 1058 1 34 TYR QD 1 47 LYS HG3 . . 8.600 2.922 2.207 4.420 . 0 0 "[ . 1 . 2 . 3]" 1 1059 1 34 TYR QE 1 35 CYS H . . 8.600 4.044 3.418 4.861 . 0 0 "[ . 1 . 2 . 3]" 1 1060 1 34 TYR QE 1 35 CYS HA . . 8.600 5.062 3.672 5.957 . 0 0 "[ . 1 . 2 . 3]" 1 1061 1 34 TYR QE 1 36 SER H . . 8.600 4.527 3.268 5.530 . 0 0 "[ . 1 . 2 . 3]" 1 1062 1 34 TYR QE 1 36 SER QB . . 9.600 2.767 2.221 3.915 . 0 0 "[ . 1 . 2 . 3]" 1 1063 1 34 TYR QE 1 45 HIS H . . 8.600 6.574 5.165 7.667 . 0 0 "[ . 1 . 2 . 3]" 1 1064 1 34 TYR QE 1 45 HIS QB . . 9.480 5.448 3.935 7.536 . 0 0 "[ . 1 . 2 . 3]" 1 1065 1 34 TYR QE 1 47 LYS QB . . 9.480 5.807 4.413 6.587 . 0 0 "[ . 1 . 2 . 3]" 1 1066 1 34 TYR QE 1 47 LYS QD . . 9.600 4.741 3.568 6.340 . 0 0 "[ . 1 . 2 . 3]" 1 1067 1 34 TYR QE 1 47 LYS QE . . 9.600 5.195 2.982 7.209 . 0 0 "[ . 1 . 2 . 3]" 1 1068 1 34 TYR QE 1 47 LYS HG2 . . 8.600 6.296 4.674 7.684 . 0 0 "[ . 1 . 2 . 3]" 1 1069 1 34 TYR QE 1 47 LYS HG3 . . 8.600 4.932 3.091 6.184 . 0 0 "[ . 1 . 2 . 3]" 1 1070 1 35 CYS H 1 35 CYS HG . . 5.300 4.484 2.788 5.294 . 0 0 "[ . 1 . 2 . 3]" 1 1071 1 35 CYS H 1 36 SER H . . 6.600 4.289 3.111 4.553 . 0 0 "[ . 1 . 2 . 3]" 1 1072 1 35 CYS HA 1 36 SER H . . 3.200 2.296 2.162 2.667 . 0 0 "[ . 1 . 2 . 3]" 1 1073 1 35 CYS HA 1 44 ALA MB . . 7.600 5.012 3.805 5.535 . 0 0 "[ . 1 . 2 . 3]" 1 1074 1 35 CYS HA 1 45 HIS H . . 6.600 4.727 4.140 5.209 . 0 0 "[ . 1 . 2 . 3]" 1 1075 1 35 CYS HA 1 45 HIS HD2 . . 6.600 4.234 2.948 4.987 . 0 0 "[ . 1 . 2 . 3]" 1 1076 1 35 CYS HA 1 46 ILE MD . . 7.600 4.043 2.154 5.029 . 0 0 "[ . 1 . 2 . 3]" 1 1077 1 35 CYS HA 1 46 ILE QG . . 7.600 3.583 2.708 4.414 . 0 0 "[ . 1 . 2 . 3]" 1 1078 1 35 CYS HA 1 47 LYS H . . 6.600 3.233 2.992 3.725 . 0 0 "[ . 1 . 2 . 3]" 1 1079 1 35 CYS HA 1 47 LYS QG . . 7.480 4.025 3.339 5.040 . 0 0 "[ . 1 . 2 . 3]" 1 1080 1 35 CYS QB 1 36 SER H . . 4.780 3.305 2.500 4.097 . 0 0 "[ . 1 . 2 . 3]" 1 1081 1 35 CYS QB 1 46 ILE MD . . 8.480 3.642 2.150 4.815 . 0 0 "[ . 1 . 2 . 3]" 1 1082 1 35 CYS HB2 1 36 SER H . . 5.100 3.736 2.587 4.478 . 0 0 "[ . 1 . 2 . 3]" 1 1083 1 35 CYS HB2 1 37 VAL MG1 . . 7.600 4.798 3.202 6.344 . 0 0 "[ . 1 . 2 . 3]" 1 1084 1 35 CYS HB2 1 37 VAL MG2 . . 7.600 5.891 3.823 6.416 . 0 0 "[ . 1 . 2 . 3]" 1 1085 1 35 CYS HB2 1 46 ILE HA . . 6.600 3.956 2.807 5.637 . 0 0 "[ . 1 . 2 . 3]" 1 1086 1 35 CYS HB2 1 46 ILE QG . . 7.600 3.563 2.457 5.846 . 0 0 "[ . 1 . 2 . 3]" 1 1087 1 35 CYS HB3 1 36 SER H . . 5.100 3.923 2.559 4.746 . 0 0 "[ . 1 . 2 . 3]" 1 1088 1 35 CYS HB3 1 37 VAL MG1 . . 7.600 4.861 3.354 6.382 . 0 0 "[ . 1 . 2 . 3]" 1 1089 1 35 CYS HB3 1 37 VAL MG2 . . 7.600 5.887 2.760 6.442 . 0 0 "[ . 1 . 2 . 3]" 1 1090 1 35 CYS HB3 1 46 ILE HA . . 6.600 4.398 3.118 5.441 . 0 0 "[ . 1 . 2 . 3]" 1 1091 1 35 CYS HB3 1 46 ILE QG . . 7.600 4.050 2.493 6.001 . 0 0 "[ . 1 . 2 . 3]" 1 1092 1 35 CYS HG 1 36 SER H . . 6.600 4.390 2.510 5.756 . 0 0 "[ . 1 . 2 . 3]" 1 1093 1 35 CYS HG 1 36 SER HA . . 6.600 4.801 3.543 6.642 0.042 2 0 "[ . 1 . 2 . 3]" 1 1094 1 35 CYS HG 1 37 VAL H . . 6.600 5.124 3.404 6.616 0.016 17 0 "[ . 1 . 2 . 3]" 1 1095 1 35 CYS HG 1 37 VAL QG . . 9.160 3.791 2.442 5.600 . 0 0 "[ . 1 . 2 . 3]" 1 1096 1 35 CYS HG 1 46 ILE MD . . 7.600 4.172 1.768 6.355 . 0 0 "[ . 1 . 2 . 3]" 1 1097 1 36 SER H 1 37 VAL H . . 5.300 3.979 3.048 4.257 . 0 0 "[ . 1 . 2 . 3]" 1 1098 1 36 SER H 1 45 HIS H . . 3.900 3.036 2.821 3.674 . 0 0 "[ . 1 . 2 . 3]" 1 1099 1 36 SER H 1 45 HIS HB2 . . 5.700 4.817 3.781 5.551 . 0 0 "[ . 1 . 2 . 3]" 1 1100 1 36 SER H 1 45 HIS QB . . 5.530 3.554 2.280 4.868 . 0 0 "[ . 1 . 2 . 3]" 1 1101 1 36 SER H 1 45 HIS HB3 . . 5.700 3.755 2.299 5.400 . 0 0 "[ . 1 . 2 . 3]" 1 1102 1 36 SER H 1 45 HIS HD2 . . 6.600 4.153 3.298 4.975 . 0 0 "[ . 1 . 2 . 3]" 1 1103 1 36 SER H 1 46 ILE HA . . 6.600 3.808 3.159 4.691 . 0 0 "[ . 1 . 2 . 3]" 1 1104 1 36 SER H 1 46 ILE MD . . 7.600 4.352 2.625 5.647 . 0 0 "[ . 1 . 2 . 3]" 1 1105 1 36 SER H 1 47 LYS H . . 6.100 4.937 4.389 5.342 . 0 0 "[ . 1 . 2 . 3]" 1 1106 1 36 SER HA 1 37 VAL H . . 3.300 2.298 2.214 2.708 . 0 0 "[ . 1 . 2 . 3]" 1 1107 1 36 SER HA 1 37 VAL MG1 . . 7.600 3.753 2.977 5.487 . 0 0 "[ . 1 . 2 . 3]" 1 1108 1 36 SER HA 1 37 VAL MG2 . . 7.600 4.730 3.386 5.668 . 0 0 "[ . 1 . 2 . 3]" 1 1109 1 36 SER HA 1 45 HIS H . . 6.600 4.843 4.515 5.252 . 0 0 "[ . 1 . 2 . 3]" 1 1110 1 36 SER QB 1 45 HIS H . . 7.300 3.956 2.484 4.739 . 0 0 "[ . 1 . 2 . 3]" 1 1111 1 36 SER QB 1 45 HIS HD2 . . 7.600 4.871 3.301 6.240 . 0 0 "[ . 1 . 2 . 3]" 1 1112 1 37 VAL H 1 37 VAL HB . . 3.900 3.159 2.218 3.900 . 0 0 "[ . 1 . 2 . 3]" 1 1113 1 37 VAL H 1 38 ALA H . . 5.200 4.493 3.983 4.629 . 0 0 "[ . 1 . 2 . 3]" 1 1114 1 37 VAL H 1 38 ALA MB . . 7.600 4.981 4.658 5.261 . 0 0 "[ . 1 . 2 . 3]" 1 1115 1 37 VAL H 1 44 ALA HA . . 6.600 4.445 4.114 4.613 . 0 0 "[ . 1 . 2 . 3]" 1 1116 1 37 VAL H 1 44 ALA MB . . 7.600 4.799 3.360 5.155 . 0 0 "[ . 1 . 2 . 3]" 1 1117 1 37 VAL H 1 45 HIS H . . 6.100 4.758 4.201 5.011 . 0 0 "[ . 1 . 2 . 3]" 1 1118 1 37 VAL HA 1 43 LYS H . . 4.800 4.768 4.611 4.867 0.067 28 0 "[ . 1 . 2 . 3]" 1 1119 1 37 VAL HA 1 44 ALA H . . 6.600 4.589 4.222 4.722 . 0 0 "[ . 1 . 2 . 3]" 1 1120 1 37 VAL HA 1 44 ALA HA . . 6.600 2.084 1.989 2.198 . 0 0 "[ . 1 . 2 . 3]" 1 1121 1 37 VAL HA 1 44 ALA MB . . 7.600 3.409 2.173 3.679 . 0 0 "[ . 1 . 2 . 3]" 1 1122 1 37 VAL HA 1 45 HIS H . . 3.500 3.218 2.925 3.587 0.087 13 0 "[ . 1 . 2 . 3]" 1 1123 1 37 VAL HB 1 38 ALA H . . 5.400 3.688 2.754 4.563 . 0 0 "[ . 1 . 2 . 3]" 1 1124 1 37 VAL HB 1 44 ALA HA . . 6.600 3.100 2.518 4.757 . 0 0 "[ . 1 . 2 . 3]" 1 1125 1 37 VAL HB 1 44 ALA MB . . 7.600 2.917 2.223 4.500 . 0 0 "[ . 1 . 2 . 3]" 1 1126 1 37 VAL QG 1 38 ALA H . . 6.640 2.898 2.143 3.575 . 0 0 "[ . 1 . 2 . 3]" 1 1127 1 37 VAL QG 1 42 ASN HA . . 9.160 4.794 3.583 5.604 . 0 0 "[ . 1 . 2 . 3]" 1 1128 1 37 VAL QG 1 43 LYS H . . 9.160 4.280 3.470 5.194 . 0 0 "[ . 1 . 2 . 3]" 1 1129 1 37 VAL QG 1 45 HIS H . . 7.140 3.755 2.894 4.800 . 0 0 "[ . 1 . 2 . 3]" 1 1130 1 37 VAL QG 1 67 PHE QD . . 11.160 5.310 4.907 5.589 . 0 0 "[ . 1 . 2 . 3]" 1 1131 1 37 VAL QG 1 67 PHE QE . . 11.160 5.198 4.802 5.492 . 0 0 "[ . 1 . 2 . 3]" 1 1132 1 37 VAL MG1 1 38 ALA H . . 7.300 3.881 2.693 4.300 . 0 0 "[ . 1 . 2 . 3]" 1 1133 1 37 VAL MG1 1 44 ALA H . . 7.600 5.359 3.757 6.400 . 0 0 "[ . 1 . 2 . 3]" 1 1134 1 37 VAL MG1 1 44 ALA HA . . 7.600 3.403 2.099 4.825 . 0 0 "[ . 1 . 2 . 3]" 1 1135 1 37 VAL MG1 1 44 ALA MB . . 8.600 3.051 1.940 4.310 . 0 0 "[ . 1 . 2 . 3]" 1 1136 1 37 VAL MG1 1 45 HIS H . . 7.600 4.435 2.909 5.658 . 0 0 "[ . 1 . 2 . 3]" 1 1137 1 37 VAL MG2 1 38 ALA H . . 7.300 3.092 2.176 4.103 . 0 0 "[ . 1 . 2 . 3]" 1 1138 1 37 VAL MG2 1 44 ALA H . . 7.600 4.726 3.340 6.344 . 0 0 "[ . 1 . 2 . 3]" 1 1139 1 37 VAL MG2 1 44 ALA HA . . 7.600 3.297 2.207 4.352 . 0 0 "[ . 1 . 2 . 3]" 1 1140 1 37 VAL MG2 1 44 ALA MB . . 8.600 2.848 1.976 4.043 . 0 0 "[ . 1 . 2 . 3]" 1 1141 1 37 VAL MG2 1 45 HIS H . . 7.600 4.822 3.965 5.638 . 0 0 "[ . 1 . 2 . 3]" 1 1142 1 38 ALA H 1 38 ALA MB . . 3.400 2.616 2.334 2.805 . 0 0 "[ . 1 . 2 . 3]" 1 1143 1 38 ALA H 1 39 LEU H . . 6.600 4.298 4.157 4.485 . 0 0 "[ . 1 . 2 . 3]" 1 1144 1 38 ALA H 1 39 LEU HA . . 6.600 4.851 4.386 5.390 . 0 0 "[ . 1 . 2 . 3]" 1 1145 1 38 ALA H 1 42 ASN H . . 6.600 5.476 4.158 6.468 . 0 0 "[ . 1 . 2 . 3]" 1 1146 1 38 ALA H 1 43 LYS H . . 4.300 3.078 2.875 4.183 . 0 0 "[ . 1 . 2 . 3]" 1 1147 1 38 ALA H 1 43 LYS HB2 . . 6.600 5.161 3.722 5.739 . 0 0 "[ . 1 . 2 . 3]" 1 1148 1 38 ALA H 1 43 LYS HB3 . . 6.600 4.765 3.728 5.785 . 0 0 "[ . 1 . 2 . 3]" 1 1149 1 38 ALA H 1 44 ALA H . . 6.600 4.939 4.540 5.590 . 0 0 "[ . 1 . 2 . 3]" 1 1150 1 38 ALA H 1 44 ALA HA . . 4.400 3.570 2.977 3.816 . 0 0 "[ . 1 . 2 . 3]" 1 1151 1 38 ALA H 1 44 ALA MB . . 7.600 4.538 3.582 4.820 . 0 0 "[ . 1 . 2 . 3]" 1 1152 1 38 ALA H 1 45 HIS H . . 4.900 4.862 4.520 4.959 0.059 18 0 "[ . 1 . 2 . 3]" 1 1153 1 38 ALA HA 1 39 LEU H . . 3.200 2.093 2.028 2.183 . 0 0 "[ . 1 . 2 . 3]" 1 1154 1 38 ALA HA 1 39 LEU HA . . 6.600 4.338 4.212 4.441 . 0 0 "[ . 1 . 2 . 3]" 1 1155 1 38 ALA HA 1 40 ALA H . . 4.400 3.938 3.676 4.271 . 0 0 "[ . 1 . 2 . 3]" 1 1156 1 38 ALA HA 1 41 THR H . . 5.500 5.206 4.929 5.583 0.083 10 0 "[ . 1 . 2 . 3]" 1 1157 1 38 ALA HA 1 42 ASN H . . 6.100 5.853 5.008 6.120 0.020 13 0 "[ . 1 . 2 . 3]" 1 1158 1 38 ALA MB 1 39 LEU H . . 3.400 2.883 2.851 2.932 . 0 0 "[ . 1 . 2 . 3]" 1 1159 1 38 ALA MB 1 41 THR H . . 7.400 3.303 3.037 3.764 . 0 0 "[ . 1 . 2 . 3]" 1 1160 1 38 ALA MB 1 42 ASN H . . 5.600 4.538 3.780 4.696 . 0 0 "[ . 1 . 2 . 3]" 1 1161 1 38 ALA MB 1 43 LYS H . . 5.700 3.613 3.370 3.866 . 0 0 "[ . 1 . 2 . 3]" 1 1162 1 38 ALA MB 1 45 HIS H . . 7.600 5.633 5.177 5.980 . 0 0 "[ . 1 . 2 . 3]" 1 1163 1 39 LEU H 1 39 LEU MD1 . . 4.900 3.554 1.887 3.884 . 0 0 "[ . 1 . 2 . 3]" 1 1164 1 39 LEU H 1 39 LEU QD . . 4.540 2.806 1.839 3.146 . 0 0 "[ . 1 . 2 . 3]" 1 1165 1 39 LEU H 1 39 LEU MD2 . . 4.900 3.111 1.862 3.934 . 0 0 "[ . 1 . 2 . 3]" 1 1166 1 39 LEU H 1 39 LEU HG . . 3.700 2.415 2.138 3.763 0.063 18 0 "[ . 1 . 2 . 3]" 1 1167 1 39 LEU H 1 40 ALA H . . 4.400 2.552 2.435 2.754 . 0 0 "[ . 1 . 2 . 3]" 1 1168 1 39 LEU H 1 40 ALA HA . . 5.300 5.113 4.953 5.309 0.009 18 0 "[ . 1 . 2 . 3]" 1 1169 1 39 LEU H 1 41 THR MG . . 7.600 6.016 4.355 7.239 . 0 0 "[ . 1 . 2 . 3]" 1 1170 1 39 LEU HA 1 42 ASN HA . . 6.600 2.472 2.192 2.894 . 0 0 "[ . 1 . 2 . 3]" 1 1171 1 39 LEU QB 1 40 ALA H . . 5.600 3.300 2.422 3.753 . 0 0 "[ . 1 . 2 . 3]" 1 1172 1 39 LEU QB 1 41 THR H . . 7.600 5.002 4.538 5.400 . 0 0 "[ . 1 . 2 . 3]" 1 1173 1 39 LEU QD 1 42 ASN QD . . 7.870 3.902 2.540 5.146 . 0 0 "[ . 1 . 2 . 3]" 1 1174 1 39 LEU QD 1 43 LYS H . . 9.170 5.671 4.838 6.429 . 0 0 "[ . 1 . 2 . 3]" 1 1175 1 39 LEU MD1 1 40 ALA H . . 7.600 3.486 2.079 4.631 . 0 0 "[ . 1 . 2 . 3]" 1 1176 1 39 LEU MD1 1 42 ASN H . . 7.600 5.160 4.374 6.330 . 0 0 "[ . 1 . 2 . 3]" 1 1177 1 39 LEU MD1 1 42 ASN HD21 . . 9.330 5.475 3.784 7.798 . 0 0 "[ . 1 . 2 . 3]" 1 1178 1 39 LEU MD1 1 42 ASN HD22 . . 9.330 5.029 3.961 7.112 . 0 0 "[ . 1 . 2 . 3]" 1 1179 1 39 LEU MD2 1 40 ALA H . . 7.600 4.163 2.129 4.957 . 0 0 "[ . 1 . 2 . 3]" 1 1180 1 39 LEU MD2 1 42 ASN H . . 7.600 5.596 4.440 6.196 . 0 0 "[ . 1 . 2 . 3]" 1 1181 1 39 LEU MD2 1 42 ASN HD21 . . 9.330 5.524 2.640 7.783 . 0 0 "[ . 1 . 2 . 3]" 1 1182 1 39 LEU MD2 1 42 ASN HD22 . . 9.330 5.329 2.937 7.125 . 0 0 "[ . 1 . 2 . 3]" 1 1183 1 39 LEU HG 1 40 ALA H . . 5.200 3.185 2.218 4.937 . 0 0 "[ . 1 . 2 . 3]" 1 1184 1 39 LEU HG 1 42 ASN H . . 6.600 5.654 5.089 6.603 0.003 18 0 "[ . 1 . 2 . 3]" 1 1185 1 40 ALA H 1 40 ALA MB . . 3.400 2.216 2.202 2.232 . 0 0 "[ . 1 . 2 . 3]" 1 1186 1 40 ALA H 1 41 THR H . . 4.600 2.984 2.738 3.185 . 0 0 "[ . 1 . 2 . 3]" 1 1187 1 40 ALA H 1 41 THR HB . . 6.600 6.021 5.322 6.638 0.038 17 0 "[ . 1 . 2 . 3]" 1 1188 1 40 ALA H 1 41 THR MG . . 7.600 4.743 3.817 6.123 . 0 0 "[ . 1 . 2 . 3]" 1 1189 1 40 ALA H 1 42 ASN H . . 6.600 3.922 3.704 4.154 . 0 0 "[ . 1 . 2 . 3]" 1 1190 1 40 ALA HA 1 41 THR HA . . 6.600 4.647 4.536 4.827 . 0 0 "[ . 1 . 2 . 3]" 1 1191 1 40 ALA HA 1 41 THR MG . . 7.600 4.875 4.422 6.076 . 0 0 "[ . 1 . 2 . 3]" 1 1192 1 40 ALA MB 1 41 THR H . . 3.400 2.607 2.409 2.808 . 0 0 "[ . 1 . 2 . 3]" 1 1193 1 40 ALA MB 1 41 THR HA . . 7.600 4.233 3.951 4.385 . 0 0 "[ . 1 . 2 . 3]" 1 1194 1 40 ALA MB 1 41 THR MG . . 8.600 3.134 2.801 4.622 . 0 0 "[ . 1 . 2 . 3]" 1 1195 1 40 ALA MB 1 42 ASN H . . 5.600 4.250 4.017 4.385 . 0 0 "[ . 1 . 2 . 3]" 1 1196 1 41 THR H 1 42 ASN H . . 3.300 2.243 1.981 2.502 . 0 0 "[ . 1 . 2 . 3]" 1 1197 1 41 THR H 1 42 ASN QB . . 7.480 5.022 4.746 5.388 . 0 0 "[ . 1 . 2 . 3]" 1 1198 1 41 THR H 1 43 LYS H . . 5.100 3.536 3.149 3.959 . 0 0 "[ . 1 . 2 . 3]" 1 1199 1 41 THR H 1 43 LYS HA . . 6.400 6.141 5.556 6.486 0.086 8 0 "[ . 1 . 2 . 3]" 1 1200 1 41 THR H 1 43 LYS QD . . 7.600 5.577 3.842 6.781 . 0 0 "[ . 1 . 2 . 3]" 1 1201 1 41 THR HA 1 42 ASN QD . . 7.470 5.188 3.228 6.292 . 0 0 "[ . 1 . 2 . 3]" 1 1202 1 41 THR HA 1 43 LYS H . . 5.200 5.019 4.725 5.211 0.011 7 0 "[ . 1 . 2 . 3]" 1 1203 1 41 THR HA 1 43 LYS HE2 . . 6.600 6.494 5.446 6.683 0.083 28 0 "[ . 1 . 2 . 3]" 1 1204 1 41 THR HA 1 43 LYS HE3 . . 6.600 5.906 5.075 6.651 0.051 21 0 "[ . 1 . 2 . 3]" 1 1205 1 41 THR HB 1 42 ASN H . . 4.300 4.288 2.614 4.442 0.142 13 0 "[ . 1 . 2 . 3]" 1 1206 1 41 THR HB 1 43 LYS H . . 5.900 4.954 2.647 5.936 0.036 13 0 "[ . 1 . 2 . 3]" 1 1207 1 41 THR HB 1 43 LYS HB2 . . 6.600 5.165 2.402 6.701 0.101 19 0 "[ . 1 . 2 . 3]" 1 1208 1 41 THR HB 1 43 LYS HB3 . . 6.600 4.213 2.107 6.411 . 0 0 "[ . 1 . 2 . 3]" 1 1209 1 41 THR HB 1 43 LYS QD . . 7.600 5.276 3.641 6.713 . 0 0 "[ . 1 . 2 . 3]" 1 1210 1 41 THR MG 1 42 ASN H . . 7.500 3.820 2.446 4.414 . 0 0 "[ . 1 . 2 . 3]" 1 1211 1 41 THR MG 1 43 LYS H . . 7.600 3.849 2.002 5.678 . 0 0 "[ . 1 . 2 . 3]" 1 1212 1 41 THR MG 1 43 LYS QB . . 8.480 2.968 1.977 5.054 . 0 0 "[ . 1 . 2 . 3]" 1 1213 1 41 THR MG 1 43 LYS HE2 . . 7.600 3.664 2.499 5.536 . 0 0 "[ . 1 . 2 . 3]" 1 1214 1 41 THR MG 1 43 LYS HE3 . . 7.600 2.898 1.993 4.214 . 0 0 "[ . 1 . 2 . 3]" 1 1215 1 42 ASN H 1 42 ASN HD21 . . 4.500 3.882 2.518 4.502 0.002 19 0 "[ . 1 . 2 . 3]" 1 1216 1 42 ASN H 1 42 ASN HD22 . . 4.500 4.226 3.661 4.573 0.073 25 0 "[ . 1 . 2 . 3]" 1 1217 1 42 ASN H 1 43 LYS H . . 3.500 3.105 2.279 3.446 . 0 0 "[ . 1 . 2 . 3]" 1 1218 1 42 ASN H 1 43 LYS HA . . 6.600 5.481 4.864 5.710 . 0 0 "[ . 1 . 2 . 3]" 1 1219 1 42 ASN H 1 43 LYS HB2 . . 6.600 5.695 4.271 6.651 0.051 26 0 "[ . 1 . 2 . 3]" 1 1220 1 42 ASN H 1 43 LYS HB3 . . 6.600 4.972 3.994 5.820 . 0 0 "[ . 1 . 2 . 3]" 1 1221 1 42 ASN H 1 43 LYS QD . . 7.600 6.412 4.923 6.806 . 0 0 "[ . 1 . 2 . 3]" 1 1222 1 42 ASN HA 1 42 ASN HD21 . . 4.600 3.108 2.253 4.358 . 0 0 "[ . 1 . 2 . 3]" 1 1223 1 42 ASN HA 1 42 ASN QD . . 4.420 2.978 2.232 3.938 . 0 0 "[ . 1 . 2 . 3]" 1 1224 1 42 ASN HA 1 42 ASN HD22 . . 4.600 3.954 3.316 4.489 . 0 0 "[ . 1 . 2 . 3]" 1 1225 1 42 ASN HA 1 43 LYS H . . 3.600 2.615 2.304 2.850 . 0 0 "[ . 1 . 2 . 3]" 1 1226 1 42 ASN HA 1 43 LYS HA . . 6.600 4.516 4.326 4.672 . 0 0 "[ . 1 . 2 . 3]" 1 1227 1 42 ASN HB2 1 43 LYS H . . 4.900 4.498 4.314 4.710 . 0 0 "[ . 1 . 2 . 3]" 1 1228 1 42 ASN HB3 1 43 LYS H . . 4.900 4.457 4.289 4.541 . 0 0 "[ . 1 . 2 . 3]" 1 1229 1 42 ASN QD 1 43 LYS H . . 6.670 5.157 4.646 5.877 . 0 0 "[ . 1 . 2 . 3]" 1 1230 1 43 LYS H 1 43 LYS QD . . 5.000 4.279 2.596 4.538 . 0 0 "[ . 1 . 2 . 3]" 1 1231 1 43 LYS H 1 43 LYS HE2 . . 6.600 5.383 4.922 6.113 . 0 0 "[ . 1 . 2 . 3]" 1 1232 1 43 LYS H 1 43 LYS QE . . 6.900 4.594 4.350 5.088 . 0 0 "[ . 1 . 2 . 3]" 1 1233 1 43 LYS H 1 43 LYS HE3 . . 6.600 5.037 4.596 5.622 . 0 0 "[ . 1 . 2 . 3]" 1 1234 1 43 LYS H 1 44 ALA H . . 4.900 4.436 4.289 4.550 . 0 0 "[ . 1 . 2 . 3]" 1 1235 1 43 LYS H 1 44 ALA MB . . 7.600 5.191 4.865 5.550 . 0 0 "[ . 1 . 2 . 3]" 1 1236 1 43 LYS HA 1 43 LYS HE2 . . 6.600 4.774 4.332 5.681 . 0 0 "[ . 1 . 2 . 3]" 1 1237 1 43 LYS HA 1 43 LYS HE3 . . 6.600 5.283 4.686 6.092 . 0 0 "[ . 1 . 2 . 3]" 1 1238 1 43 LYS HA 1 44 ALA H . . 3.000 2.165 2.078 2.253 . 0 0 "[ . 1 . 2 . 3]" 1 1239 1 43 LYS HA 1 44 ALA HA . . 6.600 4.454 4.373 4.505 . 0 0 "[ . 1 . 2 . 3]" 1 1240 1 43 LYS HA 1 44 ALA MB . . 7.600 3.983 3.789 4.271 . 0 0 "[ . 1 . 2 . 3]" 1 1241 1 43 LYS HA 1 45 HIS H . . 6.600 5.935 5.390 6.287 . 0 0 "[ . 1 . 2 . 3]" 1 1242 1 43 LYS QB 1 44 ALA HA . . 7.480 4.497 3.797 4.929 . 0 0 "[ . 1 . 2 . 3]" 1 1243 1 43 LYS HB2 1 44 ALA H . . 4.100 3.382 2.503 4.129 0.029 6 0 "[ . 1 . 2 . 3]" 1 1244 1 43 LYS HB3 1 44 ALA H . . 4.100 3.983 3.000 4.139 0.039 4 0 "[ . 1 . 2 . 3]" 1 1245 1 43 LYS QD 1 44 ALA H . . 7.400 3.970 3.127 4.859 . 0 0 "[ . 1 . 2 . 3]" 1 1246 1 43 LYS QD 1 45 HIS QB . . 8.480 3.202 2.587 4.175 . 0 0 "[ . 1 . 2 . 3]" 1 1247 1 43 LYS QD 1 45 HIS HD2 . . 7.600 6.560 5.472 6.851 . 0 0 "[ . 1 . 2 . 3]" 1 1248 1 43 LYS QE 1 44 ALA H . . 7.600 5.015 4.723 5.618 . 0 0 "[ . 1 . 2 . 3]" 1 1249 1 43 LYS HE2 1 44 ALA H . . 6.600 5.426 4.912 6.071 . 0 0 "[ . 1 . 2 . 3]" 1 1250 1 43 LYS HE3 1 44 ALA H . . 6.600 6.060 5.260 6.625 0.025 24 0 "[ . 1 . 2 . 3]" 1 1251 1 43 LYS QG 1 44 ALA H . . 7.200 3.244 2.180 4.214 . 0 0 "[ . 1 . 2 . 3]" 1 1252 1 44 ALA H 1 44 ALA MB . . 3.400 2.449 2.275 2.601 . 0 0 "[ . 1 . 2 . 3]" 1 1253 1 44 ALA H 1 45 HIS H . . 6.600 4.330 4.110 4.529 . 0 0 "[ . 1 . 2 . 3]" 1 1254 1 44 ALA HA 1 45 HIS H . . 2.900 2.219 2.124 2.303 . 0 0 "[ . 1 . 2 . 3]" 1 1255 1 44 ALA HA 1 45 HIS HB2 . . 6.600 5.029 4.210 5.856 . 0 0 "[ . 1 . 2 . 3]" 1 1256 1 44 ALA HA 1 45 HIS HB3 . . 6.600 4.481 3.987 4.859 . 0 0 "[ . 1 . 2 . 3]" 1 1257 1 44 ALA HA 1 45 HIS HD2 . . 6.600 6.575 6.220 6.673 0.073 26 0 "[ . 1 . 2 . 3]" 1 1258 1 44 ALA MB 1 45 HIS H . . 4.000 3.217 2.603 3.415 . 0 0 "[ . 1 . 2 . 3]" 1 1259 1 44 ALA MB 1 45 HIS HA . . 7.600 4.211 3.697 4.500 . 0 0 "[ . 1 . 2 . 3]" 1 1260 1 45 HIS H 1 45 HIS HB2 . . 3.800 3.109 2.242 3.866 0.066 13 0 "[ . 1 . 2 . 3]" 1 1261 1 45 HIS H 1 45 HIS HB3 . . 3.800 2.501 2.102 3.058 . 0 0 "[ . 1 . 2 . 3]" 1 1262 1 45 HIS H 1 45 HIS HD2 . . 4.900 4.485 4.123 4.705 . 0 0 "[ . 1 . 2 . 3]" 1 1263 1 45 HIS H 1 45 HIS HE1 . . 6.600 6.272 5.113 6.808 0.208 23 0 "[ . 1 . 2 . 3]" 1 1264 1 45 HIS H 1 46 ILE H . . 4.800 4.199 3.970 4.397 . 0 0 "[ . 1 . 2 . 3]" 1 1265 1 45 HIS H 1 46 ILE MD . . 7.600 4.001 3.116 5.575 . 0 0 "[ . 1 . 2 . 3]" 1 1266 1 45 HIS H 1 47 LYS QG . . 6.480 5.894 5.820 5.963 . 0 0 "[ . 1 . 2 . 3]" 1 1267 1 45 HIS HA 1 46 ILE H . . 3.300 2.212 2.085 2.313 . 0 0 "[ . 1 . 2 . 3]" 1 1268 1 45 HIS HA 1 46 ILE HB . . 6.600 4.511 4.014 4.867 . 0 0 "[ . 1 . 2 . 3]" 1 1269 1 45 HIS HA 1 46 ILE MD . . 7.600 4.003 2.848 5.490 . 0 0 "[ . 1 . 2 . 3]" 1 1270 1 45 HIS HB2 1 46 ILE H . . 5.300 4.013 2.866 4.651 . 0 0 "[ . 1 . 2 . 3]" 1 1271 1 45 HIS HB3 1 46 ILE H . . 5.300 4.401 4.116 4.599 . 0 0 "[ . 1 . 2 . 3]" 1 1272 1 45 HIS HD2 1 46 ILE H . . 6.600 3.321 2.780 4.183 . 0 0 "[ . 1 . 2 . 3]" 1 1273 1 45 HIS HD2 1 47 LYS QE . . 7.600 3.880 2.828 5.308 . 0 0 "[ . 1 . 2 . 3]" 1 1274 1 45 HIS HD2 1 47 LYS QG . . 7.480 2.260 2.019 2.655 . 0 0 "[ . 1 . 2 . 3]" 1 1275 1 46 ILE H 1 46 ILE HB . . 3.700 2.500 2.207 2.716 . 0 0 "[ . 1 . 2 . 3]" 1 1276 1 46 ILE H 1 46 ILE MD . . 5.100 3.164 2.275 4.254 . 0 0 "[ . 1 . 2 . 3]" 1 1277 1 46 ILE H 1 47 LYS H . . 5.100 4.314 3.916 4.581 . 0 0 "[ . 1 . 2 . 3]" 1 1278 1 46 ILE HA 1 47 LYS H . . 3.600 2.179 2.085 2.298 . 0 0 "[ . 1 . 2 . 3]" 1 1279 1 46 ILE HA 1 47 LYS HA . . 6.600 4.467 4.410 4.526 . 0 0 "[ . 1 . 2 . 3]" 1 1280 1 46 ILE HA 1 47 LYS QG . . 7.480 3.775 3.226 4.141 . 0 0 "[ . 1 . 2 . 3]" 1 1281 1 46 ILE HA 1 48 TYR QD . . 8.600 4.925 4.343 5.671 . 0 0 "[ . 1 . 2 . 3]" 1 1282 1 46 ILE HA 1 48 TYR QE . . 8.600 6.568 5.613 7.545 . 0 0 "[ . 1 . 2 . 3]" 1 1283 1 46 ILE HB 1 47 LYS H . . 4.500 4.375 4.055 4.546 0.046 19 0 "[ . 1 . 2 . 3]" 1 1284 1 46 ILE HB 1 48 TYR QD . . 8.600 3.488 2.217 4.659 . 0 0 "[ . 1 . 2 . 3]" 1 1285 1 46 ILE HB 1 48 TYR QE . . 8.600 4.354 3.253 5.894 . 0 0 "[ . 1 . 2 . 3]" 1 1286 1 46 ILE MD 1 47 LYS H . . 7.600 4.790 3.693 5.461 . 0 0 "[ . 1 . 2 . 3]" 1 1287 1 46 ILE QG 1 47 LYS H . . 6.700 4.105 3.463 4.671 . 0 0 "[ . 1 . 2 . 3]" 1 1288 1 46 ILE QG 1 47 LYS HA . . 7.600 5.940 5.599 6.214 . 0 0 "[ . 1 . 2 . 3]" 1 1289 1 46 ILE QG 1 48 TYR HB2 . . 7.600 6.413 5.196 6.827 . 0 0 "[ . 1 . 2 . 3]" 1 1290 1 46 ILE QG 1 48 TYR HB3 . . 7.600 5.006 4.526 5.356 . 0 0 "[ . 1 . 2 . 3]" 1 1291 1 46 ILE QG 1 48 TYR QD . . 9.600 4.749 3.587 5.588 . 0 0 "[ . 1 . 2 . 3]" 1 1292 1 46 ILE QG 1 48 TYR QE . . 9.600 5.735 4.278 6.959 . 0 0 "[ . 1 . 2 . 3]" 1 1293 1 46 ILE QG 1 58 ILE MD . . 8.600 3.158 2.125 4.360 . 0 0 "[ . 1 . 2 . 3]" 1 1294 1 46 ILE MG 1 47 LYS H . . 7.200 2.824 2.244 3.387 . 0 0 "[ . 1 . 2 . 3]" 1 1295 1 46 ILE MG 1 48 TYR HA . . 7.600 3.877 3.436 4.597 . 0 0 "[ . 1 . 2 . 3]" 1 1296 1 46 ILE MG 1 48 TYR HB2 . . 7.600 3.724 2.624 4.132 . 0 0 "[ . 1 . 2 . 3]" 1 1297 1 46 ILE MG 1 48 TYR HB3 . . 7.600 2.328 1.952 2.684 . 0 0 "[ . 1 . 2 . 3]" 1 1298 1 46 ILE MG 1 48 TYR QD . . 9.600 2.222 1.934 3.027 . 0 0 "[ . 1 . 2 . 3]" 1 1299 1 46 ILE MG 1 48 TYR QE . . 9.600 3.805 2.926 4.405 . 0 0 "[ . 1 . 2 . 3]" 1 1300 1 46 ILE MG 1 55 PRO HA . . 7.600 5.463 4.692 6.348 . 0 0 "[ . 1 . 2 . 3]" 1 1301 1 46 ILE MG 1 58 ILE MD . . 8.600 2.118 1.989 2.353 . 0 0 "[ . 1 . 2 . 3]" 1 1302 1 46 ILE MG 1 58 ILE MG . . 8.600 2.994 2.376 3.571 . 0 0 "[ . 1 . 2 . 3]" 1 1303 1 47 LYS H 1 47 LYS HG2 . . 4.800 3.406 3.009 3.796 . 0 0 "[ . 1 . 2 . 3]" 1 1304 1 47 LYS H 1 47 LYS HG3 . . 4.800 2.752 2.406 3.433 . 0 0 "[ . 1 . 2 . 3]" 1 1305 1 47 LYS H 1 48 TYR H . . 5.200 4.055 3.514 4.474 . 0 0 "[ . 1 . 2 . 3]" 1 1306 1 47 LYS H 1 58 ILE MD . . 7.600 5.688 5.202 6.226 . 0 0 "[ . 1 . 2 . 3]" 1 1307 1 47 LYS HA 1 48 TYR HA . . 6.600 4.475 4.400 4.543 . 0 0 "[ . 1 . 2 . 3]" 1 1308 1 47 LYS HA 1 48 TYR QD . . 8.600 3.819 2.558 4.854 . 0 0 "[ . 1 . 2 . 3]" 1 1309 1 47 LYS HA 1 48 TYR QE . . 8.600 5.431 4.197 6.249 . 0 0 "[ . 1 . 2 . 3]" 1 1310 1 47 LYS QB 1 48 TYR H . . 5.830 3.558 2.889 3.975 . 0 0 "[ . 1 . 2 . 3]" 1 1311 1 47 LYS HB2 1 48 TYR H . . 6.600 4.359 3.898 4.520 . 0 0 "[ . 1 . 2 . 3]" 1 1312 1 47 LYS HB3 1 48 TYR H . . 6.600 3.793 2.978 4.431 . 0 0 "[ . 1 . 2 . 3]" 1 1313 1 47 LYS QD 1 48 TYR HA . . 7.600 6.630 6.180 6.841 . 0 0 "[ . 1 . 2 . 3]" 1 1314 1 47 LYS QG 1 48 TYR H . . 6.780 4.430 4.143 4.602 . 0 0 "[ . 1 . 2 . 3]" 1 1315 1 48 TYR H 1 48 TYR QE . . 5.900 4.387 3.865 5.197 . 0 0 "[ . 1 . 2 . 3]" 1 1316 1 48 TYR H 1 49 ASP H . . 5.200 4.468 4.321 4.624 . 0 0 "[ . 1 . 2 . 3]" 1 1317 1 48 TYR HA 1 49 ASP H . . 3.600 2.285 2.105 2.468 . 0 0 "[ . 1 . 2 . 3]" 1 1318 1 48 TYR HA 1 49 ASP QB . . 7.480 4.380 3.986 4.636 . 0 0 "[ . 1 . 2 . 3]" 1 1319 1 48 TYR HA 1 53 ILE MD . . 7.600 6.026 4.098 6.369 . 0 0 "[ . 1 . 2 . 3]" 1 1320 1 48 TYR HA 1 58 ILE MD . . 7.600 5.169 4.307 6.063 . 0 0 "[ . 1 . 2 . 3]" 1 1321 1 48 TYR QB 1 50 PRO HA . . 7.480 4.946 4.620 5.607 . 0 0 "[ . 1 . 2 . 3]" 1 1322 1 48 TYR QB 1 53 ILE H . . 7.480 5.035 4.509 6.104 . 0 0 "[ . 1 . 2 . 3]" 1 1323 1 48 TYR QB 1 53 ILE MD . . 8.480 4.156 2.907 4.791 . 0 0 "[ . 1 . 2 . 3]" 1 1324 1 48 TYR QB 1 53 ILE QG . . 8.350 3.815 2.583 5.634 . 0 0 "[ . 1 . 2 . 3]" 1 1325 1 48 TYR QB 1 53 ILE MG . . 8.480 2.195 1.916 3.301 . 0 0 "[ . 1 . 2 . 3]" 1 1326 1 48 TYR HB2 1 49 ASP H . . 4.000 2.695 2.297 3.116 . 0 0 "[ . 1 . 2 . 3]" 1 1327 1 48 TYR HB2 1 58 ILE MD . . 7.600 3.771 2.931 4.407 . 0 0 "[ . 1 . 2 . 3]" 1 1328 1 48 TYR HB3 1 49 ASP H . . 4.000 3.937 3.676 4.095 0.095 16 0 "[ . 1 . 2 . 3]" 1 1329 1 48 TYR HB3 1 58 ILE MD . . 7.600 3.128 2.378 4.043 . 0 0 "[ . 1 . 2 . 3]" 1 1330 1 48 TYR QD 1 49 ASP H . . 8.100 3.496 2.738 3.990 . 0 0 "[ . 1 . 2 . 3]" 1 1331 1 48 TYR QD 1 49 ASP HA . . 8.600 4.391 3.827 4.907 . 0 0 "[ . 1 . 2 . 3]" 1 1332 1 48 TYR QD 1 50 PRO HA . . 8.600 2.883 2.436 3.889 . 0 0 "[ . 1 . 2 . 3]" 1 1333 1 48 TYR QD 1 50 PRO HB2 . . 8.600 5.216 4.688 5.864 . 0 0 "[ . 1 . 2 . 3]" 1 1334 1 48 TYR QD 1 50 PRO HB3 . . 8.600 4.058 3.381 4.913 . 0 0 "[ . 1 . 2 . 3]" 1 1335 1 48 TYR QD 1 50 PRO HD2 . . 8.600 5.208 4.633 5.927 . 0 0 "[ . 1 . 2 . 3]" 1 1336 1 48 TYR QD 1 50 PRO HD3 . . 8.600 4.217 3.445 5.106 . 0 0 "[ . 1 . 2 . 3]" 1 1337 1 48 TYR QD 1 50 PRO QG . . 9.480 5.147 4.626 5.862 . 0 0 "[ . 1 . 2 . 3]" 1 1338 1 48 TYR QD 1 52 ILE QG . . 9.600 5.589 4.542 7.277 . 0 0 "[ . 1 . 2 . 3]" 1 1339 1 48 TYR QD 1 53 ILE H . . 8.600 4.144 3.042 5.003 . 0 0 "[ . 1 . 2 . 3]" 1 1340 1 48 TYR QD 1 53 ILE HB . . 8.600 4.957 4.622 5.302 . 0 0 "[ . 1 . 2 . 3]" 1 1341 1 48 TYR QD 1 53 ILE MD . . 9.600 4.859 3.594 5.557 . 0 0 "[ . 1 . 2 . 3]" 1 1342 1 48 TYR QD 1 53 ILE HG12 . . 8.600 4.623 3.713 5.945 . 0 0 "[ . 1 . 2 . 3]" 1 1343 1 48 TYR QD 1 53 ILE HG13 . . 8.600 5.126 3.847 6.105 . 0 0 "[ . 1 . 2 . 3]" 1 1344 1 48 TYR QD 1 53 ILE MG . . 9.600 2.186 2.036 2.437 . 0 0 "[ . 1 . 2 . 3]" 1 1345 1 48 TYR QD 1 54 GLY QA . . 9.480 4.244 3.425 5.165 . 0 0 "[ . 1 . 2 . 3]" 1 1346 1 48 TYR QD 1 55 PRO HA . . 8.600 5.371 4.586 6.440 . 0 0 "[ . 1 . 2 . 3]" 1 1347 1 48 TYR QD 1 55 PRO QB . . 9.480 5.906 5.169 6.843 . 0 0 "[ . 1 . 2 . 3]" 1 1348 1 48 TYR QD 1 55 PRO HD2 . . 8.600 6.460 5.667 7.500 . 0 0 "[ . 1 . 2 . 3]" 1 1349 1 48 TYR QD 1 55 PRO HD3 . . 8.600 5.475 4.706 6.553 . 0 0 "[ . 1 . 2 . 3]" 1 1350 1 48 TYR QD 1 58 ILE MD . . 9.600 3.157 2.275 4.750 . 0 0 "[ . 1 . 2 . 3]" 1 1351 1 48 TYR QE 1 49 ASP H . . 8.400 5.663 4.714 6.122 . 0 0 "[ . 1 . 2 . 3]" 1 1352 1 48 TYR QE 1 49 ASP HA . . 8.600 5.902 5.293 6.583 . 0 0 "[ . 1 . 2 . 3]" 1 1353 1 48 TYR QE 1 50 PRO HA . . 8.600 2.607 2.221 3.942 . 0 0 "[ . 1 . 2 . 3]" 1 1354 1 48 TYR QE 1 50 PRO HB2 . . 8.600 4.243 3.527 5.874 . 0 0 "[ . 1 . 2 . 3]" 1 1355 1 48 TYR QE 1 50 PRO HB3 . . 8.600 3.298 2.356 4.942 . 0 0 "[ . 1 . 2 . 3]" 1 1356 1 48 TYR QE 1 50 PRO HD2 . . 8.600 5.943 4.975 7.254 . 0 0 "[ . 1 . 2 . 3]" 1 1357 1 48 TYR QE 1 50 PRO HD3 . . 8.600 4.865 3.558 6.242 . 0 0 "[ . 1 . 2 . 3]" 1 1358 1 48 TYR QE 1 50 PRO QG . . 9.480 4.967 3.940 6.426 . 0 0 "[ . 1 . 2 . 3]" 1 1359 1 48 TYR QE 1 52 ILE QG . . 9.600 6.857 5.665 7.673 . 0 0 "[ . 1 . 2 . 3]" 1 1360 1 48 TYR QE 1 53 ILE H . . 8.600 5.060 3.839 6.271 . 0 0 "[ . 1 . 2 . 3]" 1 1361 1 48 TYR QE 1 53 ILE HB . . 8.600 6.231 5.217 6.893 . 0 0 "[ . 1 . 2 . 3]" 1 1362 1 48 TYR QE 1 53 ILE MD . . 9.600 5.704 3.885 6.767 . 0 0 "[ . 1 . 2 . 3]" 1 1363 1 48 TYR QE 1 53 ILE QG . . 9.480 4.912 4.221 6.144 . 0 0 "[ . 1 . 2 . 3]" 1 1364 1 48 TYR QE 1 53 ILE MG . . 9.600 3.563 2.478 4.085 . 0 0 "[ . 1 . 2 . 3]" 1 1365 1 48 TYR QE 1 54 GLY H . . 8.600 5.063 4.326 5.814 . 0 0 "[ . 1 . 2 . 3]" 1 1366 1 48 TYR QE 1 54 GLY QA . . 9.480 2.887 2.317 3.521 . 0 0 "[ . 1 . 2 . 3]" 1 1367 1 48 TYR QE 1 55 PRO HA . . 8.600 4.137 2.852 5.604 . 0 0 "[ . 1 . 2 . 3]" 1 1368 1 48 TYR QE 1 55 PRO QB . . 9.480 4.268 3.334 5.501 . 0 0 "[ . 1 . 2 . 3]" 1 1369 1 48 TYR QE 1 55 PRO HD2 . . 8.600 4.661 3.746 5.493 . 0 0 "[ . 1 . 2 . 3]" 1 1370 1 48 TYR QE 1 55 PRO HD3 . . 8.600 3.522 2.428 4.522 . 0 0 "[ . 1 . 2 . 3]" 1 1371 1 48 TYR QE 1 55 PRO QG . . 9.480 5.013 4.325 5.970 . 0 0 "[ . 1 . 2 . 3]" 1 1372 1 48 TYR QE 1 58 ILE MD . . 9.600 3.634 2.455 6.096 . 0 0 "[ . 1 . 2 . 3]" 1 1373 1 49 ASP H 1 49 ASP HB2 . . 4.100 2.560 2.342 3.658 . 0 0 "[ . 1 . 2 . 3]" 1 1374 1 49 ASP H 1 49 ASP QB . . 3.850 2.398 2.161 2.572 . 0 0 "[ . 1 . 2 . 3]" 1 1375 1 49 ASP H 1 49 ASP HB3 . . 4.100 3.356 2.312 3.653 . 0 0 "[ . 1 . 2 . 3]" 1 1376 1 49 ASP H 1 50 PRO HD2 . . 6.600 5.005 4.549 5.201 . 0 0 "[ . 1 . 2 . 3]" 1 1377 1 49 ASP H 1 50 PRO HD3 . . 6.600 4.570 4.166 4.903 . 0 0 "[ . 1 . 2 . 3]" 1 1378 1 49 ASP H 1 50 PRO QG . . 6.980 6.100 5.779 6.254 . 0 0 "[ . 1 . 2 . 3]" 1 1379 1 49 ASP H 1 51 GLU H . . 6.600 5.091 4.609 6.420 . 0 0 "[ . 1 . 2 . 3]" 1 1380 1 49 ASP H 1 52 ILE H . . 6.600 5.751 5.023 6.518 . 0 0 "[ . 1 . 2 . 3]" 1 1381 1 49 ASP H 1 53 ILE H . . 5.700 5.162 4.463 5.717 0.017 13 0 "[ . 1 . 2 . 3]" 1 1382 1 49 ASP H 1 53 ILE HB . . 6.600 5.509 4.743 6.426 . 0 0 "[ . 1 . 2 . 3]" 1 1383 1 49 ASP H 1 53 ILE MD . . 7.600 5.774 4.400 6.361 . 0 0 "[ . 1 . 2 . 3]" 1 1384 1 49 ASP H 1 53 ILE MG . . 7.600 3.056 2.458 3.797 . 0 0 "[ . 1 . 2 . 3]" 1 1385 1 49 ASP H 1 58 ILE MD . . 7.600 6.016 5.354 6.389 . 0 0 "[ . 1 . 2 . 3]" 1 1386 1 49 ASP HA 1 51 GLU H . . 5.700 4.311 3.758 5.002 . 0 0 "[ . 1 . 2 . 3]" 1 1387 1 49 ASP HA 1 53 ILE H . . 6.600 6.088 5.153 6.587 . 0 0 "[ . 1 . 2 . 3]" 1 1388 1 49 ASP HA 1 53 ILE MG . . 7.600 4.702 4.095 5.462 . 0 0 "[ . 1 . 2 . 3]" 1 1389 1 49 ASP QB 1 51 GLU H . . 6.250 3.404 2.860 4.705 . 0 0 "[ . 1 . 2 . 3]" 1 1390 1 49 ASP QB 1 52 ILE H . . 6.480 3.762 3.053 4.763 . 0 0 "[ . 1 . 2 . 3]" 1 1391 1 49 ASP QB 1 52 ILE HA . . 7.480 6.032 5.256 6.706 . 0 0 "[ . 1 . 2 . 3]" 1 1392 1 49 ASP QB 1 52 ILE HB . . 7.480 5.534 3.320 6.746 . 0 0 "[ . 1 . 2 . 3]" 1 1393 1 49 ASP QB 1 52 ILE MD . . 8.480 3.874 2.007 5.164 . 0 0 "[ . 1 . 2 . 3]" 1 1394 1 49 ASP QB 1 52 ILE QG . . 8.480 3.431 2.112 5.492 . 0 0 "[ . 1 . 2 . 3]" 1 1395 1 49 ASP QB 1 52 ILE MG . . 8.480 4.041 1.950 5.260 . 0 0 "[ . 1 . 2 . 3]" 1 1396 1 49 ASP QB 1 53 ILE H . . 6.190 4.228 3.488 5.039 . 0 0 "[ . 1 . 2 . 3]" 1 1397 1 49 ASP HB2 1 51 GLU H . . 6.600 4.024 2.961 5.956 . 0 0 "[ . 1 . 2 . 3]" 1 1398 1 49 ASP HB2 1 53 ILE H . . 6.500 4.714 3.774 6.562 0.062 21 0 "[ . 1 . 2 . 3]" 1 1399 1 49 ASP HB2 1 53 ILE MG . . 7.600 3.663 2.488 5.451 . 0 0 "[ . 1 . 2 . 3]" 1 1400 1 49 ASP HB3 1 51 GLU H . . 6.600 3.779 3.096 4.929 . 0 0 "[ . 1 . 2 . 3]" 1 1401 1 49 ASP HB3 1 53 ILE H . . 6.500 5.121 3.543 6.033 . 0 0 "[ . 1 . 2 . 3]" 1 1402 1 49 ASP HB3 1 53 ILE MG . . 7.600 4.376 2.353 5.413 . 0 0 "[ . 1 . 2 . 3]" 1 1403 1 50 PRO HA 1 51 GLU HA . . 6.600 4.530 4.304 4.897 . 0 0 "[ . 1 . 2 . 3]" 1 1404 1 50 PRO HA 1 52 ILE H . . 5.800 4.559 3.523 5.573 . 0 0 "[ . 1 . 2 . 3]" 1 1405 1 50 PRO HA 1 53 ILE H . . 4.800 4.222 3.503 4.816 0.016 26 0 "[ . 1 . 2 . 3]" 1 1406 1 50 PRO HA 1 53 ILE MG . . 7.600 3.802 3.176 4.871 . 0 0 "[ . 1 . 2 . 3]" 1 1407 1 50 PRO HA 1 55 PRO QD . . 7.480 5.374 4.281 6.655 . 0 0 "[ . 1 . 2 . 3]" 1 1408 1 50 PRO QB 1 53 ILE H . . 7.480 5.847 5.153 6.391 . 0 0 "[ . 1 . 2 . 3]" 1 1409 1 50 PRO QD 1 51 GLU H . . 5.450 3.750 2.779 4.200 . 0 0 "[ . 1 . 2 . 3]" 1 1410 1 50 PRO QG 1 51 GLU H . . 5.470 4.034 2.612 4.519 . 0 0 "[ . 1 . 2 . 3]" 1 1411 1 51 GLU H 1 51 GLU HG2 . . 3.800 2.984 2.008 3.836 0.036 23 0 "[ . 1 . 2 . 3]" 1 1412 1 51 GLU H 1 51 GLU HG3 . . 3.800 3.051 2.062 3.868 0.068 20 0 "[ . 1 . 2 . 3]" 1 1413 1 51 GLU H 1 52 ILE H . . 3.300 2.428 1.945 3.339 0.039 21 0 "[ . 1 . 2 . 3]" 1 1414 1 51 GLU H 1 52 ILE QG . . 7.600 4.143 3.183 6.577 . 0 0 "[ . 1 . 2 . 3]" 1 1415 1 51 GLU H 1 52 ILE MG . . 7.600 4.227 2.530 4.936 . 0 0 "[ . 1 . 2 . 3]" 1 1416 1 51 GLU H 1 53 ILE MG . . 7.600 3.878 3.051 5.843 . 0 0 "[ . 1 . 2 . 3]" 1 1417 1 51 GLU QB 1 52 ILE QG . . 8.600 4.285 3.181 6.225 . 0 0 "[ . 1 . 2 . 3]" 1 1418 1 51 GLU QB 1 52 ILE MG . . 8.600 3.167 2.475 4.936 . 0 0 "[ . 1 . 2 . 3]" 1 1419 1 51 GLU QB 1 53 ILE H . . 7.600 4.845 3.966 5.812 . 0 0 "[ . 1 . 2 . 3]" 1 1420 1 51 GLU QG 1 52 ILE H . . 6.440 2.940 1.898 4.381 . 0 0 "[ . 1 . 2 . 3]" 1 1421 1 51 GLU QG 1 53 ILE H . . 7.480 4.562 3.288 5.902 . 0 0 "[ . 1 . 2 . 3]" 1 1422 1 51 GLU HG2 1 52 ILE H . . 6.600 3.753 1.989 5.329 . 0 0 "[ . 1 . 2 . 3]" 1 1423 1 51 GLU HG3 1 52 ILE H . . 6.600 3.254 1.971 5.644 . 0 0 "[ . 1 . 2 . 3]" 1 1424 1 52 ILE H 1 52 ILE HB . . 3.800 3.588 2.242 3.835 0.035 22 0 "[ . 1 . 2 . 3]" 1 1425 1 52 ILE H 1 52 ILE MD . . 5.000 3.757 1.811 4.233 . 0 0 "[ . 1 . 2 . 3]" 1 1426 1 52 ILE H 1 53 ILE H . . 3.300 2.405 1.990 2.871 . 0 0 "[ . 1 . 2 . 3]" 1 1427 1 52 ILE H 1 53 ILE QG . . 7.480 6.128 5.604 6.588 . 0 0 "[ . 1 . 2 . 3]" 1 1428 1 52 ILE HA 1 53 ILE MD . . 7.600 6.233 5.885 6.420 . 0 0 "[ . 1 . 2 . 3]" 1 1429 1 52 ILE HA 1 53 ILE MG . . 7.600 5.096 4.793 5.459 . 0 0 "[ . 1 . 2 . 3]" 1 1430 1 52 ILE HB 1 53 ILE H . . 3.900 3.864 3.307 3.986 0.086 14 0 "[ . 1 . 2 . 3]" 1 1431 1 52 ILE HB 1 53 ILE QG . . 7.480 6.132 5.333 6.734 . 0 0 "[ . 1 . 2 . 3]" 1 1432 1 52 ILE HB 1 53 ILE MG . . 7.600 4.829 4.169 5.368 . 0 0 "[ . 1 . 2 . 3]" 1 1433 1 52 ILE MD 1 53 ILE H . . 6.100 3.396 2.048 4.313 . 0 0 "[ . 1 . 2 . 3]" 1 1434 1 52 ILE MD 1 53 ILE HB . . 7.600 2.913 1.986 4.121 . 0 0 "[ . 1 . 2 . 3]" 1 1435 1 52 ILE MD 1 53 ILE QG . . 8.480 4.386 2.968 5.561 . 0 0 "[ . 1 . 2 . 3]" 1 1436 1 52 ILE QG 1 53 ILE H . . 7.600 2.631 1.981 4.594 . 0 0 "[ . 1 . 2 . 3]" 1 1437 1 52 ILE QG 1 53 ILE MG . . 8.600 3.066 2.144 5.012 . 0 0 "[ . 1 . 2 . 3]" 1 1438 1 52 ILE MG 1 53 ILE H . . 7.600 3.736 2.027 4.372 . 0 0 "[ . 1 . 2 . 3]" 1 1439 1 52 ILE MG 1 53 ILE HB . . 7.600 4.836 2.202 5.567 . 0 0 "[ . 1 . 2 . 3]" 1 1440 1 53 ILE H 1 53 ILE HG12 . . 5.300 4.647 4.445 4.859 . 0 0 "[ . 1 . 2 . 3]" 1 1441 1 53 ILE H 1 53 ILE QG . . 4.930 4.086 3.989 4.204 . 0 0 "[ . 1 . 2 . 3]" 1 1442 1 53 ILE H 1 53 ILE HG13 . . 5.300 4.542 4.374 4.874 . 0 0 "[ . 1 . 2 . 3]" 1 1443 1 53 ILE H 1 53 ILE MG . . 4.400 2.143 1.936 2.393 . 0 0 "[ . 1 . 2 . 3]" 1 1444 1 53 ILE H 1 54 GLY H . . 6.600 4.511 4.331 4.696 . 0 0 "[ . 1 . 2 . 3]" 1 1445 1 53 ILE HA 1 54 GLY H . . 3.400 2.315 2.121 2.439 . 0 0 "[ . 1 . 2 . 3]" 1 1446 1 53 ILE HA 1 57 ASP H . . 5.300 5.209 4.578 5.368 0.068 13 0 "[ . 1 . 2 . 3]" 1 1447 1 53 ILE HA 1 57 ASP HB2 . . 6.600 4.101 3.346 5.263 . 0 0 "[ . 1 . 2 . 3]" 1 1448 1 53 ILE HA 1 57 ASP HB3 . . 6.600 4.576 3.481 5.277 . 0 0 "[ . 1 . 2 . 3]" 1 1449 1 53 ILE HA 1 58 ILE H . . 6.600 5.914 5.163 6.488 . 0 0 "[ . 1 . 2 . 3]" 1 1450 1 53 ILE HB 1 54 GLY H . . 4.400 4.214 3.826 4.447 0.047 19 0 "[ . 1 . 2 . 3]" 1 1451 1 53 ILE HB 1 57 ASP QB . . 7.480 4.519 3.977 5.403 . 0 0 "[ . 1 . 2 . 3]" 1 1452 1 53 ILE HB 1 58 ILE MD . . 7.600 5.594 4.938 6.337 . 0 0 "[ . 1 . 2 . 3]" 1 1453 1 53 ILE MD 1 54 GLY H . . 7.600 3.450 2.257 4.148 . 0 0 "[ . 1 . 2 . 3]" 1 1454 1 53 ILE MD 1 55 PRO HA . . 7.600 5.980 4.143 6.353 . 0 0 "[ . 1 . 2 . 3]" 1 1455 1 53 ILE MD 1 57 ASP H . . 7.500 4.487 3.005 5.120 . 0 0 "[ . 1 . 2 . 3]" 1 1456 1 53 ILE MD 1 57 ASP HB2 . . 7.600 2.559 2.024 4.364 . 0 0 "[ . 1 . 2 . 3]" 1 1457 1 53 ILE MD 1 57 ASP HB3 . . 7.600 2.561 2.027 3.440 . 0 0 "[ . 1 . 2 . 3]" 1 1458 1 53 ILE MD 1 58 ILE H . . 7.600 3.715 2.763 4.303 . 0 0 "[ . 1 . 2 . 3]" 1 1459 1 53 ILE MD 1 61 THR H . . 7.600 5.993 5.218 6.354 . 0 0 "[ . 1 . 2 . 3]" 1 1460 1 53 ILE QG 1 57 ASP H . . 6.380 4.117 3.630 5.157 . 0 0 "[ . 1 . 2 . 3]" 1 1461 1 53 ILE QG 1 57 ASP QB . . 8.350 2.292 1.956 3.239 . 0 0 "[ . 1 . 2 . 3]" 1 1462 1 53 ILE QG 1 58 ILE H . . 6.580 3.619 3.128 4.789 . 0 0 "[ . 1 . 2 . 3]" 1 1463 1 53 ILE QG 1 58 ILE MD . . 8.480 3.431 2.567 4.664 . 0 0 "[ . 1 . 2 . 3]" 1 1464 1 53 ILE QG 1 58 ILE MG . . 8.480 5.295 4.566 6.316 . 0 0 "[ . 1 . 2 . 3]" 1 1465 1 53 ILE HG12 1 54 GLY H . . 4.800 3.373 2.240 4.422 . 0 0 "[ . 1 . 2 . 3]" 1 1466 1 53 ILE HG13 1 54 GLY H . . 4.800 2.769 2.056 4.806 0.006 3 0 "[ . 1 . 2 . 3]" 1 1467 1 53 ILE MG 1 54 GLY H . . 7.500 3.745 3.235 4.253 . 0 0 "[ . 1 . 2 . 3]" 1 1468 1 53 ILE MG 1 57 ASP H . . 7.600 5.895 5.352 6.348 . 0 0 "[ . 1 . 2 . 3]" 1 1469 1 53 ILE MG 1 58 ILE H . . 7.600 5.258 4.784 5.682 . 0 0 "[ . 1 . 2 . 3]" 1 1470 1 53 ILE MG 1 58 ILE HB . . 7.600 5.975 5.488 6.358 . 0 0 "[ . 1 . 2 . 3]" 1 1471 1 53 ILE MG 1 58 ILE MD . . 8.600 3.584 2.936 4.251 . 0 0 "[ . 1 . 2 . 3]" 1 1472 1 53 ILE MG 1 58 ILE QG . . 8.480 3.804 3.299 4.108 . 0 0 "[ . 1 . 2 . 3]" 1 1473 1 53 ILE MG 1 58 ILE MG . . 8.600 5.775 5.355 5.983 . 0 0 "[ . 1 . 2 . 3]" 1 1474 1 54 GLY H 1 55 PRO QD . . 6.880 4.293 4.238 4.411 . 0 0 "[ . 1 . 2 . 3]" 1 1475 1 54 GLY H 1 57 ASP H . . 5.100 3.251 3.003 3.839 . 0 0 "[ . 1 . 2 . 3]" 1 1476 1 54 GLY H 1 57 ASP HB2 . . 5.200 3.120 2.546 4.686 . 0 0 "[ . 1 . 2 . 3]" 1 1477 1 54 GLY H 1 57 ASP QB . . 4.880 2.938 2.176 4.033 . 0 0 "[ . 1 . 2 . 3]" 1 1478 1 54 GLY H 1 57 ASP HB3 . . 5.200 3.982 2.227 4.630 . 0 0 "[ . 1 . 2 . 3]" 1 1479 1 54 GLY H 1 58 ILE H . . 6.600 4.285 3.607 5.414 . 0 0 "[ . 1 . 2 . 3]" 1 1480 1 54 GLY H 1 58 ILE MD . . 7.600 5.082 3.931 5.942 . 0 0 "[ . 1 . 2 . 3]" 1 1481 1 54 GLY QA 1 58 ILE MD . . 8.480 4.799 3.749 6.072 . 0 0 "[ . 1 . 2 . 3]" 1 1482 1 54 GLY HA2 1 57 ASP H . . 5.100 4.903 4.604 5.123 0.023 3 0 "[ . 1 . 2 . 3]" 1 1483 1 55 PRO HA 1 57 ASP H . . 5.200 4.515 4.044 4.755 . 0 0 "[ . 1 . 2 . 3]" 1 1484 1 55 PRO HA 1 58 ILE H . . 4.900 3.719 3.424 4.061 . 0 0 "[ . 1 . 2 . 3]" 1 1485 1 55 PRO HA 1 58 ILE HB . . 6.600 2.790 2.360 3.168 . 0 0 "[ . 1 . 2 . 3]" 1 1486 1 55 PRO HA 1 58 ILE MD . . 7.600 3.133 2.118 4.988 . 0 0 "[ . 1 . 2 . 3]" 1 1487 1 55 PRO HA 1 58 ILE QG . . 7.480 3.633 2.982 4.057 . 0 0 "[ . 1 . 2 . 3]" 1 1488 1 55 PRO HA 1 58 ILE MG . . 7.600 4.014 3.450 4.503 . 0 0 "[ . 1 . 2 . 3]" 1 1489 1 55 PRO HA 1 59 ILE MD . . 7.600 3.892 3.426 4.164 . 0 0 "[ . 1 . 2 . 3]" 1 1490 1 55 PRO HA 1 59 ILE QG . . 7.600 4.097 3.632 4.450 . 0 0 "[ . 1 . 2 . 3]" 1 1491 1 55 PRO HA 1 71 LEU MD1 . . 7.600 5.303 3.657 6.347 . 0 0 "[ . 1 . 2 . 3]" 1 1492 1 55 PRO HA 1 71 LEU MD2 . . 7.600 5.329 3.809 6.336 . 0 0 "[ . 1 . 2 . 3]" 1 1493 1 55 PRO QB 1 71 LEU QB . . 8.480 4.342 3.314 5.615 . 0 0 "[ . 1 . 2 . 3]" 1 1494 1 55 PRO QD 1 58 ILE HB . . 7.480 5.609 5.107 6.015 . 0 0 "[ . 1 . 2 . 3]" 1 1495 1 55 PRO QD 1 58 ILE MD . . 8.480 5.012 4.017 6.319 . 0 0 "[ . 1 . 2 . 3]" 1 1496 1 55 PRO QG 1 56 ARG HA . . 7.480 4.206 4.013 4.474 . 0 0 "[ . 1 . 2 . 3]" 1 1497 1 55 PRO QG 1 59 ILE MD . . 8.480 3.770 3.349 4.114 . 0 0 "[ . 1 . 2 . 3]" 1 1498 1 56 ARG H 1 56 ARG QG . . 5.100 2.874 1.940 4.031 . 0 0 "[ . 1 . 2 . 3]" 1 1499 1 56 ARG H 1 57 ASP H . . 3.900 2.968 2.804 3.224 . 0 0 "[ . 1 . 2 . 3]" 1 1500 1 56 ARG H 1 58 ILE QG . . 7.480 5.661 5.369 5.983 . 0 0 "[ . 1 . 2 . 3]" 1 1501 1 56 ARG H 1 59 ILE HB . . 6.600 4.719 4.527 4.975 . 0 0 "[ . 1 . 2 . 3]" 1 1502 1 56 ARG H 1 59 ILE MG . . 7.600 5.739 5.459 6.081 . 0 0 "[ . 1 . 2 . 3]" 1 1503 1 56 ARG HA 1 57 ASP HA . . 6.600 4.808 4.647 4.930 . 0 0 "[ . 1 . 2 . 3]" 1 1504 1 56 ARG HA 1 58 ILE H . . 5.600 4.767 4.543 4.948 . 0 0 "[ . 1 . 2 . 3]" 1 1505 1 56 ARG HA 1 59 ILE H . . 6.600 3.582 3.269 3.882 . 0 0 "[ . 1 . 2 . 3]" 1 1506 1 56 ARG HA 1 59 ILE HB . . 6.600 2.491 2.171 2.911 . 0 0 "[ . 1 . 2 . 3]" 1 1507 1 56 ARG HA 1 59 ILE MD . . 7.600 2.672 2.329 3.091 . 0 0 "[ . 1 . 2 . 3]" 1 1508 1 56 ARG HA 1 59 ILE QG . . 7.600 4.131 3.805 4.507 . 0 0 "[ . 1 . 2 . 3]" 1 1509 1 56 ARG HA 1 59 ILE MG . . 7.600 3.595 3.378 4.045 . 0 0 "[ . 1 . 2 . 3]" 1 1510 1 56 ARG HA 1 60 HIS H . . 4.800 3.924 3.563 4.364 . 0 0 "[ . 1 . 2 . 3]" 1 1511 1 56 ARG HA 1 60 HIS QB . . 7.600 5.200 4.690 5.630 . 0 0 "[ . 1 . 2 . 3]" 1 1512 1 56 ARG HA 1 60 HIS HD2 . . 6.600 4.500 3.397 5.949 . 0 0 "[ . 1 . 2 . 3]" 1 1513 1 56 ARG HA 1 71 LEU QD . . 9.170 5.289 4.678 5.930 . 0 0 "[ . 1 . 2 . 3]" 1 1514 1 56 ARG QB 1 57 ASP H . . 4.030 2.728 2.167 3.541 . 0 0 "[ . 1 . 2 . 3]" 1 1515 1 56 ARG HB2 1 57 ASP H . . 4.500 3.211 2.201 4.189 . 0 0 "[ . 1 . 2 . 3]" 1 1516 1 56 ARG HB2 1 60 HIS HD2 . . 6.600 4.976 2.871 6.611 0.011 4 0 "[ . 1 . 2 . 3]" 1 1517 1 56 ARG HB3 1 57 ASP H . . 4.500 3.323 2.307 4.325 . 0 0 "[ . 1 . 2 . 3]" 1 1518 1 56 ARG HB3 1 60 HIS HD2 . . 6.600 4.418 2.378 6.604 0.004 15 0 "[ . 1 . 2 . 3]" 1 1519 1 56 ARG QD 1 59 ILE HB . . 7.600 5.585 3.270 6.759 . 0 0 "[ . 1 . 2 . 3]" 1 1520 1 56 ARG QG 1 57 ASP H . . 6.100 3.627 1.918 4.554 . 0 0 "[ . 1 . 2 . 3]" 1 1521 1 56 ARG QG 1 58 ILE H . . 7.600 5.517 4.063 6.407 . 0 0 "[ . 1 . 2 . 3]" 1 1522 1 56 ARG QG 1 60 HIS HD2 . . 7.600 4.496 2.084 6.655 . 0 0 "[ . 1 . 2 . 3]" 1 1523 1 57 ASP H 1 57 ASP HB2 . . 3.600 2.663 2.489 2.842 . 0 0 "[ . 1 . 2 . 3]" 1 1524 1 57 ASP H 1 57 ASP QB . . 3.340 2.546 2.199 2.732 . 0 0 "[ . 1 . 2 . 3]" 1 1525 1 57 ASP H 1 57 ASP HB3 . . 3.600 3.367 2.404 3.622 0.022 22 0 "[ . 1 . 2 . 3]" 1 1526 1 57 ASP H 1 58 ILE H . . 3.700 2.724 2.433 2.896 . 0 0 "[ . 1 . 2 . 3]" 1 1527 1 57 ASP H 1 58 ILE HA . . 6.600 5.371 5.145 5.527 . 0 0 "[ . 1 . 2 . 3]" 1 1528 1 57 ASP H 1 58 ILE MD . . 7.600 5.145 4.438 5.998 . 0 0 "[ . 1 . 2 . 3]" 1 1529 1 57 ASP H 1 58 ILE QG . . 6.380 4.395 3.908 4.730 . 0 0 "[ . 1 . 2 . 3]" 1 1530 1 57 ASP H 1 58 ILE MG . . 7.600 5.838 5.458 6.035 . 0 0 "[ . 1 . 2 . 3]" 1 1531 1 57 ASP H 1 59 ILE H . . 5.200 4.150 3.788 4.322 . 0 0 "[ . 1 . 2 . 3]" 1 1532 1 57 ASP H 1 59 ILE HB . . 6.600 4.949 4.652 5.134 . 0 0 "[ . 1 . 2 . 3]" 1 1533 1 57 ASP H 1 59 ILE QG . . 6.900 5.866 5.406 6.175 . 0 0 "[ . 1 . 2 . 3]" 1 1534 1 57 ASP H 1 59 ILE MG . . 7.600 6.029 5.841 6.227 . 0 0 "[ . 1 . 2 . 3]" 1 1535 1 57 ASP H 1 60 HIS H . . 5.700 4.769 4.594 4.972 . 0 0 "[ . 1 . 2 . 3]" 1 1536 1 57 ASP HA 1 60 HIS H . . 4.700 3.626 3.309 4.116 . 0 0 "[ . 1 . 2 . 3]" 1 1537 1 57 ASP HA 1 60 HIS QB . . 7.600 3.168 2.637 4.758 . 0 0 "[ . 1 . 2 . 3]" 1 1538 1 57 ASP HA 1 60 HIS HD2 . . 6.600 4.142 3.011 5.853 . 0 0 "[ . 1 . 2 . 3]" 1 1539 1 57 ASP HA 1 61 THR H . . 5.400 4.053 3.692 4.550 . 0 0 "[ . 1 . 2 . 3]" 1 1540 1 57 ASP QB 1 58 ILE H . . 4.260 2.302 2.140 2.684 . 0 0 "[ . 1 . 2 . 3]" 1 1541 1 57 ASP QB 1 58 ILE HB . . 7.480 4.503 4.305 5.003 . 0 0 "[ . 1 . 2 . 3]" 1 1542 1 57 ASP QB 1 58 ILE MG . . 8.480 5.112 4.836 5.458 . 0 0 "[ . 1 . 2 . 3]" 1 1543 1 57 ASP HB2 1 58 ILE H . . 4.500 2.558 2.159 3.971 . 0 0 "[ . 1 . 2 . 3]" 1 1544 1 57 ASP HB3 1 58 ILE H . . 4.500 3.419 2.184 3.960 . 0 0 "[ . 1 . 2 . 3]" 1 1545 1 58 ILE H 1 58 ILE HB . . 3.400 2.430 2.247 2.619 . 0 0 "[ . 1 . 2 . 3]" 1 1546 1 58 ILE H 1 58 ILE HG12 . . 3.600 3.120 2.167 3.609 0.009 27 0 "[ . 1 . 2 . 3]" 1 1547 1 58 ILE H 1 58 ILE QG . . 3.100 2.164 2.029 2.401 . 0 0 "[ . 1 . 2 . 3]" 1 1548 1 58 ILE H 1 58 ILE HG13 . . 3.600 2.615 2.044 3.632 0.032 1 0 "[ . 1 . 2 . 3]" 1 1549 1 58 ILE H 1 58 ILE MG . . 4.600 3.761 3.699 3.814 . 0 0 "[ . 1 . 2 . 3]" 1 1550 1 58 ILE H 1 59 ILE H . . 4.500 2.816 2.686 2.986 . 0 0 "[ . 1 . 2 . 3]" 1 1551 1 58 ILE H 1 59 ILE HB . . 6.600 4.717 4.549 4.862 . 0 0 "[ . 1 . 2 . 3]" 1 1552 1 58 ILE H 1 59 ILE MD . . 7.500 5.159 4.947 5.344 . 0 0 "[ . 1 . 2 . 3]" 1 1553 1 58 ILE H 1 59 ILE MG . . 7.600 5.865 5.742 5.988 . 0 0 "[ . 1 . 2 . 3]" 1 1554 1 58 ILE H 1 60 HIS H . . 5.400 4.394 4.183 4.629 . 0 0 "[ . 1 . 2 . 3]" 1 1555 1 58 ILE H 1 60 HIS QB . . 7.500 5.470 5.070 6.483 . 0 0 "[ . 1 . 2 . 3]" 1 1556 1 58 ILE H 1 61 THR H . . 6.200 4.714 4.643 4.915 . 0 0 "[ . 1 . 2 . 3]" 1 1557 1 58 ILE HA 1 60 HIS H . . 6.600 4.711 4.543 4.965 . 0 0 "[ . 1 . 2 . 3]" 1 1558 1 58 ILE HA 1 61 THR H . . 4.800 3.629 3.400 3.887 . 0 0 "[ . 1 . 2 . 3]" 1 1559 1 58 ILE HA 1 61 THR HB . . 6.600 2.545 2.275 2.900 . 0 0 "[ . 1 . 2 . 3]" 1 1560 1 58 ILE HA 1 61 THR MG . . 7.600 3.772 3.589 4.153 . 0 0 "[ . 1 . 2 . 3]" 1 1561 1 58 ILE HA 1 62 ILE H . . 5.900 4.024 3.762 4.207 . 0 0 "[ . 1 . 2 . 3]" 1 1562 1 58 ILE HA 1 69 PRO QG . . 7.480 6.059 5.804 6.443 . 0 0 "[ . 1 . 2 . 3]" 1 1563 1 58 ILE HB 1 59 ILE H . . 6.600 2.421 2.202 2.713 . 0 0 "[ . 1 . 2 . 3]" 1 1564 1 58 ILE MD 1 59 ILE H . . 7.600 4.326 3.911 4.764 . 0 0 "[ . 1 . 2 . 3]" 1 1565 1 58 ILE MD 1 62 ILE QG . . 8.600 4.877 3.760 5.889 . 0 0 "[ . 1 . 2 . 3]" 1 1566 1 58 ILE MD 1 69 PRO QG . . 8.480 6.361 6.310 6.398 . 0 0 "[ . 1 . 2 . 3]" 1 1567 1 58 ILE QG 1 59 ILE H . . 6.010 4.063 3.827 4.229 . 0 0 "[ . 1 . 2 . 3]" 1 1568 1 58 ILE QG 1 59 ILE HA . . 7.480 5.748 5.622 5.933 . 0 0 "[ . 1 . 2 . 3]" 1 1569 1 58 ILE QG 1 61 THR H . . 6.880 5.598 5.256 5.959 . 0 0 "[ . 1 . 2 . 3]" 1 1570 1 58 ILE QG 1 61 THR MG . . 8.480 5.093 4.530 5.806 . 0 0 "[ . 1 . 2 . 3]" 1 1571 1 58 ILE QG 1 62 ILE QG . . 8.480 5.060 4.697 5.659 . 0 0 "[ . 1 . 2 . 3]" 1 1572 1 58 ILE HG12 1 59 ILE H . . 6.600 4.804 4.338 5.063 . 0 0 "[ . 1 . 2 . 3]" 1 1573 1 58 ILE HG13 1 59 ILE H . . 6.600 4.467 4.016 5.076 . 0 0 "[ . 1 . 2 . 3]" 1 1574 1 58 ILE MG 1 59 ILE H . . 7.600 3.132 2.812 3.391 . 0 0 "[ . 1 . 2 . 3]" 1 1575 1 59 ILE H 1 59 ILE HB . . 3.200 2.242 2.188 2.345 . 0 0 "[ . 1 . 2 . 3]" 1 1576 1 59 ILE H 1 59 ILE MD . . 4.000 3.308 3.233 3.353 . 0 0 "[ . 1 . 2 . 3]" 1 1577 1 59 ILE H 1 59 ILE QG . . 4.300 2.455 2.312 2.752 . 0 0 "[ . 1 . 2 . 3]" 1 1578 1 59 ILE H 1 59 ILE MG . . 4.600 3.704 3.675 3.743 . 0 0 "[ . 1 . 2 . 3]" 1 1579 1 59 ILE H 1 60 HIS H . . 6.600 2.899 2.813 3.045 . 0 0 "[ . 1 . 2 . 3]" 1 1580 1 59 ILE HA 1 61 THR H . . 6.600 4.389 4.290 4.515 . 0 0 "[ . 1 . 2 . 3]" 1 1581 1 59 ILE HA 1 62 ILE H . . 4.900 3.487 3.257 3.684 . 0 0 "[ . 1 . 2 . 3]" 1 1582 1 59 ILE HA 1 62 ILE MD . . 7.600 3.889 2.935 5.373 . 0 0 "[ . 1 . 2 . 3]" 1 1583 1 59 ILE HA 1 63 GLU H . . 5.400 3.903 3.637 4.127 . 0 0 "[ . 1 . 2 . 3]" 1 1584 1 59 ILE HA 1 69 PRO QB . . 7.600 2.937 2.613 3.245 . 0 0 "[ . 1 . 2 . 3]" 1 1585 1 59 ILE HB 1 60 HIS H . . 3.400 2.743 2.668 2.817 . 0 0 "[ . 1 . 2 . 3]" 1 1586 1 59 ILE HB 1 61 THR H . . 5.000 4.994 4.927 5.025 0.025 1 0 "[ . 1 . 2 . 3]" 1 1587 1 59 ILE HB 1 69 PRO QG . . 7.480 4.024 3.870 4.166 . 0 0 "[ . 1 . 2 . 3]" 1 1588 1 59 ILE MD 1 60 HIS H . . 7.100 4.577 4.517 4.648 . 0 0 "[ . 1 . 2 . 3]" 1 1589 1 59 ILE MD 1 61 THR H . . 7.600 6.375 6.350 6.402 . 0 0 "[ . 1 . 2 . 3]" 1 1590 1 59 ILE MD 1 69 PRO QB . . 8.600 3.963 3.638 4.337 . 0 0 "[ . 1 . 2 . 3]" 1 1591 1 59 ILE MD 1 69 PRO QG . . 8.480 3.591 3.241 3.945 . 0 0 "[ . 1 . 2 . 3]" 1 1592 1 59 ILE MD 1 70 SER H . . 7.600 6.163 5.467 6.368 . 0 0 "[ . 1 . 2 . 3]" 1 1593 1 59 ILE MD 1 71 LEU H . . 7.600 4.058 3.239 4.630 . 0 0 "[ . 1 . 2 . 3]" 1 1594 1 59 ILE QG 1 60 HIS H . . 6.900 4.331 4.274 4.420 . 0 0 "[ . 1 . 2 . 3]" 1 1595 1 59 ILE QG 1 61 THR H . . 7.600 5.656 5.556 5.791 . 0 0 "[ . 1 . 2 . 3]" 1 1596 1 59 ILE QG 1 68 GLU QB . . 8.480 6.746 6.623 6.869 . 0 0 "[ . 1 . 2 . 3]" 1 1597 1 59 ILE MG 1 60 HIS H . . 5.800 2.942 2.770 3.137 . 0 0 "[ . 1 . 2 . 3]" 1 1598 1 59 ILE MG 1 60 HIS HA . . 7.600 3.148 2.971 3.281 . 0 0 "[ . 1 . 2 . 3]" 1 1599 1 59 ILE MG 1 60 HIS QB . . 8.600 4.121 3.383 4.479 . 0 0 "[ . 1 . 2 . 3]" 1 1600 1 59 ILE MG 1 60 HIS HD2 . . 7.600 4.101 2.301 5.447 . 0 0 "[ . 1 . 2 . 3]" 1 1601 1 59 ILE MG 1 61 THR H . . 7.600 4.748 4.622 4.848 . 0 0 "[ . 1 . 2 . 3]" 1 1602 1 59 ILE MG 1 63 GLU H . . 7.600 3.978 3.790 4.205 . 0 0 "[ . 1 . 2 . 3]" 1 1603 1 59 ILE MG 1 63 GLU QG . . 8.480 2.898 2.315 4.400 . 0 0 "[ . 1 . 2 . 3]" 1 1604 1 59 ILE MG 1 68 GLU HA . . 7.600 5.235 4.991 5.464 . 0 0 "[ . 1 . 2 . 3]" 1 1605 1 59 ILE MG 1 69 PRO QD . . 8.600 3.187 2.843 3.446 . 0 0 "[ . 1 . 2 . 3]" 1 1606 1 59 ILE MG 1 69 PRO HG2 . . 7.600 2.217 2.170 2.361 . 0 0 "[ . 1 . 2 . 3]" 1 1607 1 59 ILE MG 1 69 PRO HG3 . . 7.600 2.803 2.300 3.154 . 0 0 "[ . 1 . 2 . 3]" 1 1608 1 59 ILE MG 1 70 SER HA . . 7.600 5.559 4.770 6.027 . 0 0 "[ . 1 . 2 . 3]" 1 1609 1 60 HIS H 1 60 HIS HD2 . . 5.300 3.528 2.557 4.543 . 0 0 "[ . 1 . 2 . 3]" 1 1610 1 60 HIS H 1 61 THR H . . 4.400 2.585 2.537 2.647 . 0 0 "[ . 1 . 2 . 3]" 1 1611 1 60 HIS H 1 61 THR HB . . 4.600 4.672 4.628 4.700 0.100 22 0 "[ . 1 . 2 . 3]" 1 1612 1 60 HIS H 1 62 ILE H . . 4.500 4.268 4.121 4.447 . 0 0 "[ . 1 . 2 . 3]" 1 1613 1 60 HIS HA 1 60 HIS HE1 . . 6.600 5.184 4.386 6.430 . 0 0 "[ . 1 . 2 . 3]" 1 1614 1 60 HIS HA 1 63 GLU H . . 4.900 3.445 2.990 3.883 . 0 0 "[ . 1 . 2 . 3]" 1 1615 1 60 HIS HA 1 63 GLU HB2 . . 6.600 2.912 2.197 5.019 . 0 0 "[ . 1 . 2 . 3]" 1 1616 1 60 HIS HA 1 63 GLU HB3 . . 6.600 3.880 2.764 4.458 . 0 0 "[ . 1 . 2 . 3]" 1 1617 1 60 HIS HA 1 63 GLU HG2 . . 6.600 3.987 2.153 5.009 . 0 0 "[ . 1 . 2 . 3]" 1 1618 1 60 HIS HA 1 63 GLU HG3 . . 6.600 3.359 2.019 4.200 . 0 0 "[ . 1 . 2 . 3]" 1 1619 1 60 HIS HA 1 64 SER H . . 5.400 3.860 3.561 4.220 . 0 0 "[ . 1 . 2 . 3]" 1 1620 1 60 HIS QB 1 61 THR H . . 5.000 2.793 2.423 3.651 . 0 0 "[ . 1 . 2 . 3]" 1 1621 1 60 HIS HD2 1 63 GLU QB . . 7.480 6.030 4.162 6.719 . 0 0 "[ . 1 . 2 . 3]" 1 1622 1 61 THR H 1 61 THR HB . . 3.200 2.401 2.328 2.462 . 0 0 "[ . 1 . 2 . 3]" 1 1623 1 61 THR H 1 61 THR MG . . 4.400 3.763 3.721 3.783 . 0 0 "[ . 1 . 2 . 3]" 1 1624 1 61 THR H 1 62 ILE H . . 3.700 2.775 2.666 2.860 . 0 0 "[ . 1 . 2 . 3]" 1 1625 1 61 THR H 1 62 ILE HA . . 6.600 5.374 5.277 5.453 . 0 0 "[ . 1 . 2 . 3]" 1 1626 1 61 THR H 1 62 ILE HB . . 6.600 4.935 4.803 5.100 . 0 0 "[ . 1 . 2 . 3]" 1 1627 1 61 THR H 1 62 ILE MD . . 7.600 5.448 5.071 5.886 . 0 0 "[ . 1 . 2 . 3]" 1 1628 1 61 THR H 1 62 ILE QG . . 7.600 4.489 4.271 4.668 . 0 0 "[ . 1 . 2 . 3]" 1 1629 1 61 THR H 1 63 GLU H . . 5.500 4.202 4.057 4.387 . 0 0 "[ . 1 . 2 . 3]" 1 1630 1 61 THR H 1 64 SER H . . 6.600 4.739 4.543 5.330 . 0 0 "[ . 1 . 2 . 3]" 1 1631 1 61 THR H 1 64 SER QB . . 7.480 5.072 4.701 5.437 . 0 0 "[ . 1 . 2 . 3]" 1 1632 1 61 THR H 1 69 PRO QB . . 7.600 6.469 6.191 6.802 . 0 0 "[ . 1 . 2 . 3]" 1 1633 1 61 THR HA 1 62 ILE HA . . 6.600 4.728 4.666 4.786 . 0 0 "[ . 1 . 2 . 3]" 1 1634 1 61 THR HA 1 63 GLU H . . 6.600 4.724 4.607 4.965 . 0 0 "[ . 1 . 2 . 3]" 1 1635 1 61 THR HA 1 64 SER H . . 4.800 3.691 3.306 4.504 . 0 0 "[ . 1 . 2 . 3]" 1 1636 1 61 THR HA 1 64 SER HA . . 6.600 5.579 5.278 6.369 . 0 0 "[ . 1 . 2 . 3]" 1 1637 1 61 THR HA 1 64 SER QB . . 7.480 2.885 2.614 3.509 . 0 0 "[ . 1 . 2 . 3]" 1 1638 1 61 THR HB 1 62 ILE H . . 3.700 2.606 2.443 2.830 . 0 0 "[ . 1 . 2 . 3]" 1 1639 1 61 THR HB 1 62 ILE HA . . 6.600 4.512 4.360 4.815 . 0 0 "[ . 1 . 2 . 3]" 1 1640 1 61 THR HB 1 62 ILE MG . . 7.600 5.552 5.340 5.869 . 0 0 "[ . 1 . 2 . 3]" 1 1641 1 61 THR HB 1 63 GLU H . . 5.300 5.098 4.928 5.301 0.001 23 0 "[ . 1 . 2 . 3]" 1 1642 1 61 THR MG 1 62 ILE H . . 6.600 3.376 3.196 3.647 . 0 0 "[ . 1 . 2 . 3]" 1 1643 1 61 THR MG 1 62 ILE HA . . 7.600 3.484 3.246 4.004 . 0 0 "[ . 1 . 2 . 3]" 1 1644 1 61 THR MG 1 62 ILE HB . . 7.600 4.977 4.750 5.347 . 0 0 "[ . 1 . 2 . 3]" 1 1645 1 61 THR MG 1 62 ILE QG . . 8.600 3.215 2.833 3.655 . 0 0 "[ . 1 . 2 . 3]" 1 1646 1 61 THR MG 1 65 LEU H . . 7.600 4.560 3.999 5.569 . 0 0 "[ . 1 . 2 . 3]" 1 1647 1 62 ILE H 1 62 ILE HB . . 3.300 2.403 2.320 2.565 . 0 0 "[ . 1 . 2 . 3]" 1 1648 1 62 ILE H 1 62 ILE MD . . 5.300 3.534 3.167 3.773 . 0 0 "[ . 1 . 2 . 3]" 1 1649 1 62 ILE H 1 62 ILE MG . . 4.600 3.765 3.741 3.816 . 0 0 "[ . 1 . 2 . 3]" 1 1650 1 62 ILE H 1 63 GLU H . . 3.800 2.695 2.646 2.804 . 0 0 "[ . 1 . 2 . 3]" 1 1651 1 62 ILE H 1 63 GLU HB2 . . 6.200 5.047 4.434 6.262 0.062 16 0 "[ . 1 . 2 . 3]" 1 1652 1 62 ILE H 1 63 GLU QB . . 5.750 4.607 4.266 4.953 . 0 0 "[ . 1 . 2 . 3]" 1 1653 1 62 ILE H 1 63 GLU HB3 . . 6.200 5.865 4.703 6.210 0.010 20 0 "[ . 1 . 2 . 3]" 1 1654 1 62 ILE H 1 63 GLU QG . . 7.180 4.521 3.905 5.707 . 0 0 "[ . 1 . 2 . 3]" 1 1655 1 62 ILE H 1 64 SER H . . 5.700 4.186 3.979 4.467 . 0 0 "[ . 1 . 2 . 3]" 1 1656 1 62 ILE H 1 65 LEU H . . 5.700 4.760 4.497 5.507 . 0 0 "[ . 1 . 2 . 3]" 1 1657 1 62 ILE H 1 69 PRO QB . . 7.600 4.671 4.398 5.117 . 0 0 "[ . 1 . 2 . 3]" 1 1658 1 62 ILE H 1 69 PRO QG . . 7.480 3.801 3.499 4.160 . 0 0 "[ . 1 . 2 . 3]" 1 1659 1 62 ILE HA 1 63 GLU HA . . 6.600 4.865 4.741 4.953 . 0 0 "[ . 1 . 2 . 3]" 1 1660 1 62 ILE HA 1 64 SER H . . 5.600 4.368 4.108 4.617 . 0 0 "[ . 1 . 2 . 3]" 1 1661 1 62 ILE HA 1 65 LEU H . . 4.400 3.084 2.737 3.691 . 0 0 "[ . 1 . 2 . 3]" 1 1662 1 62 ILE HA 1 65 LEU HB2 . . 6.600 2.782 2.290 3.828 . 0 0 "[ . 1 . 2 . 3]" 1 1663 1 62 ILE HA 1 65 LEU HB3 . . 6.600 4.328 3.917 5.343 . 0 0 "[ . 1 . 2 . 3]" 1 1664 1 62 ILE HA 1 65 LEU MD1 . . 7.600 2.614 2.309 4.964 . 0 0 "[ . 1 . 2 . 3]" 1 1665 1 62 ILE HA 1 65 LEU MD2 . . 7.600 4.226 2.787 4.723 . 0 0 "[ . 1 . 2 . 3]" 1 1666 1 62 ILE HA 1 69 PRO QB . . 7.600 5.180 4.896 5.628 . 0 0 "[ . 1 . 2 . 3]" 1 1667 1 62 ILE HB 1 63 GLU H . . 3.800 2.825 2.564 3.055 . 0 0 "[ . 1 . 2 . 3]" 1 1668 1 62 ILE HB 1 64 SER H . . 5.800 5.266 5.088 5.430 . 0 0 "[ . 1 . 2 . 3]" 1 1669 1 62 ILE HB 1 69 PRO QG . . 7.480 2.237 2.049 2.531 . 0 0 "[ . 1 . 2 . 3]" 1 1670 1 62 ILE MD 1 63 GLU H . . 7.600 4.796 4.538 4.968 . 0 0 "[ . 1 . 2 . 3]" 1 1671 1 62 ILE MD 1 67 PHE H . . 7.600 5.912 5.028 6.366 . 0 0 "[ . 1 . 2 . 3]" 1 1672 1 62 ILE MD 1 69 PRO QB . . 8.600 2.807 2.088 4.332 . 0 0 "[ . 1 . 2 . 3]" 1 1673 1 62 ILE MD 1 69 PRO QG . . 8.480 3.723 2.904 4.881 . 0 0 "[ . 1 . 2 . 3]" 1 1674 1 62 ILE QG 1 63 GLU H . . 7.600 4.240 4.111 4.354 . 0 0 "[ . 1 . 2 . 3]" 1 1675 1 62 ILE QG 1 67 PHE H . . 7.600 5.921 5.480 6.786 . 0 0 "[ . 1 . 2 . 3]" 1 1676 1 62 ILE QG 1 67 PHE QD . . 9.600 4.496 3.840 5.625 . 0 0 "[ . 1 . 2 . 3]" 1 1677 1 62 ILE QG 1 69 PRO QB . . 8.600 3.556 2.448 4.314 . 0 0 "[ . 1 . 2 . 3]" 1 1678 1 62 ILE MG 1 63 GLU H . . 6.500 3.449 3.176 3.624 . 0 0 "[ . 1 . 2 . 3]" 1 1679 1 62 ILE MG 1 63 GLU HA . . 7.600 3.634 2.914 3.880 . 0 0 "[ . 1 . 2 . 3]" 1 1680 1 62 ILE MG 1 66 GLY H . . 7.600 4.221 3.663 4.745 . 0 0 "[ . 1 . 2 . 3]" 1 1681 1 62 ILE MG 1 67 PHE H . . 6.500 3.103 2.800 3.592 . 0 0 "[ . 1 . 2 . 3]" 1 1682 1 62 ILE MG 1 67 PHE HA . . 7.600 4.354 4.137 4.791 . 0 0 "[ . 1 . 2 . 3]" 1 1683 1 62 ILE MG 1 67 PHE HB2 . . 7.600 2.178 2.024 2.588 . 0 0 "[ . 1 . 2 . 3]" 1 1684 1 62 ILE MG 1 67 PHE HB3 . . 7.600 3.494 3.252 3.925 . 0 0 "[ . 1 . 2 . 3]" 1 1685 1 62 ILE MG 1 67 PHE QD . . 9.600 2.362 2.069 2.802 . 0 0 "[ . 1 . 2 . 3]" 1 1686 1 62 ILE MG 1 67 PHE QE . . 9.600 4.264 3.585 4.668 . 0 0 "[ . 1 . 2 . 3]" 1 1687 1 62 ILE MG 1 68 GLU H . . 7.600 4.372 3.984 4.951 . 0 0 "[ . 1 . 2 . 3]" 1 1688 1 62 ILE MG 1 68 GLU HA . . 7.600 4.213 3.873 4.658 . 0 0 "[ . 1 . 2 . 3]" 1 1689 1 62 ILE MG 1 69 PRO HA . . 7.600 3.550 3.051 3.997 . 0 0 "[ . 1 . 2 . 3]" 1 1690 1 62 ILE MG 1 69 PRO QB . . 8.600 2.334 2.151 2.652 . 0 0 "[ . 1 . 2 . 3]" 1 1691 1 62 ILE MG 1 69 PRO QD . . 8.600 2.353 2.149 3.432 . 0 0 "[ . 1 . 2 . 3]" 1 1692 1 62 ILE MG 1 69 PRO HG2 . . 7.600 4.294 4.100 4.669 . 0 0 "[ . 1 . 2 . 3]" 1 1693 1 62 ILE MG 1 69 PRO HG3 . . 7.600 3.144 2.860 3.436 . 0 0 "[ . 1 . 2 . 3]" 1 1694 1 63 GLU H 1 63 GLU HB2 . . 3.900 2.684 2.083 3.642 . 0 0 "[ . 1 . 2 . 3]" 1 1695 1 63 GLU H 1 63 GLU QB . . 3.600 2.387 2.060 2.579 . 0 0 "[ . 1 . 2 . 3]" 1 1696 1 63 GLU H 1 63 GLU HB3 . . 3.900 3.313 2.231 3.633 . 0 0 "[ . 1 . 2 . 3]" 1 1697 1 63 GLU H 1 63 GLU HG2 . . 4.300 3.308 2.190 3.734 . 0 0 "[ . 1 . 2 . 3]" 1 1698 1 63 GLU H 1 63 GLU QG . . 3.780 2.385 2.104 3.412 . 0 0 "[ . 1 . 2 . 3]" 1 1699 1 63 GLU H 1 63 GLU HG3 . . 4.300 2.751 2.124 4.287 . 0 0 "[ . 1 . 2 . 3]" 1 1700 1 63 GLU H 1 64 SER H . . 3.600 2.811 2.671 2.923 . 0 0 "[ . 1 . 2 . 3]" 1 1701 1 63 GLU H 1 64 SER QB . . 6.480 4.719 4.304 5.044 . 0 0 "[ . 1 . 2 . 3]" 1 1702 1 63 GLU H 1 65 LEU H . . 5.500 4.151 3.933 4.432 . 0 0 "[ . 1 . 2 . 3]" 1 1703 1 63 GLU H 1 67 PHE H . . 6.600 4.789 4.591 5.291 . 0 0 "[ . 1 . 2 . 3]" 1 1704 1 63 GLU H 1 69 PRO QB . . 7.600 4.703 4.433 5.292 . 0 0 "[ . 1 . 2 . 3]" 1 1705 1 63 GLU H 1 69 PRO QG . . 7.480 3.130 2.712 3.601 . 0 0 "[ . 1 . 2 . 3]" 1 1706 1 63 GLU HA 1 64 SER HA . . 6.600 4.832 4.710 5.026 . 0 0 "[ . 1 . 2 . 3]" 1 1707 1 63 GLU HA 1 65 LEU H . . 5.300 4.237 3.677 4.610 . 0 0 "[ . 1 . 2 . 3]" 1 1708 1 63 GLU HA 1 66 GLY H . . 5.100 3.316 2.978 3.463 . 0 0 "[ . 1 . 2 . 3]" 1 1709 1 63 GLU HA 1 67 PHE H . . 4.100 2.896 2.605 3.099 . 0 0 "[ . 1 . 2 . 3]" 1 1710 1 63 GLU HA 1 68 GLU HA . . 6.600 4.200 3.526 4.759 . 0 0 "[ . 1 . 2 . 3]" 1 1711 1 63 GLU HA 1 69 PRO QG . . 7.480 4.437 3.840 4.914 . 0 0 "[ . 1 . 2 . 3]" 1 1712 1 63 GLU QB 1 64 SER H . . 3.700 2.698 2.365 3.380 . 0 0 "[ . 1 . 2 . 3]" 1 1713 1 63 GLU QB 1 64 SER HA . . 7.480 4.106 3.873 4.823 . 0 0 "[ . 1 . 2 . 3]" 1 1714 1 63 GLU QB 1 64 SER QB . . 8.350 4.444 3.793 5.300 . 0 0 "[ . 1 . 2 . 3]" 1 1715 1 63 GLU QB 1 67 PHE H . . 6.180 4.835 4.219 5.070 . 0 0 "[ . 1 . 2 . 3]" 1 1716 1 63 GLU QB 1 69 PRO QB . . 8.480 5.768 4.674 6.582 . 0 0 "[ . 1 . 2 . 3]" 1 1717 1 63 GLU HB2 1 64 SER H . . 3.900 2.869 2.419 3.977 0.077 10 0 "[ . 1 . 2 . 3]" 1 1718 1 63 GLU HB3 1 64 SER H . . 3.900 3.513 2.786 3.918 0.018 7 0 "[ . 1 . 2 . 3]" 1 1719 1 63 GLU QG 1 64 SER H . . 6.200 3.733 2.065 4.567 . 0 0 "[ . 1 . 2 . 3]" 1 1720 1 63 GLU QG 1 64 SER HA . . 7.480 5.385 3.311 5.923 . 0 0 "[ . 1 . 2 . 3]" 1 1721 1 63 GLU QG 1 68 GLU HA . . 7.480 4.076 2.785 6.445 . 0 0 "[ . 1 . 2 . 3]" 1 1722 1 63 GLU HG2 1 64 SER H . . 6.600 4.505 2.179 5.102 . 0 0 "[ . 1 . 2 . 3]" 1 1723 1 63 GLU HG3 1 64 SER H . . 6.600 4.081 2.075 5.204 . 0 0 "[ . 1 . 2 . 3]" 1 1724 1 64 SER H 1 64 SER HB2 . . 3.700 2.541 2.284 2.704 . 0 0 "[ . 1 . 2 . 3]" 1 1725 1 64 SER H 1 64 SER QB . . 3.490 2.437 2.183 2.633 . 0 0 "[ . 1 . 2 . 3]" 1 1726 1 64 SER H 1 64 SER HB3 . . 3.700 3.223 2.625 3.678 . 0 0 "[ . 1 . 2 . 3]" 1 1727 1 64 SER H 1 65 LEU H . . 3.700 2.897 2.797 3.168 . 0 0 "[ . 1 . 2 . 3]" 1 1728 1 64 SER H 1 65 LEU HA . . 6.600 5.507 5.442 5.696 . 0 0 "[ . 1 . 2 . 3]" 1 1729 1 64 SER H 1 65 LEU QB . . 7.480 5.014 4.838 5.245 . 0 0 "[ . 1 . 2 . 3]" 1 1730 1 64 SER H 1 65 LEU MD1 . . 7.600 5.707 5.512 6.331 . 0 0 "[ . 1 . 2 . 3]" 1 1731 1 64 SER H 1 65 LEU MD2 . . 7.600 5.293 3.882 6.065 . 0 0 "[ . 1 . 2 . 3]" 1 1732 1 64 SER H 1 66 GLY H . . 5.600 4.136 3.983 4.286 . 0 0 "[ . 1 . 2 . 3]" 1 1733 1 64 SER HA 1 66 GLY H . . 5.600 4.032 3.633 4.416 . 0 0 "[ . 1 . 2 . 3]" 1 1734 1 64 SER HA 1 66 GLY QA . . 7.480 4.729 4.536 5.012 . 0 0 "[ . 1 . 2 . 3]" 1 1735 1 64 SER HA 1 67 PHE H . . 6.100 5.990 5.757 6.156 0.056 21 0 "[ . 1 . 2 . 3]" 1 1736 1 64 SER HB2 1 65 LEU H . . 4.600 3.404 2.700 4.361 . 0 0 "[ . 1 . 2 . 3]" 1 1737 1 64 SER HB3 1 65 LEU H . . 4.600 3.486 2.662 4.194 . 0 0 "[ . 1 . 2 . 3]" 1 1738 1 65 LEU H 1 65 LEU QB . . 3.670 2.519 2.282 2.605 . 0 0 "[ . 1 . 2 . 3]" 1 1739 1 65 LEU H 1 65 LEU MD1 . . 5.100 3.746 3.585 3.925 . 0 0 "[ . 1 . 2 . 3]" 1 1740 1 65 LEU H 1 65 LEU MD2 . . 5.100 3.271 1.985 3.715 . 0 0 "[ . 1 . 2 . 3]" 1 1741 1 65 LEU H 1 65 LEU HG . . 3.400 2.411 2.148 3.484 0.084 23 0 "[ . 1 . 2 . 3]" 1 1742 1 65 LEU H 1 66 GLY H . . 3.600 2.574 2.230 2.760 . 0 0 "[ . 1 . 2 . 3]" 1 1743 1 65 LEU H 1 67 PHE H . . 4.900 4.212 3.775 4.500 . 0 0 "[ . 1 . 2 . 3]" 1 1744 1 65 LEU H 1 67 PHE QD . . 8.300 4.993 4.278 5.835 . 0 0 "[ . 1 . 2 . 3]" 1 1745 1 65 LEU HA 1 66 GLY QA . . 7.480 4.255 4.140 4.319 . 0 0 "[ . 1 . 2 . 3]" 1 1746 1 65 LEU HA 1 67 PHE H . . 5.900 5.392 5.079 5.668 . 0 0 "[ . 1 . 2 . 3]" 1 1747 1 65 LEU HA 1 67 PHE QD . . 8.600 5.367 4.973 5.826 . 0 0 "[ . 1 . 2 . 3]" 1 1748 1 65 LEU HA 1 67 PHE QE . . 8.600 5.094 4.589 5.960 . 0 0 "[ . 1 . 2 . 3]" 1 1749 1 65 LEU QB 1 66 GLY H . . 4.520 2.972 2.490 3.323 . 0 0 "[ . 1 . 2 . 3]" 1 1750 1 65 LEU HB2 1 66 GLY H . . 4.800 3.069 2.544 3.459 . 0 0 "[ . 1 . 2 . 3]" 1 1751 1 65 LEU HB3 1 66 GLY H . . 4.800 3.997 3.533 4.357 . 0 0 "[ . 1 . 2 . 3]" 1 1752 1 65 LEU QD 1 67 PHE H . . 9.170 4.975 4.681 5.229 . 0 0 "[ . 1 . 2 . 3]" 1 1753 1 65 LEU QD 1 67 PHE QD . . 11.170 3.270 2.693 4.428 . 0 0 "[ . 1 . 2 . 3]" 1 1754 1 65 LEU QD 1 67 PHE QE . . 11.170 3.058 2.423 3.960 . 0 0 "[ . 1 . 2 . 3]" 1 1755 1 65 LEU MD1 1 66 GLY H . . 7.600 4.877 4.395 5.207 . 0 0 "[ . 1 . 2 . 3]" 1 1756 1 65 LEU MD2 1 66 GLY H . . 7.600 4.699 4.151 4.848 . 0 0 "[ . 1 . 2 . 3]" 1 1757 1 65 LEU HG 1 66 GLY H . . 5.900 4.519 4.087 5.271 . 0 0 "[ . 1 . 2 . 3]" 1 1758 1 65 LEU HG 1 66 GLY QA . . 7.480 6.050 5.815 6.428 . 0 0 "[ . 1 . 2 . 3]" 1 1759 1 65 LEU HG 1 67 PHE H . . 5.900 5.746 5.154 5.941 0.041 16 0 "[ . 1 . 2 . 3]" 1 1760 1 66 GLY H 1 67 PHE H . . 3.300 2.315 2.075 2.615 . 0 0 "[ . 1 . 2 . 3]" 1 1761 1 66 GLY H 1 67 PHE HA . . 6.600 5.030 4.850 5.239 . 0 0 "[ . 1 . 2 . 3]" 1 1762 1 66 GLY H 1 67 PHE QD . . 8.600 4.392 3.573 4.837 . 0 0 "[ . 1 . 2 . 3]" 1 1763 1 66 GLY QA 1 67 PHE QB . . 7.420 4.708 4.651 4.785 . 0 0 "[ . 1 . 2 . 3]" 1 1764 1 66 GLY QA 1 67 PHE QD . . 9.480 4.316 3.990 4.478 . 0 0 "[ . 1 . 2 . 3]" 1 1765 1 66 GLY QA 1 67 PHE QE . . 9.480 4.841 4.514 5.353 . 0 0 "[ . 1 . 2 . 3]" 1 1766 1 66 GLY HA2 1 67 PHE HB2 . . 8.350 5.578 5.406 5.740 . 0 0 "[ . 1 . 2 . 3]" 1 1767 1 66 GLY HA2 1 67 PHE HB3 . . 8.350 6.171 6.020 6.261 . 0 0 "[ . 1 . 2 . 3]" 1 1768 1 67 PHE H 1 67 PHE HB2 . . 3.900 2.903 2.775 3.088 . 0 0 "[ . 1 . 2 . 3]" 1 1769 1 67 PHE H 1 67 PHE QB . . 3.550 2.828 2.716 2.983 . 0 0 "[ . 1 . 2 . 3]" 1 1770 1 67 PHE H 1 67 PHE HB3 . . 3.900 3.904 3.862 3.943 0.043 21 0 "[ . 1 . 2 . 3]" 1 1771 1 67 PHE H 1 67 PHE QE . . 6.000 5.094 4.886 5.358 . 0 0 "[ . 1 . 2 . 3]" 1 1772 1 67 PHE H 1 68 GLU H . . 4.500 4.403 4.290 4.502 0.002 8 0 "[ . 1 . 2 . 3]" 1 1773 1 67 PHE H 1 69 PRO QB . . 7.500 6.082 5.558 6.344 . 0 0 "[ . 1 . 2 . 3]" 1 1774 1 67 PHE HA 1 68 GLU H . . 3.200 2.433 2.319 2.617 . 0 0 "[ . 1 . 2 . 3]" 1 1775 1 67 PHE HA 1 68 GLU QB . . 7.480 4.423 3.874 4.672 . 0 0 "[ . 1 . 2 . 3]" 1 1776 1 67 PHE QB 1 68 GLU H . . 3.450 2.673 2.405 3.097 . 0 0 "[ . 1 . 2 . 3]" 1 1777 1 67 PHE QB 1 68 GLU HA . . 7.480 4.378 4.194 4.534 . 0 0 "[ . 1 . 2 . 3]" 1 1778 1 67 PHE HB2 1 68 GLU H . . 3.800 3.592 3.426 3.822 0.022 1 0 "[ . 1 . 2 . 3]" 1 1779 1 67 PHE HB3 1 68 GLU H . . 3.800 2.760 2.456 3.274 . 0 0 "[ . 1 . 2 . 3]" 1 1780 1 67 PHE QD 1 68 GLU H . . 7.400 4.285 4.006 4.751 . 0 0 "[ . 1 . 2 . 3]" 1 1781 1 68 GLU H 1 68 GLU HB2 . . 3.500 2.378 2.222 2.659 . 0 0 "[ . 1 . 2 . 3]" 1 1782 1 68 GLU H 1 68 GLU HB3 . . 3.500 3.486 2.423 3.599 0.099 27 0 "[ . 1 . 2 . 3]" 1 1783 1 68 GLU H 1 68 GLU HG2 . . 4.600 3.769 3.362 4.317 . 0 0 "[ . 1 . 2 . 3]" 1 1784 1 68 GLU H 1 68 GLU QG . . 4.170 2.670 2.161 3.883 . 0 0 "[ . 1 . 2 . 3]" 1 1785 1 68 GLU H 1 68 GLU HG3 . . 4.600 2.801 2.185 4.547 . 0 0 "[ . 1 . 2 . 3]" 1 1786 1 68 GLU H 1 69 PRO QD . . 7.600 4.019 3.695 4.210 . 0 0 "[ . 1 . 2 . 3]" 1 1787 1 69 PRO HA 1 70 SER H . . 3.200 2.320 2.193 2.450 . 0 0 "[ . 1 . 2 . 3]" 1 1788 1 69 PRO HA 1 70 SER HA . . 6.600 4.547 4.467 4.590 . 0 0 "[ . 1 . 2 . 3]" 1 1789 1 70 SER H 1 71 LEU H . . 5.100 4.286 3.974 4.548 . 0 0 "[ . 1 . 2 . 3]" 1 1790 1 70 SER H 1 72 VAL H . . 5.900 5.353 4.468 5.968 0.068 21 0 "[ . 1 . 2 . 3]" 1 1791 1 70 SER HA 1 71 LEU H . . 3.300 2.211 2.120 2.344 . 0 0 "[ . 1 . 2 . 3]" 1 1792 1 70 SER HA 1 71 LEU HA . . 6.600 4.493 4.310 4.589 . 0 0 "[ . 1 . 2 . 3]" 1 1793 1 70 SER HA 1 71 LEU QD . . 9.170 3.651 2.684 5.258 . 0 0 "[ . 1 . 2 . 3]" 1 1794 1 70 SER QB 1 71 LEU H . . 4.320 3.676 3.217 3.923 . 0 0 "[ . 1 . 2 . 3]" 1 1795 1 70 SER QB 1 71 LEU QD . . 10.050 4.735 3.307 5.528 . 0 0 "[ . 1 . 2 . 3]" 1 1796 1 70 SER HB2 1 71 LEU H . . 4.600 4.337 3.526 4.621 0.021 26 0 "[ . 1 . 2 . 3]" 1 1797 1 70 SER HB3 1 71 LEU H . . 4.600 4.025 3.328 4.426 . 0 0 "[ . 1 . 2 . 3]" 1 1798 1 71 LEU H 1 71 LEU MD1 . . 5.400 3.642 1.959 3.974 . 0 0 "[ . 1 . 2 . 3]" 1 1799 1 71 LEU H 1 71 LEU MD2 . . 5.400 2.551 1.773 4.230 . 0 0 "[ . 1 . 2 . 3]" 1 1800 1 71 LEU H 1 71 LEU HG . . 3.400 2.735 2.326 3.531 0.131 5 0 "[ . 1 . 2 . 3]" 1 1801 1 71 LEU H 1 72 VAL H . . 4.900 4.027 3.559 4.639 . 0 0 "[ . 1 . 2 . 3]" 1 1802 1 71 LEU HA 1 72 VAL H . . 3.200 2.416 2.089 2.626 . 0 0 "[ . 1 . 2 . 3]" 1 1803 1 71 LEU HA 1 72 VAL HA . . 6.600 4.540 4.422 4.665 . 0 0 "[ . 1 . 2 . 3]" 1 1804 1 71 LEU QB 1 72 VAL H . . 5.000 3.751 2.921 4.048 . 0 0 "[ . 1 . 2 . 3]" 1 1805 1 71 LEU MD1 1 72 VAL H . . 7.600 5.111 3.729 5.694 . 0 0 "[ . 1 . 2 . 3]" 1 1806 1 71 LEU MD2 1 72 VAL H . . 7.600 4.665 2.893 5.484 . 0 0 "[ . 1 . 2 . 3]" 1 1807 1 71 LEU HG 1 72 VAL H . . 5.700 4.679 4.136 5.450 . 0 0 "[ . 1 . 2 . 3]" 1 1808 1 72 VAL H 1 72 VAL HB . . 3.500 2.715 2.297 3.572 0.072 16 0 "[ . 1 . 2 . 3]" 1 1809 1 72 VAL H 1 73 LYS H . . 4.500 2.784 1.930 4.101 . 0 0 "[ . 1 . 2 . 3]" 1 1810 1 72 VAL H 1 73 LYS QD . . 7.600 5.934 3.159 6.805 . 0 0 "[ . 1 . 2 . 3]" 1 1811 1 72 VAL HA 1 73 LYS H . . 3.600 3.289 2.187 3.620 0.020 17 0 "[ . 1 . 2 . 3]" 1 1812 1 72 VAL HA 1 73 LYS QD . . 7.600 5.655 3.412 6.781 . 0 0 "[ . 1 . 2 . 3]" 1 1813 1 72 VAL HB 1 73 LYS H . . 4.400 3.362 2.001 4.461 0.061 20 0 "[ . 1 . 2 . 3]" 1 1814 1 72 VAL HB 1 73 LYS QD . . 7.600 6.112 4.377 6.860 . 0 0 "[ . 1 . 2 . 3]" 1 1815 1 72 VAL QG 1 73 LYS QD . . 10.160 4.772 2.580 5.775 . 0 0 "[ . 1 . 2 . 3]" 1 1816 1 72 VAL MG1 1 73 LYS H . . 6.900 3.389 2.079 4.272 . 0 0 "[ . 1 . 2 . 3]" 1 1817 1 72 VAL MG2 1 73 LYS H . . 6.900 3.873 2.156 4.372 . 0 0 "[ . 1 . 2 . 3]" 1 1818 1 73 LYS H 1 73 LYS QD . . 6.000 4.153 1.983 5.309 . 0 0 "[ . 1 . 2 . 3]" 1 1819 1 73 LYS HA 1 74 ILE H . . 3.200 2.603 2.141 3.390 0.190 10 0 "[ . 1 . 2 . 3]" 1 1820 1 73 LYS QB 1 74 ILE H . . 5.040 3.104 1.872 4.087 . 0 0 "[ . 1 . 2 . 3]" 1 1821 1 73 LYS HB2 1 74 ILE H . . 5.500 3.717 2.013 4.658 . 0 0 "[ . 1 . 2 . 3]" 1 1822 1 73 LYS HB3 1 74 ILE H . . 5.500 3.597 1.946 4.724 . 0 0 "[ . 1 . 2 . 3]" 1 1823 1 73 LYS QD 1 74 ILE H . . 7.600 4.032 1.993 5.761 . 0 0 "[ . 1 . 2 . 3]" 1 1824 1 73 LYS QG 1 74 ILE H . . 7.600 3.506 2.022 4.829 . 0 0 "[ . 1 . 2 . 3]" 1 1825 1 74 ILE H 1 75 GLU H . . 5.000 3.721 1.999 4.741 . 0 0 "[ . 1 . 2 . 3]" 1 1826 1 74 ILE HB 1 75 GLU H . . 4.500 3.401 2.013 4.544 0.044 9 0 "[ . 1 . 2 . 3]" 1 1827 1 74 ILE MD 1 75 GLU H . . 7.600 4.037 2.162 5.335 . 0 0 "[ . 1 . 2 . 3]" 1 1828 1 74 ILE QG 1 75 GLU H . . 7.480 3.476 1.851 4.428 . 0 0 "[ . 1 . 2 . 3]" 1 1829 1 74 ILE MG 1 75 GLU H . . 7.100 3.131 1.904 4.396 . 0 0 "[ . 1 . 2 . 3]" 1 stop_ save_
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