NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
416478 | 2djv | 10261 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2djv 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 1238 _Distance_constraint_stats_list.Viol_count 148 _Distance_constraint_stats_list.Viol_total 29.998 _Distance_constraint_stats_list.Viol_max 0.205 _Distance_constraint_stats_list.Viol_rms 0.0022 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0001 _Distance_constraint_stats_list.Viol_average_violations_only 0.0101 _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 7 GLY 0.000 0.000 . 0 "[ . 1 . 2]" 1 8 THR 0.000 0.000 . 0 "[ . 1 . 2]" 1 9 THR 0.001 0.001 15 0 "[ . 1 . 2]" 1 10 ALA 0.002 0.001 15 0 "[ . 1 . 2]" 1 11 LYS 0.000 0.000 . 0 "[ . 1 . 2]" 1 12 PRO 0.005 0.005 11 0 "[ . 1 . 2]" 1 13 GLN 0.000 0.000 . 0 "[ . 1 . 2]" 1 14 GLN 0.001 0.001 15 0 "[ . 1 . 2]" 1 15 ILE 0.006 0.005 11 0 "[ . 1 . 2]" 1 16 GLN 0.000 0.000 . 0 "[ . 1 . 2]" 1 17 ALA 0.000 0.000 16 0 "[ . 1 . 2]" 1 18 LEU 0.016 0.007 7 0 "[ . 1 . 2]" 1 19 MET 0.006 0.006 7 0 "[ . 1 . 2]" 1 20 ASP 0.000 0.000 . 0 "[ . 1 . 2]" 1 21 GLU 0.012 0.004 7 0 "[ . 1 . 2]" 1 22 VAL 0.004 0.004 15 0 "[ . 1 . 2]" 1 23 THR 0.019 0.008 7 0 "[ . 1 . 2]" 1 24 LYS 0.052 0.012 7 0 "[ . 1 . 2]" 1 25 GLN 0.039 0.012 7 0 "[ . 1 . 2]" 1 26 GLY 0.005 0.003 18 0 "[ . 1 . 2]" 1 27 ASN 0.040 0.011 7 0 "[ . 1 . 2]" 1 28 ILE 0.035 0.012 7 0 "[ . 1 . 2]" 1 29 VAL 0.036 0.012 7 0 "[ . 1 . 2]" 1 30 ARG 0.057 0.019 16 0 "[ . 1 . 2]" 1 31 GLU 0.077 0.024 19 0 "[ . 1 . 2]" 1 32 LEU 0.074 0.024 19 0 "[ . 1 . 2]" 1 33 LYS 0.009 0.004 7 0 "[ . 1 . 2]" 1 34 ALA 0.001 0.001 15 0 "[ . 1 . 2]" 1 35 GLN 0.006 0.003 16 0 "[ . 1 . 2]" 1 36 LYS 0.029 0.027 15 0 "[ . 1 . 2]" 1 37 ALA 0.006 0.003 16 0 "[ . 1 . 2]" 1 38 ASP 0.007 0.007 7 0 "[ . 1 . 2]" 1 39 LYS 0.000 0.000 . 0 "[ . 1 . 2]" 1 40 ASN 0.008 0.007 7 0 "[ . 1 . 2]" 1 41 GLU 0.001 0.001 3 0 "[ . 1 . 2]" 1 42 VAL 0.017 0.007 15 0 "[ . 1 . 2]" 1 43 ALA 0.002 0.002 15 0 "[ . 1 . 2]" 1 44 ALA 0.000 0.000 . 0 "[ . 1 . 2]" 1 45 GLU 0.021 0.011 7 0 "[ . 1 . 2]" 1 46 VAL 0.007 0.007 15 0 "[ . 1 . 2]" 1 47 ALA 0.001 0.001 18 0 "[ . 1 . 2]" 1 48 LYS 0.231 0.205 20 0 "[ . 1 . 2]" 1 49 LEU 0.032 0.011 12 0 "[ . 1 . 2]" 1 50 LEU 0.011 0.005 18 0 "[ . 1 . 2]" 1 51 ASP 0.033 0.027 15 0 "[ . 1 . 2]" 1 52 LEU 0.083 0.050 15 0 "[ . 1 . 2]" 1 53 LYS 0.101 0.050 15 0 "[ . 1 . 2]" 1 54 LYS 0.080 0.028 15 0 "[ . 1 . 2]" 1 55 GLN 0.005 0.003 10 0 "[ . 1 . 2]" 1 56 LEU 0.029 0.007 7 0 "[ . 1 . 2]" 1 57 ALA 0.015 0.007 7 0 "[ . 1 . 2]" 1 58 VAL 0.100 0.092 10 0 "[ . 1 . 2]" 1 59 ALA 0.093 0.092 10 0 "[ . 1 . 2]" 1 60 GLU 0.001 0.001 7 0 "[ . 1 . 2]" 1 61 GLY 0.000 0.000 . 0 "[ . 1 . 2]" 1 62 LYS 0.052 0.052 11 0 "[ . 1 . 2]" 1 63 PRO 0.052 0.052 11 0 "[ . 1 . 2]" 1 64 PRO 0.247 0.078 14 0 "[ . 1 . 2]" 1 65 GLU 0.099 0.064 14 0 "[ . 1 . 2]" 1 66 ALA 0.495 0.116 16 0 "[ . 1 . 2]" 1 67 PRO 0.347 0.116 16 0 "[ . 1 . 2]" 1 68 LYS 0.000 0.000 . 0 "[ . 1 . 2]" 1 70 LYS 0.000 0.000 . 0 "[ . 1 . 2]" stop_ loop_ _Distance_constraint_stats.Restraint_ID _Distance_constraint_stats.Atom_1_entity_assembly_ID _Distance_constraint_stats.Atom_1_comp_index_ID _Distance_constraint_stats.Atom_1_comp_ID _Distance_constraint_stats.Atom_1_ID _Distance_constraint_stats.Atom_2_entity_assembly_ID _Distance_constraint_stats.Atom_2_comp_index_ID _Distance_constraint_stats.Atom_2_comp_ID _Distance_constraint_stats.Atom_2_ID _Distance_constraint_stats.Node_1_distance_val _Distance_constraint_stats.Node_1_distance_lower_bound_val _Distance_constraint_stats.Node_1_distance_upper_bound_val _Distance_constraint_stats.Distance_average _Distance_constraint_stats.Distance_minimum _Distance_constraint_stats.Distance_maximum _Distance_constraint_stats.Max_violation _Distance_constraint_stats.Max_violation_model_number _Distance_constraint_stats.Over_cutoff_violation_count _Distance_constraint_stats.Over_cutoff_viol_per_model _Distance_constraint_stats.Distance_constraint_stats_ID 1 1 7 GLY QA 1 8 THR MG . . 5.150 4.069 3.392 5.108 . 0 0 "[ . 1 . 2]" 1 2 1 8 THR HB 1 9 THR H . . 5.500 3.888 2.147 4.633 . 0 0 "[ . 1 . 2]" 1 3 1 9 THR H 1 9 THR MG . . 4.230 2.894 1.885 3.972 . 0 0 "[ . 1 . 2]" 1 4 1 9 THR HA 1 9 THR MG . . 3.300 2.584 2.209 3.205 . 0 0 "[ . 1 . 2]" 1 5 1 9 THR HA 1 10 ALA MB . . 4.980 4.010 3.711 4.977 . 0 0 "[ . 1 . 2]" 1 6 1 9 THR MG 1 10 ALA H . . 4.240 3.551 2.047 4.241 0.001 15 0 "[ . 1 . 2]" 1 7 1 10 ALA H 1 14 GLN HG2 . . 5.500 4.825 4.433 5.334 . 0 0 "[ . 1 . 2]" 1 8 1 10 ALA HA 1 11 LYS H . . 3.040 2.297 2.140 2.455 . 0 0 "[ . 1 . 2]" 1 9 1 10 ALA HA 1 12 PRO QD . . 4.750 3.564 3.172 3.924 . 0 0 "[ . 1 . 2]" 1 10 1 10 ALA MB 1 11 LYS H . . 3.680 2.717 2.277 3.260 . 0 0 "[ . 1 . 2]" 1 11 1 10 ALA MB 1 12 PRO HD2 . . 4.780 2.501 2.081 3.126 . 0 0 "[ . 1 . 2]" 1 12 1 10 ALA MB 1 12 PRO HD3 . . 4.780 4.068 3.728 4.669 . 0 0 "[ . 1 . 2]" 1 13 1 10 ALA MB 1 12 PRO QG . . 5.090 2.931 2.721 3.740 . 0 0 "[ . 1 . 2]" 1 14 1 10 ALA MB 1 13 GLN H . . 4.200 2.551 2.211 2.846 . 0 0 "[ . 1 . 2]" 1 15 1 10 ALA MB 1 13 GLN HA . . 4.310 3.958 3.778 4.222 . 0 0 "[ . 1 . 2]" 1 16 1 10 ALA MB 1 13 GLN QG . . 4.770 2.733 1.775 3.617 . 0 0 "[ . 1 . 2]" 1 17 1 10 ALA MB 1 14 GLN QB . . 4.800 4.552 2.836 4.801 0.001 15 0 "[ . 1 . 2]" 1 18 1 10 ALA MB 1 14 GLN HG2 . . 5.440 4.838 3.839 5.132 . 0 0 "[ . 1 . 2]" 1 19 1 11 LYS H 1 11 LYS HB2 . . 3.970 2.398 2.148 3.010 . 0 0 "[ . 1 . 2]" 1 20 1 11 LYS H 1 11 LYS QB . . 3.250 2.130 2.103 2.194 . 0 0 "[ . 1 . 2]" 1 21 1 11 LYS H 1 11 LYS HB3 . . 3.970 3.073 2.147 3.470 . 0 0 "[ . 1 . 2]" 1 22 1 11 LYS H 1 11 LYS QG . . 3.900 3.372 2.916 3.842 . 0 0 "[ . 1 . 2]" 1 23 1 11 LYS H 1 12 PRO HD2 . . 4.590 1.976 1.821 2.270 . 0 0 "[ . 1 . 2]" 1 24 1 11 LYS H 1 12 PRO QD . . 4.020 1.953 1.809 2.232 . 0 0 "[ . 1 . 2]" 1 25 1 11 LYS H 1 12 PRO HD3 . . 4.590 3.073 3.012 3.291 . 0 0 "[ . 1 . 2]" 1 26 1 11 LYS H 1 12 PRO QG . . 4.570 3.888 3.690 4.154 . 0 0 "[ . 1 . 2]" 1 27 1 11 LYS HA 1 11 LYS QD . . 4.550 2.529 2.036 3.741 . 0 0 "[ . 1 . 2]" 1 28 1 11 LYS HA 1 12 PRO QD . . 3.520 3.468 3.466 3.469 . 0 0 "[ . 1 . 2]" 1 29 1 11 LYS HA 1 14 GLN QB . . 4.560 4.040 3.857 4.318 . 0 0 "[ . 1 . 2]" 1 30 1 11 LYS QB 1 12 PRO QD . . 3.000 1.831 1.685 1.882 . 0 0 "[ . 1 . 2]" 1 31 1 11 LYS QB 1 12 PRO QG . . 4.070 3.640 3.416 3.774 . 0 0 "[ . 1 . 2]" 1 32 1 11 LYS HB2 1 12 PRO HD2 . . 4.400 2.884 2.187 3.953 . 0 0 "[ . 1 . 2]" 1 33 1 11 LYS HB2 1 12 PRO HD3 . . 4.400 2.433 1.950 3.551 . 0 0 "[ . 1 . 2]" 1 34 1 11 LYS HB2 1 14 GLN HG2 . . 5.500 5.146 4.709 5.470 . 0 0 "[ . 1 . 2]" 1 35 1 11 LYS HB3 1 12 PRO HD2 . . 4.400 3.115 2.449 3.422 . 0 0 "[ . 1 . 2]" 1 36 1 11 LYS HB3 1 12 PRO HD3 . . 4.400 2.271 1.960 2.435 . 0 0 "[ . 1 . 2]" 1 37 1 11 LYS HB3 1 14 GLN HG2 . . 5.500 4.909 4.470 5.497 . 0 0 "[ . 1 . 2]" 1 38 1 11 LYS QD 1 14 GLN HG2 . . 5.500 4.072 3.352 5.390 . 0 0 "[ . 1 . 2]" 1 39 1 11 LYS QG 1 12 PRO HD2 . . 4.930 3.925 3.212 4.430 . 0 0 "[ . 1 . 2]" 1 40 1 11 LYS QG 1 12 PRO HD3 . . 4.930 3.269 1.970 3.929 . 0 0 "[ . 1 . 2]" 1 41 1 11 LYS QG 1 14 GLN HG2 . . 5.090 4.558 3.968 4.973 . 0 0 "[ . 1 . 2]" 1 42 1 12 PRO HA 1 15 ILE H . . 4.790 4.070 3.852 4.287 . 0 0 "[ . 1 . 2]" 1 43 1 12 PRO HA 1 15 ILE HB . . 4.180 3.696 3.181 4.099 . 0 0 "[ . 1 . 2]" 1 44 1 12 PRO HA 1 15 ILE MD . . 4.050 1.970 1.780 2.350 . 0 0 "[ . 1 . 2]" 1 45 1 12 PRO HA 1 15 ILE MG . . 4.940 4.529 4.223 4.746 . 0 0 "[ . 1 . 2]" 1 46 1 12 PRO QB 1 15 ILE HB . . 5.280 4.983 4.635 5.280 . 0 0 "[ . 1 . 2]" 1 47 1 12 PRO QD 1 13 GLN H . . 4.800 2.868 2.614 2.971 . 0 0 "[ . 1 . 2]" 1 48 1 12 PRO QD 1 15 ILE MD . . 4.600 4.279 3.796 4.571 . 0 0 "[ . 1 . 2]" 1 49 1 12 PRO HD2 1 15 ILE MD . . 5.420 5.182 4.701 5.425 0.005 11 0 "[ . 1 . 2]" 1 50 1 12 PRO HD3 1 15 ILE MD . . 5.420 4.561 4.006 4.921 . 0 0 "[ . 1 . 2]" 1 51 1 12 PRO QG 1 15 ILE MD . . 5.120 4.649 4.430 4.921 . 0 0 "[ . 1 . 2]" 1 52 1 13 GLN H 1 13 GLN QG . . 4.470 3.633 2.723 4.179 . 0 0 "[ . 1 . 2]" 1 53 1 13 GLN H 1 15 ILE MD . . 5.140 4.298 4.054 4.715 . 0 0 "[ . 1 . 2]" 1 54 1 13 GLN HA 1 13 GLN QG . . 3.610 2.512 2.266 2.954 . 0 0 "[ . 1 . 2]" 1 55 1 13 GLN QB 1 14 GLN H . . 3.890 2.353 1.971 2.681 . 0 0 "[ . 1 . 2]" 1 56 1 13 GLN QG 1 14 GLN H . . 4.790 3.876 3.273 4.390 . 0 0 "[ . 1 . 2]" 1 57 1 14 GLN H 1 14 GLN HG2 . . 3.620 2.481 2.299 2.726 . 0 0 "[ . 1 . 2]" 1 58 1 14 GLN H 1 14 GLN HG3 . . 5.170 3.452 3.101 3.725 . 0 0 "[ . 1 . 2]" 1 59 1 14 GLN H 1 15 ILE H . . 4.110 2.777 2.509 2.925 . 0 0 "[ . 1 . 2]" 1 60 1 14 GLN H 1 15 ILE HB . . 5.110 4.978 4.826 5.082 . 0 0 "[ . 1 . 2]" 1 61 1 14 GLN H 1 17 ALA MB . . 5.100 4.948 4.692 5.100 . 0 0 "[ . 1 . 2]" 1 62 1 14 GLN HA 1 14 GLN HG2 . . 3.990 3.848 3.716 3.968 . 0 0 "[ . 1 . 2]" 1 63 1 14 GLN HA 1 17 ALA H . . 4.390 3.384 3.038 3.552 . 0 0 "[ . 1 . 2]" 1 64 1 14 GLN HA 1 17 ALA MB . . 3.480 2.587 2.400 2.740 . 0 0 "[ . 1 . 2]" 1 65 1 14 GLN QB 1 15 ILE H . . 3.760 3.488 3.293 3.608 . 0 0 "[ . 1 . 2]" 1 66 1 14 GLN QB 1 15 ILE HA . . 5.050 4.505 4.414 4.615 . 0 0 "[ . 1 . 2]" 1 67 1 14 GLN QB 1 15 ILE HG13 . . 5.400 4.723 4.526 4.981 . 0 0 "[ . 1 . 2]" 1 68 1 14 GLN QB 1 17 ALA MB . . 4.360 3.532 3.084 3.731 . 0 0 "[ . 1 . 2]" 1 69 1 14 GLN QB 1 18 LEU H . . 5.500 4.409 4.082 4.847 . 0 0 "[ . 1 . 2]" 1 70 1 14 GLN QB 1 18 LEU QD . . 4.010 3.104 2.500 3.571 . 0 0 "[ . 1 . 2]" 1 71 1 14 GLN QB 1 18 LEU HG . . 4.600 3.378 3.125 3.765 . 0 0 "[ . 1 . 2]" 1 72 1 14 GLN QE 1 18 LEU QD . . 4.800 2.916 1.915 3.882 . 0 0 "[ . 1 . 2]" 1 73 1 14 GLN HG2 1 15 ILE HB . . 5.500 5.081 4.334 5.494 . 0 0 "[ . 1 . 2]" 1 74 1 14 GLN HG2 1 15 ILE MD . . 4.940 4.511 3.944 4.920 . 0 0 "[ . 1 . 2]" 1 75 1 14 GLN HG2 1 18 LEU QD . . 5.130 3.796 3.520 4.253 . 0 0 "[ . 1 . 2]" 1 76 1 14 GLN HG2 1 18 LEU HG . . 5.500 5.300 4.952 5.486 . 0 0 "[ . 1 . 2]" 1 77 1 14 GLN HG2 1 59 ALA MB . . 4.790 3.912 3.299 4.790 . 0 0 "[ . 1 . 2]" 1 78 1 14 GLN HG3 1 15 ILE HB . . 4.920 4.567 4.372 4.917 . 0 0 "[ . 1 . 2]" 1 79 1 14 GLN HG3 1 17 ALA MB . . 5.010 4.885 4.558 5.010 . 16 0 "[ . 1 . 2]" 1 80 1 14 GLN HG3 1 18 LEU QD . . 4.410 2.349 2.000 2.820 . 0 0 "[ . 1 . 2]" 1 81 1 14 GLN HG3 1 18 LEU HG . . 4.900 3.728 3.218 3.967 . 0 0 "[ . 1 . 2]" 1 82 1 14 GLN HG3 1 59 ALA MB . . 4.510 3.021 2.389 4.050 . 0 0 "[ . 1 . 2]" 1 83 1 15 ILE H 1 15 ILE HB . . 3.520 2.567 2.438 2.680 . 0 0 "[ . 1 . 2]" 1 84 1 15 ILE H 1 15 ILE MD . . 4.050 3.430 3.241 3.563 . 0 0 "[ . 1 . 2]" 1 85 1 15 ILE H 1 15 ILE HG12 . . 3.610 3.463 3.257 3.607 . 0 0 "[ . 1 . 2]" 1 86 1 15 ILE H 1 15 ILE HG13 . . 3.780 2.075 1.900 2.286 . 0 0 "[ . 1 . 2]" 1 87 1 15 ILE H 1 15 ILE MG . . 4.130 3.770 3.747 3.782 . 0 0 "[ . 1 . 2]" 1 88 1 15 ILE H 1 16 GLN H . . 3.510 3.060 2.931 3.221 . 0 0 "[ . 1 . 2]" 1 89 1 15 ILE H 1 18 LEU QD . . 4.860 3.667 3.366 4.028 . 0 0 "[ . 1 . 2]" 1 90 1 15 ILE HA 1 15 ILE MD . . 4.040 3.839 3.803 3.876 . 0 0 "[ . 1 . 2]" 1 91 1 15 ILE HA 1 15 ILE HG12 . . 3.940 2.592 2.498 2.724 . 0 0 "[ . 1 . 2]" 1 92 1 15 ILE HA 1 15 ILE HG13 . . 3.970 2.806 2.678 2.952 . 0 0 "[ . 1 . 2]" 1 93 1 15 ILE HA 1 15 ILE MG . . 3.310 2.443 2.351 2.512 . 0 0 "[ . 1 . 2]" 1 94 1 15 ILE HA 1 17 ALA MB . . 5.380 4.918 4.728 5.158 . 0 0 "[ . 1 . 2]" 1 95 1 15 ILE HA 1 18 LEU H . . 4.190 3.490 3.155 3.719 . 0 0 "[ . 1 . 2]" 1 96 1 15 ILE HA 1 18 LEU HB2 . . 4.580 2.743 2.269 3.020 . 0 0 "[ . 1 . 2]" 1 97 1 15 ILE HA 1 18 LEU HB3 . . 4.580 4.327 3.849 4.531 . 0 0 "[ . 1 . 2]" 1 98 1 15 ILE HA 1 18 LEU QD . . 3.670 2.235 1.948 2.598 . 0 0 "[ . 1 . 2]" 1 99 1 15 ILE HA 1 19 MET H . . 5.180 3.952 3.726 4.295 . 0 0 "[ . 1 . 2]" 1 100 1 15 ILE HA 1 56 LEU MD2 . . 4.050 3.557 3.191 4.040 . 0 0 "[ . 1 . 2]" 1 101 1 15 ILE HA 1 59 ALA MB . . 4.240 2.967 2.611 3.460 . 0 0 "[ . 1 . 2]" 1 102 1 15 ILE HB 1 15 ILE MD . . 3.260 2.274 2.148 2.372 . 0 0 "[ . 1 . 2]" 1 103 1 15 ILE HB 1 16 GLN H . . 3.410 2.290 2.108 2.628 . 0 0 "[ . 1 . 2]" 1 104 1 15 ILE HB 1 16 GLN HA . . 5.060 4.264 4.139 4.471 . 0 0 "[ . 1 . 2]" 1 105 1 15 ILE HB 1 59 ALA MB . . 4.630 4.512 4.226 4.631 0.001 11 0 "[ . 1 . 2]" 1 106 1 15 ILE MD 1 16 GLN H . . 5.050 4.222 3.993 4.506 . 0 0 "[ . 1 . 2]" 1 107 1 15 ILE MD 1 60 GLU H . . 4.730 4.117 3.494 4.476 . 0 0 "[ . 1 . 2]" 1 108 1 15 ILE MD 1 60 GLU HA . . 3.420 2.418 2.021 3.160 . 0 0 "[ . 1 . 2]" 1 109 1 15 ILE MD 1 60 GLU HB2 . . 5.150 4.740 4.365 5.107 . 0 0 "[ . 1 . 2]" 1 110 1 15 ILE MD 1 60 GLU HB3 . . 5.150 4.311 3.776 4.837 . 0 0 "[ . 1 . 2]" 1 111 1 15 ILE MD 1 60 GLU HG2 . . 4.100 3.033 2.659 3.801 . 0 0 "[ . 1 . 2]" 1 112 1 15 ILE MD 1 60 GLU QG . . 3.440 2.852 2.257 3.398 . 0 0 "[ . 1 . 2]" 1 113 1 15 ILE MD 1 60 GLU HG3 . . 4.100 3.795 2.274 4.068 . 0 0 "[ . 1 . 2]" 1 114 1 15 ILE HG12 1 15 ILE MG . . 3.280 2.276 2.148 2.397 . 0 0 "[ . 1 . 2]" 1 115 1 15 ILE HG12 1 60 GLU H . . 4.940 3.758 3.071 4.494 . 0 0 "[ . 1 . 2]" 1 116 1 15 ILE HG12 1 60 GLU HA . . 4.640 3.396 2.922 4.299 . 0 0 "[ . 1 . 2]" 1 117 1 15 ILE HG12 1 60 GLU QG . . 4.160 3.162 2.672 3.898 . 0 0 "[ . 1 . 2]" 1 118 1 15 ILE HG13 1 59 ALA HA . . 5.340 4.776 4.322 5.123 . 0 0 "[ . 1 . 2]" 1 119 1 15 ILE HG13 1 59 ALA MB . . 4.130 2.841 2.437 3.195 . 0 0 "[ . 1 . 2]" 1 120 1 15 ILE HG13 1 60 GLU HA . . 5.500 4.632 4.082 5.412 . 0 0 "[ . 1 . 2]" 1 121 1 15 ILE HG13 1 60 GLU QG . . 5.340 4.637 4.307 5.335 . 0 0 "[ . 1 . 2]" 1 122 1 15 ILE MG 1 16 GLN H . . 3.700 2.987 2.760 3.328 . 0 0 "[ . 1 . 2]" 1 123 1 15 ILE MG 1 16 GLN HA . . 4.000 3.179 2.920 3.432 . 0 0 "[ . 1 . 2]" 1 124 1 15 ILE MG 1 18 LEU H . . 5.080 4.543 4.185 4.881 . 0 0 "[ . 1 . 2]" 1 125 1 15 ILE MG 1 18 LEU QD . . 4.480 3.664 3.056 3.904 . 0 0 "[ . 1 . 2]" 1 126 1 15 ILE MG 1 19 MET H . . 4.700 3.643 3.258 4.018 . 0 0 "[ . 1 . 2]" 1 127 1 15 ILE MG 1 19 MET ME . . 3.150 2.209 1.766 3.149 . 0 0 "[ . 1 . 2]" 1 128 1 15 ILE MG 1 19 MET QG . . 3.610 2.498 2.032 2.939 . 0 0 "[ . 1 . 2]" 1 129 1 15 ILE MG 1 59 ALA MB . . 4.030 3.330 2.919 3.763 . 0 0 "[ . 1 . 2]" 1 130 1 15 ILE MG 1 60 GLU H . . 5.170 4.239 3.387 4.783 . 0 0 "[ . 1 . 2]" 1 131 1 15 ILE MG 1 60 GLU HA . . 4.290 3.660 2.454 4.281 . 0 0 "[ . 1 . 2]" 1 132 1 15 ILE MG 1 60 GLU HG2 . . 4.000 2.529 1.966 3.279 . 0 0 "[ . 1 . 2]" 1 133 1 15 ILE MG 1 60 GLU QG . . 3.450 2.314 1.815 2.980 . 0 0 "[ . 1 . 2]" 1 134 1 15 ILE MG 1 60 GLU HG3 . . 4.000 2.870 2.095 3.635 . 0 0 "[ . 1 . 2]" 1 135 1 16 GLN H 1 16 GLN HB2 . . 3.560 2.457 2.220 2.623 . 0 0 "[ . 1 . 2]" 1 136 1 16 GLN H 1 16 GLN QB . . 3.030 2.234 2.154 2.263 . 0 0 "[ . 1 . 2]" 1 137 1 16 GLN H 1 16 GLN HB3 . . 3.560 2.617 2.433 2.903 . 0 0 "[ . 1 . 2]" 1 138 1 16 GLN H 1 16 GLN QG . . 4.190 4.045 3.987 4.076 . 0 0 "[ . 1 . 2]" 1 139 1 16 GLN H 1 17 ALA H . . 3.510 2.880 2.686 3.018 . 0 0 "[ . 1 . 2]" 1 140 1 16 GLN H 1 18 LEU H . . 5.090 4.339 3.968 4.668 . 0 0 "[ . 1 . 2]" 1 141 1 16 GLN H 1 19 MET H . . 5.100 4.946 4.729 5.096 . 0 0 "[ . 1 . 2]" 1 142 1 16 GLN HA 1 16 GLN HE21 . . 4.880 2.895 2.040 3.751 . 0 0 "[ . 1 . 2]" 1 143 1 16 GLN HA 1 16 GLN QE . . 4.150 2.724 2.002 3.340 . 0 0 "[ . 1 . 2]" 1 144 1 16 GLN HA 1 16 GLN HE22 . . 4.880 3.401 2.904 3.908 . 0 0 "[ . 1 . 2]" 1 145 1 16 GLN HA 1 16 GLN QG . . 3.900 2.970 2.654 3.213 . 0 0 "[ . 1 . 2]" 1 146 1 16 GLN HA 1 19 MET QB . . 3.640 2.956 2.588 3.372 . 0 0 "[ . 1 . 2]" 1 147 1 16 GLN HA 1 19 MET ME . . 3.910 2.498 1.833 3.873 . 0 0 "[ . 1 . 2]" 1 148 1 16 GLN HA 1 19 MET QG . . 4.340 3.576 2.950 4.115 . 0 0 "[ . 1 . 2]" 1 149 1 16 GLN QB 1 17 ALA H . . 3.320 2.505 2.276 2.735 . 0 0 "[ . 1 . 2]" 1 150 1 16 GLN HB2 1 17 ALA H . . 4.020 3.823 3.567 3.993 . 0 0 "[ . 1 . 2]" 1 151 1 16 GLN HB3 1 17 ALA H . . 4.020 2.541 2.295 2.785 . 0 0 "[ . 1 . 2]" 1 152 1 16 GLN QE 1 16 GLN QG . . 3.060 2.173 2.068 2.523 . 0 0 "[ . 1 . 2]" 1 153 1 16 GLN QE 1 19 MET QB . . 3.960 3.130 2.759 3.628 . 0 0 "[ . 1 . 2]" 1 154 1 16 GLN QE 1 19 MET ME . . 4.070 2.892 1.919 3.685 . 0 0 "[ . 1 . 2]" 1 155 1 16 GLN QE 1 20 ASP H . . 4.770 4.092 3.580 4.704 . 0 0 "[ . 1 . 2]" 1 156 1 16 GLN HE21 1 19 MET QB . . 4.510 3.526 2.875 4.202 . 0 0 "[ . 1 . 2]" 1 157 1 16 GLN HE21 1 19 MET ME . . 4.630 3.604 2.688 4.608 . 0 0 "[ . 1 . 2]" 1 158 1 16 GLN HE22 1 16 GLN QG . . 3.790 3.283 3.225 3.421 . 0 0 "[ . 1 . 2]" 1 159 1 16 GLN HE22 1 19 MET QB . . 4.510 3.634 2.854 4.231 . 0 0 "[ . 1 . 2]" 1 160 1 16 GLN HE22 1 19 MET ME . . 4.630 3.083 1.965 3.876 . 0 0 "[ . 1 . 2]" 1 161 1 16 GLN QG 1 17 ALA H . . 4.500 3.576 3.023 4.005 . 0 0 "[ . 1 . 2]" 1 162 1 16 GLN QG 1 17 ALA HA . . 4.490 3.673 3.308 4.231 . 0 0 "[ . 1 . 2]" 1 163 1 16 GLN QG 1 17 ALA MB . . 5.420 4.281 3.907 4.739 . 0 0 "[ . 1 . 2]" 1 164 1 16 GLN QG 1 20 ASP H . . 5.500 4.972 4.684 5.191 . 0 0 "[ . 1 . 2]" 1 165 1 17 ALA H 1 17 ALA MB . . 2.950 2.136 2.025 2.214 . 0 0 "[ . 1 . 2]" 1 166 1 17 ALA H 1 18 LEU H . . 3.530 2.711 2.463 2.888 . 0 0 "[ . 1 . 2]" 1 167 1 17 ALA H 1 18 LEU HG . . 5.500 4.590 4.286 4.985 . 0 0 "[ . 1 . 2]" 1 168 1 17 ALA H 1 19 MET H . . 4.820 4.452 4.139 4.755 . 0 0 "[ . 1 . 2]" 1 169 1 17 ALA HA 1 20 ASP H . . 4.100 3.788 3.445 4.082 . 0 0 "[ . 1 . 2]" 1 170 1 17 ALA HA 1 20 ASP HB2 . . 4.200 3.607 2.686 4.084 . 0 0 "[ . 1 . 2]" 1 171 1 17 ALA HA 1 20 ASP QB . . 3.490 3.116 2.656 3.412 . 0 0 "[ . 1 . 2]" 1 172 1 17 ALA HA 1 20 ASP HB3 . . 4.200 3.496 2.973 4.198 . 0 0 "[ . 1 . 2]" 1 173 1 17 ALA HA 1 21 GLU H . . 4.930 4.564 4.139 4.855 . 0 0 "[ . 1 . 2]" 1 174 1 17 ALA MB 1 18 LEU H . . 3.470 2.583 2.239 2.958 . 0 0 "[ . 1 . 2]" 1 175 1 17 ALA MB 1 19 MET H . . 5.030 4.754 4.517 5.013 . 0 0 "[ . 1 . 2]" 1 176 1 17 ALA MB 1 20 ASP H . . 5.180 4.759 4.498 5.082 . 0 0 "[ . 1 . 2]" 1 177 1 17 ALA MB 1 20 ASP QB . . 4.590 4.167 3.848 4.419 . 0 0 "[ . 1 . 2]" 1 178 1 17 ALA MB 1 21 GLU QG . . 4.700 3.885 3.265 4.540 . 0 0 "[ . 1 . 2]" 1 179 1 18 LEU H 1 18 LEU HB2 . . 3.640 2.447 2.208 2.569 . 0 0 "[ . 1 . 2]" 1 180 1 18 LEU H 1 18 LEU HB3 . . 3.640 3.579 3.511 3.629 . 0 0 "[ . 1 . 2]" 1 181 1 18 LEU H 1 18 LEU MD1 . . 4.420 3.403 3.159 3.679 . 0 0 "[ . 1 . 2]" 1 182 1 18 LEU H 1 18 LEU QD . . 3.790 3.114 2.969 3.348 . 0 0 "[ . 1 . 2]" 1 183 1 18 LEU H 1 18 LEU MD2 . . 4.420 3.631 3.460 3.907 . 0 0 "[ . 1 . 2]" 1 184 1 18 LEU H 1 18 LEU HG . . 3.630 2.351 2.095 2.860 . 0 0 "[ . 1 . 2]" 1 185 1 18 LEU H 1 19 MET H . . 3.500 2.840 2.488 2.969 . 0 0 "[ . 1 . 2]" 1 186 1 18 LEU H 1 19 MET QB . . 4.870 4.589 4.298 4.758 . 0 0 "[ . 1 . 2]" 1 187 1 18 LEU H 1 20 ASP H . . 4.810 4.214 3.732 4.644 . 0 0 "[ . 1 . 2]" 1 188 1 18 LEU H 1 21 GLU H . . 4.980 4.921 4.786 4.979 . 0 0 "[ . 1 . 2]" 1 189 1 18 LEU H 1 56 LEU MD2 . . 5.500 4.234 3.856 5.501 0.001 7 0 "[ . 1 . 2]" 1 190 1 18 LEU HA 1 18 LEU QD . . 3.110 2.213 1.968 2.479 . 0 0 "[ . 1 . 2]" 1 191 1 18 LEU HA 1 18 LEU HG . . 3.860 2.887 2.747 3.115 . 0 0 "[ . 1 . 2]" 1 192 1 18 LEU HA 1 21 GLU H . . 4.010 3.401 3.172 3.693 . 0 0 "[ . 1 . 2]" 1 193 1 18 LEU HA 1 21 GLU QG . . 3.370 2.299 1.953 2.792 . 0 0 "[ . 1 . 2]" 1 194 1 18 LEU HA 1 22 VAL H . . 4.820 4.044 3.284 4.436 . 0 0 "[ . 1 . 2]" 1 195 1 18 LEU HA 1 52 LEU MD2 . . 4.460 3.960 3.493 4.440 . 0 0 "[ . 1 . 2]" 1 196 1 18 LEU QB 1 18 LEU QD . . 2.700 1.876 1.794 1.939 . 0 0 "[ . 1 . 2]" 1 197 1 18 LEU QB 1 19 MET H . . 3.640 2.279 2.059 2.464 . 0 0 "[ . 1 . 2]" 1 198 1 18 LEU QB 1 21 GLU QG . . 4.670 3.973 3.503 4.479 . 0 0 "[ . 1 . 2]" 1 199 1 18 LEU QB 1 56 LEU HA . . 3.520 2.896 2.487 3.305 . 0 0 "[ . 1 . 2]" 1 200 1 18 LEU QB 1 56 LEU MD2 . . 3.130 1.964 1.704 3.126 . 0 0 "[ . 1 . 2]" 1 201 1 18 LEU QB 1 59 ALA MB . . 4.530 3.672 3.292 4.264 . 0 0 "[ . 1 . 2]" 1 202 1 18 LEU HB2 1 18 LEU MD1 . . 3.650 2.185 2.027 2.356 . 0 0 "[ . 1 . 2]" 1 203 1 18 LEU HB2 1 18 LEU MD2 . . 3.650 3.165 3.122 3.189 . 0 0 "[ . 1 . 2]" 1 204 1 18 LEU HB2 1 21 GLU QG . . 5.500 4.888 4.445 5.417 . 0 0 "[ . 1 . 2]" 1 205 1 18 LEU HB2 1 56 LEU MD2 . . 3.610 2.360 1.909 3.420 . 0 0 "[ . 1 . 2]" 1 206 1 18 LEU HB3 1 18 LEU MD1 . . 3.650 2.500 2.341 2.687 . 0 0 "[ . 1 . 2]" 1 207 1 18 LEU HB3 1 18 LEU MD2 . . 3.650 2.233 2.068 2.359 . 0 0 "[ . 1 . 2]" 1 208 1 18 LEU HB3 1 21 GLU QG . . 5.500 4.209 3.657 4.805 . 0 0 "[ . 1 . 2]" 1 209 1 18 LEU HB3 1 56 LEU MD2 . . 3.610 2.156 1.813 3.617 0.007 7 0 "[ . 1 . 2]" 1 210 1 18 LEU QD 1 19 MET H . . 4.810 3.848 3.687 4.004 . 0 0 "[ . 1 . 2]" 1 211 1 18 LEU QD 1 21 GLU H . . 5.440 4.885 4.638 5.145 . 0 0 "[ . 1 . 2]" 1 212 1 18 LEU QD 1 21 GLU QG . . 4.210 3.178 2.795 3.585 . 0 0 "[ . 1 . 2]" 1 213 1 18 LEU QD 1 55 GLN H . . 5.060 4.758 4.326 5.060 . 0 0 "[ . 1 . 2]" 1 214 1 18 LEU QD 1 55 GLN HA . . 4.410 4.003 3.613 4.410 0.000 16 0 "[ . 1 . 2]" 1 215 1 18 LEU QD 1 55 GLN QB . . 3.040 2.327 1.918 2.684 . 0 0 "[ . 1 . 2]" 1 216 1 18 LEU QD 1 55 GLN QG . . 4.490 3.832 3.370 4.177 . 0 0 "[ . 1 . 2]" 1 217 1 18 LEU QD 1 56 LEU H . . 3.970 3.731 3.047 3.942 . 0 0 "[ . 1 . 2]" 1 218 1 18 LEU QD 1 56 LEU HA . . 3.300 2.402 1.809 2.847 . 0 0 "[ . 1 . 2]" 1 219 1 18 LEU QD 1 57 ALA H . . 5.440 5.086 4.390 5.445 0.005 11 0 "[ . 1 . 2]" 1 220 1 18 LEU QD 1 59 ALA H . . 4.390 3.771 3.231 4.306 . 0 0 "[ . 1 . 2]" 1 221 1 18 LEU QD 1 59 ALA MB . . 2.940 2.045 1.641 2.646 . 0 0 "[ . 1 . 2]" 1 222 1 18 LEU QD 1 60 GLU H . . 5.260 4.495 3.674 5.025 . 0 0 "[ . 1 . 2]" 1 223 1 18 LEU MD1 1 19 MET H . . 5.500 4.115 3.903 4.366 . 0 0 "[ . 1 . 2]" 1 224 1 18 LEU MD1 1 55 GLN HB2 . . 4.850 4.312 3.434 4.794 . 0 0 "[ . 1 . 2]" 1 225 1 18 LEU MD1 1 55 GLN HB3 . . 4.850 3.205 2.402 3.631 . 0 0 "[ . 1 . 2]" 1 226 1 18 LEU MD1 1 56 LEU H . . 4.540 4.241 3.690 4.539 . 0 0 "[ . 1 . 2]" 1 227 1 18 LEU MD2 1 19 MET H . . 5.500 4.639 4.427 4.749 . 0 0 "[ . 1 . 2]" 1 228 1 18 LEU MD2 1 55 GLN HB2 . . 4.850 3.257 2.561 3.760 . 0 0 "[ . 1 . 2]" 1 229 1 18 LEU MD2 1 55 GLN HB3 . . 4.850 2.516 1.962 2.893 . 0 0 "[ . 1 . 2]" 1 230 1 18 LEU MD2 1 56 LEU H . . 4.540 4.197 3.180 4.540 . 0 0 "[ . 1 . 2]" 1 231 1 18 LEU HG 1 19 MET H . . 4.990 4.363 4.068 4.629 . 0 0 "[ . 1 . 2]" 1 232 1 18 LEU HG 1 21 GLU QG . . 4.740 4.590 4.229 4.744 0.004 7 0 "[ . 1 . 2]" 1 233 1 19 MET H 1 19 MET QB . . 3.230 2.394 2.194 2.638 . 0 0 "[ . 1 . 2]" 1 234 1 19 MET H 1 19 MET ME . . 4.810 3.947 3.396 4.784 . 0 0 "[ . 1 . 2]" 1 235 1 19 MET H 1 19 MET QG . . 3.390 2.393 1.892 2.777 . 0 0 "[ . 1 . 2]" 1 236 1 19 MET H 1 20 ASP H . . 3.480 2.936 2.733 3.164 . 0 0 "[ . 1 . 2]" 1 237 1 19 MET H 1 56 LEU MD1 . . 4.700 4.475 3.159 4.700 . 0 0 "[ . 1 . 2]" 1 238 1 19 MET H 1 56 LEU MD2 . . 4.190 2.637 2.151 4.196 0.006 7 0 "[ . 1 . 2]" 1 239 1 19 MET HA 1 19 MET HG2 . . 4.210 2.377 2.180 2.874 . 0 0 "[ . 1 . 2]" 1 240 1 19 MET HA 1 19 MET QG . . 3.430 2.276 2.137 2.527 . 0 0 "[ . 1 . 2]" 1 241 1 19 MET HA 1 19 MET HG3 . . 4.210 3.051 2.699 3.238 . 0 0 "[ . 1 . 2]" 1 242 1 19 MET HA 1 22 VAL H . . 4.290 3.761 3.556 4.279 . 0 0 "[ . 1 . 2]" 1 243 1 19 MET HA 1 22 VAL HB . . 3.670 2.988 2.366 3.611 . 0 0 "[ . 1 . 2]" 1 244 1 19 MET HA 1 56 LEU MD1 . . 4.020 3.698 1.963 4.007 . 0 0 "[ . 1 . 2]" 1 245 1 19 MET HA 1 56 LEU HG . . 5.130 3.229 2.655 3.743 . 0 0 "[ . 1 . 2]" 1 246 1 19 MET QB 1 20 ASP H . . 3.400 2.594 2.196 2.962 . 0 0 "[ . 1 . 2]" 1 247 1 19 MET QB 1 20 ASP HA . . 4.740 3.854 3.763 3.984 . 0 0 "[ . 1 . 2]" 1 248 1 19 MET QB 1 20 ASP QB . . 5.340 3.915 3.737 4.339 . 0 0 "[ . 1 . 2]" 1 249 1 19 MET QB 1 56 LEU MD1 . . 4.690 4.422 3.366 4.671 . 0 0 "[ . 1 . 2]" 1 250 1 19 MET ME 1 20 ASP H . . 5.210 4.927 4.221 5.209 . 0 0 "[ . 1 . 2]" 1 251 1 19 MET QG 1 56 LEU MD1 . . 3.530 2.689 1.931 3.186 . 0 0 "[ . 1 . 2]" 1 252 1 19 MET QG 1 56 LEU MD2 . . 3.200 2.069 1.818 2.793 . 0 0 "[ . 1 . 2]" 1 253 1 19 MET QG 1 56 LEU HG . . 4.390 3.374 2.886 3.910 . 0 0 "[ . 1 . 2]" 1 254 1 19 MET HG2 1 20 ASP H . . 5.250 4.956 4.829 5.123 . 0 0 "[ . 1 . 2]" 1 255 1 19 MET HG2 1 56 LEU MD2 . . 3.730 2.313 1.970 3.159 . 0 0 "[ . 1 . 2]" 1 256 1 19 MET HG3 1 20 ASP H . . 5.250 4.561 4.208 4.903 . 0 0 "[ . 1 . 2]" 1 257 1 19 MET HG3 1 56 LEU MD2 . . 3.730 2.449 1.952 3.113 . 0 0 "[ . 1 . 2]" 1 258 1 20 ASP H 1 20 ASP HB2 . . 3.600 2.415 2.202 2.821 . 0 0 "[ . 1 . 2]" 1 259 1 20 ASP H 1 20 ASP QB . . 3.060 2.224 2.147 2.267 . 0 0 "[ . 1 . 2]" 1 260 1 20 ASP H 1 20 ASP HB3 . . 3.600 2.713 2.367 3.506 . 0 0 "[ . 1 . 2]" 1 261 1 20 ASP H 1 21 GLU H . . 3.470 2.755 2.626 2.955 . 0 0 "[ . 1 . 2]" 1 262 1 20 ASP H 1 21 GLU QG . . 4.970 4.031 3.462 4.566 . 0 0 "[ . 1 . 2]" 1 263 1 20 ASP HA 1 23 THR H . . 3.900 3.668 3.437 3.887 . 0 0 "[ . 1 . 2]" 1 264 1 20 ASP HA 1 23 THR HB . . 3.700 3.076 2.520 3.391 . 0 0 "[ . 1 . 2]" 1 265 1 20 ASP HA 1 23 THR MG . . 5.090 4.353 3.892 4.597 . 0 0 "[ . 1 . 2]" 1 266 1 20 ASP QB 1 21 GLU H . . 3.350 2.385 2.001 2.638 . 0 0 "[ . 1 . 2]" 1 267 1 20 ASP QB 1 21 GLU HA . . 5.070 3.980 3.769 4.226 . 0 0 "[ . 1 . 2]" 1 268 1 20 ASP QB 1 21 GLU QB . . 5.340 4.268 3.766 4.622 . 0 0 "[ . 1 . 2]" 1 269 1 20 ASP QB 1 21 GLU QG . . 4.670 3.473 3.069 3.896 . 0 0 "[ . 1 . 2]" 1 270 1 20 ASP HB2 1 21 GLU H . . 3.890 3.621 2.531 3.883 . 0 0 "[ . 1 . 2]" 1 271 1 20 ASP HB3 1 21 GLU H . . 3.890 2.446 2.015 2.977 . 0 0 "[ . 1 . 2]" 1 272 1 21 GLU H 1 21 GLU QB . . 3.140 2.514 2.335 2.633 . 0 0 "[ . 1 . 2]" 1 273 1 21 GLU H 1 21 GLU QG . . 3.330 2.069 1.891 2.421 . 0 0 "[ . 1 . 2]" 1 274 1 21 GLU H 1 22 VAL H . . 3.350 2.803 2.634 3.035 . 0 0 "[ . 1 . 2]" 1 275 1 21 GLU H 1 22 VAL HB . . 5.500 4.954 4.731 5.147 . 0 0 "[ . 1 . 2]" 1 276 1 21 GLU H 1 52 LEU MD2 . . 5.500 4.870 4.307 5.241 . 0 0 "[ . 1 . 2]" 1 277 1 21 GLU HA 1 21 GLU QG . . 3.650 3.065 2.760 3.339 . 0 0 "[ . 1 . 2]" 1 278 1 21 GLU HA 1 23 THR H . . 4.950 4.473 4.147 4.927 . 0 0 "[ . 1 . 2]" 1 279 1 21 GLU HA 1 25 GLN H . . 4.580 3.701 3.241 4.418 . 0 0 "[ . 1 . 2]" 1 280 1 21 GLU HA 1 52 LEU MD1 . . 5.420 4.364 3.665 5.188 . 0 0 "[ . 1 . 2]" 1 281 1 21 GLU HA 1 52 LEU MD2 . . 5.110 4.637 3.967 5.113 0.003 11 0 "[ . 1 . 2]" 1 282 1 21 GLU QB 1 22 VAL H . . 3.890 2.747 2.210 3.476 . 0 0 "[ . 1 . 2]" 1 283 1 21 GLU QB 1 22 VAL HA . . 4.950 3.976 3.767 4.343 . 0 0 "[ . 1 . 2]" 1 284 1 21 GLU QB 1 22 VAL QG . . 4.710 3.485 3.090 4.130 . 0 0 "[ . 1 . 2]" 1 285 1 21 GLU QB 1 52 LEU MD2 . . 3.370 2.501 1.734 3.217 . 0 0 "[ . 1 . 2]" 1 286 1 21 GLU QG 1 22 VAL H . . 4.500 3.160 1.892 4.192 . 0 0 "[ . 1 . 2]" 1 287 1 21 GLU QG 1 22 VAL QG . . 4.790 3.678 2.114 4.736 . 0 0 "[ . 1 . 2]" 1 288 1 21 GLU QG 1 52 LEU HB3 . . 5.500 4.920 3.905 5.503 0.003 12 0 "[ . 1 . 2]" 1 289 1 21 GLU QG 1 52 LEU MD1 . . 4.090 3.835 3.324 4.091 0.001 15 0 "[ . 1 . 2]" 1 290 1 21 GLU QG 1 52 LEU MD2 . . 3.480 2.713 2.183 3.321 . 0 0 "[ . 1 . 2]" 1 291 1 22 VAL H 1 22 VAL HB . . 3.330 2.554 2.368 2.721 . 0 0 "[ . 1 . 2]" 1 292 1 22 VAL H 1 22 VAL MG1 . . 4.040 3.761 3.725 3.772 . 0 0 "[ . 1 . 2]" 1 293 1 22 VAL H 1 22 VAL QG . . 3.180 2.211 2.026 2.458 . 0 0 "[ . 1 . 2]" 1 294 1 22 VAL H 1 22 VAL MG2 . . 4.040 2.227 2.034 2.493 . 0 0 "[ . 1 . 2]" 1 295 1 22 VAL H 1 23 THR H . . 3.470 2.824 2.743 2.993 . 0 0 "[ . 1 . 2]" 1 296 1 22 VAL H 1 23 THR HB . . 5.500 5.000 4.792 5.168 . 0 0 "[ . 1 . 2]" 1 297 1 22 VAL H 1 52 LEU MD1 . . 4.860 4.113 3.554 4.673 . 0 0 "[ . 1 . 2]" 1 298 1 22 VAL H 1 52 LEU MD2 . . 5.280 3.803 3.302 4.477 . 0 0 "[ . 1 . 2]" 1 299 1 22 VAL HA 1 22 VAL QG . . 3.100 2.089 2.024 2.145 . 0 0 "[ . 1 . 2]" 1 300 1 22 VAL HA 1 25 GLN H . . 4.530 4.016 3.447 4.466 . 0 0 "[ . 1 . 2]" 1 301 1 22 VAL HA 1 25 GLN QB . . 3.990 2.936 2.484 3.141 . 0 0 "[ . 1 . 2]" 1 302 1 22 VAL HA 1 26 GLY H . . 4.870 4.149 3.546 4.801 . 0 0 "[ . 1 . 2]" 1 303 1 22 VAL HA 1 52 LEU HB2 . . 5.130 3.905 3.483 4.340 . 0 0 "[ . 1 . 2]" 1 304 1 22 VAL HA 1 52 LEU HB3 . . 4.870 3.147 2.319 3.896 . 0 0 "[ . 1 . 2]" 1 305 1 22 VAL HA 1 52 LEU MD1 . . 4.040 2.772 2.230 3.339 . 0 0 "[ . 1 . 2]" 1 306 1 22 VAL HA 1 52 LEU MD2 . . 5.020 3.738 2.626 4.815 . 0 0 "[ . 1 . 2]" 1 307 1 22 VAL HB 1 23 THR H . . 3.810 2.521 2.313 2.773 . 0 0 "[ . 1 . 2]" 1 308 1 22 VAL HB 1 24 LYS H . . 5.500 5.291 5.025 5.489 . 0 0 "[ . 1 . 2]" 1 309 1 22 VAL HB 1 56 LEU MD1 . . 4.990 4.821 3.640 4.994 0.004 15 0 "[ . 1 . 2]" 1 310 1 22 VAL QG 1 23 THR H . . 3.520 3.134 2.824 3.293 . 0 0 "[ . 1 . 2]" 1 311 1 22 VAL QG 1 23 THR HA . . 4.280 3.376 3.124 3.571 . 0 0 "[ . 1 . 2]" 1 312 1 22 VAL QG 1 26 GLY H . . 4.820 4.035 3.457 4.421 . 0 0 "[ . 1 . 2]" 1 313 1 22 VAL QG 1 52 LEU H . . 5.200 4.846 4.353 5.113 . 0 0 "[ . 1 . 2]" 1 314 1 22 VAL QG 1 52 LEU HB2 . . 3.470 3.315 3.094 3.462 . 0 0 "[ . 1 . 2]" 1 315 1 22 VAL QG 1 52 LEU HB3 . . 3.050 2.162 1.956 2.499 . 0 0 "[ . 1 . 2]" 1 316 1 22 VAL QG 1 52 LEU MD1 . . 3.460 3.188 2.643 3.445 . 0 0 "[ . 1 . 2]" 1 317 1 22 VAL QG 1 53 LYS H . . 4.380 4.012 3.504 4.376 . 0 0 "[ . 1 . 2]" 1 318 1 22 VAL QG 1 53 LYS HA . . 3.610 3.008 2.464 3.425 . 0 0 "[ . 1 . 2]" 1 319 1 22 VAL QG 1 53 LYS QG . . 4.400 3.276 2.649 4.032 . 0 0 "[ . 1 . 2]" 1 320 1 22 VAL MG1 1 23 THR H . . 4.120 3.336 2.902 3.574 . 0 0 "[ . 1 . 2]" 1 321 1 22 VAL MG1 1 53 LYS H . . 5.490 4.706 3.897 5.441 . 0 0 "[ . 1 . 2]" 1 322 1 22 VAL MG2 1 23 THR H . . 4.120 3.826 3.744 3.917 . 0 0 "[ . 1 . 2]" 1 323 1 22 VAL MG2 1 53 LYS H . . 5.490 4.417 3.787 5.017 . 0 0 "[ . 1 . 2]" 1 324 1 23 THR H 1 23 THR HB . . 3.150 2.513 2.401 2.600 . 0 0 "[ . 1 . 2]" 1 325 1 23 THR H 1 23 THR MG . . 3.970 3.764 3.739 3.771 . 0 0 "[ . 1 . 2]" 1 326 1 23 THR H 1 24 LYS H . . 3.330 2.868 2.726 3.060 . 0 0 "[ . 1 . 2]" 1 327 1 23 THR H 1 24 LYS HB3 . . 5.030 4.802 4.606 5.033 0.003 7 0 "[ . 1 . 2]" 1 328 1 23 THR H 1 25 GLN H . . 5.210 4.307 4.015 4.569 . 0 0 "[ . 1 . 2]" 1 329 1 23 THR HA 1 23 THR MG . . 3.170 2.446 2.302 2.536 . 0 0 "[ . 1 . 2]" 1 330 1 23 THR HA 1 24 LYS HA . . 5.210 4.821 4.753 4.883 . 0 0 "[ . 1 . 2]" 1 331 1 23 THR HA 1 26 GLY H . . 4.470 3.870 3.538 4.210 . 0 0 "[ . 1 . 2]" 1 332 1 23 THR HA 1 26 GLY HA3 . . 5.450 4.286 3.681 4.879 . 0 0 "[ . 1 . 2]" 1 333 1 23 THR HA 1 27 ASN H . . 5.080 4.612 3.845 4.927 . 0 0 "[ . 1 . 2]" 1 334 1 23 THR HB 1 24 LYS H . . 3.210 2.238 2.053 2.438 . 0 0 "[ . 1 . 2]" 1 335 1 23 THR HB 1 24 LYS HA . . 5.120 4.236 4.168 4.399 . 0 0 "[ . 1 . 2]" 1 336 1 23 THR HB 1 24 LYS HB3 . . 4.650 4.571 4.365 4.657 0.007 7 0 "[ . 1 . 2]" 1 337 1 23 THR HB 1 25 GLN H . . 5.500 4.969 4.776 5.179 . 0 0 "[ . 1 . 2]" 1 338 1 23 THR MG 1 24 LYS H . . 3.890 3.029 2.609 3.270 . 0 0 "[ . 1 . 2]" 1 339 1 23 THR MG 1 24 LYS HA . . 4.040 3.211 2.886 3.481 . 0 0 "[ . 1 . 2]" 1 340 1 23 THR MG 1 24 LYS HB3 . . 5.010 4.843 4.521 4.961 . 0 0 "[ . 1 . 2]" 1 341 1 23 THR MG 1 25 GLN H . . 5.500 4.973 4.684 5.248 . 0 0 "[ . 1 . 2]" 1 342 1 23 THR MG 1 26 GLY H . . 5.500 4.888 4.541 5.337 . 0 0 "[ . 1 . 2]" 1 343 1 23 THR MG 1 27 ASN H . . 4.990 4.288 3.741 4.651 . 0 0 "[ . 1 . 2]" 1 344 1 23 THR MG 1 27 ASN HB2 . . 5.500 4.710 4.076 5.210 . 0 0 "[ . 1 . 2]" 1 345 1 23 THR MG 1 27 ASN QB . . 4.720 4.317 3.178 4.708 . 0 0 "[ . 1 . 2]" 1 346 1 23 THR MG 1 27 ASN HB3 . . 5.500 5.218 3.243 5.500 . 0 0 "[ . 1 . 2]" 1 347 1 23 THR MG 1 27 ASN HD21 . . 3.820 3.192 2.547 3.785 . 0 0 "[ . 1 . 2]" 1 348 1 23 THR MG 1 27 ASN QD . . 3.340 2.363 1.869 2.801 . 0 0 "[ . 1 . 2]" 1 349 1 23 THR MG 1 27 ASN HD22 . . 3.820 2.568 1.879 3.828 0.008 7 0 "[ . 1 . 2]" 1 350 1 24 LYS H 1 24 LYS HB3 . . 2.840 2.436 2.293 2.599 . 0 0 "[ . 1 . 2]" 1 351 1 24 LYS H 1 24 LYS QD . . 4.680 4.456 4.166 4.618 . 0 0 "[ . 1 . 2]" 1 352 1 24 LYS H 1 24 LYS HG2 . . 4.760 4.421 4.264 4.611 . 0 0 "[ . 1 . 2]" 1 353 1 24 LYS H 1 24 LYS QG . . 4.050 3.961 3.905 4.026 . 0 0 "[ . 1 . 2]" 1 354 1 24 LYS H 1 24 LYS HG3 . . 4.760 4.478 4.411 4.555 . 0 0 "[ . 1 . 2]" 1 355 1 24 LYS H 1 25 GLN H . . 3.370 2.926 2.716 3.015 . 0 0 "[ . 1 . 2]" 1 356 1 24 LYS H 1 25 GLN HA . . 5.500 5.457 5.294 5.512 0.012 7 0 "[ . 1 . 2]" 1 357 1 24 LYS H 1 26 GLY H . . 5.220 4.532 4.005 5.016 . 0 0 "[ . 1 . 2]" 1 358 1 24 LYS HA 1 24 LYS HG2 . . 3.970 3.425 2.970 3.874 . 0 0 "[ . 1 . 2]" 1 359 1 24 LYS HA 1 24 LYS QG . . 3.440 2.571 2.412 2.825 . 0 0 "[ . 1 . 2]" 1 360 1 24 LYS HA 1 24 LYS HG3 . . 3.970 2.675 2.459 2.903 . 0 0 "[ . 1 . 2]" 1 361 1 24 LYS HA 1 27 ASN H . . 4.340 3.568 3.302 3.817 . 0 0 "[ . 1 . 2]" 1 362 1 24 LYS HA 1 27 ASN QB . . 3.790 3.074 2.324 3.799 0.009 7 0 "[ . 1 . 2]" 1 363 1 24 LYS HA 1 27 ASN HD21 . . 4.630 2.454 1.939 3.212 . 0 0 "[ . 1 . 2]" 1 364 1 24 LYS HA 1 27 ASN QD . . 3.820 2.356 1.878 3.126 . 0 0 "[ . 1 . 2]" 1 365 1 24 LYS HA 1 27 ASN HD22 . . 4.630 3.278 2.025 4.291 . 0 0 "[ . 1 . 2]" 1 366 1 24 LYS HA 1 28 ILE H . . 4.840 4.281 3.995 4.792 . 0 0 "[ . 1 . 2]" 1 367 1 24 LYS HB3 1 24 LYS QE . . 4.110 3.235 2.278 4.117 0.007 10 0 "[ . 1 . 2]" 1 368 1 24 LYS HB3 1 25 GLN H . . 3.290 2.417 2.089 2.723 . 0 0 "[ . 1 . 2]" 1 369 1 24 LYS QE 1 24 LYS QG . . 3.340 2.281 2.096 2.569 . 0 0 "[ . 1 . 2]" 1 370 1 24 LYS QE 1 25 GLN H . . 5.340 4.832 3.497 5.340 . 0 0 "[ . 1 . 2]" 1 371 1 24 LYS QE 1 28 ILE MD . . 3.780 2.984 1.958 3.769 . 0 0 "[ . 1 . 2]" 1 372 1 24 LYS QG 1 25 GLN H . . 4.910 3.121 2.674 3.476 . 0 0 "[ . 1 . 2]" 1 373 1 24 LYS QG 1 28 ILE MG . . 4.790 4.548 4.235 4.794 0.004 15 0 "[ . 1 . 2]" 1 374 1 24 LYS HG2 1 28 ILE MG . . 5.500 5.015 4.451 5.508 0.008 7 0 "[ . 1 . 2]" 1 375 1 24 LYS HG3 1 28 ILE MG . . 5.500 5.292 4.591 5.501 0.001 19 0 "[ . 1 . 2]" 1 376 1 25 GLN H 1 25 GLN HB2 . . 3.720 2.260 2.166 2.371 . 0 0 "[ . 1 . 2]" 1 377 1 25 GLN H 1 25 GLN QB . . 3.210 2.176 2.118 2.223 . 0 0 "[ . 1 . 2]" 1 378 1 25 GLN H 1 25 GLN HB3 . . 3.720 2.854 2.689 2.990 . 0 0 "[ . 1 . 2]" 1 379 1 25 GLN H 1 27 ASN H . . 5.040 4.356 4.037 4.702 . 0 0 "[ . 1 . 2]" 1 380 1 25 GLN H 1 28 ILE MD . . 4.790 3.751 3.363 4.163 . 0 0 "[ . 1 . 2]" 1 381 1 25 GLN H 1 49 LEU MD1 . . 4.840 4.535 4.055 4.839 . 0 0 "[ . 1 . 2]" 1 382 1 25 GLN H 1 52 LEU MD1 . . 5.330 4.045 3.629 4.588 . 0 0 "[ . 1 . 2]" 1 383 1 25 GLN HA 1 26 GLY HA2 . . 5.180 4.851 4.778 4.903 . 0 0 "[ . 1 . 2]" 1 384 1 25 GLN HA 1 28 ILE H . . 3.790 3.492 3.316 3.757 . 0 0 "[ . 1 . 2]" 1 385 1 25 GLN HA 1 28 ILE HB . . 3.390 2.784 2.383 3.145 . 0 0 "[ . 1 . 2]" 1 386 1 25 GLN HA 1 28 ILE MD . . 3.320 2.218 1.985 2.849 . 0 0 "[ . 1 . 2]" 1 387 1 25 GLN HA 1 28 ILE HG12 . . 4.890 4.602 4.317 4.886 . 0 0 "[ . 1 . 2]" 1 388 1 25 GLN HA 1 28 ILE QG . . 4.070 3.324 2.949 3.700 . 0 0 "[ . 1 . 2]" 1 389 1 25 GLN HA 1 28 ILE HG13 . . 4.890 3.412 3.001 3.831 . 0 0 "[ . 1 . 2]" 1 390 1 25 GLN HA 1 28 ILE MG . . 4.550 4.065 3.582 4.433 . 0 0 "[ . 1 . 2]" 1 391 1 25 GLN HA 1 29 VAL H . . 4.630 4.243 3.869 4.631 0.001 10 0 "[ . 1 . 2]" 1 392 1 25 GLN HA 1 29 VAL MG2 . . 4.990 4.003 3.398 4.355 . 0 0 "[ . 1 . 2]" 1 393 1 25 GLN HA 1 49 LEU MD1 . . 4.840 4.254 3.842 4.658 . 0 0 "[ . 1 . 2]" 1 394 1 25 GLN QB 1 26 GLY H . . 3.760 2.261 1.914 2.707 . 0 0 "[ . 1 . 2]" 1 395 1 25 GLN QB 1 49 LEU QB . . 4.600 3.650 3.046 3.999 . 0 0 "[ . 1 . 2]" 1 396 1 25 GLN QB 1 49 LEU MD1 . . 3.350 2.158 1.785 2.459 . 0 0 "[ . 1 . 2]" 1 397 1 25 GLN QB 1 52 LEU MD1 . . 3.980 2.284 1.973 2.777 . 0 0 "[ . 1 . 2]" 1 398 1 25 GLN HB2 1 26 GLY H . . 4.430 3.542 3.349 3.819 . 0 0 "[ . 1 . 2]" 1 399 1 25 GLN HB3 1 26 GLY H . . 4.430 2.290 1.925 2.786 . 0 0 "[ . 1 . 2]" 1 400 1 25 GLN QE 1 28 ILE HB . . 5.150 3.479 2.780 4.289 . 0 0 "[ . 1 . 2]" 1 401 1 25 GLN QE 1 28 ILE MD . . 4.670 3.317 2.435 4.044 . 0 0 "[ . 1 . 2]" 1 402 1 25 GLN QE 1 28 ILE MG . . 3.900 3.288 2.873 3.610 . 0 0 "[ . 1 . 2]" 1 403 1 25 GLN QE 1 29 VAL MG2 . . 3.650 2.548 1.799 3.183 . 0 0 "[ . 1 . 2]" 1 404 1 25 GLN QE 1 32 LEU MD1 . . 5.340 4.121 3.613 4.388 . 0 0 "[ . 1 . 2]" 1 405 1 25 GLN QE 1 45 GLU HA . . 3.790 2.693 1.953 3.431 . 0 0 "[ . 1 . 2]" 1 406 1 25 GLN QE 1 45 GLU HB2 . . 3.940 3.400 3.062 3.627 . 0 0 "[ . 1 . 2]" 1 407 1 25 GLN QE 1 45 GLU HB3 . . 4.060 1.947 1.767 2.127 . 0 0 "[ . 1 . 2]" 1 408 1 25 GLN QE 1 45 GLU HG2 . . 5.340 4.042 3.668 4.543 . 0 0 "[ . 1 . 2]" 1 409 1 25 GLN QE 1 48 LYS QB . . 4.210 3.599 2.693 4.219 0.009 20 0 "[ . 1 . 2]" 1 410 1 25 GLN QE 1 48 LYS QD . . 4.110 2.536 1.871 3.055 . 0 0 "[ . 1 . 2]" 1 411 1 25 GLN QE 1 48 LYS QE . . 5.340 3.670 1.954 4.564 . 0 0 "[ . 1 . 2]" 1 412 1 25 GLN QE 1 49 LEU H . . 3.860 3.587 3.228 3.860 . 0 0 "[ . 1 . 2]" 1 413 1 25 GLN QE 1 49 LEU QB . . 5.180 2.944 2.380 3.401 . 0 0 "[ . 1 . 2]" 1 414 1 25 GLN QE 1 49 LEU MD1 . . 5.130 3.941 3.411 4.635 . 0 0 "[ . 1 . 2]" 1 415 1 25 GLN QE 1 52 LEU MD1 . . 5.340 3.920 3.690 4.267 . 0 0 "[ . 1 . 2]" 1 416 1 25 GLN HE21 1 28 ILE MD . . 5.370 4.172 2.953 5.114 . 0 0 "[ . 1 . 2]" 1 417 1 25 GLN HE21 1 28 ILE MG . . 4.520 4.068 3.509 4.524 0.004 20 0 "[ . 1 . 2]" 1 418 1 25 GLN HE21 1 29 VAL MG2 . . 4.400 2.821 2.084 3.316 . 0 0 "[ . 1 . 2]" 1 419 1 25 GLN HE21 1 45 GLU HA . . 4.400 3.125 2.030 3.715 . 0 0 "[ . 1 . 2]" 1 420 1 25 GLN HE21 1 45 GLU HB2 . . 4.530 3.822 3.528 4.475 . 0 0 "[ . 1 . 2]" 1 421 1 25 GLN HE21 1 45 GLU HB3 . . 4.650 2.193 1.909 2.779 . 0 0 "[ . 1 . 2]" 1 422 1 25 GLN HE21 1 48 LYS QD . . 4.810 3.063 1.896 3.736 . 0 0 "[ . 1 . 2]" 1 423 1 25 GLN HE22 1 28 ILE MD . . 5.370 3.550 2.489 4.255 . 0 0 "[ . 1 . 2]" 1 424 1 25 GLN HE22 1 28 ILE MG . . 4.520 3.481 3.016 3.803 . 0 0 "[ . 1 . 2]" 1 425 1 25 GLN HE22 1 29 VAL MG2 . . 4.400 3.456 1.809 4.105 . 0 0 "[ . 1 . 2]" 1 426 1 25 GLN HE22 1 45 GLU HA . . 4.400 3.003 2.220 4.032 . 0 0 "[ . 1 . 2]" 1 427 1 25 GLN HE22 1 45 GLU HB2 . . 4.530 3.927 3.155 4.372 . 0 0 "[ . 1 . 2]" 1 428 1 25 GLN HE22 1 45 GLU HB3 . . 4.650 2.334 1.898 2.811 . 0 0 "[ . 1 . 2]" 1 429 1 25 GLN HE22 1 48 LYS QD . . 4.810 2.947 2.041 4.441 . 0 0 "[ . 1 . 2]" 1 430 1 25 GLN QG 1 48 LYS QD . . 4.960 2.733 1.946 3.385 . 0 0 "[ . 1 . 2]" 1 431 1 25 GLN QG 1 48 LYS QG . . 4.340 3.260 2.417 4.344 0.004 18 0 "[ . 1 . 2]" 1 432 1 25 GLN QG 1 49 LEU H . . 3.820 3.416 2.957 3.743 . 0 0 "[ . 1 . 2]" 1 433 1 25 GLN QG 1 49 LEU QB . . 3.700 2.148 1.925 2.611 . 0 0 "[ . 1 . 2]" 1 434 1 25 GLN QG 1 49 LEU MD1 . . 3.290 2.110 1.784 2.812 . 0 0 "[ . 1 . 2]" 1 435 1 25 GLN QG 1 49 LEU MD2 . . 4.490 3.434 2.890 4.197 . 0 0 "[ . 1 . 2]" 1 436 1 25 GLN QG 1 49 LEU HG . . 4.980 4.180 3.857 4.624 . 0 0 "[ . 1 . 2]" 1 437 1 25 GLN QG 1 52 LEU MD1 . . 3.670 1.967 1.805 2.307 . 0 0 "[ . 1 . 2]" 1 438 1 25 GLN HG2 1 49 LEU H . . 4.410 3.782 3.225 4.415 0.005 18 0 "[ . 1 . 2]" 1 439 1 25 GLN HG2 1 49 LEU MD1 . . 3.820 2.705 1.979 3.532 . 0 0 "[ . 1 . 2]" 1 440 1 25 GLN HG2 1 52 LEU MD1 . . 4.350 2.037 1.820 2.476 . 0 0 "[ . 1 . 2]" 1 441 1 25 GLN HG3 1 49 LEU H . . 4.410 3.970 3.288 4.413 0.003 20 0 "[ . 1 . 2]" 1 442 1 25 GLN HG3 1 49 LEU MD1 . . 3.820 2.275 1.879 3.088 . 0 0 "[ . 1 . 2]" 1 443 1 25 GLN HG3 1 52 LEU MD1 . . 4.350 3.157 1.991 3.739 . 0 0 "[ . 1 . 2]" 1 444 1 26 GLY H 1 27 ASN H . . 3.470 2.894 2.704 3.093 . 0 0 "[ . 1 . 2]" 1 445 1 26 GLY H 1 28 ILE H . . 4.630 4.329 3.918 4.593 . 0 0 "[ . 1 . 2]" 1 446 1 26 GLY H 1 49 LEU MD1 . . 3.790 2.967 2.683 3.399 . 0 0 "[ . 1 . 2]" 1 447 1 26 GLY H 1 49 LEU MD2 . . 5.040 4.393 3.882 5.013 . 0 0 "[ . 1 . 2]" 1 448 1 26 GLY HA2 1 29 VAL H . . 4.200 3.715 3.411 4.039 . 0 0 "[ . 1 . 2]" 1 449 1 26 GLY HA2 1 29 VAL HB . . 3.940 3.175 2.838 3.526 . 0 0 "[ . 1 . 2]" 1 450 1 26 GLY HA2 1 29 VAL MG2 . . 4.090 3.195 2.744 3.763 . 0 0 "[ . 1 . 2]" 1 451 1 26 GLY HA2 1 30 ARG H . . 5.040 4.411 3.964 4.729 . 0 0 "[ . 1 . 2]" 1 452 1 26 GLY HA2 1 49 LEU MD1 . . 3.760 2.730 2.086 3.433 . 0 0 "[ . 1 . 2]" 1 453 1 26 GLY HA2 1 49 LEU MD2 . . 3.780 2.797 2.406 3.132 . 0 0 "[ . 1 . 2]" 1 454 1 26 GLY HA3 1 29 VAL H . . 5.100 4.847 4.634 5.101 0.001 19 0 "[ . 1 . 2]" 1 455 1 26 GLY HA3 1 29 VAL HB . . 5.060 4.692 4.422 4.998 . 0 0 "[ . 1 . 2]" 1 456 1 26 GLY HA3 1 49 LEU MD1 . . 3.970 3.418 2.712 3.973 0.003 18 0 "[ . 1 . 2]" 1 457 1 26 GLY HA3 1 49 LEU MD2 . . 4.350 3.982 3.164 4.342 . 0 0 "[ . 1 . 2]" 1 458 1 27 ASN H 1 27 ASN HB2 . . 3.610 2.638 2.229 3.577 . 0 0 "[ . 1 . 2]" 1 459 1 27 ASN H 1 27 ASN QB . . 3.060 2.461 2.206 2.727 . 0 0 "[ . 1 . 2]" 1 460 1 27 ASN H 1 27 ASN HB3 . . 3.610 3.450 2.257 3.607 . 0 0 "[ . 1 . 2]" 1 461 1 27 ASN H 1 27 ASN QD . . 4.480 3.163 1.927 3.760 . 0 0 "[ . 1 . 2]" 1 462 1 27 ASN H 1 28 ILE H . . 3.350 2.656 2.472 2.975 . 0 0 "[ . 1 . 2]" 1 463 1 27 ASN H 1 28 ILE MD . . 5.500 4.985 4.559 5.499 . 0 0 "[ . 1 . 2]" 1 464 1 27 ASN H 1 29 VAL HB . . 5.500 5.378 5.062 5.511 0.011 7 0 "[ . 1 . 2]" 1 465 1 27 ASN HA 1 29 VAL H . . 5.340 4.381 4.065 4.913 . 0 0 "[ . 1 . 2]" 1 466 1 27 ASN HA 1 30 ARG H . . 4.050 3.430 3.253 3.712 . 0 0 "[ . 1 . 2]" 1 467 1 27 ASN HA 1 30 ARG QB . . 3.580 2.754 2.452 3.428 . 0 0 "[ . 1 . 2]" 1 468 1 27 ASN HA 1 30 ARG QD . . 4.870 3.727 1.901 4.733 . 0 0 "[ . 1 . 2]" 1 469 1 27 ASN HA 1 30 ARG QG . . 4.870 4.294 2.081 4.761 . 0 0 "[ . 1 . 2]" 1 470 1 27 ASN HA 1 31 GLU H . . 4.440 4.094 3.699 4.446 0.006 19 0 "[ . 1 . 2]" 1 471 1 27 ASN QB 1 27 ASN QD . . 2.980 2.135 2.065 2.308 . 0 0 "[ . 1 . 2]" 1 472 1 27 ASN QB 1 28 ILE H . . 3.520 2.632 2.287 3.478 . 0 0 "[ . 1 . 2]" 1 473 1 27 ASN QB 1 30 ARG QB . . 5.060 4.185 3.757 5.060 0.000 9 0 "[ . 1 . 2]" 1 474 1 27 ASN HB2 1 28 ILE H . . 4.080 2.744 2.311 4.035 . 0 0 "[ . 1 . 2]" 1 475 1 27 ASN HB3 1 28 ILE H . . 4.080 3.658 3.362 4.081 0.001 9 0 "[ . 1 . 2]" 1 476 1 28 ILE H 1 28 ILE HB . . 3.100 2.537 2.346 2.645 . 0 0 "[ . 1 . 2]" 1 477 1 28 ILE H 1 28 ILE MD . . 4.380 3.431 3.126 3.847 . 0 0 "[ . 1 . 2]" 1 478 1 28 ILE H 1 28 ILE HG12 . . 3.800 3.496 3.266 3.800 . 0 0 "[ . 1 . 2]" 1 479 1 28 ILE H 1 28 ILE QG . . 3.170 2.108 1.890 2.502 . 0 0 "[ . 1 . 2]" 1 480 1 28 ILE H 1 28 ILE HG13 . . 3.800 2.127 1.902 2.539 . 0 0 "[ . 1 . 2]" 1 481 1 28 ILE H 1 28 ILE MG . . 3.910 3.760 3.713 3.772 . 0 0 "[ . 1 . 2]" 1 482 1 28 ILE H 1 29 VAL H . . 3.440 2.746 2.256 3.004 . 0 0 "[ . 1 . 2]" 1 483 1 28 ILE H 1 29 VAL HB . . 5.120 4.934 4.328 5.120 . 0 0 "[ . 1 . 2]" 1 484 1 28 ILE H 1 29 VAL MG2 . . 4.690 4.275 4.058 4.488 . 0 0 "[ . 1 . 2]" 1 485 1 28 ILE H 1 30 ARG QB . . 5.390 4.975 4.842 5.380 . 0 0 "[ . 1 . 2]" 1 486 1 28 ILE HA 1 28 ILE MD . . 4.100 3.849 3.719 3.887 . 0 0 "[ . 1 . 2]" 1 487 1 28 ILE HA 1 28 ILE HG12 . . 3.700 2.609 2.317 2.793 . 0 0 "[ . 1 . 2]" 1 488 1 28 ILE HA 1 28 ILE HG13 . . 3.700 2.857 2.683 2.961 . 0 0 "[ . 1 . 2]" 1 489 1 28 ILE HA 1 28 ILE MG . . 3.380 2.406 2.323 2.509 . 0 0 "[ . 1 . 2]" 1 490 1 28 ILE HA 1 29 VAL HA . . 5.210 4.776 4.712 4.872 . 0 0 "[ . 1 . 2]" 1 491 1 28 ILE HA 1 30 ARG H . . 5.420 4.460 4.112 4.645 . 0 0 "[ . 1 . 2]" 1 492 1 28 ILE HA 1 31 GLU H . . 4.200 3.726 3.465 3.928 . 0 0 "[ . 1 . 2]" 1 493 1 28 ILE HA 1 31 GLU QB . . 4.130 3.820 2.784 4.129 . 0 0 "[ . 1 . 2]" 1 494 1 28 ILE HA 1 31 GLU HG2 . . 5.160 2.399 2.002 4.146 . 0 0 "[ . 1 . 2]" 1 495 1 28 ILE HA 1 31 GLU HG3 . . 5.160 3.075 2.185 5.161 0.001 19 0 "[ . 1 . 2]" 1 496 1 28 ILE HA 1 32 LEU H . . 4.660 4.068 3.690 4.475 . 0 0 "[ . 1 . 2]" 1 497 1 28 ILE HA 1 32 LEU MD1 . . 5.130 4.421 4.002 4.884 . 0 0 "[ . 1 . 2]" 1 498 1 28 ILE HA 1 32 LEU HG . . 5.150 4.108 3.557 4.556 . 0 0 "[ . 1 . 2]" 1 499 1 28 ILE HB 1 28 ILE MD . . 3.250 2.325 2.232 2.430 . 0 0 "[ . 1 . 2]" 1 500 1 28 ILE HB 1 29 VAL H . . 3.490 2.602 2.228 2.852 . 0 0 "[ . 1 . 2]" 1 501 1 28 ILE HB 1 29 VAL MG2 . . 4.540 3.233 3.105 3.431 . 0 0 "[ . 1 . 2]" 1 502 1 28 ILE MD 1 29 VAL H . . 4.710 4.471 4.185 4.722 0.012 7 0 "[ . 1 . 2]" 1 503 1 28 ILE QG 1 28 ILE MG . . 3.070 2.191 2.032 2.404 . 0 0 "[ . 1 . 2]" 1 504 1 28 ILE QG 1 29 VAL H . . 4.490 4.055 3.925 4.213 . 0 0 "[ . 1 . 2]" 1 505 1 28 ILE HG12 1 28 ILE MG . . 3.560 2.235 2.058 2.488 . 0 0 "[ . 1 . 2]" 1 506 1 28 ILE HG12 1 29 VAL H . . 5.310 5.030 4.837 5.145 . 0 0 "[ . 1 . 2]" 1 507 1 28 ILE HG13 1 28 ILE MG . . 3.560 3.176 3.137 3.199 . 0 0 "[ . 1 . 2]" 1 508 1 28 ILE HG13 1 29 VAL H . . 5.310 4.280 4.133 4.539 . 0 0 "[ . 1 . 2]" 1 509 1 28 ILE MG 1 29 VAL H . . 3.570 3.412 2.943 3.570 0.000 9 0 "[ . 1 . 2]" 1 510 1 28 ILE MG 1 29 VAL HA . . 4.110 3.493 3.245 3.635 . 0 0 "[ . 1 . 2]" 1 511 1 28 ILE MG 1 31 GLU H . . 5.070 4.826 4.355 5.071 0.001 10 0 "[ . 1 . 2]" 1 512 1 28 ILE MG 1 31 GLU QB . . 5.090 4.726 3.426 5.085 . 0 0 "[ . 1 . 2]" 1 513 1 28 ILE MG 1 32 LEU H . . 4.290 3.912 3.739 4.268 . 0 0 "[ . 1 . 2]" 1 514 1 28 ILE MG 1 32 LEU HA . . 5.240 4.855 4.559 5.238 . 0 0 "[ . 1 . 2]" 1 515 1 28 ILE MG 1 32 LEU QB . . 4.680 3.859 3.523 4.522 . 0 0 "[ . 1 . 2]" 1 516 1 28 ILE MG 1 32 LEU HG . . 3.350 2.495 2.123 2.939 . 0 0 "[ . 1 . 2]" 1 517 1 28 ILE MG 1 45 GLU HA . . 5.350 4.959 4.295 5.265 . 0 0 "[ . 1 . 2]" 1 518 1 28 ILE MG 1 45 GLU HB2 . . 4.330 3.998 3.418 4.331 0.001 15 0 "[ . 1 . 2]" 1 519 1 28 ILE MG 1 45 GLU HG2 . . 4.280 3.865 3.433 4.239 . 0 0 "[ . 1 . 2]" 1 520 1 28 ILE MG 1 45 GLU HG3 . . 3.580 2.375 1.948 2.714 . 0 0 "[ . 1 . 2]" 1 521 1 29 VAL H 1 29 VAL HB . . 3.140 2.495 2.348 2.609 . 0 0 "[ . 1 . 2]" 1 522 1 29 VAL H 1 29 VAL MG1 . . 3.940 3.757 3.713 3.773 . 0 0 "[ . 1 . 2]" 1 523 1 29 VAL H 1 29 VAL MG2 . . 3.150 2.241 1.984 2.531 . 0 0 "[ . 1 . 2]" 1 524 1 29 VAL H 1 32 LEU MD1 . . 5.100 4.021 3.802 4.348 . 0 0 "[ . 1 . 2]" 1 525 1 29 VAL H 1 49 LEU MD2 . . 5.200 4.681 4.177 5.192 . 0 0 "[ . 1 . 2]" 1 526 1 29 VAL HA 1 29 VAL MG1 . . 3.230 2.417 2.322 2.531 . 0 0 "[ . 1 . 2]" 1 527 1 29 VAL HA 1 29 VAL MG2 . . 3.190 2.336 2.196 2.424 . 0 0 "[ . 1 . 2]" 1 528 1 29 VAL HA 1 32 LEU H . . 4.070 3.567 3.353 3.763 . 0 0 "[ . 1 . 2]" 1 529 1 29 VAL HA 1 32 LEU HB2 . . 4.680 2.558 2.242 3.297 . 0 0 "[ . 1 . 2]" 1 530 1 29 VAL HA 1 32 LEU QB . . 4.050 2.530 2.225 3.231 . 0 0 "[ . 1 . 2]" 1 531 1 29 VAL HA 1 32 LEU HB3 . . 4.680 4.009 3.743 4.646 . 0 0 "[ . 1 . 2]" 1 532 1 29 VAL HA 1 32 LEU MD1 . . 3.780 2.301 2.004 2.566 . 0 0 "[ . 1 . 2]" 1 533 1 29 VAL HA 1 32 LEU HG . . 4.650 3.596 2.640 4.133 . 0 0 "[ . 1 . 2]" 1 534 1 29 VAL HA 1 33 LYS H . . 4.630 4.268 3.950 4.503 . 0 0 "[ . 1 . 2]" 1 535 1 29 VAL HA 1 45 GLU HB2 . . 5.350 3.873 3.500 4.173 . 0 0 "[ . 1 . 2]" 1 536 1 29 VAL HA 1 45 GLU HB3 . . 4.580 4.140 3.777 4.506 . 0 0 "[ . 1 . 2]" 1 537 1 29 VAL HA 1 45 GLU HG3 . . 5.500 4.284 3.855 4.546 . 0 0 "[ . 1 . 2]" 1 538 1 29 VAL HB 1 30 ARG H . . 3.520 2.645 2.445 3.025 . 0 0 "[ . 1 . 2]" 1 539 1 29 VAL HB 1 49 LEU MD2 . . 3.960 3.353 2.535 3.960 0.000 18 0 "[ . 1 . 2]" 1 540 1 29 VAL MG1 1 30 ARG H . . 4.010 3.413 3.153 3.543 . 0 0 "[ . 1 . 2]" 1 541 1 29 VAL MG1 1 30 ARG HA . . 3.550 3.407 3.125 3.550 0.000 6 0 "[ . 1 . 2]" 1 542 1 29 VAL MG1 1 30 ARG QB . . 5.040 4.242 4.072 4.380 . 0 0 "[ . 1 . 2]" 1 543 1 29 VAL MG1 1 33 LYS H . . 4.730 4.064 3.607 4.343 . 0 0 "[ . 1 . 2]" 1 544 1 29 VAL MG1 1 33 LYS HE2 . . 3.770 3.069 1.946 3.774 0.004 7 0 "[ . 1 . 2]" 1 545 1 29 VAL MG1 1 33 LYS QE . . 3.270 2.349 1.834 2.985 . 0 0 "[ . 1 . 2]" 1 546 1 29 VAL MG1 1 33 LYS HE3 . . 3.770 2.645 1.914 3.704 . 0 0 "[ . 1 . 2]" 1 547 1 29 VAL MG1 1 46 VAL H . . 5.500 4.321 4.020 5.089 . 0 0 "[ . 1 . 2]" 1 548 1 29 VAL MG1 1 46 VAL HA . . 4.070 3.591 3.168 4.031 . 0 0 "[ . 1 . 2]" 1 549 1 29 VAL MG1 1 49 LEU QB . . 5.340 4.304 3.843 4.941 . 0 0 "[ . 1 . 2]" 1 550 1 29 VAL MG2 1 30 ARG H . . 4.350 3.878 3.787 4.108 . 0 0 "[ . 1 . 2]" 1 551 1 29 VAL MG2 1 32 LEU H . . 5.400 5.243 5.080 5.363 . 0 0 "[ . 1 . 2]" 1 552 1 29 VAL MG2 1 45 GLU HA . . 4.660 4.291 3.884 4.610 . 0 0 "[ . 1 . 2]" 1 553 1 29 VAL MG2 1 45 GLU HB2 . . 3.330 2.744 2.141 3.234 . 0 0 "[ . 1 . 2]" 1 554 1 29 VAL MG2 1 45 GLU HB3 . . 4.040 2.463 1.942 2.811 . 0 0 "[ . 1 . 2]" 1 555 1 29 VAL MG2 1 45 GLU HG2 . . 5.500 4.583 4.150 4.980 . 0 0 "[ . 1 . 2]" 1 556 1 29 VAL MG2 1 45 GLU HG3 . . 4.930 3.769 3.192 4.193 . 0 0 "[ . 1 . 2]" 1 557 1 29 VAL MG2 1 46 VAL HA . . 3.410 2.884 2.397 3.297 . 0 0 "[ . 1 . 2]" 1 558 1 29 VAL MG2 1 49 LEU H . . 5.320 4.396 3.928 4.775 . 0 0 "[ . 1 . 2]" 1 559 1 29 VAL MG2 1 49 LEU QB . . 3.830 2.799 2.343 3.228 . 0 0 "[ . 1 . 2]" 1 560 1 30 ARG H 1 30 ARG QB . . 3.090 2.241 2.137 2.473 . 0 0 "[ . 1 . 2]" 1 561 1 30 ARG H 1 30 ARG QD . . 5.260 4.219 3.717 4.613 . 0 0 "[ . 1 . 2]" 1 562 1 30 ARG H 1 30 ARG HG2 . . 4.690 4.264 2.139 4.635 . 0 0 "[ . 1 . 2]" 1 563 1 30 ARG H 1 30 ARG QG . . 4.020 3.811 2.116 4.039 0.019 16 0 "[ . 1 . 2]" 1 564 1 30 ARG H 1 30 ARG HG3 . . 4.690 4.372 3.351 4.608 . 0 0 "[ . 1 . 2]" 1 565 1 30 ARG H 1 31 GLU H . . 3.370 2.751 2.641 2.835 . 0 0 "[ . 1 . 2]" 1 566 1 30 ARG H 1 31 GLU HA . . 5.400 5.336 5.242 5.405 0.005 19 0 "[ . 1 . 2]" 1 567 1 30 ARG H 1 32 LEU H . . 4.600 4.067 3.907 4.358 . 0 0 "[ . 1 . 2]" 1 568 1 30 ARG HA 1 30 ARG QD . . 4.890 3.740 2.428 4.538 . 0 0 "[ . 1 . 2]" 1 569 1 30 ARG HA 1 30 ARG HG2 . . 3.960 3.360 2.513 3.766 . 0 0 "[ . 1 . 2]" 1 570 1 30 ARG HA 1 30 ARG HG3 . . 3.960 2.728 2.420 3.763 . 0 0 "[ . 1 . 2]" 1 571 1 30 ARG HA 1 33 LYS H . . 4.150 3.848 3.559 4.001 . 0 0 "[ . 1 . 2]" 1 572 1 30 ARG HA 1 33 LYS QB . . 3.640 3.414 2.817 3.632 . 0 0 "[ . 1 . 2]" 1 573 1 30 ARG HA 1 33 LYS QD . . 4.170 3.528 2.739 4.171 0.001 10 0 "[ . 1 . 2]" 1 574 1 30 ARG HA 1 34 ALA H . . 4.720 4.481 4.168 4.697 . 0 0 "[ . 1 . 2]" 1 575 1 30 ARG QB 1 31 GLU H . . 3.250 2.493 2.273 3.251 0.001 9 0 "[ . 1 . 2]" 1 576 1 30 ARG QG 1 31 GLU H . . 4.140 3.385 1.785 4.012 . 0 0 "[ . 1 . 2]" 1 577 1 30 ARG QG 1 31 GLU HA . . 4.770 3.681 2.971 4.385 . 0 0 "[ . 1 . 2]" 1 578 1 30 ARG HG2 1 31 GLU H . . 4.710 3.667 1.900 4.705 . 0 0 "[ . 1 . 2]" 1 579 1 30 ARG HG3 1 31 GLU H . . 4.710 4.193 1.906 4.720 0.010 19 0 "[ . 1 . 2]" 1 580 1 31 GLU H 1 31 GLU QB . . 3.040 2.490 2.259 2.613 . 0 0 "[ . 1 . 2]" 1 581 1 31 GLU H 1 31 GLU HG2 . . 3.990 2.426 1.900 3.990 . 0 0 "[ . 1 . 2]" 1 582 1 31 GLU H 1 31 GLU QG . . 3.430 2.163 1.886 3.360 . 0 0 "[ . 1 . 2]" 1 583 1 31 GLU H 1 31 GLU HG3 . . 3.990 3.065 1.999 3.616 . 0 0 "[ . 1 . 2]" 1 584 1 31 GLU H 1 32 LEU HA . . 5.280 5.249 5.130 5.304 0.024 19 0 "[ . 1 . 2]" 1 585 1 31 GLU H 1 34 ALA MB . . 5.220 4.548 4.085 4.804 . 0 0 "[ . 1 . 2]" 1 586 1 31 GLU HA 1 31 GLU QG . . 3.720 3.252 2.279 3.440 . 0 0 "[ . 1 . 2]" 1 587 1 31 GLU HA 1 33 LYS H . . 4.850 4.533 4.201 4.851 0.001 16 0 "[ . 1 . 2]" 1 588 1 31 GLU HA 1 34 ALA MB . . 3.150 2.366 1.984 2.833 . 0 0 "[ . 1 . 2]" 1 589 1 31 GLU HA 1 35 GLN H . . 4.630 4.174 3.915 4.552 . 0 0 "[ . 1 . 2]" 1 590 1 31 GLU HA 1 35 GLN HE21 . . 5.220 4.110 3.223 4.899 . 0 0 "[ . 1 . 2]" 1 591 1 31 GLU HA 1 35 GLN QG . . 4.850 4.010 3.371 4.779 . 0 0 "[ . 1 . 2]" 1 592 1 31 GLU QB 1 32 LEU H . . 3.470 3.264 2.454 3.471 0.001 10 0 "[ . 1 . 2]" 1 593 1 31 GLU QB 1 32 LEU MD2 . . 5.250 4.883 3.119 5.254 0.004 10 0 "[ . 1 . 2]" 1 594 1 31 GLU QB 1 34 ALA H . . 5.150 4.769 4.560 4.915 . 0 0 "[ . 1 . 2]" 1 595 1 31 GLU QB 1 35 GLN HE21 . . 4.450 2.692 1.933 3.697 . 0 0 "[ . 1 . 2]" 1 596 1 31 GLU QB 1 35 GLN HE22 . . 4.890 3.522 2.459 4.784 . 0 0 "[ . 1 . 2]" 1 597 1 31 GLU QG 1 32 LEU H . . 4.520 2.317 1.894 4.529 0.009 19 0 "[ . 1 . 2]" 1 598 1 31 GLU QG 1 32 LEU MD2 . . 4.790 4.013 3.540 4.796 0.006 19 0 "[ . 1 . 2]" 1 599 1 31 GLU QG 1 34 ALA MB . . 5.340 4.746 4.259 5.035 . 0 0 "[ . 1 . 2]" 1 600 1 31 GLU QG 1 35 GLN HE21 . . 4.350 3.239 2.185 4.272 . 0 0 "[ . 1 . 2]" 1 601 1 31 GLU HG2 1 35 GLN HE21 . . 5.060 4.471 3.856 4.987 . 0 0 "[ . 1 . 2]" 1 602 1 31 GLU HG3 1 35 GLN HE21 . . 5.060 3.407 2.197 4.797 . 0 0 "[ . 1 . 2]" 1 603 1 32 LEU H 1 32 LEU HB2 . . 3.790 2.301 2.197 2.692 . 0 0 "[ . 1 . 2]" 1 604 1 32 LEU H 1 32 LEU QB . . 3.320 2.270 2.176 2.618 . 0 0 "[ . 1 . 2]" 1 605 1 32 LEU H 1 32 LEU HB3 . . 3.790 3.531 3.503 3.588 . 0 0 "[ . 1 . 2]" 1 606 1 32 LEU H 1 32 LEU MD1 . . 3.940 3.638 3.425 3.770 . 0 0 "[ . 1 . 2]" 1 607 1 32 LEU H 1 32 LEU MD2 . . 4.090 3.716 2.988 3.937 . 0 0 "[ . 1 . 2]" 1 608 1 32 LEU H 1 32 LEU HG . . 2.960 2.653 1.899 2.857 . 0 0 "[ . 1 . 2]" 1 609 1 32 LEU H 1 33 LYS H . . 3.380 2.892 2.649 3.023 . 0 0 "[ . 1 . 2]" 1 610 1 32 LEU H 1 33 LYS QG . . 4.990 4.639 4.226 4.962 . 0 0 "[ . 1 . 2]" 1 611 1 32 LEU H 1 34 ALA H . . 4.560 4.108 3.759 4.310 . 0 0 "[ . 1 . 2]" 1 612 1 32 LEU H 1 34 ALA MB . . 5.220 4.685 4.339 4.869 . 0 0 "[ . 1 . 2]" 1 613 1 32 LEU H 1 37 ALA MB . . 5.220 4.815 4.300 5.065 . 0 0 "[ . 1 . 2]" 1 614 1 32 LEU HA 1 32 LEU MD2 . . 3.050 2.047 1.972 2.325 . 0 0 "[ . 1 . 2]" 1 615 1 32 LEU HA 1 32 LEU HG . . 3.900 2.809 2.659 3.284 . 0 0 "[ . 1 . 2]" 1 616 1 32 LEU HA 1 35 GLN H . . 4.400 3.590 3.249 3.785 . 0 0 "[ . 1 . 2]" 1 617 1 32 LEU HA 1 35 GLN QG . . 4.190 3.327 1.986 4.188 . 0 0 "[ . 1 . 2]" 1 618 1 32 LEU HA 1 37 ALA HA . . 5.500 5.223 4.499 5.501 0.001 15 0 "[ . 1 . 2]" 1 619 1 32 LEU HA 1 37 ALA MB . . 3.640 2.653 1.988 2.889 . 0 0 "[ . 1 . 2]" 1 620 1 32 LEU QB 1 32 LEU MD1 . . 3.130 2.060 2.013 2.100 . 0 0 "[ . 1 . 2]" 1 621 1 32 LEU QB 1 32 LEU MD2 . . 3.170 2.262 2.164 2.302 . 0 0 "[ . 1 . 2]" 1 622 1 32 LEU QB 1 33 LYS H . . 3.940 2.437 2.148 2.652 . 0 0 "[ . 1 . 2]" 1 623 1 32 LEU QB 1 37 ALA MB . . 3.570 2.564 1.932 3.060 . 0 0 "[ . 1 . 2]" 1 624 1 32 LEU QB 1 42 VAL H . . 5.340 4.768 4.217 5.180 . 0 0 "[ . 1 . 2]" 1 625 1 32 LEU QB 1 42 VAL HA . . 3.910 3.347 2.491 3.748 . 0 0 "[ . 1 . 2]" 1 626 1 32 LEU QB 1 42 VAL MG1 . . 4.150 2.675 2.247 3.115 . 0 0 "[ . 1 . 2]" 1 627 1 32 LEU QB 1 42 VAL MG2 . . 3.480 1.970 1.666 2.147 . 0 0 "[ . 1 . 2]" 1 628 1 32 LEU HB2 1 42 VAL MG2 . . 4.000 3.241 1.978 3.502 . 0 0 "[ . 1 . 2]" 1 629 1 32 LEU HB3 1 42 VAL MG2 . . 4.000 1.992 1.772 2.170 . 0 0 "[ . 1 . 2]" 1 630 1 32 LEU MD1 1 33 LYS H . . 4.870 4.350 3.932 4.565 . 0 0 "[ . 1 . 2]" 1 631 1 32 LEU MD1 1 42 VAL H . . 5.500 4.266 3.689 4.819 . 0 0 "[ . 1 . 2]" 1 632 1 32 LEU MD1 1 42 VAL HA . . 3.980 2.146 1.838 2.454 . 0 0 "[ . 1 . 2]" 1 633 1 32 LEU MD1 1 45 GLU H . . 4.780 3.873 3.183 4.166 . 0 0 "[ . 1 . 2]" 1 634 1 32 LEU MD1 1 45 GLU HA . . 5.250 4.723 4.170 4.907 . 0 0 "[ . 1 . 2]" 1 635 1 32 LEU MD1 1 45 GLU HB3 . . 4.090 3.230 2.606 3.477 . 0 0 "[ . 1 . 2]" 1 636 1 32 LEU MD1 1 45 GLU HG2 . . 3.740 2.677 2.338 2.971 . 0 0 "[ . 1 . 2]" 1 637 1 32 LEU MD1 1 45 GLU HG3 . . 3.070 1.998 1.802 2.256 . 0 0 "[ . 1 . 2]" 1 638 1 32 LEU MD2 1 33 LYS H . . 5.300 4.567 4.473 4.689 . 0 0 "[ . 1 . 2]" 1 639 1 32 LEU MD2 1 35 GLN H . . 5.230 5.027 4.813 5.214 . 0 0 "[ . 1 . 2]" 1 640 1 32 LEU MD2 1 35 GLN QB . . 5.340 4.134 3.439 5.228 . 0 0 "[ . 1 . 2]" 1 641 1 32 LEU MD2 1 35 GLN HE21 . . 5.170 3.848 2.728 4.526 . 0 0 "[ . 1 . 2]" 1 642 1 32 LEU MD2 1 35 GLN HE22 . . 4.950 4.082 3.158 4.952 0.002 16 0 "[ . 1 . 2]" 1 643 1 32 LEU MD2 1 35 GLN QG . . 5.280 4.328 2.948 5.184 . 0 0 "[ . 1 . 2]" 1 644 1 32 LEU MD2 1 37 ALA H . . 5.280 4.299 4.118 4.576 . 0 0 "[ . 1 . 2]" 1 645 1 32 LEU MD2 1 37 ALA HA . . 4.600 4.292 3.830 4.596 . 0 0 "[ . 1 . 2]" 1 646 1 32 LEU MD2 1 37 ALA MB . . 2.910 2.083 1.802 2.241 . 0 0 "[ . 1 . 2]" 1 647 1 32 LEU MD2 1 42 VAL H . . 4.640 4.279 3.980 4.593 . 0 0 "[ . 1 . 2]" 1 648 1 32 LEU MD2 1 42 VAL HA . . 4.320 3.348 2.904 3.643 . 0 0 "[ . 1 . 2]" 1 649 1 32 LEU MD2 1 42 VAL HB . . 5.290 5.143 4.709 5.294 0.004 19 0 "[ . 1 . 2]" 1 650 1 32 LEU MD2 1 45 GLU HG2 . . 5.500 4.219 3.067 4.635 . 0 0 "[ . 1 . 2]" 1 651 1 32 LEU HG 1 45 GLU HG2 . . 5.500 5.325 4.713 5.511 0.011 7 0 "[ . 1 . 2]" 1 652 1 32 LEU HG 1 45 GLU HG3 . . 4.310 4.134 3.493 4.310 . 0 0 "[ . 1 . 2]" 1 653 1 33 LYS H 1 33 LYS QB . . 3.010 2.415 2.333 2.690 . 0 0 "[ . 1 . 2]" 1 654 1 33 LYS H 1 33 LYS QD . . 4.570 3.793 3.268 4.163 . 0 0 "[ . 1 . 2]" 1 655 1 33 LYS H 1 33 LYS HG2 . . 3.850 3.456 2.469 3.852 0.002 16 0 "[ . 1 . 2]" 1 656 1 33 LYS H 1 33 LYS QG . . 3.200 2.296 2.006 2.429 . 0 0 "[ . 1 . 2]" 1 657 1 33 LYS H 1 33 LYS HG3 . . 3.850 2.337 2.039 2.467 . 0 0 "[ . 1 . 2]" 1 658 1 33 LYS H 1 34 ALA H . . 3.250 2.647 2.481 2.832 . 0 0 "[ . 1 . 2]" 1 659 1 33 LYS H 1 42 VAL MG1 . . 5.210 3.893 3.492 4.214 . 0 0 "[ . 1 . 2]" 1 660 1 33 LYS H 1 42 VAL MG2 . . 5.310 3.871 3.404 4.279 . 0 0 "[ . 1 . 2]" 1 661 1 33 LYS HA 1 33 LYS QD . . 4.180 3.966 3.681 4.074 . 0 0 "[ . 1 . 2]" 1 662 1 33 LYS HA 1 33 LYS QE . . 4.920 4.668 4.235 4.891 . 0 0 "[ . 1 . 2]" 1 663 1 33 LYS HA 1 33 LYS HG2 . . 3.670 2.571 2.377 2.813 . 0 0 "[ . 1 . 2]" 1 664 1 33 LYS HA 1 33 LYS HG3 . . 3.670 3.032 2.594 3.614 . 0 0 "[ . 1 . 2]" 1 665 1 33 LYS HA 1 35 GLN H . . 5.060 4.097 3.590 4.386 . 0 0 "[ . 1 . 2]" 1 666 1 33 LYS HA 1 42 VAL MG1 . . 4.630 4.069 3.552 4.614 . 0 0 "[ . 1 . 2]" 1 667 1 33 LYS HA 1 42 VAL MG2 . . 4.120 3.338 3.012 4.120 0.000 19 0 "[ . 1 . 2]" 1 668 1 33 LYS QB 1 33 LYS QD . . 3.140 2.111 2.008 2.199 . 0 0 "[ . 1 . 2]" 1 669 1 33 LYS QB 1 33 LYS QE . . 4.520 3.508 2.320 3.669 . 0 0 "[ . 1 . 2]" 1 670 1 33 LYS QB 1 34 ALA H . . 3.310 2.638 2.425 3.101 . 0 0 "[ . 1 . 2]" 1 671 1 33 LYS QB 1 34 ALA HA . . 4.830 3.894 3.845 4.040 . 0 0 "[ . 1 . 2]" 1 672 1 33 LYS QB 1 35 GLN H . . 4.970 4.579 4.423 4.824 . 0 0 "[ . 1 . 2]" 1 673 1 33 LYS QE 1 33 LYS QG . . 3.270 2.180 2.072 2.328 . 0 0 "[ . 1 . 2]" 1 674 1 33 LYS QE 1 46 VAL QG . . 3.810 3.263 2.669 3.785 . 0 0 "[ . 1 . 2]" 1 675 1 33 LYS HE2 1 42 VAL MG1 . . 3.900 3.001 2.227 3.796 . 0 0 "[ . 1 . 2]" 1 676 1 33 LYS HE3 1 42 VAL MG1 . . 3.900 3.578 2.347 3.900 0.000 20 0 "[ . 1 . 2]" 1 677 1 33 LYS QG 1 34 ALA H . . 4.930 4.119 3.867 4.303 . 0 0 "[ . 1 . 2]" 1 678 1 33 LYS QG 1 42 VAL MG1 . . 3.500 2.547 2.189 3.140 . 0 0 "[ . 1 . 2]" 1 679 1 34 ALA H 1 34 ALA MB . . 2.850 2.173 2.026 2.280 . 0 0 "[ . 1 . 2]" 1 680 1 34 ALA H 1 35 GLN H . . 3.270 2.594 2.212 2.749 . 0 0 "[ . 1 . 2]" 1 681 1 34 ALA H 1 35 GLN HA . . 5.360 5.229 4.911 5.352 . 0 0 "[ . 1 . 2]" 1 682 1 34 ALA H 1 35 GLN QG . . 4.810 4.166 3.766 4.510 . 0 0 "[ . 1 . 2]" 1 683 1 34 ALA MB 1 35 GLN H . . 3.530 2.814 2.530 3.228 . 0 0 "[ . 1 . 2]" 1 684 1 34 ALA MB 1 35 GLN QB . . 4.610 4.082 3.678 4.404 . 0 0 "[ . 1 . 2]" 1 685 1 34 ALA MB 1 35 GLN HE21 . . 4.980 4.526 3.904 4.981 0.001 15 0 "[ . 1 . 2]" 1 686 1 34 ALA MB 1 35 GLN QG . . 4.240 3.383 2.862 4.181 . 0 0 "[ . 1 . 2]" 1 687 1 35 GLN H 1 35 GLN HB2 . . 3.910 2.887 2.402 3.747 . 0 0 "[ . 1 . 2]" 1 688 1 35 GLN H 1 35 GLN QB . . 3.400 2.516 2.370 2.794 . 0 0 "[ . 1 . 2]" 1 689 1 35 GLN H 1 35 GLN HB3 . . 3.910 3.335 2.642 3.737 . 0 0 "[ . 1 . 2]" 1 690 1 35 GLN H 1 35 GLN QG . . 3.590 2.412 1.916 3.006 . 0 0 "[ . 1 . 2]" 1 691 1 35 GLN H 1 36 LYS H . . 3.520 2.742 2.363 2.901 . 0 0 "[ . 1 . 2]" 1 692 1 35 GLN H 1 36 LYS HA . . 5.100 4.684 4.385 4.861 . 0 0 "[ . 1 . 2]" 1 693 1 35 GLN H 1 36 LYS QG . . 5.500 5.000 4.496 5.429 . 0 0 "[ . 1 . 2]" 1 694 1 35 GLN H 1 37 ALA MB . . 5.160 4.132 3.934 4.256 . 0 0 "[ . 1 . 2]" 1 695 1 35 GLN HA 1 35 GLN QG . . 3.530 2.722 2.263 3.339 . 0 0 "[ . 1 . 2]" 1 696 1 35 GLN HA 1 36 LYS QG . . 4.690 3.912 2.879 4.575 . 0 0 "[ . 1 . 2]" 1 697 1 35 GLN QB 1 37 ALA H . . 4.840 3.649 2.965 4.469 . 0 0 "[ . 1 . 2]" 1 698 1 35 GLN QB 1 37 ALA HA . . 5.340 4.358 3.916 4.975 . 0 0 "[ . 1 . 2]" 1 699 1 35 GLN QB 1 37 ALA MB . . 4.360 3.386 2.923 4.297 . 0 0 "[ . 1 . 2]" 1 700 1 35 GLN QG 1 36 LYS H . . 4.950 4.157 3.385 4.520 . 0 0 "[ . 1 . 2]" 1 701 1 35 GLN QG 1 37 ALA H . . 5.230 4.209 2.393 5.222 . 0 0 "[ . 1 . 2]" 1 702 1 35 GLN QG 1 37 ALA MB . . 4.760 3.867 2.118 4.763 0.003 16 0 "[ . 1 . 2]" 1 703 1 36 LYS H 1 36 LYS HD2 . . 5.340 4.634 2.332 5.367 0.027 15 0 "[ . 1 . 2]" 1 704 1 36 LYS H 1 36 LYS QD . . 4.610 4.047 2.311 4.606 . 0 0 "[ . 1 . 2]" 1 705 1 36 LYS H 1 36 LYS HD3 . . 5.340 4.673 3.442 5.342 0.002 5 0 "[ . 1 . 2]" 1 706 1 36 LYS H 1 36 LYS QG . . 3.610 2.728 2.447 3.278 . 0 0 "[ . 1 . 2]" 1 707 1 36 LYS H 1 37 ALA H . . 3.720 2.958 2.837 3.119 . 0 0 "[ . 1 . 2]" 1 708 1 36 LYS H 1 37 ALA MB . . 5.100 4.541 4.457 4.631 . 0 0 "[ . 1 . 2]" 1 709 1 36 LYS HA 1 36 LYS QD . . 4.590 3.739 2.045 4.430 . 0 0 "[ . 1 . 2]" 1 710 1 36 LYS HA 1 36 LYS QG . . 3.490 2.685 2.331 3.343 . 0 0 "[ . 1 . 2]" 1 711 1 36 LYS HA 1 37 ALA HA . . 5.300 4.725 4.669 4.846 . 0 0 "[ . 1 . 2]" 1 712 1 36 LYS QE 1 36 LYS QG . . 3.450 2.231 2.061 2.490 . 0 0 "[ . 1 . 2]" 1 713 1 37 ALA H 1 37 ALA MB . . 3.210 2.174 2.026 2.244 . 0 0 "[ . 1 . 2]" 1 714 1 37 ALA H 1 38 ASP H . . 4.990 4.630 4.597 4.648 . 0 0 "[ . 1 . 2]" 1 715 1 37 ALA H 1 42 VAL MG2 . . 4.500 3.742 3.179 4.057 . 0 0 "[ . 1 . 2]" 1 716 1 37 ALA HA 1 38 ASP H . . 3.040 2.371 2.228 2.503 . 0 0 "[ . 1 . 2]" 1 717 1 37 ALA HA 1 38 ASP HB2 . . 4.870 4.478 4.364 4.645 . 0 0 "[ . 1 . 2]" 1 718 1 37 ALA HA 1 38 ASP HB3 . . 5.500 5.112 4.811 5.305 . 0 0 "[ . 1 . 2]" 1 719 1 37 ALA HA 1 41 GLU QB . . 5.500 4.684 4.078 5.155 . 0 0 "[ . 1 . 2]" 1 720 1 37 ALA HA 1 42 VAL MG2 . . 4.520 4.264 3.970 4.522 0.002 20 0 "[ . 1 . 2]" 1 721 1 37 ALA MB 1 38 ASP H . . 3.250 2.506 2.257 2.798 . 0 0 "[ . 1 . 2]" 1 722 1 37 ALA MB 1 38 ASP HA . . 4.990 4.361 4.259 4.472 . 0 0 "[ . 1 . 2]" 1 723 1 37 ALA MB 1 38 ASP HB2 . . 4.770 4.456 4.237 4.726 . 0 0 "[ . 1 . 2]" 1 724 1 37 ALA MB 1 38 ASP HB3 . . 4.820 4.283 4.069 4.515 . 0 0 "[ . 1 . 2]" 1 725 1 37 ALA MB 1 41 GLU QB . . 3.690 2.970 2.461 3.363 . 0 0 "[ . 1 . 2]" 1 726 1 37 ALA MB 1 41 GLU QG . . 5.020 4.026 3.025 4.723 . 0 0 "[ . 1 . 2]" 1 727 1 37 ALA MB 1 42 VAL H . . 4.490 3.726 3.349 4.130 . 0 0 "[ . 1 . 2]" 1 728 1 37 ALA MB 1 42 VAL HA . . 4.880 4.097 3.346 4.478 . 0 0 "[ . 1 . 2]" 1 729 1 37 ALA MB 1 42 VAL MG2 . . 2.950 2.050 1.833 2.313 . 0 0 "[ . 1 . 2]" 1 730 1 38 ASP H 1 38 ASP HB2 . . 3.270 2.341 2.181 2.551 . 0 0 "[ . 1 . 2]" 1 731 1 38 ASP H 1 38 ASP HB3 . . 3.390 2.756 2.555 2.964 . 0 0 "[ . 1 . 2]" 1 732 1 38 ASP H 1 39 LYS H . . 4.920 4.562 4.480 4.613 . 0 0 "[ . 1 . 2]" 1 733 1 38 ASP H 1 41 GLU QB . . 4.300 3.024 2.486 3.403 . 0 0 "[ . 1 . 2]" 1 734 1 38 ASP H 1 42 VAL MG2 . . 4.860 3.911 3.577 4.358 . 0 0 "[ . 1 . 2]" 1 735 1 38 ASP HA 1 39 LYS H . . 3.020 2.166 2.138 2.205 . 0 0 "[ . 1 . 2]" 1 736 1 38 ASP HA 1 39 LYS HA . . 4.910 4.339 4.317 4.378 . 0 0 "[ . 1 . 2]" 1 737 1 38 ASP HA 1 39 LYS QB . . 4.730 4.292 4.053 4.512 . 0 0 "[ . 1 . 2]" 1 738 1 38 ASP HA 1 40 ASN H . . 5.150 4.197 3.707 4.559 . 0 0 "[ . 1 . 2]" 1 739 1 38 ASP HB2 1 39 LYS H . . 4.690 4.300 4.110 4.483 . 0 0 "[ . 1 . 2]" 1 740 1 38 ASP HB2 1 41 GLU H . . 4.670 4.052 3.801 4.349 . 0 0 "[ . 1 . 2]" 1 741 1 38 ASP HB2 1 41 GLU QB . . 4.170 3.569 2.765 4.051 . 0 0 "[ . 1 . 2]" 1 742 1 38 ASP HB2 1 41 GLU HG2 . . 4.800 4.042 3.062 4.787 . 0 0 "[ . 1 . 2]" 1 743 1 38 ASP HB2 1 41 GLU QG . . 4.160 3.240 2.769 4.159 . 0 0 "[ . 1 . 2]" 1 744 1 38 ASP HB2 1 41 GLU HG3 . . 4.800 3.489 2.902 4.795 . 0 0 "[ . 1 . 2]" 1 745 1 38 ASP HB3 1 39 LYS H . . 4.860 3.991 3.705 4.189 . 0 0 "[ . 1 . 2]" 1 746 1 38 ASP HB3 1 40 ASN QB . . 4.480 3.704 3.147 4.487 0.007 7 0 "[ . 1 . 2]" 1 747 1 38 ASP HB3 1 41 GLU H . . 3.940 2.343 2.046 2.685 . 0 0 "[ . 1 . 2]" 1 748 1 38 ASP HB3 1 41 GLU HA . . 5.500 4.361 3.885 4.627 . 0 0 "[ . 1 . 2]" 1 749 1 38 ASP HB3 1 41 GLU QB . . 3.700 2.340 1.837 2.880 . 0 0 "[ . 1 . 2]" 1 750 1 38 ASP HB3 1 41 GLU HG2 . . 4.490 2.878 2.003 4.161 . 0 0 "[ . 1 . 2]" 1 751 1 38 ASP HB3 1 41 GLU HG3 . . 4.490 2.668 2.004 4.338 . 0 0 "[ . 1 . 2]" 1 752 1 38 ASP HB3 1 42 VAL H . . 4.930 4.069 3.818 4.442 . 0 0 "[ . 1 . 2]" 1 753 1 39 LYS H 1 39 LYS QB . . 3.410 2.346 2.128 2.603 . 0 0 "[ . 1 . 2]" 1 754 1 39 LYS H 1 39 LYS QD . . 4.730 3.794 1.853 4.533 . 0 0 "[ . 1 . 2]" 1 755 1 39 LYS H 1 39 LYS QG . . 4.140 2.839 1.882 3.989 . 0 0 "[ . 1 . 2]" 1 756 1 39 LYS H 1 40 ASN H . . 4.350 2.955 2.769 3.257 . 0 0 "[ . 1 . 2]" 1 757 1 39 LYS H 1 42 VAL MG2 . . 5.500 4.332 4.049 4.698 . 0 0 "[ . 1 . 2]" 1 758 1 39 LYS HA 1 39 LYS QD . . 4.440 3.396 1.993 4.268 . 0 0 "[ . 1 . 2]" 1 759 1 39 LYS HA 1 39 LYS QG . . 4.020 2.541 2.167 3.436 . 0 0 "[ . 1 . 2]" 1 760 1 39 LYS HA 1 42 VAL H . . 3.900 3.673 3.513 3.785 . 0 0 "[ . 1 . 2]" 1 761 1 39 LYS HA 1 42 VAL HB . . 3.290 2.994 2.704 3.271 . 0 0 "[ . 1 . 2]" 1 762 1 39 LYS QB 1 39 LYS QD . . 3.340 2.145 2.027 2.351 . 0 0 "[ . 1 . 2]" 1 763 1 39 LYS QB 1 40 ASN H . . 4.510 2.560 1.938 3.560 . 0 0 "[ . 1 . 2]" 1 764 1 39 LYS QB 1 42 VAL H . . 5.500 5.041 4.804 5.207 . 0 0 "[ . 1 . 2]" 1 765 1 39 LYS QE 1 39 LYS QG . . 3.500 2.186 2.031 2.347 . 0 0 "[ . 1 . 2]" 1 766 1 39 LYS QG 1 40 ASN H . . 4.460 3.785 1.968 4.434 . 0 0 "[ . 1 . 2]" 1 767 1 40 ASN H 1 40 ASN HB2 . . 4.100 2.695 2.312 3.542 . 0 0 "[ . 1 . 2]" 1 768 1 40 ASN H 1 40 ASN QB . . 3.480 2.406 2.141 2.780 . 0 0 "[ . 1 . 2]" 1 769 1 40 ASN H 1 40 ASN HB3 . . 4.100 3.013 2.190 3.590 . 0 0 "[ . 1 . 2]" 1 770 1 40 ASN H 1 40 ASN QD . . 4.850 3.860 2.235 4.731 . 0 0 "[ . 1 . 2]" 1 771 1 40 ASN H 1 41 GLU H . . 3.640 2.772 2.494 3.066 . 0 0 "[ . 1 . 2]" 1 772 1 40 ASN H 1 41 GLU QB . . 5.070 4.611 4.366 4.948 . 0 0 "[ . 1 . 2]" 1 773 1 40 ASN H 1 42 VAL H . . 4.850 4.285 4.000 4.568 . 0 0 "[ . 1 . 2]" 1 774 1 40 ASN HA 1 42 VAL H . . 4.990 4.543 3.997 4.890 . 0 0 "[ . 1 . 2]" 1 775 1 40 ASN HA 1 43 ALA H . . 3.990 3.642 3.305 3.870 . 0 0 "[ . 1 . 2]" 1 776 1 40 ASN HA 1 43 ALA MB . . 3.220 2.567 2.323 2.776 . 0 0 "[ . 1 . 2]" 1 777 1 40 ASN HA 1 44 ALA H . . 4.960 4.317 3.774 4.768 . 0 0 "[ . 1 . 2]" 1 778 1 40 ASN QB 1 41 GLU H . . 3.840 2.504 2.264 3.117 . 0 0 "[ . 1 . 2]" 1 779 1 40 ASN QB 1 41 GLU HA . . 5.340 4.007 3.750 4.475 . 0 0 "[ . 1 . 2]" 1 780 1 40 ASN QB 1 41 GLU QB . . 4.960 4.348 3.940 4.834 . 0 0 "[ . 1 . 2]" 1 781 1 40 ASN QB 1 43 ALA MB . . 4.470 4.205 3.889 4.454 . 0 0 "[ . 1 . 2]" 1 782 1 40 ASN HB2 1 41 GLU H . . 4.620 3.146 2.286 4.115 . 0 0 "[ . 1 . 2]" 1 783 1 40 ASN HB2 1 43 ALA MB . . 5.230 4.836 4.407 5.232 0.002 15 0 "[ . 1 . 2]" 1 784 1 40 ASN HB3 1 41 GLU H . . 4.620 3.144 2.301 3.973 . 0 0 "[ . 1 . 2]" 1 785 1 40 ASN HB3 1 43 ALA MB . . 5.230 4.713 4.110 5.228 . 0 0 "[ . 1 . 2]" 1 786 1 41 GLU H 1 41 GLU QB . . 3.190 2.330 2.125 2.536 . 0 0 "[ . 1 . 2]" 1 787 1 41 GLU H 1 41 GLU QG . . 4.030 2.561 2.010 4.031 0.001 3 0 "[ . 1 . 2]" 1 788 1 41 GLU H 1 42 VAL H . . 3.250 2.796 2.605 2.939 . 0 0 "[ . 1 . 2]" 1 789 1 41 GLU H 1 42 VAL HB . . 5.100 5.013 4.767 5.096 . 0 0 "[ . 1 . 2]" 1 790 1 41 GLU H 1 42 VAL MG2 . . 4.690 4.230 3.941 4.562 . 0 0 "[ . 1 . 2]" 1 791 1 41 GLU H 1 43 ALA MB . . 5.090 4.739 4.590 4.917 . 0 0 "[ . 1 . 2]" 1 792 1 41 GLU HA 1 41 GLU QG . . 3.590 2.623 2.224 3.174 . 0 0 "[ . 1 . 2]" 1 793 1 41 GLU HA 1 44 ALA H . . 4.340 3.909 3.648 4.117 . 0 0 "[ . 1 . 2]" 1 794 1 41 GLU QB 1 42 VAL H . . 3.280 2.495 2.284 2.861 . 0 0 "[ . 1 . 2]" 1 795 1 41 GLU QB 1 42 VAL HA . . 5.070 3.854 3.757 4.278 . 0 0 "[ . 1 . 2]" 1 796 1 41 GLU QB 1 42 VAL MG2 . . 3.930 3.124 2.896 3.271 . 0 0 "[ . 1 . 2]" 1 797 1 41 GLU QB 1 44 ALA H . . 5.500 5.174 4.891 5.478 . 0 0 "[ . 1 . 2]" 1 798 1 41 GLU QB 1 44 ALA MB . . 4.890 4.459 4.150 4.806 . 0 0 "[ . 1 . 2]" 1 799 1 41 GLU QG 1 42 VAL H . . 4.530 4.128 3.884 4.334 . 0 0 "[ . 1 . 2]" 1 800 1 42 VAL H 1 42 VAL HB . . 3.140 2.555 2.427 2.606 . 0 0 "[ . 1 . 2]" 1 801 1 42 VAL H 1 42 VAL MG2 . . 2.940 2.145 1.948 2.326 . 0 0 "[ . 1 . 2]" 1 802 1 42 VAL H 1 43 ALA MB . . 4.380 4.248 4.031 4.380 . 0 0 "[ . 1 . 2]" 1 803 1 42 VAL H 1 46 VAL QG . . 5.420 5.234 4.989 5.427 0.007 15 0 "[ . 1 . 2]" 1 804 1 42 VAL HA 1 42 VAL MG1 . . 3.450 2.396 2.296 2.469 . 0 0 "[ . 1 . 2]" 1 805 1 42 VAL HA 1 42 VAL MG2 . . 3.180 2.355 2.262 2.486 . 0 0 "[ . 1 . 2]" 1 806 1 42 VAL HA 1 45 GLU H . . 4.430 3.626 3.402 3.852 . 0 0 "[ . 1 . 2]" 1 807 1 42 VAL HA 1 45 GLU HB2 . . 4.220 3.376 3.018 3.821 . 0 0 "[ . 1 . 2]" 1 808 1 42 VAL HA 1 45 GLU HG2 . . 5.070 3.580 2.815 4.185 . 0 0 "[ . 1 . 2]" 1 809 1 42 VAL HA 1 45 GLU HG3 . . 5.500 4.128 3.628 4.656 . 0 0 "[ . 1 . 2]" 1 810 1 42 VAL HB 1 43 ALA H . . 3.310 2.407 2.144 2.692 . 0 0 "[ . 1 . 2]" 1 811 1 42 VAL HB 1 43 ALA HA . . 4.850 4.144 4.042 4.368 . 0 0 "[ . 1 . 2]" 1 812 1 42 VAL HB 1 46 VAL QG . . 5.060 3.818 3.492 4.191 . 0 0 "[ . 1 . 2]" 1 813 1 42 VAL MG1 1 43 ALA H . . 3.850 3.324 3.152 3.563 . 0 0 "[ . 1 . 2]" 1 814 1 42 VAL MG1 1 43 ALA HA . . 3.650 3.495 3.292 3.645 . 0 0 "[ . 1 . 2]" 1 815 1 42 VAL MG1 1 45 GLU H . . 4.620 4.382 4.050 4.605 . 0 0 "[ . 1 . 2]" 1 816 1 42 VAL MG1 1 45 GLU HG2 . . 5.500 4.822 4.195 5.327 . 0 0 "[ . 1 . 2]" 1 817 1 42 VAL MG1 1 46 VAL H . . 5.500 3.529 3.185 3.936 . 0 0 "[ . 1 . 2]" 1 818 1 43 ALA H 1 43 ALA MB . . 2.920 2.095 2.029 2.240 . 0 0 "[ . 1 . 2]" 1 819 1 43 ALA H 1 44 ALA H . . 3.650 2.979 2.838 3.195 . 0 0 "[ . 1 . 2]" 1 820 1 43 ALA H 1 45 GLU H . . 5.040 4.574 4.188 4.868 . 0 0 "[ . 1 . 2]" 1 821 1 43 ALA H 1 46 VAL QG . . 4.470 3.766 3.405 4.068 . 0 0 "[ . 1 . 2]" 1 822 1 43 ALA HA 1 45 GLU H . . 4.970 4.511 4.037 4.929 . 0 0 "[ . 1 . 2]" 1 823 1 43 ALA HA 1 46 VAL H . . 4.210 3.389 3.129 3.656 . 0 0 "[ . 1 . 2]" 1 824 1 43 ALA HA 1 46 VAL HA . . 5.500 5.093 4.794 5.405 . 0 0 "[ . 1 . 2]" 1 825 1 43 ALA HA 1 46 VAL HB . . 3.230 2.480 2.162 2.813 . 0 0 "[ . 1 . 2]" 1 826 1 43 ALA HA 1 46 VAL QG . . 3.730 2.387 1.941 2.884 . 0 0 "[ . 1 . 2]" 1 827 1 43 ALA MB 1 44 ALA H . . 3.410 2.506 2.280 2.683 . 0 0 "[ . 1 . 2]" 1 828 1 43 ALA MB 1 46 VAL H . . 5.100 4.542 4.365 4.700 . 0 0 "[ . 1 . 2]" 1 829 1 43 ALA MB 1 46 VAL HB . . 4.410 3.812 3.548 4.058 . 0 0 "[ . 1 . 2]" 1 830 1 44 ALA H 1 44 ALA MB . . 3.030 2.125 2.040 2.243 . 0 0 "[ . 1 . 2]" 1 831 1 44 ALA H 1 45 GLU H . . 3.570 2.998 2.864 3.180 . 0 0 "[ . 1 . 2]" 1 832 1 44 ALA H 1 46 VAL HB . . 5.500 5.117 4.912 5.480 . 0 0 "[ . 1 . 2]" 1 833 1 44 ALA HA 1 47 ALA H . . 5.170 4.021 3.306 4.496 . 0 0 "[ . 1 . 2]" 1 834 1 44 ALA MB 1 45 GLU H . . 3.580 2.443 2.120 2.656 . 0 0 "[ . 1 . 2]" 1 835 1 44 ALA MB 1 45 GLU HA . . 4.590 3.720 3.641 3.829 . 0 0 "[ . 1 . 2]" 1 836 1 44 ALA MB 1 45 GLU HG2 . . 4.450 3.237 2.946 3.525 . 0 0 "[ . 1 . 2]" 1 837 1 44 ALA MB 1 45 GLU HG3 . . 5.280 4.721 4.459 4.937 . 0 0 "[ . 1 . 2]" 1 838 1 44 ALA MB 1 46 VAL H . . 5.500 4.479 4.190 4.810 . 0 0 "[ . 1 . 2]" 1 839 1 45 GLU H 1 45 GLU HB3 . . 3.620 3.594 3.585 3.620 0.000 14 0 "[ . 1 . 2]" 1 840 1 45 GLU H 1 45 GLU HG2 . . 3.460 2.257 2.068 2.433 . 0 0 "[ . 1 . 2]" 1 841 1 45 GLU H 1 45 GLU HG3 . . 3.860 3.689 3.378 3.853 . 0 0 "[ . 1 . 2]" 1 842 1 45 GLU H 1 46 VAL H . . 3.610 2.665 2.509 2.835 . 0 0 "[ . 1 . 2]" 1 843 1 45 GLU H 1 46 VAL QG . . 4.480 3.950 3.793 4.114 . 0 0 "[ . 1 . 2]" 1 844 1 45 GLU H 1 47 ALA H . . 5.250 4.467 3.768 4.852 . 0 0 "[ . 1 . 2]" 1 845 1 45 GLU HA 1 46 VAL QG . . 5.440 4.810 4.656 4.881 . 0 0 "[ . 1 . 2]" 1 846 1 45 GLU HA 1 48 LYS H . . 4.010 3.677 3.367 3.913 . 0 0 "[ . 1 . 2]" 1 847 1 45 GLU HA 1 48 LYS QB . . 4.000 3.093 2.394 4.004 0.004 20 0 "[ . 1 . 2]" 1 848 1 45 GLU HA 1 48 LYS QE . . 5.170 4.181 1.996 5.169 . 0 0 "[ . 1 . 2]" 1 849 1 45 GLU HA 1 48 LYS QG . . 5.200 3.963 2.107 5.157 . 0 0 "[ . 1 . 2]" 1 850 1 45 GLU HA 1 49 LEU H . . 4.640 4.086 3.675 4.606 . 0 0 "[ . 1 . 2]" 1 851 1 45 GLU HB2 1 46 VAL QG . . 4.740 3.349 3.122 3.555 . 0 0 "[ . 1 . 2]" 1 852 1 45 GLU HB3 1 46 VAL H . . 4.670 3.594 3.275 3.946 . 0 0 "[ . 1 . 2]" 1 853 1 45 GLU HB3 1 46 VAL HA . . 4.870 4.419 4.271 4.638 . 0 0 "[ . 1 . 2]" 1 854 1 45 GLU HB3 1 48 LYS QD . . 4.700 4.394 3.925 4.702 0.002 15 0 "[ . 1 . 2]" 1 855 1 45 GLU HB3 1 49 LEU MD2 . . 5.500 5.097 4.495 5.449 . 0 0 "[ . 1 . 2]" 1 856 1 45 GLU HG2 1 46 VAL QG . . 5.440 5.028 4.639 5.235 . 0 0 "[ . 1 . 2]" 1 857 1 46 VAL H 1 46 VAL HB . . 3.500 2.607 2.525 2.718 . 0 0 "[ . 1 . 2]" 1 858 1 46 VAL H 1 46 VAL MG1 . . 4.270 3.768 3.758 3.781 . 0 0 "[ . 1 . 2]" 1 859 1 46 VAL H 1 46 VAL QG . . 3.270 2.086 1.919 2.219 . 0 0 "[ . 1 . 2]" 1 860 1 46 VAL H 1 46 VAL MG2 . . 4.270 2.096 1.925 2.235 . 0 0 "[ . 1 . 2]" 1 861 1 46 VAL H 1 47 ALA H . . 3.420 2.943 2.472 3.228 . 0 0 "[ . 1 . 2]" 1 862 1 46 VAL H 1 47 ALA MB . . 5.430 4.458 4.053 4.648 . 0 0 "[ . 1 . 2]" 1 863 1 46 VAL H 1 48 LYS H . . 5.240 4.445 4.041 4.702 . 0 0 "[ . 1 . 2]" 1 864 1 46 VAL HA 1 46 VAL MG1 . . 3.550 2.386 2.309 2.467 . 0 0 "[ . 1 . 2]" 1 865 1 46 VAL HA 1 46 VAL QG . . 3.060 2.098 2.052 2.180 . 0 0 "[ . 1 . 2]" 1 866 1 46 VAL HA 1 46 VAL MG2 . . 3.550 2.330 2.251 2.434 . 0 0 "[ . 1 . 2]" 1 867 1 46 VAL HA 1 47 ALA HA . . 5.030 4.843 4.784 4.927 . 0 0 "[ . 1 . 2]" 1 868 1 46 VAL HA 1 47 ALA MB . . 5.500 5.021 4.974 5.047 . 0 0 "[ . 1 . 2]" 1 869 1 46 VAL HA 1 49 LEU H . . 4.030 3.628 3.205 4.027 . 0 0 "[ . 1 . 2]" 1 870 1 46 VAL HA 1 49 LEU HB2 . . 4.040 3.547 3.051 4.037 . 0 0 "[ . 1 . 2]" 1 871 1 46 VAL HA 1 49 LEU QB . . 3.440 2.632 2.131 3.004 . 0 0 "[ . 1 . 2]" 1 872 1 46 VAL HA 1 49 LEU HB3 . . 4.040 2.722 2.171 3.148 . 0 0 "[ . 1 . 2]" 1 873 1 46 VAL HA 1 49 LEU MD2 . . 4.250 3.127 2.554 3.593 . 0 0 "[ . 1 . 2]" 1 874 1 46 VAL HA 1 49 LEU HG . . 5.500 4.986 4.493 5.427 . 0 0 "[ . 1 . 2]" 1 875 1 46 VAL HA 1 50 LEU H . . 4.770 4.147 3.632 4.716 . 0 0 "[ . 1 . 2]" 1 876 1 46 VAL HB 1 47 ALA H . . 3.640 2.327 2.059 2.976 . 0 0 "[ . 1 . 2]" 1 877 1 46 VAL HB 1 47 ALA MB . . 4.740 3.894 3.730 4.202 . 0 0 "[ . 1 . 2]" 1 878 1 46 VAL HB 1 48 LYS H . . 5.230 5.034 4.697 5.230 . 0 0 "[ . 1 . 2]" 1 879 1 46 VAL HB 1 50 LEU QD . . 5.220 4.211 3.612 5.126 . 0 0 "[ . 1 . 2]" 1 880 1 46 VAL QG 1 47 ALA H . . 3.450 3.017 2.746 3.444 . 0 0 "[ . 1 . 2]" 1 881 1 46 VAL QG 1 47 ALA HA . . 3.950 3.350 3.067 3.821 . 0 0 "[ . 1 . 2]" 1 882 1 46 VAL QG 1 49 LEU H . . 5.310 4.407 4.009 4.759 . 0 0 "[ . 1 . 2]" 1 883 1 46 VAL QG 1 49 LEU QB . . 4.510 3.406 2.907 3.756 . 0 0 "[ . 1 . 2]" 1 884 1 46 VAL QG 1 50 LEU H . . 4.580 3.827 3.240 4.414 . 0 0 "[ . 1 . 2]" 1 885 1 46 VAL MG1 1 47 ALA H . . 4.030 3.202 2.838 3.852 . 0 0 "[ . 1 . 2]" 1 886 1 46 VAL MG2 1 47 ALA H . . 4.030 3.721 3.622 3.880 . 0 0 "[ . 1 . 2]" 1 887 1 47 ALA H 1 47 ALA MB . . 2.800 2.146 2.025 2.255 . 0 0 "[ . 1 . 2]" 1 888 1 47 ALA H 1 48 LYS H . . 3.380 2.923 2.579 3.084 . 0 0 "[ . 1 . 2]" 1 889 1 47 ALA H 1 49 LEU H . . 4.870 4.344 3.814 4.771 . 0 0 "[ . 1 . 2]" 1 890 1 47 ALA H 1 50 LEU QD . . 4.890 4.081 3.511 4.884 . 0 0 "[ . 1 . 2]" 1 891 1 47 ALA HA 1 49 LEU H . . 5.410 4.636 4.178 5.136 . 0 0 "[ . 1 . 2]" 1 892 1 47 ALA HA 1 50 LEU H . . 4.230 3.809 3.436 4.198 . 0 0 "[ . 1 . 2]" 1 893 1 47 ALA HA 1 50 LEU HB2 . . 3.660 3.220 2.721 3.592 . 0 0 "[ . 1 . 2]" 1 894 1 47 ALA HA 1 50 LEU HB3 . . 5.090 4.742 4.242 5.080 . 0 0 "[ . 1 . 2]" 1 895 1 47 ALA HA 1 50 LEU QD . . 3.500 2.344 1.951 3.501 0.001 18 0 "[ . 1 . 2]" 1 896 1 47 ALA HA 1 50 LEU HG . . 4.150 3.668 3.112 4.099 . 0 0 "[ . 1 . 2]" 1 897 1 47 ALA MB 1 48 LYS H . . 3.420 2.430 2.117 2.722 . 0 0 "[ . 1 . 2]" 1 898 1 48 LYS H 1 48 LYS QB . . 3.070 2.303 2.226 2.517 . 0 0 "[ . 1 . 2]" 1 899 1 48 LYS H 1 48 LYS QD . . 4.820 4.347 3.804 4.561 . 0 0 "[ . 1 . 2]" 1 900 1 48 LYS H 1 48 LYS HG2 . . 4.840 3.866 2.311 4.472 . 0 0 "[ . 1 . 2]" 1 901 1 48 LYS H 1 48 LYS QG . . 4.140 3.483 2.100 4.028 . 0 0 "[ . 1 . 2]" 1 902 1 48 LYS H 1 48 LYS HG3 . . 4.840 4.067 2.127 4.616 . 0 0 "[ . 1 . 2]" 1 903 1 48 LYS H 1 49 LEU H . . 3.450 2.790 2.356 3.080 . 0 0 "[ . 1 . 2]" 1 904 1 48 LYS HA 1 48 LYS QD . . 4.600 4.143 3.595 4.327 . 0 0 "[ . 1 . 2]" 1 905 1 48 LYS HA 1 48 LYS QE . . 5.200 4.683 4.240 5.144 . 0 0 "[ . 1 . 2]" 1 906 1 48 LYS HA 1 48 LYS HG2 . . 4.010 3.218 2.549 4.215 0.205 20 0 "[ . 1 . 2]" 1 907 1 48 LYS HA 1 48 LYS HG3 . . 4.010 3.115 2.706 3.656 . 0 0 "[ . 1 . 2]" 1 908 1 48 LYS HA 1 51 ASP H . . 3.960 3.561 3.328 3.866 . 0 0 "[ . 1 . 2]" 1 909 1 48 LYS HA 1 51 ASP QB . . 3.290 2.975 2.555 3.265 . 0 0 "[ . 1 . 2]" 1 910 1 48 LYS HA 1 52 LEU H . . 4.550 4.374 4.076 4.543 . 0 0 "[ . 1 . 2]" 1 911 1 48 LYS HA 1 52 LEU MD1 . . 5.500 4.662 3.952 5.203 . 0 0 "[ . 1 . 2]" 1 912 1 48 LYS QB 1 48 LYS QD . . 3.310 2.129 2.046 2.296 . 0 0 "[ . 1 . 2]" 1 913 1 48 LYS QB 1 48 LYS QE . . 3.740 2.844 2.132 3.653 . 0 0 "[ . 1 . 2]" 1 914 1 48 LYS QB 1 49 LEU H . . 3.690 2.692 2.074 3.625 . 0 0 "[ . 1 . 2]" 1 915 1 48 LYS QB 1 49 LEU QB . . 5.180 4.196 3.758 4.840 . 0 0 "[ . 1 . 2]" 1 916 1 48 LYS QB 1 51 ASP QB . . 4.830 4.509 4.114 4.829 . 0 0 "[ . 1 . 2]" 1 917 1 48 LYS QD 1 49 LEU H . . 5.230 3.692 2.510 4.282 . 0 0 "[ . 1 . 2]" 1 918 1 48 LYS QD 1 49 LEU HA . . 4.470 4.053 2.415 4.469 . 0 0 "[ . 1 . 2]" 1 919 1 48 LYS QE 1 52 LEU MD1 . . 4.590 3.490 1.774 4.588 . 0 0 "[ . 1 . 2]" 1 920 1 48 LYS QG 1 49 LEU H . . 4.820 3.015 1.901 3.907 . 0 0 "[ . 1 . 2]" 1 921 1 48 LYS QG 1 49 LEU HA . . 4.800 3.413 2.941 4.201 . 0 0 "[ . 1 . 2]" 1 922 1 48 LYS QG 1 52 LEU MD1 . . 3.830 2.511 1.975 3.837 0.007 20 0 "[ . 1 . 2]" 1 923 1 48 LYS HG2 1 52 LEU MD1 . . 4.400 2.945 1.989 4.393 . 0 0 "[ . 1 . 2]" 1 924 1 48 LYS HG3 1 52 LEU MD1 . . 4.400 3.467 2.142 4.231 . 0 0 "[ . 1 . 2]" 1 925 1 49 LEU H 1 49 LEU HB2 . . 3.380 2.553 2.339 2.665 . 0 0 "[ . 1 . 2]" 1 926 1 49 LEU H 1 49 LEU HB3 . . 3.380 2.477 2.349 2.734 . 0 0 "[ . 1 . 2]" 1 927 1 49 LEU H 1 49 LEU MD1 . . 4.420 4.073 3.765 4.201 . 0 0 "[ . 1 . 2]" 1 928 1 49 LEU H 1 49 LEU MD2 . . 4.630 4.196 4.137 4.255 . 0 0 "[ . 1 . 2]" 1 929 1 49 LEU H 1 49 LEU HG . . 5.020 4.454 4.374 4.571 . 0 0 "[ . 1 . 2]" 1 930 1 49 LEU H 1 50 LEU H . . 3.450 2.887 2.519 3.140 . 0 0 "[ . 1 . 2]" 1 931 1 49 LEU H 1 52 LEU MD1 . . 5.230 3.876 3.330 4.268 . 0 0 "[ . 1 . 2]" 1 932 1 49 LEU HA 1 49 LEU MD1 . . 3.150 2.222 1.972 2.423 . 0 0 "[ . 1 . 2]" 1 933 1 49 LEU HA 1 49 LEU HG . . 3.830 3.140 2.923 3.318 . 0 0 "[ . 1 . 2]" 1 934 1 49 LEU HA 1 52 LEU HB2 . . 3.440 2.464 2.202 2.814 . 0 0 "[ . 1 . 2]" 1 935 1 49 LEU HA 1 52 LEU MD1 . . 3.370 2.257 1.942 2.517 . 0 0 "[ . 1 . 2]" 1 936 1 49 LEU HA 1 53 LYS QE . . 5.340 4.852 4.238 5.346 0.006 12 0 "[ . 1 . 2]" 1 937 1 49 LEU QB 1 49 LEU MD2 . . 3.210 2.062 1.998 2.098 . 0 0 "[ . 1 . 2]" 1 938 1 49 LEU QB 1 50 LEU H . . 3.590 2.398 1.952 2.675 . 0 0 "[ . 1 . 2]" 1 939 1 49 LEU QB 1 50 LEU QD . . 4.650 3.884 2.768 4.324 . 0 0 "[ . 1 . 2]" 1 940 1 49 LEU QB 1 50 LEU HG . . 5.340 3.591 3.186 5.207 . 0 0 "[ . 1 . 2]" 1 941 1 49 LEU HB2 1 50 LEU H . . 4.260 3.819 3.516 4.019 . 0 0 "[ . 1 . 2]" 1 942 1 49 LEU HB3 1 50 LEU H . . 4.260 2.424 1.962 2.718 . 0 0 "[ . 1 . 2]" 1 943 1 49 LEU MD1 1 52 LEU H . . 5.500 4.537 4.291 5.019 . 0 0 "[ . 1 . 2]" 1 944 1 49 LEU MD1 1 52 LEU HB2 . . 4.420 3.013 2.741 3.427 . 0 0 "[ . 1 . 2]" 1 945 1 49 LEU MD1 1 53 LYS H . . 5.170 4.246 3.657 4.952 . 0 0 "[ . 1 . 2]" 1 946 1 49 LEU MD1 1 53 LYS QE . . 3.720 3.063 2.027 3.633 . 0 0 "[ . 1 . 2]" 1 947 1 49 LEU MD1 1 53 LYS QG . . 4.570 3.256 2.571 4.510 . 0 0 "[ . 1 . 2]" 1 948 1 49 LEU MD2 1 50 LEU H . . 4.890 3.935 3.390 4.397 . 0 0 "[ . 1 . 2]" 1 949 1 49 LEU MD2 1 50 LEU HG . . 5.500 4.158 3.722 5.459 . 0 0 "[ . 1 . 2]" 1 950 1 49 LEU MD2 1 53 LYS QE . . 4.090 3.034 1.962 4.101 0.011 12 0 "[ . 1 . 2]" 1 951 1 49 LEU HG 1 50 LEU H . . 4.010 3.456 3.137 3.763 . 0 0 "[ . 1 . 2]" 1 952 1 49 LEU HG 1 50 LEU HA . . 5.130 3.497 3.211 3.757 . 0 0 "[ . 1 . 2]" 1 953 1 49 LEU HG 1 53 LYS QE . . 4.540 2.476 1.995 3.778 . 0 0 "[ . 1 . 2]" 1 954 1 50 LEU H 1 50 LEU HB2 . . 3.220 2.474 2.247 2.666 . 0 0 "[ . 1 . 2]" 1 955 1 50 LEU H 1 50 LEU HB3 . . 3.970 3.581 3.530 3.615 . 0 0 "[ . 1 . 2]" 1 956 1 50 LEU H 1 50 LEU MD1 . . 4.340 3.462 3.243 4.086 . 0 0 "[ . 1 . 2]" 1 957 1 50 LEU H 1 50 LEU QD . . 3.710 3.018 1.878 3.286 . 0 0 "[ . 1 . 2]" 1 958 1 50 LEU H 1 50 LEU MD2 . . 4.340 3.436 1.881 3.908 . 0 0 "[ . 1 . 2]" 1 959 1 50 LEU H 1 50 LEU HG . . 3.620 2.337 1.940 3.625 0.005 18 0 "[ . 1 . 2]" 1 960 1 50 LEU H 1 51 ASP H . . 3.560 2.839 2.690 3.050 . 0 0 "[ . 1 . 2]" 1 961 1 50 LEU H 1 51 ASP QB . . 4.870 4.769 4.560 4.874 0.004 15 0 "[ . 1 . 2]" 1 962 1 50 LEU HA 1 50 LEU MD1 . . 4.210 3.827 2.638 3.941 . 0 0 "[ . 1 . 2]" 1 963 1 50 LEU HA 1 50 LEU QD . . 3.010 2.201 1.968 2.439 . 0 0 "[ . 1 . 2]" 1 964 1 50 LEU HA 1 50 LEU MD2 . . 4.210 2.218 1.974 2.466 . 0 0 "[ . 1 . 2]" 1 965 1 50 LEU HA 1 53 LYS QE . . 5.340 3.089 1.831 5.125 . 0 0 "[ . 1 . 2]" 1 966 1 50 LEU HB2 1 51 ASP H . . 3.570 2.671 2.215 3.083 . 0 0 "[ . 1 . 2]" 1 967 1 50 LEU HB2 1 51 ASP QB . . 5.070 4.479 3.914 4.794 . 0 0 "[ . 1 . 2]" 1 968 1 50 LEU HB3 1 50 LEU QD . . 3.100 2.064 1.987 2.115 . 0 0 "[ . 1 . 2]" 1 969 1 50 LEU HB3 1 51 ASP H . . 4.020 3.575 3.179 3.945 . 0 0 "[ . 1 . 2]" 1 970 1 50 LEU QD 1 53 LYS QE . . 5.280 3.309 2.073 5.231 . 0 0 "[ . 1 . 2]" 1 971 1 50 LEU MD1 1 51 ASP H . . 4.990 4.453 3.957 4.885 . 0 0 "[ . 1 . 2]" 1 972 1 50 LEU MD2 1 51 ASP H . . 4.990 4.710 4.131 4.900 . 0 0 "[ . 1 . 2]" 1 973 1 50 LEU HG 1 51 ASP H . . 5.460 4.487 4.227 4.977 . 0 0 "[ . 1 . 2]" 1 974 1 51 ASP H 1 51 ASP QB . . 2.980 2.334 2.141 2.598 . 0 0 "[ . 1 . 2]" 1 975 1 51 ASP H 1 52 LEU H . . 3.370 2.564 2.349 2.787 . 0 0 "[ . 1 . 2]" 1 976 1 51 ASP H 1 52 LEU HG . . 5.500 4.637 4.254 4.995 . 0 0 "[ . 1 . 2]" 1 977 1 51 ASP H 1 54 LYS QD . . 5.340 4.762 4.226 5.219 . 0 0 "[ . 1 . 2]" 1 978 1 51 ASP HA 1 54 LYS H . . 3.890 3.429 3.138 3.612 . 0 0 "[ . 1 . 2]" 1 979 1 51 ASP HA 1 54 LYS QB . . 3.810 3.495 3.141 3.669 . 0 0 "[ . 1 . 2]" 1 980 1 51 ASP HA 1 54 LYS QD . . 3.870 2.284 1.991 2.717 . 0 0 "[ . 1 . 2]" 1 981 1 51 ASP HA 1 54 LYS QE . . 5.020 3.889 1.987 4.692 . 0 0 "[ . 1 . 2]" 1 982 1 51 ASP HA 1 54 LYS QG . . 5.340 3.141 2.102 3.613 . 0 0 "[ . 1 . 2]" 1 983 1 51 ASP HA 1 55 GLN H . . 4.630 4.259 3.787 4.631 0.001 12 0 "[ . 1 . 2]" 1 984 1 51 ASP QB 1 52 LEU H . . 3.360 2.625 2.275 3.034 . 0 0 "[ . 1 . 2]" 1 985 1 51 ASP QB 1 52 LEU HA . . 4.550 3.942 3.783 4.382 . 0 0 "[ . 1 . 2]" 1 986 1 51 ASP QB 1 52 LEU HB2 . . 5.410 4.659 4.451 4.868 . 0 0 "[ . 1 . 2]" 1 987 1 51 ASP QB 1 52 LEU MD1 . . 5.070 4.702 4.270 4.880 . 0 0 "[ . 1 . 2]" 1 988 1 51 ASP QB 1 52 LEU MD2 . . 5.070 4.377 3.923 4.929 . 0 0 "[ . 1 . 2]" 1 989 1 51 ASP QB 1 52 LEU HG . . 3.950 3.680 3.438 3.933 . 0 0 "[ . 1 . 2]" 1 990 1 51 ASP QB 1 53 LYS H . . 5.240 4.614 4.281 4.888 . 0 0 "[ . 1 . 2]" 1 991 1 51 ASP QB 1 54 LYS H . . 5.150 4.754 4.436 5.050 . 0 0 "[ . 1 . 2]" 1 992 1 51 ASP QB 1 54 LYS QB . . 5.140 4.870 4.208 5.167 0.027 15 0 "[ . 1 . 2]" 1 993 1 51 ASP QB 1 55 GLN QE . . 4.450 3.330 2.429 4.123 . 0 0 "[ . 1 . 2]" 1 994 1 51 ASP QB 1 55 GLN QG . . 4.660 3.589 2.462 4.491 . 0 0 "[ . 1 . 2]" 1 995 1 52 LEU H 1 52 LEU HB2 . . 3.300 2.353 2.216 2.537 . 0 0 "[ . 1 . 2]" 1 996 1 52 LEU H 1 52 LEU HB3 . . 3.670 3.564 3.517 3.600 . 0 0 "[ . 1 . 2]" 1 997 1 52 LEU H 1 52 LEU MD1 . . 4.070 3.531 3.156 3.742 . 0 0 "[ . 1 . 2]" 1 998 1 52 LEU H 1 52 LEU MD2 . . 3.920 3.739 3.526 3.920 0.000 8 0 "[ . 1 . 2]" 1 999 1 52 LEU H 1 52 LEU HG . . 3.180 2.555 2.193 2.901 . 0 0 "[ . 1 . 2]" 1 1000 1 52 LEU H 1 53 LYS H . . 3.410 2.721 2.411 2.968 . 0 0 "[ . 1 . 2]" 1 1001 1 52 LEU H 1 53 LYS HA . . 5.500 5.296 5.006 5.490 . 0 0 "[ . 1 . 2]" 1 1002 1 52 LEU H 1 54 LYS H . . 4.550 4.273 3.891 4.464 . 0 0 "[ . 1 . 2]" 1 1003 1 52 LEU H 1 55 GLN QE . . 5.170 4.149 2.805 5.162 . 0 0 "[ . 1 . 2]" 1 1004 1 52 LEU HA 1 52 LEU MD2 . . 3.260 2.181 1.979 2.530 . 0 0 "[ . 1 . 2]" 1 1005 1 52 LEU HA 1 54 LYS H . . 4.260 4.200 4.070 4.273 0.013 15 0 "[ . 1 . 2]" 1 1006 1 52 LEU HA 1 55 GLN QB . . 3.350 2.406 2.062 2.747 . 0 0 "[ . 1 . 2]" 1 1007 1 52 LEU HA 1 55 GLN HE21 . . 4.670 2.848 1.899 4.435 . 0 0 "[ . 1 . 2]" 1 1008 1 52 LEU HA 1 55 GLN QE . . 4.000 2.718 1.870 3.706 . 0 0 "[ . 1 . 2]" 1 1009 1 52 LEU HA 1 55 GLN HE22 . . 4.670 3.922 2.804 4.671 0.001 15 0 "[ . 1 . 2]" 1 1010 1 52 LEU HA 1 55 GLN QG . . 4.040 3.644 2.678 4.032 . 0 0 "[ . 1 . 2]" 1 1011 1 52 LEU HA 1 56 LEU H . . 4.530 3.909 3.606 4.407 . 0 0 "[ . 1 . 2]" 1 1012 1 52 LEU HB2 1 52 LEU MD1 . . 3.310 2.190 2.054 2.330 . 0 0 "[ . 1 . 2]" 1 1013 1 52 LEU HB2 1 52 LEU MD2 . . 3.630 3.172 3.119 3.191 . 0 0 "[ . 1 . 2]" 1 1014 1 52 LEU HB2 1 53 LYS H . . 3.670 2.853 2.444 3.373 . 0 0 "[ . 1 . 2]" 1 1015 1 52 LEU HB3 1 52 LEU MD1 . . 3.660 2.470 2.370 2.611 . 0 0 "[ . 1 . 2]" 1 1016 1 52 LEU HB3 1 52 LEU MD2 . . 3.330 2.241 2.047 2.353 . 0 0 "[ . 1 . 2]" 1 1017 1 52 LEU HB3 1 53 LYS H . . 4.500 3.603 3.048 4.105 . 0 0 "[ . 1 . 2]" 1 1018 1 52 LEU MD1 1 53 LYS H . . 4.950 4.616 4.276 5.000 0.050 15 0 "[ . 1 . 2]" 1 1019 1 52 LEU MD2 1 53 LYS H . . 5.500 4.767 4.534 4.887 . 0 0 "[ . 1 . 2]" 1 1020 1 52 LEU MD2 1 55 GLN H . . 5.500 4.921 4.559 5.164 . 0 0 "[ . 1 . 2]" 1 1021 1 52 LEU MD2 1 55 GLN HE21 . . 4.170 2.987 2.014 3.808 . 0 0 "[ . 1 . 2]" 1 1022 1 52 LEU MD2 1 55 GLN QE . . 3.660 2.634 1.970 3.201 . 0 0 "[ . 1 . 2]" 1 1023 1 52 LEU MD2 1 55 GLN HE22 . . 4.170 3.069 2.221 3.750 . 0 0 "[ . 1 . 2]" 1 1024 1 52 LEU MD2 1 55 GLN QG . . 4.840 4.381 3.939 4.750 . 0 0 "[ . 1 . 2]" 1 1025 1 53 LYS H 1 53 LYS HB2 . . 3.930 2.400 2.178 2.817 . 0 0 "[ . 1 . 2]" 1 1026 1 53 LYS H 1 53 LYS QB . . 3.190 2.362 2.157 2.715 . 0 0 "[ . 1 . 2]" 1 1027 1 53 LYS H 1 53 LYS HB3 . . 3.930 3.563 3.484 3.666 . 0 0 "[ . 1 . 2]" 1 1028 1 53 LYS H 1 53 LYS QD . . 4.300 3.593 1.972 4.301 0.001 18 0 "[ . 1 . 2]" 1 1029 1 53 LYS H 1 53 LYS HG2 . . 4.350 3.441 1.888 4.275 . 0 0 "[ . 1 . 2]" 1 1030 1 53 LYS H 1 53 LYS QG . . 3.610 2.599 1.879 3.533 . 0 0 "[ . 1 . 2]" 1 1031 1 53 LYS H 1 53 LYS HG3 . . 4.350 2.897 2.180 3.778 . 0 0 "[ . 1 . 2]" 1 1032 1 53 LYS H 1 54 LYS H . . 3.290 2.642 2.192 2.982 . 0 0 "[ . 1 . 2]" 1 1033 1 53 LYS H 1 54 LYS QB . . 5.400 4.661 4.315 5.128 . 0 0 "[ . 1 . 2]" 1 1034 1 53 LYS H 1 54 LYS QD . . 5.340 5.156 4.758 5.368 0.028 15 0 "[ . 1 . 2]" 1 1035 1 53 LYS HA 1 53 LYS QD . . 4.150 3.450 2.000 4.015 . 0 0 "[ . 1 . 2]" 1 1036 1 53 LYS HA 1 53 LYS QE . . 4.850 4.411 3.001 4.848 . 0 0 "[ . 1 . 2]" 1 1037 1 53 LYS HA 1 53 LYS HG2 . . 3.980 2.787 2.306 3.540 . 0 0 "[ . 1 . 2]" 1 1038 1 53 LYS HA 1 53 LYS QG . . 3.340 2.415 2.150 3.214 . 0 0 "[ . 1 . 2]" 1 1039 1 53 LYS HA 1 53 LYS HG3 . . 3.980 2.981 2.171 3.867 . 0 0 "[ . 1 . 2]" 1 1040 1 53 LYS HA 1 55 GLN H . . 5.500 4.703 4.355 5.329 . 0 0 "[ . 1 . 2]" 1 1041 1 53 LYS HA 1 56 LEU H . . 4.010 3.899 3.778 4.010 . 0 0 "[ . 1 . 2]" 1 1042 1 53 LYS HA 1 56 LEU HB2 . . 4.070 3.727 3.478 3.992 . 0 0 "[ . 1 . 2]" 1 1043 1 53 LYS HA 1 56 LEU HB3 . . 3.990 3.493 3.071 3.850 . 0 0 "[ . 1 . 2]" 1 1044 1 53 LYS HA 1 57 ALA H . . 4.820 4.279 3.849 4.785 . 0 0 "[ . 1 . 2]" 1 1045 1 53 LYS QB 1 53 LYS QD . . 3.400 2.216 2.072 2.697 . 0 0 "[ . 1 . 2]" 1 1046 1 53 LYS QB 1 54 LYS H . . 3.570 2.689 2.540 2.906 . 0 0 "[ . 1 . 2]" 1 1047 1 53 LYS QE 1 53 LYS QG . . 3.230 2.236 2.069 2.554 . 0 0 "[ . 1 . 2]" 1 1048 1 54 LYS H 1 54 LYS QB . . 2.980 2.391 2.249 2.570 . 0 0 "[ . 1 . 2]" 1 1049 1 54 LYS H 1 54 LYS QD . . 5.340 3.484 3.198 4.065 . 0 0 "[ . 1 . 2]" 1 1050 1 54 LYS H 1 54 LYS QE . . 5.340 4.659 2.943 4.943 . 0 0 "[ . 1 . 2]" 1 1051 1 54 LYS H 1 54 LYS HG2 . . 4.250 2.854 2.259 3.602 . 0 0 "[ . 1 . 2]" 1 1052 1 54 LYS H 1 54 LYS HG3 . . 4.250 3.477 1.975 4.097 . 0 0 "[ . 1 . 2]" 1 1053 1 54 LYS H 1 55 GLN H . . 3.210 2.483 2.282 2.876 . 0 0 "[ . 1 . 2]" 1 1054 1 54 LYS H 1 55 GLN QB . . 4.910 4.315 4.091 4.628 . 0 0 "[ . 1 . 2]" 1 1055 1 54 LYS H 1 55 GLN QG . . 4.860 4.455 3.934 4.712 . 0 0 "[ . 1 . 2]" 1 1056 1 54 LYS HA 1 54 LYS QD . . 4.900 4.321 4.112 4.582 . 0 0 "[ . 1 . 2]" 1 1057 1 54 LYS HA 1 54 LYS QG . . 3.640 3.103 2.532 3.325 . 0 0 "[ . 1 . 2]" 1 1058 1 54 LYS HA 1 56 LEU H . . 4.930 4.227 3.699 4.700 . 0 0 "[ . 1 . 2]" 1 1059 1 54 LYS HA 1 57 ALA H . . 4.300 3.788 3.401 4.083 . 0 0 "[ . 1 . 2]" 1 1060 1 54 LYS HA 1 58 VAL H . . 4.600 3.807 3.058 4.459 . 0 0 "[ . 1 . 2]" 1 1061 1 54 LYS HA 1 58 VAL QG . . 4.360 3.482 2.440 4.366 0.006 10 0 "[ . 1 . 2]" 1 1062 1 54 LYS QB 1 54 LYS QE . . 4.190 2.808 1.887 3.676 . 0 0 "[ . 1 . 2]" 1 1063 1 54 LYS QB 1 55 GLN H . . 3.550 3.082 1.995 3.461 . 0 0 "[ . 1 . 2]" 1 1064 1 54 LYS QB 1 55 GLN QG . . 4.960 4.165 3.030 4.721 . 0 0 "[ . 1 . 2]" 1 1065 1 54 LYS QB 1 56 LEU H . . 5.500 4.919 4.114 5.391 . 0 0 "[ . 1 . 2]" 1 1066 1 54 LYS QB 1 58 VAL QG . . 5.310 3.244 2.228 3.955 . 0 0 "[ . 1 . 2]" 1 1067 1 54 LYS QD 1 55 GLN H . . 4.550 3.902 3.676 4.192 . 0 0 "[ . 1 . 2]" 1 1068 1 54 LYS HD2 1 55 GLN H . . 5.180 4.544 4.257 5.124 . 0 0 "[ . 1 . 2]" 1 1069 1 54 LYS HD3 1 55 GLN H . . 5.180 4.307 3.766 4.876 . 0 0 "[ . 1 . 2]" 1 1070 1 54 LYS QE 1 58 VAL QG . . 5.280 4.487 3.842 5.248 . 0 0 "[ . 1 . 2]" 1 1071 1 54 LYS QG 1 56 LEU H . . 5.130 4.554 4.183 5.130 0.000 20 0 "[ . 1 . 2]" 1 1072 1 54 LYS QG 1 58 VAL QG . . 3.660 3.278 2.772 3.657 . 0 0 "[ . 1 . 2]" 1 1073 1 54 LYS HG2 1 55 GLN H . . 4.990 2.712 1.899 4.842 . 0 0 "[ . 1 . 2]" 1 1074 1 54 LYS HG3 1 55 GLN H . . 4.990 3.404 2.778 4.109 . 0 0 "[ . 1 . 2]" 1 1075 1 55 GLN H 1 55 GLN QB . . 3.120 2.307 2.159 2.534 . 0 0 "[ . 1 . 2]" 1 1076 1 55 GLN H 1 55 GLN QE . . 4.880 3.953 3.244 4.595 . 0 0 "[ . 1 . 2]" 1 1077 1 55 GLN H 1 55 GLN HG2 . . 3.960 3.639 3.158 3.905 . 0 0 "[ . 1 . 2]" 1 1078 1 55 GLN H 1 55 GLN QG . . 3.170 2.532 2.059 2.875 . 0 0 "[ . 1 . 2]" 1 1079 1 55 GLN H 1 55 GLN HG3 . . 3.960 2.593 2.072 2.968 . 0 0 "[ . 1 . 2]" 1 1080 1 55 GLN H 1 56 LEU H . . 3.380 2.694 2.565 2.869 . 0 0 "[ . 1 . 2]" 1 1081 1 55 GLN HA 1 55 GLN HG2 . . 3.930 2.430 2.181 2.857 . 0 0 "[ . 1 . 2]" 1 1082 1 55 GLN HA 1 55 GLN QG . . 3.330 2.296 2.139 2.517 . 0 0 "[ . 1 . 2]" 1 1083 1 55 GLN HA 1 55 GLN HG3 . . 3.930 2.953 2.696 3.317 . 0 0 "[ . 1 . 2]" 1 1084 1 55 GLN HA 1 58 VAL H . . 4.800 4.085 3.631 4.531 . 0 0 "[ . 1 . 2]" 1 1085 1 55 GLN HA 1 58 VAL HB . . 3.640 3.070 2.718 3.643 0.003 10 0 "[ . 1 . 2]" 1 1086 1 55 GLN HA 1 58 VAL MG1 . . 4.520 4.106 2.192 4.434 . 0 0 "[ . 1 . 2]" 1 1087 1 55 GLN HA 1 58 VAL QG . . 3.550 3.066 2.186 3.550 . 0 0 "[ . 1 . 2]" 1 1088 1 55 GLN HA 1 58 VAL MG2 . . 4.520 3.285 2.611 4.396 . 0 0 "[ . 1 . 2]" 1 1089 1 55 GLN HA 1 59 ALA H . . 4.620 4.021 3.585 4.604 . 0 0 "[ . 1 . 2]" 1 1090 1 55 GLN HA 1 59 ALA MB . . 5.000 4.458 3.848 4.967 . 0 0 "[ . 1 . 2]" 1 1091 1 55 GLN QB 1 55 GLN QE . . 3.700 2.399 2.014 3.053 . 0 0 "[ . 1 . 2]" 1 1092 1 55 GLN QB 1 58 VAL QG . . 5.280 4.535 3.724 4.855 . 0 0 "[ . 1 . 2]" 1 1093 1 55 GLN HB2 1 56 LEU H . . 3.930 2.822 2.453 3.112 . 0 0 "[ . 1 . 2]" 1 1094 1 55 GLN HB3 1 56 LEU H . . 3.930 3.540 3.152 3.930 0.000 20 0 "[ . 1 . 2]" 1 1095 1 55 GLN QE 1 55 GLN QG . . 3.010 2.346 2.081 2.570 . 0 0 "[ . 1 . 2]" 1 1096 1 55 GLN QG 1 56 LEU H . . 4.590 4.272 4.031 4.378 . 0 0 "[ . 1 . 2]" 1 1097 1 55 GLN QG 1 58 VAL QG . . 4.850 4.129 3.571 4.572 . 0 0 "[ . 1 . 2]" 1 1098 1 55 GLN HG2 1 56 LEU H . . 5.310 5.057 4.853 5.310 0.000 20 0 "[ . 1 . 2]" 1 1099 1 55 GLN HG3 1 56 LEU H . . 5.310 4.615 4.245 4.815 . 0 0 "[ . 1 . 2]" 1 1100 1 56 LEU H 1 56 LEU HB2 . . 3.330 2.356 2.209 2.618 . 0 0 "[ . 1 . 2]" 1 1101 1 56 LEU H 1 56 LEU HB3 . . 3.350 2.711 2.566 2.853 . 0 0 "[ . 1 . 2]" 1 1102 1 56 LEU H 1 56 LEU MD1 . . 4.490 4.196 4.095 4.280 . 0 0 "[ . 1 . 2]" 1 1103 1 56 LEU H 1 56 LEU MD2 . . 4.470 3.885 3.643 4.168 . 0 0 "[ . 1 . 2]" 1 1104 1 56 LEU H 1 56 LEU HG . . 5.260 4.562 4.348 4.685 . 0 0 "[ . 1 . 2]" 1 1105 1 56 LEU H 1 57 ALA H . . 3.420 2.845 2.502 3.065 . 0 0 "[ . 1 . 2]" 1 1106 1 56 LEU H 1 57 ALA MB . . 4.660 4.296 4.079 4.477 . 0 0 "[ . 1 . 2]" 1 1107 1 56 LEU H 1 58 VAL H . . 4.730 4.255 3.792 4.695 . 0 0 "[ . 1 . 2]" 1 1108 1 56 LEU H 1 59 ALA MB . . 5.110 4.659 4.321 4.971 . 0 0 "[ . 1 . 2]" 1 1109 1 56 LEU HA 1 56 LEU MD1 . . 4.100 2.983 2.519 3.852 . 0 0 "[ . 1 . 2]" 1 1110 1 56 LEU HA 1 56 LEU MD2 . . 3.120 2.063 1.923 2.747 . 0 0 "[ . 1 . 2]" 1 1111 1 56 LEU HA 1 59 ALA H . . 4.300 3.784 3.501 4.009 . 0 0 "[ . 1 . 2]" 1 1112 1 56 LEU HA 1 59 ALA MB . . 3.950 2.809 2.557 3.076 . 0 0 "[ . 1 . 2]" 1 1113 1 56 LEU HB2 1 56 LEU MD1 . . 3.330 3.089 2.250 3.192 . 0 0 "[ . 1 . 2]" 1 1114 1 56 LEU HB2 1 57 ALA H . . 3.730 3.459 3.310 3.654 . 0 0 "[ . 1 . 2]" 1 1115 1 56 LEU HB3 1 56 LEU MD1 . . 3.300 2.241 2.100 2.424 . 0 0 "[ . 1 . 2]" 1 1116 1 56 LEU HB3 1 57 ALA H . . 3.910 2.071 1.928 2.392 . 0 0 "[ . 1 . 2]" 1 1117 1 56 LEU HB3 1 57 ALA HA . . 4.880 3.964 3.829 4.104 . 0 0 "[ . 1 . 2]" 1 1118 1 56 LEU MD1 1 57 ALA H . . 4.530 2.970 2.504 3.965 . 0 0 "[ . 1 . 2]" 1 1119 1 56 LEU MD1 1 57 ALA HA . . 4.850 2.942 2.509 4.745 . 0 0 "[ . 1 . 2]" 1 1120 1 56 LEU MD1 1 60 GLU H . . 5.500 3.934 3.363 5.501 0.001 7 0 "[ . 1 . 2]" 1 1121 1 56 LEU MD2 1 57 ALA H . . 4.820 4.205 2.750 4.585 . 0 0 "[ . 1 . 2]" 1 1122 1 56 LEU MD2 1 57 ALA HA . . 5.500 4.735 2.624 5.417 . 0 0 "[ . 1 . 2]" 1 1123 1 56 LEU MD2 1 59 ALA MB . . 3.540 3.301 2.948 3.532 . 0 0 "[ . 1 . 2]" 1 1124 1 56 LEU MD2 1 60 GLU H . . 4.820 4.409 2.703 4.818 . 0 0 "[ . 1 . 2]" 1 1125 1 56 LEU MD2 1 60 GLU QG . . 3.850 3.415 1.950 3.846 . 0 0 "[ . 1 . 2]" 1 1126 1 56 LEU HG 1 57 ALA H . . 4.700 4.446 4.155 4.666 . 0 0 "[ . 1 . 2]" 1 1127 1 56 LEU HG 1 57 ALA HA . . 5.500 5.452 5.251 5.507 0.007 7 0 "[ . 1 . 2]" 1 1128 1 57 ALA H 1 57 ALA MB . . 2.890 2.105 2.023 2.233 . 0 0 "[ . 1 . 2]" 1 1129 1 57 ALA H 1 58 VAL QG . . 4.590 4.320 4.102 4.573 . 0 0 "[ . 1 . 2]" 1 1130 1 57 ALA H 1 59 ALA MB . . 5.090 4.851 4.648 5.085 . 0 0 "[ . 1 . 2]" 1 1131 1 57 ALA HA 1 59 ALA H . . 4.820 4.641 4.079 4.816 . 0 0 "[ . 1 . 2]" 1 1132 1 57 ALA HA 1 60 GLU H . . 4.020 3.698 3.209 3.997 . 0 0 "[ . 1 . 2]" 1 1133 1 57 ALA HA 1 60 GLU QB . . 3.600 3.007 2.574 3.476 . 0 0 "[ . 1 . 2]" 1 1134 1 57 ALA HA 1 60 GLU QG . . 4.400 4.002 3.437 4.397 . 0 0 "[ . 1 . 2]" 1 1135 1 57 ALA HA 1 61 GLY H . . 5.050 4.232 3.869 5.014 . 0 0 "[ . 1 . 2]" 1 1136 1 57 ALA HA 1 62 LYS H . . 4.690 3.981 3.409 4.610 . 0 0 "[ . 1 . 2]" 1 1137 1 57 ALA HA 1 62 LYS QB . . 4.880 3.366 2.341 4.777 . 0 0 "[ . 1 . 2]" 1 1138 1 57 ALA MB 1 58 VAL H . . 3.300 2.428 2.228 2.601 . 0 0 "[ . 1 . 2]" 1 1139 1 57 ALA MB 1 58 VAL HA . . 4.510 3.665 3.549 3.775 . 0 0 "[ . 1 . 2]" 1 1140 1 58 VAL H 1 58 VAL HB . . 3.020 2.592 2.212 2.699 . 0 0 "[ . 1 . 2]" 1 1141 1 58 VAL H 1 58 VAL MG1 . . 3.990 3.715 2.735 3.778 . 0 0 "[ . 1 . 2]" 1 1142 1 58 VAL H 1 58 VAL QG . . 2.950 2.106 1.880 2.658 . 0 0 "[ . 1 . 2]" 1 1143 1 58 VAL H 1 58 VAL MG2 . . 3.990 2.164 1.884 3.615 . 0 0 "[ . 1 . 2]" 1 1144 1 58 VAL H 1 60 GLU H . . 4.770 4.456 4.196 4.754 . 0 0 "[ . 1 . 2]" 1 1145 1 58 VAL HA 1 58 VAL MG1 . . 3.270 2.458 2.301 3.147 . 0 0 "[ . 1 . 2]" 1 1146 1 58 VAL HA 1 58 VAL QG . . 2.800 2.132 2.072 2.175 . 0 0 "[ . 1 . 2]" 1 1147 1 58 VAL HA 1 58 VAL MG2 . . 3.270 2.358 2.161 2.434 . 0 0 "[ . 1 . 2]" 1 1148 1 58 VAL HA 1 59 ALA HA . . 5.100 4.861 4.724 4.928 . 0 0 "[ . 1 . 2]" 1 1149 1 58 VAL HA 1 60 GLU H . . 5.290 4.563 4.162 5.054 . 0 0 "[ . 1 . 2]" 1 1150 1 58 VAL HA 1 61 GLY H . . 4.540 3.450 3.131 4.182 . 0 0 "[ . 1 . 2]" 1 1151 1 58 VAL HA 1 61 GLY QA . . 4.600 3.880 3.343 4.504 . 0 0 "[ . 1 . 2]" 1 1152 1 58 VAL HA 1 62 LYS H . . 4.450 4.119 3.576 4.449 . 0 0 "[ . 1 . 2]" 1 1153 1 58 VAL HB 1 59 ALA H . . 3.420 2.446 2.183 3.512 0.092 10 0 "[ . 1 . 2]" 1 1154 1 58 VAL QG 1 59 ALA H . . 3.620 3.019 1.803 3.318 . 0 0 "[ . 1 . 2]" 1 1155 1 58 VAL QG 1 59 ALA HA . . 4.020 3.359 2.642 3.666 . 0 0 "[ . 1 . 2]" 1 1156 1 58 VAL QG 1 61 GLY H . . 5.440 4.230 4.015 4.502 . 0 0 "[ . 1 . 2]" 1 1157 1 58 VAL MG1 1 59 ALA H . . 4.290 3.212 1.806 3.611 . 0 0 "[ . 1 . 2]" 1 1158 1 58 VAL MG2 1 59 ALA H . . 4.290 3.762 3.643 3.875 . 0 0 "[ . 1 . 2]" 1 1159 1 59 ALA H 1 59 ALA MB . . 2.980 2.146 2.054 2.248 . 0 0 "[ . 1 . 2]" 1 1160 1 59 ALA H 1 60 GLU H . . 3.460 2.918 2.525 3.103 . 0 0 "[ . 1 . 2]" 1 1161 1 59 ALA H 1 61 GLY H . . 4.490 4.189 3.915 4.430 . 0 0 "[ . 1 . 2]" 1 1162 1 59 ALA MB 1 60 GLU H . . 3.470 2.444 2.170 2.662 . 0 0 "[ . 1 . 2]" 1 1163 1 59 ALA MB 1 60 GLU QB . . 5.230 4.110 3.968 4.321 . 0 0 "[ . 1 . 2]" 1 1164 1 59 ALA MB 1 60 GLU HG2 . . 4.950 4.126 3.253 4.612 . 0 0 "[ . 1 . 2]" 1 1165 1 59 ALA MB 1 60 GLU QG . . 4.290 3.297 3.000 3.481 . 0 0 "[ . 1 . 2]" 1 1166 1 59 ALA MB 1 60 GLU HG3 . . 4.950 3.674 3.077 4.915 . 0 0 "[ . 1 . 2]" 1 1167 1 59 ALA MB 1 61 GLY H . . 5.270 4.417 4.145 4.624 . 0 0 "[ . 1 . 2]" 1 1168 1 60 GLU H 1 60 GLU HB2 . . 3.940 2.342 2.200 2.513 . 0 0 "[ . 1 . 2]" 1 1169 1 60 GLU H 1 60 GLU QB . . 3.100 2.311 2.178 2.468 . 0 0 "[ . 1 . 2]" 1 1170 1 60 GLU H 1 60 GLU HB3 . . 3.940 3.561 3.503 3.607 . 0 0 "[ . 1 . 2]" 1 1171 1 60 GLU H 1 60 GLU HG2 . . 4.190 3.448 2.677 3.827 . 0 0 "[ . 1 . 2]" 1 1172 1 60 GLU H 1 60 GLU QG . . 3.400 2.562 2.216 3.018 . 0 0 "[ . 1 . 2]" 1 1173 1 60 GLU H 1 60 GLU HG3 . . 4.190 2.808 2.239 3.870 . 0 0 "[ . 1 . 2]" 1 1174 1 60 GLU H 1 61 GLY H . . 3.470 2.661 2.454 2.903 . 0 0 "[ . 1 . 2]" 1 1175 1 60 GLU H 1 61 GLY QA . . 4.740 4.520 4.361 4.637 . 0 0 "[ . 1 . 2]" 1 1176 1 60 GLU H 1 62 LYS H . . 4.590 4.281 3.811 4.571 . 0 0 "[ . 1 . 2]" 1 1177 1 60 GLU HA 1 60 GLU HG2 . . 3.990 2.514 2.214 3.643 . 0 0 "[ . 1 . 2]" 1 1178 1 60 GLU HA 1 60 GLU QG . . 3.190 2.367 2.164 2.605 . 0 0 "[ . 1 . 2]" 1 1179 1 60 GLU HA 1 60 GLU HG3 . . 3.990 3.117 2.458 3.694 . 0 0 "[ . 1 . 2]" 1 1180 1 60 GLU HA 1 62 LYS H . . 5.110 4.975 4.778 5.111 0.001 7 0 "[ . 1 . 2]" 1 1181 1 60 GLU QB 1 61 GLY H . . 4.050 2.677 2.413 3.741 . 0 0 "[ . 1 . 2]" 1 1182 1 60 GLU QB 1 62 LYS H . . 4.010 3.009 2.701 3.605 . 0 0 "[ . 1 . 2]" 1 1183 1 60 GLU QB 1 62 LYS QB . . 4.570 3.579 3.094 3.897 . 0 0 "[ . 1 . 2]" 1 1184 1 60 GLU QB 1 62 LYS QG . . 4.360 3.307 2.296 4.259 . 0 0 "[ . 1 . 2]" 1 1185 1 60 GLU HB2 1 62 LYS H . . 4.600 3.184 2.776 3.818 . 0 0 "[ . 1 . 2]" 1 1186 1 60 GLU HB3 1 62 LYS H . . 4.600 3.760 3.428 4.429 . 0 0 "[ . 1 . 2]" 1 1187 1 61 GLY H 1 62 LYS H . . 3.360 2.227 1.852 3.037 . 0 0 "[ . 1 . 2]" 1 1188 1 61 GLY H 1 62 LYS QG . . 5.500 4.327 3.312 5.280 . 0 0 "[ . 1 . 2]" 1 1189 1 61 GLY QA 1 62 LYS H . . 3.290 2.801 2.657 2.918 . 0 0 "[ . 1 . 2]" 1 1190 1 61 GLY QA 1 62 LYS QG . . 5.090 4.328 3.929 5.076 . 0 0 "[ . 1 . 2]" 1 1191 1 62 LYS H 1 62 LYS HB2 . . 3.750 2.601 2.218 3.723 . 0 0 "[ . 1 . 2]" 1 1192 1 62 LYS H 1 62 LYS QB . . 3.040 2.425 2.196 2.889 . 0 0 "[ . 1 . 2]" 1 1193 1 62 LYS H 1 62 LYS HB3 . . 3.750 3.469 2.549 3.750 . 0 0 "[ . 1 . 2]" 1 1194 1 62 LYS H 1 62 LYS QD . . 5.490 3.687 2.064 4.468 . 0 0 "[ . 1 . 2]" 1 1195 1 62 LYS H 1 62 LYS QE . . 5.500 4.493 2.948 5.488 . 0 0 "[ . 1 . 2]" 1 1196 1 62 LYS H 1 62 LYS QG . . 3.630 2.696 1.904 3.536 . 0 0 "[ . 1 . 2]" 1 1197 1 62 LYS H 1 63 PRO QD . . 4.950 4.348 4.295 4.379 . 0 0 "[ . 1 . 2]" 1 1198 1 62 LYS HA 1 62 LYS QD . . 4.190 3.051 2.024 4.190 . 19 0 "[ . 1 . 2]" 1 1199 1 62 LYS HA 1 62 LYS QG . . 3.980 2.628 2.183 3.433 . 0 0 "[ . 1 . 2]" 1 1200 1 62 LYS HA 1 63 PRO HD2 . . 3.100 2.317 2.234 2.521 . 0 0 "[ . 1 . 2]" 1 1201 1 62 LYS HA 1 63 PRO QD . . 2.710 2.046 2.001 2.164 . 0 0 "[ . 1 . 2]" 1 1202 1 62 LYS HA 1 63 PRO HD3 . . 3.100 2.279 2.258 2.356 . 0 0 "[ . 1 . 2]" 1 1203 1 62 LYS HA 1 63 PRO QG . . 4.870 3.953 3.904 4.081 . 0 0 "[ . 1 . 2]" 1 1204 1 62 LYS QB 1 63 PRO QD . . 3.330 2.228 1.970 2.452 . 0 0 "[ . 1 . 2]" 1 1205 1 62 LYS QD 1 63 PRO QD . . 4.540 3.169 2.002 4.496 . 0 0 "[ . 1 . 2]" 1 1206 1 62 LYS QG 1 63 PRO HD2 . . 4.900 3.472 2.335 4.070 . 0 0 "[ . 1 . 2]" 1 1207 1 62 LYS QG 1 63 PRO QD . . 4.130 3.324 2.289 3.875 . 0 0 "[ . 1 . 2]" 1 1208 1 62 LYS QG 1 63 PRO HD3 . . 4.900 4.264 3.223 4.952 0.052 11 0 "[ . 1 . 2]" 1 1209 1 63 PRO HA 1 64 PRO HD2 . . 3.210 2.230 1.923 2.524 . 0 0 "[ . 1 . 2]" 1 1210 1 63 PRO HA 1 64 PRO HD3 . . 3.200 2.302 2.262 2.472 . 0 0 "[ . 1 . 2]" 1 1211 1 63 PRO HA 1 64 PRO QG . . 4.720 3.913 3.776 4.087 . 0 0 "[ . 1 . 2]" 1 1212 1 63 PRO QB 1 64 PRO HD2 . . 3.540 2.623 2.036 3.444 . 0 0 "[ . 1 . 2]" 1 1213 1 63 PRO HB2 1 64 PRO HD2 . . 4.050 2.821 2.100 3.868 . 0 0 "[ . 1 . 2]" 1 1214 1 63 PRO HB3 1 64 PRO HD2 . . 4.050 3.149 2.735 3.863 . 0 0 "[ . 1 . 2]" 1 1215 1 64 PRO HA 1 65 GLU H . . 2.980 2.565 2.180 2.739 . 0 0 "[ . 1 . 2]" 1 1216 1 64 PRO HA 1 65 GLU HA . . 5.460 4.353 4.320 4.438 . 0 0 "[ . 1 . 2]" 1 1217 1 64 PRO HB2 1 65 GLU H . . 4.250 2.412 1.873 3.968 . 0 0 "[ . 1 . 2]" 1 1218 1 64 PRO HB3 1 65 GLU H . . 4.250 3.413 3.137 4.314 0.064 14 0 "[ . 1 . 2]" 1 1219 1 64 PRO HD2 1 65 GLU H . . 5.460 5.352 5.249 5.442 . 0 0 "[ . 1 . 2]" 1 1220 1 64 PRO HD2 1 66 ALA HA . . 5.150 5.074 4.662 5.228 0.078 14 0 "[ . 1 . 2]" 1 1221 1 64 PRO HD2 1 66 ALA MB . . 4.130 3.883 3.063 4.137 0.007 9 0 "[ . 1 . 2]" 1 1222 1 64 PRO QG 1 66 ALA H . . 5.430 3.401 2.616 4.988 . 0 0 "[ . 1 . 2]" 1 1223 1 64 PRO QG 1 66 ALA HA . . 5.300 3.780 3.332 4.792 . 0 0 "[ . 1 . 2]" 1 1224 1 65 GLU H 1 65 GLU QB . . 3.640 2.502 2.173 3.196 . 0 0 "[ . 1 . 2]" 1 1225 1 65 GLU H 1 65 GLU QG . . 4.620 2.894 1.872 4.194 . 0 0 "[ . 1 . 2]" 1 1226 1 65 GLU HA 1 66 ALA MB . . 4.700 4.155 3.953 4.589 . 0 0 "[ . 1 . 2]" 1 1227 1 65 GLU HB2 1 66 ALA H . . 4.980 3.808 2.486 4.461 . 0 0 "[ . 1 . 2]" 1 1228 1 65 GLU HB3 1 66 ALA H . . 4.980 3.836 2.521 4.461 . 0 0 "[ . 1 . 2]" 1 1229 1 65 GLU QG 1 66 ALA H . . 5.500 4.254 1.886 4.990 . 0 0 "[ . 1 . 2]" 1 1230 1 66 ALA H 1 66 ALA MB . . 3.560 2.475 2.034 2.946 . 0 0 "[ . 1 . 2]" 1 1231 1 66 ALA H 1 67 PRO QG . . 5.500 4.345 3.897 5.616 0.116 16 0 "[ . 1 . 2]" 1 1232 1 66 ALA MB 1 67 PRO QD . . 4.260 2.813 1.737 3.544 . 0 0 "[ . 1 . 2]" 1 1233 1 67 PRO HA 1 68 LYS HA . . 5.500 4.601 4.304 5.368 . 0 0 "[ . 1 . 2]" 1 1234 1 67 PRO QB 1 68 LYS H . . 3.930 2.940 2.009 3.781 . 0 0 "[ . 1 . 2]" 1 1235 1 67 PRO HB2 1 68 LYS H . . 4.520 3.060 2.031 4.106 . 0 0 "[ . 1 . 2]" 1 1236 1 67 PRO HB3 1 68 LYS H . . 4.520 3.884 3.192 4.508 . 0 0 "[ . 1 . 2]" 1 1237 1 68 LYS HA 1 68 LYS QD . . 4.850 3.175 2.008 4.459 . 0 0 "[ . 1 . 2]" 1 1238 1 70 LYS H 1 70 LYS QG . . 4.930 3.181 1.954 4.317 . 0 0 "[ . 1 . 2]" 1 stop_ save_
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