NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
414505 | 2ctf | 11140 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2ctf 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 1452 _Distance_constraint_stats_list.Viol_count 263 _Distance_constraint_stats_list.Viol_total 56.169 _Distance_constraint_stats_list.Viol_max 0.147 _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 0.0107 _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 8 GLU 0.000 0.000 . 0 "[ . 1 . 2]" 1 9 PRO 0.015 0.015 4 0 "[ . 1 . 2]" 1 10 GLU 0.015 0.015 4 0 "[ . 1 . 2]" 1 11 LYS 0.000 0.000 . 0 "[ . 1 . 2]" 1 12 LEU 0.000 0.000 . 0 "[ . 1 . 2]" 1 14 GLN 0.000 0.000 . 0 "[ . 1 . 2]" 1 15 ALA 0.000 0.000 . 0 "[ . 1 . 2]" 1 16 LEU 0.017 0.009 12 0 "[ . 1 . 2]" 1 17 THR 0.000 0.000 . 0 "[ . 1 . 2]" 1 18 GLU 0.333 0.100 15 0 "[ . 1 . 2]" 1 19 VAL 0.421 0.076 13 0 "[ . 1 . 2]" 1 20 TYR 0.311 0.141 19 0 "[ . 1 . 2]" 1 21 ALA 0.028 0.015 12 0 "[ . 1 . 2]" 1 22 LYS 0.042 0.042 7 0 "[ . 1 . 2]" 1 23 ALA 0.000 0.000 . 0 "[ . 1 . 2]" 1 24 ASN 0.000 0.000 . 0 "[ . 1 . 2]" 1 25 SER 0.000 0.000 . 0 "[ . 1 . 2]" 1 26 PHE 0.059 0.042 20 0 "[ . 1 . 2]" 1 27 THR 0.036 0.019 14 0 "[ . 1 . 2]" 1 28 VAL 0.006 0.006 20 0 "[ . 1 . 2]" 1 29 SER 0.001 0.001 16 0 "[ . 1 . 2]" 1 30 SER 0.001 0.001 19 0 "[ . 1 . 2]" 1 31 VAL 0.050 0.008 14 0 "[ . 1 . 2]" 1 32 ALA 0.024 0.005 5 0 "[ . 1 . 2]" 1 33 ALA 0.072 0.008 14 0 "[ . 1 . 2]" 1 34 PRO 0.033 0.007 17 0 "[ . 1 . 2]" 1 35 SER 0.000 0.000 . 0 "[ . 1 . 2]" 1 36 TRP 0.031 0.007 17 0 "[ . 1 . 2]" 1 37 LEU 0.071 0.006 17 0 "[ . 1 . 2]" 1 38 HIS 0.009 0.005 6 0 "[ . 1 . 2]" 1 39 ARG 0.065 0.024 12 0 "[ . 1 . 2]" 1 40 PHE 0.007 0.005 6 0 "[ . 1 . 2]" 1 41 ILE 0.103 0.025 18 0 "[ . 1 . 2]" 1 42 ILE 0.006 0.003 13 0 "[ . 1 . 2]" 1 43 GLY 0.002 0.002 7 0 "[ . 1 . 2]" 1 44 LYS 0.032 0.032 14 0 "[ . 1 . 2]" 1 45 LYS 0.000 0.000 . 0 "[ . 1 . 2]" 1 46 GLY 0.000 0.000 . 0 "[ . 1 . 2]" 1 47 GLN 0.000 0.000 . 0 "[ . 1 . 2]" 1 48 ASN 0.000 0.000 . 0 "[ . 1 . 2]" 1 49 LEU 0.008 0.003 13 0 "[ . 1 . 2]" 1 50 ALA 0.002 0.001 7 0 "[ . 1 . 2]" 1 51 LYS 0.192 0.029 7 0 "[ . 1 . 2]" 1 52 ILE 0.195 0.029 7 0 "[ . 1 . 2]" 1 53 THR 0.003 0.002 12 0 "[ . 1 . 2]" 1 54 GLN 0.004 0.002 12 0 "[ . 1 . 2]" 1 55 GLN 0.038 0.026 7 0 "[ . 1 . 2]" 1 56 MET 0.116 0.044 5 0 "[ . 1 . 2]" 1 57 PRO 0.002 0.001 11 0 "[ . 1 . 2]" 1 58 LYS 0.237 0.049 15 0 "[ . 1 . 2]" 1 59 VAL 0.027 0.012 15 0 "[ . 1 . 2]" 1 60 HIS 0.020 0.005 5 0 "[ . 1 . 2]" 1 61 ILE 0.008 0.003 14 0 "[ . 1 . 2]" 1 62 GLU 0.016 0.007 12 0 "[ . 1 . 2]" 1 63 PHE 0.002 0.001 8 0 "[ . 1 . 2]" 1 64 THR 0.045 0.031 18 0 "[ . 1 . 2]" 1 65 GLU 0.000 0.000 . 0 "[ . 1 . 2]" 1 66 GLY 0.000 0.000 . 0 "[ . 1 . 2]" 1 67 GLU 0.034 0.030 15 0 "[ . 1 . 2]" 1 68 ASP 0.037 0.030 15 0 "[ . 1 . 2]" 1 69 LYS 0.052 0.031 18 0 "[ . 1 . 2]" 1 70 ILE 0.037 0.008 14 0 "[ . 1 . 2]" 1 71 THR 0.008 0.005 12 0 "[ . 1 . 2]" 1 72 LEU 0.011 0.004 4 0 "[ . 1 . 2]" 1 73 GLU 0.102 0.042 20 0 "[ . 1 . 2]" 1 74 GLY 0.052 0.019 14 0 "[ . 1 . 2]" 1 75 PRO 0.022 0.009 14 0 "[ . 1 . 2]" 1 76 THR 0.002 0.001 7 0 "[ . 1 . 2]" 1 77 GLU 0.002 0.001 7 0 "[ . 1 . 2]" 1 78 ASP 0.019 0.009 14 0 "[ . 1 . 2]" 1 79 VAL 0.001 0.000 14 0 "[ . 1 . 2]" 1 80 SER 0.005 0.004 20 0 "[ . 1 . 2]" 1 81 VAL 0.000 0.000 13 0 "[ . 1 . 2]" 1 82 ALA 0.003 0.001 2 0 "[ . 1 . 2]" 1 83 GLN 0.019 0.007 3 0 "[ . 1 . 2]" 1 84 GLU 0.000 0.000 . 0 "[ . 1 . 2]" 1 85 GLN 0.003 0.003 5 0 "[ . 1 . 2]" 1 86 ILE 0.003 0.002 12 0 "[ . 1 . 2]" 1 87 GLU 0.012 0.008 14 0 "[ . 1 . 2]" 1 88 GLY 0.000 0.000 . 0 "[ . 1 . 2]" 1 89 MET 0.129 0.060 9 0 "[ . 1 . 2]" 1 90 VAL 0.023 0.011 14 0 "[ . 1 . 2]" 1 91 LYS 0.207 0.062 19 0 "[ . 1 . 2]" 1 92 ASP 0.000 0.000 . 0 "[ . 1 . 2]" 1 93 LEU 0.001 0.001 9 0 "[ . 1 . 2]" 1 94 ILE 0.000 0.000 8 0 "[ . 1 . 2]" 1 95 ASN 0.004 0.004 17 0 "[ . 1 . 2]" 1 96 ARG 0.288 0.147 17 0 "[ . 1 . 2]" 1 97 SER 0.000 0.000 . 0 "[ . 1 . 2]" 1 98 GLY 0.000 0.000 . 0 "[ . 1 . 2]" 1 99 PRO 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 8 GLU H 1 8 GLU QB . . 3.590 2.706 2.273 3.297 . 0 0 "[ . 1 . 2]" 1 2 1 8 GLU H 1 8 GLU QG . . 4.380 2.807 1.883 4.321 . 0 0 "[ . 1 . 2]" 1 3 1 8 GLU HA 1 9 PRO HD2 . . 3.440 2.166 1.934 2.361 . 0 0 "[ . 1 . 2]" 1 4 1 8 GLU HA 1 9 PRO QD . . 2.940 2.019 1.888 2.308 . 0 0 "[ . 1 . 2]" 1 5 1 8 GLU HA 1 9 PRO HD3 . . 3.440 2.546 2.251 3.251 . 0 0 "[ . 1 . 2]" 1 6 1 8 GLU HA 1 9 PRO QG . . 4.520 3.911 3.803 4.127 . 0 0 "[ . 1 . 2]" 1 7 1 8 GLU QB 1 9 PRO QD . . 3.930 2.957 2.152 3.797 . 0 0 "[ . 1 . 2]" 1 8 1 9 PRO HA 1 10 GLU H . . 3.160 2.525 2.352 2.659 . 0 0 "[ . 1 . 2]" 1 9 1 9 PRO QB 1 10 GLU H . . 3.460 2.281 2.010 2.653 . 0 0 "[ . 1 . 2]" 1 10 1 9 PRO HB2 1 10 GLU H . . 4.150 2.326 2.032 2.743 . 0 0 "[ . 1 . 2]" 1 11 1 9 PRO HB3 1 10 GLU H . . 4.150 3.320 3.194 3.524 . 0 0 "[ . 1 . 2]" 1 12 1 9 PRO QD 1 10 GLU H . . 4.960 4.873 4.774 4.975 0.015 4 0 "[ . 1 . 2]" 1 13 1 9 PRO QG 1 10 GLU H . . 4.390 3.954 3.718 4.254 . 0 0 "[ . 1 . 2]" 1 14 1 10 GLU H 1 10 GLU QB . . 3.340 2.758 2.306 3.336 . 0 0 "[ . 1 . 2]" 1 15 1 10 GLU H 1 11 LYS H . . 4.660 4.330 3.906 4.620 . 0 0 "[ . 1 . 2]" 1 16 1 10 GLU HA 1 11 LYS H . . 3.230 2.247 2.137 2.554 . 0 0 "[ . 1 . 2]" 1 17 1 10 GLU QB 1 11 LYS H . . 3.930 3.006 2.080 3.906 . 0 0 "[ . 1 . 2]" 1 18 1 11 LYS H 1 11 LYS QB . . 3.510 2.744 2.296 3.342 . 0 0 "[ . 1 . 2]" 1 19 1 11 LYS HA 1 12 LEU H . . 3.170 2.270 2.141 2.819 . 0 0 "[ . 1 . 2]" 1 20 1 11 LYS QB 1 11 LYS QE . . 4.410 2.938 2.013 3.770 . 0 0 "[ . 1 . 2]" 1 21 1 11 LYS QB 1 12 LEU H . . 4.440 3.318 2.528 3.901 . 0 0 "[ . 1 . 2]" 1 22 1 11 LYS QE 1 11 LYS QG . . 3.340 2.208 2.098 2.473 . 0 0 "[ . 1 . 2]" 1 23 1 12 LEU H 1 12 LEU QD . . 5.120 2.991 1.847 3.745 . 0 0 "[ . 1 . 2]" 1 24 1 12 LEU H 1 12 LEU HG . . 3.400 2.842 2.009 3.393 . 0 0 "[ . 1 . 2]" 1 25 1 12 LEU HA 1 12 LEU MD1 . . 4.510 3.845 3.425 4.102 . 0 0 "[ . 1 . 2]" 1 26 1 12 LEU HA 1 12 LEU QD . . 3.920 2.836 2.050 3.388 . 0 0 "[ . 1 . 2]" 1 27 1 12 LEU HA 1 12 LEU MD2 . . 4.510 3.087 2.058 4.073 . 0 0 "[ . 1 . 2]" 1 28 1 12 LEU HA 1 12 LEU HG . . 3.920 3.276 2.553 3.729 . 0 0 "[ . 1 . 2]" 1 29 1 14 GLN HB2 1 15 ALA H . . 5.310 3.886 2.594 4.572 . 0 0 "[ . 1 . 2]" 1 30 1 14 GLN HB3 1 15 ALA H . . 5.310 3.601 2.182 4.395 . 0 0 "[ . 1 . 2]" 1 31 1 15 ALA HA 1 16 LEU H . . 3.120 2.339 2.141 2.811 . 0 0 "[ . 1 . 2]" 1 32 1 15 ALA MB 1 16 LEU H . . 3.980 3.036 2.410 3.694 . 0 0 "[ . 1 . 2]" 1 33 1 16 LEU H 1 16 LEU HB2 . . 3.890 3.101 2.342 3.886 . 0 0 "[ . 1 . 2]" 1 34 1 16 LEU H 1 16 LEU QB . . 3.200 2.661 2.313 3.207 0.007 12 0 "[ . 1 . 2]" 1 35 1 16 LEU H 1 16 LEU HB3 . . 3.890 3.349 2.463 3.899 0.009 12 0 "[ . 1 . 2]" 1 36 1 16 LEU H 1 16 LEU QD . . 4.730 2.922 1.814 3.602 . 0 0 "[ . 1 . 2]" 1 37 1 16 LEU H 1 16 LEU HG . . 3.300 2.675 1.887 3.286 . 0 0 "[ . 1 . 2]" 1 38 1 16 LEU H 1 17 THR H . . 4.720 3.980 3.050 4.630 . 0 0 "[ . 1 . 2]" 1 39 1 16 LEU HA 1 16 LEU QD . . 4.260 2.809 2.119 3.430 . 0 0 "[ . 1 . 2]" 1 40 1 16 LEU HA 1 16 LEU HG . . 4.270 3.242 2.449 3.740 . 0 0 "[ . 1 . 2]" 1 41 1 16 LEU HA 1 17 THR H . . 3.350 2.350 2.149 2.792 . 0 0 "[ . 1 . 2]" 1 42 1 16 LEU QB 1 17 THR H . . 4.360 3.423 2.365 3.989 . 0 0 "[ . 1 . 2]" 1 43 1 16 LEU QD 1 17 THR H . . 4.860 3.895 3.102 4.566 . 0 0 "[ . 1 . 2]" 1 44 1 17 THR H 1 17 THR HB . . 3.980 3.673 2.573 3.916 . 0 0 "[ . 1 . 2]" 1 45 1 17 THR H 1 17 THR MG . . 4.050 3.029 2.308 3.777 . 0 0 "[ . 1 . 2]" 1 46 1 17 THR H 1 18 GLU H . . 5.050 4.323 2.566 4.647 . 0 0 "[ . 1 . 2]" 1 47 1 17 THR HA 1 17 THR MG . . 3.360 2.298 2.193 2.434 . 0 0 "[ . 1 . 2]" 1 48 1 17 THR HA 1 18 GLU H . . 3.320 2.346 2.142 3.315 . 0 0 "[ . 1 . 2]" 1 49 1 17 THR HB 1 18 GLU H . . 3.500 2.849 2.132 3.473 . 0 0 "[ . 1 . 2]" 1 50 1 17 THR MG 1 18 GLU H . . 4.960 3.666 1.828 4.060 . 0 0 "[ . 1 . 2]" 1 51 1 18 GLU H 1 18 GLU QB . . 3.460 2.691 2.192 3.398 . 0 0 "[ . 1 . 2]" 1 52 1 18 GLU H 1 18 GLU HG2 . . 4.650 3.516 2.076 4.651 0.001 12 0 "[ . 1 . 2]" 1 53 1 18 GLU H 1 18 GLU QG . . 3.980 2.980 2.058 3.978 . 0 0 "[ . 1 . 2]" 1 54 1 18 GLU H 1 18 GLU HG3 . . 4.650 3.640 2.504 4.448 . 0 0 "[ . 1 . 2]" 1 55 1 18 GLU H 1 19 VAL H . . 4.590 3.918 2.568 4.641 0.051 13 0 "[ . 1 . 2]" 1 56 1 18 GLU HA 1 18 GLU HG2 . . 4.130 3.275 2.360 4.155 0.025 2 0 "[ . 1 . 2]" 1 57 1 18 GLU HA 1 18 GLU HG3 . . 4.130 3.361 2.231 4.230 0.100 15 0 "[ . 1 . 2]" 1 58 1 18 GLU HA 1 19 VAL H . . 2.980 2.336 2.139 2.969 . 0 0 "[ . 1 . 2]" 1 59 1 18 GLU QB 1 19 VAL H . . 4.100 3.439 1.933 4.044 . 0 0 "[ . 1 . 2]" 1 60 1 19 VAL H 1 19 VAL HB . . 3.790 3.257 2.489 3.790 . 0 0 "[ . 1 . 2]" 1 61 1 19 VAL H 1 19 VAL MG1 . . 3.740 2.876 1.875 3.816 0.076 13 0 "[ . 1 . 2]" 1 62 1 19 VAL H 1 19 VAL QG . . 3.130 1.993 1.841 2.370 . 0 0 "[ . 1 . 2]" 1 63 1 19 VAL H 1 19 VAL MG2 . . 3.740 2.244 1.864 3.763 0.023 10 0 "[ . 1 . 2]" 1 64 1 19 VAL HA 1 19 VAL MG1 . . 3.650 2.355 2.058 3.195 . 0 0 "[ . 1 . 2]" 1 65 1 19 VAL HA 1 19 VAL MG2 . . 3.650 2.875 2.212 3.202 . 0 0 "[ . 1 . 2]" 1 66 1 19 VAL HA 1 20 TYR H . . 3.090 2.428 2.152 3.131 0.041 13 0 "[ . 1 . 2]" 1 67 1 19 VAL HB 1 20 TYR H . . 3.780 3.041 2.136 3.806 0.026 13 0 "[ . 1 . 2]" 1 68 1 19 VAL HB 1 20 TYR QD . . 5.200 4.792 3.955 5.159 . 0 0 "[ . 1 . 2]" 1 69 1 19 VAL QG 1 20 TYR H . . 4.180 2.873 1.768 3.715 . 0 0 "[ . 1 . 2]" 1 70 1 20 TYR H 1 20 TYR HB2 . . 3.860 3.642 2.472 3.866 0.006 4 0 "[ . 1 . 2]" 1 71 1 20 TYR H 1 20 TYR QB . . 3.390 3.001 2.328 3.316 . 0 0 "[ . 1 . 2]" 1 72 1 20 TYR H 1 20 TYR HB3 . . 3.860 3.222 2.841 3.615 . 0 0 "[ . 1 . 2]" 1 73 1 20 TYR H 1 20 TYR QD . . 4.230 2.745 1.998 4.371 0.141 19 0 "[ . 1 . 2]" 1 74 1 20 TYR H 1 21 ALA HA . . 4.950 4.813 4.454 4.945 . 0 0 "[ . 1 . 2]" 1 75 1 20 TYR HA 1 20 TYR QD . . 3.750 3.555 1.986 3.735 . 0 0 "[ . 1 . 2]" 1 76 1 20 TYR HA 1 21 ALA H . . 3.340 2.563 2.143 3.346 0.006 11 0 "[ . 1 . 2]" 1 77 1 20 TYR QB 1 21 ALA H . . 3.940 3.268 2.230 3.941 0.001 14 0 "[ . 1 . 2]" 1 78 1 20 TYR HB2 1 21 ALA H . . 4.550 3.536 2.249 4.433 . 0 0 "[ . 1 . 2]" 1 79 1 20 TYR HB3 1 21 ALA H . . 4.550 4.090 2.916 4.565 0.015 12 0 "[ . 1 . 2]" 1 80 1 20 TYR QD 1 21 ALA HA . . 4.560 4.020 3.031 4.566 0.006 19 0 "[ . 1 . 2]" 1 81 1 20 TYR QD 1 21 ALA MB . . 5.160 4.666 2.526 5.149 . 0 0 "[ . 1 . 2]" 1 82 1 21 ALA H 1 21 ALA MB . . 3.390 2.522 2.101 2.884 . 0 0 "[ . 1 . 2]" 1 83 1 21 ALA HA 1 22 LYS H . . 3.300 2.413 2.141 2.869 . 0 0 "[ . 1 . 2]" 1 84 1 21 ALA MB 1 22 LYS H . . 3.970 3.073 1.953 3.711 . 0 0 "[ . 1 . 2]" 1 85 1 22 LYS H 1 22 LYS QB . . 3.510 2.684 2.253 3.355 . 0 0 "[ . 1 . 2]" 1 86 1 22 LYS H 1 22 LYS QG . . 4.600 3.050 2.076 4.138 . 0 0 "[ . 1 . 2]" 1 87 1 22 LYS HA 1 22 LYS QD . . 4.300 3.453 2.047 4.342 0.042 7 0 "[ . 1 . 2]" 1 88 1 23 ALA MB 1 24 ASN H . . 5.030 3.195 2.210 3.711 . 0 0 "[ . 1 . 2]" 1 89 1 24 ASN HA 1 24 ASN HD21 . . 3.560 2.228 2.014 2.622 . 0 0 "[ . 1 . 2]" 1 90 1 24 ASN HA 1 24 ASN QD . . 2.960 2.200 1.998 2.558 . 0 0 "[ . 1 . 2]" 1 91 1 24 ASN HA 1 24 ASN HD22 . . 3.560 3.460 3.331 3.556 . 0 0 "[ . 1 . 2]" 1 92 1 24 ASN QB 1 24 ASN QD . . 3.080 2.441 2.348 2.564 . 0 0 "[ . 1 . 2]" 1 93 1 25 SER QB 1 26 PHE H . . 4.610 2.965 2.183 3.909 . 0 0 "[ . 1 . 2]" 1 94 1 26 PHE H 1 26 PHE QB . . 3.920 2.363 2.136 2.942 . 0 0 "[ . 1 . 2]" 1 95 1 26 PHE HA 1 26 PHE QD . . 4.260 2.330 2.018 3.676 . 0 0 "[ . 1 . 2]" 1 96 1 26 PHE HA 1 27 THR H . . 3.060 2.177 2.137 2.655 . 0 0 "[ . 1 . 2]" 1 97 1 26 PHE HA 1 27 THR HB . . 4.700 4.554 4.406 4.629 . 0 0 "[ . 1 . 2]" 1 98 1 26 PHE QB 1 27 THR H . . 3.840 3.642 1.947 3.840 0.000 15 0 "[ . 1 . 2]" 1 99 1 26 PHE QD 1 27 THR H . . 4.670 3.128 2.033 3.730 . 0 0 "[ . 1 . 2]" 1 100 1 26 PHE QD 1 27 THR HA . . 5.250 4.556 3.199 5.153 . 0 0 "[ . 1 . 2]" 1 101 1 26 PHE QD 1 28 VAL MG2 . . 3.840 2.844 2.088 3.580 . 0 0 "[ . 1 . 2]" 1 102 1 26 PHE QD 1 73 GLU QG . . 4.730 4.159 3.349 4.733 0.003 10 0 "[ . 1 . 2]" 1 103 1 26 PHE QD 1 74 GLY H . . 4.840 3.837 2.789 4.291 . 0 0 "[ . 1 . 2]" 1 104 1 26 PHE QD 1 74 GLY HA2 . . 4.430 3.542 3.193 4.035 . 0 0 "[ . 1 . 2]" 1 105 1 26 PHE QD 1 74 GLY HA3 . . 5.150 5.036 4.798 5.150 0.000 2 0 "[ . 1 . 2]" 1 106 1 26 PHE QD 1 75 PRO HA . . 5.500 4.787 3.922 5.108 . 0 0 "[ . 1 . 2]" 1 107 1 26 PHE QE 1 28 VAL MG2 . . 4.340 2.647 1.812 3.075 . 0 0 "[ . 1 . 2]" 1 108 1 26 PHE QE 1 73 GLU QG . . 4.670 2.606 1.776 3.385 . 0 0 "[ . 1 . 2]" 1 109 1 26 PHE QE 1 74 GLY HA2 . . 4.790 2.881 2.068 4.699 . 0 0 "[ . 1 . 2]" 1 110 1 26 PHE HZ 1 73 GLU HB2 . . 4.800 3.687 3.057 4.667 . 0 0 "[ . 1 . 2]" 1 111 1 26 PHE HZ 1 73 GLU HB3 . . 4.800 3.279 2.024 4.842 0.042 20 0 "[ . 1 . 2]" 1 112 1 26 PHE HZ 1 73 GLU QG . . 4.680 3.146 1.947 4.408 . 0 0 "[ . 1 . 2]" 1 113 1 26 PHE HZ 1 74 GLY H . . 5.050 4.290 3.382 5.060 0.010 20 0 "[ . 1 . 2]" 1 114 1 27 THR H 1 27 THR HB . . 3.780 2.607 2.439 2.713 . 0 0 "[ . 1 . 2]" 1 115 1 27 THR H 1 27 THR MG . . 4.010 3.815 3.709 3.867 . 0 0 "[ . 1 . 2]" 1 116 1 27 THR H 1 28 VAL H . . 4.920 4.348 4.246 4.526 . 0 0 "[ . 1 . 2]" 1 117 1 27 THR H 1 73 GLU HA . . 5.450 5.081 4.819 5.428 . 0 0 "[ . 1 . 2]" 1 118 1 27 THR H 1 74 GLY H . . 3.590 3.274 3.016 3.609 0.019 14 0 "[ . 1 . 2]" 1 119 1 27 THR H 1 75 PRO HA . . 4.230 3.214 2.860 3.653 . 0 0 "[ . 1 . 2]" 1 120 1 27 THR H 1 76 THR H . . 4.310 3.819 3.041 4.190 . 0 0 "[ . 1 . 2]" 1 121 1 27 THR H 1 79 VAL MG2 . . 4.420 3.760 3.512 4.088 . 0 0 "[ . 1 . 2]" 1 122 1 27 THR HA 1 28 VAL H . . 3.380 2.162 2.141 2.290 . 0 0 "[ . 1 . 2]" 1 123 1 27 THR HB 1 28 VAL H . . 4.670 4.226 3.974 4.319 . 0 0 "[ . 1 . 2]" 1 124 1 27 THR HB 1 74 GLY H . . 4.780 4.254 3.908 4.788 0.008 20 0 "[ . 1 . 2]" 1 125 1 27 THR HB 1 75 PRO HA . . 4.840 3.453 3.058 3.778 . 0 0 "[ . 1 . 2]" 1 126 1 27 THR HB 1 76 THR HA . . 4.190 2.850 2.531 3.138 . 0 0 "[ . 1 . 2]" 1 127 1 27 THR HB 1 79 VAL HB . . 4.710 3.880 3.558 4.259 . 0 0 "[ . 1 . 2]" 1 128 1 27 THR HB 1 79 VAL MG1 . . 4.490 4.068 3.730 4.317 . 0 0 "[ . 1 . 2]" 1 129 1 27 THR HB 1 79 VAL MG2 . . 4.380 2.666 2.185 3.036 . 0 0 "[ . 1 . 2]" 1 130 1 27 THR MG 1 28 VAL H . . 3.920 2.572 1.874 2.809 . 0 0 "[ . 1 . 2]" 1 131 1 27 THR MG 1 28 VAL HA . . 4.770 3.515 3.324 3.853 . 0 0 "[ . 1 . 2]" 1 132 1 27 THR MG 1 29 SER H . . 4.020 3.586 3.370 3.833 . 0 0 "[ . 1 . 2]" 1 133 1 27 THR MG 1 29 SER QB . . 3.760 3.147 2.879 3.690 . 0 0 "[ . 1 . 2]" 1 134 1 27 THR MG 1 74 GLY H . . 4.680 4.544 4.253 4.660 . 0 0 "[ . 1 . 2]" 1 135 1 27 THR MG 1 76 THR H . . 4.490 3.677 3.272 4.024 . 0 0 "[ . 1 . 2]" 1 136 1 27 THR MG 1 76 THR HA . . 3.350 2.686 2.237 3.141 . 0 0 "[ . 1 . 2]" 1 137 1 27 THR MG 1 79 VAL H . . 5.500 5.263 4.897 5.499 . 0 0 "[ . 1 . 2]" 1 138 1 27 THR MG 1 79 VAL HB . . 3.920 3.395 3.106 3.855 . 0 0 "[ . 1 . 2]" 1 139 1 27 THR MG 1 79 VAL MG1 . . 3.130 2.837 2.652 3.109 . 0 0 "[ . 1 . 2]" 1 140 1 27 THR MG 1 79 VAL MG2 . . 3.620 2.969 2.531 3.295 . 0 0 "[ . 1 . 2]" 1 141 1 28 VAL H 1 28 VAL HB . . 3.930 2.706 2.642 2.767 . 0 0 "[ . 1 . 2]" 1 142 1 28 VAL H 1 28 VAL MG1 . . 4.180 3.877 3.850 3.905 . 0 0 "[ . 1 . 2]" 1 143 1 28 VAL H 1 28 VAL MG2 . . 3.760 2.733 2.527 2.886 . 0 0 "[ . 1 . 2]" 1 144 1 28 VAL H 1 29 SER H . . 4.910 4.150 4.101 4.191 . 0 0 "[ . 1 . 2]" 1 145 1 28 VAL H 1 29 SER HA . . 4.960 4.896 4.778 4.955 . 0 0 "[ . 1 . 2]" 1 146 1 28 VAL HA 1 28 VAL MG1 . . 3.540 2.403 2.308 2.467 . 0 0 "[ . 1 . 2]" 1 147 1 28 VAL HA 1 28 VAL MG2 . . 3.570 2.402 2.295 2.516 . 0 0 "[ . 1 . 2]" 1 148 1 28 VAL HA 1 29 SER H . . 3.090 2.149 2.144 2.155 . 0 0 "[ . 1 . 2]" 1 149 1 28 VAL HA 1 72 LEU H . . 5.020 4.666 4.404 5.019 . 0 0 "[ . 1 . 2]" 1 150 1 28 VAL HA 1 73 GLU HA . . 3.880 2.526 2.362 2.654 . 0 0 "[ . 1 . 2]" 1 151 1 28 VAL HA 1 73 GLU QB . . 4.480 4.297 4.079 4.478 . 0 0 "[ . 1 . 2]" 1 152 1 28 VAL HA 1 73 GLU QG . . 4.710 3.881 3.307 4.707 . 0 0 "[ . 1 . 2]" 1 153 1 28 VAL HA 1 74 GLY H . . 4.110 3.429 3.301 3.583 . 0 0 "[ . 1 . 2]" 1 154 1 28 VAL HB 1 29 SER H . . 4.500 4.325 4.276 4.366 . 0 0 "[ . 1 . 2]" 1 155 1 28 VAL MG1 1 29 SER H . . 3.650 2.934 2.779 3.056 . 0 0 "[ . 1 . 2]" 1 156 1 28 VAL MG1 1 29 SER HA . . 4.150 3.636 3.475 3.899 . 0 0 "[ . 1 . 2]" 1 157 1 28 VAL MG1 1 30 SER H . . 5.100 4.915 4.690 5.089 . 0 0 "[ . 1 . 2]" 1 158 1 28 VAL MG1 1 73 GLU HA . . 4.500 2.975 2.617 3.308 . 0 0 "[ . 1 . 2]" 1 159 1 28 VAL MG1 1 73 GLU HB2 . . 4.610 3.696 2.658 4.587 . 0 0 "[ . 1 . 2]" 1 160 1 28 VAL MG1 1 73 GLU QB . . 3.800 3.308 2.629 3.796 . 0 0 "[ . 1 . 2]" 1 161 1 28 VAL MG1 1 73 GLU HB3 . . 4.610 4.142 3.677 4.540 . 0 0 "[ . 1 . 2]" 1 162 1 28 VAL MG2 1 29 SER H . . 4.310 4.179 4.095 4.276 . 0 0 "[ . 1 . 2]" 1 163 1 28 VAL MG2 1 73 GLU HA . . 4.200 2.483 2.184 2.933 . 0 0 "[ . 1 . 2]" 1 164 1 28 VAL MG2 1 73 GLU QB . . 3.190 2.917 2.672 3.154 . 0 0 "[ . 1 . 2]" 1 165 1 28 VAL MG2 1 73 GLU QG . . 3.370 2.247 1.815 3.376 0.006 20 0 "[ . 1 . 2]" 1 166 1 28 VAL MG2 1 74 GLY H . . 4.560 3.119 2.899 3.584 . 0 0 "[ . 1 . 2]" 1 167 1 29 SER H 1 29 SER QB . . 3.610 2.618 2.437 3.030 . 0 0 "[ . 1 . 2]" 1 168 1 29 SER H 1 30 SER H . . 4.780 4.467 4.444 4.528 . 0 0 "[ . 1 . 2]" 1 169 1 29 SER H 1 30 SER HA . . 5.180 4.870 4.794 5.041 . 0 0 "[ . 1 . 2]" 1 170 1 29 SER H 1 72 LEU H . . 4.040 3.496 3.286 3.727 . 0 0 "[ . 1 . 2]" 1 171 1 29 SER H 1 72 LEU QB . . 4.470 2.955 2.655 3.216 . 0 0 "[ . 1 . 2]" 1 172 1 29 SER H 1 73 GLU HA . . 4.260 3.940 3.799 4.127 . 0 0 "[ . 1 . 2]" 1 173 1 29 SER H 1 79 VAL MG1 . . 4.580 2.949 2.410 3.308 . 0 0 "[ . 1 . 2]" 1 174 1 29 SER HA 1 30 SER H . . 2.860 2.349 2.249 2.425 . 0 0 "[ . 1 . 2]" 1 175 1 29 SER QB 1 30 SER H . . 3.250 2.905 2.413 3.251 0.001 16 0 "[ . 1 . 2]" 1 176 1 29 SER QB 1 72 LEU QB . . 4.840 3.478 2.642 4.289 . 0 0 "[ . 1 . 2]" 1 177 1 29 SER QB 1 79 VAL MG1 . . 3.410 2.594 1.816 3.356 . 0 0 "[ . 1 . 2]" 1 178 1 29 SER HB2 1 30 SER H . . 4.110 3.767 2.782 4.067 . 0 0 "[ . 1 . 2]" 1 179 1 29 SER HB2 1 79 VAL MG1 . . 4.100 2.930 1.908 4.034 . 0 0 "[ . 1 . 2]" 1 180 1 29 SER HB3 1 30 SER H . . 4.110 3.189 2.443 4.099 . 0 0 "[ . 1 . 2]" 1 181 1 29 SER HB3 1 79 VAL MG1 . . 4.100 3.222 2.279 4.100 0.000 14 0 "[ . 1 . 2]" 1 182 1 30 SER H 1 30 SER HB2 . . 4.210 3.334 2.483 3.769 . 0 0 "[ . 1 . 2]" 1 183 1 30 SER H 1 30 SER QB . . 3.590 2.815 2.380 3.174 . 0 0 "[ . 1 . 2]" 1 184 1 30 SER H 1 30 SER HB3 . . 4.210 3.276 2.443 3.817 . 0 0 "[ . 1 . 2]" 1 185 1 30 SER H 1 31 VAL H . . 4.690 4.496 4.430 4.532 . 0 0 "[ . 1 . 2]" 1 186 1 30 SER H 1 31 VAL MG2 . . 4.890 4.484 4.200 4.691 . 0 0 "[ . 1 . 2]" 1 187 1 30 SER H 1 71 THR MG . . 5.300 5.023 4.341 5.289 . 0 0 "[ . 1 . 2]" 1 188 1 30 SER H 1 72 LEU H . . 5.170 4.693 4.460 4.870 . 0 0 "[ . 1 . 2]" 1 189 1 30 SER H 1 72 LEU MD2 . . 5.300 4.709 4.365 5.221 . 0 0 "[ . 1 . 2]" 1 190 1 30 SER HA 1 31 VAL H . . 3.080 2.306 2.230 2.328 . 0 0 "[ . 1 . 2]" 1 191 1 30 SER HA 1 31 VAL MG2 . . 4.770 3.576 3.394 3.803 . 0 0 "[ . 1 . 2]" 1 192 1 30 SER HA 1 70 ILE H . . 4.840 4.638 4.428 4.777 . 0 0 "[ . 1 . 2]" 1 193 1 30 SER HA 1 71 THR HA . . 3.620 2.416 2.174 2.639 . 0 0 "[ . 1 . 2]" 1 194 1 30 SER HA 1 71 THR MG . . 4.280 3.822 3.198 4.042 . 0 0 "[ . 1 . 2]" 1 195 1 30 SER HA 1 72 LEU H . . 4.140 2.878 2.601 3.179 . 0 0 "[ . 1 . 2]" 1 196 1 30 SER HA 1 72 LEU MD2 . . 4.450 2.676 2.397 3.243 . 0 0 "[ . 1 . 2]" 1 197 1 30 SER QB 1 31 VAL H . . 3.500 2.723 2.579 3.396 . 0 0 "[ . 1 . 2]" 1 198 1 30 SER QB 1 69 LYS QD . . 3.530 2.181 1.884 2.662 . 0 0 "[ . 1 . 2]" 1 199 1 30 SER QB 1 69 LYS QE . . 4.690 3.520 2.426 4.507 . 0 0 "[ . 1 . 2]" 1 200 1 30 SER QB 1 69 LYS QG . . 4.070 3.334 2.358 4.046 . 0 0 "[ . 1 . 2]" 1 201 1 30 SER QB 1 70 ILE H . . 4.750 3.880 3.548 4.686 . 0 0 "[ . 1 . 2]" 1 202 1 30 SER QB 1 71 THR HA . . 3.790 2.966 2.566 3.619 . 0 0 "[ . 1 . 2]" 1 203 1 30 SER HB2 1 31 VAL H . . 4.010 3.133 2.625 3.997 . 0 0 "[ . 1 . 2]" 1 204 1 30 SER HB2 1 69 LYS HB2 . . 4.800 3.626 2.851 4.763 . 0 0 "[ . 1 . 2]" 1 205 1 30 SER HB2 1 69 LYS QG . . 4.770 3.875 2.412 4.719 . 0 0 "[ . 1 . 2]" 1 206 1 30 SER HB2 1 70 ILE H . . 5.500 4.473 3.613 5.467 . 0 0 "[ . 1 . 2]" 1 207 1 30 SER HB2 1 71 THR HA . . 4.650 3.795 2.777 4.517 . 0 0 "[ . 1 . 2]" 1 208 1 30 SER HB3 1 31 VAL H . . 4.010 3.481 2.644 3.950 . 0 0 "[ . 1 . 2]" 1 209 1 30 SER HB3 1 69 LYS HB2 . . 4.800 4.157 2.858 4.801 0.001 19 0 "[ . 1 . 2]" 1 210 1 30 SER HB3 1 69 LYS QG . . 4.770 3.956 2.627 4.769 . 0 0 "[ . 1 . 2]" 1 211 1 30 SER HB3 1 70 ILE H . . 5.500 4.851 3.652 5.469 . 0 0 "[ . 1 . 2]" 1 212 1 30 SER HB3 1 71 THR HA . . 4.650 3.233 2.686 4.416 . 0 0 "[ . 1 . 2]" 1 213 1 31 VAL H 1 31 VAL HB . . 3.610 2.604 2.505 2.666 . 0 0 "[ . 1 . 2]" 1 214 1 31 VAL H 1 31 VAL MG1 . . 4.620 3.817 3.738 3.853 . 0 0 "[ . 1 . 2]" 1 215 1 31 VAL H 1 31 VAL MG2 . . 3.650 2.911 2.761 3.041 . 0 0 "[ . 1 . 2]" 1 216 1 31 VAL H 1 32 ALA H . . 4.490 4.300 4.202 4.479 . 0 0 "[ . 1 . 2]" 1 217 1 31 VAL H 1 69 LYS HA . . 5.020 4.940 4.805 5.023 0.003 17 0 "[ . 1 . 2]" 1 218 1 31 VAL H 1 69 LYS QD . . 4.570 4.253 3.567 4.571 0.001 11 0 "[ . 1 . 2]" 1 219 1 31 VAL H 1 70 ILE H . . 3.780 2.824 2.664 2.996 . 0 0 "[ . 1 . 2]" 1 220 1 31 VAL H 1 70 ILE HB . . 4.210 3.034 2.933 3.270 . 0 0 "[ . 1 . 2]" 1 221 1 31 VAL H 1 70 ILE MD . . 5.500 4.726 4.549 4.975 . 0 0 "[ . 1 . 2]" 1 222 1 31 VAL H 1 70 ILE MG . . 4.810 3.960 3.845 4.090 . 0 0 "[ . 1 . 2]" 1 223 1 31 VAL H 1 71 THR HA . . 4.200 3.824 3.708 3.989 . 0 0 "[ . 1 . 2]" 1 224 1 31 VAL H 1 72 LEU MD2 . . 4.640 3.104 2.771 3.663 . 0 0 "[ . 1 . 2]" 1 225 1 31 VAL HA 1 31 VAL MG1 . . 3.390 2.423 2.336 2.519 . 0 0 "[ . 1 . 2]" 1 226 1 31 VAL HA 1 31 VAL MG2 . . 3.330 2.321 2.225 2.392 . 0 0 "[ . 1 . 2]" 1 227 1 31 VAL HA 1 32 ALA H . . 2.830 2.150 2.140 2.232 . 0 0 "[ . 1 . 2]" 1 228 1 31 VAL HA 1 32 ALA MB . . 4.060 4.000 3.953 4.008 . 0 0 "[ . 1 . 2]" 1 229 1 31 VAL HB 1 32 ALA H . . 4.320 4.274 4.059 4.325 0.005 5 0 "[ . 1 . 2]" 1 230 1 31 VAL HB 1 33 ALA MB . . 4.600 3.817 3.628 4.056 . 0 0 "[ . 1 . 2]" 1 231 1 31 VAL HB 1 70 ILE H . . 4.630 3.660 3.496 3.923 . 0 0 "[ . 1 . 2]" 1 232 1 31 VAL HB 1 70 ILE HB . . 3.710 2.359 2.174 2.587 . 0 0 "[ . 1 . 2]" 1 233 1 31 VAL HB 1 70 ILE MD . . 4.310 3.228 3.038 3.479 . 0 0 "[ . 1 . 2]" 1 234 1 31 VAL HB 1 70 ILE MG . . 4.380 3.503 3.320 3.693 . 0 0 "[ . 1 . 2]" 1 235 1 31 VAL HB 1 72 LEU MD2 . . 4.120 3.072 2.694 3.488 . 0 0 "[ . 1 . 2]" 1 236 1 31 VAL HB 1 83 GLN HA . . 4.810 4.640 4.433 4.814 0.004 5 0 "[ . 1 . 2]" 1 237 1 31 VAL HB 1 86 ILE MG . . 4.200 3.764 3.494 4.059 . 0 0 "[ . 1 . 2]" 1 238 1 31 VAL MG1 1 32 ALA H . . 3.470 2.537 2.176 2.890 . 0 0 "[ . 1 . 2]" 1 239 1 31 VAL MG1 1 70 ILE HB . . 4.260 3.643 3.454 3.981 . 0 0 "[ . 1 . 2]" 1 240 1 31 VAL MG1 1 70 ILE MG . . 4.530 4.392 4.257 4.530 0.000 5 0 "[ . 1 . 2]" 1 241 1 31 VAL MG1 1 87 GLU H . . 4.840 3.765 3.264 4.029 . 0 0 "[ . 1 . 2]" 1 242 1 31 VAL MG1 1 87 GLU HA . . 3.700 3.176 2.748 3.402 . 0 0 "[ . 1 . 2]" 1 243 1 31 VAL MG1 1 87 GLU HG2 . . 3.550 2.015 1.821 2.227 . 0 0 "[ . 1 . 2]" 1 244 1 31 VAL MG1 1 87 GLU HG3 . . 4.010 2.580 2.103 3.280 . 0 0 "[ . 1 . 2]" 1 245 1 31 VAL MG1 1 90 VAL HB . . 4.490 4.400 4.198 4.495 0.005 14 0 "[ . 1 . 2]" 1 246 1 31 VAL MG2 1 70 ILE HB . . 4.310 3.678 3.445 3.879 . 0 0 "[ . 1 . 2]" 1 247 1 31 VAL MG2 1 72 LEU MD2 . . 3.080 2.297 1.914 2.553 . 0 0 "[ . 1 . 2]" 1 248 1 31 VAL MG2 1 83 GLN HA . . 3.980 2.612 2.366 2.801 . 0 0 "[ . 1 . 2]" 1 249 1 31 VAL MG2 1 83 GLN HB3 . . 4.630 3.238 3.084 3.413 . 0 0 "[ . 1 . 2]" 1 250 1 31 VAL MG2 1 83 GLN HE21 . . 4.260 3.208 2.911 3.683 . 0 0 "[ . 1 . 2]" 1 251 1 31 VAL MG2 1 83 GLN QE . . 3.720 3.065 2.796 3.447 . 0 0 "[ . 1 . 2]" 1 252 1 31 VAL MG2 1 83 GLN HE22 . . 4.260 3.904 3.609 4.153 . 0 0 "[ . 1 . 2]" 1 253 1 31 VAL MG2 1 83 GLN HG3 . . 3.650 3.542 3.264 3.631 . 0 0 "[ . 1 . 2]" 1 254 1 31 VAL MG2 1 86 ILE HB . . 3.910 3.551 3.194 3.785 . 0 0 "[ . 1 . 2]" 1 255 1 31 VAL MG2 1 87 GLU H . . 4.570 4.309 3.640 4.578 0.008 14 0 "[ . 1 . 2]" 1 256 1 31 VAL MG2 1 87 GLU HG2 . . 3.670 3.319 2.902 3.640 . 0 0 "[ . 1 . 2]" 1 257 1 31 VAL MG2 1 87 GLU HG3 . . 3.940 2.995 2.389 3.888 . 0 0 "[ . 1 . 2]" 1 258 1 32 ALA H 1 32 ALA MB . . 2.970 2.223 2.096 2.257 . 0 0 "[ . 1 . 2]" 1 259 1 32 ALA H 1 33 ALA H . . 4.460 4.358 4.262 4.460 0.000 20 0 "[ . 1 . 2]" 1 260 1 32 ALA HA 1 33 ALA H . . 2.850 2.166 2.142 2.200 . 0 0 "[ . 1 . 2]" 1 261 1 32 ALA HA 1 69 LYS HA . . 3.910 3.473 3.130 3.843 . 0 0 "[ . 1 . 2]" 1 262 1 32 ALA HA 1 69 LYS HB2 . . 4.800 3.322 2.989 3.705 . 0 0 "[ . 1 . 2]" 1 263 1 32 ALA HA 1 69 LYS HB3 . . 4.760 3.775 3.410 4.293 . 0 0 "[ . 1 . 2]" 1 264 1 32 ALA HA 1 70 ILE H . . 4.280 4.136 3.822 4.282 0.002 12 0 "[ . 1 . 2]" 1 265 1 32 ALA MB 1 33 ALA H . . 3.510 3.403 3.263 3.501 . 0 0 "[ . 1 . 2]" 1 266 1 33 ALA H 1 33 ALA MB . . 3.490 2.620 2.544 2.707 . 0 0 "[ . 1 . 2]" 1 267 1 33 ALA H 1 34 PRO HA . . 5.040 4.928 4.841 5.008 . 0 0 "[ . 1 . 2]" 1 268 1 33 ALA H 1 34 PRO HD2 . . 5.050 4.805 4.781 4.820 . 0 0 "[ . 1 . 2]" 1 269 1 33 ALA H 1 34 PRO QD . . 4.310 4.246 4.189 4.283 . 0 0 "[ . 1 . 2]" 1 270 1 33 ALA H 1 34 PRO HD3 . . 5.050 4.730 4.632 4.794 . 0 0 "[ . 1 . 2]" 1 271 1 33 ALA H 1 68 ASP QB . . 5.070 4.790 4.491 5.069 . 0 0 "[ . 1 . 2]" 1 272 1 33 ALA H 1 69 LYS H . . 5.280 4.950 4.750 5.285 0.005 12 0 "[ . 1 . 2]" 1 273 1 33 ALA H 1 69 LYS HA . . 3.300 2.261 2.111 2.575 . 0 0 "[ . 1 . 2]" 1 274 1 33 ALA H 1 69 LYS HB2 . . 4.480 3.625 3.262 3.928 . 0 0 "[ . 1 . 2]" 1 275 1 33 ALA H 1 69 LYS HB3 . . 4.550 3.858 3.492 4.165 . 0 0 "[ . 1 . 2]" 1 276 1 33 ALA H 1 69 LYS QG . . 5.500 5.092 4.836 5.317 . 0 0 "[ . 1 . 2]" 1 277 1 33 ALA H 1 70 ILE H . . 4.240 3.543 3.387 3.724 . 0 0 "[ . 1 . 2]" 1 278 1 33 ALA H 1 70 ILE HB . . 5.500 5.256 4.997 5.496 . 0 0 "[ . 1 . 2]" 1 279 1 33 ALA HA 1 34 PRO HD2 . . 3.590 2.230 2.188 2.255 . 0 0 "[ . 1 . 2]" 1 280 1 33 ALA HA 1 34 PRO QD . . 2.980 1.998 1.976 2.011 . 0 0 "[ . 1 . 2]" 1 281 1 33 ALA HA 1 34 PRO HD3 . . 3.590 2.256 2.252 2.259 . 0 0 "[ . 1 . 2]" 1 282 1 33 ALA HA 1 34 PRO HG2 . . 5.020 4.376 4.342 4.396 . 0 0 "[ . 1 . 2]" 1 283 1 33 ALA HA 1 34 PRO QG . . 4.220 3.901 3.878 3.915 . 0 0 "[ . 1 . 2]" 1 284 1 33 ALA HA 1 34 PRO HG3 . . 5.020 4.382 4.363 4.394 . 0 0 "[ . 1 . 2]" 1 285 1 33 ALA HA 1 37 LEU MD1 . . 4.770 4.771 4.745 4.776 0.006 17 0 "[ . 1 . 2]" 1 286 1 33 ALA HA 1 90 VAL MG1 . . 3.660 2.705 2.422 2.958 . 0 0 "[ . 1 . 2]" 1 287 1 33 ALA MB 1 34 PRO HD2 . . 4.330 2.413 2.258 2.522 . 0 0 "[ . 1 . 2]" 1 288 1 33 ALA MB 1 34 PRO QD . . 3.800 2.372 2.230 2.470 . 0 0 "[ . 1 . 2]" 1 289 1 33 ALA MB 1 34 PRO HD3 . . 4.330 3.500 3.435 3.555 . 0 0 "[ . 1 . 2]" 1 290 1 33 ALA MB 1 69 LYS H . . 5.460 5.094 4.921 5.318 . 0 0 "[ . 1 . 2]" 1 291 1 33 ALA MB 1 69 LYS HA . . 4.190 3.239 2.926 3.477 . 0 0 "[ . 1 . 2]" 1 292 1 33 ALA MB 1 70 ILE H . . 3.860 3.321 3.050 3.581 . 0 0 "[ . 1 . 2]" 1 293 1 33 ALA MB 1 70 ILE HB . . 3.550 3.507 3.338 3.558 0.008 14 0 "[ . 1 . 2]" 1 294 1 33 ALA MB 1 70 ILE MD . . 3.380 2.081 1.847 2.230 . 0 0 "[ . 1 . 2]" 1 295 1 33 ALA MB 1 70 ILE HG12 . . 4.350 3.525 3.257 3.758 . 0 0 "[ . 1 . 2]" 1 296 1 34 PRO HA 1 35 SER H . . 3.110 2.497 2.386 2.659 . 0 0 "[ . 1 . 2]" 1 297 1 34 PRO HA 1 36 TRP H . . 4.560 4.109 4.015 4.395 . 0 0 "[ . 1 . 2]" 1 298 1 34 PRO HA 1 36 TRP HE1 . . 5.010 4.324 4.020 4.746 . 0 0 "[ . 1 . 2]" 1 299 1 34 PRO HA 1 68 ASP HA . . 4.630 4.469 4.063 4.633 0.003 17 0 "[ . 1 . 2]" 1 300 1 34 PRO HA 1 68 ASP QB . . 3.720 3.107 2.654 3.492 . 0 0 "[ . 1 . 2]" 1 301 1 34 PRO HB2 1 36 TRP H . . 4.090 2.636 2.265 2.835 . 0 0 "[ . 1 . 2]" 1 302 1 34 PRO HB2 1 36 TRP HD1 . . 3.930 2.468 2.252 2.596 . 0 0 "[ . 1 . 2]" 1 303 1 34 PRO HB2 1 36 TRP HE1 . . 3.670 2.519 2.376 2.778 . 0 0 "[ . 1 . 2]" 1 304 1 34 PRO HB2 1 37 LEU H . . 3.470 3.233 3.113 3.380 . 0 0 "[ . 1 . 2]" 1 305 1 34 PRO HB2 1 37 LEU HG . . 4.490 2.682 2.524 3.002 . 0 0 "[ . 1 . 2]" 1 306 1 34 PRO HB3 1 35 SER H . . 4.140 3.344 3.189 3.473 . 0 0 "[ . 1 . 2]" 1 307 1 34 PRO HB3 1 36 TRP H . . 4.660 4.076 3.883 4.288 . 0 0 "[ . 1 . 2]" 1 308 1 34 PRO HB3 1 36 TRP HD1 . . 3.990 3.020 2.832 3.245 . 0 0 "[ . 1 . 2]" 1 309 1 34 PRO HB3 1 36 TRP HE1 . . 3.760 2.167 1.907 2.522 . 0 0 "[ . 1 . 2]" 1 310 1 34 PRO HB3 1 37 LEU HG . . 4.850 4.152 4.044 4.364 . 0 0 "[ . 1 . 2]" 1 311 1 34 PRO QD 1 36 TRP HE1 . . 4.500 4.256 4.126 4.346 . 0 0 "[ . 1 . 2]" 1 312 1 34 PRO QD 1 37 LEU MD1 . . 3.900 2.872 2.786 2.954 . 0 0 "[ . 1 . 2]" 1 313 1 34 PRO QD 1 37 LEU MD2 . . 3.960 3.122 3.014 3.336 . 0 0 "[ . 1 . 2]" 1 314 1 34 PRO QD 1 94 ILE QG . . 5.180 3.949 3.560 4.294 . 0 0 "[ . 1 . 2]" 1 315 1 34 PRO HD2 1 36 TRP HE1 . . 5.320 5.275 5.119 5.327 0.007 17 0 "[ . 1 . 2]" 1 316 1 34 PRO HD2 1 37 LEU MD1 . . 4.580 2.923 2.831 3.018 . 0 0 "[ . 1 . 2]" 1 317 1 34 PRO HD2 1 90 VAL MG1 . . 3.950 2.369 2.008 2.864 . 0 0 "[ . 1 . 2]" 1 318 1 34 PRO HD2 1 94 ILE MD . . 4.350 3.423 2.940 3.920 . 0 0 "[ . 1 . 2]" 1 319 1 34 PRO HD3 1 36 TRP HE1 . . 5.320 4.492 4.353 4.606 . 0 0 "[ . 1 . 2]" 1 320 1 34 PRO HD3 1 37 LEU MD1 . . 4.580 4.221 4.138 4.303 . 0 0 "[ . 1 . 2]" 1 321 1 34 PRO HD3 1 90 VAL MG1 . . 3.950 2.980 2.688 3.276 . 0 0 "[ . 1 . 2]" 1 322 1 34 PRO HD3 1 94 ILE MD . . 4.350 2.851 2.445 3.296 . 0 0 "[ . 1 . 2]" 1 323 1 34 PRO QG 1 35 SER H . . 4.790 4.000 3.712 4.192 . 0 0 "[ . 1 . 2]" 1 324 1 34 PRO QG 1 36 TRP H . . 5.080 4.261 3.760 4.478 . 0 0 "[ . 1 . 2]" 1 325 1 34 PRO QG 1 36 TRP HZ2 . . 4.610 3.249 2.960 3.481 . 0 0 "[ . 1 . 2]" 1 326 1 34 PRO QG 1 37 LEU H . . 4.990 3.602 3.484 3.739 . 0 0 "[ . 1 . 2]" 1 327 1 34 PRO QG 1 37 LEU MD1 . . 3.880 2.034 1.933 2.236 . 0 0 "[ . 1 . 2]" 1 328 1 34 PRO QG 1 37 LEU MD2 . . 3.720 1.840 1.764 1.980 . 0 0 "[ . 1 . 2]" 1 329 1 34 PRO QG 1 37 LEU HG . . 3.840 2.100 1.983 2.264 . 0 0 "[ . 1 . 2]" 1 330 1 34 PRO QG 1 90 VAL MG1 . . 3.790 3.315 3.036 3.763 . 0 0 "[ . 1 . 2]" 1 331 1 34 PRO QG 1 94 ILE MD . . 3.600 2.508 2.127 3.001 . 0 0 "[ . 1 . 2]" 1 332 1 34 PRO HG2 1 36 TRP HE1 . . 4.150 3.755 3.598 3.867 . 0 0 "[ . 1 . 2]" 1 333 1 34 PRO HG2 1 37 LEU MD1 . . 4.470 2.049 1.944 2.259 . 0 0 "[ . 1 . 2]" 1 334 1 34 PRO HG2 1 37 LEU MD2 . . 4.240 2.021 1.968 2.206 . 0 0 "[ . 1 . 2]" 1 335 1 34 PRO HG2 1 94 ILE MD . . 4.290 3.769 3.289 4.219 . 0 0 "[ . 1 . 2]" 1 336 1 34 PRO HG3 1 36 TRP HE1 . . 4.150 2.780 2.522 2.906 . 0 0 "[ . 1 . 2]" 1 337 1 34 PRO HG3 1 37 LEU MD1 . . 4.470 3.477 3.360 3.584 . 0 0 "[ . 1 . 2]" 1 338 1 34 PRO HG3 1 37 LEU MD2 . . 4.240 2.125 1.979 2.366 . 0 0 "[ . 1 . 2]" 1 339 1 34 PRO HG3 1 94 ILE MD . . 4.290 2.548 2.154 3.071 . 0 0 "[ . 1 . 2]" 1 340 1 35 SER H 1 35 SER HB2 . . 3.870 3.460 2.655 3.828 . 0 0 "[ . 1 . 2]" 1 341 1 35 SER H 1 35 SER QB . . 3.360 2.759 2.409 3.014 . 0 0 "[ . 1 . 2]" 1 342 1 35 SER H 1 35 SER HB3 . . 3.870 3.034 2.493 3.803 . 0 0 "[ . 1 . 2]" 1 343 1 35 SER H 1 36 TRP H . . 4.020 1.844 1.798 1.932 . 0 0 "[ . 1 . 2]" 1 344 1 35 SER H 1 36 TRP HD1 . . 5.050 2.796 2.608 2.977 . 0 0 "[ . 1 . 2]" 1 345 1 35 SER H 1 68 ASP HA . . 4.890 4.681 4.366 4.890 . 0 0 "[ . 1 . 2]" 1 346 1 35 SER HA 1 37 LEU H . . 5.160 3.480 3.359 3.577 . 0 0 "[ . 1 . 2]" 1 347 1 35 SER HA 1 38 HIS H . . 4.350 3.612 3.365 3.792 . 0 0 "[ . 1 . 2]" 1 348 1 35 SER QB 1 36 TRP H . . 3.780 3.445 2.936 3.776 . 0 0 "[ . 1 . 2]" 1 349 1 35 SER HB2 1 36 TRP H . . 4.380 4.018 3.016 4.249 . 0 0 "[ . 1 . 2]" 1 350 1 35 SER HB3 1 36 TRP H . . 4.380 3.883 3.057 4.310 . 0 0 "[ . 1 . 2]" 1 351 1 36 TRP H 1 36 TRP HB2 . . 3.620 3.592 3.583 3.617 . 0 0 "[ . 1 . 2]" 1 352 1 36 TRP H 1 36 TRP HB3 . . 3.300 2.623 2.533 2.752 . 0 0 "[ . 1 . 2]" 1 353 1 36 TRP H 1 36 TRP HD1 . . 3.400 2.288 2.155 2.463 . 0 0 "[ . 1 . 2]" 1 354 1 36 TRP H 1 36 TRP HE1 . . 4.730 4.244 4.113 4.418 . 0 0 "[ . 1 . 2]" 1 355 1 36 TRP H 1 37 LEU H . . 3.720 2.607 2.384 2.746 . 0 0 "[ . 1 . 2]" 1 356 1 36 TRP H 1 37 LEU HG . . 4.150 3.666 3.343 3.975 . 0 0 "[ . 1 . 2]" 1 357 1 36 TRP HA 1 36 TRP HD1 . . 4.580 4.371 4.295 4.462 . 0 0 "[ . 1 . 2]" 1 358 1 36 TRP HA 1 36 TRP HE3 . . 4.630 4.338 4.213 4.437 . 0 0 "[ . 1 . 2]" 1 359 1 36 TRP HA 1 38 HIS H . . 4.380 3.772 3.702 3.813 . 0 0 "[ . 1 . 2]" 1 360 1 36 TRP HA 1 38 HIS HB2 . . 5.500 4.767 4.646 4.856 . 0 0 "[ . 1 . 2]" 1 361 1 36 TRP HB2 1 36 TRP HE3 . . 4.080 2.567 2.526 2.617 . 0 0 "[ . 1 . 2]" 1 362 1 36 TRP HB2 1 37 LEU H . . 4.630 4.065 3.951 4.143 . 0 0 "[ . 1 . 2]" 1 363 1 36 TRP HB3 1 36 TRP HE1 . . 4.850 4.792 4.781 4.802 . 0 0 "[ . 1 . 2]" 1 364 1 36 TRP HB3 1 37 LEU H . . 4.520 4.228 4.141 4.292 . 0 0 "[ . 1 . 2]" 1 365 1 36 TRP HD1 1 37 LEU H . . 4.230 4.178 4.010 4.232 0.002 9 0 "[ . 1 . 2]" 1 366 1 36 TRP HE1 1 37 LEU HG . . 4.700 4.105 3.925 4.310 . 0 0 "[ . 1 . 2]" 1 367 1 36 TRP HE3 1 37 LEU HA . . 4.380 3.484 3.246 3.765 . 0 0 "[ . 1 . 2]" 1 368 1 36 TRP HE3 1 37 LEU QB . . 4.670 3.153 3.012 3.287 . 0 0 "[ . 1 . 2]" 1 369 1 36 TRP HE3 1 37 LEU MD2 . . 4.460 4.235 3.992 4.411 . 0 0 "[ . 1 . 2]" 1 370 1 36 TRP HH2 1 37 LEU QB . . 5.040 3.707 3.499 4.017 . 0 0 "[ . 1 . 2]" 1 371 1 36 TRP HH2 1 37 LEU MD1 . . 5.500 5.465 5.358 5.501 0.001 9 0 "[ . 1 . 2]" 1 372 1 36 TRP HH2 1 37 LEU MD2 . . 4.550 2.909 2.596 3.027 . 0 0 "[ . 1 . 2]" 1 373 1 36 TRP HH2 1 94 ILE HA . . 4.330 2.897 2.089 3.472 . 0 0 "[ . 1 . 2]" 1 374 1 36 TRP HH2 1 94 ILE MD . . 5.200 4.978 4.685 5.183 . 0 0 "[ . 1 . 2]" 1 375 1 36 TRP HH2 1 94 ILE QG . . 4.540 3.398 3.080 3.635 . 0 0 "[ . 1 . 2]" 1 376 1 36 TRP HH2 1 94 ILE MG . . 4.830 3.913 3.100 4.621 . 0 0 "[ . 1 . 2]" 1 377 1 36 TRP HH2 1 97 SER QB . . 4.490 3.292 2.250 4.062 . 0 0 "[ . 1 . 2]" 1 378 1 36 TRP HZ2 1 37 LEU MD2 . . 4.390 2.496 2.307 2.639 . 0 0 "[ . 1 . 2]" 1 379 1 36 TRP HZ2 1 94 ILE HA . . 4.150 3.455 2.735 3.855 . 0 0 "[ . 1 . 2]" 1 380 1 36 TRP HZ2 1 94 ILE MD . . 4.360 3.482 3.083 3.715 . 0 0 "[ . 1 . 2]" 1 381 1 36 TRP HZ2 1 94 ILE HG12 . . 4.390 2.157 1.998 2.546 . 0 0 "[ . 1 . 2]" 1 382 1 36 TRP HZ2 1 94 ILE HG13 . . 4.390 3.552 2.751 4.234 . 0 0 "[ . 1 . 2]" 1 383 1 36 TRP HZ2 1 94 ILE MG . . 4.340 3.108 2.507 3.620 . 0 0 "[ . 1 . 2]" 1 384 1 36 TRP HZ3 1 37 LEU MD2 . . 4.760 3.680 3.458 3.876 . 0 0 "[ . 1 . 2]" 1 385 1 37 LEU H 1 37 LEU MD1 . . 4.160 2.838 2.518 3.076 . 0 0 "[ . 1 . 2]" 1 386 1 37 LEU H 1 37 LEU MD2 . . 4.030 3.570 3.459 3.680 . 0 0 "[ . 1 . 2]" 1 387 1 37 LEU H 1 37 LEU HG . . 3.260 1.906 1.890 1.977 . 0 0 "[ . 1 . 2]" 1 388 1 37 LEU H 1 38 HIS H . . 3.220 2.531 2.340 2.723 . 0 0 "[ . 1 . 2]" 1 389 1 37 LEU H 1 38 HIS HA . . 4.980 4.426 4.348 4.520 . 0 0 "[ . 1 . 2]" 1 390 1 37 LEU H 1 38 HIS HD2 . . 4.850 4.429 4.230 4.713 . 0 0 "[ . 1 . 2]" 1 391 1 37 LEU H 1 41 ILE MD . . 5.500 5.471 5.257 5.504 0.004 13 0 "[ . 1 . 2]" 1 392 1 37 LEU HA 1 37 LEU MD1 . . 4.360 3.640 3.568 3.710 . 0 0 "[ . 1 . 2]" 1 393 1 37 LEU HA 1 37 LEU MD2 . . 4.240 4.033 3.974 4.088 . 0 0 "[ . 1 . 2]" 1 394 1 37 LEU HA 1 40 PHE H . . 4.350 3.389 3.158 3.605 . 0 0 "[ . 1 . 2]" 1 395 1 37 LEU HA 1 40 PHE QD . . 4.340 2.790 2.003 4.345 0.005 6 0 "[ . 1 . 2]" 1 396 1 37 LEU QB 1 37 LEU MD2 . . 2.980 2.019 1.958 2.092 . 0 0 "[ . 1 . 2]" 1 397 1 37 LEU QB 1 38 HIS H . . 4.400 3.981 3.937 4.012 . 0 0 "[ . 1 . 2]" 1 398 1 37 LEU QB 1 40 PHE H . . 4.390 3.712 3.350 3.886 . 0 0 "[ . 1 . 2]" 1 399 1 37 LEU QB 1 40 PHE QD . . 4.540 3.130 2.331 3.959 . 0 0 "[ . 1 . 2]" 1 400 1 37 LEU HB2 1 40 PHE QD . . 5.310 3.401 2.469 4.235 . 0 0 "[ . 1 . 2]" 1 401 1 37 LEU HB3 1 40 PHE QD . . 5.310 3.667 2.856 4.758 . 0 0 "[ . 1 . 2]" 1 402 1 37 LEU MD1 1 38 HIS H . . 4.520 3.458 3.112 3.730 . 0 0 "[ . 1 . 2]" 1 403 1 37 LEU MD1 1 38 HIS HA . . 4.680 3.079 2.867 3.323 . 0 0 "[ . 1 . 2]" 1 404 1 37 LEU MD1 1 38 HIS HD2 . . 4.480 3.001 2.669 3.305 . 0 0 "[ . 1 . 2]" 1 405 1 37 LEU MD1 1 41 ILE QG . . 4.570 3.475 3.221 3.623 . 0 0 "[ . 1 . 2]" 1 406 1 37 LEU MD1 1 63 PHE QE . . 4.720 4.251 4.065 4.465 . 0 0 "[ . 1 . 2]" 1 407 1 37 LEU MD1 1 90 VAL HA . . 4.570 3.844 3.487 4.316 . 0 0 "[ . 1 . 2]" 1 408 1 37 LEU MD2 1 90 VAL HA . . 4.210 3.730 3.331 4.130 . 0 0 "[ . 1 . 2]" 1 409 1 37 LEU MD2 1 93 LEU HB2 . . 4.540 3.193 2.306 3.643 . 0 0 "[ . 1 . 2]" 1 410 1 37 LEU MD2 1 93 LEU QB . . 3.780 2.645 1.957 2.984 . 0 0 "[ . 1 . 2]" 1 411 1 37 LEU MD2 1 93 LEU HB3 . . 4.540 2.833 2.116 3.250 . 0 0 "[ . 1 . 2]" 1 412 1 37 LEU MD2 1 94 ILE H . . 4.810 3.964 3.486 4.418 . 0 0 "[ . 1 . 2]" 1 413 1 37 LEU MD2 1 94 ILE HA . . 4.820 3.772 3.266 4.359 . 0 0 "[ . 1 . 2]" 1 414 1 37 LEU MD2 1 94 ILE QG . . 3.780 2.447 2.131 2.783 . 0 0 "[ . 1 . 2]" 1 415 1 37 LEU HG 1 38 HIS H . . 4.140 4.063 3.849 4.142 0.002 13 0 "[ . 1 . 2]" 1 416 1 38 HIS H 1 38 HIS HB2 . . 3.380 2.203 2.180 2.248 . 0 0 "[ . 1 . 2]" 1 417 1 38 HIS H 1 38 HIS HB3 . . 3.730 3.506 3.489 3.532 . 0 0 "[ . 1 . 2]" 1 418 1 38 HIS H 1 38 HIS HD2 . . 3.770 3.683 3.502 3.771 0.001 10 0 "[ . 1 . 2]" 1 419 1 38 HIS H 1 39 ARG H . . 3.870 2.642 2.473 2.890 . 0 0 "[ . 1 . 2]" 1 420 1 38 HIS HA 1 38 HIS HD2 . . 4.320 2.108 2.078 2.154 . 0 0 "[ . 1 . 2]" 1 421 1 38 HIS HA 1 40 PHE H . . 4.270 3.882 3.580 4.269 . 0 0 "[ . 1 . 2]" 1 422 1 38 HIS HA 1 41 ILE H . . 4.780 3.280 2.900 3.638 . 0 0 "[ . 1 . 2]" 1 423 1 38 HIS HA 1 41 ILE HB . . 3.700 3.189 2.812 3.494 . 0 0 "[ . 1 . 2]" 1 424 1 38 HIS HA 1 41 ILE MD . . 4.190 3.984 3.732 4.195 0.005 6 0 "[ . 1 . 2]" 1 425 1 38 HIS HA 1 41 ILE QG . . 5.340 4.754 4.503 5.075 . 0 0 "[ . 1 . 2]" 1 426 1 38 HIS HA 1 42 ILE H . . 4.330 3.814 3.524 4.285 . 0 0 "[ . 1 . 2]" 1 427 1 38 HIS HA 1 63 PHE QE . . 4.750 4.446 4.229 4.660 . 0 0 "[ . 1 . 2]" 1 428 1 38 HIS HB2 1 39 ARG H . . 4.160 2.933 2.519 3.268 . 0 0 "[ . 1 . 2]" 1 429 1 38 HIS HB3 1 39 ARG H . . 4.230 3.432 2.881 3.739 . 0 0 "[ . 1 . 2]" 1 430 1 38 HIS HD2 1 41 ILE MD . . 4.880 3.441 3.090 3.977 . 0 0 "[ . 1 . 2]" 1 431 1 38 HIS HE1 1 64 THR H . . 4.510 3.859 3.302 4.490 . 0 0 "[ . 1 . 2]" 1 432 1 39 ARG H 1 39 ARG HB2 . . 4.060 3.219 2.581 3.595 . 0 0 "[ . 1 . 2]" 1 433 1 39 ARG H 1 39 ARG QB . . 3.500 2.370 2.125 2.653 . 0 0 "[ . 1 . 2]" 1 434 1 39 ARG H 1 39 ARG HB3 . . 4.060 2.607 2.181 3.594 . 0 0 "[ . 1 . 2]" 1 435 1 39 ARG H 1 39 ARG HG2 . . 4.590 2.926 1.924 4.513 . 0 0 "[ . 1 . 2]" 1 436 1 39 ARG H 1 39 ARG QG . . 3.780 2.691 1.909 3.804 0.024 12 0 "[ . 1 . 2]" 1 437 1 39 ARG H 1 39 ARG HG3 . . 4.590 3.495 2.200 4.475 . 0 0 "[ . 1 . 2]" 1 438 1 39 ARG H 1 40 PHE H . . 4.130 2.565 2.338 2.718 . 0 0 "[ . 1 . 2]" 1 439 1 39 ARG HA 1 39 ARG QD . . 4.530 3.739 2.240 4.530 0.000 18 0 "[ . 1 . 2]" 1 440 1 39 ARG HA 1 41 ILE H . . 4.990 4.721 4.483 4.992 0.002 8 0 "[ . 1 . 2]" 1 441 1 39 ARG HA 1 42 ILE H . . 4.350 3.991 3.724 4.200 . 0 0 "[ . 1 . 2]" 1 442 1 39 ARG HA 1 42 ILE HB . . 3.710 3.420 3.121 3.646 . 0 0 "[ . 1 . 2]" 1 443 1 39 ARG HA 1 42 ILE MD . . 4.120 3.453 3.129 3.769 . 0 0 "[ . 1 . 2]" 1 444 1 39 ARG HA 1 43 GLY H . . 4.050 3.955 3.838 4.051 0.001 11 0 "[ . 1 . 2]" 1 445 1 39 ARG QB 1 40 PHE H . . 3.880 3.314 2.676 3.747 . 0 0 "[ . 1 . 2]" 1 446 1 39 ARG HB2 1 39 ARG QD . . 3.590 2.605 2.092 3.222 . 0 0 "[ . 1 . 2]" 1 447 1 39 ARG HB2 1 40 PHE H . . 4.490 3.926 2.731 4.427 . 0 0 "[ . 1 . 2]" 1 448 1 39 ARG HB3 1 39 ARG QD . . 3.590 2.643 2.091 3.449 . 0 0 "[ . 1 . 2]" 1 449 1 39 ARG HB3 1 40 PHE H . . 4.490 3.791 2.890 4.224 . 0 0 "[ . 1 . 2]" 1 450 1 39 ARG QG 1 40 PHE H . . 3.960 3.080 2.444 3.951 . 0 0 "[ . 1 . 2]" 1 451 1 39 ARG HG2 1 40 PHE H . . 4.720 3.669 2.547 4.721 0.001 19 0 "[ . 1 . 2]" 1 452 1 39 ARG HG3 1 40 PHE H . . 4.720 3.463 2.541 4.719 . 0 0 "[ . 1 . 2]" 1 453 1 40 PHE H 1 40 PHE HB2 . . 3.750 2.377 2.215 2.521 . 0 0 "[ . 1 . 2]" 1 454 1 40 PHE H 1 40 PHE QB . . 3.230 2.340 2.192 2.479 . 0 0 "[ . 1 . 2]" 1 455 1 40 PHE H 1 40 PHE HB3 . . 3.750 3.564 2.854 3.683 . 0 0 "[ . 1 . 2]" 1 456 1 40 PHE H 1 41 ILE H . . 3.200 2.245 2.013 2.385 . 0 0 "[ . 1 . 2]" 1 457 1 40 PHE H 1 41 ILE HA . . 5.070 4.915 4.726 5.033 . 0 0 "[ . 1 . 2]" 1 458 1 40 PHE H 1 41 ILE HB . . 4.470 4.330 4.100 4.471 0.001 19 0 "[ . 1 . 2]" 1 459 1 40 PHE H 1 41 ILE MG . . 4.410 3.886 3.748 4.036 . 0 0 "[ . 1 . 2]" 1 460 1 40 PHE HA 1 40 PHE QD . . 3.840 2.523 2.087 3.092 . 0 0 "[ . 1 . 2]" 1 461 1 40 PHE HA 1 40 PHE QE . . 4.660 4.417 4.183 4.623 . 0 0 "[ . 1 . 2]" 1 462 1 40 PHE HA 1 41 ILE HA . . 4.870 4.792 4.734 4.830 . 0 0 "[ . 1 . 2]" 1 463 1 40 PHE HA 1 42 ILE H . . 5.290 4.166 3.934 4.386 . 0 0 "[ . 1 . 2]" 1 464 1 40 PHE HA 1 43 GLY H . . 4.600 3.549 3.377 3.790 . 0 0 "[ . 1 . 2]" 1 465 1 40 PHE QB 1 41 ILE H . . 3.600 2.626 2.422 2.878 . 0 0 "[ . 1 . 2]" 1 466 1 40 PHE QB 1 93 LEU MD2 . . 3.660 2.531 2.110 3.038 . 0 0 "[ . 1 . 2]" 1 467 1 40 PHE HB2 1 41 ILE H . . 4.160 2.758 2.479 3.647 . 0 0 "[ . 1 . 2]" 1 468 1 40 PHE HB2 1 93 LEU MD1 . . 4.120 3.544 2.979 4.084 . 0 0 "[ . 1 . 2]" 1 469 1 40 PHE HB2 1 93 LEU MD2 . . 4.170 3.384 2.554 4.093 . 0 0 "[ . 1 . 2]" 1 470 1 40 PHE HB3 1 41 ILE H . . 4.160 3.486 2.779 3.746 . 0 0 "[ . 1 . 2]" 1 471 1 40 PHE HB3 1 93 LEU MD1 . . 4.120 3.259 2.563 3.855 . 0 0 "[ . 1 . 2]" 1 472 1 40 PHE HB3 1 93 LEU MD2 . . 4.170 2.623 2.164 3.212 . 0 0 "[ . 1 . 2]" 1 473 1 40 PHE QD 1 93 LEU MD2 . . 4.340 3.749 2.637 4.173 . 0 0 "[ . 1 . 2]" 1 474 1 41 ILE H 1 41 ILE HB . . 3.480 2.300 2.258 2.351 . 0 0 "[ . 1 . 2]" 1 475 1 41 ILE H 1 41 ILE MD . . 4.210 4.208 4.167 4.235 0.025 18 0 "[ . 1 . 2]" 1 476 1 41 ILE H 1 41 ILE QG . . 4.010 3.903 3.873 3.935 . 0 0 "[ . 1 . 2]" 1 477 1 41 ILE H 1 41 ILE MG . . 3.800 2.531 2.472 2.614 . 0 0 "[ . 1 . 2]" 1 478 1 41 ILE H 1 42 ILE HG13 . . 5.210 4.354 3.986 4.585 . 0 0 "[ . 1 . 2]" 1 479 1 41 ILE HA 1 41 ILE MD . . 3.900 3.616 3.596 3.658 . 0 0 "[ . 1 . 2]" 1 480 1 41 ILE HA 1 41 ILE HG12 . . 4.140 3.000 2.936 3.030 . 0 0 "[ . 1 . 2]" 1 481 1 41 ILE HA 1 41 ILE QG . . 3.610 2.127 2.100 2.156 . 0 0 "[ . 1 . 2]" 1 482 1 41 ILE HA 1 41 ILE HG13 . . 4.140 2.176 2.146 2.218 . 0 0 "[ . 1 . 2]" 1 483 1 41 ILE HA 1 41 ILE MG . . 3.360 3.167 3.157 3.175 . 0 0 "[ . 1 . 2]" 1 484 1 41 ILE HA 1 93 LEU MD1 . . 4.570 2.811 2.301 3.272 . 0 0 "[ . 1 . 2]" 1 485 1 41 ILE HB 1 41 ILE MD . . 3.440 2.196 2.172 2.240 . 0 0 "[ . 1 . 2]" 1 486 1 41 ILE HB 1 42 ILE H . . 3.870 3.761 3.658 3.870 0.000 6 0 "[ . 1 . 2]" 1 487 1 41 ILE HB 1 63 PHE QE . . 4.550 4.427 4.233 4.548 . 0 0 "[ . 1 . 2]" 1 488 1 41 ILE HB 1 63 PHE HZ . . 4.920 4.277 4.012 4.624 . 0 0 "[ . 1 . 2]" 1 489 1 41 ILE HB 1 70 ILE MD . . 5.250 4.969 4.709 5.179 . 0 0 "[ . 1 . 2]" 1 490 1 41 ILE MD 1 41 ILE MG . . 3.100 2.318 2.260 2.365 . 0 0 "[ . 1 . 2]" 1 491 1 41 ILE MD 1 63 PHE QD . . 5.110 4.320 4.127 4.590 . 0 0 "[ . 1 . 2]" 1 492 1 41 ILE MD 1 63 PHE QE . . 4.090 2.336 2.083 2.640 . 0 0 "[ . 1 . 2]" 1 493 1 41 ILE MD 1 63 PHE HZ . . 4.500 2.166 1.975 2.359 . 0 0 "[ . 1 . 2]" 1 494 1 41 ILE MD 1 70 ILE MD . . 3.360 2.030 1.808 2.200 . 0 0 "[ . 1 . 2]" 1 495 1 41 ILE MD 1 90 VAL HA . . 4.470 3.533 3.041 3.910 . 0 0 "[ . 1 . 2]" 1 496 1 41 ILE QG 1 42 ILE H . . 5.210 4.152 4.039 4.321 . 0 0 "[ . 1 . 2]" 1 497 1 41 ILE QG 1 63 PHE QE . . 4.960 3.517 3.350 3.733 . 0 0 "[ . 1 . 2]" 1 498 1 41 ILE QG 1 63 PHE HZ . . 4.670 2.316 2.110 2.625 . 0 0 "[ . 1 . 2]" 1 499 1 41 ILE QG 1 70 ILE MD . . 5.040 3.572 3.078 3.728 . 0 0 "[ . 1 . 2]" 1 500 1 41 ILE QG 1 93 LEU MD1 . . 3.890 2.907 2.359 3.136 . 0 0 "[ . 1 . 2]" 1 501 1 41 ILE HG12 1 41 ILE MG . . 3.550 2.200 2.149 2.258 . 0 0 "[ . 1 . 2]" 1 502 1 41 ILE HG12 1 93 LEU MD1 . . 4.600 4.363 3.827 4.601 0.001 9 0 "[ . 1 . 2]" 1 503 1 41 ILE HG13 1 41 ILE MG . . 3.550 3.177 3.169 3.191 . 0 0 "[ . 1 . 2]" 1 504 1 41 ILE HG13 1 93 LEU MD1 . . 4.600 2.953 2.381 3.192 . 0 0 "[ . 1 . 2]" 1 505 1 41 ILE MG 1 42 ILE H . . 3.620 2.015 1.856 2.292 . 0 0 "[ . 1 . 2]" 1 506 1 41 ILE MG 1 42 ILE HA . . 3.520 3.083 2.951 3.167 . 0 0 "[ . 1 . 2]" 1 507 1 41 ILE MG 1 42 ILE HG13 . . 3.940 1.971 1.899 2.036 . 0 0 "[ . 1 . 2]" 1 508 1 41 ILE MG 1 63 PHE QE . . 3.910 2.523 2.425 2.687 . 0 0 "[ . 1 . 2]" 1 509 1 41 ILE MG 1 63 PHE HZ . . 3.690 2.201 1.937 2.614 . 0 0 "[ . 1 . 2]" 1 510 1 42 ILE H 1 42 ILE HB . . 3.540 2.470 2.406 2.537 . 0 0 "[ . 1 . 2]" 1 511 1 42 ILE H 1 42 ILE MD . . 4.220 3.577 3.445 3.776 . 0 0 "[ . 1 . 2]" 1 512 1 42 ILE H 1 42 ILE HG12 . . 3.910 3.707 3.564 3.837 . 0 0 "[ . 1 . 2]" 1 513 1 42 ILE H 1 42 ILE HG13 . . 3.610 2.388 2.219 2.549 . 0 0 "[ . 1 . 2]" 1 514 1 42 ILE H 1 42 ILE MG . . 3.900 3.767 3.741 3.788 . 0 0 "[ . 1 . 2]" 1 515 1 42 ILE H 1 43 GLY H . . 3.670 2.506 2.404 2.666 . 0 0 "[ . 1 . 2]" 1 516 1 42 ILE HA 1 42 ILE MD . . 4.230 3.848 3.803 3.887 . 0 0 "[ . 1 . 2]" 1 517 1 42 ILE HA 1 42 ILE HG12 . . 4.230 2.592 2.478 2.676 . 0 0 "[ . 1 . 2]" 1 518 1 42 ILE HA 1 42 ILE MG . . 3.440 2.399 2.325 2.481 . 0 0 "[ . 1 . 2]" 1 519 1 42 ILE HA 1 43 GLY QA . . 5.080 4.277 4.255 4.313 . 0 0 "[ . 1 . 2]" 1 520 1 42 ILE HA 1 49 LEU H . . 4.820 3.746 3.492 4.100 . 0 0 "[ . 1 . 2]" 1 521 1 42 ILE HA 1 49 LEU HB2 . . 4.070 3.856 3.631 4.073 0.003 13 0 "[ . 1 . 2]" 1 522 1 42 ILE HA 1 49 LEU HB3 . . 5.160 5.020 4.778 5.161 0.001 14 0 "[ . 1 . 2]" 1 523 1 42 ILE HA 1 49 LEU MD1 . . 3.850 2.356 1.899 3.053 . 0 0 "[ . 1 . 2]" 1 524 1 42 ILE HB 1 43 GLY H . . 3.770 2.415 2.312 2.520 . 0 0 "[ . 1 . 2]" 1 525 1 42 ILE HB 1 43 GLY HA2 . . 4.770 4.699 4.588 4.772 0.002 7 0 "[ . 1 . 2]" 1 526 1 42 ILE HB 1 43 GLY HA3 . . 4.770 4.700 4.594 4.770 . 3 0 "[ . 1 . 2]" 1 527 1 42 ILE MD 1 42 ILE MG . . 3.200 2.096 1.917 2.268 . 0 0 "[ . 1 . 2]" 1 528 1 42 ILE MD 1 63 PHE HB2 . . 4.530 3.988 3.418 4.507 . 0 0 "[ . 1 . 2]" 1 529 1 42 ILE MD 1 63 PHE HB3 . . 4.850 4.093 3.606 4.846 . 0 0 "[ . 1 . 2]" 1 530 1 42 ILE MD 1 63 PHE QD . . 4.510 3.529 3.018 4.041 . 0 0 "[ . 1 . 2]" 1 531 1 42 ILE MD 1 63 PHE QE . . 5.090 4.086 3.644 4.669 . 0 0 "[ . 1 . 2]" 1 532 1 42 ILE HG12 1 43 GLY H . . 5.170 4.945 4.882 4.995 . 0 0 "[ . 1 . 2]" 1 533 1 42 ILE HG12 1 49 LEU MD1 . . 4.260 1.985 1.782 2.161 . 0 0 "[ . 1 . 2]" 1 534 1 42 ILE HG12 1 63 PHE QD . . 5.310 3.479 3.052 4.121 . 0 0 "[ . 1 . 2]" 1 535 1 42 ILE HG12 1 63 PHE QE . . 5.500 3.094 2.413 4.078 . 0 0 "[ . 1 . 2]" 1 536 1 42 ILE HG13 1 42 ILE MG . . 3.530 3.184 3.168 3.201 . 0 0 "[ . 1 . 2]" 1 537 1 42 ILE HG13 1 43 GLY H . . 5.010 4.226 4.123 4.334 . 0 0 "[ . 1 . 2]" 1 538 1 42 ILE HG13 1 63 PHE QD . . 5.500 4.350 4.012 4.795 . 0 0 "[ . 1 . 2]" 1 539 1 42 ILE HG13 1 63 PHE QE . . 5.500 3.770 3.359 4.289 . 0 0 "[ . 1 . 2]" 1 540 1 42 ILE HG13 1 63 PHE HZ . . 4.980 4.344 3.829 4.876 . 0 0 "[ . 1 . 2]" 1 541 1 42 ILE MG 1 43 GLY H . . 3.990 3.248 3.019 3.419 . 0 0 "[ . 1 . 2]" 1 542 1 42 ILE MG 1 43 GLY QA . . 4.290 3.637 3.397 3.806 . 0 0 "[ . 1 . 2]" 1 543 1 42 ILE MG 1 46 GLY HA2 . . 4.120 2.378 1.979 2.881 . 0 0 "[ . 1 . 2]" 1 544 1 42 ILE MG 1 46 GLY QA . . 3.480 2.333 1.960 2.814 . 0 0 "[ . 1 . 2]" 1 545 1 42 ILE MG 1 46 GLY HA3 . . 4.120 3.419 2.906 3.939 . 0 0 "[ . 1 . 2]" 1 546 1 42 ILE MG 1 48 ASN QB . . 4.940 4.438 4.123 4.768 . 0 0 "[ . 1 . 2]" 1 547 1 42 ILE MG 1 49 LEU H . . 4.740 3.897 3.398 4.299 . 0 0 "[ . 1 . 2]" 1 548 1 42 ILE MG 1 49 LEU HB2 . . 4.040 3.286 3.039 3.521 . 0 0 "[ . 1 . 2]" 1 549 1 42 ILE MG 1 49 LEU HB3 . . 4.630 4.458 4.254 4.630 . 0 0 "[ . 1 . 2]" 1 550 1 43 GLY H 1 48 ASN QD . . 4.220 3.652 3.224 4.190 . 0 0 "[ . 1 . 2]" 1 551 1 43 GLY QA 1 46 GLY QA . . 5.090 3.647 3.232 4.287 . 0 0 "[ . 1 . 2]" 1 552 1 43 GLY QA 1 48 ASN QB . . 4.380 3.580 3.013 4.037 . 0 0 "[ . 1 . 2]" 1 553 1 43 GLY QA 1 48 ASN QD . . 4.020 2.397 1.942 3.094 . 0 0 "[ . 1 . 2]" 1 554 1 43 GLY HA2 1 48 ASN H . . 5.230 4.495 3.930 5.003 . 0 0 "[ . 1 . 2]" 1 555 1 43 GLY HA2 1 48 ASN HD21 . . 5.260 3.184 2.590 4.335 . 0 0 "[ . 1 . 2]" 1 556 1 43 GLY HA2 1 48 ASN HD22 . . 5.260 3.422 2.230 4.521 . 0 0 "[ . 1 . 2]" 1 557 1 43 GLY HA3 1 48 ASN H . . 5.230 3.009 2.264 3.493 . 0 0 "[ . 1 . 2]" 1 558 1 43 GLY HA3 1 48 ASN HD21 . . 5.260 2.801 2.023 3.912 . 0 0 "[ . 1 . 2]" 1 559 1 43 GLY HA3 1 48 ASN HD22 . . 5.260 3.487 2.811 4.854 . 0 0 "[ . 1 . 2]" 1 560 1 44 LYS HA 1 44 LYS QD . . 4.060 3.420 2.126 4.092 0.032 14 0 "[ . 1 . 2]" 1 561 1 44 LYS HA 1 44 LYS HG2 . . 4.030 2.820 2.263 3.879 . 0 0 "[ . 1 . 2]" 1 562 1 44 LYS HA 1 44 LYS HG3 . . 4.030 3.060 2.165 3.995 . 0 0 "[ . 1 . 2]" 1 563 1 44 LYS QB 1 44 LYS QE . . 4.310 3.146 1.980 3.760 . 0 0 "[ . 1 . 2]" 1 564 1 44 LYS QE 1 44 LYS QG . . 3.450 2.211 2.051 2.535 . 0 0 "[ . 1 . 2]" 1 565 1 45 LYS HA 1 45 LYS HD2 . . 4.780 3.758 2.081 4.760 . 0 0 "[ . 1 . 2]" 1 566 1 45 LYS HA 1 45 LYS HD3 . . 4.780 3.793 2.098 4.765 . 0 0 "[ . 1 . 2]" 1 567 1 45 LYS HA 1 45 LYS QG . . 3.580 2.477 2.201 3.343 . 0 0 "[ . 1 . 2]" 1 568 1 45 LYS QB 1 45 LYS QD . . 3.010 2.195 2.052 2.308 . 0 0 "[ . 1 . 2]" 1 569 1 45 LYS QB 1 46 GLY H . . 4.450 3.649 2.221 4.046 . 0 0 "[ . 1 . 2]" 1 570 1 45 LYS HB2 1 45 LYS HD2 . . 3.980 3.037 2.490 3.654 . 0 0 "[ . 1 . 2]" 1 571 1 45 LYS HB2 1 45 LYS HD3 . . 3.980 3.389 2.385 3.953 . 0 0 "[ . 1 . 2]" 1 572 1 45 LYS HB3 1 45 LYS HD2 . . 3.980 2.759 2.106 3.743 . 0 0 "[ . 1 . 2]" 1 573 1 45 LYS HB3 1 45 LYS HD3 . . 3.980 3.134 2.346 3.794 . 0 0 "[ . 1 . 2]" 1 574 1 46 GLY QA 1 49 LEU H . . 5.100 3.621 3.187 3.901 . 0 0 "[ . 1 . 2]" 1 575 1 46 GLY QA 1 49 LEU HB2 . . 4.590 3.381 2.687 3.724 . 0 0 "[ . 1 . 2]" 1 576 1 46 GLY QA 1 49 LEU HB3 . . 5.340 4.779 4.057 5.150 . 0 0 "[ . 1 . 2]" 1 577 1 46 GLY QA 1 50 ALA H . . 3.950 3.742 3.263 3.933 . 0 0 "[ . 1 . 2]" 1 578 1 46 GLY HA2 1 50 ALA H . . 4.500 4.166 3.598 4.455 . 0 0 "[ . 1 . 2]" 1 579 1 46 GLY HA3 1 50 ALA H . . 4.500 4.244 3.736 4.499 . 0 0 "[ . 1 . 2]" 1 580 1 47 GLN HA 1 47 GLN QG . . 3.700 2.660 2.142 3.339 . 0 0 "[ . 1 . 2]" 1 581 1 47 GLN HA 1 49 LEU H . . 4.830 4.479 4.214 4.727 . 0 0 "[ . 1 . 2]" 1 582 1 47 GLN HA 1 50 ALA H . . 4.500 3.730 3.369 4.120 . 0 0 "[ . 1 . 2]" 1 583 1 47 GLN HA 1 50 ALA MB . . 3.430 2.611 2.317 2.996 . 0 0 "[ . 1 . 2]" 1 584 1 47 GLN HA 1 51 LYS H . . 5.170 3.989 3.540 4.692 . 0 0 "[ . 1 . 2]" 1 585 1 48 ASN HA 1 51 LYS H . . 5.130 3.976 3.663 4.179 . 0 0 "[ . 1 . 2]" 1 586 1 48 ASN QB 1 48 ASN HD22 . . 3.710 3.241 3.213 3.311 . 0 0 "[ . 1 . 2]" 1 587 1 48 ASN QB 1 49 LEU H . . 3.880 2.558 2.338 2.751 . 0 0 "[ . 1 . 2]" 1 588 1 49 LEU H 1 49 LEU HB2 . . 3.840 2.236 2.212 2.285 . 0 0 "[ . 1 . 2]" 1 589 1 49 LEU H 1 49 LEU HB3 . . 4.030 3.526 3.514 3.550 . 0 0 "[ . 1 . 2]" 1 590 1 49 LEU H 1 49 LEU MD1 . . 4.670 3.606 3.349 3.768 . 0 0 "[ . 1 . 2]" 1 591 1 49 LEU H 1 49 LEU MD2 . . 4.520 3.926 3.778 4.126 . 0 0 "[ . 1 . 2]" 1 592 1 49 LEU H 1 49 LEU HG . . 3.810 2.852 2.711 3.016 . 0 0 "[ . 1 . 2]" 1 593 1 49 LEU H 1 51 LYS H . . 4.280 4.102 3.821 4.268 . 0 0 "[ . 1 . 2]" 1 594 1 49 LEU HA 1 49 LEU MD1 . . 3.930 3.839 3.823 3.858 . 0 0 "[ . 1 . 2]" 1 595 1 49 LEU HA 1 49 LEU MD2 . . 3.510 2.159 1.987 2.366 . 0 0 "[ . 1 . 2]" 1 596 1 49 LEU HA 1 49 LEU HG . . 3.690 2.762 2.582 2.860 . 0 0 "[ . 1 . 2]" 1 597 1 49 LEU HA 1 51 LYS H . . 4.570 4.284 3.793 4.539 . 0 0 "[ . 1 . 2]" 1 598 1 49 LEU HA 1 52 ILE H . . 4.040 3.618 3.413 3.795 . 0 0 "[ . 1 . 2]" 1 599 1 49 LEU HA 1 52 ILE HB . . 4.010 3.104 2.919 3.404 . 0 0 "[ . 1 . 2]" 1 600 1 49 LEU HA 1 52 ILE MD . . 3.830 2.784 2.469 3.254 . 0 0 "[ . 1 . 2]" 1 601 1 49 LEU HA 1 52 ILE HG13 . . 5.100 3.770 3.488 4.075 . 0 0 "[ . 1 . 2]" 1 602 1 49 LEU HA 1 53 THR H . . 4.270 3.887 3.556 4.212 . 0 0 "[ . 1 . 2]" 1 603 1 49 LEU HB2 1 49 LEU MD2 . . 3.290 3.172 3.147 3.187 . 0 0 "[ . 1 . 2]" 1 604 1 49 LEU HB2 1 50 ALA H . . 4.200 2.510 2.390 2.679 . 0 0 "[ . 1 . 2]" 1 605 1 49 LEU HB2 1 50 ALA HA . . 4.520 4.493 4.398 4.521 0.001 8 0 "[ . 1 . 2]" 1 606 1 49 LEU HB3 1 49 LEU MD1 . . 3.590 2.474 2.332 2.619 . 0 0 "[ . 1 . 2]" 1 607 1 49 LEU HB3 1 50 ALA HA . . 4.330 4.043 3.977 4.149 . 0 0 "[ . 1 . 2]" 1 608 1 49 LEU MD1 1 61 ILE MG . . 3.970 3.440 2.804 3.802 . 0 0 "[ . 1 . 2]" 1 609 1 49 LEU MD1 1 63 PHE QD . . 4.240 2.827 2.374 3.191 . 0 0 "[ . 1 . 2]" 1 610 1 49 LEU MD1 1 63 PHE QE . . 4.250 2.152 1.913 2.639 . 0 0 "[ . 1 . 2]" 1 611 1 49 LEU MD2 1 52 ILE HB . . 3.980 3.663 3.350 3.981 0.001 20 0 "[ . 1 . 2]" 1 612 1 49 LEU MD2 1 63 PHE HB2 . . 5.500 5.433 5.286 5.501 0.001 8 0 "[ . 1 . 2]" 1 613 1 49 LEU MD2 1 63 PHE QE . . 4.130 2.097 1.953 2.420 . 0 0 "[ . 1 . 2]" 1 614 1 49 LEU MD2 1 63 PHE HZ . . 4.180 3.498 3.123 3.795 . 0 0 "[ . 1 . 2]" 1 615 1 49 LEU HG 1 50 ALA H . . 4.770 4.615 4.543 4.676 . 0 0 "[ . 1 . 2]" 1 616 1 50 ALA H 1 50 ALA MB . . 3.200 2.153 2.039 2.237 . 0 0 "[ . 1 . 2]" 1 617 1 50 ALA H 1 51 LYS H . . 3.930 2.893 2.785 2.975 . 0 0 "[ . 1 . 2]" 1 618 1 50 ALA HA 1 53 THR H . . 4.230 3.977 3.740 4.219 . 0 0 "[ . 1 . 2]" 1 619 1 50 ALA HA 1 53 THR HB . . 4.560 4.363 4.103 4.521 . 0 0 "[ . 1 . 2]" 1 620 1 50 ALA HA 1 53 THR MG . . 4.240 3.165 1.880 4.096 . 0 0 "[ . 1 . 2]" 1 621 1 50 ALA HA 1 54 GLN H . . 4.340 4.040 3.780 4.341 0.001 7 0 "[ . 1 . 2]" 1 622 1 50 ALA MB 1 51 LYS H . . 3.920 2.577 2.362 2.843 . 0 0 "[ . 1 . 2]" 1 623 1 50 ALA MB 1 51 LYS HA . . 4.190 3.761 3.657 3.915 . 0 0 "[ . 1 . 2]" 1 624 1 50 ALA MB 1 52 ILE H . . 5.240 4.859 4.774 5.027 . 0 0 "[ . 1 . 2]" 1 625 1 51 LYS H 1 51 LYS QB . . 3.710 2.173 2.123 2.251 . 0 0 "[ . 1 . 2]" 1 626 1 51 LYS H 1 51 LYS HG2 . . 4.850 3.877 2.742 4.629 . 0 0 "[ . 1 . 2]" 1 627 1 51 LYS H 1 51 LYS QG . . 4.140 3.327 2.652 4.050 . 0 0 "[ . 1 . 2]" 1 628 1 51 LYS H 1 51 LYS HG3 . . 4.850 3.772 2.738 4.518 . 0 0 "[ . 1 . 2]" 1 629 1 51 LYS HA 1 51 LYS QD . . 4.080 2.921 1.998 4.038 . 0 0 "[ . 1 . 2]" 1 630 1 51 LYS HA 1 51 LYS HG2 . . 4.160 2.790 2.172 3.649 . 0 0 "[ . 1 . 2]" 1 631 1 51 LYS HA 1 51 LYS QG . . 3.600 2.335 2.136 2.616 . 0 0 "[ . 1 . 2]" 1 632 1 51 LYS HA 1 51 LYS HG3 . . 4.160 3.002 2.173 3.657 . 0 0 "[ . 1 . 2]" 1 633 1 51 LYS HA 1 54 GLN HB2 . . 3.710 3.187 2.755 3.568 . 0 0 "[ . 1 . 2]" 1 634 1 51 LYS HA 1 54 GLN QB . . 3.200 2.629 2.446 2.838 . 0 0 "[ . 1 . 2]" 1 635 1 51 LYS HA 1 54 GLN HB3 . . 3.710 2.852 2.518 3.219 . 0 0 "[ . 1 . 2]" 1 636 1 51 LYS QB 1 51 LYS QD . . 3.140 2.256 2.064 2.583 . 0 0 "[ . 1 . 2]" 1 637 1 51 LYS QB 1 51 LYS QE . . 4.280 3.114 2.038 3.780 . 0 0 "[ . 1 . 2]" 1 638 1 51 LYS QB 1 52 ILE H . . 3.180 2.236 2.062 2.406 . 0 0 "[ . 1 . 2]" 1 639 1 51 LYS QB 1 52 ILE HA . . 3.740 3.741 3.705 3.769 0.029 7 0 "[ . 1 . 2]" 1 640 1 51 LYS QD 1 52 ILE H . . 4.840 4.520 3.453 4.833 . 0 0 "[ . 1 . 2]" 1 641 1 51 LYS QE 1 51 LYS QG . . 3.500 2.240 2.087 2.591 . 0 0 "[ . 1 . 2]" 1 642 1 51 LYS HG2 1 52 ILE H . . 4.800 4.570 3.924 4.799 . 0 0 "[ . 1 . 2]" 1 643 1 51 LYS HG3 1 52 ILE H . . 4.800 4.496 4.024 4.789 . 0 0 "[ . 1 . 2]" 1 644 1 52 ILE H 1 52 ILE HB . . 3.160 2.601 2.547 2.641 . 0 0 "[ . 1 . 2]" 1 645 1 52 ILE H 1 52 ILE MD . . 3.710 3.388 3.273 3.542 . 0 0 "[ . 1 . 2]" 1 646 1 52 ILE H 1 52 ILE HG12 . . 3.480 3.366 3.219 3.475 . 0 0 "[ . 1 . 2]" 1 647 1 52 ILE H 1 52 ILE HG13 . . 3.880 1.968 1.899 2.076 . 0 0 "[ . 1 . 2]" 1 648 1 52 ILE H 1 52 ILE MG . . 3.990 3.766 3.763 3.768 . 0 0 "[ . 1 . 2]" 1 649 1 52 ILE H 1 53 THR H . . 3.410 2.974 2.826 3.025 . 0 0 "[ . 1 . 2]" 1 650 1 52 ILE H 1 53 THR MG . . 4.990 4.426 3.822 4.815 . 0 0 "[ . 1 . 2]" 1 651 1 52 ILE HA 1 52 ILE MD . . 3.900 3.867 3.825 3.894 . 0 0 "[ . 1 . 2]" 1 652 1 52 ILE HA 1 52 ILE HG12 . . 3.780 2.632 2.519 2.712 . 0 0 "[ . 1 . 2]" 1 653 1 52 ILE HA 1 52 ILE HG13 . . 3.740 2.891 2.793 3.017 . 0 0 "[ . 1 . 2]" 1 654 1 52 ILE HA 1 52 ILE MG . . 3.410 2.370 2.273 2.452 . 0 0 "[ . 1 . 2]" 1 655 1 52 ILE HA 1 54 GLN H . . 4.860 4.204 3.889 4.420 . 0 0 "[ . 1 . 2]" 1 656 1 52 ILE HA 1 55 GLN H . . 4.510 3.562 3.338 3.732 . 0 0 "[ . 1 . 2]" 1 657 1 52 ILE HA 1 55 GLN QB . . 4.070 3.240 2.939 4.063 . 0 0 "[ . 1 . 2]" 1 658 1 52 ILE HA 1 56 MET H . . 4.910 4.235 3.907 4.888 . 0 0 "[ . 1 . 2]" 1 659 1 52 ILE HA 1 56 MET ME . . 3.910 3.254 2.043 3.736 . 0 0 "[ . 1 . 2]" 1 660 1 52 ILE HB 1 52 ILE MD . . 3.270 2.290 2.179 2.437 . 0 0 "[ . 1 . 2]" 1 661 1 52 ILE HB 1 53 THR H . . 3.620 2.249 2.184 2.432 . 0 0 "[ . 1 . 2]" 1 662 1 52 ILE HB 1 53 THR HA . . 4.350 4.190 4.113 4.263 . 0 0 "[ . 1 . 2]" 1 663 1 52 ILE HB 1 53 THR MG . . 4.230 3.459 3.046 4.059 . 0 0 "[ . 1 . 2]" 1 664 1 52 ILE HB 1 54 GLN H . . 4.740 4.681 4.562 4.741 0.001 10 0 "[ . 1 . 2]" 1 665 1 52 ILE HB 1 61 ILE MD . . 4.310 2.651 2.308 3.331 . 0 0 "[ . 1 . 2]" 1 666 1 52 ILE MD 1 53 THR H . . 4.260 4.173 4.027 4.260 0.000 2 0 "[ . 1 . 2]" 1 667 1 52 ILE MD 1 85 GLN HB2 . . 4.130 3.759 3.150 4.115 . 0 0 "[ . 1 . 2]" 1 668 1 52 ILE MD 1 85 GLN QB . . 3.470 3.129 2.691 3.439 . 0 0 "[ . 1 . 2]" 1 669 1 52 ILE MD 1 85 GLN HB3 . . 4.130 3.375 2.861 3.936 . 0 0 "[ . 1 . 2]" 1 670 1 52 ILE MD 1 86 ILE H . . 5.020 4.217 3.437 4.777 . 0 0 "[ . 1 . 2]" 1 671 1 52 ILE HG12 1 52 ILE MG . . 3.400 2.292 2.137 2.406 . 0 0 "[ . 1 . 2]" 1 672 1 52 ILE HG12 1 53 THR H . . 4.980 4.864 4.794 4.974 . 0 0 "[ . 1 . 2]" 1 673 1 52 ILE HG13 1 52 ILE MG . . 3.330 3.187 3.164 3.199 . 0 0 "[ . 1 . 2]" 1 674 1 52 ILE MG 1 53 THR H . . 4.140 3.125 2.965 3.381 . 0 0 "[ . 1 . 2]" 1 675 1 52 ILE MG 1 53 THR HA . . 4.190 3.318 3.147 3.462 . 0 0 "[ . 1 . 2]" 1 676 1 52 ILE MG 1 56 MET ME . . 2.970 2.233 1.802 2.773 . 0 0 "[ . 1 . 2]" 1 677 1 52 ILE MG 1 82 ALA HA . . 4.150 3.073 2.264 3.574 . 0 0 "[ . 1 . 2]" 1 678 1 52 ILE MG 1 82 ALA MB . . 3.540 2.756 2.096 3.149 . 0 0 "[ . 1 . 2]" 1 679 1 53 THR H 1 53 THR HB . . 3.910 3.296 2.475 3.622 . 0 0 "[ . 1 . 2]" 1 680 1 53 THR H 1 53 THR MG . . 3.680 2.231 2.020 2.535 . 0 0 "[ . 1 . 2]" 1 681 1 53 THR H 1 54 GLN H . . 3.580 2.755 2.572 2.831 . 0 0 "[ . 1 . 2]" 1 682 1 53 THR H 1 55 GLN H . . 4.760 4.429 4.214 4.604 . 0 0 "[ . 1 . 2]" 1 683 1 53 THR HA 1 53 THR MG . . 3.330 2.562 2.179 3.207 . 0 0 "[ . 1 . 2]" 1 684 1 53 THR HA 1 56 MET H . . 3.940 3.322 3.152 3.595 . 0 0 "[ . 1 . 2]" 1 685 1 53 THR HA 1 61 ILE MD . . 4.500 3.531 2.959 4.175 . 0 0 "[ . 1 . 2]" 1 686 1 53 THR HB 1 54 GLN H . . 4.030 3.823 3.600 4.032 0.002 12 0 "[ . 1 . 2]" 1 687 1 53 THR MG 1 54 GLN H . . 4.420 3.430 1.874 4.116 . 0 0 "[ . 1 . 2]" 1 688 1 53 THR MG 1 61 ILE MD . . 3.580 2.628 1.899 3.580 0.000 19 0 "[ . 1 . 2]" 1 689 1 54 GLN H 1 54 GLN HB2 . . 3.280 2.469 2.274 2.690 . 0 0 "[ . 1 . 2]" 1 690 1 54 GLN H 1 54 GLN HB3 . . 3.280 2.597 2.368 2.804 . 0 0 "[ . 1 . 2]" 1 691 1 54 GLN H 1 54 GLN HG2 . . 4.690 4.510 4.266 4.631 . 0 0 "[ . 1 . 2]" 1 692 1 54 GLN H 1 54 GLN QG . . 4.080 3.988 3.895 4.055 . 0 0 "[ . 1 . 2]" 1 693 1 54 GLN H 1 54 GLN HG3 . . 4.690 4.452 4.244 4.566 . 0 0 "[ . 1 . 2]" 1 694 1 54 GLN H 1 55 GLN H . . 3.230 2.699 2.464 2.851 . 0 0 "[ . 1 . 2]" 1 695 1 54 GLN HA 1 54 GLN HG2 . . 3.890 3.302 2.280 3.861 . 0 0 "[ . 1 . 2]" 1 696 1 54 GLN HA 1 54 GLN QG . . 3.410 2.589 2.217 3.040 . 0 0 "[ . 1 . 2]" 1 697 1 54 GLN HA 1 54 GLN HG3 . . 3.890 2.834 2.267 3.595 . 0 0 "[ . 1 . 2]" 1 698 1 54 GLN HB2 1 55 GLN H . . 4.320 3.794 3.576 4.077 . 0 0 "[ . 1 . 2]" 1 699 1 54 GLN HB3 1 55 GLN H . . 4.320 2.538 2.361 2.889 . 0 0 "[ . 1 . 2]" 1 700 1 54 GLN QG 1 55 GLN H . . 5.090 3.731 3.222 4.227 . 0 0 "[ . 1 . 2]" 1 701 1 55 GLN H 1 55 GLN QB . . 3.120 2.273 2.154 2.551 . 0 0 "[ . 1 . 2]" 1 702 1 55 GLN H 1 55 GLN QG . . 4.330 3.734 2.072 4.041 . 0 0 "[ . 1 . 2]" 1 703 1 55 GLN H 1 56 MET H . . 3.120 2.453 2.208 2.597 . 0 0 "[ . 1 . 2]" 1 704 1 55 GLN HA 1 55 GLN HG2 . . 4.060 3.554 2.589 3.876 . 0 0 "[ . 1 . 2]" 1 705 1 55 GLN HA 1 55 GLN QG . . 3.430 2.779 2.217 3.340 . 0 0 "[ . 1 . 2]" 1 706 1 55 GLN HA 1 55 GLN HG3 . . 4.060 2.997 2.240 3.714 . 0 0 "[ . 1 . 2]" 1 707 1 55 GLN QB 1 56 MET H . . 3.580 2.826 2.698 3.569 . 0 0 "[ . 1 . 2]" 1 708 1 55 GLN QB 1 56 MET QG . . 4.100 3.517 2.902 4.039 . 0 0 "[ . 1 . 2]" 1 709 1 55 GLN QB 1 85 GLN QE . . 4.710 4.014 2.967 4.661 . 0 0 "[ . 1 . 2]" 1 710 1 55 GLN QG 1 56 MET H . . 4.560 3.855 2.368 4.586 0.026 7 0 "[ . 1 . 2]" 1 711 1 55 GLN QG 1 56 MET ME . . 3.540 2.977 2.153 3.548 0.008 8 0 "[ . 1 . 2]" 1 712 1 55 GLN QG 1 81 VAL MG1 . . 4.790 4.461 4.009 4.776 . 0 0 "[ . 1 . 2]" 1 713 1 55 GLN QG 1 85 GLN QE . . 4.540 3.679 2.884 4.543 0.003 5 0 "[ . 1 . 2]" 1 714 1 55 GLN HG2 1 56 MET ME . . 4.060 3.343 2.166 4.008 . 0 0 "[ . 1 . 2]" 1 715 1 55 GLN HG3 1 56 MET ME . . 4.060 3.610 2.341 4.061 0.001 13 0 "[ . 1 . 2]" 1 716 1 56 MET H 1 56 MET HB2 . . 4.080 2.705 2.395 4.058 . 0 0 "[ . 1 . 2]" 1 717 1 56 MET H 1 56 MET QB . . 3.450 2.616 2.363 3.218 . 0 0 "[ . 1 . 2]" 1 718 1 56 MET H 1 56 MET HB3 . . 4.080 3.742 3.375 3.821 . 0 0 "[ . 1 . 2]" 1 719 1 56 MET H 1 56 MET ME . . 4.290 3.675 2.739 4.288 . 0 0 "[ . 1 . 2]" 1 720 1 56 MET H 1 56 MET HG2 . . 4.530 4.376 3.869 4.529 . 0 0 "[ . 1 . 2]" 1 721 1 56 MET H 1 56 MET QG . . 3.650 3.408 3.155 3.694 0.044 5 0 "[ . 1 . 2]" 1 722 1 56 MET H 1 56 MET HG3 . . 4.530 3.603 3.265 4.340 . 0 0 "[ . 1 . 2]" 1 723 1 56 MET H 1 57 PRO HA . . 5.050 4.577 4.490 4.833 . 0 0 "[ . 1 . 2]" 1 724 1 56 MET H 1 57 PRO HD2 . . 4.640 4.157 4.084 4.482 . 0 0 "[ . 1 . 2]" 1 725 1 56 MET H 1 57 PRO HD3 . . 4.090 3.457 3.344 3.957 . 0 0 "[ . 1 . 2]" 1 726 1 56 MET HA 1 57 PRO HD2 . . 3.430 2.003 1.960 2.047 . 0 0 "[ . 1 . 2]" 1 727 1 56 MET HA 1 57 PRO HD3 . . 3.700 2.770 2.345 2.863 . 0 0 "[ . 1 . 2]" 1 728 1 56 MET HA 1 58 LYS H . . 4.430 3.451 3.123 3.932 . 0 0 "[ . 1 . 2]" 1 729 1 56 MET QB 1 58 LYS H . . 4.160 3.892 3.230 4.166 0.006 14 0 "[ . 1 . 2]" 1 730 1 56 MET QB 1 59 VAL H . . 4.130 2.940 2.653 3.662 . 0 0 "[ . 1 . 2]" 1 731 1 56 MET ME 1 56 MET HG2 . . 3.550 2.769 2.026 3.390 . 0 0 "[ . 1 . 2]" 1 732 1 56 MET ME 1 56 MET QG . . 3.080 2.186 2.003 2.418 . 0 0 "[ . 1 . 2]" 1 733 1 56 MET ME 1 56 MET HG3 . . 3.550 2.683 2.046 3.375 . 0 0 "[ . 1 . 2]" 1 734 1 56 MET ME 1 81 VAL MG1 . . 3.180 2.265 1.815 3.039 . 0 0 "[ . 1 . 2]" 1 735 1 56 MET ME 1 82 ALA H . . 4.210 3.662 2.821 4.203 . 0 0 "[ . 1 . 2]" 1 736 1 56 MET ME 1 82 ALA HA . . 3.820 2.581 2.035 3.128 . 0 0 "[ . 1 . 2]" 1 737 1 56 MET ME 1 82 ALA MB . . 3.560 2.836 2.073 3.396 . 0 0 "[ . 1 . 2]" 1 738 1 56 MET ME 1 85 GLN HE21 . . 4.330 2.590 1.836 3.313 . 0 0 "[ . 1 . 2]" 1 739 1 56 MET ME 1 85 GLN HE22 . . 4.330 2.570 1.917 4.155 . 0 0 "[ . 1 . 2]" 1 740 1 56 MET QG 1 57 PRO HD2 . . 4.560 4.116 3.939 4.369 . 0 0 "[ . 1 . 2]" 1 741 1 56 MET QG 1 81 VAL HB . . 4.210 3.649 2.809 4.189 . 0 0 "[ . 1 . 2]" 1 742 1 57 PRO HA 1 59 VAL H . . 4.370 4.081 3.791 4.327 . 0 0 "[ . 1 . 2]" 1 743 1 57 PRO QB 1 58 LYS H . . 4.010 3.220 2.992 3.676 . 0 0 "[ . 1 . 2]" 1 744 1 57 PRO HB2 1 58 LYS H . . 4.620 3.357 3.090 3.908 . 0 0 "[ . 1 . 2]" 1 745 1 57 PRO HB3 1 58 LYS H . . 4.620 4.153 3.999 4.472 . 0 0 "[ . 1 . 2]" 1 746 1 57 PRO HD2 1 58 LYS H . . 3.990 2.674 2.645 2.955 . 0 0 "[ . 1 . 2]" 1 747 1 57 PRO HD2 1 58 LYS HB2 . . 5.500 4.263 4.076 4.440 . 0 0 "[ . 1 . 2]" 1 748 1 57 PRO HD2 1 59 VAL MG2 . . 5.500 5.187 4.554 5.501 0.001 11 0 "[ . 1 . 2]" 1 749 1 57 PRO HD3 1 58 LYS H . . 4.520 3.850 3.834 4.004 . 0 0 "[ . 1 . 2]" 1 750 1 57 PRO QG 1 58 LYS H . . 4.400 2.390 2.082 3.174 . 0 0 "[ . 1 . 2]" 1 751 1 58 LYS H 1 58 LYS HB2 . . 3.170 2.355 2.217 2.528 . 0 0 "[ . 1 . 2]" 1 752 1 58 LYS H 1 58 LYS HB3 . . 3.700 3.570 3.514 3.705 0.005 7 0 "[ . 1 . 2]" 1 753 1 58 LYS H 1 58 LYS QD . . 4.610 4.199 3.549 4.458 . 0 0 "[ . 1 . 2]" 1 754 1 58 LYS H 1 58 LYS HG2 . . 3.630 3.083 2.238 3.631 0.001 11 0 "[ . 1 . 2]" 1 755 1 58 LYS H 1 58 LYS QG . . 3.130 2.540 2.213 2.855 . 0 0 "[ . 1 . 2]" 1 756 1 58 LYS H 1 58 LYS HG3 . . 3.630 3.032 2.381 3.587 . 0 0 "[ . 1 . 2]" 1 757 1 58 LYS H 1 59 VAL H . . 3.200 2.605 1.980 3.003 . 0 0 "[ . 1 . 2]" 1 758 1 58 LYS H 1 59 VAL HB . . 5.500 4.892 4.181 5.439 . 0 0 "[ . 1 . 2]" 1 759 1 58 LYS H 1 59 VAL MG2 . . 4.320 4.031 3.471 4.271 . 0 0 "[ . 1 . 2]" 1 760 1 58 LYS HA 1 58 LYS QD . . 4.000 3.348 2.156 3.998 . 0 0 "[ . 1 . 2]" 1 761 1 58 LYS HA 1 58 LYS QE . . 4.560 3.851 1.902 4.573 0.013 15 0 "[ . 1 . 2]" 1 762 1 58 LYS HA 1 58 LYS HG2 . . 3.930 2.446 2.171 2.940 . 0 0 "[ . 1 . 2]" 1 763 1 58 LYS HA 1 58 LYS QG . . 3.330 2.390 2.134 2.839 . 0 0 "[ . 1 . 2]" 1 764 1 58 LYS HA 1 58 LYS HG3 . . 3.930 3.399 2.942 3.779 . 0 0 "[ . 1 . 2]" 1 765 1 58 LYS HB2 1 59 VAL H . . 4.080 2.922 2.615 3.209 . 0 0 "[ . 1 . 2]" 1 766 1 58 LYS HB2 1 59 VAL MG2 . . 4.210 3.217 2.985 3.491 . 0 0 "[ . 1 . 2]" 1 767 1 58 LYS HB2 1 75 PRO HD2 . . 5.000 3.501 2.991 3.842 . 0 0 "[ . 1 . 2]" 1 768 1 58 LYS HB2 1 75 PRO QD . . 4.120 3.329 2.877 3.629 . 0 0 "[ . 1 . 2]" 1 769 1 58 LYS HB2 1 75 PRO HD3 . . 5.000 4.171 3.734 4.513 . 0 0 "[ . 1 . 2]" 1 770 1 58 LYS HB2 1 75 PRO HG3 . . 4.630 3.936 3.324 4.437 . 0 0 "[ . 1 . 2]" 1 771 1 58 LYS HB3 1 58 LYS QD . . 3.140 2.236 2.057 2.444 . 0 0 "[ . 1 . 2]" 1 772 1 58 LYS HB3 1 58 LYS QE . . 3.950 3.263 2.250 3.952 0.002 9 0 "[ . 1 . 2]" 1 773 1 58 LYS HB3 1 75 PRO HD2 . . 4.160 2.708 2.083 3.583 . 0 0 "[ . 1 . 2]" 1 774 1 58 LYS HB3 1 75 PRO QD . . 3.360 2.452 1.945 3.185 . 0 0 "[ . 1 . 2]" 1 775 1 58 LYS HB3 1 75 PRO HD3 . . 4.160 2.816 2.220 3.568 . 0 0 "[ . 1 . 2]" 1 776 1 58 LYS QD 1 75 PRO HD2 . . 5.060 3.869 3.205 4.980 . 0 0 "[ . 1 . 2]" 1 777 1 58 LYS QD 1 75 PRO QD . . 4.230 3.062 1.975 4.188 . 0 0 "[ . 1 . 2]" 1 778 1 58 LYS QD 1 75 PRO HD3 . . 5.060 3.229 1.993 4.505 . 0 0 "[ . 1 . 2]" 1 779 1 58 LYS QD 1 75 PRO HG3 . . 4.780 2.930 1.936 4.736 . 0 0 "[ . 1 . 2]" 1 780 1 58 LYS QE 1 58 LYS HG2 . . 3.340 2.593 2.111 3.389 0.049 15 0 "[ . 1 . 2]" 1 781 1 58 LYS QE 1 58 LYS HG3 . . 3.340 2.693 2.165 3.384 0.044 6 0 "[ . 1 . 2]" 1 782 1 58 LYS HG2 1 59 VAL H . . 5.040 4.827 4.368 5.052 0.012 15 0 "[ . 1 . 2]" 1 783 1 58 LYS HG3 1 59 VAL H . . 5.040 4.821 4.509 5.040 . 0 0 "[ . 1 . 2]" 1 784 1 59 VAL H 1 59 VAL HB . . 3.080 2.503 2.462 2.618 . 0 0 "[ . 1 . 2]" 1 785 1 59 VAL H 1 59 VAL MG1 . . 3.980 3.777 3.763 3.800 . 0 0 "[ . 1 . 2]" 1 786 1 59 VAL H 1 59 VAL MG2 . . 3.470 2.290 2.000 2.546 . 0 0 "[ . 1 . 2]" 1 787 1 59 VAL H 1 60 HIS H . . 4.740 4.515 4.396 4.603 . 0 0 "[ . 1 . 2]" 1 788 1 59 VAL H 1 78 ASP QB . . 4.890 3.995 3.591 4.441 . 0 0 "[ . 1 . 2]" 1 789 1 59 VAL HA 1 59 VAL MG1 . . 3.580 2.402 2.254 2.471 . 0 0 "[ . 1 . 2]" 1 790 1 59 VAL HA 1 59 VAL MG2 . . 3.540 2.388 2.291 2.506 . 0 0 "[ . 1 . 2]" 1 791 1 59 VAL HA 1 60 HIS H . . 3.030 2.165 2.140 2.230 . 0 0 "[ . 1 . 2]" 1 792 1 59 VAL HA 1 60 HIS QB . . 5.340 4.080 3.945 4.172 . 0 0 "[ . 1 . 2]" 1 793 1 59 VAL HA 1 73 GLU H . . 4.700 3.841 3.522 4.062 . 0 0 "[ . 1 . 2]" 1 794 1 59 VAL HA 1 74 GLY H . . 5.080 4.871 4.649 5.058 . 0 0 "[ . 1 . 2]" 1 795 1 59 VAL HA 1 74 GLY HA2 . . 4.640 4.122 3.936 4.390 . 0 0 "[ . 1 . 2]" 1 796 1 59 VAL HA 1 74 GLY HA3 . . 4.600 2.817 2.562 3.119 . 0 0 "[ . 1 . 2]" 1 797 1 59 VAL HA 1 79 VAL MG2 . . 4.750 3.790 3.303 4.509 . 0 0 "[ . 1 . 2]" 1 798 1 59 VAL HB 1 60 HIS H . . 4.280 4.146 3.963 4.282 0.002 8 0 "[ . 1 . 2]" 1 799 1 59 VAL HB 1 82 ALA MB . . 3.590 3.004 2.723 3.176 . 0 0 "[ . 1 . 2]" 1 800 1 59 VAL MG1 1 60 HIS H . . 3.520 2.436 2.136 2.830 . 0 0 "[ . 1 . 2]" 1 801 1 59 VAL MG1 1 72 LEU HA . . 4.500 3.506 3.328 3.760 . 0 0 "[ . 1 . 2]" 1 802 1 59 VAL MG1 1 72 LEU QB . . 3.610 2.739 2.535 3.011 . 0 0 "[ . 1 . 2]" 1 803 1 59 VAL MG1 1 72 LEU HG . . 3.570 3.491 3.335 3.566 . 0 0 "[ . 1 . 2]" 1 804 1 59 VAL MG1 1 73 GLU H . . 3.610 2.941 2.644 3.288 . 0 0 "[ . 1 . 2]" 1 805 1 59 VAL MG1 1 79 VAL HA . . 3.390 2.745 2.350 3.273 . 0 0 "[ . 1 . 2]" 1 806 1 59 VAL MG1 1 82 ALA HA . . 4.690 4.403 4.084 4.657 . 0 0 "[ . 1 . 2]" 1 807 1 59 VAL MG1 1 82 ALA MB . . 2.930 1.991 1.810 2.210 . 0 0 "[ . 1 . 2]" 1 808 1 59 VAL MG2 1 60 HIS H . . 4.220 3.992 3.830 4.122 . 0 0 "[ . 1 . 2]" 1 809 1 59 VAL MG2 1 74 GLY HA2 . . 4.820 4.578 4.283 4.788 . 0 0 "[ . 1 . 2]" 1 810 1 59 VAL MG2 1 74 GLY HA3 . . 4.240 3.082 2.724 3.328 . 0 0 "[ . 1 . 2]" 1 811 1 59 VAL MG2 1 75 PRO HD2 . . 4.760 3.037 2.617 3.318 . 0 0 "[ . 1 . 2]" 1 812 1 59 VAL MG2 1 75 PRO QD . . 4.070 2.992 2.590 3.258 . 0 0 "[ . 1 . 2]" 1 813 1 59 VAL MG2 1 75 PRO HD3 . . 4.760 4.513 4.142 4.764 0.004 18 0 "[ . 1 . 2]" 1 814 1 59 VAL MG2 1 78 ASP H . . 4.700 4.227 3.932 4.518 . 0 0 "[ . 1 . 2]" 1 815 1 59 VAL MG2 1 78 ASP HB2 . . 3.640 2.509 1.967 3.337 . 0 0 "[ . 1 . 2]" 1 816 1 59 VAL MG2 1 78 ASP QB . . 3.190 1.917 1.776 2.178 . 0 0 "[ . 1 . 2]" 1 817 1 59 VAL MG2 1 78 ASP HB3 . . 3.640 2.016 1.842 2.284 . 0 0 "[ . 1 . 2]" 1 818 1 59 VAL MG2 1 79 VAL H . . 4.250 3.063 2.604 3.497 . 0 0 "[ . 1 . 2]" 1 819 1 59 VAL MG2 1 79 VAL HA . . 3.660 2.597 2.198 3.093 . 0 0 "[ . 1 . 2]" 1 820 1 59 VAL MG2 1 82 ALA H . . 4.510 3.435 3.143 3.658 . 0 0 "[ . 1 . 2]" 1 821 1 59 VAL MG2 1 82 ALA MB . . 3.420 2.220 1.951 2.573 . 0 0 "[ . 1 . 2]" 1 822 1 60 HIS H 1 60 HIS HB2 . . 3.600 2.515 2.244 2.788 . 0 0 "[ . 1 . 2]" 1 823 1 60 HIS H 1 60 HIS QB . . 3.130 2.363 2.220 2.498 . 0 0 "[ . 1 . 2]" 1 824 1 60 HIS H 1 60 HIS HB3 . . 3.600 3.155 2.617 3.587 . 0 0 "[ . 1 . 2]" 1 825 1 60 HIS H 1 61 ILE H . . 4.500 4.316 4.158 4.473 . 0 0 "[ . 1 . 2]" 1 826 1 60 HIS H 1 72 LEU HA . . 4.960 4.124 3.788 4.544 . 0 0 "[ . 1 . 2]" 1 827 1 60 HIS H 1 73 GLU H . . 3.770 2.391 2.071 2.702 . 0 0 "[ . 1 . 2]" 1 828 1 60 HIS H 1 73 GLU QB . . 4.350 3.083 2.854 3.416 . 0 0 "[ . 1 . 2]" 1 829 1 60 HIS H 1 73 GLU QG . . 4.980 4.471 3.549 4.978 . 0 0 "[ . 1 . 2]" 1 830 1 60 HIS H 1 74 GLY HA2 . . 5.240 4.985 4.729 5.242 0.002 4 0 "[ . 1 . 2]" 1 831 1 60 HIS H 1 74 GLY HA3 . . 4.410 4.125 3.873 4.412 0.002 4 0 "[ . 1 . 2]" 1 832 1 60 HIS HA 1 61 ILE H . . 3.070 2.146 2.139 2.155 . 0 0 "[ . 1 . 2]" 1 833 1 60 HIS HA 1 61 ILE HB . . 4.690 4.659 4.602 4.692 0.002 19 0 "[ . 1 . 2]" 1 834 1 60 HIS QB 1 73 GLU QB . . 3.480 2.019 1.911 2.190 . 0 0 "[ . 1 . 2]" 1 835 1 60 HIS QB 1 73 GLU QG . . 4.030 3.548 2.712 3.790 . 0 0 "[ . 1 . 2]" 1 836 1 60 HIS HB2 1 61 ILE H . . 4.570 4.471 4.380 4.555 . 0 0 "[ . 1 . 2]" 1 837 1 60 HIS HB2 1 73 GLU H . . 4.310 3.664 3.001 4.312 0.002 4 0 "[ . 1 . 2]" 1 838 1 60 HIS HB2 1 73 GLU HB2 . . 4.990 3.223 1.998 4.991 0.001 4 0 "[ . 1 . 2]" 1 839 1 60 HIS HB2 1 73 GLU HB3 . . 4.990 3.240 2.005 4.522 . 0 0 "[ . 1 . 2]" 1 840 1 60 HIS HB3 1 61 ILE H . . 4.570 3.868 3.347 4.281 . 0 0 "[ . 1 . 2]" 1 841 1 60 HIS HB3 1 73 GLU H . . 4.310 3.632 2.873 4.291 . 0 0 "[ . 1 . 2]" 1 842 1 60 HIS HB3 1 73 GLU HB2 . . 4.990 3.339 2.001 4.884 . 0 0 "[ . 1 . 2]" 1 843 1 60 HIS HB3 1 73 GLU HB3 . . 4.990 3.613 2.009 4.995 0.005 5 0 "[ . 1 . 2]" 1 844 1 60 HIS HD2 1 73 GLU QB . . 4.240 3.713 3.348 4.239 . 0 0 "[ . 1 . 2]" 1 845 1 60 HIS HD2 1 73 GLU QG . . 5.370 4.693 2.775 5.372 0.002 7 0 "[ . 1 . 2]" 1 846 1 61 ILE H 1 61 ILE HB . . 3.440 2.542 2.474 2.606 . 0 0 "[ . 1 . 2]" 1 847 1 61 ILE H 1 61 ILE MD . . 4.400 3.568 3.268 3.833 . 0 0 "[ . 1 . 2]" 1 848 1 61 ILE H 1 61 ILE HG12 . . 3.840 3.748 3.612 3.831 . 0 0 "[ . 1 . 2]" 1 849 1 61 ILE H 1 61 ILE HG13 . . 3.790 2.402 2.224 2.542 . 0 0 "[ . 1 . 2]" 1 850 1 61 ILE H 1 61 ILE MG . . 4.290 3.799 3.772 3.829 . 0 0 "[ . 1 . 2]" 1 851 1 61 ILE H 1 62 GLU H . . 4.780 4.479 4.361 4.544 . 0 0 "[ . 1 . 2]" 1 852 1 61 ILE HA 1 61 ILE MD . . 4.390 3.879 3.841 3.912 . 0 0 "[ . 1 . 2]" 1 853 1 61 ILE HA 1 61 ILE MG . . 3.650 2.348 2.244 2.439 . 0 0 "[ . 1 . 2]" 1 854 1 61 ILE HA 1 62 GLU H . . 3.170 2.159 2.140 2.186 . 0 0 "[ . 1 . 2]" 1 855 1 61 ILE HA 1 70 ILE MG . . 4.610 3.370 3.046 3.724 . 0 0 "[ . 1 . 2]" 1 856 1 61 ILE HA 1 72 LEU HA . . 4.320 3.206 3.010 3.371 . 0 0 "[ . 1 . 2]" 1 857 1 61 ILE HA 1 72 LEU HG . . 5.280 5.056 4.914 5.283 0.003 14 0 "[ . 1 . 2]" 1 858 1 61 ILE HA 1 73 GLU H . . 4.860 4.490 4.342 4.667 . 0 0 "[ . 1 . 2]" 1 859 1 61 ILE HB 1 61 ILE MD . . 3.210 2.309 2.150 2.407 . 0 0 "[ . 1 . 2]" 1 860 1 61 ILE HB 1 62 GLU H . . 4.350 4.146 4.012 4.350 0.000 13 0 "[ . 1 . 2]" 1 861 1 61 ILE MD 1 61 ILE MG . . 2.880 2.197 1.961 2.439 . 0 0 "[ . 1 . 2]" 1 862 1 61 ILE HG12 1 61 ILE MG . . 3.530 2.222 2.055 2.339 . 0 0 "[ . 1 . 2]" 1 863 1 61 ILE HG12 1 62 GLU H . . 4.600 4.469 4.294 4.601 0.001 13 0 "[ . 1 . 2]" 1 864 1 61 ILE HG12 1 70 ILE MG . . 4.500 3.799 3.422 4.155 . 0 0 "[ . 1 . 2]" 1 865 1 61 ILE HG12 1 72 LEU MD1 . . 3.830 2.150 1.854 2.523 . 0 0 "[ . 1 . 2]" 1 866 1 61 ILE MG 1 62 GLU H . . 3.650 2.397 2.108 2.861 . 0 0 "[ . 1 . 2]" 1 867 1 61 ILE MG 1 63 PHE QD . . 4.600 3.402 2.769 3.885 . 0 0 "[ . 1 . 2]" 1 868 1 61 ILE MG 1 63 PHE QE . . 4.590 2.963 2.320 3.525 . 0 0 "[ . 1 . 2]" 1 869 1 61 ILE MG 1 63 PHE HZ . . 4.680 3.967 3.795 4.227 . 0 0 "[ . 1 . 2]" 1 870 1 61 ILE MG 1 70 ILE MG . . 3.320 2.180 1.927 2.450 . 0 0 "[ . 1 . 2]" 1 871 1 61 ILE MG 1 71 THR H . . 5.200 4.604 4.225 4.856 . 0 0 "[ . 1 . 2]" 1 872 1 62 GLU H 1 62 GLU HB2 . . 3.870 3.093 2.758 3.337 . 0 0 "[ . 1 . 2]" 1 873 1 62 GLU H 1 62 GLU HB3 . . 3.870 2.695 2.577 2.887 . 0 0 "[ . 1 . 2]" 1 874 1 62 GLU H 1 62 GLU QG . . 4.250 4.079 4.005 4.164 . 0 0 "[ . 1 . 2]" 1 875 1 62 GLU H 1 63 PHE H . . 4.800 4.437 4.383 4.502 . 0 0 "[ . 1 . 2]" 1 876 1 62 GLU H 1 70 ILE HA . . 4.760 4.314 3.930 4.767 0.007 12 0 "[ . 1 . 2]" 1 877 1 62 GLU H 1 70 ILE MG . . 4.230 2.647 2.334 3.048 . 0 0 "[ . 1 . 2]" 1 878 1 62 GLU H 1 71 THR H . . 3.730 3.328 3.041 3.699 . 0 0 "[ . 1 . 2]" 1 879 1 62 GLU H 1 71 THR HB . . 4.580 3.997 3.385 4.582 0.002 12 0 "[ . 1 . 2]" 1 880 1 62 GLU H 1 72 LEU HA . . 4.430 3.922 3.359 4.174 . 0 0 "[ . 1 . 2]" 1 881 1 62 GLU H 1 72 LEU MD1 . . 4.230 3.279 2.937 3.662 . 0 0 "[ . 1 . 2]" 1 882 1 62 GLU H 1 72 LEU MD2 . . 4.530 3.636 3.355 4.167 . 0 0 "[ . 1 . 2]" 1 883 1 62 GLU HA 1 62 GLU QG . . 3.890 2.588 2.225 2.964 . 0 0 "[ . 1 . 2]" 1 884 1 62 GLU HA 1 63 PHE H . . 3.050 2.245 2.181 2.294 . 0 0 "[ . 1 . 2]" 1 885 1 62 GLU HA 1 63 PHE HB2 . . 4.830 4.187 4.127 4.225 . 0 0 "[ . 1 . 2]" 1 886 1 62 GLU QB 1 63 PHE H . . 3.780 3.520 3.351 3.637 . 0 0 "[ . 1 . 2]" 1 887 1 62 GLU QB 1 71 THR H . . 4.090 2.754 2.007 3.117 . 0 0 "[ . 1 . 2]" 1 888 1 62 GLU QB 1 71 THR HB . . 3.660 2.172 1.950 3.195 . 0 0 "[ . 1 . 2]" 1 889 1 62 GLU HB2 1 63 PHE H . . 4.340 4.025 3.861 4.224 . 0 0 "[ . 1 . 2]" 1 890 1 62 GLU HB2 1 71 THR H . . 4.820 4.443 3.701 4.820 . 0 0 "[ . 1 . 2]" 1 891 1 62 GLU HB2 1 71 THR HB . . 4.320 3.435 2.697 4.325 0.005 12 0 "[ . 1 . 2]" 1 892 1 62 GLU HB3 1 63 PHE H . . 4.340 3.899 3.548 4.071 . 0 0 "[ . 1 . 2]" 1 893 1 62 GLU HB3 1 71 THR H . . 4.820 2.782 2.016 3.161 . 0 0 "[ . 1 . 2]" 1 894 1 62 GLU HB3 1 71 THR HB . . 4.320 2.202 1.998 3.297 . 0 0 "[ . 1 . 2]" 1 895 1 62 GLU QG 1 63 PHE H . . 4.000 2.282 2.027 2.592 . 0 0 "[ . 1 . 2]" 1 896 1 62 GLU QG 1 64 THR H . . 4.650 4.262 3.415 4.611 . 0 0 "[ . 1 . 2]" 1 897 1 62 GLU QG 1 71 THR HB . . 4.480 3.500 2.647 4.425 . 0 0 "[ . 1 . 2]" 1 898 1 63 PHE H 1 63 PHE HB2 . . 3.670 2.471 2.357 2.637 . 0 0 "[ . 1 . 2]" 1 899 1 63 PHE H 1 63 PHE HB3 . . 3.850 3.601 3.548 3.675 . 0 0 "[ . 1 . 2]" 1 900 1 63 PHE H 1 63 PHE QD . . 4.050 3.700 3.454 3.945 . 0 0 "[ . 1 . 2]" 1 901 1 63 PHE HA 1 63 PHE QD . . 4.130 2.496 2.260 2.801 . 0 0 "[ . 1 . 2]" 1 902 1 63 PHE HA 1 64 THR H . . 3.300 2.159 2.138 2.216 . 0 0 "[ . 1 . 2]" 1 903 1 63 PHE HA 1 70 ILE HA . . 4.290 3.114 2.924 3.337 . 0 0 "[ . 1 . 2]" 1 904 1 63 PHE HA 1 71 THR H . . 4.410 4.072 3.627 4.405 . 0 0 "[ . 1 . 2]" 1 905 1 63 PHE HB2 1 64 THR H . . 4.800 4.409 4.257 4.599 . 0 0 "[ . 1 . 2]" 1 906 1 63 PHE HB3 1 64 THR H . . 4.340 3.426 3.107 3.979 . 0 0 "[ . 1 . 2]" 1 907 1 63 PHE QD 1 64 THR H . . 4.240 3.305 2.963 3.852 . 0 0 "[ . 1 . 2]" 1 908 1 63 PHE QD 1 69 LYS H . . 5.190 5.106 4.875 5.189 . 0 0 "[ . 1 . 2]" 1 909 1 63 PHE QD 1 70 ILE MD . . 4.910 3.783 3.472 4.099 . 0 0 "[ . 1 . 2]" 1 910 1 63 PHE QD 1 70 ILE HG12 . . 4.750 2.876 2.629 3.091 . 0 0 "[ . 1 . 2]" 1 911 1 63 PHE QD 1 70 ILE MG . . 4.680 4.024 3.744 4.240 . 0 0 "[ . 1 . 2]" 1 912 1 63 PHE QE 1 70 ILE MD . . 3.960 2.116 1.901 2.481 . 0 0 "[ . 1 . 2]" 1 913 1 63 PHE QE 1 70 ILE MG . . 5.220 3.730 3.360 3.991 . 0 0 "[ . 1 . 2]" 1 914 1 63 PHE HZ 1 70 ILE MD . . 4.760 2.680 2.334 3.020 . 0 0 "[ . 1 . 2]" 1 915 1 64 THR H 1 64 THR HB . . 3.760 3.252 2.615 3.730 . 0 0 "[ . 1 . 2]" 1 916 1 64 THR H 1 64 THR MG . . 4.050 3.148 2.072 3.942 . 0 0 "[ . 1 . 2]" 1 917 1 64 THR H 1 69 LYS H . . 4.370 3.451 3.173 3.703 . 0 0 "[ . 1 . 2]" 1 918 1 64 THR H 1 70 ILE HA . . 4.000 3.803 3.397 4.004 0.004 15 0 "[ . 1 . 2]" 1 919 1 64 THR HA 1 64 THR MG . . 3.450 2.337 2.081 3.198 . 0 0 "[ . 1 . 2]" 1 920 1 64 THR HA 1 65 GLU H . . 3.270 2.298 2.142 2.641 . 0 0 "[ . 1 . 2]" 1 921 1 64 THR HA 1 66 GLY H . . 5.120 4.391 3.748 5.034 . 0 0 "[ . 1 . 2]" 1 922 1 64 THR HA 1 69 LYS H . . 5.500 5.247 4.912 5.531 0.031 18 0 "[ . 1 . 2]" 1 923 1 64 THR HB 1 65 GLU H . . 4.460 3.231 2.085 4.243 . 0 0 "[ . 1 . 2]" 1 924 1 64 THR HB 1 67 GLU H . . 4.730 2.981 1.954 4.552 . 0 0 "[ . 1 . 2]" 1 925 1 64 THR HB 1 67 GLU HB2 . . 4.090 2.209 2.000 2.881 . 0 0 "[ . 1 . 2]" 1 926 1 64 THR HB 1 67 GLU HB3 . . 4.090 3.844 3.526 4.086 . 0 0 "[ . 1 . 2]" 1 927 1 64 THR HB 1 67 GLU HG2 . . 4.630 4.088 2.897 4.628 . 0 0 "[ . 1 . 2]" 1 928 1 64 THR HB 1 67 GLU QG . . 3.990 3.452 2.791 3.993 0.003 11 0 "[ . 1 . 2]" 1 929 1 64 THR HB 1 67 GLU HG3 . . 4.630 3.896 2.995 4.586 . 0 0 "[ . 1 . 2]" 1 930 1 64 THR HB 1 68 ASP H . . 5.130 3.408 2.562 4.901 . 0 0 "[ . 1 . 2]" 1 931 1 64 THR HB 1 69 LYS H . . 4.530 3.561 2.491 4.224 . 0 0 "[ . 1 . 2]" 1 932 1 64 THR HB 1 69 LYS QG . . 4.590 3.872 3.206 4.413 . 0 0 "[ . 1 . 2]" 1 933 1 64 THR MG 1 65 GLU H . . 4.070 3.177 2.158 3.808 . 0 0 "[ . 1 . 2]" 1 934 1 64 THR MG 1 66 GLY H . . 5.030 3.713 2.115 4.845 . 0 0 "[ . 1 . 2]" 1 935 1 64 THR MG 1 67 GLU H . . 3.910 2.972 1.907 3.870 . 0 0 "[ . 1 . 2]" 1 936 1 64 THR MG 1 67 GLU HB2 . . 3.930 2.257 1.893 2.588 . 0 0 "[ . 1 . 2]" 1 937 1 64 THR MG 1 67 GLU QB . . 3.420 2.222 1.818 2.548 . 0 0 "[ . 1 . 2]" 1 938 1 64 THR MG 1 67 GLU HB3 . . 3.930 3.374 2.351 3.873 . 0 0 "[ . 1 . 2]" 1 939 1 64 THR MG 1 67 GLU HG2 . . 4.130 3.177 2.122 4.021 . 0 0 "[ . 1 . 2]" 1 940 1 64 THR MG 1 67 GLU QG . . 3.440 2.590 1.924 3.441 0.001 18 0 "[ . 1 . 2]" 1 941 1 64 THR MG 1 67 GLU HG3 . . 4.130 3.029 1.936 4.050 . 0 0 "[ . 1 . 2]" 1 942 1 64 THR MG 1 68 ASP H . . 4.650 3.748 1.870 4.640 . 0 0 "[ . 1 . 2]" 1 943 1 64 THR MG 1 69 LYS H . . 4.730 3.725 1.742 4.426 . 0 0 "[ . 1 . 2]" 1 944 1 64 THR MG 1 69 LYS QE . . 4.780 3.998 2.831 4.771 . 0 0 "[ . 1 . 2]" 1 945 1 65 GLU H 1 65 GLU QB . . 3.390 2.522 2.246 3.043 . 0 0 "[ . 1 . 2]" 1 946 1 65 GLU H 1 65 GLU QG . . 4.470 2.810 1.928 4.091 . 0 0 "[ . 1 . 2]" 1 947 1 65 GLU H 1 66 GLY H . . 4.520 2.549 1.814 3.182 . 0 0 "[ . 1 . 2]" 1 948 1 65 GLU HA 1 68 ASP H . . 4.720 4.272 3.526 4.719 . 0 0 "[ . 1 . 2]" 1 949 1 65 GLU QB 1 66 GLY H . . 4.240 2.899 1.895 4.048 . 0 0 "[ . 1 . 2]" 1 950 1 65 GLU QG 1 66 GLY H . . 4.340 3.084 1.883 4.197 . 0 0 "[ . 1 . 2]" 1 951 1 66 GLY H 1 67 GLU H . . 3.990 2.529 1.811 3.232 . 0 0 "[ . 1 . 2]" 1 952 1 66 GLY HA2 1 68 ASP H . . 4.710 3.853 3.532 4.105 . 0 0 "[ . 1 . 2]" 1 953 1 66 GLY HA3 1 68 ASP H . . 4.710 4.222 3.985 4.523 . 0 0 "[ . 1 . 2]" 1 954 1 67 GLU H 1 67 GLU HB2 . . 3.910 2.499 2.293 2.721 . 0 0 "[ . 1 . 2]" 1 955 1 67 GLU H 1 67 GLU QB . . 3.330 2.453 2.266 2.645 . 0 0 "[ . 1 . 2]" 1 956 1 67 GLU H 1 67 GLU HB3 . . 3.910 3.585 3.553 3.603 . 0 0 "[ . 1 . 2]" 1 957 1 67 GLU H 1 67 GLU HG2 . . 4.220 2.962 2.059 4.040 . 0 0 "[ . 1 . 2]" 1 958 1 67 GLU H 1 67 GLU HG3 . . 4.220 3.109 1.903 4.216 . 0 0 "[ . 1 . 2]" 1 959 1 67 GLU H 1 68 ASP H . . 3.670 2.684 2.198 2.889 . 0 0 "[ . 1 . 2]" 1 960 1 67 GLU HA 1 67 GLU HG2 . . 3.820 2.993 2.555 3.737 . 0 0 "[ . 1 . 2]" 1 961 1 67 GLU HA 1 67 GLU HG3 . . 3.820 3.236 2.410 3.795 . 0 0 "[ . 1 . 2]" 1 962 1 67 GLU HA 1 69 LYS H . . 5.250 4.961 4.819 5.052 . 0 0 "[ . 1 . 2]" 1 963 1 67 GLU QB 1 68 ASP H . . 3.490 2.976 2.664 3.302 . 0 0 "[ . 1 . 2]" 1 964 1 67 GLU QB 1 69 LYS H . . 3.610 3.132 2.939 3.350 . 0 0 "[ . 1 . 2]" 1 965 1 67 GLU QB 1 69 LYS QD . . 5.180 3.332 2.610 3.689 . 0 0 "[ . 1 . 2]" 1 966 1 67 GLU QB 1 69 LYS QE . . 4.210 2.305 1.960 3.687 . 0 0 "[ . 1 . 2]" 1 967 1 67 GLU QB 1 69 LYS QG . . 4.190 2.064 1.897 2.419 . 0 0 "[ . 1 . 2]" 1 968 1 67 GLU HB2 1 68 ASP H . . 4.090 3.084 2.722 3.510 . 0 0 "[ . 1 . 2]" 1 969 1 67 GLU HB2 1 69 LYS H . . 4.290 3.328 3.053 3.742 . 0 0 "[ . 1 . 2]" 1 970 1 67 GLU HB2 1 69 LYS QE . . 4.790 3.509 3.103 4.500 . 0 0 "[ . 1 . 2]" 1 971 1 67 GLU HB2 1 69 LYS QG . . 4.800 2.716 2.484 3.414 . 0 0 "[ . 1 . 2]" 1 972 1 67 GLU HB3 1 68 ASP H . . 4.090 3.949 3.753 4.120 0.030 15 0 "[ . 1 . 2]" 1 973 1 67 GLU HB3 1 69 LYS H . . 4.290 3.872 3.560 4.118 . 0 0 "[ . 1 . 2]" 1 974 1 67 GLU HB3 1 69 LYS QE . . 4.790 2.361 1.981 3.916 . 0 0 "[ . 1 . 2]" 1 975 1 67 GLU HB3 1 69 LYS QG . . 4.800 2.147 1.960 2.560 . 0 0 "[ . 1 . 2]" 1 976 1 67 GLU QG 1 69 LYS QD . . 5.180 4.584 3.868 5.079 . 0 0 "[ . 1 . 2]" 1 977 1 67 GLU QG 1 69 LYS QE . . 4.960 3.204 2.165 4.228 . 0 0 "[ . 1 . 2]" 1 978 1 67 GLU QG 1 69 LYS QG . . 4.660 3.749 3.489 4.202 . 0 0 "[ . 1 . 2]" 1 979 1 68 ASP H 1 68 ASP QB . . 3.690 3.113 2.899 3.412 . 0 0 "[ . 1 . 2]" 1 980 1 68 ASP H 1 69 LYS H . . 3.610 2.929 2.750 3.126 . 0 0 "[ . 1 . 2]" 1 981 1 68 ASP H 1 69 LYS QG . . 5.170 4.324 4.018 4.785 . 0 0 "[ . 1 . 2]" 1 982 1 68 ASP HA 1 69 LYS H . . 3.410 2.660 2.613 2.725 . 0 0 "[ . 1 . 2]" 1 983 1 68 ASP QB 1 69 LYS H . . 4.270 3.943 3.884 4.039 . 0 0 "[ . 1 . 2]" 1 984 1 69 LYS H 1 69 LYS HB2 . . 4.100 3.984 3.937 4.004 . 0 0 "[ . 1 . 2]" 1 985 1 69 LYS H 1 69 LYS HB3 . . 3.670 3.269 3.133 3.492 . 0 0 "[ . 1 . 2]" 1 986 1 69 LYS H 1 69 LYS QG . . 3.550 2.688 2.470 2.818 . 0 0 "[ . 1 . 2]" 1 987 1 69 LYS H 1 70 ILE H . . 4.540 4.378 4.361 4.398 . 0 0 "[ . 1 . 2]" 1 988 1 69 LYS HA 1 70 ILE H . . 3.100 2.394 2.345 2.450 . 0 0 "[ . 1 . 2]" 1 989 1 69 LYS HA 1 70 ILE HB . . 5.010 4.700 4.587 4.800 . 0 0 "[ . 1 . 2]" 1 990 1 69 LYS HB2 1 69 LYS QE . . 4.270 3.759 3.058 4.144 . 0 0 "[ . 1 . 2]" 1 991 1 69 LYS HB2 1 70 ILE H . . 3.790 2.542 2.416 2.662 . 0 0 "[ . 1 . 2]" 1 992 1 69 LYS HB3 1 69 LYS QE . . 4.930 3.466 2.101 4.298 . 0 0 "[ . 1 . 2]" 1 993 1 69 LYS HB3 1 70 ILE H . . 4.290 3.897 3.777 3.992 . 0 0 "[ . 1 . 2]" 1 994 1 69 LYS QD 1 70 ILE H . . 4.600 4.035 2.967 4.433 . 0 0 "[ . 1 . 2]" 1 995 1 69 LYS QE 1 69 LYS QG . . 3.280 2.172 2.044 2.379 . 0 0 "[ . 1 . 2]" 1 996 1 69 LYS QG 1 70 ILE H . . 4.650 3.319 2.751 4.031 . 0 0 "[ . 1 . 2]" 1 997 1 69 LYS QG 1 71 THR H . . 4.860 4.041 3.527 4.861 0.001 18 0 "[ . 1 . 2]" 1 998 1 70 ILE H 1 70 ILE HB . . 3.430 2.589 2.529 2.667 . 0 0 "[ . 1 . 2]" 1 999 1 70 ILE H 1 70 ILE MD . . 4.450 3.767 3.646 3.945 . 0 0 "[ . 1 . 2]" 1 1000 1 70 ILE H 1 70 ILE HG12 . . 4.510 3.933 3.758 4.120 . 0 0 "[ . 1 . 2]" 1 1001 1 70 ILE H 1 70 ILE HG13 . . 3.910 2.656 2.471 2.857 . 0 0 "[ . 1 . 2]" 1 1002 1 70 ILE H 1 70 ILE MG . . 4.170 3.827 3.797 3.860 . 0 0 "[ . 1 . 2]" 1 1003 1 70 ILE H 1 71 THR H . . 4.610 4.326 4.213 4.402 . 0 0 "[ . 1 . 2]" 1 1004 1 70 ILE HA 1 70 ILE MD . . 4.670 3.870 3.837 3.915 . 0 0 "[ . 1 . 2]" 1 1005 1 70 ILE HA 1 70 ILE HG12 . . 4.110 2.635 2.551 2.731 . 0 0 "[ . 1 . 2]" 1 1006 1 70 ILE HA 1 70 ILE MG . . 3.670 2.378 2.234 2.444 . 0 0 "[ . 1 . 2]" 1 1007 1 70 ILE HA 1 71 THR H . . 3.010 2.142 2.138 2.153 . 0 0 "[ . 1 . 2]" 1 1008 1 70 ILE HB 1 70 ILE MD . . 3.570 2.363 2.245 2.436 . 0 0 "[ . 1 . 2]" 1 1009 1 70 ILE HB 1 71 THR H . . 5.150 4.266 4.112 4.395 . 0 0 "[ . 1 . 2]" 1 1010 1 70 ILE HB 1 72 LEU MD2 . . 4.230 2.985 2.742 3.270 . 0 0 "[ . 1 . 2]" 1 1011 1 70 ILE HB 1 86 ILE MG . . 4.330 3.776 3.490 4.111 . 0 0 "[ . 1 . 2]" 1 1012 1 70 ILE MD 1 86 ILE MG . . 3.250 1.908 1.754 2.135 . 0 0 "[ . 1 . 2]" 1 1013 1 70 ILE MD 1 90 VAL MG2 . . 3.190 2.936 2.701 3.193 0.003 20 0 "[ . 1 . 2]" 1 1014 1 70 ILE HG12 1 70 ILE MG . . 3.630 2.221 2.148 2.330 . 0 0 "[ . 1 . 2]" 1 1015 1 70 ILE HG12 1 71 THR H . . 4.640 4.535 4.437 4.637 . 0 0 "[ . 1 . 2]" 1 1016 1 70 ILE MG 1 71 THR H . . 3.520 2.634 2.474 2.852 . 0 0 "[ . 1 . 2]" 1 1017 1 70 ILE MG 1 72 LEU MD2 . . 3.390 1.923 1.792 2.085 . 0 0 "[ . 1 . 2]" 1 1018 1 70 ILE MG 1 72 LEU HG . . 4.410 4.064 3.813 4.386 . 0 0 "[ . 1 . 2]" 1 1019 1 71 THR H 1 71 THR HB . . 3.550 2.680 2.469 3.534 . 0 0 "[ . 1 . 2]" 1 1020 1 71 THR H 1 71 THR MG . . 4.070 3.739 3.035 3.842 . 0 0 "[ . 1 . 2]" 1 1021 1 71 THR H 1 72 LEU MD2 . . 4.780 3.679 3.499 3.975 . 0 0 "[ . 1 . 2]" 1 1022 1 71 THR HA 1 71 THR MG . . 3.400 2.265 2.074 2.437 . 0 0 "[ . 1 . 2]" 1 1023 1 71 THR HA 1 72 LEU H . . 3.210 2.165 2.142 2.210 . 0 0 "[ . 1 . 2]" 1 1024 1 71 THR HA 1 72 LEU MD2 . . 4.430 3.004 2.845 3.158 . 0 0 "[ . 1 . 2]" 1 1025 1 71 THR HB 1 72 LEU H . . 4.310 4.019 3.060 4.245 . 0 0 "[ . 1 . 2]" 1 1026 1 71 THR MG 1 72 LEU H . . 3.710 2.606 2.219 3.494 . 0 0 "[ . 1 . 2]" 1 1027 1 72 LEU H 1 72 LEU QB . . 3.660 2.429 2.362 2.503 . 0 0 "[ . 1 . 2]" 1 1028 1 72 LEU H 1 72 LEU MD2 . . 3.920 2.410 2.046 2.667 . 0 0 "[ . 1 . 2]" 1 1029 1 72 LEU H 1 72 LEU HG . . 4.470 4.342 4.081 4.470 . 0 0 "[ . 1 . 2]" 1 1030 1 72 LEU H 1 73 GLU H . . 5.110 4.463 4.387 4.539 . 0 0 "[ . 1 . 2]" 1 1031 1 72 LEU HA 1 72 LEU MD1 . . 3.900 2.023 1.941 2.159 . 0 0 "[ . 1 . 2]" 1 1032 1 72 LEU HA 1 72 LEU MD2 . . 4.510 2.851 2.504 3.090 . 0 0 "[ . 1 . 2]" 1 1033 1 72 LEU HA 1 72 LEU HG . . 4.130 3.715 3.632 3.780 . 0 0 "[ . 1 . 2]" 1 1034 1 72 LEU HA 1 73 GLU H . . 3.020 2.224 2.166 2.320 . 0 0 "[ . 1 . 2]" 1 1035 1 72 LEU QB 1 72 LEU MD1 . . 3.220 2.294 2.218 2.388 . 0 0 "[ . 1 . 2]" 1 1036 1 72 LEU QB 1 72 LEU MD2 . . 3.160 2.197 2.123 2.349 . 0 0 "[ . 1 . 2]" 1 1037 1 72 LEU QB 1 73 GLU H . . 3.820 2.888 2.592 3.120 . 0 0 "[ . 1 . 2]" 1 1038 1 72 LEU QB 1 79 VAL MG1 . . 3.600 2.278 1.983 2.693 . 0 0 "[ . 1 . 2]" 1 1039 1 72 LEU HB2 1 72 LEU MD2 . . 3.650 2.240 2.158 2.417 . 0 0 "[ . 1 . 2]" 1 1040 1 72 LEU HB2 1 73 GLU H . . 4.530 4.093 3.892 4.262 . 0 0 "[ . 1 . 2]" 1 1041 1 72 LEU HB3 1 72 LEU MD2 . . 3.650 3.181 3.153 3.192 . 0 0 "[ . 1 . 2]" 1 1042 1 72 LEU HB3 1 73 GLU H . . 4.530 2.953 2.631 3.208 . 0 0 "[ . 1 . 2]" 1 1043 1 72 LEU MD1 1 79 VAL HA . . 4.670 4.306 3.720 4.572 . 0 0 "[ . 1 . 2]" 1 1044 1 72 LEU MD1 1 82 ALA MB . . 2.970 2.778 2.102 2.971 0.001 2 0 "[ . 1 . 2]" 1 1045 1 72 LEU MD1 1 83 GLN H . . 4.340 4.230 3.758 4.340 0.000 4 0 "[ . 1 . 2]" 1 1046 1 72 LEU MD1 1 83 GLN HA . . 4.050 3.756 3.556 3.892 . 0 0 "[ . 1 . 2]" 1 1047 1 72 LEU MD1 1 83 GLN HB2 . . 5.070 4.848 4.621 5.014 . 0 0 "[ . 1 . 2]" 1 1048 1 72 LEU MD1 1 83 GLN HB3 . . 4.380 4.266 3.874 4.380 0.000 12 0 "[ . 1 . 2]" 1 1049 1 72 LEU MD1 1 86 ILE HB . . 5.120 5.026 4.877 5.118 . 0 0 "[ . 1 . 2]" 1 1050 1 72 LEU MD2 1 83 GLN H . . 5.040 4.815 4.369 5.026 . 0 0 "[ . 1 . 2]" 1 1051 1 72 LEU MD2 1 83 GLN HA . . 3.520 3.289 2.815 3.521 0.001 15 0 "[ . 1 . 2]" 1 1052 1 72 LEU MD2 1 83 GLN HB2 . . 3.790 3.523 2.853 3.787 . 0 0 "[ . 1 . 2]" 1 1053 1 72 LEU MD2 1 83 GLN HB3 . . 4.100 3.736 3.056 3.948 . 0 0 "[ . 1 . 2]" 1 1054 1 72 LEU MD2 1 86 ILE HB . . 4.570 4.458 4.282 4.569 . 0 0 "[ . 1 . 2]" 1 1055 1 72 LEU HG 1 73 GLU H . . 5.150 5.002 4.745 5.154 0.004 4 0 "[ . 1 . 2]" 1 1056 1 73 GLU H 1 73 GLU HB2 . . 3.990 2.977 2.569 3.483 . 0 0 "[ . 1 . 2]" 1 1057 1 73 GLU H 1 73 GLU QB . . 3.500 2.592 2.393 2.737 . 0 0 "[ . 1 . 2]" 1 1058 1 73 GLU H 1 73 GLU HB3 . . 3.990 3.275 2.452 3.869 . 0 0 "[ . 1 . 2]" 1 1059 1 73 GLU H 1 73 GLU QG . . 4.080 3.550 2.947 4.113 0.033 4 0 "[ . 1 . 2]" 1 1060 1 73 GLU H 1 74 GLY H . . 4.480 4.267 4.108 4.367 . 0 0 "[ . 1 . 2]" 1 1061 1 73 GLU HA 1 74 GLY H . . 2.990 2.156 2.143 2.181 . 0 0 "[ . 1 . 2]" 1 1062 1 73 GLU HA 1 79 VAL MG2 . . 4.210 3.632 3.420 3.872 . 0 0 "[ . 1 . 2]" 1 1063 1 73 GLU QB 1 74 GLY H . . 3.950 3.438 3.034 3.813 . 0 0 "[ . 1 . 2]" 1 1064 1 73 GLU HB2 1 74 GLY H . . 4.550 4.194 3.869 4.369 . 0 0 "[ . 1 . 2]" 1 1065 1 73 GLU HB3 1 74 GLY H . . 4.550 3.748 3.122 4.370 . 0 0 "[ . 1 . 2]" 1 1066 1 73 GLU QG 1 74 GLY H . . 4.190 3.496 2.608 4.184 . 0 0 "[ . 1 . 2]" 1 1067 1 74 GLY H 1 75 PRO HD2 . . 5.300 4.769 4.750 4.788 . 0 0 "[ . 1 . 2]" 1 1068 1 74 GLY H 1 75 PRO QD . . 4.460 4.341 4.335 4.346 . 0 0 "[ . 1 . 2]" 1 1069 1 74 GLY H 1 75 PRO HD3 . . 5.300 4.993 4.967 5.020 . 0 0 "[ . 1 . 2]" 1 1070 1 74 GLY H 1 79 VAL MG2 . . 3.350 2.878 2.589 3.119 . 0 0 "[ . 1 . 2]" 1 1071 1 74 GLY HA2 1 75 PRO QD . . 3.530 2.470 2.419 2.531 . 0 0 "[ . 1 . 2]" 1 1072 1 74 GLY HA2 1 79 VAL MG2 . . 4.310 3.712 3.430 4.063 . 0 0 "[ . 1 . 2]" 1 1073 1 74 GLY HA3 1 75 PRO QD . . 3.570 2.089 2.039 2.134 . 0 0 "[ . 1 . 2]" 1 1074 1 74 GLY HA3 1 75 PRO HG3 . . 4.790 4.722 4.663 4.773 . 0 0 "[ . 1 . 2]" 1 1075 1 74 GLY HA3 1 79 VAL MG2 . . 4.210 2.675 2.381 3.088 . 0 0 "[ . 1 . 2]" 1 1076 1 75 PRO HA 1 76 THR H . . 3.130 2.155 2.149 2.167 . 0 0 "[ . 1 . 2]" 1 1077 1 75 PRO HA 1 77 GLU H . . 5.020 3.786 3.608 4.048 . 0 0 "[ . 1 . 2]" 1 1078 1 75 PRO QB 1 77 GLU QB . . 3.850 2.720 2.484 3.371 . 0 0 "[ . 1 . 2]" 1 1079 1 75 PRO QB 1 78 ASP H . . 3.790 2.878 2.787 2.978 . 0 0 "[ . 1 . 2]" 1 1080 1 75 PRO HB2 1 76 THR H . . 4.240 3.539 3.415 3.689 . 0 0 "[ . 1 . 2]" 1 1081 1 75 PRO HB2 1 78 ASP H . . 4.520 2.913 2.819 3.020 . 0 0 "[ . 1 . 2]" 1 1082 1 75 PRO HB3 1 76 THR H . . 4.240 4.005 3.922 4.108 . 0 0 "[ . 1 . 2]" 1 1083 1 75 PRO HB3 1 78 ASP H . . 4.520 4.469 4.393 4.529 0.009 14 0 "[ . 1 . 2]" 1 1084 1 75 PRO QD 1 78 ASP QB . . 3.830 2.708 2.382 2.994 . 0 0 "[ . 1 . 2]" 1 1085 1 75 PRO QD 1 79 VAL MG2 . . 4.100 3.139 2.878 3.521 . 0 0 "[ . 1 . 2]" 1 1086 1 75 PRO HD2 1 79 VAL MG2 . . 4.670 3.230 2.953 3.650 . 0 0 "[ . 1 . 2]" 1 1087 1 75 PRO HD3 1 79 VAL MG2 . . 4.670 4.276 3.979 4.626 . 0 0 "[ . 1 . 2]" 1 1088 1 75 PRO HG2 1 78 ASP H . . 3.470 2.382 2.161 2.615 . 0 0 "[ . 1 . 2]" 1 1089 1 75 PRO HG2 1 78 ASP HB2 . . 4.470 2.122 2.000 2.357 . 0 0 "[ . 1 . 2]" 1 1090 1 75 PRO HG2 1 78 ASP HB3 . . 4.470 3.600 2.356 3.863 . 0 0 "[ . 1 . 2]" 1 1091 1 75 PRO HG2 1 79 VAL H . . 4.220 3.499 3.257 3.815 . 0 0 "[ . 1 . 2]" 1 1092 1 75 PRO HG3 1 78 ASP H . . 4.490 3.991 3.808 4.222 . 0 0 "[ . 1 . 2]" 1 1093 1 76 THR H 1 76 THR HB . . 3.500 2.560 2.483 2.732 . 0 0 "[ . 1 . 2]" 1 1094 1 76 THR H 1 76 THR MG . . 4.080 2.307 1.942 3.768 . 0 0 "[ . 1 . 2]" 1 1095 1 76 THR H 1 77 GLU H . . 4.150 2.901 2.838 2.994 . 0 0 "[ . 1 . 2]" 1 1096 1 76 THR HA 1 76 THR MG . . 3.450 3.151 2.287 3.207 . 0 0 "[ . 1 . 2]" 1 1097 1 76 THR HA 1 78 ASP H . . 4.960 4.664 4.321 4.902 . 0 0 "[ . 1 . 2]" 1 1098 1 76 THR HA 1 79 VAL H . . 4.000 3.664 3.346 3.916 . 0 0 "[ . 1 . 2]" 1 1099 1 76 THR HA 1 79 VAL HB . . 3.890 2.239 2.100 2.420 . 0 0 "[ . 1 . 2]" 1 1100 1 76 THR HA 1 79 VAL MG1 . . 4.420 3.550 3.382 3.706 . 0 0 "[ . 1 . 2]" 1 1101 1 76 THR HA 1 79 VAL MG2 . . 4.130 2.899 2.335 3.323 . 0 0 "[ . 1 . 2]" 1 1102 1 76 THR HA 1 80 SER H . . 4.570 3.636 3.366 3.891 . 0 0 "[ . 1 . 2]" 1 1103 1 76 THR HB 1 77 GLU H . . 4.120 3.999 2.603 4.121 0.001 7 0 "[ . 1 . 2]" 1 1104 1 76 THR MG 1 77 GLU H . . 4.220 2.158 1.885 3.533 . 0 0 "[ . 1 . 2]" 1 1105 1 76 THR MG 1 77 GLU HA . . 4.070 3.354 3.104 3.613 . 0 0 "[ . 1 . 2]" 1 1106 1 76 THR MG 1 77 GLU QB . . 4.510 3.218 3.037 4.503 . 0 0 "[ . 1 . 2]" 1 1107 1 76 THR MG 1 77 GLU QG . . 5.350 4.690 4.060 5.266 . 0 0 "[ . 1 . 2]" 1 1108 1 76 THR MG 1 79 VAL HB . . 5.220 4.851 3.300 5.045 . 0 0 "[ . 1 . 2]" 1 1109 1 77 GLU H 1 77 GLU QB . . 3.370 2.239 2.177 2.254 . 0 0 "[ . 1 . 2]" 1 1110 1 77 GLU H 1 77 GLU QG . . 4.100 3.732 2.624 4.047 . 0 0 "[ . 1 . 2]" 1 1111 1 77 GLU H 1 78 ASP H . . 3.570 2.823 2.715 2.956 . 0 0 "[ . 1 . 2]" 1 1112 1 77 GLU H 1 79 VAL H . . 4.860 4.075 3.877 4.286 . 0 0 "[ . 1 . 2]" 1 1113 1 77 GLU HA 1 77 GLU QG . . 3.550 2.787 2.351 3.306 . 0 0 "[ . 1 . 2]" 1 1114 1 77 GLU HA 1 79 VAL H . . 5.030 4.911 4.714 5.030 0.000 19 0 "[ . 1 . 2]" 1 1115 1 77 GLU HA 1 80 SER H . . 4.400 4.170 4.078 4.341 . 0 0 "[ . 1 . 2]" 1 1116 1 77 GLU QB 1 78 ASP H . . 3.760 2.470 2.163 3.337 . 0 0 "[ . 1 . 2]" 1 1117 1 77 GLU QG 1 78 ASP H . . 3.480 2.988 1.854 3.463 . 0 0 "[ . 1 . 2]" 1 1118 1 77 GLU QG 1 81 VAL MG2 . . 4.010 3.800 3.390 4.008 . 0 0 "[ . 1 . 2]" 1 1119 1 78 ASP H 1 78 ASP HB2 . . 3.720 2.413 2.233 2.577 . 0 0 "[ . 1 . 2]" 1 1120 1 78 ASP H 1 78 ASP QB . . 3.190 2.367 2.210 2.524 . 0 0 "[ . 1 . 2]" 1 1121 1 78 ASP H 1 78 ASP HB3 . . 3.720 3.509 2.726 3.615 . 0 0 "[ . 1 . 2]" 1 1122 1 78 ASP H 1 79 VAL H . . 3.180 2.518 2.358 2.632 . 0 0 "[ . 1 . 2]" 1 1123 1 78 ASP H 1 79 VAL HB . . 4.940 4.688 4.562 4.783 . 0 0 "[ . 1 . 2]" 1 1124 1 78 ASP H 1 79 VAL MG2 . . 4.280 3.851 3.619 4.054 . 0 0 "[ . 1 . 2]" 1 1125 1 78 ASP H 1 80 SER H . . 4.440 4.095 3.858 4.236 . 0 0 "[ . 1 . 2]" 1 1126 1 78 ASP HA 1 80 SER H . . 4.860 4.145 3.886 4.345 . 0 0 "[ . 1 . 2]" 1 1127 1 78 ASP HA 1 81 VAL H . . 4.030 3.249 3.109 3.342 . 0 0 "[ . 1 . 2]" 1 1128 1 78 ASP HA 1 81 VAL HB . . 4.150 2.913 2.753 3.212 . 0 0 "[ . 1 . 2]" 1 1129 1 78 ASP HA 1 81 VAL MG2 . . 4.030 2.714 2.174 3.016 . 0 0 "[ . 1 . 2]" 1 1130 1 78 ASP HA 1 82 ALA H . . 4.490 4.012 3.895 4.175 . 0 0 "[ . 1 . 2]" 1 1131 1 78 ASP QB 1 79 VAL H . . 3.540 2.490 2.364 2.651 . 0 0 "[ . 1 . 2]" 1 1132 1 78 ASP QB 1 79 VAL MG2 . . 4.710 3.236 3.109 3.408 . 0 0 "[ . 1 . 2]" 1 1133 1 78 ASP HB2 1 79 VAL H . . 4.100 2.663 2.405 3.635 . 0 0 "[ . 1 . 2]" 1 1134 1 78 ASP HB3 1 79 VAL H . . 4.100 3.422 2.417 3.734 . 0 0 "[ . 1 . 2]" 1 1135 1 79 VAL H 1 79 VAL HB . . 3.300 2.624 2.587 2.673 . 0 0 "[ . 1 . 2]" 1 1136 1 79 VAL H 1 79 VAL MG1 . . 3.870 3.768 3.761 3.771 . 0 0 "[ . 1 . 2]" 1 1137 1 79 VAL H 1 79 VAL MG2 . . 3.260 1.963 1.875 2.093 . 0 0 "[ . 1 . 2]" 1 1138 1 79 VAL H 1 80 SER H . . 3.470 2.862 2.760 2.908 . 0 0 "[ . 1 . 2]" 1 1139 1 79 VAL H 1 80 SER QB . . 4.920 4.679 4.542 4.920 0.000 8 0 "[ . 1 . 2]" 1 1140 1 79 VAL H 1 81 VAL MG2 . . 5.500 5.114 4.779 5.312 . 0 0 "[ . 1 . 2]" 1 1141 1 79 VAL HA 1 79 VAL MG1 . . 3.410 2.406 2.303 2.469 . 0 0 "[ . 1 . 2]" 1 1142 1 79 VAL HA 1 79 VAL MG2 . . 3.350 2.400 2.301 2.463 . 0 0 "[ . 1 . 2]" 1 1143 1 79 VAL HA 1 81 VAL H . . 5.030 4.245 3.989 4.569 . 0 0 "[ . 1 . 2]" 1 1144 1 79 VAL HA 1 82 ALA H . . 4.240 3.594 3.344 3.752 . 0 0 "[ . 1 . 2]" 1 1145 1 79 VAL HA 1 82 ALA MB . . 3.580 2.811 2.463 3.025 . 0 0 "[ . 1 . 2]" 1 1146 1 79 VAL HA 1 83 GLN H . . 4.700 3.467 3.261 3.569 . 0 0 "[ . 1 . 2]" 1 1147 1 79 VAL HB 1 80 SER H . . 3.550 2.644 2.527 2.857 . 0 0 "[ . 1 . 2]" 1 1148 1 79 VAL MG1 1 80 SER H . . 3.900 3.497 3.349 3.760 . 0 0 "[ . 1 . 2]" 1 1149 1 79 VAL MG1 1 80 SER HA . . 4.400 3.518 3.327 3.810 . 0 0 "[ . 1 . 2]" 1 1150 1 79 VAL MG1 1 83 GLN HB2 . . 4.150 3.910 3.647 4.133 . 0 0 "[ . 1 . 2]" 1 1151 1 79 VAL MG1 1 83 GLN HB3 . . 4.130 2.624 2.382 2.824 . 0 0 "[ . 1 . 2]" 1 1152 1 79 VAL MG2 1 80 SER H . . 4.130 3.838 3.770 3.921 . 0 0 "[ . 1 . 2]" 1 1153 1 80 SER H 1 80 SER QB . . 3.070 2.265 2.174 2.398 . 0 0 "[ . 1 . 2]" 1 1154 1 80 SER H 1 81 VAL H . . 3.510 2.619 2.477 2.758 . 0 0 "[ . 1 . 2]" 1 1155 1 80 SER H 1 81 VAL HB . . 4.960 4.903 4.782 4.960 0.000 13 0 "[ . 1 . 2]" 1 1156 1 80 SER H 1 81 VAL MG2 . . 4.250 4.053 3.768 4.184 . 0 0 "[ . 1 . 2]" 1 1157 1 80 SER H 1 82 ALA H . . 4.550 4.344 4.022 4.529 . 0 0 "[ . 1 . 2]" 1 1158 1 80 SER H 1 83 GLN HG2 . . 4.430 4.364 4.192 4.434 0.004 20 0 "[ . 1 . 2]" 1 1159 1 80 SER HA 1 83 GLN H . . 4.130 4.055 3.828 4.130 0.000 11 0 "[ . 1 . 2]" 1 1160 1 80 SER HA 1 83 GLN HB2 . . 5.020 4.848 4.715 4.959 . 0 0 "[ . 1 . 2]" 1 1161 1 80 SER HA 1 83 GLN HB3 . . 4.000 3.920 3.720 3.998 . 0 0 "[ . 1 . 2]" 1 1162 1 80 SER HA 1 83 GLN HG2 . . 4.420 2.134 2.012 2.258 . 0 0 "[ . 1 . 2]" 1 1163 1 80 SER QB 1 81 VAL H . . 3.470 2.802 2.479 3.444 . 0 0 "[ . 1 . 2]" 1 1164 1 81 VAL H 1 81 VAL HB . . 3.070 2.520 2.451 2.661 . 0 0 "[ . 1 . 2]" 1 1165 1 81 VAL H 1 81 VAL MG1 . . 3.980 3.771 3.760 3.793 . 0 0 "[ . 1 . 2]" 1 1166 1 81 VAL H 1 81 VAL MG2 . . 3.080 2.232 2.062 2.450 . 0 0 "[ . 1 . 2]" 1 1167 1 81 VAL H 1 82 ALA H . . 3.240 2.595 2.385 2.747 . 0 0 "[ . 1 . 2]" 1 1168 1 81 VAL H 1 82 ALA MB . . 4.620 4.184 4.025 4.300 . 0 0 "[ . 1 . 2]" 1 1169 1 81 VAL H 1 83 GLN H . . 4.930 4.148 3.881 4.427 . 0 0 "[ . 1 . 2]" 1 1170 1 81 VAL HA 1 81 VAL MG1 . . 3.280 2.377 2.173 2.474 . 0 0 "[ . 1 . 2]" 1 1171 1 81 VAL HA 1 81 VAL MG2 . . 3.130 2.389 2.245 2.472 . 0 0 "[ . 1 . 2]" 1 1172 1 81 VAL HA 1 84 GLU H . . 4.100 3.707 3.560 3.930 . 0 0 "[ . 1 . 2]" 1 1173 1 81 VAL HA 1 84 GLU QB . . 3.690 2.793 2.518 2.952 . 0 0 "[ . 1 . 2]" 1 1174 1 81 VAL HA 1 85 GLN H . . 4.380 4.126 3.890 4.318 . 0 0 "[ . 1 . 2]" 1 1175 1 81 VAL HB 1 82 ALA H . . 3.280 2.397 2.206 2.698 . 0 0 "[ . 1 . 2]" 1 1176 1 81 VAL HB 1 82 ALA MB . . 4.070 3.827 3.719 3.955 . 0 0 "[ . 1 . 2]" 1 1177 1 81 VAL MG1 1 82 ALA H . . 3.870 3.312 3.090 3.610 . 0 0 "[ . 1 . 2]" 1 1178 1 81 VAL MG1 1 82 ALA HA . . 3.870 3.448 3.243 3.677 . 0 0 "[ . 1 . 2]" 1 1179 1 81 VAL MG1 1 85 GLN H . . 4.680 4.029 3.806 4.257 . 0 0 "[ . 1 . 2]" 1 1180 1 81 VAL MG1 1 85 GLN HE21 . . 3.930 2.563 1.944 3.126 . 0 0 "[ . 1 . 2]" 1 1181 1 81 VAL MG1 1 85 GLN QE . . 3.360 2.495 1.930 2.940 . 0 0 "[ . 1 . 2]" 1 1182 1 81 VAL MG1 1 85 GLN HE22 . . 3.930 3.542 2.544 3.915 . 0 0 "[ . 1 . 2]" 1 1183 1 81 VAL MG1 1 85 GLN QG . . 4.220 2.601 2.239 2.997 . 0 0 "[ . 1 . 2]" 1 1184 1 81 VAL MG2 1 82 ALA H . . 3.880 3.738 3.512 3.861 . 0 0 "[ . 1 . 2]" 1 1185 1 81 VAL MG2 1 85 GLN QE . . 5.180 4.810 4.201 5.180 0.000 12 0 "[ . 1 . 2]" 1 1186 1 82 ALA H 1 82 ALA MB . . 3.030 2.119 2.024 2.235 . 0 0 "[ . 1 . 2]" 1 1187 1 82 ALA H 1 83 GLN H . . 3.550 2.795 2.558 2.889 . 0 0 "[ . 1 . 2]" 1 1188 1 82 ALA H 1 84 GLU H . . 4.660 4.078 3.851 4.220 . 0 0 "[ . 1 . 2]" 1 1189 1 82 ALA HA 1 84 GLU H . . 4.640 4.350 4.070 4.537 . 0 0 "[ . 1 . 2]" 1 1190 1 82 ALA HA 1 85 GLN H . . 4.060 3.489 3.277 3.677 . 0 0 "[ . 1 . 2]" 1 1191 1 82 ALA HA 1 85 GLN HB2 . . 4.360 2.713 2.483 2.839 . 0 0 "[ . 1 . 2]" 1 1192 1 82 ALA HA 1 85 GLN QB . . 3.660 2.684 2.462 2.805 . 0 0 "[ . 1 . 2]" 1 1193 1 82 ALA HA 1 85 GLN HB3 . . 4.360 4.287 4.056 4.360 . 19 0 "[ . 1 . 2]" 1 1194 1 82 ALA HA 1 85 GLN QG . . 4.400 3.374 2.581 3.783 . 0 0 "[ . 1 . 2]" 1 1195 1 82 ALA HA 1 86 ILE H . . 4.560 4.357 4.221 4.559 . 0 0 "[ . 1 . 2]" 1 1196 1 82 ALA HA 1 86 ILE MD . . 5.070 4.467 4.181 4.874 . 0 0 "[ . 1 . 2]" 1 1197 1 82 ALA MB 1 83 GLN H . . 3.510 2.422 2.185 2.656 . 0 0 "[ . 1 . 2]" 1 1198 1 82 ALA MB 1 85 GLN H . . 4.810 4.600 4.429 4.798 . 0 0 "[ . 1 . 2]" 1 1199 1 83 GLN H 1 83 GLN HB2 . . 3.560 3.541 3.517 3.567 0.007 3 0 "[ . 1 . 2]" 1 1200 1 83 GLN H 1 83 GLN HB3 . . 3.380 2.275 2.222 2.337 . 0 0 "[ . 1 . 2]" 1 1201 1 83 GLN H 1 83 GLN HG2 . . 3.470 2.670 2.566 2.780 . 0 0 "[ . 1 . 2]" 1 1202 1 83 GLN H 1 83 GLN HG3 . . 3.930 3.685 3.548 3.829 . 0 0 "[ . 1 . 2]" 1 1203 1 83 GLN H 1 84 GLU H . . 3.660 2.739 2.537 2.875 . 0 0 "[ . 1 . 2]" 1 1204 1 83 GLN HA 1 83 GLN HG2 . . 3.970 3.859 3.816 3.890 . 0 0 "[ . 1 . 2]" 1 1205 1 83 GLN HA 1 83 GLN HG3 . . 3.870 3.587 3.560 3.619 . 0 0 "[ . 1 . 2]" 1 1206 1 83 GLN HA 1 86 ILE H . . 4.190 3.650 3.556 3.756 . 0 0 "[ . 1 . 2]" 1 1207 1 83 GLN HA 1 86 ILE HB . . 3.920 3.158 2.963 3.245 . 0 0 "[ . 1 . 2]" 1 1208 1 83 GLN HA 1 86 ILE MD . . 3.640 2.744 2.391 3.254 . 0 0 "[ . 1 . 2]" 1 1209 1 83 GLN HA 1 87 GLU H . . 4.660 4.332 4.180 4.565 . 0 0 "[ . 1 . 2]" 1 1210 1 83 GLN HB2 1 84 GLU HA . . 5.500 4.816 4.733 4.883 . 0 0 "[ . 1 . 2]" 1 1211 1 83 GLN HB3 1 84 GLU H . . 3.940 3.717 3.617 3.863 . 0 0 "[ . 1 . 2]" 1 1212 1 83 GLN QE 1 83 GLN HG3 . . 3.250 2.166 2.102 2.248 . 0 0 "[ . 1 . 2]" 1 1213 1 83 GLN QE 1 87 GLU HG3 . . 4.680 3.717 3.277 3.886 . 0 0 "[ . 1 . 2]" 1 1214 1 83 GLN HE21 1 87 GLU HG3 . . 5.500 3.787 3.322 3.973 . 0 0 "[ . 1 . 2]" 1 1215 1 83 GLN HE22 1 83 GLN HG2 . . 4.080 4.023 3.956 4.065 . 0 0 "[ . 1 . 2]" 1 1216 1 83 GLN HE22 1 83 GLN HG3 . . 3.790 3.465 3.439 3.499 . 0 0 "[ . 1 . 2]" 1 1217 1 83 GLN HE22 1 87 GLU HG3 . . 5.500 5.414 5.000 5.503 0.003 20 0 "[ . 1 . 2]" 1 1218 1 83 GLN HG2 1 84 GLU H . . 3.670 2.377 2.057 2.727 . 0 0 "[ . 1 . 2]" 1 1219 1 83 GLN HG3 1 84 GLU HA . . 4.740 2.977 2.899 3.085 . 0 0 "[ . 1 . 2]" 1 1220 1 83 GLN HG3 1 87 GLU HG3 . . 4.340 3.767 3.340 4.119 . 0 0 "[ . 1 . 2]" 1 1221 1 84 GLU H 1 84 GLU QB . . 2.890 2.234 2.180 2.258 . 0 0 "[ . 1 . 2]" 1 1222 1 84 GLU H 1 84 GLU HG2 . . 4.610 4.342 2.701 4.548 . 0 0 "[ . 1 . 2]" 1 1223 1 84 GLU H 1 84 GLU QG . . 4.010 3.832 2.628 4.009 . 0 0 "[ . 1 . 2]" 1 1224 1 84 GLU H 1 84 GLU HG3 . . 4.610 4.313 2.881 4.607 . 0 0 "[ . 1 . 2]" 1 1225 1 84 GLU H 1 85 GLN H . . 3.390 2.631 2.513 2.767 . 0 0 "[ . 1 . 2]" 1 1226 1 84 GLU H 1 86 ILE H . . 4.860 4.141 3.898 4.429 . 0 0 "[ . 1 . 2]" 1 1227 1 84 GLU H 1 87 GLU HG3 . . 5.050 4.888 4.707 5.039 . 0 0 "[ . 1 . 2]" 1 1228 1 84 GLU HA 1 84 GLU HG2 . . 3.880 2.943 2.313 3.870 . 0 0 "[ . 1 . 2]" 1 1229 1 84 GLU HA 1 84 GLU HG3 . . 3.880 2.796 2.387 3.695 . 0 0 "[ . 1 . 2]" 1 1230 1 84 GLU HA 1 87 GLU H . . 4.140 3.341 3.145 3.618 . 0 0 "[ . 1 . 2]" 1 1231 1 84 GLU HA 1 87 GLU HB2 . . 3.360 2.495 2.244 2.716 . 0 0 "[ . 1 . 2]" 1 1232 1 84 GLU HA 1 87 GLU HB3 . . 4.310 4.067 3.764 4.301 . 0 0 "[ . 1 . 2]" 1 1233 1 84 GLU HA 1 87 GLU HG2 . . 5.030 4.433 3.514 4.949 . 0 0 "[ . 1 . 2]" 1 1234 1 84 GLU HA 1 87 GLU HG3 . . 4.360 3.055 2.700 3.481 . 0 0 "[ . 1 . 2]" 1 1235 1 84 GLU QB 1 85 GLN H . . 3.060 2.526 2.352 2.778 . 0 0 "[ . 1 . 2]" 1 1236 1 85 GLN H 1 85 GLN HB2 . . 4.080 2.320 2.188 2.560 . 0 0 "[ . 1 . 2]" 1 1237 1 85 GLN H 1 85 GLN QB . . 3.470 2.290 2.167 2.508 . 0 0 "[ . 1 . 2]" 1 1238 1 85 GLN H 1 85 GLN HB3 . . 4.080 3.550 3.495 3.591 . 0 0 "[ . 1 . 2]" 1 1239 1 85 GLN H 1 85 GLN HG2 . . 3.690 3.357 2.077 3.690 . 0 0 "[ . 1 . 2]" 1 1240 1 85 GLN H 1 85 GLN HG3 . . 3.690 2.788 2.412 3.423 . 0 0 "[ . 1 . 2]" 1 1241 1 85 GLN H 1 86 ILE H . . 3.500 2.738 2.639 2.863 . 0 0 "[ . 1 . 2]" 1 1242 1 85 GLN H 1 86 ILE HB . . 5.100 5.011 4.858 5.092 . 0 0 "[ . 1 . 2]" 1 1243 1 85 GLN H 1 87 GLU H . . 4.530 4.141 3.894 4.453 . 0 0 "[ . 1 . 2]" 1 1244 1 85 GLN HA 1 85 GLN HG2 . . 3.910 2.356 2.177 2.791 . 0 0 "[ . 1 . 2]" 1 1245 1 85 GLN HA 1 85 GLN QG . . 3.280 2.291 2.137 2.725 . 0 0 "[ . 1 . 2]" 1 1246 1 85 GLN HA 1 85 GLN HG3 . . 3.910 3.169 2.862 3.806 . 0 0 "[ . 1 . 2]" 1 1247 1 85 GLN HA 1 88 GLY H . . 3.850 3.721 3.596 3.838 . 0 0 "[ . 1 . 2]" 1 1248 1 85 GLN HA 1 89 MET H . . 4.860 4.727 4.495 4.853 . 0 0 "[ . 1 . 2]" 1 1249 1 85 GLN QB 1 85 GLN QE . . 3.880 3.340 2.195 3.605 . 0 0 "[ . 1 . 2]" 1 1250 1 85 GLN QB 1 86 ILE H . . 3.340 2.648 2.334 2.898 . 0 0 "[ . 1 . 2]" 1 1251 1 85 GLN QB 1 86 ILE HA . . 4.210 3.877 3.786 3.958 . 0 0 "[ . 1 . 2]" 1 1252 1 85 GLN HB2 1 85 GLN HE22 . . 5.500 4.630 3.669 5.318 . 0 0 "[ . 1 . 2]" 1 1253 1 85 GLN HB2 1 86 ILE H . . 3.890 2.754 2.378 3.038 . 0 0 "[ . 1 . 2]" 1 1254 1 85 GLN HB3 1 85 GLN HE22 . . 5.500 4.430 3.985 4.721 . 0 0 "[ . 1 . 2]" 1 1255 1 85 GLN HB3 1 86 ILE H . . 3.890 3.460 3.124 3.827 . 0 0 "[ . 1 . 2]" 1 1256 1 85 GLN QG 1 86 ILE H . . 4.480 4.247 3.963 4.393 . 0 0 "[ . 1 . 2]" 1 1257 1 85 GLN HG2 1 86 ILE H . . 5.240 4.890 4.319 5.115 . 0 0 "[ . 1 . 2]" 1 1258 1 85 GLN HG3 1 86 ILE H . . 5.240 4.685 4.516 4.859 . 0 0 "[ . 1 . 2]" 1 1259 1 86 ILE H 1 86 ILE HB . . 3.330 2.531 2.476 2.592 . 0 0 "[ . 1 . 2]" 1 1260 1 86 ILE H 1 86 ILE MD . . 3.790 3.494 3.351 3.755 . 0 0 "[ . 1 . 2]" 1 1261 1 86 ILE H 1 86 ILE HG12 . . 3.560 3.491 3.355 3.562 0.002 12 0 "[ . 1 . 2]" 1 1262 1 86 ILE H 1 86 ILE HG13 . . 3.900 2.148 2.029 2.343 . 0 0 "[ . 1 . 2]" 1 1263 1 86 ILE H 1 86 ILE MG . . 3.830 3.769 3.756 3.785 . 0 0 "[ . 1 . 2]" 1 1264 1 86 ILE H 1 87 GLU H . . 3.620 2.549 2.355 2.744 . 0 0 "[ . 1 . 2]" 1 1265 1 86 ILE HA 1 86 ILE MD . . 4.080 3.860 3.757 3.916 . 0 0 "[ . 1 . 2]" 1 1266 1 86 ILE HA 1 86 ILE HG12 . . 3.910 2.610 2.434 2.743 . 0 0 "[ . 1 . 2]" 1 1267 1 86 ILE HA 1 86 ILE HG13 . . 3.860 2.947 2.845 3.120 . 0 0 "[ . 1 . 2]" 1 1268 1 86 ILE HA 1 86 ILE MG . . 3.560 2.356 2.265 2.471 . 0 0 "[ . 1 . 2]" 1 1269 1 86 ILE HA 1 89 MET H . . 3.740 3.437 3.329 3.591 . 0 0 "[ . 1 . 2]" 1 1270 1 86 ILE HA 1 89 MET HB2 . . 5.010 4.846 4.651 5.010 0.000 12 0 "[ . 1 . 2]" 1 1271 1 86 ILE HA 1 89 MET HB3 . . 4.200 4.097 3.691 4.198 . 0 0 "[ . 1 . 2]" 1 1272 1 86 ILE HA 1 89 MET ME . . 3.600 2.574 1.936 3.318 . 0 0 "[ . 1 . 2]" 1 1273 1 86 ILE HA 1 89 MET HG2 . . 4.640 2.070 2.000 2.406 . 0 0 "[ . 1 . 2]" 1 1274 1 86 ILE HA 1 89 MET QG . . 4.080 2.005 1.906 2.129 . 0 0 "[ . 1 . 2]" 1 1275 1 86 ILE HA 1 89 MET HG3 . . 4.640 3.155 2.005 3.741 . 0 0 "[ . 1 . 2]" 1 1276 1 86 ILE HB 1 86 ILE MD . . 3.570 2.351 2.214 2.477 . 0 0 "[ . 1 . 2]" 1 1277 1 86 ILE HB 1 87 GLU H . . 3.750 2.696 2.394 2.895 . 0 0 "[ . 1 . 2]" 1 1278 1 86 ILE HB 1 87 GLU HG2 . . 4.690 4.382 3.553 4.689 . 0 0 "[ . 1 . 2]" 1 1279 1 86 ILE MD 1 87 GLU H . . 5.160 4.556 4.312 4.798 . 0 0 "[ . 1 . 2]" 1 1280 1 86 ILE MD 1 89 MET ME . . 4.280 3.817 3.109 4.271 . 0 0 "[ . 1 . 2]" 1 1281 1 86 ILE HG12 1 86 ILE MG . . 3.500 2.308 2.130 2.428 . 0 0 "[ . 1 . 2]" 1 1282 1 86 ILE HG12 1 87 GLU H . . 5.290 5.027 4.947 5.128 . 0 0 "[ . 1 . 2]" 1 1283 1 86 ILE HG13 1 86 ILE MG . . 3.550 3.188 3.166 3.202 . 0 0 "[ . 1 . 2]" 1 1284 1 86 ILE MG 1 87 GLU H . . 4.170 3.547 3.263 3.752 . 0 0 "[ . 1 . 2]" 1 1285 1 86 ILE MG 1 87 GLU HA . . 4.530 3.574 3.323 3.810 . 0 0 "[ . 1 . 2]" 1 1286 1 86 ILE MG 1 89 MET H . . 4.960 4.511 4.353 4.694 . 0 0 "[ . 1 . 2]" 1 1287 1 86 ILE MG 1 90 VAL H . . 4.370 3.747 3.457 4.041 . 0 0 "[ . 1 . 2]" 1 1288 1 86 ILE MG 1 90 VAL HB . . 4.630 3.829 3.434 4.300 . 0 0 "[ . 1 . 2]" 1 1289 1 87 GLU H 1 87 GLU HB2 . . 3.260 2.303 2.225 2.412 . 0 0 "[ . 1 . 2]" 1 1290 1 87 GLU H 1 87 GLU HB3 . . 3.600 3.550 3.519 3.580 . 0 0 "[ . 1 . 2]" 1 1291 1 87 GLU H 1 87 GLU HG2 . . 4.170 3.226 2.406 3.581 . 0 0 "[ . 1 . 2]" 1 1292 1 87 GLU H 1 87 GLU HG3 . . 3.660 2.934 2.506 3.657 . 0 0 "[ . 1 . 2]" 1 1293 1 87 GLU H 1 88 GLY H . . 3.660 2.675 2.523 2.845 . 0 0 "[ . 1 . 2]" 1 1294 1 87 GLU H 1 89 MET H . . 4.790 4.520 4.315 4.659 . 0 0 "[ . 1 . 2]" 1 1295 1 87 GLU HA 1 87 GLU HG2 . . 3.390 2.314 2.187 2.658 . 0 0 "[ . 1 . 2]" 1 1296 1 87 GLU HA 1 87 GLU HG3 . . 4.060 3.314 3.142 3.725 . 0 0 "[ . 1 . 2]" 1 1297 1 87 GLU HA 1 90 VAL H . . 3.900 3.679 3.239 3.901 0.001 8 0 "[ . 1 . 2]" 1 1298 1 87 GLU HA 1 90 VAL HB . . 3.540 2.664 2.252 2.938 . 0 0 "[ . 1 . 2]" 1 1299 1 87 GLU HA 1 90 VAL MG2 . . 3.780 3.016 2.367 3.538 . 0 0 "[ . 1 . 2]" 1 1300 1 87 GLU HA 1 91 LYS H . . 4.450 4.019 3.657 4.363 . 0 0 "[ . 1 . 2]" 1 1301 1 87 GLU HB2 1 88 GLY H . . 3.610 2.975 2.619 3.215 . 0 0 "[ . 1 . 2]" 1 1302 1 87 GLU HB3 1 88 GLY H . . 3.880 3.663 3.479 3.857 . 0 0 "[ . 1 . 2]" 1 1303 1 88 GLY H 1 89 MET H . . 3.490 2.643 2.456 2.816 . 0 0 "[ . 1 . 2]" 1 1304 1 89 MET H 1 89 MET HB2 . . 3.690 3.590 3.556 3.618 . 0 0 "[ . 1 . 2]" 1 1305 1 89 MET H 1 89 MET HB3 . . 3.410 2.571 2.314 2.703 . 0 0 "[ . 1 . 2]" 1 1306 1 89 MET H 1 89 MET HG2 . . 3.900 2.270 1.919 3.157 . 0 0 "[ . 1 . 2]" 1 1307 1 89 MET H 1 89 MET QG . . 3.280 2.105 1.882 2.521 . 0 0 "[ . 1 . 2]" 1 1308 1 89 MET H 1 89 MET HG3 . . 3.900 3.079 1.896 3.602 . 0 0 "[ . 1 . 2]" 1 1309 1 89 MET H 1 90 VAL H . . 3.410 2.592 2.386 2.724 . 0 0 "[ . 1 . 2]" 1 1310 1 89 MET H 1 90 VAL MG2 . . 4.370 4.224 3.839 4.368 . 0 0 "[ . 1 . 2]" 1 1311 1 89 MET HA 1 89 MET HG2 . . 4.130 3.820 3.626 4.190 0.060 9 0 "[ . 1 . 2]" 1 1312 1 89 MET HA 1 89 MET QG . . 3.490 3.338 3.307 3.397 . 0 0 "[ . 1 . 2]" 1 1313 1 89 MET HA 1 89 MET HG3 . . 4.130 3.712 3.575 3.885 . 0 0 "[ . 1 . 2]" 1 1314 1 89 MET HA 1 91 LYS H . . 5.020 4.748 4.148 5.014 . 0 0 "[ . 1 . 2]" 1 1315 1 89 MET HA 1 92 ASP H . . 4.170 3.686 3.426 3.994 . 0 0 "[ . 1 . 2]" 1 1316 1 89 MET HA 1 92 ASP HB2 . . 3.980 3.528 3.203 3.935 . 0 0 "[ . 1 . 2]" 1 1317 1 89 MET HA 1 92 ASP HB3 . . 3.980 2.845 2.454 3.157 . 0 0 "[ . 1 . 2]" 1 1318 1 89 MET HA 1 93 LEU H . . 4.730 3.920 3.645 4.461 . 0 0 "[ . 1 . 2]" 1 1319 1 89 MET HB2 1 90 VAL H . . 4.360 3.893 3.567 4.155 . 0 0 "[ . 1 . 2]" 1 1320 1 89 MET HB2 1 93 LEU MD1 . . 4.560 2.928 2.428 3.744 . 0 0 "[ . 1 . 2]" 1 1321 1 89 MET HB3 1 89 MET ME . . 3.750 3.165 2.063 3.750 . 13 0 "[ . 1 . 2]" 1 1322 1 89 MET HB3 1 90 VAL H . . 4.130 4.029 3.815 4.141 0.011 14 0 "[ . 1 . 2]" 1 1323 1 89 MET ME 1 89 MET HG2 . . 3.620 2.494 2.006 3.217 . 0 0 "[ . 1 . 2]" 1 1324 1 89 MET ME 1 89 MET QG . . 3.110 2.139 1.977 2.360 . 0 0 "[ . 1 . 2]" 1 1325 1 89 MET ME 1 89 MET HG3 . . 3.620 2.878 1.999 3.372 . 0 0 "[ . 1 . 2]" 1 1326 1 89 MET QG 1 90 VAL H . . 4.330 2.268 1.966 2.535 . 0 0 "[ . 1 . 2]" 1 1327 1 89 MET QG 1 91 LYS H . . 5.340 4.665 4.346 5.063 . 0 0 "[ . 1 . 2]" 1 1328 1 89 MET QG 1 93 LEU MD1 . . 4.130 3.284 3.004 4.060 . 0 0 "[ . 1 . 2]" 1 1329 1 89 MET HG2 1 90 VAL H . . 4.960 2.926 2.332 4.069 . 0 0 "[ . 1 . 2]" 1 1330 1 89 MET HG2 1 93 LEU MD1 . . 4.860 4.589 4.394 4.834 . 0 0 "[ . 1 . 2]" 1 1331 1 89 MET HG3 1 90 VAL H . . 4.960 2.461 2.022 3.142 . 0 0 "[ . 1 . 2]" 1 1332 1 89 MET HG3 1 93 LEU MD1 . . 4.860 3.393 3.050 4.585 . 0 0 "[ . 1 . 2]" 1 1333 1 90 VAL H 1 90 VAL HB . . 3.280 2.399 2.327 2.515 . 0 0 "[ . 1 . 2]" 1 1334 1 90 VAL H 1 90 VAL MG1 . . 3.840 3.734 3.704 3.765 . 0 0 "[ . 1 . 2]" 1 1335 1 90 VAL H 1 90 VAL MG2 . . 3.140 2.434 2.182 2.654 . 0 0 "[ . 1 . 2]" 1 1336 1 90 VAL H 1 91 LYS H . . 3.430 2.726 2.545 2.950 . 0 0 "[ . 1 . 2]" 1 1337 1 90 VAL H 1 92 ASP H . . 4.490 4.053 3.685 4.486 . 0 0 "[ . 1 . 2]" 1 1338 1 90 VAL HA 1 90 VAL MG1 . . 3.460 2.448 2.333 2.492 . 0 0 "[ . 1 . 2]" 1 1339 1 90 VAL HA 1 90 VAL MG2 . . 3.310 2.278 2.117 2.397 . 0 0 "[ . 1 . 2]" 1 1340 1 90 VAL HA 1 93 LEU H . . 4.240 3.650 3.322 3.842 . 0 0 "[ . 1 . 2]" 1 1341 1 90 VAL HA 1 93 LEU HB2 . . 4.590 2.807 2.389 3.000 . 0 0 "[ . 1 . 2]" 1 1342 1 90 VAL HA 1 93 LEU QB . . 3.850 2.775 2.370 2.961 . 0 0 "[ . 1 . 2]" 1 1343 1 90 VAL HA 1 93 LEU HB3 . . 4.590 4.359 3.942 4.557 . 0 0 "[ . 1 . 2]" 1 1344 1 90 VAL HA 1 93 LEU MD1 . . 4.060 2.561 2.176 3.196 . 0 0 "[ . 1 . 2]" 1 1345 1 90 VAL HB 1 91 LYS H . . 3.670 2.418 2.211 2.858 . 0 0 "[ . 1 . 2]" 1 1346 1 90 VAL MG1 1 91 LYS H . . 3.850 3.035 2.700 3.373 . 0 0 "[ . 1 . 2]" 1 1347 1 90 VAL MG1 1 91 LYS HA . . 3.910 3.246 3.062 3.506 . 0 0 "[ . 1 . 2]" 1 1348 1 90 VAL MG1 1 93 LEU H . . 4.830 4.696 4.341 4.830 . 0 0 "[ . 1 . 2]" 1 1349 1 90 VAL MG2 1 91 LYS H . . 4.090 3.859 3.721 4.062 . 0 0 "[ . 1 . 2]" 1 1350 1 91 LYS H 1 91 LYS QB . . 2.930 2.228 2.113 2.592 . 0 0 "[ . 1 . 2]" 1 1351 1 91 LYS H 1 91 LYS HG2 . . 4.710 4.229 1.898 4.623 . 0 0 "[ . 1 . 2]" 1 1352 1 91 LYS H 1 91 LYS QG . . 3.940 3.665 1.889 4.002 0.062 19 0 "[ . 1 . 2]" 1 1353 1 91 LYS H 1 91 LYS HG3 . . 4.710 4.153 2.891 4.488 . 0 0 "[ . 1 . 2]" 1 1354 1 91 LYS H 1 92 ASP H . . 3.480 2.720 2.500 2.957 . 0 0 "[ . 1 . 2]" 1 1355 1 91 LYS H 1 92 ASP QB . . 5.340 4.453 4.271 4.694 . 0 0 "[ . 1 . 2]" 1 1356 1 91 LYS HA 1 91 LYS QD . . 4.170 3.613 2.478 4.184 0.014 20 0 "[ . 1 . 2]" 1 1357 1 91 LYS HA 1 91 LYS HG2 . . 4.200 3.267 2.388 3.881 . 0 0 "[ . 1 . 2]" 1 1358 1 91 LYS HA 1 91 LYS QG . . 3.660 2.572 2.245 3.338 . 0 0 "[ . 1 . 2]" 1 1359 1 91 LYS HA 1 91 LYS HG3 . . 4.200 2.776 2.310 3.974 . 0 0 "[ . 1 . 2]" 1 1360 1 91 LYS HA 1 93 LEU H . . 4.600 4.437 4.153 4.568 . 0 0 "[ . 1 . 2]" 1 1361 1 91 LYS HA 1 94 ILE H . . 3.810 3.582 3.382 3.810 0.000 8 0 "[ . 1 . 2]" 1 1362 1 91 LYS HA 1 94 ILE HB . . 3.980 3.036 2.731 3.387 . 0 0 "[ . 1 . 2]" 1 1363 1 91 LYS HA 1 94 ILE MD . . 3.770 2.814 2.271 3.287 . 0 0 "[ . 1 . 2]" 1 1364 1 91 LYS HA 1 94 ILE QG . . 4.530 3.908 3.503 4.427 . 0 0 "[ . 1 . 2]" 1 1365 1 91 LYS HA 1 95 ASN H . . 4.100 3.992 3.808 4.104 0.004 17 0 "[ . 1 . 2]" 1 1366 1 91 LYS QB 1 91 LYS QD . . 3.390 2.144 2.045 2.410 . 0 0 "[ . 1 . 2]" 1 1367 1 91 LYS QB 1 91 LYS QE . . 4.510 3.018 2.029 3.720 . 0 0 "[ . 1 . 2]" 1 1368 1 91 LYS QB 1 92 ASP H . . 3.280 2.617 2.271 3.236 . 0 0 "[ . 1 . 2]" 1 1369 1 91 LYS QB 1 92 ASP HA . . 4.580 4.039 3.714 4.302 . 0 0 "[ . 1 . 2]" 1 1370 1 91 LYS QB 1 92 ASP QB . . 4.690 3.953 3.674 4.549 . 0 0 "[ . 1 . 2]" 1 1371 1 91 LYS QG 1 92 ASP H . . 4.690 3.628 1.901 4.212 . 0 0 "[ . 1 . 2]" 1 1372 1 91 LYS QG 1 95 ASN QD . . 3.900 2.457 1.857 3.663 . 0 0 "[ . 1 . 2]" 1 1373 1 92 ASP H 1 92 ASP HB2 . . 3.250 2.393 2.225 2.671 . 0 0 "[ . 1 . 2]" 1 1374 1 92 ASP H 1 92 ASP HB3 . . 3.250 2.697 2.403 2.884 . 0 0 "[ . 1 . 2]" 1 1375 1 92 ASP H 1 93 LEU H . . 3.470 2.689 2.439 2.927 . 0 0 "[ . 1 . 2]" 1 1376 1 92 ASP HA 1 95 ASN H . . 4.240 3.483 3.287 3.736 . 0 0 "[ . 1 . 2]" 1 1377 1 92 ASP HA 1 95 ASN QB . . 3.780 2.465 2.180 2.909 . 0 0 "[ . 1 . 2]" 1 1378 1 92 ASP HA 1 95 ASN QD . . 4.390 2.993 2.113 3.818 . 0 0 "[ . 1 . 2]" 1 1379 1 92 ASP HA 1 96 ARG H . . 5.380 4.042 3.550 4.394 . 0 0 "[ . 1 . 2]" 1 1380 1 92 ASP QB 1 93 LEU H . . 3.410 2.552 2.389 2.779 . 0 0 "[ . 1 . 2]" 1 1381 1 92 ASP QB 1 93 LEU QB . . 5.180 4.328 4.158 4.454 . 0 0 "[ . 1 . 2]" 1 1382 1 92 ASP HB2 1 93 LEU H . . 3.950 3.758 3.546 3.944 . 0 0 "[ . 1 . 2]" 1 1383 1 92 ASP HB3 1 93 LEU H . . 3.950 2.598 2.422 2.844 . 0 0 "[ . 1 . 2]" 1 1384 1 93 LEU H 1 93 LEU HB2 . . 3.620 2.278 2.181 2.414 . 0 0 "[ . 1 . 2]" 1 1385 1 93 LEU H 1 93 LEU QB . . 3.070 2.252 2.160 2.378 . 0 0 "[ . 1 . 2]" 1 1386 1 93 LEU H 1 93 LEU HB3 . . 3.620 3.537 3.494 3.576 . 0 0 "[ . 1 . 2]" 1 1387 1 93 LEU H 1 93 LEU MD1 . . 3.930 3.519 3.326 3.777 . 0 0 "[ . 1 . 2]" 1 1388 1 93 LEU H 1 93 LEU MD2 . . 3.980 3.856 3.585 3.979 . 0 0 "[ . 1 . 2]" 1 1389 1 93 LEU H 1 93 LEU HG . . 3.370 2.689 2.367 2.915 . 0 0 "[ . 1 . 2]" 1 1390 1 93 LEU H 1 94 ILE H . . 3.440 2.722 2.558 2.889 . 0 0 "[ . 1 . 2]" 1 1391 1 93 LEU HA 1 93 LEU MD1 . . 4.710 3.848 3.810 3.890 . 0 0 "[ . 1 . 2]" 1 1392 1 93 LEU HA 1 93 LEU MD2 . . 3.220 2.200 1.967 2.370 . 0 0 "[ . 1 . 2]" 1 1393 1 93 LEU HA 1 93 LEU HG . . 3.900 2.745 2.613 2.906 . 0 0 "[ . 1 . 2]" 1 1394 1 93 LEU HA 1 96 ARG H . . 4.290 3.791 3.369 4.147 . 0 0 "[ . 1 . 2]" 1 1395 1 93 LEU HA 1 96 ARG HB2 . . 4.990 3.893 2.761 4.985 . 0 0 "[ . 1 . 2]" 1 1396 1 93 LEU HA 1 96 ARG QB . . 4.160 3.496 2.729 4.141 . 0 0 "[ . 1 . 2]" 1 1397 1 93 LEU HA 1 96 ARG HB3 . . 4.990 4.538 4.024 4.984 . 0 0 "[ . 1 . 2]" 1 1398 1 93 LEU HA 1 96 ARG QG . . 4.600 2.994 2.064 4.457 . 0 0 "[ . 1 . 2]" 1 1399 1 93 LEU QB 1 94 ILE H . . 3.150 2.573 2.382 2.813 . 0 0 "[ . 1 . 2]" 1 1400 1 93 LEU HB2 1 93 LEU MD2 . . 3.530 3.169 3.146 3.187 . 0 0 "[ . 1 . 2]" 1 1401 1 93 LEU HB3 1 93 LEU MD2 . . 3.530 2.243 2.124 2.364 . 0 0 "[ . 1 . 2]" 1 1402 1 94 ILE H 1 94 ILE HB . . 3.190 2.494 2.412 2.594 . 0 0 "[ . 1 . 2]" 1 1403 1 94 ILE H 1 94 ILE MD . . 3.900 3.409 3.198 3.595 . 0 0 "[ . 1 . 2]" 1 1404 1 94 ILE H 1 94 ILE HG12 . . 3.760 3.639 3.378 3.758 . 0 0 "[ . 1 . 2]" 1 1405 1 94 ILE H 1 94 ILE QG . . 3.280 2.220 1.957 2.418 . 0 0 "[ . 1 . 2]" 1 1406 1 94 ILE H 1 94 ILE HG13 . . 3.760 2.241 1.969 2.448 . 0 0 "[ . 1 . 2]" 1 1407 1 94 ILE H 1 94 ILE MG . . 3.820 3.762 3.745 3.778 . 0 0 "[ . 1 . 2]" 1 1408 1 94 ILE H 1 95 ASN H . . 3.310 2.576 2.371 2.757 . 0 0 "[ . 1 . 2]" 1 1409 1 94 ILE H 1 95 ASN QB . . 4.840 4.441 4.198 4.642 . 0 0 "[ . 1 . 2]" 1 1410 1 94 ILE HA 1 94 ILE MD . . 4.050 3.864 3.829 3.894 . 0 0 "[ . 1 . 2]" 1 1411 1 94 ILE HA 1 94 ILE HG12 . . 3.680 2.661 2.552 2.797 . 0 0 "[ . 1 . 2]" 1 1412 1 94 ILE HA 1 94 ILE HG13 . . 3.680 2.818 2.617 2.964 . 0 0 "[ . 1 . 2]" 1 1413 1 94 ILE HA 1 94 ILE MG . . 3.390 2.389 2.270 2.473 . 0 0 "[ . 1 . 2]" 1 1414 1 94 ILE HB 1 94 ILE MD . . 3.330 2.269 2.110 2.369 . 0 0 "[ . 1 . 2]" 1 1415 1 94 ILE HB 1 95 ASN H . . 3.480 2.596 2.426 2.841 . 0 0 "[ . 1 . 2]" 1 1416 1 94 ILE MD 1 94 ILE MG . . 2.840 2.185 1.946 2.434 . 0 0 "[ . 1 . 2]" 1 1417 1 94 ILE MD 1 95 ASN H . . 4.650 4.414 4.209 4.598 . 0 0 "[ . 1 . 2]" 1 1418 1 94 ILE QG 1 94 ILE MG . . 3.210 2.204 2.071 2.317 . 0 0 "[ . 1 . 2]" 1 1419 1 94 ILE QG 1 95 ASN H . . 4.440 4.052 3.953 4.154 . 0 0 "[ . 1 . 2]" 1 1420 1 94 ILE HG12 1 94 ILE MG . . 3.680 2.248 2.100 2.378 . 0 0 "[ . 1 . 2]" 1 1421 1 94 ILE HG13 1 94 ILE MG . . 3.680 3.177 3.144 3.196 . 0 0 "[ . 1 . 2]" 1 1422 1 94 ILE MG 1 95 ASN H . . 3.840 3.406 3.181 3.672 . 0 0 "[ . 1 . 2]" 1 1423 1 94 ILE MG 1 95 ASN HA . . 4.580 3.450 3.235 3.690 . 0 0 "[ . 1 . 2]" 1 1424 1 95 ASN H 1 95 ASN QB . . 2.990 2.324 2.164 2.693 . 0 0 "[ . 1 . 2]" 1 1425 1 95 ASN H 1 95 ASN HD21 . . 4.780 3.782 1.938 4.487 . 0 0 "[ . 1 . 2]" 1 1426 1 95 ASN H 1 95 ASN QD . . 4.100 3.517 1.930 4.087 . 0 0 "[ . 1 . 2]" 1 1427 1 95 ASN H 1 95 ASN HD22 . . 4.780 4.352 3.626 4.767 . 0 0 "[ . 1 . 2]" 1 1428 1 95 ASN H 1 96 ARG H . . 3.460 2.729 2.459 2.859 . 0 0 "[ . 1 . 2]" 1 1429 1 95 ASN H 1 96 ARG QG . . 5.340 4.434 3.830 5.138 . 0 0 "[ . 1 . 2]" 1 1430 1 95 ASN QB 1 95 ASN QD . . 3.040 2.198 2.073 2.399 . 0 0 "[ . 1 . 2]" 1 1431 1 95 ASN QB 1 95 ASN HD22 . . 3.550 3.233 3.213 3.373 . 0 0 "[ . 1 . 2]" 1 1432 1 95 ASN QB 1 96 ARG H . . 3.700 2.665 2.536 2.988 . 0 0 "[ . 1 . 2]" 1 1433 1 95 ASN QB 1 96 ARG HA . . 4.160 3.892 3.790 4.084 . 0 0 "[ . 1 . 2]" 1 1434 1 96 ARG H 1 96 ARG HB2 . . 3.820 2.855 2.200 3.675 . 0 0 "[ . 1 . 2]" 1 1435 1 96 ARG H 1 96 ARG QB . . 3.180 2.424 2.178 2.726 . 0 0 "[ . 1 . 2]" 1 1436 1 96 ARG H 1 96 ARG HB3 . . 3.820 3.204 2.463 3.658 . 0 0 "[ . 1 . 2]" 1 1437 1 96 ARG H 1 96 ARG HG2 . . 3.750 2.849 1.999 3.746 . 0 0 "[ . 1 . 2]" 1 1438 1 96 ARG H 1 96 ARG HG3 . . 3.750 3.009 1.892 3.747 . 0 0 "[ . 1 . 2]" 1 1439 1 96 ARG H 1 97 SER H . . 3.740 2.845 2.234 3.678 . 0 0 "[ . 1 . 2]" 1 1440 1 96 ARG HA 1 96 ARG HG2 . . 4.060 3.046 2.196 4.207 0.147 17 0 "[ . 1 . 2]" 1 1441 1 96 ARG HA 1 96 ARG QG . . 3.430 2.786 2.154 3.416 . 0 0 "[ . 1 . 2]" 1 1442 1 96 ARG HA 1 96 ARG HG3 . . 4.060 3.501 2.793 3.811 . 0 0 "[ . 1 . 2]" 1 1443 1 96 ARG QB 1 96 ARG QD . . 3.280 2.258 2.049 2.548 . 0 0 "[ . 1 . 2]" 1 1444 1 96 ARG QB 1 97 SER H . . 4.420 3.082 2.271 4.046 . 0 0 "[ . 1 . 2]" 1 1445 1 96 ARG HB2 1 97 SER H . . 5.070 3.343 2.321 4.500 . 0 0 "[ . 1 . 2]" 1 1446 1 96 ARG HB3 1 97 SER H . . 5.070 3.715 2.962 4.639 . 0 0 "[ . 1 . 2]" 1 1447 1 97 SER H 1 97 SER QB . . 3.880 2.347 2.174 2.790 . 0 0 "[ . 1 . 2]" 1 1448 1 97 SER QB 1 98 GLY H . . 4.290 3.245 2.003 4.030 . 0 0 "[ . 1 . 2]" 1 1449 1 98 GLY QA 1 99 PRO QB . . 5.080 4.334 4.271 4.551 . 0 0 "[ . 1 . 2]" 1 1450 1 98 GLY QA 1 99 PRO HD2 . . 3.300 2.098 1.945 2.240 . 0 0 "[ . 1 . 2]" 1 1451 1 98 GLY QA 1 99 PRO HD3 . . 3.300 2.441 2.236 2.879 . 0 0 "[ . 1 . 2]" 1 1452 1 98 GLY QA 1 99 PRO QG . . 5.110 3.702 3.650 3.818 . 0 0 "[ . 1 . 2]" 1 stop_ save_
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