NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
457870 | 2khe | 11042 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2khe 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 1516 _Distance_constraint_stats_list.Viol_count 473 _Distance_constraint_stats_list.Viol_total 114.386 _Distance_constraint_stats_list.Viol_max 0.140 _Distance_constraint_stats_list.Viol_rms 0.0030 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0002 _Distance_constraint_stats_list.Viol_average_violations_only 0.0121 _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 2 GLY 0.000 0.000 . 0 "[ . 1 . 2]" 1 3 TYR 0.008 0.004 12 0 "[ . 1 . 2]" 1 4 ARG 0.003 0.003 4 0 "[ . 1 . 2]" 1 5 ILE 0.034 0.007 8 0 "[ . 1 . 2]" 1 6 GLU 0.030 0.010 19 0 "[ . 1 . 2]" 1 7 PHE 0.236 0.024 4 0 "[ . 1 . 2]" 1 8 ASP 0.462 0.085 4 0 "[ . 1 . 2]" 1 9 PRO 0.007 0.007 4 0 "[ . 1 . 2]" 1 10 ARG 0.000 0.000 . 0 "[ . 1 . 2]" 1 11 ALA 0.157 0.024 4 0 "[ . 1 . 2]" 1 12 GLU 0.247 0.050 7 0 "[ . 1 . 2]" 1 13 LYS 0.061 0.032 10 0 "[ . 1 . 2]" 1 14 GLU 0.078 0.026 19 0 "[ . 1 . 2]" 1 15 LEU 0.519 0.101 20 0 "[ . 1 . 2]" 1 16 GLU 0.007 0.005 3 0 "[ . 1 . 2]" 1 17 LYS 0.181 0.087 9 0 "[ . 1 . 2]" 1 18 LEU 0.025 0.012 9 0 "[ . 1 . 2]" 1 19 ASP 0.015 0.012 9 0 "[ . 1 . 2]" 1 20 ARG 0.147 0.052 20 0 "[ . 1 . 2]" 1 21 GLU 0.084 0.032 5 0 "[ . 1 . 2]" 1 22 VAL 0.029 0.010 14 0 "[ . 1 . 2]" 1 23 ALA 0.023 0.008 20 0 "[ . 1 . 2]" 1 24 ARG 0.341 0.063 20 0 "[ . 1 . 2]" 1 25 ARG 0.128 0.051 20 0 "[ . 1 . 2]" 1 26 ILE 0.013 0.005 19 0 "[ . 1 . 2]" 1 27 LEU 0.033 0.008 8 0 "[ . 1 . 2]" 1 28 ARG 0.003 0.003 12 0 "[ . 1 . 2]" 1 29 PHE 0.268 0.053 16 0 "[ . 1 . 2]" 1 30 LEU 0.098 0.017 16 0 "[ . 1 . 2]" 1 31 ARG 0.378 0.094 14 0 "[ . 1 . 2]" 1 32 GLU 0.767 0.094 14 0 "[ . 1 . 2]" 1 33 ARG 0.140 0.026 19 0 "[ . 1 . 2]" 1 34 VAL 0.169 0.026 19 0 "[ . 1 . 2]" 1 35 ALA 0.065 0.012 20 0 "[ . 1 . 2]" 1 36 THR 0.165 0.029 16 0 "[ . 1 . 2]" 1 37 LEU 0.077 0.029 5 0 "[ . 1 . 2]" 1 38 GLU 0.039 0.038 17 0 "[ . 1 . 2]" 1 39 ASP 0.070 0.016 6 0 "[ . 1 . 2]" 1 40 PRO 0.035 0.008 11 0 "[ . 1 . 2]" 1 41 ARG 0.003 0.003 6 0 "[ . 1 . 2]" 1 42 SER 0.066 0.027 11 0 "[ . 1 . 2]" 1 43 LEU 0.040 0.009 14 0 "[ . 1 . 2]" 1 44 GLY 0.018 0.007 10 0 "[ . 1 . 2]" 1 45 GLU 0.032 0.014 18 0 "[ . 1 . 2]" 1 46 PRO 0.007 0.006 18 0 "[ . 1 . 2]" 1 47 LEU 0.019 0.010 5 0 "[ . 1 . 2]" 1 48 ARG 0.099 0.078 12 0 "[ . 1 . 2]" 1 49 GLY 0.001 0.001 9 0 "[ . 1 . 2]" 1 50 PRO 0.001 0.001 9 0 "[ . 1 . 2]" 1 51 GLU 0.000 0.000 . 0 "[ . 1 . 2]" 1 52 LEU 0.000 0.000 . 0 "[ . 1 . 2]" 1 53 GLY 0.000 0.000 . 0 "[ . 1 . 2]" 1 54 ARG 0.169 0.076 5 0 "[ . 1 . 2]" 1 55 PHE 0.031 0.022 10 0 "[ . 1 . 2]" 1 56 TRP 0.009 0.006 18 0 "[ . 1 . 2]" 1 57 LYS 0.128 0.091 16 0 "[ . 1 . 2]" 1 58 TYR 0.007 0.002 18 0 "[ . 1 . 2]" 1 59 ARG 0.735 0.140 18 0 "[ . 1 . 2]" 1 60 VAL 0.012 0.005 19 0 "[ . 1 . 2]" 1 61 GLY 0.005 0.005 5 0 "[ . 1 . 2]" 1 62 ASP 0.000 0.000 . 0 "[ . 1 . 2]" 1 63 TYR 0.017 0.007 4 0 "[ . 1 . 2]" 1 64 ARG 0.022 0.006 6 0 "[ . 1 . 2]" 1 65 LEU 0.016 0.005 4 0 "[ . 1 . 2]" 1 66 ILE 0.067 0.034 11 0 "[ . 1 . 2]" 1 67 CYS 0.000 0.000 . 0 "[ . 1 . 2]" 1 68 HIS 0.016 0.005 15 0 "[ . 1 . 2]" 1 69 ILE 0.019 0.008 11 0 "[ . 1 . 2]" 1 70 GLN 0.010 0.003 4 0 "[ . 1 . 2]" 1 71 ASP 0.007 0.004 12 0 "[ . 1 . 2]" 1 72 ARG 0.000 0.000 . 0 "[ . 1 . 2]" 1 73 GLU 0.042 0.020 5 0 "[ . 1 . 2]" 1 74 ALA 0.034 0.020 5 0 "[ . 1 . 2]" 1 75 THR 0.004 0.003 4 0 "[ . 1 . 2]" 1 76 VAL 0.004 0.004 19 0 "[ . 1 . 2]" 1 77 LEU 0.022 0.005 15 0 "[ . 1 . 2]" 1 78 VAL 0.187 0.027 4 0 "[ . 1 . 2]" 1 79 LEU 0.032 0.006 13 0 "[ . 1 . 2]" 1 80 ARG 0.035 0.014 7 0 "[ . 1 . 2]" 1 81 VAL 0.344 0.027 4 0 "[ . 1 . 2]" 1 82 GLY 0.019 0.005 6 0 "[ . 1 . 2]" 1 83 HIS 0.019 0.008 13 0 "[ . 1 . 2]" 1 84 ALA 0.002 0.002 17 0 "[ . 1 . 2]" 1 85 ARG 0.019 0.008 13 0 "[ . 1 . 2]" 1 86 ASP 0.000 0.000 14 0 "[ . 1 . 2]" 1 87 VAL 0.011 0.004 11 0 "[ . 1 . 2]" 1 88 TYR 0.268 0.109 13 0 "[ . 1 . 2]" 1 89 ARG 0.095 0.036 14 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 2 GLY QA 1 3 TYR H . . 3.080 2.198 2.110 2.327 . 0 0 "[ . 1 . 2]" 1 2 1 2 GLY QA 1 3 TYR HB2 . . 4.590 4.212 4.062 4.284 . 0 0 "[ . 1 . 2]" 1 3 1 2 GLY QA 1 3 TYR QD . . 4.010 2.958 2.696 3.190 . 0 0 "[ . 1 . 2]" 1 4 1 3 TYR H 1 3 TYR HB2 . . 3.620 2.381 2.281 2.682 . 0 0 "[ . 1 . 2]" 1 5 1 3 TYR H 1 3 TYR HB3 . . 4.190 3.612 3.546 3.773 . 0 0 "[ . 1 . 2]" 1 6 1 3 TYR H 1 3 TYR QD . . 3.750 2.398 1.954 3.080 . 0 0 "[ . 1 . 2]" 1 7 1 3 TYR H 1 35 ALA HA . . 4.600 4.249 3.834 4.601 0.001 18 0 "[ . 1 . 2]" 1 8 1 3 TYR HA 1 3 TYR QD . . 3.620 3.017 2.842 3.121 . 0 0 "[ . 1 . 2]" 1 9 1 3 TYR HA 1 3 TYR QE . . 4.710 4.582 4.526 4.648 . 0 0 "[ . 1 . 2]" 1 10 1 3 TYR HA 1 4 ARG H . . 3.030 2.351 2.267 2.519 . 0 0 "[ . 1 . 2]" 1 11 1 3 TYR HA 1 74 ALA MB . . 3.520 2.884 2.591 3.312 . 0 0 "[ . 1 . 2]" 1 12 1 3 TYR HA 1 75 THR HA . . 4.670 3.965 3.722 4.327 . 0 0 "[ . 1 . 2]" 1 13 1 3 TYR HB2 1 4 ARG H . . 4.110 3.871 3.552 4.033 . 0 0 "[ . 1 . 2]" 1 14 1 3 TYR HB2 1 76 VAL MG2 . . 3.600 3.212 2.830 3.520 . 0 0 "[ . 1 . 2]" 1 15 1 3 TYR HB3 1 4 ARG H . . 3.620 2.578 2.178 2.809 . 0 0 "[ . 1 . 2]" 1 16 1 3 TYR HB3 1 5 ILE MD . . 4.670 4.013 3.769 4.254 . 0 0 "[ . 1 . 2]" 1 17 1 3 TYR HB3 1 75 THR HA . . 3.990 3.159 2.842 3.431 . 0 0 "[ . 1 . 2]" 1 18 1 3 TYR HB3 1 76 VAL H . . 4.260 3.277 2.860 3.514 . 0 0 "[ . 1 . 2]" 1 19 1 3 TYR HB3 1 76 VAL MG2 . . 3.480 2.593 2.287 2.837 . 0 0 "[ . 1 . 2]" 1 20 1 3 TYR QD 1 4 ARG H . . 4.390 3.840 3.539 3.993 . 0 0 "[ . 1 . 2]" 1 21 1 3 TYR QD 1 40 PRO QG . . 3.600 2.918 2.528 3.441 . 0 0 "[ . 1 . 2]" 1 22 1 3 TYR QD 1 69 ILE MG . . 3.620 3.343 3.028 3.603 . 0 0 "[ . 1 . 2]" 1 23 1 3 TYR QD 1 71 ASP HA . . 5.190 5.058 4.535 5.194 0.004 12 0 "[ . 1 . 2]" 1 24 1 3 TYR QD 1 74 ALA HA . . 4.290 2.886 2.570 3.266 . 0 0 "[ . 1 . 2]" 1 25 1 3 TYR QD 1 74 ALA MB . . 3.870 2.932 2.641 3.494 . 0 0 "[ . 1 . 2]" 1 26 1 3 TYR QD 1 75 THR H . . 4.150 3.608 3.115 3.953 . 0 0 "[ . 1 . 2]" 1 27 1 3 TYR QD 1 75 THR HA . . 4.460 3.352 2.778 3.695 . 0 0 "[ . 1 . 2]" 1 28 1 3 TYR QD 1 76 VAL MG2 . . 3.310 2.580 2.362 2.847 . 0 0 "[ . 1 . 2]" 1 29 1 3 TYR QE 1 40 PRO QD . . 4.340 2.815 2.436 3.234 . 0 0 "[ . 1 . 2]" 1 30 1 3 TYR QE 1 40 PRO QG . . 4.040 2.908 2.539 3.420 . 0 0 "[ . 1 . 2]" 1 31 1 3 TYR QE 1 69 ILE MG . . 3.080 2.743 2.194 3.056 . 0 0 "[ . 1 . 2]" 1 32 1 3 TYR QE 1 71 ASP HA . . 3.290 3.176 2.666 3.291 0.001 17 0 "[ . 1 . 2]" 1 33 1 3 TYR QE 1 74 ALA H . . 4.700 4.226 3.897 4.487 . 0 0 "[ . 1 . 2]" 1 34 1 3 TYR QE 1 74 ALA HA . . 4.020 2.141 2.004 2.369 . 0 0 "[ . 1 . 2]" 1 35 1 3 TYR QE 1 74 ALA MB . . 4.130 2.666 2.439 3.293 . 0 0 "[ . 1 . 2]" 1 36 1 3 TYR QE 1 75 THR H . . 4.430 4.226 3.517 4.413 . 0 0 "[ . 1 . 2]" 1 37 1 3 TYR QE 1 76 VAL MG2 . . 4.470 4.086 3.830 4.465 . 0 0 "[ . 1 . 2]" 1 38 1 4 ARG H 1 4 ARG QB . . 3.250 2.288 2.249 2.342 . 0 0 "[ . 1 . 2]" 1 39 1 4 ARG H 1 4 ARG QG . . 4.140 3.979 3.926 4.057 . 0 0 "[ . 1 . 2]" 1 40 1 4 ARG H 1 74 ALA MB . . 4.230 3.975 3.734 4.229 . 0 0 "[ . 1 . 2]" 1 41 1 4 ARG H 1 75 THR HA . . 3.410 2.220 2.040 2.494 . 0 0 "[ . 1 . 2]" 1 42 1 4 ARG H 1 75 THR MG . . 4.180 3.583 2.982 3.853 . 0 0 "[ . 1 . 2]" 1 43 1 4 ARG H 1 76 VAL H . . 4.140 3.378 3.126 3.667 . 0 0 "[ . 1 . 2]" 1 44 1 4 ARG HA 1 4 ARG QG . . 3.450 2.593 2.314 2.978 . 0 0 "[ . 1 . 2]" 1 45 1 4 ARG HA 1 5 ILE H . . 2.810 2.270 2.216 2.329 . 0 0 "[ . 1 . 2]" 1 46 1 4 ARG HA 1 5 ILE HB . . 4.910 4.753 4.687 4.841 . 0 0 "[ . 1 . 2]" 1 47 1 4 ARG HA 1 5 ILE HG12 . . 4.510 3.457 3.330 3.599 . 0 0 "[ . 1 . 2]" 1 48 1 4 ARG HA 1 5 ILE HG13 . . 5.350 5.207 5.066 5.346 . 0 0 "[ . 1 . 2]" 1 49 1 4 ARG QB 1 75 THR HA . . 3.750 2.577 2.232 2.819 . 0 0 "[ . 1 . 2]" 1 50 1 4 ARG QB 1 75 THR MG . . 3.370 2.004 1.905 2.215 . 0 0 "[ . 1 . 2]" 1 51 1 4 ARG QD 1 75 THR MG . . 4.730 3.411 2.278 4.397 . 0 0 "[ . 1 . 2]" 1 52 1 4 ARG QG 1 5 ILE H . . 3.430 2.166 1.883 2.424 . 0 0 "[ . 1 . 2]" 1 53 1 4 ARG QG 1 6 GLU QG . . 4.450 2.286 2.113 2.816 . 0 0 "[ . 1 . 2]" 1 54 1 4 ARG QG 1 75 THR HA . . 4.400 4.303 4.131 4.403 0.003 4 0 "[ . 1 . 2]" 1 55 1 4 ARG QG 1 75 THR MG . . 3.360 2.515 2.208 2.828 . 0 0 "[ . 1 . 2]" 1 56 1 5 ILE H 1 5 ILE HB . . 3.200 2.666 2.568 2.759 . 0 0 "[ . 1 . 2]" 1 57 1 5 ILE H 1 5 ILE MD . . 4.000 3.341 3.062 3.595 . 0 0 "[ . 1 . 2]" 1 58 1 5 ILE H 1 5 ILE HG12 . . 3.600 2.488 2.292 2.583 . 0 0 "[ . 1 . 2]" 1 59 1 5 ILE H 1 5 ILE HG13 . . 4.010 3.934 3.766 4.012 0.002 20 0 "[ . 1 . 2]" 1 60 1 5 ILE H 1 5 ILE MG . . 4.080 3.853 3.817 3.887 . 0 0 "[ . 1 . 2]" 1 61 1 5 ILE H 1 6 GLU H . . 4.600 4.208 4.104 4.328 . 0 0 "[ . 1 . 2]" 1 62 1 5 ILE MD 1 6 GLU H . . 4.190 3.869 3.792 3.994 . 0 0 "[ . 1 . 2]" 1 63 1 5 ILE MD 1 30 LEU HA . . 4.300 4.063 3.721 4.302 0.002 2 0 "[ . 1 . 2]" 1 64 1 5 ILE MD 1 30 LEU HB3 . . 3.640 2.592 2.336 2.851 . 0 0 "[ . 1 . 2]" 1 65 1 5 ILE MD 1 30 LEU MD1 . . 4.140 4.071 3.922 4.141 0.001 13 0 "[ . 1 . 2]" 1 66 1 5 ILE MD 1 34 VAL MG2 . . 4.300 3.995 3.325 4.300 0.000 4 0 "[ . 1 . 2]" 1 67 1 5 ILE MD 1 35 ALA H . . 4.340 4.060 3.702 4.341 0.001 13 0 "[ . 1 . 2]" 1 68 1 5 ILE MD 1 35 ALA HA . . 3.690 3.358 3.169 3.515 . 0 0 "[ . 1 . 2]" 1 69 1 5 ILE MD 1 35 ALA MB . . 3.600 3.573 3.470 3.605 0.005 15 0 "[ . 1 . 2]" 1 70 1 5 ILE MD 1 76 VAL H . . 4.180 3.877 3.695 4.049 . 0 0 "[ . 1 . 2]" 1 71 1 5 ILE MD 1 76 VAL HB . . 3.190 2.943 2.777 3.183 . 0 0 "[ . 1 . 2]" 1 72 1 5 ILE MD 1 76 VAL MG1 . . 4.100 3.737 3.589 4.086 . 0 0 "[ . 1 . 2]" 1 73 1 5 ILE MD 1 76 VAL MG2 . . 3.640 3.355 2.999 3.582 . 0 0 "[ . 1 . 2]" 1 74 1 5 ILE HG12 1 5 ILE MG . . 3.480 3.188 3.182 3.201 . 0 0 "[ . 1 . 2]" 1 75 1 5 ILE HG13 1 5 ILE MG . . 3.250 2.332 2.254 2.460 . 0 0 "[ . 1 . 2]" 1 76 1 5 ILE HG13 1 30 LEU HB3 . . 3.980 3.768 3.537 3.982 0.002 10 0 "[ . 1 . 2]" 1 77 1 5 ILE HG13 1 31 ARG HA . . 4.230 2.807 2.294 3.165 . 0 0 "[ . 1 . 2]" 1 78 1 5 ILE HG13 1 35 ALA MB . . 4.030 3.771 3.448 4.029 . 0 0 "[ . 1 . 2]" 1 79 1 5 ILE MG 1 6 GLU H . . 3.430 2.926 2.739 3.149 . 0 0 "[ . 1 . 2]" 1 80 1 5 ILE MG 1 6 GLU QB . . 5.340 4.648 4.517 4.740 . 0 0 "[ . 1 . 2]" 1 81 1 5 ILE MG 1 7 PHE QE . . 3.750 1.880 1.823 1.975 . 0 0 "[ . 1 . 2]" 1 82 1 5 ILE MG 1 7 PHE HZ . . 4.390 3.535 3.371 3.686 . 0 0 "[ . 1 . 2]" 1 83 1 5 ILE MG 1 30 LEU HB3 . . 3.420 2.582 2.266 2.862 . 0 0 "[ . 1 . 2]" 1 84 1 5 ILE MG 1 30 LEU MD1 . . 3.190 3.146 2.995 3.197 0.007 8 0 "[ . 1 . 2]" 1 85 1 5 ILE MG 1 30 LEU HG . . 5.500 4.930 4.764 5.135 . 0 0 "[ . 1 . 2]" 1 86 1 5 ILE MG 1 31 ARG HA . . 4.790 4.106 3.683 4.344 . 0 0 "[ . 1 . 2]" 1 87 1 6 GLU H 1 6 GLU HB2 . . 3.810 2.481 2.377 2.595 . 0 0 "[ . 1 . 2]" 1 88 1 6 GLU H 1 6 GLU QB . . 3.270 2.443 2.343 2.550 . 0 0 "[ . 1 . 2]" 1 89 1 6 GLU H 1 6 GLU HB3 . . 3.810 3.652 3.554 3.747 . 0 0 "[ . 1 . 2]" 1 90 1 6 GLU H 1 6 GLU QG . . 3.930 3.247 2.907 3.390 . 0 0 "[ . 1 . 2]" 1 91 1 6 GLU H 1 75 THR MG . . 3.880 3.588 3.267 3.786 . 0 0 "[ . 1 . 2]" 1 92 1 6 GLU H 1 76 VAL H . . 4.420 3.948 3.612 4.315 . 0 0 "[ . 1 . 2]" 1 93 1 6 GLU H 1 76 VAL MG1 . . 4.740 4.177 3.990 4.369 . 0 0 "[ . 1 . 2]" 1 94 1 6 GLU H 1 77 LEU HA . . 3.710 3.029 2.815 3.230 . 0 0 "[ . 1 . 2]" 1 95 1 6 GLU H 1 77 LEU QD . . 5.050 4.348 3.992 4.984 . 0 0 "[ . 1 . 2]" 1 96 1 6 GLU H 1 78 VAL H . . 4.470 4.071 3.912 4.291 . 0 0 "[ . 1 . 2]" 1 97 1 6 GLU H 1 78 VAL MG2 . . 4.300 4.182 3.941 4.310 0.010 19 0 "[ . 1 . 2]" 1 98 1 6 GLU QB 1 7 PHE H . . 3.470 2.555 2.376 2.729 . 0 0 "[ . 1 . 2]" 1 99 1 6 GLU QB 1 75 THR MG . . 3.380 2.785 2.442 2.933 . 0 0 "[ . 1 . 2]" 1 100 1 6 GLU QB 1 77 LEU HA . . 3.630 2.427 2.031 2.641 . 0 0 "[ . 1 . 2]" 1 101 1 6 GLU QB 1 77 LEU QD . . 3.000 2.022 1.796 2.726 . 0 0 "[ . 1 . 2]" 1 102 1 6 GLU HB2 1 7 PHE H . . 4.140 3.893 3.657 4.033 . 0 0 "[ . 1 . 2]" 1 103 1 6 GLU HB2 1 75 THR MG . . 4.220 2.841 2.476 3.007 . 0 0 "[ . 1 . 2]" 1 104 1 6 GLU HB2 1 77 LEU HA . . 4.130 2.515 2.075 2.752 . 0 0 "[ . 1 . 2]" 1 105 1 6 GLU HB3 1 7 PHE H . . 4.140 2.591 2.408 2.775 . 0 0 "[ . 1 . 2]" 1 106 1 6 GLU HB3 1 75 THR MG . . 4.220 4.013 3.718 4.205 . 0 0 "[ . 1 . 2]" 1 107 1 6 GLU HB3 1 77 LEU HA . . 4.130 3.250 2.883 3.593 . 0 0 "[ . 1 . 2]" 1 108 1 6 GLU QG 1 7 PHE H . . 4.230 3.981 3.642 4.223 . 0 0 "[ . 1 . 2]" 1 109 1 6 GLU QG 1 75 THR MG . . 3.240 2.417 1.957 2.749 . 0 0 "[ . 1 . 2]" 1 110 1 6 GLU QG 1 77 LEU QD . . 4.290 3.511 3.165 3.954 . 0 0 "[ . 1 . 2]" 1 111 1 6 GLU HG2 1 7 PHE H . . 5.070 4.327 3.756 4.799 . 0 0 "[ . 1 . 2]" 1 112 1 6 GLU HG2 1 75 THR MG . . 3.890 3.157 2.461 3.678 . 0 0 "[ . 1 . 2]" 1 113 1 6 GLU HG3 1 7 PHE H . . 5.070 4.752 4.472 4.973 . 0 0 "[ . 1 . 2]" 1 114 1 6 GLU HG3 1 75 THR MG . . 3.890 2.597 1.969 3.144 . 0 0 "[ . 1 . 2]" 1 115 1 7 PHE H 1 7 PHE HB2 . . 3.300 2.638 2.616 2.648 . 0 0 "[ . 1 . 2]" 1 116 1 7 PHE H 1 7 PHE HB3 . . 3.860 3.738 3.726 3.744 . 0 0 "[ . 1 . 2]" 1 117 1 7 PHE H 1 7 PHE QD . . 3.780 3.111 3.010 3.301 . 0 0 "[ . 1 . 2]" 1 118 1 7 PHE H 1 8 ASP H . . 4.640 4.263 4.102 4.391 . 0 0 "[ . 1 . 2]" 1 119 1 7 PHE H 1 77 LEU QD . . 4.520 3.136 2.519 4.263 . 0 0 "[ . 1 . 2]" 1 120 1 7 PHE HA 1 78 VAL HB . . 3.630 2.274 2.000 2.672 . 0 0 "[ . 1 . 2]" 1 121 1 7 PHE HA 1 78 VAL MG2 . . 4.430 2.800 2.075 3.166 . 0 0 "[ . 1 . 2]" 1 122 1 7 PHE HB2 1 8 ASP H . . 4.660 4.315 4.099 4.462 . 0 0 "[ . 1 . 2]" 1 123 1 7 PHE HB2 1 12 GLU H . . 5.500 4.965 4.752 5.191 . 0 0 "[ . 1 . 2]" 1 124 1 7 PHE HB2 1 12 GLU QB . . 4.800 4.641 4.284 4.808 0.008 11 0 "[ . 1 . 2]" 1 125 1 7 PHE HB2 1 12 GLU HG2 . . 4.410 3.058 2.630 4.052 . 0 0 "[ . 1 . 2]" 1 126 1 7 PHE HB2 1 12 GLU QG . . 3.850 2.838 2.431 3.725 . 0 0 "[ . 1 . 2]" 1 127 1 7 PHE HB2 1 12 GLU HG3 . . 4.410 3.526 2.743 4.398 . 0 0 "[ . 1 . 2]" 1 128 1 7 PHE HB3 1 8 ASP H . . 4.380 3.283 2.889 3.593 . 0 0 "[ . 1 . 2]" 1 129 1 7 PHE HB3 1 11 ALA MB . . 3.960 3.329 3.131 3.606 . 0 0 "[ . 1 . 2]" 1 130 1 7 PHE HB3 1 12 GLU H . . 4.130 3.437 3.222 3.690 . 0 0 "[ . 1 . 2]" 1 131 1 7 PHE HB3 1 12 GLU HA . . 4.620 3.518 3.256 3.693 . 0 0 "[ . 1 . 2]" 1 132 1 7 PHE HB3 1 12 GLU QB . . 4.050 3.907 3.369 4.061 0.011 3 0 "[ . 1 . 2]" 1 133 1 7 PHE HB3 1 12 GLU HG2 . . 4.340 2.590 1.994 3.832 . 0 0 "[ . 1 . 2]" 1 134 1 7 PHE HB3 1 12 GLU QG . . 3.750 2.345 1.984 3.591 . 0 0 "[ . 1 . 2]" 1 135 1 7 PHE HB3 1 12 GLU HG3 . . 4.340 3.261 2.051 4.343 0.003 4 0 "[ . 1 . 2]" 1 136 1 7 PHE QD 1 11 ALA H . . 5.500 5.506 5.491 5.524 0.024 4 0 "[ . 1 . 2]" 1 137 1 7 PHE QD 1 11 ALA MB . . 3.270 2.767 2.567 2.885 . 0 0 "[ . 1 . 2]" 1 138 1 7 PHE QD 1 12 GLU H . . 4.810 4.068 3.855 4.299 . 0 0 "[ . 1 . 2]" 1 139 1 7 PHE QD 1 12 GLU HA . . 4.190 3.586 3.298 4.028 . 0 0 "[ . 1 . 2]" 1 140 1 7 PHE QD 1 12 GLU QB . . 5.470 4.898 4.462 5.185 . 0 0 "[ . 1 . 2]" 1 141 1 7 PHE QD 1 15 LEU QD . . 3.760 3.569 3.208 3.763 0.003 10 0 "[ . 1 . 2]" 1 142 1 7 PHE QD 1 78 VAL HB . . 4.050 2.789 2.420 3.077 . 0 0 "[ . 1 . 2]" 1 143 1 7 PHE QD 1 78 VAL MG1 . . 3.910 2.878 2.494 3.361 . 0 0 "[ . 1 . 2]" 1 144 1 7 PHE QD 1 78 VAL MG2 . . 4.320 2.794 2.453 3.089 . 0 0 "[ . 1 . 2]" 1 145 1 7 PHE QD 1 81 VAL HB . . 5.500 5.262 4.648 5.506 0.006 14 0 "[ . 1 . 2]" 1 146 1 7 PHE QD 1 81 VAL QG . . 4.610 3.730 3.222 4.442 . 0 0 "[ . 1 . 2]" 1 147 1 7 PHE QE 1 27 LEU MD2 . . 3.590 2.711 2.419 3.124 . 0 0 "[ . 1 . 2]" 1 148 1 7 PHE QE 1 30 LEU MD1 . . 4.160 3.025 2.803 3.213 . 0 0 "[ . 1 . 2]" 1 149 1 7 PHE QE 1 78 VAL MG1 . . 3.980 2.956 2.637 3.303 . 0 0 "[ . 1 . 2]" 1 150 1 7 PHE QE 1 78 VAL MG2 . . 4.490 2.498 2.314 2.617 . 0 0 "[ . 1 . 2]" 1 151 1 7 PHE QE 1 81 VAL QG . . 4.500 3.200 2.581 3.991 . 0 0 "[ . 1 . 2]" 1 152 1 7 PHE HZ 1 27 LEU MD2 . . 3.360 2.507 2.235 3.136 . 0 0 "[ . 1 . 2]" 1 153 1 7 PHE HZ 1 30 LEU MD1 . . 3.530 2.053 1.895 2.385 . 0 0 "[ . 1 . 2]" 1 154 1 7 PHE HZ 1 78 VAL MG1 . . 4.610 4.464 4.203 4.619 0.009 20 0 "[ . 1 . 2]" 1 155 1 8 ASP H 1 8 ASP HB2 . . 3.490 2.463 2.164 3.575 0.085 4 0 "[ . 1 . 2]" 1 156 1 8 ASP H 1 8 ASP HB3 . . 3.490 3.345 2.718 3.517 0.027 6 0 "[ . 1 . 2]" 1 157 1 8 ASP H 1 11 ALA H . . 4.590 4.234 4.029 4.427 . 0 0 "[ . 1 . 2]" 1 158 1 8 ASP H 1 11 ALA MB . . 3.540 3.040 2.789 3.327 . 0 0 "[ . 1 . 2]" 1 159 1 8 ASP H 1 77 LEU QD . . 3.710 2.777 2.280 3.439 . 0 0 "[ . 1 . 2]" 1 160 1 8 ASP H 1 78 VAL H . . 4.200 3.474 3.153 3.731 . 0 0 "[ . 1 . 2]" 1 161 1 8 ASP H 1 78 VAL HB . . 4.380 2.796 2.356 3.214 . 0 0 "[ . 1 . 2]" 1 162 1 8 ASP H 1 79 LEU HA . . 4.250 4.158 4.038 4.254 0.004 15 0 "[ . 1 . 2]" 1 163 1 8 ASP HA 1 9 PRO HD2 . . 2.930 2.522 2.447 2.545 . 0 0 "[ . 1 . 2]" 1 164 1 8 ASP HA 1 9 PRO HD3 . . 3.060 2.353 2.316 2.366 . 0 0 "[ . 1 . 2]" 1 165 1 8 ASP HA 1 9 PRO HG2 . . 4.850 4.612 4.550 4.631 . 0 0 "[ . 1 . 2]" 1 166 1 8 ASP HA 1 9 PRO QG . . 4.250 4.080 4.031 4.095 . 0 0 "[ . 1 . 2]" 1 167 1 8 ASP HA 1 9 PRO HG3 . . 4.850 4.549 4.499 4.564 . 0 0 "[ . 1 . 2]" 1 168 1 8 ASP HA 1 77 LEU QD . . 3.320 2.537 2.143 3.230 . 0 0 "[ . 1 . 2]" 1 169 1 8 ASP QB 1 9 PRO HD2 . . 4.270 1.974 1.946 1.990 . 0 0 "[ . 1 . 2]" 1 170 1 8 ASP QB 1 9 PRO HD3 . . 4.600 3.330 3.227 3.362 . 0 0 "[ . 1 . 2]" 1 171 1 8 ASP QB 1 10 ARG H . . 3.960 2.206 2.174 2.369 . 0 0 "[ . 1 . 2]" 1 172 1 8 ASP QB 1 11 ALA H . . 3.970 2.728 2.588 3.198 . 0 0 "[ . 1 . 2]" 1 173 1 8 ASP QB 1 11 ALA MB . . 3.690 2.874 2.457 3.699 0.009 4 0 "[ . 1 . 2]" 1 174 1 8 ASP QB 1 12 GLU H . . 5.340 4.162 3.952 4.715 . 0 0 "[ . 1 . 2]" 1 175 1 8 ASP QB 1 77 LEU QD . . 3.320 3.118 2.636 3.324 0.004 5 0 "[ . 1 . 2]" 1 176 1 8 ASP QB 1 77 LEU HG . . 4.510 3.832 3.411 4.511 0.001 1 0 "[ . 1 . 2]" 1 177 1 8 ASP QB 1 79 LEU HA . . 3.510 2.798 2.619 3.057 . 0 0 "[ . 1 . 2]" 1 178 1 8 ASP QB 1 79 LEU QD . . 3.440 3.361 2.910 3.446 0.006 13 0 "[ . 1 . 2]" 1 179 1 8 ASP HB2 1 10 ARG H . . 4.650 3.200 2.293 3.453 . 0 0 "[ . 1 . 2]" 1 180 1 8 ASP HB2 1 11 ALA H . . 4.840 2.979 2.894 3.291 . 0 0 "[ . 1 . 2]" 1 181 1 8 ASP HB2 1 11 ALA MB . . 4.270 2.991 2.503 4.067 . 0 0 "[ . 1 . 2]" 1 182 1 8 ASP HB2 1 79 LEU HA . . 4.040 3.042 2.668 4.044 0.004 8 0 "[ . 1 . 2]" 1 183 1 8 ASP HB3 1 10 ARG H . . 4.650 2.568 2.199 4.042 . 0 0 "[ . 1 . 2]" 1 184 1 8 ASP HB3 1 11 ALA H . . 4.840 3.259 2.917 4.354 . 0 0 "[ . 1 . 2]" 1 185 1 8 ASP HB3 1 11 ALA MB . . 4.270 3.862 3.567 4.265 . 0 0 "[ . 1 . 2]" 1 186 1 8 ASP HB3 1 79 LEU HA . . 4.040 3.776 2.935 4.042 0.002 17 0 "[ . 1 . 2]" 1 187 1 9 PRO HA 1 12 GLU H . . 4.380 4.153 4.043 4.263 . 0 0 "[ . 1 . 2]" 1 188 1 9 PRO HA 1 12 GLU QB . . 3.240 3.067 2.968 3.176 . 0 0 "[ . 1 . 2]" 1 189 1 9 PRO HA 1 12 GLU QG . . 4.290 3.770 3.413 4.297 0.007 4 0 "[ . 1 . 2]" 1 190 1 9 PRO HA 1 13 LYS H . . 5.240 4.935 4.835 5.057 . 0 0 "[ . 1 . 2]" 1 191 1 9 PRO QB 1 10 ARG H . . 3.740 3.549 3.515 3.599 . 0 0 "[ . 1 . 2]" 1 192 1 9 PRO HB2 1 10 ARG H . . 4.620 3.750 3.709 3.813 . 0 0 "[ . 1 . 2]" 1 193 1 9 PRO HB3 1 10 ARG H . . 4.620 4.383 4.358 4.418 . 0 0 "[ . 1 . 2]" 1 194 1 9 PRO HD2 1 10 ARG H . . 4.450 2.802 2.770 2.855 . 0 0 "[ . 1 . 2]" 1 195 1 9 PRO HD2 1 10 ARG QB . . 4.810 4.177 4.016 4.429 . 0 0 "[ . 1 . 2]" 1 196 1 9 PRO HD3 1 10 ARG H . . 4.150 3.925 3.909 3.953 . 0 0 "[ . 1 . 2]" 1 197 1 9 PRO QG 1 10 ARG H . . 4.500 2.917 2.854 3.015 . 0 0 "[ . 1 . 2]" 1 198 1 10 ARG H 1 10 ARG HB2 . . 3.700 2.421 2.256 3.665 . 0 0 "[ . 1 . 2]" 1 199 1 10 ARG H 1 10 ARG QB . . 2.910 2.346 2.231 2.732 . 0 0 "[ . 1 . 2]" 1 200 1 10 ARG H 1 10 ARG HB3 . . 3.700 3.554 2.819 3.663 . 0 0 "[ . 1 . 2]" 1 201 1 10 ARG H 1 10 ARG QD . . 4.700 3.826 1.973 4.444 . 0 0 "[ . 1 . 2]" 1 202 1 10 ARG H 1 10 ARG HG2 . . 4.330 3.450 1.931 4.330 . 0 0 "[ . 1 . 2]" 1 203 1 10 ARG H 1 10 ARG HG3 . . 4.330 3.526 2.782 4.115 . 0 0 "[ . 1 . 2]" 1 204 1 10 ARG H 1 11 ALA H . . 3.240 2.315 2.265 2.365 . 0 0 "[ . 1 . 2]" 1 205 1 10 ARG H 1 11 ALA MB . . 4.680 3.964 3.886 4.008 . 0 0 "[ . 1 . 2]" 1 206 1 10 ARG H 1 12 GLU H . . 4.770 3.758 3.599 3.931 . 0 0 "[ . 1 . 2]" 1 207 1 10 ARG HA 1 10 ARG QD . . 4.320 3.066 1.989 4.287 . 0 0 "[ . 1 . 2]" 1 208 1 10 ARG HA 1 10 ARG HG2 . . 4.040 2.826 2.298 3.647 . 0 0 "[ . 1 . 2]" 1 209 1 10 ARG HA 1 10 ARG QG . . 3.490 2.517 2.242 3.343 . 0 0 "[ . 1 . 2]" 1 210 1 10 ARG HA 1 10 ARG HG3 . . 4.040 3.224 2.315 3.884 . 0 0 "[ . 1 . 2]" 1 211 1 10 ARG HA 1 12 GLU H . . 5.010 4.597 4.342 4.843 . 0 0 "[ . 1 . 2]" 1 212 1 10 ARG HA 1 13 LYS H . . 4.270 3.908 3.755 3.993 . 0 0 "[ . 1 . 2]" 1 213 1 10 ARG QB 1 10 ARG QD . . 3.310 2.221 2.064 2.562 . 0 0 "[ . 1 . 2]" 1 214 1 10 ARG QB 1 11 ALA H . . 3.230 2.503 2.386 3.229 . 0 0 "[ . 1 . 2]" 1 215 1 10 ARG HB2 1 11 ALA H . . 4.040 2.592 2.436 3.509 . 0 0 "[ . 1 . 2]" 1 216 1 10 ARG HB3 1 11 ALA H . . 4.040 3.356 3.085 3.772 . 0 0 "[ . 1 . 2]" 1 217 1 10 ARG QG 1 11 ALA H . . 4.690 4.063 1.810 4.434 . 0 0 "[ . 1 . 2]" 1 218 1 11 ALA H 1 11 ALA MB . . 3.020 2.174 2.025 2.237 . 0 0 "[ . 1 . 2]" 1 219 1 11 ALA H 1 12 GLU H . . 3.140 2.732 2.670 2.823 . 0 0 "[ . 1 . 2]" 1 220 1 11 ALA HA 1 14 GLU H . . 3.720 3.154 3.024 3.297 . 0 0 "[ . 1 . 2]" 1 221 1 11 ALA HA 1 14 GLU HB2 . . 3.610 2.194 2.038 2.367 . 0 0 "[ . 1 . 2]" 1 222 1 11 ALA HA 1 14 GLU HB3 . . 3.970 3.802 3.679 3.955 . 0 0 "[ . 1 . 2]" 1 223 1 11 ALA HA 1 14 GLU HG2 . . 4.620 3.761 2.950 4.623 0.003 10 0 "[ . 1 . 2]" 1 224 1 11 ALA HA 1 14 GLU HG3 . . 4.620 2.971 2.404 3.629 . 0 0 "[ . 1 . 2]" 1 225 1 11 ALA HA 1 15 LEU H . . 4.580 3.875 3.620 4.054 . 0 0 "[ . 1 . 2]" 1 226 1 11 ALA HA 1 80 ARG HA . . 4.080 3.754 3.004 4.082 0.002 4 0 "[ . 1 . 2]" 1 227 1 11 ALA HA 1 81 VAL H . . 4.300 3.860 3.246 4.204 . 0 0 "[ . 1 . 2]" 1 228 1 11 ALA HA 1 81 VAL QG . . 4.080 3.345 2.583 3.927 . 0 0 "[ . 1 . 2]" 1 229 1 11 ALA MB 1 12 GLU H . . 3.440 2.494 2.285 2.660 . 0 0 "[ . 1 . 2]" 1 230 1 11 ALA MB 1 12 GLU HA . . 4.550 3.739 3.611 3.830 . 0 0 "[ . 1 . 2]" 1 231 1 11 ALA MB 1 14 GLU HB2 . . 4.210 3.554 3.383 3.855 . 0 0 "[ . 1 . 2]" 1 232 1 11 ALA MB 1 78 VAL MG1 . . 3.000 2.214 2.043 2.409 . 0 0 "[ . 1 . 2]" 1 233 1 11 ALA MB 1 79 LEU HA . . 3.910 3.690 3.353 3.914 0.004 4 0 "[ . 1 . 2]" 1 234 1 11 ALA MB 1 80 ARG H . . 4.320 3.900 3.545 4.145 . 0 0 "[ . 1 . 2]" 1 235 1 11 ALA MB 1 80 ARG HA . . 3.650 2.906 2.301 3.336 . 0 0 "[ . 1 . 2]" 1 236 1 11 ALA MB 1 81 VAL H . . 3.950 3.603 3.167 3.951 0.001 18 0 "[ . 1 . 2]" 1 237 1 11 ALA MB 1 81 VAL HB . . 3.550 3.035 2.271 3.480 . 0 0 "[ . 1 . 2]" 1 238 1 11 ALA MB 1 81 VAL QG . . 3.130 2.321 1.849 2.641 . 0 0 "[ . 1 . 2]" 1 239 1 12 GLU H 1 12 GLU QB . . 3.030 2.251 2.111 2.375 . 0 0 "[ . 1 . 2]" 1 240 1 12 GLU H 1 12 GLU HG2 . . 4.470 3.255 2.560 4.050 . 0 0 "[ . 1 . 2]" 1 241 1 12 GLU H 1 12 GLU QG . . 3.670 2.842 2.463 3.720 0.050 7 0 "[ . 1 . 2]" 1 242 1 12 GLU H 1 12 GLU HG3 . . 4.470 3.498 2.511 4.361 . 0 0 "[ . 1 . 2]" 1 243 1 12 GLU H 1 13 LYS H . . 3.330 2.981 2.849 3.087 . 0 0 "[ . 1 . 2]" 1 244 1 12 GLU HA 1 12 GLU HG2 . . 3.910 2.391 2.171 2.689 . 0 0 "[ . 1 . 2]" 1 245 1 12 GLU HA 1 12 GLU HG3 . . 3.910 3.391 2.767 3.659 . 0 0 "[ . 1 . 2]" 1 246 1 12 GLU HA 1 15 LEU H . . 4.050 3.883 3.660 4.058 0.008 8 0 "[ . 1 . 2]" 1 247 1 12 GLU HA 1 15 LEU QB . . 3.310 3.163 2.782 3.310 0.000 17 0 "[ . 1 . 2]" 1 248 1 12 GLU HA 1 15 LEU QD . . 4.470 3.654 3.285 4.392 . 0 0 "[ . 1 . 2]" 1 249 1 12 GLU QB 1 13 LYS H . . 3.420 2.547 2.356 2.708 . 0 0 "[ . 1 . 2]" 1 250 1 12 GLU QG 1 13 LYS H . . 5.090 4.311 4.239 4.416 . 0 0 "[ . 1 . 2]" 1 251 1 13 LYS H 1 13 LYS QB . . 2.810 2.327 2.163 2.556 . 0 0 "[ . 1 . 2]" 1 252 1 13 LYS H 1 13 LYS HG2 . . 3.870 2.624 2.089 3.222 . 0 0 "[ . 1 . 2]" 1 253 1 13 LYS H 1 13 LYS QG . . 3.400 2.530 2.072 3.018 . 0 0 "[ . 1 . 2]" 1 254 1 13 LYS H 1 13 LYS HG3 . . 3.870 3.532 2.663 3.863 . 0 0 "[ . 1 . 2]" 1 255 1 13 LYS H 1 14 GLU H . . 3.260 2.561 2.467 2.670 . 0 0 "[ . 1 . 2]" 1 256 1 13 LYS HA 1 13 LYS QD . . 3.590 2.439 2.050 3.622 0.032 10 0 "[ . 1 . 2]" 1 257 1 13 LYS HA 1 13 LYS QE . . 4.390 3.801 1.975 4.394 0.004 10 0 "[ . 1 . 2]" 1 258 1 13 LYS HA 1 13 LYS HG2 . . 3.840 2.667 2.297 3.056 . 0 0 "[ . 1 . 2]" 1 259 1 13 LYS HA 1 13 LYS QG . . 3.340 2.608 2.260 2.947 . 0 0 "[ . 1 . 2]" 1 260 1 13 LYS HA 1 13 LYS HG3 . . 3.840 3.712 3.356 3.865 0.025 8 0 "[ . 1 . 2]" 1 261 1 13 LYS HA 1 16 GLU QB . . 3.280 2.509 2.070 3.221 . 0 0 "[ . 1 . 2]" 1 262 1 13 LYS HA 1 16 GLU QG . . 3.980 3.262 2.015 3.976 . 0 0 "[ . 1 . 2]" 1 263 1 13 LYS QB 1 14 GLU H . . 3.360 2.516 2.394 2.620 . 0 0 "[ . 1 . 2]" 1 264 1 13 LYS HB2 1 14 GLU H . . 4.090 2.592 2.427 2.769 . 0 0 "[ . 1 . 2]" 1 265 1 13 LYS HB3 1 14 GLU H . . 4.090 3.450 3.211 3.668 . 0 0 "[ . 1 . 2]" 1 266 1 14 GLU H 1 14 GLU HB2 . . 3.580 2.468 2.287 2.544 . 0 0 "[ . 1 . 2]" 1 267 1 14 GLU H 1 14 GLU HB3 . . 3.750 3.584 3.547 3.594 . 0 0 "[ . 1 . 2]" 1 268 1 14 GLU H 1 14 GLU HG2 . . 3.590 2.659 2.088 3.547 . 0 0 "[ . 1 . 2]" 1 269 1 14 GLU H 1 14 GLU HG3 . . 3.590 3.034 2.108 3.581 . 0 0 "[ . 1 . 2]" 1 270 1 14 GLU H 1 15 LEU H . . 3.360 2.737 2.606 2.931 . 0 0 "[ . 1 . 2]" 1 271 1 14 GLU H 1 15 LEU QB . . 4.810 4.489 4.348 4.649 . 0 0 "[ . 1 . 2]" 1 272 1 14 GLU HA 1 14 GLU HG2 . . 3.860 2.680 2.279 3.036 . 0 0 "[ . 1 . 2]" 1 273 1 14 GLU HA 1 14 GLU QG . . 3.080 2.590 2.237 2.914 . 0 0 "[ . 1 . 2]" 1 274 1 14 GLU HA 1 14 GLU HG3 . . 3.860 3.508 2.883 3.799 . 0 0 "[ . 1 . 2]" 1 275 1 14 GLU HA 1 17 LYS H . . 4.330 3.907 3.563 4.125 . 0 0 "[ . 1 . 2]" 1 276 1 14 GLU HA 1 17 LYS QB . . 4.160 3.242 2.592 3.913 . 0 0 "[ . 1 . 2]" 1 277 1 14 GLU HA 1 17 LYS QD . . 4.640 3.571 2.294 4.614 . 0 0 "[ . 1 . 2]" 1 278 1 14 GLU HB2 1 15 LEU H . . 3.590 2.797 2.421 3.041 . 0 0 "[ . 1 . 2]" 1 279 1 14 GLU HB2 1 81 VAL H . . 4.580 3.794 3.114 4.180 . 0 0 "[ . 1 . 2]" 1 280 1 14 GLU HB2 1 81 VAL HB . . 4.160 3.574 3.120 4.186 0.026 19 0 "[ . 1 . 2]" 1 281 1 14 GLU HB2 1 81 VAL MG1 . . 4.500 3.482 1.816 4.502 0.002 2 0 "[ . 1 . 2]" 1 282 1 14 GLU HB2 1 81 VAL QG . . 3.930 3.166 1.815 3.934 0.004 2 0 "[ . 1 . 2]" 1 283 1 14 GLU HB2 1 81 VAL MG2 . . 4.500 4.338 4.209 4.501 0.001 4 0 "[ . 1 . 2]" 1 284 1 14 GLU HB3 1 15 LEU H . . 4.110 3.713 3.243 3.941 . 0 0 "[ . 1 . 2]" 1 285 1 14 GLU HB3 1 81 VAL QG . . 4.450 3.319 1.938 4.275 . 0 0 "[ . 1 . 2]" 1 286 1 14 GLU QG 1 15 LEU H . . 4.640 4.150 3.976 4.367 . 0 0 "[ . 1 . 2]" 1 287 1 15 LEU H 1 15 LEU QB . . 2.800 2.224 2.160 2.291 . 0 0 "[ . 1 . 2]" 1 288 1 15 LEU H 1 15 LEU MD1 . . 4.710 4.197 3.847 4.406 . 0 0 "[ . 1 . 2]" 1 289 1 15 LEU H 1 15 LEU QD . . 4.020 3.595 3.422 3.741 . 0 0 "[ . 1 . 2]" 1 290 1 15 LEU H 1 15 LEU MD2 . . 4.710 3.964 3.589 4.297 . 0 0 "[ . 1 . 2]" 1 291 1 15 LEU H 1 15 LEU HG . . 4.590 4.524 4.456 4.627 0.037 10 0 "[ . 1 . 2]" 1 292 1 15 LEU H 1 16 GLU H . . 3.330 2.519 2.262 2.720 . 0 0 "[ . 1 . 2]" 1 293 1 15 LEU H 1 16 GLU QB . . 4.610 4.282 4.050 4.515 . 0 0 "[ . 1 . 2]" 1 294 1 15 LEU H 1 17 LYS H . . 4.510 3.897 3.675 4.179 . 0 0 "[ . 1 . 2]" 1 295 1 15 LEU H 1 18 LEU MD1 . . 5.130 4.423 3.958 4.782 . 0 0 "[ . 1 . 2]" 1 296 1 15 LEU H 1 81 VAL MG1 . . 4.760 3.699 2.507 4.533 . 0 0 "[ . 1 . 2]" 1 297 1 15 LEU H 1 81 VAL QG . . 4.150 3.475 2.484 4.133 . 0 0 "[ . 1 . 2]" 1 298 1 15 LEU H 1 81 VAL MG2 . . 4.760 4.499 4.064 4.776 0.016 15 0 "[ . 1 . 2]" 1 299 1 15 LEU HA 1 15 LEU MD1 . . 3.820 3.066 2.041 3.783 . 0 0 "[ . 1 . 2]" 1 300 1 15 LEU HA 1 15 LEU QD . . 3.280 2.763 2.033 3.198 . 0 0 "[ . 1 . 2]" 1 301 1 15 LEU HA 1 15 LEU MD2 . . 3.820 3.497 2.165 3.921 0.101 20 0 "[ . 1 . 2]" 1 302 1 15 LEU HA 1 15 LEU HG . . 3.980 2.815 2.548 3.782 . 0 0 "[ . 1 . 2]" 1 303 1 15 LEU HA 1 18 LEU H . . 3.900 3.313 3.019 3.569 . 0 0 "[ . 1 . 2]" 1 304 1 15 LEU HA 1 18 LEU HB2 . . 4.460 3.200 2.599 3.577 . 0 0 "[ . 1 . 2]" 1 305 1 15 LEU HA 1 18 LEU MD1 . . 3.290 2.098 1.883 2.363 . 0 0 "[ . 1 . 2]" 1 306 1 15 LEU HA 1 18 LEU HG . . 3.390 2.872 2.574 3.363 . 0 0 "[ . 1 . 2]" 1 307 1 15 LEU HA 1 23 ALA MB . . 4.830 4.453 3.865 4.810 . 0 0 "[ . 1 . 2]" 1 308 1 15 LEU HA 1 81 VAL MG1 . . 4.590 2.772 2.476 3.007 . 0 0 "[ . 1 . 2]" 1 309 1 15 LEU HA 1 81 VAL QG . . 3.690 2.695 2.285 2.969 . 0 0 "[ . 1 . 2]" 1 310 1 15 LEU HA 1 81 VAL MG2 . . 4.590 4.015 2.681 4.608 0.018 15 0 "[ . 1 . 2]" 1 311 1 15 LEU QB 1 16 GLU H . . 3.190 2.460 2.141 2.820 . 0 0 "[ . 1 . 2]" 1 312 1 15 LEU QB 1 16 GLU HA . . 4.330 4.110 3.813 4.335 0.005 3 0 "[ . 1 . 2]" 1 313 1 15 LEU QB 1 16 GLU QG . . 4.730 3.880 3.400 4.732 0.002 6 0 "[ . 1 . 2]" 1 314 1 15 LEU QB 1 23 ALA MB . . 4.630 4.166 3.568 4.505 . 0 0 "[ . 1 . 2]" 1 315 1 15 LEU QB 1 81 VAL MG1 . . 3.340 2.578 2.014 3.312 . 0 0 "[ . 1 . 2]" 1 316 1 15 LEU QB 1 81 VAL MG2 . . 3.340 2.873 2.195 3.327 . 0 0 "[ . 1 . 2]" 1 317 1 15 LEU QD 1 16 GLU H . . 4.720 3.010 2.195 4.205 . 0 0 "[ . 1 . 2]" 1 318 1 15 LEU QD 1 23 ALA H . . 5.050 4.356 3.657 4.805 . 0 0 "[ . 1 . 2]" 1 319 1 15 LEU QD 1 23 ALA MB . . 3.140 2.137 1.754 2.891 . 0 0 "[ . 1 . 2]" 1 320 1 15 LEU MD1 1 23 ALA HA . . 3.710 2.802 1.954 3.343 . 0 0 "[ . 1 . 2]" 1 321 1 15 LEU MD1 1 23 ALA MB . . 3.660 3.229 1.816 3.589 . 0 0 "[ . 1 . 2]" 1 322 1 15 LEU MD2 1 23 ALA HA . . 3.710 3.044 2.742 3.563 . 0 0 "[ . 1 . 2]" 1 323 1 15 LEU MD2 1 23 ALA MB . . 3.660 2.362 1.760 3.663 0.003 2 0 "[ . 1 . 2]" 1 324 1 16 GLU H 1 16 GLU QB . . 2.890 2.247 2.174 2.350 . 0 0 "[ . 1 . 2]" 1 325 1 16 GLU H 1 16 GLU HG2 . . 3.960 3.187 2.451 3.829 . 0 0 "[ . 1 . 2]" 1 326 1 16 GLU H 1 16 GLU QG . . 3.350 2.653 2.416 2.845 . 0 0 "[ . 1 . 2]" 1 327 1 16 GLU H 1 16 GLU HG3 . . 3.960 3.241 2.444 3.937 . 0 0 "[ . 1 . 2]" 1 328 1 16 GLU H 1 17 LYS H . . 3.210 2.761 2.548 2.875 . 0 0 "[ . 1 . 2]" 1 329 1 16 GLU H 1 18 LEU H . . 4.720 4.245 3.979 4.401 . 0 0 "[ . 1 . 2]" 1 330 1 16 GLU HA 1 16 GLU HG2 . . 3.900 2.657 2.175 3.848 . 0 0 "[ . 1 . 2]" 1 331 1 16 GLU HA 1 16 GLU QG . . 3.390 2.507 2.136 3.300 . 0 0 "[ . 1 . 2]" 1 332 1 16 GLU HA 1 16 GLU HG3 . . 3.900 3.298 2.627 3.703 . 0 0 "[ . 1 . 2]" 1 333 1 16 GLU HA 1 18 LEU H . . 4.400 4.199 3.883 4.383 . 0 0 "[ . 1 . 2]" 1 334 1 16 GLU QB 1 17 LYS H . . 3.920 2.893 2.625 3.494 . 0 0 "[ . 1 . 2]" 1 335 1 17 LYS H 1 17 LYS HB2 . . 3.730 2.732 2.180 3.597 . 0 0 "[ . 1 . 2]" 1 336 1 17 LYS H 1 17 LYS QB . . 2.930 2.246 2.153 2.411 . 0 0 "[ . 1 . 2]" 1 337 1 17 LYS H 1 17 LYS HB3 . . 3.730 3.044 2.190 3.568 . 0 0 "[ . 1 . 2]" 1 338 1 17 LYS H 1 17 LYS QD . . 4.630 4.008 3.355 4.575 . 0 0 "[ . 1 . 2]" 1 339 1 17 LYS H 1 17 LYS HG2 . . 4.420 3.728 3.344 4.208 . 0 0 "[ . 1 . 2]" 1 340 1 17 LYS H 1 17 LYS QG . . 3.580 2.758 2.311 3.667 0.087 9 0 "[ . 1 . 2]" 1 341 1 17 LYS H 1 17 LYS HG3 . . 4.420 2.889 2.356 4.374 . 0 0 "[ . 1 . 2]" 1 342 1 17 LYS HA 1 17 LYS QD . . 3.970 3.797 3.491 3.980 0.010 5 0 "[ . 1 . 2]" 1 343 1 17 LYS HA 1 17 LYS HG2 . . 4.250 3.129 2.163 4.238 . 0 0 "[ . 1 . 2]" 1 344 1 17 LYS HA 1 17 LYS QG . . 3.450 2.658 2.126 3.440 . 0 0 "[ . 1 . 2]" 1 345 1 17 LYS HA 1 17 LYS HG3 . . 4.250 3.065 2.379 3.640 . 0 0 "[ . 1 . 2]" 1 346 1 17 LYS QB 1 18 LEU H . . 3.630 2.987 2.595 3.628 . 0 0 "[ . 1 . 2]" 1 347 1 17 LYS HB2 1 18 LEU H . . 4.370 3.344 2.672 4.284 . 0 0 "[ . 1 . 2]" 1 348 1 17 LYS HB3 1 18 LEU H . . 4.370 3.535 3.151 3.998 . 0 0 "[ . 1 . 2]" 1 349 1 17 LYS QD 1 18 LEU H . . 5.100 4.342 2.687 5.072 . 0 0 "[ . 1 . 2]" 1 350 1 17 LYS QG 1 18 LEU H . . 4.830 3.572 1.951 4.413 . 0 0 "[ . 1 . 2]" 1 351 1 18 LEU H 1 18 LEU HB2 . . 3.020 2.428 2.257 2.596 . 0 0 "[ . 1 . 2]" 1 352 1 18 LEU H 1 18 LEU HB3 . . 3.690 3.575 3.536 3.589 . 0 0 "[ . 1 . 2]" 1 353 1 18 LEU H 1 18 LEU MD1 . . 3.750 3.478 3.342 3.752 0.002 11 0 "[ . 1 . 2]" 1 354 1 18 LEU H 1 18 LEU MD2 . . 3.770 3.603 3.366 3.772 0.002 9 0 "[ . 1 . 2]" 1 355 1 18 LEU H 1 18 LEU HG . . 2.960 2.358 2.036 2.755 . 0 0 "[ . 1 . 2]" 1 356 1 18 LEU H 1 19 ASP H . . 4.620 4.608 4.576 4.632 0.012 9 0 "[ . 1 . 2]" 1 357 1 18 LEU H 1 23 ALA MB . . 4.990 4.480 4.058 4.758 . 0 0 "[ . 1 . 2]" 1 358 1 18 LEU HA 1 18 LEU MD1 . . 4.160 3.887 3.833 3.939 . 0 0 "[ . 1 . 2]" 1 359 1 18 LEU HA 1 18 LEU MD2 . . 2.860 2.184 1.985 2.396 . 0 0 "[ . 1 . 2]" 1 360 1 18 LEU HA 1 18 LEU HG . . 3.660 2.910 2.798 3.081 . 0 0 "[ . 1 . 2]" 1 361 1 18 LEU HA 1 19 ASP H . . 2.950 2.501 2.414 2.575 . 0 0 "[ . 1 . 2]" 1 362 1 18 LEU HB2 1 18 LEU MD1 . . 3.110 2.158 2.070 2.350 . 0 0 "[ . 1 . 2]" 1 363 1 18 LEU HB2 1 19 ASP H . . 3.810 3.497 3.283 3.754 . 0 0 "[ . 1 . 2]" 1 364 1 18 LEU HB2 1 22 VAL MG1 . . 4.300 3.694 3.066 4.227 . 0 0 "[ . 1 . 2]" 1 365 1 18 LEU HB3 1 18 LEU MD1 . . 3.180 2.500 2.317 2.593 . 0 0 "[ . 1 . 2]" 1 366 1 18 LEU HB3 1 18 LEU MD2 . . 3.070 2.245 2.116 2.346 . 0 0 "[ . 1 . 2]" 1 367 1 18 LEU HB3 1 19 ASP H . . 3.540 2.201 2.055 2.394 . 0 0 "[ . 1 . 2]" 1 368 1 18 LEU HB3 1 22 VAL HB . . 3.840 2.964 2.636 3.332 . 0 0 "[ . 1 . 2]" 1 369 1 18 LEU HB3 1 22 VAL MG1 . . 3.600 2.901 2.422 3.314 . 0 0 "[ . 1 . 2]" 1 370 1 18 LEU MD1 1 19 ASP H . . 4.470 4.325 4.182 4.452 . 0 0 "[ . 1 . 2]" 1 371 1 18 LEU MD1 1 22 VAL MG1 . . 3.110 2.677 2.098 3.080 . 0 0 "[ . 1 . 2]" 1 372 1 18 LEU MD1 1 23 ALA HA . . 3.950 3.772 3.298 3.952 0.002 8 0 "[ . 1 . 2]" 1 373 1 18 LEU MD1 1 23 ALA MB . . 4.080 3.901 3.209 4.077 . 0 0 "[ . 1 . 2]" 1 374 1 18 LEU MD1 1 26 ILE MD . . 3.480 2.543 2.128 2.778 . 0 0 "[ . 1 . 2]" 1 375 1 18 LEU MD1 1 63 TYR QD . . 4.330 2.807 2.550 3.248 . 0 0 "[ . 1 . 2]" 1 376 1 18 LEU MD1 1 63 TYR QE . . 4.090 3.153 2.787 3.733 . 0 0 "[ . 1 . 2]" 1 377 1 18 LEU MD1 1 81 VAL QG . . 3.210 2.109 1.882 2.423 . 0 0 "[ . 1 . 2]" 1 378 1 18 LEU MD2 1 19 ASP H . . 3.720 3.052 2.712 3.474 . 0 0 "[ . 1 . 2]" 1 379 1 18 LEU MD2 1 22 VAL MG1 . . 3.520 3.307 2.847 3.523 0.003 4 0 "[ . 1 . 2]" 1 380 1 18 LEU MD2 1 63 TYR QD . . 3.270 3.115 2.806 3.272 0.002 4 0 "[ . 1 . 2]" 1 381 1 18 LEU MD2 1 63 TYR QE . . 3.400 2.171 1.974 2.405 . 0 0 "[ . 1 . 2]" 1 382 1 19 ASP H 1 19 ASP HB2 . . 3.280 2.288 2.181 2.601 . 0 0 "[ . 1 . 2]" 1 383 1 19 ASP H 1 19 ASP HB3 . . 3.280 2.818 2.465 2.964 . 0 0 "[ . 1 . 2]" 1 384 1 19 ASP H 1 20 ARG H . . 5.120 4.602 4.476 4.649 . 0 0 "[ . 1 . 2]" 1 385 1 19 ASP H 1 22 VAL MG2 . . 3.910 3.301 2.877 3.810 . 0 0 "[ . 1 . 2]" 1 386 1 19 ASP HA 1 20 ARG H . . 2.890 2.270 2.139 2.421 . 0 0 "[ . 1 . 2]" 1 387 1 19 ASP HA 1 20 ARG HA . . 4.540 4.321 4.300 4.379 . 0 0 "[ . 1 . 2]" 1 388 1 19 ASP HA 1 20 ARG QB . . 4.820 4.301 4.043 4.585 . 0 0 "[ . 1 . 2]" 1 389 1 19 ASP HA 1 21 GLU H . . 4.740 4.382 3.859 4.720 . 0 0 "[ . 1 . 2]" 1 390 1 19 ASP HA 1 22 VAL HB . . 5.500 4.615 4.315 4.808 . 0 0 "[ . 1 . 2]" 1 391 1 19 ASP QB 1 20 ARG H . . 3.990 3.438 3.061 3.832 . 0 0 "[ . 1 . 2]" 1 392 1 19 ASP QB 1 21 GLU H . . 4.140 3.506 2.943 3.939 . 0 0 "[ . 1 . 2]" 1 393 1 19 ASP QB 1 22 VAL H . . 3.530 2.310 2.085 2.628 . 0 0 "[ . 1 . 2]" 1 394 1 19 ASP QB 1 22 VAL HB . . 3.360 2.521 2.177 2.873 . 0 0 "[ . 1 . 2]" 1 395 1 19 ASP QB 1 22 VAL MG1 . . 4.530 3.771 3.547 4.002 . 0 0 "[ . 1 . 2]" 1 396 1 19 ASP QB 1 22 VAL MG2 . . 3.010 1.964 1.788 2.131 . 0 0 "[ . 1 . 2]" 1 397 1 19 ASP HB2 1 20 ARG H . . 4.540 4.149 3.698 4.437 . 0 0 "[ . 1 . 2]" 1 398 1 19 ASP HB2 1 22 VAL H . . 4.210 4.052 3.840 4.202 . 0 0 "[ . 1 . 2]" 1 399 1 19 ASP HB2 1 22 VAL HB . . 4.030 3.726 3.332 4.033 0.003 14 0 "[ . 1 . 2]" 1 400 1 19 ASP HB2 1 22 VAL MG2 . . 3.580 2.782 2.425 3.169 . 0 0 "[ . 1 . 2]" 1 401 1 19 ASP HB3 1 20 ARG H . . 4.540 3.681 3.186 4.213 . 0 0 "[ . 1 . 2]" 1 402 1 19 ASP HB3 1 22 VAL H . . 4.210 2.324 2.094 2.655 . 0 0 "[ . 1 . 2]" 1 403 1 19 ASP HB3 1 22 VAL HB . . 4.030 2.567 2.193 2.948 . 0 0 "[ . 1 . 2]" 1 404 1 19 ASP HB3 1 22 VAL MG2 . . 3.580 2.012 1.830 2.204 . 0 0 "[ . 1 . 2]" 1 405 1 20 ARG H 1 20 ARG HB2 . . 3.840 2.405 2.161 2.703 . 0 0 "[ . 1 . 2]" 1 406 1 20 ARG H 1 20 ARG QB . . 3.130 2.285 2.117 2.522 . 0 0 "[ . 1 . 2]" 1 407 1 20 ARG H 1 20 ARG HB3 . . 3.840 3.243 2.369 3.619 . 0 0 "[ . 1 . 2]" 1 408 1 20 ARG H 1 20 ARG QG . . 3.950 3.068 2.004 4.002 0.052 20 0 "[ . 1 . 2]" 1 409 1 20 ARG H 1 21 GLU H . . 3.890 2.819 2.478 3.140 . 0 0 "[ . 1 . 2]" 1 410 1 20 ARG H 1 23 ALA H . . 5.500 4.801 4.633 4.950 . 0 0 "[ . 1 . 2]" 1 411 1 20 ARG HA 1 20 ARG QD . . 4.050 2.945 2.059 4.028 . 0 0 "[ . 1 . 2]" 1 412 1 20 ARG HA 1 20 ARG HG2 . . 3.970 3.044 2.181 3.884 . 0 0 "[ . 1 . 2]" 1 413 1 20 ARG HA 1 20 ARG HG3 . . 3.970 3.043 2.236 3.812 . 0 0 "[ . 1 . 2]" 1 414 1 20 ARG HA 1 22 VAL H . . 4.820 4.567 4.129 4.778 . 0 0 "[ . 1 . 2]" 1 415 1 20 ARG HA 1 23 ALA H . . 3.870 3.742 3.380 3.871 0.001 5 0 "[ . 1 . 2]" 1 416 1 20 ARG HA 1 23 ALA MB . . 3.080 2.826 2.584 3.046 . 0 0 "[ . 1 . 2]" 1 417 1 20 ARG HA 1 24 ARG H . . 4.450 4.168 3.737 4.384 . 0 0 "[ . 1 . 2]" 1 418 1 20 ARG HB2 1 21 GLU H . . 3.810 2.963 2.248 3.813 0.003 4 0 "[ . 1 . 2]" 1 419 1 20 ARG HB3 1 21 GLU H . . 3.810 3.001 2.184 3.810 0.000 17 0 "[ . 1 . 2]" 1 420 1 21 GLU H 1 21 GLU QB . . 2.920 2.255 2.131 2.546 . 0 0 "[ . 1 . 2]" 1 421 1 21 GLU H 1 21 GLU QG . . 3.900 3.228 1.979 3.932 0.032 5 0 "[ . 1 . 2]" 1 422 1 21 GLU H 1 22 VAL H . . 3.130 2.746 2.427 2.942 . 0 0 "[ . 1 . 2]" 1 423 1 21 GLU H 1 22 VAL MG2 . . 4.500 4.242 4.032 4.498 . 0 0 "[ . 1 . 2]" 1 424 1 21 GLU H 1 23 ALA H . . 4.550 4.387 4.128 4.542 . 0 0 "[ . 1 . 2]" 1 425 1 21 GLU HA 1 21 GLU QG . . 3.540 2.387 2.148 2.856 . 0 0 "[ . 1 . 2]" 1 426 1 21 GLU HA 1 24 ARG H . . 4.050 3.803 3.662 3.971 . 0 0 "[ . 1 . 2]" 1 427 1 21 GLU HA 1 24 ARG QB . . 3.700 3.097 2.749 3.706 0.006 20 0 "[ . 1 . 2]" 1 428 1 21 GLU HA 1 24 ARG QD . . 3.990 3.271 2.067 3.869 . 0 0 "[ . 1 . 2]" 1 429 1 21 GLU HA 1 25 ARG H . . 4.560 4.171 3.787 4.455 . 0 0 "[ . 1 . 2]" 1 430 1 21 GLU QB 1 22 VAL H . . 2.980 2.509 2.274 2.812 . 0 0 "[ . 1 . 2]" 1 431 1 21 GLU QB 1 22 VAL HA . . 4.640 3.915 3.793 4.374 . 0 0 "[ . 1 . 2]" 1 432 1 21 GLU QB 1 22 VAL MG2 . . 4.130 3.135 2.926 3.517 . 0 0 "[ . 1 . 2]" 1 433 1 21 GLU QG 1 22 VAL H . . 4.540 4.030 3.349 4.474 . 0 0 "[ . 1 . 2]" 1 434 1 21 GLU QG 1 22 VAL MG2 . . 5.020 4.526 3.243 5.021 0.001 10 0 "[ . 1 . 2]" 1 435 1 21 GLU QG 1 24 ARG QD . . 4.620 4.178 2.874 4.613 . 0 0 "[ . 1 . 2]" 1 436 1 22 VAL H 1 22 VAL HB . . 3.220 2.514 2.342 2.628 . 0 0 "[ . 1 . 2]" 1 437 1 22 VAL H 1 22 VAL MG1 . . 3.990 3.755 3.712 3.767 . 0 0 "[ . 1 . 2]" 1 438 1 22 VAL H 1 22 VAL MG2 . . 3.090 2.160 1.897 2.505 . 0 0 "[ . 1 . 2]" 1 439 1 22 VAL H 1 23 ALA H . . 3.070 2.794 2.564 2.953 . 0 0 "[ . 1 . 2]" 1 440 1 22 VAL H 1 23 ALA MB . . 4.480 4.327 4.146 4.445 . 0 0 "[ . 1 . 2]" 1 441 1 22 VAL H 1 24 ARG H . . 4.540 4.350 4.069 4.541 0.001 9 0 "[ . 1 . 2]" 1 442 1 22 VAL H 1 25 ARG H . . 5.080 4.738 4.581 4.906 . 0 0 "[ . 1 . 2]" 1 443 1 22 VAL HA 1 22 VAL MG1 . . 3.170 2.419 2.301 2.504 . 0 0 "[ . 1 . 2]" 1 444 1 22 VAL HA 1 22 VAL MG2 . . 3.000 2.364 2.203 2.451 . 0 0 "[ . 1 . 2]" 1 445 1 22 VAL HA 1 24 ARG H . . 4.770 4.605 4.338 4.744 . 0 0 "[ . 1 . 2]" 1 446 1 22 VAL HA 1 25 ARG H . . 3.900 3.507 3.322 3.789 . 0 0 "[ . 1 . 2]" 1 447 1 22 VAL HA 1 25 ARG HB2 . . 3.890 3.625 3.265 3.896 0.006 20 0 "[ . 1 . 2]" 1 448 1 22 VAL HA 1 25 ARG HB3 . . 3.430 2.534 2.312 2.761 . 0 0 "[ . 1 . 2]" 1 449 1 22 VAL HA 1 25 ARG QD . . 4.160 3.465 2.802 4.170 0.010 14 0 "[ . 1 . 2]" 1 450 1 22 VAL HA 1 25 ARG QG . . 4.740 4.246 3.944 4.551 . 0 0 "[ . 1 . 2]" 1 451 1 22 VAL HA 1 26 ILE H . . 4.920 4.153 3.922 4.405 . 0 0 "[ . 1 . 2]" 1 452 1 22 VAL HB 1 23 ALA H . . 3.150 2.396 2.263 2.657 . 0 0 "[ . 1 . 2]" 1 453 1 22 VAL MG1 1 23 ALA H . . 3.700 3.199 2.897 3.562 . 0 0 "[ . 1 . 2]" 1 454 1 22 VAL MG1 1 23 ALA HA . . 4.140 3.345 3.025 3.644 . 0 0 "[ . 1 . 2]" 1 455 1 22 VAL MG1 1 26 ILE HG13 . . 3.750 2.665 2.308 3.029 . 0 0 "[ . 1 . 2]" 1 456 1 22 VAL MG1 1 63 TYR HB3 . . 5.130 4.106 3.698 4.717 . 0 0 "[ . 1 . 2]" 1 457 1 22 VAL MG1 1 63 TYR QD . . 4.200 3.088 2.759 3.428 . 0 0 "[ . 1 . 2]" 1 458 1 22 VAL MG1 1 63 TYR QE . . 3.620 2.667 2.394 3.087 . 0 0 "[ . 1 . 2]" 1 459 1 22 VAL MG2 1 23 ALA H . . 4.400 3.786 3.685 3.927 . 0 0 "[ . 1 . 2]" 1 460 1 22 VAL MG2 1 63 TYR QE . . 3.770 2.948 2.514 3.444 . 0 0 "[ . 1 . 2]" 1 461 1 23 ALA H 1 23 ALA MB . . 2.860 2.115 2.024 2.222 . 0 0 "[ . 1 . 2]" 1 462 1 23 ALA H 1 24 ARG H . . 3.290 2.911 2.683 3.071 . 0 0 "[ . 1 . 2]" 1 463 1 23 ALA H 1 24 ARG QB . . 5.330 4.703 4.455 4.936 . 0 0 "[ . 1 . 2]" 1 464 1 23 ALA H 1 25 ARG H . . 4.680 4.254 4.003 4.405 . 0 0 "[ . 1 . 2]" 1 465 1 23 ALA H 1 25 ARG HB3 . . 5.500 5.018 4.845 5.169 . 0 0 "[ . 1 . 2]" 1 466 1 23 ALA HA 1 25 ARG H . . 4.710 4.559 4.289 4.718 0.008 20 0 "[ . 1 . 2]" 1 467 1 23 ALA HA 1 26 ILE HB . . 3.360 3.053 2.796 3.262 . 0 0 "[ . 1 . 2]" 1 468 1 23 ALA HA 1 26 ILE MD . . 3.490 2.593 2.184 2.933 . 0 0 "[ . 1 . 2]" 1 469 1 23 ALA HA 1 26 ILE HG13 . . 4.120 3.794 3.180 4.087 . 0 0 "[ . 1 . 2]" 1 470 1 23 ALA HA 1 26 ILE MG . . 4.710 4.317 4.054 4.542 . 0 0 "[ . 1 . 2]" 1 471 1 23 ALA HA 1 27 LEU H . . 4.630 4.173 3.991 4.350 . 0 0 "[ . 1 . 2]" 1 472 1 23 ALA MB 1 24 ARG H . . 3.220 2.448 2.253 2.693 . 0 0 "[ . 1 . 2]" 1 473 1 23 ALA MB 1 24 ARG HA . . 4.320 3.705 3.631 3.795 . 0 0 "[ . 1 . 2]" 1 474 1 23 ALA MB 1 24 ARG HB2 . . 5.230 4.267 3.872 5.147 . 0 0 "[ . 1 . 2]" 1 475 1 23 ALA MB 1 24 ARG QB . . 4.530 3.890 3.669 4.168 . 0 0 "[ . 1 . 2]" 1 476 1 23 ALA MB 1 24 ARG HB3 . . 5.230 4.702 3.844 5.231 0.001 13 0 "[ . 1 . 2]" 1 477 1 23 ALA MB 1 26 ILE MD . . 4.070 3.867 3.590 4.071 0.001 11 0 "[ . 1 . 2]" 1 478 1 23 ALA MB 1 27 LEU MD1 . . 3.910 3.331 2.901 3.632 . 0 0 "[ . 1 . 2]" 1 479 1 24 ARG H 1 24 ARG HB2 . . 3.550 2.600 2.196 3.587 0.037 6 0 "[ . 1 . 2]" 1 480 1 24 ARG H 1 24 ARG QB . . 2.780 2.260 2.174 2.429 . 0 0 "[ . 1 . 2]" 1 481 1 24 ARG H 1 24 ARG HB3 . . 3.550 2.891 2.207 3.575 0.025 2 0 "[ . 1 . 2]" 1 482 1 24 ARG H 1 24 ARG QD . . 4.460 3.986 2.538 4.462 0.002 8 0 "[ . 1 . 2]" 1 483 1 24 ARG H 1 24 ARG HG2 . . 4.640 3.896 2.224 4.455 . 0 0 "[ . 1 . 2]" 1 484 1 24 ARG H 1 24 ARG QG . . 3.970 3.223 2.199 3.977 0.007 15 0 "[ . 1 . 2]" 1 485 1 24 ARG H 1 24 ARG HG3 . . 4.640 3.671 2.366 4.577 . 0 0 "[ . 1 . 2]" 1 486 1 24 ARG H 1 25 ARG H . . 3.380 2.723 2.601 2.791 . 0 0 "[ . 1 . 2]" 1 487 1 24 ARG H 1 26 ILE H . . 4.400 4.232 4.138 4.377 . 0 0 "[ . 1 . 2]" 1 488 1 24 ARG HA 1 24 ARG QD . . 4.320 4.098 3.554 4.383 0.063 20 0 "[ . 1 . 2]" 1 489 1 24 ARG HA 1 24 ARG HG2 . . 4.050 2.946 2.332 3.857 . 0 0 "[ . 1 . 2]" 1 490 1 24 ARG HA 1 24 ARG QG . . 3.400 2.559 2.177 3.343 . 0 0 "[ . 1 . 2]" 1 491 1 24 ARG HA 1 24 ARG HG3 . . 4.050 2.894 2.198 3.748 . 0 0 "[ . 1 . 2]" 1 492 1 24 ARG HA 1 27 LEU H . . 3.920 3.791 3.681 3.884 . 0 0 "[ . 1 . 2]" 1 493 1 24 ARG HA 1 27 LEU HB2 . . 3.690 2.964 2.819 3.108 . 0 0 "[ . 1 . 2]" 1 494 1 24 ARG HA 1 27 LEU HB3 . . 4.890 4.592 4.423 4.787 . 0 0 "[ . 1 . 2]" 1 495 1 24 ARG HA 1 27 LEU MD1 . . 3.520 2.948 2.517 3.441 . 0 0 "[ . 1 . 2]" 1 496 1 24 ARG HA 1 28 ARG H . . 4.140 3.870 3.736 4.062 . 0 0 "[ . 1 . 2]" 1 497 1 24 ARG QB 1 24 ARG QD . . 3.150 2.101 2.002 2.184 . 0 0 "[ . 1 . 2]" 1 498 1 24 ARG QB 1 25 ARG H . . 3.240 2.676 2.443 3.291 0.051 20 0 "[ . 1 . 2]" 1 499 1 24 ARG QD 1 25 ARG H . . 5.040 4.285 3.643 4.802 . 0 0 "[ . 1 . 2]" 1 500 1 24 ARG QG 1 25 ARG H . . 4.890 3.630 1.846 4.525 . 0 0 "[ . 1 . 2]" 1 501 1 25 ARG H 1 25 ARG HB2 . . 3.120 2.707 2.611 2.867 . 0 0 "[ . 1 . 2]" 1 502 1 25 ARG H 1 25 ARG HB3 . . 3.390 2.354 2.225 2.441 . 0 0 "[ . 1 . 2]" 1 503 1 25 ARG H 1 25 ARG QD . . 5.340 4.535 4.350 4.706 . 0 0 "[ . 1 . 2]" 1 504 1 25 ARG H 1 25 ARG QG . . 4.420 3.928 3.847 3.964 . 0 0 "[ . 1 . 2]" 1 505 1 25 ARG H 1 26 ILE H . . 3.250 2.752 2.634 2.875 . 0 0 "[ . 1 . 2]" 1 506 1 25 ARG H 1 27 LEU H . . 4.790 4.676 4.511 4.792 0.002 16 0 "[ . 1 . 2]" 1 507 1 25 ARG HA 1 25 ARG HG2 . . 3.540 3.426 3.090 3.553 0.013 14 0 "[ . 1 . 2]" 1 508 1 25 ARG HA 1 25 ARG QG . . 3.080 2.586 2.506 2.714 . 0 0 "[ . 1 . 2]" 1 509 1 25 ARG HA 1 25 ARG HG3 . . 3.540 2.685 2.564 2.846 . 0 0 "[ . 1 . 2]" 1 510 1 25 ARG HA 1 29 PHE H . . 4.480 4.039 3.781 4.278 . 0 0 "[ . 1 . 2]" 1 511 1 25 ARG HB2 1 25 ARG QD . . 3.640 2.558 2.122 2.921 . 0 0 "[ . 1 . 2]" 1 512 1 25 ARG HB2 1 26 ILE H . . 4.240 3.992 3.887 4.120 . 0 0 "[ . 1 . 2]" 1 513 1 25 ARG HB3 1 60 VAL MG1 . . 4.490 4.032 3.671 4.395 . 0 0 "[ . 1 . 2]" 1 514 1 25 ARG QD 1 60 VAL MG1 . . 3.540 2.761 2.109 3.501 . 0 0 "[ . 1 . 2]" 1 515 1 25 ARG QG 1 29 PHE H . . 5.150 4.198 4.049 4.346 . 0 0 "[ . 1 . 2]" 1 516 1 25 ARG QG 1 29 PHE HB2 . . 4.760 3.503 3.175 3.849 . 0 0 "[ . 1 . 2]" 1 517 1 25 ARG QG 1 29 PHE HB3 . . 4.870 4.072 3.692 4.379 . 0 0 "[ . 1 . 2]" 1 518 1 25 ARG QG 1 60 VAL MG1 . . 3.320 2.392 2.136 2.624 . 0 0 "[ . 1 . 2]" 1 519 1 25 ARG HG2 1 60 VAL MG1 . . 3.950 2.436 2.165 2.693 . 0 0 "[ . 1 . 2]" 1 520 1 25 ARG HG3 1 60 VAL MG1 . . 3.950 3.508 3.205 3.950 0.000 1 0 "[ . 1 . 2]" 1 521 1 26 ILE H 1 26 ILE HB . . 2.900 2.449 2.357 2.565 . 0 0 "[ . 1 . 2]" 1 522 1 26 ILE H 1 26 ILE MD . . 3.830 3.492 3.353 3.646 . 0 0 "[ . 1 . 2]" 1 523 1 26 ILE H 1 26 ILE HG12 . . 3.870 3.613 3.326 3.820 . 0 0 "[ . 1 . 2]" 1 524 1 26 ILE H 1 26 ILE HG13 . . 3.220 2.277 2.024 2.469 . 0 0 "[ . 1 . 2]" 1 525 1 26 ILE H 1 26 ILE MG . . 3.810 3.745 3.718 3.766 . 0 0 "[ . 1 . 2]" 1 526 1 26 ILE H 1 27 LEU H . . 3.310 2.889 2.786 2.992 . 0 0 "[ . 1 . 2]" 1 527 1 26 ILE H 1 60 VAL MG1 . . 4.790 4.227 3.973 4.491 . 0 0 "[ . 1 . 2]" 1 528 1 26 ILE HA 1 26 ILE MD . . 4.100 3.827 3.790 3.878 . 0 0 "[ . 1 . 2]" 1 529 1 26 ILE HA 1 26 ILE HG12 . . 3.330 2.561 2.452 2.656 . 0 0 "[ . 1 . 2]" 1 530 1 26 ILE HA 1 26 ILE HG13 . . 3.520 2.817 2.668 3.025 . 0 0 "[ . 1 . 2]" 1 531 1 26 ILE HA 1 26 ILE MG . . 3.220 2.438 2.346 2.507 . 0 0 "[ . 1 . 2]" 1 532 1 26 ILE HA 1 29 PHE H . . 3.850 3.530 3.350 3.776 . 0 0 "[ . 1 . 2]" 1 533 1 26 ILE HA 1 29 PHE HB2 . . 3.960 3.718 3.562 3.848 . 0 0 "[ . 1 . 2]" 1 534 1 26 ILE HA 1 29 PHE HB3 . . 3.580 2.610 2.456 2.754 . 0 0 "[ . 1 . 2]" 1 535 1 26 ILE HA 1 29 PHE QD . . 4.560 3.802 3.455 4.061 . 0 0 "[ . 1 . 2]" 1 536 1 26 ILE HA 1 60 VAL MG1 . . 3.450 2.947 2.638 3.209 . 0 0 "[ . 1 . 2]" 1 537 1 26 ILE HA 1 60 VAL MG2 . . 3.600 2.928 2.657 3.190 . 0 0 "[ . 1 . 2]" 1 538 1 26 ILE HA 1 65 LEU MD1 . . 4.310 3.389 3.023 3.697 . 0 0 "[ . 1 . 2]" 1 539 1 26 ILE HB 1 26 ILE MD . . 3.220 2.373 2.207 2.501 . 0 0 "[ . 1 . 2]" 1 540 1 26 ILE HB 1 27 LEU H . . 3.560 2.212 2.072 2.320 . 0 0 "[ . 1 . 2]" 1 541 1 26 ILE MD 1 26 ILE MG . . 2.690 2.040 1.898 2.221 . 0 0 "[ . 1 . 2]" 1 542 1 26 ILE MD 1 27 LEU H . . 4.860 4.215 4.067 4.388 . 0 0 "[ . 1 . 2]" 1 543 1 26 ILE MD 1 60 VAL HB . . 4.570 4.314 3.989 4.570 0.000 16 0 "[ . 1 . 2]" 1 544 1 26 ILE MD 1 63 TYR HB2 . . 3.810 3.604 3.299 3.812 0.002 18 0 "[ . 1 . 2]" 1 545 1 26 ILE MD 1 63 TYR HB3 . . 3.750 3.225 2.953 3.508 . 0 0 "[ . 1 . 2]" 1 546 1 26 ILE MD 1 63 TYR QD . . 4.050 3.422 3.121 3.797 . 0 0 "[ . 1 . 2]" 1 547 1 26 ILE MD 1 81 VAL MG1 . . 4.430 3.093 2.237 4.432 0.002 5 0 "[ . 1 . 2]" 1 548 1 26 ILE MD 1 81 VAL QG . . 3.030 2.456 2.218 2.712 . 0 0 "[ . 1 . 2]" 1 549 1 26 ILE MD 1 81 VAL MG2 . . 4.430 3.336 2.249 4.168 . 0 0 "[ . 1 . 2]" 1 550 1 26 ILE HG12 1 26 ILE MG . . 3.020 2.307 2.169 2.392 . 0 0 "[ . 1 . 2]" 1 551 1 26 ILE HG12 1 60 VAL HB . . 4.000 3.448 3.048 3.596 . 0 0 "[ . 1 . 2]" 1 552 1 26 ILE HG12 1 60 VAL MG2 . . 3.650 3.101 2.488 3.496 . 0 0 "[ . 1 . 2]" 1 553 1 26 ILE HG12 1 65 LEU MD1 . . 4.010 2.629 1.989 3.531 . 0 0 "[ . 1 . 2]" 1 554 1 26 ILE HG13 1 26 ILE MG . . 3.230 3.188 3.176 3.203 . 0 0 "[ . 1 . 2]" 1 555 1 26 ILE HG13 1 60 VAL MG1 . . 3.600 3.254 2.760 3.588 . 0 0 "[ . 1 . 2]" 1 556 1 26 ILE MG 1 27 LEU H . . 3.760 2.850 2.594 3.159 . 0 0 "[ . 1 . 2]" 1 557 1 26 ILE MG 1 27 LEU HA . . 4.040 3.128 2.924 3.420 . 0 0 "[ . 1 . 2]" 1 558 1 26 ILE MG 1 29 PHE H . . 4.890 4.562 4.270 4.768 . 0 0 "[ . 1 . 2]" 1 559 1 26 ILE MG 1 29 PHE HB2 . . 5.500 5.155 4.903 5.322 . 0 0 "[ . 1 . 2]" 1 560 1 26 ILE MG 1 29 PHE HB3 . . 4.330 3.762 3.510 3.960 . 0 0 "[ . 1 . 2]" 1 561 1 26 ILE MG 1 29 PHE QD . . 3.950 3.641 3.350 3.952 0.002 16 0 "[ . 1 . 2]" 1 562 1 26 ILE MG 1 60 VAL MG1 . . 4.390 4.003 3.633 4.395 0.005 19 0 "[ . 1 . 2]" 1 563 1 26 ILE MG 1 60 VAL MG2 . . 3.930 3.174 2.830 3.793 . 0 0 "[ . 1 . 2]" 1 564 1 27 LEU H 1 27 LEU HB2 . . 2.920 2.437 2.290 2.578 . 0 0 "[ . 1 . 2]" 1 565 1 27 LEU H 1 27 LEU HB3 . . 3.690 3.577 3.545 3.598 . 0 0 "[ . 1 . 2]" 1 566 1 27 LEU H 1 27 LEU MD1 . . 3.760 3.449 3.382 3.558 . 0 0 "[ . 1 . 2]" 1 567 1 27 LEU H 1 27 LEU MD2 . . 3.960 3.602 3.286 3.887 . 0 0 "[ . 1 . 2]" 1 568 1 27 LEU H 1 27 LEU HG . . 3.270 2.358 2.085 2.653 . 0 0 "[ . 1 . 2]" 1 569 1 27 LEU H 1 28 ARG H . . 3.390 2.899 2.704 3.074 . 0 0 "[ . 1 . 2]" 1 570 1 27 LEU H 1 29 PHE H . . 4.490 4.274 3.928 4.483 . 0 0 "[ . 1 . 2]" 1 571 1 27 LEU HA 1 27 LEU MD1 . . 4.060 3.878 3.849 3.922 . 0 0 "[ . 1 . 2]" 1 572 1 27 LEU HA 1 27 LEU MD2 . . 2.870 2.290 2.072 2.419 . 0 0 "[ . 1 . 2]" 1 573 1 27 LEU HA 1 27 LEU HG . . 3.560 2.858 2.699 3.025 . 0 0 "[ . 1 . 2]" 1 574 1 27 LEU HA 1 30 LEU H . . 3.920 3.560 3.346 3.759 . 0 0 "[ . 1 . 2]" 1 575 1 27 LEU HA 1 30 LEU HB2 . . 3.950 3.002 2.842 3.124 . 0 0 "[ . 1 . 2]" 1 576 1 27 LEU HA 1 30 LEU HB3 . . 4.710 4.652 4.514 4.713 0.003 10 0 "[ . 1 . 2]" 1 577 1 27 LEU HA 1 30 LEU MD1 . . 3.390 3.024 2.632 3.280 . 0 0 "[ . 1 . 2]" 1 578 1 27 LEU HA 1 30 LEU MD2 . . 5.450 5.299 5.095 5.442 . 0 0 "[ . 1 . 2]" 1 579 1 27 LEU HA 1 31 ARG H . . 4.630 4.155 3.743 4.362 . 0 0 "[ . 1 . 2]" 1 580 1 27 LEU HB2 1 27 LEU MD1 . . 3.210 2.185 2.061 2.299 . 0 0 "[ . 1 . 2]" 1 581 1 27 LEU HB2 1 28 ARG H . . 3.040 2.530 2.171 2.911 . 0 0 "[ . 1 . 2]" 1 582 1 27 LEU HB3 1 27 LEU MD1 . . 3.470 2.505 2.379 2.591 . 0 0 "[ . 1 . 2]" 1 583 1 27 LEU HB3 1 27 LEU MD2 . . 3.050 2.180 2.098 2.313 . 0 0 "[ . 1 . 2]" 1 584 1 27 LEU HB3 1 28 ARG H . . 3.640 3.397 3.103 3.604 . 0 0 "[ . 1 . 2]" 1 585 1 27 LEU HB3 1 31 ARG QD . . 4.640 2.727 2.125 3.394 . 0 0 "[ . 1 . 2]" 1 586 1 27 LEU MD1 1 28 ARG H . . 4.990 4.326 3.937 4.658 . 0 0 "[ . 1 . 2]" 1 587 1 27 LEU MD2 1 28 ARG H . . 5.480 4.695 4.579 4.824 . 0 0 "[ . 1 . 2]" 1 588 1 27 LEU MD2 1 31 ARG QD . . 3.980 3.496 2.707 3.988 0.008 8 0 "[ . 1 . 2]" 1 589 1 28 ARG H 1 28 ARG QB . . 3.110 2.207 2.127 2.271 . 0 0 "[ . 1 . 2]" 1 590 1 28 ARG H 1 28 ARG QD . . 4.490 4.190 3.478 4.493 0.003 12 0 "[ . 1 . 2]" 1 591 1 28 ARG H 1 28 ARG HG2 . . 4.820 4.163 2.872 4.627 . 0 0 "[ . 1 . 2]" 1 592 1 28 ARG H 1 28 ARG QG . . 4.140 3.538 2.582 4.053 . 0 0 "[ . 1 . 2]" 1 593 1 28 ARG H 1 28 ARG HG3 . . 4.820 3.959 2.618 4.646 . 0 0 "[ . 1 . 2]" 1 594 1 28 ARG H 1 29 PHE H . . 3.240 2.704 2.454 2.925 . 0 0 "[ . 1 . 2]" 1 595 1 28 ARG H 1 30 LEU H . . 4.300 4.105 3.967 4.251 . 0 0 "[ . 1 . 2]" 1 596 1 28 ARG H 1 31 ARG QD . . 5.500 4.255 3.680 5.059 . 0 0 "[ . 1 . 2]" 1 597 1 28 ARG HA 1 28 ARG QD . . 4.370 3.560 2.158 4.249 . 0 0 "[ . 1 . 2]" 1 598 1 28 ARG HA 1 28 ARG HG2 . . 3.810 2.891 2.358 3.733 . 0 0 "[ . 1 . 2]" 1 599 1 28 ARG HA 1 28 ARG QG . . 3.320 2.379 2.214 2.724 . 0 0 "[ . 1 . 2]" 1 600 1 28 ARG HA 1 28 ARG HG3 . . 3.810 2.814 2.274 3.640 . 0 0 "[ . 1 . 2]" 1 601 1 28 ARG HA 1 31 ARG QD . . 4.630 3.067 1.896 3.813 . 0 0 "[ . 1 . 2]" 1 602 1 28 ARG HA 1 32 GLU H . . 4.190 4.001 3.864 4.186 . 0 0 "[ . 1 . 2]" 1 603 1 28 ARG QB 1 29 PHE H . . 3.130 2.589 2.299 3.031 . 0 0 "[ . 1 . 2]" 1 604 1 28 ARG QB 1 29 PHE HA . . 4.620 3.949 3.757 4.376 . 0 0 "[ . 1 . 2]" 1 605 1 28 ARG QB 1 29 PHE HB2 . . 5.310 4.371 4.250 4.537 . 0 0 "[ . 1 . 2]" 1 606 1 28 ARG HB2 1 28 ARG QD . . 3.670 2.568 2.123 3.318 . 0 0 "[ . 1 . 2]" 1 607 1 28 ARG HB3 1 28 ARG QD . . 3.670 2.525 2.048 3.279 . 0 0 "[ . 1 . 2]" 1 608 1 28 ARG QD 1 29 PHE H . . 5.370 4.652 2.772 5.113 . 0 0 "[ . 1 . 2]" 1 609 1 28 ARG QG 1 29 PHE H . . 5.340 4.050 3.572 4.399 . 0 0 "[ . 1 . 2]" 1 610 1 28 ARG QG 1 32 GLU QG . . 3.740 2.601 1.886 3.740 0.000 11 0 "[ . 1 . 2]" 1 611 1 29 PHE H 1 29 PHE HB2 . . 2.830 2.772 2.680 2.883 0.053 16 0 "[ . 1 . 2]" 1 612 1 29 PHE H 1 29 PHE HB3 . . 3.510 2.330 2.284 2.389 . 0 0 "[ . 1 . 2]" 1 613 1 29 PHE H 1 29 PHE QD . . 4.220 4.110 4.044 4.156 . 0 0 "[ . 1 . 2]" 1 614 1 29 PHE H 1 30 LEU H . . 3.320 2.671 2.343 2.823 . 0 0 "[ . 1 . 2]" 1 615 1 29 PHE H 1 31 ARG H . . 4.390 3.925 3.618 4.168 . 0 0 "[ . 1 . 2]" 1 616 1 29 PHE H 1 60 VAL MG1 . . 5.290 4.979 4.533 5.258 . 0 0 "[ . 1 . 2]" 1 617 1 29 PHE H 1 60 VAL MG2 . . 5.200 4.919 4.697 5.166 . 0 0 "[ . 1 . 2]" 1 618 1 29 PHE HA 1 29 PHE QD . . 3.510 2.856 2.779 2.957 . 0 0 "[ . 1 . 2]" 1 619 1 29 PHE HA 1 32 GLU H . . 4.620 3.721 3.640 3.835 . 0 0 "[ . 1 . 2]" 1 620 1 29 PHE HA 1 33 ARG H . . 3.940 3.117 2.963 3.289 . 0 0 "[ . 1 . 2]" 1 621 1 29 PHE HA 1 33 ARG QB . . 4.110 3.819 3.599 4.024 . 0 0 "[ . 1 . 2]" 1 622 1 29 PHE HA 1 33 ARG QD . . 4.800 4.680 4.290 4.802 0.002 14 0 "[ . 1 . 2]" 1 623 1 29 PHE HA 1 33 ARG HG2 . . 4.060 2.920 2.698 3.089 . 0 0 "[ . 1 . 2]" 1 624 1 29 PHE HA 1 33 ARG QG . . 3.280 2.703 2.581 2.893 . 0 0 "[ . 1 . 2]" 1 625 1 29 PHE HA 1 33 ARG HG3 . . 4.060 3.214 3.040 3.605 . 0 0 "[ . 1 . 2]" 1 626 1 29 PHE HA 1 34 VAL H . . 5.390 4.875 4.668 5.179 . 0 0 "[ . 1 . 2]" 1 627 1 29 PHE HB2 1 30 LEU H . . 4.270 4.117 4.056 4.176 . 0 0 "[ . 1 . 2]" 1 628 1 29 PHE HB2 1 60 VAL MG1 . . 4.400 3.472 3.030 3.875 . 0 0 "[ . 1 . 2]" 1 629 1 29 PHE HB2 1 60 VAL MG2 . . 4.040 3.453 2.885 3.793 . 0 0 "[ . 1 . 2]" 1 630 1 29 PHE HB2 1 65 LEU MD1 . . 5.500 5.325 4.956 5.502 0.002 13 0 "[ . 1 . 2]" 1 631 1 29 PHE HB3 1 30 LEU H . . 3.320 2.866 2.767 2.971 . 0 0 "[ . 1 . 2]" 1 632 1 29 PHE HB3 1 30 LEU MD1 . . 5.500 4.241 4.103 4.430 . 0 0 "[ . 1 . 2]" 1 633 1 29 PHE HB3 1 30 LEU HG . . 5.200 3.624 3.372 3.876 . 0 0 "[ . 1 . 2]" 1 634 1 29 PHE HB3 1 60 VAL MG1 . . 4.360 3.578 2.999 3.922 . 0 0 "[ . 1 . 2]" 1 635 1 29 PHE HB3 1 60 VAL MG2 . . 4.120 3.025 2.794 3.314 . 0 0 "[ . 1 . 2]" 1 636 1 29 PHE QD 1 30 LEU H . . 3.750 3.349 3.231 3.478 . 0 0 "[ . 1 . 2]" 1 637 1 29 PHE QD 1 30 LEU HA . . 4.280 3.631 3.387 3.738 . 0 0 "[ . 1 . 2]" 1 638 1 29 PHE QD 1 30 LEU MD1 . . 3.360 3.344 3.229 3.377 0.017 16 0 "[ . 1 . 2]" 1 639 1 29 PHE QD 1 30 LEU MD2 . . 3.630 3.187 2.704 3.554 . 0 0 "[ . 1 . 2]" 1 640 1 29 PHE QD 1 30 LEU HG . . 3.970 2.074 1.998 2.250 . 0 0 "[ . 1 . 2]" 1 641 1 29 PHE QD 1 33 ARG QB . . 4.240 3.495 3.301 3.762 . 0 0 "[ . 1 . 2]" 1 642 1 29 PHE QD 1 33 ARG QD . . 3.680 3.627 3.520 3.686 0.006 5 0 "[ . 1 . 2]" 1 643 1 29 PHE QD 1 33 ARG HG2 . . 4.490 3.346 3.109 3.585 . 0 0 "[ . 1 . 2]" 1 644 1 29 PHE QD 1 33 ARG QG . . 3.750 2.065 1.979 2.352 . 0 0 "[ . 1 . 2]" 1 645 1 29 PHE QD 1 33 ARG HG3 . . 4.490 2.086 1.995 2.386 . 0 0 "[ . 1 . 2]" 1 646 1 29 PHE QD 1 34 VAL MG2 . . 4.280 3.693 3.369 4.018 . 0 0 "[ . 1 . 2]" 1 647 1 29 PHE QD 1 60 VAL MG2 . . 3.520 2.622 2.192 2.979 . 0 0 "[ . 1 . 2]" 1 648 1 29 PHE QD 1 65 LEU MD1 . . 3.800 3.161 2.768 3.526 . 0 0 "[ . 1 . 2]" 1 649 1 29 PHE QE 1 30 LEU MD2 . . 4.580 2.936 2.394 3.441 . 0 0 "[ . 1 . 2]" 1 650 1 29 PHE QE 1 33 ARG QB . . 4.610 3.329 3.140 3.537 . 0 0 "[ . 1 . 2]" 1 651 1 29 PHE QE 1 34 VAL MG2 . . 3.400 3.205 2.920 3.397 . 0 0 "[ . 1 . 2]" 1 652 1 29 PHE QE 1 43 LEU MD1 . . 4.500 2.583 1.968 4.279 . 0 0 "[ . 1 . 2]" 1 653 1 29 PHE QE 1 43 LEU QD . . 3.740 2.312 1.944 2.791 . 0 0 "[ . 1 . 2]" 1 654 1 29 PHE QE 1 43 LEU MD2 . . 4.500 3.190 2.086 3.957 . 0 0 "[ . 1 . 2]" 1 655 1 29 PHE QE 1 58 TYR HB2 . . 4.400 3.646 2.921 4.214 . 0 0 "[ . 1 . 2]" 1 656 1 29 PHE QE 1 58 TYR HB3 . . 3.780 2.428 2.001 2.813 . 0 0 "[ . 1 . 2]" 1 657 1 29 PHE QE 1 60 VAL MG2 . . 4.570 2.947 2.443 3.330 . 0 0 "[ . 1 . 2]" 1 658 1 29 PHE HZ 1 34 VAL MG2 . . 4.200 3.814 3.463 4.207 0.007 8 0 "[ . 1 . 2]" 1 659 1 29 PHE HZ 1 43 LEU MD1 . . 4.280 2.683 1.942 4.171 . 0 0 "[ . 1 . 2]" 1 660 1 29 PHE HZ 1 43 LEU QD . . 3.720 2.400 1.849 3.239 . 0 0 "[ . 1 . 2]" 1 661 1 29 PHE HZ 1 43 LEU MD2 . . 4.280 3.232 1.852 3.808 . 0 0 "[ . 1 . 2]" 1 662 1 29 PHE HZ 1 58 TYR HB3 . . 4.340 3.659 2.797 4.340 . 6 0 "[ . 1 . 2]" 1 663 1 30 LEU H 1 30 LEU HB2 . . 3.190 2.336 2.260 2.458 . 0 0 "[ . 1 . 2]" 1 664 1 30 LEU H 1 30 LEU HB3 . . 3.770 3.584 3.545 3.627 . 0 0 "[ . 1 . 2]" 1 665 1 30 LEU H 1 30 LEU MD1 . . 3.540 3.429 3.350 3.513 . 0 0 "[ . 1 . 2]" 1 666 1 30 LEU H 1 30 LEU MD2 . . 4.410 4.070 3.874 4.168 . 0 0 "[ . 1 . 2]" 1 667 1 30 LEU H 1 30 LEU HG . . 3.110 2.859 2.547 3.055 . 0 0 "[ . 1 . 2]" 1 668 1 30 LEU H 1 31 ARG H . . 3.470 2.282 2.249 2.347 . 0 0 "[ . 1 . 2]" 1 669 1 30 LEU H 1 32 GLU H . . 4.480 3.689 3.589 3.805 . 0 0 "[ . 1 . 2]" 1 670 1 30 LEU HA 1 30 LEU MD1 . . 4.070 3.872 3.833 3.925 . 0 0 "[ . 1 . 2]" 1 671 1 30 LEU HA 1 30 LEU MD2 . . 2.990 2.479 2.326 2.601 . 0 0 "[ . 1 . 2]" 1 672 1 30 LEU HA 1 30 LEU HG . . 4.090 2.709 2.598 2.874 . 0 0 "[ . 1 . 2]" 1 673 1 30 LEU HA 1 34 VAL H . . 3.670 2.811 2.460 2.997 . 0 0 "[ . 1 . 2]" 1 674 1 30 LEU HA 1 34 VAL HB . . 3.120 2.390 2.203 2.735 . 0 0 "[ . 1 . 2]" 1 675 1 30 LEU HA 1 34 VAL MG1 . . 4.100 3.837 3.658 4.087 . 0 0 "[ . 1 . 2]" 1 676 1 30 LEU HA 1 34 VAL MG2 . . 3.470 2.036 1.968 2.417 . 0 0 "[ . 1 . 2]" 1 677 1 30 LEU HA 1 35 ALA H . . 4.190 3.880 3.621 4.199 0.009 16 0 "[ . 1 . 2]" 1 678 1 30 LEU HB2 1 30 LEU MD1 . . 3.180 2.098 1.978 2.213 . 0 0 "[ . 1 . 2]" 1 679 1 30 LEU HB2 1 30 LEU MD2 . . 3.480 3.131 3.110 3.149 . 0 0 "[ . 1 . 2]" 1 680 1 30 LEU HB2 1 31 ARG H . . 3.520 2.959 2.754 3.132 . 0 0 "[ . 1 . 2]" 1 681 1 30 LEU HB3 1 30 LEU MD1 . . 3.130 2.597 2.508 2.673 . 0 0 "[ . 1 . 2]" 1 682 1 30 LEU HB3 1 30 LEU MD2 . . 3.470 2.094 2.009 2.229 . 0 0 "[ . 1 . 2]" 1 683 1 30 LEU HB3 1 31 ARG H . . 3.890 3.775 3.510 3.895 0.005 18 0 "[ . 1 . 2]" 1 684 1 30 LEU HB3 1 34 VAL HB . . 4.450 3.387 2.921 3.687 . 0 0 "[ . 1 . 2]" 1 685 1 30 LEU MD1 1 31 ARG H . . 4.720 4.581 4.407 4.724 0.004 18 0 "[ . 1 . 2]" 1 686 1 30 LEU MD2 1 31 ARG H . . 5.060 4.917 4.839 4.997 . 0 0 "[ . 1 . 2]" 1 687 1 30 LEU MD2 1 34 VAL HB . . 3.350 2.889 2.362 3.240 . 0 0 "[ . 1 . 2]" 1 688 1 30 LEU MD2 1 34 VAL MG2 . . 3.250 1.935 1.767 2.177 . 0 0 "[ . 1 . 2]" 1 689 1 30 LEU MD2 1 58 TYR QD . . 4.290 3.166 2.653 3.503 . 0 0 "[ . 1 . 2]" 1 690 1 31 ARG H 1 31 ARG HB2 . . 3.690 2.567 2.218 3.641 . 0 0 "[ . 1 . 2]" 1 691 1 31 ARG H 1 31 ARG QB . . 2.960 2.298 2.195 2.429 . 0 0 "[ . 1 . 2]" 1 692 1 31 ARG H 1 31 ARG HB3 . . 3.690 3.331 2.365 3.632 . 0 0 "[ . 1 . 2]" 1 693 1 31 ARG H 1 31 ARG QD . . 4.370 3.755 2.516 4.355 . 0 0 "[ . 1 . 2]" 1 694 1 31 ARG H 1 31 ARG HG2 . . 4.270 3.752 2.536 4.269 . 0 0 "[ . 1 . 2]" 1 695 1 31 ARG H 1 31 ARG QG . . 3.570 2.797 2.491 3.570 0.000 2 0 "[ . 1 . 2]" 1 696 1 31 ARG H 1 31 ARG HG3 . . 4.270 3.127 2.535 3.893 . 0 0 "[ . 1 . 2]" 1 697 1 31 ARG H 1 32 GLU H . . 3.300 2.351 2.239 2.502 . 0 0 "[ . 1 . 2]" 1 698 1 31 ARG H 1 33 ARG H . . 4.700 4.532 4.245 4.715 0.015 16 0 "[ . 1 . 2]" 1 699 1 31 ARG HA 1 31 ARG QD . . 4.610 4.059 2.986 4.453 . 0 0 "[ . 1 . 2]" 1 700 1 31 ARG HA 1 31 ARG HG2 . . 3.850 2.846 2.440 3.702 . 0 0 "[ . 1 . 2]" 1 701 1 31 ARG HA 1 31 ARG QG . . 3.330 2.540 2.202 3.304 . 0 0 "[ . 1 . 2]" 1 702 1 31 ARG HA 1 31 ARG HG3 . . 3.850 2.942 2.225 3.737 . 0 0 "[ . 1 . 2]" 1 703 1 31 ARG HA 1 35 ALA H . . 4.420 3.859 3.549 4.183 . 0 0 "[ . 1 . 2]" 1 704 1 31 ARG HA 1 35 ALA MB . . 3.030 2.224 2.008 2.632 . 0 0 "[ . 1 . 2]" 1 705 1 31 ARG QB 1 32 GLU QG . . 4.080 3.452 3.128 4.072 . 0 0 "[ . 1 . 2]" 1 706 1 31 ARG HB2 1 31 ARG QD . . 3.740 2.407 2.144 3.044 . 0 0 "[ . 1 . 2]" 1 707 1 31 ARG HB2 1 32 GLU H . . 4.260 3.598 3.172 4.354 0.094 14 0 "[ . 1 . 2]" 1 708 1 31 ARG HB3 1 31 ARG QD . . 3.740 2.625 2.236 3.247 . 0 0 "[ . 1 . 2]" 1 709 1 31 ARG HB3 1 32 GLU H . . 4.260 4.031 3.932 4.094 . 0 0 "[ . 1 . 2]" 1 710 1 31 ARG QD 1 32 GLU H . . 5.500 5.173 4.450 5.522 0.022 18 0 "[ . 1 . 2]" 1 711 1 32 GLU H 1 32 GLU HB2 . . 3.140 2.472 2.403 2.523 . 0 0 "[ . 1 . 2]" 1 712 1 32 GLU H 1 32 GLU HB3 . . 3.740 3.671 3.618 3.708 . 0 0 "[ . 1 . 2]" 1 713 1 32 GLU H 1 32 GLU QG . . 3.290 3.055 2.896 3.251 . 0 0 "[ . 1 . 2]" 1 714 1 32 GLU H 1 33 ARG H . . 3.100 2.511 2.303 2.632 . 0 0 "[ . 1 . 2]" 1 715 1 32 GLU H 1 33 ARG QB . . 4.390 4.355 4.271 4.404 0.014 6 0 "[ . 1 . 2]" 1 716 1 32 GLU H 1 33 ARG QG . . 4.180 4.103 3.845 4.188 0.008 18 0 "[ . 1 . 2]" 1 717 1 32 GLU H 1 34 VAL H . . 4.470 3.990 3.811 4.126 . 0 0 "[ . 1 . 2]" 1 718 1 32 GLU HA 1 32 GLU HG2 . . 3.660 2.851 2.300 3.323 . 0 0 "[ . 1 . 2]" 1 719 1 32 GLU HA 1 32 GLU HG3 . . 3.660 3.595 3.158 3.731 0.071 8 0 "[ . 1 . 2]" 1 720 1 32 GLU HA 1 35 ALA MB . . 4.490 2.657 2.288 2.993 . 0 0 "[ . 1 . 2]" 1 721 1 32 GLU HA 1 36 THR MG . . 3.960 3.534 2.939 3.989 0.029 16 0 "[ . 1 . 2]" 1 722 1 32 GLU HB2 1 33 ARG H . . 3.650 2.157 2.022 2.346 . 0 0 "[ . 1 . 2]" 1 723 1 32 GLU HB2 1 33 ARG QD . . 5.460 4.805 4.180 5.088 . 0 0 "[ . 1 . 2]" 1 724 1 32 GLU HB2 1 33 ARG HG2 . . 4.750 3.003 2.877 3.195 . 0 0 "[ . 1 . 2]" 1 725 1 32 GLU HB2 1 33 ARG QG . . 4.070 2.964 2.845 3.142 . 0 0 "[ . 1 . 2]" 1 726 1 32 GLU HB2 1 33 ARG HG3 . . 4.750 4.556 4.371 4.723 . 0 0 "[ . 1 . 2]" 1 727 1 32 GLU HB3 1 33 ARG QD . . 5.500 4.647 3.981 5.069 . 0 0 "[ . 1 . 2]" 1 728 1 32 GLU HB3 1 33 ARG QG . . 5.320 3.460 3.258 3.654 . 0 0 "[ . 1 . 2]" 1 729 1 32 GLU HB3 1 36 THR MG . . 4.850 4.023 3.847 4.354 . 0 0 "[ . 1 . 2]" 1 730 1 32 GLU QG 1 33 ARG H . . 4.680 3.938 3.846 4.045 . 0 0 "[ . 1 . 2]" 1 731 1 33 ARG H 1 33 ARG QB . . 3.250 2.573 2.533 2.595 . 0 0 "[ . 1 . 2]" 1 732 1 33 ARG H 1 33 ARG QD . . 4.480 3.759 3.297 4.038 . 0 0 "[ . 1 . 2]" 1 733 1 33 ARG H 1 33 ARG HG2 . . 4.100 1.931 1.895 2.013 . 0 0 "[ . 1 . 2]" 1 734 1 33 ARG H 1 33 ARG HG3 . . 4.100 3.269 3.154 3.415 . 0 0 "[ . 1 . 2]" 1 735 1 33 ARG H 1 34 VAL H . . 3.150 3.062 2.910 3.176 0.026 19 0 "[ . 1 . 2]" 1 736 1 33 ARG H 1 34 VAL MG2 . . 4.630 4.515 4.260 4.625 . 0 0 "[ . 1 . 2]" 1 737 1 33 ARG H 1 35 ALA H . . 4.640 3.874 3.649 4.222 . 0 0 "[ . 1 . 2]" 1 738 1 33 ARG HA 1 33 ARG QD . . 3.400 2.551 2.222 3.086 . 0 0 "[ . 1 . 2]" 1 739 1 33 ARG HA 1 33 ARG HG2 . . 3.980 2.930 2.861 3.023 . 0 0 "[ . 1 . 2]" 1 740 1 33 ARG HA 1 33 ARG HG3 . . 3.980 3.849 3.829 3.889 . 0 0 "[ . 1 . 2]" 1 741 1 33 ARG HA 1 36 THR H . . 4.690 3.815 3.631 4.049 . 0 0 "[ . 1 . 2]" 1 742 1 33 ARG HA 1 36 THR MG . . 4.350 3.143 2.369 3.915 . 0 0 "[ . 1 . 2]" 1 743 1 33 ARG HA 1 43 LEU QD . . 4.840 3.978 3.483 4.683 . 0 0 "[ . 1 . 2]" 1 744 1 33 ARG QB 1 34 VAL H . . 3.230 1.902 1.873 1.975 . 0 0 "[ . 1 . 2]" 1 745 1 33 ARG QB 1 34 VAL HA . . 4.750 3.764 3.753 3.796 . 0 0 "[ . 1 . 2]" 1 746 1 33 ARG QB 1 34 VAL MG2 . . 3.710 2.832 2.673 2.930 . 0 0 "[ . 1 . 2]" 1 747 1 33 ARG QB 1 43 LEU QD . . 3.840 2.128 1.857 2.830 . 0 0 "[ . 1 . 2]" 1 748 1 33 ARG QD 1 43 LEU MD1 . . 5.230 3.060 2.443 4.043 . 0 0 "[ . 1 . 2]" 1 749 1 33 ARG QD 1 43 LEU QD . . 3.810 2.897 2.410 3.633 . 0 0 "[ . 1 . 2]" 1 750 1 33 ARG QD 1 43 LEU MD2 . . 5.230 4.004 3.018 4.855 . 0 0 "[ . 1 . 2]" 1 751 1 33 ARG QG 1 34 VAL H . . 4.020 3.648 3.561 3.713 . 0 0 "[ . 1 . 2]" 1 752 1 34 VAL H 1 34 VAL HB . . 3.190 2.630 2.537 2.693 . 0 0 "[ . 1 . 2]" 1 753 1 34 VAL H 1 34 VAL MG1 . . 3.950 3.762 3.754 3.765 . 0 0 "[ . 1 . 2]" 1 754 1 34 VAL H 1 34 VAL MG2 . . 3.110 2.096 1.906 2.304 . 0 0 "[ . 1 . 2]" 1 755 1 34 VAL H 1 35 ALA H . . 3.320 2.762 2.634 2.862 . 0 0 "[ . 1 . 2]" 1 756 1 34 VAL H 1 36 THR H . . 4.580 4.517 4.252 4.599 0.019 14 0 "[ . 1 . 2]" 1 757 1 34 VAL HA 1 34 VAL MG1 . . 3.230 2.390 2.237 2.470 . 0 0 "[ . 1 . 2]" 1 758 1 34 VAL HA 1 34 VAL MG2 . . 3.140 2.353 2.273 2.460 . 0 0 "[ . 1 . 2]" 1 759 1 34 VAL HA 1 36 THR H . . 4.940 4.517 3.972 4.688 . 0 0 "[ . 1 . 2]" 1 760 1 34 VAL HA 1 37 LEU H . . 4.300 3.382 3.195 3.789 . 0 0 "[ . 1 . 2]" 1 761 1 34 VAL HA 1 37 LEU QB . . 4.800 2.109 1.977 2.611 . 0 0 "[ . 1 . 2]" 1 762 1 34 VAL HA 1 37 LEU MD1 . . 3.130 2.127 1.844 2.500 . 0 0 "[ . 1 . 2]" 1 763 1 34 VAL HA 1 37 LEU MD2 . . 4.570 4.327 4.050 4.570 . 11 0 "[ . 1 . 2]" 1 764 1 34 VAL HA 1 37 LEU HG . . 3.670 3.363 3.048 3.675 0.005 14 0 "[ . 1 . 2]" 1 765 1 34 VAL HA 1 40 PRO HA . . 4.570 3.933 3.463 4.162 . 0 0 "[ . 1 . 2]" 1 766 1 34 VAL HA 1 43 LEU QD . . 4.580 3.775 3.298 4.589 0.009 14 0 "[ . 1 . 2]" 1 767 1 34 VAL HB 1 35 ALA H . . 3.370 2.742 2.357 3.123 . 0 0 "[ . 1 . 2]" 1 768 1 34 VAL MG1 1 35 ALA H . . 3.790 3.621 3.398 3.802 0.012 20 0 "[ . 1 . 2]" 1 769 1 34 VAL MG1 1 40 PRO HA . . 3.880 2.455 2.117 2.954 . 0 0 "[ . 1 . 2]" 1 770 1 34 VAL MG1 1 40 PRO HB2 . . 3.790 3.626 3.246 3.794 0.004 6 0 "[ . 1 . 2]" 1 771 1 34 VAL MG1 1 40 PRO HB3 . . 3.790 2.768 2.284 3.091 . 0 0 "[ . 1 . 2]" 1 772 1 34 VAL MG1 1 58 TYR QE . . 3.960 3.383 2.947 3.833 . 0 0 "[ . 1 . 2]" 1 773 1 34 VAL MG1 1 58 TYR HH . . 4.020 3.126 2.071 4.018 . 0 0 "[ . 1 . 2]" 1 774 1 34 VAL MG2 1 35 ALA H . . 4.230 3.829 3.610 4.034 . 0 0 "[ . 1 . 2]" 1 775 1 34 VAL MG2 1 37 LEU MD1 . . 4.090 2.668 2.437 2.924 . 0 0 "[ . 1 . 2]" 1 776 1 34 VAL MG2 1 43 LEU MD1 . . 4.970 2.891 2.242 4.108 . 0 0 "[ . 1 . 2]" 1 777 1 34 VAL MG2 1 43 LEU QD . . 3.610 2.829 2.237 3.534 . 0 0 "[ . 1 . 2]" 1 778 1 34 VAL MG2 1 43 LEU MD2 . . 4.970 4.772 3.855 4.975 0.005 13 0 "[ . 1 . 2]" 1 779 1 34 VAL MG2 1 58 TYR QD . . 4.390 3.455 3.003 4.083 . 0 0 "[ . 1 . 2]" 1 780 1 34 VAL MG2 1 58 TYR QE . . 4.230 2.831 2.157 3.424 . 0 0 "[ . 1 . 2]" 1 781 1 35 ALA H 1 35 ALA MB . . 2.940 2.215 2.146 2.238 . 0 0 "[ . 1 . 2]" 1 782 1 35 ALA H 1 36 THR H . . 3.640 2.787 2.580 2.995 . 0 0 "[ . 1 . 2]" 1 783 1 35 ALA H 1 36 THR MG . . 4.510 4.168 3.619 4.464 . 0 0 "[ . 1 . 2]" 1 784 1 35 ALA MB 1 36 THR H . . 3.820 2.394 2.302 2.623 . 0 0 "[ . 1 . 2]" 1 785 1 35 ALA MB 1 36 THR HA . . 4.600 3.839 3.762 3.905 . 0 0 "[ . 1 . 2]" 1 786 1 35 ALA MB 1 36 THR MG . . 3.690 3.143 2.570 3.700 0.010 18 0 "[ . 1 . 2]" 1 787 1 36 THR H 1 36 THR HB . . 4.130 3.232 2.706 3.671 . 0 0 "[ . 1 . 2]" 1 788 1 36 THR H 1 36 THR MG . . 3.330 2.161 1.880 2.314 . 0 0 "[ . 1 . 2]" 1 789 1 36 THR H 1 37 LEU H . . 3.130 2.474 2.342 2.786 . 0 0 "[ . 1 . 2]" 1 790 1 36 THR H 1 37 LEU HG . . 4.660 4.400 4.132 4.579 . 0 0 "[ . 1 . 2]" 1 791 1 36 THR HA 1 36 THR MG . . 3.370 2.789 2.411 3.196 . 0 0 "[ . 1 . 2]" 1 792 1 36 THR MG 1 37 LEU H . . 3.860 3.104 2.052 3.889 0.029 5 0 "[ . 1 . 2]" 1 793 1 37 LEU H 1 37 LEU HB2 . . 4.070 2.358 2.244 2.690 . 0 0 "[ . 1 . 2]" 1 794 1 37 LEU H 1 37 LEU QB . . 3.440 2.325 2.220 2.620 . 0 0 "[ . 1 . 2]" 1 795 1 37 LEU H 1 37 LEU HB3 . . 4.070 3.564 3.533 3.614 . 0 0 "[ . 1 . 2]" 1 796 1 37 LEU H 1 37 LEU MD1 . . 3.890 3.598 3.328 3.817 . 0 0 "[ . 1 . 2]" 1 797 1 37 LEU H 1 37 LEU MD2 . . 4.030 3.696 3.293 4.004 . 0 0 "[ . 1 . 2]" 1 798 1 37 LEU H 1 37 LEU HG . . 3.230 2.558 1.994 3.096 . 0 0 "[ . 1 . 2]" 1 799 1 37 LEU HA 1 37 LEU MD2 . . 2.860 2.143 1.959 2.346 . 0 0 "[ . 1 . 2]" 1 800 1 37 LEU HA 1 37 LEU HG . . 3.590 2.850 2.783 2.997 . 0 0 "[ . 1 . 2]" 1 801 1 37 LEU HA 1 38 GLU H . . 3.030 2.151 2.140 2.171 . 0 0 "[ . 1 . 2]" 1 802 1 37 LEU HA 1 39 ASP H . . 4.000 3.731 3.555 3.898 . 0 0 "[ . 1 . 2]" 1 803 1 37 LEU QB 1 37 LEU MD1 . . 2.910 2.057 1.998 2.094 . 0 0 "[ . 1 . 2]" 1 804 1 37 LEU QB 1 38 GLU H . . 4.110 3.418 3.141 3.601 . 0 0 "[ . 1 . 2]" 1 805 1 37 LEU QB 1 39 ASP H . . 3.560 2.785 2.592 3.041 . 0 0 "[ . 1 . 2]" 1 806 1 37 LEU QB 1 40 PRO HA . . 3.980 3.608 3.526 3.701 . 0 0 "[ . 1 . 2]" 1 807 1 37 LEU HB2 1 37 LEU MD1 . . 3.340 2.235 2.091 2.363 . 0 0 "[ . 1 . 2]" 1 808 1 37 LEU HB2 1 38 GLU H . . 4.710 4.416 4.251 4.509 . 0 0 "[ . 1 . 2]" 1 809 1 37 LEU HB3 1 37 LEU MD1 . . 3.340 2.414 2.339 2.539 . 0 0 "[ . 1 . 2]" 1 810 1 37 LEU HB3 1 38 GLU H . . 4.710 3.562 3.230 3.787 . 0 0 "[ . 1 . 2]" 1 811 1 37 LEU MD1 1 40 PRO HA . . 3.630 3.607 3.533 3.634 0.004 11 0 "[ . 1 . 2]" 1 812 1 37 LEU MD1 1 42 SER H . . 4.390 3.810 3.382 4.417 0.027 11 0 "[ . 1 . 2]" 1 813 1 37 LEU MD1 1 42 SER QB . . 4.330 2.268 1.884 3.380 . 0 0 "[ . 1 . 2]" 1 814 1 37 LEU MD1 1 43 LEU H . . 4.290 2.918 2.550 3.745 . 0 0 "[ . 1 . 2]" 1 815 1 37 LEU MD2 1 38 GLU H . . 4.100 3.441 2.910 3.690 . 0 0 "[ . 1 . 2]" 1 816 1 37 LEU MD2 1 39 ASP H . . 4.450 3.768 3.531 4.287 . 0 0 "[ . 1 . 2]" 1 817 1 37 LEU MD2 1 42 SER QB . . 4.240 2.340 1.903 3.738 . 0 0 "[ . 1 . 2]" 1 818 1 38 GLU H 1 38 GLU QB . . 3.130 2.343 2.127 2.544 . 0 0 "[ . 1 . 2]" 1 819 1 38 GLU H 1 38 GLU HG2 . . 4.610 3.575 1.980 4.523 . 0 0 "[ . 1 . 2]" 1 820 1 38 GLU H 1 38 GLU QG . . 3.850 3.008 1.968 3.888 0.038 17 0 "[ . 1 . 2]" 1 821 1 38 GLU H 1 38 GLU HG3 . . 4.610 3.552 2.046 4.493 . 0 0 "[ . 1 . 2]" 1 822 1 38 GLU H 1 39 ASP H . . 3.560 2.825 2.384 3.006 . 0 0 "[ . 1 . 2]" 1 823 1 38 GLU QB 1 39 ASP H . . 3.360 2.733 2.558 2.897 . 0 0 "[ . 1 . 2]" 1 824 1 38 GLU QB 1 39 ASP QB . . 4.320 3.736 3.215 4.193 . 0 0 "[ . 1 . 2]" 1 825 1 39 ASP H 1 39 ASP HB2 . . 3.870 2.989 2.464 3.732 . 0 0 "[ . 1 . 2]" 1 826 1 39 ASP H 1 39 ASP QB . . 3.210 2.777 2.428 3.226 0.016 6 0 "[ . 1 . 2]" 1 827 1 39 ASP H 1 39 ASP HB3 . . 3.870 3.509 2.919 3.872 0.002 14 0 "[ . 1 . 2]" 1 828 1 39 ASP HA 1 40 PRO HD2 . . 3.640 2.183 1.914 2.255 . 0 0 "[ . 1 . 2]" 1 829 1 39 ASP HA 1 40 PRO QD . . 3.170 1.975 1.860 2.010 . 0 0 "[ . 1 . 2]" 1 830 1 39 ASP HA 1 40 PRO HD3 . . 3.640 2.269 2.251 2.530 . 0 0 "[ . 1 . 2]" 1 831 1 39 ASP QB 1 40 PRO QD . . 4.420 2.719 2.237 3.479 . 0 0 "[ . 1 . 2]" 1 832 1 39 ASP QB 1 41 ARG H . . 4.190 2.656 2.287 3.420 . 0 0 "[ . 1 . 2]" 1 833 1 39 ASP QB 1 41 ARG QB . . 4.630 3.170 2.729 3.939 . 0 0 "[ . 1 . 2]" 1 834 1 39 ASP QB 1 42 SER H . . 4.480 4.011 2.802 4.487 0.007 8 0 "[ . 1 . 2]" 1 835 1 39 ASP QB 1 42 SER QB . . 3.890 3.516 3.060 3.904 0.014 2 0 "[ . 1 . 2]" 1 836 1 40 PRO HA 1 42 SER H . . 4.470 3.695 3.379 4.225 . 0 0 "[ . 1 . 2]" 1 837 1 40 PRO HA 1 58 TYR HH . . 4.220 3.103 2.191 3.854 . 0 0 "[ . 1 . 2]" 1 838 1 40 PRO QB 1 58 TYR QE . . 4.460 3.744 3.463 4.189 . 0 0 "[ . 1 . 2]" 1 839 1 40 PRO QB 1 58 TYR HH . . 3.460 2.178 1.960 2.678 . 0 0 "[ . 1 . 2]" 1 840 1 40 PRO QB 1 69 ILE MD . . 3.630 2.187 1.956 2.460 . 0 0 "[ . 1 . 2]" 1 841 1 40 PRO QB 1 69 ILE MG . . 3.350 3.126 2.657 3.358 0.008 11 0 "[ . 1 . 2]" 1 842 1 40 PRO HB2 1 58 TYR HH . . 4.190 2.241 1.997 2.813 . 0 0 "[ . 1 . 2]" 1 843 1 40 PRO HB2 1 69 ILE MD . . 4.490 2.205 1.966 2.487 . 0 0 "[ . 1 . 2]" 1 844 1 40 PRO HB2 1 76 VAL MG2 . . 3.740 2.813 2.458 3.222 . 0 0 "[ . 1 . 2]" 1 845 1 40 PRO HB3 1 58 TYR HH . . 4.190 3.132 2.593 3.795 . 0 0 "[ . 1 . 2]" 1 846 1 40 PRO HB3 1 69 ILE MD . . 4.490 3.660 3.420 3.960 . 0 0 "[ . 1 . 2]" 1 847 1 40 PRO HB3 1 76 VAL MG2 . . 3.740 2.465 2.124 2.928 . 0 0 "[ . 1 . 2]" 1 848 1 40 PRO QD 1 41 ARG H . . 4.050 2.718 2.617 2.970 . 0 0 "[ . 1 . 2]" 1 849 1 40 PRO QD 1 76 VAL MG2 . . 5.200 4.042 3.739 4.371 . 0 0 "[ . 1 . 2]" 1 850 1 40 PRO QG 1 41 ARG H . . 4.020 2.819 2.515 3.305 . 0 0 "[ . 1 . 2]" 1 851 1 40 PRO QG 1 69 ILE MD . . 3.850 2.137 1.931 2.562 . 0 0 "[ . 1 . 2]" 1 852 1 40 PRO HG2 1 69 ILE MD . . 4.650 2.167 1.963 2.603 . 0 0 "[ . 1 . 2]" 1 853 1 40 PRO HG3 1 69 ILE MD . . 4.650 3.284 2.865 3.831 . 0 0 "[ . 1 . 2]" 1 854 1 41 ARG H 1 41 ARG HB2 . . 3.740 2.371 2.242 2.494 . 0 0 "[ . 1 . 2]" 1 855 1 41 ARG H 1 41 ARG QB . . 3.220 2.339 2.219 2.455 . 0 0 "[ . 1 . 2]" 1 856 1 41 ARG H 1 41 ARG HB3 . . 3.740 3.593 3.530 3.670 . 0 0 "[ . 1 . 2]" 1 857 1 41 ARG H 1 41 ARG HG2 . . 4.180 3.585 2.447 4.127 . 0 0 "[ . 1 . 2]" 1 858 1 41 ARG H 1 41 ARG QG . . 3.410 2.700 2.366 3.099 . 0 0 "[ . 1 . 2]" 1 859 1 41 ARG H 1 41 ARG HG3 . . 4.180 2.873 2.453 3.631 . 0 0 "[ . 1 . 2]" 1 860 1 41 ARG H 1 42 SER H . . 3.410 2.985 2.406 3.393 . 0 0 "[ . 1 . 2]" 1 861 1 41 ARG HA 1 41 ARG QG . . 3.620 2.333 2.182 2.588 . 0 0 "[ . 1 . 2]" 1 862 1 41 ARG HA 1 43 LEU H . . 4.430 4.309 4.036 4.421 . 0 0 "[ . 1 . 2]" 1 863 1 41 ARG HA 1 56 TRP HE1 . . 4.300 3.143 2.316 4.177 . 0 0 "[ . 1 . 2]" 1 864 1 41 ARG HA 1 56 TRP HZ2 . . 4.180 2.949 2.245 3.950 . 0 0 "[ . 1 . 2]" 1 865 1 41 ARG HA 1 69 ILE MD . . 4.520 3.137 2.830 3.557 . 0 0 "[ . 1 . 2]" 1 866 1 41 ARG QB 1 41 ARG QD . . 3.310 2.162 2.034 2.420 . 0 0 "[ . 1 . 2]" 1 867 1 41 ARG QB 1 56 TRP HH2 . . 4.300 3.107 2.448 4.027 . 0 0 "[ . 1 . 2]" 1 868 1 41 ARG QB 1 56 TRP HZ2 . . 4.280 3.342 2.369 4.183 . 0 0 "[ . 1 . 2]" 1 869 1 41 ARG QD 1 56 TRP QB . . 5.180 4.809 3.971 5.179 . 0 0 "[ . 1 . 2]" 1 870 1 41 ARG QD 1 56 TRP HH2 . . 4.770 3.305 2.405 4.773 0.003 6 0 "[ . 1 . 2]" 1 871 1 41 ARG QD 1 69 ILE MD . . 4.090 3.235 2.426 4.010 . 0 0 "[ . 1 . 2]" 1 872 1 41 ARG HD2 1 56 TRP HZ3 . . 4.530 3.378 2.291 4.530 0.000 6 0 "[ . 1 . 2]" 1 873 1 41 ARG HD3 1 56 TRP HZ3 . . 4.530 3.420 2.281 4.511 . 0 0 "[ . 1 . 2]" 1 874 1 41 ARG QG 1 69 ILE MD . . 3.010 2.138 1.727 2.740 . 0 0 "[ . 1 . 2]" 1 875 1 41 ARG HG2 1 69 ILE MD . . 3.700 2.387 1.892 2.902 . 0 0 "[ . 1 . 2]" 1 876 1 41 ARG HG3 1 69 ILE MD . . 3.700 2.550 1.937 3.534 . 0 0 "[ . 1 . 2]" 1 877 1 42 SER H 1 42 SER HB2 . . 3.880 2.738 2.195 3.730 . 0 0 "[ . 1 . 2]" 1 878 1 42 SER H 1 42 SER HB3 . . 3.880 2.809 2.413 3.646 . 0 0 "[ . 1 . 2]" 1 879 1 42 SER H 1 43 LEU H . . 3.540 2.389 1.972 3.174 . 0 0 "[ . 1 . 2]" 1 880 1 42 SER QB 1 43 LEU H . . 4.230 2.439 2.167 3.327 . 0 0 "[ . 1 . 2]" 1 881 1 42 SER HB2 1 43 LEU H . . 4.850 3.614 2.755 3.931 . 0 0 "[ . 1 . 2]" 1 882 1 42 SER HB3 1 43 LEU H . . 4.850 2.533 2.191 3.966 . 0 0 "[ . 1 . 2]" 1 883 1 43 LEU H 1 43 LEU QB . . 3.560 2.321 2.256 2.505 . 0 0 "[ . 1 . 2]" 1 884 1 43 LEU H 1 43 LEU HG . . 4.660 3.200 2.554 4.246 . 0 0 "[ . 1 . 2]" 1 885 1 43 LEU H 1 58 TYR QE . . 4.480 3.337 2.936 3.988 . 0 0 "[ . 1 . 2]" 1 886 1 43 LEU HA 1 43 LEU MD1 . . 4.020 3.749 2.595 3.907 . 0 0 "[ . 1 . 2]" 1 887 1 43 LEU HA 1 43 LEU QD . . 3.030 2.194 1.983 2.867 . 0 0 "[ . 1 . 2]" 1 888 1 43 LEU HA 1 43 LEU MD2 . . 4.020 2.304 1.989 3.790 . 0 0 "[ . 1 . 2]" 1 889 1 43 LEU HA 1 43 LEU HG . . 4.230 2.765 2.341 3.160 . 0 0 "[ . 1 . 2]" 1 890 1 43 LEU QB 1 43 LEU QD . . 2.660 1.880 1.816 1.937 . 0 0 "[ . 1 . 2]" 1 891 1 43 LEU QB 1 44 GLY H . . 3.780 2.966 1.908 3.787 0.007 10 0 "[ . 1 . 2]" 1 892 1 43 LEU QB 1 44 GLY QA . . 5.180 3.675 3.408 3.978 . 0 0 "[ . 1 . 2]" 1 893 1 43 LEU QB 1 58 TYR QE . . 3.530 3.017 2.276 3.531 0.001 5 0 "[ . 1 . 2]" 1 894 1 43 LEU HB2 1 44 GLY H . . 4.570 3.709 1.927 4.431 . 0 0 "[ . 1 . 2]" 1 895 1 43 LEU HB2 1 58 TYR QD . . 4.320 3.146 2.342 3.557 . 0 0 "[ . 1 . 2]" 1 896 1 43 LEU HB3 1 44 GLY H . . 4.570 3.339 2.684 4.367 . 0 0 "[ . 1 . 2]" 1 897 1 43 LEU HB3 1 58 TYR QD . . 4.320 3.094 2.741 3.547 . 0 0 "[ . 1 . 2]" 1 898 1 43 LEU QD 1 44 GLY H . . 4.770 3.648 2.946 4.492 . 0 0 "[ . 1 . 2]" 1 899 1 43 LEU QD 1 58 TYR QD . . 4.620 3.886 3.231 4.272 . 0 0 "[ . 1 . 2]" 1 900 1 44 GLY H 1 45 GLU H . . 4.720 4.495 4.360 4.634 . 0 0 "[ . 1 . 2]" 1 901 1 44 GLY QA 1 45 GLU QB . . 5.180 3.884 3.733 3.974 . 0 0 "[ . 1 . 2]" 1 902 1 44 GLY QA 1 56 TRP HE1 . . 3.830 2.119 1.892 2.707 . 0 0 "[ . 1 . 2]" 1 903 1 44 GLY QA 1 58 TYR QD . . 3.730 2.965 2.375 3.570 . 0 0 "[ . 1 . 2]" 1 904 1 44 GLY HA2 1 56 TRP HE1 . . 4.440 3.669 3.367 4.318 . 0 0 "[ . 1 . 2]" 1 905 1 44 GLY HA2 1 58 TYR HA . . 4.140 2.528 2.001 3.424 . 0 0 "[ . 1 . 2]" 1 906 1 44 GLY HA2 1 58 TYR QD . . 4.300 3.701 2.782 4.297 . 0 0 "[ . 1 . 2]" 1 907 1 44 GLY HA3 1 56 TRP HE1 . . 4.440 2.134 1.899 2.735 . 0 0 "[ . 1 . 2]" 1 908 1 44 GLY HA3 1 58 TYR HA . . 4.140 2.740 2.226 3.225 . 0 0 "[ . 1 . 2]" 1 909 1 44 GLY HA3 1 58 TYR QD . . 4.300 3.158 2.577 3.882 . 0 0 "[ . 1 . 2]" 1 910 1 45 GLU H 1 45 GLU QG . . 3.700 2.477 2.145 3.714 0.014 18 0 "[ . 1 . 2]" 1 911 1 45 GLU H 1 56 TRP HE1 . . 4.620 3.827 3.273 4.446 . 0 0 "[ . 1 . 2]" 1 912 1 45 GLU H 1 57 LYS H . . 4.090 2.944 2.265 3.549 . 0 0 "[ . 1 . 2]" 1 913 1 45 GLU H 1 57 LYS QB . . 4.480 3.153 2.608 4.482 0.002 16 0 "[ . 1 . 2]" 1 914 1 45 GLU H 1 58 TYR HA . . 4.810 3.759 3.084 4.108 . 0 0 "[ . 1 . 2]" 1 915 1 45 GLU HA 1 46 PRO HD2 . . 3.350 2.286 2.166 2.379 . 0 0 "[ . 1 . 2]" 1 916 1 45 GLU HA 1 46 PRO HD3 . . 3.350 2.266 2.251 2.290 . 0 0 "[ . 1 . 2]" 1 917 1 45 GLU HA 1 56 TRP HZ2 . . 4.300 3.481 3.059 3.822 . 0 0 "[ . 1 . 2]" 1 918 1 45 GLU QB 1 46 PRO QD . . 3.100 2.227 1.973 2.991 . 0 0 "[ . 1 . 2]" 1 919 1 45 GLU QG 1 57 LYS QB . . 3.830 2.639 1.914 3.835 0.005 16 0 "[ . 1 . 2]" 1 920 1 45 GLU QG 1 57 LYS QE . . 4.020 3.714 2.293 4.024 0.004 18 0 "[ . 1 . 2]" 1 921 1 46 PRO HA 1 47 LEU H . . 3.180 2.290 2.161 2.668 . 0 0 "[ . 1 . 2]" 1 922 1 46 PRO HA 1 56 TRP HA . . 3.620 2.763 1.999 3.549 . 0 0 "[ . 1 . 2]" 1 923 1 46 PRO HA 1 56 TRP QB . . 4.880 4.353 3.720 4.869 . 0 0 "[ . 1 . 2]" 1 924 1 46 PRO HA 1 56 TRP HE3 . . 4.070 2.820 2.203 3.241 . 0 0 "[ . 1 . 2]" 1 925 1 46 PRO HA 1 56 TRP HZ3 . . 4.420 3.479 2.165 4.195 . 0 0 "[ . 1 . 2]" 1 926 1 46 PRO HA 1 57 LYS H . . 4.710 3.767 3.101 4.339 . 0 0 "[ . 1 . 2]" 1 927 1 46 PRO QB 1 47 LEU H . . 3.750 2.932 1.992 3.708 . 0 0 "[ . 1 . 2]" 1 928 1 46 PRO QB 1 56 TRP HE3 . . 4.690 3.141 2.292 3.638 . 0 0 "[ . 1 . 2]" 1 929 1 46 PRO QB 1 56 TRP HZ3 . . 3.770 2.200 1.992 2.655 . 0 0 "[ . 1 . 2]" 1 930 1 46 PRO HB2 1 47 LEU H . . 4.480 3.081 2.013 4.019 . 0 0 "[ . 1 . 2]" 1 931 1 46 PRO HB2 1 56 TRP HZ3 . . 4.540 3.898 3.584 4.369 . 0 0 "[ . 1 . 2]" 1 932 1 46 PRO HB3 1 47 LEU H . . 4.480 3.737 3.186 4.352 . 0 0 "[ . 1 . 2]" 1 933 1 46 PRO HB3 1 56 TRP HZ3 . . 4.540 2.212 2.000 2.678 . 0 0 "[ . 1 . 2]" 1 934 1 46 PRO QD 1 56 TRP HH2 . . 3.880 2.604 2.234 2.850 . 0 0 "[ . 1 . 2]" 1 935 1 46 PRO QD 1 56 TRP HZ3 . . 4.630 3.248 2.287 4.034 . 0 0 "[ . 1 . 2]" 1 936 1 46 PRO HD2 1 56 TRP HH2 . . 4.610 4.314 3.851 4.616 0.006 18 0 "[ . 1 . 2]" 1 937 1 46 PRO HD3 1 56 TRP HH2 . . 4.610 2.626 2.249 2.877 . 0 0 "[ . 1 . 2]" 1 938 1 46 PRO QG 1 56 TRP HH2 . . 4.550 3.620 3.286 4.055 . 0 0 "[ . 1 . 2]" 1 939 1 46 PRO QG 1 56 TRP HZ3 . . 4.490 3.383 2.730 3.919 . 0 0 "[ . 1 . 2]" 1 940 1 47 LEU H 1 47 LEU HB2 . . 3.730 2.583 2.173 3.231 . 0 0 "[ . 1 . 2]" 1 941 1 47 LEU H 1 47 LEU QB . . 3.250 2.345 2.152 2.684 . 0 0 "[ . 1 . 2]" 1 942 1 47 LEU H 1 47 LEU HB3 . . 3.730 2.952 2.287 3.679 . 0 0 "[ . 1 . 2]" 1 943 1 47 LEU H 1 47 LEU QD . . 4.630 3.443 2.103 4.021 . 0 0 "[ . 1 . 2]" 1 944 1 47 LEU H 1 47 LEU HG . . 4.590 4.234 2.603 4.600 0.010 5 0 "[ . 1 . 2]" 1 945 1 47 LEU H 1 56 TRP HA . . 4.170 3.517 2.266 4.130 . 0 0 "[ . 1 . 2]" 1 946 1 47 LEU HA 1 47 LEU MD1 . . 4.050 2.815 1.981 3.852 . 0 0 "[ . 1 . 2]" 1 947 1 47 LEU HA 1 47 LEU QD . . 3.260 2.418 1.947 3.124 . 0 0 "[ . 1 . 2]" 1 948 1 47 LEU HA 1 47 LEU MD2 . . 4.050 3.266 1.982 4.002 . 0 0 "[ . 1 . 2]" 1 949 1 47 LEU HA 1 47 LEU HG . . 4.000 2.836 2.284 3.807 . 0 0 "[ . 1 . 2]" 1 950 1 47 LEU QB 1 55 PHE QB . . 3.610 2.626 2.215 3.240 . 0 0 "[ . 1 . 2]" 1 951 1 47 LEU QD 1 55 PHE H . . 5.000 3.686 2.155 4.495 . 0 0 "[ . 1 . 2]" 1 952 1 47 LEU QD 1 55 PHE QB . . 3.250 2.391 1.743 2.979 . 0 0 "[ . 1 . 2]" 1 953 1 47 LEU QD 1 55 PHE QD . . 4.220 3.000 1.936 3.942 . 0 0 "[ . 1 . 2]" 1 954 1 47 LEU QD 1 57 LYS QE . . 3.750 2.323 1.778 3.706 . 0 0 "[ . 1 . 2]" 1 955 1 47 LEU QD 1 88 TYR QD . . 5.030 4.640 3.409 5.033 0.003 5 0 "[ . 1 . 2]" 1 956 1 47 LEU QD 1 88 TYR QE . . 4.870 4.332 3.393 4.872 0.002 17 0 "[ . 1 . 2]" 1 957 1 47 LEU MD1 1 55 PHE HB2 . . 4.970 3.542 1.952 4.430 . 0 0 "[ . 1 . 2]" 1 958 1 47 LEU MD1 1 55 PHE HB3 . . 4.970 4.230 1.965 4.967 . 0 0 "[ . 1 . 2]" 1 959 1 47 LEU MD1 1 57 LYS HE2 . . 6.090 3.086 1.907 4.996 . 0 0 "[ . 1 . 2]" 1 960 1 47 LEU MD1 1 57 LYS HE3 . . 6.090 3.023 1.917 4.677 . 0 0 "[ . 1 . 2]" 1 961 1 47 LEU MD2 1 55 PHE HB2 . . 4.970 2.875 1.993 4.337 . 0 0 "[ . 1 . 2]" 1 962 1 47 LEU MD2 1 55 PHE HB3 . . 4.970 3.923 2.427 4.913 . 0 0 "[ . 1 . 2]" 1 963 1 47 LEU MD2 1 57 LYS HE2 . . 6.090 4.310 2.070 5.984 . 0 0 "[ . 1 . 2]" 1 964 1 47 LEU MD2 1 57 LYS HE3 . . 6.090 4.099 1.963 5.864 . 0 0 "[ . 1 . 2]" 1 965 1 48 ARG HA 1 48 ARG QD . . 4.020 3.426 2.041 4.098 0.078 12 0 "[ . 1 . 2]" 1 966 1 48 ARG HA 1 48 ARG QG . . 3.690 2.408 2.136 3.408 . 0 0 "[ . 1 . 2]" 1 967 1 48 ARG HA 1 49 GLY H . . 3.400 2.206 2.144 2.394 . 0 0 "[ . 1 . 2]" 1 968 1 48 ARG QB 1 49 GLY H . . 4.360 3.541 2.445 3.958 . 0 0 "[ . 1 . 2]" 1 969 1 49 GLY QA 1 50 PRO QD . . 2.650 1.986 1.912 2.035 . 0 0 "[ . 1 . 2]" 1 970 1 49 GLY QA 1 50 PRO QG . . 4.020 3.683 3.660 3.700 . 0 0 "[ . 1 . 2]" 1 971 1 49 GLY HA2 1 50 PRO HD2 . . 3.630 2.471 2.257 3.128 . 0 0 "[ . 1 . 2]" 1 972 1 49 GLY HA2 1 50 PRO HD3 . . 3.630 2.362 2.259 2.838 . 0 0 "[ . 1 . 2]" 1 973 1 49 GLY HA2 1 50 PRO QG . . 4.690 4.057 3.915 4.542 . 0 0 "[ . 1 . 2]" 1 974 1 49 GLY HA3 1 50 PRO HD2 . . 3.630 2.572 2.006 2.789 . 0 0 "[ . 1 . 2]" 1 975 1 49 GLY HA3 1 50 PRO HD3 . . 3.630 3.430 2.793 3.631 0.001 9 0 "[ . 1 . 2]" 1 976 1 49 GLY HA3 1 50 PRO QG . . 4.690 4.284 3.861 4.449 . 0 0 "[ . 1 . 2]" 1 977 1 50 PRO QG 1 51 GLU H . . 3.830 2.534 1.950 3.201 . 0 0 "[ . 1 . 2]" 1 978 1 51 GLU H 1 51 GLU QG . . 4.410 3.172 1.991 4.154 . 0 0 "[ . 1 . 2]" 1 979 1 51 GLU H 1 52 LEU H . . 4.050 2.525 1.860 3.778 . 0 0 "[ . 1 . 2]" 1 980 1 51 GLU HA 1 51 GLU QG . . 3.420 2.590 2.153 3.338 . 0 0 "[ . 1 . 2]" 1 981 1 51 GLU QB 1 52 LEU H . . 4.170 2.989 1.937 4.050 . 0 0 "[ . 1 . 2]" 1 982 1 52 LEU H 1 52 LEU QB . . 3.460 2.561 2.151 3.049 . 0 0 "[ . 1 . 2]" 1 983 1 52 LEU H 1 52 LEU MD1 . . 5.160 3.075 1.766 4.301 . 0 0 "[ . 1 . 2]" 1 984 1 52 LEU H 1 52 LEU QD . . 4.250 2.744 1.759 3.896 . 0 0 "[ . 1 . 2]" 1 985 1 52 LEU H 1 52 LEU MD2 . . 5.160 3.874 2.067 4.529 . 0 0 "[ . 1 . 2]" 1 986 1 52 LEU H 1 52 LEU HG . . 4.330 3.324 1.909 4.183 . 0 0 "[ . 1 . 2]" 1 987 1 52 LEU HA 1 52 LEU MD1 . . 4.270 3.431 1.969 3.941 . 0 0 "[ . 1 . 2]" 1 988 1 52 LEU HA 1 52 LEU QD . . 3.510 2.752 1.928 3.433 . 0 0 "[ . 1 . 2]" 1 989 1 52 LEU HA 1 52 LEU MD2 . . 4.270 3.131 2.207 4.056 . 0 0 "[ . 1 . 2]" 1 990 1 52 LEU HA 1 53 GLY HA2 . . 5.170 4.484 4.329 5.154 . 0 0 "[ . 1 . 2]" 1 991 1 52 LEU HA 1 53 GLY QA . . 4.500 3.946 3.889 4.254 . 0 0 "[ . 1 . 2]" 1 992 1 52 LEU HA 1 53 GLY HA3 . . 5.170 4.393 4.302 4.537 . 0 0 "[ . 1 . 2]" 1 993 1 52 LEU HA 1 55 PHE QD . . 4.380 4.064 3.259 4.368 . 0 0 "[ . 1 . 2]" 1 994 1 52 LEU QB 1 52 LEU QD . . 2.760 1.857 1.770 2.040 . 0 0 "[ . 1 . 2]" 1 995 1 52 LEU QB 1 53 GLY H . . 3.670 2.577 2.038 3.270 . 0 0 "[ . 1 . 2]" 1 996 1 52 LEU QB 1 55 PHE QD . . 4.260 2.603 2.002 4.016 . 0 0 "[ . 1 . 2]" 1 997 1 52 LEU QD 1 55 PHE QD . . 3.690 2.622 1.974 3.342 . 0 0 "[ . 1 . 2]" 1 998 1 53 GLY QA 1 54 ARG HA . . 4.810 3.974 3.931 4.061 . 0 0 "[ . 1 . 2]" 1 999 1 53 GLY HA2 1 54 ARG HA . . 5.500 4.534 4.345 4.843 . 0 0 "[ . 1 . 2]" 1 1000 1 53 GLY HA3 1 54 ARG HA . . 5.500 4.404 4.292 4.521 . 0 0 "[ . 1 . 2]" 1 1001 1 54 ARG H 1 54 ARG QG . . 4.570 3.530 2.066 4.146 . 0 0 "[ . 1 . 2]" 1 1002 1 54 ARG H 1 55 PHE H . . 4.120 3.709 2.600 4.116 . 0 0 "[ . 1 . 2]" 1 1003 1 54 ARG HA 1 54 ARG QD . . 4.160 3.499 2.002 4.236 0.076 5 0 "[ . 1 . 2]" 1 1004 1 54 ARG HA 1 54 ARG HG2 . . 3.800 2.975 2.196 3.704 . 0 0 "[ . 1 . 2]" 1 1005 1 54 ARG HA 1 54 ARG QG . . 3.310 2.430 2.157 3.332 0.022 5 0 "[ . 1 . 2]" 1 1006 1 54 ARG HA 1 54 ARG HG3 . . 3.800 2.822 2.194 3.844 0.044 5 0 "[ . 1 . 2]" 1 1007 1 54 ARG HA 1 55 PHE QD . . 5.190 4.729 4.058 5.192 0.002 11 0 "[ . 1 . 2]" 1 1008 1 54 ARG QB 1 54 ARG QD . . 3.500 2.262 2.050 2.692 . 0 0 "[ . 1 . 2]" 1 1009 1 54 ARG QB 1 55 PHE H . . 3.990 3.654 2.318 3.991 0.001 8 0 "[ . 1 . 2]" 1 1010 1 54 ARG QG 1 55 PHE H . . 4.600 4.070 3.156 4.622 0.022 10 0 "[ . 1 . 2]" 1 1011 1 55 PHE H 1 55 PHE HB2 . . 4.090 2.732 2.426 2.997 . 0 0 "[ . 1 . 2]" 1 1012 1 55 PHE H 1 55 PHE QB . . 3.310 2.669 2.392 2.914 . 0 0 "[ . 1 . 2]" 1 1013 1 55 PHE H 1 55 PHE HB3 . . 4.090 3.776 3.575 3.975 . 0 0 "[ . 1 . 2]" 1 1014 1 55 PHE H 1 55 PHE QD . . 4.140 3.271 2.007 4.021 . 0 0 "[ . 1 . 2]" 1 1015 1 55 PHE HA 1 55 PHE QD . . 3.500 2.507 2.028 3.079 . 0 0 "[ . 1 . 2]" 1 1016 1 55 PHE HA 1 56 TRP H . . 3.280 2.223 2.138 2.464 . 0 0 "[ . 1 . 2]" 1 1017 1 55 PHE HA 1 66 ILE MG . . 4.830 4.616 4.300 4.836 0.006 18 0 "[ . 1 . 2]" 1 1018 1 55 PHE HA 1 68 HIS HA . . 3.760 3.058 2.439 3.695 . 0 0 "[ . 1 . 2]" 1 1019 1 55 PHE QB 1 56 TRP H . . 3.680 2.981 2.293 3.551 . 0 0 "[ . 1 . 2]" 1 1020 1 55 PHE QB 1 66 ILE MG . . 3.360 2.694 2.292 3.005 . 0 0 "[ . 1 . 2]" 1 1021 1 55 PHE HB2 1 66 ILE MG . . 4.080 3.634 3.026 4.053 . 0 0 "[ . 1 . 2]" 1 1022 1 55 PHE HB3 1 66 ILE MG . . 4.080 2.783 2.372 3.119 . 0 0 "[ . 1 . 2]" 1 1023 1 55 PHE QD 1 66 ILE MG . . 4.110 3.799 3.170 4.104 . 0 0 "[ . 1 . 2]" 1 1024 1 55 PHE QD 1 68 HIS HA . . 3.930 3.073 2.274 3.919 . 0 0 "[ . 1 . 2]" 1 1025 1 55 PHE QD 1 68 HIS HB2 . . 4.450 2.876 2.209 3.384 . 0 0 "[ . 1 . 2]" 1 1026 1 55 PHE QD 1 79 LEU QD . . 3.790 2.593 2.046 3.667 . 0 0 "[ . 1 . 2]" 1 1027 1 56 TRP H 1 56 TRP HB2 . . 4.130 2.596 2.198 3.037 . 0 0 "[ . 1 . 2]" 1 1028 1 56 TRP H 1 56 TRP HB3 . . 4.130 2.823 2.585 3.031 . 0 0 "[ . 1 . 2]" 1 1029 1 56 TRP H 1 66 ILE MG . . 4.760 4.204 3.127 4.715 . 0 0 "[ . 1 . 2]" 1 1030 1 56 TRP H 1 68 HIS HA . . 4.750 3.000 2.486 3.936 . 0 0 "[ . 1 . 2]" 1 1031 1 56 TRP HA 1 56 TRP HE3 . . 4.360 2.907 2.256 3.327 . 0 0 "[ . 1 . 2]" 1 1032 1 56 TRP QB 1 67 CYS HB2 . . 5.340 3.620 2.762 4.234 . 0 0 "[ . 1 . 2]" 1 1033 1 56 TRP QB 1 69 ILE HG12 . . 4.190 3.713 3.392 4.132 . 0 0 "[ . 1 . 2]" 1 1034 1 56 TRP QB 1 69 ILE HG13 . . 3.860 2.456 2.123 3.216 . 0 0 "[ . 1 . 2]" 1 1035 1 56 TRP QB 1 69 ILE MG . . 5.060 4.406 4.166 4.833 . 0 0 "[ . 1 . 2]" 1 1036 1 56 TRP HB2 1 69 ILE MD . . 3.790 2.252 1.966 2.893 . 0 0 "[ . 1 . 2]" 1 1037 1 56 TRP HB2 1 69 ILE HG12 . . 4.780 4.219 3.892 4.694 . 0 0 "[ . 1 . 2]" 1 1038 1 56 TRP HB2 1 69 ILE HG13 . . 4.450 2.765 2.327 3.492 . 0 0 "[ . 1 . 2]" 1 1039 1 56 TRP HB3 1 69 ILE MD . . 3.790 2.817 2.255 3.561 . 0 0 "[ . 1 . 2]" 1 1040 1 56 TRP HB3 1 69 ILE HG12 . . 4.780 4.153 3.731 4.744 . 0 0 "[ . 1 . 2]" 1 1041 1 56 TRP HB3 1 69 ILE HG13 . . 4.450 2.821 2.247 3.763 . 0 0 "[ . 1 . 2]" 1 1042 1 56 TRP HD1 1 58 TYR QD . . 4.750 3.496 2.901 3.778 . 0 0 "[ . 1 . 2]" 1 1043 1 56 TRP HD1 1 58 TYR QE . . 4.310 3.006 2.632 3.334 . 0 0 "[ . 1 . 2]" 1 1044 1 56 TRP HD1 1 69 ILE MD . . 4.540 3.347 2.710 4.428 . 0 0 "[ . 1 . 2]" 1 1045 1 56 TRP HE1 1 58 TYR QE . . 4.230 3.371 2.191 4.111 . 0 0 "[ . 1 . 2]" 1 1046 1 57 LYS H 1 57 LYS QB . . 3.660 2.555 2.355 2.912 . 0 0 "[ . 1 . 2]" 1 1047 1 57 LYS H 1 57 LYS QG . . 4.810 3.513 2.352 4.176 . 0 0 "[ . 1 . 2]" 1 1048 1 57 LYS HA 1 57 LYS QE . . 5.040 4.209 3.694 4.874 . 0 0 "[ . 1 . 2]" 1 1049 1 57 LYS HA 1 57 LYS HG2 . . 4.110 3.308 2.344 3.882 . 0 0 "[ . 1 . 2]" 1 1050 1 57 LYS HA 1 57 LYS HG3 . . 4.110 2.868 2.182 4.201 0.091 16 0 "[ . 1 . 2]" 1 1051 1 57 LYS HA 1 58 TYR H . . 3.010 2.202 2.140 2.421 . 0 0 "[ . 1 . 2]" 1 1052 1 57 LYS HA 1 58 TYR HB2 . . 5.390 4.483 4.317 4.673 . 0 0 "[ . 1 . 2]" 1 1053 1 57 LYS HA 1 65 LEU H . . 5.210 4.676 4.380 5.194 . 0 0 "[ . 1 . 2]" 1 1054 1 57 LYS HA 1 66 ILE HA . . 3.730 2.466 2.170 2.738 . 0 0 "[ . 1 . 2]" 1 1055 1 57 LYS HA 1 66 ILE MD . . 4.600 4.001 2.867 4.602 0.002 20 0 "[ . 1 . 2]" 1 1056 1 57 LYS HA 1 67 CYS H . . 4.320 3.017 2.324 3.809 . 0 0 "[ . 1 . 2]" 1 1057 1 57 LYS QB 1 57 LYS QE . . 3.440 2.228 1.851 2.953 . 0 0 "[ . 1 . 2]" 1 1058 1 57 LYS QB 1 66 ILE HA . . 4.370 3.633 2.481 4.371 0.001 9 0 "[ . 1 . 2]" 1 1059 1 57 LYS QB 1 66 ILE MD . . 4.390 3.466 1.814 4.395 0.005 11 0 "[ . 1 . 2]" 1 1060 1 57 LYS QB 1 66 ILE MG . . 4.020 3.692 3.038 4.023 0.003 18 0 "[ . 1 . 2]" 1 1061 1 57 LYS HB2 1 58 TYR H . . 4.630 4.000 2.419 4.540 . 0 0 "[ . 1 . 2]" 1 1062 1 57 LYS HB3 1 58 TYR H . . 4.630 3.770 2.727 4.386 . 0 0 "[ . 1 . 2]" 1 1063 1 57 LYS QD 1 66 ILE MD . . 4.500 2.951 1.890 4.378 . 0 0 "[ . 1 . 2]" 1 1064 1 57 LYS QD 1 66 ILE MG . . 4.820 3.770 1.972 4.822 0.002 11 0 "[ . 1 . 2]" 1 1065 1 57 LYS HD2 1 66 ILE MD . . 5.130 3.614 2.352 4.968 . 0 0 "[ . 1 . 2]" 1 1066 1 57 LYS HD3 1 66 ILE MD . . 5.130 3.354 1.917 5.137 0.007 18 0 "[ . 1 . 2]" 1 1067 1 57 LYS QE 1 66 ILE MD . . 3.910 2.797 1.878 3.877 . 0 0 "[ . 1 . 2]" 1 1068 1 57 LYS QE 1 66 ILE MG . . 4.140 3.802 3.204 4.129 . 0 0 "[ . 1 . 2]" 1 1069 1 57 LYS HE2 1 66 ILE MD . . 4.470 3.303 1.889 4.299 . 0 0 "[ . 1 . 2]" 1 1070 1 57 LYS HE3 1 66 ILE MD . . 4.470 3.497 2.034 4.467 . 0 0 "[ . 1 . 2]" 1 1071 1 57 LYS QG 1 58 TYR H . . 4.300 3.302 2.214 4.199 . 0 0 "[ . 1 . 2]" 1 1072 1 57 LYS QG 1 65 LEU H . . 5.340 4.246 2.680 5.342 0.002 12 0 "[ . 1 . 2]" 1 1073 1 57 LYS QG 1 66 ILE MD . . 4.150 3.103 1.814 4.149 . 0 0 "[ . 1 . 2]" 1 1074 1 58 TYR H 1 58 TYR HB2 . . 3.890 2.493 2.305 2.695 . 0 0 "[ . 1 . 2]" 1 1075 1 58 TYR H 1 58 TYR QD . . 4.310 3.008 2.379 3.571 . 0 0 "[ . 1 . 2]" 1 1076 1 58 TYR H 1 65 LEU H . . 3.720 3.154 2.795 3.704 . 0 0 "[ . 1 . 2]" 1 1077 1 58 TYR H 1 65 LEU HB2 . . 4.190 3.212 2.824 3.721 . 0 0 "[ . 1 . 2]" 1 1078 1 58 TYR H 1 65 LEU HB3 . . 5.230 4.653 4.335 5.059 . 0 0 "[ . 1 . 2]" 1 1079 1 58 TYR H 1 66 ILE HA . . 4.750 3.496 2.971 3.919 . 0 0 "[ . 1 . 2]" 1 1080 1 58 TYR HA 1 58 TYR QD . . 3.520 2.676 2.123 3.034 . 0 0 "[ . 1 . 2]" 1 1081 1 58 TYR HA 1 59 ARG H . . 3.350 2.279 2.168 2.425 . 0 0 "[ . 1 . 2]" 1 1082 1 58 TYR HA 1 59 ARG QB . . 4.600 4.146 3.959 4.436 . 0 0 "[ . 1 . 2]" 1 1083 1 58 TYR HB2 1 59 ARG H . . 4.600 3.931 3.465 4.252 . 0 0 "[ . 1 . 2]" 1 1084 1 58 TYR HB2 1 60 VAL MG2 . . 4.610 3.988 3.682 4.192 . 0 0 "[ . 1 . 2]" 1 1085 1 58 TYR HB2 1 65 LEU H . . 4.630 3.699 3.134 4.144 . 0 0 "[ . 1 . 2]" 1 1086 1 58 TYR HB2 1 65 LEU HB2 . . 3.720 2.229 2.013 2.478 . 0 0 "[ . 1 . 2]" 1 1087 1 58 TYR HB2 1 65 LEU HB3 . . 4.300 3.885 3.704 4.060 . 0 0 "[ . 1 . 2]" 1 1088 1 58 TYR HB2 1 65 LEU MD1 . . 3.620 2.829 2.366 3.330 . 0 0 "[ . 1 . 2]" 1 1089 1 58 TYR HB2 1 65 LEU HG . . 4.680 3.872 3.552 4.328 . 0 0 "[ . 1 . 2]" 1 1090 1 58 TYR HB3 1 59 ARG H . . 4.050 2.787 2.417 3.193 . 0 0 "[ . 1 . 2]" 1 1091 1 58 TYR HB3 1 60 VAL MG2 . . 4.260 3.442 3.019 3.797 . 0 0 "[ . 1 . 2]" 1 1092 1 58 TYR HB3 1 65 LEU HB2 . . 4.050 3.722 3.137 4.052 0.002 18 0 "[ . 1 . 2]" 1 1093 1 58 TYR HB3 1 65 LEU MD1 . . 3.850 3.284 2.899 3.831 . 0 0 "[ . 1 . 2]" 1 1094 1 58 TYR QD 1 59 ARG H . . 4.810 3.620 3.076 3.919 . 0 0 "[ . 1 . 2]" 1 1095 1 58 TYR QD 1 65 LEU HB2 . . 3.850 3.253 2.465 3.785 . 0 0 "[ . 1 . 2]" 1 1096 1 58 TYR QD 1 65 LEU HB3 . . 4.590 4.276 3.481 4.592 0.002 10 0 "[ . 1 . 2]" 1 1097 1 58 TYR QD 1 65 LEU MD1 . . 4.990 3.959 3.355 4.556 . 0 0 "[ . 1 . 2]" 1 1098 1 58 TYR QD 1 76 VAL MG1 . . 4.640 4.224 3.941 4.551 . 0 0 "[ . 1 . 2]" 1 1099 1 58 TYR QE 1 58 TYR HH . . 3.330 2.413 2.194 2.639 . 0 0 "[ . 1 . 2]" 1 1100 1 58 TYR QE 1 67 CYS HB2 . . 4.630 2.251 1.997 2.963 . 0 0 "[ . 1 . 2]" 1 1101 1 58 TYR QE 1 67 CYS HB3 . . 4.700 3.445 2.668 4.149 . 0 0 "[ . 1 . 2]" 1 1102 1 58 TYR QE 1 69 ILE MD . . 4.130 3.828 3.325 4.051 . 0 0 "[ . 1 . 2]" 1 1103 1 58 TYR QE 1 76 VAL MG1 . . 3.550 2.579 2.341 2.886 . 0 0 "[ . 1 . 2]" 1 1104 1 58 TYR HH 1 69 ILE MD . . 4.170 2.898 2.169 3.828 . 0 0 "[ . 1 . 2]" 1 1105 1 59 ARG H 1 59 ARG QB . . 3.640 2.678 2.243 3.142 . 0 0 "[ . 1 . 2]" 1 1106 1 59 ARG H 1 59 ARG HG2 . . 4.580 3.371 1.928 4.595 0.015 17 0 "[ . 1 . 2]" 1 1107 1 59 ARG H 1 59 ARG QG . . 4.000 3.074 1.889 4.054 0.054 19 0 "[ . 1 . 2]" 1 1108 1 59 ARG H 1 59 ARG HG3 . . 4.580 3.843 2.167 4.720 0.140 18 0 "[ . 1 . 2]" 1 1109 1 59 ARG HA 1 60 VAL H . . 3.450 2.154 2.140 2.197 . 0 0 "[ . 1 . 2]" 1 1110 1 59 ARG HA 1 64 ARG HA . . 3.850 3.026 2.662 3.387 . 0 0 "[ . 1 . 2]" 1 1111 1 59 ARG HA 1 64 ARG QD . . 4.240 2.917 2.503 3.584 . 0 0 "[ . 1 . 2]" 1 1112 1 59 ARG HA 1 65 LEU H . . 4.750 3.762 3.400 4.035 . 0 0 "[ . 1 . 2]" 1 1113 1 59 ARG QB 1 59 ARG QD . . 3.260 2.201 2.057 2.544 . 0 0 "[ . 1 . 2]" 1 1114 1 59 ARG QB 1 60 VAL H . . 3.940 3.461 3.091 3.809 . 0 0 "[ . 1 . 2]" 1 1115 1 59 ARG QG 1 60 VAL H . . 4.620 3.521 2.424 4.465 . 0 0 "[ . 1 . 2]" 1 1116 1 60 VAL H 1 60 VAL HB . . 3.590 2.649 2.524 2.779 . 0 0 "[ . 1 . 2]" 1 1117 1 60 VAL H 1 60 VAL MG1 . . 4.130 3.820 3.739 3.885 . 0 0 "[ . 1 . 2]" 1 1118 1 60 VAL H 1 60 VAL MG2 . . 3.850 3.031 2.846 3.304 . 0 0 "[ . 1 . 2]" 1 1119 1 60 VAL H 1 61 GLY H . . 5.030 3.776 3.493 4.027 . 0 0 "[ . 1 . 2]" 1 1120 1 60 VAL H 1 63 TYR H . . 4.010 3.098 2.848 3.516 . 0 0 "[ . 1 . 2]" 1 1121 1 60 VAL H 1 64 ARG HA . . 4.120 3.574 3.276 3.801 . 0 0 "[ . 1 . 2]" 1 1122 1 60 VAL H 1 64 ARG QD . . 4.350 4.054 3.478 4.351 0.001 18 0 "[ . 1 . 2]" 1 1123 1 60 VAL H 1 65 LEU H . . 5.500 4.649 4.350 5.039 . 0 0 "[ . 1 . 2]" 1 1124 1 60 VAL H 1 65 LEU MD1 . . 4.720 4.412 4.141 4.680 . 0 0 "[ . 1 . 2]" 1 1125 1 60 VAL HA 1 60 VAL MG1 . . 3.200 2.443 2.389 2.515 . 0 0 "[ . 1 . 2]" 1 1126 1 60 VAL HA 1 60 VAL MG2 . . 3.260 2.257 2.133 2.369 . 0 0 "[ . 1 . 2]" 1 1127 1 60 VAL HB 1 63 TYR H . . 4.750 3.728 3.411 4.015 . 0 0 "[ . 1 . 2]" 1 1128 1 60 VAL HB 1 63 TYR HB2 . . 4.090 2.597 2.077 3.059 . 0 0 "[ . 1 . 2]" 1 1129 1 60 VAL HB 1 63 TYR HB3 . . 4.590 3.863 3.505 4.204 . 0 0 "[ . 1 . 2]" 1 1130 1 60 VAL HB 1 65 LEU MD1 . . 4.280 3.151 2.828 3.698 . 0 0 "[ . 1 . 2]" 1 1131 1 60 VAL MG1 1 61 GLY HA2 . . 4.580 4.419 4.208 4.585 0.005 5 0 "[ . 1 . 2]" 1 1132 1 60 VAL MG1 1 61 GLY QA . . 3.740 3.322 3.149 3.441 . 0 0 "[ . 1 . 2]" 1 1133 1 60 VAL MG1 1 61 GLY HA3 . . 4.580 3.434 3.253 3.562 . 0 0 "[ . 1 . 2]" 1 1134 1 60 VAL MG1 1 63 TYR H . . 4.680 4.068 3.830 4.393 . 0 0 "[ . 1 . 2]" 1 1135 1 60 VAL MG1 1 63 TYR HB2 . . 4.280 3.029 2.730 3.213 . 0 0 "[ . 1 . 2]" 1 1136 1 60 VAL MG1 1 63 TYR HB3 . . 4.520 4.387 4.042 4.517 . 0 0 "[ . 1 . 2]" 1 1137 1 60 VAL MG1 1 63 TYR QD . . 4.060 3.675 3.466 3.955 . 0 0 "[ . 1 . 2]" 1 1138 1 60 VAL MG1 1 65 LEU MD1 . . 4.580 3.568 3.140 3.892 . 0 0 "[ . 1 . 2]" 1 1139 1 60 VAL MG2 1 65 LEU MD1 . . 3.090 1.926 1.723 2.362 . 0 0 "[ . 1 . 2]" 1 1140 1 60 VAL MG2 1 65 LEU HG . . 3.790 3.022 2.396 3.681 . 0 0 "[ . 1 . 2]" 1 1141 1 61 GLY QA 1 63 TYR H . . 5.070 3.887 3.628 4.126 . 0 0 "[ . 1 . 2]" 1 1142 1 62 ASP H 1 63 TYR H . . 4.320 2.595 2.307 2.955 . 0 0 "[ . 1 . 2]" 1 1143 1 62 ASP HA 1 84 ALA MB . . 4.000 3.079 2.183 3.728 . 0 0 "[ . 1 . 2]" 1 1144 1 62 ASP QB 1 63 TYR H . . 4.430 3.848 3.706 4.002 . 0 0 "[ . 1 . 2]" 1 1145 1 62 ASP QB 1 83 HIS HE1 . . 4.680 2.914 2.124 4.042 . 0 0 "[ . 1 . 2]" 1 1146 1 62 ASP QB 1 84 ALA MB . . 4.370 3.597 3.055 4.179 . 0 0 "[ . 1 . 2]" 1 1147 1 63 TYR H 1 63 TYR HB2 . . 3.260 2.777 2.573 2.903 . 0 0 "[ . 1 . 2]" 1 1148 1 63 TYR H 1 63 TYR HB3 . . 3.950 3.853 3.736 3.923 . 0 0 "[ . 1 . 2]" 1 1149 1 63 TYR H 1 63 TYR QD . . 3.280 2.897 2.665 3.018 . 0 0 "[ . 1 . 2]" 1 1150 1 63 TYR H 1 63 TYR QE . . 5.140 5.079 4.929 5.140 . 18 0 "[ . 1 . 2]" 1 1151 1 63 TYR H 1 64 ARG H . . 4.870 4.318 4.224 4.416 . 0 0 "[ . 1 . 2]" 1 1152 1 63 TYR H 1 83 HIS HA . . 5.500 4.862 4.747 5.015 . 0 0 "[ . 1 . 2]" 1 1153 1 63 TYR HA 1 63 TYR QD . . 4.080 3.132 3.069 3.167 . 0 0 "[ . 1 . 2]" 1 1154 1 63 TYR HA 1 64 ARG H . . 3.120 2.206 2.165 2.263 . 0 0 "[ . 1 . 2]" 1 1155 1 63 TYR HA 1 82 GLY H . . 5.500 5.440 5.336 5.503 0.003 19 0 "[ . 1 . 2]" 1 1156 1 63 TYR HA 1 83 HIS HA . . 3.400 2.034 1.998 2.159 . 0 0 "[ . 1 . 2]" 1 1157 1 63 TYR HA 1 84 ALA H . . 3.800 2.104 1.903 2.647 . 0 0 "[ . 1 . 2]" 1 1158 1 63 TYR HB2 1 64 ARG H . . 4.290 4.086 3.925 4.216 . 0 0 "[ . 1 . 2]" 1 1159 1 63 TYR HB2 1 65 LEU MD2 . . 4.340 3.808 3.585 4.068 . 0 0 "[ . 1 . 2]" 1 1160 1 63 TYR HB3 1 64 ARG H . . 3.570 3.008 2.794 3.198 . 0 0 "[ . 1 . 2]" 1 1161 1 63 TYR HB3 1 65 LEU MD2 . . 4.160 3.038 2.737 3.195 . 0 0 "[ . 1 . 2]" 1 1162 1 63 TYR HB3 1 81 VAL QG . . 4.110 3.980 3.710 4.112 0.002 2 0 "[ . 1 . 2]" 1 1163 1 63 TYR QD 1 64 ARG H . . 4.280 4.128 3.858 4.242 . 0 0 "[ . 1 . 2]" 1 1164 1 63 TYR QD 1 65 LEU MD2 . . 4.710 4.161 3.987 4.397 . 0 0 "[ . 1 . 2]" 1 1165 1 63 TYR QD 1 81 VAL QG . . 4.120 3.960 3.679 4.127 0.007 4 0 "[ . 1 . 2]" 1 1166 1 63 TYR QD 1 82 GLY H . . 5.040 4.936 4.710 5.040 0.000 12 0 "[ . 1 . 2]" 1 1167 1 63 TYR QD 1 82 GLY QA . . 4.350 4.011 3.674 4.223 . 0 0 "[ . 1 . 2]" 1 1168 1 63 TYR QD 1 83 HIS HA . . 3.970 2.740 2.188 3.164 . 0 0 "[ . 1 . 2]" 1 1169 1 63 TYR QE 1 83 HIS HA . . 4.580 4.024 3.629 4.444 . 0 0 "[ . 1 . 2]" 1 1170 1 63 TYR QE 1 83 HIS QB . . 4.100 3.264 2.850 3.606 . 0 0 "[ . 1 . 2]" 1 1171 1 64 ARG H 1 64 ARG HB2 . . 4.060 2.458 2.300 2.674 . 0 0 "[ . 1 . 2]" 1 1172 1 64 ARG H 1 64 ARG QB . . 3.340 2.421 2.272 2.617 . 0 0 "[ . 1 . 2]" 1 1173 1 64 ARG H 1 64 ARG HB3 . . 4.060 3.647 3.531 3.728 . 0 0 "[ . 1 . 2]" 1 1174 1 64 ARG H 1 64 ARG HG2 . . 4.650 3.049 2.375 4.187 . 0 0 "[ . 1 . 2]" 1 1175 1 64 ARG H 1 64 ARG QG . . 3.810 2.947 2.347 3.816 0.006 6 0 "[ . 1 . 2]" 1 1176 1 64 ARG H 1 64 ARG HG3 . . 4.650 4.030 3.673 4.398 . 0 0 "[ . 1 . 2]" 1 1177 1 64 ARG H 1 65 LEU H . . 4.720 4.469 4.390 4.533 . 0 0 "[ . 1 . 2]" 1 1178 1 64 ARG H 1 65 LEU MD2 . . 4.560 3.896 3.425 4.066 . 0 0 "[ . 1 . 2]" 1 1179 1 64 ARG H 1 82 GLY H . . 3.890 3.778 3.576 3.895 0.005 6 0 "[ . 1 . 2]" 1 1180 1 64 ARG H 1 83 HIS HA . . 4.200 2.922 2.638 3.132 . 0 0 "[ . 1 . 2]" 1 1181 1 64 ARG H 1 84 ALA H . . 4.480 3.173 2.704 3.509 . 0 0 "[ . 1 . 2]" 1 1182 1 64 ARG HA 1 64 ARG HD2 . . 4.080 2.622 2.020 3.534 . 0 0 "[ . 1 . 2]" 1 1183 1 64 ARG HA 1 64 ARG QD . . 3.490 2.122 2.008 2.569 . 0 0 "[ . 1 . 2]" 1 1184 1 64 ARG HA 1 64 ARG HD3 . . 4.080 2.931 2.043 3.658 . 0 0 "[ . 1 . 2]" 1 1185 1 64 ARG HA 1 65 LEU H . . 3.060 2.185 2.147 2.245 . 0 0 "[ . 1 . 2]" 1 1186 1 64 ARG HA 1 65 LEU MD2 . . 4.410 4.099 3.763 4.273 . 0 0 "[ . 1 . 2]" 1 1187 1 64 ARG HA 1 65 LEU HG . . 4.420 3.433 3.282 3.603 . 0 0 "[ . 1 . 2]" 1 1188 1 64 ARG QB 1 64 ARG QD . . 3.250 2.376 2.051 2.671 . 0 0 "[ . 1 . 2]" 1 1189 1 64 ARG QB 1 65 LEU H . . 3.620 3.048 2.843 3.281 . 0 0 "[ . 1 . 2]" 1 1190 1 64 ARG QB 1 82 GLY H . . 4.320 3.868 3.604 4.149 . 0 0 "[ . 1 . 2]" 1 1191 1 64 ARG QB 1 84 ALA HA . . 3.770 2.981 2.486 3.396 . 0 0 "[ . 1 . 2]" 1 1192 1 64 ARG QB 1 87 VAL QG . . 3.380 1.965 1.714 2.474 . 0 0 "[ . 1 . 2]" 1 1193 1 64 ARG HB2 1 65 LEU H . . 4.390 4.167 3.921 4.373 . 0 0 "[ . 1 . 2]" 1 1194 1 64 ARG HB2 1 84 ALA HA . . 4.520 3.049 2.513 3.516 . 0 0 "[ . 1 . 2]" 1 1195 1 64 ARG HB3 1 65 LEU H . . 4.390 3.135 2.900 3.391 . 0 0 "[ . 1 . 2]" 1 1196 1 64 ARG HB3 1 84 ALA HA . . 4.520 4.258 3.930 4.490 . 0 0 "[ . 1 . 2]" 1 1197 1 64 ARG QD 1 65 LEU H . . 4.300 3.458 2.811 4.099 . 0 0 "[ . 1 . 2]" 1 1198 1 64 ARG QG 1 65 LEU H . . 4.630 4.399 3.753 4.635 0.005 4 0 "[ . 1 . 2]" 1 1199 1 64 ARG QG 1 84 ALA HA . . 3.650 2.005 1.801 2.671 . 0 0 "[ . 1 . 2]" 1 1200 1 64 ARG HG2 1 65 LEU H . . 5.500 4.860 4.456 5.354 . 0 0 "[ . 1 . 2]" 1 1201 1 64 ARG HG2 1 84 ALA HA . . 4.180 2.127 1.997 2.703 . 0 0 "[ . 1 . 2]" 1 1202 1 64 ARG HG3 1 65 LEU H . . 5.500 5.129 3.858 5.426 . 0 0 "[ . 1 . 2]" 1 1203 1 64 ARG HG3 1 84 ALA HA . . 4.180 2.588 2.049 4.176 . 0 0 "[ . 1 . 2]" 1 1204 1 65 LEU H 1 65 LEU HB2 . . 3.730 2.840 2.749 2.935 . 0 0 "[ . 1 . 2]" 1 1205 1 65 LEU H 1 65 LEU HB3 . . 3.920 3.829 3.758 3.894 . 0 0 "[ . 1 . 2]" 1 1206 1 65 LEU H 1 65 LEU MD1 . . 4.050 3.881 3.774 4.004 . 0 0 "[ . 1 . 2]" 1 1207 1 65 LEU H 1 65 LEU MD2 . . 4.200 3.604 3.321 3.809 . 0 0 "[ . 1 . 2]" 1 1208 1 65 LEU H 1 65 LEU HG . . 3.880 2.634 2.489 2.754 . 0 0 "[ . 1 . 2]" 1 1209 1 65 LEU H 1 66 ILE QG . . 5.340 4.553 4.038 4.979 . 0 0 "[ . 1 . 2]" 1 1210 1 65 LEU HA 1 65 LEU MD2 . . 3.400 2.405 2.167 2.553 . 0 0 "[ . 1 . 2]" 1 1211 1 65 LEU HA 1 65 LEU HG . . 3.880 3.262 3.190 3.407 . 0 0 "[ . 1 . 2]" 1 1212 1 65 LEU HA 1 66 ILE H . . 2.970 2.161 2.139 2.238 . 0 0 "[ . 1 . 2]" 1 1213 1 65 LEU HA 1 81 VAL HA . . 3.700 2.646 2.516 2.763 . 0 0 "[ . 1 . 2]" 1 1214 1 65 LEU HA 1 81 VAL QG . . 5.080 3.068 2.628 3.683 . 0 0 "[ . 1 . 2]" 1 1215 1 65 LEU HA 1 82 GLY H . . 4.520 3.533 3.397 3.674 . 0 0 "[ . 1 . 2]" 1 1216 1 65 LEU HA 1 87 VAL QG . . 5.020 4.268 3.475 4.978 . 0 0 "[ . 1 . 2]" 1 1217 1 65 LEU HB2 1 65 LEU MD1 . . 3.310 2.235 2.107 2.336 . 0 0 "[ . 1 . 2]" 1 1218 1 65 LEU HB2 1 65 LEU MD2 . . 3.540 3.175 3.156 3.192 . 0 0 "[ . 1 . 2]" 1 1219 1 65 LEU HB2 1 78 VAL MG1 . . 4.840 4.515 4.174 4.833 . 0 0 "[ . 1 . 2]" 1 1220 1 65 LEU HB3 1 65 LEU MD1 . . 3.330 2.469 2.370 2.575 . 0 0 "[ . 1 . 2]" 1 1221 1 65 LEU HB3 1 65 LEU MD2 . . 3.360 2.214 2.109 2.391 . 0 0 "[ . 1 . 2]" 1 1222 1 65 LEU HB3 1 66 ILE H . . 3.990 3.467 2.917 3.878 . 0 0 "[ . 1 . 2]" 1 1223 1 65 LEU HB3 1 78 VAL MG1 . . 3.880 3.208 2.825 3.581 . 0 0 "[ . 1 . 2]" 1 1224 1 65 LEU MD2 1 66 ILE H . . 4.480 4.066 3.861 4.335 . 0 0 "[ . 1 . 2]" 1 1225 1 65 LEU MD2 1 81 VAL HA . . 3.520 2.781 2.335 3.150 . 0 0 "[ . 1 . 2]" 1 1226 1 65 LEU MD2 1 82 GLY H . . 4.130 3.193 2.766 3.575 . 0 0 "[ . 1 . 2]" 1 1227 1 66 ILE H 1 66 ILE HB . . 3.400 2.668 2.529 2.894 . 0 0 "[ . 1 . 2]" 1 1228 1 66 ILE H 1 66 ILE MD . . 4.190 3.053 1.881 4.165 . 0 0 "[ . 1 . 2]" 1 1229 1 66 ILE H 1 66 ILE HG12 . . 4.210 3.121 1.970 4.157 . 0 0 "[ . 1 . 2]" 1 1230 1 66 ILE H 1 66 ILE QG . . 3.580 2.587 1.959 3.520 . 0 0 "[ . 1 . 2]" 1 1231 1 66 ILE H 1 66 ILE HG13 . . 4.210 3.215 2.091 3.869 . 0 0 "[ . 1 . 2]" 1 1232 1 66 ILE H 1 66 ILE MG . . 4.320 3.830 3.786 3.948 . 0 0 "[ . 1 . 2]" 1 1233 1 66 ILE H 1 78 VAL MG1 . . 4.380 3.697 3.361 4.028 . 0 0 "[ . 1 . 2]" 1 1234 1 66 ILE H 1 79 LEU H . . 5.150 4.495 4.122 4.852 . 0 0 "[ . 1 . 2]" 1 1235 1 66 ILE H 1 80 ARG H . . 3.770 3.352 3.180 3.631 . 0 0 "[ . 1 . 2]" 1 1236 1 66 ILE H 1 80 ARG QG . . 5.340 5.005 4.098 5.340 . 0 0 "[ . 1 . 2]" 1 1237 1 66 ILE H 1 81 VAL HA . . 4.710 3.425 3.119 3.689 . 0 0 "[ . 1 . 2]" 1 1238 1 66 ILE H 1 81 VAL QG . . 4.790 3.866 3.305 4.638 . 0 0 "[ . 1 . 2]" 1 1239 1 66 ILE H 1 87 VAL QG . . 4.670 4.322 3.915 4.673 0.003 13 0 "[ . 1 . 2]" 1 1240 1 66 ILE HA 1 66 ILE MD . . 3.820 2.998 1.982 3.854 0.034 11 0 "[ . 1 . 2]" 1 1241 1 66 ILE HA 1 66 ILE MG . . 3.310 2.313 2.123 2.467 . 0 0 "[ . 1 . 2]" 1 1242 1 66 ILE HA 1 67 CYS H . . 2.970 2.173 2.140 2.190 . 0 0 "[ . 1 . 2]" 1 1243 1 66 ILE HB 1 66 ILE MD . . 3.530 2.694 2.200 3.229 . 0 0 "[ . 1 . 2]" 1 1244 1 66 ILE HB 1 80 ARG H . . 3.650 2.517 2.214 2.957 . 0 0 "[ . 1 . 2]" 1 1245 1 66 ILE HB 1 80 ARG QB . . 3.420 2.427 1.989 3.014 . 0 0 "[ . 1 . 2]" 1 1246 1 66 ILE MD 1 67 CYS H . . 5.400 4.698 3.827 5.395 . 0 0 "[ . 1 . 2]" 1 1247 1 66 ILE MG 1 67 CYS H . . 3.530 3.111 2.752 3.267 . 0 0 "[ . 1 . 2]" 1 1248 1 67 CYS H 1 67 CYS HB2 . . 3.750 2.650 2.376 2.807 . 0 0 "[ . 1 . 2]" 1 1249 1 67 CYS H 1 67 CYS HB3 . . 4.060 3.728 3.610 3.789 . 0 0 "[ . 1 . 2]" 1 1250 1 67 CYS H 1 67 CYS HG . . 3.870 2.930 2.469 3.865 . 0 0 "[ . 1 . 2]" 1 1251 1 67 CYS H 1 68 HIS H . . 4.650 4.510 4.489 4.534 . 0 0 "[ . 1 . 2]" 1 1252 1 67 CYS H 1 79 LEU QD . . 5.440 4.889 4.189 5.180 . 0 0 "[ . 1 . 2]" 1 1253 1 67 CYS HA 1 68 HIS H . . 3.120 2.432 2.363 2.474 . 0 0 "[ . 1 . 2]" 1 1254 1 67 CYS HA 1 76 VAL MG1 . . 4.590 3.968 3.679 4.250 . 0 0 "[ . 1 . 2]" 1 1255 1 67 CYS HA 1 78 VAL HA . . 3.390 2.047 1.997 2.163 . 0 0 "[ . 1 . 2]" 1 1256 1 67 CYS HA 1 79 LEU H . . 3.400 2.303 1.895 2.922 . 0 0 "[ . 1 . 2]" 1 1257 1 67 CYS HA 1 79 LEU QB . . 4.410 3.430 2.967 4.251 . 0 0 "[ . 1 . 2]" 1 1258 1 67 CYS HA 1 79 LEU QD . . 4.510 3.669 2.452 4.146 . 0 0 "[ . 1 . 2]" 1 1259 1 67 CYS HA 1 79 LEU HG . . 4.360 3.777 2.573 4.340 . 0 0 "[ . 1 . 2]" 1 1260 1 67 CYS HA 1 80 ARG H . . 4.770 4.162 3.802 4.543 . 0 0 "[ . 1 . 2]" 1 1261 1 67 CYS HB2 1 68 HIS H . . 4.000 3.443 3.207 3.855 . 0 0 "[ . 1 . 2]" 1 1262 1 67 CYS HB2 1 69 ILE MD . . 5.210 4.941 4.697 5.198 . 0 0 "[ . 1 . 2]" 1 1263 1 67 CYS HB2 1 69 ILE HG13 . . 5.280 4.245 3.904 4.703 . 0 0 "[ . 1 . 2]" 1 1264 1 67 CYS HB2 1 76 VAL MG1 . . 3.530 2.618 2.170 3.149 . 0 0 "[ . 1 . 2]" 1 1265 1 67 CYS HB2 1 78 VAL HA . . 4.490 4.046 3.716 4.484 . 0 0 "[ . 1 . 2]" 1 1266 1 67 CYS HB3 1 68 HIS H . . 3.790 2.434 2.281 2.612 . 0 0 "[ . 1 . 2]" 1 1267 1 67 CYS HB3 1 76 VAL MG1 . . 3.340 2.058 1.901 2.279 . 0 0 "[ . 1 . 2]" 1 1268 1 67 CYS HB3 1 76 VAL MG2 . . 5.500 4.508 3.990 4.841 . 0 0 "[ . 1 . 2]" 1 1269 1 67 CYS HB3 1 78 VAL HA . . 4.440 2.857 2.298 3.747 . 0 0 "[ . 1 . 2]" 1 1270 1 68 HIS H 1 68 HIS HB2 . . 3.940 2.940 2.817 3.253 . 0 0 "[ . 1 . 2]" 1 1271 1 68 HIS H 1 68 HIS HB3 . . 3.790 2.716 2.566 2.900 . 0 0 "[ . 1 . 2]" 1 1272 1 68 HIS H 1 76 VAL HA . . 5.050 4.227 4.041 4.496 . 0 0 "[ . 1 . 2]" 1 1273 1 68 HIS H 1 76 VAL MG1 . . 4.470 3.024 2.639 3.435 . 0 0 "[ . 1 . 2]" 1 1274 1 68 HIS H 1 77 LEU H . . 4.280 2.810 2.410 3.218 . 0 0 "[ . 1 . 2]" 1 1275 1 68 HIS H 1 77 LEU HB3 . . 4.270 3.773 3.360 4.059 . 0 0 "[ . 1 . 2]" 1 1276 1 68 HIS H 1 78 VAL HA . . 4.360 3.459 3.210 3.741 . 0 0 "[ . 1 . 2]" 1 1277 1 68 HIS H 1 79 LEU H . . 4.640 4.186 3.679 4.641 0.001 8 0 "[ . 1 . 2]" 1 1278 1 68 HIS H 1 79 LEU QD . . 4.600 3.681 2.225 4.282 . 0 0 "[ . 1 . 2]" 1 1279 1 68 HIS H 1 79 LEU HG . . 4.550 3.842 2.821 4.475 . 0 0 "[ . 1 . 2]" 1 1280 1 68 HIS HA 1 68 HIS HD2 . . 4.130 2.373 2.207 2.822 . 0 0 "[ . 1 . 2]" 1 1281 1 68 HIS HA 1 69 ILE H . . 3.260 2.152 2.140 2.179 . 0 0 "[ . 1 . 2]" 1 1282 1 68 HIS HA 1 69 ILE HG13 . . 4.600 3.893 3.746 4.041 . 0 0 "[ . 1 . 2]" 1 1283 1 68 HIS HA 1 79 LEU QD . . 4.450 3.673 2.762 4.105 . 0 0 "[ . 1 . 2]" 1 1284 1 68 HIS HB2 1 77 LEU HB3 . . 4.470 4.403 4.239 4.475 0.005 15 0 "[ . 1 . 2]" 1 1285 1 68 HIS HB2 1 77 LEU QD . . 4.340 4.037 3.435 4.235 . 0 0 "[ . 1 . 2]" 1 1286 1 68 HIS HB2 1 79 LEU MD1 . . 4.680 2.290 1.910 3.856 . 0 0 "[ . 1 . 2]" 1 1287 1 68 HIS HB2 1 79 LEU QD . . 3.570 2.110 1.809 2.446 . 0 0 "[ . 1 . 2]" 1 1288 1 68 HIS HB2 1 79 LEU MD2 . . 4.680 3.490 2.141 4.130 . 0 0 "[ . 1 . 2]" 1 1289 1 68 HIS HB3 1 77 LEU H . . 4.860 3.353 3.180 3.580 . 0 0 "[ . 1 . 2]" 1 1290 1 68 HIS HB3 1 77 LEU HB2 . . 4.710 4.659 4.394 4.713 0.003 5 0 "[ . 1 . 2]" 1 1291 1 68 HIS HB3 1 77 LEU HB3 . . 3.640 2.951 2.770 3.179 . 0 0 "[ . 1 . 2]" 1 1292 1 68 HIS HB3 1 77 LEU QD . . 3.940 3.292 3.081 3.623 . 0 0 "[ . 1 . 2]" 1 1293 1 68 HIS HB3 1 79 LEU MD1 . . 4.880 3.610 3.028 4.482 . 0 0 "[ . 1 . 2]" 1 1294 1 68 HIS HB3 1 79 LEU QD . . 3.960 3.249 2.499 3.546 . 0 0 "[ . 1 . 2]" 1 1295 1 68 HIS HB3 1 79 LEU MD2 . . 4.880 4.054 2.512 4.808 . 0 0 "[ . 1 . 2]" 1 1296 1 68 HIS HD2 1 69 ILE H . . 4.210 2.783 2.123 3.125 . 0 0 "[ . 1 . 2]" 1 1297 1 68 HIS HE1 1 70 GLN QE . . 4.520 3.713 3.124 4.519 . 0 0 "[ . 1 . 2]" 1 1298 1 68 HIS HE1 1 70 GLN QG . . 4.430 3.730 2.756 4.431 0.001 11 0 "[ . 1 . 2]" 1 1299 1 69 ILE H 1 69 ILE HB . . 3.660 2.487 2.448 2.523 . 0 0 "[ . 1 . 2]" 1 1300 1 69 ILE H 1 69 ILE MD . . 4.610 3.579 3.401 3.799 . 0 0 "[ . 1 . 2]" 1 1301 1 69 ILE H 1 69 ILE HG12 . . 4.630 3.643 3.490 3.851 . 0 0 "[ . 1 . 2]" 1 1302 1 69 ILE H 1 69 ILE HG13 . . 4.060 2.333 2.198 2.562 . 0 0 "[ . 1 . 2]" 1 1303 1 69 ILE HA 1 69 ILE MD . . 3.930 3.848 3.799 3.885 . 0 0 "[ . 1 . 2]" 1 1304 1 69 ILE HA 1 69 ILE HG12 . . 3.840 2.582 2.475 2.680 . 0 0 "[ . 1 . 2]" 1 1305 1 69 ILE HA 1 69 ILE HG13 . . 3.940 2.922 2.782 3.023 . 0 0 "[ . 1 . 2]" 1 1306 1 69 ILE HA 1 69 ILE MG . . 3.260 2.407 2.302 2.475 . 0 0 "[ . 1 . 2]" 1 1307 1 69 ILE HA 1 70 GLN H . . 2.990 2.143 2.140 2.157 . 0 0 "[ . 1 . 2]" 1 1308 1 69 ILE HA 1 76 VAL MG2 . . 3.750 2.729 2.304 3.155 . 0 0 "[ . 1 . 2]" 1 1309 1 69 ILE HB 1 69 ILE MD . . 3.370 2.370 2.198 2.494 . 0 0 "[ . 1 . 2]" 1 1310 1 69 ILE MD 1 69 ILE MG . . 3.080 2.091 1.904 2.219 . 0 0 "[ . 1 . 2]" 1 1311 1 69 ILE MD 1 76 VAL MG1 . . 4.030 3.922 3.632 4.034 0.004 19 0 "[ . 1 . 2]" 1 1312 1 69 ILE MD 1 76 VAL MG2 . . 3.800 3.487 3.084 3.706 . 0 0 "[ . 1 . 2]" 1 1313 1 69 ILE HG12 1 69 ILE MG . . 3.690 2.266 2.170 2.385 . 0 0 "[ . 1 . 2]" 1 1314 1 69 ILE HG12 1 70 GLN H . . 4.490 4.476 4.407 4.493 0.003 4 0 "[ . 1 . 2]" 1 1315 1 69 ILE HG13 1 69 ILE MG . . 3.640 3.187 3.170 3.201 . 0 0 "[ . 1 . 2]" 1 1316 1 69 ILE MG 1 70 GLN H . . 3.830 2.678 2.350 3.034 . 0 0 "[ . 1 . 2]" 1 1317 1 69 ILE MG 1 70 GLN HA . . 4.550 3.756 3.562 3.868 . 0 0 "[ . 1 . 2]" 1 1318 1 69 ILE MG 1 71 ASP HA . . 4.470 3.554 3.417 3.816 . 0 0 "[ . 1 . 2]" 1 1319 1 69 ILE MG 1 71 ASP QB . . 5.340 4.046 3.426 4.754 . 0 0 "[ . 1 . 2]" 1 1320 1 70 GLN H 1 70 GLN HB2 . . 3.510 2.418 2.304 2.504 . 0 0 "[ . 1 . 2]" 1 1321 1 70 GLN H 1 70 GLN HB3 . . 4.140 3.638 3.562 3.686 . 0 0 "[ . 1 . 2]" 1 1322 1 70 GLN H 1 70 GLN HG2 . . 4.410 4.066 3.608 4.402 . 0 0 "[ . 1 . 2]" 1 1323 1 70 GLN H 1 70 GLN QG . . 3.600 3.023 2.631 3.601 0.001 18 0 "[ . 1 . 2]" 1 1324 1 70 GLN H 1 70 GLN HG3 . . 4.410 3.128 2.682 3.822 . 0 0 "[ . 1 . 2]" 1 1325 1 70 GLN H 1 75 THR H . . 4.550 3.188 2.980 3.653 . 0 0 "[ . 1 . 2]" 1 1326 1 70 GLN H 1 75 THR HB . . 4.800 4.404 4.124 4.744 . 0 0 "[ . 1 . 2]" 1 1327 1 70 GLN HA 1 70 GLN HG2 . . 3.830 2.628 2.284 3.516 . 0 0 "[ . 1 . 2]" 1 1328 1 70 GLN HA 1 70 GLN HG3 . . 3.830 2.866 2.203 3.269 . 0 0 "[ . 1 . 2]" 1 1329 1 70 GLN HA 1 71 ASP H . . 3.480 2.220 2.141 2.266 . 0 0 "[ . 1 . 2]" 1 1330 1 70 GLN HA 1 75 THR H . . 5.290 4.630 4.449 4.976 . 0 0 "[ . 1 . 2]" 1 1331 1 70 GLN HB2 1 75 THR H . . 3.730 2.608 2.369 3.057 . 0 0 "[ . 1 . 2]" 1 1332 1 70 GLN HB2 1 75 THR HA . . 5.300 4.678 4.409 4.979 . 0 0 "[ . 1 . 2]" 1 1333 1 70 GLN HB2 1 75 THR HB . . 3.930 2.852 2.526 3.299 . 0 0 "[ . 1 . 2]" 1 1334 1 70 GLN HB3 1 75 THR H . . 4.350 3.593 3.360 3.869 . 0 0 "[ . 1 . 2]" 1 1335 1 70 GLN QE 1 77 LEU QD . . 4.080 3.290 2.595 4.051 . 0 0 "[ . 1 . 2]" 1 1336 1 71 ASP H 1 71 ASP QB . . 3.590 2.348 2.148 2.608 . 0 0 "[ . 1 . 2]" 1 1337 1 71 ASP HA 1 74 ALA H . . 4.030 2.980 2.770 3.197 . 0 0 "[ . 1 . 2]" 1 1338 1 71 ASP HA 1 74 ALA HA . . 4.050 2.808 2.619 2.967 . 0 0 "[ . 1 . 2]" 1 1339 1 71 ASP HA 1 74 ALA MB . . 4.650 3.723 3.506 3.859 . 0 0 "[ . 1 . 2]" 1 1340 1 71 ASP HA 1 75 THR H . . 5.500 4.477 4.281 4.656 . 0 0 "[ . 1 . 2]" 1 1341 1 72 ARG HA 1 72 ARG QD . . 4.850 3.350 2.079 4.417 . 0 0 "[ . 1 . 2]" 1 1342 1 72 ARG HA 1 72 ARG QG . . 3.520 2.654 2.175 3.342 . 0 0 "[ . 1 . 2]" 1 1343 1 72 ARG HA 1 74 ALA H . . 4.810 4.347 3.961 4.456 . 0 0 "[ . 1 . 2]" 1 1344 1 72 ARG QB 1 73 GLU H . . 4.040 2.472 2.119 3.381 . 0 0 "[ . 1 . 2]" 1 1345 1 73 GLU H 1 73 GLU HB2 . . 4.090 2.518 2.355 2.659 . 0 0 "[ . 1 . 2]" 1 1346 1 73 GLU H 1 73 GLU QB . . 3.240 2.477 2.326 2.608 . 0 0 "[ . 1 . 2]" 1 1347 1 73 GLU H 1 73 GLU HB3 . . 4.090 3.678 3.601 3.771 . 0 0 "[ . 1 . 2]" 1 1348 1 73 GLU H 1 73 GLU QG . . 3.320 3.248 2.750 3.325 0.005 5 0 "[ . 1 . 2]" 1 1349 1 73 GLU HA 1 73 GLU HG2 . . 3.720 2.715 2.333 3.572 . 0 0 "[ . 1 . 2]" 1 1350 1 73 GLU HA 1 73 GLU QG . . 3.250 2.516 2.249 2.959 . 0 0 "[ . 1 . 2]" 1 1351 1 73 GLU HA 1 73 GLU HG3 . . 3.720 3.280 2.446 3.700 . 0 0 "[ . 1 . 2]" 1 1352 1 73 GLU HA 1 74 ALA MB . . 4.530 3.821 3.752 3.934 . 0 0 "[ . 1 . 2]" 1 1353 1 73 GLU QB 1 74 ALA H . . 3.880 3.687 3.348 3.802 . 0 0 "[ . 1 . 2]" 1 1354 1 73 GLU QB 1 75 THR H . . 4.270 3.615 3.135 3.823 . 0 0 "[ . 1 . 2]" 1 1355 1 73 GLU QB 1 75 THR HB . . 3.510 3.262 2.864 3.492 . 0 0 "[ . 1 . 2]" 1 1356 1 73 GLU HB2 1 74 ALA H . . 4.460 4.000 3.530 4.168 . 0 0 "[ . 1 . 2]" 1 1357 1 73 GLU HB2 1 75 THR HB . . 4.260 3.479 3.007 3.709 . 0 0 "[ . 1 . 2]" 1 1358 1 73 GLU HB3 1 74 ALA H . . 4.460 4.327 4.160 4.480 0.020 5 0 "[ . 1 . 2]" 1 1359 1 73 GLU HB3 1 75 THR HB . . 4.260 4.016 3.150 4.260 . 0 0 "[ . 1 . 2]" 1 1360 1 74 ALA H 1 74 ALA HA . . 2.940 2.301 2.282 2.317 . 0 0 "[ . 1 . 2]" 1 1361 1 74 ALA H 1 74 ALA MB . . 3.330 2.717 2.622 2.779 . 0 0 "[ . 1 . 2]" 1 1362 1 74 ALA HA 1 75 THR H . . 3.410 2.690 2.638 2.801 . 0 0 "[ . 1 . 2]" 1 1363 1 74 ALA MB 1 75 THR H . . 4.210 3.710 3.684 3.718 . 0 0 "[ . 1 . 2]" 1 1364 1 75 THR H 1 75 THR HB . . 3.540 2.609 2.533 2.868 . 0 0 "[ . 1 . 2]" 1 1365 1 75 THR H 1 75 THR MG . . 4.590 3.823 3.773 3.954 . 0 0 "[ . 1 . 2]" 1 1366 1 75 THR HA 1 75 THR MG . . 3.310 2.426 2.204 2.521 . 0 0 "[ . 1 . 2]" 1 1367 1 75 THR HA 1 76 VAL H . . 2.970 2.169 2.142 2.260 . 0 0 "[ . 1 . 2]" 1 1368 1 75 THR HA 1 76 VAL HB . . 5.500 4.668 4.576 4.750 . 0 0 "[ . 1 . 2]" 1 1369 1 75 THR HA 1 76 VAL MG2 . . 4.450 3.570 3.417 3.731 . 0 0 "[ . 1 . 2]" 1 1370 1 75 THR HB 1 76 VAL H . . 4.590 4.177 3.775 4.294 . 0 0 "[ . 1 . 2]" 1 1371 1 75 THR MG 1 76 VAL H . . 3.400 2.432 1.994 2.752 . 0 0 "[ . 1 . 2]" 1 1372 1 75 THR MG 1 76 VAL HA . . 4.310 3.741 3.502 3.971 . 0 0 "[ . 1 . 2]" 1 1373 1 75 THR MG 1 77 LEU H . . 4.410 4.051 3.596 4.410 0.000 5 0 "[ . 1 . 2]" 1 1374 1 75 THR MG 1 77 LEU HA . . 4.400 4.095 3.881 4.260 . 0 0 "[ . 1 . 2]" 1 1375 1 76 VAL H 1 76 VAL HB . . 3.510 2.583 2.536 2.630 . 0 0 "[ . 1 . 2]" 1 1376 1 76 VAL H 1 76 VAL MG1 . . 4.470 3.820 3.797 3.835 . 0 0 "[ . 1 . 2]" 1 1377 1 76 VAL H 1 76 VAL MG2 . . 3.610 2.517 2.240 2.783 . 0 0 "[ . 1 . 2]" 1 1378 1 76 VAL HA 1 76 VAL MG1 . . 3.240 2.339 2.210 2.470 . 0 0 "[ . 1 . 2]" 1 1379 1 76 VAL HA 1 76 VAL MG2 . . 3.170 2.394 2.285 2.510 . 0 0 "[ . 1 . 2]" 1 1380 1 76 VAL HA 1 77 LEU H . . 2.980 2.161 2.142 2.206 . 0 0 "[ . 1 . 2]" 1 1381 1 76 VAL MG1 1 77 LEU H . . 3.880 2.554 1.987 3.036 . 0 0 "[ . 1 . 2]" 1 1382 1 76 VAL MG2 1 77 LEU H . . 4.530 4.106 3.978 4.246 . 0 0 "[ . 1 . 2]" 1 1383 1 77 LEU H 1 77 LEU HB2 . . 3.820 3.143 2.805 3.359 . 0 0 "[ . 1 . 2]" 1 1384 1 77 LEU H 1 77 LEU HB3 . . 3.600 2.501 2.350 2.742 . 0 0 "[ . 1 . 2]" 1 1385 1 77 LEU H 1 77 LEU QD . . 4.550 3.837 3.622 3.944 . 0 0 "[ . 1 . 2]" 1 1386 1 77 LEU H 1 78 VAL H . . 4.790 4.288 4.162 4.415 . 0 0 "[ . 1 . 2]" 1 1387 1 77 LEU HA 1 77 LEU QD . . 3.350 2.623 2.332 3.131 . 0 0 "[ . 1 . 2]" 1 1388 1 77 LEU HA 1 78 VAL H . . 2.960 2.144 2.139 2.157 . 0 0 "[ . 1 . 2]" 1 1389 1 77 LEU HA 1 78 VAL MG2 . . 4.030 3.629 3.503 3.769 . 0 0 "[ . 1 . 2]" 1 1390 1 77 LEU HB2 1 77 LEU MD1 . . 3.600 2.121 1.994 2.284 . 0 0 "[ . 1 . 2]" 1 1391 1 77 LEU HB2 1 77 LEU MD2 . . 3.600 2.719 2.540 3.142 . 0 0 "[ . 1 . 2]" 1 1392 1 77 LEU HB2 1 78 VAL H . . 4.380 4.212 4.080 4.320 . 0 0 "[ . 1 . 2]" 1 1393 1 77 LEU HB3 1 77 LEU MD1 . . 3.480 3.046 2.560 3.170 . 0 0 "[ . 1 . 2]" 1 1394 1 77 LEU HB3 1 77 LEU MD2 . . 3.480 2.128 2.038 2.220 . 0 0 "[ . 1 . 2]" 1 1395 1 77 LEU HB3 1 78 VAL H . . 4.710 4.344 4.178 4.452 . 0 0 "[ . 1 . 2]" 1 1396 1 77 LEU QD 1 78 VAL H . . 3.400 3.088 2.705 3.343 . 0 0 "[ . 1 . 2]" 1 1397 1 77 LEU MD1 1 78 VAL H . . 4.790 3.332 2.723 4.567 . 0 0 "[ . 1 . 2]" 1 1398 1 77 LEU MD2 1 78 VAL H . . 4.790 4.413 3.087 4.791 0.001 15 0 "[ . 1 . 2]" 1 1399 1 77 LEU HG 1 78 VAL H . . 4.930 3.113 2.698 3.368 . 0 0 "[ . 1 . 2]" 1 1400 1 78 VAL H 1 78 VAL HB . . 3.330 2.600 2.495 2.746 . 0 0 "[ . 1 . 2]" 1 1401 1 78 VAL H 1 78 VAL MG1 . . 4.130 3.767 3.742 3.787 . 0 0 "[ . 1 . 2]" 1 1402 1 78 VAL H 1 78 VAL MG2 . . 3.130 2.134 1.912 2.329 . 0 0 "[ . 1 . 2]" 1 1403 1 78 VAL HA 1 78 VAL MG1 . . 3.230 2.374 2.177 2.448 . 0 0 "[ . 1 . 2]" 1 1404 1 78 VAL HA 1 78 VAL MG2 . . 3.270 2.401 2.293 2.463 . 0 0 "[ . 1 . 2]" 1 1405 1 78 VAL HA 1 79 LEU H . . 2.970 2.194 2.140 2.353 . 0 0 "[ . 1 . 2]" 1 1406 1 78 VAL HA 1 80 ARG H . . 4.380 4.264 4.008 4.379 . 0 0 "[ . 1 . 2]" 1 1407 1 78 VAL HB 1 81 VAL QG . . 5.110 4.280 3.692 5.100 . 0 0 "[ . 1 . 2]" 1 1408 1 78 VAL MG1 1 79 LEU H . . 3.720 2.339 1.837 2.850 . 0 0 "[ . 1 . 2]" 1 1409 1 78 VAL MG1 1 80 ARG H . . 3.690 2.869 2.604 3.135 . 0 0 "[ . 1 . 2]" 1 1410 1 78 VAL MG1 1 81 VAL H . . 4.800 4.412 4.208 4.570 . 0 0 "[ . 1 . 2]" 1 1411 1 78 VAL MG1 1 81 VAL HA . . 4.640 4.083 3.849 4.253 . 0 0 "[ . 1 . 2]" 1 1412 1 78 VAL MG1 1 81 VAL HB . . 4.030 3.546 2.663 4.050 0.020 20 0 "[ . 1 . 2]" 1 1413 1 78 VAL MG1 1 81 VAL QG . . 3.180 2.346 1.787 3.207 0.027 4 0 "[ . 1 . 2]" 1 1414 1 78 VAL MG2 1 79 LEU H . . 4.310 4.035 3.851 4.222 . 0 0 "[ . 1 . 2]" 1 1415 1 79 LEU H 1 79 LEU HB2 . . 4.110 2.354 2.173 2.740 . 0 0 "[ . 1 . 2]" 1 1416 1 79 LEU H 1 79 LEU QB . . 3.460 2.323 2.152 2.683 . 0 0 "[ . 1 . 2]" 1 1417 1 79 LEU H 1 79 LEU HB3 . . 4.110 3.584 3.474 3.826 . 0 0 "[ . 1 . 2]" 1 1418 1 79 LEU H 1 79 LEU MD1 . . 4.300 3.928 3.617 4.174 . 0 0 "[ . 1 . 2]" 1 1419 1 79 LEU H 1 79 LEU MD2 . . 4.300 3.927 2.381 4.265 . 0 0 "[ . 1 . 2]" 1 1420 1 79 LEU H 1 79 LEU HG . . 3.960 3.296 2.725 3.902 . 0 0 "[ . 1 . 2]" 1 1421 1 79 LEU H 1 80 ARG H . . 3.170 2.318 1.965 2.633 . 0 0 "[ . 1 . 2]" 1 1422 1 79 LEU HA 1 79 LEU MD1 . . 4.450 3.696 2.301 3.946 . 0 0 "[ . 1 . 2]" 1 1423 1 79 LEU HA 1 79 LEU QD . . 2.960 2.060 1.911 2.262 . 0 0 "[ . 1 . 2]" 1 1424 1 79 LEU HA 1 79 LEU MD2 . . 4.450 2.083 1.967 2.276 . 0 0 "[ . 1 . 2]" 1 1425 1 79 LEU QB 1 79 LEU QD . . 2.870 1.917 1.846 2.057 . 0 0 "[ . 1 . 2]" 1 1426 1 79 LEU QB 1 80 ARG H . . 3.160 2.390 2.242 2.594 . 0 0 "[ . 1 . 2]" 1 1427 1 79 LEU HB2 1 80 ARG H . . 3.880 2.492 2.272 2.684 . 0 0 "[ . 1 . 2]" 1 1428 1 79 LEU HB3 1 80 ARG H . . 3.880 3.123 2.874 3.672 . 0 0 "[ . 1 . 2]" 1 1429 1 79 LEU QD 1 80 ARG H . . 4.660 3.921 3.750 4.100 . 0 0 "[ . 1 . 2]" 1 1430 1 80 ARG HA 1 80 ARG HD2 . . 4.320 2.979 1.990 4.294 . 0 0 "[ . 1 . 2]" 1 1431 1 80 ARG HA 1 80 ARG QD . . 3.530 2.321 1.977 3.506 . 0 0 "[ . 1 . 2]" 1 1432 1 80 ARG HA 1 80 ARG HD3 . . 4.320 2.946 1.997 3.994 . 0 0 "[ . 1 . 2]" 1 1433 1 80 ARG HA 1 80 ARG HG2 . . 4.250 3.241 2.484 3.818 . 0 0 "[ . 1 . 2]" 1 1434 1 80 ARG HA 1 80 ARG QG . . 3.720 2.644 2.372 3.001 . 0 0 "[ . 1 . 2]" 1 1435 1 80 ARG HA 1 80 ARG HG3 . . 4.250 3.179 2.405 3.766 . 0 0 "[ . 1 . 2]" 1 1436 1 80 ARG HA 1 81 VAL H . . 2.950 2.300 2.185 2.414 . 0 0 "[ . 1 . 2]" 1 1437 1 80 ARG HA 1 81 VAL QG . . 4.430 3.586 3.321 3.860 . 0 0 "[ . 1 . 2]" 1 1438 1 80 ARG QB 1 80 ARG QD . . 3.290 2.408 2.077 2.701 . 0 0 "[ . 1 . 2]" 1 1439 1 80 ARG QB 1 81 VAL H . . 3.650 3.051 2.372 3.656 0.006 15 0 "[ . 1 . 2]" 1 1440 1 80 ARG HB2 1 81 VAL H . . 4.180 3.978 3.637 4.157 . 0 0 "[ . 1 . 2]" 1 1441 1 80 ARG HB3 1 81 VAL H . . 4.180 3.228 2.404 4.131 . 0 0 "[ . 1 . 2]" 1 1442 1 80 ARG QD 1 81 VAL H . . 4.560 3.070 2.293 4.440 . 0 0 "[ . 1 . 2]" 1 1443 1 80 ARG QG 1 81 VAL H . . 4.210 3.059 1.907 4.224 0.014 7 0 "[ . 1 . 2]" 1 1444 1 80 ARG HG2 1 81 VAL H . . 4.940 4.115 2.084 4.729 . 0 0 "[ . 1 . 2]" 1 1445 1 80 ARG HG3 1 81 VAL H . . 4.940 3.431 1.914 4.944 0.004 4 0 "[ . 1 . 2]" 1 1446 1 81 VAL H 1 81 VAL HB . . 3.590 2.958 2.654 3.362 . 0 0 "[ . 1 . 2]" 1 1447 1 81 VAL H 1 81 VAL MG1 . . 4.130 3.305 2.173 3.927 . 0 0 "[ . 1 . 2]" 1 1448 1 81 VAL H 1 81 VAL QG . . 3.450 2.724 2.163 3.097 . 0 0 "[ . 1 . 2]" 1 1449 1 81 VAL H 1 81 VAL MG2 . . 4.130 3.406 2.855 4.012 . 0 0 "[ . 1 . 2]" 1 1450 1 81 VAL H 1 82 GLY H . . 4.790 4.065 3.992 4.223 . 0 0 "[ . 1 . 2]" 1 1451 1 81 VAL HA 1 81 VAL MG1 . . 3.410 2.698 2.320 3.192 . 0 0 "[ . 1 . 2]" 1 1452 1 81 VAL HA 1 81 VAL MG2 . . 3.410 2.300 2.098 2.403 . 0 0 "[ . 1 . 2]" 1 1453 1 81 VAL HA 1 82 GLY H . . 3.000 2.146 2.144 2.151 . 0 0 "[ . 1 . 2]" 1 1454 1 81 VAL HB 1 82 GLY H . . 4.670 4.369 4.286 4.438 . 0 0 "[ . 1 . 2]" 1 1455 1 81 VAL QG 1 82 GLY H . . 3.550 2.722 2.435 2.893 . 0 0 "[ . 1 . 2]" 1 1456 1 81 VAL QG 1 82 GLY QA . . 4.420 3.149 3.048 3.292 . 0 0 "[ . 1 . 2]" 1 1457 1 81 VAL MG1 1 82 GLY H . . 4.140 3.213 2.460 4.083 . 0 0 "[ . 1 . 2]" 1 1458 1 81 VAL MG2 1 82 GLY H . . 4.140 3.573 2.551 4.115 . 0 0 "[ . 1 . 2]" 1 1459 1 82 GLY H 1 87 VAL MG1 . . 5.210 4.747 3.856 5.214 0.004 11 0 "[ . 1 . 2]" 1 1460 1 82 GLY H 1 87 VAL QG . . 4.560 2.946 2.314 3.816 . 0 0 "[ . 1 . 2]" 1 1461 1 82 GLY H 1 87 VAL MG2 . . 5.210 3.008 2.324 4.156 . 0 0 "[ . 1 . 2]" 1 1462 1 82 GLY QA 1 86 ASP QB . . 4.600 3.067 2.154 4.262 . 0 0 "[ . 1 . 2]" 1 1463 1 82 GLY QA 1 87 VAL QG . . 3.940 2.652 1.989 3.629 . 0 0 "[ . 1 . 2]" 1 1464 1 83 HIS H 1 83 HIS QB . . 3.650 2.234 2.196 2.258 . 0 0 "[ . 1 . 2]" 1 1465 1 83 HIS HA 1 84 ALA H . . 3.160 2.295 2.166 2.403 . 0 0 "[ . 1 . 2]" 1 1466 1 83 HIS HA 1 84 ALA MB . . 4.350 4.093 3.995 4.176 . 0 0 "[ . 1 . 2]" 1 1467 1 83 HIS QB 1 83 HIS HD2 . . 3.710 2.684 2.626 2.872 . 0 0 "[ . 1 . 2]" 1 1468 1 83 HIS QB 1 84 ALA H . . 4.090 3.433 3.209 3.706 . 0 0 "[ . 1 . 2]" 1 1469 1 83 HIS QB 1 85 ARG QG . . 4.560 3.533 2.029 4.568 0.008 13 0 "[ . 1 . 2]" 1 1470 1 83 HIS QB 1 86 ASP H . . 4.120 2.671 1.927 3.375 . 0 0 "[ . 1 . 2]" 1 1471 1 83 HIS HE1 1 84 ALA MB . . 4.290 3.066 2.509 4.113 . 0 0 "[ . 1 . 2]" 1 1472 1 83 HIS HE1 1 85 ARG QB . . 4.190 3.600 2.086 4.193 0.003 17 0 "[ . 1 . 2]" 1 1473 1 83 HIS HE1 1 85 ARG QG . . 4.220 3.424 2.155 4.225 0.005 13 0 "[ . 1 . 2]" 1 1474 1 84 ALA H 1 84 ALA MB . . 3.240 2.143 2.044 2.280 . 0 0 "[ . 1 . 2]" 1 1475 1 84 ALA HA 1 87 VAL HB . . 4.610 3.569 2.518 4.568 . 0 0 "[ . 1 . 2]" 1 1476 1 84 ALA HA 1 87 VAL QG . . 4.000 3.339 1.828 4.002 0.002 17 0 "[ . 1 . 2]" 1 1477 1 85 ARG HA 1 85 ARG QG . . 3.660 3.009 2.327 3.464 . 0 0 "[ . 1 . 2]" 1 1478 1 85 ARG QG 1 86 ASP H . . 4.180 2.929 1.779 4.120 . 0 0 "[ . 1 . 2]" 1 1479 1 86 ASP H 1 86 ASP QB . . 3.100 2.293 2.189 2.603 . 0 0 "[ . 1 . 2]" 1 1480 1 86 ASP H 1 87 VAL H . . 3.380 2.873 2.080 3.162 . 0 0 "[ . 1 . 2]" 1 1481 1 86 ASP QB 1 87 VAL H . . 3.560 2.180 1.892 3.030 . 0 0 "[ . 1 . 2]" 1 1482 1 86 ASP QB 1 87 VAL HA . . 4.660 3.911 3.662 4.152 . 0 0 "[ . 1 . 2]" 1 1483 1 86 ASP QB 1 87 VAL MG1 . . 5.200 4.794 3.886 5.137 . 0 0 "[ . 1 . 2]" 1 1484 1 86 ASP QB 1 87 VAL QG . . 3.950 3.141 2.713 3.950 0.000 14 0 "[ . 1 . 2]" 1 1485 1 86 ASP QB 1 87 VAL MG2 . . 5.200 3.382 2.727 5.146 . 0 0 "[ . 1 . 2]" 1 1486 1 87 VAL H 1 87 VAL HB . . 3.320 2.568 2.362 2.847 . 0 0 "[ . 1 . 2]" 1 1487 1 87 VAL H 1 87 VAL MG1 . . 4.080 3.501 2.303 3.790 . 0 0 "[ . 1 . 2]" 1 1488 1 87 VAL H 1 87 VAL QG . . 3.130 2.195 1.883 2.713 . 0 0 "[ . 1 . 2]" 1 1489 1 87 VAL H 1 87 VAL MG2 . . 4.080 2.473 1.888 3.769 . 0 0 "[ . 1 . 2]" 1 1490 1 87 VAL H 1 88 TYR H . . 4.800 4.048 2.820 4.645 . 0 0 "[ . 1 . 2]" 1 1491 1 87 VAL HA 1 87 VAL MG1 . . 3.330 2.540 2.114 3.200 . 0 0 "[ . 1 . 2]" 1 1492 1 87 VAL HA 1 87 VAL QG . . 2.860 2.128 2.016 2.340 . 0 0 "[ . 1 . 2]" 1 1493 1 87 VAL HA 1 87 VAL MG2 . . 3.330 2.348 2.153 2.546 . 0 0 "[ . 1 . 2]" 1 1494 1 87 VAL HB 1 88 TYR H . . 4.500 3.595 2.048 4.316 . 0 0 "[ . 1 . 2]" 1 1495 1 87 VAL QG 1 88 TYR H . . 4.220 2.279 1.869 3.131 . 0 0 "[ . 1 . 2]" 1 1496 1 87 VAL QG 1 88 TYR HA . . 4.250 3.798 3.324 4.135 . 0 0 "[ . 1 . 2]" 1 1497 1 87 VAL QG 1 88 TYR QD . . 4.100 3.260 2.062 3.986 . 0 0 "[ . 1 . 2]" 1 1498 1 87 VAL QG 1 89 ARG H . . 5.170 4.381 1.735 5.156 . 0 0 "[ . 1 . 2]" 1 1499 1 88 TYR H 1 88 TYR HB2 . . 4.200 2.929 2.453 4.051 . 0 0 "[ . 1 . 2]" 1 1500 1 88 TYR H 1 88 TYR QB . . 3.600 2.511 2.139 3.096 . 0 0 "[ . 1 . 2]" 1 1501 1 88 TYR H 1 88 TYR HB3 . . 4.200 2.987 2.199 3.668 . 0 0 "[ . 1 . 2]" 1 1502 1 88 TYR H 1 88 TYR QD . . 4.390 3.484 2.034 4.401 0.011 4 0 "[ . 1 . 2]" 1 1503 1 88 TYR H 1 89 ARG H . . 4.730 4.028 2.592 4.648 . 0 0 "[ . 1 . 2]" 1 1504 1 88 TYR HA 1 88 TYR QD . . 3.470 2.933 2.113 3.579 0.109 13 0 "[ . 1 . 2]" 1 1505 1 88 TYR HA 1 89 ARG H . . 3.210 2.413 2.139 3.184 . 0 0 "[ . 1 . 2]" 1 1506 1 88 TYR QB 1 89 ARG H . . 3.930 3.430 2.540 3.966 0.036 14 0 "[ . 1 . 2]" 1 1507 1 88 TYR HB2 1 89 ARG H . . 4.590 3.917 2.676 4.623 0.033 14 0 "[ . 1 . 2]" 1 1508 1 88 TYR HB3 1 89 ARG H . . 4.590 3.988 2.580 4.538 . 0 0 "[ . 1 . 2]" 1 1509 1 88 TYR QD 1 89 ARG H . . 4.670 3.597 2.272 4.638 . 0 0 "[ . 1 . 2]" 1 1510 1 89 ARG H 1 89 ARG QB . . 3.500 2.437 2.159 3.289 . 0 0 "[ . 1 . 2]" 1 1511 1 89 ARG H 1 89 ARG QG . . 4.020 3.033 1.928 4.021 0.001 17 0 "[ . 1 . 2]" 1 1512 1 89 ARG HA 1 89 ARG QD . . 4.210 3.862 2.148 4.211 0.001 7 0 "[ . 1 . 2]" 1 1513 1 89 ARG HA 1 89 ARG QG . . 3.620 2.699 2.176 3.443 . 0 0 "[ . 1 . 2]" 1 1514 1 89 ARG QB 1 89 ARG QD . . 3.360 2.204 2.030 2.484 . 0 0 "[ . 1 . 2]" 1 1515 1 89 ARG HB2 1 89 ARG QD . . 3.830 2.570 2.065 3.462 . 0 0 "[ . 1 . 2]" 1 1516 1 89 ARG HB3 1 89 ARG QD . . 3.830 2.596 2.085 3.420 . 0 0 "[ . 1 . 2]" 1 stop_ save_
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