NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
544691 | 2lsm | 18437 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2lsm 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 1501 _Distance_constraint_stats_list.Viol_count 1817 _Distance_constraint_stats_list.Viol_total 1175.608 _Distance_constraint_stats_list.Viol_max 0.403 _Distance_constraint_stats_list.Viol_rms 0.0123 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0020 _Distance_constraint_stats_list.Viol_average_violations_only 0.0324 _Distance_constraint_stats_list.Cutoff_violation_report 0.500 _Distance_constraint_stats_list.Details ; Description of the tags in this list: * 1 * Administrative tag * 2 * Administrative tag * 3 * Administrative tag * 4 * ID of the restraint list. * 5 * Number of restraints in list. * 6 * Number of violated restraints (each model violation is used). * 7 * Sum of violations in Angstrom. * 8 * Maximum violation of a restraint without averaging in any way. * 9 * Rms of violations over all restraints. * 10 * Average violation over all restraints. * 11 * Average violation over violated restraints. This violation is averaged over only those models in which the restraint is violated. These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998). * 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table. * 13 * This tag Description of the tags in the per residue table below: * 1 * Chain identifier (can be absent if none defined) * 2 * Residue number * 3 * Residue name * 4 * Maximum violation in ensemble of models (without any averaging) * 5 * Model number with the maximum violation * 6 * Number of models with a violation above cutoff * 7 * List of models (1 character per model) with a violation above cutoff. An '*' marks a violation above the cutoff. A '+' indicates the largest violation above the cutoff and a '-' marks the smallest violation over cutoff. For models 5, 15, 25,... a ' ' is replaced by a '.'. For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1. * 8 * Administrative tag * 9 * Administrative tag Description of the tags in the per restraint table below: * 1 * Restraint ID within restraint list. First node, FIRST member, first atom's: * 2 * Chain identifier (can be absent if none defined) * 3 * Residue number * 4 * Residue name * 5 * Name of (pseudo-)atom First node, SECOND member, first atom's: * 6 * Chain identifier (can be absent if none defined) * 7 * Residue number * 8 * Residue name * 9 * Name of (pseudo-)atom FIRST node's: * 10 * Target distance value (Angstrom) * 11 * Lower bound distance (Angstrom) * 12 * Upper bound distance (Angstrom) * 13 * Average distance in ensemble of models * 14 * Minimum distance in ensemble of models * 15 * Maximum distance in ensemble of models * 16 * Maximum violation (without any averaging) * 17 * Model number with the maximum violation * 18 * Number of models with a violation above cutoff * 19 * List of models with a violation above cutoff. See description above. * 20 * Administrative tag * 21 * Administrative tag ; loop_ _Distance_constraint_stats_per_res.Atom_entity_assembly_ID _Distance_constraint_stats_per_res.Atom_comp_index_ID _Distance_constraint_stats_per_res.Atom_comp_ID _Distance_constraint_stats_per_res.Total_violation _Distance_constraint_stats_per_res.Max_violation _Distance_constraint_stats_per_res.Max_violation_model_number _Distance_constraint_stats_per_res.Over_cutoff_viol_count _Distance_constraint_stats_per_res.Over_cutoff_viol_per_model 1 1 PRO 0.490 0.145 6 0 "[ . 1 . 2]" 1 2 ASP 0.759 0.145 6 0 "[ . 1 . 2]" 1 3 THR 0.612 0.085 7 0 "[ . 1 . 2]" 1 4 VAL 0.081 0.014 14 0 "[ . 1 . 2]" 1 5 ILE 0.397 0.028 14 0 "[ . 1 . 2]" 1 6 LEU 0.017 0.008 20 0 "[ . 1 . 2]" 1 7 ASP 0.008 0.008 20 0 "[ . 1 . 2]" 1 8 THR 0.202 0.051 20 0 "[ . 1 . 2]" 1 9 SER 1.803 0.403 16 0 "[ . 1 . 2]" 1 10 GLU 1.730 0.403 16 0 "[ . 1 . 2]" 1 11 LEU 1.547 0.109 19 0 "[ . 1 . 2]" 1 12 VAL 4.509 0.100 14 0 "[ . 1 . 2]" 1 13 THR 2.183 0.060 19 0 "[ . 1 . 2]" 1 14 VAL 1.099 0.068 9 0 "[ . 1 . 2]" 1 15 VAL 1.945 0.122 20 0 "[ . 1 . 2]" 1 16 ALA 1.991 0.063 2 0 "[ . 1 . 2]" 1 17 LEU 0.557 0.035 9 0 "[ . 1 . 2]" 1 18 VAL 0.023 0.012 11 0 "[ . 1 . 2]" 1 19 LYS 0.797 0.072 7 0 "[ . 1 . 2]" 1 20 LEU 6.870 0.121 16 0 "[ . 1 . 2]" 1 21 HIS 0.267 0.022 4 0 "[ . 1 . 2]" 1 22 THR 6.577 0.160 18 0 "[ . 1 . 2]" 1 23 ASP 0.064 0.015 20 0 "[ . 1 . 2]" 1 24 ALA 2.308 0.144 19 0 "[ . 1 . 2]" 1 25 LEU 3.086 0.171 18 0 "[ . 1 . 2]" 1 26 HIS 5.876 0.130 13 0 "[ . 1 . 2]" 1 27 ALA 3.162 0.130 13 0 "[ . 1 . 2]" 1 29 ARG 2.291 0.090 14 0 "[ . 1 . 2]" 1 30 ASP 0.008 0.008 5 0 "[ . 1 . 2]" 1 31 GLU 1.527 0.110 20 0 "[ . 1 . 2]" 1 32 PRO 1.613 0.171 18 0 "[ . 1 . 2]" 1 33 VAL 6.658 0.160 18 0 "[ . 1 . 2]" 1 34 ALA 2.099 0.092 14 0 "[ . 1 . 2]" 1 35 PHE 1.846 0.175 20 0 "[ . 1 . 2]" 1 36 VAL 7.577 0.165 11 0 "[ . 1 . 2]" 1 37 LEU 3.875 0.288 20 0 "[ . 1 . 2]" 1 38 PRO 1.962 0.121 16 0 "[ . 1 . 2]" 1 39 GLY 0.155 0.053 11 0 "[ . 1 . 2]" 1 40 THR 4.591 0.095 12 0 "[ . 1 . 2]" 1 41 ALA 6.288 0.165 11 0 "[ . 1 . 2]" 1 42 PHE 3.622 0.095 12 0 "[ . 1 . 2]" 1 43 ARG 2.494 0.186 10 0 "[ . 1 . 2]" 1 44 VAL 4.456 0.144 19 0 "[ . 1 . 2]" 1 45 SER 3.661 0.109 19 0 "[ . 1 . 2]" 1 46 ALA 2.141 0.084 19 0 "[ . 1 . 2]" 1 47 GLY 0.295 0.033 1 0 "[ . 1 . 2]" 1 48 VAL 0.820 0.035 12 0 "[ . 1 . 2]" 1 49 ALA 3.925 0.100 14 0 "[ . 1 . 2]" 1 50 ALA 0.126 0.024 3 0 "[ . 1 . 2]" 1 51 GLU 0.521 0.030 16 0 "[ . 1 . 2]" 1 52 MET 0.537 0.020 14 0 "[ . 1 . 2]" 1 53 THR 0.233 0.026 3 0 "[ . 1 . 2]" 1 54 GLU 0.001 0.001 15 0 "[ . 1 . 2]" 1 55 ARG 0.333 0.030 7 0 "[ . 1 . 2]" 1 56 GLY 0.101 0.010 17 0 "[ . 1 . 2]" 1 57 LEU 0.136 0.009 8 0 "[ . 1 . 2]" 1 58 ALA 0.638 0.035 9 0 "[ . 1 . 2]" 1 59 ARG 0.025 0.004 14 0 "[ . 1 . 2]" 1 60 MET 0.254 0.068 9 0 "[ . 1 . 2]" 1 61 GLN 0.015 0.004 9 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 1 PRO HA 1 2 ASP H . . 2.820 2.588 2.204 2.873 0.053 14 0 "[ . 1 . 2]" 1 2 1 1 PRO HA 1 2 ASP HB2 . . 5.500 4.125 3.848 5.348 . 0 0 "[ . 1 . 2]" 1 3 1 1 PRO HA 1 2 ASP QB . . 4.810 3.955 3.749 4.885 0.075 6 0 "[ . 1 . 2]" 1 4 1 1 PRO HA 1 2 ASP HB3 . . 5.500 5.273 5.042 5.645 0.145 6 0 "[ . 1 . 2]" 1 5 1 1 PRO QG 1 2 ASP H . . 4.790 3.921 3.674 4.523 . 0 0 "[ . 1 . 2]" 1 6 1 1 PRO QG 1 2 ASP HA . . 5.280 4.592 4.344 5.285 0.005 14 0 "[ . 1 . 2]" 1 7 1 1 PRO QG 1 2 ASP QB . . 5.340 5.135 3.655 5.467 0.127 6 0 "[ . 1 . 2]" 1 8 1 1 PRO QG 1 3 THR H . . 5.500 4.932 3.437 5.482 . 0 0 "[ . 1 . 2]" 1 9 1 1 PRO QG 1 4 VAL QG . . 4.820 3.412 1.925 4.834 0.014 14 0 "[ . 1 . 2]" 1 10 1 2 ASP H 1 2 ASP QB . . 3.100 2.794 2.300 2.950 . 0 0 "[ . 1 . 2]" 1 11 1 2 ASP H 1 3 THR H . . 3.300 2.015 1.900 2.668 . 0 0 "[ . 1 . 2]" 1 12 1 2 ASP H 1 3 THR MG . . 5.500 5.286 4.959 5.534 0.034 7 0 "[ . 1 . 2]" 1 13 1 2 ASP H 1 4 VAL H . . 4.380 3.448 2.974 3.954 . 0 0 "[ . 1 . 2]" 1 14 1 2 ASP HA 1 3 THR H . . 3.540 3.384 2.971 3.566 0.026 14 0 "[ . 1 . 2]" 1 15 1 2 ASP HA 1 4 VAL QG . . 5.280 3.987 3.473 4.444 . 0 0 "[ . 1 . 2]" 1 16 1 2 ASP QB 1 3 THR H . . 4.270 2.963 2.255 3.738 . 0 0 "[ . 1 . 2]" 1 17 1 2 ASP HB2 1 3 THR H . . 4.990 3.566 2.944 4.269 . 0 0 "[ . 1 . 2]" 1 18 1 2 ASP HB2 1 3 THR HA . . 5.500 5.384 4.194 5.585 0.085 7 0 "[ . 1 . 2]" 1 19 1 2 ASP HB3 1 3 THR H . . 4.990 3.256 2.275 4.224 . 0 0 "[ . 1 . 2]" 1 20 1 2 ASP HB3 1 3 THR HA . . 5.500 4.340 4.099 5.039 . 0 0 "[ . 1 . 2]" 1 21 1 3 THR H 1 3 THR HB . . 3.170 2.619 2.479 2.677 . 0 0 "[ . 1 . 2]" 1 22 1 3 THR H 1 3 THR MG . . 3.860 3.846 3.783 3.873 0.013 17 0 "[ . 1 . 2]" 1 23 1 3 THR H 1 4 VAL H . . 3.260 2.187 1.977 2.463 . 0 0 "[ . 1 . 2]" 1 24 1 3 THR H 1 4 VAL HB . . 5.500 5.085 4.922 5.326 . 0 0 "[ . 1 . 2]" 1 25 1 3 THR H 1 4 VAL QG . . 4.620 3.236 3.093 3.561 . 0 0 "[ . 1 . 2]" 1 26 1 3 THR H 1 5 ILE H . . 4.750 4.758 4.746 4.778 0.028 14 0 "[ . 1 . 2]" 1 27 1 3 THR HA 1 3 THR MG . . 2.950 2.281 2.227 2.351 . 0 0 "[ . 1 . 2]" 1 28 1 3 THR HA 1 4 VAL QG . . 3.900 3.786 3.649 3.855 . 0 0 "[ . 1 . 2]" 1 29 1 3 THR HA 1 5 ILE HB . . 5.500 5.413 5.144 5.507 0.007 20 0 "[ . 1 . 2]" 1 30 1 3 THR HB 1 4 VAL H . . 3.380 2.445 2.301 2.689 . 0 0 "[ . 1 . 2]" 1 31 1 3 THR HB 1 4 VAL HB . . 5.500 5.416 5.363 5.477 . 0 0 "[ . 1 . 2]" 1 32 1 3 THR HB 1 4 VAL QG . . 4.790 4.331 4.225 4.510 . 0 0 "[ . 1 . 2]" 1 33 1 3 THR MG 1 4 VAL H . . 3.980 3.402 3.101 3.504 . 0 0 "[ . 1 . 2]" 1 34 1 3 THR MG 1 4 VAL HA . . 4.510 4.468 4.155 4.517 0.007 6 0 "[ . 1 . 2]" 1 35 1 3 THR MG 1 4 VAL HB . . 4.720 4.545 4.424 4.648 . 0 0 "[ . 1 . 2]" 1 36 1 3 THR MG 1 5 ILE H . . 4.010 2.753 1.941 3.128 . 0 0 "[ . 1 . 2]" 1 37 1 4 VAL H 1 4 VAL HB . . 3.870 3.694 3.654 3.732 . 0 0 "[ . 1 . 2]" 1 38 1 4 VAL H 1 4 VAL MG1 . . 3.950 3.939 3.921 3.953 0.003 8 0 "[ . 1 . 2]" 1 39 1 4 VAL H 1 4 VAL QG . . 3.200 2.551 2.467 2.604 . 0 0 "[ . 1 . 2]" 1 40 1 4 VAL H 1 4 VAL MG2 . . 3.950 2.585 2.493 2.642 . 0 0 "[ . 1 . 2]" 1 41 1 4 VAL H 1 5 ILE H . . 3.180 2.837 2.702 2.970 . 0 0 "[ . 1 . 2]" 1 42 1 4 VAL H 1 5 ILE QG . . 4.140 4.017 3.929 4.117 . 0 0 "[ . 1 . 2]" 1 43 1 4 VAL HA 1 4 VAL MG1 . . 3.240 2.208 2.145 2.293 . 0 0 "[ . 1 . 2]" 1 44 1 4 VAL HA 1 4 VAL QG . . 2.590 2.055 2.017 2.113 . 0 0 "[ . 1 . 2]" 1 45 1 4 VAL HA 1 4 VAL MG2 . . 3.240 2.450 2.393 2.521 . 0 0 "[ . 1 . 2]" 1 46 1 4 VAL HA 1 5 ILE H . . 3.120 2.654 2.531 2.820 . 0 0 "[ . 1 . 2]" 1 47 1 4 VAL HA 1 5 ILE HB . . 5.500 5.316 5.188 5.428 . 0 0 "[ . 1 . 2]" 1 48 1 4 VAL HB 1 5 ILE H . . 4.660 4.310 4.189 4.390 . 0 0 "[ . 1 . 2]" 1 49 1 4 VAL QG 1 5 ILE H . . 4.300 3.683 3.626 3.737 . 0 0 "[ . 1 . 2]" 1 50 1 5 ILE H 1 5 ILE HB . . 3.000 2.809 2.655 2.900 . 0 0 "[ . 1 . 2]" 1 51 1 5 ILE H 1 5 ILE MD . . 4.600 3.987 3.694 4.383 . 0 0 "[ . 1 . 2]" 1 52 1 5 ILE H 1 5 ILE HG12 . . 4.150 3.341 2.802 4.143 . 0 0 "[ . 1 . 2]" 1 53 1 5 ILE H 1 5 ILE HG13 . . 4.150 3.768 3.167 4.171 0.021 2 0 "[ . 1 . 2]" 1 54 1 5 ILE H 1 5 ILE MG . . 4.330 3.914 3.858 3.935 . 0 0 "[ . 1 . 2]" 1 55 1 5 ILE H 1 6 LEU HA . . 5.500 4.747 4.558 4.919 . 0 0 "[ . 1 . 2]" 1 56 1 5 ILE HA 1 5 ILE MD . . 4.140 2.735 1.982 3.818 . 0 0 "[ . 1 . 2]" 1 57 1 5 ILE HA 1 5 ILE HG12 . . 3.770 2.853 2.505 3.096 . 0 0 "[ . 1 . 2]" 1 58 1 5 ILE HA 1 5 ILE QG . . 3.100 2.730 2.397 2.963 . 0 0 "[ . 1 . 2]" 1 59 1 5 ILE HA 1 5 ILE HG13 . . 3.770 3.481 3.051 3.777 0.007 2 0 "[ . 1 . 2]" 1 60 1 5 ILE HA 1 5 ILE MG . . 2.780 2.300 2.232 2.392 . 0 0 "[ . 1 . 2]" 1 61 1 5 ILE HA 1 6 LEU H . . 2.430 2.151 2.139 2.183 . 0 0 "[ . 1 . 2]" 1 62 1 5 ILE HA 1 6 LEU HB2 . . 4.450 4.229 4.109 4.378 . 0 0 "[ . 1 . 2]" 1 63 1 5 ILE HB 1 5 ILE MD . . 3.350 2.877 2.348 3.229 . 0 0 "[ . 1 . 2]" 1 64 1 5 ILE HB 1 6 LEU H . . 4.410 4.249 4.065 4.388 . 0 0 "[ . 1 . 2]" 1 65 1 5 ILE HB 1 6 LEU HA . . 5.500 4.855 4.696 5.154 . 0 0 "[ . 1 . 2]" 1 66 1 5 ILE QG 1 6 LEU H . . 5.070 4.513 4.058 4.801 . 0 0 "[ . 1 . 2]" 1 67 1 5 ILE HG12 1 5 ILE MG . . 3.240 2.865 2.352 3.200 . 0 0 "[ . 1 . 2]" 1 68 1 5 ILE HG13 1 5 ILE MG . . 3.240 2.669 2.285 3.204 . 0 0 "[ . 1 . 2]" 1 69 1 5 ILE MG 1 6 LEU H . . 3.220 2.699 2.266 3.050 . 0 0 "[ . 1 . 2]" 1 70 1 5 ILE MG 1 7 ASP HB2 . . 5.440 3.628 2.637 4.802 . 0 0 "[ . 1 . 2]" 1 71 1 5 ILE MG 1 7 ASP QB . . 4.730 3.443 2.530 4.502 . 0 0 "[ . 1 . 2]" 1 72 1 5 ILE MG 1 7 ASP HB3 . . 5.440 4.453 3.255 5.440 . 0 0 "[ . 1 . 2]" 1 73 1 6 LEU H 1 6 LEU HB2 . . 2.780 2.511 2.097 2.779 . 0 0 "[ . 1 . 2]" 1 74 1 6 LEU H 1 6 LEU HB3 . . 3.140 3.003 2.868 3.142 0.002 17 0 "[ . 1 . 2]" 1 75 1 6 LEU HA 1 6 LEU HB2 . . 2.780 2.699 2.637 2.779 . 0 0 "[ . 1 . 2]" 1 76 1 6 LEU HA 1 6 LEU QD . . 2.520 2.158 1.880 2.465 . 0 0 "[ . 1 . 2]" 1 77 1 6 LEU HA 1 7 ASP H . . 2.530 2.153 2.138 2.219 . 0 0 "[ . 1 . 2]" 1 78 1 6 LEU HA 1 7 ASP HA . . 4.570 4.393 4.373 4.418 . 0 0 "[ . 1 . 2]" 1 79 1 6 LEU HA 1 8 THR MG . . 4.910 4.303 3.831 4.917 0.007 20 0 "[ . 1 . 2]" 1 80 1 6 LEU HB3 1 6 LEU QD . . 2.520 2.199 2.050 2.340 . 0 0 "[ . 1 . 2]" 1 81 1 6 LEU HB3 1 7 ASP H . . 4.250 3.982 3.735 4.258 0.008 20 0 "[ . 1 . 2]" 1 82 1 6 LEU HB3 1 7 ASP HA . . 4.720 4.349 4.175 4.508 . 0 0 "[ . 1 . 2]" 1 83 1 6 LEU QD 1 7 ASP H . . 3.590 2.406 2.115 2.860 . 0 0 "[ . 1 . 2]" 1 84 1 6 LEU QD 1 7 ASP HA . . 4.360 3.451 3.222 3.832 . 0 0 "[ . 1 . 2]" 1 85 1 6 LEU QD 1 7 ASP QB . . 4.850 4.153 3.932 4.524 . 0 0 "[ . 1 . 2]" 1 86 1 6 LEU QD 1 8 THR HA . . 4.580 4.249 3.959 4.563 . 0 0 "[ . 1 . 2]" 1 87 1 6 LEU QD 1 9 SER H . . 5.440 5.178 4.649 5.432 . 0 0 "[ . 1 . 2]" 1 88 1 7 ASP H 1 7 ASP QB . . 2.900 2.627 2.428 2.824 . 0 0 "[ . 1 . 2]" 1 89 1 7 ASP H 1 8 THR HA . . 5.070 4.759 4.510 4.996 . 0 0 "[ . 1 . 2]" 1 90 1 7 ASP H 1 8 THR MG . . 4.610 3.140 2.577 4.344 . 0 0 "[ . 1 . 2]" 1 91 1 7 ASP HA 1 8 THR H . . 3.060 2.358 2.139 2.971 . 0 0 "[ . 1 . 2]" 1 92 1 7 ASP HA 1 8 THR HA . . 4.830 4.379 4.346 4.405 . 0 0 "[ . 1 . 2]" 1 93 1 7 ASP HA 1 8 THR MG . . 4.190 3.936 3.435 4.173 . 0 0 "[ . 1 . 2]" 1 94 1 8 THR H 1 8 THR HB . . 4.060 3.859 3.653 3.951 . 0 0 "[ . 1 . 2]" 1 95 1 8 THR H 1 8 THR MG . . 3.250 2.837 2.340 3.179 . 0 0 "[ . 1 . 2]" 1 96 1 8 THR HA 1 8 THR HB . . 2.940 2.422 2.374 2.501 . 0 0 "[ . 1 . 2]" 1 97 1 8 THR HA 1 8 THR MG . . 2.940 2.402 2.278 2.494 . 0 0 "[ . 1 . 2]" 1 98 1 8 THR HA 1 9 SER H . . 3.200 2.665 2.159 3.251 0.051 20 0 "[ . 1 . 2]" 1 99 1 8 THR HB 1 9 SER QB . . 5.240 4.728 3.831 5.198 . 0 0 "[ . 1 . 2]" 1 100 1 8 THR MG 1 9 SER H . . 4.160 3.862 3.526 4.187 0.027 2 0 "[ . 1 . 2]" 1 101 1 9 SER H 1 9 SER QB . . 3.290 2.886 2.258 3.282 . 0 0 "[ . 1 . 2]" 1 102 1 9 SER H 1 10 GLU H . . 3.310 2.877 2.256 3.242 . 0 0 "[ . 1 . 2]" 1 103 1 9 SER HA 1 9 SER QB . . 2.620 2.359 2.177 2.525 . 0 0 "[ . 1 . 2]" 1 104 1 9 SER HA 1 10 GLU H . . 3.150 2.789 2.359 3.553 0.403 16 0 "[ . 1 . 2]" 1 105 1 9 SER QB 1 10 GLU H . . 4.100 3.562 1.973 4.026 . 0 0 "[ . 1 . 2]" 1 106 1 9 SER QB 1 10 GLU HA . . 4.520 4.321 3.855 4.531 0.011 20 0 "[ . 1 . 2]" 1 107 1 9 SER QB 1 11 LEU H . . 5.340 4.909 3.899 5.336 . 0 0 "[ . 1 . 2]" 1 108 1 10 GLU H 1 10 GLU QB . . 3.040 2.676 2.432 2.917 . 0 0 "[ . 1 . 2]" 1 109 1 10 GLU H 1 10 GLU QG . . 3.870 3.486 2.702 3.942 0.072 20 0 "[ . 1 . 2]" 1 110 1 10 GLU H 1 11 LEU H . . 3.530 3.361 2.905 3.524 . 0 0 "[ . 1 . 2]" 1 111 1 10 GLU H 1 11 LEU QD . . 4.430 3.479 2.988 4.270 . 0 0 "[ . 1 . 2]" 1 112 1 10 GLU H 1 46 ALA H . . 5.320 4.751 3.150 5.342 0.022 17 0 "[ . 1 . 2]" 1 113 1 10 GLU HA 1 10 GLU QB . . 2.610 2.454 2.318 2.525 . 0 0 "[ . 1 . 2]" 1 114 1 10 GLU HA 1 10 GLU HG2 . . 3.580 2.356 2.064 2.895 . 0 0 "[ . 1 . 2]" 1 115 1 10 GLU HA 1 10 GLU QG . . 2.990 2.229 2.046 2.555 . 0 0 "[ . 1 . 2]" 1 116 1 10 GLU HA 1 10 GLU HG3 . . 3.580 3.133 2.315 3.527 . 0 0 "[ . 1 . 2]" 1 117 1 10 GLU HA 1 11 LEU H . . 2.810 2.371 2.185 2.596 . 0 0 "[ . 1 . 2]" 1 118 1 10 GLU HA 1 11 LEU HB2 . . 5.070 4.380 4.210 4.563 . 0 0 "[ . 1 . 2]" 1 119 1 10 GLU HA 1 46 ALA MB . . 5.460 5.091 3.991 5.463 0.003 6 0 "[ . 1 . 2]" 1 120 1 10 GLU QB 1 10 GLU QG . . 2.320 2.053 2.020 2.086 . 0 0 "[ . 1 . 2]" 1 121 1 10 GLU QB 1 11 LEU H . . 4.130 3.881 3.736 3.969 . 0 0 "[ . 1 . 2]" 1 122 1 10 GLU QB 1 12 VAL QG . . 4.410 3.594 3.118 3.764 . 0 0 "[ . 1 . 2]" 1 123 1 10 GLU QB 1 46 ALA H . . 4.600 4.193 3.050 4.554 . 0 0 "[ . 1 . 2]" 1 124 1 10 GLU QB 1 46 ALA HA . . 5.340 4.881 3.640 5.290 . 0 0 "[ . 1 . 2]" 1 125 1 10 GLU QB 1 46 ALA MB . . 3.570 2.847 1.735 3.207 . 0 0 "[ . 1 . 2]" 1 126 1 10 GLU HB2 1 11 LEU H . . 4.770 4.549 4.416 4.648 . 0 0 "[ . 1 . 2]" 1 127 1 10 GLU HB2 1 46 ALA MB . . 4.280 3.310 1.943 4.010 . 0 0 "[ . 1 . 2]" 1 128 1 10 GLU HB3 1 11 LEU H . . 4.770 4.215 3.946 4.354 . 0 0 "[ . 1 . 2]" 1 129 1 10 GLU HB3 1 46 ALA MB . . 4.280 3.245 1.945 4.239 . 0 0 "[ . 1 . 2]" 1 130 1 10 GLU QG 1 11 LEU H . . 5.050 4.266 3.553 4.515 . 0 0 "[ . 1 . 2]" 1 131 1 11 LEU H 1 11 LEU HB2 . . 3.070 2.096 2.046 2.127 . 0 0 "[ . 1 . 2]" 1 132 1 11 LEU H 1 11 LEU HB3 . . 3.450 3.399 3.296 3.451 0.001 9 0 "[ . 1 . 2]" 1 133 1 11 LEU H 1 11 LEU QD . . 3.600 2.426 2.216 2.898 . 0 0 "[ . 1 . 2]" 1 134 1 11 LEU H 1 12 VAL H . . 4.670 4.623 4.556 4.641 . 0 0 "[ . 1 . 2]" 1 135 1 11 LEU HA 1 11 LEU QD . . 2.840 1.989 1.912 2.130 . 0 0 "[ . 1 . 2]" 1 136 1 11 LEU HA 1 11 LEU HG . . 3.800 3.458 2.687 3.652 . 0 0 "[ . 1 . 2]" 1 137 1 11 LEU HA 1 12 VAL H . . 2.610 2.249 2.170 2.281 . 0 0 "[ . 1 . 2]" 1 138 1 11 LEU HA 1 12 VAL QG . . 4.140 3.158 3.128 3.237 . 0 0 "[ . 1 . 2]" 1 139 1 11 LEU HA 1 27 ALA MB . . 4.850 4.760 4.572 4.863 0.013 14 0 "[ . 1 . 2]" 1 140 1 11 LEU HA 1 44 VAL H . . 4.870 4.473 4.284 4.590 . 0 0 "[ . 1 . 2]" 1 141 1 11 LEU HA 1 44 VAL HA . . 5.070 5.033 4.768 5.087 0.017 5 0 "[ . 1 . 2]" 1 142 1 11 LEU HA 1 45 SER QB . . 5.060 4.900 4.720 5.062 0.002 11 0 "[ . 1 . 2]" 1 143 1 11 LEU HA 1 46 ALA MB . . 5.500 4.727 4.448 4.841 . 0 0 "[ . 1 . 2]" 1 144 1 11 LEU HB2 1 11 LEU QD . . 3.060 2.275 2.027 2.354 . 0 0 "[ . 1 . 2]" 1 145 1 11 LEU HB2 1 12 VAL H . . 4.450 4.214 4.158 4.362 . 0 0 "[ . 1 . 2]" 1 146 1 11 LEU HB2 1 12 VAL HA . . 5.500 5.292 5.230 5.412 . 0 0 "[ . 1 . 2]" 1 147 1 11 LEU HB2 1 43 ARG HB3 . . 4.960 4.264 3.856 4.963 0.003 19 0 "[ . 1 . 2]" 1 148 1 11 LEU HB2 1 43 ARG QD . . 5.170 4.141 3.646 5.119 . 0 0 "[ . 1 . 2]" 1 149 1 11 LEU HB3 1 11 LEU HG . . 2.980 2.411 2.328 2.454 . 0 0 "[ . 1 . 2]" 1 150 1 11 LEU HB3 1 12 VAL H . . 3.640 3.039 2.923 3.300 . 0 0 "[ . 1 . 2]" 1 151 1 11 LEU HB3 1 13 THR H . . 5.500 5.271 5.222 5.373 . 0 0 "[ . 1 . 2]" 1 152 1 11 LEU HB3 1 43 ARG HA . . 5.500 4.628 4.256 5.401 . 0 0 "[ . 1 . 2]" 1 153 1 11 LEU HB3 1 43 ARG HB3 . . 4.030 2.655 2.210 3.483 . 0 0 "[ . 1 . 2]" 1 154 1 11 LEU HB3 1 43 ARG QD . . 4.120 3.224 2.925 3.896 . 0 0 "[ . 1 . 2]" 1 155 1 11 LEU HB3 1 45 SER HA . . 5.500 5.529 5.503 5.609 0.109 19 0 "[ . 1 . 2]" 1 156 1 11 LEU QD 1 12 VAL H . . 3.600 2.572 1.943 3.567 . 0 0 "[ . 1 . 2]" 1 157 1 11 LEU QD 1 26 HIS HA . . 4.750 3.393 3.106 3.690 . 0 0 "[ . 1 . 2]" 1 158 1 11 LEU QD 1 43 ARG HA . . 5.440 3.779 3.180 5.111 . 0 0 "[ . 1 . 2]" 1 159 1 11 LEU QD 1 43 ARG HB3 . . 4.540 2.617 2.134 3.603 . 0 0 "[ . 1 . 2]" 1 160 1 11 LEU QD 1 43 ARG QD . . 5.120 3.476 2.424 4.023 . 0 0 "[ . 1 . 2]" 1 161 1 11 LEU QD 1 44 VAL HA . . 3.830 2.841 2.466 3.885 0.055 14 0 "[ . 1 . 2]" 1 162 1 11 LEU QD 1 44 VAL HB . . 5.440 4.423 4.096 5.358 . 0 0 "[ . 1 . 2]" 1 163 1 11 LEU QD 1 45 SER H . . 4.000 3.510 3.238 4.055 0.055 18 0 "[ . 1 . 2]" 1 164 1 11 LEU QD 1 45 SER HA . . 3.440 2.677 2.557 2.812 . 0 0 "[ . 1 . 2]" 1 165 1 11 LEU QD 1 45 SER QB . . 4.010 3.676 3.570 3.778 . 0 0 "[ . 1 . 2]" 1 166 1 11 LEU QD 1 46 ALA H . . 4.730 4.182 3.885 4.384 . 0 0 "[ . 1 . 2]" 1 167 1 11 LEU HG 1 27 ALA H . . 4.350 3.317 2.956 3.945 . 0 0 "[ . 1 . 2]" 1 168 1 11 LEU HG 1 27 ALA MB . . 4.210 3.446 2.720 4.161 . 0 0 "[ . 1 . 2]" 1 169 1 11 LEU HG 1 29 ARG H . . 5.500 4.922 4.394 5.590 0.090 14 0 "[ . 1 . 2]" 1 170 1 11 LEU HG 1 43 ARG HA . . 5.500 5.330 4.547 5.521 0.021 5 0 "[ . 1 . 2]" 1 171 1 11 LEU HG 1 43 ARG HB2 . . 3.400 3.380 3.233 3.468 0.068 8 0 "[ . 1 . 2]" 1 172 1 11 LEU HG 1 43 ARG HB3 . . 3.780 3.315 2.661 3.475 . 0 0 "[ . 1 . 2]" 1 173 1 11 LEU HG 1 43 ARG QD . . 3.890 3.631 3.392 3.927 0.037 19 0 "[ . 1 . 2]" 1 174 1 11 LEU HG 1 44 VAL HA . . 5.440 4.971 3.882 5.342 . 0 0 "[ . 1 . 2]" 1 175 1 12 VAL H 1 12 VAL HB . . 3.830 3.822 3.717 3.911 0.081 19 0 "[ . 1 . 2]" 1 176 1 12 VAL H 1 12 VAL MG1 . . 3.920 2.661 2.394 2.845 . 0 0 "[ . 1 . 2]" 1 177 1 12 VAL H 1 12 VAL QG . . 2.940 2.055 1.963 2.171 . 0 0 "[ . 1 . 2]" 1 178 1 12 VAL H 1 12 VAL MG2 . . 3.920 2.140 2.077 2.251 . 0 0 "[ . 1 . 2]" 1 179 1 12 VAL H 1 13 THR H . . 4.650 4.391 4.310 4.493 . 0 0 "[ . 1 . 2]" 1 180 1 12 VAL H 1 43 ARG HA . . 4.610 4.124 3.974 4.442 . 0 0 "[ . 1 . 2]" 1 181 1 12 VAL H 1 43 ARG HB3 . . 4.220 3.704 3.517 4.046 . 0 0 "[ . 1 . 2]" 1 182 1 12 VAL H 1 44 VAL H . . 3.300 2.733 2.608 3.015 . 0 0 "[ . 1 . 2]" 1 183 1 12 VAL H 1 44 VAL HA . . 4.620 4.459 4.374 4.634 0.014 6 0 "[ . 1 . 2]" 1 184 1 12 VAL H 1 45 SER H . . 4.850 4.891 4.867 4.903 0.053 17 0 "[ . 1 . 2]" 1 185 1 12 VAL H 1 46 ALA HA . . 5.140 4.729 4.419 4.909 . 0 0 "[ . 1 . 2]" 1 186 1 12 VAL H 1 46 ALA MB . . 5.390 5.092 4.771 5.293 . 0 0 "[ . 1 . 2]" 1 187 1 12 VAL HA 1 12 VAL MG1 . . 3.210 2.457 2.454 2.462 . 0 0 "[ . 1 . 2]" 1 188 1 12 VAL HA 1 12 VAL MG2 . . 3.210 3.188 3.186 3.189 . 0 0 "[ . 1 . 2]" 1 189 1 12 VAL HA 1 13 THR H . . 2.480 2.177 2.170 2.188 . 0 0 "[ . 1 . 2]" 1 190 1 12 VAL HA 1 13 THR HA . . 4.620 4.358 4.353 4.362 . 0 0 "[ . 1 . 2]" 1 191 1 12 VAL HA 1 49 ALA MB . . 5.170 5.096 5.080 5.115 . 0 0 "[ . 1 . 2]" 1 192 1 12 VAL HB 1 13 THR H . . 3.120 3.092 3.033 3.126 0.006 3 0 "[ . 1 . 2]" 1 193 1 12 VAL HB 1 14 VAL QG . . 4.640 4.501 3.396 4.650 0.010 14 0 "[ . 1 . 2]" 1 194 1 12 VAL HB 1 44 VAL QG . . 4.720 4.160 4.079 4.266 . 0 0 "[ . 1 . 2]" 1 195 1 12 VAL HB 1 46 ALA HA . . 4.420 4.461 4.430 4.504 0.084 19 0 "[ . 1 . 2]" 1 196 1 12 VAL HB 1 49 ALA MB . . 3.410 3.428 3.392 3.487 0.077 14 0 "[ . 1 . 2]" 1 197 1 12 VAL QG 1 13 THR H . . 3.440 3.468 3.447 3.485 0.045 13 0 "[ . 1 . 2]" 1 198 1 12 VAL QG 1 13 THR HA . . 4.580 4.077 4.051 4.106 . 0 0 "[ . 1 . 2]" 1 199 1 12 VAL QG 1 13 THR HB . . 5.130 5.105 5.045 5.150 0.020 9 0 "[ . 1 . 2]" 1 200 1 12 VAL QG 1 14 VAL H . . 4.360 4.261 4.084 4.365 0.005 18 0 "[ . 1 . 2]" 1 201 1 12 VAL QG 1 14 VAL QG . . 3.150 2.845 2.035 2.962 . 0 0 "[ . 1 . 2]" 1 202 1 12 VAL QG 1 44 VAL H . . 4.230 2.373 2.321 2.448 . 0 0 "[ . 1 . 2]" 1 203 1 12 VAL QG 1 44 VAL HA . . 5.440 4.128 4.067 4.221 . 0 0 "[ . 1 . 2]" 1 204 1 12 VAL QG 1 44 VAL HB . . 4.180 3.885 3.756 4.026 . 0 0 "[ . 1 . 2]" 1 205 1 12 VAL QG 1 44 VAL QG . . 3.250 1.885 1.830 1.937 . 0 0 "[ . 1 . 2]" 1 206 1 12 VAL QG 1 46 ALA H . . 3.550 3.303 3.148 3.462 . 0 0 "[ . 1 . 2]" 1 207 1 12 VAL QG 1 46 ALA HA . . 2.870 1.960 1.933 1.988 . 0 0 "[ . 1 . 2]" 1 208 1 12 VAL QG 1 46 ALA MB . . 3.040 2.667 2.475 2.742 . 0 0 "[ . 1 . 2]" 1 209 1 12 VAL QG 1 47 GLY H . . 5.270 4.445 4.409 4.466 . 0 0 "[ . 1 . 2]" 1 210 1 12 VAL QG 1 60 MET ME . . 2.730 2.560 2.345 2.675 . 0 0 "[ . 1 . 2]" 1 211 1 12 VAL QG 1 60 MET QG . . 4.570 4.203 4.049 4.437 . 0 0 "[ . 1 . 2]" 1 212 1 12 VAL MG1 1 46 ALA H . . 4.330 3.473 3.300 3.664 . 0 0 "[ . 1 . 2]" 1 213 1 12 VAL MG1 1 46 ALA HA . . 4.040 2.019 1.982 2.047 . 0 0 "[ . 1 . 2]" 1 214 1 12 VAL MG1 1 49 ALA MB . . 2.910 2.988 2.966 3.010 0.100 14 0 "[ . 1 . 2]" 1 215 1 12 VAL MG1 1 60 MET ME . . 3.310 3.125 2.980 3.264 . 0 0 "[ . 1 . 2]" 1 216 1 12 VAL MG2 1 46 ALA H . . 4.330 4.133 3.974 4.258 . 0 0 "[ . 1 . 2]" 1 217 1 12 VAL MG2 1 46 ALA HA . . 4.040 2.663 2.544 2.726 . 0 0 "[ . 1 . 2]" 1 218 1 12 VAL MG2 1 49 ALA MB . . 2.910 1.689 1.682 1.694 . 0 0 "[ . 1 . 2]" 1 219 1 12 VAL MG2 1 60 MET ME . . 3.310 2.721 2.446 2.863 . 0 0 "[ . 1 . 2]" 1 220 1 13 THR H 1 13 THR HB . . 2.820 2.605 2.473 2.731 . 0 0 "[ . 1 . 2]" 1 221 1 13 THR H 1 13 THR MG . . 3.940 3.789 3.773 3.799 . 0 0 "[ . 1 . 2]" 1 222 1 13 THR H 1 14 VAL H . . 4.890 4.467 4.400 4.502 . 0 0 "[ . 1 . 2]" 1 223 1 13 THR H 1 43 ARG HB3 . . 4.940 4.985 4.967 5.000 0.060 19 0 "[ . 1 . 2]" 1 224 1 13 THR H 1 49 ALA MB . . 5.500 5.518 5.488 5.550 0.050 8 0 "[ . 1 . 2]" 1 225 1 13 THR HA 1 13 THR MG . . 3.040 2.305 2.235 2.415 . 0 0 "[ . 1 . 2]" 1 226 1 13 THR HA 1 14 VAL H . . 2.590 2.144 2.142 2.151 . 0 0 "[ . 1 . 2]" 1 227 1 13 THR HA 1 14 VAL HB . . 5.500 4.659 4.469 4.706 . 0 0 "[ . 1 . 2]" 1 228 1 13 THR HA 1 14 VAL MG1 . . 5.500 3.751 3.504 5.438 . 0 0 "[ . 1 . 2]" 1 229 1 13 THR HA 1 14 VAL QG . . 4.820 3.566 3.465 3.986 . 0 0 "[ . 1 . 2]" 1 230 1 13 THR HA 1 14 VAL MG2 . . 5.500 5.335 4.096 5.491 . 0 0 "[ . 1 . 2]" 1 231 1 13 THR HA 1 41 ALA MB . . 5.100 4.673 4.536 4.735 . 0 0 "[ . 1 . 2]" 1 232 1 13 THR HA 1 42 PHE HA . . 5.500 5.361 5.265 5.447 . 0 0 "[ . 1 . 2]" 1 233 1 13 THR HA 1 43 ARG HA . . 3.320 2.445 2.353 2.498 . 0 0 "[ . 1 . 2]" 1 234 1 13 THR HA 1 43 ARG HB3 . . 3.810 3.717 3.644 3.765 . 0 0 "[ . 1 . 2]" 1 235 1 13 THR HA 1 43 ARG QG . . 3.490 2.959 2.808 3.056 . 0 0 "[ . 1 . 2]" 1 236 1 13 THR HA 1 61 GLN HB2 . . 5.500 5.297 5.044 5.496 . 0 0 "[ . 1 . 2]" 1 237 1 13 THR HB 1 14 VAL HA . . 5.410 4.628 4.507 4.813 . 0 0 "[ . 1 . 2]" 1 238 1 13 THR HB 1 41 ALA MB . . 5.250 4.979 4.844 5.111 . 0 0 "[ . 1 . 2]" 1 239 1 13 THR HB 1 43 ARG HA . . 5.500 5.445 5.335 5.502 0.002 17 0 "[ . 1 . 2]" 1 240 1 13 THR HB 1 43 ARG QD . . 5.340 5.339 5.289 5.380 0.040 8 0 "[ . 1 . 2]" 1 241 1 13 THR HB 1 60 MET HB3 . . 5.170 5.036 4.753 5.178 0.008 12 0 "[ . 1 . 2]" 1 242 1 13 THR HB 1 61 GLN HB2 . . 4.790 4.140 3.820 4.447 . 0 0 "[ . 1 . 2]" 1 243 1 13 THR HB 1 61 GLN HB3 . . 3.570 2.947 2.587 3.436 . 0 0 "[ . 1 . 2]" 1 244 1 13 THR HB 1 61 GLN QE . . 5.340 5.302 5.216 5.344 0.004 9 0 "[ . 1 . 2]" 1 245 1 13 THR HB 1 61 GLN QG . . 5.340 4.718 3.986 5.083 . 0 0 "[ . 1 . 2]" 1 246 1 13 THR MG 1 14 VAL H . . 3.220 2.657 2.416 2.960 . 0 0 "[ . 1 . 2]" 1 247 1 13 THR MG 1 14 VAL HA . . 4.070 3.643 3.401 3.791 . 0 0 "[ . 1 . 2]" 1 248 1 13 THR MG 1 14 VAL QG . . 5.130 4.033 3.959 4.187 . 0 0 "[ . 1 . 2]" 1 249 1 13 THR MG 1 15 VAL HA . . 5.500 4.966 4.890 5.009 . 0 0 "[ . 1 . 2]" 1 250 1 13 THR MG 1 41 ALA H . . 5.500 5.483 5.375 5.519 0.019 20 0 "[ . 1 . 2]" 1 251 1 13 THR MG 1 41 ALA HA . . 4.440 4.011 3.950 4.047 . 0 0 "[ . 1 . 2]" 1 252 1 13 THR MG 1 41 ALA MB . . 2.730 2.554 2.436 2.620 . 0 0 "[ . 1 . 2]" 1 253 1 13 THR MG 1 42 PHE HA . . 5.210 4.755 4.636 4.898 . 0 0 "[ . 1 . 2]" 1 254 1 13 THR MG 1 43 ARG HA . . 4.120 3.988 3.841 4.122 0.002 3 0 "[ . 1 . 2]" 1 255 1 13 THR MG 1 43 ARG HB3 . . 5.180 4.878 4.591 5.128 . 0 0 "[ . 1 . 2]" 1 256 1 13 THR MG 1 43 ARG QD . . 4.680 3.917 3.483 4.241 . 0 0 "[ . 1 . 2]" 1 257 1 13 THR MG 1 43 ARG HE . . 4.910 4.445 3.711 4.875 . 0 0 "[ . 1 . 2]" 1 258 1 13 THR MG 1 60 MET HA . . 5.120 4.783 4.466 5.123 0.003 12 0 "[ . 1 . 2]" 1 259 1 13 THR MG 1 61 GLN H . . 4.170 3.276 2.913 3.532 . 0 0 "[ . 1 . 2]" 1 260 1 13 THR MG 1 61 GLN HA . . 4.640 4.400 4.222 4.617 . 0 0 "[ . 1 . 2]" 1 261 1 13 THR MG 1 61 GLN HB2 . . 3.210 2.480 2.169 3.119 . 0 0 "[ . 1 . 2]" 1 262 1 13 THR MG 1 61 GLN HB3 . . 3.340 2.033 1.951 2.173 . 0 0 "[ . 1 . 2]" 1 263 1 13 THR MG 1 61 GLN HE21 . . 4.390 3.428 3.065 3.715 . 0 0 "[ . 1 . 2]" 1 264 1 13 THR MG 1 61 GLN QE . . 3.830 3.041 2.954 3.178 . 0 0 "[ . 1 . 2]" 1 265 1 13 THR MG 1 61 GLN HE22 . . 4.390 3.543 3.198 4.179 . 0 0 "[ . 1 . 2]" 1 266 1 13 THR MG 1 61 GLN HG2 . . 4.360 3.559 2.746 4.121 . 0 0 "[ . 1 . 2]" 1 267 1 13 THR MG 1 61 GLN QG . . 3.800 3.309 2.704 3.587 . 0 0 "[ . 1 . 2]" 1 268 1 13 THR MG 1 61 GLN HG3 . . 4.360 4.032 3.805 4.360 0.000 1 0 "[ . 1 . 2]" 1 269 1 14 VAL H 1 14 VAL HA . . 2.940 2.926 2.913 2.941 0.001 8 0 "[ . 1 . 2]" 1 270 1 14 VAL H 1 14 VAL QG . . 3.730 2.262 2.071 3.097 . 0 0 "[ . 1 . 2]" 1 271 1 14 VAL H 1 15 VAL H . . 4.380 4.265 4.218 4.344 . 0 0 "[ . 1 . 2]" 1 272 1 14 VAL H 1 15 VAL HA . . 4.950 4.692 4.644 4.777 . 0 0 "[ . 1 . 2]" 1 273 1 14 VAL H 1 41 ALA MB . . 4.720 4.156 3.949 4.352 . 0 0 "[ . 1 . 2]" 1 274 1 14 VAL H 1 42 PHE H . . 3.820 3.432 3.359 3.541 . 0 0 "[ . 1 . 2]" 1 275 1 14 VAL H 1 42 PHE HA . . 4.950 4.745 4.687 4.807 . 0 0 "[ . 1 . 2]" 1 276 1 14 VAL H 1 42 PHE QD . . 4.790 4.704 4.630 4.746 . 0 0 "[ . 1 . 2]" 1 277 1 14 VAL H 1 42 PHE QE . . 5.370 5.280 5.214 5.340 . 0 0 "[ . 1 . 2]" 1 278 1 14 VAL H 1 43 ARG HA . . 3.550 3.001 2.913 3.079 . 0 0 "[ . 1 . 2]" 1 279 1 14 VAL H 1 44 VAL H . . 4.300 4.206 4.028 4.303 0.003 17 0 "[ . 1 . 2]" 1 280 1 14 VAL H 1 60 MET HA . . 4.830 4.725 4.667 4.771 . 0 0 "[ . 1 . 2]" 1 281 1 14 VAL H 1 61 GLN H . . 4.480 4.324 3.986 4.481 0.001 3 0 "[ . 1 . 2]" 1 282 1 14 VAL HA 1 14 VAL QG . . 2.950 2.259 2.038 2.322 . 0 0 "[ . 1 . 2]" 1 283 1 14 VAL HA 1 15 VAL H . . 2.850 2.168 2.161 2.181 . 0 0 "[ . 1 . 2]" 1 284 1 14 VAL HA 1 15 VAL HA . . 4.620 4.390 4.388 4.392 . 0 0 "[ . 1 . 2]" 1 285 1 14 VAL HA 1 15 VAL QG . . 3.970 3.523 3.417 3.559 . 0 0 "[ . 1 . 2]" 1 286 1 14 VAL HA 1 41 ALA MB . . 5.500 4.751 4.658 4.858 . 0 0 "[ . 1 . 2]" 1 287 1 14 VAL HA 1 53 THR MG . . 5.500 5.024 4.691 5.215 . 0 0 "[ . 1 . 2]" 1 288 1 14 VAL HA 1 59 ARG H . . 5.180 5.023 4.934 5.115 . 0 0 "[ . 1 . 2]" 1 289 1 14 VAL HA 1 60 MET HA . . 3.520 2.003 1.982 2.069 . 0 0 "[ . 1 . 2]" 1 290 1 14 VAL HA 1 60 MET HB2 . . 5.500 4.964 4.887 5.031 . 0 0 "[ . 1 . 2]" 1 291 1 14 VAL HA 1 60 MET HB3 . . 4.870 4.018 3.951 4.142 . 0 0 "[ . 1 . 2]" 1 292 1 14 VAL HA 1 60 MET ME . . 5.500 4.739 4.319 5.030 . 0 0 "[ . 1 . 2]" 1 293 1 14 VAL HA 1 61 GLN H . . 3.100 2.245 1.949 2.484 . 0 0 "[ . 1 . 2]" 1 294 1 14 VAL HA 1 61 GLN HA . . 5.500 4.610 4.304 4.890 . 0 0 "[ . 1 . 2]" 1 295 1 14 VAL HB 1 15 VAL H . . 4.370 4.122 4.084 4.253 . 0 0 "[ . 1 . 2]" 1 296 1 14 VAL HB 1 49 ALA HA . . 4.600 4.511 4.407 4.628 0.028 12 0 "[ . 1 . 2]" 1 297 1 14 VAL HB 1 52 MET HG3 . . 5.240 5.250 5.195 5.260 0.020 14 0 "[ . 1 . 2]" 1 298 1 14 VAL HB 1 60 MET HA . . 4.050 3.121 2.826 4.118 0.068 9 0 "[ . 1 . 2]" 1 299 1 14 VAL HB 1 60 MET ME . . 4.230 3.436 3.196 4.263 0.033 12 0 "[ . 1 . 2]" 1 300 1 14 VAL QG 1 15 VAL H . . 3.550 2.374 2.124 2.511 . 0 0 "[ . 1 . 2]" 1 301 1 14 VAL QG 1 15 VAL HA . . 4.960 3.473 3.410 3.515 . 0 0 "[ . 1 . 2]" 1 302 1 14 VAL QG 1 15 VAL QG . . 4.030 3.383 3.279 3.455 . 0 0 "[ . 1 . 2]" 1 303 1 14 VAL QG 1 16 ALA H . . 4.700 4.006 3.933 4.059 . 0 0 "[ . 1 . 2]" 1 304 1 14 VAL QG 1 16 ALA HA . . 5.390 3.838 3.792 3.885 . 0 0 "[ . 1 . 2]" 1 305 1 14 VAL QG 1 16 ALA MB . . 4.380 4.145 4.099 4.179 . 0 0 "[ . 1 . 2]" 1 306 1 14 VAL QG 1 17 LEU HG . . 5.440 5.042 4.962 5.169 . 0 0 "[ . 1 . 2]" 1 307 1 14 VAL QG 1 20 LEU QD . . 5.380 4.903 4.789 5.086 . 0 0 "[ . 1 . 2]" 1 308 1 14 VAL QG 1 22 THR MG . . 5.120 4.463 4.377 4.959 . 0 0 "[ . 1 . 2]" 1 309 1 14 VAL QG 1 24 ALA MB . . 5.440 4.623 4.454 5.468 0.028 9 0 "[ . 1 . 2]" 1 310 1 14 VAL QG 1 36 VAL QG . . 4.530 4.014 3.882 4.364 . 0 0 "[ . 1 . 2]" 1 311 1 14 VAL QG 1 41 ALA HA . . 5.240 4.409 4.347 4.713 . 0 0 "[ . 1 . 2]" 1 312 1 14 VAL QG 1 41 ALA MB . . 5.440 4.658 4.574 4.914 . 0 0 "[ . 1 . 2]" 1 313 1 14 VAL QG 1 42 PHE H . . 4.200 3.424 3.307 4.075 . 0 0 "[ . 1 . 2]" 1 314 1 14 VAL QG 1 42 PHE QD . . 3.870 3.159 3.026 3.929 0.059 9 0 "[ . 1 . 2]" 1 315 1 14 VAL QG 1 42 PHE QE . . 3.270 2.623 2.537 2.946 . 0 0 "[ . 1 . 2]" 1 316 1 14 VAL QG 1 43 ARG HA . . 5.440 3.322 3.133 4.461 . 0 0 "[ . 1 . 2]" 1 317 1 14 VAL QG 1 44 VAL HB . . 5.440 4.205 4.041 5.031 . 0 0 "[ . 1 . 2]" 1 318 1 14 VAL QG 1 44 VAL QG . . 3.170 1.894 1.799 2.581 . 0 0 "[ . 1 . 2]" 1 319 1 14 VAL QG 1 49 ALA H . . 5.310 4.650 4.569 4.701 . 0 0 "[ . 1 . 2]" 1 320 1 14 VAL QG 1 49 ALA HA . . 3.470 3.207 3.165 3.257 . 0 0 "[ . 1 . 2]" 1 321 1 14 VAL QG 1 49 ALA MB . . 2.820 2.764 2.086 2.864 0.044 18 0 "[ . 1 . 2]" 1 322 1 14 VAL QG 1 52 MET HB2 . . 4.400 3.058 2.928 3.255 . 0 0 "[ . 1 . 2]" 1 323 1 14 VAL QG 1 52 MET HB3 . . 4.560 3.154 3.018 3.435 . 0 0 "[ . 1 . 2]" 1 324 1 14 VAL QG 1 52 MET ME . . 3.770 3.167 3.106 3.354 . 0 0 "[ . 1 . 2]" 1 325 1 14 VAL QG 1 52 MET HG2 . . 5.440 4.272 4.148 4.974 . 0 0 "[ . 1 . 2]" 1 326 1 14 VAL QG 1 53 THR MG . . 3.280 2.727 2.270 2.885 . 0 0 "[ . 1 . 2]" 1 327 1 14 VAL QG 1 58 ALA HA . . 5.120 3.894 3.841 3.984 . 0 0 "[ . 1 . 2]" 1 328 1 14 VAL QG 1 58 ALA MB . . 2.920 2.005 1.906 2.216 . 0 0 "[ . 1 . 2]" 1 329 1 14 VAL QG 1 59 ARG H . . 4.330 2.961 2.824 3.089 . 0 0 "[ . 1 . 2]" 1 330 1 14 VAL QG 1 60 MET H . . 5.170 3.444 3.181 3.636 . 0 0 "[ . 1 . 2]" 1 331 1 14 VAL QG 1 60 MET HA . . 3.510 2.562 1.889 2.830 . 0 0 "[ . 1 . 2]" 1 332 1 14 VAL QG 1 60 MET HB3 . . 5.040 4.217 2.823 4.486 . 0 0 "[ . 1 . 2]" 1 333 1 14 VAL QG 1 60 MET ME . . 3.610 3.377 1.960 3.603 . 0 0 "[ . 1 . 2]" 1 334 1 14 VAL QG 1 60 MET QG . . 4.560 2.965 2.031 3.206 . 0 0 "[ . 1 . 2]" 1 335 1 14 VAL QG 1 61 GLN H . . 4.470 3.725 2.838 4.009 . 0 0 "[ . 1 . 2]" 1 336 1 14 VAL MG1 1 15 VAL H . . 4.380 3.838 2.485 4.012 . 0 0 "[ . 1 . 2]" 1 337 1 14 VAL MG1 1 49 ALA HA . . 4.500 3.452 3.365 3.911 . 0 0 "[ . 1 . 2]" 1 338 1 14 VAL MG1 1 49 ALA MB . . 4.190 3.038 2.942 3.768 . 0 0 "[ . 1 . 2]" 1 339 1 14 VAL MG1 1 52 MET HB3 . . 5.220 4.010 3.435 4.181 . 0 0 "[ . 1 . 2]" 1 340 1 14 VAL MG1 1 52 MET ME . . 5.060 3.502 3.354 3.595 . 0 0 "[ . 1 . 2]" 1 341 1 14 VAL MG1 1 53 THR MG . . 4.370 4.196 2.694 4.378 0.008 16 0 "[ . 1 . 2]" 1 342 1 14 VAL MG1 1 58 ALA MB . . 3.860 3.371 1.995 3.658 . 0 0 "[ . 1 . 2]" 1 343 1 14 VAL MG1 1 59 ARG H . . 5.390 5.119 3.107 5.394 0.004 14 0 "[ . 1 . 2]" 1 344 1 14 VAL MG1 1 60 MET HA . . 4.520 4.204 2.752 4.456 . 0 0 "[ . 1 . 2]" 1 345 1 14 VAL MG1 1 60 MET ME . . 4.710 4.182 3.816 4.329 . 0 0 "[ . 1 . 2]" 1 346 1 14 VAL MG2 1 15 VAL H . . 4.380 2.525 2.133 3.816 . 0 0 "[ . 1 . 2]" 1 347 1 14 VAL MG2 1 49 ALA HA . . 4.500 3.880 3.367 4.063 . 0 0 "[ . 1 . 2]" 1 348 1 14 VAL MG2 1 49 ALA MB . . 4.190 3.489 2.097 3.725 . 0 0 "[ . 1 . 2]" 1 349 1 14 VAL MG2 1 52 MET HB3 . . 5.220 3.415 3.108 4.945 . 0 0 "[ . 1 . 2]" 1 350 1 14 VAL MG2 1 52 MET ME . . 5.060 3.695 3.466 4.981 . 0 0 "[ . 1 . 2]" 1 351 1 14 VAL MG2 1 53 THR MG . . 4.370 2.772 2.443 2.927 . 0 0 "[ . 1 . 2]" 1 352 1 14 VAL MG2 1 58 ALA MB . . 3.860 2.206 1.915 3.892 0.032 9 0 "[ . 1 . 2]" 1 353 1 14 VAL MG2 1 59 ARG H . . 5.390 3.175 2.837 5.115 . 0 0 "[ . 1 . 2]" 1 354 1 14 VAL MG2 1 60 MET HA . . 4.520 2.586 1.924 2.864 . 0 0 "[ . 1 . 2]" 1 355 1 14 VAL MG2 1 60 MET ME . . 4.710 3.611 1.966 3.917 . 0 0 "[ . 1 . 2]" 1 356 1 15 VAL H 1 15 VAL QG . . 3.150 2.025 1.942 2.043 . 0 0 "[ . 1 . 2]" 1 357 1 15 VAL H 1 16 ALA H . . 4.630 4.433 4.413 4.450 . 0 0 "[ . 1 . 2]" 1 358 1 15 VAL H 1 41 ALA HA . . 4.770 4.093 4.034 4.197 . 0 0 "[ . 1 . 2]" 1 359 1 15 VAL H 1 41 ALA MB . . 4.650 4.303 4.201 4.472 . 0 0 "[ . 1 . 2]" 1 360 1 15 VAL H 1 42 PHE H . . 5.020 4.601 4.569 4.643 . 0 0 "[ . 1 . 2]" 1 361 1 15 VAL H 1 58 ALA HA . . 5.500 5.394 5.312 5.504 0.004 13 0 "[ . 1 . 2]" 1 362 1 15 VAL H 1 58 ALA MB . . 4.280 4.142 4.001 4.284 0.004 5 0 "[ . 1 . 2]" 1 363 1 15 VAL H 1 59 ARG H . . 3.580 3.560 3.493 3.584 0.004 20 0 "[ . 1 . 2]" 1 364 1 15 VAL H 1 59 ARG QB . . 5.340 4.350 4.235 4.517 . 0 0 "[ . 1 . 2]" 1 365 1 15 VAL H 1 60 MET HA . . 3.830 3.206 3.119 3.386 . 0 0 "[ . 1 . 2]" 1 366 1 15 VAL H 1 61 GLN H . . 3.680 3.196 2.754 3.555 . 0 0 "[ . 1 . 2]" 1 367 1 15 VAL H 1 61 GLN HA . . 4.850 4.203 3.809 4.537 . 0 0 "[ . 1 . 2]" 1 368 1 15 VAL H 1 61 GLN HB2 . . 4.520 3.523 2.756 3.845 . 0 0 "[ . 1 . 2]" 1 369 1 15 VAL H 1 61 GLN HB3 . . 5.500 4.897 4.189 5.141 . 0 0 "[ . 1 . 2]" 1 370 1 15 VAL HA 1 15 VAL QG . . 2.840 2.341 2.335 2.354 . 0 0 "[ . 1 . 2]" 1 371 1 15 VAL HA 1 16 ALA H . . 2.750 2.164 2.158 2.167 . 0 0 "[ . 1 . 2]" 1 372 1 15 VAL HA 1 16 ALA MB . . 5.060 3.945 3.921 3.987 . 0 0 "[ . 1 . 2]" 1 373 1 15 VAL HA 1 40 THR H . . 4.970 4.820 4.717 4.840 . 0 0 "[ . 1 . 2]" 1 374 1 15 VAL HA 1 40 THR MG . . 5.240 4.778 4.628 4.875 . 0 0 "[ . 1 . 2]" 1 375 1 15 VAL HA 1 41 ALA H . . 4.760 4.543 4.488 4.629 . 0 0 "[ . 1 . 2]" 1 376 1 15 VAL HA 1 41 ALA HA . . 2.930 2.060 1.998 2.150 . 0 0 "[ . 1 . 2]" 1 377 1 15 VAL HA 1 41 ALA MB . . 3.770 3.564 3.515 3.645 . 0 0 "[ . 1 . 2]" 1 378 1 15 VAL HA 1 42 PHE H . . 3.320 2.693 2.634 2.748 . 0 0 "[ . 1 . 2]" 1 379 1 15 VAL HA 1 42 PHE QD . . 4.260 2.960 2.893 3.002 . 0 0 "[ . 1 . 2]" 1 380 1 15 VAL HA 1 42 PHE QE . . 4.960 3.141 3.052 3.196 . 0 0 "[ . 1 . 2]" 1 381 1 15 VAL HA 1 58 ALA MB . . 5.500 4.455 4.381 4.514 . 0 0 "[ . 1 . 2]" 1 382 1 15 VAL HB 1 16 ALA H . . 4.100 4.048 4.033 4.066 . 0 0 "[ . 1 . 2]" 1 383 1 15 VAL HB 1 39 GLY H . . 5.500 5.473 5.428 5.530 0.030 12 0 "[ . 1 . 2]" 1 384 1 15 VAL HB 1 41 ALA H . . 4.200 4.045 3.990 4.143 . 0 0 "[ . 1 . 2]" 1 385 1 15 VAL HB 1 41 ALA HA . . 4.650 2.225 2.210 2.249 . 0 0 "[ . 1 . 2]" 1 386 1 15 VAL HB 1 41 ALA MB . . 4.110 2.371 2.238 2.488 . 0 0 "[ . 1 . 2]" 1 387 1 15 VAL HB 1 61 GLN HA . . 5.060 4.691 4.296 5.064 0.004 9 0 "[ . 1 . 2]" 1 388 1 15 VAL QG 1 16 ALA H . . 3.080 2.251 2.225 2.299 . 0 0 "[ . 1 . 2]" 1 389 1 15 VAL QG 1 16 ALA HA . . 4.270 3.741 3.724 3.758 . 0 0 "[ . 1 . 2]" 1 390 1 15 VAL QG 1 16 ALA MB . . 4.020 3.425 3.400 3.449 . 0 0 "[ . 1 . 2]" 1 391 1 15 VAL QG 1 39 GLY H . . 3.460 2.648 2.611 2.701 . 0 0 "[ . 1 . 2]" 1 392 1 15 VAL QG 1 39 GLY HA2 . . 3.220 2.683 2.638 2.826 . 0 0 "[ . 1 . 2]" 1 393 1 15 VAL QG 1 39 GLY HA3 . . 4.120 3.813 3.762 3.963 . 0 0 "[ . 1 . 2]" 1 394 1 15 VAL QG 1 40 THR H . . 3.840 2.789 2.681 2.811 . 0 0 "[ . 1 . 2]" 1 395 1 15 VAL QG 1 40 THR HA . . 4.300 3.458 3.409 3.572 . 0 0 "[ . 1 . 2]" 1 396 1 15 VAL QG 1 40 THR HB . . 5.060 4.079 4.056 4.111 . 0 0 "[ . 1 . 2]" 1 397 1 15 VAL QG 1 41 ALA H . . 3.790 3.595 3.526 3.731 . 0 0 "[ . 1 . 2]" 1 398 1 15 VAL QG 1 41 ALA HA . . 3.230 2.953 2.930 3.001 . 0 0 "[ . 1 . 2]" 1 399 1 15 VAL QG 1 41 ALA MB . . 3.110 2.994 2.947 3.054 . 0 0 "[ . 1 . 2]" 1 400 1 15 VAL QG 1 42 PHE H . . 4.390 4.144 4.109 4.174 . 0 0 "[ . 1 . 2]" 1 401 1 15 VAL QG 1 42 PHE QD . . 4.710 4.064 4.049 4.092 . 0 0 "[ . 1 . 2]" 1 402 1 15 VAL QG 1 42 PHE QE . . 5.350 3.972 3.950 3.998 . 0 0 "[ . 1 . 2]" 1 403 1 15 VAL QG 1 60 MET H . . 5.440 4.746 4.634 4.964 . 0 0 "[ . 1 . 2]" 1 404 1 15 VAL QG 1 61 GLN H . . 3.910 3.312 2.839 3.659 . 0 0 "[ . 1 . 2]" 1 405 1 15 VAL QG 1 61 GLN HA . . 3.090 2.600 2.215 3.033 . 0 0 "[ . 1 . 2]" 1 406 1 15 VAL QG 1 61 GLN HB2 . . 3.280 2.475 1.970 2.793 . 0 0 "[ . 1 . 2]" 1 407 1 15 VAL QG 1 61 GLN HB3 . . 4.130 3.919 3.538 4.105 . 0 0 "[ . 1 . 2]" 1 408 1 15 VAL QG 1 61 GLN QE . . 4.270 3.456 3.320 3.655 . 0 0 "[ . 1 . 2]" 1 409 1 15 VAL QG 1 61 GLN QG . . 3.270 3.156 2.348 3.271 0.001 12 0 "[ . 1 . 2]" 1 410 1 15 VAL MG1 1 16 ALA HA . . 5.160 4.589 4.563 4.634 . 0 0 "[ . 1 . 2]" 1 411 1 15 VAL MG1 1 41 ALA HA . . 3.710 3.803 3.791 3.832 0.122 20 0 "[ . 1 . 2]" 1 412 1 15 VAL MG1 1 41 ALA MB . . 3.830 3.408 3.334 3.515 . 0 0 "[ . 1 . 2]" 1 413 1 15 VAL MG1 1 42 PHE H . . 5.060 4.991 4.972 5.006 . 0 0 "[ . 1 . 2]" 1 414 1 15 VAL MG1 1 61 GLN HE21 . . 5.500 4.012 3.583 4.797 . 0 0 "[ . 1 . 2]" 1 415 1 15 VAL MG1 1 61 GLN HE22 . . 5.500 4.762 4.150 5.127 . 0 0 "[ . 1 . 2]" 1 416 1 15 VAL MG2 1 16 ALA HA . . 5.160 3.964 3.944 3.974 . 0 0 "[ . 1 . 2]" 1 417 1 15 VAL MG2 1 41 ALA HA . . 3.710 3.078 3.047 3.136 . 0 0 "[ . 1 . 2]" 1 418 1 15 VAL MG2 1 41 ALA MB . . 3.830 3.321 3.225 3.387 . 0 0 "[ . 1 . 2]" 1 419 1 15 VAL MG2 1 42 PHE H . . 5.060 4.428 4.381 4.482 . 0 0 "[ . 1 . 2]" 1 420 1 15 VAL MG2 1 61 GLN HE21 . . 5.500 4.711 4.064 5.500 0.000 12 0 "[ . 1 . 2]" 1 421 1 15 VAL MG2 1 61 GLN HE22 . . 5.500 5.053 4.218 5.504 0.004 9 0 "[ . 1 . 2]" 1 422 1 16 ALA H 1 16 ALA MB . . 2.950 2.148 2.094 2.236 . 0 0 "[ . 1 . 2]" 1 423 1 16 ALA H 1 17 LEU H . . 4.640 4.614 4.590 4.631 . 0 0 "[ . 1 . 2]" 1 424 1 16 ALA H 1 36 VAL MG1 . . 4.840 4.103 4.064 4.140 . 0 0 "[ . 1 . 2]" 1 425 1 16 ALA H 1 36 VAL QG . . 4.150 3.649 3.595 3.681 . 0 0 "[ . 1 . 2]" 1 426 1 16 ALA H 1 36 VAL MG2 . . 4.840 4.090 4.008 4.144 . 0 0 "[ . 1 . 2]" 1 427 1 16 ALA H 1 38 PRO HA . . 5.070 4.831 4.764 4.878 . 0 0 "[ . 1 . 2]" 1 428 1 16 ALA H 1 39 GLY H . . 4.050 3.845 3.787 3.998 . 0 0 "[ . 1 . 2]" 1 429 1 16 ALA H 1 40 THR H . . 3.830 3.837 3.798 3.851 0.021 18 0 "[ . 1 . 2]" 1 430 1 16 ALA H 1 40 THR MG . . 5.250 4.827 4.714 4.901 . 0 0 "[ . 1 . 2]" 1 431 1 16 ALA H 1 41 ALA HA . . 3.900 3.846 3.788 3.913 0.013 20 0 "[ . 1 . 2]" 1 432 1 16 ALA H 1 41 ALA MB . . 5.300 5.154 5.111 5.214 . 0 0 "[ . 1 . 2]" 1 433 1 16 ALA H 1 42 PHE H . . 4.250 4.098 4.001 4.162 . 0 0 "[ . 1 . 2]" 1 434 1 16 ALA H 1 42 PHE QD . . 3.510 2.952 2.864 2.990 . 0 0 "[ . 1 . 2]" 1 435 1 16 ALA H 1 42 PHE QE . . 3.510 2.115 2.092 2.161 . 0 0 "[ . 1 . 2]" 1 436 1 16 ALA H 1 58 ALA MB . . 4.420 3.795 3.698 3.852 . 0 0 "[ . 1 . 2]" 1 437 1 16 ALA H 1 59 ARG H . . 5.100 4.830 4.730 4.997 . 0 0 "[ . 1 . 2]" 1 438 1 16 ALA HA 1 17 LEU H . . 2.810 2.232 2.192 2.311 . 0 0 "[ . 1 . 2]" 1 439 1 16 ALA HA 1 17 LEU MD2 . . 4.730 3.781 3.364 3.991 . 0 0 "[ . 1 . 2]" 1 440 1 16 ALA HA 1 17 LEU HG . . 4.490 3.431 3.334 3.485 . 0 0 "[ . 1 . 2]" 1 441 1 16 ALA HA 1 18 VAL H . . 3.950 3.812 3.768 3.901 . 0 0 "[ . 1 . 2]" 1 442 1 16 ALA HA 1 36 VAL MG1 . . 5.500 5.544 5.464 5.563 0.063 2 0 "[ . 1 . 2]" 1 443 1 16 ALA HA 1 36 VAL QG . . 4.620 4.145 4.024 4.194 . 0 0 "[ . 1 . 2]" 1 444 1 16 ALA HA 1 36 VAL MG2 . . 5.500 4.279 4.142 4.339 . 0 0 "[ . 1 . 2]" 1 445 1 16 ALA HA 1 42 PHE QD . . 5.210 5.182 5.078 5.226 0.016 20 0 "[ . 1 . 2]" 1 446 1 16 ALA HA 1 42 PHE QE . . 3.620 3.073 2.991 3.125 . 0 0 "[ . 1 . 2]" 1 447 1 16 ALA HA 1 52 MET ME . . 5.070 4.552 4.491 4.627 . 0 0 "[ . 1 . 2]" 1 448 1 16 ALA HA 1 58 ALA HA . . 3.400 2.154 2.070 2.257 . 0 0 "[ . 1 . 2]" 1 449 1 16 ALA HA 1 58 ALA MB . . 3.320 1.967 1.950 2.017 . 0 0 "[ . 1 . 2]" 1 450 1 16 ALA HA 1 59 ARG H . . 3.980 3.319 3.184 3.482 . 0 0 "[ . 1 . 2]" 1 451 1 16 ALA MB 1 17 LEU H . . 3.380 2.851 2.612 2.985 . 0 0 "[ . 1 . 2]" 1 452 1 16 ALA MB 1 17 LEU HA . . 5.500 4.184 4.122 4.240 . 0 0 "[ . 1 . 2]" 1 453 1 16 ALA MB 1 18 VAL H . . 3.380 2.994 2.705 3.179 . 0 0 "[ . 1 . 2]" 1 454 1 16 ALA MB 1 18 VAL QG . . 4.570 3.860 3.778 3.944 . 0 0 "[ . 1 . 2]" 1 455 1 16 ALA MB 1 20 LEU H . . 4.030 3.726 3.689 3.857 . 0 0 "[ . 1 . 2]" 1 456 1 16 ALA MB 1 20 LEU HA . . 5.500 5.527 5.497 5.562 0.062 19 0 "[ . 1 . 2]" 1 457 1 16 ALA MB 1 20 LEU HB3 . . 3.980 3.200 3.173 3.235 . 0 0 "[ . 1 . 2]" 1 458 1 16 ALA MB 1 20 LEU QD . . 4.330 3.527 3.456 3.558 . 0 0 "[ . 1 . 2]" 1 459 1 16 ALA MB 1 36 VAL H . . 4.780 4.573 4.490 4.639 . 0 0 "[ . 1 . 2]" 1 460 1 16 ALA MB 1 36 VAL HA . . 4.920 4.482 4.346 4.533 . 0 0 "[ . 1 . 2]" 1 461 1 16 ALA MB 1 36 VAL MG1 . . 3.350 3.336 3.310 3.373 0.023 16 0 "[ . 1 . 2]" 1 462 1 16 ALA MB 1 36 VAL QG . . 2.770 2.241 2.144 2.293 . 0 0 "[ . 1 . 2]" 1 463 1 16 ALA MB 1 36 VAL MG2 . . 3.350 2.278 2.171 2.335 . 0 0 "[ . 1 . 2]" 1 464 1 16 ALA MB 1 37 LEU HA . . 4.350 3.870 3.723 3.960 . 0 0 "[ . 1 . 2]" 1 465 1 16 ALA MB 1 38 PRO HA . . 3.150 2.892 2.809 3.042 . 0 0 "[ . 1 . 2]" 1 466 1 16 ALA MB 1 39 GLY H . . 3.350 3.307 3.263 3.403 0.053 11 0 "[ . 1 . 2]" 1 467 1 16 ALA MB 1 40 THR H . . 3.780 3.746 3.643 3.798 0.018 4 0 "[ . 1 . 2]" 1 468 1 16 ALA MB 1 40 THR HB . . 4.090 4.073 3.985 4.106 0.016 19 0 "[ . 1 . 2]" 1 469 1 16 ALA MB 1 42 PHE QD . . 3.680 3.460 3.294 3.626 . 0 0 "[ . 1 . 2]" 1 470 1 16 ALA MB 1 42 PHE QE . . 3.110 1.985 1.964 2.114 . 0 0 "[ . 1 . 2]" 1 471 1 16 ALA MB 1 58 ALA HA . . 4.100 3.668 3.568 3.769 . 0 0 "[ . 1 . 2]" 1 472 1 16 ALA MB 1 58 ALA MB . . 3.650 2.826 2.750 3.023 . 0 0 "[ . 1 . 2]" 1 473 1 17 LEU H 1 17 LEU HB2 . . 3.160 2.741 2.686 2.780 . 0 0 "[ . 1 . 2]" 1 474 1 17 LEU H 1 17 LEU MD1 . . 3.950 3.711 3.617 3.920 . 0 0 "[ . 1 . 2]" 1 475 1 17 LEU H 1 17 LEU MD2 . . 3.700 3.227 3.126 3.374 . 0 0 "[ . 1 . 2]" 1 476 1 17 LEU H 1 17 LEU HG . . 3.450 2.251 2.099 2.438 . 0 0 "[ . 1 . 2]" 1 477 1 17 LEU H 1 18 VAL H . . 2.910 2.099 2.001 2.203 . 0 0 "[ . 1 . 2]" 1 478 1 17 LEU H 1 18 VAL QG . . 3.880 3.355 3.228 3.482 . 0 0 "[ . 1 . 2]" 1 479 1 17 LEU H 1 42 PHE QE . . 5.450 5.188 5.105 5.265 . 0 0 "[ . 1 . 2]" 1 480 1 17 LEU H 1 58 ALA H . . 4.620 4.452 4.359 4.540 . 0 0 "[ . 1 . 2]" 1 481 1 17 LEU H 1 58 ALA HA . . 3.130 2.225 2.043 2.442 . 0 0 "[ . 1 . 2]" 1 482 1 17 LEU H 1 58 ALA MB . . 3.760 3.316 3.263 3.382 . 0 0 "[ . 1 . 2]" 1 483 1 17 LEU H 1 59 ARG H . . 4.740 3.957 3.699 4.231 . 0 0 "[ . 1 . 2]" 1 484 1 17 LEU HA 1 17 LEU HB3 . . 2.980 2.331 2.319 2.354 . 0 0 "[ . 1 . 2]" 1 485 1 17 LEU HA 1 17 LEU MD1 . . 4.090 3.944 3.881 3.973 . 0 0 "[ . 1 . 2]" 1 486 1 17 LEU HA 1 17 LEU MD2 . . 2.850 2.257 2.077 2.457 . 0 0 "[ . 1 . 2]" 1 487 1 17 LEU HA 1 17 LEU HG . . 3.580 3.351 3.288 3.460 . 0 0 "[ . 1 . 2]" 1 488 1 17 LEU HA 1 18 VAL QG . . 4.250 3.987 3.910 4.056 . 0 0 "[ . 1 . 2]" 1 489 1 17 LEU HA 1 38 PRO HA . . 4.730 3.038 2.921 3.185 . 0 0 "[ . 1 . 2]" 1 490 1 17 LEU HA 1 38 PRO HB2 . . 4.540 4.024 3.915 4.189 . 0 0 "[ . 1 . 2]" 1 491 1 17 LEU HA 1 38 PRO HB3 . . 4.780 3.802 3.558 4.024 . 0 0 "[ . 1 . 2]" 1 492 1 17 LEU HA 1 39 GLY H . . 4.620 4.054 3.964 4.164 . 0 0 "[ . 1 . 2]" 1 493 1 17 LEU HA 1 58 ALA HA . . 5.020 4.573 4.515 4.639 . 0 0 "[ . 1 . 2]" 1 494 1 17 LEU HA 1 58 ALA MB . . 5.500 5.519 5.510 5.535 0.035 9 0 "[ . 1 . 2]" 1 495 1 17 LEU HB2 1 17 LEU MD1 . . 3.040 2.302 2.214 2.435 . 0 0 "[ . 1 . 2]" 1 496 1 17 LEU HB2 1 18 VAL H . . 3.460 3.091 2.929 3.304 . 0 0 "[ . 1 . 2]" 1 497 1 17 LEU HB2 1 18 VAL QG . . 3.460 2.609 2.523 2.679 . 0 0 "[ . 1 . 2]" 1 498 1 17 LEU HB2 1 58 ALA HA . . 4.400 3.922 3.776 4.001 . 0 0 "[ . 1 . 2]" 1 499 1 17 LEU HB3 1 17 LEU MD1 . . 2.910 2.336 2.215 2.405 . 0 0 "[ . 1 . 2]" 1 500 1 17 LEU HB3 1 17 LEU MD2 . . 3.300 2.313 2.191 2.398 . 0 0 "[ . 1 . 2]" 1 501 1 17 LEU MD1 1 56 GLY H . . 5.500 5.498 5.396 5.510 0.010 17 0 "[ . 1 . 2]" 1 502 1 17 LEU MD1 1 56 GLY HA2 . . 4.310 4.140 3.811 4.248 . 0 0 "[ . 1 . 2]" 1 503 1 17 LEU MD1 1 56 GLY HA3 . . 5.190 5.091 4.550 5.194 0.004 8 0 "[ . 1 . 2]" 1 504 1 17 LEU MD1 1 57 LEU H . . 4.870 4.585 4.361 4.872 0.002 11 0 "[ . 1 . 2]" 1 505 1 17 LEU MD1 1 57 LEU HA . . 4.430 3.872 3.641 4.072 . 0 0 "[ . 1 . 2]" 1 506 1 17 LEU MD1 1 58 ALA H . . 3.940 3.810 3.678 3.922 . 0 0 "[ . 1 . 2]" 1 507 1 17 LEU MD1 1 58 ALA HA . . 3.720 3.318 3.208 3.492 . 0 0 "[ . 1 . 2]" 1 508 1 17 LEU MD1 1 59 ARG H . . 4.420 3.577 3.448 3.671 . 0 0 "[ . 1 . 2]" 1 509 1 17 LEU MD1 1 59 ARG HA . . 4.330 3.954 3.650 4.254 . 0 0 "[ . 1 . 2]" 1 510 1 17 LEU MD1 1 59 ARG HB2 . . 4.130 2.050 1.934 2.324 . 0 0 "[ . 1 . 2]" 1 511 1 17 LEU MD1 1 59 ARG QB . . 3.510 2.027 1.917 2.276 . 0 0 "[ . 1 . 2]" 1 512 1 17 LEU MD1 1 59 ARG HB3 . . 4.130 3.255 2.976 3.551 . 0 0 "[ . 1 . 2]" 1 513 1 17 LEU MD1 1 59 ARG QD . . 4.020 2.880 2.166 3.770 . 0 0 "[ . 1 . 2]" 1 514 1 17 LEU MD1 1 59 ARG QG . . 3.890 3.499 2.768 3.882 . 0 0 "[ . 1 . 2]" 1 515 1 17 LEU MD2 1 58 ALA HA . . 3.790 3.228 2.800 3.353 . 0 0 "[ . 1 . 2]" 1 516 1 17 LEU MD2 1 59 ARG H . . 3.740 2.508 2.179 2.792 . 0 0 "[ . 1 . 2]" 1 517 1 17 LEU MD2 1 59 ARG HA . . 4.510 4.095 3.804 4.335 . 0 0 "[ . 1 . 2]" 1 518 1 17 LEU MD2 1 59 ARG QB . . 3.370 1.953 1.818 2.286 . 0 0 "[ . 1 . 2]" 1 519 1 17 LEU MD2 1 59 ARG QD . . 3.480 3.018 2.695 3.317 . 0 0 "[ . 1 . 2]" 1 520 1 17 LEU MD2 1 59 ARG QG . . 4.060 3.745 3.513 4.062 0.002 19 0 "[ . 1 . 2]" 1 521 1 17 LEU HG 1 18 VAL H . . 4.230 4.040 3.905 4.180 . 0 0 "[ . 1 . 2]" 1 522 1 17 LEU HG 1 57 LEU H . . 5.500 5.505 5.503 5.509 0.009 8 0 "[ . 1 . 2]" 1 523 1 17 LEU HG 1 58 ALA H . . 4.310 4.057 3.804 4.156 . 0 0 "[ . 1 . 2]" 1 524 1 17 LEU HG 1 58 ALA HA . . 3.300 1.995 1.990 1.999 . 0 0 "[ . 1 . 2]" 1 525 1 17 LEU HG 1 59 ARG H . . 3.700 2.776 2.627 2.985 . 0 0 "[ . 1 . 2]" 1 526 1 18 VAL H 1 18 VAL MG1 . . 3.460 3.198 3.022 3.394 . 0 0 "[ . 1 . 2]" 1 527 1 18 VAL H 1 18 VAL QG . . 2.950 2.240 2.111 2.377 . 0 0 "[ . 1 . 2]" 1 528 1 18 VAL H 1 18 VAL MG2 . . 3.460 2.288 2.153 2.427 . 0 0 "[ . 1 . 2]" 1 529 1 18 VAL H 1 19 LYS H . . 4.490 4.410 4.379 4.435 . 0 0 "[ . 1 . 2]" 1 530 1 18 VAL H 1 20 LEU QD . . 4.920 4.710 4.676 4.756 . 0 0 "[ . 1 . 2]" 1 531 1 18 VAL H 1 38 PRO HA . . 4.480 3.539 3.412 3.692 . 0 0 "[ . 1 . 2]" 1 532 1 18 VAL H 1 38 PRO HB3 . . 4.170 3.577 3.429 3.751 . 0 0 "[ . 1 . 2]" 1 533 1 18 VAL H 1 58 ALA HA . . 4.660 4.169 4.002 4.381 . 0 0 "[ . 1 . 2]" 1 534 1 18 VAL HA 1 18 VAL MG1 . . 3.530 2.234 2.133 2.351 . 0 0 "[ . 1 . 2]" 1 535 1 18 VAL HA 1 18 VAL QG . . 2.940 2.192 2.103 2.293 . 0 0 "[ . 1 . 2]" 1 536 1 18 VAL HA 1 18 VAL MG2 . . 3.530 3.192 3.182 3.201 . 0 0 "[ . 1 . 2]" 1 537 1 18 VAL HA 1 19 LYS H . . 2.860 2.330 2.310 2.363 . 0 0 "[ . 1 . 2]" 1 538 1 18 VAL HA 1 38 PRO HA . . 4.680 3.760 3.708 3.786 . 0 0 "[ . 1 . 2]" 1 539 1 18 VAL HA 1 38 PRO HB3 . . 3.760 1.960 1.954 1.969 . 0 0 "[ . 1 . 2]" 1 540 1 18 VAL HA 1 38 PRO HD3 . . 4.930 3.648 3.153 3.856 . 0 0 "[ . 1 . 2]" 1 541 1 18 VAL HA 1 38 PRO HG2 . . 4.730 4.568 4.329 4.678 . 0 0 "[ . 1 . 2]" 1 542 1 18 VAL HA 1 38 PRO HG3 . . 3.770 3.227 2.899 3.400 . 0 0 "[ . 1 . 2]" 1 543 1 18 VAL HB 1 19 LYS H . . 2.930 2.558 2.474 2.610 . 0 0 "[ . 1 . 2]" 1 544 1 18 VAL HB 1 57 LEU HA . . 5.500 5.258 5.091 5.449 . 0 0 "[ . 1 . 2]" 1 545 1 18 VAL HB 1 57 LEU QD . . 4.760 4.080 3.839 4.401 . 0 0 "[ . 1 . 2]" 1 546 1 18 VAL QG 1 19 LYS H . . 3.400 3.236 3.189 3.271 . 0 0 "[ . 1 . 2]" 1 547 1 18 VAL QG 1 19 LYS QB . . 4.910 4.236 4.161 4.366 . 0 0 "[ . 1 . 2]" 1 548 1 18 VAL QG 1 20 LEU H . . 4.410 4.310 4.181 4.422 0.012 11 0 "[ . 1 . 2]" 1 549 1 18 VAL QG 1 20 LEU HB2 . . 3.560 2.977 2.816 3.125 . 0 0 "[ . 1 . 2]" 1 550 1 18 VAL QG 1 38 PRO HB3 . . 4.420 3.417 3.175 3.560 . 0 0 "[ . 1 . 2]" 1 551 1 18 VAL QG 1 38 PRO HG3 . . 5.100 4.406 3.995 4.620 . 0 0 "[ . 1 . 2]" 1 552 1 18 VAL QG 1 57 LEU HA . . 3.260 2.298 2.134 2.479 . 0 0 "[ . 1 . 2]" 1 553 1 18 VAL QG 1 57 LEU HB2 . . 4.850 3.612 3.473 3.975 . 0 0 "[ . 1 . 2]" 1 554 1 18 VAL QG 1 57 LEU HB3 . . 3.330 2.251 2.097 2.632 . 0 0 "[ . 1 . 2]" 1 555 1 18 VAL MG1 1 19 LYS H . . 3.920 3.590 3.498 3.699 . 0 0 "[ . 1 . 2]" 1 556 1 18 VAL MG1 1 38 PRO HB3 . . 5.450 3.535 3.249 3.713 . 0 0 "[ . 1 . 2]" 1 557 1 18 VAL MG1 1 57 LEU HA . . 4.250 3.879 3.612 4.210 . 0 0 "[ . 1 . 2]" 1 558 1 18 VAL MG2 1 19 LYS H . . 3.920 3.683 3.570 3.744 . 0 0 "[ . 1 . 2]" 1 559 1 18 VAL MG2 1 38 PRO HB3 . . 5.450 4.532 4.469 4.576 . 0 0 "[ . 1 . 2]" 1 560 1 18 VAL MG2 1 57 LEU HA . . 4.250 2.315 2.145 2.497 . 0 0 "[ . 1 . 2]" 1 561 1 19 LYS H 1 19 LYS HB2 . . 3.640 2.321 2.216 2.686 . 0 0 "[ . 1 . 2]" 1 562 1 19 LYS H 1 19 LYS QB . . 2.920 2.289 2.194 2.614 . 0 0 "[ . 1 . 2]" 1 563 1 19 LYS H 1 19 LYS HB3 . . 3.640 3.539 3.513 3.590 . 0 0 "[ . 1 . 2]" 1 564 1 19 LYS H 1 19 LYS QE . . 5.030 4.708 3.894 5.034 0.004 6 0 "[ . 1 . 2]" 1 565 1 19 LYS H 1 19 LYS HG2 . . 3.890 3.026 2.070 3.962 0.072 7 0 "[ . 1 . 2]" 1 566 1 19 LYS H 1 19 LYS QG . . 3.120 2.728 2.018 3.135 0.015 16 0 "[ . 1 . 2]" 1 567 1 19 LYS H 1 19 LYS HG3 . . 3.890 3.168 2.725 3.356 . 0 0 "[ . 1 . 2]" 1 568 1 19 LYS H 1 38 PRO HD2 . . 4.740 4.661 4.411 4.723 . 0 0 "[ . 1 . 2]" 1 569 1 19 LYS H 1 38 PRO HD3 . . 3.990 3.038 2.824 3.093 . 0 0 "[ . 1 . 2]" 1 570 1 19 LYS H 1 38 PRO HG3 . . 3.730 3.257 3.173 3.293 . 0 0 "[ . 1 . 2]" 1 571 1 19 LYS HA 1 19 LYS QD . . 3.890 3.225 2.997 3.707 . 0 0 "[ . 1 . 2]" 1 572 1 19 LYS HA 1 19 LYS QE . . 4.720 4.020 2.125 4.581 . 0 0 "[ . 1 . 2]" 1 573 1 19 LYS HA 1 19 LYS HG2 . . 3.820 2.384 2.161 3.526 . 0 0 "[ . 1 . 2]" 1 574 1 19 LYS HA 1 19 LYS QG . . 3.320 2.233 2.140 2.589 . 0 0 "[ . 1 . 2]" 1 575 1 19 LYS HA 1 19 LYS HG3 . . 3.820 3.408 2.266 3.791 . 0 0 "[ . 1 . 2]" 1 576 1 19 LYS HA 1 20 LEU H . . 2.680 2.174 2.162 2.180 . 0 0 "[ . 1 . 2]" 1 577 1 19 LYS HA 1 36 VAL H . . 5.500 5.513 5.466 5.543 0.043 20 0 "[ . 1 . 2]" 1 578 1 19 LYS HA 1 36 VAL QG . . 5.440 4.644 4.564 4.690 . 0 0 "[ . 1 . 2]" 1 579 1 19 LYS HA 1 37 LEU HA . . 3.540 2.820 2.598 2.873 . 0 0 "[ . 1 . 2]" 1 580 1 19 LYS HA 1 37 LEU MD1 . . 4.850 3.345 3.162 4.462 . 0 0 "[ . 1 . 2]" 1 581 1 19 LYS HA 1 37 LEU QD . . 4.250 3.141 3.006 3.988 . 0 0 "[ . 1 . 2]" 1 582 1 19 LYS HA 1 37 LEU MD2 . . 4.850 3.836 3.614 4.491 . 0 0 "[ . 1 . 2]" 1 583 1 19 LYS HA 1 38 PRO HD2 . . 4.070 3.900 3.816 3.924 . 0 0 "[ . 1 . 2]" 1 584 1 19 LYS HA 1 38 PRO HD3 . . 3.670 2.429 2.308 2.563 . 0 0 "[ . 1 . 2]" 1 585 1 19 LYS HA 1 38 PRO HG3 . . 5.050 4.315 4.197 4.540 . 0 0 "[ . 1 . 2]" 1 586 1 19 LYS QB 1 19 LYS QD . . 2.880 2.065 1.950 2.275 . 0 0 "[ . 1 . 2]" 1 587 1 19 LYS QB 1 19 LYS QE . . 3.600 3.178 2.119 3.615 0.015 16 0 "[ . 1 . 2]" 1 588 1 19 LYS QB 1 37 LEU HA . . 4.700 4.604 4.214 4.706 0.006 1 0 "[ . 1 . 2]" 1 589 1 19 LYS QB 1 37 LEU QD . . 4.440 3.654 3.248 4.274 . 0 0 "[ . 1 . 2]" 1 590 1 19 LYS QB 1 38 PRO HD3 . . 4.170 3.788 3.557 3.969 . 0 0 "[ . 1 . 2]" 1 591 1 19 LYS HB2 1 37 LEU HA . . 5.500 5.502 5.452 5.537 0.037 7 0 "[ . 1 . 2]" 1 592 1 19 LYS HB3 1 37 LEU HA . . 5.500 4.952 4.371 5.113 . 0 0 "[ . 1 . 2]" 1 593 1 19 LYS QD 1 20 LEU H . . 5.480 4.664 4.341 5.162 . 0 0 "[ . 1 . 2]" 1 594 1 19 LYS QD 1 37 LEU HA . . 4.850 3.932 3.423 4.472 . 0 0 "[ . 1 . 2]" 1 595 1 19 LYS QD 1 37 LEU MD1 . . 5.030 2.341 1.784 3.475 . 0 0 "[ . 1 . 2]" 1 596 1 19 LYS QD 1 37 LEU QD . . 4.360 2.231 1.776 3.384 . 0 0 "[ . 1 . 2]" 1 597 1 19 LYS QD 1 37 LEU MD2 . . 5.030 3.252 2.741 5.032 0.002 7 0 "[ . 1 . 2]" 1 598 1 19 LYS QD 1 38 PRO HD2 . . 4.300 3.953 2.809 4.278 . 0 0 "[ . 1 . 2]" 1 599 1 19 LYS QD 1 38 PRO HD3 . . 5.220 3.662 2.434 4.172 . 0 0 "[ . 1 . 2]" 1 600 1 19 LYS QD 1 38 PRO HG3 . . 5.110 4.551 1.985 5.111 0.001 14 0 "[ . 1 . 2]" 1 601 1 19 LYS QE 1 19 LYS HG2 . . 3.530 2.661 2.231 3.510 . 0 0 "[ . 1 . 2]" 1 602 1 19 LYS QE 1 19 LYS HG3 . . 3.530 2.441 1.993 3.338 . 0 0 "[ . 1 . 2]" 1 603 1 19 LYS QE 1 37 LEU QB . . 5.500 4.615 3.995 5.518 0.018 4 0 "[ . 1 . 2]" 1 604 1 19 LYS QE 1 37 LEU MD1 . . 4.600 2.405 1.970 4.130 . 0 0 "[ . 1 . 2]" 1 605 1 19 LYS QE 1 37 LEU QD . . 3.590 2.182 1.762 2.878 . 0 0 "[ . 1 . 2]" 1 606 1 19 LYS QE 1 37 LEU MD2 . . 4.600 3.435 1.986 4.621 0.021 16 0 "[ . 1 . 2]" 1 607 1 19 LYS QE 1 38 PRO HD2 . . 5.240 4.000 2.941 4.858 . 0 0 "[ . 1 . 2]" 1 608 1 19 LYS QE 1 38 PRO HD3 . . 4.930 4.021 3.102 4.669 . 0 0 "[ . 1 . 2]" 1 609 1 19 LYS QG 1 37 LEU HA . . 4.100 3.268 3.052 3.924 . 0 0 "[ . 1 . 2]" 1 610 1 19 LYS QG 1 38 PRO HD2 . . 4.660 2.889 2.770 3.149 . 0 0 "[ . 1 . 2]" 1 611 1 19 LYS QG 1 38 PRO HD3 . . 3.880 2.097 1.983 2.261 . 0 0 "[ . 1 . 2]" 1 612 1 19 LYS HG2 1 38 PRO HD2 . . 5.440 3.088 2.820 4.510 . 0 0 "[ . 1 . 2]" 1 613 1 19 LYS HG3 1 38 PRO HD2 . . 5.440 4.162 2.980 4.731 . 0 0 "[ . 1 . 2]" 1 614 1 20 LEU H 1 20 LEU HB2 . . 3.570 3.353 3.327 3.398 . 0 0 "[ . 1 . 2]" 1 615 1 20 LEU H 1 20 LEU HB3 . . 3.220 2.675 2.661 2.705 . 0 0 "[ . 1 . 2]" 1 616 1 20 LEU H 1 20 LEU QD . . 4.440 4.000 3.990 4.012 . 0 0 "[ . 1 . 2]" 1 617 1 20 LEU H 1 20 LEU HG . . 4.950 4.349 4.334 4.371 . 0 0 "[ . 1 . 2]" 1 618 1 20 LEU H 1 21 HIS H . . 4.570 4.365 4.347 4.377 . 0 0 "[ . 1 . 2]" 1 619 1 20 LEU H 1 35 PHE HA . . 5.500 5.525 5.316 5.560 0.060 19 0 "[ . 1 . 2]" 1 620 1 20 LEU H 1 36 VAL QG . . 3.930 3.146 3.080 3.190 . 0 0 "[ . 1 . 2]" 1 621 1 20 LEU H 1 37 LEU HA . . 3.800 3.674 3.412 3.713 . 0 0 "[ . 1 . 2]" 1 622 1 20 LEU H 1 37 LEU QD . . 4.570 4.009 3.904 4.688 0.118 11 0 "[ . 1 . 2]" 1 623 1 20 LEU H 1 38 PRO HD2 . . 5.500 5.595 5.501 5.621 0.121 16 0 "[ . 1 . 2]" 1 624 1 20 LEU H 1 38 PRO HD3 . . 4.500 4.219 4.199 4.273 . 0 0 "[ . 1 . 2]" 1 625 1 20 LEU HA 1 20 LEU QD . . 3.570 2.517 2.438 2.538 . 0 0 "[ . 1 . 2]" 1 626 1 20 LEU HA 1 20 LEU HG . . 3.290 3.087 3.076 3.097 . 0 0 "[ . 1 . 2]" 1 627 1 20 LEU HA 1 21 HIS H . . 2.830 2.224 2.211 2.230 . 0 0 "[ . 1 . 2]" 1 628 1 20 LEU HA 1 21 HIS HA . . 4.950 4.363 4.362 4.365 . 0 0 "[ . 1 . 2]" 1 629 1 20 LEU HA 1 21 HIS QB . . 4.330 4.272 4.182 4.327 . 0 0 "[ . 1 . 2]" 1 630 1 20 LEU HA 1 21 HIS HD2 . . 4.720 3.443 3.257 3.660 . 0 0 "[ . 1 . 2]" 1 631 1 20 LEU HA 1 22 THR H . . 5.500 5.602 5.593 5.608 0.108 11 0 "[ . 1 . 2]" 1 632 1 20 LEU HA 1 36 VAL QG . . 5.190 4.617 4.528 4.672 . 0 0 "[ . 1 . 2]" 1 633 1 20 LEU HB2 1 20 LEU QD . . 3.090 1.986 1.977 2.010 . 0 0 "[ . 1 . 2]" 1 634 1 20 LEU HB3 1 20 LEU QD . . 2.910 2.171 2.162 2.190 . 0 0 "[ . 1 . 2]" 1 635 1 20 LEU HB3 1 20 LEU HG . . 2.980 2.594 2.576 2.600 . 0 0 "[ . 1 . 2]" 1 636 1 20 LEU HB3 1 21 HIS H . . 4.330 4.076 4.047 4.103 . 0 0 "[ . 1 . 2]" 1 637 1 20 LEU HB3 1 22 THR HB . . 4.780 4.693 4.567 4.720 . 0 0 "[ . 1 . 2]" 1 638 1 20 LEU HB3 1 22 THR MG . . 5.080 4.948 4.875 4.997 . 0 0 "[ . 1 . 2]" 1 639 1 20 LEU HB3 1 36 VAL QG . . 3.480 3.004 2.654 3.112 . 0 0 "[ . 1 . 2]" 1 640 1 20 LEU HB3 1 52 MET ME . . 4.610 4.205 4.136 4.302 . 0 0 "[ . 1 . 2]" 1 641 1 20 LEU QD 1 21 HIS H . . 4.240 2.356 2.283 2.541 . 0 0 "[ . 1 . 2]" 1 642 1 20 LEU QD 1 21 HIS HA . . 5.500 4.302 4.282 4.342 . 0 0 "[ . 1 . 2]" 1 643 1 20 LEU QD 1 21 HIS QB . . 3.860 3.708 3.632 3.804 . 0 0 "[ . 1 . 2]" 1 644 1 20 LEU QD 1 21 HIS HD2 . . 4.910 4.686 4.570 4.834 . 0 0 "[ . 1 . 2]" 1 645 1 20 LEU QD 1 22 THR HB . . 3.960 2.731 2.706 2.773 . 0 0 "[ . 1 . 2]" 1 646 1 20 LEU QD 1 22 THR MG . . 3.680 3.719 3.700 3.730 0.050 12 0 "[ . 1 . 2]" 1 647 1 20 LEU QD 1 36 VAL QG . . 3.530 3.168 2.917 3.253 . 0 0 "[ . 1 . 2]" 1 648 1 20 LEU QD 1 52 MET ME . . 2.830 1.972 1.927 2.087 . 0 0 "[ . 1 . 2]" 1 649 1 20 LEU QD 1 52 MET HG2 . . 5.500 5.267 4.991 5.479 . 0 0 "[ . 1 . 2]" 1 650 1 20 LEU QD 1 57 LEU HA . . 4.340 4.312 4.211 4.345 0.005 10 0 "[ . 1 . 2]" 1 651 1 20 LEU QD 1 57 LEU HB2 . . 3.210 2.153 2.031 2.323 . 0 0 "[ . 1 . 2]" 1 652 1 20 LEU QD 1 57 LEU HB3 . . 2.690 2.541 2.369 2.625 . 0 0 "[ . 1 . 2]" 1 653 1 20 LEU QD 1 58 ALA HA . . 5.500 4.844 4.705 4.978 . 0 0 "[ . 1 . 2]" 1 654 1 20 LEU QD 1 58 ALA MB . . 3.760 3.225 3.017 3.378 . 0 0 "[ . 1 . 2]" 1 655 1 20 LEU HG 1 21 HIS H . . 4.000 2.544 2.518 2.596 . 0 0 "[ . 1 . 2]" 1 656 1 20 LEU HG 1 21 HIS QB . . 4.390 4.178 4.152 4.218 . 0 0 "[ . 1 . 2]" 1 657 1 20 LEU HG 1 22 THR HB . . 4.490 3.423 3.311 3.462 . 0 0 "[ . 1 . 2]" 1 658 1 20 LEU HG 1 22 THR MG . . 4.400 4.424 4.412 4.430 0.030 12 0 "[ . 1 . 2]" 1 659 1 20 LEU HG 1 36 VAL H . . 5.240 4.858 4.592 4.917 . 0 0 "[ . 1 . 2]" 1 660 1 20 LEU HG 1 36 VAL QG . . 4.070 3.685 3.502 3.754 . 0 0 "[ . 1 . 2]" 1 661 1 20 LEU HG 1 52 MET ME . . 3.920 3.752 3.669 3.885 . 0 0 "[ . 1 . 2]" 1 662 1 21 HIS H 1 21 HIS HB2 . . 3.640 2.346 2.277 2.398 . 0 0 "[ . 1 . 2]" 1 663 1 21 HIS H 1 21 HIS QB . . 3.050 2.317 2.251 2.367 . 0 0 "[ . 1 . 2]" 1 664 1 21 HIS H 1 21 HIS HB3 . . 3.640 3.597 3.537 3.631 . 0 0 "[ . 1 . 2]" 1 665 1 21 HIS H 1 22 THR H . . 4.300 4.236 4.228 4.248 . 0 0 "[ . 1 . 2]" 1 666 1 21 HIS H 1 35 PHE HB2 . . 5.410 5.406 5.236 5.432 0.022 4 0 "[ . 1 . 2]" 1 667 1 21 HIS H 1 36 VAL QG . . 5.140 4.648 4.597 4.688 . 0 0 "[ . 1 . 2]" 1 668 1 21 HIS HA 1 21 HIS HD2 . . 4.080 2.893 2.604 3.159 . 0 0 "[ . 1 . 2]" 1 669 1 21 HIS HA 1 22 THR H . . 2.550 2.165 2.164 2.166 . 0 0 "[ . 1 . 2]" 1 670 1 21 HIS HA 1 22 THR MG . . 4.360 3.906 3.872 4.014 . 0 0 "[ . 1 . 2]" 1 671 1 21 HIS HA 1 35 PHE HA . . 3.210 1.956 1.942 1.971 . 0 0 "[ . 1 . 2]" 1 672 1 21 HIS HA 1 35 PHE HB2 . . 5.000 3.156 2.984 3.195 . 0 0 "[ . 1 . 2]" 1 673 1 21 HIS HA 1 35 PHE HB3 . . 4.470 3.389 2.990 3.467 . 0 0 "[ . 1 . 2]" 1 674 1 21 HIS HA 1 35 PHE QD . . 4.900 4.849 4.684 4.882 . 0 0 "[ . 1 . 2]" 1 675 1 21 HIS HA 1 36 VAL H . . 3.680 2.833 2.769 3.014 . 0 0 "[ . 1 . 2]" 1 676 1 21 HIS QB 1 22 THR H . . 3.760 3.596 3.581 3.625 . 0 0 "[ . 1 . 2]" 1 677 1 21 HIS QB 1 35 PHE HA . . 4.730 3.609 3.538 3.865 . 0 0 "[ . 1 . 2]" 1 678 1 21 HIS HD2 1 35 PHE HA . . 4.560 4.088 3.628 4.459 . 0 0 "[ . 1 . 2]" 1 679 1 21 HIS HD2 1 35 PHE HB2 . . 4.660 3.218 2.755 3.641 . 0 0 "[ . 1 . 2]" 1 680 1 21 HIS HD2 1 35 PHE HB3 . . 4.670 4.118 3.691 4.527 . 0 0 "[ . 1 . 2]" 1 681 1 22 THR H 1 22 THR HB . . 3.930 2.922 2.907 2.935 . 0 0 "[ . 1 . 2]" 1 682 1 22 THR H 1 22 THR MG . . 3.240 2.038 2.006 2.143 . 0 0 "[ . 1 . 2]" 1 683 1 22 THR H 1 35 PHE H . . 4.730 4.356 4.284 4.464 . 0 0 "[ . 1 . 2]" 1 684 1 22 THR H 1 35 PHE HA . . 3.250 2.327 2.051 2.386 . 0 0 "[ . 1 . 2]" 1 685 1 22 THR H 1 35 PHE HB2 . . 4.700 4.584 4.329 4.647 . 0 0 "[ . 1 . 2]" 1 686 1 22 THR H 1 35 PHE HB3 . . 4.760 4.585 4.193 4.668 . 0 0 "[ . 1 . 2]" 1 687 1 22 THR HA 1 22 THR HB . . 2.960 2.488 2.477 2.522 . 0 0 "[ . 1 . 2]" 1 688 1 22 THR HA 1 22 THR MG . . 3.230 3.194 3.192 3.197 . 0 0 "[ . 1 . 2]" 1 689 1 22 THR HA 1 23 ASP H . . 2.780 2.242 2.216 2.261 . 0 0 "[ . 1 . 2]" 1 690 1 22 THR HA 1 23 ASP HA . . 5.050 4.385 4.378 4.394 . 0 0 "[ . 1 . 2]" 1 691 1 22 THR HA 1 24 ALA H . . 5.300 5.293 5.250 5.316 0.016 4 0 "[ . 1 . 2]" 1 692 1 22 THR HA 1 24 ALA MB . . 5.320 5.255 5.196 5.333 0.013 3 0 "[ . 1 . 2]" 1 693 1 22 THR HA 1 34 ALA HA . . 5.500 5.531 5.503 5.562 0.062 19 0 "[ . 1 . 2]" 1 694 1 22 THR HA 1 52 MET ME . . 4.640 3.863 3.755 4.061 . 0 0 "[ . 1 . 2]" 1 695 1 22 THR HB 1 23 ASP H . . 4.320 4.042 3.999 4.117 . 0 0 "[ . 1 . 2]" 1 696 1 22 THR HB 1 24 ALA MB . . 5.030 4.956 4.921 5.011 . 0 0 "[ . 1 . 2]" 1 697 1 22 THR HB 1 35 PHE HA . . 5.500 5.152 4.817 5.239 . 0 0 "[ . 1 . 2]" 1 698 1 22 THR HB 1 36 VAL MG1 . . 5.500 4.382 4.108 4.490 . 0 0 "[ . 1 . 2]" 1 699 1 22 THR HB 1 36 VAL QG . . 4.450 2.874 2.667 2.935 . 0 0 "[ . 1 . 2]" 1 700 1 22 THR HB 1 36 VAL MG2 . . 5.500 2.914 2.702 2.975 . 0 0 "[ . 1 . 2]" 1 701 1 22 THR HB 1 42 PHE QD . . 5.500 5.512 5.505 5.532 0.032 20 0 "[ . 1 . 2]" 1 702 1 22 THR HB 1 42 PHE QE . . 5.410 4.140 4.035 4.281 . 0 0 "[ . 1 . 2]" 1 703 1 22 THR HB 1 52 MET ME . . 3.600 2.013 1.920 2.276 . 0 0 "[ . 1 . 2]" 1 704 1 22 THR HB 1 52 MET HG3 . . 5.500 5.268 4.981 5.512 0.012 11 0 "[ . 1 . 2]" 1 705 1 22 THR MG 1 23 ASP H . . 4.120 3.675 3.567 3.732 . 0 0 "[ . 1 . 2]" 1 706 1 22 THR MG 1 23 ASP HA . . 4.850 3.968 3.830 4.034 . 0 0 "[ . 1 . 2]" 1 707 1 22 THR MG 1 24 ALA H . . 3.970 3.331 3.211 3.374 . 0 0 "[ . 1 . 2]" 1 708 1 22 THR MG 1 24 ALA HA . . 5.190 5.005 4.804 5.095 . 0 0 "[ . 1 . 2]" 1 709 1 22 THR MG 1 24 ALA MB . . 3.080 2.804 2.659 3.025 . 0 0 "[ . 1 . 2]" 1 710 1 22 THR MG 1 33 VAL HA . . 5.500 4.856 4.754 5.002 . 0 0 "[ . 1 . 2]" 1 711 1 22 THR MG 1 33 VAL HB . . 4.580 3.311 3.245 3.402 . 0 0 "[ . 1 . 2]" 1 712 1 22 THR MG 1 33 VAL MG1 . . 3.810 2.102 1.975 2.204 . 0 0 "[ . 1 . 2]" 1 713 1 22 THR MG 1 33 VAL QG . . 3.140 2.093 1.969 2.193 . 0 0 "[ . 1 . 2]" 1 714 1 22 THR MG 1 33 VAL MG2 . . 3.810 3.921 3.838 3.970 0.160 18 0 "[ . 1 . 2]" 1 715 1 22 THR MG 1 34 ALA HA . . 4.820 4.442 4.383 4.529 . 0 0 "[ . 1 . 2]" 1 716 1 22 THR MG 1 35 PHE H . . 4.590 4.042 3.970 4.228 . 0 0 "[ . 1 . 2]" 1 717 1 22 THR MG 1 35 PHE HA . . 4.190 3.375 3.166 3.418 . 0 0 "[ . 1 . 2]" 1 718 1 22 THR MG 1 35 PHE HB3 . . 5.500 5.466 5.257 5.520 0.020 19 0 "[ . 1 . 2]" 1 719 1 22 THR MG 1 36 VAL H . . 3.920 3.211 2.975 3.265 . 0 0 "[ . 1 . 2]" 1 720 1 22 THR MG 1 36 VAL QG . . 2.880 1.736 1.719 1.744 . 0 0 "[ . 1 . 2]" 1 721 1 22 THR MG 1 42 PHE HB2 . . 5.500 4.319 4.265 4.379 . 0 0 "[ . 1 . 2]" 1 722 1 22 THR MG 1 42 PHE QD . . 3.870 3.284 3.255 3.334 . 0 0 "[ . 1 . 2]" 1 723 1 22 THR MG 1 42 PHE QE . . 3.830 2.904 2.800 3.085 . 0 0 "[ . 1 . 2]" 1 724 1 22 THR MG 1 44 VAL QG . . 4.080 3.410 3.327 3.493 . 0 0 "[ . 1 . 2]" 1 725 1 22 THR MG 1 48 VAL QG . . 5.170 4.549 4.471 4.686 . 0 0 "[ . 1 . 2]" 1 726 1 22 THR MG 1 52 MET ME . . 3.080 2.609 2.403 2.760 . 0 0 "[ . 1 . 2]" 1 727 1 22 THR MG 1 58 ALA MB . . 5.500 4.805 4.726 4.961 . 0 0 "[ . 1 . 2]" 1 728 1 23 ASP H 1 23 ASP HB2 . . 3.780 2.782 2.330 3.687 . 0 0 "[ . 1 . 2]" 1 729 1 23 ASP H 1 23 ASP QB . . 3.180 2.506 2.296 2.999 . 0 0 "[ . 1 . 2]" 1 730 1 23 ASP H 1 23 ASP HB3 . . 3.780 3.106 2.506 3.737 . 0 0 "[ . 1 . 2]" 1 731 1 23 ASP H 1 24 ALA HA . . 5.130 5.008 4.956 5.056 . 0 0 "[ . 1 . 2]" 1 732 1 23 ASP HA 1 24 ALA H . . 2.760 2.258 2.255 2.265 . 0 0 "[ . 1 . 2]" 1 733 1 23 ASP HA 1 24 ALA MB . . 4.560 4.178 4.163 4.220 . 0 0 "[ . 1 . 2]" 1 734 1 23 ASP HA 1 33 VAL MG1 . . 5.500 4.206 3.796 4.373 . 0 0 "[ . 1 . 2]" 1 735 1 23 ASP HA 1 33 VAL MG2 . . 5.500 5.419 5.260 5.515 0.015 20 0 "[ . 1 . 2]" 1 736 1 23 ASP HA 1 34 ALA HA . . 3.750 2.714 2.621 2.803 . 0 0 "[ . 1 . 2]" 1 737 1 23 ASP HA 1 34 ALA MB . . 4.650 4.188 4.091 4.276 . 0 0 "[ . 1 . 2]" 1 738 1 23 ASP HA 1 35 PHE H . . 5.500 5.482 5.438 5.513 0.013 11 0 "[ . 1 . 2]" 1 739 1 24 ALA H 1 24 ALA MB . . 3.100 2.519 2.421 2.602 . 0 0 "[ . 1 . 2]" 1 740 1 24 ALA H 1 25 LEU H . . 4.380 4.216 4.093 4.441 0.061 20 0 "[ . 1 . 2]" 1 741 1 24 ALA H 1 25 LEU HA . . 5.140 4.751 4.638 4.970 . 0 0 "[ . 1 . 2]" 1 742 1 24 ALA H 1 25 LEU HB2 . . 5.500 5.503 5.422 5.549 0.049 4 0 "[ . 1 . 2]" 1 743 1 24 ALA H 1 33 VAL H . . 3.880 3.472 3.307 3.688 . 0 0 "[ . 1 . 2]" 1 744 1 24 ALA H 1 33 VAL HB . . 4.350 2.213 2.065 2.272 . 0 0 "[ . 1 . 2]" 1 745 1 24 ALA H 1 33 VAL MG1 . . 4.580 3.268 2.825 3.396 . 0 0 "[ . 1 . 2]" 1 746 1 24 ALA H 1 33 VAL MG2 . . 4.580 3.810 3.703 3.904 . 0 0 "[ . 1 . 2]" 1 747 1 24 ALA H 1 42 PHE QD . . 5.500 5.470 5.358 5.526 0.026 3 0 "[ . 1 . 2]" 1 748 1 24 ALA H 1 44 VAL QG . . 4.870 4.468 4.383 4.640 . 0 0 "[ . 1 . 2]" 1 749 1 24 ALA HA 1 25 LEU H . . 3.170 2.234 2.143 2.591 . 0 0 "[ . 1 . 2]" 1 750 1 24 ALA HA 1 25 LEU QD . . 5.440 4.396 4.194 4.864 . 0 0 "[ . 1 . 2]" 1 751 1 24 ALA HA 1 33 VAL HB . . 5.500 4.291 4.076 4.469 . 0 0 "[ . 1 . 2]" 1 752 1 24 ALA HA 1 33 VAL QG . . 5.390 4.502 4.365 4.625 . 0 0 "[ . 1 . 2]" 1 753 1 24 ALA HA 1 44 VAL HA . . 5.110 4.945 4.825 5.076 . 0 0 "[ . 1 . 2]" 1 754 1 24 ALA HA 1 44 VAL QG . . 3.840 3.882 3.765 3.984 0.144 19 0 "[ . 1 . 2]" 1 755 1 24 ALA MB 1 25 LEU H . . 3.530 3.094 2.234 3.360 . 0 0 "[ . 1 . 2]" 1 756 1 24 ALA MB 1 26 HIS H . . 5.360 4.871 4.725 5.317 . 0 0 "[ . 1 . 2]" 1 757 1 24 ALA MB 1 33 VAL H . . 4.740 4.207 3.534 4.718 . 0 0 "[ . 1 . 2]" 1 758 1 24 ALA MB 1 33 VAL MG1 . . 3.520 3.275 2.927 3.478 . 0 0 "[ . 1 . 2]" 1 759 1 24 ALA MB 1 33 VAL QG . . 2.910 2.665 2.296 2.928 0.018 13 0 "[ . 1 . 2]" 1 760 1 24 ALA MB 1 33 VAL MG2 . . 3.520 2.827 2.380 3.152 . 0 0 "[ . 1 . 2]" 1 761 1 24 ALA MB 1 36 VAL QG . . 4.980 4.291 4.085 4.416 . 0 0 "[ . 1 . 2]" 1 762 1 24 ALA MB 1 42 PHE HB2 . . 4.130 4.044 3.776 4.165 0.035 18 0 "[ . 1 . 2]" 1 763 1 24 ALA MB 1 42 PHE QD . . 3.120 3.022 2.917 3.066 . 0 0 "[ . 1 . 2]" 1 764 1 24 ALA MB 1 42 PHE QE . . 3.600 3.607 3.583 3.628 0.028 20 0 "[ . 1 . 2]" 1 765 1 24 ALA MB 1 44 VAL H . . 5.080 4.882 4.795 5.048 . 0 0 "[ . 1 . 2]" 1 766 1 24 ALA MB 1 44 VAL HA . . 4.250 2.861 2.747 3.047 . 0 0 "[ . 1 . 2]" 1 767 1 24 ALA MB 1 44 VAL HB . . 4.820 2.945 2.802 3.359 . 0 0 "[ . 1 . 2]" 1 768 1 24 ALA MB 1 44 VAL MG1 . . 4.050 1.861 1.822 2.014 . 0 0 "[ . 1 . 2]" 1 769 1 24 ALA MB 1 44 VAL QG . . 2.920 1.857 1.819 2.009 . 0 0 "[ . 1 . 2]" 1 770 1 24 ALA MB 1 44 VAL MG2 . . 4.050 3.872 3.768 4.084 0.034 20 0 "[ . 1 . 2]" 1 771 1 24 ALA MB 1 52 MET ME . . 4.320 4.247 4.068 4.320 0.000 19 0 "[ . 1 . 2]" 1 772 1 25 LEU H 1 25 LEU HB2 . . 3.150 2.349 2.161 2.907 . 0 0 "[ . 1 . 2]" 1 773 1 25 LEU H 1 25 LEU HB3 . . 3.340 3.193 3.071 3.375 0.035 20 0 "[ . 1 . 2]" 1 774 1 25 LEU H 1 25 LEU QD . . 3.900 3.398 3.176 3.687 . 0 0 "[ . 1 . 2]" 1 775 1 25 LEU HA 1 25 LEU MD1 . . 3.400 2.269 1.976 3.142 . 0 0 "[ . 1 . 2]" 1 776 1 25 LEU HA 1 25 LEU QD . . 2.910 2.034 1.838 2.903 . 0 0 "[ . 1 . 2]" 1 777 1 25 LEU HA 1 25 LEU MD2 . . 3.400 2.325 1.967 3.430 0.030 13 0 "[ . 1 . 2]" 1 778 1 25 LEU HA 1 25 LEU HG . . 3.820 3.411 2.139 3.642 . 0 0 "[ . 1 . 2]" 1 779 1 25 LEU HA 1 26 HIS H . . 2.880 2.153 2.140 2.212 . 0 0 "[ . 1 . 2]" 1 780 1 25 LEU HA 1 26 HIS HA . . 5.500 4.361 4.323 4.371 . 0 0 "[ . 1 . 2]" 1 781 1 25 LEU HA 1 32 PRO HA . . 3.430 2.128 1.971 2.196 . 0 0 "[ . 1 . 2]" 1 782 1 25 LEU HA 1 32 PRO HB2 . . 4.900 4.282 4.110 4.334 . 0 0 "[ . 1 . 2]" 1 783 1 25 LEU HA 1 32 PRO HB3 . . 4.900 3.697 3.616 3.755 . 0 0 "[ . 1 . 2]" 1 784 1 25 LEU HA 1 33 VAL H . . 3.410 2.777 2.717 2.948 . 0 0 "[ . 1 . 2]" 1 785 1 25 LEU HA 1 33 VAL HA . . 5.460 5.483 5.331 5.533 0.073 14 0 "[ . 1 . 2]" 1 786 1 25 LEU HA 1 33 VAL HB . . 5.380 4.455 4.269 4.543 . 0 0 "[ . 1 . 2]" 1 787 1 25 LEU HA 1 33 VAL QG . . 4.730 3.401 3.209 3.509 . 0 0 "[ . 1 . 2]" 1 788 1 25 LEU HB2 1 25 LEU MD1 . . 3.350 3.013 2.011 3.194 . 0 0 "[ . 1 . 2]" 1 789 1 25 LEU HB2 1 25 LEU MD2 . . 3.350 2.388 2.219 2.909 . 0 0 "[ . 1 . 2]" 1 790 1 25 LEU HB2 1 25 LEU HG . . 2.870 2.519 2.381 2.873 0.003 13 0 "[ . 1 . 2]" 1 791 1 25 LEU HB2 1 26 HIS H . . 4.700 4.471 4.318 4.510 . 0 0 "[ . 1 . 2]" 1 792 1 25 LEU HB3 1 25 LEU MD1 . . 3.390 2.467 2.173 2.958 . 0 0 "[ . 1 . 2]" 1 793 1 25 LEU HB3 1 25 LEU QD . . 2.940 2.282 2.073 2.370 . 0 0 "[ . 1 . 2]" 1 794 1 25 LEU HB3 1 25 LEU MD2 . . 3.390 3.030 2.118 3.197 . 0 0 "[ . 1 . 2]" 1 795 1 25 LEU HB3 1 25 LEU HG . . 2.830 2.472 2.367 2.826 . 0 0 "[ . 1 . 2]" 1 796 1 25 LEU HB3 1 26 HIS H . . 3.810 3.686 3.422 3.755 . 0 0 "[ . 1 . 2]" 1 797 1 25 LEU HB3 1 27 ALA MB . . 5.500 5.058 4.800 5.281 . 0 0 "[ . 1 . 2]" 1 798 1 25 LEU HB3 1 32 PRO HA . . 4.890 4.496 4.180 4.646 . 0 0 "[ . 1 . 2]" 1 799 1 25 LEU QD 1 26 HIS H . . 3.140 2.422 2.099 3.175 0.035 18 0 "[ . 1 . 2]" 1 800 1 25 LEU QD 1 26 HIS QB . . 3.780 3.373 3.207 3.896 0.116 19 0 "[ . 1 . 2]" 1 801 1 25 LEU QD 1 27 ALA HA . . 4.920 4.738 4.364 4.908 . 0 0 "[ . 1 . 2]" 1 802 1 25 LEU QD 1 32 PRO HA . . 3.040 2.003 1.769 2.946 . 0 0 "[ . 1 . 2]" 1 803 1 25 LEU QD 1 32 PRO QB . . 3.420 1.778 1.693 2.087 . 0 0 "[ . 1 . 2]" 1 804 1 25 LEU QD 1 32 PRO QD . . 4.110 3.029 2.916 3.457 . 0 0 "[ . 1 . 2]" 1 805 1 25 LEU QD 1 32 PRO QG . . 3.720 3.129 3.039 3.366 . 0 0 "[ . 1 . 2]" 1 806 1 25 LEU QD 1 33 VAL H . . 3.040 2.535 2.215 3.154 0.114 19 0 "[ . 1 . 2]" 1 807 1 25 LEU MD1 1 32 PRO HA . . 3.480 2.154 1.954 3.199 . 0 0 "[ . 1 . 2]" 1 808 1 25 LEU MD1 1 32 PRO HD2 . . 5.430 4.471 4.250 5.487 0.057 18 0 "[ . 1 . 2]" 1 809 1 25 LEU MD1 1 32 PRO HD3 . . 5.430 3.315 3.043 4.558 . 0 0 "[ . 1 . 2]" 1 810 1 25 LEU MD1 1 32 PRO HG2 . . 4.970 4.365 4.275 4.553 . 0 0 "[ . 1 . 2]" 1 811 1 25 LEU MD1 1 32 PRO HG3 . . 4.970 3.608 3.454 3.890 . 0 0 "[ . 1 . 2]" 1 812 1 25 LEU MD2 1 32 PRO HA . . 3.480 2.390 1.995 3.459 . 0 0 "[ . 1 . 2]" 1 813 1 25 LEU MD2 1 32 PRO HD2 . . 5.430 5.119 5.069 5.163 . 0 0 "[ . 1 . 2]" 1 814 1 25 LEU MD2 1 32 PRO HD3 . . 5.430 4.241 3.674 4.386 . 0 0 "[ . 1 . 2]" 1 815 1 25 LEU MD2 1 32 PRO HG2 . . 4.970 4.386 4.176 5.141 0.171 18 0 "[ . 1 . 2]" 1 816 1 25 LEU MD2 1 32 PRO HG3 . . 4.970 3.833 3.762 4.072 . 0 0 "[ . 1 . 2]" 1 817 1 25 LEU HG 1 32 PRO HA . . 5.120 4.039 1.887 4.507 . 0 0 "[ . 1 . 2]" 1 818 1 25 LEU HG 1 32 PRO QB . . 5.340 3.459 1.918 3.987 . 0 0 "[ . 1 . 2]" 1 819 1 26 HIS H 1 26 HIS HB2 . . 3.740 2.082 2.070 2.090 . 0 0 "[ . 1 . 2]" 1 820 1 26 HIS H 1 26 HIS QB . . 2.970 2.063 2.050 2.071 . 0 0 "[ . 1 . 2]" 1 821 1 26 HIS H 1 26 HIS HB3 . . 3.740 3.350 3.287 3.376 . 0 0 "[ . 1 . 2]" 1 822 1 26 HIS H 1 26 HIS HD2 . . 4.810 4.838 4.822 4.867 0.057 3 0 "[ . 1 . 2]" 1 823 1 26 HIS H 1 27 ALA H . . 4.610 4.519 4.427 4.575 . 0 0 "[ . 1 . 2]" 1 824 1 26 HIS H 1 27 ALA MB . . 5.500 5.599 5.557 5.630 0.130 13 0 "[ . 1 . 2]" 1 825 1 26 HIS H 1 31 GLU H . . 4.020 3.507 3.303 3.630 . 0 0 "[ . 1 . 2]" 1 826 1 26 HIS H 1 31 GLU HA . . 5.450 5.156 5.026 5.242 . 0 0 "[ . 1 . 2]" 1 827 1 26 HIS H 1 32 PRO HA . . 3.820 2.641 2.517 2.730 . 0 0 "[ . 1 . 2]" 1 828 1 26 HIS H 1 32 PRO QB . . 4.320 4.297 4.146 4.346 0.026 20 0 "[ . 1 . 2]" 1 829 1 26 HIS H 1 32 PRO QD . . 4.980 4.653 4.490 4.729 . 0 0 "[ . 1 . 2]" 1 830 1 26 HIS H 1 33 VAL H . . 4.590 4.137 3.956 4.510 . 0 0 "[ . 1 . 2]" 1 831 1 26 HIS HA 1 26 HIS HD2 . . 4.540 2.433 2.376 2.468 . 0 0 "[ . 1 . 2]" 1 832 1 26 HIS HA 1 27 ALA H . . 2.630 2.147 2.139 2.169 . 0 0 "[ . 1 . 2]" 1 833 1 26 HIS HA 1 27 ALA HA . . 4.500 4.382 4.371 4.405 . 0 0 "[ . 1 . 2]" 1 834 1 26 HIS HA 1 27 ALA MB . . 4.500 3.928 3.900 3.984 . 0 0 "[ . 1 . 2]" 1 835 1 26 HIS HA 1 29 ARG H . . 4.620 4.074 3.923 4.221 . 0 0 "[ . 1 . 2]" 1 836 1 26 HIS HA 1 29 ARG HB2 . . 5.030 4.787 4.664 4.900 . 0 0 "[ . 1 . 2]" 1 837 1 26 HIS HA 1 29 ARG HB3 . . 5.500 5.539 5.514 5.551 0.051 5 0 "[ . 1 . 2]" 1 838 1 26 HIS HA 1 31 GLU H . . 4.800 4.759 4.689 4.796 . 0 0 "[ . 1 . 2]" 1 839 1 26 HIS HA 1 44 VAL HA . . 5.500 5.104 4.710 5.515 0.015 20 0 "[ . 1 . 2]" 1 840 1 26 HIS QB 1 26 HIS HD2 . . 3.490 3.119 3.103 3.151 . 0 0 "[ . 1 . 2]" 1 841 1 26 HIS QB 1 27 ALA H . . 3.800 3.478 3.326 3.655 . 0 0 "[ . 1 . 2]" 1 842 1 26 HIS QB 1 29 ARG H . . 3.910 2.717 2.582 2.847 . 0 0 "[ . 1 . 2]" 1 843 1 26 HIS QB 1 29 ARG HB2 . . 5.240 3.109 2.931 3.232 . 0 0 "[ . 1 . 2]" 1 844 1 26 HIS QB 1 29 ARG HB3 . . 4.070 3.131 3.050 3.174 . 0 0 "[ . 1 . 2]" 1 845 1 26 HIS QB 1 31 GLU H . . 3.210 1.938 1.901 1.961 . 0 0 "[ . 1 . 2]" 1 846 1 26 HIS QB 1 31 GLU QB . . 4.020 3.161 3.015 3.235 . 0 0 "[ . 1 . 2]" 1 847 1 26 HIS QB 1 32 PRO HA . . 4.870 3.858 3.779 3.987 . 0 0 "[ . 1 . 2]" 1 848 1 26 HIS HB2 1 27 ALA H . . 4.670 4.497 4.416 4.583 . 0 0 "[ . 1 . 2]" 1 849 1 26 HIS HB2 1 29 ARG HB3 . . 4.730 4.070 3.973 4.107 . 0 0 "[ . 1 . 2]" 1 850 1 26 HIS HB2 1 31 GLU H . . 3.810 1.998 1.944 2.026 . 0 0 "[ . 1 . 2]" 1 851 1 26 HIS HB3 1 27 ALA H . . 4.670 3.621 3.440 3.840 . 0 0 "[ . 1 . 2]" 1 852 1 26 HIS HB3 1 29 ARG HB3 . . 4.730 3.255 3.156 3.303 . 0 0 "[ . 1 . 2]" 1 853 1 26 HIS HB3 1 31 GLU H . . 3.810 2.620 2.556 2.732 . 0 0 "[ . 1 . 2]" 1 854 1 26 HIS HD2 1 27 ALA H . . 4.710 2.933 2.795 3.096 . 0 0 "[ . 1 . 2]" 1 855 1 26 HIS HD2 1 27 ALA HA . . 5.500 5.541 5.526 5.572 0.072 8 0 "[ . 1 . 2]" 1 856 1 26 HIS HD2 1 29 ARG H . . 4.970 3.042 2.942 3.188 . 0 0 "[ . 1 . 2]" 1 857 1 26 HIS HD2 1 31 GLU H . . 5.500 5.555 5.511 5.610 0.110 20 0 "[ . 1 . 2]" 1 858 1 26 HIS HE1 1 29 ARG QD . . 4.860 4.798 4.026 4.864 0.004 7 0 "[ . 1 . 2]" 1 859 1 26 HIS HE1 1 29 ARG QG . . 4.440 4.421 4.306 4.447 0.007 6 0 "[ . 1 . 2]" 1 860 1 27 ALA H 1 27 ALA MB . . 2.700 2.236 2.144 2.259 . 0 0 "[ . 1 . 2]" 1 861 1 27 ALA H 1 29 ARG H . . 4.090 3.545 3.426 3.750 . 0 0 "[ . 1 . 2]" 1 862 1 27 ALA H 1 29 ARG HB2 . . 5.500 5.146 5.032 5.393 . 0 0 "[ . 1 . 2]" 1 863 1 27 ALA HA 1 29 ARG H . . 5.420 4.599 4.354 4.927 . 0 0 "[ . 1 . 2]" 1 864 1 27 ALA MB 1 44 VAL HA . . 5.460 5.473 5.421 5.498 0.038 8 0 "[ . 1 . 2]" 1 865 1 29 ARG H 1 29 ARG HB2 . . 3.710 2.306 2.194 2.406 . 0 0 "[ . 1 . 2]" 1 866 1 29 ARG H 1 29 ARG HB3 . . 3.690 3.419 3.369 3.493 . 0 0 "[ . 1 . 2]" 1 867 1 29 ARG H 1 29 ARG HD2 . . 5.500 5.441 5.171 5.502 0.002 6 0 "[ . 1 . 2]" 1 868 1 29 ARG H 1 29 ARG QD . . 4.840 4.658 4.593 4.716 . 0 0 "[ . 1 . 2]" 1 869 1 29 ARG H 1 29 ARG HD3 . . 5.500 5.070 4.991 5.386 . 0 0 "[ . 1 . 2]" 1 870 1 29 ARG H 1 29 ARG QG . . 3.510 3.535 3.441 3.570 0.060 20 0 "[ . 1 . 2]" 1 871 1 29 ARG H 1 30 ASP H . . 4.650 4.441 4.410 4.471 . 0 0 "[ . 1 . 2]" 1 872 1 29 ARG H 1 31 GLU H . . 5.370 5.081 4.999 5.197 . 0 0 "[ . 1 . 2]" 1 873 1 29 ARG H 1 43 ARG QD . . 5.340 5.335 5.233 5.371 0.031 8 0 "[ . 1 . 2]" 1 874 1 29 ARG HA 1 29 ARG HD2 . . 4.630 3.826 3.633 3.945 . 0 0 "[ . 1 . 2]" 1 875 1 29 ARG HA 1 29 ARG QD . . 3.990 2.609 2.477 3.098 . 0 0 "[ . 1 . 2]" 1 876 1 29 ARG HA 1 29 ARG HD3 . . 4.630 2.658 2.517 3.239 . 0 0 "[ . 1 . 2]" 1 877 1 29 ARG HA 1 29 ARG QG . . 3.030 2.219 2.061 2.255 . 0 0 "[ . 1 . 2]" 1 878 1 29 ARG HA 1 30 ASP H . . 2.880 2.625 2.615 2.643 . 0 0 "[ . 1 . 2]" 1 879 1 29 ARG HB2 1 29 ARG HD2 . . 4.170 3.491 3.189 3.551 . 0 0 "[ . 1 . 2]" 1 880 1 29 ARG HB2 1 29 ARG QD . . 3.500 3.205 3.049 3.239 . 0 0 "[ . 1 . 2]" 1 881 1 29 ARG HB2 1 29 ARG HD3 . . 4.170 3.740 3.697 3.875 . 0 0 "[ . 1 . 2]" 1 882 1 29 ARG HB2 1 30 ASP H . . 3.660 3.623 3.572 3.650 . 0 0 "[ . 1 . 2]" 1 883 1 29 ARG HB2 1 30 ASP HA . . 5.390 5.258 5.206 5.293 . 0 0 "[ . 1 . 2]" 1 884 1 29 ARG HB2 1 31 GLU H . . 4.790 4.808 4.755 4.842 0.052 10 0 "[ . 1 . 2]" 1 885 1 29 ARG HB3 1 29 ARG HD2 . . 3.710 2.361 2.092 2.441 . 0 0 "[ . 1 . 2]" 1 886 1 29 ARG HB3 1 29 ARG HD3 . . 3.710 2.663 2.592 2.907 . 0 0 "[ . 1 . 2]" 1 887 1 29 ARG HB3 1 30 ASP H . . 3.860 2.108 2.042 2.149 . 0 0 "[ . 1 . 2]" 1 888 1 29 ARG HB3 1 30 ASP HA . . 4.810 4.169 4.159 4.181 . 0 0 "[ . 1 . 2]" 1 889 1 29 ARG HB3 1 30 ASP HB2 . . 5.500 4.749 4.478 5.508 0.008 5 0 "[ . 1 . 2]" 1 890 1 29 ARG HB3 1 30 ASP HB3 . . 5.500 5.126 4.551 5.494 . 0 0 "[ . 1 . 2]" 1 891 1 29 ARG HB3 1 31 GLU H . . 4.110 3.834 3.778 3.909 . 0 0 "[ . 1 . 2]" 1 892 1 29 ARG HB3 1 31 GLU HB2 . . 4.930 3.359 3.323 3.394 . 0 0 "[ . 1 . 2]" 1 893 1 29 ARG HB3 1 31 GLU QB . . 4.180 3.288 3.259 3.315 . 0 0 "[ . 1 . 2]" 1 894 1 29 ARG HB3 1 31 GLU HB3 . . 4.930 4.681 4.582 4.820 . 0 0 "[ . 1 . 2]" 1 895 1 29 ARG QG 1 30 ASP H . . 3.830 3.529 3.356 3.588 . 0 0 "[ . 1 . 2]" 1 896 1 30 ASP H 1 30 ASP HB2 . . 3.670 2.703 2.408 3.622 . 0 0 "[ . 1 . 2]" 1 897 1 30 ASP H 1 30 ASP QB . . 3.170 2.457 2.368 3.093 . 0 0 "[ . 1 . 2]" 1 898 1 30 ASP H 1 30 ASP HB3 . . 3.670 3.193 2.531 3.625 . 0 0 "[ . 1 . 2]" 1 899 1 30 ASP H 1 31 GLU H . . 4.090 3.686 3.670 3.700 . 0 0 "[ . 1 . 2]" 1 900 1 30 ASP HA 1 31 GLU H . . 2.760 2.333 2.326 2.339 . 0 0 "[ . 1 . 2]" 1 901 1 30 ASP HA 1 31 GLU QB . . 4.630 4.344 4.331 4.359 . 0 0 "[ . 1 . 2]" 1 902 1 30 ASP QB 1 31 GLU H . . 4.130 3.937 3.837 4.055 . 0 0 "[ . 1 . 2]" 1 903 1 30 ASP HB2 1 31 GLU H . . 4.820 4.590 4.156 4.657 . 0 0 "[ . 1 . 2]" 1 904 1 30 ASP HB3 1 31 GLU H . . 4.820 4.299 4.154 4.526 . 0 0 "[ . 1 . 2]" 1 905 1 31 GLU H 1 31 GLU HB2 . . 3.600 2.999 2.971 3.022 . 0 0 "[ . 1 . 2]" 1 906 1 31 GLU H 1 31 GLU QB . . 3.090 2.846 2.835 2.853 . 0 0 "[ . 1 . 2]" 1 907 1 31 GLU H 1 31 GLU HB3 . . 3.600 3.544 3.488 3.587 . 0 0 "[ . 1 . 2]" 1 908 1 31 GLU H 1 31 GLU QG . . 4.890 4.145 4.081 4.335 . 0 0 "[ . 1 . 2]" 1 909 1 31 GLU H 1 32 PRO HA . . 4.630 4.402 4.386 4.412 . 0 0 "[ . 1 . 2]" 1 910 1 31 GLU H 1 32 PRO QD . . 4.110 3.464 3.425 3.486 . 0 0 "[ . 1 . 2]" 1 911 1 31 GLU HA 1 31 GLU HG2 . . 3.770 2.533 2.018 3.495 . 0 0 "[ . 1 . 2]" 1 912 1 31 GLU HA 1 31 GLU QG . . 3.280 2.112 1.998 2.226 . 0 0 "[ . 1 . 2]" 1 913 1 31 GLU HA 1 31 GLU HG3 . . 3.770 2.668 2.018 3.509 . 0 0 "[ . 1 . 2]" 1 914 1 31 GLU HA 1 32 PRO HA . . 4.630 4.516 4.512 4.520 . 0 0 "[ . 1 . 2]" 1 915 1 31 GLU HA 1 32 PRO HD2 . . 3.240 1.913 1.912 1.914 . 0 0 "[ . 1 . 2]" 1 916 1 31 GLU HA 1 32 PRO HD3 . . 3.240 2.471 2.463 2.488 . 0 0 "[ . 1 . 2]" 1 917 1 31 GLU QB 1 31 GLU QG . . 2.320 2.050 2.016 2.086 . 0 0 "[ . 1 . 2]" 1 918 1 31 GLU QB 1 32 PRO QD . . 4.840 3.641 3.618 3.664 . 0 0 "[ . 1 . 2]" 1 919 1 31 GLU QG 1 32 PRO QD . . 4.200 2.943 2.777 3.253 . 0 0 "[ . 1 . 2]" 1 920 1 32 PRO HA 1 33 VAL H . . 2.720 2.307 2.271 2.447 . 0 0 "[ . 1 . 2]" 1 921 1 32 PRO HA 1 33 VAL HA . . 4.660 4.443 4.416 4.511 . 0 0 "[ . 1 . 2]" 1 922 1 32 PRO QB 1 33 VAL H . . 3.130 2.765 2.439 2.850 . 0 0 "[ . 1 . 2]" 1 923 1 32 PRO QB 1 33 VAL HB . . 5.340 5.231 5.038 5.305 . 0 0 "[ . 1 . 2]" 1 924 1 32 PRO HB2 1 33 VAL H . . 3.630 2.876 2.500 2.974 . 0 0 "[ . 1 . 2]" 1 925 1 32 PRO HB3 1 33 VAL H . . 3.630 3.597 3.397 3.650 0.020 1 0 "[ . 1 . 2]" 1 926 1 32 PRO QD 1 33 VAL H . . 4.960 4.988 4.926 5.001 0.041 2 0 "[ . 1 . 2]" 1 927 1 32 PRO QG 1 33 VAL H . . 4.410 4.331 4.087 4.393 . 0 0 "[ . 1 . 2]" 1 928 1 33 VAL H 1 33 VAL HB . . 3.360 2.815 2.715 2.957 . 0 0 "[ . 1 . 2]" 1 929 1 33 VAL H 1 33 VAL QG . . 3.370 2.595 2.506 2.853 . 0 0 "[ . 1 . 2]" 1 930 1 33 VAL H 1 34 ALA H . . 4.440 4.230 4.132 4.325 . 0 0 "[ . 1 . 2]" 1 931 1 33 VAL H 1 34 ALA MB . . 5.230 4.739 4.613 4.863 . 0 0 "[ . 1 . 2]" 1 932 1 33 VAL HA 1 33 VAL MG1 . . 3.690 2.267 2.178 2.370 . 0 0 "[ . 1 . 2]" 1 933 1 33 VAL HA 1 33 VAL QG . . 2.890 2.093 2.048 2.152 . 0 0 "[ . 1 . 2]" 1 934 1 33 VAL HA 1 33 VAL MG2 . . 3.690 2.468 2.284 2.500 . 0 0 "[ . 1 . 2]" 1 935 1 33 VAL HA 1 34 ALA H . . 2.740 2.145 2.139 2.165 . 0 0 "[ . 1 . 2]" 1 936 1 33 VAL HA 1 34 ALA HA . . 5.050 4.396 4.393 4.401 . 0 0 "[ . 1 . 2]" 1 937 1 33 VAL HA 1 34 ALA MB . . 4.190 3.946 3.899 4.017 . 0 0 "[ . 1 . 2]" 1 938 1 33 VAL HA 1 35 PHE H . . 3.770 3.567 3.465 3.803 0.033 20 0 "[ . 1 . 2]" 1 939 1 33 VAL HA 1 36 VAL QG . . 5.440 4.509 4.398 4.658 . 0 0 "[ . 1 . 2]" 1 940 1 33 VAL HB 1 34 ALA H . . 4.350 4.166 4.035 4.244 . 0 0 "[ . 1 . 2]" 1 941 1 33 VAL HB 1 34 ALA HA . . 5.500 4.684 4.621 4.798 . 0 0 "[ . 1 . 2]" 1 942 1 33 VAL HB 1 36 VAL QG . . 5.440 4.212 4.175 4.287 . 0 0 "[ . 1 . 2]" 1 943 1 33 VAL HB 1 42 PHE HB3 . . 5.500 5.542 5.517 5.561 0.061 3 0 "[ . 1 . 2]" 1 944 1 33 VAL QG 1 34 ALA H . . 3.580 2.646 2.233 2.923 . 0 0 "[ . 1 . 2]" 1 945 1 33 VAL QG 1 34 ALA HA . . 4.460 3.820 3.623 3.967 . 0 0 "[ . 1 . 2]" 1 946 1 33 VAL QG 1 35 PHE H . . 3.390 2.698 2.473 2.867 . 0 0 "[ . 1 . 2]" 1 947 1 33 VAL QG 1 35 PHE HA . . 5.260 3.959 3.851 4.035 . 0 0 "[ . 1 . 2]" 1 948 1 33 VAL QG 1 36 VAL H . . 5.370 4.092 3.985 4.179 . 0 0 "[ . 1 . 2]" 1 949 1 33 VAL QG 1 36 VAL HA . . 4.370 3.842 3.804 3.888 . 0 0 "[ . 1 . 2]" 1 950 1 33 VAL QG 1 36 VAL HB . . 4.760 4.466 4.424 4.561 . 0 0 "[ . 1 . 2]" 1 951 1 33 VAL QG 1 36 VAL QG . . 3.100 2.090 2.061 2.163 . 0 0 "[ . 1 . 2]" 1 952 1 33 VAL QG 1 42 PHE HB3 . . 3.760 2.996 2.912 3.109 . 0 0 "[ . 1 . 2]" 1 953 1 33 VAL QG 1 42 PHE QD . . 4.100 3.083 2.941 3.287 . 0 0 "[ . 1 . 2]" 1 954 1 33 VAL MG1 1 34 ALA HA . . 5.470 3.894 3.673 4.061 . 0 0 "[ . 1 . 2]" 1 955 1 33 VAL MG1 1 42 PHE HA . . 5.500 4.896 4.716 5.131 . 0 0 "[ . 1 . 2]" 1 956 1 33 VAL MG1 1 42 PHE HB2 . . 4.110 3.018 2.730 3.292 . 0 0 "[ . 1 . 2]" 1 957 1 33 VAL MG1 1 42 PHE QD . . 5.030 3.406 3.220 3.675 . 0 0 "[ . 1 . 2]" 1 958 1 33 VAL MG2 1 34 ALA HA . . 5.470 5.544 5.521 5.562 0.092 14 0 "[ . 1 . 2]" 1 959 1 33 VAL MG2 1 42 PHE HA . . 5.500 4.211 4.077 4.291 . 0 0 "[ . 1 . 2]" 1 960 1 33 VAL MG2 1 42 PHE HB2 . . 4.110 2.580 2.453 2.687 . 0 0 "[ . 1 . 2]" 1 961 1 33 VAL MG2 1 42 PHE QD . . 5.030 3.525 3.320 3.705 . 0 0 "[ . 1 . 2]" 1 962 1 34 ALA H 1 34 ALA MB . . 3.100 2.375 2.310 2.478 . 0 0 "[ . 1 . 2]" 1 963 1 34 ALA H 1 35 PHE H . . 2.750 1.899 1.852 1.967 . 0 0 "[ . 1 . 2]" 1 964 1 34 ALA H 1 35 PHE HB3 . . 5.100 4.884 4.834 5.062 . 0 0 "[ . 1 . 2]" 1 965 1 34 ALA MB 1 35 PHE H . . 3.220 2.965 2.785 3.034 . 0 0 "[ . 1 . 2]" 1 966 1 34 ALA MB 1 35 PHE HA . . 4.710 4.323 4.251 4.365 . 0 0 "[ . 1 . 2]" 1 967 1 34 ALA MB 1 35 PHE HB2 . . 4.910 4.851 4.811 4.903 . 0 0 "[ . 1 . 2]" 1 968 1 34 ALA MB 1 35 PHE HB3 . . 4.440 3.441 3.363 3.552 . 0 0 "[ . 1 . 2]" 1 969 1 34 ALA MB 1 35 PHE QD . . 4.220 2.318 2.128 2.476 . 0 0 "[ . 1 . 2]" 1 970 1 35 PHE H 1 35 PHE HB2 . . 4.090 3.987 3.932 3.999 . 0 0 "[ . 1 . 2]" 1 971 1 35 PHE H 1 35 PHE HB3 . . 3.550 3.370 3.332 3.404 . 0 0 "[ . 1 . 2]" 1 972 1 35 PHE H 1 35 PHE QD . . 4.260 2.813 2.691 2.961 . 0 0 "[ . 1 . 2]" 1 973 1 35 PHE H 1 36 VAL H . . 4.340 4.129 4.114 4.200 . 0 0 "[ . 1 . 2]" 1 974 1 35 PHE H 1 36 VAL HA . . 5.190 4.582 4.575 4.634 . 0 0 "[ . 1 . 2]" 1 975 1 35 PHE H 1 36 VAL MG1 . . 5.280 4.021 3.984 4.128 . 0 0 "[ . 1 . 2]" 1 976 1 35 PHE H 1 36 VAL QG . . 4.650 3.798 3.762 3.905 . 0 0 "[ . 1 . 2]" 1 977 1 35 PHE H 1 36 VAL MG2 . . 5.280 4.669 4.616 4.905 . 0 0 "[ . 1 . 2]" 1 978 1 35 PHE H 1 37 LEU QD . . 5.440 5.466 5.393 5.615 0.175 20 0 "[ . 1 . 2]" 1 979 1 35 PHE HA 1 35 PHE QD . . 3.850 3.723 3.711 3.727 . 0 0 "[ . 1 . 2]" 1 980 1 35 PHE HA 1 36 VAL H . . 2.730 2.156 2.149 2.163 . 0 0 "[ . 1 . 2]" 1 981 1 35 PHE HA 1 36 VAL MG1 . . 5.500 4.231 4.143 4.254 . 0 0 "[ . 1 . 2]" 1 982 1 35 PHE HA 1 36 VAL QG . . 4.500 3.205 3.195 3.245 . 0 0 "[ . 1 . 2]" 1 983 1 35 PHE HA 1 36 VAL MG2 . . 5.500 3.319 3.305 3.390 . 0 0 "[ . 1 . 2]" 1 984 1 35 PHE HB2 1 36 VAL H . . 3.930 3.262 3.215 3.323 . 0 0 "[ . 1 . 2]" 1 985 1 35 PHE HB2 1 36 VAL QG . . 5.440 4.424 4.391 4.436 . 0 0 "[ . 1 . 2]" 1 986 1 35 PHE HB2 1 37 LEU QD . . 5.440 3.774 3.690 4.016 . 0 0 "[ . 1 . 2]" 1 987 1 35 PHE HB3 1 36 VAL H . . 4.530 4.245 4.204 4.256 . 0 0 "[ . 1 . 2]" 1 988 1 35 PHE QD 1 36 VAL H . . 4.790 4.156 4.044 4.348 . 0 0 "[ . 1 . 2]" 1 989 1 35 PHE QD 1 37 LEU MD1 . . 5.180 4.167 2.405 4.399 . 0 0 "[ . 1 . 2]" 1 990 1 35 PHE QD 1 37 LEU QD . . 4.420 2.352 2.300 2.433 . 0 0 "[ . 1 . 2]" 1 991 1 35 PHE QD 1 37 LEU MD2 . . 5.180 2.607 2.309 4.876 . 0 0 "[ . 1 . 2]" 1 992 1 36 VAL H 1 36 VAL HB . . 3.690 3.627 3.624 3.633 . 0 0 "[ . 1 . 2]" 1 993 1 36 VAL H 1 36 VAL MG1 . . 4.450 3.232 3.074 3.261 . 0 0 "[ . 1 . 2]" 1 994 1 36 VAL H 1 36 VAL QG . . 3.160 1.920 1.853 1.936 . 0 0 "[ . 1 . 2]" 1 995 1 36 VAL H 1 36 VAL MG2 . . 4.450 1.935 1.869 1.950 . 0 0 "[ . 1 . 2]" 1 996 1 36 VAL H 1 37 LEU H . . 4.570 4.513 4.508 4.536 . 0 0 "[ . 1 . 2]" 1 997 1 36 VAL HA 1 36 VAL MG1 . . 3.590 2.150 2.124 2.215 . 0 0 "[ . 1 . 2]" 1 998 1 36 VAL HA 1 36 VAL QG . . 2.930 2.116 2.093 2.175 . 0 0 "[ . 1 . 2]" 1 999 1 36 VAL HA 1 36 VAL MG2 . . 3.590 3.160 3.156 3.173 . 0 0 "[ . 1 . 2]" 1 1000 1 36 VAL HA 1 37 LEU H . . 2.680 2.344 2.285 2.356 . 0 0 "[ . 1 . 2]" 1 1001 1 36 VAL HA 1 37 LEU QD . . 4.380 2.981 2.885 3.584 . 0 0 "[ . 1 . 2]" 1 1002 1 36 VAL HA 1 37 LEU HG . . 5.300 5.412 5.293 5.438 0.138 12 0 "[ . 1 . 2]" 1 1003 1 36 VAL HA 1 40 THR MG . . 4.030 4.066 4.033 4.083 0.053 15 0 "[ . 1 . 2]" 1 1004 1 36 VAL HB 1 40 THR HB . . 3.410 3.416 3.388 3.431 0.021 16 0 "[ . 1 . 2]" 1 1005 1 36 VAL HB 1 42 PHE QD . . 4.700 3.405 3.332 3.470 . 0 0 "[ . 1 . 2]" 1 1006 1 36 VAL HB 1 42 PHE QE . . 4.710 3.370 3.319 3.471 . 0 0 "[ . 1 . 2]" 1 1007 1 36 VAL QG 1 37 LEU H . . 3.630 3.148 3.126 3.243 . 0 0 "[ . 1 . 2]" 1 1008 1 36 VAL QG 1 37 LEU QD . . 4.860 3.793 3.735 4.295 . 0 0 "[ . 1 . 2]" 1 1009 1 36 VAL QG 1 38 PRO HA . . 5.440 5.402 5.379 5.467 0.027 11 0 "[ . 1 . 2]" 1 1010 1 36 VAL QG 1 40 THR H . . 5.440 4.750 4.732 4.830 . 0 0 "[ . 1 . 2]" 1 1011 1 36 VAL QG 1 40 THR HB . . 3.210 3.221 3.212 3.263 0.053 11 0 "[ . 1 . 2]" 1 1012 1 36 VAL QG 1 40 THR MG . . 2.930 2.883 2.776 2.948 0.018 5 0 "[ . 1 . 2]" 1 1013 1 36 VAL QG 1 41 ALA H . . 5.240 5.380 5.360 5.405 0.165 11 0 "[ . 1 . 2]" 1 1014 1 36 VAL QG 1 42 PHE H . . 4.930 3.978 3.912 4.006 . 0 0 "[ . 1 . 2]" 1 1015 1 36 VAL QG 1 42 PHE HA . . 4.830 4.388 4.291 4.449 . 0 0 "[ . 1 . 2]" 1 1016 1 36 VAL QG 1 42 PHE HB2 . . 4.080 3.262 3.156 3.298 . 0 0 "[ . 1 . 2]" 1 1017 1 36 VAL QG 1 42 PHE HB3 . . 3.880 2.423 2.310 2.473 . 0 0 "[ . 1 . 2]" 1 1018 1 36 VAL QG 1 42 PHE QD . . 3.140 2.295 2.260 2.361 . 0 0 "[ . 1 . 2]" 1 1019 1 36 VAL QG 1 42 PHE QE . . 3.370 2.590 2.559 2.629 . 0 0 "[ . 1 . 2]" 1 1020 1 36 VAL QG 1 52 MET ME . . 4.670 3.007 2.892 3.113 . 0 0 "[ . 1 . 2]" 1 1021 1 36 VAL MG1 1 37 LEU H . . 4.420 3.332 3.300 3.459 . 0 0 "[ . 1 . 2]" 1 1022 1 36 VAL MG1 1 42 PHE HB2 . . 5.500 3.298 3.188 3.334 . 0 0 "[ . 1 . 2]" 1 1023 1 36 VAL MG1 1 42 PHE HB3 . . 4.910 2.431 2.316 2.481 . 0 0 "[ . 1 . 2]" 1 1024 1 36 VAL MG1 1 42 PHE QD . . 3.670 2.322 2.284 2.389 . 0 0 "[ . 1 . 2]" 1 1025 1 36 VAL MG1 1 42 PHE QE . . 3.900 3.150 3.076 3.218 . 0 0 "[ . 1 . 2]" 1 1026 1 36 VAL MG2 1 37 LEU H . . 4.420 3.874 3.855 3.919 . 0 0 "[ . 1 . 2]" 1 1027 1 36 VAL MG2 1 42 PHE HB2 . . 5.500 5.174 5.062 5.273 . 0 0 "[ . 1 . 2]" 1 1028 1 36 VAL MG2 1 42 PHE HB3 . . 4.910 4.686 4.568 4.787 . 0 0 "[ . 1 . 2]" 1 1029 1 36 VAL MG2 1 42 PHE QD . . 3.670 3.608 3.524 3.680 0.010 20 0 "[ . 1 . 2]" 1 1030 1 36 VAL MG2 1 42 PHE QE . . 3.900 2.755 2.697 2.817 . 0 0 "[ . 1 . 2]" 1 1031 1 37 LEU H 1 37 LEU QB . . 3.100 2.351 2.312 2.357 . 0 0 "[ . 1 . 2]" 1 1032 1 37 LEU H 1 37 LEU QD . . 3.620 2.668 2.577 3.123 . 0 0 "[ . 1 . 2]" 1 1033 1 37 LEU H 1 38 PRO HD2 . . 4.800 4.754 4.731 4.758 . 0 0 "[ . 1 . 2]" 1 1034 1 37 LEU H 1 38 PRO HD3 . . 5.140 5.077 5.074 5.091 . 0 0 "[ . 1 . 2]" 1 1035 1 37 LEU H 1 40 THR H . . 4.390 3.872 3.820 4.048 . 0 0 "[ . 1 . 2]" 1 1036 1 37 LEU HA 1 37 LEU MD1 . . 3.180 2.323 2.190 3.143 . 0 0 "[ . 1 . 2]" 1 1037 1 37 LEU HA 1 37 LEU MD2 . . 3.180 2.348 2.181 3.468 0.288 20 0 "[ . 1 . 2]" 1 1038 1 37 LEU HA 1 37 LEU HG . . 4.220 3.567 2.193 3.721 . 0 0 "[ . 1 . 2]" 1 1039 1 37 LEU HA 1 38 PRO HB3 . . 5.500 4.880 4.878 4.894 . 0 0 "[ . 1 . 2]" 1 1040 1 37 LEU HA 1 38 PRO HD2 . . 3.580 2.547 2.540 2.593 . 0 0 "[ . 1 . 2]" 1 1041 1 37 LEU HA 1 38 PRO HD3 . . 3.450 2.369 2.364 2.395 . 0 0 "[ . 1 . 2]" 1 1042 1 37 LEU HA 1 38 PRO HG2 . . 5.140 4.634 4.628 4.672 . 0 0 "[ . 1 . 2]" 1 1043 1 37 LEU HA 1 38 PRO HG3 . . 4.920 4.568 4.563 4.601 . 0 0 "[ . 1 . 2]" 1 1044 1 37 LEU QB 1 37 LEU MD1 . . 2.940 2.187 2.046 2.233 . 0 0 "[ . 1 . 2]" 1 1045 1 37 LEU QB 1 37 LEU MD2 . . 2.940 2.372 2.074 2.427 . 0 0 "[ . 1 . 2]" 1 1046 1 37 LEU QB 1 38 PRO HD2 . . 3.450 1.857 1.847 1.897 . 0 0 "[ . 1 . 2]" 1 1047 1 37 LEU QB 1 38 PRO HD3 . . 3.700 3.252 3.245 3.277 . 0 0 "[ . 1 . 2]" 1 1048 1 37 LEU QB 1 38 PRO HG3 . . 5.200 4.375 4.368 4.391 . 0 0 "[ . 1 . 2]" 1 1049 1 37 LEU QB 1 39 GLY H . . 4.660 4.343 4.293 4.499 . 0 0 "[ . 1 . 2]" 1 1050 1 37 LEU QD 1 38 PRO HD2 . . 3.560 1.947 1.887 2.116 . 0 0 "[ . 1 . 2]" 1 1051 1 37 LEU QD 1 38 PRO HD3 . . 3.590 2.573 2.415 3.419 . 0 0 "[ . 1 . 2]" 1 1052 1 37 LEU QD 1 38 PRO HG3 . . 5.440 3.705 3.644 4.014 . 0 0 "[ . 1 . 2]" 1 1053 1 37 LEU MD1 1 38 PRO HD2 . . 4.380 2.141 1.893 3.983 . 0 0 "[ . 1 . 2]" 1 1054 1 37 LEU MD1 1 38 PRO HD3 . . 5.130 2.725 2.435 4.688 . 0 0 "[ . 1 . 2]" 1 1055 1 37 LEU MD2 1 38 PRO HD2 . . 4.380 3.569 2.068 3.757 . 0 0 "[ . 1 . 2]" 1 1056 1 37 LEU MD2 1 38 PRO HD3 . . 5.130 3.929 3.454 4.015 . 0 0 "[ . 1 . 2]" 1 1057 1 37 LEU HG 1 38 PRO HD2 . . 4.700 3.659 2.691 3.795 . 0 0 "[ . 1 . 2]" 1 1058 1 38 PRO HA 1 39 GLY H . . 2.670 2.347 2.295 2.365 . 0 0 "[ . 1 . 2]" 1 1059 1 38 PRO HA 1 40 THR H . . 4.120 3.888 3.800 3.919 . 0 0 "[ . 1 . 2]" 1 1060 1 38 PRO HB2 1 39 GLY H . . 4.270 4.197 4.135 4.215 . 0 0 "[ . 1 . 2]" 1 1061 1 38 PRO HD3 1 39 GLY H . . 5.500 5.225 5.202 5.293 . 0 0 "[ . 1 . 2]" 1 1062 1 38 PRO HG2 1 39 GLY HA3 . . 5.500 4.955 4.949 4.972 . 0 0 "[ . 1 . 2]" 1 1063 1 39 GLY H 1 40 THR H . . 3.030 1.829 1.821 1.833 . 0 0 "[ . 1 . 2]" 1 1064 1 39 GLY H 1 40 THR HB . . 4.350 4.181 4.142 4.270 . 0 0 "[ . 1 . 2]" 1 1065 1 39 GLY HA2 1 40 THR HA . . 5.500 4.600 4.555 4.611 . 0 0 "[ . 1 . 2]" 1 1066 1 40 THR H 1 40 THR HB . . 2.760 2.536 2.499 2.606 . 0 0 "[ . 1 . 2]" 1 1067 1 40 THR H 1 40 THR MG . . 3.950 3.808 3.792 3.840 . 0 0 "[ . 1 . 2]" 1 1068 1 40 THR H 1 41 ALA H . . 4.430 4.504 4.473 4.511 0.081 5 0 "[ . 1 . 2]" 1 1069 1 40 THR H 1 42 PHE QD . . 5.260 5.098 5.054 5.130 . 0 0 "[ . 1 . 2]" 1 1070 1 40 THR H 1 42 PHE QE . . 5.500 5.559 5.543 5.595 0.095 12 0 "[ . 1 . 2]" 1 1071 1 40 THR HA 1 40 THR MG . . 2.830 2.345 2.276 2.422 . 0 0 "[ . 1 . 2]" 1 1072 1 40 THR HA 1 41 ALA H . . 2.420 2.176 2.171 2.181 . 0 0 "[ . 1 . 2]" 1 1073 1 40 THR HA 1 41 ALA HA . . 4.940 4.374 4.373 4.375 . 0 0 "[ . 1 . 2]" 1 1074 1 40 THR HA 1 41 ALA MB . . 4.310 3.892 3.871 3.964 . 0 0 "[ . 1 . 2]" 1 1075 1 40 THR HB 1 42 PHE H . . 5.330 5.345 5.279 5.367 0.037 5 0 "[ . 1 . 2]" 1 1076 1 40 THR HB 1 42 PHE HB3 . . 5.110 4.810 4.758 4.858 . 0 0 "[ . 1 . 2]" 1 1077 1 40 THR HB 1 42 PHE QD . . 5.210 3.899 3.872 3.923 . 0 0 "[ . 1 . 2]" 1 1078 1 40 THR HB 1 42 PHE QE . . 5.500 5.159 5.118 5.261 . 0 0 "[ . 1 . 2]" 1 1079 1 40 THR MG 1 41 ALA H . . 3.180 2.237 2.153 2.499 . 0 0 "[ . 1 . 2]" 1 1080 1 40 THR MG 1 41 ALA HA . . 4.220 3.885 3.769 3.962 . 0 0 "[ . 1 . 2]" 1 1081 1 40 THR MG 1 42 PHE H . . 4.210 4.126 3.893 4.232 0.022 20 0 "[ . 1 . 2]" 1 1082 1 40 THR MG 1 42 PHE HB3 . . 4.540 3.249 3.153 3.310 . 0 0 "[ . 1 . 2]" 1 1083 1 40 THR MG 1 42 PHE QD . . 3.870 3.485 3.316 3.571 . 0 0 "[ . 1 . 2]" 1 1084 1 40 THR MG 1 42 PHE QE . . 5.500 5.219 5.120 5.276 . 0 0 "[ . 1 . 2]" 1 1085 1 41 ALA H 1 41 ALA MB . . 2.830 2.218 2.165 2.340 . 0 0 "[ . 1 . 2]" 1 1086 1 41 ALA H 1 42 PHE H . . 4.520 4.355 4.326 4.367 . 0 0 "[ . 1 . 2]" 1 1087 1 41 ALA HA 1 42 PHE H . . 2.750 2.143 2.141 2.148 . 0 0 "[ . 1 . 2]" 1 1088 1 41 ALA HA 1 42 PHE HA . . 5.310 4.393 4.392 4.395 . 0 0 "[ . 1 . 2]" 1 1089 1 41 ALA HA 1 42 PHE QD . . 4.060 3.354 3.276 3.441 . 0 0 "[ . 1 . 2]" 1 1090 1 41 ALA HA 1 42 PHE QE . . 5.350 4.673 4.642 4.767 . 0 0 "[ . 1 . 2]" 1 1091 1 41 ALA HA 1 61 GLN HB2 . . 4.610 4.427 4.082 4.554 . 0 0 "[ . 1 . 2]" 1 1092 1 41 ALA HA 1 61 GLN QE . . 5.340 4.080 3.901 4.213 . 0 0 "[ . 1 . 2]" 1 1093 1 41 ALA MB 1 42 PHE H . . 3.530 3.324 3.291 3.368 . 0 0 "[ . 1 . 2]" 1 1094 1 41 ALA MB 1 42 PHE QD . . 4.930 4.646 4.593 4.716 . 0 0 "[ . 1 . 2]" 1 1095 1 41 ALA MB 1 61 GLN H . . 4.960 4.762 4.536 4.916 . 0 0 "[ . 1 . 2]" 1 1096 1 41 ALA MB 1 61 GLN HA . . 5.300 4.881 4.561 5.164 . 0 0 "[ . 1 . 2]" 1 1097 1 41 ALA MB 1 61 GLN HB3 . . 4.360 3.883 3.111 4.137 . 0 0 "[ . 1 . 2]" 1 1098 1 41 ALA MB 1 61 GLN HE21 . . 4.260 2.331 1.875 2.751 . 0 0 "[ . 1 . 2]" 1 1099 1 41 ALA MB 1 61 GLN QE . . 3.700 1.941 1.830 2.099 . 0 0 "[ . 1 . 2]" 1 1100 1 41 ALA MB 1 61 GLN HE22 . . 4.260 2.192 1.882 2.556 . 0 0 "[ . 1 . 2]" 1 1101 1 41 ALA MB 1 61 GLN HG2 . . 4.680 4.367 3.531 4.678 . 0 0 "[ . 1 . 2]" 1 1102 1 41 ALA MB 1 61 GLN QG . . 4.110 3.584 2.955 3.774 . 0 0 "[ . 1 . 2]" 1 1103 1 41 ALA MB 1 61 GLN HG3 . . 4.680 3.926 3.020 4.472 . 0 0 "[ . 1 . 2]" 1 1104 1 42 PHE H 1 42 PHE HB2 . . 4.180 3.757 3.745 3.774 . 0 0 "[ . 1 . 2]" 1 1105 1 42 PHE H 1 42 PHE HB3 . . 4.020 3.100 3.050 3.118 . 0 0 "[ . 1 . 2]" 1 1106 1 42 PHE H 1 42 PHE QD . . 3.220 2.237 2.174 2.269 . 0 0 "[ . 1 . 2]" 1 1107 1 42 PHE H 1 42 PHE QE . . 3.970 3.839 3.829 3.850 . 0 0 "[ . 1 . 2]" 1 1108 1 42 PHE H 1 43 ARG QG . . 5.340 5.007 4.961 5.044 . 0 0 "[ . 1 . 2]" 1 1109 1 42 PHE HA 1 42 PHE QD . . 3.800 3.706 3.701 3.714 . 0 0 "[ . 1 . 2]" 1 1110 1 42 PHE HA 1 43 ARG H . . 3.060 2.195 2.171 2.222 . 0 0 "[ . 1 . 2]" 1 1111 1 42 PHE HA 1 43 ARG QG . . 4.400 3.463 3.442 3.533 . 0 0 "[ . 1 . 2]" 1 1112 1 42 PHE HB2 1 43 ARG H . . 3.180 3.052 2.942 3.163 . 0 0 "[ . 1 . 2]" 1 1113 1 42 PHE HB2 1 43 ARG HA . . 5.290 4.852 4.797 4.907 . 0 0 "[ . 1 . 2]" 1 1114 1 42 PHE HB3 1 43 ARG H . . 4.300 4.076 4.015 4.144 . 0 0 "[ . 1 . 2]" 1 1115 1 42 PHE QD 1 43 ARG H . . 4.200 4.155 4.057 4.215 0.015 18 0 "[ . 1 . 2]" 1 1116 1 42 PHE QD 1 43 ARG HA . . 5.500 4.597 4.537 4.681 . 0 0 "[ . 1 . 2]" 1 1117 1 42 PHE QD 1 44 VAL HB . . 5.080 4.692 4.663 4.750 . 0 0 "[ . 1 . 2]" 1 1118 1 42 PHE QD 1 44 VAL MG1 . . 4.170 1.959 1.935 1.991 . 0 0 "[ . 1 . 2]" 1 1119 1 42 PHE QD 1 44 VAL QG . . 3.490 1.953 1.930 1.985 . 0 0 "[ . 1 . 2]" 1 1120 1 42 PHE QD 1 44 VAL MG2 . . 4.170 3.844 3.800 3.961 . 0 0 "[ . 1 . 2]" 1 1121 1 42 PHE QD 1 48 VAL QG . . 5.370 4.961 4.871 5.045 . 0 0 "[ . 1 . 2]" 1 1122 1 42 PHE QD 1 52 MET HG3 . . 5.500 5.308 5.146 5.504 0.004 9 0 "[ . 1 . 2]" 1 1123 1 42 PHE QD 1 58 ALA MB . . 5.500 4.825 4.774 4.861 . 0 0 "[ . 1 . 2]" 1 1124 1 42 PHE QE 1 44 VAL HA . . 5.500 5.516 5.496 5.544 0.044 3 0 "[ . 1 . 2]" 1 1125 1 42 PHE QE 1 44 VAL MG1 . . 4.010 2.075 2.039 2.129 . 0 0 "[ . 1 . 2]" 1 1126 1 42 PHE QE 1 44 VAL QG . . 3.310 2.050 2.017 2.105 . 0 0 "[ . 1 . 2]" 1 1127 1 42 PHE QE 1 44 VAL MG2 . . 4.010 3.212 3.111 3.452 . 0 0 "[ . 1 . 2]" 1 1128 1 42 PHE QE 1 48 VAL QG . . 5.440 3.934 3.839 4.017 . 0 0 "[ . 1 . 2]" 1 1129 1 42 PHE QE 1 52 MET ME . . 2.960 2.076 1.982 2.159 . 0 0 "[ . 1 . 2]" 1 1130 1 42 PHE QE 1 58 ALA HA . . 5.180 4.832 4.729 4.896 . 0 0 "[ . 1 . 2]" 1 1131 1 42 PHE QE 1 58 ALA MB . . 3.670 3.021 2.947 3.067 . 0 0 "[ . 1 . 2]" 1 1132 1 43 ARG H 1 43 ARG HB2 . . 3.430 2.727 2.681 2.765 . 0 0 "[ . 1 . 2]" 1 1133 1 43 ARG H 1 43 ARG HE . . 4.640 4.448 4.233 4.680 0.040 19 0 "[ . 1 . 2]" 1 1134 1 43 ARG H 1 43 ARG HG2 . . 3.710 2.773 2.518 3.000 . 0 0 "[ . 1 . 2]" 1 1135 1 43 ARG H 1 43 ARG QG . . 3.160 2.187 2.115 2.317 . 0 0 "[ . 1 . 2]" 1 1136 1 43 ARG H 1 43 ARG HG3 . . 3.710 2.308 2.184 2.613 . 0 0 "[ . 1 . 2]" 1 1137 1 43 ARG H 1 44 VAL H . . 4.720 4.541 4.527 4.554 . 0 0 "[ . 1 . 2]" 1 1138 1 43 ARG H 1 44 VAL QG . . 4.220 4.113 4.048 4.181 . 0 0 "[ . 1 . 2]" 1 1139 1 43 ARG HA 1 43 ARG HD2 . . 4.960 4.490 4.338 4.696 . 0 0 "[ . 1 . 2]" 1 1140 1 43 ARG HA 1 43 ARG QD . . 4.180 3.862 3.736 4.111 . 0 0 "[ . 1 . 2]" 1 1141 1 43 ARG HA 1 43 ARG HD3 . . 4.960 4.219 3.981 4.542 . 0 0 "[ . 1 . 2]" 1 1142 1 43 ARG HA 1 43 ARG HE . . 5.480 4.910 2.860 5.460 . 0 0 "[ . 1 . 2]" 1 1143 1 43 ARG HA 1 43 ARG QG . . 3.490 2.596 2.565 2.625 . 0 0 "[ . 1 . 2]" 1 1144 1 43 ARG HA 1 44 VAL H . . 2.690 2.178 2.167 2.187 . 0 0 "[ . 1 . 2]" 1 1145 1 43 ARG HA 1 44 VAL MG1 . . 5.500 3.814 3.737 3.878 . 0 0 "[ . 1 . 2]" 1 1146 1 43 ARG HA 1 44 VAL QG . . 4.050 3.301 3.258 3.320 . 0 0 "[ . 1 . 2]" 1 1147 1 43 ARG HA 1 44 VAL MG2 . . 5.500 3.617 3.501 3.691 . 0 0 "[ . 1 . 2]" 1 1148 1 43 ARG HB2 1 43 ARG QD . . 3.410 2.621 2.504 2.911 . 0 0 "[ . 1 . 2]" 1 1149 1 43 ARG HB2 1 44 VAL H . . 4.050 3.900 3.865 3.935 . 0 0 "[ . 1 . 2]" 1 1150 1 43 ARG HB2 1 44 VAL QG . . 4.610 4.444 4.414 4.495 . 0 0 "[ . 1 . 2]" 1 1151 1 43 ARG HB3 1 43 ARG HD2 . . 4.020 2.656 2.294 3.533 . 0 0 "[ . 1 . 2]" 1 1152 1 43 ARG HB3 1 43 ARG QD . . 3.330 2.308 2.210 2.561 . 0 0 "[ . 1 . 2]" 1 1153 1 43 ARG HB3 1 43 ARG HD3 . . 4.020 2.678 2.456 2.911 . 0 0 "[ . 1 . 2]" 1 1154 1 43 ARG HB3 1 44 VAL H . . 3.620 3.175 3.126 3.244 . 0 0 "[ . 1 . 2]" 1 1155 1 43 ARG HE 1 43 ARG HG2 . . 3.410 2.829 2.537 3.082 . 0 0 "[ . 1 . 2]" 1 1156 1 43 ARG HE 1 43 ARG HG3 . . 3.410 2.532 2.137 3.596 0.186 10 0 "[ . 1 . 2]" 1 1157 1 44 VAL H 1 44 VAL MG1 . . 4.140 3.111 3.073 3.158 . 0 0 "[ . 1 . 2]" 1 1158 1 44 VAL H 1 44 VAL QG . . 2.930 2.037 1.981 2.266 . 0 0 "[ . 1 . 2]" 1 1159 1 44 VAL H 1 44 VAL MG2 . . 4.140 2.066 2.005 2.334 . 0 0 "[ . 1 . 2]" 1 1160 1 44 VAL H 1 45 SER H . . 4.620 4.416 4.405 4.431 . 0 0 "[ . 1 . 2]" 1 1161 1 44 VAL HA 1 44 VAL MG1 . . 3.360 2.244 2.207 2.277 . 0 0 "[ . 1 . 2]" 1 1162 1 44 VAL HA 1 44 VAL QG . . 2.790 2.201 2.169 2.231 . 0 0 "[ . 1 . 2]" 1 1163 1 44 VAL HA 1 44 VAL MG2 . . 3.360 3.193 3.190 3.202 . 0 0 "[ . 1 . 2]" 1 1164 1 44 VAL HA 1 45 SER H . . 2.870 2.547 2.479 2.569 . 0 0 "[ . 1 . 2]" 1 1165 1 44 VAL HA 1 45 SER HB2 . . 5.500 5.104 4.722 5.562 0.062 6 0 "[ . 1 . 2]" 1 1166 1 44 VAL HA 1 45 SER HB3 . . 5.500 5.234 4.948 5.564 0.064 13 0 "[ . 1 . 2]" 1 1167 1 44 VAL HA 1 48 VAL HB . . 4.790 4.460 4.291 4.568 . 0 0 "[ . 1 . 2]" 1 1168 1 44 VAL HA 1 48 VAL MG1 . . 5.260 4.503 4.298 4.635 . 0 0 "[ . 1 . 2]" 1 1169 1 44 VAL HA 1 48 VAL QG . . 4.510 4.017 3.845 4.107 . 0 0 "[ . 1 . 2]" 1 1170 1 44 VAL HA 1 48 VAL MG2 . . 5.260 4.516 4.335 4.618 . 0 0 "[ . 1 . 2]" 1 1171 1 44 VAL HA 1 49 ALA MB . . 5.500 5.554 5.539 5.586 0.086 14 0 "[ . 1 . 2]" 1 1172 1 44 VAL HB 1 45 SER H . . 2.790 2.089 2.042 2.219 . 0 0 "[ . 1 . 2]" 1 1173 1 44 VAL HB 1 48 VAL HB . . 3.890 2.296 2.127 2.422 . 0 0 "[ . 1 . 2]" 1 1174 1 44 VAL HB 1 48 VAL MG1 . . 3.970 2.515 2.334 2.693 . 0 0 "[ . 1 . 2]" 1 1175 1 44 VAL HB 1 48 VAL QG . . 3.150 2.428 2.279 2.566 . 0 0 "[ . 1 . 2]" 1 1176 1 44 VAL HB 1 48 VAL MG2 . . 3.970 3.209 3.133 3.266 . 0 0 "[ . 1 . 2]" 1 1177 1 44 VAL HB 1 49 ALA H . . 4.830 3.808 3.640 3.951 . 0 0 "[ . 1 . 2]" 1 1178 1 44 VAL HB 1 49 ALA MB . . 5.260 4.293 4.195 4.397 . 0 0 "[ . 1 . 2]" 1 1179 1 44 VAL QG 1 45 SER H . . 3.530 2.956 2.884 3.052 . 0 0 "[ . 1 . 2]" 1 1180 1 44 VAL QG 1 45 SER HA . . 5.440 4.196 4.055 4.258 . 0 0 "[ . 1 . 2]" 1 1181 1 44 VAL QG 1 46 ALA HA . . 4.560 4.397 4.309 4.469 . 0 0 "[ . 1 . 2]" 1 1182 1 44 VAL QG 1 47 GLY H . . 5.440 5.301 5.228 5.375 . 0 0 "[ . 1 . 2]" 1 1183 1 44 VAL QG 1 48 VAL H . . 4.180 4.037 3.931 4.106 . 0 0 "[ . 1 . 2]" 1 1184 1 44 VAL QG 1 48 VAL HA . . 4.540 4.550 4.521 4.562 0.022 13 0 "[ . 1 . 2]" 1 1185 1 44 VAL QG 1 48 VAL HB . . 3.410 2.582 2.493 2.696 . 0 0 "[ . 1 . 2]" 1 1186 1 44 VAL QG 1 48 VAL QG . . 2.780 2.380 2.282 2.487 . 0 0 "[ . 1 . 2]" 1 1187 1 44 VAL QG 1 49 ALA H . . 3.110 2.325 2.275 2.493 . 0 0 "[ . 1 . 2]" 1 1188 1 44 VAL QG 1 49 ALA HA . . 3.270 2.614 2.515 2.657 . 0 0 "[ . 1 . 2]" 1 1189 1 44 VAL QG 1 49 ALA MB . . 2.790 2.155 2.121 2.220 . 0 0 "[ . 1 . 2]" 1 1190 1 44 VAL QG 1 50 ALA H . . 4.520 4.521 4.487 4.544 0.024 3 0 "[ . 1 . 2]" 1 1191 1 44 VAL QG 1 52 MET HB3 . . 5.400 4.427 4.317 4.556 . 0 0 "[ . 1 . 2]" 1 1192 1 44 VAL QG 1 52 MET ME . . 3.640 3.247 3.154 3.342 . 0 0 "[ . 1 . 2]" 1 1193 1 44 VAL QG 1 52 MET HG3 . . 5.350 2.824 2.658 3.065 . 0 0 "[ . 1 . 2]" 1 1194 1 44 VAL QG 1 53 THR H . . 5.440 5.406 5.216 5.466 0.026 3 0 "[ . 1 . 2]" 1 1195 1 44 VAL MG1 1 52 MET ME . . 4.190 3.428 3.329 3.540 . 0 0 "[ . 1 . 2]" 1 1196 1 44 VAL MG2 1 52 MET ME . . 4.190 4.023 3.884 4.137 . 0 0 "[ . 1 . 2]" 1 1197 1 45 SER H 1 45 SER HB2 . . 3.490 2.850 2.617 3.106 . 0 0 "[ . 1 . 2]" 1 1198 1 45 SER H 1 45 SER QB . . 3.040 2.535 2.254 2.886 . 0 0 "[ . 1 . 2]" 1 1199 1 45 SER H 1 45 SER HB3 . . 3.490 2.898 2.429 3.485 . 0 0 "[ . 1 . 2]" 1 1200 1 45 SER H 1 46 ALA H . . 4.670 4.622 4.612 4.637 . 0 0 "[ . 1 . 2]" 1 1201 1 45 SER H 1 48 VAL H . . 4.210 3.929 3.793 4.107 . 0 0 "[ . 1 . 2]" 1 1202 1 45 SER H 1 48 VAL HB . . 3.600 2.575 2.345 2.770 . 0 0 "[ . 1 . 2]" 1 1203 1 45 SER H 1 48 VAL QG . . 3.210 2.579 2.414 2.692 . 0 0 "[ . 1 . 2]" 1 1204 1 45 SER HA 1 46 ALA H . . 2.640 2.310 2.236 2.364 . 0 0 "[ . 1 . 2]" 1 1205 1 45 SER HA 1 46 ALA MB . . 5.500 4.085 4.049 4.120 . 0 0 "[ . 1 . 2]" 1 1206 1 45 SER HA 1 47 GLY H . . 4.830 4.137 3.989 4.210 . 0 0 "[ . 1 . 2]" 1 1207 1 45 SER QB 1 47 GLY H . . 3.940 2.925 2.472 3.252 . 0 0 "[ . 1 . 2]" 1 1208 1 45 SER QB 1 47 GLY HA3 . . 4.370 4.106 3.684 4.403 0.033 1 0 "[ . 1 . 2]" 1 1209 1 45 SER QB 1 48 VAL H . . 4.010 2.352 2.239 2.429 . 0 0 "[ . 1 . 2]" 1 1210 1 45 SER QB 1 48 VAL HB . . 4.810 3.012 2.743 3.411 . 0 0 "[ . 1 . 2]" 1 1211 1 45 SER QB 1 48 VAL QG . . 3.950 1.971 1.900 2.147 . 0 0 "[ . 1 . 2]" 1 1212 1 45 SER HB2 1 46 ALA H . . 3.730 3.604 3.344 3.799 0.069 14 0 "[ . 1 . 2]" 1 1213 1 45 SER HB2 1 48 VAL H . . 4.560 3.298 2.252 4.136 . 0 0 "[ . 1 . 2]" 1 1214 1 45 SER HB2 1 48 VAL HB . . 5.500 3.862 3.295 4.289 . 0 0 "[ . 1 . 2]" 1 1215 1 45 SER HB3 1 46 ALA H . . 3.730 3.469 3.080 3.763 0.033 19 0 "[ . 1 . 2]" 1 1216 1 45 SER HB3 1 48 VAL H . . 4.560 3.130 2.416 4.024 . 0 0 "[ . 1 . 2]" 1 1217 1 45 SER HB3 1 48 VAL HB . . 5.500 3.682 2.779 4.875 . 0 0 "[ . 1 . 2]" 1 1218 1 46 ALA H 1 46 ALA MB . . 2.660 2.177 2.032 2.235 . 0 0 "[ . 1 . 2]" 1 1219 1 46 ALA H 1 47 GLY H . . 3.470 2.716 2.642 2.812 . 0 0 "[ . 1 . 2]" 1 1220 1 46 ALA H 1 48 VAL H . . 4.500 4.154 4.101 4.232 . 0 0 "[ . 1 . 2]" 1 1221 1 46 ALA H 1 48 VAL HB . . 5.500 5.363 5.282 5.478 . 0 0 "[ . 1 . 2]" 1 1222 1 46 ALA H 1 49 ALA MB . . 5.150 4.944 4.817 5.001 . 0 0 "[ . 1 . 2]" 1 1223 1 46 ALA HA 1 48 VAL HB . . 5.500 5.504 5.438 5.535 0.035 12 0 "[ . 1 . 2]" 1 1224 1 46 ALA HA 1 48 VAL QG . . 5.440 5.376 5.297 5.438 . 0 0 "[ . 1 . 2]" 1 1225 1 46 ALA HA 1 49 ALA H . . 3.970 3.934 3.819 3.999 0.029 19 0 "[ . 1 . 2]" 1 1226 1 46 ALA HA 1 49 ALA MB . . 3.250 3.066 2.936 3.132 . 0 0 "[ . 1 . 2]" 1 1227 1 46 ALA MB 1 47 GLY H . . 3.410 2.738 2.664 2.849 . 0 0 "[ . 1 . 2]" 1 1228 1 46 ALA MB 1 48 VAL H . . 5.090 4.557 4.452 4.652 . 0 0 "[ . 1 . 2]" 1 1229 1 46 ALA MB 1 49 ALA MB . . 4.450 4.320 4.225 4.376 . 0 0 "[ . 1 . 2]" 1 1230 1 47 GLY H 1 48 VAL H . . 3.370 2.442 2.429 2.461 . 0 0 "[ . 1 . 2]" 1 1231 1 47 GLY H 1 48 VAL HB . . 5.210 4.693 4.661 4.733 . 0 0 "[ . 1 . 2]" 1 1232 1 47 GLY H 1 48 VAL QG . . 4.530 3.785 3.678 3.887 . 0 0 "[ . 1 . 2]" 1 1233 1 47 GLY H 1 49 ALA MB . . 5.170 4.886 4.841 4.967 . 0 0 "[ . 1 . 2]" 1 1234 1 47 GLY HA2 1 50 ALA H . . 4.160 3.703 3.619 3.807 . 0 0 "[ . 1 . 2]" 1 1235 1 47 GLY HA2 1 50 ALA MB . . 3.330 2.889 2.722 3.044 . 0 0 "[ . 1 . 2]" 1 1236 1 47 GLY HA3 1 48 VAL H . . 3.390 2.921 2.857 2.986 . 0 0 "[ . 1 . 2]" 1 1237 1 47 GLY HA3 1 50 ALA MB . . 4.620 4.204 4.079 4.349 . 0 0 "[ . 1 . 2]" 1 1238 1 48 VAL H 1 48 VAL HB . . 2.970 2.508 2.493 2.525 . 0 0 "[ . 1 . 2]" 1 1239 1 48 VAL H 1 48 VAL QG . . 2.920 2.149 2.098 2.190 . 0 0 "[ . 1 . 2]" 1 1240 1 48 VAL H 1 49 ALA H . . 2.770 2.662 2.546 2.747 . 0 0 "[ . 1 . 2]" 1 1241 1 48 VAL H 1 49 ALA MB . . 4.320 4.185 4.073 4.267 . 0 0 "[ . 1 . 2]" 1 1242 1 48 VAL H 1 50 ALA H . . 4.250 4.057 3.981 4.179 . 0 0 "[ . 1 . 2]" 1 1243 1 48 VAL H 1 50 ALA MB . . 5.500 4.692 4.624 4.788 . 0 0 "[ . 1 . 2]" 1 1244 1 48 VAL HA 1 48 VAL MG1 . . 3.020 2.341 2.297 2.406 . 0 0 "[ . 1 . 2]" 1 1245 1 48 VAL HA 1 48 VAL QG . . 2.550 2.111 2.071 2.150 . 0 0 "[ . 1 . 2]" 1 1246 1 48 VAL HA 1 48 VAL MG2 . . 3.020 2.400 2.342 2.427 . 0 0 "[ . 1 . 2]" 1 1247 1 48 VAL HA 1 50 ALA H . . 4.530 4.206 4.140 4.360 . 0 0 "[ . 1 . 2]" 1 1248 1 48 VAL HA 1 50 ALA MB . . 5.010 4.511 4.447 4.587 . 0 0 "[ . 1 . 2]" 1 1249 1 48 VAL HA 1 51 GLU H . . 3.740 3.590 3.551 3.622 . 0 0 "[ . 1 . 2]" 1 1250 1 48 VAL HA 1 51 GLU QB . . 3.400 3.379 3.166 3.414 0.014 15 0 "[ . 1 . 2]" 1 1251 1 48 VAL HA 1 51 GLU QG . . 5.120 4.191 3.548 5.131 0.011 6 0 "[ . 1 . 2]" 1 1252 1 48 VAL HA 1 52 MET H . . 4.530 4.489 4.195 4.539 0.009 8 0 "[ . 1 . 2]" 1 1253 1 48 VAL HA 1 52 MET HG3 . . 5.500 5.460 4.970 5.516 0.016 7 0 "[ . 1 . 2]" 1 1254 1 48 VAL HB 1 49 ALA H . . 3.200 2.429 2.399 2.469 . 0 0 "[ . 1 . 2]" 1 1255 1 48 VAL HB 1 49 ALA MB . . 4.270 3.990 3.966 4.014 . 0 0 "[ . 1 . 2]" 1 1256 1 48 VAL HB 1 50 ALA H . . 5.180 4.896 4.855 4.979 . 0 0 "[ . 1 . 2]" 1 1257 1 48 VAL QG 1 49 ALA H . . 3.660 3.100 3.054 3.144 . 0 0 "[ . 1 . 2]" 1 1258 1 48 VAL QG 1 49 ALA HA . . 3.910 3.392 3.259 3.510 . 0 0 "[ . 1 . 2]" 1 1259 1 48 VAL QG 1 51 GLU H . . 4.340 4.131 4.064 4.204 . 0 0 "[ . 1 . 2]" 1 1260 1 48 VAL QG 1 51 GLU QB . . 4.390 3.474 3.349 3.613 . 0 0 "[ . 1 . 2]" 1 1261 1 48 VAL QG 1 52 MET H . . 3.940 3.696 3.552 3.792 . 0 0 "[ . 1 . 2]" 1 1262 1 48 VAL QG 1 52 MET HB2 . . 4.610 4.293 3.827 4.435 . 0 0 "[ . 1 . 2]" 1 1263 1 48 VAL QG 1 52 MET HG2 . . 4.050 2.522 2.329 2.624 . 0 0 "[ . 1 . 2]" 1 1264 1 48 VAL QG 1 52 MET HG3 . . 3.930 2.793 2.304 2.916 . 0 0 "[ . 1 . 2]" 1 1265 1 48 VAL MG1 1 49 ALA H . . 4.310 3.296 3.222 3.374 . 0 0 "[ . 1 . 2]" 1 1266 1 48 VAL MG1 1 51 GLU H . . 5.500 4.294 4.205 4.396 . 0 0 "[ . 1 . 2]" 1 1267 1 48 VAL MG2 1 49 ALA H . . 4.310 3.775 3.739 3.804 . 0 0 "[ . 1 . 2]" 1 1268 1 48 VAL MG2 1 51 GLU H . . 5.500 5.375 5.322 5.400 . 0 0 "[ . 1 . 2]" 1 1269 1 49 ALA H 1 49 ALA MB . . 2.710 2.107 2.088 2.121 . 0 0 "[ . 1 . 2]" 1 1270 1 49 ALA H 1 50 ALA H . . 3.110 2.801 2.785 2.834 . 0 0 "[ . 1 . 2]" 1 1271 1 49 ALA H 1 50 ALA MB . . 4.640 4.394 4.347 4.454 . 0 0 "[ . 1 . 2]" 1 1272 1 49 ALA H 1 52 MET HB2 . . 5.400 5.105 4.876 5.204 . 0 0 "[ . 1 . 2]" 1 1273 1 49 ALA H 1 52 MET HG2 . . 5.250 4.439 4.330 5.000 . 0 0 "[ . 1 . 2]" 1 1274 1 49 ALA H 1 60 MET ME . . 5.500 4.777 4.610 4.928 . 0 0 "[ . 1 . 2]" 1 1275 1 49 ALA HA 1 50 ALA HA . . 4.980 4.882 4.874 4.885 . 0 0 "[ . 1 . 2]" 1 1276 1 49 ALA HA 1 50 ALA MB . . 5.260 4.993 4.980 5.015 . 0 0 "[ . 1 . 2]" 1 1277 1 49 ALA HA 1 51 GLU H . . 4.450 4.201 4.151 4.287 . 0 0 "[ . 1 . 2]" 1 1278 1 49 ALA HA 1 52 MET H . . 3.620 3.233 3.152 3.385 . 0 0 "[ . 1 . 2]" 1 1279 1 49 ALA HA 1 52 MET HB2 . . 3.640 2.438 2.311 2.532 . 0 0 "[ . 1 . 2]" 1 1280 1 49 ALA HA 1 52 MET HB3 . . 4.140 3.957 3.831 4.135 . 0 0 "[ . 1 . 2]" 1 1281 1 49 ALA HA 1 52 MET HG2 . . 4.510 2.828 2.694 3.605 . 0 0 "[ . 1 . 2]" 1 1282 1 49 ALA HA 1 52 MET HG3 . . 4.680 2.780 2.671 3.124 . 0 0 "[ . 1 . 2]" 1 1283 1 49 ALA HA 1 53 THR H . . 4.040 3.701 3.448 3.773 . 0 0 "[ . 1 . 2]" 1 1284 1 49 ALA HA 1 53 THR MG . . 4.490 3.643 3.249 3.931 . 0 0 "[ . 1 . 2]" 1 1285 1 49 ALA HA 1 60 MET ME . . 4.620 4.047 3.876 4.266 . 0 0 "[ . 1 . 2]" 1 1286 1 49 ALA MB 1 50 ALA H . . 3.000 2.729 2.649 2.761 . 0 0 "[ . 1 . 2]" 1 1287 1 49 ALA MB 1 50 ALA HA . . 4.200 3.775 3.742 3.791 . 0 0 "[ . 1 . 2]" 1 1288 1 49 ALA MB 1 50 ALA MB . . 3.950 3.932 3.886 3.950 0.000 7 0 "[ . 1 . 2]" 1 1289 1 49 ALA MB 1 51 GLU H . . 4.800 4.567 4.495 4.594 . 0 0 "[ . 1 . 2]" 1 1290 1 49 ALA MB 1 52 MET H . . 5.090 4.503 4.392 4.647 . 0 0 "[ . 1 . 2]" 1 1291 1 49 ALA MB 1 52 MET HG2 . . 5.500 4.408 4.298 5.037 . 0 0 "[ . 1 . 2]" 1 1292 1 49 ALA MB 1 60 MET HA . . 5.500 5.131 4.860 5.323 . 0 0 "[ . 1 . 2]" 1 1293 1 49 ALA MB 1 60 MET ME . . 2.890 1.972 1.831 2.116 . 0 0 "[ . 1 . 2]" 1 1294 1 50 ALA H 1 50 ALA MB . . 2.670 2.122 2.045 2.232 . 0 0 "[ . 1 . 2]" 1 1295 1 50 ALA H 1 51 GLU H . . 2.930 2.833 2.819 2.843 . 0 0 "[ . 1 . 2]" 1 1296 1 50 ALA H 1 52 MET H . . 4.540 4.260 4.106 4.436 . 0 0 "[ . 1 . 2]" 1 1297 1 50 ALA H 1 60 MET ME . . 4.540 4.356 4.196 4.509 . 0 0 "[ . 1 . 2]" 1 1298 1 50 ALA HA 1 53 THR H . . 4.360 4.114 4.056 4.182 . 0 0 "[ . 1 . 2]" 1 1299 1 50 ALA HA 1 53 THR MG . . 4.620 3.901 3.525 4.221 . 0 0 "[ . 1 . 2]" 1 1300 1 50 ALA HA 1 60 MET ME . . 4.390 4.083 3.879 4.406 0.016 12 0 "[ . 1 . 2]" 1 1301 1 50 ALA MB 1 51 GLU H . . 3.110 2.556 2.497 2.611 . 0 0 "[ . 1 . 2]" 1 1302 1 50 ALA MB 1 51 GLU QB . . 4.600 3.958 3.630 4.152 . 0 0 "[ . 1 . 2]" 1 1303 1 50 ALA MB 1 51 GLU QG . . 5.040 3.765 3.077 5.041 0.001 2 0 "[ . 1 . 2]" 1 1304 1 50 ALA MB 1 53 THR H . . 5.300 5.083 5.000 5.105 . 0 0 "[ . 1 . 2]" 1 1305 1 50 ALA MB 1 54 GLU H . . 5.220 4.941 4.826 4.997 . 0 0 "[ . 1 . 2]" 1 1306 1 50 ALA MB 1 54 GLU QB . . 5.440 4.264 3.980 4.513 . 0 0 "[ . 1 . 2]" 1 1307 1 50 ALA MB 1 60 MET ME . . 4.760 4.663 4.450 4.757 . 0 0 "[ . 1 . 2]" 1 1308 1 51 GLU H 1 51 GLU HB2 . . 3.630 2.279 2.184 2.505 . 0 0 "[ . 1 . 2]" 1 1309 1 51 GLU H 1 51 GLU QB . . 2.860 2.235 2.135 2.306 . 0 0 "[ . 1 . 2]" 1 1310 1 51 GLU H 1 51 GLU HB3 . . 3.630 3.367 2.600 3.574 . 0 0 "[ . 1 . 2]" 1 1311 1 51 GLU H 1 51 GLU QG . . 4.020 3.150 2.573 4.050 0.030 16 0 "[ . 1 . 2]" 1 1312 1 51 GLU H 1 52 MET H . . 2.860 2.521 2.468 2.591 . 0 0 "[ . 1 . 2]" 1 1313 1 51 GLU H 1 53 THR H . . 4.420 4.326 4.214 4.390 . 0 0 "[ . 1 . 2]" 1 1314 1 51 GLU H 1 54 GLU H . . 4.700 4.585 4.477 4.634 . 0 0 "[ . 1 . 2]" 1 1315 1 51 GLU HA 1 51 GLU QB . . 2.600 2.457 2.400 2.516 . 0 0 "[ . 1 . 2]" 1 1316 1 51 GLU HA 1 51 GLU QG . . 3.150 2.385 2.201 2.658 . 0 0 "[ . 1 . 2]" 1 1317 1 51 GLU HA 1 55 ARG QD . . 5.500 5.461 5.255 5.530 0.030 7 0 "[ . 1 . 2]" 1 1318 1 51 GLU QB 1 51 GLU QG . . 2.280 2.015 1.989 2.031 . 0 0 "[ . 1 . 2]" 1 1319 1 51 GLU QB 1 52 MET H . . 3.140 2.552 2.404 2.683 . 0 0 "[ . 1 . 2]" 1 1320 1 51 GLU QB 1 55 ARG QD . . 4.700 4.237 3.796 4.705 0.005 6 0 "[ . 1 . 2]" 1 1321 1 51 GLU HB2 1 51 GLU QG . . 2.760 2.187 2.129 2.425 . 0 0 "[ . 1 . 2]" 1 1322 1 51 GLU HB3 1 51 GLU QG . . 2.760 2.420 2.151 2.524 . 0 0 "[ . 1 . 2]" 1 1323 1 51 GLU QG 1 52 MET H . . 4.200 4.196 4.098 4.215 0.015 16 0 "[ . 1 . 2]" 1 1324 1 51 GLU QG 1 55 ARG QG . . 5.280 4.274 2.822 5.200 . 0 0 "[ . 1 . 2]" 1 1325 1 52 MET H 1 52 MET HB2 . . 3.100 2.614 2.531 2.641 . 0 0 "[ . 1 . 2]" 1 1326 1 52 MET H 1 52 MET HB3 . . 3.600 3.588 3.586 3.591 . 0 0 "[ . 1 . 2]" 1 1327 1 52 MET H 1 52 MET HG2 . . 3.480 1.972 1.940 2.113 . 0 0 "[ . 1 . 2]" 1 1328 1 52 MET H 1 52 MET HG3 . . 3.710 3.458 3.336 3.569 . 0 0 "[ . 1 . 2]" 1 1329 1 52 MET H 1 53 THR H . . 3.010 2.916 2.843 2.951 . 0 0 "[ . 1 . 2]" 1 1330 1 52 MET H 1 53 THR MG . . 5.450 4.373 4.257 4.534 . 0 0 "[ . 1 . 2]" 1 1331 1 52 MET H 1 54 GLU H . . 4.060 3.934 3.863 3.976 . 0 0 "[ . 1 . 2]" 1 1332 1 52 MET HA 1 52 MET ME . . 3.940 3.388 3.187 3.654 . 0 0 "[ . 1 . 2]" 1 1333 1 52 MET HA 1 52 MET HG2 . . 3.560 3.065 2.819 3.116 . 0 0 "[ . 1 . 2]" 1 1334 1 52 MET HA 1 52 MET HG3 . . 3.880 3.793 3.760 3.808 . 0 0 "[ . 1 . 2]" 1 1335 1 52 MET HA 1 55 ARG H . . 3.800 3.582 3.512 3.761 . 0 0 "[ . 1 . 2]" 1 1336 1 52 MET HA 1 55 ARG HB2 . . 3.550 3.078 2.821 3.298 . 0 0 "[ . 1 . 2]" 1 1337 1 52 MET HA 1 55 ARG QD . . 5.500 4.411 3.719 5.166 . 0 0 "[ . 1 . 2]" 1 1338 1 52 MET HA 1 57 LEU HB2 . . 5.410 4.712 4.276 4.973 . 0 0 "[ . 1 . 2]" 1 1339 1 52 MET HA 1 58 ALA MB . . 4.260 3.819 3.620 4.181 . 0 0 "[ . 1 . 2]" 1 1340 1 52 MET HB2 1 53 THR H . . 3.500 2.300 2.283 2.419 . 0 0 "[ . 1 . 2]" 1 1341 1 52 MET HB2 1 53 THR HA . . 4.840 4.216 4.181 4.297 . 0 0 "[ . 1 . 2]" 1 1342 1 52 MET HB2 1 58 ALA MB . . 4.790 3.444 3.350 3.685 . 0 0 "[ . 1 . 2]" 1 1343 1 52 MET HB3 1 52 MET ME . . 2.980 2.135 1.974 2.434 . 0 0 "[ . 1 . 2]" 1 1344 1 52 MET HB3 1 53 THR H . . 3.770 3.453 3.367 3.578 . 0 0 "[ . 1 . 2]" 1 1345 1 52 MET HB3 1 53 THR MG . . 4.080 3.893 3.747 3.973 . 0 0 "[ . 1 . 2]" 1 1346 1 52 MET HB3 1 57 LEU QD . . 5.440 5.302 5.059 5.437 . 0 0 "[ . 1 . 2]" 1 1347 1 52 MET HB3 1 58 ALA H . . 4.720 4.197 4.057 4.380 . 0 0 "[ . 1 . 2]" 1 1348 1 52 MET HB3 1 58 ALA MB . . 3.410 2.261 2.067 2.557 . 0 0 "[ . 1 . 2]" 1 1349 1 52 MET ME 1 52 MET HG2 . . 3.390 3.376 3.339 3.392 0.002 13 0 "[ . 1 . 2]" 1 1350 1 52 MET ME 1 52 MET HG3 . . 3.080 2.423 2.281 2.484 . 0 0 "[ . 1 . 2]" 1 1351 1 52 MET ME 1 57 LEU QD . . 4.260 4.200 4.058 4.261 0.001 20 0 "[ . 1 . 2]" 1 1352 1 52 MET ME 1 58 ALA HA . . 5.220 4.931 4.816 5.041 . 0 0 "[ . 1 . 2]" 1 1353 1 52 MET ME 1 58 ALA MB . . 2.850 2.438 2.302 2.596 . 0 0 "[ . 1 . 2]" 1 1354 1 52 MET HG2 1 53 THR H . . 4.530 4.096 4.054 4.274 . 0 0 "[ . 1 . 2]" 1 1355 1 52 MET HG3 1 53 THR H . . 4.830 4.604 4.532 4.712 . 0 0 "[ . 1 . 2]" 1 1356 1 53 THR H 1 53 THR HB . . 3.660 3.618 3.611 3.628 . 0 0 "[ . 1 . 2]" 1 1357 1 53 THR H 1 53 THR MG . . 3.010 2.086 1.935 2.295 . 0 0 "[ . 1 . 2]" 1 1358 1 53 THR H 1 54 GLU H . . 3.000 2.586 2.458 2.643 . 0 0 "[ . 1 . 2]" 1 1359 1 53 THR H 1 54 GLU QB . . 4.990 4.368 4.227 4.442 . 0 0 "[ . 1 . 2]" 1 1360 1 53 THR H 1 55 ARG H . . 4.230 4.028 3.946 4.074 . 0 0 "[ . 1 . 2]" 1 1361 1 53 THR H 1 55 ARG HB2 . . 5.430 5.277 5.081 5.436 0.006 4 0 "[ . 1 . 2]" 1 1362 1 53 THR H 1 58 ALA MB . . 4.700 4.399 4.314 4.498 . 0 0 "[ . 1 . 2]" 1 1363 1 53 THR HA 1 53 THR MG . . 2.900 2.421 2.349 2.467 . 0 0 "[ . 1 . 2]" 1 1364 1 53 THR HA 1 54 GLU HA . . 4.770 4.740 4.718 4.763 . 0 0 "[ . 1 . 2]" 1 1365 1 53 THR HA 1 55 ARG H . . 4.730 3.941 3.733 4.031 . 0 0 "[ . 1 . 2]" 1 1366 1 53 THR HA 1 56 GLY H . . 3.760 3.435 3.304 3.528 . 0 0 "[ . 1 . 2]" 1 1367 1 53 THR HA 1 56 GLY HA2 . . 5.160 4.269 3.986 4.448 . 0 0 "[ . 1 . 2]" 1 1368 1 53 THR HA 1 57 LEU H . . 5.110 4.325 4.036 4.769 . 0 0 "[ . 1 . 2]" 1 1369 1 53 THR HA 1 58 ALA H . . 3.780 3.590 3.387 3.687 . 0 0 "[ . 1 . 2]" 1 1370 1 53 THR HA 1 58 ALA HA . . 5.450 5.421 5.248 5.458 0.008 19 0 "[ . 1 . 2]" 1 1371 1 53 THR HA 1 58 ALA MB . . 4.030 3.917 3.579 4.034 0.004 18 0 "[ . 1 . 2]" 1 1372 1 53 THR HB 1 54 GLU H . . 4.180 3.949 3.859 4.012 . 0 0 "[ . 1 . 2]" 1 1373 1 53 THR HB 1 59 ARG QG . . 5.090 4.676 4.246 5.091 0.001 12 0 "[ . 1 . 2]" 1 1374 1 53 THR HB 1 60 MET ME . . 4.870 4.740 4.496 4.877 0.007 9 0 "[ . 1 . 2]" 1 1375 1 53 THR MG 1 54 GLU H . . 4.320 3.885 3.815 4.009 . 0 0 "[ . 1 . 2]" 1 1376 1 53 THR MG 1 54 GLU HA . . 5.500 5.409 5.383 5.436 . 0 0 "[ . 1 . 2]" 1 1377 1 53 THR MG 1 56 GLY H . . 5.300 5.275 5.136 5.304 0.004 2 0 "[ . 1 . 2]" 1 1378 1 53 THR MG 1 59 ARG HA . . 3.180 2.806 2.434 3.179 . 0 0 "[ . 1 . 2]" 1 1379 1 53 THR MG 1 59 ARG QB . . 5.340 4.621 4.268 4.943 . 0 0 "[ . 1 . 2]" 1 1380 1 53 THR MG 1 60 MET H . . 3.360 2.855 2.484 3.116 . 0 0 "[ . 1 . 2]" 1 1381 1 53 THR MG 1 60 MET HA . . 4.170 4.054 3.558 4.173 0.003 8 0 "[ . 1 . 2]" 1 1382 1 53 THR MG 1 60 MET HB3 . . 4.690 4.476 4.071 4.691 0.001 20 0 "[ . 1 . 2]" 1 1383 1 53 THR MG 1 60 MET ME . . 3.330 2.504 2.357 2.602 . 0 0 "[ . 1 . 2]" 1 1384 1 53 THR MG 1 60 MET HG2 . . 4.110 2.438 1.900 2.694 . 0 0 "[ . 1 . 2]" 1 1385 1 53 THR MG 1 60 MET QG . . 3.450 2.119 1.801 2.347 . 0 0 "[ . 1 . 2]" 1 1386 1 53 THR MG 1 60 MET HG3 . . 4.110 2.355 1.948 2.778 . 0 0 "[ . 1 . 2]" 1 1387 1 54 GLU H 1 54 GLU QB . . 3.290 2.216 2.136 2.276 . 0 0 "[ . 1 . 2]" 1 1388 1 54 GLU H 1 55 ARG H . . 2.970 2.474 2.426 2.522 . 0 0 "[ . 1 . 2]" 1 1389 1 54 GLU H 1 55 ARG QG . . 4.390 4.156 3.951 4.391 0.001 15 0 "[ . 1 . 2]" 1 1390 1 54 GLU H 1 56 GLY H . . 4.280 4.053 3.956 4.125 . 0 0 "[ . 1 . 2]" 1 1391 1 54 GLU HA 1 55 ARG H . . 3.500 3.444 3.381 3.464 . 0 0 "[ . 1 . 2]" 1 1392 1 54 GLU QB 1 55 ARG H . . 3.790 2.982 2.882 3.149 . 0 0 "[ . 1 . 2]" 1 1393 1 54 GLU QB 1 55 ARG QG . . 5.340 3.444 3.292 3.716 . 0 0 "[ . 1 . 2]" 1 1394 1 55 ARG H 1 55 ARG HB2 . . 3.020 2.408 2.272 2.531 . 0 0 "[ . 1 . 2]" 1 1395 1 55 ARG H 1 55 ARG HB3 . . 3.640 3.590 3.547 3.624 . 0 0 "[ . 1 . 2]" 1 1396 1 55 ARG H 1 55 ARG QD . . 4.770 4.389 4.138 4.576 . 0 0 "[ . 1 . 2]" 1 1397 1 55 ARG H 1 55 ARG HG2 . . 3.630 2.766 2.486 3.613 . 0 0 "[ . 1 . 2]" 1 1398 1 55 ARG H 1 55 ARG QG . . 3.030 2.578 2.375 2.962 . 0 0 "[ . 1 . 2]" 1 1399 1 55 ARG H 1 55 ARG HG3 . . 3.630 3.156 2.702 3.546 . 0 0 "[ . 1 . 2]" 1 1400 1 55 ARG H 1 57 LEU H . . 4.150 3.969 3.840 4.046 . 0 0 "[ . 1 . 2]" 1 1401 1 55 ARG H 1 57 LEU QD . . 4.960 4.770 4.595 4.899 . 0 0 "[ . 1 . 2]" 1 1402 1 55 ARG H 1 58 ALA H . . 4.940 4.866 4.784 4.942 0.002 12 0 "[ . 1 . 2]" 1 1403 1 55 ARG H 1 58 ALA MB . . 5.500 5.508 5.502 5.514 0.014 15 0 "[ . 1 . 2]" 1 1404 1 55 ARG HA 1 55 ARG QD . . 3.690 3.412 2.446 3.718 0.028 15 0 "[ . 1 . 2]" 1 1405 1 55 ARG HA 1 55 ARG HG2 . . 3.760 2.476 2.206 2.624 . 0 0 "[ . 1 . 2]" 1 1406 1 55 ARG HA 1 55 ARG QG . . 3.120 2.439 2.175 2.575 . 0 0 "[ . 1 . 2]" 1 1407 1 55 ARG HA 1 55 ARG HG3 . . 3.760 3.668 3.310 3.749 . 0 0 "[ . 1 . 2]" 1 1408 1 55 ARG HA 1 56 GLY H . . 3.530 3.466 3.445 3.491 . 0 0 "[ . 1 . 2]" 1 1409 1 55 ARG HA 1 56 GLY HA3 . . 5.430 4.531 4.517 4.537 . 0 0 "[ . 1 . 2]" 1 1410 1 55 ARG HA 1 57 LEU MD1 . . 5.500 4.296 4.069 4.580 . 0 0 "[ . 1 . 2]" 1 1411 1 55 ARG HA 1 57 LEU QD . . 4.370 4.116 3.964 4.265 . 0 0 "[ . 1 . 2]" 1 1412 1 55 ARG HA 1 57 LEU MD2 . . 5.500 5.329 4.838 5.501 0.001 6 0 "[ . 1 . 2]" 1 1413 1 55 ARG HA 1 57 LEU HG . . 4.640 4.374 4.161 4.521 . 0 0 "[ . 1 . 2]" 1 1414 1 55 ARG HB2 1 55 ARG QD . . 3.420 3.124 2.787 3.405 . 0 0 "[ . 1 . 2]" 1 1415 1 55 ARG HB2 1 55 ARG QG . . 2.590 2.140 2.131 2.185 . 0 0 "[ . 1 . 2]" 1 1416 1 55 ARG HB2 1 56 GLY H . . 3.980 2.998 2.874 3.128 . 0 0 "[ . 1 . 2]" 1 1417 1 55 ARG HB2 1 57 LEU H . . 3.420 2.829 2.519 3.202 . 0 0 "[ . 1 . 2]" 1 1418 1 55 ARG HB2 1 57 LEU QD . . 4.370 2.917 2.635 3.173 . 0 0 "[ . 1 . 2]" 1 1419 1 55 ARG HB3 1 55 ARG QD . . 3.430 2.194 1.932 2.472 . 0 0 "[ . 1 . 2]" 1 1420 1 55 ARG HB3 1 56 GLY H . . 4.120 3.886 3.759 4.022 . 0 0 "[ . 1 . 2]" 1 1421 1 55 ARG HB3 1 57 LEU H . . 4.100 3.561 3.234 3.925 . 0 0 "[ . 1 . 2]" 1 1422 1 55 ARG HB3 1 57 LEU QD . . 4.140 2.119 1.973 2.394 . 0 0 "[ . 1 . 2]" 1 1423 1 55 ARG HB3 1 57 LEU HG . . 4.030 2.546 2.139 2.932 . 0 0 "[ . 1 . 2]" 1 1424 1 55 ARG HB3 1 58 ALA H . . 5.430 5.215 4.906 5.432 0.002 7 0 "[ . 1 . 2]" 1 1425 1 55 ARG QD 1 57 LEU QD . . 3.520 2.510 2.004 3.160 . 0 0 "[ . 1 . 2]" 1 1426 1 55 ARG QG 1 56 GLY H . . 4.730 4.213 4.075 4.396 . 0 0 "[ . 1 . 2]" 1 1427 1 55 ARG QG 1 57 LEU QD . . 4.410 3.409 3.279 3.648 . 0 0 "[ . 1 . 2]" 1 1428 1 56 GLY H 1 56 GLY HA2 . . 2.840 2.324 2.316 2.335 . 0 0 "[ . 1 . 2]" 1 1429 1 56 GLY H 1 57 LEU H . . 3.020 2.424 2.354 2.564 . 0 0 "[ . 1 . 2]" 1 1430 1 56 GLY H 1 57 LEU QD . . 5.050 4.481 4.377 4.597 . 0 0 "[ . 1 . 2]" 1 1431 1 56 GLY H 1 57 LEU HG . . 4.410 4.111 3.926 4.239 . 0 0 "[ . 1 . 2]" 1 1432 1 56 GLY H 1 58 ALA H . . 3.960 3.590 3.464 3.697 . 0 0 "[ . 1 . 2]" 1 1433 1 56 GLY HA2 1 57 LEU HA . . 4.840 4.534 4.477 4.718 . 0 0 "[ . 1 . 2]" 1 1434 1 56 GLY HA2 1 57 LEU QD . . 5.440 4.875 4.624 5.023 . 0 0 "[ . 1 . 2]" 1 1435 1 56 GLY HA2 1 58 ALA H . . 4.100 3.947 3.697 4.089 . 0 0 "[ . 1 . 2]" 1 1436 1 56 GLY HA3 1 57 LEU HA . . 4.660 4.498 4.443 4.521 . 0 0 "[ . 1 . 2]" 1 1437 1 56 GLY HA3 1 57 LEU QD . . 5.150 4.248 3.839 4.471 . 0 0 "[ . 1 . 2]" 1 1438 1 56 GLY HA3 1 58 ALA H . . 5.150 4.950 4.610 5.075 . 0 0 "[ . 1 . 2]" 1 1439 1 57 LEU H 1 57 LEU HB2 . . 3.640 2.658 2.586 2.728 . 0 0 "[ . 1 . 2]" 1 1440 1 57 LEU H 1 57 LEU MD1 . . 4.080 3.570 3.421 3.803 . 0 0 "[ . 1 . 2]" 1 1441 1 57 LEU H 1 57 LEU QD . . 3.430 3.242 3.009 3.335 . 0 0 "[ . 1 . 2]" 1 1442 1 57 LEU H 1 57 LEU MD2 . . 4.080 3.744 3.294 3.973 . 0 0 "[ . 1 . 2]" 1 1443 1 57 LEU H 1 57 LEU HG . . 2.810 2.504 2.073 2.702 . 0 0 "[ . 1 . 2]" 1 1444 1 57 LEU H 1 58 ALA H . . 2.840 2.020 1.899 2.427 . 0 0 "[ . 1 . 2]" 1 1445 1 57 LEU H 1 58 ALA HA . . 5.180 4.767 4.657 5.108 . 0 0 "[ . 1 . 2]" 1 1446 1 57 LEU H 1 58 ALA MB . . 4.320 4.003 3.902 4.324 0.004 11 0 "[ . 1 . 2]" 1 1447 1 57 LEU HA 1 57 LEU QD . . 2.870 2.393 2.163 2.558 . 0 0 "[ . 1 . 2]" 1 1448 1 57 LEU HA 1 57 LEU HG . . 3.410 3.074 2.968 3.282 . 0 0 "[ . 1 . 2]" 1 1449 1 57 LEU HA 1 58 ALA MB . . 5.470 4.737 4.689 4.810 . 0 0 "[ . 1 . 2]" 1 1450 1 57 LEU HB2 1 57 LEU MD1 . . 3.660 2.052 1.992 2.167 . 0 0 "[ . 1 . 2]" 1 1451 1 57 LEU HB2 1 57 LEU MD2 . . 3.660 3.155 3.133 3.185 . 0 0 "[ . 1 . 2]" 1 1452 1 57 LEU HB2 1 58 ALA H . . 3.710 2.970 2.834 3.013 . 0 0 "[ . 1 . 2]" 1 1453 1 57 LEU HB2 1 58 ALA MB . . 4.130 3.479 3.336 3.538 . 0 0 "[ . 1 . 2]" 1 1454 1 57 LEU HB3 1 57 LEU QD . . 2.980 2.075 1.985 2.160 . 0 0 "[ . 1 . 2]" 1 1455 1 57 LEU QD 1 58 ALA H . . 4.710 4.108 4.012 4.172 . 0 0 "[ . 1 . 2]" 1 1456 1 58 ALA H 1 58 ALA MB . . 3.230 2.502 2.387 2.572 . 0 0 "[ . 1 . 2]" 1 1457 1 58 ALA H 1 59 ARG H . . 4.530 4.437 4.407 4.474 . 0 0 "[ . 1 . 2]" 1 1458 1 58 ALA HA 1 59 ARG H . . 2.940 2.291 2.256 2.350 . 0 0 "[ . 1 . 2]" 1 1459 1 58 ALA HA 1 59 ARG QB . . 5.080 3.911 3.832 3.951 . 0 0 "[ . 1 . 2]" 1 1460 1 58 ALA MB 1 59 ARG H . . 3.450 2.675 2.620 2.747 . 0 0 "[ . 1 . 2]" 1 1461 1 58 ALA MB 1 59 ARG HA . . 4.250 3.964 3.895 4.009 . 0 0 "[ . 1 . 2]" 1 1462 1 58 ALA MB 1 60 MET H . . 5.500 5.163 4.795 5.305 . 0 0 "[ . 1 . 2]" 1 1463 1 59 ARG H 1 59 ARG HB2 . . 3.700 2.914 2.654 3.082 . 0 0 "[ . 1 . 2]" 1 1464 1 59 ARG H 1 59 ARG HB3 . . 3.700 2.934 2.745 3.258 . 0 0 "[ . 1 . 2]" 1 1465 1 59 ARG H 1 59 ARG QD . . 5.150 4.705 4.469 4.859 . 0 0 "[ . 1 . 2]" 1 1466 1 59 ARG HA 1 59 ARG QD . . 4.150 3.844 3.212 4.079 . 0 0 "[ . 1 . 2]" 1 1467 1 59 ARG HA 1 59 ARG QG . . 3.510 2.289 2.105 2.423 . 0 0 "[ . 1 . 2]" 1 1468 1 59 ARG HA 1 60 MET H . . 2.770 2.236 2.152 2.286 . 0 0 "[ . 1 . 2]" 1 1469 1 59 ARG QB 1 59 ARG QD . . 2.890 2.068 1.963 2.127 . 0 0 "[ . 1 . 2]" 1 1470 1 59 ARG QB 1 60 MET H . . 3.800 3.460 3.197 3.745 . 0 0 "[ . 1 . 2]" 1 1471 1 59 ARG HB2 1 59 ARG QD . . 3.520 2.429 2.033 2.987 . 0 0 "[ . 1 . 2]" 1 1472 1 59 ARG HB3 1 59 ARG QD . . 3.520 2.394 2.009 2.928 . 0 0 "[ . 1 . 2]" 1 1473 1 59 ARG QD 1 60 MET H . . 5.050 4.312 3.404 4.859 . 0 0 "[ . 1 . 2]" 1 1474 1 59 ARG QG 1 60 MET H . . 3.700 2.362 2.044 2.818 . 0 0 "[ . 1 . 2]" 1 1475 1 60 MET H 1 60 MET HB2 . . 3.000 2.660 2.556 2.707 . 0 0 "[ . 1 . 2]" 1 1476 1 60 MET H 1 60 MET HB3 . . 3.790 3.588 3.578 3.609 . 0 0 "[ . 1 . 2]" 1 1477 1 60 MET H 1 60 MET HG2 . . 3.440 2.761 2.486 3.007 . 0 0 "[ . 1 . 2]" 1 1478 1 60 MET H 1 60 MET QG . . 2.890 2.093 1.980 2.234 . 0 0 "[ . 1 . 2]" 1 1479 1 60 MET H 1 60 MET HG3 . . 3.440 2.178 2.024 2.375 . 0 0 "[ . 1 . 2]" 1 1480 1 60 MET H 1 61 GLN H . . 4.630 4.567 4.411 4.628 . 0 0 "[ . 1 . 2]" 1 1481 1 60 MET HA 1 60 MET ME . . 4.410 3.901 3.423 4.082 . 0 0 "[ . 1 . 2]" 1 1482 1 60 MET HA 1 60 MET HG2 . . 4.080 2.549 2.443 2.623 . 0 0 "[ . 1 . 2]" 1 1483 1 60 MET HA 1 60 MET HG3 . . 4.080 3.476 3.380 3.602 . 0 0 "[ . 1 . 2]" 1 1484 1 60 MET HA 1 61 GLN H . . 2.610 2.177 2.142 2.246 . 0 0 "[ . 1 . 2]" 1 1485 1 60 MET HB2 1 61 GLN H . . 4.350 4.020 3.840 4.237 . 0 0 "[ . 1 . 2]" 1 1486 1 60 MET HB2 1 61 GLN HA . . 5.290 5.109 4.804 5.290 . 18 0 "[ . 1 . 2]" 1 1487 1 60 MET HB3 1 61 GLN H . . 3.710 3.189 2.864 3.609 . 0 0 "[ . 1 . 2]" 1 1488 1 60 MET ME 1 60 MET HG2 . . 3.300 2.046 1.989 2.145 . 0 0 "[ . 1 . 2]" 1 1489 1 60 MET ME 1 60 MET QG . . 2.870 2.016 1.966 2.102 . 0 0 "[ . 1 . 2]" 1 1490 1 60 MET ME 1 60 MET HG3 . . 3.300 3.049 2.852 3.274 . 0 0 "[ . 1 . 2]" 1 1491 1 60 MET HG2 1 61 GLN H . . 5.500 4.552 4.334 4.723 . 0 0 "[ . 1 . 2]" 1 1492 1 60 MET HG3 1 61 GLN H . . 5.500 5.331 5.211 5.414 . 0 0 "[ . 1 . 2]" 1 1493 1 61 GLN H 1 61 GLN HB2 . . 3.040 2.478 2.228 2.719 . 0 0 "[ . 1 . 2]" 1 1494 1 61 GLN H 1 61 GLN HB3 . . 3.100 2.626 2.452 2.871 . 0 0 "[ . 1 . 2]" 1 1495 1 61 GLN HA 1 61 GLN HB2 . . 3.010 2.512 2.421 2.620 . 0 0 "[ . 1 . 2]" 1 1496 1 61 GLN HA 1 61 GLN QE . . 5.340 4.387 4.001 4.882 . 0 0 "[ . 1 . 2]" 1 1497 1 61 GLN HA 1 61 GLN HG2 . . 3.460 3.186 2.230 3.459 . 0 0 "[ . 1 . 2]" 1 1498 1 61 GLN HA 1 61 GLN QG . . 2.900 2.347 2.164 2.505 . 0 0 "[ . 1 . 2]" 1 1499 1 61 GLN HA 1 61 GLN HG3 . . 3.460 2.472 2.189 3.128 . 0 0 "[ . 1 . 2]" 1 1500 1 61 GLN HB2 1 61 GLN QE . . 4.510 3.011 2.632 3.674 . 0 0 "[ . 1 . 2]" 1 1501 1 61 GLN HB3 1 61 GLN QE . . 4.230 3.503 3.124 3.774 . 0 0 "[ . 1 . 2]" 1 stop_ save_
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