NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
477674 | 2l09 | 17035 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2l09 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 1230 _Distance_constraint_stats_list.Viol_count 959 _Distance_constraint_stats_list.Viol_total 635.477 _Distance_constraint_stats_list.Viol_max 0.198 _Distance_constraint_stats_list.Viol_rms 0.0085 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0013 _Distance_constraint_stats_list.Viol_average_violations_only 0.0331 _Distance_constraint_stats_list.Cutoff_violation_report 0.500 _Distance_constraint_stats_list.Details ; Description of the tags in this list: * 1 * Administrative tag * 2 * Administrative tag * 3 * Administrative tag * 4 * ID of the restraint list. * 5 * Number of restraints in list. * 6 * Number of violated restraints (each model violation is used). * 7 * Sum of violations in Angstrom. * 8 * Maximum violation of a restraint without averaging in any way. * 9 * Rms of violations over all restraints. * 10 * Average violation over all restraints. * 11 * Average violation over violated restraints. This violation is averaged over only those models in which the restraint is violated. These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998). * 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table. * 13 * This tag Description of the tags in the per residue table below: * 1 * Chain identifier (can be absent if none defined) * 2 * Residue number * 3 * Residue name * 4 * Maximum violation in ensemble of models (without any averaging) * 5 * Model number with the maximum violation * 6 * Number of models with a violation above cutoff * 7 * List of models (1 character per model) with a violation above cutoff. An '*' marks a violation above the cutoff. A '+' indicates the largest violation above the cutoff and a '-' marks the smallest violation over cutoff. For models 5, 15, 25,... a ' ' is replaced by a '.'. For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1. * 8 * Administrative tag * 9 * Administrative tag Description of the tags in the per restraint table below: * 1 * Restraint ID within restraint list. First node, FIRST member, first atom's: * 2 * Chain identifier (can be absent if none defined) * 3 * Residue number * 4 * Residue name * 5 * Name of (pseudo-)atom First node, SECOND member, first atom's: * 6 * Chain identifier (can be absent if none defined) * 7 * Residue number * 8 * Residue name * 9 * Name of (pseudo-)atom FIRST node's: * 10 * Target distance value (Angstrom) * 11 * Lower bound distance (Angstrom) * 12 * Upper bound distance (Angstrom) * 13 * Average distance in ensemble of models * 14 * Minimum distance in ensemble of models * 15 * Maximum distance in ensemble of models * 16 * Maximum violation (without any averaging) * 17 * Model number with the maximum violation * 18 * Number of models with a violation above cutoff * 19 * List of models with a violation above cutoff. See description above. * 20 * Administrative tag * 21 * Administrative tag ; loop_ _Distance_constraint_stats_per_res.Atom_entity_assembly_ID _Distance_constraint_stats_per_res.Atom_comp_index_ID _Distance_constraint_stats_per_res.Atom_comp_ID _Distance_constraint_stats_per_res.Total_violation _Distance_constraint_stats_per_res.Max_violation _Distance_constraint_stats_per_res.Max_violation_model_number _Distance_constraint_stats_per_res.Over_cutoff_viol_count _Distance_constraint_stats_per_res.Over_cutoff_viol_per_model 1 2 ASN 0.405 0.093 16 0 "[ . 1 . 2]" 1 3 LEU 0.574 0.046 8 0 "[ . 1 . 2]" 1 4 ARG 1.407 0.140 9 0 "[ . 1 . 2]" 1 5 TRP 3.972 0.140 9 0 "[ . 1 . 2]" 1 6 THR 2.111 0.068 18 0 "[ . 1 . 2]" 1 7 SER 0.181 0.060 10 0 "[ . 1 . 2]" 1 8 GLU 0.380 0.061 19 0 "[ . 1 . 2]" 1 9 ALA 0.436 0.061 19 0 "[ . 1 . 2]" 1 10 LYS 0.935 0.076 1 0 "[ . 1 . 2]" 1 11 THR 0.236 0.075 12 0 "[ . 1 . 2]" 1 12 LYS 1.112 0.099 8 0 "[ . 1 . 2]" 1 13 LEU 1.814 0.152 14 0 "[ . 1 . 2]" 1 14 LYS 0.341 0.077 16 0 "[ . 1 . 2]" 1 15 ASN 0.805 0.099 8 0 "[ . 1 . 2]" 1 16 ILE 1.603 0.120 17 0 "[ . 1 . 2]" 1 17 PRO 0.733 0.095 13 0 "[ . 1 . 2]" 1 18 PHE 0.463 0.090 4 0 "[ . 1 . 2]" 1 19 PHE 0.350 0.080 20 0 "[ . 1 . 2]" 1 20 ALA 1.243 0.095 13 0 "[ . 1 . 2]" 1 21 ARG 0.667 0.090 4 0 "[ . 1 . 2]" 1 22 SER 0.082 0.041 15 0 "[ . 1 . 2]" 1 23 GLN 0.878 0.077 1 0 "[ . 1 . 2]" 1 24 ALA 1.009 0.072 17 0 "[ . 1 . 2]" 1 25 LYS 2.430 0.152 14 0 "[ . 1 . 2]" 1 26 ALA 0.296 0.056 9 0 "[ . 1 . 2]" 1 27 ARG 1.123 0.093 10 0 "[ . 1 . 2]" 1 28 ILE 0.675 0.064 16 0 "[ . 1 . 2]" 1 29 GLU 0.232 0.041 19 0 "[ . 1 . 2]" 1 30 GLN 0.295 0.123 15 0 "[ . 1 . 2]" 1 31 LEU 1.717 0.093 10 0 "[ . 1 . 2]" 1 32 ALA 0.781 0.067 20 0 "[ . 1 . 2]" 1 33 ARG 0.949 0.147 17 0 "[ . 1 . 2]" 1 34 GLN 0.609 0.109 3 0 "[ . 1 . 2]" 1 35 ALA 1.186 0.198 13 0 "[ . 1 . 2]" 1 36 GLU 0.305 0.051 3 0 "[ . 1 . 2]" 1 37 GLN 1.062 0.198 13 0 "[ . 1 . 2]" 1 38 ASP 1.713 0.116 10 0 "[ . 1 . 2]" 1 39 ILE 2.233 0.102 10 0 "[ . 1 . 2]" 1 40 VAL 4.023 0.102 15 0 "[ . 1 . 2]" 1 41 THR 1.197 0.082 7 0 "[ . 1 . 2]" 1 42 PRO 1.789 0.102 19 0 "[ . 1 . 2]" 1 43 GLU 0.311 0.082 7 0 "[ . 1 . 2]" 1 44 LEU 1.345 0.109 3 0 "[ . 1 . 2]" 1 45 VAL 1.220 0.089 9 0 "[ . 1 . 2]" 1 46 GLU 0.649 0.084 4 0 "[ . 1 . 2]" 1 47 GLN 1.810 0.122 9 0 "[ . 1 . 2]" 1 48 ALA 0.608 0.093 19 0 "[ . 1 . 2]" 1 49 ARG 2.117 0.125 20 0 "[ . 1 . 2]" 1 50 LEU 3.184 0.127 5 0 "[ . 1 . 2]" 1 51 GLU 0.048 0.022 1 0 "[ . 1 . 2]" 1 52 PHE 2.058 0.127 5 0 "[ . 1 . 2]" 1 53 GLY 0.834 0.083 12 0 "[ . 1 . 2]" 1 54 GLN 0.193 0.083 17 0 "[ . 1 . 2]" 1 55 LEU 0.487 0.083 17 0 "[ . 1 . 2]" 1 56 GLU 0.219 0.081 6 0 "[ . 1 . 2]" stop_ loop_ _Distance_constraint_stats.Restraint_ID _Distance_constraint_stats.Atom_1_entity_assembly_ID _Distance_constraint_stats.Atom_1_comp_index_ID _Distance_constraint_stats.Atom_1_comp_ID _Distance_constraint_stats.Atom_1_ID _Distance_constraint_stats.Atom_2_entity_assembly_ID _Distance_constraint_stats.Atom_2_comp_index_ID _Distance_constraint_stats.Atom_2_comp_ID _Distance_constraint_stats.Atom_2_ID _Distance_constraint_stats.Node_1_distance_val _Distance_constraint_stats.Node_1_distance_lower_bound_val _Distance_constraint_stats.Node_1_distance_upper_bound_val _Distance_constraint_stats.Distance_average _Distance_constraint_stats.Distance_minimum _Distance_constraint_stats.Distance_maximum _Distance_constraint_stats.Max_violation _Distance_constraint_stats.Max_violation_model_number _Distance_constraint_stats.Over_cutoff_violation_count _Distance_constraint_stats.Over_cutoff_viol_per_model _Distance_constraint_stats.Distance_constraint_stats_ID 1 1 2 ASN HA 1 3 LEU MD2 1.800 . 4.950 4.426 4.048 4.835 . 0 0 "[ . 1 . 2]" 1 2 1 2 ASN HA 1 3 LEU H 1.800 . 2.480 2.246 2.116 2.481 0.001 6 0 "[ . 1 . 2]" 1 3 1 2 ASN HA 1 25 LYS QG 1.800 . 5.500 5.205 4.592 5.593 0.093 16 0 "[ . 1 . 2]" 1 4 1 2 ASN QB 1 3 LEU H 1.800 . 4.350 3.116 2.288 3.969 . 0 0 "[ . 1 . 2]" 1 5 1 3 LEU HA 1 3 LEU MD1 1.800 . 3.800 3.804 3.742 3.841 0.041 12 0 "[ . 1 . 2]" 1 6 1 3 LEU HA 1 3 LEU MD2 1.800 . 2.970 1.941 1.842 2.052 . 0 0 "[ . 1 . 2]" 1 7 1 3 LEU HA 1 3 LEU HG 1.800 . 4.020 3.145 3.068 3.279 . 0 0 "[ . 1 . 2]" 1 8 1 3 LEU HA 1 4 ARG H 1.800 . 3.510 2.591 2.464 2.637 . 0 0 "[ . 1 . 2]" 1 9 1 3 LEU HA 1 38 ASP HB3 1.800 . 6.230 4.524 3.655 5.755 . 0 0 "[ . 1 . 2]" 1 10 1 3 LEU HA 1 38 ASP HB2 1.800 . 6.230 5.797 5.271 6.238 0.008 18 0 "[ . 1 . 2]" 1 11 1 3 LEU QB 1 4 ARG QB 1.800 . 4.400 3.893 3.726 3.993 . 0 0 "[ . 1 . 2]" 1 12 1 3 LEU QB 1 29 GLU QB 1.800 . 4.880 3.515 3.132 4.508 . 0 0 "[ . 1 . 2]" 1 13 1 3 LEU QB 1 29 GLU QG 1.800 . 5.090 2.630 2.286 3.229 . 0 0 "[ . 1 . 2]" 1 14 1 3 LEU QB 1 38 ASP HA 1.800 . 4.910 3.377 2.866 3.738 . 0 0 "[ . 1 . 2]" 1 15 1 3 LEU QB 1 38 ASP QB 1.800 . 4.970 4.001 3.172 4.374 . 0 0 "[ . 1 . 2]" 1 16 1 3 LEU QB 1 40 VAL H 1.800 . 4.590 3.837 3.550 4.012 . 0 0 "[ . 1 . 2]" 1 17 1 3 LEU HB3 1 3 LEU MD1 1.800 . 3.350 2.326 2.271 2.370 . 0 0 "[ . 1 . 2]" 1 18 1 3 LEU HB3 1 3 LEU MD2 1.800 . 4.030 2.425 2.383 2.488 . 0 0 "[ . 1 . 2]" 1 19 1 3 LEU HB3 1 4 ARG H 1.800 . 4.460 2.067 1.962 2.235 . 0 0 "[ . 1 . 2]" 1 20 1 3 LEU HB3 1 29 GLU HA 1.800 . 5.500 4.885 4.681 5.416 . 0 0 "[ . 1 . 2]" 1 21 1 3 LEU HB3 1 40 VAL MG1 1.800 . 3.860 2.928 2.632 3.191 . 0 0 "[ . 1 . 2]" 1 22 1 3 LEU HB2 1 3 LEU MD1 1.800 . 3.350 2.379 2.343 2.429 . 0 0 "[ . 1 . 2]" 1 23 1 3 LEU HB2 1 3 LEU MD2 1.800 . 4.030 3.198 3.192 3.203 . 0 0 "[ . 1 . 2]" 1 24 1 3 LEU HB2 1 4 ARG H 1.800 . 4.460 3.300 3.217 3.478 . 0 0 "[ . 1 . 2]" 1 25 1 3 LEU HB2 1 29 GLU HA 1.800 . 5.500 3.865 3.650 4.204 . 0 0 "[ . 1 . 2]" 1 26 1 3 LEU HB2 1 40 VAL MG1 1.800 . 3.860 2.579 2.298 2.809 . 0 0 "[ . 1 . 2]" 1 27 1 3 LEU MD1 1 28 ILE MG 1.800 . 4.540 4.414 4.139 4.569 0.029 4 0 "[ . 1 . 2]" 1 28 1 3 LEU MD1 1 29 GLU HA 1.800 . 3.250 2.148 1.947 2.554 . 0 0 "[ . 1 . 2]" 1 29 1 3 LEU MD1 1 29 GLU HB3 1.800 . 4.970 2.457 2.169 3.236 . 0 0 "[ . 1 . 2]" 1 30 1 3 LEU MD1 1 29 GLU HB2 1.800 . 4.970 3.805 3.576 4.438 . 0 0 "[ . 1 . 2]" 1 31 1 3 LEU MD1 1 29 GLU HG3 1.800 . 4.560 4.133 3.748 4.579 0.019 18 0 "[ . 1 . 2]" 1 32 1 3 LEU MD1 1 29 GLU HG2 1.800 . 4.560 2.876 2.312 3.254 . 0 0 "[ . 1 . 2]" 1 33 1 3 LEU MD1 1 32 ALA MB 1.800 . 2.710 1.959 1.804 2.163 . 0 0 "[ . 1 . 2]" 1 34 1 3 LEU MD1 1 32 ALA H 1.800 . 5.000 3.832 3.630 4.141 . 0 0 "[ . 1 . 2]" 1 35 1 3 LEU MD1 1 33 ARG QB 1.800 . 5.500 4.130 3.609 4.452 . 0 0 "[ . 1 . 2]" 1 36 1 3 LEU MD1 1 33 ARG QD 1.800 . 5.000 3.372 2.438 4.278 . 0 0 "[ . 1 . 2]" 1 37 1 3 LEU MD1 1 33 ARG QG 1.800 . 3.770 2.364 1.759 2.771 0.041 8 0 "[ . 1 . 2]" 1 38 1 3 LEU MD1 1 33 ARG H 1.800 . 5.000 3.294 2.848 3.581 . 0 0 "[ . 1 . 2]" 1 39 1 3 LEU MD1 1 37 GLN H 1.800 . 5.370 4.805 4.254 5.326 . 0 0 "[ . 1 . 2]" 1 40 1 3 LEU MD1 1 38 ASP HA 1.800 . 3.190 2.798 2.224 3.236 0.046 8 0 "[ . 1 . 2]" 1 41 1 3 LEU MD1 1 39 ILE H 1.800 . 5.320 4.495 3.761 4.843 . 0 0 "[ . 1 . 2]" 1 42 1 3 LEU MD1 1 40 VAL MG1 1.800 . 4.980 2.496 2.193 2.681 . 0 0 "[ . 1 . 2]" 1 43 1 3 LEU MD1 1 40 VAL MG2 1.800 . 4.980 4.426 4.118 4.531 . 0 0 "[ . 1 . 2]" 1 44 1 3 LEU MD1 1 40 VAL H 1.800 . 4.790 4.641 4.312 4.803 0.013 13 0 "[ . 1 . 2]" 1 45 1 3 LEU MD2 1 4 ARG H 1.800 . 4.270 3.352 3.193 3.613 . 0 0 "[ . 1 . 2]" 1 46 1 3 LEU MD2 1 29 GLU QB 1.800 . 5.000 3.862 3.330 4.217 . 0 0 "[ . 1 . 2]" 1 47 1 3 LEU MD2 1 29 GLU QG 1.800 . 4.650 4.543 4.196 4.678 0.028 4 0 "[ . 1 . 2]" 1 48 1 3 LEU MD2 1 32 ALA MB 1.800 . 4.590 3.910 3.649 4.135 . 0 0 "[ . 1 . 2]" 1 49 1 3 LEU MD2 1 33 ARG HG3 1.800 . 4.960 4.109 2.951 4.954 . 0 0 "[ . 1 . 2]" 1 50 1 3 LEU MD2 1 33 ARG HG2 1.800 . 4.960 3.594 2.517 4.254 . 0 0 "[ . 1 . 2]" 1 51 1 3 LEU MD2 1 38 ASP HA 1.800 . 3.250 2.343 1.822 3.058 . 0 0 "[ . 1 . 2]" 1 52 1 3 LEU MD2 1 40 VAL MG1 1.800 . 5.000 4.247 3.946 4.427 . 0 0 "[ . 1 . 2]" 1 53 1 3 LEU MD2 1 40 VAL MG2 1.800 . 6.500 5.755 5.449 5.903 . 0 0 "[ . 1 . 2]" 1 54 1 3 LEU HG 1 29 GLU HA 1.800 . 5.500 3.956 3.532 4.208 . 0 0 "[ . 1 . 2]" 1 55 1 3 LEU HG 1 29 GLU QG 1.800 . 5.220 3.274 2.715 3.502 . 0 0 "[ . 1 . 2]" 1 56 1 3 LEU HG 1 40 VAL MG1 1.800 . 4.400 4.140 3.897 4.406 0.006 10 0 "[ . 1 . 2]" 1 57 1 3 LEU H 1 3 LEU HB3 1.800 . 3.770 3.637 3.582 3.715 . 0 0 "[ . 1 . 2]" 1 58 1 3 LEU H 1 3 LEU HB2 1.800 . 3.770 2.455 2.376 2.534 . 0 0 "[ . 1 . 2]" 1 59 1 3 LEU H 1 3 LEU MD2 1.800 . 4.010 3.470 3.223 3.737 . 0 0 "[ . 1 . 2]" 1 60 1 3 LEU H 1 3 LEU HG 1.800 . 4.590 2.680 2.318 3.102 . 0 0 "[ . 1 . 2]" 1 61 1 4 ARG HA 1 4 ARG QG 1.800 . 3.340 2.405 2.166 2.528 . 0 0 "[ . 1 . 2]" 1 62 1 4 ARG HA 1 5 TRP H 1.800 . 2.640 2.118 2.061 2.184 . 0 0 "[ . 1 . 2]" 1 63 1 4 ARG QB 1 4 ARG QD 1.800 . 3.090 2.144 2.087 2.374 . 0 0 "[ . 1 . 2]" 1 64 1 4 ARG QB 1 5 TRP H 1.800 . 4.450 3.545 3.054 3.973 . 0 0 "[ . 1 . 2]" 1 65 1 4 ARG QB 1 39 ILE HA 1.800 . 4.010 2.236 1.988 2.752 . 0 0 "[ . 1 . 2]" 1 66 1 4 ARG QB 1 39 ILE MD 1.800 . 4.830 3.562 1.841 3.954 . 0 0 "[ . 1 . 2]" 1 67 1 4 ARG QB 1 39 ILE HG13 1.800 . 5.000 3.291 2.983 4.673 . 0 0 "[ . 1 . 2]" 1 68 1 4 ARG QB 1 39 ILE HG12 1.800 . 5.000 2.295 1.865 4.168 . 0 0 "[ . 1 . 2]" 1 69 1 4 ARG QB 1 39 ILE MG 1.800 . 3.770 2.901 2.469 3.629 . 0 0 "[ . 1 . 2]" 1 70 1 4 ARG QB 1 39 ILE H 1.800 . 5.000 4.261 3.831 4.696 . 0 0 "[ . 1 . 2]" 1 71 1 4 ARG QB 1 40 VAL H 1.800 . 4.440 3.767 3.556 4.137 . 0 0 "[ . 1 . 2]" 1 72 1 4 ARG QD 1 5 TRP H 1.800 . 5.370 5.282 4.863 5.510 0.140 9 0 "[ . 1 . 2]" 1 73 1 4 ARG QD 1 39 ILE MD 1.800 . 4.260 2.969 1.951 3.738 . 0 0 "[ . 1 . 2]" 1 74 1 4 ARG QD 1 39 ILE HG13 1.800 . 4.850 3.274 2.533 4.269 . 0 0 "[ . 1 . 2]" 1 75 1 4 ARG QD 1 39 ILE HG12 1.800 . 4.850 2.452 1.779 4.396 0.021 15 0 "[ . 1 . 2]" 1 76 1 4 ARG QG 1 5 TRP H 1.800 . 4.180 3.770 2.823 4.286 0.106 5 0 "[ . 1 . 2]" 1 77 1 4 ARG H 1 4 ARG QB 1.800 . 2.910 2.357 2.241 2.521 . 0 0 "[ . 1 . 2]" 1 78 1 4 ARG H 1 4 ARG QD 1.800 . 4.690 4.151 3.785 4.485 . 0 0 "[ . 1 . 2]" 1 79 1 4 ARG H 1 4 ARG QG 1.800 . 4.840 3.021 2.146 4.007 . 0 0 "[ . 1 . 2]" 1 80 1 4 ARG H 1 5 TRP H 1.800 . 4.700 4.366 4.190 4.522 . 0 0 "[ . 1 . 2]" 1 81 1 4 ARG H 1 38 ASP HB3 1.800 . 4.750 3.682 3.083 4.334 . 0 0 "[ . 1 . 2]" 1 82 1 4 ARG H 1 38 ASP HB2 1.800 . 4.750 4.711 4.313 4.866 0.116 10 0 "[ . 1 . 2]" 1 83 1 4 ARG H 1 39 ILE HA 1.800 . 5.000 3.127 2.699 3.548 . 0 0 "[ . 1 . 2]" 1 84 1 4 ARG H 1 40 VAL MG1 1.800 . 5.000 4.003 3.793 4.259 . 0 0 "[ . 1 . 2]" 1 85 1 5 TRP HA 1 5 TRP HE3 1.800 . 4.250 3.803 3.633 3.963 . 0 0 "[ . 1 . 2]" 1 86 1 5 TRP HA 1 6 THR MG 1.800 . 4.250 3.864 3.594 4.017 . 0 0 "[ . 1 . 2]" 1 87 1 5 TRP HA 1 6 THR H 1.800 . 2.670 2.140 2.105 2.172 . 0 0 "[ . 1 . 2]" 1 88 1 5 TRP HA 1 9 ALA MB 1.800 . 4.430 3.109 2.933 3.291 . 0 0 "[ . 1 . 2]" 1 89 1 5 TRP HA 1 10 LYS QG 1.800 . 4.790 4.229 3.978 4.469 . 0 0 "[ . 1 . 2]" 1 90 1 5 TRP HA 1 39 ILE HA 1.800 . 4.530 4.503 4.267 4.603 0.073 17 0 "[ . 1 . 2]" 1 91 1 5 TRP HA 1 39 ILE MG 1.800 . 4.340 4.020 3.706 4.350 0.010 19 0 "[ . 1 . 2]" 1 92 1 5 TRP HA 1 40 VAL MG1 1.800 . 3.970 3.806 3.550 3.961 . 0 0 "[ . 1 . 2]" 1 93 1 5 TRP HA 1 40 VAL MG2 1.800 . 4.190 1.769 1.698 1.857 0.102 15 0 "[ . 1 . 2]" 1 94 1 5 TRP HA 1 40 VAL H 1.800 . 5.000 3.042 2.855 3.192 . 0 0 "[ . 1 . 2]" 1 95 1 5 TRP QB 1 5 TRP HZ3 1.800 . 4.990 4.655 4.638 4.682 . 0 0 "[ . 1 . 2]" 1 96 1 5 TRP QB 1 9 ALA H 1.800 . 5.190 4.846 4.693 4.930 . 0 0 "[ . 1 . 2]" 1 97 1 5 TRP QB 1 10 LYS HA 1.800 . 4.910 3.620 3.445 3.795 . 0 0 "[ . 1 . 2]" 1 98 1 5 TRP QB 1 10 LYS HE2 1.800 . 5.500 3.916 2.105 5.224 . 0 0 "[ . 1 . 2]" 1 99 1 5 TRP QB 1 40 VAL MG2 1.800 . 5.220 3.112 3.039 3.181 . 0 0 "[ . 1 . 2]" 1 100 1 5 TRP QB 1 40 VAL H 1.800 . 5.240 5.072 4.909 5.210 . 0 0 "[ . 1 . 2]" 1 101 1 5 TRP QB 1 45 VAL MG2 1.800 . 4.980 4.773 4.522 4.895 . 0 0 "[ . 1 . 2]" 1 102 1 5 TRP HB3 1 5 TRP HE3 1.800 . 4.090 2.400 2.381 2.430 . 0 0 "[ . 1 . 2]" 1 103 1 5 TRP HB3 1 6 THR H 1.800 . 5.050 3.340 3.172 3.432 . 0 0 "[ . 1 . 2]" 1 104 1 5 TRP HB3 1 9 ALA MB 1.800 . 4.330 2.792 2.585 2.961 . 0 0 "[ . 1 . 2]" 1 105 1 5 TRP HB3 1 10 LYS QB 1.800 . 5.330 4.235 4.008 4.431 . 0 0 "[ . 1 . 2]" 1 106 1 5 TRP HB3 1 10 LYS QD 1.800 . 4.520 3.816 3.143 4.528 0.008 13 0 "[ . 1 . 2]" 1 107 1 5 TRP HB3 1 10 LYS HG3 1.800 . 4.190 2.352 1.979 2.692 . 0 0 "[ . 1 . 2]" 1 108 1 5 TRP HB3 1 10 LYS HG2 1.800 . 4.190 2.751 2.243 3.094 . 0 0 "[ . 1 . 2]" 1 109 1 5 TRP HB3 1 10 LYS H 1.800 . 4.830 3.419 3.363 3.495 . 0 0 "[ . 1 . 2]" 1 110 1 5 TRP HB2 1 5 TRP HE3 1.800 . 4.090 3.923 3.869 3.978 . 0 0 "[ . 1 . 2]" 1 111 1 5 TRP HB2 1 6 THR H 1.800 . 5.050 4.291 4.200 4.348 . 0 0 "[ . 1 . 2]" 1 112 1 5 TRP HB2 1 10 LYS QB 1.800 . 5.330 4.831 4.553 5.065 . 0 0 "[ . 1 . 2]" 1 113 1 5 TRP HB2 1 10 LYS QD 1.800 . 4.520 3.569 2.807 4.493 . 0 0 "[ . 1 . 2]" 1 114 1 5 TRP HB2 1 10 LYS HG3 1.800 . 4.190 3.157 2.984 3.450 . 0 0 "[ . 1 . 2]" 1 115 1 5 TRP HB2 1 10 LYS HG2 1.800 . 4.190 2.990 2.574 3.319 . 0 0 "[ . 1 . 2]" 1 116 1 5 TRP HB2 1 10 LYS H 1.800 . 4.830 4.851 4.724 4.906 0.076 1 0 "[ . 1 . 2]" 1 117 1 5 TRP HE3 1 6 THR H 1.800 . 4.390 4.407 4.335 4.432 0.042 11 0 "[ . 1 . 2]" 1 118 1 5 TRP HE3 1 9 ALA HA 1.800 . 4.800 4.153 3.943 4.347 . 0 0 "[ . 1 . 2]" 1 119 1 5 TRP HE3 1 9 ALA MB 1.800 . 3.060 2.229 2.043 2.423 . 0 0 "[ . 1 . 2]" 1 120 1 5 TRP HE3 1 9 ALA H 1.800 . 5.500 4.947 4.786 5.041 . 0 0 "[ . 1 . 2]" 1 121 1 5 TRP HE3 1 10 LYS HA 1.800 . 3.440 3.058 2.734 3.452 0.012 19 0 "[ . 1 . 2]" 1 122 1 5 TRP HE3 1 10 LYS QB 1.800 . 5.500 4.651 4.278 5.091 . 0 0 "[ . 1 . 2]" 1 123 1 5 TRP HE3 1 10 LYS HG3 1.800 . 5.000 3.689 3.212 4.230 . 0 0 "[ . 1 . 2]" 1 124 1 5 TRP HE3 1 10 LYS HG2 1.800 . 5.000 3.858 3.304 4.468 . 0 0 "[ . 1 . 2]" 1 125 1 5 TRP HE3 1 13 LEU QB 1.800 . 4.900 3.356 3.185 3.483 . 0 0 "[ . 1 . 2]" 1 126 1 5 TRP HE3 1 13 LEU MD2 1.800 . 5.040 3.531 3.398 3.644 . 0 0 "[ . 1 . 2]" 1 127 1 5 TRP HE3 1 28 ILE MD 1.800 . 5.290 4.573 4.249 4.801 . 0 0 "[ . 1 . 2]" 1 128 1 5 TRP HE3 1 40 VAL HB 1.800 . 5.340 5.197 4.707 5.321 . 0 0 "[ . 1 . 2]" 1 129 1 5 TRP HE3 1 40 VAL MG2 1.800 . 3.990 2.859 2.530 3.001 . 0 0 "[ . 1 . 2]" 1 130 1 5 TRP HE3 1 45 VAL MG2 1.800 . 4.780 3.169 2.819 3.304 . 0 0 "[ . 1 . 2]" 1 131 1 5 TRP HH2 1 13 LEU MD1 1.800 . 3.510 2.297 2.084 2.523 . 0 0 "[ . 1 . 2]" 1 132 1 5 TRP HH2 1 13 LEU MD2 1.800 . 3.220 2.913 2.655 3.211 . 0 0 "[ . 1 . 2]" 1 133 1 5 TRP HH2 1 25 LYS HA 1.800 . 3.380 2.338 2.106 2.610 . 0 0 "[ . 1 . 2]" 1 134 1 5 TRP HH2 1 25 LYS QG 1.800 . 4.240 2.800 2.528 2.965 . 0 0 "[ . 1 . 2]" 1 135 1 5 TRP HH2 1 28 ILE HB 1.800 . 4.040 2.738 2.514 2.996 . 0 0 "[ . 1 . 2]" 1 136 1 5 TRP HH2 1 28 ILE MD 1.800 . 3.210 1.865 1.785 2.024 0.015 11 0 "[ . 1 . 2]" 1 137 1 5 TRP HH2 1 28 ILE QG 1.800 . 4.850 3.730 3.601 3.966 . 0 0 "[ . 1 . 2]" 1 138 1 5 TRP HH2 1 28 ILE MG 1.800 . 3.630 2.851 2.723 3.193 . 0 0 "[ . 1 . 2]" 1 139 1 5 TRP HH2 1 28 ILE H 1.800 . 5.500 4.801 4.523 5.151 . 0 0 "[ . 1 . 2]" 1 140 1 5 TRP HH2 1 29 GLU QG 1.800 . 5.210 3.906 3.617 4.242 . 0 0 "[ . 1 . 2]" 1 141 1 5 TRP HH2 1 40 VAL MG2 1.800 . 4.530 4.161 4.097 4.244 . 0 0 "[ . 1 . 2]" 1 142 1 5 TRP H 1 5 TRP HB3 1.800 . 3.900 3.631 3.589 3.689 . 0 0 "[ . 1 . 2]" 1 143 1 5 TRP H 1 5 TRP HB2 1.800 . 3.900 2.411 2.363 2.488 . 0 0 "[ . 1 . 2]" 1 144 1 5 TRP H 1 6 THR MG 1.800 . 5.500 5.358 5.141 5.508 0.008 15 0 "[ . 1 . 2]" 1 145 1 5 TRP H 1 6 THR H 1.800 . 4.530 4.435 4.377 4.494 . 0 0 "[ . 1 . 2]" 1 146 1 5 TRP H 1 9 ALA MB 1.800 . 5.500 5.290 5.088 5.432 . 0 0 "[ . 1 . 2]" 1 147 1 5 TRP H 1 10 LYS QG 1.800 . 4.860 4.660 4.412 4.882 0.022 18 0 "[ . 1 . 2]" 1 148 1 5 TRP HZ2 1 13 LEU MD2 1.800 . 3.650 3.654 3.508 3.693 0.043 3 0 "[ . 1 . 2]" 1 149 1 5 TRP HZ2 1 25 LYS HA 1.800 . 4.810 3.129 2.898 3.664 . 0 0 "[ . 1 . 2]" 1 150 1 5 TRP HZ2 1 25 LYS HE3 1.800 . 4.650 4.485 3.033 4.699 0.049 12 0 "[ . 1 . 2]" 1 151 1 5 TRP HZ2 1 25 LYS HE2 1.800 . 4.520 3.140 2.284 4.588 0.068 11 0 "[ . 1 . 2]" 1 152 1 5 TRP HZ2 1 28 ILE MD 1.800 . 5.450 3.766 3.622 3.917 . 0 0 "[ . 1 . 2]" 1 153 1 5 TRP HZ2 1 28 ILE MG 1.800 . 4.160 3.746 3.567 3.998 . 0 0 "[ . 1 . 2]" 1 154 1 5 TRP HZ2 1 29 GLU HA 1.800 . 5.280 4.987 4.791 5.321 0.041 19 0 "[ . 1 . 2]" 1 155 1 5 TRP HZ2 1 29 GLU HG3 1.800 . 4.280 2.337 2.018 3.176 . 0 0 "[ . 1 . 2]" 1 156 1 5 TRP HZ2 1 29 GLU HG2 1.800 . 4.280 3.160 2.794 3.791 . 0 0 "[ . 1 . 2]" 1 157 1 5 TRP HZ2 1 29 GLU H 1.800 . 5.470 4.007 3.730 4.638 . 0 0 "[ . 1 . 2]" 1 158 1 5 TRP HZ2 1 40 VAL MG1 1.800 . 4.800 4.117 3.924 4.378 . 0 0 "[ . 1 . 2]" 1 159 1 5 TRP HZ2 1 40 VAL MG2 1.800 . 4.720 4.105 3.985 4.332 . 0 0 "[ . 1 . 2]" 1 160 1 5 TRP HZ3 1 9 ALA HA 1.800 . 5.500 4.566 4.343 4.740 . 0 0 "[ . 1 . 2]" 1 161 1 5 TRP HZ3 1 9 ALA MB 1.800 . 3.770 3.213 3.056 3.412 . 0 0 "[ . 1 . 2]" 1 162 1 5 TRP HZ3 1 10 LYS HA 1.800 . 4.900 4.199 3.658 4.880 . 0 0 "[ . 1 . 2]" 1 163 1 5 TRP HZ3 1 13 LEU HB3 1.800 . 4.530 3.764 3.511 4.403 . 0 0 "[ . 1 . 2]" 1 164 1 5 TRP HZ3 1 13 LEU HB2 1.800 . 4.530 2.148 1.974 2.729 . 0 0 "[ . 1 . 2]" 1 165 1 5 TRP HZ3 1 13 LEU MD1 1.800 . 3.770 2.691 2.492 2.877 . 0 0 "[ . 1 . 2]" 1 166 1 5 TRP HZ3 1 13 LEU MD2 1.800 . 4.050 2.829 2.607 3.163 . 0 0 "[ . 1 . 2]" 1 167 1 5 TRP HZ3 1 13 LEU HG 1.800 . 5.200 4.733 4.599 5.080 . 0 0 "[ . 1 . 2]" 1 168 1 5 TRP HZ3 1 28 ILE HB 1.800 . 5.160 4.576 4.295 4.877 . 0 0 "[ . 1 . 2]" 1 169 1 5 TRP HZ3 1 28 ILE MD 1.800 . 3.350 2.586 2.225 2.822 . 0 0 "[ . 1 . 2]" 1 170 1 5 TRP HZ3 1 28 ILE MG 1.800 . 4.290 3.168 2.861 3.551 . 0 0 "[ . 1 . 2]" 1 171 1 5 TRP HZ3 1 40 VAL MG2 1.800 . 4.300 3.607 3.315 3.750 . 0 0 "[ . 1 . 2]" 1 172 1 5 TRP HZ3 1 45 VAL HA 1.800 . 5.410 4.442 3.938 4.679 . 0 0 "[ . 1 . 2]" 1 173 1 5 TRP HZ3 1 45 VAL MG1 1.800 . 4.420 2.768 2.412 2.983 . 0 0 "[ . 1 . 2]" 1 174 1 5 TRP HZ3 1 45 VAL MG2 1.800 . 3.400 2.241 1.875 2.421 . 0 0 "[ . 1 . 2]" 1 175 1 6 THR HA 1 6 THR HB 1.800 . 2.840 2.514 2.410 2.554 . 0 0 "[ . 1 . 2]" 1 176 1 6 THR HA 1 6 THR MG 1.800 . 2.980 2.330 2.276 2.451 . 0 0 "[ . 1 . 2]" 1 177 1 6 THR HA 1 39 ILE MD 1.800 . 6.210 5.955 5.263 6.223 0.013 12 0 "[ . 1 . 2]" 1 178 1 6 THR HA 1 39 ILE MG 1.800 . 4.250 4.062 3.690 4.305 0.055 9 0 "[ . 1 . 2]" 1 179 1 6 THR HB 1 7 SER H 1.800 . 3.940 2.563 2.321 2.701 . 0 0 "[ . 1 . 2]" 1 180 1 6 THR HB 1 8 GLU QB 1.800 . 4.480 3.556 3.168 4.215 . 0 0 "[ . 1 . 2]" 1 181 1 6 THR HB 1 8 GLU QG 1.800 . 4.760 4.317 3.806 4.787 0.027 17 0 "[ . 1 . 2]" 1 182 1 6 THR HB 1 8 GLU H 1.800 . 3.150 2.770 2.585 3.003 . 0 0 "[ . 1 . 2]" 1 183 1 6 THR HB 1 9 ALA MB 1.800 . 4.560 3.914 3.800 4.150 . 0 0 "[ . 1 . 2]" 1 184 1 6 THR HB 1 9 ALA H 1.800 . 3.940 3.292 3.132 3.665 . 0 0 "[ . 1 . 2]" 1 185 1 6 THR HB 1 41 THR MG 1.800 . 5.500 5.010 4.629 5.521 0.021 9 0 "[ . 1 . 2]" 1 186 1 6 THR HB 1 42 PRO HD3 1.800 . 5.380 3.846 3.471 4.207 . 0 0 "[ . 1 . 2]" 1 187 1 6 THR HB 1 42 PRO HD2 1.800 . 5.380 5.010 4.544 5.391 0.011 2 0 "[ . 1 . 2]" 1 188 1 6 THR MG 1 7 SER H 1.800 . 5.230 3.654 3.568 3.921 . 0 0 "[ . 1 . 2]" 1 189 1 6 THR MG 1 8 GLU QB 1.800 . 4.770 4.385 4.147 4.660 . 0 0 "[ . 1 . 2]" 1 190 1 6 THR MG 1 8 GLU H 1.800 . 4.520 4.357 4.222 4.522 0.002 11 0 "[ . 1 . 2]" 1 191 1 6 THR MG 1 39 ILE MD 1.800 . 3.980 3.886 3.661 4.008 0.028 11 0 "[ . 1 . 2]" 1 192 1 6 THR MG 1 39 ILE MG 1.800 . 2.800 2.084 1.925 2.294 . 0 0 "[ . 1 . 2]" 1 193 1 6 THR MG 1 40 VAL HA 1.800 . 5.270 4.941 4.808 5.075 . 0 0 "[ . 1 . 2]" 1 194 1 6 THR MG 1 40 VAL H 1.800 . 3.750 3.774 3.647 3.818 0.068 18 0 "[ . 1 . 2]" 1 195 1 6 THR MG 1 41 THR HA 1.800 . 3.010 3.041 2.989 3.071 0.061 12 0 "[ . 1 . 2]" 1 196 1 6 THR MG 1 41 THR MG 1.800 . 5.000 3.025 2.793 3.335 . 0 0 "[ . 1 . 2]" 1 197 1 6 THR MG 1 41 THR H 1.800 . 5.000 4.801 4.717 4.882 . 0 0 "[ . 1 . 2]" 1 198 1 6 THR MG 1 42 PRO HD3 1.800 . 4.120 3.676 3.255 3.889 . 0 0 "[ . 1 . 2]" 1 199 1 6 THR MG 1 42 PRO HD2 1.800 . 4.120 4.069 3.866 4.166 0.046 8 0 "[ . 1 . 2]" 1 200 1 6 THR H 1 6 THR HB 1.800 . 3.690 3.605 3.588 3.644 . 0 0 "[ . 1 . 2]" 1 201 1 6 THR H 1 6 THR MG 1.800 . 2.860 2.366 2.115 2.481 . 0 0 "[ . 1 . 2]" 1 202 1 6 THR H 1 9 ALA MB 1.800 . 2.990 2.335 2.117 2.482 . 0 0 "[ . 1 . 2]" 1 203 1 6 THR H 1 10 LYS QG 1.800 . 4.560 4.162 3.801 4.317 . 0 0 "[ . 1 . 2]" 1 204 1 6 THR H 1 39 ILE QG 1.800 . 6.500 6.033 5.811 6.558 0.058 19 0 "[ . 1 . 2]" 1 205 1 6 THR H 1 39 ILE MG 1.800 . 6.510 3.558 3.331 3.744 . 0 0 "[ . 1 . 2]" 1 206 1 6 THR H 1 40 VAL MG1 1.800 . 5.250 4.955 4.675 5.193 . 0 0 "[ . 1 . 2]" 1 207 1 6 THR H 1 40 VAL MG2 1.800 . 4.500 2.690 2.588 2.827 . 0 0 "[ . 1 . 2]" 1 208 1 6 THR H 1 40 VAL H 1.800 . 4.110 3.734 3.575 3.999 . 0 0 "[ . 1 . 2]" 1 209 1 6 THR H 1 42 PRO QD 1.800 . 5.000 4.687 4.434 4.877 . 0 0 "[ . 1 . 2]" 1 210 1 7 SER HA 1 10 LYS QB 1.800 . 4.920 2.814 2.526 2.997 . 0 0 "[ . 1 . 2]" 1 211 1 7 SER HA 1 10 LYS QD 1.800 . 4.890 2.241 1.894 2.690 . 0 0 "[ . 1 . 2]" 1 212 1 7 SER HA 1 10 LYS QG 1.800 . 5.250 3.259 2.816 3.701 . 0 0 "[ . 1 . 2]" 1 213 1 7 SER HA 1 10 LYS H 1.800 . 5.200 3.536 3.369 3.654 . 0 0 "[ . 1 . 2]" 1 214 1 7 SER QB 1 8 GLU H 1.800 . 3.650 2.796 2.511 3.400 . 0 0 "[ . 1 . 2]" 1 215 1 7 SER QB 1 9 ALA H 1.800 . 5.500 4.854 4.673 5.203 . 0 0 "[ . 1 . 2]" 1 216 1 7 SER QB 1 10 LYS QD 1.800 . 3.970 3.874 3.627 4.030 0.060 10 0 "[ . 1 . 2]" 1 217 1 7 SER H 1 8 GLU QB 1.800 . 5.340 4.747 4.571 5.059 . 0 0 "[ . 1 . 2]" 1 218 1 8 GLU HA 1 8 GLU QG 1.800 . 3.150 2.538 2.360 2.954 . 0 0 "[ . 1 . 2]" 1 219 1 8 GLU HA 1 11 THR HB 1.800 . 3.660 2.903 2.716 3.206 . 0 0 "[ . 1 . 2]" 1 220 1 8 GLU HA 1 11 THR H 1.800 . 3.830 3.472 3.298 3.637 . 0 0 "[ . 1 . 2]" 1 221 1 8 GLU QB 1 42 PRO QD 1.800 . 4.030 2.378 2.108 3.103 . 0 0 "[ . 1 . 2]" 1 222 1 8 GLU QB 1 42 PRO QG 1.800 . 4.750 2.027 1.833 2.198 . 0 0 "[ . 1 . 2]" 1 223 1 8 GLU HB3 1 9 ALA MB 1.800 . 4.950 4.840 4.649 4.996 0.046 2 0 "[ . 1 . 2]" 1 224 1 8 GLU HB3 1 9 ALA H 1.800 . 4.100 3.673 3.492 3.815 . 0 0 "[ . 1 . 2]" 1 225 1 8 GLU HB3 1 42 PRO QD 1.800 . 4.590 3.504 3.085 4.240 . 0 0 "[ . 1 . 2]" 1 226 1 8 GLU HB2 1 9 ALA MB 1.800 . 4.950 3.966 3.711 4.164 . 0 0 "[ . 1 . 2]" 1 227 1 8 GLU HB2 1 9 ALA H 1.800 . 4.100 2.598 2.454 2.803 . 0 0 "[ . 1 . 2]" 1 228 1 8 GLU HB2 1 42 PRO QD 1.800 . 4.590 2.421 2.131 3.191 . 0 0 "[ . 1 . 2]" 1 229 1 8 GLU QG 1 9 ALA H 1.800 . 4.350 4.210 4.017 4.411 0.061 19 0 "[ . 1 . 2]" 1 230 1 8 GLU QG 1 11 THR HB 1.800 . 5.340 4.937 4.399 5.324 . 0 0 "[ . 1 . 2]" 1 231 1 8 GLU H 1 8 GLU HB3 1.800 . 3.810 3.589 3.568 3.620 . 0 0 "[ . 1 . 2]" 1 232 1 8 GLU H 1 8 GLU HB2 1.800 . 3.810 2.516 2.385 2.860 . 0 0 "[ . 1 . 2]" 1 233 1 8 GLU H 1 8 GLU QG 1.800 . 3.830 2.648 2.093 3.264 . 0 0 "[ . 1 . 2]" 1 234 1 8 GLU H 1 9 ALA MB 1.800 . 4.800 4.276 4.192 4.386 . 0 0 "[ . 1 . 2]" 1 235 1 8 GLU H 1 9 ALA H 1.800 . 3.470 2.594 2.495 2.711 . 0 0 "[ . 1 . 2]" 1 236 1 8 GLU H 1 10 LYS H 1.800 . 4.330 4.149 4.025 4.285 . 0 0 "[ . 1 . 2]" 1 237 1 8 GLU H 1 42 PRO QD 1.800 . 5.280 4.207 4.042 4.542 . 0 0 "[ . 1 . 2]" 1 238 1 9 ALA HA 1 12 LYS QB 1.800 . 3.470 2.401 2.204 2.579 . 0 0 "[ . 1 . 2]" 1 239 1 9 ALA HA 1 12 LYS QG 1.800 . 3.770 3.166 2.889 3.443 . 0 0 "[ . 1 . 2]" 1 240 1 9 ALA HA 1 12 LYS H 1.800 . 3.680 3.327 3.261 3.392 . 0 0 "[ . 1 . 2]" 1 241 1 9 ALA HA 1 40 VAL MG2 1.800 . 5.140 4.328 4.205 4.493 . 0 0 "[ . 1 . 2]" 1 242 1 9 ALA HA 1 42 PRO HA 1.800 . 3.600 2.260 1.963 2.657 . 0 0 "[ . 1 . 2]" 1 243 1 9 ALA HA 1 42 PRO HB3 1.800 . 4.780 2.943 2.472 3.379 . 0 0 "[ . 1 . 2]" 1 244 1 9 ALA HA 1 42 PRO HB2 1.800 . 4.780 4.330 3.953 4.761 . 0 0 "[ . 1 . 2]" 1 245 1 9 ALA HA 1 45 VAL MG2 1.800 . 3.410 2.318 2.130 2.462 . 0 0 "[ . 1 . 2]" 1 246 1 9 ALA MB 1 10 LYS H 1.800 . 3.050 2.467 2.378 2.559 . 0 0 "[ . 1 . 2]" 1 247 1 9 ALA MB 1 12 LYS QB 1.800 . 3.980 3.778 3.650 3.915 . 0 0 "[ . 1 . 2]" 1 248 1 9 ALA MB 1 13 LEU H 1.800 . 4.530 4.436 4.351 4.543 0.013 9 0 "[ . 1 . 2]" 1 249 1 9 ALA MB 1 28 ILE MG 1.800 . 4.500 3.796 3.688 3.990 . 0 0 "[ . 1 . 2]" 1 250 1 9 ALA MB 1 40 VAL MG2 1.800 . 3.070 2.086 1.996 2.198 . 0 0 "[ . 1 . 2]" 1 251 1 9 ALA MB 1 41 THR HA 1.800 . 3.280 3.069 2.872 3.319 0.039 18 0 "[ . 1 . 2]" 1 252 1 9 ALA MB 1 42 PRO HA 1.800 . 3.530 2.969 2.803 3.221 . 0 0 "[ . 1 . 2]" 1 253 1 9 ALA MB 1 42 PRO HD3 1.800 . 4.560 2.897 2.578 3.183 . 0 0 "[ . 1 . 2]" 1 254 1 9 ALA MB 1 42 PRO HD2 1.800 . 4.560 4.080 3.831 4.341 . 0 0 "[ . 1 . 2]" 1 255 1 9 ALA MB 1 42 PRO QG 1.800 . 5.000 4.260 3.124 4.507 . 0 0 "[ . 1 . 2]" 1 256 1 9 ALA MB 1 45 VAL HB 1.800 . 4.590 3.997 3.760 4.303 . 0 0 "[ . 1 . 2]" 1 257 1 9 ALA MB 1 45 VAL MG1 1.800 . 4.740 3.779 3.550 4.030 . 0 0 "[ . 1 . 2]" 1 258 1 9 ALA MB 1 45 VAL MG2 1.800 . 2.780 1.966 1.766 2.243 0.034 20 0 "[ . 1 . 2]" 1 259 1 9 ALA H 1 9 ALA MB 1.800 . 2.710 2.242 2.214 2.263 . 0 0 "[ . 1 . 2]" 1 260 1 9 ALA H 1 10 LYS QB 1.800 . 5.500 4.642 4.537 4.772 . 0 0 "[ . 1 . 2]" 1 261 1 9 ALA H 1 10 LYS H 1.800 . 2.900 2.688 2.585 2.768 . 0 0 "[ . 1 . 2]" 1 262 1 9 ALA H 1 40 VAL MG2 1.800 . 5.390 4.636 4.536 4.764 . 0 0 "[ . 1 . 2]" 1 263 1 9 ALA H 1 42 PRO HD3 1.800 . 4.930 3.059 2.857 3.447 . 0 0 "[ . 1 . 2]" 1 264 1 9 ALA H 1 42 PRO HG3 1.800 . 5.260 4.235 2.841 4.526 . 0 0 "[ . 1 . 2]" 1 265 1 10 LYS HA 1 10 LYS QD 1.800 . 4.250 4.135 3.976 4.250 . 0 0 "[ . 1 . 2]" 1 266 1 10 LYS HA 1 10 LYS QG 1.800 . 3.290 2.456 2.412 2.520 . 0 0 "[ . 1 . 2]" 1 267 1 10 LYS HA 1 12 LYS H 1.800 . 4.860 4.525 4.362 4.622 . 0 0 "[ . 1 . 2]" 1 268 1 10 LYS HA 1 13 LEU HB3 1.800 . 4.150 2.818 2.654 3.066 . 0 0 "[ . 1 . 2]" 1 269 1 10 LYS HA 1 13 LEU HB2 1.800 . 4.150 3.354 2.947 3.670 . 0 0 "[ . 1 . 2]" 1 270 1 10 LYS HA 1 13 LEU MD2 1.800 . 4.190 3.404 3.157 3.709 . 0 0 "[ . 1 . 2]" 1 271 1 10 LYS HA 1 13 LEU H 1.800 . 4.070 3.478 3.309 3.611 . 0 0 "[ . 1 . 2]" 1 272 1 10 LYS QB 1 11 THR H 1.800 . 3.320 2.490 2.304 2.626 . 0 0 "[ . 1 . 2]" 1 273 1 10 LYS QB 1 12 LYS H 1.800 . 5.500 4.697 4.541 4.812 . 0 0 "[ . 1 . 2]" 1 274 1 10 LYS HB3 1 10 LYS QD 1.800 . 3.620 2.741 2.381 3.045 . 0 0 "[ . 1 . 2]" 1 275 1 10 LYS HB2 1 10 LYS QD 1.800 . 3.620 2.357 2.279 2.442 . 0 0 "[ . 1 . 2]" 1 276 1 10 LYS HE3 1 10 LYS QG 1.800 . 4.060 2.692 2.341 3.319 . 0 0 "[ . 1 . 2]" 1 277 1 10 LYS QG 1 13 LEU MD2 1.800 . 5.500 4.198 3.840 4.604 . 0 0 "[ . 1 . 2]" 1 278 1 10 LYS H 1 10 LYS QB 1.800 . 2.940 2.469 2.405 2.546 . 0 0 "[ . 1 . 2]" 1 279 1 10 LYS H 1 10 LYS QD 1.800 . 5.000 3.633 3.400 3.891 . 0 0 "[ . 1 . 2]" 1 280 1 10 LYS H 1 10 LYS HE2 1.800 . 5.500 4.834 4.281 5.162 . 0 0 "[ . 1 . 2]" 1 281 1 10 LYS H 1 10 LYS HG3 1.800 . 4.020 2.133 2.060 2.299 . 0 0 "[ . 1 . 2]" 1 282 1 10 LYS H 1 10 LYS HG2 1.800 . 4.020 3.432 3.265 3.588 . 0 0 "[ . 1 . 2]" 1 283 1 10 LYS H 1 40 VAL MG2 1.800 . 5.480 4.756 4.588 4.943 . 0 0 "[ . 1 . 2]" 1 284 1 10 LYS H 1 45 VAL MG2 1.800 . 5.400 4.566 4.389 4.853 . 0 0 "[ . 1 . 2]" 1 285 1 11 THR HA 1 11 THR MG 1.800 . 3.110 2.357 2.302 2.386 . 0 0 "[ . 1 . 2]" 1 286 1 11 THR HA 1 14 LYS QB 1.800 . 3.710 2.898 2.630 3.181 . 0 0 "[ . 1 . 2]" 1 287 1 11 THR HA 1 14 LYS QD 1.800 . 3.790 2.372 1.980 2.853 . 0 0 "[ . 1 . 2]" 1 288 1 11 THR HA 1 14 LYS QE 1.800 . 4.800 3.680 2.909 4.351 . 0 0 "[ . 1 . 2]" 1 289 1 11 THR HA 1 14 LYS QG 1.800 . 3.900 3.331 2.929 3.780 . 0 0 "[ . 1 . 2]" 1 290 1 11 THR HA 1 14 LYS H 1.800 . 4.130 3.463 3.281 3.601 . 0 0 "[ . 1 . 2]" 1 291 1 11 THR HB 1 12 LYS QB 1.800 . 5.500 4.511 4.334 4.655 . 0 0 "[ . 1 . 2]" 1 292 1 11 THR HB 1 12 LYS QD 1.800 . 5.000 4.758 4.249 5.028 0.028 16 0 "[ . 1 . 2]" 1 293 1 11 THR HB 1 12 LYS QG 1.800 . 4.640 3.491 3.089 3.691 . 0 0 "[ . 1 . 2]" 1 294 1 11 THR HB 1 12 LYS H 1.800 . 3.330 2.561 2.407 2.716 . 0 0 "[ . 1 . 2]" 1 295 1 11 THR MG 1 12 LYS HA 1.800 . 4.120 3.673 3.556 3.805 . 0 0 "[ . 1 . 2]" 1 296 1 11 THR MG 1 12 LYS QG 1.800 . 4.910 4.052 3.818 4.256 . 0 0 "[ . 1 . 2]" 1 297 1 11 THR MG 1 12 LYS H 1.800 . 3.800 3.548 3.438 3.679 . 0 0 "[ . 1 . 2]" 1 298 1 11 THR MG 1 14 LYS H 1.800 . 4.950 4.599 4.408 4.799 . 0 0 "[ . 1 . 2]" 1 299 1 11 THR MG 1 15 ASN QB 1.800 . 5.340 4.581 3.592 5.268 . 0 0 "[ . 1 . 2]" 1 300 1 11 THR MG 1 15 ASN HD21 1.800 . 4.540 3.516 2.551 4.573 0.033 3 0 "[ . 1 . 2]" 1 301 1 11 THR MG 1 15 ASN HD22 1.800 . 4.960 3.186 2.165 5.035 0.075 12 0 "[ . 1 . 2]" 1 302 1 11 THR MG 1 15 ASN H 1.800 . 5.080 4.730 4.337 5.027 . 0 0 "[ . 1 . 2]" 1 303 1 11 THR H 1 11 THR HB 1.800 . 2.800 2.598 2.536 2.682 . 0 0 "[ . 1 . 2]" 1 304 1 11 THR H 1 11 THR MG 1.800 . 4.020 3.758 3.745 3.772 . 0 0 "[ . 1 . 2]" 1 305 1 11 THR H 1 12 LYS H 1.800 . 3.000 2.673 2.572 2.737 . 0 0 "[ . 1 . 2]" 1 306 1 12 LYS HA 1 12 LYS QD 1.800 . 3.030 2.073 1.912 2.210 . 0 0 "[ . 1 . 2]" 1 307 1 12 LYS HA 1 12 LYS QG 1.800 . 3.670 2.715 2.620 2.833 . 0 0 "[ . 1 . 2]" 1 308 1 12 LYS HA 1 14 LYS H 1.800 . 4.780 4.220 4.036 4.460 . 0 0 "[ . 1 . 2]" 1 309 1 12 LYS HA 1 15 ASN QB 1.800 . 3.720 2.781 2.258 3.183 . 0 0 "[ . 1 . 2]" 1 310 1 12 LYS HA 1 15 ASN HD21 1.800 . 4.070 2.780 1.978 4.097 0.027 12 0 "[ . 1 . 2]" 1 311 1 12 LYS HA 1 15 ASN HD22 1.800 . 5.340 3.774 2.482 5.329 . 0 0 "[ . 1 . 2]" 1 312 1 12 LYS HA 1 15 ASN H 1.800 . 3.910 3.408 3.209 3.576 . 0 0 "[ . 1 . 2]" 1 313 1 12 LYS HA 1 45 VAL MG1 1.800 . 4.560 3.865 3.747 4.045 . 0 0 "[ . 1 . 2]" 1 314 1 12 LYS QB 1 12 LYS QD 1.800 . 3.480 2.281 2.198 2.617 . 0 0 "[ . 1 . 2]" 1 315 1 12 LYS QB 1 13 LEU H 1.800 . 4.060 2.646 2.546 2.758 . 0 0 "[ . 1 . 2]" 1 316 1 12 LYS QB 1 16 ILE MD 1.800 . 4.980 4.098 3.638 4.337 . 0 0 "[ . 1 . 2]" 1 317 1 12 LYS HB3 1 12 LYS QE 1.800 . 4.940 3.735 2.083 3.955 . 0 0 "[ . 1 . 2]" 1 318 1 12 LYS HB3 1 15 ASN QB 1.800 . 5.340 4.227 3.919 4.542 . 0 0 "[ . 1 . 2]" 1 319 1 12 LYS HB3 1 45 VAL HB 1.800 . 3.770 2.683 2.213 3.172 . 0 0 "[ . 1 . 2]" 1 320 1 12 LYS HB3 1 45 VAL MG1 1.800 . 3.160 2.178 1.806 2.424 . 0 0 "[ . 1 . 2]" 1 321 1 12 LYS HB3 1 45 VAL MG2 1.800 . 4.450 3.672 3.220 4.006 . 0 0 "[ . 1 . 2]" 1 322 1 12 LYS HB2 1 12 LYS QE 1.800 . 4.940 4.150 3.413 4.259 . 0 0 "[ . 1 . 2]" 1 323 1 12 LYS HB2 1 15 ASN QB 1.800 . 5.340 5.205 4.744 5.383 0.043 13 0 "[ . 1 . 2]" 1 324 1 12 LYS HB2 1 45 VAL HB 1.800 . 3.770 2.824 2.536 3.172 . 0 0 "[ . 1 . 2]" 1 325 1 12 LYS HB2 1 45 VAL MG1 1.800 . 3.160 2.348 2.045 2.604 . 0 0 "[ . 1 . 2]" 1 326 1 12 LYS HB2 1 45 VAL MG2 1.800 . 5.000 2.906 2.665 3.198 . 0 0 "[ . 1 . 2]" 1 327 1 12 LYS QD 1 15 ASN HB3 1.800 . 4.850 4.488 3.329 4.895 0.045 10 0 "[ . 1 . 2]" 1 328 1 12 LYS QD 1 15 ASN HB2 1.800 . 4.850 3.682 3.263 4.024 . 0 0 "[ . 1 . 2]" 1 329 1 12 LYS QD 1 15 ASN HD21 1.800 . 4.220 3.387 2.055 4.319 0.099 8 0 "[ . 1 . 2]" 1 330 1 12 LYS QD 1 15 ASN HD22 1.800 . 5.200 4.022 2.460 5.029 . 0 0 "[ . 1 . 2]" 1 331 1 12 LYS QD 1 15 ASN H 1.800 . 5.220 4.955 4.608 5.229 0.009 2 0 "[ . 1 . 2]" 1 332 1 12 LYS QD 1 42 PRO QB 1.800 . 4.530 3.776 3.318 4.095 . 0 0 "[ . 1 . 2]" 1 333 1 12 LYS QD 1 45 VAL MG1 1.800 . 4.300 3.782 3.259 4.365 0.065 10 0 "[ . 1 . 2]" 1 334 1 12 LYS QE 1 42 PRO HA 1.800 . 4.730 4.371 3.791 4.758 0.028 12 0 "[ . 1 . 2]" 1 335 1 12 LYS QE 1 42 PRO HB3 1.800 . 3.870 3.527 3.051 3.891 0.021 7 0 "[ . 1 . 2]" 1 336 1 12 LYS QE 1 42 PRO HB2 1.800 . 3.870 2.805 2.329 3.873 0.003 8 0 "[ . 1 . 2]" 1 337 1 12 LYS QE 1 42 PRO QG 1.800 . 4.560 4.222 3.808 4.614 0.054 6 0 "[ . 1 . 2]" 1 338 1 12 LYS QE 1 46 GLU QB 1.800 . 5.000 3.270 2.109 3.909 . 0 0 "[ . 1 . 2]" 1 339 1 12 LYS QE 1 12 LYS QG 1.800 . 2.950 2.137 2.110 2.244 . 0 0 "[ . 1 . 2]" 1 340 1 12 LYS QG 1 42 PRO HA 1.800 . 3.630 2.709 2.447 3.032 . 0 0 "[ . 1 . 2]" 1 341 1 12 LYS QG 1 42 PRO QB 1.800 . 3.490 2.111 1.774 2.310 0.026 6 0 "[ . 1 . 2]" 1 342 1 12 LYS QG 1 45 VAL HB 1.800 . 3.770 3.196 2.908 3.608 . 0 0 "[ . 1 . 2]" 1 343 1 12 LYS QG 1 45 VAL MG1 1.800 . 4.060 3.631 3.480 3.866 . 0 0 "[ . 1 . 2]" 1 344 1 12 LYS QG 1 45 VAL MG2 1.800 . 4.320 3.869 3.630 4.220 . 0 0 "[ . 1 . 2]" 1 345 1 12 LYS QG 1 46 GLU QB 1.800 . 5.290 3.796 3.243 4.306 . 0 0 "[ . 1 . 2]" 1 346 1 12 LYS H 1 12 LYS HB3 1.800 . 3.670 3.561 3.520 3.595 . 0 0 "[ . 1 . 2]" 1 347 1 12 LYS H 1 12 LYS HB2 1.800 . 3.670 2.337 2.229 2.461 . 0 0 "[ . 1 . 2]" 1 348 1 12 LYS H 1 12 LYS QD 1.800 . 4.430 3.856 3.660 4.028 . 0 0 "[ . 1 . 2]" 1 349 1 12 LYS H 1 12 LYS QE 1.800 . 4.890 4.677 4.380 4.896 0.006 12 0 "[ . 1 . 2]" 1 350 1 12 LYS H 1 12 LYS QG 1.800 . 3.150 2.487 2.253 2.743 . 0 0 "[ . 1 . 2]" 1 351 1 12 LYS H 1 13 LEU H 1.800 . 3.060 2.673 2.550 2.801 . 0 0 "[ . 1 . 2]" 1 352 1 12 LYS H 1 45 VAL MG1 1.800 . 5.500 4.010 3.837 4.203 . 0 0 "[ . 1 . 2]" 1 353 1 12 LYS H 1 45 VAL MG2 1.800 . 5.400 4.472 4.345 4.636 . 0 0 "[ . 1 . 2]" 1 354 1 13 LEU HA 1 13 LEU MD1 1.800 . 2.850 2.045 1.984 2.092 . 0 0 "[ . 1 . 2]" 1 355 1 13 LEU HA 1 13 LEU MD2 1.800 . 3.900 3.878 3.864 3.895 . 0 0 "[ . 1 . 2]" 1 356 1 13 LEU HA 1 13 LEU HG 1.800 . 3.800 3.107 3.012 3.157 . 0 0 "[ . 1 . 2]" 1 357 1 13 LEU HA 1 15 ASN H 1.800 . 4.690 3.800 3.590 4.045 . 0 0 "[ . 1 . 2]" 1 358 1 13 LEU HA 1 16 ILE MD 1.800 . 3.360 2.376 2.162 2.857 . 0 0 "[ . 1 . 2]" 1 359 1 13 LEU HA 1 16 ILE QG 1.800 . 4.620 2.710 2.524 3.031 . 0 0 "[ . 1 . 2]" 1 360 1 13 LEU HA 1 16 ILE H 1.800 . 3.770 3.557 3.437 3.666 . 0 0 "[ . 1 . 2]" 1 361 1 13 LEU HA 1 28 ILE MD 1.800 . 4.790 3.688 3.477 3.872 . 0 0 "[ . 1 . 2]" 1 362 1 13 LEU HA 1 45 VAL HA 1.800 . 5.500 5.469 5.372 5.555 0.055 16 0 "[ . 1 . 2]" 1 363 1 13 LEU HA 1 45 VAL MG1 1.800 . 3.210 2.485 2.403 2.592 . 0 0 "[ . 1 . 2]" 1 364 1 13 LEU QB 1 14 LYS QE 1.800 . 4.550 4.486 4.270 4.627 0.077 16 0 "[ . 1 . 2]" 1 365 1 13 LEU QB 1 14 LYS H 1.800 . 3.890 2.651 2.476 2.763 . 0 0 "[ . 1 . 2]" 1 366 1 13 LEU QB 1 21 ARG QD 1.800 . 5.410 4.030 3.467 4.615 . 0 0 "[ . 1 . 2]" 1 367 1 13 LEU QB 1 45 VAL MG1 1.800 . 3.140 2.755 2.357 3.040 . 0 0 "[ . 1 . 2]" 1 368 1 13 LEU QB 1 45 VAL MG2 1.800 . 5.070 3.382 3.239 3.561 . 0 0 "[ . 1 . 2]" 1 369 1 13 LEU HB3 1 13 LEU MD1 1.800 . 3.370 3.199 3.194 3.205 . 0 0 "[ . 1 . 2]" 1 370 1 13 LEU HB3 1 13 LEU MD2 1.800 . 3.510 2.316 2.291 2.359 . 0 0 "[ . 1 . 2]" 1 371 1 13 LEU HB2 1 13 LEU MD1 1.800 . 3.370 2.366 2.337 2.393 . 0 0 "[ . 1 . 2]" 1 372 1 13 LEU HB2 1 13 LEU MD2 1.800 . 3.510 2.398 2.370 2.422 . 0 0 "[ . 1 . 2]" 1 373 1 13 LEU MD1 1 14 LYS H 1.800 . 4.620 4.553 4.486 4.646 0.026 14 0 "[ . 1 . 2]" 1 374 1 13 LEU MD1 1 16 ILE HB 1.800 . 3.880 3.036 2.709 3.305 . 0 0 "[ . 1 . 2]" 1 375 1 13 LEU MD1 1 16 ILE H 1.800 . 4.920 4.281 4.107 4.492 . 0 0 "[ . 1 . 2]" 1 376 1 13 LEU MD1 1 21 ARG HA 1.800 . 3.830 3.333 2.929 3.556 . 0 0 "[ . 1 . 2]" 1 377 1 13 LEU MD1 1 21 ARG QB 1.800 . 4.730 3.773 2.779 4.275 . 0 0 "[ . 1 . 2]" 1 378 1 13 LEU MD1 1 21 ARG QD 1.800 . 4.050 3.170 2.615 3.599 . 0 0 "[ . 1 . 2]" 1 379 1 13 LEU MD1 1 22 SER HA 1.800 . 5.500 4.570 4.041 5.082 . 0 0 "[ . 1 . 2]" 1 380 1 13 LEU MD1 1 24 ALA MB 1.800 . 3.620 3.027 2.698 3.425 . 0 0 "[ . 1 . 2]" 1 381 1 13 LEU MD1 1 24 ALA H 1.800 . 5.270 4.820 4.519 5.170 . 0 0 "[ . 1 . 2]" 1 382 1 13 LEU MD1 1 25 LYS HA 1.800 . 3.990 2.987 2.684 3.245 . 0 0 "[ . 1 . 2]" 1 383 1 13 LEU MD1 1 25 LYS QB 1.800 . 3.280 2.356 1.842 2.684 . 0 0 "[ . 1 . 2]" 1 384 1 13 LEU MD1 1 25 LYS HE2 1.800 . 6.150 5.140 4.684 5.423 . 0 0 "[ . 1 . 2]" 1 385 1 13 LEU MD1 1 25 LYS H 1.800 . 3.740 3.252 2.984 3.625 . 0 0 "[ . 1 . 2]" 1 386 1 13 LEU MD1 1 28 ILE MD 1.800 . 3.440 2.189 2.037 2.388 . 0 0 "[ . 1 . 2]" 1 387 1 13 LEU MD1 1 45 VAL MG2 1.800 . 4.660 3.758 3.555 3.901 . 0 0 "[ . 1 . 2]" 1 388 1 13 LEU MD2 1 14 LYS QE 1.800 . 5.080 4.762 4.317 5.122 0.042 3 0 "[ . 1 . 2]" 1 389 1 13 LEU MD2 1 14 LYS QG 1.800 . 4.350 4.033 3.692 4.322 . 0 0 "[ . 1 . 2]" 1 390 1 13 LEU MD2 1 14 LYS H 1.800 . 4.730 4.446 4.199 4.597 . 0 0 "[ . 1 . 2]" 1 391 1 13 LEU MD2 1 21 ARG HA 1.800 . 5.500 5.257 4.725 5.517 0.017 19 0 "[ . 1 . 2]" 1 392 1 13 LEU MD2 1 21 ARG QD 1.800 . 4.150 3.451 2.758 4.041 . 0 0 "[ . 1 . 2]" 1 393 1 13 LEU MD2 1 25 LYS HD3 1.800 . 4.640 4.008 2.701 4.530 . 0 0 "[ . 1 . 2]" 1 394 1 13 LEU MD2 1 25 LYS HD2 1.800 . 4.640 2.588 1.914 3.033 . 0 0 "[ . 1 . 2]" 1 395 1 13 LEU MD2 1 25 LYS HE3 1.800 . 4.310 4.192 2.886 4.462 0.152 14 0 "[ . 1 . 2]" 1 396 1 13 LEU MD2 1 25 LYS HE2 1.800 . 4.380 3.771 3.274 4.115 . 0 0 "[ . 1 . 2]" 1 397 1 13 LEU MD2 1 25 LYS QG 1.800 . 3.670 3.222 2.720 3.579 . 0 0 "[ . 1 . 2]" 1 398 1 13 LEU MD2 1 25 LYS H 1.800 . 5.500 4.823 4.560 5.269 . 0 0 "[ . 1 . 2]" 1 399 1 13 LEU MD2 1 28 ILE MD 1.800 . 4.350 3.665 3.449 3.869 . 0 0 "[ . 1 . 2]" 1 400 1 13 LEU MD2 1 40 VAL MG2 1.800 . 4.830 4.813 4.680 4.883 0.053 2 0 "[ . 1 . 2]" 1 401 1 13 LEU MD2 1 45 VAL MG2 1.800 . 4.710 4.374 4.229 4.528 . 0 0 "[ . 1 . 2]" 1 402 1 13 LEU HG 1 14 LYS H 1.800 . 4.780 3.985 3.762 4.206 . 0 0 "[ . 1 . 2]" 1 403 1 13 LEU HG 1 21 ARG QD 1.800 . 3.790 2.372 1.786 2.980 0.014 14 0 "[ . 1 . 2]" 1 404 1 13 LEU H 1 13 LEU HB3 1.800 . 2.920 2.544 2.494 2.627 . 0 0 "[ . 1 . 2]" 1 405 1 13 LEU H 1 13 LEU HB2 1.800 . 2.920 2.476 2.427 2.534 . 0 0 "[ . 1 . 2]" 1 406 1 13 LEU H 1 13 LEU MD1 1.800 . 4.460 4.051 3.989 4.102 . 0 0 "[ . 1 . 2]" 1 407 1 13 LEU H 1 13 LEU MD2 1.800 . 4.280 4.255 4.220 4.290 0.010 11 0 "[ . 1 . 2]" 1 408 1 13 LEU H 1 13 LEU HG 1.800 . 4.620 4.500 4.475 4.532 . 0 0 "[ . 1 . 2]" 1 409 1 13 LEU H 1 14 LYS HA 1.800 . 5.500 5.262 5.218 5.305 . 0 0 "[ . 1 . 2]" 1 410 1 13 LEU H 1 14 LYS H 1.800 . 3.110 2.637 2.580 2.686 . 0 0 "[ . 1 . 2]" 1 411 1 13 LEU H 1 15 ASN H 1.800 . 4.470 3.943 3.717 4.031 . 0 0 "[ . 1 . 2]" 1 412 1 13 LEU H 1 16 ILE MD 1.800 . 5.820 4.636 4.363 4.930 . 0 0 "[ . 1 . 2]" 1 413 1 13 LEU H 1 45 VAL HB 1.800 . 5.050 4.731 4.473 5.054 0.004 10 0 "[ . 1 . 2]" 1 414 1 13 LEU H 1 45 VAL MG1 1.800 . 3.440 2.620 2.421 2.820 . 0 0 "[ . 1 . 2]" 1 415 1 13 LEU H 1 45 VAL MG2 1.800 . 3.950 3.713 3.532 3.904 . 0 0 "[ . 1 . 2]" 1 416 1 14 LYS HA 1 14 LYS QD 1.800 . 4.230 4.040 4.006 4.077 . 0 0 "[ . 1 . 2]" 1 417 1 14 LYS HA 1 14 LYS QG 1.800 . 3.330 2.448 2.370 2.506 . 0 0 "[ . 1 . 2]" 1 418 1 14 LYS HA 1 16 ILE H 1.800 . 4.220 3.650 3.437 3.869 . 0 0 "[ . 1 . 2]" 1 419 1 14 LYS HA 1 21 ARG QD 1.800 . 3.740 2.848 2.336 3.552 . 0 0 "[ . 1 . 2]" 1 420 1 14 LYS QB 1 14 LYS QE 1.800 . 4.490 3.559 3.519 3.657 . 0 0 "[ . 1 . 2]" 1 421 1 14 LYS QB 1 15 ASN H 1.800 . 3.520 3.088 2.831 3.314 . 0 0 "[ . 1 . 2]" 1 422 1 14 LYS QD 1 15 ASN H 1.800 . 5.500 5.094 4.792 5.322 . 0 0 "[ . 1 . 2]" 1 423 1 14 LYS QE 1 14 LYS QG 1.800 . 3.490 2.179 2.119 2.315 . 0 0 "[ . 1 . 2]" 1 424 1 14 LYS QG 1 15 ASN H 1.800 . 4.700 4.246 4.107 4.397 . 0 0 "[ . 1 . 2]" 1 425 1 14 LYS H 1 14 LYS QB 1.800 . 2.840 2.413 2.337 2.490 . 0 0 "[ . 1 . 2]" 1 426 1 14 LYS H 1 14 LYS QD 1.800 . 4.380 3.682 3.561 3.783 . 0 0 "[ . 1 . 2]" 1 427 1 14 LYS H 1 14 LYS QE 1.800 . 4.900 4.308 4.080 4.663 . 0 0 "[ . 1 . 2]" 1 428 1 14 LYS H 1 14 LYS QG 1.800 . 3.250 2.253 2.068 2.446 . 0 0 "[ . 1 . 2]" 1 429 1 14 LYS H 1 15 ASN QB 1.800 . 4.860 4.475 4.192 4.743 . 0 0 "[ . 1 . 2]" 1 430 1 14 LYS H 1 45 VAL MG1 1.800 . 5.280 4.581 4.418 4.718 . 0 0 "[ . 1 . 2]" 1 431 1 15 ASN QB 1 16 ILE H 1.800 . 3.590 3.146 2.846 3.442 . 0 0 "[ . 1 . 2]" 1 432 1 15 ASN QB 1 45 VAL MG1 1.800 . 5.140 4.568 4.175 4.983 . 0 0 "[ . 1 . 2]" 1 433 1 15 ASN H 1 15 ASN QB 1.800 . 2.790 2.314 2.208 2.487 . 0 0 "[ . 1 . 2]" 1 434 1 15 ASN H 1 16 ILE MD 1.800 . 5.310 4.795 4.596 5.161 . 0 0 "[ . 1 . 2]" 1 435 1 15 ASN H 1 16 ILE QG 1.800 . 4.970 3.529 3.327 3.767 . 0 0 "[ . 1 . 2]" 1 436 1 15 ASN H 1 16 ILE H 1.800 . 2.810 2.352 2.241 2.483 . 0 0 "[ . 1 . 2]" 1 437 1 15 ASN H 1 45 VAL MG1 1.800 . 4.980 4.708 4.517 4.905 . 0 0 "[ . 1 . 2]" 1 438 1 16 ILE HA 1 16 ILE MD 1.800 . 4.420 3.836 3.701 3.871 . 0 0 "[ . 1 . 2]" 1 439 1 16 ILE HA 1 16 ILE HG13 1.800 . 3.720 3.089 3.010 3.194 . 0 0 "[ . 1 . 2]" 1 440 1 16 ILE HA 1 16 ILE HG12 1.800 . 3.720 2.546 2.374 2.624 . 0 0 "[ . 1 . 2]" 1 441 1 16 ILE HA 1 16 ILE MG 1.800 . 3.350 2.390 2.322 2.456 . 0 0 "[ . 1 . 2]" 1 442 1 16 ILE HA 1 17 PRO HD3 1.800 . 3.160 2.157 1.964 2.561 . 0 0 "[ . 1 . 2]" 1 443 1 16 ILE HA 1 17 PRO HD2 1.800 . 3.160 2.337 1.948 2.606 . 0 0 "[ . 1 . 2]" 1 444 1 16 ILE HB 1 16 ILE MD 1.800 . 3.290 2.450 2.420 2.586 . 0 0 "[ . 1 . 2]" 1 445 1 16 ILE HB 1 21 ARG HA 1.800 . 4.190 3.073 2.722 3.639 . 0 0 "[ . 1 . 2]" 1 446 1 16 ILE HB 1 21 ARG QG 1.800 . 3.530 2.709 1.890 3.560 0.030 9 0 "[ . 1 . 2]" 1 447 1 16 ILE MD 1 21 ARG HA 1.800 . 4.270 3.516 2.986 3.965 . 0 0 "[ . 1 . 2]" 1 448 1 16 ILE MD 1 24 ALA MB 1.800 . 2.960 2.098 1.936 2.399 . 0 0 "[ . 1 . 2]" 1 449 1 16 ILE MD 1 24 ALA H 1.800 . 5.170 4.599 4.424 4.996 . 0 0 "[ . 1 . 2]" 1 450 1 16 ILE MD 1 25 LYS H 1.800 . 5.400 4.378 4.058 5.067 . 0 0 "[ . 1 . 2]" 1 451 1 16 ILE MD 1 45 VAL HA 1.800 . 4.560 3.861 3.634 4.105 . 0 0 "[ . 1 . 2]" 1 452 1 16 ILE MD 1 45 VAL HB 1.800 . 4.740 4.536 4.236 4.730 . 0 0 "[ . 1 . 2]" 1 453 1 16 ILE MD 1 45 VAL MG1 1.800 . 2.680 2.208 1.941 2.429 . 0 0 "[ . 1 . 2]" 1 454 1 16 ILE MD 1 45 VAL MG2 1.800 . 4.430 4.242 4.006 4.454 0.024 8 0 "[ . 1 . 2]" 1 455 1 16 ILE MD 1 46 GLU HA 1.800 . 5.550 4.172 3.649 4.704 . 0 0 "[ . 1 . 2]" 1 456 1 16 ILE MD 1 49 ARG HA 1.800 . 4.390 3.454 3.153 3.654 . 0 0 "[ . 1 . 2]" 1 457 1 16 ILE MD 1 49 ARG QB 1.800 . 3.970 2.410 2.056 2.817 . 0 0 "[ . 1 . 2]" 1 458 1 16 ILE MD 1 49 ARG HD3 1.800 . 5.220 4.145 2.784 5.229 0.009 6 0 "[ . 1 . 2]" 1 459 1 16 ILE MD 1 49 ARG HD2 1.800 . 5.220 3.959 2.379 5.059 . 0 0 "[ . 1 . 2]" 1 460 1 16 ILE MD 1 49 ARG QG 1.800 . 3.480 3.390 2.934 3.600 0.120 17 0 "[ . 1 . 2]" 1 461 1 16 ILE MD 1 49 ARG H 1.800 . 4.340 3.727 3.345 3.947 . 0 0 "[ . 1 . 2]" 1 462 1 16 ILE QG 1 17 PRO HD3 1.800 . 4.700 4.209 3.846 4.623 . 0 0 "[ . 1 . 2]" 1 463 1 16 ILE QG 1 17 PRO HD2 1.800 . 4.700 3.839 3.411 4.104 . 0 0 "[ . 1 . 2]" 1 464 1 16 ILE QG 1 21 ARG QD 1.800 . 5.060 4.701 4.226 5.140 0.080 17 0 "[ . 1 . 2]" 1 465 1 16 ILE QG 1 49 ARG HD3 1.800 . 5.500 3.130 1.754 4.554 0.046 5 0 "[ . 1 . 2]" 1 466 1 16 ILE QG 1 49 ARG HD2 1.800 . 5.500 2.824 1.866 4.315 . 0 0 "[ . 1 . 2]" 1 467 1 16 ILE HG13 1 16 ILE MG 1.800 . 4.020 3.205 3.198 3.209 . 0 0 "[ . 1 . 2]" 1 468 1 16 ILE HG12 1 16 ILE MG 1.800 . 4.020 2.408 2.367 2.547 . 0 0 "[ . 1 . 2]" 1 469 1 16 ILE MG 1 17 PRO HA 1.800 . 5.020 4.274 4.163 4.350 . 0 0 "[ . 1 . 2]" 1 470 1 16 ILE MG 1 17 PRO HD3 1.800 . 3.570 3.251 2.988 3.516 . 0 0 "[ . 1 . 2]" 1 471 1 16 ILE MG 1 17 PRO HD2 1.800 . 3.570 2.081 1.934 2.325 . 0 0 "[ . 1 . 2]" 1 472 1 16 ILE MG 1 20 ALA MB 1.800 . 3.060 2.657 2.275 2.953 . 0 0 "[ . 1 . 2]" 1 473 1 16 ILE MG 1 20 ALA H 1.800 . 4.780 3.689 3.431 4.009 . 0 0 "[ . 1 . 2]" 1 474 1 16 ILE MG 1 21 ARG HA 1.800 . 3.350 2.356 2.003 2.847 . 0 0 "[ . 1 . 2]" 1 475 1 16 ILE MG 1 21 ARG QB 1.800 . 4.980 3.333 2.676 4.249 . 0 0 "[ . 1 . 2]" 1 476 1 16 ILE MG 1 21 ARG QD 1.800 . 5.090 4.063 3.243 4.743 . 0 0 "[ . 1 . 2]" 1 477 1 16 ILE MG 1 21 ARG QG 1.800 . 3.920 3.211 2.311 3.928 0.008 17 0 "[ . 1 . 2]" 1 478 1 16 ILE MG 1 21 ARG H 1.800 . 4.470 3.437 3.011 3.770 . 0 0 "[ . 1 . 2]" 1 479 1 16 ILE MG 1 24 ALA MB 1.800 . 3.370 2.244 2.033 2.454 . 0 0 "[ . 1 . 2]" 1 480 1 16 ILE MG 1 24 ALA H 1.800 . 5.380 3.933 3.692 4.308 . 0 0 "[ . 1 . 2]" 1 481 1 16 ILE MG 1 25 LYS H 1.800 . 5.090 4.682 4.433 5.103 0.013 17 0 "[ . 1 . 2]" 1 482 1 16 ILE MG 1 49 ARG QB 1.800 . 4.300 3.705 3.387 4.312 0.012 7 0 "[ . 1 . 2]" 1 483 1 16 ILE H 1 16 ILE HB 1.800 . 2.690 2.527 2.439 2.626 . 0 0 "[ . 1 . 2]" 1 484 1 16 ILE H 1 16 ILE MD 1.800 . 4.270 3.693 3.515 3.961 . 0 0 "[ . 1 . 2]" 1 485 1 16 ILE H 1 16 ILE HG13 1.800 . 3.850 2.277 2.023 2.513 . 0 0 "[ . 1 . 2]" 1 486 1 16 ILE H 1 16 ILE HG12 1.800 . 3.850 3.480 3.314 3.629 . 0 0 "[ . 1 . 2]" 1 487 1 16 ILE H 1 16 ILE MG 1.800 . 4.070 3.786 3.761 3.814 . 0 0 "[ . 1 . 2]" 1 488 1 16 ILE H 1 21 ARG QD 1.800 . 4.670 3.881 3.261 4.736 0.066 19 0 "[ . 1 . 2]" 1 489 1 16 ILE H 1 21 ARG QG 1.800 . 4.850 4.317 3.431 4.873 0.023 17 0 "[ . 1 . 2]" 1 490 1 16 ILE H 1 45 VAL MG1 1.800 . 4.830 4.823 4.513 4.919 0.089 9 0 "[ . 1 . 2]" 1 491 1 17 PRO HA 1 18 PHE H 1.800 . 3.170 2.183 2.146 2.235 . 0 0 "[ . 1 . 2]" 1 492 1 17 PRO HA 1 20 ALA MB 1.800 . 5.280 5.188 4.767 5.375 0.095 13 0 "[ . 1 . 2]" 1 493 1 17 PRO HA 1 20 ALA H 1.800 . 5.020 4.718 4.610 4.787 . 0 0 "[ . 1 . 2]" 1 494 1 17 PRO QB 1 18 PHE H 1.800 . 4.040 3.140 2.919 3.295 . 0 0 "[ . 1 . 2]" 1 495 1 17 PRO QB 1 19 PHE QD 1.800 . 4.360 3.833 2.641 4.440 0.080 20 0 "[ . 1 . 2]" 1 496 1 17 PRO QB 1 19 PHE H 1.800 . 5.080 3.045 2.559 3.434 . 0 0 "[ . 1 . 2]" 1 497 1 17 PRO QB 1 20 ALA MB 1.800 . 4.280 3.099 2.372 3.797 . 0 0 "[ . 1 . 2]" 1 498 1 17 PRO HB3 1 20 ALA H 1.800 . 4.990 4.404 3.927 4.964 . 0 0 "[ . 1 . 2]" 1 499 1 17 PRO HB2 1 20 ALA H 1.800 . 4.990 2.935 2.475 3.344 . 0 0 "[ . 1 . 2]" 1 500 1 17 PRO HD3 1 20 ALA MB 1.800 . 4.930 4.841 4.468 4.982 0.052 5 0 "[ . 1 . 2]" 1 501 1 17 PRO HD3 1 49 ARG QG 1.800 . 5.460 4.379 3.662 5.510 0.050 8 0 "[ . 1 . 2]" 1 502 1 17 PRO HD2 1 20 ALA MB 1.800 . 4.930 3.398 2.944 3.831 . 0 0 "[ . 1 . 2]" 1 503 1 17 PRO HD2 1 49 ARG QG 1.800 . 5.460 3.904 3.192 4.997 . 0 0 "[ . 1 . 2]" 1 504 1 17 PRO QG 1 18 PHE H 1.800 . 5.000 4.629 4.511 4.733 . 0 0 "[ . 1 . 2]" 1 505 1 17 PRO QG 1 20 ALA MB 1.800 . 4.120 3.378 2.311 3.892 . 0 0 "[ . 1 . 2]" 1 506 1 17 PRO QG 1 20 ALA H 1.800 . 5.000 4.356 3.199 4.914 . 0 0 "[ . 1 . 2]" 1 507 1 18 PHE HA 1 20 ALA H 1.800 . 5.430 3.986 3.721 4.697 . 0 0 "[ . 1 . 2]" 1 508 1 18 PHE HA 1 21 ARG HB3 1.800 . 4.210 2.987 1.888 4.015 . 0 0 "[ . 1 . 2]" 1 509 1 18 PHE HA 1 21 ARG HB2 1.800 . 4.210 2.527 2.040 2.978 . 0 0 "[ . 1 . 2]" 1 510 1 18 PHE HA 1 21 ARG QG 1.800 . 4.400 3.344 1.776 4.415 0.024 16 0 "[ . 1 . 2]" 1 511 1 18 PHE HA 1 21 ARG H 1.800 . 4.930 3.207 2.920 3.704 . 0 0 "[ . 1 . 2]" 1 512 1 18 PHE QB 1 19 PHE H 1.800 . 4.320 2.929 2.471 3.600 . 0 0 "[ . 1 . 2]" 1 513 1 18 PHE QB 1 21 ARG HB3 1.800 . 5.480 4.730 3.517 5.570 0.090 4 0 "[ . 1 . 2]" 1 514 1 18 PHE QB 1 21 ARG HB2 1.800 . 5.480 4.394 3.915 4.907 . 0 0 "[ . 1 . 2]" 1 515 1 18 PHE QD 1 19 PHE HA 1.800 . 5.370 3.370 3.160 3.692 . 0 0 "[ . 1 . 2]" 1 516 1 18 PHE QD 1 19 PHE H 1.800 . 3.870 3.408 3.144 3.603 . 0 0 "[ . 1 . 2]" 1 517 1 18 PHE QE 1 19 PHE HA 1.800 . 4.480 4.396 4.022 4.517 0.037 6 0 "[ . 1 . 2]" 1 518 1 18 PHE H 1 18 PHE HB3 1.800 . 3.690 2.483 2.150 2.592 . 0 0 "[ . 1 . 2]" 1 519 1 18 PHE H 1 18 PHE HB2 1.800 . 3.690 2.875 2.444 3.612 . 0 0 "[ . 1 . 2]" 1 520 1 18 PHE H 1 19 PHE H 1.800 . 5.340 2.812 2.669 2.962 . 0 0 "[ . 1 . 2]" 1 521 1 18 PHE H 1 20 ALA H 1.800 . 4.650 4.295 4.154 4.537 . 0 0 "[ . 1 . 2]" 1 522 1 19 PHE HA 1 19 PHE QD 1.800 . 5.500 2.763 2.473 3.745 . 0 0 "[ . 1 . 2]" 1 523 1 19 PHE HA 1 20 ALA MB 1.800 . 5.070 4.832 4.688 5.007 . 0 0 "[ . 1 . 2]" 1 524 1 19 PHE HA 1 21 ARG H 1.800 . 4.610 4.182 3.933 4.513 . 0 0 "[ . 1 . 2]" 1 525 1 19 PHE QB 1 20 ALA MB 1.800 . 5.390 3.578 3.364 4.278 . 0 0 "[ . 1 . 2]" 1 526 1 19 PHE HB3 1 20 ALA H 1.800 . 5.250 3.345 2.620 4.266 . 0 0 "[ . 1 . 2]" 1 527 1 19 PHE HB2 1 20 ALA H 1.800 . 5.250 3.724 2.954 4.173 . 0 0 "[ . 1 . 2]" 1 528 1 19 PHE H 1 20 ALA H 1.800 . 3.830 2.676 2.570 2.753 . 0 0 "[ . 1 . 2]" 1 529 1 19 PHE H 1 21 ARG H 1.800 . 4.820 3.917 3.700 4.130 . 0 0 "[ . 1 . 2]" 1 530 1 20 ALA HA 1 22 SER QB 1.800 . 5.500 5.040 4.603 5.541 0.041 15 0 "[ . 1 . 2]" 1 531 1 20 ALA HA 1 23 GLN QB 1.800 . 3.950 2.600 2.275 2.907 . 0 0 "[ . 1 . 2]" 1 532 1 20 ALA HA 1 23 GLN QG 1.800 . 4.560 4.341 3.865 4.634 0.074 19 0 "[ . 1 . 2]" 1 533 1 20 ALA HA 1 23 GLN H 1.800 . 4.470 3.307 2.976 3.498 . 0 0 "[ . 1 . 2]" 1 534 1 20 ALA MB 1 21 ARG H 1.800 . 3.790 3.339 3.098 3.504 . 0 0 "[ . 1 . 2]" 1 535 1 20 ALA MB 1 23 GLN QE 1.800 . 5.340 4.388 2.718 5.417 0.077 1 0 "[ . 1 . 2]" 1 536 1 20 ALA MB 1 23 GLN H 1.800 . 5.420 4.348 4.167 4.562 . 0 0 "[ . 1 . 2]" 1 537 1 20 ALA MB 1 24 ALA HA 1.800 . 5.500 4.972 4.555 5.301 . 0 0 "[ . 1 . 2]" 1 538 1 20 ALA MB 1 24 ALA MB 1.800 . 3.780 3.337 2.874 3.670 . 0 0 "[ . 1 . 2]" 1 539 1 20 ALA MB 1 24 ALA H 1.800 . 4.150 3.716 3.320 4.101 . 0 0 "[ . 1 . 2]" 1 540 1 20 ALA MB 1 52 PHE HB3 1.800 . 5.110 3.904 3.326 4.563 . 0 0 "[ . 1 . 2]" 1 541 1 20 ALA MB 1 52 PHE HB2 1.800 . 5.110 4.235 3.627 4.886 . 0 0 "[ . 1 . 2]" 1 542 1 20 ALA H 1 20 ALA MB 1.800 . 3.480 2.435 2.292 2.538 . 0 0 "[ . 1 . 2]" 1 543 1 20 ALA H 1 21 ARG HA 1.800 . 5.450 4.427 4.174 4.824 . 0 0 "[ . 1 . 2]" 1 544 1 20 ALA H 1 21 ARG H 1.800 . 5.000 2.142 1.964 2.389 . 0 0 "[ . 1 . 2]" 1 545 1 21 ARG HA 1 21 ARG QD 1.800 . 4.370 3.624 2.127 4.203 . 0 0 "[ . 1 . 2]" 1 546 1 21 ARG HA 1 21 ARG QG 1.800 . 3.510 2.380 2.096 2.541 . 0 0 "[ . 1 . 2]" 1 547 1 21 ARG HA 1 24 ALA MB 1.800 . 3.400 2.688 2.353 3.379 . 0 0 "[ . 1 . 2]" 1 548 1 21 ARG HA 1 24 ALA H 1.800 . 4.780 3.501 3.201 4.005 . 0 0 "[ . 1 . 2]" 1 549 1 21 ARG HA 1 25 LYS H 1.800 . 4.390 3.844 3.503 4.215 . 0 0 "[ . 1 . 2]" 1 550 1 21 ARG QB 1 23 GLN H 1.800 . 5.240 4.621 4.361 4.834 . 0 0 "[ . 1 . 2]" 1 551 1 21 ARG HB3 1 21 ARG QD 1.800 . 3.690 2.736 2.226 3.251 . 0 0 "[ . 1 . 2]" 1 552 1 21 ARG HB3 1 22 SER H 1.800 . 4.590 2.789 2.361 3.452 . 0 0 "[ . 1 . 2]" 1 553 1 21 ARG HB2 1 21 ARG QD 1.800 . 3.690 2.792 2.296 3.571 . 0 0 "[ . 1 . 2]" 1 554 1 21 ARG HB2 1 22 SER H 1.800 . 4.590 3.471 2.523 4.041 . 0 0 "[ . 1 . 2]" 1 555 1 21 ARG H 1 21 ARG HB3 1.800 . 3.970 2.874 2.368 3.596 . 0 0 "[ . 1 . 2]" 1 556 1 21 ARG H 1 21 ARG HB2 1.800 . 3.970 2.451 2.095 2.767 . 0 0 "[ . 1 . 2]" 1 557 1 21 ARG H 1 21 ARG QD 1.800 . 4.930 4.596 4.178 4.891 . 0 0 "[ . 1 . 2]" 1 558 1 21 ARG H 1 21 ARG QG 1.800 . 4.540 3.565 2.527 3.986 . 0 0 "[ . 1 . 2]" 1 559 1 21 ARG H 1 22 SER H 1.800 . 4.280 2.715 2.601 3.007 . 0 0 "[ . 1 . 2]" 1 560 1 21 ARG H 1 24 ALA MB 1.800 . 5.110 4.632 4.353 4.939 . 0 0 "[ . 1 . 2]" 1 561 1 21 ARG H 1 24 ALA H 1.800 . 5.200 4.565 4.415 4.730 . 0 0 "[ . 1 . 2]" 1 562 1 22 SER HA 1 25 LYS HB3 1.800 . 4.140 2.675 1.904 3.033 . 0 0 "[ . 1 . 2]" 1 563 1 22 SER HA 1 25 LYS HB2 1.800 . 4.140 3.420 3.083 4.043 . 0 0 "[ . 1 . 2]" 1 564 1 22 SER HA 1 25 LYS QD 1.800 . 4.910 3.394 2.762 3.866 . 0 0 "[ . 1 . 2]" 1 565 1 22 SER HA 1 25 LYS H 1.800 . 4.140 3.536 3.219 3.793 . 0 0 "[ . 1 . 2]" 1 566 1 22 SER HA 1 26 ALA MB 1.800 . 5.110 4.915 4.647 5.150 0.040 10 0 "[ . 1 . 2]" 1 567 1 22 SER HA 1 26 ALA H 1.800 . 4.520 4.195 3.831 4.424 . 0 0 "[ . 1 . 2]" 1 568 1 22 SER QB 1 23 GLN QB 1.800 . 4.790 3.937 3.691 4.497 . 0 0 "[ . 1 . 2]" 1 569 1 22 SER QB 1 23 GLN H 1.800 . 3.760 2.677 2.429 3.244 . 0 0 "[ . 1 . 2]" 1 570 1 22 SER QB 1 25 LYS H 1.800 . 5.500 5.008 4.761 5.328 . 0 0 "[ . 1 . 2]" 1 571 1 22 SER H 1 22 SER QB 1.800 . 3.360 2.467 2.238 2.755 . 0 0 "[ . 1 . 2]" 1 572 1 22 SER H 1 23 GLN QB 1.800 . 4.930 4.300 4.132 4.421 . 0 0 "[ . 1 . 2]" 1 573 1 22 SER H 1 23 GLN H 1.800 . 3.900 2.579 2.427 2.716 . 0 0 "[ . 1 . 2]" 1 574 1 23 GLN HA 1 23 GLN QE 1.800 . 5.200 3.796 1.746 4.848 0.054 5 0 "[ . 1 . 2]" 1 575 1 23 GLN HA 1 23 GLN QG 1.800 . 3.160 2.661 2.388 3.028 . 0 0 "[ . 1 . 2]" 1 576 1 23 GLN HA 1 26 ALA MB 1.800 . 5.000 2.968 2.806 3.133 . 0 0 "[ . 1 . 2]" 1 577 1 23 GLN HA 1 26 ALA H 1.800 . 4.100 3.650 3.500 3.936 . 0 0 "[ . 1 . 2]" 1 578 1 23 GLN QB 1 24 ALA MB 1.800 . 4.020 3.805 3.666 3.969 . 0 0 "[ . 1 . 2]" 1 579 1 23 GLN QB 1 24 ALA H 1.800 . 3.040 2.463 2.307 2.677 . 0 0 "[ . 1 . 2]" 1 580 1 23 GLN QB 1 26 ALA MB 1.800 . 5.000 4.575 4.422 4.727 . 0 0 "[ . 1 . 2]" 1 581 1 23 GLN QG 1 24 ALA HA 1.800 . 5.000 3.655 3.371 4.024 . 0 0 "[ . 1 . 2]" 1 582 1 23 GLN QG 1 24 ALA H 1.800 . 4.140 3.531 3.307 3.792 . 0 0 "[ . 1 . 2]" 1 583 1 23 GLN QG 1 26 ALA MB 1.800 . 4.490 3.997 3.653 4.501 0.011 1 0 "[ . 1 . 2]" 1 584 1 23 GLN QG 1 26 ALA H 1.800 . 5.300 5.107 4.932 5.336 0.036 1 0 "[ . 1 . 2]" 1 585 1 23 GLN QG 1 27 ARG H 1.800 . 5.380 4.608 4.424 4.769 . 0 0 "[ . 1 . 2]" 1 586 1 23 GLN QG 1 52 PHE QD 1.800 . 4.670 4.046 3.526 4.709 0.039 2 0 "[ . 1 . 2]" 1 587 1 23 GLN QG 1 52 PHE QE 1.800 . 4.630 2.779 2.309 3.192 . 0 0 "[ . 1 . 2]" 1 588 1 23 GLN H 1 23 GLN QB 1.800 . 3.090 2.226 2.192 2.257 . 0 0 "[ . 1 . 2]" 1 589 1 23 GLN H 1 23 GLN QG 1.800 . 4.060 3.980 3.925 4.036 . 0 0 "[ . 1 . 2]" 1 590 1 23 GLN H 1 24 ALA MB 1.800 . 4.900 4.314 4.185 4.465 . 0 0 "[ . 1 . 2]" 1 591 1 23 GLN H 1 25 LYS QB 1.800 . 5.220 4.719 4.368 5.046 . 0 0 "[ . 1 . 2]" 1 592 1 23 GLN H 1 26 ALA MB 1.800 . 5.500 4.957 4.735 5.054 . 0 0 "[ . 1 . 2]" 1 593 1 24 ALA HA 1 26 ALA MB 1.800 . 4.740 4.707 4.578 4.796 0.056 9 0 "[ . 1 . 2]" 1 594 1 24 ALA HA 1 27 ARG HB3 1.800 . 4.340 3.205 2.527 4.386 0.046 8 0 "[ . 1 . 2]" 1 595 1 24 ALA HA 1 27 ARG HB2 1.800 . 4.340 3.365 2.709 4.016 . 0 0 "[ . 1 . 2]" 1 596 1 24 ALA HA 1 27 ARG H 1.800 . 3.540 3.325 3.202 3.496 . 0 0 "[ . 1 . 2]" 1 597 1 24 ALA HA 1 28 ILE MD 1.800 . 4.490 4.284 4.014 4.512 0.022 19 0 "[ . 1 . 2]" 1 598 1 24 ALA HA 1 28 ILE QG 1.800 . 5.440 3.746 3.429 3.978 . 0 0 "[ . 1 . 2]" 1 599 1 24 ALA HA 1 28 ILE H 1.800 . 4.780 3.987 3.811 4.108 . 0 0 "[ . 1 . 2]" 1 600 1 24 ALA HA 1 48 ALA MB 1.800 . 4.200 3.084 2.636 3.407 . 0 0 "[ . 1 . 2]" 1 601 1 24 ALA HA 1 52 PHE QD 1.800 . 5.100 3.576 2.515 4.212 . 0 0 "[ . 1 . 2]" 1 602 1 24 ALA HA 1 52 PHE QE 1.800 . 4.220 1.834 1.761 2.298 0.039 9 0 "[ . 1 . 2]" 1 603 1 24 ALA MB 1 25 LYS H 1.800 . 3.130 2.483 2.362 2.578 . 0 0 "[ . 1 . 2]" 1 604 1 24 ALA MB 1 26 ALA H 1.800 . 4.750 4.554 4.441 4.667 . 0 0 "[ . 1 . 2]" 1 605 1 24 ALA MB 1 27 ARG HB3 1.800 . 5.320 4.320 3.689 5.311 . 0 0 "[ . 1 . 2]" 1 606 1 24 ALA MB 1 27 ARG HB2 1.800 . 5.320 4.711 3.887 5.327 0.007 16 0 "[ . 1 . 2]" 1 607 1 24 ALA MB 1 27 ARG H 1.800 . 5.490 4.475 4.354 4.620 . 0 0 "[ . 1 . 2]" 1 608 1 24 ALA MB 1 28 ILE QG 1.800 . 4.820 3.103 2.964 3.258 . 0 0 "[ . 1 . 2]" 1 609 1 24 ALA MB 1 28 ILE H 1.800 . 4.570 4.265 4.200 4.336 . 0 0 "[ . 1 . 2]" 1 610 1 24 ALA MB 1 31 LEU MD1 1.800 . 5.500 5.490 5.349 5.572 0.072 17 0 "[ . 1 . 2]" 1 611 1 24 ALA MB 1 45 VAL MG1 1.800 . 5.000 4.041 3.686 4.388 . 0 0 "[ . 1 . 2]" 1 612 1 24 ALA MB 1 49 ARG QB 1.800 . 5.000 3.973 3.469 4.502 . 0 0 "[ . 1 . 2]" 1 613 1 24 ALA MB 1 49 ARG H 1.800 . 5.160 4.363 4.061 4.667 . 0 0 "[ . 1 . 2]" 1 614 1 24 ALA MB 1 52 PHE QD 1.800 . 5.330 2.951 2.671 3.480 . 0 0 "[ . 1 . 2]" 1 615 1 24 ALA MB 1 52 PHE QE 1.800 . 4.570 2.818 2.027 3.395 . 0 0 "[ . 1 . 2]" 1 616 1 24 ALA H 1 24 ALA MB 1.800 . 2.780 2.242 2.231 2.256 . 0 0 "[ . 1 . 2]" 1 617 1 24 ALA H 1 25 LYS H 1.800 . 3.110 2.681 2.589 2.738 . 0 0 "[ . 1 . 2]" 1 618 1 24 ALA H 1 26 ALA H 1.800 . 4.350 4.232 4.109 4.323 . 0 0 "[ . 1 . 2]" 1 619 1 24 ALA H 1 52 PHE QE 1.800 . 5.210 3.926 3.192 4.301 . 0 0 "[ . 1 . 2]" 1 620 1 25 LYS HA 1 25 LYS QD 1.800 . 4.160 3.980 3.874 4.034 . 0 0 "[ . 1 . 2]" 1 621 1 25 LYS HA 1 25 LYS QG 1.800 . 3.150 2.490 2.403 2.651 . 0 0 "[ . 1 . 2]" 1 622 1 25 LYS HA 1 28 ILE HB 1.800 . 3.600 2.587 2.380 2.793 . 0 0 "[ . 1 . 2]" 1 623 1 25 LYS HA 1 28 ILE MD 1.800 . 3.200 2.030 1.788 2.385 0.012 14 0 "[ . 1 . 2]" 1 624 1 25 LYS HA 1 28 ILE QG 1.800 . 5.500 3.178 2.880 3.450 . 0 0 "[ . 1 . 2]" 1 625 1 25 LYS HA 1 28 ILE MG 1.800 . 4.200 3.931 3.740 4.142 . 0 0 "[ . 1 . 2]" 1 626 1 25 LYS HA 1 28 ILE H 1.800 . 3.800 3.364 3.150 3.509 . 0 0 "[ . 1 . 2]" 1 627 1 25 LYS HA 1 29 GLU QG 1.800 . 5.130 3.791 3.612 4.085 . 0 0 "[ . 1 . 2]" 1 628 1 25 LYS QB 1 25 LYS QD 1.800 . 3.070 2.126 2.103 2.142 . 0 0 "[ . 1 . 2]" 1 629 1 25 LYS QB 1 26 ALA MB 1.800 . 4.130 3.899 3.769 4.098 . 0 0 "[ . 1 . 2]" 1 630 1 25 LYS HB3 1 25 LYS HD3 1.800 . 3.520 2.532 2.431 2.615 . 0 0 "[ . 1 . 2]" 1 631 1 25 LYS HB3 1 25 LYS HD2 1.800 . 3.520 3.118 2.940 3.472 . 0 0 "[ . 1 . 2]" 1 632 1 25 LYS HB3 1 25 LYS HE3 1.800 . 4.840 4.717 3.944 4.847 0.007 4 0 "[ . 1 . 2]" 1 633 1 25 LYS HB3 1 25 LYS HE2 1.800 . 5.300 4.639 4.386 4.783 . 0 0 "[ . 1 . 2]" 1 634 1 25 LYS HB3 1 26 ALA H 1.800 . 5.000 2.542 2.369 2.733 . 0 0 "[ . 1 . 2]" 1 635 1 25 LYS HB2 1 25 LYS HD3 1.800 . 3.520 2.981 2.518 3.159 . 0 0 "[ . 1 . 2]" 1 636 1 25 LYS HB2 1 25 LYS HD2 1.800 . 3.520 2.480 2.397 2.616 . 0 0 "[ . 1 . 2]" 1 637 1 25 LYS HB2 1 25 LYS HE3 1.800 . 4.840 4.671 4.213 4.776 . 0 0 "[ . 1 . 2]" 1 638 1 25 LYS HB2 1 25 LYS HE2 1.800 . 5.300 4.335 4.157 4.682 . 0 0 "[ . 1 . 2]" 1 639 1 25 LYS HB2 1 26 ALA H 1.800 . 5.000 3.871 3.746 4.044 . 0 0 "[ . 1 . 2]" 1 640 1 25 LYS QD 1 26 ALA H 1.800 . 5.240 4.477 4.314 4.712 . 0 0 "[ . 1 . 2]" 1 641 1 25 LYS HE3 1 25 LYS QG 1.800 . 4.120 3.166 2.346 3.315 . 0 0 "[ . 1 . 2]" 1 642 1 25 LYS HE2 1 25 LYS QG 1.800 . 4.270 2.469 2.317 3.310 . 0 0 "[ . 1 . 2]" 1 643 1 25 LYS QG 1 26 ALA H 1.800 . 4.930 3.457 3.235 3.699 . 0 0 "[ . 1 . 2]" 1 644 1 25 LYS QG 1 28 ILE MD 1.800 . 4.470 3.717 3.454 3.946 . 0 0 "[ . 1 . 2]" 1 645 1 25 LYS QG 1 29 GLU QG 1.800 . 4.090 2.818 2.678 2.940 . 0 0 "[ . 1 . 2]" 1 646 1 25 LYS QG 1 29 GLU H 1.800 . 4.320 4.039 3.861 4.222 . 0 0 "[ . 1 . 2]" 1 647 1 25 LYS H 1 25 LYS HB3 1.800 . 3.250 2.501 2.259 2.611 . 0 0 "[ . 1 . 2]" 1 648 1 25 LYS H 1 25 LYS HB2 1.800 . 3.250 2.533 2.424 2.697 . 0 0 "[ . 1 . 2]" 1 649 1 25 LYS H 1 25 LYS QD 1.800 . 4.730 4.372 4.305 4.406 . 0 0 "[ . 1 . 2]" 1 650 1 25 LYS H 1 25 LYS QG 1.800 . 3.900 3.956 3.901 3.970 0.070 20 0 "[ . 1 . 2]" 1 651 1 25 LYS H 1 26 ALA HA 1.800 . 5.500 5.389 5.345 5.452 . 0 0 "[ . 1 . 2]" 1 652 1 25 LYS H 1 26 ALA MB 1.800 . 4.550 4.438 4.390 4.517 . 0 0 "[ . 1 . 2]" 1 653 1 25 LYS H 1 26 ALA H 1.800 . 3.290 2.809 2.755 2.894 . 0 0 "[ . 1 . 2]" 1 654 1 25 LYS H 1 27 ARG H 1.800 . 4.500 4.204 3.958 4.390 . 0 0 "[ . 1 . 2]" 1 655 1 25 LYS H 1 28 ILE MD 1.800 . 4.950 3.629 3.403 3.987 . 0 0 "[ . 1 . 2]" 1 656 1 26 ALA HA 1 28 ILE H 1.800 . 5.320 4.575 4.436 4.716 . 0 0 "[ . 1 . 2]" 1 657 1 26 ALA HA 1 29 GLU HB3 1.800 . 5.500 5.067 4.502 5.410 . 0 0 "[ . 1 . 2]" 1 658 1 26 ALA HA 1 29 GLU HB2 1.800 . 5.500 3.370 2.883 3.692 . 0 0 "[ . 1 . 2]" 1 659 1 26 ALA HA 1 29 GLU QG 1.800 . 4.440 4.159 3.510 4.448 0.008 4 0 "[ . 1 . 2]" 1 660 1 26 ALA MB 1 27 ARG H 1.800 . 2.960 2.513 2.350 2.693 . 0 0 "[ . 1 . 2]" 1 661 1 26 ALA MB 1 28 ILE H 1.800 . 4.900 4.545 4.420 4.708 . 0 0 "[ . 1 . 2]" 1 662 1 26 ALA MB 1 29 GLU QB 1.800 . 5.300 4.624 4.152 4.881 . 0 0 "[ . 1 . 2]" 1 663 1 26 ALA MB 1 30 GLN H 1.800 . 5.500 4.834 4.719 4.949 . 0 0 "[ . 1 . 2]" 1 664 1 26 ALA H 1 26 ALA MB 1.800 . 2.700 2.231 2.221 2.239 . 0 0 "[ . 1 . 2]" 1 665 1 26 ALA H 1 27 ARG HA 1.800 . 5.500 5.331 5.294 5.399 . 0 0 "[ . 1 . 2]" 1 666 1 26 ALA H 1 27 ARG H 1.800 . 3.140 2.733 2.673 2.835 . 0 0 "[ . 1 . 2]" 1 667 1 26 ALA H 1 28 ILE H 1.800 . 4.530 4.160 4.043 4.308 . 0 0 "[ . 1 . 2]" 1 668 1 26 ALA H 1 29 GLU H 1.800 . 5.500 4.925 4.787 4.998 . 0 0 "[ . 1 . 2]" 1 669 1 27 ARG HA 1 27 ARG HD3 1.800 . 5.000 3.983 2.144 4.845 . 0 0 "[ . 1 . 2]" 1 670 1 27 ARG HA 1 27 ARG HD2 1.800 . 5.000 3.541 1.927 4.682 . 0 0 "[ . 1 . 2]" 1 671 1 27 ARG HA 1 27 ARG QG 1.800 . 3.730 2.612 2.211 3.053 . 0 0 "[ . 1 . 2]" 1 672 1 27 ARG HA 1 29 GLU H 1.800 . 5.440 4.627 4.450 4.845 . 0 0 "[ . 1 . 2]" 1 673 1 27 ARG HA 1 30 GLN QB 1.800 . 3.490 2.411 2.010 2.870 . 0 0 "[ . 1 . 2]" 1 674 1 27 ARG HA 1 30 GLN HE21 1.800 . 5.500 3.954 2.123 5.527 0.027 15 0 "[ . 1 . 2]" 1 675 1 27 ARG HA 1 30 GLN H 1.800 . 3.810 3.425 3.255 3.761 . 0 0 "[ . 1 . 2]" 1 676 1 27 ARG HA 1 31 LEU HG 1.800 . 4.420 3.945 3.779 4.070 . 0 0 "[ . 1 . 2]" 1 677 1 27 ARG HA 1 31 LEU H 1.800 . 4.560 4.001 3.894 4.178 . 0 0 "[ . 1 . 2]" 1 678 1 27 ARG QB 1 27 ARG HD3 1.800 . 4.160 2.809 2.307 3.488 . 0 0 "[ . 1 . 2]" 1 679 1 27 ARG QB 1 27 ARG HD2 1.800 . 4.160 2.643 2.253 3.296 . 0 0 "[ . 1 . 2]" 1 680 1 27 ARG HB3 1 28 ILE H 1.800 . 4.340 2.869 2.347 3.726 . 0 0 "[ . 1 . 2]" 1 681 1 27 ARG HB3 1 31 LEU MD1 1.800 . 4.780 3.773 3.195 4.091 . 0 0 "[ . 1 . 2]" 1 682 1 27 ARG HB3 1 52 PHE QE 1.800 . 5.440 3.225 2.157 4.691 . 0 0 "[ . 1 . 2]" 1 683 1 27 ARG HB2 1 28 ILE H 1.800 . 4.340 3.562 2.386 4.010 . 0 0 "[ . 1 . 2]" 1 684 1 27 ARG HB2 1 31 LEU MD1 1.800 . 4.780 4.630 3.748 4.873 0.093 10 0 "[ . 1 . 2]" 1 685 1 27 ARG HB2 1 52 PHE QE 1.800 . 5.440 3.200 2.463 4.031 . 0 0 "[ . 1 . 2]" 1 686 1 27 ARG QD 1 31 LEU MD1 1.800 . 5.000 3.854 3.008 5.072 0.072 1 0 "[ . 1 . 2]" 1 687 1 27 ARG HG3 1 52 PHE QE 1.800 . 5.280 4.310 2.744 5.288 0.008 17 0 "[ . 1 . 2]" 1 688 1 27 ARG HG2 1 52 PHE QE 1.800 . 5.280 4.019 2.594 5.221 . 0 0 "[ . 1 . 2]" 1 689 1 27 ARG H 1 27 ARG HB3 1.800 . 3.660 2.803 2.435 3.603 . 0 0 "[ . 1 . 2]" 1 690 1 27 ARG H 1 27 ARG HB2 1.800 . 3.660 2.545 2.330 2.662 . 0 0 "[ . 1 . 2]" 1 691 1 27 ARG H 1 27 ARG HG3 1.800 . 4.770 4.168 2.688 4.505 . 0 0 "[ . 1 . 2]" 1 692 1 27 ARG H 1 27 ARG HG2 1.800 . 4.770 4.043 2.014 4.648 . 0 0 "[ . 1 . 2]" 1 693 1 27 ARG H 1 28 ILE HB 1.800 . 5.330 4.816 4.709 4.903 . 0 0 "[ . 1 . 2]" 1 694 1 27 ARG H 1 28 ILE HG13 1.800 . 5.500 4.145 4.027 4.256 . 0 0 "[ . 1 . 2]" 1 695 1 27 ARG H 1 28 ILE H 1.800 . 3.170 2.603 2.497 2.700 . 0 0 "[ . 1 . 2]" 1 696 1 27 ARG H 1 48 ALA MB 1.800 . 4.550 4.364 4.020 4.618 0.068 15 0 "[ . 1 . 2]" 1 697 1 28 ILE HA 1 28 ILE QG 1.800 . 3.490 2.426 2.399 2.453 . 0 0 "[ . 1 . 2]" 1 698 1 28 ILE HA 1 28 ILE MG 1.800 . 3.210 2.412 2.390 2.437 . 0 0 "[ . 1 . 2]" 1 699 1 28 ILE HA 1 30 GLN H 1.800 . 4.540 4.295 4.171 4.460 . 0 0 "[ . 1 . 2]" 1 700 1 28 ILE HA 1 31 LEU QB 1.800 . 3.320 2.739 2.505 2.902 . 0 0 "[ . 1 . 2]" 1 701 1 28 ILE HA 1 31 LEU MD1 1.800 . 3.040 2.028 1.789 2.275 0.011 10 0 "[ . 1 . 2]" 1 702 1 28 ILE HA 1 31 LEU HG 1.800 . 3.790 3.274 2.980 3.450 . 0 0 "[ . 1 . 2]" 1 703 1 28 ILE HA 1 31 LEU H 1.800 . 3.870 3.431 3.306 3.546 . 0 0 "[ . 1 . 2]" 1 704 1 28 ILE HA 1 32 ALA H 1.800 . 5.460 4.315 4.102 4.516 . 0 0 "[ . 1 . 2]" 1 705 1 28 ILE HA 1 44 LEU QB 1.800 . 3.780 3.396 3.119 3.781 0.001 3 0 "[ . 1 . 2]" 1 706 1 28 ILE HA 1 48 ALA HA 1.800 . 5.500 5.349 5.074 5.564 0.064 16 0 "[ . 1 . 2]" 1 707 1 28 ILE HA 1 48 ALA MB 1.800 . 3.430 2.936 2.681 3.184 . 0 0 "[ . 1 . 2]" 1 708 1 28 ILE HB 1 28 ILE MD 1.800 . 3.080 2.365 2.322 2.389 . 0 0 "[ . 1 . 2]" 1 709 1 28 ILE HB 1 29 GLU H 1.800 . 2.940 2.418 2.322 2.503 . 0 0 "[ . 1 . 2]" 1 710 1 28 ILE HB 1 40 VAL MG1 1.800 . 5.360 4.051 3.826 4.228 . 0 0 "[ . 1 . 2]" 1 711 1 28 ILE HB 1 40 VAL MG2 1.800 . 5.510 4.593 4.436 4.814 . 0 0 "[ . 1 . 2]" 1 712 1 28 ILE HB 1 48 ALA MB 1.800 . 4.360 4.227 4.114 4.355 . 0 0 "[ . 1 . 2]" 1 713 1 28 ILE MD 1 40 VAL MG2 1.800 . 4.580 4.195 4.018 4.330 . 0 0 "[ . 1 . 2]" 1 714 1 28 ILE MD 1 45 VAL HA 1.800 . 3.080 2.106 1.823 2.287 . 0 0 "[ . 1 . 2]" 1 715 1 28 ILE MD 1 45 VAL MG1 1.800 . 3.410 1.843 1.752 2.062 0.048 3 0 "[ . 1 . 2]" 1 716 1 28 ILE MD 1 45 VAL MG2 1.800 . 3.350 1.988 1.778 2.422 0.022 17 0 "[ . 1 . 2]" 1 717 1 28 ILE MD 1 46 GLU H 1.800 . 5.500 4.893 4.702 5.040 . 0 0 "[ . 1 . 2]" 1 718 1 28 ILE MD 1 48 ALA MB 1.800 . 3.470 2.781 2.581 2.998 . 0 0 "[ . 1 . 2]" 1 719 1 28 ILE QG 1 31 LEU HG 1.800 . 5.070 4.892 4.688 5.073 0.003 14 0 "[ . 1 . 2]" 1 720 1 28 ILE QG 1 45 VAL HA 1.800 . 3.480 1.979 1.803 2.193 . 0 0 "[ . 1 . 2]" 1 721 1 28 ILE QG 1 45 VAL MG2 1.800 . 5.050 3.354 3.130 3.602 . 0 0 "[ . 1 . 2]" 1 722 1 28 ILE QG 1 48 ALA HA 1.800 . 4.730 4.417 4.213 4.542 . 0 0 "[ . 1 . 2]" 1 723 1 28 ILE QG 1 48 ALA H 1.800 . 4.180 3.528 3.362 3.707 . 0 0 "[ . 1 . 2]" 1 724 1 28 ILE HG13 1 48 ALA MB 1.800 . 3.360 2.334 2.209 2.420 . 0 0 "[ . 1 . 2]" 1 725 1 28 ILE HG12 1 48 ALA MB 1.800 . 3.360 2.199 2.051 2.465 . 0 0 "[ . 1 . 2]" 1 726 1 28 ILE HG13 1 28 ILE MG 1.800 . 3.580 3.195 3.185 3.199 . 0 0 "[ . 1 . 2]" 1 727 1 28 ILE HG12 1 28 ILE MG 1.800 . 3.580 2.318 2.283 2.342 . 0 0 "[ . 1 . 2]" 1 728 1 28 ILE MG 1 29 GLU HA 1.800 . 4.260 3.276 3.192 3.367 . 0 0 "[ . 1 . 2]" 1 729 1 28 ILE MG 1 29 GLU QB 1.800 . 5.500 4.484 4.347 4.655 . 0 0 "[ . 1 . 2]" 1 730 1 28 ILE MG 1 29 GLU QG 1.800 . 4.530 3.291 3.052 3.724 . 0 0 "[ . 1 . 2]" 1 731 1 28 ILE MG 1 29 GLU H 1.800 . 3.720 3.249 3.126 3.350 . 0 0 "[ . 1 . 2]" 1 732 1 28 ILE MG 1 30 GLN H 1.800 . 4.990 4.817 4.706 4.961 . 0 0 "[ . 1 . 2]" 1 733 1 28 ILE MG 1 31 LEU QB 1.800 . 5.090 3.622 3.408 3.749 . 0 0 "[ . 1 . 2]" 1 734 1 28 ILE MG 1 31 LEU H 1.800 . 5.140 4.623 4.525 4.719 . 0 0 "[ . 1 . 2]" 1 735 1 28 ILE MG 1 32 ALA H 1.800 . 4.390 4.145 3.943 4.270 . 0 0 "[ . 1 . 2]" 1 736 1 28 ILE MG 1 40 VAL HA 1.800 . 5.020 4.247 4.023 4.420 . 0 0 "[ . 1 . 2]" 1 737 1 28 ILE MG 1 40 VAL MG1 1.800 . 3.210 2.324 2.139 2.445 . 0 0 "[ . 1 . 2]" 1 738 1 28 ILE MG 1 40 VAL MG2 1.800 . 2.860 2.783 2.645 2.900 0.040 18 0 "[ . 1 . 2]" 1 739 1 28 ILE MG 1 44 LEU HA 1.800 . 4.840 4.348 4.112 4.530 . 0 0 "[ . 1 . 2]" 1 740 1 28 ILE MG 1 44 LEU HB3 1.800 . 3.890 2.329 1.992 2.586 . 0 0 "[ . 1 . 2]" 1 741 1 28 ILE MG 1 44 LEU HB2 1.800 . 3.890 3.189 2.874 3.661 . 0 0 "[ . 1 . 2]" 1 742 1 28 ILE MG 1 44 LEU MD2 1.800 . 4.160 3.330 2.962 3.613 . 0 0 "[ . 1 . 2]" 1 743 1 28 ILE MG 1 44 LEU HG 1.800 . 4.580 4.434 4.089 4.626 0.046 3 0 "[ . 1 . 2]" 1 744 1 28 ILE MG 1 45 VAL HA 1.800 . 3.710 2.639 2.183 3.000 . 0 0 "[ . 1 . 2]" 1 745 1 28 ILE MG 1 45 VAL MG2 1.800 . 3.240 1.971 1.799 2.227 0.001 3 0 "[ . 1 . 2]" 1 746 1 28 ILE MG 1 45 VAL H 1.800 . 4.280 3.293 3.106 3.432 . 0 0 "[ . 1 . 2]" 1 747 1 28 ILE MG 1 48 ALA MB 1.800 . 4.730 3.672 3.490 3.920 . 0 0 "[ . 1 . 2]" 1 748 1 28 ILE MG 1 48 ALA H 1.800 . 5.220 4.756 4.572 4.937 . 0 0 "[ . 1 . 2]" 1 749 1 28 ILE H 1 28 ILE HB 1.800 . 2.960 2.556 2.518 2.601 . 0 0 "[ . 1 . 2]" 1 750 1 28 ILE H 1 28 ILE MD 1.800 . 3.570 3.419 3.296 3.486 . 0 0 "[ . 1 . 2]" 1 751 1 28 ILE H 1 28 ILE HG13 1.800 . 4.560 2.047 1.967 2.119 . 0 0 "[ . 1 . 2]" 1 752 1 28 ILE H 1 28 ILE HG12 1.800 . 4.560 3.428 3.370 3.493 . 0 0 "[ . 1 . 2]" 1 753 1 28 ILE H 1 28 ILE MG 1.800 . 3.890 3.771 3.755 3.784 . 0 0 "[ . 1 . 2]" 1 754 1 28 ILE H 1 29 GLU H 1.800 . 3.260 2.818 2.762 2.860 . 0 0 "[ . 1 . 2]" 1 755 1 28 ILE H 1 30 GLN H 1.800 . 4.470 3.957 3.727 4.155 . 0 0 "[ . 1 . 2]" 1 756 1 28 ILE H 1 48 ALA MB 1.800 . 3.860 3.264 3.018 3.533 . 0 0 "[ . 1 . 2]" 1 757 1 29 GLU HA 1 29 GLU HG3 1.800 . 3.760 3.078 2.987 3.256 . 0 0 "[ . 1 . 2]" 1 758 1 29 GLU HA 1 29 GLU HG2 1.800 . 3.760 2.496 2.377 2.564 . 0 0 "[ . 1 . 2]" 1 759 1 29 GLU HA 1 31 LEU H 1.800 . 4.970 4.296 4.141 4.481 . 0 0 "[ . 1 . 2]" 1 760 1 29 GLU HA 1 32 ALA MB 1.800 . 3.470 2.564 2.385 2.816 . 0 0 "[ . 1 . 2]" 1 761 1 29 GLU HA 1 32 ALA H 1.800 . 4.150 3.211 3.108 3.543 . 0 0 "[ . 1 . 2]" 1 762 1 29 GLU HA 1 33 ARG H 1.800 . 5.220 4.178 3.872 4.447 . 0 0 "[ . 1 . 2]" 1 763 1 29 GLU HA 1 40 VAL MG1 1.800 . 4.040 2.577 2.289 3.133 . 0 0 "[ . 1 . 2]" 1 764 1 29 GLU QB 1 40 VAL MG1 1.800 . 5.260 3.851 3.572 4.629 . 0 0 "[ . 1 . 2]" 1 765 1 29 GLU HB3 1 30 GLN H 1.800 . 3.970 3.896 3.621 3.989 0.019 11 0 "[ . 1 . 2]" 1 766 1 29 GLU HB2 1 30 GLN H 1.800 . 3.970 2.925 2.697 3.035 . 0 0 "[ . 1 . 2]" 1 767 1 29 GLU QG 1 30 GLN H 1.800 . 4.560 4.127 3.999 4.250 . 0 0 "[ . 1 . 2]" 1 768 1 29 GLU QG 1 40 VAL MG2 1.800 . 5.500 3.826 3.559 4.791 . 0 0 "[ . 1 . 2]" 1 769 1 29 GLU HG3 1 40 VAL MG1 1.800 . 4.590 3.599 3.108 4.348 . 0 0 "[ . 1 . 2]" 1 770 1 29 GLU HG2 1 40 VAL MG1 1.800 . 4.590 2.671 2.347 3.762 . 0 0 "[ . 1 . 2]" 1 771 1 29 GLU H 1 29 GLU QB 1.800 . 2.980 2.439 2.378 2.515 . 0 0 "[ . 1 . 2]" 1 772 1 29 GLU H 1 29 GLU HG3 1.800 . 3.910 2.230 2.123 2.470 . 0 0 "[ . 1 . 2]" 1 773 1 29 GLU H 1 29 GLU HG2 1.800 . 3.910 3.391 3.148 3.492 . 0 0 "[ . 1 . 2]" 1 774 1 29 GLU H 1 30 GLN H 1.800 . 3.100 2.574 2.516 2.741 . 0 0 "[ . 1 . 2]" 1 775 1 29 GLU H 1 40 VAL MG1 1.800 . 4.850 4.115 3.810 4.437 . 0 0 "[ . 1 . 2]" 1 776 1 30 GLN HA 1 30 GLN HG3 1.800 . 3.710 2.805 2.355 3.718 0.008 15 0 "[ . 1 . 2]" 1 777 1 30 GLN HA 1 30 GLN HG2 1.800 . 3.710 2.967 2.438 3.777 0.067 12 0 "[ . 1 . 2]" 1 778 1 30 GLN HA 1 31 LEU H 1.800 . 3.550 3.532 3.512 3.552 0.002 8 0 "[ . 1 . 2]" 1 779 1 30 GLN HA 1 33 ARG HB3 1.800 . 4.770 4.277 3.856 4.578 . 0 0 "[ . 1 . 2]" 1 780 1 30 GLN HA 1 33 ARG HB2 1.800 . 4.770 2.709 2.293 3.059 . 0 0 "[ . 1 . 2]" 1 781 1 30 GLN HA 1 33 ARG QG 1.800 . 3.940 3.031 2.217 3.896 . 0 0 "[ . 1 . 2]" 1 782 1 30 GLN HA 1 33 ARG H 1.800 . 4.280 3.291 2.977 3.566 . 0 0 "[ . 1 . 2]" 1 783 1 30 GLN QB 1 31 LEU MD1 1.800 . 5.340 4.642 4.484 4.932 . 0 0 "[ . 1 . 2]" 1 784 1 30 GLN QB 1 31 LEU MD2 1.800 . 4.510 3.985 3.749 4.349 . 0 0 "[ . 1 . 2]" 1 785 1 30 GLN QB 1 31 LEU H 1.800 . 3.380 2.556 2.315 2.717 . 0 0 "[ . 1 . 2]" 1 786 1 30 GLN QB 1 32 ALA H 1.800 . 5.120 4.665 4.560 4.782 . 0 0 "[ . 1 . 2]" 1 787 1 30 GLN QB 1 33 ARG QB 1.800 . 5.500 4.345 3.808 4.708 . 0 0 "[ . 1 . 2]" 1 788 1 30 GLN QB 1 33 ARG QG 1.800 . 5.500 4.797 4.223 5.458 . 0 0 "[ . 1 . 2]" 1 789 1 30 GLN QB 1 33 ARG H 1.800 . 5.500 4.832 4.532 5.045 . 0 0 "[ . 1 . 2]" 1 790 1 30 GLN QB 1 34 GLN H 1.800 . 5.500 5.067 4.563 5.516 0.016 5 0 "[ . 1 . 2]" 1 791 1 30 GLN QG 1 33 ARG H 1.800 . 5.270 4.955 4.581 5.393 0.123 15 0 "[ . 1 . 2]" 1 792 1 30 GLN HG3 1 31 LEU H 1.800 . 5.360 4.659 3.692 5.013 . 0 0 "[ . 1 . 2]" 1 793 1 30 GLN HG2 1 31 LEU H 1.800 . 5.360 4.371 3.555 5.091 . 0 0 "[ . 1 . 2]" 1 794 1 30 GLN H 1 30 GLN QG 1.800 . 4.230 3.513 2.294 4.021 . 0 0 "[ . 1 . 2]" 1 795 1 30 GLN H 1 31 LEU H 1.800 . 3.120 2.571 2.479 2.676 . 0 0 "[ . 1 . 2]" 1 796 1 30 GLN H 1 32 ALA MB 1.800 . 4.970 4.740 4.562 4.979 0.009 3 0 "[ . 1 . 2]" 1 797 1 30 GLN H 1 32 ALA H 1.800 . 4.320 3.988 3.821 4.164 . 0 0 "[ . 1 . 2]" 1 798 1 31 LEU HA 1 31 LEU MD1 1.800 . 3.930 3.890 3.870 3.907 . 0 0 "[ . 1 . 2]" 1 799 1 31 LEU HA 1 31 LEU MD2 1.800 . 4.150 2.087 2.026 2.183 . 0 0 "[ . 1 . 2]" 1 800 1 31 LEU HA 1 31 LEU HG 1.800 . 3.760 2.996 2.867 3.087 . 0 0 "[ . 1 . 2]" 1 801 1 31 LEU HA 1 34 GLN QB 1.800 . 3.590 2.549 2.264 2.846 . 0 0 "[ . 1 . 2]" 1 802 1 31 LEU HA 1 34 GLN HE21 1.800 . 4.500 2.921 2.272 4.154 . 0 0 "[ . 1 . 2]" 1 803 1 31 LEU QB 1 32 ALA MB 1.800 . 4.060 3.815 3.679 3.934 . 0 0 "[ . 1 . 2]" 1 804 1 31 LEU QB 1 44 LEU MD1 1.800 . 4.530 3.906 3.524 4.216 . 0 0 "[ . 1 . 2]" 1 805 1 31 LEU QB 1 44 LEU HG 1.800 . 3.480 2.614 2.212 2.945 . 0 0 "[ . 1 . 2]" 1 806 1 31 LEU HB3 1 31 LEU MD1 1.800 . 3.200 2.456 2.400 2.517 . 0 0 "[ . 1 . 2]" 1 807 1 31 LEU HB3 1 31 LEU MD2 1.800 . 3.260 2.313 2.261 2.376 . 0 0 "[ . 1 . 2]" 1 808 1 31 LEU HB3 1 32 ALA H 1.800 . 4.150 3.654 3.534 3.792 . 0 0 "[ . 1 . 2]" 1 809 1 31 LEU HB3 1 44 LEU MD2 1.800 . 3.460 2.900 2.363 3.222 . 0 0 "[ . 1 . 2]" 1 810 1 31 LEU HB2 1 31 LEU MD1 1.800 . 3.200 2.273 2.220 2.322 . 0 0 "[ . 1 . 2]" 1 811 1 31 LEU HB2 1 31 LEU MD2 1.800 . 3.260 3.192 3.177 3.203 . 0 0 "[ . 1 . 2]" 1 812 1 31 LEU HB2 1 32 ALA H 1.800 . 4.150 2.650 2.503 2.816 . 0 0 "[ . 1 . 2]" 1 813 1 31 LEU HB2 1 44 LEU MD2 1.800 . 3.460 2.613 2.198 2.870 . 0 0 "[ . 1 . 2]" 1 814 1 31 LEU MD1 1 32 ALA H 1.800 . 4.790 4.469 4.266 4.638 . 0 0 "[ . 1 . 2]" 1 815 1 31 LEU MD1 1 44 LEU QB 1.800 . 3.470 3.092 2.760 3.491 0.021 4 0 "[ . 1 . 2]" 1 816 1 31 LEU MD1 1 44 LEU HG 1.800 . 3.350 3.110 2.744 3.376 0.026 19 0 "[ . 1 . 2]" 1 817 1 31 LEU MD1 1 47 GLN QB 1.800 . 3.800 2.748 2.326 3.236 . 0 0 "[ . 1 . 2]" 1 818 1 31 LEU MD1 1 47 GLN QG 1.800 . 4.330 3.615 2.266 4.202 . 0 0 "[ . 1 . 2]" 1 819 1 31 LEU MD1 1 48 ALA HA 1.800 . 3.700 3.054 2.769 3.340 . 0 0 "[ . 1 . 2]" 1 820 1 31 LEU MD1 1 48 ALA MB 1.800 . 3.470 2.257 1.894 2.797 . 0 0 "[ . 1 . 2]" 1 821 1 31 LEU MD1 1 48 ALA H 1.800 . 3.560 3.185 2.926 3.465 . 0 0 "[ . 1 . 2]" 1 822 1 31 LEU MD1 1 51 GLU QG 1.800 . 5.500 3.646 2.983 4.441 . 0 0 "[ . 1 . 2]" 1 823 1 31 LEU MD2 1 34 GLN HE21 1.800 . 4.200 2.950 2.482 4.200 . 0 0 "[ . 1 . 2]" 1 824 1 31 LEU MD2 1 47 GLN QB 1.800 . 5.120 4.198 3.462 4.740 . 0 0 "[ . 1 . 2]" 1 825 1 31 LEU MD2 1 47 GLN HE21 1.800 . 5.180 4.867 3.343 5.228 0.048 6 0 "[ . 1 . 2]" 1 826 1 31 LEU MD2 1 47 GLN QG 1.800 . 5.050 4.417 3.008 5.069 0.019 5 0 "[ . 1 . 2]" 1 827 1 31 LEU MD2 1 48 ALA HA 1.800 . 5.600 4.707 4.331 4.929 . 0 0 "[ . 1 . 2]" 1 828 1 31 LEU HG 1 32 ALA H 1.800 . 4.650 4.373 4.200 4.498 . 0 0 "[ . 1 . 2]" 1 829 1 31 LEU H 1 31 LEU HB3 1.800 . 3.750 3.583 3.568 3.601 . 0 0 "[ . 1 . 2]" 1 830 1 31 LEU H 1 31 LEU HB2 1.800 . 3.750 2.473 2.379 2.552 . 0 0 "[ . 1 . 2]" 1 831 1 31 LEU H 1 31 LEU MD1 1.800 . 3.960 3.484 3.341 3.619 . 0 0 "[ . 1 . 2]" 1 832 1 31 LEU H 1 31 LEU MD2 1.800 . 4.180 3.446 3.242 3.655 . 0 0 "[ . 1 . 2]" 1 833 1 31 LEU H 1 31 LEU HG 1.800 . 3.030 2.263 2.070 2.444 . 0 0 "[ . 1 . 2]" 1 834 1 31 LEU H 1 32 ALA HA 1.800 . 5.420 5.281 5.221 5.353 . 0 0 "[ . 1 . 2]" 1 835 1 31 LEU H 1 32 ALA MB 1.800 . 4.590 4.351 4.268 4.436 . 0 0 "[ . 1 . 2]" 1 836 1 31 LEU H 1 32 ALA H 1.800 . 2.860 2.668 2.585 2.756 . 0 0 "[ . 1 . 2]" 1 837 1 32 ALA HA 1 35 ALA MB 1.800 . 3.290 2.519 2.133 2.833 . 0 0 "[ . 1 . 2]" 1 838 1 32 ALA HA 1 35 ALA H 1.800 . 3.460 3.170 3.043 3.344 . 0 0 "[ . 1 . 2]" 1 839 1 32 ALA HA 1 37 GLN QE 1.800 . 4.440 3.556 2.791 4.491 0.051 18 0 "[ . 1 . 2]" 1 840 1 32 ALA HA 1 37 GLN QG 1.800 . 4.080 2.826 2.298 3.395 . 0 0 "[ . 1 . 2]" 1 841 1 32 ALA HA 1 40 VAL HA 1.800 . 4.950 4.627 4.349 4.917 . 0 0 "[ . 1 . 2]" 1 842 1 32 ALA HA 1 40 VAL MG1 1.800 . 5.180 4.034 3.921 4.193 . 0 0 "[ . 1 . 2]" 1 843 1 32 ALA HA 1 44 LEU MD1 1.800 . 5.000 4.501 4.039 4.871 . 0 0 "[ . 1 . 2]" 1 844 1 32 ALA HA 1 44 LEU MD2 1.800 . 5.000 2.365 2.057 2.648 . 0 0 "[ . 1 . 2]" 1 845 1 32 ALA MB 1 33 ARG H 1.800 . 2.880 2.583 2.442 2.738 . 0 0 "[ . 1 . 2]" 1 846 1 32 ALA MB 1 35 ALA H 1.800 . 4.520 4.369 4.265 4.466 . 0 0 "[ . 1 . 2]" 1 847 1 32 ALA MB 1 37 GLN QE 1.800 . 4.880 3.371 2.672 4.645 . 0 0 "[ . 1 . 2]" 1 848 1 32 ALA MB 1 37 GLN HG3 1.800 . 5.000 2.514 1.921 3.096 . 0 0 "[ . 1 . 2]" 1 849 1 32 ALA MB 1 37 GLN HG2 1.800 . 5.000 3.205 2.545 3.708 . 0 0 "[ . 1 . 2]" 1 850 1 32 ALA MB 1 39 ILE H 1.800 . 4.750 4.082 3.389 4.394 . 0 0 "[ . 1 . 2]" 1 851 1 32 ALA MB 1 40 VAL HA 1.800 . 3.950 2.993 2.492 3.317 . 0 0 "[ . 1 . 2]" 1 852 1 32 ALA MB 1 40 VAL MG1 1.800 . 3.010 1.779 1.733 1.841 0.067 20 0 "[ . 1 . 2]" 1 853 1 32 ALA MB 1 40 VAL MG2 1.800 . 4.490 4.195 4.099 4.277 . 0 0 "[ . 1 . 2]" 1 854 1 32 ALA MB 1 40 VAL H 1.800 . 4.390 4.336 4.069 4.446 0.056 13 0 "[ . 1 . 2]" 1 855 1 32 ALA MB 1 41 THR H 1.800 . 5.030 4.426 3.889 4.813 . 0 0 "[ . 1 . 2]" 1 856 1 32 ALA MB 1 44 LEU MD2 1.800 . 3.290 2.468 2.172 2.677 . 0 0 "[ . 1 . 2]" 1 857 1 32 ALA H 1 32 ALA MB 1.800 . 2.680 2.242 2.229 2.256 . 0 0 "[ . 1 . 2]" 1 858 1 32 ALA H 1 33 ARG H 1.800 . 2.850 2.637 2.548 2.756 . 0 0 "[ . 1 . 2]" 1 859 1 32 ALA H 1 35 ALA H 1.800 . 5.160 4.616 4.486 4.808 . 0 0 "[ . 1 . 2]" 1 860 1 32 ALA H 1 40 VAL MG1 1.800 . 4.700 3.707 3.462 3.884 . 0 0 "[ . 1 . 2]" 1 861 1 32 ALA H 1 44 LEU MD2 1.800 . 4.070 2.862 2.610 3.149 . 0 0 "[ . 1 . 2]" 1 862 1 33 ARG QB 1 34 GLN H 1.800 . 4.070 2.739 2.515 3.020 . 0 0 "[ . 1 . 2]" 1 863 1 33 ARG QB 1 35 ALA H 1.800 . 4.880 4.659 4.476 4.860 . 0 0 "[ . 1 . 2]" 1 864 1 33 ARG HB3 1 33 ARG QD 1.800 . 4.130 2.536 2.245 3.115 . 0 0 "[ . 1 . 2]" 1 865 1 33 ARG HB3 1 36 GLU H 1.800 . 5.500 4.818 4.546 5.065 . 0 0 "[ . 1 . 2]" 1 866 1 33 ARG HB2 1 33 ARG QD 1.800 . 4.130 2.933 2.265 3.546 . 0 0 "[ . 1 . 2]" 1 867 1 33 ARG HB2 1 36 GLU H 1.800 . 5.500 5.132 4.966 5.315 . 0 0 "[ . 1 . 2]" 1 868 1 33 ARG H 1 33 ARG HB3 1.800 . 3.700 3.592 3.536 3.619 . 0 0 "[ . 1 . 2]" 1 869 1 33 ARG H 1 33 ARG HB2 1.800 . 3.700 2.456 2.270 2.654 . 0 0 "[ . 1 . 2]" 1 870 1 33 ARG H 1 33 ARG QD 1.800 . 4.380 3.848 3.179 4.374 . 0 0 "[ . 1 . 2]" 1 871 1 33 ARG H 1 33 ARG HG3 1.800 . 3.670 2.938 1.997 3.817 0.147 17 0 "[ . 1 . 2]" 1 872 1 33 ARG H 1 33 ARG HG2 1.800 . 3.670 2.962 2.249 3.733 0.063 11 0 "[ . 1 . 2]" 1 873 1 33 ARG H 1 34 GLN QB 1.800 . 5.060 4.432 4.191 4.729 . 0 0 "[ . 1 . 2]" 1 874 1 33 ARG H 1 35 ALA MB 1.800 . 4.920 4.853 4.590 4.994 0.074 1 0 "[ . 1 . 2]" 1 875 1 33 ARG H 1 35 ALA H 1.800 . 4.510 3.980 3.800 4.198 . 0 0 "[ . 1 . 2]" 1 876 1 34 GLN HA 1 35 ALA H 1.800 . 3.490 3.498 3.454 3.534 0.044 7 0 "[ . 1 . 2]" 1 877 1 34 GLN HA 1 36 GLU H 1.800 . 5.000 3.733 3.532 3.887 . 0 0 "[ . 1 . 2]" 1 878 1 34 GLN QB 1 35 ALA MB 1.800 . 5.500 3.746 3.654 3.895 . 0 0 "[ . 1 . 2]" 1 879 1 34 GLN HB3 1 35 ALA H 1.800 . 4.280 3.031 2.517 3.950 . 0 0 "[ . 1 . 2]" 1 880 1 34 GLN HB2 1 35 ALA H 1.800 . 4.280 3.531 2.703 3.959 . 0 0 "[ . 1 . 2]" 1 881 1 34 GLN HE21 1 44 LEU MD2 1.800 . 5.840 5.561 4.672 5.949 0.109 3 0 "[ . 1 . 2]" 1 882 1 34 GLN HE21 1 34 GLN QG 1.800 . 3.110 2.733 2.228 2.822 . 0 0 "[ . 1 . 2]" 1 883 1 34 GLN H 1 35 ALA H 1.800 . 2.970 2.534 2.389 2.686 . 0 0 "[ . 1 . 2]" 1 884 1 34 GLN H 1 44 LEU MD2 1.800 . 5.430 5.149 4.876 5.438 0.008 10 0 "[ . 1 . 2]" 1 885 1 35 ALA HA 1 36 GLU QG 1.800 . 5.000 3.891 3.535 4.652 . 0 0 "[ . 1 . 2]" 1 886 1 35 ALA MB 1 36 GLU QB 1.800 . 4.670 4.307 4.191 4.388 . 0 0 "[ . 1 . 2]" 1 887 1 35 ALA MB 1 36 GLU H 1.800 . 3.540 3.139 3.037 3.232 . 0 0 "[ . 1 . 2]" 1 888 1 35 ALA MB 1 37 GLN QB 1.800 . 4.570 3.546 2.994 3.891 . 0 0 "[ . 1 . 2]" 1 889 1 35 ALA MB 1 37 GLN QE 1.800 . 3.290 3.201 2.105 3.488 0.198 13 0 "[ . 1 . 2]" 1 890 1 35 ALA MB 1 37 GLN QG 1.800 . 3.140 2.144 1.923 2.413 . 0 0 "[ . 1 . 2]" 1 891 1 35 ALA MB 1 37 GLN H 1.800 . 4.350 3.174 2.847 3.677 . 0 0 "[ . 1 . 2]" 1 892 1 35 ALA MB 1 44 LEU MD1 1.800 . 4.330 3.775 3.215 4.340 0.010 14 0 "[ . 1 . 2]" 1 893 1 35 ALA MB 1 44 LEU MD2 1.800 . 4.190 2.967 2.482 3.503 . 0 0 "[ . 1 . 2]" 1 894 1 35 ALA H 1 36 GLU HA 1.800 . 4.990 4.605 4.370 4.721 . 0 0 "[ . 1 . 2]" 1 895 1 35 ALA H 1 36 GLU QG 1.800 . 4.760 4.515 4.322 4.799 0.039 1 0 "[ . 1 . 2]" 1 896 1 35 ALA H 1 36 GLU H 1.800 . 2.850 2.381 2.217 2.462 . 0 0 "[ . 1 . 2]" 1 897 1 35 ALA H 1 37 GLN QG 1.800 . 5.110 3.975 3.720 4.263 . 0 0 "[ . 1 . 2]" 1 898 1 36 GLU HA 1 36 GLU QG 1.800 . 2.740 2.452 2.286 2.787 0.047 3 0 "[ . 1 . 2]" 1 899 1 36 GLU HA 1 37 GLN H 1.800 . 3.040 2.785 2.514 2.983 . 0 0 "[ . 1 . 2]" 1 900 1 36 GLU QB 1 37 GLN QG 1.800 . 5.220 4.815 4.360 5.114 . 0 0 "[ . 1 . 2]" 1 901 1 36 GLU QB 1 37 GLN H 1.800 . 4.250 3.840 3.732 3.912 . 0 0 "[ . 1 . 2]" 1 902 1 36 GLU QG 1 37 GLN H 1.800 . 4.700 4.529 4.438 4.739 0.039 1 0 "[ . 1 . 2]" 1 903 1 36 GLU H 1 36 GLU HA 1.800 . 2.560 2.257 2.246 2.278 . 0 0 "[ . 1 . 2]" 1 904 1 36 GLU H 1 36 GLU QG 1.800 . 2.920 2.846 2.711 2.971 0.051 3 0 "[ . 1 . 2]" 1 905 1 36 GLU H 1 37 GLN HA 1.800 . 5.500 5.256 5.180 5.392 . 0 0 "[ . 1 . 2]" 1 906 1 36 GLU H 1 37 GLN QB 1.800 . 5.500 4.961 4.824 5.069 . 0 0 "[ . 1 . 2]" 1 907 1 36 GLU H 1 37 GLN QG 1.800 . 5.500 3.815 3.506 4.015 . 0 0 "[ . 1 . 2]" 1 908 1 36 GLU H 1 37 GLN H 1.800 . 3.010 2.628 2.514 2.855 . 0 0 "[ . 1 . 2]" 1 909 1 37 GLN HA 1 37 GLN HG3 1.800 . 4.080 3.816 3.773 3.870 . 0 0 "[ . 1 . 2]" 1 910 1 37 GLN HA 1 37 GLN HG2 1.800 . 4.080 3.700 3.618 3.781 . 0 0 "[ . 1 . 2]" 1 911 1 37 GLN HA 1 38 ASP H 1.800 . 2.560 2.331 2.189 2.524 . 0 0 "[ . 1 . 2]" 1 912 1 37 GLN QB 1 37 GLN QE 1.800 . 4.600 3.145 1.761 3.469 0.039 18 0 "[ . 1 . 2]" 1 913 1 37 GLN QB 1 38 ASP QB 1.800 . 5.140 4.541 4.336 4.831 . 0 0 "[ . 1 . 2]" 1 914 1 37 GLN QB 1 39 ILE H 1.800 . 3.130 2.544 2.332 2.811 . 0 0 "[ . 1 . 2]" 1 915 1 37 GLN QE 1 39 ILE MG 1.800 . 5.220 4.420 3.825 5.268 0.048 18 0 "[ . 1 . 2]" 1 916 1 37 GLN QE 1 40 VAL HA 1.800 . 4.970 3.206 2.627 4.474 . 0 0 "[ . 1 . 2]" 1 917 1 37 GLN QE 1 41 THR MG 1.800 . 4.640 3.014 2.444 3.556 . 0 0 "[ . 1 . 2]" 1 918 1 37 GLN QE 1 41 THR H 1.800 . 4.340 3.539 2.851 4.371 0.031 2 0 "[ . 1 . 2]" 1 919 1 37 GLN QE 1 44 LEU MD1 1.800 . 5.120 3.375 2.806 3.925 . 0 0 "[ . 1 . 2]" 1 920 1 37 GLN QE 1 44 LEU MD2 1.800 . 4.610 2.806 2.010 3.581 . 0 0 "[ . 1 . 2]" 1 921 1 37 GLN HE21 1 44 LEU MD2 1.800 . 5.390 3.053 2.117 4.531 . 0 0 "[ . 1 . 2]" 1 922 1 37 GLN HE22 1 44 LEU MD2 1.800 . 5.390 3.443 2.505 4.098 . 0 0 "[ . 1 . 2]" 1 923 1 37 GLN QG 1 44 LEU MD2 1.800 . 4.940 3.588 3.005 4.051 . 0 0 "[ . 1 . 2]" 1 924 1 37 GLN HG3 1 38 ASP H 1.800 . 4.610 3.963 3.461 4.423 . 0 0 "[ . 1 . 2]" 1 925 1 37 GLN HG3 1 39 ILE HB 1.800 . 5.500 4.327 3.646 4.911 . 0 0 "[ . 1 . 2]" 1 926 1 37 GLN HG3 1 39 ILE H 1.800 . 4.740 3.026 2.602 3.476 . 0 0 "[ . 1 . 2]" 1 927 1 37 GLN HG2 1 39 ILE H 1.800 . 4.740 4.514 4.180 4.801 0.061 13 0 "[ . 1 . 2]" 1 928 1 37 GLN H 1 37 GLN HB3 1.800 . 3.960 3.212 2.927 3.492 . 0 0 "[ . 1 . 2]" 1 929 1 37 GLN H 1 37 GLN HB2 1.800 . 3.960 3.809 3.680 3.939 . 0 0 "[ . 1 . 2]" 1 930 1 37 GLN H 1 37 GLN QG 1.800 . 3.300 2.170 1.878 2.466 . 0 0 "[ . 1 . 2]" 1 931 1 38 ASP HA 1 39 ILE H 1.800 . 3.410 3.299 3.053 3.442 0.032 8 0 "[ . 1 . 2]" 1 932 1 38 ASP QB 1 39 ILE HB 1.800 . 5.170 4.889 4.497 5.213 0.043 19 0 "[ . 1 . 2]" 1 933 1 38 ASP HB3 1 39 ILE QG 1.800 . 5.070 3.720 2.896 4.658 . 0 0 "[ . 1 . 2]" 1 934 1 38 ASP HB3 1 39 ILE H 1.800 . 4.530 3.940 2.965 4.419 . 0 0 "[ . 1 . 2]" 1 935 1 38 ASP HB2 1 39 ILE QG 1.800 . 5.070 3.292 2.468 4.581 . 0 0 "[ . 1 . 2]" 1 936 1 38 ASP HB2 1 39 ILE H 1.800 . 4.530 3.552 2.973 4.173 . 0 0 "[ . 1 . 2]" 1 937 1 38 ASP H 1 38 ASP HB3 1.800 . 3.810 3.426 2.494 3.680 . 0 0 "[ . 1 . 2]" 1 938 1 38 ASP H 1 38 ASP HB2 1.800 . 3.810 2.522 2.334 2.887 . 0 0 "[ . 1 . 2]" 1 939 1 38 ASP H 1 39 ILE HB 1.800 . 4.530 4.417 4.263 4.542 0.012 16 0 "[ . 1 . 2]" 1 940 1 38 ASP H 1 39 ILE MD 1.800 . 4.430 4.460 4.135 4.532 0.102 10 0 "[ . 1 . 2]" 1 941 1 38 ASP H 1 39 ILE HG13 1.800 . 5.500 3.498 3.343 4.875 . 0 0 "[ . 1 . 2]" 1 942 1 38 ASP H 1 39 ILE HG12 1.800 . 5.500 4.967 3.172 5.236 . 0 0 "[ . 1 . 2]" 1 943 1 38 ASP H 1 39 ILE MG 1.800 . 5.500 5.472 5.361 5.531 0.031 16 0 "[ . 1 . 2]" 1 944 1 38 ASP H 1 39 ILE H 1.800 . 2.730 2.242 2.014 2.582 . 0 0 "[ . 1 . 2]" 1 945 1 39 ILE HA 1 39 ILE MD 1.800 . 4.090 3.793 2.112 3.907 . 0 0 "[ . 1 . 2]" 1 946 1 39 ILE HA 1 39 ILE HG13 1.800 . 4.040 3.065 2.943 3.787 . 0 0 "[ . 1 . 2]" 1 947 1 39 ILE HA 1 39 ILE HG12 1.800 . 4.040 2.664 2.583 3.206 . 0 0 "[ . 1 . 2]" 1 948 1 39 ILE HA 1 39 ILE MG 1.800 . 3.390 2.358 2.324 2.388 . 0 0 "[ . 1 . 2]" 1 949 1 39 ILE HA 1 40 VAL MG1 1.800 . 4.410 3.646 3.534 3.753 . 0 0 "[ . 1 . 2]" 1 950 1 39 ILE HA 1 40 VAL H 1.800 . 2.630 2.181 2.144 2.210 . 0 0 "[ . 1 . 2]" 1 951 1 39 ILE HB 1 39 ILE MD 1.800 . 3.280 2.428 2.363 3.234 . 0 0 "[ . 1 . 2]" 1 952 1 39 ILE HB 1 40 VAL H 1.800 . 4.580 4.143 3.999 4.328 . 0 0 "[ . 1 . 2]" 1 953 1 39 ILE HB 1 41 THR MG 1.800 . 4.980 4.278 4.047 4.513 . 0 0 "[ . 1 . 2]" 1 954 1 39 ILE MD 1 40 VAL H 1.800 . 5.460 5.123 3.900 5.420 . 0 0 "[ . 1 . 2]" 1 955 1 39 ILE HG13 1 39 ILE MG 1.800 . 3.880 3.156 2.331 3.204 . 0 0 "[ . 1 . 2]" 1 956 1 39 ILE HG12 1 39 ILE MG 1.800 . 3.880 2.387 2.326 3.200 . 0 0 "[ . 1 . 2]" 1 957 1 39 ILE MG 1 40 VAL HA 1.800 . 4.480 3.871 3.676 4.228 . 0 0 "[ . 1 . 2]" 1 958 1 39 ILE MG 1 40 VAL MG2 1.800 . 4.660 3.770 3.636 4.005 . 0 0 "[ . 1 . 2]" 1 959 1 39 ILE MG 1 40 VAL H 1.800 . 5.000 2.693 2.443 3.082 . 0 0 "[ . 1 . 2]" 1 960 1 39 ILE MG 1 41 THR HA 1.800 . 4.560 3.988 3.702 4.199 . 0 0 "[ . 1 . 2]" 1 961 1 39 ILE MG 1 41 THR MG 1.800 . 3.400 3.238 2.978 3.437 0.037 6 0 "[ . 1 . 2]" 1 962 1 39 ILE MG 1 41 THR H 1.800 . 4.960 4.414 4.078 4.668 . 0 0 "[ . 1 . 2]" 1 963 1 39 ILE MG 1 42 PRO QD 1.800 . 5.500 5.041 4.798 5.288 . 0 0 "[ . 1 . 2]" 1 964 1 39 ILE H 1 39 ILE HB 1.800 . 3.020 2.602 2.500 2.707 . 0 0 "[ . 1 . 2]" 1 965 1 39 ILE H 1 39 ILE MD 1.800 . 4.330 3.735 3.328 4.055 . 0 0 "[ . 1 . 2]" 1 966 1 39 ILE H 1 39 ILE HG13 1.800 . 4.500 2.577 2.108 3.833 . 0 0 "[ . 1 . 2]" 1 967 1 39 ILE H 1 39 ILE HG12 1.800 . 4.500 3.699 2.391 3.986 . 0 0 "[ . 1 . 2]" 1 968 1 39 ILE H 1 39 ILE MG 1.800 . 3.900 3.827 3.780 3.877 . 0 0 "[ . 1 . 2]" 1 969 1 39 ILE H 1 40 VAL HA 1.800 . 5.160 4.931 4.708 5.151 . 0 0 "[ . 1 . 2]" 1 970 1 39 ILE H 1 40 VAL MG1 1.800 . 4.760 4.689 4.451 4.779 0.019 16 0 "[ . 1 . 2]" 1 971 1 39 ILE H 1 40 VAL H 1.800 . 4.470 4.400 4.211 4.495 0.025 8 0 "[ . 1 . 2]" 1 972 1 40 VAL HA 1 40 VAL MG1 1.800 . 3.210 2.419 2.387 2.482 . 0 0 "[ . 1 . 2]" 1 973 1 40 VAL HA 1 40 VAL MG2 1.800 . 3.300 3.210 3.201 3.217 . 0 0 "[ . 1 . 2]" 1 974 1 40 VAL HA 1 41 THR MG 1.800 . 4.700 3.804 3.604 4.057 . 0 0 "[ . 1 . 2]" 1 975 1 40 VAL HA 1 41 THR H 1.800 . 2.510 2.165 2.098 2.207 . 0 0 "[ . 1 . 2]" 1 976 1 40 VAL HA 1 44 LEU HB3 1.800 . 4.910 4.816 4.439 4.962 0.052 18 0 "[ . 1 . 2]" 1 977 1 40 VAL HA 1 44 LEU HB2 1.800 . 4.910 3.962 3.666 4.243 . 0 0 "[ . 1 . 2]" 1 978 1 40 VAL HA 1 44 LEU MD1 1.800 . 5.000 4.331 3.764 4.938 . 0 0 "[ . 1 . 2]" 1 979 1 40 VAL HA 1 44 LEU MD2 1.800 . 3.190 2.800 2.304 3.224 0.034 3 0 "[ . 1 . 2]" 1 980 1 40 VAL HB 1 44 LEU QB 1.800 . 4.360 3.161 2.890 3.483 . 0 0 "[ . 1 . 2]" 1 981 1 40 VAL HB 1 45 VAL MG2 1.800 . 4.730 3.335 3.037 3.561 . 0 0 "[ . 1 . 2]" 1 982 1 40 VAL MG2 1 41 THR HA 1.800 . 4.700 3.903 3.743 4.068 . 0 0 "[ . 1 . 2]" 1 983 1 40 VAL MG2 1 42 PRO HA 1.800 . 4.780 4.841 4.814 4.882 0.102 19 0 "[ . 1 . 2]" 1 984 1 40 VAL MG2 1 45 VAL HB 1.800 . 5.500 5.370 5.129 5.522 0.022 1 0 "[ . 1 . 2]" 1 985 1 40 VAL MG2 1 45 VAL MG2 1.800 . 3.210 2.901 2.729 3.032 . 0 0 "[ . 1 . 2]" 1 986 1 40 VAL H 1 40 VAL HB 1.800 . 3.750 3.735 3.678 3.770 0.020 11 0 "[ . 1 . 2]" 1 987 1 40 VAL H 1 40 VAL MG1 1.800 . 3.060 2.430 2.231 2.545 . 0 0 "[ . 1 . 2]" 1 988 1 40 VAL H 1 40 VAL MG2 1.800 . 3.950 2.153 2.088 2.299 . 0 0 "[ . 1 . 2]" 1 989 1 40 VAL H 1 41 THR H 1.800 . 4.540 4.490 4.436 4.541 0.001 6 0 "[ . 1 . 2]" 1 990 1 41 THR HA 1 41 THR MG 1.800 . 2.970 2.286 2.207 2.368 . 0 0 "[ . 1 . 2]" 1 991 1 41 THR HA 1 42 PRO HD3 1.800 . 3.180 2.554 2.100 2.644 . 0 0 "[ . 1 . 2]" 1 992 1 41 THR HA 1 42 PRO HD2 1.800 . 3.180 2.385 2.289 2.696 . 0 0 "[ . 1 . 2]" 1 993 1 41 THR HA 1 42 PRO HG3 1.800 . 4.940 4.625 4.285 4.705 . 0 0 "[ . 1 . 2]" 1 994 1 41 THR HA 1 42 PRO HG2 1.800 . 4.940 4.522 4.445 4.591 . 0 0 "[ . 1 . 2]" 1 995 1 41 THR HA 1 43 GLU H 1.800 . 5.160 4.126 3.929 4.520 . 0 0 "[ . 1 . 2]" 1 996 1 41 THR HA 1 44 LEU H 1.800 . 4.890 4.775 4.578 4.907 0.017 6 0 "[ . 1 . 2]" 1 997 1 41 THR HB 1 42 PRO QB 1.800 . 5.500 4.654 4.264 4.795 . 0 0 "[ . 1 . 2]" 1 998 1 41 THR HB 1 42 PRO HD3 1.800 . 4.340 3.534 3.285 3.717 . 0 0 "[ . 1 . 2]" 1 999 1 41 THR HB 1 42 PRO HD2 1.800 . 4.340 1.986 1.820 2.174 . 0 0 "[ . 1 . 2]" 1 1000 1 41 THR HB 1 43 GLU QB 1.800 . 4.640 3.500 2.910 4.722 0.082 7 0 "[ . 1 . 2]" 1 1001 1 41 THR HB 1 43 GLU H 1.800 . 3.500 2.592 2.411 2.976 . 0 0 "[ . 1 . 2]" 1 1002 1 41 THR HB 1 44 LEU MD2 1.800 . 5.500 5.311 4.883 5.520 0.020 10 0 "[ . 1 . 2]" 1 1003 1 41 THR MG 1 42 PRO HD3 1.800 . 4.330 3.799 3.400 4.061 . 0 0 "[ . 1 . 2]" 1 1004 1 41 THR MG 1 42 PRO HD2 1.800 . 4.330 2.839 2.520 3.164 . 0 0 "[ . 1 . 2]" 1 1005 1 41 THR MG 1 43 GLU H 1.800 . 5.090 4.210 4.057 4.540 . 0 0 "[ . 1 . 2]" 1 1006 1 41 THR MG 1 44 LEU MD1 1.800 . 5.000 3.688 3.259 4.187 . 0 0 "[ . 1 . 2]" 1 1007 1 41 THR H 1 41 THR MG 1.800 . 3.030 2.759 2.507 3.046 0.016 3 0 "[ . 1 . 2]" 1 1008 1 41 THR H 1 43 GLU H 1.800 . 5.280 4.769 4.493 5.145 . 0 0 "[ . 1 . 2]" 1 1009 1 41 THR H 1 44 LEU HB3 1.800 . 4.660 4.262 3.643 4.507 . 0 0 "[ . 1 . 2]" 1 1010 1 41 THR H 1 44 LEU HB2 1.800 . 4.660 2.778 2.409 2.988 . 0 0 "[ . 1 . 2]" 1 1011 1 41 THR H 1 44 LEU MD1 1.800 . 3.860 3.035 2.527 3.656 . 0 0 "[ . 1 . 2]" 1 1012 1 41 THR H 1 44 LEU MD2 1.800 . 3.200 2.699 2.289 3.011 . 0 0 "[ . 1 . 2]" 1 1013 1 41 THR H 1 44 LEU H 1.800 . 3.930 3.676 3.452 4.011 0.081 3 0 "[ . 1 . 2]" 1 1014 1 42 PRO HA 1 44 LEU H 1.800 . 4.910 4.381 4.221 4.595 . 0 0 "[ . 1 . 2]" 1 1015 1 42 PRO HA 1 45 VAL HB 1.800 . 3.700 2.620 2.288 2.988 . 0 0 "[ . 1 . 2]" 1 1016 1 42 PRO HA 1 45 VAL MG1 1.800 . 4.870 3.916 3.564 4.241 . 0 0 "[ . 1 . 2]" 1 1017 1 42 PRO HA 1 45 VAL MG2 1.800 . 3.110 2.535 2.276 2.782 . 0 0 "[ . 1 . 2]" 1 1018 1 42 PRO HA 1 45 VAL H 1.800 . 3.730 3.323 3.134 3.510 . 0 0 "[ . 1 . 2]" 1 1019 1 42 PRO QB 1 43 GLU H 1.800 . 4.130 3.195 2.736 3.362 . 0 0 "[ . 1 . 2]" 1 1020 1 42 PRO QB 1 45 VAL MG2 1.800 . 4.900 4.007 3.706 4.238 . 0 0 "[ . 1 . 2]" 1 1021 1 42 PRO QB 1 46 GLU QB 1.800 . 5.500 4.194 3.917 4.954 . 0 0 "[ . 1 . 2]" 1 1022 1 42 PRO QD 1 43 GLU QB 1.800 . 5.070 4.519 4.043 5.085 0.015 7 0 "[ . 1 . 2]" 1 1023 1 42 PRO HD3 1 43 GLU H 1.800 . 4.160 4.029 3.956 4.177 0.017 3 0 "[ . 1 . 2]" 1 1024 1 42 PRO HD2 1 43 GLU H 1.800 . 4.160 3.006 2.920 3.202 . 0 0 "[ . 1 . 2]" 1 1025 1 42 PRO HG3 1 43 GLU H 1.800 . 4.840 4.156 3.978 4.670 . 0 0 "[ . 1 . 2]" 1 1026 1 42 PRO HG2 1 43 GLU H 1.800 . 4.840 2.722 2.449 4.153 . 0 0 "[ . 1 . 2]" 1 1027 1 43 GLU HA 1 43 GLU QG 1.800 . 3.400 2.732 2.330 3.477 0.077 3 0 "[ . 1 . 2]" 1 1028 1 43 GLU HA 1 45 VAL H 1.800 . 4.840 4.425 4.048 4.649 . 0 0 "[ . 1 . 2]" 1 1029 1 43 GLU HA 1 46 GLU QB 1.800 . 4.350 2.883 2.029 3.716 . 0 0 "[ . 1 . 2]" 1 1030 1 43 GLU HA 1 46 GLU H 1.800 . 4.210 3.534 3.008 3.935 . 0 0 "[ . 1 . 2]" 1 1031 1 43 GLU HA 1 47 GLN H 1.800 . 4.830 3.951 3.642 4.260 . 0 0 "[ . 1 . 2]" 1 1032 1 43 GLU QB 1 44 LEU MD1 1.800 . 4.690 2.736 2.263 4.127 . 0 0 "[ . 1 . 2]" 1 1033 1 43 GLU HB3 1 44 LEU H 1.800 . 4.480 3.387 2.251 4.376 . 0 0 "[ . 1 . 2]" 1 1034 1 43 GLU HB2 1 44 LEU H 1.800 . 4.480 2.986 2.164 4.145 . 0 0 "[ . 1 . 2]" 1 1035 1 43 GLU H 1 43 GLU HB3 1.800 . 3.700 3.224 2.340 3.623 . 0 0 "[ . 1 . 2]" 1 1036 1 43 GLU H 1 43 GLU HB2 1.800 . 3.700 2.661 2.329 3.662 . 0 0 "[ . 1 . 2]" 1 1037 1 43 GLU H 1 43 GLU QG 1.800 . 5.000 2.796 1.749 3.957 0.051 7 0 "[ . 1 . 2]" 1 1038 1 43 GLU H 1 44 LEU H 1.800 . 3.280 2.685 2.454 2.836 . 0 0 "[ . 1 . 2]" 1 1039 1 43 GLU H 1 45 VAL MG2 1.800 . 5.400 4.582 4.421 4.736 . 0 0 "[ . 1 . 2]" 1 1040 1 43 GLU H 1 45 VAL H 1.800 . 4.610 4.023 3.893 4.154 . 0 0 "[ . 1 . 2]" 1 1041 1 44 LEU HA 1 44 LEU MD2 1.800 . 3.790 3.785 3.756 3.805 0.015 5 0 "[ . 1 . 2]" 1 1042 1 44 LEU HA 1 44 LEU HG 1.800 . 3.920 2.499 2.410 2.552 . 0 0 "[ . 1 . 2]" 1 1043 1 44 LEU HA 1 45 VAL MG2 1.800 . 5.300 4.945 4.900 5.009 . 0 0 "[ . 1 . 2]" 1 1044 1 44 LEU HA 1 47 GLN QB 1.800 . 3.410 2.306 2.091 2.570 . 0 0 "[ . 1 . 2]" 1 1045 1 44 LEU HA 1 47 GLN QG 1.800 . 4.510 3.467 2.809 4.089 . 0 0 "[ . 1 . 2]" 1 1046 1 44 LEU HA 1 47 GLN H 1.800 . 3.560 3.346 3.202 3.443 . 0 0 "[ . 1 . 2]" 1 1047 1 44 LEU HB3 1 44 LEU MD1 1.800 . 3.880 3.208 3.198 3.213 . 0 0 "[ . 1 . 2]" 1 1048 1 44 LEU HB3 1 44 LEU MD2 1.800 . 3.460 2.335 2.297 2.373 . 0 0 "[ . 1 . 2]" 1 1049 1 44 LEU HB3 1 45 VAL H 1.800 . 3.900 3.330 2.973 3.479 . 0 0 "[ . 1 . 2]" 1 1050 1 44 LEU HB2 1 44 LEU MD1 1.800 . 3.880 2.407 2.351 2.460 . 0 0 "[ . 1 . 2]" 1 1051 1 44 LEU HB2 1 44 LEU MD2 1.800 . 3.460 2.361 2.315 2.430 . 0 0 "[ . 1 . 2]" 1 1052 1 44 LEU HB2 1 45 VAL H 1.800 . 3.900 2.843 2.717 2.945 . 0 0 "[ . 1 . 2]" 1 1053 1 44 LEU MD1 1 45 VAL H 1.800 . 5.150 4.209 4.107 4.418 . 0 0 "[ . 1 . 2]" 1 1054 1 44 LEU MD1 1 47 GLN QB 1.800 . 5.140 3.880 3.465 4.342 . 0 0 "[ . 1 . 2]" 1 1055 1 44 LEU MD1 1 47 GLN QG 1.800 . 4.310 4.118 3.588 4.359 0.049 12 0 "[ . 1 . 2]" 1 1056 1 44 LEU MD1 1 47 GLN H 1.800 . 5.500 4.978 4.766 5.141 . 0 0 "[ . 1 . 2]" 1 1057 1 44 LEU MD2 1 45 VAL H 1.800 . 5.280 4.709 4.594 4.812 . 0 0 "[ . 1 . 2]" 1 1058 1 44 LEU HG 1 45 VAL H 1.800 . 5.360 5.106 4.954 5.177 . 0 0 "[ . 1 . 2]" 1 1059 1 44 LEU H 1 44 LEU HB3 1.800 . 3.530 3.493 3.350 3.529 . 0 0 "[ . 1 . 2]" 1 1060 1 44 LEU H 1 44 LEU HB2 1.800 . 3.530 2.203 2.087 2.251 . 0 0 "[ . 1 . 2]" 1 1061 1 44 LEU H 1 44 LEU MD1 1.800 . 3.770 2.370 2.176 2.807 . 0 0 "[ . 1 . 2]" 1 1062 1 44 LEU H 1 44 LEU MD2 1.800 . 4.070 3.883 3.787 4.079 0.009 3 0 "[ . 1 . 2]" 1 1063 1 44 LEU H 1 44 LEU HG 1.800 . 4.270 4.042 3.905 4.323 0.053 4 0 "[ . 1 . 2]" 1 1064 1 44 LEU H 1 45 VAL HA 1.800 . 5.300 5.211 5.144 5.297 . 0 0 "[ . 1 . 2]" 1 1065 1 44 LEU H 1 45 VAL HB 1.800 . 5.110 4.842 4.676 4.975 . 0 0 "[ . 1 . 2]" 1 1066 1 44 LEU H 1 45 VAL MG2 1.800 . 5.000 3.878 3.776 3.989 . 0 0 "[ . 1 . 2]" 1 1067 1 44 LEU H 1 45 VAL H 1.800 . 2.870 2.582 2.496 2.695 . 0 0 "[ . 1 . 2]" 1 1068 1 44 LEU H 1 46 GLU H 1.800 . 4.840 4.170 3.901 4.439 . 0 0 "[ . 1 . 2]" 1 1069 1 45 VAL HA 1 45 VAL MG1 1.800 . 2.750 2.380 2.327 2.444 . 0 0 "[ . 1 . 2]" 1 1070 1 45 VAL HA 1 45 VAL MG2 1.800 . 3.080 2.412 2.355 2.463 . 0 0 "[ . 1 . 2]" 1 1071 1 45 VAL HA 1 47 GLN H 1.800 . 4.740 4.535 4.236 4.707 . 0 0 "[ . 1 . 2]" 1 1072 1 45 VAL HA 1 48 ALA MB 1.800 . 3.610 3.067 2.702 3.493 . 0 0 "[ . 1 . 2]" 1 1073 1 45 VAL HA 1 48 ALA H 1.800 . 3.970 3.688 3.470 3.990 0.020 6 0 "[ . 1 . 2]" 1 1074 1 45 VAL HA 1 49 ARG H 1.800 . 4.930 4.473 4.153 4.801 . 0 0 "[ . 1 . 2]" 1 1075 1 45 VAL HB 1 46 GLU H 1.800 . 2.970 2.448 2.317 2.524 . 0 0 "[ . 1 . 2]" 1 1076 1 45 VAL MG1 1 46 GLU H 1.800 . 3.840 3.398 3.133 3.528 . 0 0 "[ . 1 . 2]" 1 1077 1 45 VAL MG1 1 48 ALA MB 1.800 . 5.050 3.885 3.570 4.397 . 0 0 "[ . 1 . 2]" 1 1078 1 45 VAL MG1 1 49 ARG QB 1.800 . 4.520 3.602 3.310 3.896 . 0 0 "[ . 1 . 2]" 1 1079 1 45 VAL MG1 1 49 ARG H 1.800 . 4.890 4.374 4.156 4.613 . 0 0 "[ . 1 . 2]" 1 1080 1 45 VAL MG2 1 46 GLU H 1.800 . 3.920 3.697 3.632 3.771 . 0 0 "[ . 1 . 2]" 1 1081 1 45 VAL H 1 45 VAL HB 1.800 . 2.840 2.596 2.515 2.658 . 0 0 "[ . 1 . 2]" 1 1082 1 45 VAL H 1 45 VAL MG1 1.800 . 3.800 3.772 3.758 3.783 . 0 0 "[ . 1 . 2]" 1 1083 1 45 VAL H 1 45 VAL MG2 1.800 . 2.700 1.985 1.912 2.055 . 0 0 "[ . 1 . 2]" 1 1084 1 45 VAL H 1 46 GLU H 1.800 . 3.050 2.710 2.629 2.849 . 0 0 "[ . 1 . 2]" 1 1085 1 45 VAL H 1 47 GLN H 1.800 . 4.310 4.054 3.825 4.310 . 0 0 "[ . 1 . 2]" 1 1086 1 46 GLU HA 1 46 GLU QG 1.800 . 3.740 2.646 2.297 3.328 . 0 0 "[ . 1 . 2]" 1 1087 1 46 GLU HA 1 48 ALA H 1.800 . 5.070 4.491 4.218 4.756 . 0 0 "[ . 1 . 2]" 1 1088 1 46 GLU HA 1 49 ARG HB3 1.800 . 4.320 2.618 2.227 3.055 . 0 0 "[ . 1 . 2]" 1 1089 1 46 GLU HA 1 49 ARG HB2 1.800 . 4.320 3.247 2.423 3.994 . 0 0 "[ . 1 . 2]" 1 1090 1 46 GLU HA 1 49 ARG H 1.800 . 3.960 3.307 2.869 3.643 . 0 0 "[ . 1 . 2]" 1 1091 1 46 GLU QB 1 47 GLN H 1.800 . 3.720 2.536 2.186 3.662 . 0 0 "[ . 1 . 2]" 1 1092 1 46 GLU QB 1 50 LEU MD2 1.800 . 4.810 4.502 3.816 4.894 0.084 4 0 "[ . 1 . 2]" 1 1093 1 46 GLU QG 1 47 GLN H 1.800 . 4.580 3.687 2.599 4.040 . 0 0 "[ . 1 . 2]" 1 1094 1 46 GLU QG 1 50 LEU HB3 1.800 . 5.430 5.204 4.737 5.497 0.067 7 0 "[ . 1 . 2]" 1 1095 1 46 GLU QG 1 50 LEU HB2 1.800 . 5.430 3.696 3.182 4.102 . 0 0 "[ . 1 . 2]" 1 1096 1 46 GLU QG 1 50 LEU MD2 1.800 . 3.540 2.850 2.071 3.620 0.080 3 0 "[ . 1 . 2]" 1 1097 1 46 GLU H 1 46 GLU QB 1.800 . 2.890 2.234 2.158 2.444 . 0 0 "[ . 1 . 2]" 1 1098 1 46 GLU H 1 46 GLU QG 1.800 . 4.420 3.932 2.422 4.058 . 0 0 "[ . 1 . 2]" 1 1099 1 46 GLU H 1 47 GLN HA 1.800 . 5.410 5.246 5.072 5.421 0.011 4 0 "[ . 1 . 2]" 1 1100 1 46 GLU H 1 47 GLN H 1.800 . 3.230 2.652 2.470 2.872 . 0 0 "[ . 1 . 2]" 1 1101 1 46 GLU H 1 48 ALA MB 1.800 . 5.500 5.020 4.845 5.298 . 0 0 "[ . 1 . 2]" 1 1102 1 47 GLN HA 1 47 GLN HG3 1.800 . 3.870 3.508 3.094 3.689 . 0 0 "[ . 1 . 2]" 1 1103 1 47 GLN HA 1 47 GLN HG2 1.800 . 3.870 2.854 2.293 3.833 . 0 0 "[ . 1 . 2]" 1 1104 1 47 GLN HA 1 50 LEU HB3 1.800 . 4.240 3.500 2.670 4.198 . 0 0 "[ . 1 . 2]" 1 1105 1 47 GLN HA 1 50 LEU HB2 1.800 . 4.240 2.672 2.206 3.125 . 0 0 "[ . 1 . 2]" 1 1106 1 47 GLN HA 1 50 LEU MD2 1.800 . 4.610 4.186 3.402 4.693 0.083 6 0 "[ . 1 . 2]" 1 1107 1 47 GLN HA 1 50 LEU H 1.800 . 4.200 3.372 3.111 3.555 . 0 0 "[ . 1 . 2]" 1 1108 1 47 GLN QB 1 47 GLN HE21 1.800 . 4.300 2.717 1.755 4.010 0.045 9 0 "[ . 1 . 2]" 1 1109 1 47 GLN QB 1 47 GLN HE22 1.800 . 5.030 3.761 3.350 4.432 . 0 0 "[ . 1 . 2]" 1 1110 1 47 GLN QB 1 48 ALA MB 1.800 . 4.430 3.763 3.609 3.975 . 0 0 "[ . 1 . 2]" 1 1111 1 47 GLN HB3 1 48 ALA H 1.800 . 4.390 2.766 2.377 3.394 . 0 0 "[ . 1 . 2]" 1 1112 1 47 GLN HB2 1 48 ALA H 1.800 . 5.000 3.243 2.436 3.827 . 0 0 "[ . 1 . 2]" 1 1113 1 47 GLN HE21 1 48 ALA HA 1.800 . 5.110 4.581 2.973 5.203 0.093 19 0 "[ . 1 . 2]" 1 1114 1 47 GLN HE21 1 50 LEU HB3 1.800 . 5.500 4.356 2.523 5.522 0.022 9 0 "[ . 1 . 2]" 1 1115 1 47 GLN HE21 1 50 LEU HB2 1.800 . 5.500 4.690 3.359 5.622 0.122 9 0 "[ . 1 . 2]" 1 1116 1 47 GLN QG 1 48 ALA H 1.800 . 4.840 4.087 3.283 4.543 . 0 0 "[ . 1 . 2]" 1 1117 1 47 GLN H 1 47 GLN HB3 1.800 . 3.520 3.071 2.475 3.572 0.052 16 0 "[ . 1 . 2]" 1 1118 1 47 GLN H 1 47 GLN HB2 1.800 . 3.520 2.299 2.072 2.536 . 0 0 "[ . 1 . 2]" 1 1119 1 47 GLN H 1 47 GLN HG3 1.800 . 5.180 4.188 3.584 4.537 . 0 0 "[ . 1 . 2]" 1 1120 1 47 GLN H 1 47 GLN HG2 1.800 . 5.180 3.662 2.399 4.615 . 0 0 "[ . 1 . 2]" 1 1121 1 47 GLN H 1 48 ALA MB 1.800 . 4.560 4.497 4.342 4.570 0.010 16 0 "[ . 1 . 2]" 1 1122 1 47 GLN H 1 49 ARG H 1.800 . 4.570 4.034 3.756 4.246 . 0 0 "[ . 1 . 2]" 1 1123 1 48 ALA HA 1 50 LEU H 1.800 . 4.680 4.240 3.930 4.601 . 0 0 "[ . 1 . 2]" 1 1124 1 48 ALA HA 1 51 GLU QB 1.800 . 4.770 2.792 2.391 3.944 . 0 0 "[ . 1 . 2]" 1 1125 1 48 ALA HA 1 51 GLU HG3 1.800 . 4.460 2.753 1.995 3.321 . 0 0 "[ . 1 . 2]" 1 1126 1 48 ALA HA 1 51 GLU HG2 1.800 . 4.460 2.936 1.972 4.480 0.020 10 0 "[ . 1 . 2]" 1 1127 1 48 ALA HA 1 52 PHE QD 1.800 . 5.420 4.496 4.152 5.091 . 0 0 "[ . 1 . 2]" 1 1128 1 48 ALA MB 1 49 ARG H 1.800 . 3.390 2.680 2.514 2.784 . 0 0 "[ . 1 . 2]" 1 1129 1 48 ALA MB 1 51 GLU QG 1.800 . 4.720 3.778 3.210 4.369 . 0 0 "[ . 1 . 2]" 1 1130 1 48 ALA MB 1 52 PHE QD 1.800 . 5.030 3.627 3.237 4.128 . 0 0 "[ . 1 . 2]" 1 1131 1 48 ALA H 1 48 ALA MB 1.800 . 2.670 2.239 2.228 2.251 . 0 0 "[ . 1 . 2]" 1 1132 1 48 ALA H 1 49 ARG H 1.800 . 3.190 2.641 2.548 2.725 . 0 0 "[ . 1 . 2]" 1 1133 1 49 ARG HA 1 49 ARG HD3 1.800 . 4.500 4.318 2.840 4.625 0.125 20 0 "[ . 1 . 2]" 1 1134 1 49 ARG HA 1 49 ARG HG3 1.800 . 3.850 2.735 2.478 3.637 . 0 0 "[ . 1 . 2]" 1 1135 1 49 ARG HA 1 49 ARG HG2 1.800 . 3.850 3.062 2.392 3.811 . 0 0 "[ . 1 . 2]" 1 1136 1 49 ARG HA 1 51 GLU H 1.800 . 4.950 4.373 4.203 4.750 . 0 0 "[ . 1 . 2]" 1 1137 1 49 ARG HA 1 52 PHE QB 1.800 . 4.400 3.151 2.808 3.541 . 0 0 "[ . 1 . 2]" 1 1138 1 49 ARG HA 1 52 PHE QD 1.800 . 4.040 2.936 2.271 3.228 . 0 0 "[ . 1 . 2]" 1 1139 1 49 ARG HA 1 52 PHE H 1.800 . 4.490 3.556 3.210 3.845 . 0 0 "[ . 1 . 2]" 1 1140 1 49 ARG HA 1 53 GLY H 1.800 . 5.040 4.211 3.863 4.581 . 0 0 "[ . 1 . 2]" 1 1141 1 49 ARG QB 1 50 LEU H 1.800 . 3.570 2.675 2.448 2.922 . 0 0 "[ . 1 . 2]" 1 1142 1 49 ARG QB 1 52 PHE QB 1.800 . 5.500 4.955 4.587 5.260 . 0 0 "[ . 1 . 2]" 1 1143 1 49 ARG QB 1 52 PHE QD 1.800 . 5.500 4.772 4.135 5.062 . 0 0 "[ . 1 . 2]" 1 1144 1 49 ARG QG 1 50 LEU MD2 1.800 . 5.130 3.881 2.767 4.924 . 0 0 "[ . 1 . 2]" 1 1145 1 49 ARG QG 1 52 PHE QB 1.800 . 5.100 4.171 3.714 4.578 . 0 0 "[ . 1 . 2]" 1 1146 1 49 ARG QG 1 52 PHE QD 1.800 . 4.790 4.746 4.456 4.840 0.050 14 0 "[ . 1 . 2]" 1 1147 1 49 ARG QG 1 52 PHE H 1.800 . 5.290 4.998 4.731 5.347 0.057 9 0 "[ . 1 . 2]" 1 1148 1 49 ARG QG 1 53 GLY H 1.800 . 5.450 4.383 3.940 5.101 . 0 0 "[ . 1 . 2]" 1 1149 1 49 ARG H 1 49 ARG HB3 1.800 . 3.300 2.514 2.379 2.697 . 0 0 "[ . 1 . 2]" 1 1150 1 49 ARG H 1 49 ARG HB2 1.800 . 3.300 2.553 2.305 2.683 . 0 0 "[ . 1 . 2]" 1 1151 1 49 ARG H 1 49 ARG QD 1.800 . 5.500 4.466 4.205 4.849 . 0 0 "[ . 1 . 2]" 1 1152 1 49 ARG H 1 49 ARG HG3 1.800 . 4.970 4.476 4.301 4.631 . 0 0 "[ . 1 . 2]" 1 1153 1 49 ARG H 1 49 ARG HG2 1.800 . 4.970 4.456 4.361 4.616 . 0 0 "[ . 1 . 2]" 1 1154 1 49 ARG H 1 50 LEU H 1.800 . 3.460 2.466 2.311 2.625 . 0 0 "[ . 1 . 2]" 1 1155 1 49 ARG H 1 51 GLU H 1.800 . 4.590 3.974 3.796 4.185 . 0 0 "[ . 1 . 2]" 1 1156 1 50 LEU HA 1 50 LEU MD2 1.800 . 3.980 2.028 1.789 2.490 0.011 9 0 "[ . 1 . 2]" 1 1157 1 50 LEU HA 1 50 LEU HG 1.800 . 3.800 3.633 3.583 3.688 . 0 0 "[ . 1 . 2]" 1 1158 1 50 LEU QB 1 51 GLU QG 1.800 . 5.350 3.679 3.231 4.293 . 0 0 "[ . 1 . 2]" 1 1159 1 50 LEU QB 1 53 GLY H 1.800 . 5.270 4.640 4.395 4.833 . 0 0 "[ . 1 . 2]" 1 1160 1 50 LEU QB 1 54 GLN H 1.800 . 5.500 4.942 4.309 5.434 . 0 0 "[ . 1 . 2]" 1 1161 1 50 LEU HB3 1 50 LEU MD1 1.800 . 3.880 2.370 2.305 2.415 . 0 0 "[ . 1 . 2]" 1 1162 1 50 LEU HB3 1 50 LEU MD2 1.800 . 3.430 3.194 3.186 3.200 . 0 0 "[ . 1 . 2]" 1 1163 1 50 LEU HB3 1 51 GLU H 1.800 . 3.920 2.885 2.470 3.550 . 0 0 "[ . 1 . 2]" 1 1164 1 50 LEU HB2 1 50 LEU MD1 1.800 . 3.880 3.198 3.183 3.211 . 0 0 "[ . 1 . 2]" 1 1165 1 50 LEU HB2 1 50 LEU MD2 1.800 . 3.430 2.364 2.325 2.440 . 0 0 "[ . 1 . 2]" 1 1166 1 50 LEU HB2 1 51 GLU H 1.800 . 3.920 3.292 3.041 3.451 . 0 0 "[ . 1 . 2]" 1 1167 1 50 LEU MD1 1 52 PHE H 1.800 . 5.320 5.365 5.221 5.447 0.127 5 0 "[ . 1 . 2]" 1 1168 1 50 LEU MD1 1 53 GLY QA 1.800 . 5.250 3.494 2.707 4.193 . 0 0 "[ . 1 . 2]" 1 1169 1 50 LEU MD1 1 53 GLY H 1.800 . 5.070 4.154 3.888 4.454 . 0 0 "[ . 1 . 2]" 1 1170 1 50 LEU MD1 1 54 GLN QG 1.800 . 3.760 2.459 1.982 2.867 . 0 0 "[ . 1 . 2]" 1 1171 1 50 LEU MD1 1 54 GLN H 1.800 . 5.330 3.802 3.177 4.099 . 0 0 "[ . 1 . 2]" 1 1172 1 50 LEU MD2 1 53 GLY QA 1.800 . 4.010 4.049 3.963 4.093 0.083 12 0 "[ . 1 . 2]" 1 1173 1 50 LEU MD2 1 54 GLN QG 1.800 . 4.970 4.502 3.720 4.990 0.020 14 0 "[ . 1 . 2]" 1 1174 1 50 LEU HG 1 54 GLN QG 1.800 . 5.340 4.882 4.495 5.380 0.040 6 0 "[ . 1 . 2]" 1 1175 1 50 LEU H 1 50 LEU HB3 1.800 . 3.570 3.127 2.858 3.478 . 0 0 "[ . 1 . 2]" 1 1176 1 50 LEU H 1 50 LEU HB2 1.800 . 3.570 2.123 2.064 2.203 . 0 0 "[ . 1 . 2]" 1 1177 1 50 LEU H 1 50 LEU MD1 1.800 . 4.420 4.186 3.889 4.310 . 0 0 "[ . 1 . 2]" 1 1178 1 50 LEU H 1 50 LEU MD2 1.800 . 3.850 3.220 2.603 3.658 . 0 0 "[ . 1 . 2]" 1 1179 1 50 LEU H 1 51 GLU H 1.800 . 3.050 2.555 2.417 2.711 . 0 0 "[ . 1 . 2]" 1 1180 1 51 GLU HA 1 51 GLU HG3 1.800 . 3.960 3.662 3.029 3.848 . 0 0 "[ . 1 . 2]" 1 1181 1 51 GLU HA 1 51 GLU HG2 1.800 . 3.960 2.955 2.456 3.769 . 0 0 "[ . 1 . 2]" 1 1182 1 51 GLU QB 1 53 GLY H 1.800 . 5.110 4.388 4.177 5.047 . 0 0 "[ . 1 . 2]" 1 1183 1 51 GLU HB3 1 52 PHE QD 1.800 . 5.500 4.645 4.010 5.522 0.022 1 0 "[ . 1 . 2]" 1 1184 1 51 GLU HB3 1 52 PHE H 1.800 . 4.210 3.446 3.228 4.042 . 0 0 "[ . 1 . 2]" 1 1185 1 51 GLU HB2 1 52 PHE QD 1.800 . 5.500 3.787 3.112 4.469 . 0 0 "[ . 1 . 2]" 1 1186 1 51 GLU HB2 1 52 PHE H 1.800 . 4.210 2.546 2.221 3.835 . 0 0 "[ . 1 . 2]" 1 1187 1 51 GLU QG 1 52 PHE H 1.800 . 4.880 3.815 2.183 4.148 . 0 0 "[ . 1 . 2]" 1 1188 1 51 GLU H 1 51 GLU HB3 1.800 . 4.110 3.492 2.591 3.606 . 0 0 "[ . 1 . 2]" 1 1189 1 51 GLU H 1 51 GLU HB2 1.800 . 4.110 2.600 2.367 3.625 . 0 0 "[ . 1 . 2]" 1 1190 1 51 GLU H 1 52 PHE HA 1.800 . 5.500 5.396 5.273 5.507 0.007 13 0 "[ . 1 . 2]" 1 1191 1 51 GLU H 1 52 PHE QB 1.800 . 5.500 4.855 4.680 5.078 . 0 0 "[ . 1 . 2]" 1 1192 1 51 GLU H 1 52 PHE H 1.800 . 3.350 2.830 2.659 2.998 . 0 0 "[ . 1 . 2]" 1 1193 1 51 GLU H 1 53 GLY H 1.800 . 4.730 3.853 3.620 3.970 . 0 0 "[ . 1 . 2]" 1 1194 1 52 PHE HA 1 52 PHE QD 1.800 . 4.180 2.402 1.871 2.710 . 0 0 "[ . 1 . 2]" 1 1195 1 52 PHE HA 1 52 PHE QE 1.800 . 5.500 4.419 4.242 4.541 . 0 0 "[ . 1 . 2]" 1 1196 1 52 PHE HA 1 54 GLN H 1.800 . 4.570 3.980 3.664 4.562 . 0 0 "[ . 1 . 2]" 1 1197 1 52 PHE HA 1 55 LEU QB 1.800 . 4.910 2.540 1.847 4.549 . 0 0 "[ . 1 . 2]" 1 1198 1 52 PHE HA 1 55 LEU MD1 1.800 . 4.760 2.670 2.003 3.317 . 0 0 "[ . 1 . 2]" 1 1199 1 52 PHE HA 1 55 LEU H 1.800 . 4.400 3.026 2.496 3.583 . 0 0 "[ . 1 . 2]" 1 1200 1 52 PHE HA 1 56 GLU H 1.800 . 4.760 3.658 2.644 4.583 . 0 0 "[ . 1 . 2]" 1 1201 1 52 PHE QB 1 56 GLU H 1.800 . 5.450 4.545 3.567 5.512 0.062 14 0 "[ . 1 . 2]" 1 1202 1 52 PHE HB3 1 53 GLY H 1.800 . 4.270 3.923 3.719 4.232 . 0 0 "[ . 1 . 2]" 1 1203 1 52 PHE HB3 1 55 LEU MD1 1.800 . 5.500 4.280 3.307 5.317 . 0 0 "[ . 1 . 2]" 1 1204 1 52 PHE HB2 1 53 GLY H 1.800 . 4.270 3.040 2.780 3.443 . 0 0 "[ . 1 . 2]" 1 1205 1 52 PHE HB2 1 55 LEU MD1 1.800 . 5.500 4.961 4.384 5.566 0.066 12 0 "[ . 1 . 2]" 1 1206 1 52 PHE QD 1 53 GLY H 1.800 . 5.060 4.475 4.342 4.705 . 0 0 "[ . 1 . 2]" 1 1207 1 52 PHE QD 1 55 LEU QB 1.800 . 4.800 3.559 2.675 4.844 0.044 8 0 "[ . 1 . 2]" 1 1208 1 52 PHE QD 1 55 LEU MD1 1.800 . 4.240 2.821 1.965 3.843 . 0 0 "[ . 1 . 2]" 1 1209 1 52 PHE H 1 52 PHE HB3 1.800 . 3.920 3.613 3.598 3.630 . 0 0 "[ . 1 . 2]" 1 1210 1 52 PHE H 1 52 PHE HB2 1.800 . 3.920 2.443 2.375 2.610 . 0 0 "[ . 1 . 2]" 1 1211 1 52 PHE H 1 52 PHE QD 1.800 . 3.930 2.897 2.582 3.226 . 0 0 "[ . 1 . 2]" 1 1212 1 52 PHE H 1 53 GLY QA 1.800 . 5.000 4.370 4.213 4.486 . 0 0 "[ . 1 . 2]" 1 1213 1 52 PHE H 1 55 LEU MD1 1.800 . 5.500 4.484 3.906 5.549 0.049 13 0 "[ . 1 . 2]" 1 1214 1 53 GLY QA 1 54 GLN H 1.800 . 3.330 2.775 2.606 2.916 . 0 0 "[ . 1 . 2]" 1 1215 1 53 GLY QA 1 55 LEU H 1.800 . 4.550 3.989 3.573 4.374 . 0 0 "[ . 1 . 2]" 1 1216 1 53 GLY H 1 54 GLN HA 1.800 . 5.480 5.209 4.903 5.336 . 0 0 "[ . 1 . 2]" 1 1217 1 53 GLY H 1 54 GLN QG 1.800 . 5.500 4.284 3.888 4.664 . 0 0 "[ . 1 . 2]" 1 1218 1 54 GLN HA 1 54 GLN QG 1.800 . 3.930 2.785 2.363 3.348 . 0 0 "[ . 1 . 2]" 1 1219 1 54 GLN QB 1 54 GLN QG 1.800 . 2.430 2.028 1.981 2.088 . 0 0 "[ . 1 . 2]" 1 1220 1 54 GLN QB 1 55 LEU H 1.800 . 3.630 2.871 2.513 3.713 0.083 17 0 "[ . 1 . 2]" 1 1221 1 54 GLN QG 1 55 LEU H 1.800 . 4.530 4.099 2.776 4.559 0.029 13 0 "[ . 1 . 2]" 1 1222 1 54 GLN H 1 54 GLN QB 1.800 . 3.480 2.434 2.330 2.695 . 0 0 "[ . 1 . 2]" 1 1223 1 54 GLN H 1 54 GLN QG 1.800 . 3.670 2.494 1.918 3.037 . 0 0 "[ . 1 . 2]" 1 1224 1 55 LEU HA 1 55 LEU MD1 1.800 . 4.640 3.519 1.852 3.911 . 0 0 "[ . 1 . 2]" 1 1225 1 55 LEU HA 1 55 LEU MD2 1.800 . 4.150 2.400 1.942 4.079 . 0 0 "[ . 1 . 2]" 1 1226 1 55 LEU QB 1 55 LEU MD2 1.800 . 3.120 2.272 2.084 2.470 . 0 0 "[ . 1 . 2]" 1 1227 1 55 LEU MD1 1 56 GLU H 1.800 . 5.110 4.261 2.964 5.191 0.081 6 0 "[ . 1 . 2]" 1 1228 1 55 LEU MD2 1 56 GLU H 1.800 . 5.500 4.540 3.174 5.515 0.015 14 0 "[ . 1 . 2]" 1 1229 1 55 LEU H 1 55 LEU MD2 1.800 . 4.880 3.551 2.424 4.892 0.012 14 0 "[ . 1 . 2]" 1 1230 1 55 LEU H 1 56 GLU H 1.800 . 3.280 2.693 2.069 3.290 0.010 16 0 "[ . 1 . 2]" 1 stop_ save_ save_distance_constraint_statistics_2 _Distance_constraint_stats_list.Sf_category distance_constraint_statistics _Distance_constraint_stats_list.Constraint_list_ID 2 _Distance_constraint_stats_list.Constraint_count 56 _Distance_constraint_stats_list.Viol_count 187 _Distance_constraint_stats_list.Viol_total 85.618 _Distance_constraint_stats_list.Viol_max 0.082 _Distance_constraint_stats_list.Viol_rms 0.0113 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0038 _Distance_constraint_stats_list.Viol_average_violations_only 0.0229 _Distance_constraint_stats_list.Cutoff_violation_report 0.500 _Distance_constraint_stats_list.Details . 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 6 THR 0.000 0.000 . 0 "[ . 1 . 2]" 1 7 SER 0.110 0.027 10 0 "[ . 1 . 2]" 1 8 GLU 0.000 0.000 . 0 "[ . 1 . 2]" 1 9 ALA 0.000 0.000 . 0 "[ . 1 . 2]" 1 10 LYS 0.214 0.041 6 0 "[ . 1 . 2]" 1 11 THR 0.110 0.027 10 0 "[ . 1 . 2]" 1 12 LYS 0.000 0.000 . 0 "[ . 1 . 2]" 1 13 LEU 0.000 0.000 . 0 "[ . 1 . 2]" 1 14 LYS 0.214 0.041 6 0 "[ . 1 . 2]" 1 21 ARG 0.000 0.000 . 0 "[ . 1 . 2]" 1 22 SER 0.091 0.028 5 0 "[ . 1 . 2]" 1 23 GLN 0.505 0.055 3 0 "[ . 1 . 2]" 1 24 ALA 0.145 0.030 4 0 "[ . 1 . 2]" 1 25 LYS 0.000 0.000 . 0 "[ . 1 . 2]" 1 26 ALA 0.251 0.032 6 0 "[ . 1 . 2]" 1 27 ARG 0.559 0.055 3 0 "[ . 1 . 2]" 1 28 ILE 0.145 0.030 4 0 "[ . 1 . 2]" 1 29 GLU 0.109 0.020 5 0 "[ . 1 . 2]" 1 30 GLN 0.166 0.032 6 0 "[ . 1 . 2]" 1 31 LEU 0.139 0.039 1 0 "[ . 1 . 2]" 1 32 ALA 0.505 0.058 9 0 "[ . 1 . 2]" 1 33 ARG 0.109 0.020 5 0 "[ . 1 . 2]" 1 34 GLN 0.007 0.007 5 0 "[ . 1 . 2]" 1 35 ALA 0.084 0.039 1 0 "[ . 1 . 2]" 1 36 GLU 0.505 0.058 9 0 "[ . 1 . 2]" 1 41 THR 0.335 0.051 2 0 "[ . 1 . 2]" 1 42 PRO 0.000 0.000 . 0 "[ . 1 . 2]" 1 43 GLU 0.035 0.019 19 0 "[ . 1 . 2]" 1 44 LEU 0.000 0.000 . 0 "[ . 1 . 2]" 1 45 VAL 0.338 0.051 2 0 "[ . 1 . 2]" 1 46 GLU 1.178 0.082 3 0 "[ . 1 . 2]" 1 47 GLN 0.035 0.019 19 0 "[ . 1 . 2]" 1 48 ALA 0.282 0.051 1 0 "[ . 1 . 2]" 1 49 ARG 1.226 0.082 3 0 "[ . 1 . 2]" 1 50 LEU 0.177 0.047 2 0 "[ . 1 . 2]" 1 51 GLU 0.240 0.061 13 0 "[ . 1 . 2]" 1 52 PHE 0.282 0.051 1 0 "[ . 1 . 2]" 1 53 GLY 0.128 0.043 12 0 "[ . 1 . 2]" 1 54 GLN 0.094 0.047 2 0 "[ . 1 . 2]" 1 55 LEU 0.240 0.061 13 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 6 THR O 1 10 LYS H 1.700 . 2.300 1.868 1.782 1.972 . 0 0 "[ . 1 . 2]" 2 2 1 6 THR O 1 10 LYS N 2.700 2.700 3.300 2.835 2.757 2.912 . 0 0 "[ . 1 . 2]" 2 3 1 7 SER O 1 11 THR H 1.700 . 2.300 2.217 2.013 2.327 0.027 10 0 "[ . 1 . 2]" 2 4 1 7 SER O 1 11 THR N 2.700 2.700 3.300 3.138 2.910 3.276 . 0 0 "[ . 1 . 2]" 2 5 1 8 GLU O 1 12 LYS H 1.700 . 2.300 1.923 1.777 2.084 . 0 0 "[ . 1 . 2]" 2 6 1 8 GLU O 1 12 LYS N 2.700 2.700 3.300 2.858 2.729 2.987 . 0 0 "[ . 1 . 2]" 2 7 1 9 ALA O 1 13 LEU H 1.700 . 2.300 1.863 1.793 1.946 . 0 0 "[ . 1 . 2]" 2 8 1 9 ALA O 1 13 LEU N 2.700 2.700 3.300 2.775 2.708 2.860 . 0 0 "[ . 1 . 2]" 2 9 1 10 LYS O 1 14 LYS H 1.700 . 2.300 2.257 1.999 2.341 0.041 6 0 "[ . 1 . 2]" 2 10 1 10 LYS O 1 14 LYS N 2.700 2.700 3.300 3.118 2.918 3.201 . 0 0 "[ . 1 . 2]" 2 11 1 21 ARG O 1 25 LYS H 1.700 . 2.300 1.905 1.743 2.299 . 0 0 "[ . 1 . 2]" 2 12 1 21 ARG O 1 25 LYS N 2.700 2.700 3.300 2.844 2.701 3.229 . 0 0 "[ . 1 . 2]" 2 13 1 22 SER O 1 26 ALA H 1.700 . 2.300 2.216 1.917 2.328 0.028 5 0 "[ . 1 . 2]" 2 14 1 22 SER O 1 26 ALA N 2.700 2.700 3.300 3.142 2.817 3.262 . 0 0 "[ . 1 . 2]" 2 15 1 23 GLN O 1 27 ARG H 1.700 . 2.300 2.314 2.165 2.355 0.055 3 0 "[ . 1 . 2]" 2 16 1 23 GLN O 1 27 ARG N 2.700 2.700 3.300 3.223 3.061 3.294 . 0 0 "[ . 1 . 2]" 2 17 1 24 ALA O 1 28 ILE H 1.700 . 2.300 1.758 1.709 1.821 . 0 0 "[ . 1 . 2]" 2 18 1 24 ALA O 1 28 ILE N 2.700 2.700 3.300 2.709 2.670 2.767 0.030 4 0 "[ . 1 . 2]" 2 19 1 25 LYS O 1 29 GLU H 1.700 . 2.300 1.994 1.861 2.108 . 0 0 "[ . 1 . 2]" 2 20 1 25 LYS O 1 29 GLU N 2.700 2.700 3.300 2.972 2.843 3.080 . 0 0 "[ . 1 . 2]" 2 21 1 26 ALA O 1 30 GLN H 1.700 . 2.300 2.280 2.167 2.332 0.032 6 0 "[ . 1 . 2]" 2 22 1 26 ALA O 1 30 GLN N 2.700 2.700 3.300 3.109 3.008 3.210 . 0 0 "[ . 1 . 2]" 2 23 1 27 ARG O 1 31 LEU H 1.700 . 2.300 1.827 1.762 1.947 . 0 0 "[ . 1 . 2]" 2 24 1 27 ARG O 1 31 LEU N 2.700 2.700 3.300 2.741 2.680 2.851 0.020 16 0 "[ . 1 . 2]" 2 25 1 28 ILE O 1 32 ALA H 1.700 . 2.300 2.078 1.877 2.261 . 0 0 "[ . 1 . 2]" 2 26 1 28 ILE O 1 32 ALA N 2.700 2.700 3.300 2.977 2.802 3.147 . 0 0 "[ . 1 . 2]" 2 27 1 29 GLU O 1 33 ARG H 1.700 . 2.300 2.185 1.869 2.320 0.020 5 0 "[ . 1 . 2]" 2 28 1 29 GLU O 1 33 ARG N 2.700 2.700 3.300 3.078 2.821 3.228 . 0 0 "[ . 1 . 2]" 2 29 1 30 GLN O 1 34 GLN H 1.700 . 2.300 2.052 1.881 2.307 0.007 5 0 "[ . 1 . 2]" 2 30 1 30 GLN O 1 34 GLN N 2.700 2.700 3.300 2.903 2.755 3.198 . 0 0 "[ . 1 . 2]" 2 31 1 31 LEU O 1 35 ALA H 1.700 . 2.300 2.124 1.926 2.339 0.039 1 0 "[ . 1 . 2]" 2 32 1 31 LEU O 1 35 ALA N 2.700 2.700 3.300 2.956 2.781 3.220 . 0 0 "[ . 1 . 2]" 2 33 1 32 ALA O 1 36 GLU H 1.700 . 2.300 2.320 2.195 2.358 0.058 9 0 "[ . 1 . 2]" 2 34 1 32 ALA O 1 36 GLU N 2.700 2.700 3.300 2.801 2.710 2.875 . 0 0 "[ . 1 . 2]" 2 35 1 41 THR O 1 45 VAL H 1.700 . 2.300 2.314 2.249 2.351 0.051 2 0 "[ . 1 . 2]" 2 36 1 41 THR O 1 45 VAL N 2.700 2.700 3.300 3.257 3.205 3.302 0.002 5 0 "[ . 1 . 2]" 2 37 1 42 PRO O 1 46 GLU H 1.700 . 2.300 1.923 1.786 2.200 . 0 0 "[ . 1 . 2]" 2 38 1 42 PRO O 1 46 GLU N 2.700 2.700 3.300 2.868 2.736 3.143 . 0 0 "[ . 1 . 2]" 2 39 1 43 GLU O 1 47 GLN H 1.700 . 2.300 1.882 1.728 2.140 . 0 0 "[ . 1 . 2]" 2 40 1 43 GLU O 1 47 GLN N 2.700 2.700 3.300 2.804 2.681 3.073 0.019 19 0 "[ . 1 . 2]" 2 41 1 44 LEU O 1 48 ALA H 1.700 . 2.300 2.034 1.852 2.232 . 0 0 "[ . 1 . 2]" 2 42 1 44 LEU O 1 48 ALA N 2.700 2.700 3.300 2.985 2.815 3.191 . 0 0 "[ . 1 . 2]" 2 43 1 46 GLU O 1 49 ARG H 1.700 . 2.300 2.355 2.320 2.382 0.082 3 0 "[ . 1 . 2]" 2 44 1 45 VAL O 1 49 ARG N 2.700 2.700 3.300 3.119 2.952 3.303 0.003 3 0 "[ . 1 . 2]" 2 45 1 46 GLU O 1 50 LEU H 1.700 . 2.300 1.894 1.781 2.124 . 0 0 "[ . 1 . 2]" 2 46 1 46 GLU O 1 50 LEU N 2.700 2.700 3.300 2.764 2.667 2.952 0.033 3 0 "[ . 1 . 2]" 2 47 1 47 GLN O 1 51 GLU H 1.700 . 2.300 1.951 1.790 2.222 . 0 0 "[ . 1 . 2]" 2 48 1 47 GLN O 1 51 GLU N 2.700 2.700 3.300 2.867 2.731 3.142 . 0 0 "[ . 1 . 2]" 2 49 1 48 ALA O 1 52 PHE H 1.700 . 2.300 2.276 2.040 2.351 0.051 1 0 "[ . 1 . 2]" 2 50 1 48 ALA O 1 52 PHE N 2.700 2.700 3.300 3.223 2.993 3.308 0.008 2 0 "[ . 1 . 2]" 2 51 1 49 ARG O 1 53 GLY H 1.700 . 2.300 2.133 1.844 2.343 0.043 12 0 "[ . 1 . 2]" 2 52 1 49 ARG O 1 53 GLY N 2.700 2.700 3.300 2.888 2.674 3.172 0.026 11 0 "[ . 1 . 2]" 2 53 1 50 LEU O 1 54 GLN H 1.700 . 2.300 2.106 1.791 2.347 0.047 2 0 "[ . 1 . 2]" 2 54 1 50 LEU O 1 54 GLN N 2.700 2.700 3.300 2.906 2.699 3.116 0.001 19 0 "[ . 1 . 2]" 2 55 1 51 GLU O 1 55 LEU H 1.700 . 2.300 2.138 1.724 2.361 0.061 13 0 "[ . 1 . 2]" 2 56 1 51 GLU O 1 55 LEU N 2.700 2.700 3.300 2.940 2.675 3.239 0.025 6 0 "[ . 1 . 2]" 2 stop_ save_
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