NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
390925 | 1osl | 5791 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1osl 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 612 _Distance_constraint_stats_list.Viol_count 3049 _Distance_constraint_stats_list.Viol_total 7420.814 _Distance_constraint_stats_list.Viol_max 2.791 _Distance_constraint_stats_list.Viol_rms 0.0770 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0303 _Distance_constraint_stats_list.Viol_average_violations_only 0.1217 _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 4 3 PRO 2.937 0.378 20 0 "[ . 1 . 2]" 4 4 VAL 26.173 0.433 9 0 "[ . 1 . 2]" 4 5 THR 16.643 0.358 9 0 "[ . 1 . 2]" 4 6 LEU 21.517 0.305 16 0 "[ . 1 . 2]" 4 7 TYR 13.495 0.345 16 0 "[ . 1 . 2]" 4 8 ASP 17.616 0.433 9 0 "[ . 1 . 2]" 4 9 VAL 29.202 0.289 17 0 "[ . 1 . 2]" 4 10 ALA 18.764 0.289 17 0 "[ . 1 . 2]" 4 11 GLU 9.779 0.237 14 0 "[ . 1 . 2]" 4 12 TYR 26.088 0.338 9 0 "[ . 1 . 2]" 4 13 ALA 30.364 0.673 18 20 [-****************+**] 4 14 GLY 10.134 0.308 17 0 "[ . 1 . 2]" 4 15 VAL 23.892 0.308 17 0 "[ . 1 . 2]" 4 16 SER 13.195 0.284 12 0 "[ . 1 . 2]" 4 17 TYR 31.448 0.353 14 0 "[ . 1 . 2]" 4 18 GLN 2.432 0.349 4 0 "[ . 1 . 2]" 4 19 THR 13.365 0.326 20 0 "[ . 1 . 2]" 4 20 VAL 30.814 0.424 5 0 "[ . 1 . 2]" 4 21 SER 2.852 0.187 3 0 "[ . 1 . 2]" 4 22 ARG 8.359 0.296 20 0 "[ . 1 . 2]" 4 23 VAL 36.946 2.791 13 12 "[ -*** * *+*.****2]" 4 24 VAL 9.005 0.310 17 0 "[ . 1 . 2]" 4 25 ASN 9.399 0.366 13 0 "[ . 1 . 2]" 4 26 GLN 12.758 0.567 10 3 "[ -. + * . 2]" 4 27 ALA 24.308 2.791 13 11 "[ **** * +*.**-*2]" 4 28 SER 0.281 0.104 1 0 "[ . 1 . 2]" 4 29 HIS 5.120 0.201 6 0 "[ . 1 . 2]" 4 30 VAL 8.507 0.276 5 0 "[ . 1 . 2]" 4 31 SER 5.199 0.269 17 0 "[ . 1 . 2]" 4 32 ALA 2.110 0.158 3 0 "[ . 1 . 2]" 4 33 LYS 7.844 0.351 17 0 "[ . 1 . 2]" 4 34 THR 7.690 0.351 17 0 "[ . 1 . 2]" 4 35 ARG 6.408 0.246 3 0 "[ . 1 . 2]" 4 36 GLU 6.518 0.250 13 0 "[ . 1 . 2]" 4 37 LYS 12.611 0.279 17 0 "[ . 1 . 2]" 4 38 VAL 28.692 0.270 8 0 "[ . 1 . 2]" 4 39 GLU 6.610 0.235 17 0 "[ . 1 . 2]" 4 40 ALA 6.706 0.276 15 0 "[ . 1 . 2]" 4 41 ALA 23.222 0.673 18 20 [-****************+**] 4 42 MET 23.220 0.270 8 0 "[ . 1 . 2]" 4 43 ALA 11.131 0.227 12 0 "[ . 1 . 2]" 4 44 GLU 19.623 0.261 1 0 "[ . 1 . 2]" 4 45 LEU 17.797 0.338 9 0 "[ . 1 . 2]" 4 46 ASN 7.874 0.203 3 0 "[ . 1 . 2]" 4 47 TYR 17.097 0.845 12 2 "[ . -1 + . 2]" 4 48 ILE 7.288 0.845 12 2 "[ . -1 + . 2]" 4 49 PRO 1.052 0.235 15 0 "[ . 1 . 2]" 4 50 ASN 1.721 0.280 9 0 "[ . 1 . 2]" 4 51 ARG 2.018 0.280 9 0 "[ . 1 . 2]" 4 52 CYS 8.212 0.338 2 0 "[ . 1 . 2]" 4 53 ALA 8.005 0.338 2 0 "[ . 1 . 2]" 4 54 GLN 1.299 0.166 5 0 "[ . 1 . 2]" 4 55 GLN 1.323 0.188 3 0 "[ . 1 . 2]" 4 56 LEU 0.927 0.188 3 0 "[ . 1 . 2]" 4 57 ALA 0.000 0.000 . 0 "[ . 1 . 2]" 4 58 GLY 0.000 0.000 . 0 "[ . 1 . 2]" stop_ loop_ _Distance_constraint_stats.Restraint_ID _Distance_constraint_stats.Atom_1_entity_assembly_ID _Distance_constraint_stats.Atom_1_comp_index_ID _Distance_constraint_stats.Atom_1_comp_ID _Distance_constraint_stats.Atom_1_ID _Distance_constraint_stats.Atom_2_entity_assembly_ID _Distance_constraint_stats.Atom_2_comp_index_ID _Distance_constraint_stats.Atom_2_comp_ID _Distance_constraint_stats.Atom_2_ID _Distance_constraint_stats.Node_1_distance_val _Distance_constraint_stats.Node_1_distance_lower_bound_val _Distance_constraint_stats.Node_1_distance_upper_bound_val _Distance_constraint_stats.Distance_average _Distance_constraint_stats.Distance_minimum _Distance_constraint_stats.Distance_maximum _Distance_constraint_stats.Max_violation _Distance_constraint_stats.Max_violation_model_number _Distance_constraint_stats.Over_cutoff_violation_count _Distance_constraint_stats.Over_cutoff_viol_per_model _Distance_constraint_stats.Distance_constraint_stats_ID 1 4 3 PRO HA 4 3 PRO QG 3.600 . 3.600 3.153 2.848 3.541 . 0 0 "[ . 1 . 2]" 1 2 4 3 PRO HA 4 4 VAL H 3.600 . 3.600 2.701 2.111 3.566 . 0 0 "[ . 1 . 2]" 1 3 4 3 PRO HA 4 4 VAL MG1 5.500 . 5.500 5.622 5.435 5.878 0.378 20 0 "[ . 1 . 2]" 1 4 4 3 PRO HA 4 4 VAL MG2 5.500 . 5.500 3.810 3.467 4.323 . 0 0 "[ . 1 . 2]" 1 5 4 3 PRO QB 4 4 VAL H 3.600 . 3.600 2.704 1.756 3.694 0.094 20 0 "[ . 1 . 2]" 1 6 4 3 PRO QG 4 48 ILE MG 5.000 . 5.000 3.221 2.091 3.751 . 0 0 "[ . 1 . 2]" 1 7 4 4 VAL H 4 4 VAL HB 3.600 . 3.600 2.637 2.389 2.945 . 0 0 "[ . 1 . 2]" 1 8 4 4 VAL H 4 4 VAL MG2 3.600 . 3.600 2.481 1.901 3.031 . 0 0 "[ . 1 . 2]" 1 9 4 4 VAL H 4 5 THR H 4.500 . 4.500 4.391 4.234 4.521 0.021 17 0 "[ . 1 . 2]" 1 10 4 4 VAL H 4 48 ILE MG 5.000 . 5.000 3.330 2.600 3.703 . 0 0 "[ . 1 . 2]" 1 11 4 4 VAL HA 4 4 VAL MG1 3.600 . 3.600 2.405 2.310 2.528 . 0 0 "[ . 1 . 2]" 1 12 4 4 VAL HA 4 4 VAL MG2 3.600 . 3.600 2.362 2.287 2.425 . 0 0 "[ . 1 . 2]" 1 13 4 4 VAL HA 4 5 THR H 3.600 . 3.600 2.074 2.015 2.171 . 0 0 "[ . 1 . 2]" 1 14 4 4 VAL HA 4 5 THR MG 5.500 . 5.500 4.497 3.857 5.137 . 0 0 "[ . 1 . 2]" 1 15 4 4 VAL HA 4 8 ASP HB2 3.600 . 3.600 3.322 3.158 3.613 0.013 12 0 "[ . 1 . 2]" 1 16 4 4 VAL HA 4 8 ASP HB3 3.600 . 3.600 3.846 3.758 4.033 0.433 9 0 "[ . 1 . 2]" 1 17 4 4 VAL HB 4 5 THR H 3.600 . 3.600 3.850 3.736 3.958 0.358 9 0 "[ . 1 . 2]" 1 18 4 4 VAL HB 4 47 TYR QD 3.600 . 3.600 2.074 1.795 2.218 0.005 9 0 "[ . 1 . 2]" 1 19 4 4 VAL MG1 4 5 THR H 3.600 . 3.600 2.230 2.008 2.340 . 0 0 "[ . 1 . 2]" 1 20 4 4 VAL MG1 4 5 THR HA 3.600 . 3.600 3.536 3.426 3.641 0.041 12 0 "[ . 1 . 2]" 1 21 4 4 VAL MG1 4 7 TYR H 4.500 . 4.500 4.623 4.576 4.678 0.178 4 0 "[ . 1 . 2]" 1 22 4 4 VAL MG1 4 8 ASP HA 4.000 . 4.000 4.113 4.024 4.159 0.159 2 0 "[ . 1 . 2]" 1 23 4 4 VAL MG1 4 8 ASP HB2 3.600 . 3.600 1.785 1.699 1.979 0.101 18 0 "[ . 1 . 2]" 1 24 4 4 VAL MG1 4 8 ASP HB3 3.600 . 3.600 2.063 1.785 2.268 0.015 12 0 "[ . 1 . 2]" 1 25 4 4 VAL MG1 4 9 VAL H 3.600 . 3.600 2.994 2.855 3.101 . 0 0 "[ . 1 . 2]" 1 26 4 4 VAL MG1 4 9 VAL MG2 3.600 . 3.600 2.085 1.937 2.241 . 0 0 "[ . 1 . 2]" 1 27 4 4 VAL MG1 4 45 LEU QB 3.600 . 3.600 2.641 2.515 2.796 . 0 0 "[ . 1 . 2]" 1 28 4 4 VAL MG1 4 45 LEU QD 3.600 . 3.600 2.592 2.370 2.792 . 0 0 "[ . 1 . 2]" 1 29 4 4 VAL MG1 4 47 TYR HA 3.600 . 3.600 2.810 2.021 3.520 . 0 0 "[ . 1 . 2]" 1 30 4 4 VAL MG1 4 47 TYR HB2 3.600 . 3.600 2.635 2.235 3.261 . 0 0 "[ . 1 . 2]" 1 31 4 4 VAL MG1 4 47 TYR HB3 5.500 . 5.500 4.110 3.829 4.668 . 0 0 "[ . 1 . 2]" 1 32 4 4 VAL MG1 4 47 TYR QD 3.600 . 3.600 2.716 2.471 3.242 . 0 0 "[ . 1 . 2]" 1 33 4 4 VAL MG1 4 47 TYR QE 3.600 . 3.600 3.618 3.511 3.698 0.098 1 0 "[ . 1 . 2]" 1 34 4 4 VAL MG2 4 5 THR H 3.600 . 3.600 3.781 3.690 3.841 0.241 15 0 "[ . 1 . 2]" 1 35 4 4 VAL MG2 4 8 ASP HB2 5.500 . 5.500 3.824 3.699 4.094 . 0 0 "[ . 1 . 2]" 1 36 4 4 VAL MG2 4 9 VAL MG2 3.600 . 3.600 3.704 3.557 3.871 0.271 11 0 "[ . 1 . 2]" 1 37 4 4 VAL MG2 4 45 LEU QB 3.600 . 3.600 2.145 1.844 2.469 . 0 0 "[ . 1 . 2]" 1 38 4 4 VAL MG2 4 45 LEU QD 3.600 . 3.600 3.076 2.859 3.286 . 0 0 "[ . 1 . 2]" 1 39 4 4 VAL MG2 4 47 TYR HA 3.600 . 3.600 2.593 2.243 2.820 . 0 0 "[ . 1 . 2]" 1 40 4 4 VAL MG2 4 47 TYR HB2 4.600 . 4.600 3.475 3.204 3.916 . 0 0 "[ . 1 . 2]" 1 41 4 4 VAL MG2 4 47 TYR HB3 4.600 . 4.600 4.606 4.496 4.667 0.067 10 0 "[ . 1 . 2]" 1 42 4 4 VAL MG2 4 47 TYR QD 3.600 . 3.600 3.623 3.408 3.738 0.138 5 0 "[ . 1 . 2]" 1 43 4 5 THR H 4 5 THR MG 3.600 . 3.600 3.350 2.821 3.787 0.187 18 0 "[ . 1 . 2]" 1 44 4 5 THR H 4 8 ASP H 3.600 . 3.600 3.254 3.060 3.585 . 0 0 "[ . 1 . 2]" 1 45 4 5 THR H 4 8 ASP HB2 3.600 . 3.600 2.198 2.025 2.297 . 0 0 "[ . 1 . 2]" 1 46 4 5 THR H 4 8 ASP HB3 3.600 . 3.600 3.535 3.424 3.616 0.016 18 0 "[ . 1 . 2]" 1 47 4 5 THR HA 4 5 THR MG 3.600 . 3.600 2.249 2.156 2.351 . 0 0 "[ . 1 . 2]" 1 48 4 5 THR HA 4 6 LEU H 3.600 . 3.600 2.406 2.355 2.449 . 0 0 "[ . 1 . 2]" 1 49 4 5 THR HA 4 6 LEU QB 4.100 . 4.100 4.275 4.236 4.307 0.207 8 0 "[ . 1 . 2]" 1 50 4 5 THR HA 4 47 TYR QE 3.600 . 3.600 3.343 3.022 3.596 . 0 0 "[ . 1 . 2]" 1 51 4 5 THR HB 4 6 LEU H 3.600 . 3.600 2.952 2.515 3.469 . 0 0 "[ . 1 . 2]" 1 52 4 5 THR HB 4 7 TYR H 3.600 . 3.600 2.319 2.190 2.478 . 0 0 "[ . 1 . 2]" 1 53 4 5 THR MG 4 6 LEU H 3.600 . 3.600 3.080 2.320 3.716 0.116 19 0 "[ . 1 . 2]" 1 54 4 5 THR MG 4 7 TYR QD 3.600 . 3.600 3.717 3.445 3.897 0.297 6 0 "[ . 1 . 2]" 1 55 4 6 LEU H 4 6 LEU QB 3.600 . 3.600 2.063 2.044 2.088 . 0 0 "[ . 1 . 2]" 1 56 4 6 LEU H 4 6 LEU QD 3.600 . 3.600 3.630 3.608 3.653 0.053 7 0 "[ . 1 . 2]" 1 57 4 6 LEU H 4 6 LEU HG 3.600 . 3.600 3.556 3.504 3.618 0.018 13 0 "[ . 1 . 2]" 1 58 4 6 LEU H 4 7 TYR H 3.600 . 3.600 2.556 2.456 2.611 . 0 0 "[ . 1 . 2]" 1 59 4 6 LEU H 4 8 ASP H 4.500 . 4.500 4.195 4.086 4.260 . 0 0 "[ . 1 . 2]" 1 60 4 6 LEU H 4 17 TYR QE 3.600 . 3.600 2.881 2.659 3.080 . 0 0 "[ . 1 . 2]" 1 61 4 6 LEU H 4 47 TYR QE 3.600 . 3.600 3.614 3.489 3.736 0.136 3 0 "[ . 1 . 2]" 1 62 4 6 LEU HA 4 6 LEU QD 3.600 . 3.600 1.785 1.731 1.901 0.069 15 0 "[ . 1 . 2]" 1 63 4 6 LEU HA 4 6 LEU HG 3.600 . 3.600 2.588 2.486 2.690 . 0 0 "[ . 1 . 2]" 1 64 4 6 LEU HA 4 7 TYR H 3.600 . 3.600 3.366 3.336 3.389 . 0 0 "[ . 1 . 2]" 1 65 4 6 LEU HA 4 9 VAL H 3.600 . 3.600 3.186 3.090 3.256 . 0 0 "[ . 1 . 2]" 1 66 4 6 LEU HA 4 9 VAL MG2 3.600 . 3.600 2.698 2.590 2.808 . 0 0 "[ . 1 . 2]" 1 67 4 6 LEU HA 4 17 TYR QD 4.600 . 4.600 4.649 4.552 4.733 0.133 20 0 "[ . 1 . 2]" 1 68 4 6 LEU HA 4 17 TYR QE 3.600 . 3.600 3.672 3.582 3.901 0.301 10 0 "[ . 1 . 2]" 1 69 4 6 LEU HA 4 47 TYR QD 4.600 . 4.600 4.405 4.247 4.545 . 0 0 "[ . 1 . 2]" 1 70 4 6 LEU HA 4 47 TYR QE 3.600 . 3.600 3.562 3.423 3.678 0.078 12 0 "[ . 1 . 2]" 1 71 4 6 LEU QB 4 7 TYR H 5.500 . 5.500 3.060 3.018 3.100 . 0 0 "[ . 1 . 2]" 1 72 4 6 LEU QB 4 7 TYR HA 5.500 . 5.500 4.054 4.005 4.103 . 0 0 "[ . 1 . 2]" 1 73 4 6 LEU QB 4 17 TYR HB2 5.500 . 5.500 5.095 4.999 5.222 . 0 0 "[ . 1 . 2]" 1 74 4 6 LEU QB 4 17 TYR QD 3.600 . 3.600 2.827 2.668 2.925 . 0 0 "[ . 1 . 2]" 1 75 4 6 LEU QB 4 17 TYR QE 3.600 . 3.600 1.637 1.495 1.750 0.305 16 0 "[ . 1 . 2]" 1 76 4 6 LEU QB 4 20 VAL MG2 3.600 . 3.600 3.578 3.437 3.741 0.141 8 0 "[ . 1 . 2]" 1 77 4 6 LEU QD 4 9 VAL H 3.600 . 3.600 3.668 3.607 3.722 0.122 11 0 "[ . 1 . 2]" 1 78 4 6 LEU QD 4 9 VAL MG1 3.600 . 3.600 2.922 2.784 3.045 . 0 0 "[ . 1 . 2]" 1 79 4 6 LEU QD 4 9 VAL MG2 3.600 . 3.600 2.698 2.566 2.867 . 0 0 "[ . 1 . 2]" 1 80 4 6 LEU QD 4 10 ALA H 3.600 . 3.600 3.592 3.480 3.661 0.061 11 0 "[ . 1 . 2]" 1 81 4 6 LEU QD 4 17 TYR QD 3.600 . 3.600 3.686 3.610 3.761 0.161 12 0 "[ . 1 . 2]" 1 82 4 6 LEU QD 4 17 TYR QE 3.600 . 3.600 3.099 2.912 3.211 . 0 0 "[ . 1 . 2]" 1 83 4 6 LEU QD 4 20 VAL HA 4.500 . 4.500 4.602 4.474 4.681 0.181 9 0 "[ . 1 . 2]" 1 84 4 6 LEU QD 4 21 SER HA 3.600 . 3.600 2.007 1.804 2.176 . 0 0 "[ . 1 . 2]" 1 85 4 6 LEU QD 4 24 VAL HB 3.600 . 3.600 2.257 1.989 2.441 . 0 0 "[ . 1 . 2]" 1 86 4 6 LEU QD 4 24 VAL MG1 3.600 . 3.600 2.368 2.047 2.640 . 0 0 "[ . 1 . 2]" 1 87 4 6 LEU QD 4 24 VAL MG2 3.600 . 3.600 2.022 1.862 2.226 . 0 0 "[ . 1 . 2]" 1 88 4 6 LEU QD 4 42 MET ME 3.600 . 3.600 2.664 2.497 2.861 . 0 0 "[ . 1 . 2]" 1 89 4 6 LEU QD 4 47 TYR QD 3.600 . 3.600 3.558 3.421 3.701 0.101 2 0 "[ . 1 . 2]" 1 90 4 6 LEU QD 4 47 TYR QE 3.600 . 3.600 2.383 2.159 2.612 . 0 0 "[ . 1 . 2]" 1 91 4 6 LEU HG 4 7 TYR H 5.000 . 5.000 5.153 5.110 5.197 0.197 1 0 "[ . 1 . 2]" 1 92 4 6 LEU HG 4 17 TYR QE 4.600 . 4.600 4.184 3.950 4.258 . 0 0 "[ . 1 . 2]" 1 93 4 6 LEU HG 4 47 TYR QE 3.600 . 3.600 2.682 2.061 2.932 . 0 0 "[ . 1 . 2]" 1 94 4 7 TYR H 4 7 TYR HB2 3.600 . 3.600 2.083 1.968 2.176 . 0 0 "[ . 1 . 2]" 1 95 4 7 TYR H 4 7 TYR HB3 3.600 . 3.600 3.390 3.250 3.485 . 0 0 "[ . 1 . 2]" 1 96 4 7 TYR H 4 7 TYR QD 3.600 . 3.600 3.675 3.618 3.742 0.142 8 0 "[ . 1 . 2]" 1 97 4 7 TYR H 4 8 ASP H 3.600 . 3.600 2.511 2.456 2.549 . 0 0 "[ . 1 . 2]" 1 98 4 7 TYR H 4 17 TYR QE 3.600 . 3.600 2.499 2.284 2.863 . 0 0 "[ . 1 . 2]" 1 99 4 7 TYR HA 4 7 TYR QE 4.600 . 4.600 4.062 3.943 4.229 . 0 0 "[ . 1 . 2]" 1 100 4 7 TYR HA 4 8 ASP H 3.600 . 3.600 3.467 3.442 3.489 . 0 0 "[ . 1 . 2]" 1 101 4 7 TYR HA 4 10 ALA H 3.600 . 3.600 3.510 3.414 3.622 0.022 13 0 "[ . 1 . 2]" 1 102 4 7 TYR HA 4 11 GLU H 4.500 . 4.500 4.026 3.956 4.130 . 0 0 "[ . 1 . 2]" 1 103 4 7 TYR HA 4 17 TYR QE 3.600 . 3.600 3.626 3.434 3.945 0.345 16 0 "[ . 1 . 2]" 1 104 4 7 TYR HB2 4 7 TYR QE 4.300 . 4.300 4.412 4.377 4.450 0.150 9 0 "[ . 1 . 2]" 1 105 4 7 TYR HB2 4 8 ASP H 3.600 . 3.600 2.873 2.754 3.011 . 0 0 "[ . 1 . 2]" 1 106 4 7 TYR HB3 4 7 TYR QE 4.600 . 4.600 4.499 4.454 4.521 . 0 0 "[ . 1 . 2]" 1 107 4 7 TYR HB3 4 8 ASP H 3.600 . 3.600 3.148 2.853 3.371 . 0 0 "[ . 1 . 2]" 1 108 4 7 TYR QD 4 10 ALA MB 3.600 . 3.600 3.030 2.892 3.199 . 0 0 "[ . 1 . 2]" 1 109 4 7 TYR QD 4 17 TYR HB2 3.600 . 3.600 2.187 2.006 2.434 . 0 0 "[ . 1 . 2]" 1 110 4 7 TYR QD 4 17 TYR HB3 4.000 . 4.000 3.884 3.678 4.137 0.137 18 0 "[ . 1 . 2]" 1 111 4 8 ASP H 4 8 ASP HB2 3.600 . 3.600 2.213 2.062 2.308 . 0 0 "[ . 1 . 2]" 1 112 4 8 ASP H 4 8 ASP HB3 3.600 . 3.600 3.502 3.391 3.550 . 0 0 "[ . 1 . 2]" 1 113 4 8 ASP H 4 10 ALA H 3.600 . 3.600 3.813 3.772 3.850 0.250 20 0 "[ . 1 . 2]" 1 114 4 8 ASP H 4 11 GLU H 4.500 . 4.500 4.591 4.554 4.630 0.130 9 0 "[ . 1 . 2]" 1 115 4 8 ASP HA 4 9 VAL H 3.600 . 3.600 3.505 3.491 3.520 . 0 0 "[ . 1 . 2]" 1 116 4 8 ASP HA 4 11 GLU H 3.600 . 3.600 3.574 3.491 3.631 0.031 7 0 "[ . 1 . 2]" 1 117 4 8 ASP HA 4 11 GLU QB 3.600 . 3.600 2.881 2.745 3.006 . 0 0 "[ . 1 . 2]" 1 118 4 8 ASP HA 4 45 LEU QD 3.600 . 3.600 3.768 3.707 3.856 0.256 10 0 "[ . 1 . 2]" 1 119 4 8 ASP HB2 4 9 VAL H 3.600 . 3.600 2.674 2.584 2.849 . 0 0 "[ . 1 . 2]" 1 120 4 8 ASP HB2 4 9 VAL MG2 3.600 . 3.600 3.472 3.343 3.667 0.067 12 0 "[ . 1 . 2]" 1 121 4 8 ASP HB2 4 45 LEU QD 3.600 . 3.600 3.436 3.200 3.614 0.014 12 0 "[ . 1 . 2]" 1 122 4 8 ASP HB3 4 9 VAL H 3.600 . 3.600 3.374 3.181 3.534 . 0 0 "[ . 1 . 2]" 1 123 4 8 ASP HB3 4 9 VAL MG2 5.500 . 5.500 3.808 3.607 4.042 . 0 0 "[ . 1 . 2]" 1 124 4 8 ASP HB3 4 45 LEU QD 3.600 . 3.600 2.353 2.269 2.452 . 0 0 "[ . 1 . 2]" 1 125 4 9 VAL H 4 9 VAL HB 3.600 . 3.600 2.415 2.378 2.439 . 0 0 "[ . 1 . 2]" 1 126 4 9 VAL H 4 9 VAL MG1 3.600 . 3.600 3.717 3.702 3.728 0.128 5 0 "[ . 1 . 2]" 1 127 4 9 VAL H 4 9 VAL MG2 3.600 . 3.600 2.377 2.288 2.439 . 0 0 "[ . 1 . 2]" 1 128 4 9 VAL H 4 10 ALA H 3.600 . 3.600 2.384 2.352 2.408 . 0 0 "[ . 1 . 2]" 1 129 4 9 VAL H 4 10 ALA MB 3.600 . 3.600 3.868 3.842 3.889 0.289 17 0 "[ . 1 . 2]" 1 130 4 9 VAL H 4 11 GLU H 4.500 . 4.500 4.060 4.035 4.110 . 0 0 "[ . 1 . 2]" 1 131 4 9 VAL H 4 45 LEU QD 3.600 . 3.600 3.415 3.380 3.467 . 0 0 "[ . 1 . 2]" 1 132 4 9 VAL HA 4 9 VAL MG2 3.600 . 3.600 2.255 2.232 2.278 . 0 0 "[ . 1 . 2]" 1 133 4 9 VAL HA 4 10 ALA H 3.600 . 3.600 3.476 3.463 3.486 . 0 0 "[ . 1 . 2]" 1 134 4 9 VAL HA 4 12 TYR H 3.600 . 3.600 3.624 3.606 3.648 0.048 9 0 "[ . 1 . 2]" 1 135 4 9 VAL HA 4 12 TYR HB2 3.600 . 3.600 3.609 3.498 3.649 0.049 4 0 "[ . 1 . 2]" 1 136 4 9 VAL HA 4 12 TYR HB3 3.600 . 3.600 2.620 2.561 2.662 . 0 0 "[ . 1 . 2]" 1 137 4 9 VAL HA 4 12 TYR QD 3.600 . 3.600 3.634 3.597 3.718 0.118 14 0 "[ . 1 . 2]" 1 138 4 9 VAL HA 4 13 ALA H 4.500 . 4.500 4.152 4.095 4.243 . 0 0 "[ . 1 . 2]" 1 139 4 9 VAL HA 4 41 ALA MB 3.600 . 3.600 2.392 2.329 2.516 . 0 0 "[ . 1 . 2]" 1 140 4 9 VAL HA 4 45 LEU QD 3.600 . 3.600 2.186 2.090 2.241 . 0 0 "[ . 1 . 2]" 1 141 4 9 VAL HB 4 10 ALA H 3.600 . 3.600 2.494 2.452 2.541 . 0 0 "[ . 1 . 2]" 1 142 4 9 VAL HB 4 10 ALA MB 5.500 . 5.500 3.870 3.794 3.908 . 0 0 "[ . 1 . 2]" 1 143 4 9 VAL HB 4 11 GLU H 5.000 . 5.000 5.052 5.017 5.085 0.085 11 0 "[ . 1 . 2]" 1 144 4 9 VAL MG1 4 12 TYR H 5.000 . 5.000 4.850 4.807 4.882 . 0 0 "[ . 1 . 2]" 1 145 4 9 VAL MG1 4 12 TYR QD 3.600 . 3.600 3.768 3.731 3.830 0.230 14 0 "[ . 1 . 2]" 1 146 4 9 VAL MG1 4 41 ALA MB 3.600 . 3.600 1.744 1.721 1.786 0.079 6 0 "[ . 1 . 2]" 1 147 4 9 VAL MG1 4 42 MET H 3.600 . 3.600 2.215 2.143 2.268 . 0 0 "[ . 1 . 2]" 1 148 4 9 VAL MG1 4 42 MET HA 3.600 . 3.600 2.747 2.682 2.798 . 0 0 "[ . 1 . 2]" 1 149 4 9 VAL MG1 4 42 MET QB 3.600 . 3.600 1.801 1.751 1.863 0.049 14 0 "[ . 1 . 2]" 1 150 4 9 VAL MG1 4 42 MET ME 3.600 . 3.600 1.762 1.722 1.793 0.078 10 0 "[ . 1 . 2]" 1 151 4 9 VAL MG1 4 42 MET QG 3.600 . 3.600 3.050 2.977 3.106 . 0 0 "[ . 1 . 2]" 1 152 4 9 VAL MG1 4 45 LEU QD 3.600 . 3.600 3.602 3.554 3.640 0.040 3 0 "[ . 1 . 2]" 1 153 4 9 VAL MG1 4 47 TYR QD 3.600 . 3.600 3.679 3.634 3.714 0.114 8 0 "[ . 1 . 2]" 1 154 4 9 VAL MG2 4 10 ALA H 3.600 . 3.600 3.754 3.730 3.779 0.179 20 0 "[ . 1 . 2]" 1 155 4 9 VAL MG2 4 41 ALA MB 3.600 . 3.600 3.402 3.335 3.484 . 0 0 "[ . 1 . 2]" 1 156 4 9 VAL MG2 4 42 MET H 3.600 . 3.600 3.482 3.441 3.535 . 0 0 "[ . 1 . 2]" 1 157 4 9 VAL MG2 4 42 MET HA 3.600 . 3.600 1.954 1.836 2.007 . 0 0 "[ . 1 . 2]" 1 158 4 9 VAL MG2 4 42 MET ME 3.600 . 3.600 2.890 2.786 2.994 . 0 0 "[ . 1 . 2]" 1 159 4 9 VAL MG2 4 42 MET QG 3.600 . 3.600 3.803 3.773 3.847 0.247 1 0 "[ . 1 . 2]" 1 160 4 9 VAL MG2 4 45 LEU HA 5.500 . 5.500 5.533 5.423 5.606 0.106 3 0 "[ . 1 . 2]" 1 161 4 9 VAL MG2 4 45 LEU QD 3.600 . 3.600 2.334 2.220 2.436 . 0 0 "[ . 1 . 2]" 1 162 4 9 VAL MG2 4 45 LEU HG 3.600 . 3.600 3.546 3.436 3.616 0.016 7 0 "[ . 1 . 2]" 1 163 4 9 VAL MG2 4 47 TYR HB2 3.600 . 3.600 2.357 2.197 2.648 . 0 0 "[ . 1 . 2]" 1 164 4 9 VAL MG2 4 47 TYR HB3 4.500 . 4.500 3.326 2.878 3.672 . 0 0 "[ . 1 . 2]" 1 165 4 9 VAL MG2 4 47 TYR QD 3.600 . 3.600 2.713 2.648 2.820 . 0 0 "[ . 1 . 2]" 1 166 4 9 VAL MG2 4 47 TYR QE 3.600 . 3.600 3.555 3.420 3.647 0.047 14 0 "[ . 1 . 2]" 1 167 4 10 ALA H 4 10 ALA MB 3.600 . 3.600 1.984 1.940 2.021 . 0 0 "[ . 1 . 2]" 1 168 4 10 ALA H 4 11 GLU H 4.500 . 4.500 2.743 2.694 2.806 . 0 0 "[ . 1 . 2]" 1 169 4 10 ALA H 4 20 VAL MG1 3.600 . 3.600 3.607 3.491 3.700 0.100 17 0 "[ . 1 . 2]" 1 170 4 10 ALA HA 4 11 GLU H 3.600 . 3.600 3.527 3.510 3.545 . 0 0 "[ . 1 . 2]" 1 171 4 10 ALA HA 4 13 ALA H 3.600 . 3.600 3.488 3.427 3.550 . 0 0 "[ . 1 . 2]" 1 172 4 10 ALA HA 4 13 ALA MB 3.600 . 3.600 2.685 2.593 2.745 . 0 0 "[ . 1 . 2]" 1 173 4 10 ALA HA 4 14 GLY H 4.000 . 4.000 4.130 4.096 4.160 0.160 13 0 "[ . 1 . 2]" 1 174 4 10 ALA HA 4 15 VAL H 3.600 . 3.600 3.619 3.562 3.677 0.077 17 0 "[ . 1 . 2]" 1 175 4 10 ALA HA 4 20 VAL H 4.500 . 4.500 4.378 4.167 4.509 0.009 6 0 "[ . 1 . 2]" 1 176 4 10 ALA HA 4 20 VAL MG1 3.600 . 3.600 1.816 1.763 1.918 0.037 15 0 "[ . 1 . 2]" 1 177 4 10 ALA HA 4 20 VAL MG2 3.600 . 3.600 3.340 3.205 3.497 . 0 0 "[ . 1 . 2]" 1 178 4 10 ALA MB 4 11 GLU H 3.600 . 3.600 2.572 2.535 2.635 . 0 0 "[ . 1 . 2]" 1 179 4 10 ALA MB 4 16 SER HA 3.600 . 3.600 3.633 3.519 3.705 0.105 7 0 "[ . 1 . 2]" 1 180 4 10 ALA MB 4 17 TYR H 3.600 . 3.600 3.411 3.269 3.559 . 0 0 "[ . 1 . 2]" 1 181 4 10 ALA MB 4 17 TYR HA 3.600 . 3.600 1.898 1.782 2.092 0.018 13 0 "[ . 1 . 2]" 1 182 4 10 ALA MB 4 17 TYR QD 3.600 . 3.600 2.782 2.667 2.940 . 0 0 "[ . 1 . 2]" 1 183 4 10 ALA MB 4 17 TYR QE 4.500 . 4.500 4.407 4.239 4.596 0.096 10 0 "[ . 1 . 2]" 1 184 4 10 ALA MB 4 20 VAL H 3.600 . 3.600 3.618 3.463 3.756 0.156 9 0 "[ . 1 . 2]" 1 185 4 10 ALA MB 4 20 VAL MG1 3.600 . 3.600 2.101 1.996 2.217 . 0 0 "[ . 1 . 2]" 1 186 4 10 ALA MB 4 20 VAL MG2 3.600 . 3.600 2.966 2.820 3.148 . 0 0 "[ . 1 . 2]" 1 187 4 11 GLU H 4 11 GLU QB 3.600 . 3.600 2.153 2.053 2.366 . 0 0 "[ . 1 . 2]" 1 188 4 11 GLU H 4 11 GLU QG 3.600 . 3.600 3.215 2.450 3.821 0.221 5 0 "[ . 1 . 2]" 1 189 4 11 GLU H 4 12 TYR H 3.600 . 3.600 2.585 2.532 2.625 . 0 0 "[ . 1 . 2]" 1 190 4 11 GLU H 4 13 ALA H 3.600 . 3.600 3.799 3.773 3.837 0.237 14 0 "[ . 1 . 2]" 1 191 4 11 GLU HA 4 11 GLU QG 3.600 . 3.600 2.513 2.126 3.268 . 0 0 "[ . 1 . 2]" 1 192 4 11 GLU HA 4 14 GLY H 3.600 . 3.600 3.301 3.224 3.352 . 0 0 "[ . 1 . 2]" 1 193 4 11 GLU HA 4 15 VAL H 3.600 . 3.600 3.700 3.633 3.774 0.174 6 0 "[ . 1 . 2]" 1 194 4 11 GLU QB 4 12 TYR H 4.500 . 4.500 2.489 2.254 2.741 . 0 0 "[ . 1 . 2]" 1 195 4 12 TYR H 4 12 TYR HB2 3.600 . 3.600 2.410 2.358 2.451 . 0 0 "[ . 1 . 2]" 1 196 4 12 TYR H 4 12 TYR HB3 3.600 . 3.600 2.537 2.518 2.556 . 0 0 "[ . 1 . 2]" 1 197 4 12 TYR H 4 12 TYR QD 4.600 . 4.600 4.139 4.100 4.170 . 0 0 "[ . 1 . 2]" 1 198 4 12 TYR H 4 13 ALA H 3.600 . 3.600 2.690 2.667 2.717 . 0 0 "[ . 1 . 2]" 1 199 4 12 TYR H 4 13 ALA MB 4.600 . 4.600 4.401 4.366 4.429 . 0 0 "[ . 1 . 2]" 1 200 4 12 TYR H 4 41 ALA MB 5.500 . 5.500 3.934 3.906 3.974 . 0 0 "[ . 1 . 2]" 1 201 4 12 TYR H 4 45 LEU QD 3.600 . 3.600 3.468 3.374 3.563 . 0 0 "[ . 1 . 2]" 1 202 4 12 TYR HA 4 12 TYR QD 3.600 . 3.600 2.369 2.286 2.432 . 0 0 "[ . 1 . 2]" 1 203 4 12 TYR HA 4 12 TYR QE 4.600 . 4.600 4.472 4.394 4.518 . 0 0 "[ . 1 . 2]" 1 204 4 12 TYR HA 4 13 ALA H 3.600 . 3.600 3.510 3.500 3.532 . 0 0 "[ . 1 . 2]" 1 205 4 12 TYR HB2 4 12 TYR QE 4.600 . 4.600 4.466 4.452 4.490 . 0 0 "[ . 1 . 2]" 1 206 4 12 TYR HB2 4 13 ALA H 4.300 . 4.300 4.036 3.995 4.076 . 0 0 "[ . 1 . 2]" 1 207 4 12 TYR HB2 4 41 ALA MB 3.600 . 3.600 3.637 3.610 3.659 0.059 18 0 "[ . 1 . 2]" 1 208 4 12 TYR HB2 4 45 LEU QD 3.600 . 3.600 1.924 1.833 2.051 . 0 0 "[ . 1 . 2]" 1 209 4 12 TYR HB3 4 12 TYR QE 4.300 . 4.300 4.347 4.333 4.384 0.084 14 0 "[ . 1 . 2]" 1 210 4 12 TYR HB3 4 13 ALA H 3.600 . 3.600 2.928 2.866 2.978 . 0 0 "[ . 1 . 2]" 1 211 4 12 TYR HB3 4 41 ALA MB 3.600 . 3.600 2.090 2.063 2.134 . 0 0 "[ . 1 . 2]" 1 212 4 12 TYR HB3 4 45 LEU QD 3.600 . 3.600 2.403 2.320 2.508 . 0 0 "[ . 1 . 2]" 1 213 4 12 TYR QD 4 13 ALA H 4.600 . 4.600 4.252 4.190 4.290 . 0 0 "[ . 1 . 2]" 1 214 4 12 TYR QD 4 13 ALA HA 4.600 . 4.600 4.317 4.211 4.379 . 0 0 "[ . 1 . 2]" 1 215 4 12 TYR QD 4 13 ALA MB 4.000 . 4.000 4.191 4.111 4.247 0.247 4 0 "[ . 1 . 2]" 1 216 4 12 TYR QD 4 41 ALA MB 3.600 . 3.600 1.868 1.817 1.930 . 0 0 "[ . 1 . 2]" 1 217 4 12 TYR QD 4 44 GLU QG 3.600 . 3.600 3.776 3.674 3.861 0.261 1 0 "[ . 1 . 2]" 1 218 4 12 TYR QD 4 45 LEU QD 3.600 . 3.600 2.665 2.622 2.710 . 0 0 "[ . 1 . 2]" 1 219 4 12 TYR QD 4 45 LEU HG 3.600 . 3.600 2.782 2.649 2.845 . 0 0 "[ . 1 . 2]" 1 220 4 12 TYR QE 4 40 ALA MB 3.600 . 3.600 3.811 3.749 3.876 0.276 15 0 "[ . 1 . 2]" 1 221 4 12 TYR QE 4 41 ALA MB 3.600 . 3.600 3.574 3.520 3.659 0.059 14 0 "[ . 1 . 2]" 1 222 4 12 TYR QE 4 44 GLU QB 3.600 . 3.600 1.981 1.914 2.047 . 0 0 "[ . 1 . 2]" 1 223 4 12 TYR QE 4 44 GLU QG 3.600 . 3.600 1.702 1.631 1.778 0.169 9 0 "[ . 1 . 2]" 1 224 4 12 TYR QE 4 45 LEU H 3.600 . 3.600 3.830 3.791 3.938 0.338 9 0 "[ . 1 . 2]" 1 225 4 12 TYR QE 4 45 LEU QD 3.600 . 3.600 3.004 2.905 3.084 . 0 0 "[ . 1 . 2]" 1 226 4 12 TYR QE 4 45 LEU HG 3.600 . 3.600 3.667 3.627 3.780 0.180 14 0 "[ . 1 . 2]" 1 227 4 13 ALA H 4 14 GLY H 3.600 . 3.600 2.186 2.141 2.242 . 0 0 "[ . 1 . 2]" 1 228 4 13 ALA H 4 14 GLY QA 5.500 . 5.500 4.132 4.083 4.192 . 0 0 "[ . 1 . 2]" 1 229 4 13 ALA H 4 15 VAL H 3.600 . 3.600 3.727 3.692 3.753 0.153 12 0 "[ . 1 . 2]" 1 230 4 13 ALA H 4 15 VAL MG2 3.600 . 3.600 3.702 3.649 3.744 0.144 17 0 "[ . 1 . 2]" 1 231 4 13 ALA H 4 41 ALA MB 4.000 . 4.000 2.950 2.898 3.003 . 0 0 "[ . 1 . 2]" 1 232 4 13 ALA H 4 45 LEU QD 5.000 . 5.000 4.663 4.568 4.742 . 0 0 "[ . 1 . 2]" 1 233 4 13 ALA HA 4 14 GLY H 3.600 . 3.600 3.460 3.445 3.478 . 0 0 "[ . 1 . 2]" 1 234 4 13 ALA HA 4 41 ALA H 3.600 . 3.600 4.236 4.195 4.273 0.673 18 20 [-****************+**] 1 235 4 13 ALA MB 4 14 GLY H 3.600 . 3.600 2.729 2.686 2.767 . 0 0 "[ . 1 . 2]" 1 236 4 13 ALA MB 4 14 GLY QA 4.000 . 4.000 3.916 3.881 3.939 . 0 0 "[ . 1 . 2]" 1 237 4 13 ALA MB 4 15 VAL H 3.600 . 3.600 2.944 2.883 3.030 . 0 0 "[ . 1 . 2]" 1 238 4 13 ALA MB 4 15 VAL MG1 3.600 . 3.600 3.273 3.123 3.385 . 0 0 "[ . 1 . 2]" 1 239 4 13 ALA MB 4 15 VAL MG2 3.600 . 3.600 1.789 1.748 1.890 0.052 8 0 "[ . 1 . 2]" 1 240 4 13 ALA MB 4 37 LYS QE 3.600 . 3.600 3.616 3.540 3.660 0.060 5 0 "[ . 1 . 2]" 1 241 4 13 ALA MB 4 38 VAL HA 3.600 . 3.600 2.100 2.034 2.174 . 0 0 "[ . 1 . 2]" 1 242 4 13 ALA MB 4 38 VAL MG1 4.000 . 4.000 2.569 2.489 2.638 . 0 0 "[ . 1 . 2]" 1 243 4 13 ALA MB 4 38 VAL MG2 4.000 . 4.000 4.223 4.182 4.269 0.269 14 0 "[ . 1 . 2]" 1 244 4 13 ALA MB 4 41 ALA HA 5.500 . 5.500 4.333 4.287 4.410 . 0 0 "[ . 1 . 2]" 1 245 4 13 ALA MB 4 41 ALA MB 3.600 . 3.600 1.994 1.950 2.052 . 0 0 "[ . 1 . 2]" 1 246 4 14 GLY H 4 15 VAL H 3.600 . 3.600 2.157 2.096 2.207 . 0 0 "[ . 1 . 2]" 1 247 4 14 GLY H 4 15 VAL MG1 4.000 . 4.000 4.237 4.170 4.308 0.308 17 0 "[ . 1 . 2]" 1 248 4 14 GLY H 4 15 VAL MG2 3.600 . 3.600 3.094 3.029 3.195 . 0 0 "[ . 1 . 2]" 1 249 4 14 GLY H 4 20 VAL MG1 5.500 . 5.500 4.792 4.628 4.965 . 0 0 "[ . 1 . 2]" 1 250 4 14 GLY QA 4 15 VAL H 3.600 . 3.600 2.713 2.683 2.752 . 0 0 "[ . 1 . 2]" 1 251 4 14 GLY QA 4 15 VAL MG1 3.600 . 3.600 3.457 3.416 3.524 . 0 0 "[ . 1 . 2]" 1 252 4 14 GLY QA 4 15 VAL MG2 3.600 . 3.600 3.740 3.685 3.804 0.204 13 0 "[ . 1 . 2]" 1 253 4 15 VAL H 4 15 VAL MG1 3.600 . 3.600 3.180 3.117 3.238 . 0 0 "[ . 1 . 2]" 1 254 4 15 VAL H 4 15 VAL MG2 3.600 . 3.600 2.076 1.988 2.223 . 0 0 "[ . 1 . 2]" 1 255 4 15 VAL H 4 16 SER H 4.500 . 4.500 4.421 4.372 4.479 . 0 0 "[ . 1 . 2]" 1 256 4 15 VAL HA 4 15 VAL MG1 3.600 . 3.600 2.246 2.211 2.298 . 0 0 "[ . 1 . 2]" 1 257 4 15 VAL HA 4 19 THR MG 5.500 . 5.500 3.743 3.626 3.966 . 0 0 "[ . 1 . 2]" 1 258 4 15 VAL HB 4 16 SER H 3.600 . 3.600 2.736 2.580 2.819 . 0 0 "[ . 1 . 2]" 1 259 4 15 VAL MG1 4 16 SER H 3.600 . 3.600 3.600 3.514 3.691 0.091 19 0 "[ . 1 . 2]" 1 260 4 15 VAL MG1 4 19 THR HB 3.600 . 3.600 3.722 3.561 3.805 0.205 15 0 "[ . 1 . 2]" 1 261 4 15 VAL MG1 4 19 THR MG 3.600 . 3.600 2.231 2.041 2.447 . 0 0 "[ . 1 . 2]" 1 262 4 15 VAL MG1 4 37 LYS QE 3.600 . 3.600 2.635 1.978 3.120 . 0 0 "[ . 1 . 2]" 1 263 4 15 VAL MG2 4 16 SER H 3.600 . 3.600 3.815 3.733 3.884 0.284 12 0 "[ . 1 . 2]" 1 264 4 15 VAL MG2 4 19 THR HB 3.600 . 3.600 2.521 2.361 2.702 . 0 0 "[ . 1 . 2]" 1 265 4 15 VAL MG2 4 19 THR MG 3.600 . 3.600 2.570 2.401 2.779 . 0 0 "[ . 1 . 2]" 1 266 4 15 VAL MG2 4 37 LYS QE 3.600 . 3.600 3.677 3.348 3.836 0.236 17 0 "[ . 1 . 2]" 1 267 4 16 SER H 4 16 SER HB3 3.600 . 3.600 3.386 2.266 3.647 0.047 5 0 "[ . 1 . 2]" 1 268 4 16 SER H 4 17 TYR H 4.500 . 4.500 4.603 4.574 4.634 0.134 16 0 "[ . 1 . 2]" 1 269 4 16 SER H 4 19 THR HB 4.500 . 4.500 3.283 3.095 3.548 . 0 0 "[ . 1 . 2]" 1 270 4 16 SER H 4 19 THR MG 3.600 . 3.600 3.542 3.372 3.647 0.047 10 0 "[ . 1 . 2]" 1 271 4 16 SER H 4 38 VAL MG1 6.000 . 6.000 6.098 5.946 6.198 0.198 5 0 "[ . 1 . 2]" 1 272 4 16 SER HA 4 17 TYR H 3.600 . 3.600 2.279 2.204 2.336 . 0 0 "[ . 1 . 2]" 1 273 4 16 SER HA 4 17 TYR HA 4.500 . 4.500 4.257 4.181 4.368 . 0 0 "[ . 1 . 2]" 1 274 4 16 SER HA 4 17 TYR HB2 4.600 . 4.600 4.457 4.314 4.546 . 0 0 "[ . 1 . 2]" 1 275 4 16 SER HA 4 17 TYR HB3 4.500 . 4.500 4.655 4.595 4.721 0.221 9 0 "[ . 1 . 2]" 1 276 4 16 SER HA 4 18 GLN H 5.000 . 5.000 4.736 4.561 5.166 0.166 12 0 "[ . 1 . 2]" 1 277 4 16 SER HB2 4 17 TYR H 3.600 . 3.600 3.309 2.392 3.643 0.043 8 0 "[ . 1 . 2]" 1 278 4 16 SER HB2 4 18 GLN H 4.500 . 4.500 3.750 3.443 4.223 . 0 0 "[ . 1 . 2]" 1 279 4 16 SER HB3 4 17 TYR H 4.500 . 4.500 2.784 2.313 3.876 . 0 0 "[ . 1 . 2]" 1 280 4 17 TYR H 4 17 TYR HB2 3.600 . 3.600 2.408 2.281 2.499 . 0 0 "[ . 1 . 2]" 1 281 4 17 TYR H 4 17 TYR HB3 3.600 . 3.600 2.391 2.312 2.495 . 0 0 "[ . 1 . 2]" 1 282 4 17 TYR H 4 17 TYR QD 4.600 . 4.600 4.077 4.005 4.139 . 0 0 "[ . 1 . 2]" 1 283 4 17 TYR H 4 18 GLN H 3.600 . 3.600 2.942 2.750 3.197 . 0 0 "[ . 1 . 2]" 1 284 4 17 TYR HA 4 17 TYR QD 3.600 . 3.600 2.483 2.323 2.620 . 0 0 "[ . 1 . 2]" 1 285 4 17 TYR HA 4 17 TYR QE 4.300 . 4.300 4.508 4.428 4.613 0.313 13 0 "[ . 1 . 2]" 1 286 4 17 TYR HA 4 20 VAL MG1 4.600 . 4.600 3.167 2.945 3.345 . 0 0 "[ . 1 . 2]" 1 287 4 17 TYR HA 4 20 VAL MG2 3.600 . 3.600 3.766 3.679 3.894 0.294 19 0 "[ . 1 . 2]" 1 288 4 17 TYR HB2 4 17 TYR QE 4.600 2.800 4.600 4.393 4.329 4.457 . 0 0 "[ . 1 . 2]" 1 289 4 17 TYR HB2 4 18 GLN H 3.600 . 3.600 3.578 3.436 3.796 0.196 4 0 "[ . 1 . 2]" 1 290 4 17 TYR HB3 4 17 TYR QE 4.300 . 4.300 4.332 4.271 4.400 0.100 5 0 "[ . 1 . 2]" 1 291 4 17 TYR HB3 4 18 GLN H 3.600 . 3.600 2.079 1.909 2.342 . 0 0 "[ . 1 . 2]" 1 292 4 17 TYR QD 4 18 GLN H 3.600 . 3.600 2.927 2.458 3.240 . 0 0 "[ . 1 . 2]" 1 293 4 17 TYR QD 4 18 GLN QB 3.600 . 3.600 3.533 2.943 3.949 0.349 4 0 "[ . 1 . 2]" 1 294 4 17 TYR QD 4 18 GLN QG 4.600 . 4.600 3.086 1.703 4.523 0.097 1 0 "[ . 1 . 2]" 1 295 4 17 TYR QD 4 20 VAL MG1 4.600 . 4.600 4.665 4.558 4.723 0.123 6 0 "[ . 1 . 2]" 1 296 4 17 TYR QD 4 20 VAL MG2 4.600 . 4.600 4.350 4.247 4.460 . 0 0 "[ . 1 . 2]" 1 297 4 17 TYR QE 4 18 GLN QG 5.000 . 5.000 4.520 3.172 5.127 0.127 10 0 "[ . 1 . 2]" 1 298 4 17 TYR QE 4 20 VAL MG2 4.600 . 4.600 4.845 4.755 4.953 0.353 14 0 "[ . 1 . 2]" 1 299 4 18 GLN H 4 18 GLN QB 3.600 . 3.600 2.712 1.955 3.097 . 0 0 "[ . 1 . 2]" 1 300 4 18 GLN H 4 19 THR H 3.600 . 3.600 2.835 2.658 3.127 . 0 0 "[ . 1 . 2]" 1 301 4 18 GLN HA 4 18 GLN QG 3.600 . 3.600 2.921 2.127 3.282 . 0 0 "[ . 1 . 2]" 1 302 4 18 GLN QB 4 19 THR H 5.500 . 5.500 3.823 3.522 4.018 . 0 0 "[ . 1 . 2]" 1 303 4 18 GLN QG 4 19 THR H 5.500 . 5.500 4.046 3.185 5.109 . 0 0 "[ . 1 . 2]" 1 304 4 19 THR H 4 19 THR HB 3.600 . 3.600 2.566 2.380 2.917 . 0 0 "[ . 1 . 2]" 1 305 4 19 THR H 4 19 THR MG 3.600 . 3.600 3.796 3.714 3.926 0.326 20 0 "[ . 1 . 2]" 1 306 4 19 THR H 4 20 VAL H 3.600 . 3.600 2.390 2.145 2.734 . 0 0 "[ . 1 . 2]" 1 307 4 19 THR H 4 20 VAL MG1 3.600 . 3.600 3.320 3.126 3.729 0.129 19 0 "[ . 1 . 2]" 1 308 4 19 THR HA 4 19 THR MG 3.600 . 3.600 2.411 2.333 2.531 . 0 0 "[ . 1 . 2]" 1 309 4 19 THR HA 4 20 VAL H 3.600 . 3.600 3.492 3.425 3.590 . 0 0 "[ . 1 . 2]" 1 310 4 19 THR HA 4 20 VAL HA 4.600 . 4.600 4.732 4.671 4.826 0.226 4 0 "[ . 1 . 2]" 1 311 4 19 THR HA 4 22 ARG QB 3.600 . 3.600 3.549 3.320 3.853 0.253 14 0 "[ . 1 . 2]" 1 312 4 19 THR HA 4 22 ARG QD 3.600 . 3.600 3.481 3.233 3.734 0.134 12 0 "[ . 1 . 2]" 1 313 4 19 THR HA 4 22 ARG QG 5.500 . 5.500 4.932 4.056 5.379 . 0 0 "[ . 1 . 2]" 1 314 4 19 THR HB 4 21 SER H 4.500 . 4.500 4.470 4.217 4.674 0.174 14 0 "[ . 1 . 2]" 1 315 4 19 THR MG 4 20 VAL H 3.600 . 3.600 3.025 2.774 3.255 . 0 0 "[ . 1 . 2]" 1 316 4 19 THR MG 4 20 VAL HA 3.600 . 3.600 3.466 3.198 3.784 0.184 20 0 "[ . 1 . 2]" 1 317 4 19 THR MG 4 23 VAL H 5.500 . 5.500 5.114 4.881 5.365 . 0 0 "[ . 1 . 2]" 1 318 4 19 THR MG 4 35 ARG HA 5.500 . 5.500 5.603 5.385 5.746 0.246 3 0 "[ . 1 . 2]" 1 319 4 20 VAL H 4 20 VAL HB 3.600 . 3.600 3.393 3.172 3.536 . 0 0 "[ . 1 . 2]" 1 320 4 20 VAL H 4 20 VAL MG2 3.600 . 3.600 3.198 3.119 3.317 . 0 0 "[ . 1 . 2]" 1 321 4 20 VAL H 4 21 SER H 3.600 . 3.600 2.605 2.497 2.750 . 0 0 "[ . 1 . 2]" 1 322 4 20 VAL H 4 23 VAL MG2 4.000 . 4.000 3.835 3.701 3.980 . 0 0 "[ . 1 . 2]" 1 323 4 20 VAL HA 4 20 VAL MG1 3.600 . 3.600 2.883 2.715 3.051 . 0 0 "[ . 1 . 2]" 1 324 4 20 VAL HA 4 21 SER H 3.600 . 3.600 3.532 3.495 3.586 . 0 0 "[ . 1 . 2]" 1 325 4 20 VAL HA 4 23 VAL H 3.600 . 3.600 3.018 2.889 3.127 . 0 0 "[ . 1 . 2]" 1 326 4 20 VAL HA 4 23 VAL HA 4.500 . 4.500 4.657 4.566 4.777 0.277 12 0 "[ . 1 . 2]" 1 327 4 20 VAL HA 4 23 VAL HB 3.600 . 3.600 2.348 2.196 2.496 . 0 0 "[ . 1 . 2]" 1 328 4 20 VAL HA 4 23 VAL MG1 3.600 . 3.600 3.451 3.273 3.593 . 0 0 "[ . 1 . 2]" 1 329 4 20 VAL HA 4 23 VAL MG2 3.600 . 3.600 1.740 1.608 1.879 0.192 18 0 "[ . 1 . 2]" 1 330 4 20 VAL HA 4 24 VAL H 4.500 . 4.500 4.080 3.907 4.192 . 0 0 "[ . 1 . 2]" 1 331 4 20 VAL HB 4 21 SER H 4.200 . 4.200 4.314 4.263 4.387 0.187 3 0 "[ . 1 . 2]" 1 332 4 20 VAL HB 4 23 VAL MG1 3.600 . 3.600 3.877 3.765 4.024 0.424 5 0 "[ . 1 . 2]" 1 333 4 20 VAL MG1 4 21 SER H 3.600 . 3.600 3.063 2.921 3.206 . 0 0 "[ . 1 . 2]" 1 334 4 20 VAL MG1 4 38 VAL H 5.500 . 5.500 4.801 4.653 4.908 . 0 0 "[ . 1 . 2]" 1 335 4 20 VAL MG1 4 38 VAL HA 3.600 . 3.600 3.455 3.268 3.614 0.014 1 0 "[ . 1 . 2]" 1 336 4 20 VAL MG2 4 21 SER H 3.600 . 3.600 2.710 2.556 2.817 . 0 0 "[ . 1 . 2]" 1 337 4 20 VAL MG2 4 38 VAL H 5.500 . 5.500 5.589 5.516 5.711 0.211 19 0 "[ . 1 . 2]" 1 338 4 20 VAL MG2 4 38 VAL HA 4.000 . 4.000 3.883 3.787 4.017 0.017 13 0 "[ . 1 . 2]" 1 339 4 21 SER H 4 21 SER QB 3.600 . 3.600 2.380 2.169 2.648 . 0 0 "[ . 1 . 2]" 1 340 4 21 SER H 4 22 ARG H 3.600 . 3.600 2.623 2.545 2.787 . 0 0 "[ . 1 . 2]" 1 341 4 21 SER HA 4 22 ARG H 3.600 . 3.600 3.485 3.449 3.527 . 0 0 "[ . 1 . 2]" 1 342 4 21 SER HA 4 23 VAL H 4.000 . 4.000 3.922 3.820 4.046 0.046 17 0 "[ . 1 . 2]" 1 343 4 21 SER QB 4 22 ARG H 3.600 . 3.600 2.805 2.645 3.477 . 0 0 "[ . 1 . 2]" 1 344 4 22 ARG H 4 22 ARG QB 3.600 . 3.600 2.042 1.987 2.273 . 0 0 "[ . 1 . 2]" 1 345 4 22 ARG H 4 22 ARG QD 5.500 . 5.500 4.004 3.470 4.188 . 0 0 "[ . 1 . 2]" 1 346 4 22 ARG H 4 22 ARG QG 3.600 . 3.600 3.556 2.734 3.740 0.140 1 0 "[ . 1 . 2]" 1 347 4 22 ARG H 4 23 VAL MG1 5.500 . 5.500 5.555 5.513 5.603 0.103 19 0 "[ . 1 . 2]" 1 348 4 22 ARG H 4 23 VAL MG2 5.500 . 5.500 3.714 3.499 3.925 . 0 0 "[ . 1 . 2]" 1 349 4 22 ARG H 4 27 ALA MB 5.500 . 5.500 5.319 4.433 5.643 0.143 14 0 "[ . 1 . 2]" 1 350 4 22 ARG HA 4 22 ARG QG 3.600 . 3.600 2.860 2.317 3.206 . 0 0 "[ . 1 . 2]" 1 351 4 22 ARG HA 4 25 ASN H 3.600 . 3.600 3.308 3.103 3.544 . 0 0 "[ . 1 . 2]" 1 352 4 22 ARG HA 4 25 ASN QB 5.500 . 5.500 2.484 2.145 2.903 . 0 0 "[ . 1 . 2]" 1 353 4 22 ARG HA 4 26 GLN H 4.600 . 4.600 4.704 4.586 4.872 0.272 4 0 "[ . 1 . 2]" 1 354 4 22 ARG QB 4 23 VAL HA 5.500 . 5.500 4.500 3.766 4.763 . 0 0 "[ . 1 . 2]" 1 355 4 22 ARG QD 4 27 ALA MB 3.600 . 3.600 3.633 3.135 3.896 0.296 20 0 "[ . 1 . 2]" 1 356 4 22 ARG QD 4 30 VAL QG 3.600 . 3.600 2.164 1.715 3.658 0.085 3 0 "[ . 1 . 2]" 1 357 4 23 VAL H 4 23 VAL HB 3.600 . 3.600 2.388 2.328 2.457 . 0 0 "[ . 1 . 2]" 1 358 4 23 VAL H 4 23 VAL MG1 3.600 . 3.600 3.694 3.670 3.714 0.114 19 0 "[ . 1 . 2]" 1 359 4 23 VAL H 4 23 VAL MG2 3.600 . 3.600 2.213 1.967 2.407 . 0 0 "[ . 1 . 2]" 1 360 4 23 VAL H 4 24 VAL H 3.600 . 3.600 2.604 2.565 2.691 . 0 0 "[ . 1 . 2]" 1 361 4 23 VAL H 4 25 ASN H 3.600 . 3.600 3.693 3.596 3.767 0.167 13 0 "[ . 1 . 2]" 1 362 4 23 VAL HA 4 23 VAL MG1 3.600 . 3.600 2.520 2.427 2.579 . 0 0 "[ . 1 . 2]" 1 363 4 23 VAL HA 4 23 VAL MG2 3.600 . 3.600 2.295 2.222 2.383 . 0 0 "[ . 1 . 2]" 1 364 4 23 VAL HA 4 24 VAL H 3.600 . 3.600 3.529 3.517 3.548 . 0 0 "[ . 1 . 2]" 1 365 4 23 VAL HA 4 26 GLN H 3.600 . 3.600 3.877 3.625 4.167 0.567 10 3 "[ -. + * . 2]" 1 366 4 23 VAL HA 4 27 ALA H 4.500 . 4.500 3.313 2.736 5.453 0.953 13 1 "[ . 1 + . 2]" 1 367 4 23 VAL HA 4 27 ALA HA 3.600 . 3.600 3.331 2.397 6.391 2.791 13 2 "[ . 1 + . - 2]" 1 368 4 23 VAL HA 4 27 ALA MB 3.600 . 3.600 1.464 1.072 3.757 0.728 5 9 "[ *+** * *.* -*2]" 1 369 4 23 VAL HB 4 24 VAL H 3.600 . 3.600 2.283 2.222 2.360 . 0 0 "[ . 1 . 2]" 1 370 4 23 VAL HB 4 25 ASN H 5.000 . 5.000 4.590 4.512 4.645 . 0 0 "[ . 1 . 2]" 1 371 4 23 VAL HB 4 38 VAL MG2 3.600 . 3.600 2.611 2.383 2.844 . 0 0 "[ . 1 . 2]" 1 372 4 23 VAL MG1 4 35 ARG HA 3.600 . 3.600 2.795 2.376 3.155 . 0 0 "[ . 1 . 2]" 1 373 4 23 VAL MG1 4 35 ARG QB 3.600 . 3.600 3.424 3.042 3.681 0.081 6 0 "[ . 1 . 2]" 1 374 4 23 VAL MG1 4 35 ARG QD 3.600 . 3.600 3.390 2.871 3.719 0.119 8 0 "[ . 1 . 2]" 1 375 4 23 VAL MG1 4 35 ARG QG 3.600 . 3.600 2.305 1.798 2.899 0.002 20 0 "[ . 1 . 2]" 1 376 4 23 VAL MG1 4 38 VAL HB 5.500 . 5.500 3.650 3.482 3.825 . 0 0 "[ . 1 . 2]" 1 377 4 23 VAL MG1 4 39 GLU QG 3.600 . 3.600 3.388 2.788 3.744 0.144 3 0 "[ . 1 . 2]" 1 378 4 23 VAL MG2 4 34 THR HA 5.500 . 5.500 5.253 4.714 5.539 0.039 19 0 "[ . 1 . 2]" 1 379 4 23 VAL MG2 4 35 ARG HA 3.600 . 3.600 2.888 2.584 3.082 . 0 0 "[ . 1 . 2]" 1 380 4 24 VAL H 4 24 VAL HB 3.600 . 3.600 2.361 2.113 2.526 . 0 0 "[ . 1 . 2]" 1 381 4 24 VAL H 4 24 VAL MG2 3.500 . 3.500 2.396 2.162 2.971 . 0 0 "[ . 1 . 2]" 1 382 4 24 VAL HA 4 24 VAL MG1 3.600 . 3.600 2.562 2.422 2.845 . 0 0 "[ . 1 . 2]" 1 383 4 24 VAL HA 4 24 VAL MG2 3.600 . 3.600 2.249 2.151 2.328 . 0 0 "[ . 1 . 2]" 1 384 4 24 VAL HA 4 25 ASN H 3.600 . 3.600 3.442 3.419 3.464 . 0 0 "[ . 1 . 2]" 1 385 4 24 VAL HA 4 25 ASN QD 4.600 . 4.600 4.790 4.623 4.859 0.259 1 0 "[ . 1 . 2]" 1 386 4 24 VAL HB 4 25 ASN H 3.600 . 3.600 3.293 3.180 3.506 . 0 0 "[ . 1 . 2]" 1 387 4 24 VAL MG1 4 25 ASN QD 3.600 . 3.600 2.872 2.304 3.256 . 0 0 "[ . 1 . 2]" 1 388 4 24 VAL MG1 4 26 GLN H 4.600 . 4.600 4.666 4.550 4.763 0.163 14 0 "[ . 1 . 2]" 1 389 4 24 VAL MG1 4 47 TYR QE 3.600 . 3.600 3.161 2.836 3.504 . 0 0 "[ . 1 . 2]" 1 390 4 24 VAL MG2 4 25 ASN QD 4.600 . 4.600 4.381 4.164 4.585 . 0 0 "[ . 1 . 2]" 1 391 4 24 VAL MG2 4 42 MET ME 3.600 . 3.600 1.915 1.790 2.034 0.010 6 0 "[ . 1 . 2]" 1 392 4 24 VAL MG2 4 47 TYR QD 3.600 . 3.600 3.788 3.649 3.910 0.310 17 0 "[ . 1 . 2]" 1 393 4 24 VAL MG2 4 47 TYR QE 3.600 . 3.600 2.289 2.004 2.764 . 0 0 "[ . 1 . 2]" 1 394 4 25 ASN H 4 25 ASN QB 3.600 . 3.600 2.272 2.208 2.376 . 0 0 "[ . 1 . 2]" 1 395 4 25 ASN H 4 25 ASN QD 3.600 . 3.600 2.874 2.770 2.987 . 0 0 "[ . 1 . 2]" 1 396 4 25 ASN H 4 26 GLN H 3.600 . 3.600 2.333 2.129 2.500 . 0 0 "[ . 1 . 2]" 1 397 4 25 ASN H 4 27 ALA HA 5.000 . 5.000 5.187 5.104 5.366 0.366 13 0 "[ . 1 . 2]" 1 398 4 25 ASN QB 4 26 GLN H 5.500 . 5.500 3.429 3.227 3.677 . 0 0 "[ . 1 . 2]" 1 399 4 26 GLN H 4 26 GLN QB 3.600 . 3.600 3.409 3.071 3.494 . 0 0 "[ . 1 . 2]" 1 400 4 26 GLN H 4 26 GLN QG 3.600 . 3.600 3.322 3.043 3.935 0.335 15 0 "[ . 1 . 2]" 1 401 4 26 GLN H 4 27 ALA H 3.600 . 3.600 2.548 2.242 3.068 . 0 0 "[ . 1 . 2]" 1 402 4 26 GLN H 4 27 ALA MB 3.600 . 3.600 3.606 3.276 3.895 0.295 17 0 "[ . 1 . 2]" 1 403 4 26 GLN QB 4 26 GLN NE2 3.600 . 3.600 2.866 2.229 3.756 0.156 19 0 "[ . 1 . 2]" 1 404 4 26 GLN QG 4 27 ALA H 5.500 . 5.500 3.440 1.776 4.742 0.024 14 0 "[ . 1 . 2]" 1 405 4 27 ALA H 4 27 ALA MB 3.600 . 3.600 2.503 2.033 2.888 . 0 0 "[ . 1 . 2]" 1 406 4 28 SER H 4 29 HIS H 3.600 . 3.600 2.488 1.731 2.835 0.069 13 0 "[ . 1 . 2]" 1 407 4 28 SER HA 4 29 HIS H 3.600 . 3.600 3.374 3.159 3.478 . 0 0 "[ . 1 . 2]" 1 408 4 28 SER QB 4 29 HIS H 3.600 . 3.600 3.442 2.914 3.704 0.104 1 0 "[ . 1 . 2]" 1 409 4 28 SER QB 4 29 HIS HD2 5.500 . 5.500 4.035 3.194 4.813 . 0 0 "[ . 1 . 2]" 1 410 4 29 HIS H 4 29 HIS HB2 3.600 . 3.600 2.644 2.516 2.842 . 0 0 "[ . 1 . 2]" 1 411 4 29 HIS H 4 29 HIS HB3 3.600 . 3.600 3.726 3.647 3.775 0.175 18 0 "[ . 1 . 2]" 1 412 4 29 HIS H 4 29 HIS HD2 4.500 . 4.500 4.399 3.769 4.605 0.105 13 0 "[ . 1 . 2]" 1 413 4 29 HIS H 4 30 VAL H 3.600 . 3.600 3.618 3.172 3.782 0.182 6 0 "[ . 1 . 2]" 1 414 4 29 HIS H 4 30 VAL QG 3.600 . 3.600 2.892 2.636 3.528 . 0 0 "[ . 1 . 2]" 1 415 4 29 HIS HA 4 30 VAL H 3.600 . 3.600 2.320 2.173 3.184 . 0 0 "[ . 1 . 2]" 1 416 4 29 HIS HB3 4 29 HIS HD2 3.600 . 3.600 3.536 3.237 3.801 0.201 6 0 "[ . 1 . 2]" 1 417 4 30 VAL H 4 30 VAL HB 3.600 . 3.600 3.680 2.985 3.876 0.276 5 0 "[ . 1 . 2]" 1 418 4 30 VAL H 4 30 VAL QG 3.600 . 3.600 2.446 2.221 2.972 . 0 0 "[ . 1 . 2]" 1 419 4 30 VAL H 4 31 SER H 4.500 . 4.500 4.365 4.323 4.398 . 0 0 "[ . 1 . 2]" 1 420 4 30 VAL HB 4 31 SER H 3.600 . 3.600 2.534 1.749 3.791 0.191 12 0 "[ . 1 . 2]" 1 421 4 30 VAL QG 4 31 SER H 3.600 . 3.600 2.621 1.771 3.120 0.029 16 0 "[ . 1 . 2]" 1 422 4 30 VAL QG 4 31 SER HA 3.600 . 3.600 3.744 3.539 3.869 0.269 17 0 "[ . 1 . 2]" 1 423 4 31 SER H 4 31 SER QB 3.600 . 3.600 2.805 2.438 3.052 . 0 0 "[ . 1 . 2]" 1 424 4 31 SER H 4 32 ALA H 4.600 . 4.600 4.493 4.438 4.549 . 0 0 "[ . 1 . 2]" 1 425 4 31 SER HA 4 32 ALA H 3.600 . 3.600 2.516 2.337 2.667 . 0 0 "[ . 1 . 2]" 1 426 4 31 SER QB 4 32 ALA H 3.600 . 3.600 2.238 2.068 2.503 . 0 0 "[ . 1 . 2]" 1 427 4 31 SER QB 4 32 ALA MB 3.600 . 3.600 3.677 3.587 3.758 0.158 3 0 "[ . 1 . 2]" 1 428 4 32 ALA H 4 32 ALA MB 3.600 . 3.600 2.211 2.171 2.244 . 0 0 "[ . 1 . 2]" 1 429 4 32 ALA H 4 33 LYS H 3.600 . 3.600 2.965 2.714 3.149 . 0 0 "[ . 1 . 2]" 1 430 4 32 ALA HA 4 35 ARG QB 3.600 . 3.600 3.403 2.985 3.663 0.063 13 0 "[ . 1 . 2]" 1 431 4 32 ALA HA 4 35 ARG HE 3.600 . 3.600 3.406 2.820 3.683 0.083 16 0 "[ . 1 . 2]" 1 432 4 33 LYS H 4 33 LYS QB 3.600 . 3.600 2.435 2.105 2.694 . 0 0 "[ . 1 . 2]" 1 433 4 33 LYS H 4 33 LYS QD 3.600 . 3.600 3.504 2.673 3.776 0.176 13 0 "[ . 1 . 2]" 1 434 4 33 LYS H 4 33 LYS QG 4.000 . 4.000 2.647 1.760 4.048 0.048 7 0 "[ . 1 . 2]" 1 435 4 33 LYS HA 4 37 LYS H 4.000 . 4.000 4.116 4.047 4.235 0.235 3 0 "[ . 1 . 2]" 1 436 4 33 LYS QB 4 34 THR H 3.600 . 3.600 3.109 2.274 3.570 . 0 0 "[ . 1 . 2]" 1 437 4 33 LYS QB 4 37 LYS QE 3.600 . 3.600 3.719 3.655 3.879 0.279 17 0 "[ . 1 . 2]" 1 438 4 33 LYS QG 4 34 THR H 3.600 . 3.600 2.765 2.083 3.951 0.351 17 0 "[ . 1 . 2]" 1 439 4 33 LYS QG 4 37 LYS QE 3.600 . 3.600 3.577 3.342 3.690 0.090 10 0 "[ . 1 . 2]" 1 440 4 34 THR H 4 34 THR MG 3.600 . 3.600 3.712 3.689 3.736 0.136 12 0 "[ . 1 . 2]" 1 441 4 34 THR H 4 35 ARG H 3.600 . 3.600 2.842 2.709 2.975 . 0 0 "[ . 1 . 2]" 1 442 4 34 THR HA 4 34 THR MG 3.600 . 3.600 2.334 2.275 2.439 . 0 0 "[ . 1 . 2]" 1 443 4 34 THR HA 4 35 ARG H 4.500 . 4.500 3.568 3.531 3.588 . 0 0 "[ . 1 . 2]" 1 444 4 34 THR HA 4 37 LYS H 3.600 . 3.600 3.491 3.329 3.650 0.050 13 0 "[ . 1 . 2]" 1 445 4 34 THR HA 4 37 LYS QB 5.500 . 5.500 2.799 2.332 4.440 . 0 0 "[ . 1 . 2]" 1 446 4 34 THR HA 4 37 LYS QE 3.600 . 3.600 2.885 2.288 3.319 . 0 0 "[ . 1 . 2]" 1 447 4 34 THR HA 4 38 VAL MG1 3.600 . 3.600 3.412 3.267 3.547 . 0 0 "[ . 1 . 2]" 1 448 4 34 THR HB 4 35 ARG H 3.600 . 3.600 2.465 2.314 2.625 . 0 0 "[ . 1 . 2]" 1 449 4 34 THR MG 4 35 ARG H 3.600 . 3.600 3.528 3.290 3.643 0.043 7 0 "[ . 1 . 2]" 1 450 4 34 THR MG 4 37 LYS H 5.500 . 5.500 4.517 4.410 4.617 . 0 0 "[ . 1 . 2]" 1 451 4 34 THR MG 4 38 VAL H 3.600 . 3.600 3.785 3.700 3.848 0.248 14 0 "[ . 1 . 2]" 1 452 4 35 ARG H 4 35 ARG QB 3.600 . 3.600 2.332 2.040 2.513 . 0 0 "[ . 1 . 2]" 1 453 4 35 ARG H 4 35 ARG QD 5.500 . 5.500 4.182 2.907 4.768 . 0 0 "[ . 1 . 2]" 1 454 4 35 ARG H 4 35 ARG HE 4.500 . 4.500 4.154 3.376 4.565 0.065 5 0 "[ . 1 . 2]" 1 455 4 35 ARG H 4 35 ARG QG 3.600 . 3.600 2.595 2.088 3.724 0.124 6 0 "[ . 1 . 2]" 1 456 4 35 ARG H 4 36 GLU QG 3.600 . 3.600 3.712 3.669 3.738 0.138 3 0 "[ . 1 . 2]" 1 457 4 35 ARG HA 4 35 ARG QG 3.600 . 3.600 2.350 2.205 2.489 . 0 0 "[ . 1 . 2]" 1 458 4 35 ARG HA 4 38 VAL H 4.500 . 4.500 3.536 3.364 3.727 . 0 0 "[ . 1 . 2]" 1 459 4 35 ARG HA 4 38 VAL HB 5.000 . 5.000 4.813 4.577 5.000 0.000 13 0 "[ . 1 . 2]" 1 460 4 35 ARG HA 4 39 GLU H 4.500 . 4.500 3.658 3.431 3.907 . 0 0 "[ . 1 . 2]" 1 461 4 35 ARG QB 4 35 ARG HE 3.600 . 3.600 2.307 1.893 3.592 . 0 0 "[ . 1 . 2]" 1 462 4 35 ARG HE 4 35 ARG QG 3.600 . 3.600 2.748 2.177 3.112 . 0 0 "[ . 1 . 2]" 1 463 4 35 ARG QG 4 39 GLU H 5.500 . 5.500 5.314 4.442 5.565 0.065 13 0 "[ . 1 . 2]" 1 464 4 36 GLU H 4 36 GLU QB 3.600 . 3.600 2.620 2.537 2.821 . 0 0 "[ . 1 . 2]" 1 465 4 36 GLU H 4 36 GLU QG 3.600 . 3.600 1.895 1.799 2.058 0.001 6 0 "[ . 1 . 2]" 1 466 4 36 GLU H 4 37 LYS H 3.600 . 3.600 2.548 2.486 2.677 . 0 0 "[ . 1 . 2]" 1 467 4 36 GLU H 4 38 VAL H 4.000 . 4.000 4.170 4.125 4.250 0.250 13 0 "[ . 1 . 2]" 1 468 4 36 GLU HA 4 36 GLU QG 3.600 . 3.600 2.732 2.498 3.312 . 0 0 "[ . 1 . 2]" 1 469 4 36 GLU HA 4 37 LYS H 3.600 . 3.600 3.500 3.471 3.568 . 0 0 "[ . 1 . 2]" 1 470 4 36 GLU HA 4 38 VAL H 4.600 . 4.600 4.633 4.466 4.696 0.096 2 0 "[ . 1 . 2]" 1 471 4 36 GLU QB 4 37 LYS H 3.600 . 3.600 2.770 2.499 3.513 . 0 0 "[ . 1 . 2]" 1 472 4 37 LYS H 4 37 LYS QB 3.600 . 3.600 2.246 2.074 2.843 . 0 0 "[ . 1 . 2]" 1 473 4 37 LYS H 4 37 LYS QD 3.600 . 3.600 3.338 2.942 3.875 0.275 3 0 "[ . 1 . 2]" 1 474 4 37 LYS H 4 38 VAL H 3.600 . 3.600 2.543 2.439 2.652 . 0 0 "[ . 1 . 2]" 1 475 4 37 LYS H 4 38 VAL MG1 3.600 . 3.600 3.712 3.646 3.769 0.169 3 0 "[ . 1 . 2]" 1 476 4 37 LYS H 4 39 GLU H 4.500 . 4.500 4.043 3.891 4.278 . 0 0 "[ . 1 . 2]" 1 477 4 37 LYS H 4 40 ALA H 4.300 . 4.300 4.423 4.383 4.481 0.181 5 0 "[ . 1 . 2]" 1 478 4 37 LYS HA 4 37 LYS QG 3.600 . 3.600 2.346 2.068 3.367 . 0 0 "[ . 1 . 2]" 1 479 4 37 LYS HA 4 38 VAL H 3.600 . 3.600 3.553 3.539 3.560 . 0 0 "[ . 1 . 2]" 1 480 4 37 LYS HA 4 40 ALA H 3.600 . 3.600 3.463 3.099 3.613 0.013 19 0 "[ . 1 . 2]" 1 481 4 37 LYS QB 4 38 VAL H 3.600 . 3.600 2.703 2.544 3.570 . 0 0 "[ . 1 . 2]" 1 482 4 38 VAL H 4 38 VAL MG2 3.600 . 3.600 2.397 2.328 2.476 . 0 0 "[ . 1 . 2]" 1 483 4 38 VAL H 4 39 GLU H 3.600 . 3.600 2.621 2.528 2.692 . 0 0 "[ . 1 . 2]" 1 484 4 38 VAL H 4 41 ALA H 4.500 . 4.500 4.593 4.555 4.637 0.137 13 0 "[ . 1 . 2]" 1 485 4 38 VAL H 4 41 ALA MB 4.600 . 4.600 4.575 4.498 4.628 0.028 11 0 "[ . 1 . 2]" 1 486 4 38 VAL HA 4 38 VAL MG1 3.600 . 3.600 2.504 2.476 2.540 . 0 0 "[ . 1 . 2]" 1 487 4 38 VAL HA 4 38 VAL MG2 3.600 . 3.600 3.176 3.165 3.187 . 0 0 "[ . 1 . 2]" 1 488 4 38 VAL HA 4 39 GLU H 3.600 . 3.600 3.552 3.524 3.578 . 0 0 "[ . 1 . 2]" 1 489 4 38 VAL HA 4 41 ALA H 3.600 . 3.600 3.408 3.323 3.452 . 0 0 "[ . 1 . 2]" 1 490 4 38 VAL HA 4 41 ALA MB 4.200 . 4.200 2.441 2.364 2.521 . 0 0 "[ . 1 . 2]" 1 491 4 38 VAL HB 4 39 GLU H 3.600 . 3.600 3.790 3.737 3.835 0.235 17 0 "[ . 1 . 2]" 1 492 4 38 VAL MG1 4 39 GLU H 3.600 . 3.600 3.580 3.523 3.631 0.031 16 0 "[ . 1 . 2]" 1 493 4 38 VAL MG2 4 39 GLU H 3.600 . 3.600 1.932 1.875 1.993 . 0 0 "[ . 1 . 2]" 1 494 4 38 VAL MG2 4 39 GLU HA 3.600 . 3.600 2.954 2.920 2.987 . 0 0 "[ . 1 . 2]" 1 495 4 38 VAL MG2 4 39 GLU QG 3.600 . 3.600 2.881 2.536 3.248 . 0 0 "[ . 1 . 2]" 1 496 4 38 VAL MG2 4 42 MET ME 3.600 . 3.600 2.208 2.045 2.370 . 0 0 "[ . 1 . 2]" 1 497 4 38 VAL MG2 4 42 MET QG 3.600 . 3.600 3.817 3.742 3.870 0.270 8 0 "[ . 1 . 2]" 1 498 4 39 GLU H 4 39 GLU QG 3.600 . 3.600 3.039 2.728 3.418 . 0 0 "[ . 1 . 2]" 1 499 4 39 GLU H 4 40 ALA H 3.600 . 3.600 2.698 2.647 2.779 . 0 0 "[ . 1 . 2]" 1 500 4 39 GLU H 4 41 ALA H 4.500 . 4.500 4.297 4.249 4.352 . 0 0 "[ . 1 . 2]" 1 501 4 39 GLU H 4 42 MET ME 3.600 . 3.600 3.674 3.654 3.690 0.090 12 0 "[ . 1 . 2]" 1 502 4 39 GLU HA 4 39 GLU QG 3.600 . 3.600 2.155 2.019 2.286 . 0 0 "[ . 1 . 2]" 1 503 4 39 GLU HA 4 40 ALA H 3.600 . 3.600 3.546 3.537 3.560 . 0 0 "[ . 1 . 2]" 1 504 4 39 GLU HA 4 42 MET QG 5.500 . 5.500 1.992 1.836 2.158 . 0 0 "[ . 1 . 2]" 1 505 4 39 GLU QG 4 40 ALA H 5.500 . 5.500 4.416 4.332 4.576 . 0 0 "[ . 1 . 2]" 1 506 4 39 GLU QG 4 43 ALA H 5.500 . 5.500 5.498 5.151 5.600 0.100 8 0 "[ . 1 . 2]" 1 507 4 40 ALA H 4 40 ALA MB 3.600 . 3.600 2.147 2.126 2.166 . 0 0 "[ . 1 . 2]" 1 508 4 40 ALA H 4 41 ALA H 3.600 . 3.600 2.725 2.698 2.764 . 0 0 "[ . 1 . 2]" 1 509 4 40 ALA MB 4 41 ALA H 3.600 . 3.600 2.394 2.355 2.428 . 0 0 "[ . 1 . 2]" 1 510 4 41 ALA H 4 41 ALA MB 3.600 . 3.600 2.180 2.172 2.191 . 0 0 "[ . 1 . 2]" 1 511 4 41 ALA HA 4 44 GLU H 3.600 . 3.600 3.634 3.612 3.658 0.058 17 0 "[ . 1 . 2]" 1 512 4 41 ALA HA 4 44 GLU QB 3.600 . 3.600 3.221 3.155 3.289 . 0 0 "[ . 1 . 2]" 1 513 4 41 ALA HA 4 44 GLU QG 3.600 . 3.600 2.960 2.623 3.178 . 0 0 "[ . 1 . 2]" 1 514 4 41 ALA MB 4 42 MET H 3.600 . 3.600 2.329 2.295 2.354 . 0 0 "[ . 1 . 2]" 1 515 4 41 ALA MB 4 43 ALA H 4.000 . 4.000 4.211 4.200 4.227 0.227 12 0 "[ . 1 . 2]" 1 516 4 41 ALA MB 4 44 GLU H 4.600 . 4.600 4.686 4.673 4.710 0.110 7 0 "[ . 1 . 2]" 1 517 4 41 ALA MB 4 45 LEU QD 3.600 . 3.600 3.132 3.076 3.187 . 0 0 "[ . 1 . 2]" 1 518 4 42 MET H 4 42 MET QB 3.600 . 3.600 2.630 2.603 2.657 . 0 0 "[ . 1 . 2]" 1 519 4 42 MET H 4 42 MET QG 3.600 . 3.600 1.977 1.942 2.008 . 0 0 "[ . 1 . 2]" 1 520 4 42 MET H 4 43 ALA H 3.600 . 3.600 2.595 2.577 2.609 . 0 0 "[ . 1 . 2]" 1 521 4 42 MET H 4 47 TYR QD 5.000 . 5.000 5.029 4.995 5.073 0.073 14 0 "[ . 1 . 2]" 1 522 4 42 MET HA 4 42 MET ME 3.600 . 3.600 3.808 3.790 3.829 0.229 18 0 "[ . 1 . 2]" 1 523 4 42 MET HA 4 42 MET QG 3.600 . 3.600 3.330 3.323 3.335 . 0 0 "[ . 1 . 2]" 1 524 4 42 MET HA 4 43 ALA H 3.600 . 3.600 3.480 3.471 3.488 . 0 0 "[ . 1 . 2]" 1 525 4 42 MET HA 4 45 LEU H 4.500 . 4.500 3.670 3.625 3.736 . 0 0 "[ . 1 . 2]" 1 526 4 42 MET HA 4 45 LEU QD 3.600 . 3.600 3.660 3.595 3.702 0.102 19 0 "[ . 1 . 2]" 1 527 4 42 MET HA 4 47 TYR HB2 3.600 . 3.600 2.451 2.231 2.663 . 0 0 "[ . 1 . 2]" 1 528 4 42 MET HA 4 47 TYR HB3 3.600 . 3.600 3.236 2.614 3.681 0.081 6 0 "[ . 1 . 2]" 1 529 4 42 MET HA 4 47 TYR QD 3.600 . 3.600 3.649 3.563 3.729 0.129 3 0 "[ . 1 . 2]" 1 530 4 42 MET QB 4 43 ALA H 3.600 . 3.600 3.590 3.571 3.612 0.012 13 0 "[ . 1 . 2]" 1 531 4 42 MET QB 4 47 TYR QD 3.600 . 3.600 1.845 1.783 1.917 0.017 5 0 "[ . 1 . 2]" 1 532 4 42 MET QB 4 47 TYR QE 3.600 . 3.600 3.665 3.594 3.755 0.155 3 0 "[ . 1 . 2]" 1 533 4 42 MET ME 4 47 TYR QD 3.600 . 3.600 2.959 2.766 3.130 . 0 0 "[ . 1 . 2]" 1 534 4 42 MET ME 4 47 TYR QE 3.600 . 3.600 3.225 3.056 3.366 . 0 0 "[ . 1 . 2]" 1 535 4 42 MET QG 4 46 ASN H 5.500 . 5.500 5.632 5.601 5.703 0.203 3 0 "[ . 1 . 2]" 1 536 4 42 MET QG 4 47 TYR QD 3.600 . 3.600 3.664 3.622 3.717 0.117 10 0 "[ . 1 . 2]" 1 537 4 43 ALA H 4 43 ALA MB 3.600 . 3.600 2.273 2.264 2.284 . 0 0 "[ . 1 . 2]" 1 538 4 43 ALA H 4 44 GLU H 3.600 . 3.600 2.497 2.461 2.519 . 0 0 "[ . 1 . 2]" 1 539 4 43 ALA H 4 44 GLU QB 4.500 . 4.500 4.649 4.594 4.722 0.222 19 0 "[ . 1 . 2]" 1 540 4 43 ALA H 4 44 GLU QG 3.600 . 3.600 3.759 3.702 3.809 0.209 20 0 "[ . 1 . 2]" 1 541 4 43 ALA MB 4 44 GLU H 3.600 . 3.600 2.495 2.449 2.529 . 0 0 "[ . 1 . 2]" 1 542 4 43 ALA MB 4 44 GLU QG 3.600 . 3.600 2.901 2.804 2.977 . 0 0 "[ . 1 . 2]" 1 543 4 44 GLU H 4 44 GLU QB 3.600 . 3.600 2.574 2.508 2.671 . 0 0 "[ . 1 . 2]" 1 544 4 44 GLU H 4 45 LEU H 3.600 . 3.600 2.590 2.555 2.627 . 0 0 "[ . 1 . 2]" 1 545 4 44 GLU HA 4 44 GLU QG 3.600 . 3.600 2.831 2.604 2.980 . 0 0 "[ . 1 . 2]" 1 546 4 44 GLU HA 4 45 LEU H 3.600 . 3.600 3.526 3.517 3.537 . 0 0 "[ . 1 . 2]" 1 547 4 44 GLU HA 4 46 ASN H 3.600 . 3.600 3.671 3.625 3.706 0.106 12 0 "[ . 1 . 2]" 1 548 4 44 GLU QB 4 45 LEU H 3.600 . 3.600 2.374 2.332 2.451 . 0 0 "[ . 1 . 2]" 1 549 4 44 GLU QG 4 45 LEU H 5.500 . 5.500 3.645 3.535 3.701 . 0 0 "[ . 1 . 2]" 1 550 4 44 GLU QG 4 45 LEU QD 3.600 . 3.600 3.809 3.788 3.836 0.236 8 0 "[ . 1 . 2]" 1 551 4 45 LEU H 4 45 LEU QB 3.600 . 3.600 2.642 2.599 2.684 . 0 0 "[ . 1 . 2]" 1 552 4 45 LEU H 4 45 LEU QD 3.600 . 3.600 2.528 2.498 2.549 . 0 0 "[ . 1 . 2]" 1 553 4 45 LEU H 4 45 LEU HG 3.600 . 3.600 2.193 2.112 2.305 . 0 0 "[ . 1 . 2]" 1 554 4 45 LEU H 4 46 ASN H 3.600 . 3.600 2.542 2.492 2.583 . 0 0 "[ . 1 . 2]" 1 555 4 45 LEU HA 4 45 LEU QD 3.600 . 3.600 2.220 2.137 2.283 . 0 0 "[ . 1 . 2]" 1 556 4 45 LEU HA 4 45 LEU HG 3.600 . 3.600 3.511 3.483 3.533 . 0 0 "[ . 1 . 2]" 1 557 4 45 LEU HA 4 46 ASN H 3.600 . 3.600 3.248 3.224 3.293 . 0 0 "[ . 1 . 2]" 1 558 4 45 LEU QB 4 46 ASN H 3.600 . 3.600 3.394 3.352 3.443 . 0 0 "[ . 1 . 2]" 1 559 4 45 LEU QD 4 46 ASN H 4.000 . 4.000 4.103 4.085 4.114 0.114 3 0 "[ . 1 . 2]" 1 560 4 46 ASN H 4 46 ASN HB3 3.600 . 3.600 3.630 3.305 3.758 0.158 9 0 "[ . 1 . 2]" 1 561 4 46 ASN H 4 47 TYR H 3.600 . 3.600 3.326 2.660 3.542 . 0 0 "[ . 1 . 2]" 1 562 4 46 ASN HA 4 47 TYR H 3.600 . 3.600 3.390 2.356 3.559 . 0 0 "[ . 1 . 2]" 1 563 4 46 ASN QD 4 48 ILE MG 3.600 . 3.600 3.477 2.226 3.790 0.190 6 0 "[ . 1 . 2]" 1 564 4 47 TYR H 4 47 TYR HB2 3.600 . 3.600 2.939 2.412 3.194 . 0 0 "[ . 1 . 2]" 1 565 4 47 TYR H 4 47 TYR HB3 3.600 . 3.600 3.354 2.348 3.599 . 0 0 "[ . 1 . 2]" 1 566 4 47 TYR H 4 47 TYR QD 4.600 . 4.600 4.123 4.016 4.186 . 0 0 "[ . 1 . 2]" 1 567 4 47 TYR H 4 48 ILE H 3.600 . 3.600 3.589 3.071 4.445 0.845 12 2 "[ . -1 + . 2]" 1 568 4 47 TYR HA 4 47 TYR QD 3.600 . 3.600 2.016 1.875 2.226 . 0 0 "[ . 1 . 2]" 1 569 4 47 TYR HA 4 47 TYR QE 4.300 . 4.300 4.348 4.237 4.481 0.181 9 0 "[ . 1 . 2]" 1 570 4 47 TYR HB2 4 47 TYR QE 4.600 . 4.600 4.495 4.472 4.520 . 0 0 "[ . 1 . 2]" 1 571 4 47 TYR HB2 4 48 ILE H 4.500 . 4.500 4.439 3.669 4.595 0.095 18 0 "[ . 1 . 2]" 1 572 4 47 TYR HB3 4 47 TYR QE 4.600 2.800 4.600 4.411 4.359 4.462 . 0 0 "[ . 1 . 2]" 1 573 4 47 TYR HB3 4 48 ILE H 4.500 . 4.500 4.324 2.189 4.511 0.011 11 0 "[ . 1 . 2]" 1 574 4 47 TYR QD 4 48 ILE H 3.600 . 3.600 2.994 2.595 3.627 0.027 10 0 "[ . 1 . 2]" 1 575 4 47 TYR QE 4 49 PRO HA 5.500 . 5.500 4.565 3.319 5.353 . 0 0 "[ . 1 . 2]" 1 576 4 48 ILE H 4 48 ILE MD 3.600 . 3.600 3.262 1.789 3.877 0.277 5 0 "[ . 1 . 2]" 1 577 4 48 ILE H 4 48 ILE QG 4.600 . 4.600 3.556 1.973 4.250 . 0 0 "[ . 1 . 2]" 1 578 4 48 ILE H 4 48 ILE MG 3.600 . 3.600 2.372 1.790 4.013 0.413 6 0 "[ . 1 . 2]" 1 579 4 48 ILE HA 4 48 ILE MD 3.600 . 3.600 2.660 1.785 3.709 0.109 4 0 "[ . 1 . 2]" 1 580 4 48 ILE HA 4 48 ILE QG 3.600 . 3.600 2.914 2.350 3.436 . 0 0 "[ . 1 . 2]" 1 581 4 48 ILE HA 4 48 ILE MG 3.600 . 3.600 2.858 2.342 3.233 . 0 0 "[ . 1 . 2]" 1 582 4 48 ILE HA 4 49 PRO QD 3.600 . 3.600 1.944 1.743 2.241 0.057 16 0 "[ . 1 . 2]" 1 583 4 48 ILE HB 4 48 ILE MD 3.600 . 3.600 2.645 2.220 3.236 . 0 0 "[ . 1 . 2]" 1 584 4 48 ILE QG 4 49 PRO QD 3.600 . 3.600 2.899 1.791 3.835 0.235 15 0 "[ . 1 . 2]" 1 585 4 49 PRO HA 4 50 ASN H 3.600 . 3.600 2.653 2.121 3.591 . 0 0 "[ . 1 . 2]" 1 586 4 49 PRO HA 4 50 ASN QB 4.600 . 4.600 4.362 4.010 4.708 0.108 18 0 "[ . 1 . 2]" 1 587 4 50 ASN H 4 50 ASN QB 3.600 . 3.600 2.645 2.138 3.001 . 0 0 "[ . 1 . 2]" 1 588 4 50 ASN H 4 51 ARG H 3.600 . 3.600 3.478 2.739 3.880 0.280 9 0 "[ . 1 . 2]" 1 589 4 50 ASN HA 4 51 ARG H 3.600 . 3.600 2.642 2.095 3.583 . 0 0 "[ . 1 . 2]" 1 590 4 51 ARG H 4 51 ARG QD 5.500 . 5.500 4.669 3.342 5.428 . 0 0 "[ . 1 . 2]" 1 591 4 51 ARG H 4 52 CYS H 3.600 . 3.600 2.681 1.825 3.724 0.124 11 0 "[ . 1 . 2]" 1 592 4 51 ARG H 4 52 CYS QB 5.000 . 5.000 4.535 3.601 5.110 0.110 17 0 "[ . 1 . 2]" 1 593 4 51 ARG HA 4 52 CYS H 3.600 . 3.600 2.994 2.156 3.554 . 0 0 "[ . 1 . 2]" 1 594 4 51 ARG QB 4 52 CYS H 5.500 . 5.500 3.267 1.741 4.032 0.059 17 0 "[ . 1 . 2]" 1 595 4 51 ARG QG 4 52 CYS H 5.500 . 5.500 4.082 2.090 4.808 . 0 0 "[ . 1 . 2]" 1 596 4 52 CYS H 4 53 ALA H 3.600 . 3.600 3.265 1.766 3.918 0.318 15 0 "[ . 1 . 2]" 1 597 4 52 CYS HA 4 53 ALA H 3.600 . 3.600 2.937 1.987 3.565 . 0 0 "[ . 1 . 2]" 1 598 4 52 CYS HA 4 53 ALA MB 3.600 . 3.600 3.827 3.716 3.938 0.338 2 0 "[ . 1 . 2]" 1 599 4 52 CYS HB3 4 53 ALA H 3.600 . 3.600 3.238 1.761 3.769 0.169 17 0 "[ . 1 . 2]" 1 600 4 53 ALA HA 4 54 GLN QB 4.600 . 4.600 4.401 3.893 4.752 0.152 3 0 "[ . 1 . 2]" 1 601 4 53 ALA MB 4 55 GLN H 5.500 . 5.500 4.472 2.228 5.542 0.042 12 0 "[ . 1 . 2]" 1 602 4 54 GLN H 4 54 GLN QB 3.600 . 3.600 2.719 2.065 3.366 . 0 0 "[ . 1 . 2]" 1 603 4 54 GLN H 4 56 LEU H 3.600 . 3.600 3.424 2.975 3.671 0.071 12 0 "[ . 1 . 2]" 1 604 4 54 GLN QB 4 55 GLN HA 5.500 . 5.500 4.204 3.720 4.763 . 0 0 "[ . 1 . 2]" 1 605 4 54 GLN QB 4 55 GLN QG 3.600 . 3.600 3.105 2.231 3.766 0.166 5 0 "[ . 1 . 2]" 1 606 4 55 GLN H 4 55 GLN QB 3.600 . 3.600 2.889 2.480 3.363 . 0 0 "[ . 1 . 2]" 1 607 4 55 GLN QG 4 56 LEU HA 5.500 . 5.500 4.626 3.428 5.688 0.188 3 0 "[ . 1 . 2]" 1 608 4 56 LEU H 4 56 LEU MD1 5.000 . 5.000 3.713 2.450 4.406 . 0 0 "[ . 1 . 2]" 1 609 4 56 LEU H 4 56 LEU MD2 5.000 . 5.000 3.876 2.066 4.906 . 0 0 "[ . 1 . 2]" 1 610 4 56 LEU HA 4 57 ALA H 3.600 . 3.600 2.830 2.123 3.528 . 0 0 "[ . 1 . 2]" 1 611 4 57 ALA HA 4 58 GLY H 3.600 . 3.600 2.840 2.139 3.562 . 0 0 "[ . 1 . 2]" 1 612 4 57 ALA MB 4 58 GLY H 5.000 . 5.000 2.964 1.907 3.712 . 0 0 "[ . 1 . 2]" 1 stop_ save_
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