NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
386400 | 1lpw | 5394 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1lpw 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 40 _Distance_constraint_stats_list.Viol_count 99 _Distance_constraint_stats_list.Viol_total 14.977 _Distance_constraint_stats_list.Viol_max 0.090 _Distance_constraint_stats_list.Viol_rms 0.0114 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0046 _Distance_constraint_stats_list.Viol_average_violations_only 0.0168 _Distance_constraint_stats_list.Cutoff_violation_report 0.500 _Distance_constraint_stats_list.Details ; Description of the tags in this list: * 1 * Administrative tag * 2 * Administrative tag * 3 * Administrative tag * 4 * ID of the restraint list. * 5 * Number of restraints in list. * 6 * Number of violated restraints (each model violation is used). * 7 * Sum of violations in Angstrom. * 8 * Maximum violation of a restraint without averaging in any way. * 9 * Rms of violations over all restraints. * 10 * Average violation over all restraints. * 11 * Average violation over violated restraints. This violation is averaged over only those models in which the restraint is violated. These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998). * 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table. * 13 * This tag Description of the tags in the per residue table below: * 1 * Chain identifier (can be absent if none defined) * 2 * Residue number * 3 * Residue name * 4 * Maximum violation in ensemble of models (without any averaging) * 5 * Model number with the maximum violation * 6 * Number of models with a violation above cutoff * 7 * List of models (1 character per model) with a violation above cutoff. An '*' marks a violation above the cutoff. A '+' indicates the largest violation above the cutoff and a '-' marks the smallest violation over cutoff. For models 5, 15, 25,... a ' ' is replaced by a '.'. For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1. * 8 * Administrative tag * 9 * Administrative tag Description of the tags in the per restraint table below: * 1 * Restraint ID within restraint list. First node, FIRST member, first atom's: * 2 * Chain identifier (can be absent if none defined) * 3 * Residue number * 4 * Residue name * 5 * Name of (pseudo-)atom First node, SECOND member, first atom's: * 6 * Chain identifier (can be absent if none defined) * 7 * Residue number * 8 * Residue name * 9 * Name of (pseudo-)atom FIRST node's: * 10 * Target distance value (Angstrom) * 11 * Lower bound distance (Angstrom) * 12 * Upper bound distance (Angstrom) * 13 * Average distance in ensemble of models * 14 * Minimum distance in ensemble of models * 15 * Maximum distance in ensemble of models * 16 * Maximum violation (without any averaging) * 17 * Model number with the maximum violation * 18 * Number of models with a violation above cutoff * 19 * List of models with a violation above cutoff. See description above. * 20 * Administrative tag * 21 * Administrative tag ; loop_ _Distance_constraint_stats_per_res.Atom_entity_assembly_ID _Distance_constraint_stats_per_res.Atom_comp_index_ID _Distance_constraint_stats_per_res.Atom_comp_ID _Distance_constraint_stats_per_res.Total_violation _Distance_constraint_stats_per_res.Max_violation _Distance_constraint_stats_per_res.Max_violation_model_number _Distance_constraint_stats_per_res.Over_cutoff_viol_count _Distance_constraint_stats_per_res.Over_cutoff_viol_per_model 1 1 G 0.084 0.015 5 0 "[ . ]" 1 2 G 0.007 0.004 7 0 "[ . ]" 1 3 U 0.401 0.064 8 0 "[ . ]" 1 4 G 0.130 0.035 6 0 "[ . ]" 1 6 A 0.480 0.090 7 0 "[ . ]" 1 7 G 0.062 0.014 1 0 "[ . ]" 1 8 U 0.309 0.056 4 0 "[ . ]" 1 9 A 0.191 0.032 9 0 "[ . ]" 2 1 U 0.191 0.032 9 0 "[ . ]" 2 2 A 0.309 0.056 4 0 "[ . ]" 2 3 C 0.062 0.014 1 0 "[ . ]" 2 4 U 0.480 0.090 7 0 "[ . ]" 2 7 C 0.130 0.035 6 0 "[ . ]" 2 8 A 0.401 0.064 8 0 "[ . ]" 2 9 C 0.007 0.004 7 0 "[ . ]" 2 10 C 0.084 0.015 5 0 "[ . ]" stop_ loop_ _Distance_constraint_stats.Restraint_ID _Distance_constraint_stats.Atom_1_entity_assembly_ID _Distance_constraint_stats.Atom_1_comp_index_ID _Distance_constraint_stats.Atom_1_comp_ID _Distance_constraint_stats.Atom_1_ID _Distance_constraint_stats.Atom_2_entity_assembly_ID _Distance_constraint_stats.Atom_2_comp_index_ID _Distance_constraint_stats.Atom_2_comp_ID _Distance_constraint_stats.Atom_2_ID _Distance_constraint_stats.Node_1_distance_val _Distance_constraint_stats.Node_1_distance_lower_bound_val _Distance_constraint_stats.Node_1_distance_upper_bound_val _Distance_constraint_stats.Distance_average _Distance_constraint_stats.Distance_minimum _Distance_constraint_stats.Distance_maximum _Distance_constraint_stats.Max_violation _Distance_constraint_stats.Max_violation_model_number _Distance_constraint_stats.Over_cutoff_violation_count _Distance_constraint_stats.Over_cutoff_viol_per_model _Distance_constraint_stats.Distance_constraint_stats_ID 1 1 1 G H1 2 10 C N3 1.990 . 2.140 1.987 1.963 2.009 . 0 0 "[ . ]" 1 2 1 1 G O6 2 10 C H41 1.950 . 2.100 1.963 1.897 2.013 . 0 0 "[ . ]" 1 3 1 1 G H21 2 10 C O2 1.950 . 2.100 1.845 1.836 1.850 0.014 5 0 "[ . ]" 1 4 1 1 G N1 2 10 C N3 2.900 2.800 3.050 2.979 2.960 3.001 . 0 0 "[ . ]" 1 5 1 1 G O6 2 10 C N4 2.950 2.850 3.100 2.946 2.888 2.997 . 0 0 "[ . ]" 1 6 1 1 G N2 2 10 C O2 2.950 2.850 3.100 2.846 2.835 2.856 0.015 5 0 "[ . ]" 1 7 1 2 G H1 2 9 C N3 1.990 . 2.140 1.909 1.886 1.945 0.004 7 0 "[ . ]" 1 8 1 2 G O6 2 9 C H41 1.950 . 2.100 1.970 1.908 2.055 . 0 0 "[ . ]" 1 9 1 2 G H21 2 9 C O2 1.950 . 2.100 1.938 1.913 2.002 . 0 0 "[ . ]" 1 10 1 2 G N1 2 9 C N3 2.900 2.800 3.050 2.911 2.887 2.947 . 0 0 "[ . ]" 1 11 1 2 G O6 2 9 C N4 2.950 2.850 3.100 2.954 2.892 3.039 . 0 0 "[ . ]" 1 12 1 2 G N2 2 9 C O2 2.950 2.850 3.100 2.915 2.890 2.981 . 0 0 "[ . ]" 1 13 1 3 U H3 2 8 A N1 1.990 . 2.140 2.121 2.097 2.146 0.006 5 0 "[ . ]" 1 14 1 3 U O4 2 8 A H61 1.950 . 2.100 1.900 1.855 1.955 . 0 0 "[ . ]" 1 15 1 3 U N3 2 8 A N1 2.900 2.800 3.050 3.092 3.073 3.114 0.064 8 0 "[ . ]" 1 16 1 3 U O4 2 8 A N6 2.950 2.850 3.100 2.881 2.836 2.934 0.014 5 0 "[ . ]" 1 17 1 7 G H1 2 3 C N3 1.990 . 2.140 1.969 1.948 2.012 . 0 0 "[ . ]" 1 18 1 7 G O6 2 3 C H41 1.950 . 2.100 1.869 1.846 1.923 0.004 1 0 "[ . ]" 1 19 1 7 G H21 2 3 C O2 1.950 . 2.100 1.963 1.919 2.069 . 0 0 "[ . ]" 1 20 1 7 G N1 2 3 C N3 2.900 2.800 3.050 2.968 2.942 3.004 . 0 0 "[ . ]" 1 21 1 7 G O6 2 3 C N4 2.950 2.850 3.100 2.860 2.836 2.916 0.014 1 0 "[ . ]" 1 22 1 7 G N2 2 3 C O2 2.950 2.850 3.100 2.940 2.897 3.036 . 0 0 "[ . ]" 1 23 1 8 U H3 2 2 A N1 1.990 . 2.140 1.931 1.881 1.975 0.009 4 0 "[ . ]" 1 24 1 8 U O4 2 2 A H61 1.950 . 2.100 2.132 2.120 2.156 0.056 4 0 "[ . ]" 1 25 1 8 U N3 2 2 A N1 2.900 2.800 3.050 2.923 2.882 2.951 . 0 0 "[ . ]" 1 26 1 8 U O4 2 2 A N6 2.950 2.850 3.100 3.085 3.065 3.101 0.001 3 0 "[ . ]" 1 27 1 9 A N1 2 1 U H3 1.990 . 2.140 1.879 1.858 1.895 0.032 9 0 "[ . ]" 1 28 1 9 A H61 2 1 U O4 1.950 . 2.100 2.088 2.016 2.121 0.021 9 0 "[ . ]" 1 29 1 9 A N1 2 1 U N3 2.900 2.800 3.050 2.882 2.860 2.899 . 0 0 "[ . ]" 1 30 1 9 A N6 2 1 U O4 2.950 2.850 3.100 3.074 3.007 3.111 0.011 9 0 "[ . ]" 1 31 1 6 A N1 2 4 U H3 1.990 . 2.140 2.087 2.019 2.161 0.021 7 0 "[ . ]" 1 32 1 6 A H61 2 4 U O4 1.950 . 2.100 1.845 1.811 1.901 0.039 7 0 "[ . ]" 1 33 1 6 A N1 2 4 U N3 2.900 2.800 3.050 3.061 3.001 3.140 0.090 7 0 "[ . ]" 1 34 1 6 A N6 2 4 U O4 2.950 2.850 3.100 2.845 2.811 2.907 0.039 7 0 "[ . ]" 1 35 1 4 G H1 2 7 C N3 1.990 . 2.140 1.979 1.916 2.021 . 0 0 "[ . ]" 1 36 1 4 G O6 2 7 C H41 1.950 . 2.100 1.986 1.855 2.114 0.014 1 0 "[ . ]" 1 37 1 4 G H21 2 7 C O2 1.950 . 2.100 2.022 1.877 2.135 0.035 6 0 "[ . ]" 1 38 1 4 G N1 2 7 C N3 2.900 2.800 3.050 2.979 2.919 3.023 . 0 0 "[ . ]" 1 39 1 4 G O6 2 7 C N4 2.950 2.850 3.100 2.969 2.835 3.110 0.015 7 0 "[ . ]" 1 40 1 4 G N2 2 7 C O2 2.950 2.850 3.100 2.999 2.858 3.115 0.015 1 0 "[ . ]" 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 74 _Distance_constraint_stats_list.Viol_count 89 _Distance_constraint_stats_list.Viol_total 45.675 _Distance_constraint_stats_list.Viol_max 0.130 _Distance_constraint_stats_list.Viol_rms 0.0238 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0076 _Distance_constraint_stats_list.Viol_average_violations_only 0.0570 _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 2 G 1.017 0.109 6 0 "[ . ]" 1 3 U 0.000 0.000 . 0 "[ . ]" 1 4 G 1.046 0.130 1 0 "[ . ]" 1 5 PSU 0.045 0.045 3 0 "[ . ]" 1 6 A 0.000 0.000 . 0 "[ . ]" 1 7 G 1.003 0.113 4 0 "[ . ]" 1 8 U 0.000 0.000 . 0 "[ . ]" 1 9 A 0.188 0.035 7 0 "[ . ]" 2 1 U 0.044 0.019 2 0 "[ . ]" 2 2 A 0.000 0.000 . 0 "[ . ]" 2 3 C 0.000 0.000 . 0 "[ . ]" 2 4 U 1.011 0.061 3 0 "[ . ]" 2 5 A 0.116 0.075 4 0 "[ . ]" 2 6 A 0.297 0.041 6 0 "[ . ]" 2 7 C 0.000 0.000 . 0 "[ . ]" 2 8 A 0.000 0.000 . 0 "[ . ]" 2 9 C 0.000 0.000 . 0 "[ . ]" 2 10 C 0.309 0.036 4 0 "[ . ]" 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 9 A H1' 1 9 A H2' 2.500 . 3.000 2.821 2.648 3.035 0.035 7 0 "[ . ]" 2 2 2 10 C H1' 2 10 C H2' 2.500 . 3.000 3.034 3.032 3.036 0.036 4 0 "[ . ]" 2 3 2 4 U H1' 2 4 U H2' 2.500 . 3.000 3.035 3.032 3.039 0.039 4 0 "[ . ]" 2 4 1 6 A H1' 1 6 A H2' 2.500 . 3.000 2.642 2.631 2.662 . 0 0 "[ . ]" 2 5 2 1 U H1' 2 1 U H2' 2.500 . 3.000 2.689 2.660 2.724 . 0 0 "[ . ]" 2 6 2 8 A H1' 2 8 A H2' 2.500 . 3.000 2.715 2.697 2.726 . 0 0 "[ . ]" 2 7 2 6 A H1' 2 6 A H2' 2.500 . 3.000 3.033 3.015 3.041 0.041 6 0 "[ . ]" 2 8 2 2 A H1' 2 2 A H2' 2.500 . 3.000 2.649 2.627 2.669 . 0 0 "[ . ]" 2 9 1 8 U H1' 1 8 U H2' 2.500 . 3.000 2.650 2.631 2.661 . 0 0 "[ . ]" 2 10 1 7 G H1' 1 7 G H2' 2.500 . 3.000 2.627 2.615 2.644 . 0 0 "[ . ]" 2 11 2 3 C H1' 2 3 C H2' 2.500 . 3.000 2.657 2.636 2.686 . 0 0 "[ . ]" 2 12 1 4 G H1' 1 4 G H2' 2.500 . 3.000 2.651 2.624 2.674 . 0 0 "[ . ]" 2 13 1 3 U H1' 1 3 U H2' 2.500 . 3.000 2.654 2.641 2.662 . 0 0 "[ . ]" 2 14 1 2 G H1' 1 2 G H2' 2.500 . 3.000 2.632 2.605 2.648 . 0 0 "[ . ]" 2 15 2 10 C H1' 2 10 C H6 3.500 . 4.200 3.741 3.736 3.745 . 0 0 "[ . ]" 2 16 2 4 U H1' 2 4 U H6 3.500 . 4.200 3.700 3.682 3.713 . 0 0 "[ . ]" 2 17 2 8 A H1' 2 8 A H8 4.500 2.500 5.400 3.703 3.673 3.729 . 0 0 "[ . ]" 2 18 1 9 A H1' 1 9 A H8 4.500 2.500 5.400 3.828 3.760 3.912 . 0 0 "[ . ]" 2 19 1 4 G H1' 1 4 G H8 4.500 2.500 5.400 3.805 3.780 3.835 . 0 0 "[ . ]" 2 20 2 2 A H1' 2 2 A H8 5.500 3.000 6.600 3.803 3.790 3.819 . 0 0 "[ . ]" 2 21 2 5 A H1' 2 5 A H8 5.500 3.000 6.600 3.695 3.573 3.795 . 0 0 "[ . ]" 2 22 2 6 A H1' 2 6 A H8 5.500 3.000 6.600 3.835 3.797 3.868 . 0 0 "[ . ]" 2 23 1 6 A H1' 1 6 A H8 5.500 3.000 6.600 3.749 3.697 3.834 . 0 0 "[ . ]" 2 24 1 3 U H1' 1 3 U H6 5.500 3.000 6.600 3.621 3.604 3.634 . 0 0 "[ . ]" 2 25 1 7 G H1' 1 7 G H8 5.500 3.000 6.600 3.740 3.711 3.791 . 0 0 "[ . ]" 2 26 1 5 PSU H1' 1 5 PSU H6 3.500 . 4.200 3.478 2.205 3.722 . 0 0 "[ . ]" 2 27 1 8 U H1' 1 8 U H5 5.500 3.000 6.600 5.320 5.303 5.352 . 0 0 "[ . ]" 2 28 2 9 C H1' 2 9 C H5 5.500 3.000 6.600 5.355 5.323 5.369 . 0 0 "[ . ]" 2 29 2 4 U H1' 2 4 U H5 5.500 3.000 6.600 5.441 5.430 5.446 . 0 0 "[ . ]" 2 30 2 7 C H1' 2 7 C H5 5.500 3.000 6.600 5.338 5.282 5.397 . 0 0 "[ . ]" 2 31 2 4 U H2' 2 4 U H6 2.500 . 3.000 2.143 1.976 2.228 . 0 0 "[ . ]" 2 32 2 1 U H2' 2 1 U H6 3.500 . 4.200 3.855 3.736 3.968 . 0 0 "[ . ]" 2 33 1 4 G H2' 1 4 G H8 3.500 . 4.200 4.037 3.903 4.196 . 0 0 "[ . ]" 2 34 2 7 C H2' 2 7 C H6 3.500 . 4.200 3.978 3.665 4.195 . 0 0 "[ . ]" 2 35 2 10 C H2' 2 10 C H6 3.500 . 4.200 2.521 2.404 2.587 . 0 0 "[ . ]" 2 36 2 2 A H2' 2 2 A H8 3.500 . 4.200 4.064 3.992 4.157 . 0 0 "[ . ]" 2 37 2 6 A H2' 2 6 A H8 3.500 . 4.200 2.425 2.106 3.047 . 0 0 "[ . ]" 2 38 1 8 U H2' 1 8 U H6 3.500 . 4.200 4.069 3.939 4.153 . 0 0 "[ . ]" 2 39 1 5 PSU H2' 1 5 PSU H6 3.500 . 4.200 3.926 3.618 4.245 0.045 3 0 "[ . ]" 2 40 2 9 C H2' 2 9 C H6 3.500 . 4.200 3.966 3.843 4.115 . 0 0 "[ . ]" 2 41 1 9 A H2' 1 9 A H8 3.500 . 4.200 3.655 2.774 4.221 0.021 5 0 "[ . ]" 2 42 2 5 A H2' 2 5 A H8 3.500 . 4.200 3.961 3.589 4.275 0.075 4 0 "[ . ]" 2 43 1 2 G H2' 1 2 G H8 3.500 . 4.200 4.164 4.129 4.226 0.026 9 0 "[ . ]" 2 44 2 4 U H2' 2 4 U H5 3.500 . 4.200 4.239 4.234 4.250 0.050 9 0 "[ . ]" 2 45 2 1 U H2' 2 1 U H5 4.500 2.500 5.400 5.303 5.192 5.419 0.019 2 0 "[ . ]" 2 46 2 7 C H3' 2 7 C H6 3.500 . 4.200 2.593 2.259 2.919 . 0 0 "[ . ]" 2 47 1 6 A H3' 1 6 A H8 3.500 . 4.200 2.537 2.213 2.841 . 0 0 "[ . ]" 2 48 2 4 U H3' 2 4 U H6 3.500 . 4.200 4.239 4.228 4.261 0.061 3 0 "[ . ]" 2 49 1 3 U H3' 1 3 U H6 3.500 . 4.200 2.454 2.364 2.593 . 0 0 "[ . ]" 2 50 1 7 G H3' 1 7 G H8 3.500 . 4.200 2.704 2.534 2.799 . 0 0 "[ . ]" 2 51 1 4 G H3' 1 4 G H8 3.500 . 4.200 2.676 2.606 2.810 . 0 0 "[ . ]" 2 52 2 9 C H3' 2 9 C H6 3.500 . 4.200 2.392 2.321 2.597 . 0 0 "[ . ]" 2 53 1 8 U H3' 1 8 U H6 3.500 . 4.200 2.580 2.490 2.640 . 0 0 "[ . ]" 2 54 2 1 U H3' 2 1 U H6 3.500 . 4.200 2.449 2.376 2.543 . 0 0 "[ . ]" 2 55 2 3 C H3' 2 3 C H6 3.500 . 4.200 2.580 2.451 2.709 . 0 0 "[ . ]" 2 56 2 8 A H3' 2 8 A H8 3.500 . 4.200 2.766 2.720 2.814 . 0 0 "[ . ]" 2 57 2 1 U H5 2 1 U H6 2.500 . 3.000 2.397 2.391 2.403 . 0 0 "[ . ]" 2 58 2 3 C H5 2 3 C H6 2.500 . 3.000 2.414 2.407 2.420 . 0 0 "[ . ]" 2 59 2 4 U H5 2 4 U H6 2.500 . 3.000 2.390 2.385 2.396 . 0 0 "[ . ]" 2 60 2 7 C H5 2 7 C H6 2.500 . 3.000 2.407 2.399 2.415 . 0 0 "[ . ]" 2 61 2 9 C H5 2 9 C H6 2.500 . 3.000 2.415 2.410 2.419 . 0 0 "[ . ]" 2 62 2 10 C H5 2 10 C H6 2.500 . 3.000 2.428 2.426 2.430 . 0 0 "[ . ]" 2 63 1 3 U H5 1 3 U H6 2.500 . 3.000 2.377 2.365 2.381 . 0 0 "[ . ]" 2 64 1 8 U H5 1 8 U H6 2.500 . 3.000 2.376 2.365 2.387 . 0 0 "[ . ]" 2 65 1 4 G H1 1 4 G H22 5.500 3.000 6.600 3.579 3.562 3.586 . 0 0 "[ . ]" 2 66 1 4 G H1 1 4 G H21 4.500 2.500 5.400 2.384 2.370 2.389 0.130 1 0 "[ . ]" 2 67 1 2 G H1 1 2 G H22 5.500 3.000 6.600 3.581 3.578 3.583 . 0 0 "[ . ]" 2 68 1 2 G H1 1 2 G H21 4.500 2.500 5.400 2.393 2.391 2.395 0.109 6 0 "[ . ]" 2 69 1 7 G H1 1 7 G H22 5.500 3.000 6.600 3.587 3.584 3.589 . 0 0 "[ . ]" 2 70 1 7 G H1 1 7 G H21 4.500 2.500 5.400 2.389 2.387 2.391 0.113 4 0 "[ . ]" 2 71 2 8 A H2 2 8 A H62 5.500 3.000 6.600 5.264 5.262 5.266 . 0 0 "[ . ]" 2 72 2 3 C H42 2 3 C H5 3.500 . 4.200 2.476 2.468 2.483 . 0 0 "[ . ]" 2 73 2 9 C H42 2 9 C H5 3.500 . 4.200 2.428 2.417 2.435 . 0 0 "[ . ]" 2 74 2 10 C H42 2 10 C H5 3.500 . 4.200 2.448 2.440 2.454 . 0 0 "[ . ]" 2 stop_ save_ save_distance_constraint_statistics_3 _Distance_constraint_stats_list.Sf_category distance_constraint_statistics _Distance_constraint_stats_list.Constraint_list_ID 3 _Distance_constraint_stats_list.Constraint_count 25 _Distance_constraint_stats_list.Viol_count 43 _Distance_constraint_stats_list.Viol_total 35.485 _Distance_constraint_stats_list.Viol_max 0.721 _Distance_constraint_stats_list.Viol_rms 0.0794 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0175 _Distance_constraint_stats_list.Viol_average_violations_only 0.0917 _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 2 G 0.053 0.020 4 0 "[ . ]" 1 4 G 0.000 0.000 . 0 "[ . ]" 1 5 PSU 3.306 0.721 9 4 "[-* .* +]" 1 6 A 0.451 0.092 9 0 "[ . ]" 1 7 G 0.000 0.000 . 0 "[ . ]" 1 9 A 0.012 0.008 4 0 "[ . ]" 2 2 A 0.066 0.020 4 0 "[ . ]" 2 3 C 0.000 0.000 . 0 "[ . ]" 2 5 A 0.353 0.047 8 0 "[ . ]" 2 6 A 3.015 0.721 9 4 "[-* .* +]" 2 7 C 0.628 0.078 7 0 "[ . ]" 2 8 A 0.000 0.000 . 0 "[ . ]" 2 9 C 0.000 0.000 . 0 "[ . ]" 2 10 C 0.000 0.000 . 0 "[ . ]" 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 A H1' 2 5 A H2 4.500 2.500 5.400 3.342 2.472 4.523 0.028 5 0 "[ . ]" 3 2 1 4 G H1' 2 8 A H2 4.500 2.500 5.400 4.764 4.203 5.362 . 0 0 "[ . ]" 3 3 2 2 A H2 2 3 C H1' 4.500 2.500 5.400 3.475 3.307 3.662 . 0 0 "[ . ]" 3 4 1 9 A H1' 2 2 A H2 5.500 3.000 6.600 4.291 3.953 4.952 . 0 0 "[ . ]" 3 5 2 8 A H2 2 9 C H1' 4.500 2.500 5.400 3.425 3.068 3.597 . 0 0 "[ . ]" 3 6 1 6 A H2 1 7 G H1' 4.500 2.500 5.400 3.125 2.675 3.686 . 0 0 "[ . ]" 3 7 1 9 A H2 2 2 A H1' 5.500 3.000 6.600 3.382 2.992 3.932 0.008 4 0 "[ . ]" 3 8 1 5 PSU H1' 2 5 A H2 4.500 2.500 5.400 5.243 4.750 5.447 0.047 8 0 "[ . ]" 3 9 1 9 A H2' 2 2 A H2 5.500 3.000 6.600 6.255 5.850 6.604 0.004 4 0 "[ . ]" 3 10 2 5 A H2 2 7 C H1' 5.500 3.000 6.600 5.341 4.427 6.431 . 0 0 "[ . ]" 3 11 1 4 G H1' 2 6 A H62 5.000 5.000 35.000 10.916 9.572 11.541 . 0 0 "[ . ]" 3 12 1 5 PSU O4 2 6 A H61 5.000 5.000 35.000 5.209 4.279 7.638 0.721 9 4 "[-* .* +]" 3 13 2 5 A H2 2 6 A H8 5.000 5.000 35.000 5.548 5.001 6.715 . 0 0 "[ . ]" 3 14 1 6 A H8 2 5 A H2 5.000 5.000 35.000 5.979 5.362 6.724 . 0 0 "[ . ]" 3 15 1 6 A H2 2 5 A H8 5.000 5.000 35.000 5.539 4.967 6.982 0.033 1 0 "[ . ]" 3 16 2 5 A H2 2 6 A H2 5.000 5.000 35.000 6.629 5.787 7.849 . 0 0 "[ . ]" 3 17 1 6 A H2 2 6 A H8 5.000 5.000 35.000 5.213 4.908 6.239 0.092 9 0 "[ . ]" 3 18 1 2 G P 2 2 A P 25.000 25.000 75.000 25.150 24.980 25.574 0.020 4 0 "[ . ]" 3 19 1 9 A P 2 10 C P 25.000 25.000 75.000 30.757 29.282 31.596 . 0 0 "[ . ]" 3 20 1 7 G P 2 7 C C2' 10.000 10.000 40.000 12.646 11.605 13.704 . 0 0 "[ . ]" 3 21 1 5 PSU C1' 2 7 C C2' 10.000 10.000 40.000 9.943 9.922 9.974 0.078 7 0 "[ . ]" 3 22 1 5 PSU H2' 2 5 A H2 5.000 5.000 35.000 5.475 4.972 5.818 0.028 5 0 "[ . ]" 3 23 2 6 A H2 2 7 C H5 5.000 5.000 35.000 8.466 7.568 9.129 . 0 0 "[ . ]" 3 24 2 6 A H8 2 7 C H5 5.000 5.000 35.000 5.516 4.949 6.053 0.051 1 0 "[ . ]" 3 25 1 4 G H1 2 6 A H2 5.000 5.000 35.000 8.496 7.977 9.615 . 0 0 "[ . ]" 3 stop_ save_ save_distance_constraint_statistics_4 _Distance_constraint_stats_list.Sf_category distance_constraint_statistics _Distance_constraint_stats_list.Constraint_list_ID 4 _Distance_constraint_stats_list.Constraint_count 106 _Distance_constraint_stats_list.Viol_count 161 _Distance_constraint_stats_list.Viol_total 43.741 _Distance_constraint_stats_list.Viol_max 0.154 _Distance_constraint_stats_list.Viol_rms 0.0184 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0051 _Distance_constraint_stats_list.Viol_average_violations_only 0.0302 _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 1 G 0.000 0.000 . 0 "[ . ]" 1 2 G 0.269 0.050 4 0 "[ . ]" 1 3 U 0.454 0.050 4 0 "[ . ]" 1 4 G 0.156 0.037 7 0 "[ . ]" 1 5 PSU 0.200 0.124 3 0 "[ . ]" 1 6 A 0.328 0.124 3 0 "[ . ]" 1 7 G 0.370 0.040 9 0 "[ . ]" 1 8 U 0.404 0.040 9 0 "[ . ]" 1 9 A 0.033 0.017 7 0 "[ . ]" 2 1 U 0.002 0.002 2 0 "[ . ]" 2 2 A 0.861 0.082 1 0 "[ . ]" 2 3 C 0.858 0.082 1 0 "[ . ]" 2 4 U 0.348 0.057 2 0 "[ . ]" 2 5 A 0.595 0.136 3 0 "[ . ]" 2 6 A 0.770 0.136 3 0 "[ . ]" 2 7 C 1.791 0.154 7 0 "[ . ]" 2 8 A 1.667 0.154 7 0 "[ . ]" 2 9 C 0.351 0.033 4 0 "[ . ]" 2 10 C 0.262 0.033 4 0 "[ . ]" 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 2 2 A H8 2 3 C H6 4.500 2.500 5.400 5.018 4.757 5.142 . 0 0 "[ . ]" 4 2 1 5 PSU H6 1 6 A H8 4.500 2.500 5.400 4.991 4.084 5.524 0.124 3 0 "[ . ]" 4 3 2 4 U H6 2 5 A H8 4.500 2.500 5.400 5.231 4.781 5.438 0.038 4 0 "[ . ]" 4 4 2 6 A H8 2 7 C H6 4.500 2.500 5.400 5.325 5.073 5.455 0.055 7 0 "[ . ]" 4 5 2 7 C H6 2 8 A H8 4.500 2.500 5.400 4.355 3.811 4.825 . 0 0 "[ . ]" 4 6 1 8 U H6 1 9 A H8 4.500 2.500 5.400 4.581 4.131 5.034 . 0 0 "[ . ]" 4 7 2 1 U H6 2 2 A H8 4.500 2.500 5.400 4.506 4.323 4.748 . 0 0 "[ . ]" 4 8 2 8 A H8 2 9 C H6 4.500 2.500 5.400 5.133 4.827 5.273 . 0 0 "[ . ]" 4 9 1 6 A H8 1 7 G H8 4.500 2.500 5.400 4.698 4.274 4.968 . 0 0 "[ . ]" 4 10 2 9 C H6 2 10 C H6 4.500 2.500 5.400 4.443 4.322 4.660 . 0 0 "[ . ]" 4 11 1 7 G H8 1 8 U H6 4.500 2.500 5.400 4.837 4.651 4.936 . 0 0 "[ . ]" 4 12 1 4 G H8 1 5 PSU H6 4.500 2.500 5.400 5.166 4.471 5.434 0.034 6 0 "[ . ]" 4 13 2 2 A H8 2 3 C H5 5.500 3.000 6.600 4.322 4.028 4.470 . 0 0 "[ . ]" 4 14 2 7 C H5 2 8 A H8 5.500 3.000 6.600 5.328 4.892 5.717 . 0 0 "[ . ]" 4 15 1 7 G H8 1 8 U H5 5.500 3.000 6.600 4.039 3.772 4.144 . 0 0 "[ . ]" 4 16 2 8 A H8 2 9 C H5 5.500 3.000 6.600 4.029 3.758 4.192 . 0 0 "[ . ]" 4 17 1 2 G H8 1 3 U H5 5.500 3.000 6.600 4.601 4.456 4.743 . 0 0 "[ . ]" 4 18 2 3 C H6 2 4 U H5 5.500 3.000 6.600 4.235 4.006 4.642 . 0 0 "[ . ]" 4 19 2 1 U H1' 2 2 A H8 4.500 2.500 5.400 4.551 4.488 4.722 . 0 0 "[ . ]" 4 20 2 2 A H1' 2 3 C H6 4.500 2.500 5.400 4.485 4.447 4.529 . 0 0 "[ . ]" 4 21 2 3 C H1' 2 4 U H6 4.500 2.500 5.400 4.804 4.711 5.112 . 0 0 "[ . ]" 4 22 2 4 U H1' 2 5 A H8 5.500 3.000 6.600 3.755 3.151 4.356 . 0 0 "[ . ]" 4 23 2 5 A H1' 2 6 A H8 5.500 3.000 6.600 3.362 2.950 4.417 0.050 5 0 "[ . ]" 4 24 2 6 A H1' 2 7 C H6 5.500 3.000 6.600 4.308 3.649 4.903 . 0 0 "[ . ]" 4 25 2 7 C H1' 2 8 A H8 4.500 2.500 5.400 5.281 5.181 5.342 . 0 0 "[ . ]" 4 26 2 8 A H1' 2 9 C H6 5.500 3.000 6.600 4.769 4.604 4.857 . 0 0 "[ . ]" 4 27 2 9 C H1' 2 10 C H6 5.500 3.000 6.600 4.564 4.492 4.683 . 0 0 "[ . ]" 4 28 1 1 G H1' 1 2 G H8 5.500 3.000 6.600 4.695 4.501 4.863 . 0 0 "[ . ]" 4 29 1 2 G H1' 1 3 U H6 5.500 3.000 6.600 4.559 4.497 4.617 . 0 0 "[ . ]" 4 30 1 3 U H1' 1 4 G H8 4.500 2.500 5.400 4.754 4.628 4.894 . 0 0 "[ . ]" 4 31 1 4 G H1' 1 5 PSU H6 5.500 3.000 6.600 4.985 3.896 5.320 . 0 0 "[ . ]" 4 32 1 5 PSU H1' 1 6 A H8 5.500 3.000 6.600 4.713 4.134 5.039 . 0 0 "[ . ]" 4 33 1 6 A H1' 1 7 G H8 4.500 2.500 5.400 4.501 4.354 4.696 . 0 0 "[ . ]" 4 34 1 7 G H1' 1 8 U H6 4.500 2.500 5.400 4.519 4.446 4.582 . 0 0 "[ . ]" 4 35 1 8 U H1' 1 9 A H8 4.500 2.500 5.400 4.523 4.200 4.825 . 0 0 "[ . ]" 4 36 2 6 A H1' 2 7 C H5 5.500 3.000 6.600 5.960 5.311 6.245 . 0 0 "[ . ]" 4 37 1 7 G H1' 1 8 U H5 4.500 2.500 5.400 5.432 5.422 5.440 0.040 9 0 "[ . ]" 4 38 1 2 G H1' 1 3 U H5 4.500 2.500 5.400 5.429 5.416 5.450 0.050 4 0 "[ . ]" 4 39 2 8 A H1' 2 9 C H5 4.500 2.500 5.400 5.402 5.350 5.419 0.019 7 0 "[ . ]" 4 40 2 2 A H1' 2 3 C H5 4.500 2.500 5.400 5.420 5.410 5.430 0.030 4 0 "[ . ]" 4 41 2 1 U H2' 2 2 A H8 2.500 . 3.000 2.140 1.975 2.517 . 0 0 "[ . ]" 4 42 1 8 U H2' 1 9 A H8 2.500 . 3.000 2.095 2.013 2.242 . 0 0 "[ . ]" 4 43 2 7 C H2' 2 8 A H8 2.500 . 3.000 3.018 2.978 3.044 0.044 1 0 "[ . ]" 4 44 2 3 C H2' 2 4 U H6 2.500 . 3.000 2.180 2.093 2.450 . 0 0 "[ . ]" 4 45 1 4 G H2' 1 5 PSU H6 2.500 . 3.000 2.489 2.284 2.720 . 0 0 "[ . ]" 4 46 1 5 PSU H2' 1 6 A H8 2.500 . 3.000 2.204 1.843 2.464 . 0 0 "[ . ]" 4 47 1 7 G H2' 1 8 U H6 2.500 . 3.000 2.204 2.040 2.301 . 0 0 "[ . ]" 4 48 2 9 C H2' 2 10 C H6 2.500 . 3.000 2.103 2.076 2.122 . 0 0 "[ . ]" 4 49 2 2 A H2' 2 3 C H6 2.500 . 3.000 2.008 1.960 2.112 . 0 0 "[ . ]" 4 50 2 6 A H2' 2 7 C H6 3.500 . 4.200 3.760 2.559 4.124 . 0 0 "[ . ]" 4 51 1 6 A H2' 1 7 G H8 2.500 . 3.000 2.176 2.054 2.362 . 0 0 "[ . ]" 4 52 2 8 A H2' 2 9 C H6 2.500 . 3.000 2.097 2.067 2.154 . 0 0 "[ . ]" 4 53 1 2 G H2' 1 3 U H6 2.500 . 3.000 2.038 1.973 2.121 . 0 0 "[ . ]" 4 54 2 4 U H2' 2 5 A H8 3.500 . 4.200 3.988 3.721 4.214 0.014 4 0 "[ . ]" 4 55 2 5 A H2' 2 6 A H8 3.500 . 4.200 3.402 2.063 4.257 0.057 9 0 "[ . ]" 4 56 2 8 A H2' 2 9 C H5 3.500 . 4.200 3.414 3.321 3.731 . 0 0 "[ . ]" 4 57 1 7 G H2' 1 8 U H5 3.500 . 4.200 3.928 3.770 4.012 . 0 0 "[ . ]" 4 58 2 6 A H2' 2 7 C H5 5.500 3.000 6.600 4.179 2.966 4.528 0.034 4 0 "[ . ]" 4 59 2 7 C H3' 2 8 A H8 2.500 . 3.000 2.259 2.147 2.432 . 0 0 "[ . ]" 4 60 1 8 U H3' 1 9 A H8 2.500 . 3.000 2.685 2.320 3.012 0.012 8 0 "[ . ]" 4 61 1 7 G H3' 1 8 U H6 2.500 . 3.000 3.009 2.998 3.027 0.027 8 0 "[ . ]" 4 62 2 9 C H3' 2 10 C H6 2.500 . 3.000 2.628 2.548 2.808 . 0 0 "[ . ]" 4 63 1 3 U H3' 1 4 G H8 2.500 . 3.000 2.924 2.573 3.037 0.037 7 0 "[ . ]" 4 64 2 3 C H3' 2 4 U H6 3.500 . 4.200 3.366 3.205 3.620 . 0 0 "[ . ]" 4 65 1 6 A H3' 1 7 G H8 3.500 . 4.200 2.911 2.641 3.073 . 0 0 "[ . ]" 4 66 1 4 G H3' 1 5 PSU H6 3.500 . 4.200 3.209 2.292 3.614 . 0 0 "[ . ]" 4 67 2 8 A H3' 2 9 C H6 3.500 . 4.200 3.139 2.798 3.281 . 0 0 "[ . ]" 4 68 2 6 A H3' 2 7 C H5 4.500 2.500 5.400 5.127 3.801 5.444 0.044 6 0 "[ . ]" 4 69 2 8 A H3' 2 9 C H5 4.500 2.500 5.400 3.003 2.815 3.119 . 0 0 "[ . ]" 4 70 1 8 U H2' 1 9 A H1' 3.500 . 4.200 3.890 3.438 4.217 0.017 7 0 "[ . ]" 4 71 1 1 G H2' 1 2 G H1' 3.500 . 4.200 4.051 3.936 4.141 . 0 0 "[ . ]" 4 72 1 5 PSU H2' 1 6 A H1' 3.500 . 4.200 3.626 3.482 3.822 . 0 0 "[ . ]" 4 73 2 9 C H2' 2 10 C H1' 3.500 . 4.200 4.219 4.201 4.233 0.033 4 0 "[ . ]" 4 74 2 7 C H2' 2 8 A H1' 3.500 . 4.200 2.374 2.257 2.470 . 0 0 "[ . ]" 4 75 1 6 A H2' 1 7 G H1' 3.500 . 4.200 3.897 3.755 4.062 . 0 0 "[ . ]" 4 76 2 1 U H2' 2 2 A H1' 3.500 . 4.200 3.972 3.884 4.202 0.002 2 0 "[ . ]" 4 77 2 5 A H2' 2 6 A H1' 5.500 3.000 6.600 6.207 5.686 6.736 0.136 3 0 "[ . ]" 4 78 2 6 A H2' 2 7 C H1' 5.500 3.000 6.600 5.812 4.997 6.193 . 0 0 "[ . ]" 4 79 1 3 U H2' 1 4 G H1' 4.500 2.500 5.400 3.838 3.562 4.033 . 0 0 "[ . ]" 4 80 2 3 C H2' 2 4 U H1' 5.500 3.000 6.600 4.582 4.438 4.715 . 0 0 "[ . ]" 4 81 1 7 G H3' 1 8 U H1' 5.500 3.000 6.600 6.209 6.063 6.286 . 0 0 "[ . ]" 4 82 2 7 C H3' 2 8 A H1' 3.500 . 4.200 4.343 4.331 4.354 0.154 7 0 "[ . ]" 4 83 2 7 C H1' 2 8 A H1' 4.500 2.500 5.400 4.559 4.356 4.716 . 0 0 "[ . ]" 4 84 2 2 A H1' 2 3 C H1' 4.500 2.500 5.400 5.384 5.299 5.421 0.021 2 0 "[ . ]" 4 85 2 8 A H1' 2 9 C H1' 4.500 2.500 5.400 5.368 5.254 5.409 0.009 9 0 "[ . ]" 4 86 2 8 A H2' 2 9 C H1' 5.500 3.000 6.600 3.785 3.729 3.847 . 0 0 "[ . ]" 4 87 2 9 C H1' 2 10 C H2' 5.500 3.000 6.600 6.584 6.541 6.604 0.004 5 0 "[ . ]" 4 88 1 2 G H1 1 3 U H3 5.500 3.000 6.600 3.040 2.995 3.159 0.005 1 0 "[ . ]" 4 89 1 3 U H3 1 4 G H1 4.500 2.500 5.400 4.066 3.690 4.545 . 0 0 "[ . ]" 4 90 2 2 A H8 2 3 C H42 5.500 3.000 6.600 5.557 5.328 5.755 . 0 0 "[ . ]" 4 91 1 1 G H22 1 2 G H22 5.500 3.000 6.600 5.217 4.792 5.452 . 0 0 "[ . ]" 4 92 1 2 G H22 2 8 A H2 5.500 3.000 6.600 6.017 5.832 6.241 . 0 0 "[ . ]" 4 93 2 2 A H61 2 3 C H42 2.500 . 3.000 3.070 3.056 3.082 0.082 1 0 "[ . ]" 4 94 2 9 C H41 2 10 C H42 2.500 . 3.000 3.009 3.001 3.020 0.020 3 0 "[ . ]" 4 95 1 6 A H2 2 4 U H3 5.500 3.000 6.600 2.980 2.943 3.023 0.057 2 0 "[ . ]" 4 96 1 3 U H3 2 8 A H2 2.500 . 3.000 2.644 2.596 2.715 . 0 0 "[ . ]" 4 97 1 3 U H3 2 8 A H62 5.500 3.000 6.600 4.462 4.443 4.485 . 0 0 "[ . ]" 4 98 1 3 U H3 2 8 A H61 5.500 3.000 6.600 2.988 2.980 2.996 0.020 5 0 "[ . ]" 4 99 1 4 G H1 2 8 A H1' 5.500 3.000 6.600 5.382 5.132 5.700 . 0 0 "[ . ]" 4 100 1 4 G H1 2 7 C H41 4.500 2.500 5.400 2.772 2.557 2.875 . 0 0 "[ . ]" 4 101 1 4 G H1 2 7 C H42 4.500 2.500 5.400 4.258 4.066 4.375 . 0 0 "[ . ]" 4 102 1 2 G H1 2 9 C H41 4.500 2.500 5.400 2.757 2.687 2.838 . 0 0 "[ . ]" 4 103 1 2 G H1 2 9 C H42 4.500 2.500 5.400 4.207 4.136 4.304 . 0 0 "[ . ]" 4 104 1 7 G H1 2 3 C H42 4.500 2.500 5.400 4.303 4.282 4.341 . 0 0 "[ . ]" 4 105 1 7 G H1 2 3 C H41 4.500 2.500 5.400 2.804 2.781 2.853 . 0 0 "[ . ]" 4 106 2 2 A H61 2 3 C H5 4.500 2.500 5.400 4.757 4.696 4.838 . 0 0 "[ . ]" 4 stop_ save_
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