NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
571523 | 2mi0 | 19662 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2mi0 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 86 _Distance_constraint_stats_list.Viol_count 1028 _Distance_constraint_stats_list.Viol_total 383.281 _Distance_constraint_stats_list.Viol_max 0.073 _Distance_constraint_stats_list.Viol_rms 0.0141 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0101 _Distance_constraint_stats_list.Viol_average_violations_only 0.0178 _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 0.554 0.026 20 0 "[ . 1 . 2 ]" 1 2 A 0.221 0.019 3 0 "[ . 1 . 2 ]" 1 3 G 1.507 0.073 16 0 "[ . 1 . 2 ]" 1 4 C 1.636 0.072 8 0 "[ . 1 . 2 ]" 1 5 A 0.254 0.030 9 0 "[ . 1 . 2 ]" 1 6 G 1.835 0.057 15 0 "[ . 1 . 2 ]" 1 11 G 1.846 0.053 2 0 "[ . 1 . 2 ]" 1 12 U 0.296 0.023 16 0 "[ . 1 . 2 ]" 1 13 C 2.143 0.067 20 0 "[ . 1 . 2 ]" 1 16 C 1.835 0.057 15 0 "[ . 1 . 2 ]" 1 17 U 0.254 0.030 9 0 "[ . 1 . 2 ]" 1 18 G 1.636 0.072 8 0 "[ . 1 . 2 ]" 1 19 C 1.507 0.073 16 0 "[ . 1 . 2 ]" 1 20 U 0.221 0.019 3 0 "[ . 1 . 2 ]" 1 21 C 0.554 0.026 20 0 "[ . 1 . 2 ]" 2 1 G 0.481 0.023 7 0 "[ . 1 . 2 ]" 2 2 C 1.412 0.063 17 0 "[ . 1 . 2 ]" 2 3 G 0.906 0.047 16 0 "[ . 1 . 2 ]" 2 4 G 1.179 0.059 10 0 "[ . 1 . 2 ]" 2 5 C 1.681 0.057 11 0 "[ . 1 . 2 ]" 2 6 A 0.396 0.045 11 0 "[ . 1 . 2 ]" 2 7 G 1.907 0.067 3 0 "[ . 1 . 2 ]" 2 10 G 2.143 0.067 20 0 "[ . 1 . 2 ]" 2 11 A 0.296 0.023 16 0 "[ . 1 . 2 ]" 2 12 C 1.846 0.053 2 0 "[ . 1 . 2 ]" 2 15 C 1.907 0.067 3 0 "[ . 1 . 2 ]" 2 16 U 0.396 0.045 11 0 "[ . 1 . 2 ]" 2 17 G 1.681 0.057 11 0 "[ . 1 . 2 ]" 2 18 U 1.179 0.059 10 0 "[ . 1 . 2 ]" 2 19 C 0.906 0.047 16 0 "[ . 1 . 2 ]" 2 20 G 1.412 0.063 17 0 "[ . 1 . 2 ]" 2 21 C 0.481 0.023 7 0 "[ . 1 . 2 ]" stop_ loop_ _Distance_constraint_stats.Restraint_ID _Distance_constraint_stats.Atom_1_entity_assembly_ID _Distance_constraint_stats.Atom_1_comp_index_ID _Distance_constraint_stats.Atom_1_comp_ID _Distance_constraint_stats.Atom_1_ID _Distance_constraint_stats.Atom_2_entity_assembly_ID _Distance_constraint_stats.Atom_2_comp_index_ID _Distance_constraint_stats.Atom_2_comp_ID _Distance_constraint_stats.Atom_2_ID _Distance_constraint_stats.Node_1_distance_val _Distance_constraint_stats.Node_1_distance_lower_bound_val _Distance_constraint_stats.Node_1_distance_upper_bound_val _Distance_constraint_stats.Distance_average _Distance_constraint_stats.Distance_minimum _Distance_constraint_stats.Distance_maximum _Distance_constraint_stats.Max_violation _Distance_constraint_stats.Max_violation_model_number _Distance_constraint_stats.Over_cutoff_violation_count _Distance_constraint_stats.Over_cutoff_viol_per_model _Distance_constraint_stats.Distance_constraint_stats_ID 1 1 1 G O6 1 21 C N4 2.910 2.870 2.950 2.962 2.956 2.974 0.024 20 0 "[ . 1 . 2 ]" 1 2 1 3 G O6 1 19 C N4 2.910 2.870 2.950 2.941 2.883 2.965 0.015 16 0 "[ . 1 . 2 ]" 1 3 1 4 C N4 1 18 G O6 2.910 2.870 2.950 2.956 2.906 2.980 0.030 19 0 "[ . 1 . 2 ]" 1 4 1 6 G O6 1 16 C N4 2.910 2.870 2.950 2.948 2.881 2.974 0.024 4 0 "[ . 1 . 2 ]" 1 5 2 1 G O6 2 21 C N4 2.910 2.870 2.950 2.955 2.929 2.971 0.021 7 0 "[ . 1 . 2 ]" 1 6 2 2 C N4 2 20 G O6 2.910 2.870 2.950 2.939 2.883 2.966 0.016 19 0 "[ . 1 . 2 ]" 1 7 2 3 G O6 2 19 C N4 2.910 2.870 2.950 2.956 2.925 2.972 0.022 16 0 "[ . 1 . 2 ]" 1 8 2 5 C N4 2 17 G O6 2.910 2.870 2.950 2.954 2.914 2.972 0.022 12 0 "[ . 1 . 2 ]" 1 9 2 7 G O6 2 15 C N4 2.910 2.870 2.950 2.943 2.882 2.967 0.017 21 0 "[ . 1 . 2 ]" 1 10 1 11 G O6 2 12 C N4 2.910 2.870 2.950 2.967 2.951 2.982 0.032 5 0 "[ . 1 . 2 ]" 1 11 1 13 C N4 2 10 G O6 2.910 2.870 2.950 2.970 2.951 2.994 0.044 21 0 "[ . 1 . 2 ]" 1 12 1 1 G H1 1 21 C N3 2.000 . 2.040 2.013 1.952 2.051 0.011 11 0 "[ . 1 . 2 ]" 1 13 1 3 G H1 1 19 C N3 2.000 . 2.040 1.966 1.909 2.050 0.051 16 0 "[ . 1 . 2 ]" 1 14 1 4 C N3 1 18 G H1 2.000 . 2.040 1.957 1.920 2.059 0.040 19 0 "[ . 1 . 2 ]" 1 15 1 6 G H1 1 16 C N3 2.000 . 2.040 1.944 1.915 1.999 0.045 4 0 "[ . 1 . 2 ]" 1 16 2 1 G H1 2 21 C N3 2.000 . 2.040 1.968 1.940 1.998 0.020 11 0 "[ . 1 . 2 ]" 1 17 2 2 C N3 2 20 G H1 2.000 . 2.040 1.982 1.941 2.042 0.019 19 0 "[ . 1 . 2 ]" 1 18 2 3 G H1 2 19 C N3 2.000 . 2.040 1.935 1.913 1.951 0.047 16 0 "[ . 1 . 2 ]" 1 19 2 5 C N3 2 17 G H1 2.000 . 2.040 1.958 1.918 1.990 0.042 11 0 "[ . 1 . 2 ]" 1 20 2 7 G H1 2 15 C N3 2.000 . 2.040 1.955 1.919 2.047 0.041 21 0 "[ . 1 . 2 ]" 1 21 1 11 G H1 2 12 C N3 2.000 . 2.040 1.963 1.907 2.079 0.053 2 0 "[ . 1 . 2 ]" 1 22 1 13 C N3 2 10 G H1 2.000 . 2.040 1.958 1.911 2.051 0.049 21 0 "[ . 1 . 2 ]" 1 23 1 1 G N1 1 21 C N3 2.950 2.910 2.990 2.928 2.891 2.976 0.019 8 0 "[ . 1 . 2 ]" 1 24 1 3 G N1 1 19 C N3 2.950 2.910 2.990 2.914 2.899 2.941 0.011 2 0 "[ . 1 . 2 ]" 1 25 1 4 C N3 1 18 G N1 2.950 2.910 2.990 2.924 2.891 2.969 0.019 15 0 "[ . 1 . 2 ]" 1 26 1 6 G N1 1 16 C N3 2.950 2.910 2.990 2.895 2.853 2.938 0.057 20 0 "[ . 1 . 2 ]" 1 27 2 1 G N1 2 21 C N3 2.950 2.910 2.990 2.965 2.948 2.986 . 0 0 "[ . 1 . 2 ]" 1 28 2 2 C N3 2 20 G N1 2.950 2.910 2.990 2.892 2.881 2.907 0.029 2 0 "[ . 1 . 2 ]" 1 29 2 3 G N1 2 19 C N3 2.950 2.910 2.990 2.935 2.901 2.955 0.009 9 0 "[ . 1 . 2 ]" 1 30 2 5 C N3 2 17 G N1 2.950 2.910 2.990 2.933 2.904 2.951 0.006 12 0 "[ . 1 . 2 ]" 1 31 2 7 G N1 2 15 C N3 2.950 2.910 2.990 2.912 2.890 2.938 0.020 19 0 "[ . 1 . 2 ]" 1 32 1 11 G N1 2 12 C N3 2.950 2.910 2.990 2.932 2.875 2.959 0.035 11 0 "[ . 1 . 2 ]" 1 33 1 13 C N3 2 10 G N1 2.950 2.910 2.990 2.936 2.872 2.974 0.038 15 0 "[ . 1 . 2 ]" 1 34 1 1 G N2 1 21 C O2 2.860 2.820 2.900 2.832 2.807 2.901 0.013 11 0 "[ . 1 . 2 ]" 1 35 1 3 G N2 1 19 C O2 2.860 2.820 2.900 2.795 2.768 2.813 0.052 17 0 "[ . 1 . 2 ]" 1 36 1 4 C O2 1 18 G N2 2.860 2.820 2.900 2.814 2.748 2.892 0.072 8 0 "[ . 1 . 2 ]" 1 37 1 6 G N2 1 16 C O2 2.860 2.820 2.900 2.889 2.785 2.928 0.035 15 0 "[ . 1 . 2 ]" 1 38 2 1 G N2 2 21 C O2 2.860 2.820 2.900 2.876 2.821 2.902 0.002 21 0 "[ . 1 . 2 ]" 1 39 2 2 C O2 2 20 G N2 2.860 2.820 2.900 2.805 2.769 2.860 0.051 8 0 "[ . 1 . 2 ]" 1 40 2 3 G N2 2 19 C O2 2.860 2.820 2.900 2.902 2.812 2.918 0.018 1 0 "[ . 1 . 2 ]" 1 41 2 5 C O2 2 17 G N2 2.860 2.820 2.900 2.797 2.776 2.846 0.044 12 0 "[ . 1 . 2 ]" 1 42 2 7 G N2 2 15 C O2 2.860 2.820 2.900 2.802 2.756 2.902 0.064 11 0 "[ . 1 . 2 ]" 1 43 1 11 G N2 2 12 C O2 2.860 2.820 2.900 2.812 2.772 2.909 0.048 13 0 "[ . 1 . 2 ]" 1 44 1 13 C O2 2 10 G N2 2.860 2.820 2.900 2.811 2.778 2.898 0.042 4 0 "[ . 1 . 2 ]" 1 45 1 1 G N2 1 21 C H6 6.700 6.600 6.800 6.680 6.601 6.808 0.008 20 0 "[ . 1 . 2 ]" 1 46 1 3 G N2 1 19 C H6 6.700 6.600 6.800 6.829 6.788 6.873 0.073 16 0 "[ . 1 . 2 ]" 1 47 1 4 C H6 1 18 G N2 6.700 6.600 6.800 6.822 6.718 6.865 0.065 9 0 "[ . 1 . 2 ]" 1 48 1 6 G N2 1 16 C H6 6.700 6.600 6.800 6.827 6.804 6.857 0.057 15 0 "[ . 1 . 2 ]" 1 49 2 1 G N2 2 21 C H6 6.700 6.600 6.800 6.809 6.802 6.817 0.017 15 0 "[ . 1 . 2 ]" 1 50 2 2 C H6 2 20 G N2 6.700 6.600 6.800 6.821 6.752 6.863 0.063 17 0 "[ . 1 . 2 ]" 1 51 2 3 G N2 2 19 C H6 6.700 6.600 6.800 6.648 6.597 6.713 0.003 2 0 "[ . 1 . 2 ]" 1 52 2 5 C H6 2 17 G N2 6.700 6.600 6.800 6.829 6.808 6.857 0.057 11 0 "[ . 1 . 2 ]" 1 53 2 7 G N2 2 15 C H6 6.700 6.600 6.800 6.795 6.588 6.867 0.067 3 0 "[ . 1 . 2 ]" 1 54 1 11 G N2 2 12 C H6 6.700 6.600 6.800 6.821 6.740 6.853 0.053 17 0 "[ . 1 . 2 ]" 1 55 1 13 C H6 2 10 G N2 6.700 6.600 6.800 6.829 6.784 6.867 0.067 20 0 "[ . 1 . 2 ]" 1 56 1 1 G O6 1 21 C H5 5.600 5.500 5.700 5.496 5.474 5.560 0.026 20 0 "[ . 1 . 2 ]" 1 57 1 3 G O6 1 19 C H5 5.600 5.500 5.700 5.530 5.488 5.616 0.012 10 0 "[ . 1 . 2 ]" 1 58 1 4 C H5 1 18 G O6 5.600 5.500 5.700 5.566 5.494 5.639 0.006 4 0 "[ . 1 . 2 ]" 1 59 1 6 G O6 1 16 C H5 5.600 5.500 5.700 5.563 5.485 5.626 0.015 16 0 "[ . 1 . 2 ]" 1 60 2 1 G O6 2 21 C H5 5.600 5.500 5.700 5.530 5.477 5.614 0.023 7 0 "[ . 1 . 2 ]" 1 61 2 2 C H5 2 20 G O6 5.600 5.500 5.700 5.582 5.496 5.623 0.004 21 0 "[ . 1 . 2 ]" 1 62 2 3 G O6 2 19 C H5 5.600 5.500 5.700 5.567 5.500 5.633 0.000 15 0 "[ . 1 . 2 ]" 1 63 2 5 C H5 2 17 G O6 5.600 5.500 5.700 5.497 5.476 5.575 0.024 10 0 "[ . 1 . 2 ]" 1 64 2 7 G O6 2 15 C H5 5.600 5.500 5.700 5.579 5.489 5.628 0.011 18 0 "[ . 1 . 2 ]" 1 65 1 11 G O6 2 12 C H5 5.600 5.500 5.700 5.520 5.465 5.629 0.035 5 0 "[ . 1 . 2 ]" 1 66 1 13 C H5 2 10 G O6 5.600 5.500 5.700 5.490 5.458 5.613 0.042 6 0 "[ . 1 . 2 ]" 1 67 1 2 A N1 1 20 U H3 1.870 . 1.910 1.862 1.811 1.915 0.019 3 0 "[ . 1 . 2 ]" 1 68 1 5 A N1 1 17 U H3 1.870 . 1.910 1.850 1.800 1.909 0.030 9 0 "[ . 1 . 2 ]" 1 69 2 6 A N1 2 16 U H3 1.870 . 1.910 1.869 1.822 1.906 0.008 10 0 "[ . 1 . 2 ]" 1 70 1 12 U H3 2 11 A N1 1.870 . 1.910 1.840 1.807 1.918 0.023 16 0 "[ . 1 . 2 ]" 1 71 1 2 A N6 1 20 U O4 2.950 2.910 2.990 2.947 2.900 2.991 0.010 6 0 "[ . 1 . 2 ]" 1 72 1 5 A N6 1 17 U O4 2.950 2.910 2.990 2.954 2.905 3.009 0.019 2 0 "[ . 1 . 2 ]" 1 73 2 6 A N6 2 16 U O4 2.950 2.910 2.990 2.934 2.893 2.996 0.017 9 0 "[ . 1 . 2 ]" 1 74 1 12 U O4 2 11 A N6 2.950 2.910 2.990 2.968 2.911 2.999 0.009 17 0 "[ . 1 . 2 ]" 1 75 1 2 A N1 1 20 U N3 2.820 2.780 2.860 2.853 2.786 2.876 0.016 6 0 "[ . 1 . 2 ]" 1 76 1 5 A N1 1 17 U N3 2.820 2.780 2.860 2.827 2.778 2.865 0.005 14 0 "[ . 1 . 2 ]" 1 77 2 6 A N1 2 16 U N3 2.820 2.780 2.860 2.872 2.827 2.905 0.045 11 0 "[ . 1 . 2 ]" 1 78 1 12 U N3 2 11 A N1 2.820 2.780 2.860 2.811 2.777 2.866 0.006 19 0 "[ . 1 . 2 ]" 1 79 1 2 A N6 1 20 U H5 5.600 5.560 5.640 5.621 5.578 5.651 0.011 3 0 "[ . 1 . 2 ]" 1 80 1 5 A N6 1 17 U H5 5.600 5.560 5.640 5.592 5.539 5.653 0.021 14 0 "[ . 1 . 2 ]" 1 81 2 6 A N6 2 16 U H5 5.600 5.560 5.640 5.575 5.548 5.642 0.012 7 0 "[ . 1 . 2 ]" 1 82 1 12 U H5 2 11 A N6 5.600 5.560 5.640 5.629 5.576 5.660 0.020 20 0 "[ . 1 . 2 ]" 1 83 2 4 G O6 2 18 U H3 1.950 . 1.990 1.987 1.951 2.003 0.013 15 0 "[ . 1 . 2 ]" 1 84 2 4 G H1 2 18 U O2 1.950 . 1.990 1.904 1.884 1.924 0.026 19 0 "[ . 1 . 2 ]" 1 85 2 4 G O6 2 18 U N3 2.900 2.860 2.940 2.987 2.958 2.999 0.059 10 0 "[ . 1 . 2 ]" 1 86 2 4 G N1 2 18 U O2 2.900 2.860 2.940 2.900 2.861 2.923 . 0 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 520 _Distance_constraint_stats_list.Viol_count 621 _Distance_constraint_stats_list.Viol_total 217.944 _Distance_constraint_stats_list.Viol_max 0.314 _Distance_constraint_stats_list.Viol_rms 0.0070 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0010 _Distance_constraint_stats_list.Viol_average_violations_only 0.0167 _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 0.349 0.023 19 0 "[ . 1 . 2 ]" 1 2 A 0.231 0.014 8 0 "[ . 1 . 2 ]" 1 3 G 0.259 0.019 19 0 "[ . 1 . 2 ]" 1 4 C 0.148 0.016 8 0 "[ . 1 . 2 ]" 1 5 A 0.479 0.044 15 0 "[ . 1 . 2 ]" 1 6 G 0.140 0.039 8 0 "[ . 1 . 2 ]" 1 7 C 1.240 0.103 11 0 "[ . 1 . 2 ]" 1 8 A 0.081 0.012 17 0 "[ . 1 . 2 ]" 1 9 U 0.136 0.026 4 0 "[ . 1 . 2 ]" 1 10 C 0.004 0.002 10 0 "[ . 1 . 2 ]" 1 11 G 0.379 0.023 15 0 "[ . 1 . 2 ]" 1 12 U 0.049 0.026 4 0 "[ . 1 . 2 ]" 1 13 C 0.023 0.007 21 0 "[ . 1 . 2 ]" 1 14 G 1.261 0.103 11 0 "[ . 1 . 2 ]" 1 15 G 1.593 0.103 11 0 "[ . 1 . 2 ]" 1 16 C 0.117 0.028 20 0 "[ . 1 . 2 ]" 1 17 U 0.041 0.011 8 0 "[ . 1 . 2 ]" 1 18 G 0.135 0.023 15 0 "[ . 1 . 2 ]" 1 19 C 0.072 0.031 1 0 "[ . 1 . 2 ]" 1 20 U 0.064 0.016 21 0 "[ . 1 . 2 ]" 1 21 C 1.482 0.314 1 0 "[ . 1 . 2 ]" 1 22 A 2.593 0.314 1 0 "[ . 1 . 2 ]" 2 1 G 0.000 0.000 . 0 "[ . 1 . 2 ]" 2 2 C 0.015 0.005 8 0 "[ . 1 . 2 ]" 2 3 G 0.382 0.032 19 0 "[ . 1 . 2 ]" 2 4 G 0.155 0.017 10 0 "[ . 1 . 2 ]" 2 5 C 0.056 0.009 13 0 "[ . 1 . 2 ]" 2 6 A 0.785 0.042 4 0 "[ . 1 . 2 ]" 2 7 G 0.105 0.018 9 0 "[ . 1 . 2 ]" 2 8 U 0.320 0.024 8 0 "[ . 1 . 2 ]" 2 9 U 0.046 0.005 5 0 "[ . 1 . 2 ]" 2 10 G 0.095 0.014 18 0 "[ . 1 . 2 ]" 2 11 A 0.185 0.014 18 0 "[ . 1 . 2 ]" 2 12 C 0.020 0.008 14 0 "[ . 1 . 2 ]" 2 13 U 1.186 0.066 10 0 "[ . 1 . 2 ]" 2 14 A 0.467 0.024 8 0 "[ . 1 . 2 ]" 2 15 C 0.065 0.008 10 0 "[ . 1 . 2 ]" 2 16 U 0.001 0.001 1 0 "[ . 1 . 2 ]" 2 17 G 0.636 0.034 19 0 "[ . 1 . 2 ]" 2 18 U 0.091 0.010 3 0 "[ . 1 . 2 ]" 2 19 C 0.091 0.010 3 0 "[ . 1 . 2 ]" 2 20 G 0.389 0.030 3 0 "[ . 1 . 2 ]" 2 21 C 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 1 1 G H1' 1 22 A H2 4.500 . 4.500 3.846 2.946 4.501 0.001 10 0 "[ . 1 . 2 ]" 2 2 1 1 G H1' 1 2 A H8 5.500 . 5.500 5.062 5.000 5.082 . 0 0 "[ . 1 . 2 ]" 2 3 1 1 G H1' 1 1 G H2' 3.300 . 3.300 2.730 2.709 2.746 . 0 0 "[ . 1 . 2 ]" 2 4 1 1 G H1' 1 1 G Q5' 5.500 . 5.500 4.411 4.343 4.465 . 0 0 "[ . 1 . 2 ]" 2 5 1 1 G H2' 1 2 A H8 3.300 . 3.300 2.349 2.347 2.350 . 0 0 "[ . 1 . 2 ]" 2 6 1 1 G H2' 1 1 G H3' 3.300 . 3.300 2.358 2.354 2.362 . 0 0 "[ . 1 . 2 ]" 2 7 1 1 G H3' 1 2 A H8 3.300 . 3.300 3.285 3.190 3.314 0.014 8 0 "[ . 1 . 2 ]" 2 8 1 1 G H3' 1 1 G H8 3.300 . 3.300 3.304 3.171 3.323 0.023 19 0 "[ . 1 . 2 ]" 2 9 1 1 G H3' 1 1 G H4' 3.300 . 3.300 3.045 3.036 3.049 . 0 0 "[ . 1 . 2 ]" 2 10 1 1 G H3' 1 1 G Q5' 3.300 . 3.300 2.793 2.648 2.941 . 0 0 "[ . 1 . 2 ]" 2 11 1 1 G H4' 1 1 G H8 5.500 . 5.500 4.302 4.247 4.344 . 0 0 "[ . 1 . 2 ]" 2 12 1 1 G H5' 1 1 G H8 5.500 . 5.500 3.484 3.213 3.705 . 0 0 "[ . 1 . 2 ]" 2 13 1 1 G H5'' 1 1 G H8 5.500 . 5.500 4.198 4.062 4.383 . 0 0 "[ . 1 . 2 ]" 2 14 1 1 G H2' 1 1 G H8 5.500 . 5.500 4.106 3.979 4.168 . 0 0 "[ . 1 . 2 ]" 2 15 1 2 A H1' 1 3 G H8 5.500 . 5.500 5.038 4.936 5.103 . 0 0 "[ . 1 . 2 ]" 2 16 1 2 A H1' 1 2 A H2' 3.300 . 3.300 2.755 2.730 2.778 . 0 0 "[ . 1 . 2 ]" 2 17 1 2 A H2 1 21 C H1' 4.500 . 4.500 3.691 3.048 4.502 0.002 19 0 "[ . 1 . 2 ]" 2 18 1 2 A H2 1 3 G H1' 4.500 . 4.500 4.457 4.042 4.508 0.008 19 0 "[ . 1 . 2 ]" 2 19 1 2 A H2' 1 3 G H8 3.300 . 3.300 2.350 2.345 2.380 . 0 0 "[ . 1 . 2 ]" 2 20 1 2 A H3' 1 3 G H8 5.500 . 5.500 3.546 3.351 3.828 . 0 0 "[ . 1 . 2 ]" 2 21 1 2 A H3' 1 2 A H8 3.300 . 3.300 3.022 2.821 3.218 . 0 0 "[ . 1 . 2 ]" 2 22 1 2 A H2' 1 2 A H8 5.500 . 5.500 3.844 3.722 3.974 . 0 0 "[ . 1 . 2 ]" 2 23 1 3 G H1' 1 4 C H6 5.500 . 5.500 4.967 4.801 5.093 . 0 0 "[ . 1 . 2 ]" 2 24 1 3 G H1' 1 3 G H2' 3.300 . 3.300 2.738 2.717 2.756 . 0 0 "[ . 1 . 2 ]" 2 25 1 3 G H2' 1 4 C H6 3.300 . 3.300 2.348 2.344 2.349 . 0 0 "[ . 1 . 2 ]" 2 26 1 3 G H2' 1 4 C H5 5.500 . 5.500 4.050 3.703 4.366 . 0 0 "[ . 1 . 2 ]" 2 27 1 3 G H3' 1 4 C H5 5.500 . 5.500 4.104 3.740 4.445 . 0 0 "[ . 1 . 2 ]" 2 28 1 3 G H3' 1 3 G H8 3.300 . 3.300 2.955 2.576 3.155 . 0 0 "[ . 1 . 2 ]" 2 29 1 3 G H3' 1 4 C H6 3.300 . 3.300 3.287 3.151 3.316 0.016 8 0 "[ . 1 . 2 ]" 2 30 1 3 G H8 1 4 C H5 7.500 3.000 7.500 4.617 4.250 4.982 . 0 0 "[ . 1 . 2 ]" 2 31 1 4 C H1' 1 4 C H2' 3.300 . 3.300 2.832 2.789 2.878 . 0 0 "[ . 1 . 2 ]" 2 32 1 4 C H1' 1 5 A H8 5.500 . 5.500 5.039 4.933 5.151 . 0 0 "[ . 1 . 2 ]" 2 33 1 4 C H2' 1 5 A H8 3.300 . 3.300 2.349 2.347 2.350 . 0 0 "[ . 1 . 2 ]" 2 34 1 4 C H5 1 4 C H6 3.300 . 3.300 2.450 2.449 2.451 . 0 0 "[ . 1 . 2 ]" 2 35 1 4 C H2' 1 4 C H6 5.500 . 5.500 3.783 3.738 3.825 . 0 0 "[ . 1 . 2 ]" 2 36 1 5 A H1' 1 6 G H8 5.500 . 5.500 5.096 5.011 5.392 . 0 0 "[ . 1 . 2 ]" 2 37 1 5 A H1' 1 5 A H2' 3.300 . 3.300 2.811 2.773 2.870 . 0 0 "[ . 1 . 2 ]" 2 38 1 5 A H2' 1 6 G H8 3.300 . 3.300 2.400 2.348 2.752 . 0 0 "[ . 1 . 2 ]" 2 39 1 5 A H3' 1 6 G H8 5.500 . 5.500 3.705 3.493 3.941 . 0 0 "[ . 1 . 2 ]" 2 40 1 5 A H2 1 18 G H1' 4.500 . 4.500 4.300 3.648 4.514 0.014 15 0 "[ . 1 . 2 ]" 2 41 1 5 A H2 1 6 G H1' 4.500 . 4.500 3.960 3.609 4.504 0.004 15 0 "[ . 1 . 2 ]" 2 42 1 5 A H8 1 6 G H8 7.500 3.000 7.500 4.917 4.397 5.242 . 0 0 "[ . 1 . 2 ]" 2 43 1 6 G H1' 1 7 C H6 5.500 . 5.500 5.133 4.771 5.510 0.010 21 0 "[ . 1 . 2 ]" 2 44 1 6 G H1' 1 6 G H2' 3.300 . 3.300 2.813 2.776 2.852 . 0 0 "[ . 1 . 2 ]" 2 45 1 6 G H2' 1 7 C H6 3.300 . 3.300 2.684 2.348 3.264 . 0 0 "[ . 1 . 2 ]" 2 46 1 6 G H3' 1 6 G H8 3.300 . 3.300 3.073 2.884 3.294 . 0 0 "[ . 1 . 2 ]" 2 47 1 7 C H1' 1 8 A H8 5.500 . 5.500 5.326 5.015 5.506 0.006 14 0 "[ . 1 . 2 ]" 2 48 1 7 C H1' 1 7 C H2' 3.300 . 3.300 2.796 2.757 2.848 . 0 0 "[ . 1 . 2 ]" 2 49 1 7 C H2' 1 8 A H8 3.300 . 3.300 2.831 2.348 3.302 0.002 9 0 "[ . 1 . 2 ]" 2 50 1 7 C H3' 1 7 C H6 3.300 . 3.300 3.249 3.135 3.313 0.013 21 0 "[ . 1 . 2 ]" 2 51 1 7 C H3' 1 8 A H8 5.500 . 5.500 2.851 2.349 3.609 . 0 0 "[ . 1 . 2 ]" 2 52 1 7 C H5 1 7 C H6 3.300 . 3.300 2.451 2.449 2.452 . 0 0 "[ . 1 . 2 ]" 2 53 1 7 C H6 1 8 A H8 7.500 3.000 7.500 4.753 3.121 5.981 . 0 0 "[ . 1 . 2 ]" 2 54 1 8 A H1' 1 8 A H2' 3.300 . 3.300 2.767 2.742 2.796 . 0 0 "[ . 1 . 2 ]" 2 55 1 8 A H1' 1 9 U H6 5.500 . 5.500 5.225 4.473 5.494 . 0 0 "[ . 1 . 2 ]" 2 56 1 8 A H2' 1 9 U H6 3.300 . 3.300 2.707 2.349 3.207 . 0 0 "[ . 1 . 2 ]" 2 57 1 8 A H2' 1 8 A H3' 3.300 . 3.300 2.353 2.349 2.358 . 0 0 "[ . 1 . 2 ]" 2 58 1 8 A H2' 1 8 A H8 7.500 3.000 7.500 3.841 3.648 4.067 . 0 0 "[ . 1 . 2 ]" 2 59 1 8 A H2' 1 9 U H1' 5.500 . 5.500 4.597 3.542 5.300 . 0 0 "[ . 1 . 2 ]" 2 60 1 8 A H2' 1 9 U H5 7.500 3.000 7.500 4.339 3.545 5.083 . 0 0 "[ . 1 . 2 ]" 2 61 1 8 A H3' 1 8 A H8 3.300 . 3.300 3.087 2.798 3.311 0.011 11 0 "[ . 1 . 2 ]" 2 62 1 8 A H3' 1 9 U H6 5.500 . 5.500 3.649 2.362 4.407 . 0 0 "[ . 1 . 2 ]" 2 63 1 8 A H8 1 9 U H6 5.500 . 5.500 5.135 3.887 5.505 0.005 13 0 "[ . 1 . 2 ]" 2 64 1 8 A H3' 1 9 U H5 5.500 . 5.500 4.512 3.033 5.507 0.007 9 0 "[ . 1 . 2 ]" 2 65 1 9 U H1' 1 9 U H2' 3.300 . 3.300 2.782 2.745 2.987 . 0 0 "[ . 1 . 2 ]" 2 66 1 8 A H2 1 9 U H1' 5.500 . 5.500 4.741 2.924 5.506 0.006 4 0 "[ . 1 . 2 ]" 2 67 1 9 U H1' 1 11 G H8 5.500 . 5.500 3.837 2.722 5.268 . 0 0 "[ . 1 . 2 ]" 2 68 1 9 U H1' 1 12 U H6 5.500 . 5.500 5.415 4.765 5.526 0.026 4 0 "[ . 1 . 2 ]" 2 69 1 9 U H2' 1 11 G H8 3.300 . 3.300 3.240 2.917 3.310 0.010 19 0 "[ . 1 . 2 ]" 2 70 1 9 U H5 1 9 U H6 3.300 . 3.300 2.427 2.425 2.428 . 0 0 "[ . 1 . 2 ]" 2 71 1 9 U H2' 1 9 U H6 5.500 . 5.500 3.916 3.566 3.987 . 0 0 "[ . 1 . 2 ]" 2 72 1 10 C H1' 1 11 G H8 5.500 . 5.500 4.989 4.754 5.451 . 0 0 "[ . 1 . 2 ]" 2 73 1 10 C H1' 1 10 C H2' 3.300 . 3.300 2.790 2.756 2.895 . 0 0 "[ . 1 . 2 ]" 2 74 1 10 C H2' 1 11 G H8 3.300 . 3.300 2.731 2.348 3.176 . 0 0 "[ . 1 . 2 ]" 2 75 1 10 C H5 1 10 C H6 3.300 . 3.300 2.450 2.449 2.452 . 0 0 "[ . 1 . 2 ]" 2 76 1 10 C H5 2 15 C H1' 5.500 . 5.500 3.045 2.395 3.973 . 0 0 "[ . 1 . 2 ]" 2 77 1 10 C H6 2 15 C H1' 7.500 3.000 7.500 4.406 3.874 5.167 . 0 0 "[ . 1 . 2 ]" 2 78 1 10 C H6 2 15 C H2' 7.500 3.000 7.500 5.586 4.884 6.996 . 0 0 "[ . 1 . 2 ]" 2 79 1 10 C H1' 1 10 C H5 7.500 3.000 7.500 5.292 5.260 5.320 . 0 0 "[ . 1 . 2 ]" 2 80 1 11 G H1' 1 11 G H2' 3.300 . 3.300 2.734 2.719 2.753 . 0 0 "[ . 1 . 2 ]" 2 81 1 11 G H2' 1 12 U H6 5.500 . 5.500 2.379 2.347 2.749 . 0 0 "[ . 1 . 2 ]" 2 82 1 11 G H2' 1 11 G H3' 3.300 . 3.300 2.363 2.354 2.367 . 0 0 "[ . 1 . 2 ]" 2 83 1 11 G H3' 1 12 U H5 5.500 . 5.500 3.432 2.791 4.235 . 0 0 "[ . 1 . 2 ]" 2 84 1 11 G H3' 1 11 G H8 3.300 . 3.300 3.269 2.847 3.323 0.023 15 0 "[ . 1 . 2 ]" 2 85 1 11 G H3' 1 12 U H6 5.500 . 5.500 2.829 2.348 3.187 . 0 0 "[ . 1 . 2 ]" 2 86 1 11 G H1' 1 11 G H8 . 3.400 3.800 3.679 3.650 3.781 . 0 0 "[ . 1 . 2 ]" 2 87 1 10 C H6 1 11 G H8 7.500 3.000 7.500 4.037 3.581 5.206 . 0 0 "[ . 1 . 2 ]" 2 88 1 10 C H5 1 11 G H8 7.500 3.000 7.500 4.375 3.776 5.925 . 0 0 "[ . 1 . 2 ]" 2 89 1 12 U H5 1 12 U H6 3.300 . 3.300 2.427 2.425 2.428 . 0 0 "[ . 1 . 2 ]" 2 90 1 9 U H1' 1 12 U H5 5.500 . 5.500 3.301 2.858 4.188 . 0 0 "[ . 1 . 2 ]" 2 91 1 11 G H2' 1 12 U H5 5.500 . 5.500 3.831 3.341 4.322 . 0 0 "[ . 1 . 2 ]" 2 92 1 13 C H1' 2 11 A H2 4.500 . 4.500 4.014 2.715 4.504 0.004 8 0 "[ . 1 . 2 ]" 2 93 1 13 C H1' 1 13 C H2' 3.300 . 3.300 2.807 2.760 2.844 . 0 0 "[ . 1 . 2 ]" 2 94 1 13 C H1' 1 14 G H8 5.500 . 5.500 5.159 4.411 5.507 0.007 21 0 "[ . 1 . 2 ]" 2 95 1 13 C H2' 1 14 G H8 3.300 . 3.300 2.822 2.348 3.284 . 0 0 "[ . 1 . 2 ]" 2 96 1 13 C H5 1 13 C H6 3.300 . 3.300 2.450 2.448 2.451 . 0 0 "[ . 1 . 2 ]" 2 97 1 13 C H5 1 14 G H8 5.500 . 5.500 4.865 4.024 5.500 0.000 14 0 "[ . 1 . 2 ]" 2 98 1 14 G H1' 1 15 G H8 5.500 . 5.500 4.475 3.414 5.514 0.014 16 0 "[ . 1 . 2 ]" 2 99 1 14 G H1' 1 14 G H2' 3.300 . 3.300 2.811 2.748 3.022 . 0 0 "[ . 1 . 2 ]" 2 100 1 14 G H1' 1 15 G H1' 7.500 3.000 7.500 6.763 3.975 7.507 0.007 7 0 "[ . 1 . 2 ]" 2 101 1 15 G H1' 1 16 C H6 5.500 . 5.500 4.426 2.849 5.492 . 0 0 "[ . 1 . 2 ]" 2 102 1 15 G H1' 1 15 G H2' 3.300 . 3.300 2.910 2.727 3.016 . 0 0 "[ . 1 . 2 ]" 2 103 1 15 G H2' 1 16 C H6 3.300 . 3.300 2.857 2.348 3.328 0.028 20 0 "[ . 1 . 2 ]" 2 104 1 15 G H2' 1 15 G H8 5.500 . 5.500 3.504 2.349 4.293 . 0 0 "[ . 1 . 2 ]" 2 105 1 14 G H2' 1 15 G H8 3.300 . 3.300 2.912 2.350 3.321 0.021 15 0 "[ . 1 . 2 ]" 2 106 1 15 G H8 1 16 C H5 7.500 3.000 7.500 5.692 3.830 7.314 . 0 0 "[ . 1 . 2 ]" 2 107 1 16 C H1' 1 16 C H2' 3.300 . 3.300 2.757 2.726 2.842 . 0 0 "[ . 1 . 2 ]" 2 108 1 16 C H1' 1 17 U H6 5.500 . 5.500 5.057 4.726 5.115 . 0 0 "[ . 1 . 2 ]" 2 109 1 16 C H2' 1 17 U H6 3.300 . 3.300 2.348 2.346 2.350 . 0 0 "[ . 1 . 2 ]" 2 110 1 16 C H2' 1 17 U H5 5.500 . 5.500 3.122 2.421 3.368 . 0 0 "[ . 1 . 2 ]" 2 111 1 16 C H5 1 16 C H6 3.300 . 3.300 2.450 2.448 2.453 . 0 0 "[ . 1 . 2 ]" 2 112 1 17 U H5 1 17 U H6 3.300 . 3.300 2.426 2.424 2.428 . 0 0 "[ . 1 . 2 ]" 2 113 1 17 U H1' 1 18 G H8 5.500 . 5.500 5.001 4.749 5.174 . 0 0 "[ . 1 . 2 ]" 2 114 1 17 U H2' 1 18 G H8 3.300 . 3.300 2.353 2.347 2.439 . 0 0 "[ . 1 . 2 ]" 2 115 1 18 G H1' 1 19 C H6 5.500 . 5.500 4.939 4.655 5.078 . 0 0 "[ . 1 . 2 ]" 2 116 1 18 G H1' 1 18 G H2' 3.300 . 3.300 2.767 2.704 2.845 . 0 0 "[ . 1 . 2 ]" 2 117 1 18 G H2' 1 19 C H6 3.300 . 3.300 2.347 2.343 2.349 . 0 0 "[ . 1 . 2 ]" 2 118 1 18 G H2' 1 19 C H5 5.500 . 5.500 3.579 2.784 4.224 . 0 0 "[ . 1 . 2 ]" 2 119 1 18 G H3' 1 18 G H8 3.300 . 3.300 2.966 2.579 3.318 0.018 2 0 "[ . 1 . 2 ]" 2 120 1 18 G H3' 1 19 C H5 5.500 . 5.500 4.020 3.545 4.544 . 0 0 "[ . 1 . 2 ]" 2 121 1 19 C H1' 1 20 U H6 5.500 . 5.500 4.965 4.766 5.117 . 0 0 "[ . 1 . 2 ]" 2 122 1 19 C H1' 1 19 C H2' 3.300 . 3.300 2.774 2.736 2.869 . 0 0 "[ . 1 . 2 ]" 2 123 1 19 C H2' 1 20 U H6 3.300 . 3.300 2.347 2.346 2.348 . 0 0 "[ . 1 . 2 ]" 2 124 1 19 C H5 1 19 C H6 3.300 . 3.300 2.449 2.448 2.451 . 0 0 "[ . 1 . 2 ]" 2 125 1 18 G H8 1 19 C H5 7.500 3.000 7.500 4.930 4.038 5.522 . 0 0 "[ . 1 . 2 ]" 2 126 1 20 U H5 1 20 U H6 3.300 . 3.300 2.425 2.423 2.426 . 0 0 "[ . 1 . 2 ]" 2 127 1 19 C H2' 1 20 U H5 5.500 . 5.500 4.004 3.337 4.429 . 0 0 "[ . 1 . 2 ]" 2 128 1 20 U H1' 1 20 U H2' 3.300 . 3.300 2.818 2.761 2.885 . 0 0 "[ . 1 . 2 ]" 2 129 1 20 U H2' 1 21 C H6 3.300 . 3.300 2.348 2.346 2.349 . 0 0 "[ . 1 . 2 ]" 2 130 1 20 U H6 1 21 C H5 5.500 . 5.500 5.316 4.638 5.505 0.005 16 0 "[ . 1 . 2 ]" 2 131 1 21 C H1' 1 22 A H8 5.500 . 5.500 5.154 4.837 5.377 . 0 0 "[ . 1 . 2 ]" 2 132 1 21 C H1' 1 21 C H2' 3.300 . 3.300 2.851 2.819 2.866 . 0 0 "[ . 1 . 2 ]" 2 133 1 21 C H2' 1 22 A H8 3.300 . 3.300 2.539 2.349 2.768 . 0 0 "[ . 1 . 2 ]" 2 134 1 21 C H3' 1 21 C H6 3.300 . 3.300 3.299 3.229 3.315 0.015 11 0 "[ . 1 . 2 ]" 2 135 1 21 C H3' 1 22 A H8 5.500 . 5.500 4.105 3.844 4.363 . 0 0 "[ . 1 . 2 ]" 2 136 1 21 C H5 1 21 C H6 3.300 . 3.300 2.450 2.448 2.452 . 0 0 "[ . 1 . 2 ]" 2 137 1 20 U H2' 1 21 C H5 5.500 . 5.500 4.029 3.741 4.248 . 0 0 "[ . 1 . 2 ]" 2 138 1 22 A H1' 1 22 A H2 7.500 3.000 7.500 4.530 4.504 4.535 . 0 0 "[ . 1 . 2 ]" 2 139 1 22 A H1' 1 22 A H2' 3.300 . 3.300 2.785 2.764 2.793 . 0 0 "[ . 1 . 2 ]" 2 140 1 1 G H8 1 22 A H2 5.500 . 5.500 5.112 4.339 5.502 0.002 14 0 "[ . 1 . 2 ]" 2 141 1 22 A H2' 1 22 A H3' 3.300 . 3.300 2.347 2.345 2.348 . 0 0 "[ . 1 . 2 ]" 2 142 1 22 A H2' 1 22 A H8 3.300 . 3.300 3.295 3.153 3.308 0.008 7 0 "[ . 1 . 2 ]" 2 143 1 22 A H3' 1 22 A H8 3.300 . 3.300 2.489 2.383 2.542 . 0 0 "[ . 1 . 2 ]" 2 144 1 22 A H4' 1 22 A H8 5.500 . 5.500 4.427 4.355 4.453 . 0 0 "[ . 1 . 2 ]" 2 145 2 1 G H1' 2 2 C H6 5.500 . 5.500 5.041 4.903 5.092 . 0 0 "[ . 1 . 2 ]" 2 146 2 1 G H1' 2 1 G H2' 3.300 . 3.300 2.745 2.724 2.764 . 0 0 "[ . 1 . 2 ]" 2 147 2 1 G H2' 2 2 C H6 3.300 . 3.300 2.351 2.345 2.390 . 0 0 "[ . 1 . 2 ]" 2 148 2 1 G H2' 2 2 C H5 5.500 . 5.500 3.538 2.983 3.827 . 0 0 "[ . 1 . 2 ]" 2 149 2 1 G H1' 2 1 G H4' 5.500 . 5.500 3.431 3.354 3.525 . 0 0 "[ . 1 . 2 ]" 2 150 2 1 G H4' 2 1 G H8 7.500 3.000 7.500 4.373 4.303 4.440 . 0 0 "[ . 1 . 2 ]" 2 151 2 1 G H5'' 2 1 G H8 5.500 . 5.500 4.365 4.191 4.594 . 0 0 "[ . 1 . 2 ]" 2 152 2 1 G H5' 2 1 G H8 5.500 . 5.500 3.608 3.239 3.882 . 0 0 "[ . 1 . 2 ]" 2 153 2 1 G H4' 2 1 G H5'' 3.300 . 3.300 2.454 2.355 2.536 . 0 0 "[ . 1 . 2 ]" 2 154 2 1 G H4' 2 1 G H5' 3.300 . 3.300 2.485 2.403 2.597 . 0 0 "[ . 1 . 2 ]" 2 155 2 1 G H2' 2 1 G H8 5.500 . 5.500 4.151 4.064 4.244 . 0 0 "[ . 1 . 2 ]" 2 156 2 2 C H1' 2 3 G H8 5.500 . 5.500 5.073 5.023 5.095 . 0 0 "[ . 1 . 2 ]" 2 157 2 2 C H1' 2 2 C H2' 3.300 . 3.300 2.742 2.727 2.755 . 0 0 "[ . 1 . 2 ]" 2 158 2 2 C H5 2 2 C H6 3.300 . 3.300 2.450 2.449 2.452 . 0 0 "[ . 1 . 2 ]" 2 159 2 3 G H1' 2 4 G H8 5.500 . 5.500 4.791 4.686 4.867 . 0 0 "[ . 1 . 2 ]" 2 160 2 3 G H1' 2 3 G H2' 3.300 . 3.300 2.729 2.715 2.740 . 0 0 "[ . 1 . 2 ]" 2 161 2 3 G H2' 2 4 G H8 3.300 . 3.300 2.348 2.344 2.349 . 0 0 "[ . 1 . 2 ]" 2 162 2 2 C H2' 2 3 G H8 3.300 . 3.300 2.348 2.346 2.350 . 0 0 "[ . 1 . 2 ]" 2 163 2 4 G H1' 2 5 C H6 5.500 . 5.500 4.903 4.672 5.039 . 0 0 "[ . 1 . 2 ]" 2 164 2 4 G H1' 2 4 G H2' 3.300 . 3.300 2.846 2.833 2.866 . 0 0 "[ . 1 . 2 ]" 2 165 2 4 G H2' 2 5 C H6 3.300 . 3.300 2.347 2.342 2.348 . 0 0 "[ . 1 . 2 ]" 2 166 2 3 G H8 2 4 G H8 5.500 . 5.500 4.715 4.441 4.966 . 0 0 "[ . 1 . 2 ]" 2 167 2 4 G H3' 2 4 G H8 3.300 . 3.300 3.307 3.300 3.317 0.017 10 0 "[ . 1 . 2 ]" 2 168 2 4 G H3' 2 5 C H6 5.500 . 5.500 3.852 3.667 4.022 . 0 0 "[ . 1 . 2 ]" 2 169 2 4 G H8 2 5 C H5 5.500 . 5.500 5.083 4.939 5.268 . 0 0 "[ . 1 . 2 ]" 2 170 2 5 C H1' 2 5 C H2' 3.300 . 3.300 2.763 2.749 2.778 . 0 0 "[ . 1 . 2 ]" 2 171 2 5 C H1' 2 6 A H8 5.500 . 5.500 5.077 4.911 5.186 . 0 0 "[ . 1 . 2 ]" 2 172 2 5 C H2' 2 6 A H8 3.300 . 3.300 2.379 2.348 2.457 . 0 0 "[ . 1 . 2 ]" 2 173 2 5 C H5 2 5 C H6 3.300 . 3.300 2.449 2.447 2.451 . 0 0 "[ . 1 . 2 ]" 2 174 2 4 G H2' 2 5 C H5 3.300 . 3.300 3.171 2.902 3.302 0.002 17 0 "[ . 1 . 2 ]" 2 175 2 5 C H6 2 6 A H8 7.500 3.000 7.500 5.029 4.615 5.235 . 0 0 "[ . 1 . 2 ]" 2 176 2 6 A H1' 2 7 G H8 5.500 . 5.500 4.931 4.740 5.096 . 0 0 "[ . 1 . 2 ]" 2 177 2 6 A H2' 2 7 G H1' 5.500 . 5.500 3.939 3.648 4.388 . 0 0 "[ . 1 . 2 ]" 2 178 2 6 A H1' 2 6 A H2' 3.300 . 3.300 2.771 2.748 2.816 . 0 0 "[ . 1 . 2 ]" 2 179 2 6 A H2 2 17 G H1' 4.500 . 4.500 4.411 4.187 4.522 0.022 11 0 "[ . 1 . 2 ]" 2 180 2 6 A H2 2 17 G H8 5.500 . 5.500 5.420 5.113 5.509 0.009 5 0 "[ . 1 . 2 ]" 2 181 2 6 A H2 2 7 G H1' 4.500 . 4.500 4.126 3.446 4.518 0.018 9 0 "[ . 1 . 2 ]" 2 182 2 6 A H2' 2 7 G H8 3.300 . 3.300 2.348 2.347 2.349 . 0 0 "[ . 1 . 2 ]" 2 183 2 7 G H1' 2 8 U H6 5.500 . 5.500 5.046 4.839 5.174 . 0 0 "[ . 1 . 2 ]" 2 184 2 7 G H1' 2 7 G H2' 3.300 . 3.300 2.820 2.797 2.848 . 0 0 "[ . 1 . 2 ]" 2 185 2 7 G H2' 2 8 U H6 3.300 . 3.300 2.348 2.347 2.349 . 0 0 "[ . 1 . 2 ]" 2 186 2 7 G H8 2 8 U H1' 7.500 3.000 7.500 6.335 5.732 6.901 . 0 0 "[ . 1 . 2 ]" 2 187 2 8 U H6 2 9 U H6 5.500 . 5.500 5.130 3.542 5.498 . 0 0 "[ . 1 . 2 ]" 2 188 2 8 U H1' 2 9 U H6 5.500 . 5.500 5.301 5.101 5.504 0.004 9 0 "[ . 1 . 2 ]" 2 189 2 8 U H1' 2 8 U H2' 3.300 . 3.300 2.816 2.763 2.839 . 0 0 "[ . 1 . 2 ]" 2 190 2 8 U H2' 2 8 U H3' 3.300 . 3.300 2.352 2.348 2.359 . 0 0 "[ . 1 . 2 ]" 2 191 2 8 U H2' 2 8 U H6 5.500 . 5.500 3.816 3.768 3.910 . 0 0 "[ . 1 . 2 ]" 2 192 2 8 U H2' 2 9 U H5 5.500 . 5.500 3.454 2.452 5.246 . 0 0 "[ . 1 . 2 ]" 2 193 2 8 U H2' 2 9 U H6 5.500 . 5.500 2.621 2.350 3.518 . 0 0 "[ . 1 . 2 ]" 2 194 2 8 U H2' 2 8 U H5 7.500 3.000 7.500 5.217 5.176 5.302 . 0 0 "[ . 1 . 2 ]" 2 195 2 8 U H3' 2 8 U H6 3.300 . 3.300 3.240 3.143 3.297 . 0 0 "[ . 1 . 2 ]" 2 196 2 8 U H3' 2 8 U H5 5.500 . 5.500 5.055 4.853 5.145 . 0 0 "[ . 1 . 2 ]" 2 197 2 8 U H3' 2 9 U H5 5.500 . 5.500 3.979 2.672 5.455 . 0 0 "[ . 1 . 2 ]" 2 198 2 8 U H5 2 8 U H6 3.300 . 3.300 2.426 2.425 2.427 . 0 0 "[ . 1 . 2 ]" 2 199 1 11 G H1' 2 14 A H1' 5.500 . 5.500 5.405 5.041 5.509 0.009 8 0 "[ . 1 . 2 ]" 2 200 2 9 U H1' 2 9 U H2' 3.300 . 3.300 2.778 2.755 2.801 . 0 0 "[ . 1 . 2 ]" 2 201 2 9 U H1' 2 12 C H5 5.500 . 5.500 3.044 2.348 3.701 . 0 0 "[ . 1 . 2 ]" 2 202 2 9 U H1' 2 12 C H6 7.500 3.000 7.500 5.257 4.688 5.994 . 0 0 "[ . 1 . 2 ]" 2 203 2 9 U H5 2 9 U H6 3.300 . 3.300 2.427 2.426 2.428 . 0 0 "[ . 1 . 2 ]" 2 204 2 8 U H6 2 9 U H5 5.500 . 5.500 4.243 3.421 5.162 . 0 0 "[ . 1 . 2 ]" 2 205 2 8 U H5 2 9 U H5 5.500 . 5.500 3.961 2.401 4.616 . 0 0 "[ . 1 . 2 ]" 2 206 2 9 U H2' 2 9 U H6 5.500 . 5.500 3.925 3.889 3.952 . 0 0 "[ . 1 . 2 ]" 2 207 2 8 U H3' 2 9 U H6 5.500 . 5.500 3.240 2.784 3.830 . 0 0 "[ . 1 . 2 ]" 2 208 2 8 U H2' 2 14 A H2 5.500 . 5.500 5.515 5.504 5.524 0.024 8 0 "[ . 1 . 2 ]" 2 209 2 8 U H1' 2 14 A H2 7.500 3.000 7.500 5.153 4.614 5.574 . 0 0 "[ . 1 . 2 ]" 2 210 2 10 G H1' 2 11 A H8 5.500 . 5.500 5.104 4.994 5.343 . 0 0 "[ . 1 . 2 ]" 2 211 2 10 G H1' 2 10 G H2' 3.300 . 3.300 2.745 2.719 2.763 . 0 0 "[ . 1 . 2 ]" 2 212 2 10 G H2' 2 10 G H3' 3.300 . 3.300 2.354 2.350 2.357 . 0 0 "[ . 1 . 2 ]" 2 213 2 9 U H1' 2 10 G H2' 7.500 3.000 7.500 6.380 5.640 7.131 . 0 0 "[ . 1 . 2 ]" 2 214 2 9 U H2' 2 10 G H2' 5.500 . 5.500 4.865 4.334 5.249 . 0 0 "[ . 1 . 2 ]" 2 215 2 10 G H2' 2 11 A H8 3.300 . 3.300 2.423 2.348 2.694 . 0 0 "[ . 1 . 2 ]" 2 216 2 10 G H2' 2 11 A H1' 5.500 . 5.500 4.186 3.954 4.393 . 0 0 "[ . 1 . 2 ]" 2 217 2 10 G H4' 2 10 G H8 7.500 3.000 7.500 4.409 4.321 4.473 . 0 0 "[ . 1 . 2 ]" 2 218 2 10 G H1' 2 10 G H4' 5.500 . 5.500 3.431 3.360 3.525 . 0 0 "[ . 1 . 2 ]" 2 219 2 10 G H4' 2 11 A H8 7.500 3.000 7.500 5.115 4.915 5.346 . 0 0 "[ . 1 . 2 ]" 2 220 2 11 A H1' 2 12 C H6 5.500 . 5.500 5.021 4.816 5.102 . 0 0 "[ . 1 . 2 ]" 2 221 2 11 A H1' 2 11 A H2' 3.300 . 3.300 2.749 2.728 2.774 . 0 0 "[ . 1 . 2 ]" 2 222 2 11 A H2' 2 11 A H3' 3.300 . 3.300 2.357 2.352 2.362 . 0 0 "[ . 1 . 2 ]" 2 223 2 11 A H2' 2 12 C H6 3.300 . 3.300 2.351 2.348 2.367 . 0 0 "[ . 1 . 2 ]" 2 224 2 11 A H2' 2 12 C H5 7.500 3.000 7.500 3.944 3.532 4.179 . 0 0 "[ . 1 . 2 ]" 2 225 2 11 A H3' 2 11 A H8 5.500 . 5.500 3.286 3.073 3.423 . 0 0 "[ . 1 . 2 ]" 2 226 2 11 A H3' 2 12 C H6 5.500 . 5.500 3.195 2.856 3.676 . 0 0 "[ . 1 . 2 ]" 2 227 2 11 A H4' 2 11 A H8 5.500 . 5.500 4.357 4.253 4.443 . 0 0 "[ . 1 . 2 ]" 2 228 2 10 G H2' 2 11 A H4' 5.500 . 5.500 5.130 4.767 5.464 . 0 0 "[ . 1 . 2 ]" 2 229 2 11 A H2 2 12 C H1' 4.500 . 4.500 4.007 2.937 4.508 0.008 14 0 "[ . 1 . 2 ]" 2 230 2 11 A H2 2 12 C H6 7.500 3.000 7.500 5.017 4.283 5.617 . 0 0 "[ . 1 . 2 ]" 2 231 2 9 U H1' 2 11 A H8 5.500 . 5.500 4.421 3.662 5.359 . 0 0 "[ . 1 . 2 ]" 2 232 2 9 U H2' 2 11 A H8 3.300 . 3.300 3.255 2.789 3.305 0.005 5 0 "[ . 1 . 2 ]" 2 233 2 10 G H3' 2 11 A H8 3.300 . 3.300 2.532 2.349 2.865 . 0 0 "[ . 1 . 2 ]" 2 234 2 10 G H8 2 11 A H8 5.500 . 5.500 5.480 5.263 5.514 0.014 18 0 "[ . 1 . 2 ]" 2 235 2 11 A H8 2 12 C H5 7.500 3.000 7.500 4.772 3.990 5.401 . 0 0 "[ . 1 . 2 ]" 2 236 2 12 C H1' 2 12 C H2' 3.300 . 3.300 2.830 2.755 2.861 . 0 0 "[ . 1 . 2 ]" 2 237 2 12 C H1' 2 13 U H6 7.500 3.000 7.500 4.604 3.322 6.198 . 0 0 "[ . 1 . 2 ]" 2 238 2 12 C H2' 2 14 A H8 5.500 . 5.500 3.576 2.985 4.417 . 0 0 "[ . 1 . 2 ]" 2 239 2 12 C H2' 2 12 C H6 5.500 . 5.500 3.816 3.705 3.973 . 0 0 "[ . 1 . 2 ]" 2 240 2 12 C H4' 2 13 U H5 7.500 3.000 7.500 4.772 3.003 6.958 . 0 0 "[ . 1 . 2 ]" 2 241 2 12 C H4' 2 13 U H6 7.500 3.000 7.500 4.889 3.832 6.752 . 0 0 "[ . 1 . 2 ]" 2 242 2 12 C H5 2 12 C H6 3.300 . 3.300 2.450 2.448 2.452 . 0 0 "[ . 1 . 2 ]" 2 243 2 12 C H5 2 14 A H2 7.500 3.000 7.500 5.244 4.627 6.171 . 0 0 "[ . 1 . 2 ]" 2 244 2 13 U H1' 2 13 U H2' 3.300 . 3.300 2.955 2.842 3.029 . 0 0 "[ . 1 . 2 ]" 2 245 2 13 U H1' 2 13 U H5'' 5.500 . 5.500 4.757 4.167 5.050 . 0 0 "[ . 1 . 2 ]" 2 246 2 13 U H1' 2 13 U H5' 5.500 . 5.500 4.829 4.177 5.124 . 0 0 "[ . 1 . 2 ]" 2 247 2 13 U H1' 2 14 A H8 7.500 3.000 7.500 5.962 5.026 6.644 . 0 0 "[ . 1 . 2 ]" 2 248 2 13 U H1' 2 13 U H5 5.500 . 5.500 5.314 5.060 5.412 . 0 0 "[ . 1 . 2 ]" 2 249 2 13 U H2' 2 13 U H3' 3.300 . 3.300 2.364 2.327 2.409 . 0 0 "[ . 1 . 2 ]" 2 250 2 13 U H2' 2 13 U H6 3.300 . 3.300 3.161 2.348 3.366 0.066 10 0 "[ . 1 . 2 ]" 2 251 2 13 U H2' 2 14 A H8 5.500 . 5.500 3.939 2.349 5.358 . 0 0 "[ . 1 . 2 ]" 2 252 2 13 U H3' 2 14 A H8 3.300 . 3.300 2.454 2.347 3.119 . 0 0 "[ . 1 . 2 ]" 2 253 2 13 U H3' 2 14 A H1' 5.500 . 5.500 5.207 4.276 5.523 0.023 4 0 "[ . 1 . 2 ]" 2 254 2 12 C H2' 2 13 U H3' 7.500 3.000 7.500 4.895 4.170 5.454 . 0 0 "[ . 1 . 2 ]" 2 255 2 13 U H4' 2 14 A H8 7.500 3.000 7.500 4.782 4.188 5.265 . 0 0 "[ . 1 . 2 ]" 2 256 2 13 U H3' 2 13 U H4' 5.500 . 5.500 2.925 2.719 3.049 . 0 0 "[ . 1 . 2 ]" 2 257 2 13 U H4' 2 13 U H5'' 3.300 . 3.300 2.785 2.352 3.050 . 0 0 "[ . 1 . 2 ]" 2 258 2 13 U H4' 2 13 U H5' 3.300 . 3.300 2.490 2.382 3.022 . 0 0 "[ . 1 . 2 ]" 2 259 2 13 U H4' 2 13 U H6 7.500 3.000 7.500 4.480 3.939 5.685 . 0 0 "[ . 1 . 2 ]" 2 260 2 13 U H5 2 13 U H6 3.300 . 3.300 2.423 2.409 2.428 . 0 0 "[ . 1 . 2 ]" 2 261 2 13 U H2' 2 13 U H5 5.500 . 5.500 4.801 4.372 4.941 . 0 0 "[ . 1 . 2 ]" 2 262 2 12 C H1' 2 13 U H5 5.500 . 5.500 4.164 2.581 5.398 . 0 0 "[ . 1 . 2 ]" 2 263 2 13 U H3' 2 13 U H6 5.500 . 5.500 3.862 2.790 4.737 . 0 0 "[ . 1 . 2 ]" 2 264 2 13 U H6 2 14 A H8 5.500 . 5.500 4.903 3.841 5.504 0.004 4 0 "[ . 1 . 2 ]" 2 265 2 14 A H1' 2 15 C H6 5.500 . 5.500 4.803 4.280 5.055 . 0 0 "[ . 1 . 2 ]" 2 266 2 14 A H1' 2 14 A H2' 3.300 . 3.300 2.796 2.737 2.939 . 0 0 "[ . 1 . 2 ]" 2 267 2 14 A H2 2 15 C H1' 4.500 3.000 4.500 4.143 3.290 4.506 0.006 11 0 "[ . 1 . 2 ]" 2 268 2 14 A H2' 2 15 C H5 5.500 . 5.500 3.104 2.646 3.507 . 0 0 "[ . 1 . 2 ]" 2 269 2 14 A H2' 2 15 C H6 3.300 . 3.300 2.377 2.347 2.847 . 0 0 "[ . 1 . 2 ]" 2 270 2 13 U H5'' 2 14 A H8 5.500 . 5.500 3.213 2.348 5.508 0.008 18 0 "[ . 1 . 2 ]" 2 271 2 13 U H5' 2 14 A H8 5.500 . 5.500 3.808 2.356 5.305 . 0 0 "[ . 1 . 2 ]" 2 272 2 9 U H1' 2 14 A H2 7.500 3.000 7.500 6.212 5.039 7.503 0.003 4 0 "[ . 1 . 2 ]" 2 273 2 14 A H1' 2 14 A H4' 7.500 3.000 7.500 3.301 3.044 3.841 . 0 0 "[ . 1 . 2 ]" 2 274 2 14 A H4' 2 14 A H8 7.500 3.000 7.500 4.447 4.207 4.571 . 0 0 "[ . 1 . 2 ]" 2 275 2 14 A H4' 2 15 C H6 7.500 3.000 7.500 5.154 4.923 5.406 . 0 0 "[ . 1 . 2 ]" 2 276 2 14 A H4' 2 15 C H5 7.500 3.000 7.500 6.116 5.189 6.482 . 0 0 "[ . 1 . 2 ]" 2 277 2 15 C H1' 2 16 U H6 5.500 . 5.500 5.039 4.890 5.086 . 0 0 "[ . 1 . 2 ]" 2 278 2 15 C H1' 2 15 C H2' 3.300 . 3.300 2.719 2.707 2.740 . 0 0 "[ . 1 . 2 ]" 2 279 2 14 A H2' 2 15 C H1' 5.500 . 5.500 4.495 4.146 4.914 . 0 0 "[ . 1 . 2 ]" 2 280 2 15 C H2' 2 16 U H6 3.300 . 3.300 2.349 2.345 2.365 . 0 0 "[ . 1 . 2 ]" 2 281 1 10 C H5 2 15 C H4' 7.500 3.000 7.500 5.068 3.593 6.707 . 0 0 "[ . 1 . 2 ]" 2 282 1 10 C H6 2 15 C H4' 7.500 3.000 7.500 4.880 3.337 6.784 . 0 0 "[ . 1 . 2 ]" 2 283 1 10 C H1' 2 15 C H4' 5.500 . 5.500 3.776 2.687 5.502 0.002 9 0 "[ . 1 . 2 ]" 2 284 2 14 A H2' 2 15 C H4' 7.500 3.000 7.500 5.241 4.879 6.034 . 0 0 "[ . 1 . 2 ]" 2 285 2 15 C H5 2 15 C H6 3.300 . 3.300 2.450 2.449 2.451 . 0 0 "[ . 1 . 2 ]" 2 286 2 16 U H1' 2 16 U H2' 3.300 . 3.300 2.763 2.735 2.831 . 0 0 "[ . 1 . 2 ]" 2 287 2 16 U H1' 2 17 G H8 5.500 . 5.500 5.097 4.999 5.312 . 0 0 "[ . 1 . 2 ]" 2 288 2 16 U H2' 2 17 G H8 3.300 . 3.300 2.358 2.347 2.553 . 0 0 "[ . 1 . 2 ]" 2 289 2 16 U H5 2 16 U H6 3.300 . 3.300 2.427 2.425 2.428 . 0 0 "[ . 1 . 2 ]" 2 290 2 15 C H2' 2 16 U H5 5.500 . 5.500 3.833 3.328 4.255 . 0 0 "[ . 1 . 2 ]" 2 291 2 17 G H1' 2 18 U H6 5.500 . 5.500 4.754 4.641 4.954 . 0 0 "[ . 1 . 2 ]" 2 292 2 17 G H1' 2 17 G H2' 3.300 . 3.300 2.734 2.718 2.749 . 0 0 "[ . 1 . 2 ]" 2 293 2 17 G H2' 2 18 U H6 3.300 . 3.300 2.348 2.346 2.349 . 0 0 "[ . 1 . 2 ]" 2 294 2 18 U H1' 2 18 U H2' 3.300 . 3.300 2.859 2.806 2.883 . 0 0 "[ . 1 . 2 ]" 2 295 2 18 U H1' 2 19 C H6 5.500 . 5.500 4.180 3.935 4.581 . 0 0 "[ . 1 . 2 ]" 2 296 2 18 U H2' 2 19 C H6 5.500 . 5.500 2.347 2.341 2.349 . 0 0 "[ . 1 . 2 ]" 2 297 2 18 U H2' 2 19 C H5 5.500 . 5.500 2.467 2.348 2.911 . 0 0 "[ . 1 . 2 ]" 2 298 2 18 U H5 2 18 U H6 3.300 . 3.300 2.428 2.426 2.429 . 0 0 "[ . 1 . 2 ]" 2 299 2 17 G H2' 2 18 U H5 5.500 . 5.500 4.423 4.328 4.488 . 0 0 "[ . 1 . 2 ]" 2 300 2 19 C H1' 2 20 G H8 5.500 . 5.500 4.961 4.852 5.062 . 0 0 "[ . 1 . 2 ]" 2 301 2 19 C H5 2 19 C H6 3.300 . 3.300 2.452 2.450 2.453 . 0 0 "[ . 1 . 2 ]" 2 302 2 19 C H6 2 20 G H8 7.500 3.000 7.500 5.087 4.737 5.513 . 0 0 "[ . 1 . 2 ]" 2 303 2 20 G H1' 2 20 G H2' 3.300 . 3.300 2.818 2.782 2.855 . 0 0 "[ . 1 . 2 ]" 2 304 2 20 G H2' 2 21 C H6 5.500 . 5.500 2.348 2.347 2.350 . 0 0 "[ . 1 . 2 ]" 2 305 2 20 G H2' 2 21 C H5 7.500 3.000 7.500 4.056 3.752 4.211 . 0 0 "[ . 1 . 2 ]" 2 306 2 21 C H1' 2 21 C H2' 3.300 . 3.300 2.828 2.780 2.847 . 0 0 "[ . 1 . 2 ]" 2 307 2 21 C H3' 2 21 C H5 5.500 . 5.500 5.084 4.804 5.172 . 0 0 "[ . 1 . 2 ]" 2 308 2 21 C H3' 2 21 C H6 3.300 . 3.300 3.223 3.008 3.291 . 0 0 "[ . 1 . 2 ]" 2 309 2 21 C H2' 2 21 C H3' 3.300 . 3.300 2.346 2.345 2.347 . 0 0 "[ . 1 . 2 ]" 2 310 2 21 C H2' 2 21 C H6 5.500 . 5.500 3.804 3.755 3.837 . 0 0 "[ . 1 . 2 ]" 2 311 2 21 C H4' 2 21 C H6 5.500 . 5.502 4.228 4.106 4.252 . 0 0 "[ . 1 . 2 ]" 2 312 2 21 C H5 2 21 C H6 3.300 . 3.300 2.450 2.448 2.452 . 0 0 "[ . 1 . 2 ]" 2 313 2 21 C H2' 2 21 C H5 5.500 . 5.500 5.204 5.164 5.241 . 0 0 "[ . 1 . 2 ]" 2 314 1 1 G H1 1 21 C H42 5.500 . 5.500 4.028 3.947 4.094 . 0 0 "[ . 1 . 2 ]" 2 315 1 1 G H1 1 21 C H41 5.500 . 5.500 2.727 2.633 2.767 . 0 0 "[ . 1 . 2 ]" 2 316 1 1 G H1 1 21 C H5 7.500 3.000 7.500 4.892 4.845 4.975 . 0 0 "[ . 1 . 2 ]" 2 317 1 1 G Q2 1 2 A H1' 4.500 . 4.500 3.006 2.213 3.948 . 0 0 "[ . 1 . 2 ]" 2 318 1 1 G Q2 1 22 A H1' 4.500 . 4.500 3.839 3.393 4.011 . 0 0 "[ . 1 . 2 ]" 2 319 1 1 G Q2 1 2 A H2 5.500 . 5.500 3.517 2.725 4.345 . 0 0 "[ . 1 . 2 ]" 2 320 1 1 G H1 1 22 A H2 5.500 . 5.500 4.306 3.193 4.909 . 0 0 "[ . 1 . 2 ]" 2 321 1 3 G H1 1 19 C H42 5.500 . 5.500 3.915 3.832 4.067 . 0 0 "[ . 1 . 2 ]" 2 322 1 3 G H1 1 19 C H41 5.500 . 5.500 2.473 2.309 2.714 . 0 0 "[ . 1 . 2 ]" 2 323 1 3 G H1 1 4 C H42 5.500 . 5.500 5.334 4.472 5.504 0.004 1 0 "[ . 1 . 2 ]" 2 324 1 3 G Q2 1 20 U H1' 4.500 . 4.500 3.218 2.067 4.013 . 0 0 "[ . 1 . 2 ]" 2 325 1 3 G Q2 1 4 C H1' 4.500 . 4.500 3.790 3.234 4.024 . 0 0 "[ . 1 . 2 ]" 2 326 1 3 G H1 1 19 C H5 7.500 3.000 7.500 4.929 4.894 4.980 . 0 0 "[ . 1 . 2 ]" 2 327 1 2 A H2 1 3 G H1 7.500 3.000 7.500 5.920 4.453 7.025 . 0 0 "[ . 1 . 2 ]" 2 328 1 3 G H1 1 18 G H1 7.500 3.000 7.500 4.737 3.786 6.008 . 0 0 "[ . 1 . 2 ]" 2 329 1 3 G H1 1 4 C H41 7.500 3.000 7.500 5.084 4.354 5.369 . 0 0 "[ . 1 . 2 ]" 2 330 1 3 G H1 1 20 U H5 7.500 3.000 7.500 5.548 4.283 6.416 . 0 0 "[ . 1 . 2 ]" 2 331 1 6 G H1 1 16 C H5 7.500 3.000 7.500 4.943 4.881 4.989 . 0 0 "[ . 1 . 2 ]" 2 332 1 6 G H1 1 17 U H5 7.500 3.000 7.500 5.527 4.140 6.424 . 0 0 "[ . 1 . 2 ]" 2 333 1 6 G H1 1 16 C H41 5.500 . 5.500 2.340 2.270 2.480 . 0 0 "[ . 1 . 2 ]" 2 334 1 6 G H1 1 16 C H42 5.500 . 5.500 3.855 3.808 3.891 . 0 0 "[ . 1 . 2 ]" 2 335 1 5 A H2 1 6 G Q2 5.500 . 5.500 4.907 4.900 4.914 . 0 0 "[ . 1 . 2 ]" 2 336 1 6 G Q2 1 17 U H1' 4.500 . 4.500 3.217 2.544 3.996 . 0 0 "[ . 1 . 2 ]" 2 337 1 6 G Q2 1 7 C H1' 4.500 . 4.500 3.889 3.251 4.025 . 0 0 "[ . 1 . 2 ]" 2 338 1 6 G H1 1 17 U H3 7.500 3.000 7.500 4.745 4.020 5.414 . 0 0 "[ . 1 . 2 ]" 2 339 1 6 G H1 1 7 C H41 7.500 3.000 7.500 5.417 4.074 7.021 . 0 0 "[ . 1 . 2 ]" 2 340 1 6 G H1 1 7 C H42 7.500 3.000 7.500 5.617 4.134 7.026 . 0 0 "[ . 1 . 2 ]" 2 341 1 10 C Q4 1 10 C H5 3.300 . 3.300 2.378 2.376 2.381 . 0 0 "[ . 1 . 2 ]" 2 342 1 11 G Q2 1 12 U H1' 4.500 . 4.500 3.579 2.565 4.016 . 0 0 "[ . 1 . 2 ]" 2 343 1 12 U H3 1 13 C H41 7.500 3.000 7.500 5.402 4.984 5.774 . 0 0 "[ . 1 . 2 ]" 2 344 1 12 U H3 1 13 C H42 7.500 3.000 7.500 5.200 4.646 5.669 . 0 0 "[ . 1 . 2 ]" 2 345 1 12 U H3 1 13 C H5 7.500 3.000 7.500 4.861 4.304 5.398 . 0 0 "[ . 1 . 2 ]" 2 346 1 11 G H1 1 12 U H3 7.500 3.000 7.500 4.171 3.733 4.685 . 0 0 "[ . 1 . 2 ]" 2 347 1 12 U H3 1 13 C H1' 7.500 3.000 7.500 5.592 4.163 6.846 . 0 0 "[ . 1 . 2 ]" 2 348 1 4 C H41 1 17 U H3 7.500 3.000 7.500 4.874 4.055 5.825 . 0 0 "[ . 1 . 2 ]" 2 349 1 16 C H41 1 17 U H3 7.500 3.000 7.500 5.390 4.877 6.886 . 0 0 "[ . 1 . 2 ]" 2 350 1 5 A H2 1 17 U H3 3.300 . 3.300 2.683 2.603 2.880 . 0 0 "[ . 1 . 2 ]" 2 351 1 17 U H1' 1 17 U H3 7.500 3.000 7.500 4.627 4.614 4.634 . 0 0 "[ . 1 . 2 ]" 2 352 1 17 U H3 1 17 U H5 7.500 3.000 7.500 4.214 4.209 4.216 . 0 0 "[ . 1 . 2 ]" 2 353 1 17 U H3 1 18 G H1' 7.500 3.000 7.500 5.693 4.822 6.517 . 0 0 "[ . 1 . 2 ]" 2 354 1 17 U H3 1 18 G H1 7.500 3.000 7.500 4.536 3.609 5.570 . 0 0 "[ . 1 . 2 ]" 2 355 1 4 C H41 1 18 G H1 5.500 . 5.500 2.456 2.221 2.657 . 0 0 "[ . 1 . 2 ]" 2 356 1 4 C H42 1 18 G H1 5.500 . 5.500 3.931 3.781 4.062 . 0 0 "[ . 1 . 2 ]" 2 357 1 18 G Q2 1 19 C H1' 4.500 . 4.500 3.991 3.503 4.021 . 0 0 "[ . 1 . 2 ]" 2 358 1 5 A H1' 1 18 G Q2 4.500 . 4.500 3.299 2.483 4.016 . 0 0 "[ . 1 . 2 ]" 2 359 1 18 G H1 1 19 C H41 7.500 3.000 7.500 5.345 4.488 5.979 . 0 0 "[ . 1 . 2 ]" 2 360 1 18 G H1 1 19 C H42 7.500 3.000 7.500 5.729 4.985 6.332 . 0 0 "[ . 1 . 2 ]" 2 361 1 4 C H5 1 18 G H1 7.500 3.000 7.500 4.965 4.857 5.041 . 0 0 "[ . 1 . 2 ]" 2 362 1 5 A H2 1 18 G H1 7.500 3.000 7.500 4.259 3.487 4.918 . 0 0 "[ . 1 . 2 ]" 2 363 1 19 C H41 1 20 U H5 7.500 3.000 7.500 5.048 4.045 6.300 . 0 0 "[ . 1 . 2 ]" 2 364 1 19 C H42 1 20 U H5 7.500 3.000 7.500 5.040 3.790 6.684 . 0 0 "[ . 1 . 2 ]" 2 365 1 4 C H41 1 19 C H41 7.500 3.000 7.500 4.994 3.757 5.763 . 0 0 "[ . 1 . 2 ]" 2 366 1 2 A H2 1 20 U H3 3.300 . 3.300 2.829 2.686 2.915 . 0 0 "[ . 1 . 2 ]" 2 367 1 20 U H3 1 21 C H42 7.500 3.000 7.500 5.407 5.052 5.727 . 0 0 "[ . 1 . 2 ]" 2 368 1 20 U H3 1 21 C H41 7.500 3.000 7.500 5.651 5.219 6.054 . 0 0 "[ . 1 . 2 ]" 2 369 1 19 C H42 1 20 U H3 7.500 3.000 7.500 6.100 4.728 7.506 0.006 4 0 "[ . 1 . 2 ]" 2 370 1 3 G H1 1 20 U H3 7.500 3.000 7.500 4.741 3.711 6.087 . 0 0 "[ . 1 . 2 ]" 2 371 1 19 C H41 1 20 U H3 7.500 3.000 7.500 4.935 3.528 6.221 . 0 0 "[ . 1 . 2 ]" 2 372 1 1 G H1 1 20 U H3 7.500 3.000 7.500 4.736 4.073 5.476 . 0 0 "[ . 1 . 2 ]" 2 373 1 20 U H3 1 21 C H1' 5.500 . 5.500 5.177 4.609 5.512 0.012 14 0 "[ . 1 . 2 ]" 2 374 1 20 U H3 1 21 C H5 5.500 . 5.500 4.787 4.505 5.061 . 0 0 "[ . 1 . 2 ]" 2 375 1 20 U H3 1 21 C H6 7.500 3.000 7.500 4.846 4.387 5.133 . 0 0 "[ . 1 . 2 ]" 2 376 1 20 U H5 1 21 C H41 7.500 3.000 7.500 7.080 6.207 7.491 . 0 0 "[ . 1 . 2 ]" 2 377 1 20 U H5 1 21 C H42 7.500 3.000 7.500 5.845 4.880 6.204 . 0 0 "[ . 1 . 2 ]" 2 378 1 21 C H41 1 22 A Q6 7.500 3.000 7.500 3.092 2.686 3.661 0.314 1 0 "[ . 1 . 2 ]" 2 379 1 21 C H42 1 22 A Q6 7.500 3.000 7.500 3.905 3.307 4.438 . 0 0 "[ . 1 . 2 ]" 2 380 2 3 G H1 2 19 C H42 5.500 . 5.500 3.851 3.807 3.891 . 0 0 "[ . 1 . 2 ]" 2 381 2 3 G H1 2 19 C H41 5.500 . 5.500 2.407 2.328 2.508 . 0 0 "[ . 1 . 2 ]" 2 382 2 3 G H1 2 19 C H5 5.500 . 5.500 4.879 4.811 4.941 . 0 0 "[ . 1 . 2 ]" 2 383 2 3 G Q2 2 4 G H1' 4.500 . 4.500 3.995 3.868 4.016 . 0 0 "[ . 1 . 2 ]" 2 384 2 3 G Q2 2 20 G H1' 4.500 . 4.500 3.396 2.961 4.010 . 0 0 "[ . 1 . 2 ]" 2 385 2 3 G H1 2 4 G H1 7.500 3.000 7.500 4.598 4.237 5.099 . 0 0 "[ . 1 . 2 ]" 2 386 2 3 G H1 2 20 G H1 7.500 3.000 7.500 3.550 3.357 3.910 . 0 0 "[ . 1 . 2 ]" 2 387 2 3 G H1 2 18 U H3 7.500 3.000 7.500 5.375 5.049 5.786 . 0 0 "[ . 1 . 2 ]" 2 388 2 4 G H1 2 5 C H42 7.500 3.000 7.500 6.252 6.039 6.422 . 0 0 "[ . 1 . 2 ]" 2 389 2 4 G H1 2 5 C H41 7.500 3.000 7.500 6.019 5.808 6.362 . 0 0 "[ . 1 . 2 ]" 2 390 2 4 G H1 2 19 C H41 7.500 3.000 7.500 4.633 4.252 5.447 . 0 0 "[ . 1 . 2 ]" 2 391 2 4 G H1 2 19 C H42 7.500 3.000 7.500 4.186 3.749 5.209 . 0 0 "[ . 1 . 2 ]" 2 392 2 4 G H1 2 19 C H5 7.500 3.000 7.500 3.516 3.157 4.490 . 0 0 "[ . 1 . 2 ]" 2 393 2 4 G H1 2 4 G Q2 3.300 . 3.300 2.191 2.189 2.195 . 0 0 "[ . 1 . 2 ]" 2 394 2 4 G H1 2 18 U H1' 5.500 . 5.500 4.262 4.101 4.352 . 0 0 "[ . 1 . 2 ]" 2 395 2 4 G Q2 2 19 C H1' 4.600 . 4.600 3.660 3.463 3.933 . 0 0 "[ . 1 . 2 ]" 2 396 2 4 G Q2 2 19 C H6 7.500 3.000 7.500 3.835 3.593 4.512 . 0 0 "[ . 1 . 2 ]" 2 397 2 4 G Q2 2 5 C H1' 4.600 . 4.600 4.099 4.079 4.107 . 0 0 "[ . 1 . 2 ]" 2 398 2 4 G Q2 2 18 U H1' 4.600 . 4.600 3.990 3.895 4.072 . 0 0 "[ . 1 . 2 ]" 2 399 2 7 G H1 2 15 C H42 5.500 . 5.500 3.850 3.743 3.925 . 0 0 "[ . 1 . 2 ]" 2 400 2 7 G H1 2 15 C H41 5.500 . 5.500 2.357 2.287 2.512 . 0 0 "[ . 1 . 2 ]" 2 401 2 7 G H1 2 15 C H5 7.500 3.000 7.500 4.926 4.779 4.982 . 0 0 "[ . 1 . 2 ]" 2 402 2 7 G Q2 2 16 U H1' 4.500 . 4.500 3.051 2.167 4.010 . 0 0 "[ . 1 . 2 ]" 2 403 2 7 G H1 2 16 U H3 5.500 . 5.500 5.090 3.741 5.485 . 0 0 "[ . 1 . 2 ]" 2 404 2 7 G H1 2 15 C H2' 5.500 . 5.500 5.038 4.696 5.434 . 0 0 "[ . 1 . 2 ]" 2 405 2 7 G H1 2 16 U H5 5.500 . 5.500 5.275 4.684 5.500 0.000 11 0 "[ . 1 . 2 ]" 2 406 2 10 G Q2 2 11 A H1' 4.500 . 4.500 3.611 3.000 3.992 . 0 0 "[ . 1 . 2 ]" 2 407 2 10 G Q2 2 11 A H2 5.500 . 5.500 4.680 4.040 4.912 . 0 0 "[ . 1 . 2 ]" 2 408 2 12 C H42 2 14 A H2 5.500 . 5.500 3.812 3.146 4.661 . 0 0 "[ . 1 . 2 ]" 2 409 2 12 C H41 2 14 A H2 5.500 . 5.500 2.979 1.988 4.074 . 0 0 "[ . 1 . 2 ]" 2 410 2 16 U H1' 2 16 U H3 7.500 3.000 7.500 4.628 4.608 4.631 . 0 0 "[ . 1 . 2 ]" 2 411 2 16 U H3 2 17 G H8 7.500 3.000 7.500 5.343 5.196 5.525 . 0 0 "[ . 1 . 2 ]" 2 412 2 6 A H2 2 16 U H3 3.300 . 3.300 2.808 2.645 2.958 . 0 0 "[ . 1 . 2 ]" 2 413 2 16 U H3 2 17 G H1 7.500 3.000 7.500 4.273 4.055 4.782 . 0 0 "[ . 1 . 2 ]" 2 414 2 5 C H41 2 17 G H1 5.500 . 5.500 2.460 2.331 2.525 . 0 0 "[ . 1 . 2 ]" 2 415 2 5 C H42 2 17 G H1 5.500 . 5.500 3.893 3.865 3.918 . 0 0 "[ . 1 . 2 ]" 2 416 2 5 C H5 2 17 G H1 5.500 . 5.500 4.906 4.891 4.956 . 0 0 "[ . 1 . 2 ]" 2 417 2 17 G Q2 2 18 U H1' 4.500 . 4.500 3.994 3.886 4.024 . 0 0 "[ . 1 . 2 ]" 2 418 2 6 A H1' 2 17 G Q2 4.500 . 4.500 3.600 3.067 4.009 . 0 0 "[ . 1 . 2 ]" 2 419 2 6 A H2 2 17 G H1 7.500 3.000 7.500 3.733 3.342 4.195 . 0 0 "[ . 1 . 2 ]" 2 420 2 17 G H1 2 18 U H3 7.500 3.000 7.500 5.101 4.811 5.724 . 0 0 "[ . 1 . 2 ]" 2 421 2 4 G H1 2 17 G H1 7.500 3.000 7.500 5.082 4.699 5.816 . 0 0 "[ . 1 . 2 ]" 2 422 2 18 U H3 2 19 C H41 7.500 3.000 7.500 4.223 4.071 4.843 . 0 0 "[ . 1 . 2 ]" 2 423 2 18 U H3 2 19 C H5 7.500 3.000 7.500 3.214 2.998 3.806 0.002 8 0 "[ . 1 . 2 ]" 2 424 2 18 U H1' 2 18 U H3 7.500 3.000 7.500 4.636 4.614 4.657 . 0 0 "[ . 1 . 2 ]" 2 425 2 18 U H3 2 19 C H42 7.500 3.000 7.500 3.123 2.990 3.919 0.010 3 0 "[ . 1 . 2 ]" 2 426 2 5 C H42 2 18 U H3 7.500 3.000 7.500 5.858 5.432 6.104 . 0 0 "[ . 1 . 2 ]" 2 427 2 4 G H1 2 18 U H3 3.300 . 3.300 2.556 2.349 2.901 . 0 0 "[ . 1 . 2 ]" 2 428 2 4 G Q2 2 18 U H3 5.500 . 5.500 4.477 4.271 4.826 . 0 0 "[ . 1 . 2 ]" 2 429 2 5 C H41 2 18 U H3 7.500 3.000 7.500 5.479 5.067 5.832 . 0 0 "[ . 1 . 2 ]" 2 430 2 2 C H42 2 20 G H1 5.500 . 5.500 3.833 3.761 3.944 . 0 0 "[ . 1 . 2 ]" 2 431 2 2 C H41 2 20 G H1 5.500 . 5.500 2.327 2.214 2.486 . 0 0 "[ . 1 . 2 ]" 2 432 2 20 G Q2 2 21 C H1' 4.500 . 4.500 4.016 3.983 4.025 . 0 0 "[ . 1 . 2 ]" 2 433 2 3 G H1' 2 20 G Q2 4.500 . 4.500 3.889 3.410 4.019 . 0 0 "[ . 1 . 2 ]" 2 434 2 2 C H5 2 20 G H1 7.500 3.000 7.500 4.934 4.887 4.998 . 0 0 "[ . 1 . 2 ]" 2 435 1 10 C Q4 2 15 C H1' 3.300 . 3.300 2.693 2.178 2.947 . 0 0 "[ . 1 . 2 ]" 2 436 1 10 C Q4 2 14 A H2 3.300 . 3.300 2.856 2.218 2.946 . 0 0 "[ . 1 . 2 ]" 2 437 1 10 C Q4 2 14 A H1' 4.500 . 4.500 3.147 2.379 4.010 . 0 0 "[ . 1 . 2 ]" 2 438 1 11 G H1 2 12 C H41 5.500 . 5.500 2.430 2.195 2.669 . 0 0 "[ . 1 . 2 ]" 2 439 1 11 G H1 2 12 C H42 5.500 . 5.500 3.881 3.754 4.017 . 0 0 "[ . 1 . 2 ]" 2 440 1 11 G H1 2 12 C H5 7.500 3.000 7.500 4.916 4.886 5.039 . 0 0 "[ . 1 . 2 ]" 2 441 1 11 G H1 2 14 A H2 5.500 . 5.500 3.943 3.014 4.710 . 0 0 "[ . 1 . 2 ]" 2 442 1 11 G Q2 2 14 A H1' 5.500 . 5.500 2.492 2.098 3.292 . 0 0 "[ . 1 . 2 ]" 2 443 1 11 G Q2 2 15 C H1' 7.500 3.000 7.500 6.630 5.966 6.697 . 0 0 "[ . 1 . 2 ]" 2 444 1 11 G H1 2 11 A H2 5.500 . 5.500 5.341 4.819 5.513 0.013 11 0 "[ . 1 . 2 ]" 2 445 1 12 U H3 2 10 G H1 7.500 3.000 7.500 5.077 4.220 5.764 . 0 0 "[ . 1 . 2 ]" 2 446 1 12 U H3 2 12 C H41 7.500 3.000 7.500 5.002 4.034 5.920 . 0 0 "[ . 1 . 2 ]" 2 447 1 12 U H3 2 12 C H1' 7.500 3.000 7.500 5.826 5.069 6.402 . 0 0 "[ . 1 . 2 ]" 2 448 1 12 U H3 2 11 A H2 3.300 . 3.300 2.798 2.674 2.928 . 0 0 "[ . 1 . 2 ]" 2 449 1 13 C H41 2 10 G H1 5.500 . 5.500 2.442 2.148 2.682 . 0 0 "[ . 1 . 2 ]" 2 450 1 13 C H42 2 10 G H1 5.500 . 5.500 3.883 3.714 4.036 . 0 0 "[ . 1 . 2 ]" 2 451 1 14 G H1' 2 10 G Q2 3.300 . 3.300 2.771 2.087 2.948 . 0 0 "[ . 1 . 2 ]" 2 452 1 13 C H5 2 10 G H1 7.500 3.000 7.500 4.907 4.878 4.940 . 0 0 "[ . 1 . 2 ]" 2 453 1 14 G H8 2 10 G H1 5.500 . 5.500 5.030 4.293 5.492 . 0 0 "[ . 1 . 2 ]" 2 454 2 9 U H1' 2 12 C H41 5.500 . 5.500 4.385 3.624 5.048 . 0 0 "[ . 1 . 2 ]" 2 455 2 9 U H1' 2 12 C H42 3.300 . 3.300 2.788 1.935 3.304 0.004 19 0 "[ . 1 . 2 ]" 2 456 1 13 C H41 2 11 A H2 7.500 3.000 7.500 6.503 5.595 7.127 . 0 0 "[ . 1 . 2 ]" 2 457 1 13 C H42 2 11 A H2 7.500 3.000 7.500 6.747 5.765 7.420 . 0 0 "[ . 1 . 2 ]" 2 458 1 10 C H5 2 14 A H2 5.500 . 5.500 4.924 4.143 5.502 0.002 10 0 "[ . 1 . 2 ]" 2 459 1 2 A P 1 20 U P 22.000 18.000 40.000 18.525 17.996 19.249 0.004 1 0 "[ . 1 . 2 ]" 2 460 1 3 G P 1 19 C P 22.000 18.000 40.000 18.118 17.991 18.672 0.009 17 0 "[ . 1 . 2 ]" 2 461 1 4 C P 1 18 G P 22.000 18.000 40.000 18.892 18.199 19.851 . 0 0 "[ . 1 . 2 ]" 2 462 1 5 A P 1 17 U P 22.000 18.000 40.000 18.158 17.997 18.673 0.003 1 0 "[ . 1 . 2 ]" 2 463 1 6 G P 1 16 C P 22.000 18.000 40.000 18.192 17.991 18.969 0.009 17 0 "[ . 1 . 2 ]" 2 464 2 2 C P 2 20 G P 22.000 18.000 40.000 18.413 17.999 18.802 0.001 1 0 "[ . 1 . 2 ]" 2 465 2 3 G P 2 19 C P 22.000 18.000 40.000 18.342 18.010 18.558 . 0 0 "[ . 1 . 2 ]" 2 466 2 4 G P 2 18 U P 22.000 18.000 40.000 19.654 19.268 19.951 . 0 0 "[ . 1 . 2 ]" 2 467 2 5 C P 2 17 G P 22.000 18.000 40.000 18.006 17.991 18.056 0.009 13 0 "[ . 1 . 2 ]" 2 468 2 6 A P 2 16 U P 22.000 18.000 40.000 18.272 17.999 19.083 0.001 1 0 "[ . 1 . 2 ]" 2 469 2 7 G P 2 15 C P 22.000 18.000 40.000 18.067 17.992 18.325 0.008 10 0 "[ . 1 . 2 ]" 2 470 1 11 G P 2 12 C P 22.000 17.000 40.000 19.866 18.591 20.407 . 0 0 "[ . 1 . 2 ]" 2 471 1 12 U P 2 11 A P 22.000 17.000 40.000 18.143 17.344 19.083 . 0 0 "[ . 1 . 2 ]" 2 472 1 13 C P 2 10 G P 22.000 17.000 40.000 17.591 17.201 18.102 . 0 0 "[ . 1 . 2 ]" 2 473 1 2 A P 1 16 C P 17.000 13.000 17.000 16.946 16.488 17.010 0.010 20 0 "[ . 1 . 2 ]" 2 474 1 2 A P 1 17 U P 19.000 15.000 19.000 18.794 18.099 19.011 0.011 8 0 "[ . 1 . 2 ]" 2 475 2 2 C P 2 15 C P 15.000 11.000 15.000 14.992 14.982 15.005 0.005 8 0 "[ . 1 . 2 ]" 2 476 2 2 C P 2 16 U P 17.000 13.000 17.000 15.716 14.407 16.850 . 0 0 "[ . 1 . 2 ]" 2 477 2 2 C P 2 17 G P 19.000 15.000 19.000 18.172 17.298 19.004 0.004 9 0 "[ . 1 . 2 ]" 2 478 1 7 C Q4 1 14 G O6 2.000 . 2.200 1.744 1.697 1.757 0.103 11 0 "[ . 1 . 2 ]" 2 479 1 1 G H1' 1 1 G H8 3.800 3.400 3.800 3.672 3.654 3.724 . 0 0 "[ . 1 . 2 ]" 2 480 1 2 A H1' 1 2 A H8 3.800 3.400 3.800 3.766 3.718 3.804 0.004 15 0 "[ . 1 . 2 ]" 2 481 1 3 G H1' 1 3 G H8 3.800 3.400 3.800 3.757 3.709 3.819 0.019 19 0 "[ . 1 . 2 ]" 2 482 1 5 A H1' 1 5 A H8 3.800 3.400 3.800 3.819 3.786 3.844 0.044 15 0 "[ . 1 . 2 ]" 2 483 1 6 G H1' 1 6 G H8 3.800 3.400 3.800 3.797 3.769 3.839 0.039 8 0 "[ . 1 . 2 ]" 2 484 1 8 A H1' 1 8 A H8 3.800 3.400 3.800 3.756 3.683 3.812 0.012 17 0 "[ . 1 . 2 ]" 2 485 1 14 G H1' 1 14 G H8 3.800 3.400 3.800 3.669 3.571 3.799 . 0 0 "[ . 1 . 2 ]" 2 486 1 15 G H1' 1 15 G H8 3.800 3.400 3.800 3.683 3.333 3.872 0.072 6 0 "[ . 1 . 2 ]" 2 487 1 18 G H1' 1 18 G H8 3.800 3.400 3.800 3.781 3.741 3.823 0.023 15 0 "[ . 1 . 2 ]" 2 488 1 22 A H1' 1 22 A H8 3.800 3.400 3.800 3.854 3.851 3.866 0.066 20 0 "[ . 1 . 2 ]" 2 489 2 1 G H1' 2 1 G H8 3.800 3.400 3.800 3.638 3.600 3.687 . 0 0 "[ . 1 . 2 ]" 2 490 2 3 G H1' 2 3 G H8 3.800 3.400 3.800 3.818 3.789 3.832 0.032 19 0 "[ . 1 . 2 ]" 2 491 2 4 G H1' 2 4 G H8 3.800 3.400 3.800 3.778 3.763 3.801 0.001 10 0 "[ . 1 . 2 ]" 2 492 2 6 A H1' 2 6 A H8 3.800 3.400 3.800 3.830 3.815 3.842 0.042 4 0 "[ . 1 . 2 ]" 2 493 2 7 G H1' 2 7 G H8 3.800 3.400 3.800 3.720 3.652 3.812 0.012 1 0 "[ . 1 . 2 ]" 2 494 2 10 G H1' 2 10 G H8 3.800 3.400 3.800 3.602 3.567 3.698 . 0 0 "[ . 1 . 2 ]" 2 495 2 11 A H1' 2 11 A H8 3.800 3.400 3.800 3.695 3.658 3.749 . 0 0 "[ . 1 . 2 ]" 2 496 2 14 A H1' 2 14 A H8 3.800 3.400 3.800 3.659 3.467 3.744 . 0 0 "[ . 1 . 2 ]" 2 497 2 17 G H1' 2 17 G H8 3.800 3.400 3.800 3.823 3.810 3.834 0.034 19 0 "[ . 1 . 2 ]" 2 498 2 20 G H1' 2 20 G H8 3.800 3.400 3.800 3.818 3.800 3.830 0.030 3 0 "[ . 1 . 2 ]" 2 499 1 4 C H1' 1 4 C H6 3.600 3.200 3.600 3.537 3.515 3.564 . 0 0 "[ . 1 . 2 ]" 2 500 1 7 C H1' 1 7 C H6 3.600 3.200 3.600 3.523 3.497 3.553 . 0 0 "[ . 1 . 2 ]" 2 501 1 9 U H1' 1 9 U H6 3.600 3.200 3.600 3.511 3.504 3.520 . 0 0 "[ . 1 . 2 ]" 2 502 1 10 C H1' 1 10 C H6 3.600 3.200 3.600 3.511 3.466 3.548 . 0 0 "[ . 1 . 2 ]" 2 503 1 12 U H1' 1 12 U H6 3.600 3.200 3.600 3.514 3.481 3.568 . 0 0 "[ . 1 . 2 ]" 2 504 1 13 C H1' 1 13 C H6 3.600 3.200 3.600 3.535 3.518 3.551 . 0 0 "[ . 1 . 2 ]" 2 505 1 16 C H1' 1 16 C H6 3.600 3.200 3.600 3.530 3.498 3.555 . 0 0 "[ . 1 . 2 ]" 2 506 1 17 U H1' 1 17 U H6 3.600 3.200 3.600 3.563 3.521 3.586 . 0 0 "[ . 1 . 2 ]" 2 507 1 19 C H1' 1 19 C H6 3.600 3.200 3.600 3.570 3.538 3.631 0.031 1 0 "[ . 1 . 2 ]" 2 508 1 20 U H1' 1 20 U H6 3.600 3.200 3.600 3.574 3.550 3.616 0.016 21 0 "[ . 1 . 2 ]" 2 509 1 21 C H1' 1 21 C H6 3.600 3.200 3.600 3.555 3.535 3.566 . 0 0 "[ . 1 . 2 ]" 2 510 2 2 C H1' 2 2 C H6 3.600 3.200 3.600 3.549 3.529 3.590 . 0 0 "[ . 1 . 2 ]" 2 511 2 5 C H1' 2 5 C H6 3.600 3.200 3.600 3.566 3.543 3.586 . 0 0 "[ . 1 . 2 ]" 2 512 2 8 U H1' 2 8 U H6 3.600 3.200 3.600 3.537 3.529 3.546 . 0 0 "[ . 1 . 2 ]" 2 513 2 9 U H1' 2 9 U H6 3.600 3.200 3.600 3.511 3.498 3.524 . 0 0 "[ . 1 . 2 ]" 2 514 2 12 C H1' 2 12 C H6 3.600 3.200 3.600 3.521 3.493 3.552 . 0 0 "[ . 1 . 2 ]" 2 515 2 13 U H1' 2 13 U H6 3.600 3.200 3.600 3.513 3.135 3.637 0.065 13 0 "[ . 1 . 2 ]" 2 516 2 15 C H1' 2 15 C H6 3.600 3.200 3.600 3.548 3.510 3.568 . 0 0 "[ . 1 . 2 ]" 2 517 2 16 U H1' 2 16 U H6 3.600 3.200 3.600 3.533 3.516 3.577 . 0 0 "[ . 1 . 2 ]" 2 518 2 18 U H1' 2 18 U H6 3.600 3.200 3.600 3.512 3.482 3.552 . 0 0 "[ . 1 . 2 ]" 2 519 2 19 C H1' 2 19 C H6 3.600 3.200 3.600 3.536 3.521 3.546 . 0 0 "[ . 1 . 2 ]" 2 520 2 21 C H1' 2 21 C H6 3.600 3.200 3.600 3.532 3.524 3.549 . 0 0 "[ . 1 . 2 ]" 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 32 _Distance_constraint_stats_list.Viol_count 285 _Distance_constraint_stats_list.Viol_total 79.086 _Distance_constraint_stats_list.Viol_max 0.058 _Distance_constraint_stats_list.Viol_rms 0.0104 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0056 _Distance_constraint_stats_list.Viol_average_violations_only 0.0132 _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 0.140 0.012 19 0 "[ . 1 . 2 ]" 1 2 A 0.029 0.006 20 0 "[ . 1 . 2 ]" 1 3 G 0.175 0.019 21 0 "[ . 1 . 2 ]" 1 4 C 0.175 0.029 16 0 "[ . 1 . 2 ]" 1 5 A 0.084 0.011 16 0 "[ . 1 . 2 ]" 1 6 G 0.375 0.036 15 0 "[ . 1 . 2 ]" 1 11 G 0.257 0.034 19 0 "[ . 1 . 2 ]" 1 12 U 0.072 0.010 14 0 "[ . 1 . 2 ]" 1 13 C 0.208 0.032 20 0 "[ . 1 . 2 ]" 1 16 C 0.375 0.036 15 0 "[ . 1 . 2 ]" 1 17 U 0.084 0.011 16 0 "[ . 1 . 2 ]" 1 18 G 0.175 0.029 16 0 "[ . 1 . 2 ]" 1 19 C 0.175 0.019 21 0 "[ . 1 . 2 ]" 1 20 U 0.029 0.006 20 0 "[ . 1 . 2 ]" 1 21 C 0.140 0.012 19 0 "[ . 1 . 2 ]" 2 1 G 0.001 0.001 1 0 "[ . 1 . 2 ]" 2 2 C 0.359 0.035 21 0 "[ . 1 . 2 ]" 2 3 G 0.031 0.006 4 0 "[ . 1 . 2 ]" 2 4 G 0.932 0.058 2 0 "[ . 1 . 2 ]" 2 5 C 0.234 0.023 11 0 "[ . 1 . 2 ]" 2 6 A 0.217 0.023 11 0 "[ . 1 . 2 ]" 2 7 G 0.479 0.037 3 0 "[ . 1 . 2 ]" 2 10 G 0.208 0.032 20 0 "[ . 1 . 2 ]" 2 11 A 0.072 0.010 14 0 "[ . 1 . 2 ]" 2 12 C 0.257 0.034 19 0 "[ . 1 . 2 ]" 2 15 C 0.479 0.037 3 0 "[ . 1 . 2 ]" 2 16 U 0.217 0.023 11 0 "[ . 1 . 2 ]" 2 17 G 0.234 0.023 11 0 "[ . 1 . 2 ]" 2 18 U 0.932 0.058 2 0 "[ . 1 . 2 ]" 2 19 C 0.031 0.006 4 0 "[ . 1 . 2 ]" 2 20 G 0.359 0.035 21 0 "[ . 1 . 2 ]" 2 21 C 0.001 0.001 1 0 "[ . 1 . 2 ]" stop_ loop_ _Distance_constraint_stats.Restraint_ID _Distance_constraint_stats.Atom_1_entity_assembly_ID _Distance_constraint_stats.Atom_1_comp_index_ID _Distance_constraint_stats.Atom_1_comp_ID _Distance_constraint_stats.Atom_1_ID _Distance_constraint_stats.Atom_2_entity_assembly_ID _Distance_constraint_stats.Atom_2_comp_index_ID _Distance_constraint_stats.Atom_2_comp_ID _Distance_constraint_stats.Atom_2_ID _Distance_constraint_stats.Node_1_distance_val _Distance_constraint_stats.Node_1_distance_lower_bound_val _Distance_constraint_stats.Node_1_distance_upper_bound_val _Distance_constraint_stats.Distance_average _Distance_constraint_stats.Distance_minimum _Distance_constraint_stats.Distance_maximum _Distance_constraint_stats.Max_violation _Distance_constraint_stats.Max_violation_model_number _Distance_constraint_stats.Over_cutoff_violation_count _Distance_constraint_stats.Over_cutoff_viol_per_model _Distance_constraint_stats.Distance_constraint_stats_ID 1 1 1 G H8 1 21 C H6 12.000 11.800 12.200 11.806 11.788 11.845 0.012 19 0 "[ . 1 . 2 ]" 3 2 1 1 G O6 1 21 C O2 5.400 5.300 5.500 5.298 5.293 5.310 0.007 21 0 "[ . 1 . 2 ]" 3 3 1 2 A H8 1 20 U H6 12.000 11.800 12.200 11.864 11.796 11.992 0.004 15 0 "[ . 1 . 2 ]" 3 4 1 2 A N6 1 20 U O2 5.400 5.300 5.500 5.360 5.294 5.496 0.006 20 0 "[ . 1 . 2 ]" 3 5 1 3 G H8 1 19 C H6 12.000 11.800 12.200 11.921 11.829 12.006 . 0 0 "[ . 1 . 2 ]" 3 6 1 3 G O6 1 19 C O2 5.400 5.300 5.500 5.461 5.290 5.519 0.019 21 0 "[ . 1 . 2 ]" 3 7 1 4 C H6 1 18 G H8 12.000 11.800 12.200 11.895 11.790 11.986 0.010 12 0 "[ . 1 . 2 ]" 3 8 1 4 C O2 1 18 G O6 5.400 5.300 5.500 5.459 5.296 5.529 0.029 16 0 "[ . 1 . 2 ]" 3 9 1 5 A H8 1 17 U H6 12.000 11.800 12.200 11.887 11.796 11.954 0.004 8 0 "[ . 1 . 2 ]" 3 10 1 5 A N6 1 17 U O2 5.400 5.300 5.500 5.474 5.314 5.511 0.011 16 0 "[ . 1 . 2 ]" 3 11 1 6 G H8 1 16 C H6 12.000 11.800 12.200 11.896 11.789 12.009 0.011 20 0 "[ . 1 . 2 ]" 3 12 1 6 G O6 1 16 C O2 5.400 5.300 5.500 5.517 5.506 5.536 0.036 15 0 "[ . 1 . 2 ]" 3 13 2 1 G H8 2 21 C H6 12.000 11.800 12.200 11.901 11.825 11.990 . 0 0 "[ . 1 . 2 ]" 3 14 2 1 G O6 2 21 C O2 5.400 5.300 5.500 5.461 5.343 5.501 0.001 1 0 "[ . 1 . 2 ]" 3 15 2 2 C H6 2 20 G H8 12.000 11.800 12.200 11.893 11.778 11.960 0.022 21 0 "[ . 1 . 2 ]" 3 16 2 2 C O2 2 20 G O6 5.400 5.300 5.500 5.515 5.504 5.535 0.035 21 0 "[ . 1 . 2 ]" 3 17 2 3 G H8 2 19 C H6 12.000 11.800 12.200 11.814 11.795 11.840 0.005 20 0 "[ . 1 . 2 ]" 3 18 2 3 G O6 2 19 C O2 5.400 5.300 5.500 5.495 5.477 5.506 0.006 4 0 "[ . 1 . 2 ]" 3 19 2 4 G H8 2 18 U H6 12.000 11.800 12.200 11.756 11.742 11.791 0.058 2 0 "[ . 1 . 2 ]" 3 20 2 4 G O6 2 18 U O2 3.500 3.200 3.800 3.628 3.367 3.767 . 0 0 "[ . 1 . 2 ]" 3 21 2 5 C H6 2 17 G H8 12.000 11.800 12.200 11.916 11.875 11.979 . 0 0 "[ . 1 . 2 ]" 3 22 2 5 C O2 2 17 G O6 5.400 5.300 5.500 5.511 5.495 5.523 0.023 11 0 "[ . 1 . 2 ]" 3 23 2 6 A H8 2 16 U H6 12.000 11.800 12.200 11.793 11.777 11.822 0.023 11 0 "[ . 1 . 2 ]" 3 24 2 6 A N6 2 16 U O2 5.400 5.300 5.500 5.372 5.292 5.499 0.008 19 0 "[ . 1 . 2 ]" 3 25 2 7 G H8 2 15 C H6 12.000 11.800 12.200 11.933 11.841 11.999 . 0 0 "[ . 1 . 2 ]" 3 26 2 7 G O6 2 15 C O2 5.400 5.300 5.500 5.523 5.503 5.537 0.037 3 0 "[ . 1 . 2 ]" 3 27 1 11 G H8 2 12 C H6 12.000 11.800 12.200 11.881 11.766 12.028 0.034 19 0 "[ . 1 . 2 ]" 3 28 1 11 G O6 2 12 C O2 5.400 5.300 5.500 5.501 5.402 5.522 0.022 17 0 "[ . 1 . 2 ]" 3 29 1 12 U H6 2 11 A H8 12.000 11.800 12.200 11.871 11.791 11.962 0.009 20 0 "[ . 1 . 2 ]" 3 30 1 12 U O2 2 11 A N6 5.400 5.300 5.500 5.349 5.290 5.488 0.010 14 0 "[ . 1 . 2 ]" 3 31 1 13 C H6 2 10 G H8 12.000 11.800 12.200 11.856 11.768 11.963 0.032 20 0 "[ . 1 . 2 ]" 3 32 1 13 C O2 2 10 G O6 5.400 5.300 5.500 5.497 5.358 5.530 0.030 4 0 "[ . 1 . 2 ]" 3 stop_ save_
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