NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
468870 | 1a9l | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1a9l 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 307 _Distance_constraint_stats_list.Viol_count 879 _Distance_constraint_stats_list.Viol_total 692.088 _Distance_constraint_stats_list.Viol_max 0.464 _Distance_constraint_stats_list.Viol_rms 0.0458 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0157 _Distance_constraint_stats_list.Viol_average_violations_only 0.0656 _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 0.000 0.000 . 0 "[ . 1 ]" 1 2 G 0.000 0.000 . 0 "[ . 1 ]" 1 3 G 0.123 0.019 5 0 "[ . 1 ]" 1 4 U 0.458 0.044 3 0 "[ . 1 ]" 1 5 G 0.129 0.031 4 0 "[ . 1 ]" 1 6 A 0.996 0.099 7 0 "[ . 1 ]" 1 7 C 1.090 0.099 7 0 "[ . 1 ]" 1 8 U 0.495 0.036 2 0 "[ . 1 ]" 1 9 C 0.873 0.057 2 0 "[ . 1 ]" 1 10 C 1.272 0.071 7 0 "[ . 1 ]" 1 11 A 4.095 0.179 3 0 "[ . 1 ]" 1 12 G 14.286 0.464 7 0 "[ . 1 ]" 1 13 A 11.564 0.355 12 0 "[ . 1 ]" 1 14 G 17.005 0.464 7 0 "[ . 1 ]" 1 15 G 0.788 0.067 10 0 "[ . 1 ]" 1 16 U 0.172 0.031 3 0 "[ . 1 ]" 1 17 C 0.394 0.078 9 0 "[ . 1 ]" 1 18 G 3.760 0.217 12 0 "[ . 1 ]" 1 19 A 2.766 0.358 4 0 "[ . 1 ]" 1 20 G 3.715 0.358 4 0 "[ . 1 ]" 1 21 A 11.569 0.317 2 0 "[ . 1 ]" 1 22 G 6.834 0.317 2 0 "[ . 1 ]" 1 23 A 0.558 0.053 6 0 "[ . 1 ]" 1 24 C 0.879 0.053 6 0 "[ . 1 ]" 1 25 C 2.369 0.166 8 0 "[ . 1 ]" 1 26 G 4.068 0.180 6 0 "[ . 1 ]" 1 27 G 0.482 0.132 6 0 "[ . 1 ]" 1 28 A 0.277 0.040 1 0 "[ . 1 ]" 1 29 G 0.167 0.040 1 0 "[ . 1 ]" 1 30 A 1.653 0.140 12 0 "[ . 1 ]" 1 31 U 4.169 0.143 3 0 "[ . 1 ]" 1 32 A 2.247 0.127 1 0 "[ . 1 ]" 1 33 U 0.388 0.043 2 0 "[ . 1 ]" 1 34 C 0.411 0.037 2 0 "[ . 1 ]" 1 35 A 0.678 0.040 5 0 "[ . 1 ]" 1 36 C 0.898 0.049 2 0 "[ . 1 ]" 1 37 C 0.670 0.049 2 0 "[ . 1 ]" 1 38 C 0.235 0.027 3 0 "[ . 1 ]" 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 1 G H8 3.750 2.500 5.000 3.609 3.546 3.693 . 0 0 "[ . 1 ]" 1 2 1 1 G H1' 1 2 G H8 4.250 3.000 5.500 4.869 4.828 4.905 . 0 0 "[ . 1 ]" 1 3 1 1 G H2' 1 1 G H8 3.750 2.500 5.000 4.323 4.099 4.417 . 0 0 "[ . 1 ]" 1 4 1 1 G H2' 1 2 G H8 2.850 . 3.700 2.393 2.269 2.463 . 0 0 "[ . 1 ]" 1 5 1 1 G H3' 1 1 G H8 3.750 2.500 5.000 3.243 3.097 3.466 . 0 0 "[ . 1 ]" 1 6 1 1 G H3' 1 2 G H8 3.750 2.500 5.000 3.126 3.036 3.163 . 0 0 "[ . 1 ]" 1 7 1 2 G H1' 1 2 G H8 3.750 2.500 5.000 3.690 3.631 3.766 . 0 0 "[ . 1 ]" 1 8 1 2 G H1' 1 3 G H8 4.250 3.000 5.500 4.896 4.720 5.419 . 0 0 "[ . 1 ]" 1 9 1 2 G H2' 1 2 G H8 3.750 2.500 5.000 4.176 3.981 4.294 . 0 0 "[ . 1 ]" 1 10 1 2 G H2' 1 3 G H8 2.850 . 3.700 2.533 2.252 3.600 . 0 0 "[ . 1 ]" 1 11 1 2 G H3' 1 2 G H8 3.750 2.500 5.000 3.007 2.775 3.255 . 0 0 "[ . 1 ]" 1 12 1 2 G H3' 1 3 G H8 4.250 3.000 5.500 3.264 3.028 3.683 . 0 0 "[ . 1 ]" 1 13 1 3 G H1' 1 3 G H8 3.750 2.500 5.000 3.685 3.650 3.709 . 0 0 "[ . 1 ]" 1 14 1 3 G H1' 1 4 U H6 4.250 3.000 5.500 5.203 5.024 5.500 0.000 5 0 "[ . 1 ]" 1 15 1 3 G H2' 1 3 G H8 4.250 3.000 5.500 4.161 4.117 4.219 . 0 0 "[ . 1 ]" 1 16 1 3 G H2' 1 4 U H6 3.750 2.500 5.000 2.766 2.489 3.279 0.011 3 0 "[ . 1 ]" 1 17 1 3 G H3' 1 3 G H8 4.250 3.000 5.500 3.072 2.981 3.319 0.019 5 0 "[ . 1 ]" 1 18 1 3 G H8 1 4 U H5 4.250 3.000 5.500 4.495 4.051 4.717 . 0 0 "[ . 1 ]" 1 19 1 4 U H1' 1 4 U H6 3.750 2.500 5.000 3.610 3.593 3.624 . 0 0 "[ . 1 ]" 1 20 1 4 U H1' 1 5 G H8 5.000 4.000 6.000 4.927 4.751 5.712 . 0 0 "[ . 1 ]" 1 21 1 4 U H2' 1 4 U H6 2.850 . 3.700 3.731 3.722 3.744 0.044 3 0 "[ . 1 ]" 1 22 1 5 G H1' 1 5 G H8 3.750 2.500 5.000 3.696 3.624 3.794 . 0 0 "[ . 1 ]" 1 23 1 5 G H1' 1 6 A H8 5.000 4.000 6.000 5.826 5.228 6.031 0.031 4 0 "[ . 1 ]" 1 24 1 6 A H1' 1 6 A H8 4.250 3.000 5.500 3.777 3.629 3.934 . 0 0 "[ . 1 ]" 1 25 1 6 A H1' 1 7 C H6 4.250 3.000 5.500 4.646 4.431 4.990 . 0 0 "[ . 1 ]" 1 26 1 6 A H2' 1 6 A H8 4.250 3.000 5.500 3.397 2.968 3.805 0.032 12 0 "[ . 1 ]" 1 27 1 6 A H2' 1 7 C H6 5.000 4.000 6.000 4.308 3.964 4.690 0.036 4 0 "[ . 1 ]" 1 28 1 7 C H1' 1 7 C H6 4.250 3.000 5.500 3.521 3.372 3.667 . 0 0 "[ . 1 ]" 1 29 1 7 C H1' 1 8 U H6 4.250 3.000 5.500 4.767 4.640 4.877 . 0 0 "[ . 1 ]" 1 30 1 7 C H2' 1 7 C H6 3.750 2.500 5.000 4.106 3.681 4.407 . 0 0 "[ . 1 ]" 1 31 1 7 C H2' 1 8 U H6 2.850 . 3.700 2.210 2.119 2.372 . 0 0 "[ . 1 ]" 1 32 1 7 C H3' 1 8 U H6 4.250 3.000 5.500 3.082 2.971 3.444 0.029 11 0 "[ . 1 ]" 1 33 1 8 U H1' 1 8 U H6 4.250 3.000 5.500 3.542 3.479 3.582 . 0 0 "[ . 1 ]" 1 34 1 8 U H1' 1 9 C H6 4.250 3.000 5.500 4.998 4.873 5.124 . 0 0 "[ . 1 ]" 1 35 1 8 U H6 1 9 C H5 4.250 3.000 5.500 4.342 3.965 4.795 . 0 0 "[ . 1 ]" 1 36 1 8 U H2' 1 9 C H6 3.750 2.500 5.000 2.485 2.465 2.533 0.035 4 0 "[ . 1 ]" 1 37 1 8 U H3' 1 8 U H6 4.250 3.000 5.500 3.012 2.964 3.143 0.036 2 0 "[ . 1 ]" 1 38 1 9 C H1' 1 9 C H6 3.750 2.500 5.000 3.611 3.592 3.649 . 0 0 "[ . 1 ]" 1 39 1 9 C H1' 1 10 C H6 4.250 3.000 5.500 4.920 4.808 5.068 . 0 0 "[ . 1 ]" 1 40 1 9 C H2' 1 9 C H6 4.250 3.000 5.500 3.951 3.890 4.055 . 0 0 "[ . 1 ]" 1 41 1 9 C H2' 1 10 C H6 3.750 2.500 5.000 2.494 2.467 2.569 0.033 6 0 "[ . 1 ]" 1 42 1 9 C H6 1 10 C H5 4.250 3.000 5.500 4.341 3.966 4.774 . 0 0 "[ . 1 ]" 1 43 1 10 C H1' 1 10 C H6 3.750 2.500 5.000 3.604 3.580 3.656 . 0 0 "[ . 1 ]" 1 44 1 10 C H1' 1 11 A H8 4.250 3.000 5.500 4.511 3.979 5.170 . 0 0 "[ . 1 ]" 1 45 1 10 C H2' 1 10 C H6 2.850 . 3.700 3.715 3.680 3.744 0.044 1 0 "[ . 1 ]" 1 46 1 10 C H2' 1 11 A H8 2.850 . 3.700 2.476 2.062 3.006 . 0 0 "[ . 1 ]" 1 47 1 10 C H5 1 11 A H8 4.250 3.000 5.500 5.511 5.368 5.571 0.071 7 0 "[ . 1 ]" 1 48 1 11 A H1' 1 11 A H8 3.750 2.500 5.000 3.206 3.157 3.271 . 0 0 "[ . 1 ]" 1 49 1 11 A H1' 1 12 G H8 4.250 3.000 5.500 3.019 2.937 3.153 0.063 2 0 "[ . 1 ]" 1 50 1 11 A H2' 1 11 A H8 3.750 2.500 5.000 4.643 4.431 4.757 . 0 0 "[ . 1 ]" 1 51 1 11 A H2' 1 12 G H8 3.750 2.500 5.000 3.636 2.991 4.256 . 0 0 "[ . 1 ]" 1 52 1 11 A H3' 1 11 A H8 2.850 . 3.700 3.726 3.697 3.763 0.063 9 0 "[ . 1 ]" 1 53 1 12 G H1' 1 12 G H8 3.750 2.500 5.000 3.998 3.955 4.081 . 0 0 "[ . 1 ]" 1 54 1 12 G H1' 1 13 A H8 4.250 3.000 5.500 5.699 5.551 5.846 0.346 3 0 "[ . 1 ]" 1 55 1 12 G H2' 1 12 G H8 4.250 3.000 5.500 3.011 2.709 3.421 0.291 7 0 "[ . 1 ]" 1 56 1 12 G H2' 1 13 A H8 5.000 4.000 6.000 4.460 3.931 5.981 0.069 3 0 "[ . 1 ]" 1 57 1 12 G H3' 1 12 G H8 3.750 2.500 5.000 4.923 4.816 5.087 0.087 7 0 "[ . 1 ]" 1 58 1 12 G H3' 1 13 A H8 3.750 2.500 5.000 3.577 2.753 5.087 0.087 12 0 "[ . 1 ]" 1 59 1 13 A H1' 1 13 A H8 3.750 2.500 5.000 3.565 3.377 3.634 . 0 0 "[ . 1 ]" 1 60 1 13 A H1' 1 14 G H8 4.250 3.000 5.500 2.735 2.645 2.831 0.355 12 0 "[ . 1 ]" 1 61 1 13 A H2' 1 13 A H8 2.850 . 3.700 3.025 2.713 3.717 0.017 6 0 "[ . 1 ]" 1 62 1 13 A H2' 1 14 G H8 3.750 2.500 5.000 4.471 4.330 4.619 . 0 0 "[ . 1 ]" 1 63 1 13 A H3' 1 13 A H8 4.250 3.000 5.500 4.987 4.859 5.313 . 0 0 "[ . 1 ]" 1 64 1 13 A H3' 1 14 G H8 4.250 3.000 5.500 3.906 3.794 4.052 . 0 0 "[ . 1 ]" 1 65 1 14 G H1' 1 14 G H8 3.750 2.500 5.000 3.262 3.120 3.399 . 0 0 "[ . 1 ]" 1 66 1 14 G H1' 1 15 G H8 4.250 3.000 5.500 5.085 4.812 5.525 0.025 6 0 "[ . 1 ]" 1 67 1 14 G H2' 1 14 G H8 3.750 2.500 5.000 4.135 3.958 4.321 . 0 0 "[ . 1 ]" 1 68 1 14 G H2' 1 15 G H8 2.850 . 3.700 2.767 2.246 3.721 0.021 6 0 "[ . 1 ]" 1 69 1 14 G H3' 1 14 G H8 4.250 3.000 5.500 3.254 2.976 3.978 0.024 3 0 "[ . 1 ]" 1 70 1 14 G H3' 1 15 G H8 4.250 3.000 5.500 3.265 3.011 3.698 . 0 0 "[ . 1 ]" 1 71 1 15 G H1' 1 15 G H8 3.750 2.500 5.000 3.798 3.683 3.890 . 0 0 "[ . 1 ]" 1 72 1 15 G H1' 1 16 U H6 4.250 3.000 5.500 4.870 4.785 5.031 . 0 0 "[ . 1 ]" 1 73 1 15 G H2' 1 15 G H8 4.250 3.000 5.500 3.882 3.363 4.116 . 0 0 "[ . 1 ]" 1 74 1 15 G H2' 1 16 U H6 2.850 . 3.700 2.310 2.131 2.549 . 0 0 "[ . 1 ]" 1 75 1 15 G H3' 1 15 G H8 4.250 3.000 5.500 3.058 2.943 3.535 0.057 3 0 "[ . 1 ]" 1 76 1 15 G H8 1 16 U H6 4.250 4.000 5.500 4.676 4.430 5.300 . 0 0 "[ . 1 ]" 1 77 1 16 U H1' 1 16 U H6 3.750 2.500 5.000 3.654 3.623 3.679 . 0 0 "[ . 1 ]" 1 78 1 16 U H1' 1 17 C H6 4.250 3.000 5.500 5.242 5.030 5.450 . 0 0 "[ . 1 ]" 1 79 1 16 U H2' 1 16 U H6 2.850 . 3.700 3.656 3.499 3.716 0.016 6 0 "[ . 1 ]" 1 80 1 16 U H2' 1 17 C H6 2.850 . 3.700 2.674 2.384 2.948 . 0 0 "[ . 1 ]" 1 81 1 17 C H1' 1 17 C H6 3.750 2.500 5.000 3.689 3.675 3.712 . 0 0 "[ . 1 ]" 1 82 1 17 C H1' 1 18 G H8 4.250 3.000 5.500 5.518 5.406 5.578 0.078 9 0 "[ . 1 ]" 1 83 1 17 C H2' 1 17 C H6 3.750 2.500 5.000 3.394 3.129 3.520 . 0 0 "[ . 1 ]" 1 84 1 17 C H2' 1 18 G H8 3.750 2.500 5.000 2.884 2.638 3.304 . 0 0 "[ . 1 ]" 1 85 1 17 C H5 1 18 G H8 4.250 3.000 5.500 4.934 3.789 5.510 0.010 1 0 "[ . 1 ]" 1 86 1 18 G H1' 1 18 G H8 3.750 2.500 5.000 3.871 3.717 3.950 . 0 0 "[ . 1 ]" 1 87 1 18 G H1' 1 19 A H8 4.250 3.000 5.500 5.551 5.459 5.634 0.134 2 0 "[ . 1 ]" 1 88 1 18 G H2' 1 18 G H8 3.750 2.500 5.000 3.399 2.797 3.777 . 0 0 "[ . 1 ]" 1 89 1 18 G H2' 1 19 A H8 3.750 2.500 5.000 4.255 2.873 4.920 . 0 0 "[ . 1 ]" 1 90 1 18 G H3' 1 18 G H8 3.750 2.500 5.000 3.012 2.449 5.008 0.051 6 0 "[ . 1 ]" 1 91 1 18 G H3' 1 19 A H8 3.750 2.500 5.000 4.824 2.660 5.069 0.069 5 0 "[ . 1 ]" 1 92 1 19 A H1' 1 19 A H8 3.750 2.500 5.000 3.681 2.579 3.904 . 0 0 "[ . 1 ]" 1 93 1 19 A H1' 1 20 G H8 4.250 3.000 5.500 4.935 2.852 5.486 0.148 4 0 "[ . 1 ]" 1 94 1 19 A H2' 1 19 A H8 3.750 2.500 5.000 4.082 3.164 4.857 . 0 0 "[ . 1 ]" 1 95 1 19 A H2' 1 20 G H8 3.750 2.500 5.000 2.653 2.342 3.144 0.158 4 0 "[ . 1 ]" 1 96 1 19 A H3' 1 19 A H8 3.750 2.500 5.000 3.962 3.226 5.031 0.031 3 0 "[ . 1 ]" 1 97 1 19 A H3' 1 20 G H8 2.850 . 3.700 2.964 2.462 4.058 0.358 4 0 "[ . 1 ]" 1 98 1 20 G H1' 1 20 G H8 3.750 2.500 5.000 3.490 2.497 3.930 0.003 8 0 "[ . 1 ]" 1 99 1 20 G H1' 1 21 A H8 4.250 3.000 5.500 5.157 4.065 5.601 0.101 11 0 "[ . 1 ]" 1 100 1 20 G H2' 1 20 G H8 3.750 2.500 5.000 3.846 3.344 4.669 . 0 0 "[ . 1 ]" 1 101 1 20 G H2' 1 21 A H8 2.850 . 3.700 2.800 2.424 3.178 . 0 0 "[ . 1 ]" 1 102 1 20 G H3' 1 20 G H8 4.250 3.000 5.500 3.574 2.954 4.961 0.046 6 0 "[ . 1 ]" 1 103 1 20 G H3' 1 21 A H8 4.250 3.000 5.500 3.982 3.172 5.504 0.004 4 0 "[ . 1 ]" 1 104 1 21 A H1' 1 21 A H8 3.750 2.500 5.000 3.972 3.950 4.006 . 0 0 "[ . 1 ]" 1 105 1 21 A H1' 1 22 G H8 4.250 3.000 5.500 5.577 5.545 5.623 0.123 1 0 "[ . 1 ]" 1 106 1 21 A H2' 1 21 A H8 4.250 3.000 5.500 2.979 2.912 3.047 0.088 3 0 "[ . 1 ]" 1 107 1 21 A H2' 1 22 G H8 3.750 2.500 5.000 3.183 3.155 3.249 . 0 0 "[ . 1 ]" 1 108 1 21 A H3' 1 21 A H8 2.850 . 3.700 2.718 2.425 2.950 . 0 0 "[ . 1 ]" 1 109 1 21 A H3' 1 22 G H8 2.850 . 3.700 3.706 3.417 3.759 0.059 4 0 "[ . 1 ]" 1 110 1 22 G H1' 1 22 G H8 3.750 2.500 5.000 3.486 3.384 3.561 . 0 0 "[ . 1 ]" 1 111 1 22 G H1' 1 23 A H8 4.250 3.000 5.500 5.012 4.822 5.310 . 0 0 "[ . 1 ]" 1 112 1 22 G H2' 1 22 G H8 2.850 . 3.700 3.884 3.849 3.920 0.220 11 0 "[ . 1 ]" 1 113 1 22 G H2' 1 23 A H8 3.750 2.500 5.000 2.713 2.495 3.105 0.005 11 0 "[ . 1 ]" 1 114 1 23 A H1' 1 23 A H8 3.750 2.500 5.000 3.725 3.658 3.784 . 0 0 "[ . 1 ]" 1 115 1 23 A H1' 1 24 C H6 4.250 3.000 5.500 4.954 4.846 5.033 . 0 0 "[ . 1 ]" 1 116 1 23 A H2' 1 23 A H8 4.250 3.000 5.500 4.123 3.935 4.269 . 0 0 "[ . 1 ]" 1 117 1 23 A H2' 1 24 C H6 3.750 2.500 5.000 2.472 2.447 2.489 0.053 6 0 "[ . 1 ]" 1 118 1 23 A H3' 1 23 A H8 3.750 2.500 5.000 2.921 2.733 3.178 . 0 0 "[ . 1 ]" 1 119 1 23 A H3' 1 24 C H6 3.750 2.500 5.000 2.906 2.660 3.134 . 0 0 "[ . 1 ]" 1 120 1 23 A H8 1 24 C H6 4.250 4.000 5.500 4.661 4.361 4.854 . 0 0 "[ . 1 ]" 1 121 1 24 C H1' 1 24 C H6 3.750 2.500 5.000 3.647 3.628 3.674 . 0 0 "[ . 1 ]" 1 122 1 24 C H1' 1 25 C H6 4.250 3.000 5.500 4.965 4.757 5.261 . 0 0 "[ . 1 ]" 1 123 1 24 C H2' 1 24 C H6 5.000 4.000 6.000 3.969 3.960 3.985 0.040 6 0 "[ . 1 ]" 1 124 1 24 C H2' 1 25 C H6 2.850 . 3.700 2.375 2.112 2.896 . 0 0 "[ . 1 ]" 1 125 1 24 C H3' 1 24 C H6 3.750 2.500 5.000 2.664 2.495 3.000 0.005 6 0 "[ . 1 ]" 1 126 1 24 C H6 1 25 C H5 4.250 3.000 5.500 3.848 3.508 4.451 . 0 0 "[ . 1 ]" 1 127 1 25 C H1' 1 25 C H6 4.250 3.000 5.500 3.776 3.638 3.843 . 0 0 "[ . 1 ]" 1 128 1 25 C H1' 1 26 G H8 4.250 3.000 5.500 5.629 5.593 5.666 0.166 8 0 "[ . 1 ]" 1 129 1 25 C H2' 1 25 C H6 4.250 3.000 5.500 2.998 2.896 3.797 0.104 11 0 "[ . 1 ]" 1 130 1 25 C H3' 1 25 C H6 3.750 2.500 5.000 4.645 2.925 4.890 . 0 0 "[ . 1 ]" 1 131 1 26 G H1' 1 26 G H8 3.750 2.500 5.000 3.386 3.113 3.725 . 0 0 "[ . 1 ]" 1 132 1 26 G H1' 1 27 G H8 4.250 3.000 5.500 4.996 4.738 5.486 . 0 0 "[ . 1 ]" 1 133 1 26 G H2' 1 26 G H8 4.250 3.000 5.500 4.435 3.914 4.689 . 0 0 "[ . 1 ]" 1 134 1 27 G H1' 1 27 G H8 3.750 2.500 5.000 3.589 3.479 3.724 . 0 0 "[ . 1 ]" 1 135 1 27 G H1' 1 28 A H8 4.250 3.000 5.500 5.318 5.167 5.524 0.024 10 0 "[ . 1 ]" 1 136 1 27 G H2' 1 28 A H8 4.250 3.000 5.500 3.148 2.962 3.631 0.038 6 0 "[ . 1 ]" 1 137 1 28 A H1' 1 28 A H8 4.250 3.000 5.500 3.723 3.644 3.763 . 0 0 "[ . 1 ]" 1 138 1 28 A H1' 1 29 G H8 4.250 3.000 5.500 5.338 5.120 5.540 0.040 1 0 "[ . 1 ]" 1 139 1 28 A H2' 1 29 G H8 4.250 3.000 5.500 3.153 2.985 3.988 0.015 12 0 "[ . 1 ]" 1 140 1 29 G H1' 1 29 G H8 4.250 3.000 5.500 3.744 3.634 3.794 . 0 0 "[ . 1 ]" 1 141 1 29 G H1' 1 30 A H8 4.250 3.000 5.500 5.382 4.994 5.518 0.018 10 0 "[ . 1 ]" 1 142 1 30 A H1' 1 30 A H8 4.250 3.000 5.500 3.623 3.060 3.799 . 0 0 "[ . 1 ]" 1 143 1 30 A H1' 1 31 U H6 4.250 3.000 5.500 5.098 2.995 5.568 0.068 4 0 "[ . 1 ]" 1 144 1 30 A H2' 1 30 A H8 3.750 2.500 5.000 4.104 3.792 4.777 . 0 0 "[ . 1 ]" 1 145 1 30 A H2' 1 31 U H6 3.750 2.500 5.000 3.848 3.227 4.731 . 0 0 "[ . 1 ]" 1 146 1 31 U H1' 1 31 U H6 4.250 3.000 5.500 3.170 2.857 3.656 0.143 3 0 "[ . 1 ]" 1 147 1 31 U H1' 1 32 A H8 4.250 3.000 5.500 5.152 3.379 5.543 0.043 9 0 "[ . 1 ]" 1 148 1 31 U H2' 1 31 U H6 3.750 2.500 5.000 4.392 3.257 4.941 . 0 0 "[ . 1 ]" 1 149 1 31 U H2' 1 32 A H8 4.250 3.000 5.500 3.691 2.941 4.492 0.059 5 0 "[ . 1 ]" 1 150 1 31 U H3' 1 32 A H8 4.250 3.000 5.500 4.447 2.913 5.627 0.127 1 0 "[ . 1 ]" 1 151 1 32 A H1' 1 32 A H8 3.750 2.500 5.000 3.846 3.650 3.961 . 0 0 "[ . 1 ]" 1 152 1 32 A H1' 1 33 U H6 4.250 3.000 5.500 4.649 2.984 5.508 0.016 11 0 "[ . 1 ]" 1 153 1 32 A H2' 1 32 A H8 3.750 2.500 5.000 2.859 2.419 3.609 0.081 7 0 "[ . 1 ]" 1 154 1 32 A H2' 1 33 U H6 3.750 2.500 5.000 3.649 2.463 5.029 0.037 10 0 "[ . 1 ]" 1 155 1 32 A H3' 1 32 A H8 4.250 3.000 5.500 4.040 2.914 4.987 0.086 5 0 "[ . 1 ]" 1 156 1 32 A H3' 1 33 U H6 4.250 3.000 5.500 4.363 2.957 5.502 0.043 2 0 "[ . 1 ]" 1 157 1 32 A H8 1 33 U H5 4.250 3.000 5.500 4.029 2.993 5.502 0.007 2 0 "[ . 1 ]" 1 158 1 33 U H1' 1 33 U H6 4.250 3.000 5.500 3.657 3.578 3.713 . 0 0 "[ . 1 ]" 1 159 1 33 U H1' 1 34 C H6 4.250 3.000 5.500 4.725 4.626 4.912 . 0 0 "[ . 1 ]" 1 160 1 33 U H2' 1 33 U H6 4.250 3.000 5.500 3.774 3.314 4.091 . 0 0 "[ . 1 ]" 1 161 1 34 C H1' 1 34 C H6 3.750 2.500 5.000 3.628 3.570 3.689 . 0 0 "[ . 1 ]" 1 162 1 34 C H1' 1 35 A H8 4.250 3.000 5.500 4.894 4.770 5.010 . 0 0 "[ . 1 ]" 1 163 1 34 C H2' 1 35 A H8 3.750 2.500 5.000 2.479 2.467 2.499 0.033 1 0 "[ . 1 ]" 1 164 1 34 C H5 1 35 A H8 5.000 4.000 6.000 4.974 4.715 5.556 . 0 0 "[ . 1 ]" 1 165 1 35 A H1' 1 35 A H8 3.750 2.500 5.000 3.762 3.720 3.794 . 0 0 "[ . 1 ]" 1 166 1 35 A H1' 1 36 C H6 4.250 3.000 5.500 4.999 4.840 5.507 0.007 1 0 "[ . 1 ]" 1 167 1 35 A H2' 1 36 C H6 3.750 2.500 5.000 2.676 2.469 3.739 0.031 5 0 "[ . 1 ]" 1 168 1 35 A H8 1 36 C H5 4.250 3.000 5.500 4.318 4.000 4.734 . 0 0 "[ . 1 ]" 1 169 1 36 C H1' 1 36 C H6 3.750 2.500 5.000 3.575 3.552 3.590 . 0 0 "[ . 1 ]" 1 170 1 36 C H1' 1 37 C H6 4.250 3.000 5.500 5.442 5.305 5.523 0.023 9 0 "[ . 1 ]" 1 171 1 36 C H2' 1 37 C H6 4.250 3.000 5.500 3.028 2.951 3.779 0.049 2 0 "[ . 1 ]" 1 172 1 37 C H1' 1 37 C H6 3.750 2.500 5.000 3.632 3.511 3.653 . 0 0 "[ . 1 ]" 1 173 1 37 C H1' 1 38 C H6 4.250 3.000 5.500 5.380 5.326 5.527 0.027 3 0 "[ . 1 ]" 1 174 1 37 C H2' 1 38 C H6 4.250 3.000 5.500 3.044 2.978 3.704 0.022 9 0 "[ . 1 ]" 1 175 1 38 C H1' 1 38 C H6 3.750 2.500 5.000 3.650 3.614 3.662 . 0 0 "[ . 1 ]" 1 176 1 38 C H2' 1 38 C H6 2.850 . 3.700 3.680 3.650 3.723 0.023 3 0 "[ . 1 ]" 1 177 1 1 G H1' 1 1 G H2' 3.750 2.500 5.000 2.793 2.784 2.811 . 0 0 "[ . 1 ]" 1 178 1 2 G H1' 1 2 G H2' 3.750 2.500 5.000 2.789 2.782 2.801 . 0 0 "[ . 1 ]" 1 179 1 3 G H1' 1 3 G H2' 3.750 2.500 5.000 2.798 2.774 2.825 . 0 0 "[ . 1 ]" 1 180 1 4 U H1' 1 4 U H2' 3.750 2.500 5.000 2.821 2.793 2.843 . 0 0 "[ . 1 ]" 1 181 1 5 G H1' 1 5 G H2' 3.750 2.500 5.000 2.754 2.687 2.818 . 0 0 "[ . 1 ]" 1 182 1 6 A H1' 1 6 A H2' 3.750 2.500 5.000 3.070 3.048 3.088 . 0 0 "[ . 1 ]" 1 183 1 7 C H1' 1 7 C H2' 3.750 2.500 5.000 2.810 2.748 2.832 . 0 0 "[ . 1 ]" 1 184 1 8 U H1' 1 8 U H2' 3.750 2.500 5.000 2.792 2.775 2.824 . 0 0 "[ . 1 ]" 1 185 1 9 C H1' 1 9 C H2' 3.750 2.500 5.000 2.758 2.740 2.771 . 0 0 "[ . 1 ]" 1 186 1 10 C H1' 1 10 C H2' 3.750 2.500 5.000 2.826 2.798 2.871 . 0 0 "[ . 1 ]" 1 187 1 11 A H1' 1 11 A H2' 3.750 2.500 5.000 2.734 2.660 2.830 . 0 0 "[ . 1 ]" 1 188 1 12 G H1' 1 12 G H2' 4.250 3.000 5.500 2.946 2.916 2.962 0.084 3 0 "[ . 1 ]" 1 189 1 13 A H1' 1 13 A H2' 3.750 2.500 5.000 3.077 3.058 3.095 . 0 0 "[ . 1 ]" 1 190 1 14 G H1' 1 14 G H2' 3.750 2.500 5.000 2.851 2.809 2.886 . 0 0 "[ . 1 ]" 1 191 1 15 G H1' 1 15 G H2' 3.750 2.500 5.000 2.784 2.726 2.852 . 0 0 "[ . 1 ]" 1 192 1 16 U H1' 1 16 U H2' 3.750 2.500 5.000 2.830 2.814 2.846 . 0 0 "[ . 1 ]" 1 193 1 17 C H1' 1 17 C H2' 3.750 2.500 5.000 2.822 2.773 2.852 . 0 0 "[ . 1 ]" 1 194 1 18 G H1' 1 18 G H2' 3.750 2.500 5.000 2.854 2.734 3.029 . 0 0 "[ . 1 ]" 1 195 1 19 A H1' 1 19 A H2' 3.750 2.500 5.000 2.875 2.730 3.059 . 0 0 "[ . 1 ]" 1 196 1 20 G H1' 1 20 G H2' 3.750 2.500 5.000 2.775 2.715 2.905 . 0 0 "[ . 1 ]" 1 197 1 21 A H1' 1 21 A H2' 3.750 2.500 5.000 2.429 2.393 2.458 0.107 4 0 "[ . 1 ]" 1 198 1 23 A H1' 1 23 A H2' 3.750 2.500 5.000 2.756 2.726 2.782 . 0 0 "[ . 1 ]" 1 199 1 24 C H1' 1 24 C H2' 3.750 2.500 5.000 2.794 2.770 2.836 . 0 0 "[ . 1 ]" 1 200 1 25 C H1' 1 25 C H2' 3.750 2.500 5.000 3.030 2.633 3.093 . 0 0 "[ . 1 ]" 1 201 1 26 G H1' 1 26 G H2' 4.250 3.000 5.500 2.920 2.858 3.027 0.142 6 0 "[ . 1 ]" 1 202 1 27 G H1' 1 27 G H2' 3.750 2.500 5.000 2.766 2.720 2.844 . 0 0 "[ . 1 ]" 1 203 1 28 A H1' 1 28 A H2' 3.750 2.500 5.000 2.766 2.747 2.806 . 0 0 "[ . 1 ]" 1 204 1 29 G H1' 1 29 G H2' 3.750 2.500 5.000 2.802 2.745 2.833 . 0 0 "[ . 1 ]" 1 205 1 30 A H1' 1 30 A H2' 3.750 2.500 5.000 2.832 2.785 2.907 . 0 0 "[ . 1 ]" 1 206 1 31 U H1' 1 31 U H2' 4.250 3.000 5.500 2.956 2.860 3.044 0.140 3 0 "[ . 1 ]" 1 207 1 32 A H1' 1 32 A H2' 3.750 2.500 5.000 2.983 2.862 3.077 . 0 0 "[ . 1 ]" 1 208 1 33 U H1' 1 33 U H2' 3.750 2.500 5.000 2.774 2.743 2.862 . 0 0 "[ . 1 ]" 1 209 1 34 C H1' 1 34 C H2' 3.750 2.500 5.000 2.792 2.769 2.831 . 0 0 "[ . 1 ]" 1 210 1 35 A H1' 1 35 A H2' 3.750 2.500 5.000 2.754 2.724 2.805 . 0 0 "[ . 1 ]" 1 211 1 36 C H1' 1 36 C H2' 3.750 2.500 5.000 2.793 2.752 2.837 . 0 0 "[ . 1 ]" 1 212 1 37 C H1' 1 37 C H2' 3.750 2.500 5.000 2.792 2.782 2.817 . 0 0 "[ . 1 ]" 1 213 1 38 C H1' 1 38 C H2' 3.750 2.500 5.000 2.846 2.840 2.853 . 0 0 "[ . 1 ]" 1 214 1 6 A H2 1 7 C H1' 4.250 3.000 5.500 3.187 2.969 3.673 0.031 7 0 "[ . 1 ]" 1 215 1 11 A H1' 1 11 A H2 4.250 3.000 5.500 5.489 5.332 5.552 0.052 9 0 "[ . 1 ]" 1 216 1 11 A H2 1 26 G H1' 4.250 3.000 5.500 5.554 5.514 5.610 0.110 3 0 "[ . 1 ]" 1 217 1 11 A H2 1 12 G H1' 5.000 4.000 6.000 6.107 6.037 6.179 0.179 3 0 "[ . 1 ]" 1 218 1 13 A H1' 1 13 A H2 5.000 4.000 6.000 4.297 4.063 4.758 . 0 0 "[ . 1 ]" 1 219 1 13 A H2 1 14 G H1' 3.750 2.500 5.000 2.713 2.421 4.756 0.079 3 0 "[ . 1 ]" 1 220 1 19 A H1' 1 19 A H2 4.250 3.000 5.500 4.808 4.580 5.616 0.116 4 0 "[ . 1 ]" 1 221 1 19 A H2 1 20 G H1' 3.750 2.500 5.000 4.597 3.531 5.044 0.044 4 0 "[ . 1 ]" 1 222 1 21 A H1' 1 21 A H2 5.000 4.000 6.000 4.079 4.012 4.190 . 0 0 "[ . 1 ]" 1 223 1 20 G H1' 1 21 A H2 4.250 3.000 5.500 5.560 5.390 5.618 0.118 12 0 "[ . 1 ]" 1 224 1 21 A H2 1 22 G H1' 4.250 3.000 5.500 5.054 4.874 5.260 . 0 0 "[ . 1 ]" 1 225 1 23 A H1' 1 23 A H2 4.250 3.000 5.500 4.794 4.668 4.909 . 0 0 "[ . 1 ]" 1 226 1 23 A H2 1 24 C H1' 3.750 2.500 5.000 4.123 3.670 4.744 . 0 0 "[ . 1 ]" 1 227 1 17 C H1' 1 23 A H2 3.750 2.500 5.000 4.957 4.733 5.016 0.016 2 0 "[ . 1 ]" 1 228 1 9 C H1' 1 28 A H2 3.750 2.500 5.000 3.069 2.606 3.432 . 0 0 "[ . 1 ]" 1 229 1 28 A H2 1 29 G H1' 4.250 3.000 5.500 3.068 2.989 3.307 0.011 10 0 "[ . 1 ]" 1 230 1 28 A H1' 1 28 A H2 5.000 4.000 6.000 4.805 4.707 4.940 . 0 0 "[ . 1 ]" 1 231 1 7 C H1' 1 30 A H2 3.750 2.500 5.000 3.592 2.754 5.002 0.002 4 0 "[ . 1 ]" 1 232 1 30 A H1' 1 30 A H2 5.000 4.000 6.000 4.920 4.668 5.578 . 0 0 "[ . 1 ]" 1 233 1 32 A H2 1 33 U H1' 3.750 2.500 5.000 3.764 3.016 4.885 . 0 0 "[ . 1 ]" 1 234 1 32 A H1' 1 32 A H2 5.000 4.000 6.000 4.659 4.507 4.860 . 0 0 "[ . 1 ]" 1 235 1 35 A H1' 1 35 A H2 4.250 3.000 5.500 4.770 4.716 4.816 . 0 0 "[ . 1 ]" 1 236 1 35 A H2 1 36 C H1' 3.750 2.500 5.000 3.127 2.787 3.512 . 0 0 "[ . 1 ]" 1 237 1 5 G H1' 1 35 A H2 3.750 2.500 5.000 3.207 2.671 3.908 . 0 0 "[ . 1 ]" 1 238 1 3 G H1' 1 4 U H1' 5.000 4.000 6.000 5.990 5.925 6.016 0.016 4 0 "[ . 1 ]" 1 239 1 7 C H1' 1 8 U H5 5.000 4.000 6.000 5.543 5.237 5.767 . 0 0 "[ . 1 ]" 1 240 1 9 C H1' 1 10 C H1' 4.250 3.000 5.500 5.497 5.098 5.557 0.057 2 0 "[ . 1 ]" 1 241 1 9 C H1' 1 10 C H5 5.000 4.000 6.000 6.010 5.967 6.030 0.030 3 0 "[ . 1 ]" 1 242 1 9 C H5 1 10 C H5 4.250 3.000 5.500 3.868 3.497 4.262 . 0 0 "[ . 1 ]" 1 243 1 10 C H1' 1 11 A H1' 5.000 4.000 6.000 4.725 3.966 5.717 0.034 6 0 "[ . 1 ]" 1 244 1 15 G H1' 1 16 U H5 4.250 3.000 5.500 5.465 5.044 5.531 0.031 3 0 "[ . 1 ]" 1 245 1 16 U H1' 1 16 U H5 4.250 3.000 5.500 5.351 5.336 5.369 . 0 0 "[ . 1 ]" 1 246 1 16 U H5 1 17 C H5 4.250 3.000 5.500 3.441 2.984 4.103 0.016 9 0 "[ . 1 ]" 1 247 1 19 A H1' 1 20 G H1' 5.000 4.000 6.000 5.954 4.892 6.079 0.079 10 0 "[ . 1 ]" 1 248 1 20 G H1' 1 21 A H1' 4.250 3.000 5.500 5.447 5.057 5.553 0.053 12 0 "[ . 1 ]" 1 249 1 23 A H1' 1 24 C H5 4.250 3.000 5.500 5.511 5.497 5.536 0.036 6 0 "[ . 1 ]" 1 250 1 23 A H1' 1 24 C H1' 5.000 4.000 6.000 5.840 5.383 6.027 0.027 9 0 "[ . 1 ]" 1 251 1 24 C H5 1 25 C H5 4.250 3.000 5.500 3.786 3.424 4.726 . 0 0 "[ . 1 ]" 1 252 1 31 U H1' 1 32 A H1' 5.000 4.000 6.000 5.422 4.359 6.065 0.065 2 0 "[ . 1 ]" 1 253 1 33 U H1' 1 34 C H5 5.000 4.000 6.000 5.490 4.737 5.921 . 0 0 "[ . 1 ]" 1 254 1 33 U H5 1 34 C H5 5.000 4.000 6.000 4.059 3.963 4.396 0.037 2 0 "[ . 1 ]" 1 255 1 35 A H1' 1 36 C H1' 4.250 3.000 5.500 5.492 5.327 5.540 0.040 5 0 "[ . 1 ]" 1 256 1 36 C H1' 1 36 C H5 5.000 4.000 6.000 5.317 5.231 5.348 . 0 0 "[ . 1 ]" 1 257 1 36 C H5 1 37 C H5 4.250 3.000 5.500 3.795 3.178 4.010 . 0 0 "[ . 1 ]" 1 258 1 1 G H8 1 2 G H8 5.000 4.000 6.000 5.049 4.892 5.153 . 0 0 "[ . 1 ]" 1 259 1 2 G H8 1 3 G H8 5.000 4.000 6.000 4.733 4.351 5.019 . 0 0 "[ . 1 ]" 1 260 1 10 C H6 1 11 A H8 5.000 4.000 6.000 5.156 4.910 5.560 . 0 0 "[ . 1 ]" 1 261 1 11 A H8 1 12 G H8 5.000 4.000 6.000 6.075 6.022 6.169 0.169 7 0 "[ . 1 ]" 1 262 1 13 A H8 1 14 G H8 5.000 4.000 6.000 6.119 6.050 6.157 0.157 1 0 "[ . 1 ]" 1 263 1 17 C H6 1 18 G H8 5.000 4.000 6.000 4.685 3.999 4.968 0.001 5 0 "[ . 1 ]" 1 264 1 19 A H8 1 20 G H8 5.000 4.000 6.000 4.464 3.931 5.099 0.069 8 0 "[ . 1 ]" 1 265 1 20 G H8 1 21 A H8 5.000 4.000 6.000 5.334 4.852 5.822 . 0 0 "[ . 1 ]" 1 266 1 21 A H8 1 22 G H8 5.000 4.000 6.000 4.637 4.348 4.862 . 0 0 "[ . 1 ]" 1 267 1 26 G H8 1 27 G H8 5.000 4.000 6.000 5.488 4.115 6.121 0.121 3 0 "[ . 1 ]" 1 268 1 27 G H8 1 28 A H8 5.000 4.000 6.000 4.939 4.330 5.343 . 0 0 "[ . 1 ]" 1 269 1 30 A H8 1 31 U H6 5.000 4.000 6.000 5.945 5.205 6.081 0.081 6 0 "[ . 1 ]" 1 270 1 32 A H8 1 33 U H6 5.000 4.000 6.000 4.588 3.980 5.657 0.020 5 0 "[ . 1 ]" 1 271 1 34 C H6 1 35 A H8 5.000 4.000 6.000 4.454 4.060 4.940 . 0 0 "[ . 1 ]" 1 272 1 35 A H8 1 36 C H6 5.000 4.000 6.000 4.516 3.976 4.950 0.024 1 0 "[ . 1 ]" 1 273 1 31 U H2' 1 32 A H1' 5.000 4.000 6.000 4.722 3.933 6.038 0.067 12 0 "[ . 1 ]" 1 274 1 30 A H2' 1 31 U H1' 4.250 3.000 5.500 4.217 2.902 5.640 0.140 12 0 "[ . 1 ]" 1 275 1 13 A H3' 1 14 G H1' 5.000 4.000 6.000 6.191 6.085 6.245 0.245 7 0 "[ . 1 ]" 1 276 1 14 G H2' 1 15 G H1' 5.000 4.000 6.000 4.018 3.933 4.416 0.067 10 0 "[ . 1 ]" 1 277 1 11 A H2' 1 12 G H1' 3.750 2.750 5.500 4.844 4.266 5.359 . 0 0 "[ . 1 ]" 1 278 1 11 A H2' 1 12 G H3' 3.750 2.750 5.500 3.418 2.695 4.285 0.055 2 0 "[ . 1 ]" 1 279 1 13 A H1' 1 14 G H2' 3.750 2.750 5.500 5.372 5.156 5.560 0.060 12 0 "[ . 1 ]" 1 280 1 31 U H2' 1 32 A H2' 3.750 2.750 5.500 5.050 3.238 5.600 0.100 6 0 "[ . 1 ]" 1 281 1 21 A H1' 1 22 G H2' 3.750 2.750 5.500 5.778 5.738 5.817 0.317 2 0 "[ . 1 ]" 1 282 1 21 A H2 1 21 A H2' 3.750 2.750 5.500 5.646 5.631 5.685 0.185 4 0 "[ . 1 ]" 1 283 1 20 G H2' 1 21 A H1' 3.750 2.750 5.500 4.300 3.762 5.069 . 0 0 "[ . 1 ]" 1 284 1 19 A H2' 1 20 G H1' 3.750 2.750 5.500 3.929 3.567 4.688 . 0 0 "[ . 1 ]" 1 285 1 2 G H2' 1 3 G H1' 3.750 2.750 5.500 4.214 3.978 4.386 . 0 0 "[ . 1 ]" 1 286 1 6 A H2' 1 7 C H1' 3.750 2.750 5.500 5.558 5.514 5.599 0.099 7 0 "[ . 1 ]" 1 287 1 3 G H1 1 4 U H3 4.000 2.500 6.000 3.396 3.256 3.576 . 0 0 "[ . 1 ]" 1 288 1 15 G H1 1 16 U H3 4.000 2.500 6.000 3.595 3.353 4.381 . 0 0 "[ . 1 ]" 1 289 1 16 U H3 1 22 G H1 4.000 2.500 6.000 4.082 3.691 4.614 . 0 0 "[ . 1 ]" 1 290 1 13 A H1' 1 14 G H1 4.000 2.500 6.000 6.095 6.031 6.188 0.188 8 0 "[ . 1 ]" 1 291 1 14 G H1 1 26 G H1' 4.000 2.500 6.000 5.859 3.541 6.180 0.180 6 0 "[ . 1 ]" 1 292 1 18 G H1 1 21 A H2 4.000 2.500 6.000 6.180 6.124 6.217 0.217 12 0 "[ . 1 ]" 1 293 1 18 G H1 1 21 A H8 4.000 2.500 6.000 3.088 2.942 3.212 . 0 0 "[ . 1 ]" 1 294 1 18 G H1 1 21 A H1' 4.000 2.500 6.000 5.584 5.369 5.691 . 0 0 "[ . 1 ]" 1 295 1 11 A H1' 1 26 G H1 4.000 2.500 6.000 5.022 4.308 5.786 . 0 0 "[ . 1 ]" 1 296 1 11 A H8 1 26 G H1 4.000 2.500 6.000 3.426 3.011 4.095 . 0 0 "[ . 1 ]" 1 297 1 7 C H1' 1 32 A H2 4.250 3.000 5.500 4.837 3.446 5.567 0.067 2 0 "[ . 1 ]" 1 298 1 8 U H1' 1 32 A H2 3.750 2.500 5.000 3.732 2.473 5.030 0.030 11 0 "[ . 1 ]" 1 299 1 12 G H8 1 14 G H1' 5.000 4.000 6.000 4.557 3.974 5.538 0.026 7 0 "[ . 1 ]" 1 300 1 12 G H1' 1 14 G H1' 5.000 4.000 6.000 4.653 3.929 5.672 0.071 7 0 "[ . 1 ]" 1 301 1 12 G H1' 1 14 G H3' 5.000 4.000 6.000 6.123 6.030 6.220 0.220 3 0 "[ . 1 ]" 1 302 1 12 G H2' 1 14 G H1' 5.000 4.000 6.000 3.886 3.791 4.024 0.209 5 0 "[ . 1 ]" 1 303 1 12 G H2' 1 14 G H8 4.250 3.000 5.500 5.855 5.739 5.964 0.464 7 0 "[ . 1 ]" 1 304 1 13 A H2 1 27 G H1' 4.250 3.000 5.500 4.635 3.750 5.632 0.132 6 0 "[ . 1 ]" 1 305 1 18 G H1' 1 20 G H8 5.000 4.500 6.500 5.687 4.487 6.042 0.013 3 0 "[ . 1 ]" 1 306 1 21 A H8 1 22 G H1' 3.750 2.500 5.000 4.486 4.228 4.670 . 0 0 "[ . 1 ]" 1 307 1 32 A H8 1 33 U H1' 5.000 4.000 6.000 5.330 4.412 5.983 . 0 0 "[ . 1 ]" 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 16 _Distance_constraint_stats_list.Viol_count 29 _Distance_constraint_stats_list.Viol_total 31.393 _Distance_constraint_stats_list.Viol_max 0.190 _Distance_constraint_stats_list.Viol_rms 0.0367 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0136 _Distance_constraint_stats_list.Viol_average_violations_only 0.0902 _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 8 U 0.000 0.000 . 0 "[ . 1 ]" 1 11 A 1.062 0.134 1 0 "[ . 1 ]" 1 12 G 0.892 0.134 1 0 "[ . 1 ]" 1 13 A 1.537 0.190 3 0 "[ . 1 ]" 1 15 G 0.181 0.101 9 0 "[ . 1 ]" 1 19 A 0.000 0.000 . 0 "[ . 1 ]" 1 21 A 0.000 0.000 . 0 "[ . 1 ]" 1 26 G 1.373 0.190 3 0 "[ . 1 ]" 1 27 G 0.186 0.101 9 0 "[ . 1 ]" 1 30 A 0.000 0.000 . 0 "[ . 1 ]" 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 8 U H5 1 30 A H2 7.000 5.500 57.000 6.991 6.491 7.773 . 0 0 "[ . 1 ]" 2 2 1 8 U H1' 1 30 A H2 7.000 5.500 57.000 6.455 5.533 7.270 . 0 0 "[ . 1 ]" 2 3 1 11 A H8 1 13 A H8 7.000 5.500 57.000 10.158 8.752 11.181 . 0 0 "[ . 1 ]" 2 4 1 11 A H2 1 13 A H2 7.000 5.500 57.000 5.781 5.446 6.427 0.054 12 0 "[ . 1 ]" 2 5 1 11 A H2 1 12 G H8 7.000 5.500 57.000 5.633 5.366 6.403 0.134 1 0 "[ . 1 ]" 2 6 1 11 A H1' 1 13 A H8 7.000 5.500 57.000 8.494 7.480 9.184 . 0 0 "[ . 1 ]" 2 7 1 11 A H1' 1 13 A H1' 7.000 5.500 57.000 8.176 7.468 8.910 . 0 0 "[ . 1 ]" 2 8 1 11 A H8 1 13 A H1' 7.000 5.500 57.000 10.576 9.875 11.214 . 0 0 "[ . 1 ]" 2 9 1 13 A H2 1 26 G H1' 7.000 5.500 57.000 5.386 5.310 5.428 0.190 3 0 "[ . 1 ]" 2 10 1 11 A H2 1 27 G H1' 7.000 5.500 57.000 7.252 5.495 8.053 0.005 6 0 "[ . 1 ]" 2 11 1 15 G H1' 1 27 G H1' 7.000 5.500 57.000 6.271 5.399 8.722 0.101 9 0 "[ . 1 ]" 2 12 1 19 A H2 1 21 A H1' 7.000 5.500 57.000 9.124 7.274 9.917 . 0 0 "[ . 1 ]" 2 13 1 19 A H8 1 21 A H8 7.000 5.500 57.000 9.468 9.002 10.481 . 0 0 "[ . 1 ]" 2 14 1 19 A H2 1 21 A H2 7.000 5.500 57.000 7.839 6.282 10.601 . 0 0 "[ . 1 ]" 2 15 1 19 A H1' 1 21 A H1' 7.000 5.500 57.000 11.154 10.064 11.384 . 0 0 "[ . 1 ]" 2 16 1 19 A H1' 1 21 A H8 7.000 5.500 57.000 9.960 7.997 10.359 . 0 0 "[ . 1 ]" 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 82 _Distance_constraint_stats_list.Viol_count 396 _Distance_constraint_stats_list.Viol_total 119.276 _Distance_constraint_stats_list.Viol_max 0.187 _Distance_constraint_stats_list.Viol_rms 0.0239 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0101 _Distance_constraint_stats_list.Viol_average_violations_only 0.0251 _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 0.315 0.028 4 0 "[ . 1 ]" 1 2 G 0.163 0.023 9 0 "[ . 1 ]" 1 3 G 0.247 0.025 6 0 "[ . 1 ]" 1 4 U 0.462 0.050 1 0 "[ . 1 ]" 1 5 G 0.146 0.017 9 0 "[ . 1 ]" 1 6 A 0.688 0.063 12 0 "[ . 1 ]" 1 7 C 0.052 0.015 4 0 "[ . 1 ]" 1 8 U 0.378 0.043 12 0 "[ . 1 ]" 1 9 C 0.421 0.048 7 0 "[ . 1 ]" 1 10 C 0.840 0.045 1 0 "[ . 1 ]" 1 14 G 0.854 0.101 8 0 "[ . 1 ]" 1 15 G 0.194 0.023 2 0 "[ . 1 ]" 1 16 U 0.836 0.054 4 0 "[ . 1 ]" 1 17 C 0.890 0.057 11 0 "[ . 1 ]" 1 18 G 3.452 0.187 2 0 "[ . 1 ]" 1 20 G 0.351 0.083 4 0 "[ . 1 ]" 1 21 A 3.101 0.187 2 0 "[ . 1 ]" 1 22 G 0.890 0.057 11 0 "[ . 1 ]" 1 23 A 0.836 0.054 4 0 "[ . 1 ]" 1 24 C 0.194 0.023 2 0 "[ . 1 ]" 1 25 C 0.854 0.101 8 0 "[ . 1 ]" 1 26 G 0.840 0.045 1 0 "[ . 1 ]" 1 27 G 0.421 0.048 7 0 "[ . 1 ]" 1 28 A 0.378 0.043 12 0 "[ . 1 ]" 1 29 G 0.052 0.015 4 0 "[ . 1 ]" 1 33 U 0.688 0.063 12 0 "[ . 1 ]" 1 34 C 0.146 0.017 9 0 "[ . 1 ]" 1 35 A 0.462 0.050 1 0 "[ . 1 ]" 1 36 C 0.247 0.025 6 0 "[ . 1 ]" 1 37 C 0.163 0.023 9 0 "[ . 1 ]" 1 38 C 0.315 0.028 4 0 "[ . 1 ]" 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 38 C N3 1.950 . 2.050 2.067 2.017 2.078 0.028 4 0 "[ . 1 ]" 3 2 1 1 G O6 1 38 C H41 1.910 . 2.010 2.011 1.980 2.021 0.011 12 0 "[ . 1 ]" 3 3 1 1 G H21 1 38 C O2 1.860 . 1.960 1.933 1.907 1.969 0.009 11 0 "[ . 1 ]" 3 4 1 1 G N1 1 38 C N3 2.950 2.850 3.050 3.038 2.984 3.053 0.003 8 0 "[ . 1 ]" 3 5 1 1 G O6 1 38 C N4 2.910 2.810 3.010 2.996 2.966 3.007 . 0 0 "[ . 1 ]" 3 6 1 1 G N2 1 38 C O2 2.860 2.760 2.960 2.924 2.898 2.968 0.008 3 0 "[ . 1 ]" 3 7 1 2 G H1 1 37 C N3 1.950 . 2.050 2.055 2.037 2.068 0.018 9 0 "[ . 1 ]" 3 8 1 2 G O6 1 37 C H41 1.910 . 2.010 2.018 2.012 2.033 0.023 9 0 "[ . 1 ]" 3 9 1 2 G H21 1 37 C O2 1.860 . 1.960 1.935 1.901 1.962 0.002 7 0 "[ . 1 ]" 3 10 1 2 G N1 1 37 C N3 2.950 2.850 3.050 3.003 2.985 3.046 . 0 0 "[ . 1 ]" 3 11 1 2 G O6 1 37 C N4 2.910 2.810 3.010 2.987 2.976 3.005 . 0 0 "[ . 1 ]" 3 12 1 2 G N2 1 37 C O2 2.860 2.760 2.960 2.892 2.865 2.927 . 0 0 "[ . 1 ]" 3 13 1 3 G H1 1 36 C N3 1.950 . 2.050 2.047 1.992 2.072 0.022 8 0 "[ . 1 ]" 3 14 1 3 G O6 1 36 C H41 1.910 . 2.010 1.991 1.894 2.035 0.025 6 0 "[ . 1 ]" 3 15 1 3 G H21 1 36 C O2 1.860 . 1.960 1.932 1.874 1.977 0.017 5 0 "[ . 1 ]" 3 16 1 3 G N1 1 36 C N3 2.950 2.850 3.050 3.018 2.998 3.038 . 0 0 "[ . 1 ]" 3 17 1 3 G O6 1 36 C N4 2.910 2.810 3.010 2.975 2.893 3.010 0.000 4 0 "[ . 1 ]" 3 18 1 3 G N2 1 36 C O2 2.860 2.760 2.960 2.919 2.868 2.969 0.009 9 0 "[ . 1 ]" 3 19 1 4 U H3 1 35 A N1 1.820 . 1.920 1.941 1.928 1.970 0.050 1 0 "[ . 1 ]" 3 20 1 4 U O4 1 35 A H61 1.950 . 2.050 2.006 1.876 2.068 0.018 11 0 "[ . 1 ]" 3 21 1 4 U N3 1 35 A N1 2.820 2.720 2.920 2.927 2.905 2.965 0.045 1 0 "[ . 1 ]" 3 22 1 4 U O4 1 35 A N6 2.950 2.850 3.050 3.005 2.866 3.075 0.025 5 0 "[ . 1 ]" 3 23 1 5 G H1 1 34 C N3 1.950 . 2.050 2.038 2.009 2.066 0.016 10 0 "[ . 1 ]" 3 24 1 5 G O6 1 34 C H41 1.910 . 2.010 1.968 1.878 2.011 0.001 10 0 "[ . 1 ]" 3 25 1 5 G H21 1 34 C O2 1.860 . 1.960 1.963 1.927 1.977 0.017 9 0 "[ . 1 ]" 3 26 1 5 G N1 1 34 C N3 2.950 2.850 3.050 3.007 2.965 3.037 . 0 0 "[ . 1 ]" 3 27 1 5 G O6 1 34 C N4 2.910 2.810 3.010 2.956 2.869 3.001 . 0 0 "[ . 1 ]" 3 28 1 5 G N2 1 34 C O2 2.860 2.760 2.960 2.955 2.930 2.975 0.015 9 0 "[ . 1 ]" 3 29 1 6 A N1 1 33 U H3 1.820 . 1.920 1.946 1.922 1.983 0.063 12 0 "[ . 1 ]" 3 30 1 6 A H61 1 33 U O4 1.950 . 2.050 2.060 2.002 2.095 0.045 7 0 "[ . 1 ]" 3 31 1 6 A N1 1 33 U N3 2.820 2.720 2.920 2.923 2.852 2.949 0.029 12 0 "[ . 1 ]" 3 32 1 6 A N6 1 33 U O4 2.950 2.850 3.050 3.017 2.939 3.079 0.029 9 0 "[ . 1 ]" 3 33 1 7 C N3 1 29 G H1 1.950 . 2.050 2.020 1.987 2.058 0.008 8 0 "[ . 1 ]" 3 34 1 7 C H41 1 29 G O6 1.910 . 2.010 1.975 1.870 2.025 0.015 4 0 "[ . 1 ]" 3 35 1 7 C O2 1 29 G H21 1.860 . 1.960 1.917 1.865 1.967 0.007 4 0 "[ . 1 ]" 3 36 1 7 C N3 1 29 G N1 2.950 2.850 3.050 3.004 2.965 3.046 . 0 0 "[ . 1 ]" 3 37 1 7 C N4 1 29 G O6 2.910 2.810 3.010 2.954 2.871 3.012 0.002 9 0 "[ . 1 ]" 3 38 1 7 C O2 1 29 G N2 2.860 2.760 2.960 2.908 2.858 2.969 0.009 7 0 "[ . 1 ]" 3 39 1 8 U H3 1 28 A N1 1.820 . 1.920 1.940 1.905 1.963 0.043 12 0 "[ . 1 ]" 3 40 1 8 U O4 1 28 A H61 1.950 . 2.050 1.991 1.924 2.073 0.023 5 0 "[ . 1 ]" 3 41 1 8 U N3 1 28 A N1 2.820 2.720 2.920 2.915 2.888 2.959 0.039 2 0 "[ . 1 ]" 3 42 1 8 U O4 1 28 A N6 2.950 2.850 3.050 2.978 2.888 3.064 0.014 5 0 "[ . 1 ]" 3 43 1 9 C N3 1 27 G H1 1.950 . 2.050 2.064 2.032 2.098 0.048 7 0 "[ . 1 ]" 3 44 1 9 C H41 1 27 G O6 1.910 . 2.010 1.945 1.866 2.046 0.036 2 0 "[ . 1 ]" 3 45 1 9 C O2 1 27 G H21 1.860 . 1.960 1.949 1.829 1.996 0.036 6 0 "[ . 1 ]" 3 46 1 9 C N3 1 27 G N1 2.950 2.850 3.050 2.997 2.980 3.030 . 0 0 "[ . 1 ]" 3 47 1 9 C N4 1 27 G O6 2.910 2.810 3.010 2.908 2.829 3.019 0.009 12 0 "[ . 1 ]" 3 48 1 9 C O2 1 27 G N2 2.860 2.760 2.960 2.914 2.797 3.002 0.042 6 0 "[ . 1 ]" 3 49 1 10 C N3 1 26 G H1 1.950 . 2.050 2.051 2.016 2.068 0.018 11 0 "[ . 1 ]" 3 50 1 10 C H41 1 26 G O6 1.910 . 2.010 1.944 1.897 2.018 0.008 3 0 "[ . 1 ]" 3 51 1 10 C O2 1 26 G H21 1.860 . 1.960 1.982 1.943 2.003 0.043 1 0 "[ . 1 ]" 3 52 1 10 C N3 1 26 G N1 2.910 2.810 3.010 3.028 3.008 3.048 0.038 7 0 "[ . 1 ]" 3 53 1 10 C N4 1 26 G O6 2.910 2.810 3.010 2.932 2.872 2.982 . 0 0 "[ . 1 ]" 3 54 1 10 C O2 1 26 G N2 2.860 2.760 2.960 2.979 2.917 3.005 0.045 1 0 "[ . 1 ]" 3 55 1 14 G H1 1 25 C N3 1.950 . 2.050 2.082 2.037 2.151 0.101 8 0 "[ . 1 ]" 3 56 1 14 G O6 1 25 C H41 1.910 . 2.010 1.908 1.835 1.992 . 0 0 "[ . 1 ]" 3 57 1 14 G H21 1 25 C O2 1.860 . 1.960 1.987 1.958 2.018 0.058 7 0 "[ . 1 ]" 3 58 1 14 G N1 1 25 C N3 2.950 2.850 3.050 2.995 2.873 3.049 . 0 0 "[ . 1 ]" 3 59 1 14 G O6 1 25 C N4 2.910 2.810 3.010 2.885 2.843 2.943 . 0 0 "[ . 1 ]" 3 60 1 14 G N2 1 25 C O2 2.860 2.760 2.960 2.967 2.943 2.999 0.039 3 0 "[ . 1 ]" 3 61 1 15 G H1 1 24 C N3 1.950 . 2.050 2.049 2.013 2.073 0.023 2 0 "[ . 1 ]" 3 62 1 15 G O6 1 24 C H41 1.910 . 2.010 1.994 1.950 2.023 0.013 2 0 "[ . 1 ]" 3 63 1 15 G H21 1 24 C O2 1.860 . 1.960 1.947 1.882 1.979 0.019 9 0 "[ . 1 ]" 3 64 1 15 G N1 1 24 C N3 2.950 2.850 3.050 3.033 3.004 3.059 0.009 8 0 "[ . 1 ]" 3 65 1 15 G O6 1 24 C N4 2.910 2.810 3.010 2.964 2.895 3.021 0.011 8 0 "[ . 1 ]" 3 66 1 15 G N2 1 24 C O2 2.860 2.760 2.960 2.938 2.891 2.966 0.006 7 0 "[ . 1 ]" 3 67 1 16 U H3 1 23 A N1 1.820 . 1.920 1.955 1.941 1.967 0.047 4 0 "[ . 1 ]" 3 68 1 16 U O4 1 23 A H61 1.950 . 2.050 1.965 1.882 2.057 0.007 2 0 "[ . 1 ]" 3 69 1 16 U N3 1 23 A N1 2.820 2.720 2.920 2.954 2.916 2.974 0.054 4 0 "[ . 1 ]" 3 70 1 16 U O4 1 23 A N6 2.950 2.850 3.050 2.956 2.868 3.055 0.005 2 0 "[ . 1 ]" 3 71 1 17 C N3 1 22 G H1 1.950 . 2.050 2.081 2.058 2.107 0.057 11 0 "[ . 1 ]" 3 72 1 17 C H41 1 22 G O6 1.910 . 2.010 1.954 1.869 2.018 0.008 10 0 "[ . 1 ]" 3 73 1 17 C O2 1 22 G H21 1.860 . 1.960 1.996 1.987 2.003 0.043 5 0 "[ . 1 ]" 3 74 1 17 C N3 1 22 G N1 2.950 2.850 3.050 3.021 2.999 3.041 . 0 0 "[ . 1 ]" 3 75 1 17 C N4 1 22 G O6 2.910 2.810 3.010 2.923 2.860 2.993 . 0 0 "[ . 1 ]" 3 76 1 17 C O2 1 22 G N2 2.860 2.760 2.960 2.959 2.930 2.985 0.025 6 0 "[ . 1 ]" 3 77 1 18 G N3 1 21 A H62 2.000 . 2.100 2.176 2.150 2.223 0.123 8 0 "[ . 1 ]" 3 78 1 18 G N3 1 21 A N6 3.000 2.900 3.100 2.925 2.878 3.076 0.022 11 0 "[ . 1 ]" 3 79 1 18 G H21 1 21 A N7 2.000 . 2.100 2.274 2.266 2.287 0.187 2 0 "[ . 1 ]" 3 80 1 18 G N2 1 21 A N7 3.000 2.900 3.100 3.034 2.962 3.086 . 0 0 "[ . 1 ]" 3 81 1 18 G HO2' 1 20 G N7 2.000 . 2.200 2.157 1.972 2.283 0.083 4 0 "[ . 1 ]" 3 82 1 18 G O2' 1 20 G N7 3.000 2.800 3.200 3.088 2.935 3.245 0.045 4 0 "[ . 1 ]" 3 stop_ save_
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