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NMR Restraints Grid |
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Result table
(Save to zip file containing files for each block)
image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
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473007 |
2xeb ![]() ![]() |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2xeb 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 591 _Distance_constraint_stats_list.Viol_count 1504 _Distance_constraint_stats_list.Viol_total 6251.163 _Distance_constraint_stats_list.Viol_max 36.970 _Distance_constraint_stats_list.Viol_rms 1.3628 _Distance_constraint_stats_list.Viol_average_all_restraints 0.1058 _Distance_constraint_stats_list.Viol_average_violations_only 0.4156 _Distance_constraint_stats_list.Cutoff_violation_report 0.500 _Distance_constraint_stats_list.Details ; Description of the tags in this list: * 1 * Administrative tag * 2 * Administrative tag * 3 * Administrative tag * 4 * ID of the restraint list. * 5 * Number of restraints in list. * 6 * Number of violated restraints (each model violation is used). * 7 * Sum of violations in Angstrom. * 8 * Maximum violation of a restraint without averaging in any way. * 9 * Rms of violations over all restraints. * 10 * Average violation over all restraints. * 11 * Average violation over violated restraints. This violation is averaged over only those models in which the restraint is violated. These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998). * 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table. * 13 * This tag Description of the tags in the per residue table below: * 1 * Chain identifier (can be absent if none defined) * 2 * Residue number * 3 * Residue name * 4 * Maximum violation in ensemble of models (without any averaging) * 5 * Model number with the maximum violation * 6 * Number of models with a violation above cutoff * 7 * List of models (1 character per model) with a violation above cutoff. An '*' marks a violation above the cutoff. A '+' indicates the largest violation above the cutoff and a '-' marks the smallest violation over cutoff. For models 5, 15, 25,... a ' ' is replaced by a '.'. For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1. * 8 * Administrative tag * 9 * Administrative tag Description of the tags in the per restraint table below: * 1 * Restraint ID within restraint list. First node, FIRST member, first atom's: * 2 * Chain identifier (can be absent if none defined) * 3 * Residue number * 4 * Residue name * 5 * Name of (pseudo-)atom First node, SECOND member, first atom's: * 6 * Chain identifier (can be absent if none defined) * 7 * Residue number * 8 * Residue name * 9 * Name of (pseudo-)atom FIRST node's: * 10 * Target distance value (Angstrom) * 11 * Lower bound distance (Angstrom) * 12 * Upper bound distance (Angstrom) * 13 * Average distance in ensemble of models * 14 * Minimum distance in ensemble of models * 15 * Maximum distance in ensemble of models * 16 * Maximum violation (without any averaging) * 17 * Model number with the maximum violation * 18 * Number of models with a violation above cutoff * 19 * List of models with a violation above cutoff. See description above. * 20 * Administrative tag * 21 * Administrative tag ; loop_ _Distance_constraint_stats_per_res.Atom_entity_assembly_ID _Distance_constraint_stats_per_res.Atom_comp_index_ID _Distance_constraint_stats_per_res.Atom_comp_ID _Distance_constraint_stats_per_res.Total_violation _Distance_constraint_stats_per_res.Max_violation _Distance_constraint_stats_per_res.Max_violation_model_number _Distance_constraint_stats_per_res.Over_cutoff_viol_count _Distance_constraint_stats_per_res.Over_cutoff_viol_per_model 1 2 A 355.416 36.970 9 10 [**-*****+*] 1 3 U 9.231 0.417 1 0 "[ . 1]" 1 4 C 5.987 0.350 6 0 "[ . 1]" 1 5 G 6.084 0.425 5 0 "[ . 1]" 1 6 U 11.022 0.452 1 0 "[ . 1]" 1 7 A 12.432 0.409 8 0 "[ . 1]" 1 8 G 9.088 0.395 3 0 "[ . 1]" 1 9 C 8.778 0.464 6 0 "[ . 1]" 1 10 C 8.717 0.369 4 0 "[ . 1]" 1 11 A 16.542 0.732 9 2 "[ . -+1]" 1 12 A 10.973 0.373 6 0 "[ . 1]" 1 13 U 16.105 1.046 8 6 "[* - .**+*1]" 1 14 G 9.910 0.418 5 0 "[ . 1]" 1 15 A 16.576 0.640 6 1 "[ .+ 1]" 1 16 G 6.656 0.400 7 0 "[ . 1]" 1 17 G 11.472 0.371 6 0 "[ . 1]" 1 18 U 23.319 0.416 8 0 "[ . 1]" 1 19 U 351.612 36.970 9 10 [******-*+*] 2 1 G 13.337 0.453 2 0 "[ . 1]" 2 2 C 21.866 0.464 3 0 "[ . 1]" 2 3 C 3.888 0.310 5 0 "[ . 1]" 2 4 G 13.897 0.624 2 1 "[ + . 1]" 2 5 A 7.251 0.270 5 0 "[ . 1]" 2 6 G 4.809 0.297 10 0 "[ . 1]" 2 7 G 5.007 0.297 10 0 "[ . 1]" 2 8 C 5.890 0.463 6 0 "[ . 1]" 2 9 G 2.331 0.196 3 0 "[ . 1]" 2 10 C 10.147 0.698 3 2 "[ -+ . 1]" 2 11 G 8.738 0.373 5 0 "[ . 1]" 2 12 A 7.994 0.364 1 0 "[ . 1]" 2 13 U 14.108 0.841 10 4 "[- *. * +]" 2 14 C 3.848 0.308 6 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 19 U H1' 1 19 U H2' 2.600 . 3.400 2.797 2.793 2.801 . 0 0 "[ . 1]" 1 2 1 3 U H1' 1 3 U H2' 2.200 . 2.600 2.734 2.721 2.742 0.142 6 0 "[ . 1]" 1 3 1 3 U H1' 1 3 U H3' 2.600 . 3.400 3.794 3.781 3.817 0.417 1 0 "[ . 1]" 1 4 1 3 U H1' 1 3 U H6 3.400 . 5.000 3.417 3.394 3.443 . 0 0 "[ . 1]" 1 5 1 7 A H1' 1 7 A H8 2.600 . 3.400 3.677 3.618 3.809 0.409 8 0 "[ . 1]" 1 6 1 7 A H1' 1 7 A H2' 3.400 . 5.000 3.073 3.061 3.088 . 0 0 "[ . 1]" 1 7 1 7 A H1' 1 7 A H4' 2.600 . 3.400 3.399 3.271 3.482 0.082 1 0 "[ . 1]" 1 8 1 9 C H1' 1 9 C H6 3.400 . 5.000 3.498 3.447 3.522 . 0 0 "[ . 1]" 1 9 1 18 U H1' 1 18 U H6 2.600 . 3.400 3.583 3.541 3.641 0.241 8 0 "[ . 1]" 1 10 1 2 A H1' 1 2 A H8 3.400 . 5.000 3.634 3.588 3.679 . 0 0 "[ . 1]" 1 11 1 2 A H1' 1 2 A H3' 2.600 . 3.400 3.937 3.841 3.984 0.584 10 9 "[**- *****+]" 1 12 1 2 A H1' 1 2 A H2' 2.600 . 3.400 2.776 2.725 2.804 . 0 0 "[ . 1]" 1 13 1 2 A H1' 1 2 A H4' 2.600 . 3.400 3.553 3.506 3.639 0.239 9 0 "[ . 1]" 1 14 1 4 C H1' 1 4 C H6 3.400 . 5.000 3.522 3.473 3.564 . 0 0 "[ . 1]" 1 15 1 4 C H1' 1 4 C H2' 2.600 . 3.400 2.758 2.754 2.763 . 0 0 "[ . 1]" 1 16 1 5 G H1' 1 5 G H8 3.400 . 5.000 3.590 3.569 3.618 . 0 0 "[ . 1]" 1 17 1 18 U H1' 1 18 U H2' 2.200 . 2.600 2.768 2.747 2.775 0.175 7 0 "[ . 1]" 1 18 1 5 G H1' 1 5 G H2' 2.600 . 3.400 2.768 2.748 2.782 . 0 0 "[ . 1]" 1 19 1 5 G H1' 1 5 G H3' 2.600 . 3.400 3.796 3.773 3.825 0.425 5 0 "[ . 1]" 1 20 1 8 G H1' 1 8 G H8 3.400 . 5.000 3.691 3.655 3.724 . 0 0 "[ . 1]" 1 21 1 8 G H1' 1 8 G H4' 2.600 . 3.400 3.079 2.955 3.246 . 0 0 "[ . 1]" 1 22 1 8 G H1' 1 8 G H2' 2.600 . 3.400 2.899 2.887 2.916 . 0 0 "[ . 1]" 1 23 1 8 G H1' 1 8 G H3' 3.400 . 5.000 3.929 3.876 3.990 . 0 0 "[ . 1]" 1 24 1 10 C H1' 1 10 C H6 3.400 . 5.000 3.660 3.651 3.669 . 0 0 "[ . 1]" 1 25 1 10 C H1' 1 10 C H2' 2.600 . 3.400 2.891 2.871 2.900 . 0 0 "[ . 1]" 1 26 1 12 A H1' 1 12 A H8 2.600 . 3.400 3.680 3.651 3.731 0.331 5 0 "[ . 1]" 1 27 1 12 A H1' 1 12 A H4' 2.600 . 3.400 3.004 2.730 3.334 . 0 0 "[ . 1]" 1 28 1 12 A H1' 1 12 A H2' 3.400 . 5.000 2.903 2.853 2.944 . 0 0 "[ . 1]" 1 29 1 12 A H1' 1 12 A H3' 3.400 . 5.000 3.920 3.878 3.976 . 0 0 "[ . 1]" 1 30 1 15 A H1' 1 15 A H8 3.400 . 5.000 3.769 3.747 3.779 . 0 0 "[ . 1]" 1 31 1 15 A H1' 1 15 A H2' 2.600 . 3.400 2.730 2.720 2.735 . 0 0 "[ . 1]" 1 32 1 17 G H1' 1 17 G H2' 2.600 . 3.400 3.060 3.053 3.069 . 0 0 "[ . 1]" 1 33 1 17 G H1' 1 17 G H4' 2.600 . 3.400 3.144 3.054 3.243 . 0 0 "[ . 1]" 1 34 1 17 G H1' 1 17 G H3' 2.600 . 3.400 3.656 3.563 3.723 0.323 8 0 "[ . 1]" 1 35 1 18 U H1' 1 18 U H3' 2.600 . 3.400 3.787 3.757 3.816 0.416 8 0 "[ . 1]" 1 36 1 18 U H1' 1 18 U H4' 2.600 . 3.400 3.289 3.219 3.389 . 0 0 "[ . 1]" 1 37 1 19 U H1' 1 19 U H6 2.600 . 3.400 3.583 3.570 3.595 0.195 1 0 "[ . 1]" 1 38 1 19 U H1' 1 19 U H4' 2.600 . 3.400 3.452 3.400 3.482 0.082 1 0 "[ . 1]" 1 39 1 6 U H1' 1 6 U H6 3.400 . 5.000 3.529 3.510 3.543 . 0 0 "[ . 1]" 1 40 1 6 U H1' 1 6 U H2' 2.600 . 3.400 2.810 2.791 2.835 . 0 0 "[ . 1]" 1 41 1 6 U H1' 1 6 U H4' 2.600 . 3.400 3.409 3.342 3.436 0.036 2 0 "[ . 1]" 1 42 1 13 U H1' 1 13 U H6 2.600 . 3.400 3.603 3.583 3.621 0.221 5 0 "[ . 1]" 1 43 1 13 U H1' 1 13 U H2' 2.600 . 3.400 3.019 3.004 3.033 . 0 0 "[ . 1]" 1 44 1 13 U H1' 1 13 U H4' 2.600 . 3.400 3.127 2.883 3.380 . 0 0 "[ . 1]" 1 45 1 13 U H1' 1 13 U H3' 3.400 . 5.000 3.982 3.961 4.015 . 0 0 "[ . 1]" 1 46 1 19 U H1' 1 19 U H3' 2.600 . 3.400 3.895 3.876 3.907 0.507 3 2 "[ + . - 1]" 1 47 1 19 U H2' 1 19 U H3' 2.200 . 2.600 2.383 2.375 2.395 . 0 0 "[ . 1]" 1 48 1 19 U H3' 1 19 U H4' 2.200 . 2.600 2.982 2.976 2.992 0.392 4 0 "[ . 1]" 1 49 1 2 A H3' 1 2 A H8 2.600 . 3.400 3.201 2.665 3.377 . 0 0 "[ . 1]" 1 50 1 2 A H3' 1 2 A H4' 2.200 . 2.600 2.895 2.863 2.928 0.328 4 0 "[ . 1]" 1 51 1 2 A H2' 1 2 A H3' 2.600 . 3.400 2.326 2.311 2.346 . 0 0 "[ . 1]" 1 52 1 2 A H4' 1 2 A H8 2.600 . 3.400 4.053 3.836 4.162 0.762 5 8 "[*** +*** -]" 1 53 1 2 A H2' 1 2 A H8 2.600 . 3.400 3.819 3.747 3.965 0.565 3 1 "[ + . 1]" 1 54 1 5 G H3' 1 5 G H8 2.600 . 3.400 3.314 3.141 3.442 0.042 1 0 "[ . 1]" 1 55 1 7 A H2' 1 7 A H8 2.600 . 3.400 3.227 2.078 3.486 0.086 1 0 "[ . 1]" 1 56 1 7 A H3' 1 7 A H8 3.400 . 5.000 4.981 4.475 5.209 0.209 9 0 "[ . 1]" 1 57 1 7 A H4' 1 7 A H8 3.400 . 5.000 4.477 4.300 5.048 0.048 3 0 "[ . 1]" 1 58 1 8 G H3' 1 8 G H8 2.600 . 3.400 3.497 3.431 3.626 0.226 6 0 "[ . 1]" 1 59 1 10 C H2' 1 10 C H6 2.200 . 2.600 2.940 2.898 2.969 0.369 4 0 "[ . 1]" 1 60 1 18 U H3' 1 18 U H6 2.200 . 2.600 2.334 1.963 2.647 0.047 10 0 "[ . 1]" 1 61 1 11 A H1' 1 11 A H8 3.400 . 5.000 3.757 3.726 3.806 . 0 0 "[ . 1]" 1 62 1 11 A H2' 1 11 A H8 2.600 . 3.400 3.619 3.459 3.715 0.315 4 0 "[ . 1]" 1 63 1 11 A H3' 1 11 A H8 2.600 . 3.400 2.749 2.667 3.017 . 0 0 "[ . 1]" 1 64 1 13 U H2' 1 13 U H6 2.200 . 2.600 2.387 2.061 2.715 0.115 8 0 "[ . 1]" 1 65 1 13 U H3' 1 13 U H6 2.600 . 3.400 3.472 3.400 3.514 0.114 4 0 "[ . 1]" 1 66 1 14 G H1' 1 14 G H8 2.600 . 3.400 3.811 3.805 3.818 0.418 5 0 "[ . 1]" 1 67 1 14 G H1' 1 14 G H2' 2.600 . 3.400 2.795 2.773 2.820 . 0 0 "[ . 1]" 1 68 1 14 G H1' 1 14 G H4' 2.600 . 3.400 3.230 3.174 3.328 . 0 0 "[ . 1]" 1 69 1 15 A H2' 1 15 A H8 2.600 . 3.400 3.873 3.833 4.040 0.640 6 1 "[ .+ 1]" 1 70 1 15 A H4' 1 15 A H8 3.400 . 5.000 4.078 4.021 4.131 . 0 0 "[ . 1]" 1 71 1 16 G H1' 1 16 G H2' 3.400 . 5.000 2.764 2.755 2.777 . 0 0 "[ . 1]" 1 72 1 17 G H1' 1 17 G H8 3.400 . 5.000 3.784 3.739 3.847 . 0 0 "[ . 1]" 1 73 1 17 G H4' 1 17 G H8 3.400 . 5.000 4.689 4.603 4.768 . 0 0 "[ . 1]" 1 74 1 18 U H2' 1 18 U H6 2.600 . 3.400 3.453 2.893 3.648 0.248 4 0 "[ . 1]" 1 75 1 19 U H2' 1 19 U H6 2.600 . 3.400 3.438 3.388 3.483 0.083 9 0 "[ . 1]" 1 76 1 19 U H3' 1 19 U H6 2.600 . 3.400 2.316 2.217 2.388 . 0 0 "[ . 1]" 1 77 1 19 U H2' 1 19 U H4' 2.600 . 3.400 3.843 3.813 3.862 0.462 1 0 "[ . 1]" 1 78 1 6 U H2' 1 6 U H6 2.600 . 3.400 3.552 3.529 3.571 0.171 9 0 "[ . 1]" 1 79 1 6 U H3' 1 6 U H6 2.600 . 3.400 2.569 2.410 2.826 . 0 0 "[ . 1]" 1 80 1 12 A H3' 1 12 A H8 2.600 . 3.400 3.443 3.347 3.493 0.093 8 0 "[ . 1]" 1 81 1 3 U H5 1 3 U H6 2.200 . 2.600 2.381 2.371 2.386 . 0 0 "[ . 1]" 1 82 1 4 C H5 1 4 C H6 2.200 . 2.600 2.413 2.407 2.423 . 0 0 "[ . 1]" 1 83 1 10 C H5 1 10 C H6 2.600 . 3.400 2.441 2.437 2.447 . 0 0 "[ . 1]" 1 84 1 9 C H5 1 9 C H6 2.200 . 2.600 2.429 2.420 2.437 . 0 0 "[ . 1]" 1 85 1 18 U H5 1 18 U H6 2.200 . 2.600 2.386 2.374 2.400 . 0 0 "[ . 1]" 1 86 1 19 U H5 1 19 U H6 2.200 . 2.600 2.419 2.414 2.422 . 0 0 "[ . 1]" 1 87 1 5 G H2' 1 6 U H6 2.600 . 3.400 2.394 2.366 2.463 . 0 0 "[ . 1]" 1 88 1 5 G H2' 1 5 G H3' 2.200 . 2.600 2.409 2.391 2.420 . 0 0 "[ . 1]" 1 89 1 6 U H2' 1 6 U H3' 2.600 . 3.400 2.369 2.345 2.381 . 0 0 "[ . 1]" 1 90 1 7 A H2' 1 7 A H4' 2.600 . 3.400 3.712 3.669 3.737 0.337 1 0 "[ . 1]" 1 91 1 7 A H2' 1 7 A H3' 2.200 . 2.600 2.431 2.406 2.484 . 0 0 "[ . 1]" 1 92 1 8 G H2' 1 8 G H8 3.400 . 5.000 3.802 3.693 3.930 . 0 0 "[ . 1]" 1 93 1 11 A H1' 1 11 A H2' 2.600 . 3.400 2.775 2.763 2.817 . 0 0 "[ . 1]" 1 94 1 12 A H2' 1 12 A H8 2.600 . 3.400 3.651 3.510 3.773 0.373 6 0 "[ . 1]" 1 95 1 13 U H2' 1 13 U H3' 2.200 . 2.600 2.324 2.305 2.349 . 0 0 "[ . 1]" 1 96 1 14 G H2' 1 14 G H8 2.600 . 3.400 2.824 2.636 3.104 . 0 0 "[ . 1]" 1 97 1 14 G H2' 1 14 G H4' 2.600 . 3.400 3.731 3.707 3.758 0.358 7 0 "[ . 1]" 1 98 1 17 G H2' 1 17 G H8 2.600 . 3.400 3.178 2.927 3.337 . 0 0 "[ . 1]" 1 99 1 17 G H2' 1 17 G H4' 2.600 . 3.400 3.715 3.658 3.771 0.371 6 0 "[ . 1]" 1 100 1 18 U H2' 1 19 U H6 2.600 . 3.400 2.979 2.636 3.388 . 0 0 "[ . 1]" 1 101 1 4 C H2' 1 4 C H6 3.400 . 5.000 4.051 3.983 4.203 . 0 0 "[ . 1]" 1 102 1 9 C H1' 1 9 C H2' 2.600 . 3.400 2.886 2.855 2.902 . 0 0 "[ . 1]" 1 103 1 3 U H3' 1 3 U H6 2.600 . 3.400 3.267 3.181 3.353 . 0 0 "[ . 1]" 1 104 1 3 U H2' 1 3 U H3' 2.200 . 2.600 2.424 2.414 2.432 . 0 0 "[ . 1]" 1 105 1 7 A H1' 1 7 A H3' 3.400 . 5.000 3.797 3.705 3.869 . 0 0 "[ . 1]" 1 106 1 7 A H3' 1 7 A H4' 2.200 . 2.600 2.622 2.608 2.653 0.053 8 0 "[ . 1]" 1 107 1 13 U H3' 1 13 U H4' 2.600 . 3.400 2.865 2.786 2.940 . 0 0 "[ . 1]" 1 108 1 17 G H3' 1 17 G H8 3.400 . 5.000 5.080 5.007 5.128 0.128 8 0 "[ . 1]" 1 109 1 17 G H2' 1 17 G H3' 2.200 . 2.600 2.429 2.403 2.463 . 0 0 "[ . 1]" 1 110 1 6 U H3' 1 6 U H4' 2.600 . 3.400 2.982 2.958 2.998 . 0 0 "[ . 1]" 1 111 1 6 U H1' 1 6 U H3' 3.400 . 5.000 3.908 3.861 3.964 . 0 0 "[ . 1]" 1 112 1 11 A H1' 1 11 A H3' 3.400 . 5.000 3.971 3.937 4.036 . 0 0 "[ . 1]" 1 113 1 11 A H2' 1 11 A H3' 2.600 . 3.400 2.354 2.327 2.383 . 0 0 "[ . 1]" 1 114 1 19 U H4' 1 19 U H6 2.600 . 3.400 3.756 3.738 3.787 0.387 4 0 "[ . 1]" 1 115 1 18 U H4' 1 18 U H6 3.400 . 5.000 3.993 3.857 4.071 . 0 0 "[ . 1]" 1 116 1 18 U H2' 1 18 U H4' 2.600 . 3.400 3.709 3.668 3.751 0.351 8 0 "[ . 1]" 1 117 1 15 A H1' 1 15 A H4' 3.400 . 5.000 3.640 3.611 3.686 . 0 0 "[ . 1]" 1 118 1 14 G Q5' 1 14 G H8 3.400 . 5.000 3.357 3.005 3.573 . 0 0 "[ . 1]" 1 119 1 8 G H4' 1 8 G H8 3.400 . 5.000 4.449 4.327 4.528 . 0 0 "[ . 1]" 1 120 1 6 U H5 1 6 U H6 2.200 . 2.600 2.389 2.386 2.394 . 0 0 "[ . 1]" 1 121 1 13 U H5 1 13 U H6 2.200 . 2.600 2.366 2.347 2.382 . 0 0 "[ . 1]" 1 122 1 11 A H4' 1 11 A H8 2.600 . 3.400 3.921 3.864 4.132 0.732 9 2 "[ . -+1]" 1 123 1 12 A H2' 1 13 U H6 2.600 . 3.400 3.446 3.420 3.488 0.088 4 0 "[ . 1]" 1 124 1 2 A H8 1 19 U H1' 2.600 . 3.400 36.362 31.240 40.370 36.970 9 10 [********+-] 1 125 1 2 A H8 1 3 U H5 3.400 . 5.000 4.254 4.047 4.371 . 0 0 "[ . 1]" 1 126 1 2 A H2' 1 3 U H6 2.200 . 2.600 2.008 1.981 2.030 . 0 0 "[ . 1]" 1 127 1 14 G H1' 1 15 A H8 3.400 . 5.000 4.359 4.081 4.629 . 0 0 "[ . 1]" 1 128 1 15 A H3' 1 15 A H8 2.600 . 3.400 2.608 2.494 2.804 . 0 0 "[ . 1]" 1 129 1 4 C H1' 1 5 G H8 3.400 . 5.000 4.657 4.589 4.739 . 0 0 "[ . 1]" 1 130 1 17 G H8 1 18 U H5 3.400 . 5.000 4.890 4.639 5.122 0.122 9 0 "[ . 1]" 1 131 1 14 G H3' 1 14 G H8 2.600 . 3.400 2.165 2.081 2.263 . 0 0 "[ . 1]" 1 132 1 7 A H2' 1 8 G H8 3.400 . 5.000 4.995 4.680 5.155 0.155 4 0 "[ . 1]" 1 133 1 13 U H2' 1 13 U H5 2.600 . 3.400 4.134 3.848 4.446 1.046 8 6 "[* - .**+*1]" 1 134 1 8 G H2' 1 9 C H6 2.600 . 3.400 2.355 2.282 2.417 . 0 0 "[ . 1]" 1 135 1 15 A H3' 1 16 G H8 2.600 . 3.400 2.160 2.109 2.195 . 0 0 "[ . 1]" 1 136 1 15 A H1' 1 15 A H3' 3.400 . 5.000 3.840 3.818 3.864 . 0 0 "[ . 1]" 1 137 1 15 A H2' 1 15 A H3' 2.200 . 2.600 2.384 2.372 2.394 . 0 0 "[ . 1]" 1 138 1 15 A H2' 1 15 A H4' 2.600 . 3.400 3.755 3.728 3.783 0.383 6 0 "[ . 1]" 1 139 1 7 A H3' 1 8 G H8 2.600 . 3.400 3.360 2.650 3.643 0.243 1 0 "[ . 1]" 1 140 1 15 A H2' 1 16 G H8 3.400 . 5.000 2.928 2.746 3.093 . 0 0 "[ . 1]" 1 141 1 16 G H2' 1 16 G H8 3.400 . 5.000 4.330 4.290 4.370 . 0 0 "[ . 1]" 1 142 1 18 U H2' 1 18 U H3' 2.200 . 2.600 2.383 2.362 2.412 . 0 0 "[ . 1]" 1 143 1 3 U H3' 1 4 C H6 2.200 . 2.600 2.691 2.516 2.822 0.222 5 0 "[ . 1]" 1 144 1 10 C H3' 1 10 C H6 2.200 . 2.600 2.623 2.524 2.672 0.072 9 0 "[ . 1]" 1 145 1 13 U H3' 1 13 U Q5' . . 2.600 2.209 2.161 2.274 . 0 0 "[ . 1]" 1 146 1 5 G H2' 1 6 U H5 2.600 . 3.400 3.474 3.438 3.528 0.128 1 0 "[ . 1]" 1 147 1 9 C H2' 1 10 C H5 3.400 . 3.400 2.913 2.310 3.286 . 0 0 "[ . 1]" 1 148 1 18 U H3' 1 18 U H5 3.400 . 5.000 4.346 4.150 4.559 . 0 0 "[ . 1]" 1 149 1 18 U H3' 1 18 U H4' 2.200 . 2.600 2.958 2.946 2.973 0.373 9 0 "[ . 1]" 1 150 1 12 A H2' 1 12 A H3' 2.600 . 3.400 2.342 2.325 2.353 . 0 0 "[ . 1]" 1 151 1 11 A H2' 1 12 A H8 2.600 . 3.400 2.672 2.499 2.801 . 0 0 "[ . 1]" 1 152 1 3 U H2' 1 4 C H5 2.600 . 3.400 3.347 3.252 3.449 0.049 4 0 "[ . 1]" 1 153 1 9 C H2' 1 10 C H6 2.600 . 3.400 2.491 2.357 2.593 . 0 0 "[ . 1]" 1 154 1 9 C H2' 1 9 C H6 3.400 . 5.000 3.835 3.766 3.944 . 0 0 "[ . 1]" 1 155 1 3 U H2' 1 3 U H6 3.400 . 5.000 4.217 4.134 4.263 . 0 0 "[ . 1]" 1 156 1 4 C H2' 1 5 G H8 2.600 . 3.400 2.117 2.036 2.213 . 0 0 "[ . 1]" 1 157 1 10 C H2' 1 11 A H8 2.600 . 3.400 2.281 2.221 2.350 . 0 0 "[ . 1]" 1 158 1 17 G H2' 1 18 U H6 2.600 . 3.400 3.203 2.905 3.506 0.106 7 0 "[ . 1]" 1 159 1 2 A H2' 1 3 U H5 2.600 . 3.400 3.388 3.019 3.496 0.096 4 0 "[ . 1]" 1 160 1 2 A H2' 1 3 U H1' 3.400 . 5.000 3.497 3.355 3.775 . 0 0 "[ . 1]" 1 161 1 17 G H2' 1 18 U H5 3.400 . 5.000 2.334 2.193 2.605 . 0 0 "[ . 1]" 1 162 1 8 G H2' 1 9 C H5 2.600 . 3.400 3.347 3.089 3.484 0.084 6 0 "[ . 1]" 1 163 1 14 G H3' 1 14 G H4' 2.600 . 3.400 3.002 2.993 3.009 . 0 0 "[ . 1]" 1 164 1 14 G H1' 1 14 G H3' 3.400 . 5.000 3.861 3.841 3.880 . 0 0 "[ . 1]" 1 165 1 2 A H3' 1 3 U H6 2.600 . 3.400 3.018 2.914 3.225 . 0 0 "[ . 1]" 1 166 1 2 A H3' 1 3 U H5 2.600 . 3.400 3.536 3.469 3.590 0.190 1 0 "[ . 1]" 1 167 1 8 G H3' 1 9 C H6 3.400 . 5.000 2.286 2.186 2.376 . 0 0 "[ . 1]" 1 168 1 8 G H3' 1 9 C H5 3.400 . 5.000 3.209 3.039 3.579 . 0 0 "[ . 1]" 1 169 1 8 G H2' 1 8 G H3' 2.600 . 3.400 2.356 2.329 2.381 . 0 0 "[ . 1]" 1 170 1 8 G H3' 1 8 G H4' 2.200 . 2.600 2.972 2.934 2.995 0.395 3 0 "[ . 1]" 1 171 1 11 A H3' 1 12 A H8 2.600 . 3.400 3.509 3.427 3.587 0.187 6 0 "[ . 1]" 1 172 1 11 A H3' 1 11 A H4' 2.200 . 2.600 2.909 2.877 2.929 0.329 3 0 "[ . 1]" 1 173 1 4 C H3' 1 4 C H6 2.600 . 3.400 2.797 2.666 3.064 . 0 0 "[ . 1]" 1 174 1 4 C H3' 1 5 G H8 3.400 . 5.000 2.952 2.745 3.027 . 0 0 "[ . 1]" 1 175 1 4 C H1' 1 4 C H3' 2.600 . 3.400 3.728 3.708 3.750 0.350 6 0 "[ . 1]" 1 176 1 4 C H2' 1 4 C H3' 2.600 . 3.400 2.416 2.409 2.431 . 0 0 "[ . 1]" 1 177 1 16 G H3' 1 17 G H8 3.400 . 5.000 2.235 2.153 2.384 . 0 0 "[ . 1]" 1 178 1 16 G H3' 1 16 G H8 2.600 . 3.400 3.411 3.345 3.445 0.045 10 0 "[ . 1]" 1 179 1 16 G H3' 1 17 G H2' 3.400 . 5.000 5.038 4.888 5.184 0.184 1 0 "[ . 1]" 1 180 1 10 C H3' 1 11 A H8 2.600 . 3.400 3.501 3.478 3.516 0.116 3 0 "[ . 1]" 1 181 1 9 C H1' 1 9 C H3' 2.600 . 3.400 3.828 3.792 3.864 0.464 6 0 "[ . 1]" 1 182 1 10 C H1' 1 10 C H3' 3.400 . 5.000 3.933 3.915 3.962 . 0 0 "[ . 1]" 1 183 1 10 C H3' 1 10 C H5 3.400 . 5.000 4.762 4.672 4.843 . 0 0 "[ . 1]" 1 184 1 5 G H3' 1 6 U H5 2.600 . 3.400 2.402 2.311 2.473 . 0 0 "[ . 1]" 1 185 1 17 G H3' 1 18 U H6 2.600 . 3.400 2.654 1.908 3.403 0.003 8 0 "[ . 1]" 1 186 1 17 G H3' 1 18 U H5 2.600 . 3.400 3.259 2.874 3.589 0.189 1 0 "[ . 1]" 1 187 1 17 G H3' 1 17 G H4' 2.200 . 2.600 2.668 2.632 2.695 0.095 6 0 "[ . 1]" 1 188 1 5 G H3' 1 6 U H6 2.600 . 3.400 2.585 2.431 2.701 . 0 0 "[ . 1]" 1 189 1 12 A H3' 1 12 A H4' 2.600 . 3.400 3.005 2.977 3.023 . 0 0 "[ . 1]" 1 190 1 12 A H3' 1 13 U H6 3.400 . 5.000 4.184 4.049 4.423 . 0 0 "[ . 1]" 1 191 1 19 U H4' 1 19 U H5'' 2.600 . 2.600 2.332 2.183 2.842 0.242 3 0 "[ . 1]" 1 192 1 4 C H1' 1 4 C H4' 3.400 . 5.000 3.398 3.373 3.435 . 0 0 "[ . 1]" 1 193 1 3 U H1' 1 3 U H4' 3.400 . 5.000 3.445 3.386 3.578 . 0 0 "[ . 1]" 1 194 1 9 C H1' 1 9 C H4' 3.400 . 5.000 2.960 2.867 3.218 . 0 0 "[ . 1]" 1 195 1 4 C H4' 1 4 C H6 3.400 . 5.000 4.058 4.033 4.115 . 0 0 "[ . 1]" 1 196 1 10 C H1' 1 10 C H4' 3.400 . 3.400 3.068 3.007 3.148 . 0 0 "[ . 1]" 1 197 1 10 C H4' 1 10 C H6 3.400 . 5.000 4.237 4.191 4.288 . 0 0 "[ . 1]" 1 198 1 16 G H4' 1 16 G H8 3.400 . 5.000 4.370 4.333 4.404 . 0 0 "[ . 1]" 1 199 1 11 A H1' 1 11 A H4' 3.400 . 5.000 3.620 3.572 3.657 . 0 0 "[ . 1]" 1 200 1 7 A H4' 1 7 A H5'' 2.200 . 2.600 2.626 2.535 2.662 0.062 9 0 "[ . 1]" 1 201 1 7 A H4' 1 7 A H5' 2.600 . 3.400 2.246 2.230 2.299 . 0 0 "[ . 1]" 1 202 1 7 A H4' 1 8 G H8 3.400 . 5.000 3.319 2.155 5.118 0.118 9 0 "[ . 1]" 1 203 1 5 G H1' 1 5 G H4' 3.400 . 5.000 3.359 3.320 3.418 . 0 0 "[ . 1]" 1 204 1 18 U H5' 1 18 U H6 2.600 . 3.400 3.194 2.306 3.622 0.222 6 0 "[ . 1]" 1 205 1 18 U H5'' 1 18 U H6 3.400 . 5.000 4.103 3.878 4.420 . 0 0 "[ . 1]" 1 206 1 18 U H4' 1 18 U H5' 2.200 . 2.600 2.687 2.505 2.971 0.371 5 0 "[ . 1]" 1 207 1 18 U H4' 1 18 U H5'' 2.200 . 2.600 2.295 2.203 2.351 . 0 0 "[ . 1]" 1 208 1 4 C H1' 1 4 C H5'' 3.400 . 5.000 4.763 4.549 5.200 0.200 6 0 "[ . 1]" 1 209 1 9 C H5'' 1 9 C H6 3.400 . 5.000 4.541 4.147 4.855 . 0 0 "[ . 1]" 1 210 1 9 C H5' 1 9 C H6 3.400 . 5.000 3.963 2.535 4.432 . 0 0 "[ . 1]" 1 211 1 4 C H5'' 1 4 C H6 3.400 . 5.000 3.574 3.238 4.160 . 0 0 "[ . 1]" 1 212 1 4 C H5' 1 4 C H6 3.400 . 5.000 3.814 3.190 4.087 . 0 0 "[ . 1]" 1 213 1 17 G H5'' 1 17 G H8 3.400 . 5.000 4.519 4.368 4.798 . 0 0 "[ . 1]" 1 214 1 17 G H5' 1 17 G H8 3.400 . 5.000 4.604 4.429 4.880 . 0 0 "[ . 1]" 1 215 1 5 G H5'' 1 5 G H8 3.400 . 5.000 3.955 3.533 4.383 . 0 0 "[ . 1]" 1 216 1 5 G H5' 1 5 G H8 3.400 . 5.000 4.179 3.932 4.361 . 0 0 "[ . 1]" 1 217 1 5 G H1' 1 5 G H5'' 3.400 . 5.000 4.818 4.619 5.155 0.155 3 0 "[ . 1]" 1 218 1 6 U H5'' 1 6 U H6 3.400 . 5.000 3.186 2.916 3.818 . 0 0 "[ . 1]" 1 219 1 6 U H5' 1 6 U H6 3.400 . 5.000 3.658 2.869 3.914 . 0 0 "[ . 1]" 1 220 1 2 A H5'' 1 2 A H8 3.400 . 5.000 3.483 2.158 3.890 . 0 0 "[ . 1]" 1 221 1 2 A H5' 1 2 A H8 3.400 . 5.000 2.178 2.057 2.369 . 0 0 "[ . 1]" 1 222 1 2 A H4' 1 2 A H5'' 2.200 . 2.600 2.458 2.242 2.767 0.167 4 0 "[ . 1]" 1 223 1 2 A H4' 1 2 A H5' 2.600 . 3.400 2.959 2.837 2.998 . 0 0 "[ . 1]" 1 224 1 2 A H3' 1 2 A H5'' 2.600 . 3.400 2.834 2.630 3.385 . 0 0 "[ . 1]" 1 225 1 2 A H1' 1 2 A H5' 3.400 . 5.000 4.521 4.426 4.826 . 0 0 "[ . 1]" 1 226 1 2 A H1' 1 2 A H5'' 3.400 . 5.000 4.994 4.279 5.192 0.192 10 0 "[ . 1]" 1 227 1 8 G H5'' 1 8 G H8 3.400 . 5.000 4.209 3.532 4.633 . 0 0 "[ . 1]" 1 228 1 8 G H5' 1 8 G H8 3.400 . 5.000 4.393 3.722 4.694 . 0 0 "[ . 1]" 1 229 1 8 G H4' 1 8 G H5'' 2.200 . 2.600 2.424 2.290 2.548 . 0 0 "[ . 1]" 1 230 1 19 U H3' 1 19 U H5'' 2.600 . 3.400 3.252 2.235 3.444 0.044 7 0 "[ . 1]" 1 231 1 19 U H3' 1 19 U H5' 2.600 . 3.400 2.516 2.232 3.526 0.126 9 0 "[ . 1]" 1 232 1 19 U H5'' 1 19 U H6 3.400 . 5.000 3.499 2.442 3.809 . 0 0 "[ . 1]" 1 233 1 19 U H5' 1 19 U H6 3.400 . 5.000 2.641 2.148 3.766 . 0 0 "[ . 1]" 1 234 1 19 U H1' 1 19 U H5' 3.400 . 5.000 4.867 4.646 5.090 0.090 3 0 "[ . 1]" 1 235 1 19 U H1' 1 19 U H5'' 3.400 . 5.000 5.032 4.367 5.179 0.179 4 0 "[ . 1]" 1 236 1 16 G H5'' 1 16 G H8 3.400 . 5.000 4.054 3.829 4.215 . 0 0 "[ . 1]" 1 237 1 16 G H5' 1 16 G H8 3.400 . 5.000 4.070 3.876 4.265 . 0 0 "[ . 1]" 1 238 1 15 A H5'' 1 15 A H8 3.400 . 5.000 3.933 3.853 4.025 . 0 0 "[ . 1]" 1 239 1 15 A H5' 1 15 A H8 3.400 . 5.000 2.546 2.458 2.675 . 0 0 "[ . 1]" 1 240 1 13 U Q5' 1 13 U H6 3.400 . 5.000 3.649 3.419 3.915 . 0 0 "[ . 1]" 1 241 1 13 U H4' 1 13 U Q5' 2.200 . 2.600 2.125 2.121 2.128 . 0 0 "[ . 1]" 1 242 1 11 A H5'' 1 11 A H8 3.400 . 5.000 2.890 2.647 3.737 . 0 0 "[ . 1]" 1 243 1 11 A H5' 1 11 A H8 3.400 . 5.000 2.010 1.979 2.067 . 0 0 "[ . 1]" 1 244 1 3 U H5'' 1 3 U H6 3.400 . 5.000 3.924 3.562 4.123 . 0 0 "[ . 1]" 1 245 1 3 U H5' 1 3 U H6 3.400 . 5.000 3.353 2.106 4.097 . 0 0 "[ . 1]" 1 246 1 6 U H1' 1 6 U H5 3.400 . 5.000 5.278 5.268 5.288 0.288 2 0 "[ . 1]" 1 247 1 18 U H1' 1 18 U H5 3.400 . 5.000 5.301 5.267 5.349 0.349 8 0 "[ . 1]" 1 248 1 13 U H1' 1 13 U H5 3.400 . 5.000 5.321 5.307 5.331 0.331 3 0 "[ . 1]" 1 249 1 3 U H5 1 4 C H5 3.400 . 5.000 4.411 4.235 4.701 . 0 0 "[ . 1]" 1 250 1 3 U H3' 1 4 C H5 3.400 . 5.000 2.813 2.599 2.996 . 0 0 "[ . 1]" 1 251 1 19 U H2' 1 19 U H5 3.400 . 5.000 5.024 5.006 5.051 0.051 9 0 "[ . 1]" 1 252 1 2 A H2 1 3 U H1' 2.600 . 3.400 3.314 3.018 3.413 0.013 4 0 "[ . 1]" 1 253 1 6 U H4' 1 7 A H8 3.400 . 5.000 4.867 4.218 5.110 0.110 5 0 "[ . 1]" 1 254 1 7 A H5'' 1 7 A H8 3.400 . 5.000 4.354 4.171 4.525 . 0 0 "[ . 1]" 1 255 1 6 U H2' 1 7 A H8 2.600 . 3.400 3.204 2.703 3.487 0.087 2 0 "[ . 1]" 1 256 1 8 G H1' 1 9 C H6 3.400 . 5.000 5.048 5.012 5.108 0.108 2 0 "[ . 1]" 1 257 1 8 G H4' 1 9 C H6 3.400 . 5.000 5.085 5.043 5.157 0.157 10 0 "[ . 1]" 1 258 1 17 G H1' 1 18 U H6 3.400 . 5.000 5.198 5.007 5.370 0.370 10 0 "[ . 1]" 1 259 1 9 C H1' 1 10 C H6 3.400 . 5.000 5.290 5.244 5.329 0.329 9 0 "[ . 1]" 1 260 1 3 U H2' 1 4 C H6 2.600 . 3.400 2.196 2.048 2.351 . 0 0 "[ . 1]" 1 261 1 11 A H1' 1 12 A H8 3.400 . 5.000 5.113 5.010 5.191 0.191 9 0 "[ . 1]" 1 262 1 10 C H1' 1 11 A H8 3.400 . 5.000 5.069 5.038 5.098 0.098 1 0 "[ . 1]" 1 263 1 14 G H4' 1 14 G H8 3.400 . 5.000 4.443 4.356 4.523 . 0 0 "[ . 1]" 1 264 1 15 A H4' 1 16 G H8 3.400 . 5.000 5.075 5.006 5.119 0.119 4 0 "[ . 1]" 1 265 1 5 G H4' 1 5 G H8 3.400 . 5.000 4.362 4.281 4.403 . 0 0 "[ . 1]" 1 266 1 5 G H2' 1 5 G H8 3.400 . 5.000 4.224 4.200 4.257 . 0 0 "[ . 1]" 1 267 1 18 U H3' 1 19 U H6 3.400 . 5.000 4.256 3.764 4.816 . 0 0 "[ . 1]" 1 268 1 8 G H8 1 9 C H5 3.400 . 5.000 2.696 2.547 2.861 . 0 0 "[ . 1]" 1 269 1 3 U H1' 1 4 C H6 3.400 . 5.000 4.851 4.707 5.011 0.011 5 0 "[ . 1]" 1 270 1 13 U H4' 1 13 U H6 3.400 . 5.000 4.337 4.266 4.385 . 0 0 "[ . 1]" 1 271 1 12 A H1' 1 13 U H4' 3.400 . 5.000 5.079 5.017 5.123 0.123 3 0 "[ . 1]" 1 272 1 16 G H1' 1 16 G H3' 2.600 . 3.400 3.783 3.760 3.800 0.400 7 0 "[ . 1]" 1 273 1 5 G H1' 1 6 U H6 3.400 . 5.000 5.043 5.024 5.066 0.066 2 0 "[ . 1]" 1 274 1 15 A H1' 1 16 G H8 3.400 . 5.000 5.027 4.872 5.104 0.104 1 0 "[ . 1]" 1 275 1 6 U H2' 1 6 U H5 3.400 . 5.000 5.067 5.043 5.104 0.104 9 0 "[ . 1]" 1 276 1 14 G H4' 1 14 G H5' 2.600 . 3.400 2.800 2.209 3.022 . 0 0 "[ . 1]" 1 277 1 2 A H1' 1 3 U H6 3.400 . 5.000 4.743 4.591 4.797 . 0 0 "[ . 1]" 1 278 1 6 U H4' 1 6 U H6 2.600 . 3.400 3.806 3.769 3.852 0.452 1 0 "[ . 1]" 1 279 1 14 G H3' 1 14 G H5' 2.600 . 3.400 2.612 2.293 3.559 0.159 3 0 "[ . 1]" 1 280 1 7 A H3' 1 7 A H5' 2.600 . 3.400 3.510 3.483 3.572 0.172 1 0 "[ . 1]" 1 281 1 7 A H3' 1 7 A H5'' 2.600 . 3.400 2.244 2.215 2.294 . 0 0 "[ . 1]" 1 282 1 14 G H2' 1 15 A H8 3.400 . 5.000 3.002 2.815 3.288 . 0 0 "[ . 1]" 1 283 1 3 U H3' 1 3 U H5 3.400 . 5.000 5.003 4.950 5.039 0.039 5 0 "[ . 1]" 1 284 1 16 G H4' 1 17 G H8 3.400 . 5.000 5.075 5.017 5.135 0.135 7 0 "[ . 1]" 1 285 1 12 A H2' 1 13 U H1' 2.600 . 3.400 3.506 3.471 3.567 0.167 2 0 "[ . 1]" 1 286 1 3 U H4' 1 3 U H5' 2.600 . 3.400 2.710 2.202 3.015 . 0 0 "[ . 1]" 1 287 1 3 U H5' 1 3 U H5'' 2.600 . 2.600 1.776 1.773 1.778 0.027 10 0 "[ . 1]" 1 288 1 2 A H3' 1 3 U H5' 3.400 . 5.000 4.739 3.614 5.159 0.159 5 0 "[ . 1]" 1 289 1 3 U H1' 1 3 U H5'' 3.400 . 5.000 5.043 4.987 5.191 0.191 10 0 "[ . 1]" 1 290 1 3 U H4' 1 3 U H5'' 2.600 . 3.400 2.366 2.195 2.779 . 0 0 "[ . 1]" 1 291 1 19 U H5' 1 19 U H5'' 2.200 . 2.600 1.773 1.771 1.776 0.029 7 0 "[ . 1]" 1 292 1 13 U H5' 1 13 U H5'' 2.200 . 2.600 1.773 1.771 1.774 0.029 8 0 "[ . 1]" 1 293 1 2 A H3' 1 2 A H5' 2.600 . 3.400 2.436 2.169 2.583 . 0 0 "[ . 1]" 1 294 1 2 A H5' 1 2 A H5'' 2.600 . 3.400 1.772 1.769 1.777 0.031 2 0 "[ . 1]" 1 295 1 15 A H2' 1 15 A H5' 3.400 . 5.000 4.428 4.403 4.459 . 0 0 "[ . 1]" 1 296 1 15 A H4' 1 15 A H5'' 2.200 . 2.600 2.181 2.177 2.185 . 0 0 "[ . 1]" 1 297 1 15 A H4' 1 15 A H5' 2.200 . 2.600 2.842 2.825 2.858 0.258 4 0 "[ . 1]" 1 298 1 15 A H3' 1 15 A H5'' 2.600 . 3.400 3.434 3.399 3.462 0.062 3 0 "[ . 1]" 1 299 1 15 A H3' 1 15 A H5' 3.400 . 5.000 2.238 2.227 2.264 . 0 0 "[ . 1]" 1 300 1 7 A H1' 1 7 A H5' 3.400 . 5.000 4.856 4.803 4.890 . 0 0 "[ . 1]" 1 301 1 15 A H2' 1 16 G H4' 3.400 . 5.000 3.413 3.282 3.604 . 0 0 "[ . 1]" 1 302 1 9 C H5 1 10 C H5 3.400 . 5.000 3.847 3.548 4.228 . 0 0 "[ . 1]" 1 303 1 5 G H8 1 6 U H5 3.400 . 5.000 3.634 3.429 3.775 . 0 0 "[ . 1]" 1 304 1 11 A H2 1 12 A H1' 3.400 . 5.000 5.066 5.005 5.123 0.123 4 0 "[ . 1]" 1 305 1 12 A H2 1 13 U H1' 3.400 . 5.000 3.479 3.131 3.957 . 0 0 "[ . 1]" 1 306 1 2 A Q6 1 3 U H3 3.400 . 5.000 3.825 3.593 3.983 . 0 0 "[ . 1]" 1 307 1 3 U H3 1 4 C Q4 3.400 . 5.000 3.263 3.110 3.475 . 0 0 "[ . 1]" 1 308 2 1 G H1' 2 1 G Q5' 3.400 . 5.000 4.136 4.059 4.306 . 0 0 "[ . 1]" 1 309 2 1 G H1' 2 1 G H4' 2.600 . 3.400 3.383 3.256 3.439 0.039 3 0 "[ . 1]" 1 310 2 1 G H1' 2 1 G H8 2.600 . 3.400 3.606 3.561 3.675 0.275 8 0 "[ . 1]" 1 311 2 1 G H1' 2 1 G H3' 2.600 . 3.400 3.806 3.779 3.846 0.446 5 0 "[ . 1]" 1 312 2 1 G H1' 2 1 G H2' 2.600 . 3.400 2.794 2.780 2.818 . 0 0 "[ . 1]" 1 313 2 1 G H2' 2 1 G H3' 2.600 . 3.400 2.376 2.355 2.391 . 0 0 "[ . 1]" 1 314 2 1 G H2' 2 1 G H4' 3.400 . 5.000 3.817 3.761 3.865 . 0 0 "[ . 1]" 1 315 2 1 G H2' 2 1 G H8 3.400 . 5.000 4.133 3.968 4.267 . 0 0 "[ . 1]" 1 316 2 1 G H3' 2 1 G Q5' 2.600 . 2.600 2.289 2.231 2.378 . 0 0 "[ . 1]" 1 317 2 1 G H3' 2 1 G H4' 2.600 . 3.400 3.003 2.990 3.016 . 0 0 "[ . 1]" 1 318 2 1 G H3' 2 1 G H8 2.600 . 3.400 3.211 2.857 3.436 0.036 5 0 "[ . 1]" 1 319 2 1 G H4' 2 1 G H8 3.400 . 5.000 4.299 4.200 4.419 . 0 0 "[ . 1]" 1 320 2 1 G Q5' 2 1 G H8 2.600 . 3.400 2.579 2.300 2.963 . 0 0 "[ . 1]" 1 321 2 1 G H1' 2 2 C H6 3.400 . 5.000 4.683 4.615 4.758 . 0 0 "[ . 1]" 1 322 2 1 G H2' 2 2 C H1' 3.400 . 5.000 3.663 3.602 3.776 . 0 0 "[ . 1]" 1 323 2 1 G H2' 2 2 C H5' 3.400 . 5.000 3.225 2.480 4.121 . 0 0 "[ . 1]" 1 324 2 1 G H2' 2 2 C H5'' 3.400 . 5.000 3.538 2.627 4.120 . 0 0 "[ . 1]" 1 325 2 1 G H2' 2 2 C H5 2.600 . 3.400 3.680 3.635 3.719 0.319 10 0 "[ . 1]" 1 326 2 1 G H2' 2 2 C H6 2.600 . 3.400 2.093 2.055 2.143 . 0 0 "[ . 1]" 1 327 2 1 G H3' 2 2 C H5 2.600 . 3.400 2.946 2.647 3.258 . 0 0 "[ . 1]" 1 328 2 1 G H3' 2 2 C H6 2.600 . 3.400 2.646 2.352 2.890 . 0 0 "[ . 1]" 1 329 2 1 G H2' 2 2 C H4' 2.600 . 3.400 3.828 3.813 3.853 0.453 2 0 "[ . 1]" 1 330 2 1 G H8 2 2 C H5 3.400 . 5.000 3.482 3.121 3.764 . 0 0 "[ . 1]" 1 331 2 2 C H1' 2 2 C H2' 2.600 . 3.400 2.785 2.767 2.809 . 0 0 "[ . 1]" 1 332 2 2 C H1' 2 2 C H4' 3.400 . 5.000 3.297 3.247 3.342 . 0 0 "[ . 1]" 1 333 2 2 C H1' 2 2 C H3' 2.600 . 3.400 3.832 3.806 3.864 0.464 3 0 "[ . 1]" 1 334 2 2 C H2' 2 2 C H6 3.400 . 5.000 3.678 3.641 3.734 . 0 0 "[ . 1]" 1 335 2 2 C H3' 2 2 C H6 2.600 . 3.400 2.820 2.641 2.982 . 0 0 "[ . 1]" 1 336 2 2 C H2' 2 2 C H3' 2.600 . 3.400 2.316 2.301 2.330 . 0 0 "[ . 1]" 1 337 2 2 C H4' 2 2 C H5'' 2.200 . 2.600 2.399 2.352 2.468 . 0 0 "[ . 1]" 1 338 2 2 C H3' 2 2 C H4' 2.200 . 2.600 2.952 2.941 2.962 0.362 2 0 "[ . 1]" 1 339 2 2 C H2' 2 2 C H4' 2.600 . 3.400 3.753 3.732 3.777 0.377 10 0 "[ . 1]" 1 340 2 2 C H4' 2 2 C H5' 2.200 . 2.600 2.442 2.373 2.494 . 0 0 "[ . 1]" 1 341 2 2 C H2' 2 2 C H5 3.400 . 5.000 5.244 5.217 5.273 0.273 10 0 "[ . 1]" 1 342 2 2 C H3' 2 2 C H5 3.400 . 5.000 4.819 4.663 5.008 0.008 3 0 "[ . 1]" 1 343 2 2 C H5'' 2 2 C H6 3.400 . 5.000 3.841 3.479 4.084 . 0 0 "[ . 1]" 1 344 2 2 C H4' 2 2 C H6 3.400 . 5.000 4.003 3.958 4.056 . 0 0 "[ . 1]" 1 345 2 2 C H5' 2 2 C H6 3.400 . 5.000 3.687 3.305 4.062 . 0 0 "[ . 1]" 1 346 2 2 C H5 2 2 C H6 2.200 . 2.600 2.410 2.403 2.414 . 0 0 "[ . 1]" 1 347 2 2 C H1' 2 2 C H6 3.400 . 5.000 3.530 3.508 3.564 . 0 0 "[ . 1]" 1 348 2 2 C H1' 2 3 C H6 3.400 . 5.000 4.957 4.873 5.084 0.084 7 0 "[ . 1]" 1 349 2 2 C H2' 2 3 C H6 2.200 . 2.600 2.252 2.117 2.395 . 0 0 "[ . 1]" 1 350 2 2 C H2' 2 3 C H5 3.400 . 5.000 3.543 2.948 4.050 . 0 0 "[ . 1]" 1 351 2 2 C H3' 2 3 C H6 2.600 . 3.400 2.623 2.404 2.937 . 0 0 "[ . 1]" 1 352 2 2 C H4' 2 3 C H6 3.400 . 5.000 5.080 4.947 5.153 0.153 3 0 "[ . 1]" 1 353 2 2 C H6 2 3 C H5 3.400 . 5.000 3.950 3.747 4.142 . 0 0 "[ . 1]" 1 354 2 2 C H3' 2 3 C H5 3.400 . 5.000 3.350 3.046 3.936 . 0 0 "[ . 1]" 1 355 2 3 C H1' 2 3 C H4' 2.600 . 3.400 3.445 3.364 3.559 0.159 1 0 "[ . 1]" 1 356 2 3 C H1' 2 3 C H6 3.400 . 5.000 3.540 3.423 3.603 . 0 0 "[ . 1]" 1 357 2 3 C H1' 2 3 C H2' 2.600 . 3.400 2.760 2.737 2.780 . 0 0 "[ . 1]" 1 358 2 3 C H1' 2 3 C H3' 3.400 . 5.000 3.734 3.714 3.759 . 0 0 "[ . 1]" 1 359 2 3 C H2' 2 3 C H6 3.400 . 5.000 4.008 3.843 4.268 . 0 0 "[ . 1]" 1 360 2 3 C H2' 2 3 C H3' 2.200 . 2.600 2.452 2.444 2.464 . 0 0 "[ . 1]" 1 361 2 3 C H3' 2 3 C H6 2.600 . 3.400 2.638 2.414 3.035 . 0 0 "[ . 1]" 1 362 2 3 C H5 2 3 C H6 2.200 . 2.600 2.427 2.425 2.429 . 0 0 "[ . 1]" 1 363 2 3 C H3' 2 3 C H5 3.400 . 5.000 4.184 4.074 4.372 . 0 0 "[ . 1]" 1 364 2 3 C H4' 2 3 C H6 3.400 . 5.000 4.038 3.976 4.104 . 0 0 "[ . 1]" 1 365 2 3 C H1' 2 4 G H8 3.400 . 5.000 4.709 4.593 4.886 . 0 0 "[ . 1]" 1 366 2 3 C H4' 2 4 G H8 3.400 . 5.000 5.242 5.167 5.310 0.310 5 0 "[ . 1]" 1 367 2 3 C H2' 2 4 G H8 2.600 . 3.400 2.422 2.218 2.696 . 0 0 "[ . 1]" 1 368 2 3 C H3' 2 4 G H8 3.400 . 5.000 2.593 2.455 2.746 . 0 0 "[ . 1]" 1 369 2 4 G H1' 2 4 G H2' 2.600 . 3.400 2.845 2.804 2.882 . 0 0 "[ . 1]" 1 370 2 4 G H1' 2 4 G H3' 3.400 . 5.000 3.948 3.912 3.988 . 0 0 "[ . 1]" 1 371 2 4 G H1' 2 4 G H8 2.600 . 3.400 3.634 3.586 3.683 0.283 10 0 "[ . 1]" 1 372 2 4 G H1' 2 4 G H4' 2.600 . 3.400 3.307 3.100 3.396 . 0 0 "[ . 1]" 1 373 2 4 G H2' 2 4 G H3' 2.200 . 2.600 2.333 2.311 2.359 . 0 0 "[ . 1]" 1 374 2 4 G H4' 2 4 G H5' 2.200 . 2.600 2.387 2.297 2.483 . 0 0 "[ . 1]" 1 375 2 4 G H4' 2 4 G H5'' 2.200 . 2.600 2.479 2.373 2.600 . 0 0 "[ . 1]" 1 376 2 4 G H2' 2 4 G H8 2.600 . 3.400 3.813 3.674 4.024 0.624 2 1 "[ + . 1]" 1 377 2 4 G H5'' 2 4 G H8 3.400 . 5.000 4.007 3.399 4.446 . 0 0 "[ . 1]" 1 378 2 4 G H3' 2 4 G H8 2.600 . 3.400 3.426 3.283 3.533 0.133 6 0 "[ . 1]" 1 379 2 4 G H1' 2 5 A H8 3.400 . 5.000 5.114 5.073 5.167 0.167 5 0 "[ . 1]" 1 380 2 4 G H2' 2 5 A H8 3.400 . 5.000 3.444 3.013 3.777 . 0 0 "[ . 1]" 1 381 2 5 A H1' 2 5 A H3' 3.400 . 5.000 3.997 3.980 4.018 . 0 0 "[ . 1]" 1 382 2 5 A H1' 2 5 A H5'' 3.400 . 5.000 4.509 4.398 5.017 0.017 5 0 "[ . 1]" 1 383 2 5 A H2' 2 5 A H3' 2.600 . 3.400 2.321 2.313 2.327 . 0 0 "[ . 1]" 1 384 2 5 A H1' 2 5 A H2' 2.600 . 3.400 2.934 2.916 2.963 . 0 0 "[ . 1]" 1 385 2 5 A H4' 2 5 A H5' 2.200 . 2.600 2.329 2.242 2.543 . 0 0 "[ . 1]" 1 386 2 5 A H3' 2 5 A H4' 2.600 . 3.400 2.974 2.951 2.996 . 0 0 "[ . 1]" 1 387 2 5 A H1' 2 5 A H4' 2.600 . 3.400 3.129 3.060 3.251 . 0 0 "[ . 1]" 1 388 2 5 A H2' 2 5 A H4' 3.400 . 5.000 3.915 3.890 3.949 . 0 0 "[ . 1]" 1 389 2 5 A H4' 2 5 A H8 3.400 . 5.000 4.551 4.497 4.628 . 0 0 "[ . 1]" 1 390 2 5 A H4' 2 5 A H5'' 2.600 . 3.400 2.534 2.318 2.643 . 0 0 "[ . 1]" 1 391 2 5 A H2' 2 5 A H8 2.600 . 3.400 3.375 3.273 3.453 0.053 2 0 "[ . 1]" 1 392 2 5 A H3' 2 5 A H8 3.400 . 5.000 3.442 3.258 3.764 . 0 0 "[ . 1]" 1 393 2 5 A H5' 2 5 A H8 3.400 . 5.000 4.634 3.985 4.862 . 0 0 "[ . 1]" 1 394 2 5 A H1' 2 5 A H8 3.400 . 5.000 3.820 3.773 3.845 . 0 0 "[ . 1]" 1 395 2 5 A H1' 2 6 G H8 3.400 . 5.000 5.160 5.082 5.212 0.212 3 0 "[ . 1]" 1 396 2 5 A H2' 2 6 G H8 3.400 . 5.000 4.757 4.598 4.948 . 0 0 "[ . 1]" 1 397 2 5 A H3' 2 6 G H8 3.400 . 5.000 4.563 4.449 4.657 . 0 0 "[ . 1]" 1 398 2 6 G H2' 2 6 G H8 3.400 . 5.000 3.848 3.769 3.900 . 0 0 "[ . 1]" 1 399 2 6 G H2' 2 6 G H3' 3.400 . 5.000 2.329 2.316 2.357 . 0 0 "[ . 1]" 1 400 2 6 G H4' 2 6 G H5'' 2.600 . 3.400 2.432 2.244 2.683 . 0 0 "[ . 1]" 1 401 2 6 G H3' 2 6 G H4' 2.600 . 3.400 2.989 2.943 3.018 . 0 0 "[ . 1]" 1 402 2 6 G H4' 2 6 G H8 3.400 . 5.000 4.482 4.451 4.508 . 0 0 "[ . 1]" 1 403 2 6 G H5'' 2 6 G H8 3.400 . 5.000 4.750 4.451 4.923 . 0 0 "[ . 1]" 1 404 2 6 G H5' 2 6 G H8 3.400 . 5.000 3.862 3.336 4.543 . 0 0 "[ . 1]" 1 405 2 6 G H1' 2 6 G H8 3.400 . 5.000 3.635 3.583 3.700 . 0 0 "[ . 1]" 1 406 2 6 G H3' 2 6 G H8 3.400 . 5.000 3.853 3.422 4.296 . 0 0 "[ . 1]" 1 407 2 6 G H1' 2 7 G H8 3.400 . 5.000 5.083 4.973 5.151 0.151 4 0 "[ . 1]" 1 408 2 6 G H2' 2 7 G H8 2.600 . 3.400 2.391 2.226 2.584 . 0 0 "[ . 1]" 1 409 2 6 G H4' 2 7 G H8 3.400 . 5.000 5.236 5.165 5.297 0.297 10 0 "[ . 1]" 1 410 2 6 G H2' 2 7 G H1' 3.400 . 5.000 3.844 3.560 4.183 . 0 0 "[ . 1]" 1 411 2 6 G H3' 2 7 G H8 3.400 . 5.000 2.480 2.317 2.597 . 0 0 "[ . 1]" 1 412 2 7 G H1' 2 7 G H4' 3.400 . 5.000 3.074 2.986 3.178 . 0 0 "[ . 1]" 1 413 2 7 G H1' 2 7 G H3' 3.400 . 5.000 3.873 3.822 3.929 . 0 0 "[ . 1]" 1 414 2 7 G H1' 2 7 G H8 3.400 . 5.000 3.853 3.830 3.880 . 0 0 "[ . 1]" 1 415 2 7 G H1' 2 7 G H2' 2.600 . 3.400 2.838 2.812 2.859 . 0 0 "[ . 1]" 1 416 2 7 G H2' 2 7 G H8 2.600 . 3.400 3.422 3.347 3.483 0.083 4 0 "[ . 1]" 1 417 2 7 G H3' 2 7 G H8 3.400 . 5.000 2.784 2.515 3.090 . 0 0 "[ . 1]" 1 418 2 7 G H5' 2 7 G H8 3.400 . 5.000 4.222 2.952 5.005 0.005 10 0 "[ . 1]" 1 419 2 7 G H5'' 2 7 G H8 3.400 . 5.000 4.507 4.216 4.691 . 0 0 "[ . 1]" 1 420 2 7 G H2' 2 8 C H6 2.600 . 3.400 2.156 2.035 2.315 . 0 0 "[ . 1]" 1 421 2 7 G H2' 2 8 C H5 3.400 . 5.000 2.698 2.434 2.935 . 0 0 "[ . 1]" 1 422 2 7 G H3' 2 8 C H5 3.400 . 5.000 3.240 3.085 3.362 . 0 0 "[ . 1]" 1 423 2 7 G H3' 2 8 C H6 2.600 . 3.400 3.411 3.261 3.455 0.055 1 0 "[ . 1]" 1 424 2 7 G H4' 2 8 C H6 3.400 . 5.000 5.120 5.073 5.166 0.166 8 0 "[ . 1]" 1 425 2 7 G H2' 2 8 C H1' 3.400 . 5.000 4.360 4.074 4.637 . 0 0 "[ . 1]" 1 426 2 7 G H1' 2 8 C H6 3.400 . 5.000 4.855 4.774 4.928 . 0 0 "[ . 1]" 1 427 2 8 C H1' 2 8 C H6 3.400 . 5.000 3.540 3.527 3.554 . 0 0 "[ . 1]" 1 428 2 8 C H1' 2 8 C H3' 3.400 . 5.000 3.841 3.807 3.860 . 0 0 "[ . 1]" 1 429 2 8 C H1' 2 8 C H2' 2.600 . 3.400 2.779 2.769 2.796 . 0 0 "[ . 1]" 1 430 2 8 C H2' 2 8 C H6 3.400 . 5.000 3.785 3.752 3.814 . 0 0 "[ . 1]" 1 431 2 8 C H2' 2 8 C H3' 2.600 . 3.400 2.419 2.410 2.431 . 0 0 "[ . 1]" 1 432 2 8 C H4' 2 8 C H6 2.600 . 3.400 3.822 3.795 3.863 0.463 6 0 "[ . 1]" 1 433 2 8 C H3' 2 8 C H6 2.600 . 3.400 2.562 2.466 2.658 . 0 0 "[ . 1]" 1 434 2 8 C H5 2 8 C H6 2.600 . 3.400 2.449 2.444 2.453 . 0 0 "[ . 1]" 1 435 2 8 C H5'' 2 8 C H6 3.400 . 5.000 3.536 2.976 3.864 . 0 0 "[ . 1]" 1 436 2 8 C H5' 2 8 C H6 3.400 . 5.000 3.392 2.969 3.892 . 0 0 "[ . 1]" 1 437 2 8 C H1' 2 9 G H8 3.400 . 5.000 4.840 4.698 4.986 . 0 0 "[ . 1]" 1 438 2 8 C H2' 2 9 G H8 2.600 . 3.400 2.157 2.103 2.255 . 0 0 "[ . 1]" 1 439 2 8 C H3' 2 9 G H8 2.600 . 3.400 3.379 3.196 3.464 0.064 3 0 "[ . 1]" 1 440 2 9 G H1' 2 9 G H8 3.400 . 5.000 3.648 3.635 3.661 . 0 0 "[ . 1]" 1 441 2 9 G H1' 2 9 G H3' 3.400 . 5.000 3.845 3.793 3.903 . 0 0 "[ . 1]" 1 442 2 9 G H1' 2 9 G H4' 3.400 . 5.000 3.388 3.322 3.456 . 0 0 "[ . 1]" 1 443 2 9 G H1' 2 9 G H2' 2.600 . 3.400 2.809 2.792 2.830 . 0 0 "[ . 1]" 1 444 2 9 G H2' 2 9 G H8 3.400 . 5.000 4.157 4.080 4.230 . 0 0 "[ . 1]" 1 445 2 9 G H3' 2 9 G H8 2.600 . 3.400 3.247 3.051 3.416 0.016 9 0 "[ . 1]" 1 446 2 9 G H5'' 2 9 G H8 3.400 . 5.000 4.074 3.704 4.368 . 0 0 "[ . 1]" 1 447 2 9 G H5' 2 9 G H8 3.400 . 5.000 3.966 3.588 4.314 . 0 0 "[ . 1]" 1 448 2 9 G H1' 2 10 C H6 3.400 . 5.000 4.911 4.734 5.063 0.063 6 0 "[ . 1]" 1 449 2 9 G H2' 2 10 C H6 2.600 . 3.400 2.397 2.263 2.525 . 0 0 "[ . 1]" 1 450 2 9 G H2' 2 10 C H5 3.400 . 5.000 3.832 3.702 3.997 . 0 0 "[ . 1]" 1 451 2 9 G H2' 2 10 C H1' 3.400 . 5.000 3.425 3.357 3.477 . 0 0 "[ . 1]" 1 452 2 9 G H3' 2 10 C H1' 3.400 . 5.000 5.149 5.108 5.196 0.196 3 0 "[ . 1]" 1 453 2 9 G H3' 2 10 C H6 2.600 . 3.400 2.181 2.074 2.309 . 0 0 "[ . 1]" 1 454 2 9 G H3' 2 10 C H5 3.400 . 5.000 2.786 2.519 3.151 . 0 0 "[ . 1]" 1 455 2 9 G H8 2 10 C H5 3.400 . 5.000 3.131 3.075 3.188 . 0 0 "[ . 1]" 1 456 2 10 C H1' 2 10 C H2' 2.600 . 3.400 2.833 2.825 2.841 . 0 0 "[ . 1]" 1 457 2 10 C H1' 2 10 C H4' 3.400 . 5.000 3.444 3.388 3.498 . 0 0 "[ . 1]" 1 458 2 10 C H1' 2 10 C H5'' 3.400 . 5.000 4.977 4.593 5.189 0.189 4 0 "[ . 1]" 1 459 2 10 C H1' 2 10 C H6 3.400 . 5.000 3.446 3.432 3.469 . 0 0 "[ . 1]" 1 460 2 10 C H1' 2 10 C H3' 3.400 . 5.000 3.801 3.759 3.873 . 0 0 "[ . 1]" 1 461 2 10 C H2' 2 10 C H6 3.400 . 5.000 4.033 3.969 4.082 . 0 0 "[ . 1]" 1 462 2 10 C H2' 2 10 C H3' 2.600 . 3.400 2.403 2.373 2.424 . 0 0 "[ . 1]" 1 463 2 10 C H3' 2 10 C H6 2.600 . 3.400 2.897 2.736 3.114 . 0 0 "[ . 1]" 1 464 2 10 C H4' 2 10 C H5' 2.600 . 3.400 2.521 2.324 2.669 . 0 0 "[ . 1]" 1 465 2 10 C H4' 2 10 C H5'' 2.600 . 3.400 2.320 2.226 2.490 . 0 0 "[ . 1]" 1 466 2 10 C H3' 2 10 C H4' 2.600 . 3.400 2.985 2.967 2.997 . 0 0 "[ . 1]" 1 467 2 10 C H5' 2 10 C H6 2.600 . 3.400 3.648 3.456 4.098 0.698 3 2 "[ -+ . 1]" 1 468 2 10 C H2' 2 10 C H5 3.400 . 5.000 5.443 5.426 5.460 0.460 1 0 "[ . 1]" 1 469 2 10 C H3' 2 10 C H5 3.400 . 5.000 4.594 4.431 4.819 . 0 0 "[ . 1]" 1 470 2 10 C H5 2 10 C H6 2.200 . 2.600 2.429 2.419 2.438 . 0 0 "[ . 1]" 1 471 2 10 C H5'' 2 10 C H6 3.400 . 5.000 3.938 3.439 4.130 . 0 0 "[ . 1]" 1 472 2 10 C H4' 2 10 C H6 3.400 . 5.000 4.087 4.042 4.115 . 0 0 "[ . 1]" 1 473 2 10 C H1' 2 11 G H8 3.400 . 5.000 4.725 4.631 4.877 . 0 0 "[ . 1]" 1 474 2 10 C H2' 2 11 G H8 2.600 . 3.400 2.120 2.041 2.272 . 0 0 "[ . 1]" 1 475 2 10 C H4' 2 11 G H8 3.400 . 5.000 5.087 5.050 5.151 0.151 4 0 "[ . 1]" 1 476 2 10 C H2' 2 11 G H1' 3.400 . 5.000 3.256 2.890 3.685 . 0 0 "[ . 1]" 1 477 2 10 C H3' 2 11 G H8 3.400 . 5.000 2.593 2.345 2.762 . 0 0 "[ . 1]" 1 478 2 11 G H1' 2 11 G H3' 3.400 . 5.000 3.789 3.740 3.854 . 0 0 "[ . 1]" 1 479 2 11 G H1' 2 11 G H8 3.400 . 5.000 3.509 3.442 3.580 . 0 0 "[ . 1]" 1 480 2 11 G H1' 2 11 G H2' 2.600 . 3.400 2.765 2.729 2.796 . 0 0 "[ . 1]" 1 481 2 11 G H1' 2 11 G H4' 3.400 . 5.000 3.472 3.303 3.665 . 0 0 "[ . 1]" 1 482 2 11 G H3' 2 11 G H4' 2.200 . 2.600 2.963 2.950 2.973 0.373 5 0 "[ . 1]" 1 483 2 11 G H4' 2 11 G H8 3.400 . 5.000 4.368 4.224 4.472 . 0 0 "[ . 1]" 1 484 2 11 G H2' 2 11 G H4' 2.600 . 3.400 3.703 3.671 3.752 0.352 8 0 "[ . 1]" 1 485 2 11 G H5'' 2 11 G H8 3.400 . 5.000 4.071 3.802 4.482 . 0 0 "[ . 1]" 1 486 2 11 G H3' 2 11 G H8 2.600 . 3.400 3.469 3.399 3.567 0.167 7 0 "[ . 1]" 1 487 2 11 G H5' 2 11 G H8 3.400 . 5.000 3.855 2.277 4.382 . 0 0 "[ . 1]" 1 488 2 11 G H2' 2 11 G H8 3.400 . 5.000 4.434 4.312 4.551 . 0 0 "[ . 1]" 1 489 2 11 G H1' 2 12 A H8 3.400 . 5.000 4.803 4.674 4.973 . 0 0 "[ . 1]" 1 490 2 11 G H4' 2 12 A H8 3.400 . 5.000 5.004 4.830 5.167 0.167 1 0 "[ . 1]" 1 491 2 11 G H2' 2 12 A H1' 3.400 . 5.000 3.778 2.825 4.481 . 0 0 "[ . 1]" 1 492 2 11 G H2' 2 12 A H8 2.600 . 3.400 2.308 2.139 2.662 . 0 0 "[ . 1]" 1 493 2 12 A H1' 2 12 A H4' 3.400 . 5.000 3.688 3.623 3.773 . 0 0 "[ . 1]" 1 494 2 12 A H1' 2 12 A H8 3.400 . 5.000 3.572 3.479 3.661 . 0 0 "[ . 1]" 1 495 2 12 A H1' 2 12 A H3' 3.400 . 5.000 3.822 3.772 3.905 . 0 0 "[ . 1]" 1 496 2 12 A H1' 2 12 A H2' 2.600 . 3.400 2.738 2.728 2.746 . 0 0 "[ . 1]" 1 497 2 12 A H2' 2 12 A H3' 2.200 . 2.600 2.422 2.385 2.449 . 0 0 "[ . 1]" 1 498 2 12 A H2' 2 12 A H8 3.400 . 5.000 4.363 4.248 4.477 . 0 0 "[ . 1]" 1 499 2 12 A H4' 2 12 A H5'' 2.200 . 2.600 2.427 2.151 2.586 . 0 0 "[ . 1]" 1 500 2 12 A H3' 2 12 A H4' 2.200 . 2.600 2.938 2.894 2.961 0.361 3 0 "[ . 1]" 1 501 2 12 A H4' 2 12 A H5' 2.200 . 2.600 2.523 2.245 2.964 0.364 1 0 "[ . 1]" 1 502 2 12 A H5' 2 12 A H8 3.400 . 5.000 3.434 2.008 4.071 . 0 0 "[ . 1]" 1 503 2 12 A H5'' 2 12 A H8 3.400 . 5.000 3.526 2.877 4.092 . 0 0 "[ . 1]" 1 504 2 12 A H4' 2 12 A H8 3.400 . 5.000 4.212 4.108 4.372 . 0 0 "[ . 1]" 1 505 2 12 A H3' 2 12 A H8 2.600 . 3.400 3.340 3.021 3.706 0.306 1 0 "[ . 1]" 1 506 2 12 A H1' 2 13 U H6 3.400 . 5.000 4.937 4.803 5.106 0.106 7 0 "[ . 1]" 1 507 2 12 A H2' 2 13 U H6 2.600 . 3.400 2.434 2.213 2.863 . 0 0 "[ . 1]" 1 508 2 12 A H2' 2 13 U H5 3.400 . 5.000 3.941 3.506 4.519 . 0 0 "[ . 1]" 1 509 2 12 A H2 2 13 U H1' 3.400 . 3.400 3.494 3.385 3.597 0.197 6 0 "[ . 1]" 1 510 2 12 A H3' 2 13 U H5 3.400 . 5.000 3.116 2.824 3.460 . 0 0 "[ . 1]" 1 511 2 12 A H3' 2 13 U H6 2.600 . 3.400 2.622 2.023 3.110 . 0 0 "[ . 1]" 1 512 2 12 A H8 2 13 U H5 3.400 . 5.000 4.263 4.045 4.387 . 0 0 "[ . 1]" 1 513 2 13 U H1' 2 13 U H6 3.400 . 5.000 3.507 3.425 3.563 . 0 0 "[ . 1]" 1 514 2 13 U H1' 2 13 U H2' 2.600 . 3.400 2.809 2.738 2.894 . 0 0 "[ . 1]" 1 515 2 13 U H1' 2 13 U H4' 2.600 . 3.400 3.215 2.837 3.521 0.121 3 0 "[ . 1]" 1 516 2 13 U H1' 2 13 U H3' 3.400 . 5.000 3.821 3.784 3.863 . 0 0 "[ . 1]" 1 517 2 13 U H1' 2 13 U H5'' 3.400 . 5.000 4.682 4.396 5.204 0.204 6 0 "[ . 1]" 1 518 2 13 U H2' 2 13 U H3' 2.600 . 3.400 2.411 2.378 2.434 . 0 0 "[ . 1]" 1 519 2 13 U H2' 2 13 U H6 3.400 . 5.000 3.878 3.823 3.963 . 0 0 "[ . 1]" 1 520 2 13 U H3' 2 13 U H5 3.400 . 5.000 4.560 4.125 5.150 0.150 10 0 "[ . 1]" 1 521 2 13 U H3' 2 13 U H6 2.600 . 3.400 2.822 2.428 3.349 . 0 0 "[ . 1]" 1 522 2 13 U H4' 2 13 U H5' 2.200 . 2.600 2.414 2.217 2.649 0.049 3 0 "[ . 1]" 1 523 2 13 U H4' 2 13 U H6 2.600 . 3.400 3.976 3.764 4.241 0.841 10 4 "[- *. * +]" 1 524 2 13 U H2' 2 13 U H4' 2.600 . 3.400 3.661 3.637 3.698 0.298 3 0 "[ . 1]" 1 525 2 13 U H4' 2 13 U H5'' 2.200 . 2.600 2.441 2.195 2.585 . 0 0 "[ . 1]" 1 526 2 13 U H2' 2 13 U H5'' 3.400 . 5.000 5.259 4.987 5.373 0.373 10 0 "[ . 1]" 1 527 2 13 U H5 2 13 U H6 2.200 . 2.600 2.409 2.395 2.419 . 0 0 "[ . 1]" 1 528 2 13 U H5'' 2 13 U H6 3.400 . 5.000 3.672 3.005 4.713 . 0 0 "[ . 1]" 1 529 2 13 U H2' 2 14 C H1' 3.400 . 5.000 4.612 4.276 5.009 0.009 7 0 "[ . 1]" 1 530 2 13 U H2' 2 14 C H5' 3.400 . 5.000 4.147 3.172 4.853 . 0 0 "[ . 1]" 1 531 2 13 U H2' 2 14 C H5 3.400 . 5.000 3.571 2.993 4.039 . 0 0 "[ . 1]" 1 532 2 13 U H3' 2 14 C H6 3.400 . 5.000 3.477 3.314 3.770 . 0 0 "[ . 1]" 1 533 2 13 U H2' 2 14 C H6 2.600 . 3.400 2.350 2.208 2.494 . 0 0 "[ . 1]" 1 534 2 13 U H1' 2 14 C H6 3.400 . 5.000 5.023 4.918 5.064 0.064 9 0 "[ . 1]" 1 535 2 14 C H1' 2 14 C H6 3.400 . 5.000 3.593 3.571 3.641 . 0 0 "[ . 1]" 1 536 2 14 C H2' 2 14 C H3' 2.200 . 2.600 2.339 2.329 2.353 . 0 0 "[ . 1]" 1 537 2 14 C H2' 2 14 C H4' 3.400 . 5.000 3.871 3.820 3.909 . 0 0 "[ . 1]" 1 538 2 14 C H2' 2 14 C H5 3.400 . 5.000 4.996 4.872 5.029 0.029 2 0 "[ . 1]" 1 539 2 14 C H1' 2 14 C H2' 2.600 . 3.400 2.900 2.874 2.937 . 0 0 "[ . 1]" 1 540 2 14 C H1' 2 14 C H3' 3.400 . 5.000 3.958 3.927 3.987 . 0 0 "[ . 1]" 1 541 2 14 C H3' 2 14 C H5'' 2.600 . 3.400 3.147 2.398 3.708 0.308 6 0 "[ . 1]" 1 542 2 14 C H3' 2 14 C H5' 3.400 . 5.000 3.159 2.427 3.729 . 0 0 "[ . 1]" 1 543 2 14 C H4' 2 14 C H5' 2.200 . 2.600 2.421 2.247 2.670 0.070 10 0 "[ . 1]" 1 544 2 14 C H1' 2 14 C H4' 2.600 . 3.400 3.147 3.012 3.235 . 0 0 "[ . 1]" 1 545 2 14 C H3' 2 14 C H4' 2.600 . 3.400 2.991 2.972 3.010 . 0 0 "[ . 1]" 1 546 2 14 C H4' 2 14 C H5'' 2.600 . 3.400 2.457 2.246 2.669 . 0 0 "[ . 1]" 1 547 2 14 C H4' 2 14 C H6 3.400 . 5.000 4.226 4.164 4.315 . 0 0 "[ . 1]" 1 548 2 14 C H5 2 14 C H6 2.200 . 2.600 2.430 2.425 2.436 . 0 0 "[ . 1]" 1 549 2 14 C H2' 2 14 C H6 2.600 . 3.400 3.485 3.356 3.544 0.144 9 0 "[ . 1]" 1 550 2 14 C H5'' 2 14 C H6 3.400 . 5.000 4.037 3.776 4.518 . 0 0 "[ . 1]" 1 551 2 14 C H5' 2 14 C H6 3.400 . 5.000 4.122 3.849 4.429 . 0 0 "[ . 1]" 1 552 2 14 C H3' 2 14 C H6 2.600 . 3.400 3.159 3.002 3.327 . 0 0 "[ . 1]" 1 553 2 8 C H2' 2 8 C H4' 3.400 . 5.000 3.764 3.724 3.790 . 0 0 "[ . 1]" 1 554 2 12 A Q6 2 13 U H3 3.400 . 5.000 3.667 3.479 3.867 . 0 0 "[ . 1]" 1 555 2 6 G H1 2 7 G H1 3.400 . 5.000 3.853 3.744 3.996 . 0 0 "[ . 1]" 1 556 2 13 U H6 2 14 C H5 5.000 4.000 6.000 4.359 4.127 4.743 . 0 0 "[ . 1]" 1 557 2 14 C H1' 2 14 C H5 5.000 4.000 6.000 5.329 5.317 5.371 . 0 0 "[ . 1]" 1 558 2 9 G H1' 2 10 C H5 5.000 4.000 6.000 5.296 5.175 5.423 . 0 0 "[ . 1]" 1 559 2 12 A H1' 2 13 U H5 5.000 4.000 6.000 5.599 5.268 6.046 0.046 10 0 "[ . 1]" 1 560 2 2 C H1' 2 3 C H5 5.000 4.000 6.000 5.645 5.305 5.956 . 0 0 "[ . 1]" 1 561 1 11 A H2 2 5 A H2 3.400 . 5.000 2.341 2.213 2.476 . 0 0 "[ . 1]" 1 562 1 11 A H1' 2 5 A H2 3.400 . 5.000 5.034 4.760 5.120 0.120 10 0 "[ . 1]" 1 563 1 11 A H2' 2 5 A H2 3.400 . 5.000 4.990 4.502 5.120 0.120 8 0 "[ . 1]" 1 564 1 12 A H2 2 5 A H2 3.400 . 5.000 3.592 3.139 4.274 . 0 0 "[ . 1]" 1 565 1 15 A H1' 2 5 A H2 3.400 . 5.000 5.089 5.055 5.137 0.137 7 0 "[ . 1]" 1 566 1 2 A H2 2 14 C H1' 3.400 . 5.000 3.992 3.585 4.328 . 0 0 "[ . 1]" 1 567 1 2 A H2 2 14 C H5 3.400 . 5.000 5.093 4.966 5.148 0.148 5 0 "[ . 1]" 1 568 1 4 C H5 2 12 A H2 3.400 . 5.000 5.113 5.051 5.162 0.162 5 0 "[ . 1]" 1 569 1 4 C H1' 2 12 A H2 3.400 . 5.000 3.620 3.188 3.850 . 0 0 "[ . 1]" 1 570 1 2 A H2 2 13 U H1' 3.400 . 5.000 4.990 4.777 5.077 0.077 7 0 "[ . 1]" 1 571 1 2 A Q6 2 13 U H3 3.400 . 5.000 2.460 2.029 2.939 . 0 0 "[ . 1]" 1 572 1 3 U H3 2 12 A Q6 3.400 . 5.000 2.439 2.219 3.036 . 0 0 "[ . 1]" 1 573 1 3 U H3 2 11 G H1 3.400 . 5.000 4.508 4.375 4.629 . 0 0 "[ . 1]" 1 574 1 4 C Q4 2 11 G H1 3.400 . 5.000 2.418 2.394 2.436 . 0 0 "[ . 1]" 1 575 1 5 G H1 2 11 G H1 3.400 . 5.000 4.511 4.318 4.688 . 0 0 "[ . 1]" 1 576 1 5 G H1 2 10 C Q4 3.400 . 5.000 2.488 2.462 2.507 . 0 0 "[ . 1]" 1 577 1 5 G H1 2 9 G Q2 3.400 . 5.000 5.047 5.016 5.086 0.086 8 0 "[ . 1]" 1 578 1 6 U H3 2 9 G H1 3.400 . 5.000 2.822 2.409 3.062 . 0 0 "[ . 1]" 1 579 1 8 G H1 2 8 C Q4 3.400 . 5.000 2.459 2.427 2.488 . 0 0 "[ . 1]" 1 580 1 9 C Q4 2 7 G H1 3.400 . 5.000 2.454 2.405 2.503 . 0 0 "[ . 1]" 1 581 1 8 G H1 2 7 G H1 3.400 . 5.000 4.326 4.231 4.427 . 0 0 "[ . 1]" 1 582 1 10 C Q4 2 6 G H1 3.400 . 5.000 2.485 2.419 2.521 . 0 0 "[ . 1]" 1 583 1 16 G H1 2 3 C Q4 3.400 . 5.000 2.510 2.470 2.554 . 0 0 "[ . 1]" 1 584 1 17 G H1 2 2 C Q4 3.400 . 5.000 2.492 2.453 2.533 . 0 0 "[ . 1]" 1 585 1 14 G H1 2 5 A H8 3.400 . 5.000 5.233 5.204 5.270 0.270 5 0 "[ . 1]" 1 586 1 15 A H8 2 4 G H1 3.400 . 5.000 5.341 5.316 5.375 0.375 8 0 "[ . 1]" 1 587 1 6 U H1' 1 7 A H8 5.000 4.000 6.000 5.305 4.862 5.664 . 0 0 "[ . 1]" 1 588 1 8 G H1' 1 9 C H5 5.000 4.000 6.000 5.061 4.848 5.216 . 0 0 "[ . 1]" 1 589 1 2 A H1' 1 3 U H5 5.000 4.000 6.000 5.583 5.409 5.680 . 0 0 "[ . 1]" 1 590 1 7 A H1' 1 8 G H8 5.000 4.000 6.000 4.604 3.890 5.991 0.110 10 0 "[ . 1]" 1 591 1 10 C H6 1 11 A H8 5.000 4.000 6.000 3.981 3.891 4.072 0.109 1 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 86 _Distance_constraint_stats_list.Viol_count 537 _Distance_constraint_stats_list.Viol_total 241.789 _Distance_constraint_stats_list.Viol_max 0.235 _Distance_constraint_stats_list.Viol_rms 0.0454 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0281 _Distance_constraint_stats_list.Viol_average_violations_only 0.0450 _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 0.825 0.069 3 0 "[ . 1]" 1 2 A 1.522 0.115 9 0 "[ . 1]" 1 3 U 0.686 0.094 4 0 "[ . 1]" 1 4 C 1.242 0.108 9 0 "[ . 1]" 1 5 G 0.999 0.059 2 0 "[ . 1]" 1 6 U 0.053 0.031 1 0 "[ . 1]" 1 8 G 0.961 0.069 5 0 "[ . 1]" 1 9 C 1.188 0.092 2 0 "[ . 1]" 1 10 C 1.819 0.099 5 0 "[ . 1]" 1 14 G 6.688 0.235 10 0 "[ . 1]" 1 15 A 5.243 0.232 4 0 "[ . 1]" 1 16 G 1.510 0.080 6 0 "[ . 1]" 1 17 G 1.442 0.075 9 0 "[ . 1]" 2 2 C 1.442 0.075 9 0 "[ . 1]" 2 3 C 1.510 0.080 6 0 "[ . 1]" 2 4 G 5.243 0.232 4 0 "[ . 1]" 2 5 A 6.688 0.235 10 0 "[ . 1]" 2 6 G 1.819 0.099 5 0 "[ . 1]" 2 7 G 1.188 0.092 2 0 "[ . 1]" 2 8 C 0.961 0.069 5 0 "[ . 1]" 2 9 G 0.053 0.031 1 0 "[ . 1]" 2 10 C 0.999 0.059 2 0 "[ . 1]" 2 11 G 1.242 0.108 9 0 "[ . 1]" 2 12 A 0.686 0.094 4 0 "[ . 1]" 2 13 U 1.522 0.115 9 0 "[ . 1]" 2 14 C 0.825 0.069 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 10 C N3 2 6 G N1 2.950 2.940 2.960 2.918 2.898 2.934 0.042 5 0 "[ . 1]" 2 2 1 10 C N3 2 6 G H1 1.890 . 2.090 1.910 1.888 1.933 . 0 0 "[ . 1]" 2 3 1 10 C N4 2 6 G O6 2.910 2.900 2.920 2.856 2.801 2.900 0.099 5 0 "[ . 1]" 2 4 1 10 C O2 2 6 G N2 2.860 2.850 2.870 2.885 2.849 2.913 0.043 10 0 "[ . 1]" 2 5 1 10 C N3 2 6 G N2 3.650 3.640 3.660 3.678 3.644 3.692 0.032 10 0 "[ . 1]" 2 6 1 10 C O2 2 6 G O6 5.420 5.410 5.430 5.345 5.322 5.379 0.088 4 0 "[ . 1]" 2 7 1 10 C Q4 2 6 G O6 1.710 . 1.910 1.839 1.786 1.882 . 0 0 "[ . 1]" 2 8 1 10 C O2 2 6 G Q2 2.080 . 2.280 1.874 1.839 1.900 0.041 6 0 "[ . 1]" 2 9 1 9 C N3 2 7 G N1 2.950 2.940 2.960 2.981 2.957 3.004 0.044 5 0 "[ . 1]" 2 10 1 9 C N3 2 7 G H1 1.890 . 2.090 1.971 1.948 1.993 . 0 0 "[ . 1]" 2 11 1 9 C N4 2 7 G O6 2.910 2.900 2.920 2.923 2.881 2.940 0.020 5 0 "[ . 1]" 2 12 1 9 C O2 2 7 G N2 2.860 2.850 2.870 2.915 2.867 2.962 0.092 2 0 "[ . 1]" 2 13 1 9 C N3 2 7 G N2 3.650 3.640 3.660 3.676 3.658 3.692 0.032 10 0 "[ . 1]" 2 14 1 9 C O2 2 7 G O6 5.420 5.410 5.430 5.420 5.366 5.467 0.044 3 0 "[ . 1]" 2 15 1 9 C Q4 2 7 G O6 1.710 . 1.910 1.905 1.864 1.926 0.016 10 0 "[ . 1]" 2 16 1 9 C O2 2 7 G Q2 2.080 . 2.280 1.901 1.852 1.952 0.028 3 0 "[ . 1]" 2 17 1 4 C N3 2 11 G N1 2.950 2.940 2.960 2.948 2.925 2.966 0.015 1 0 "[ . 1]" 2 18 1 4 C N3 2 11 G H1 1.890 . 2.090 1.940 1.913 1.962 . 0 0 "[ . 1]" 2 19 1 4 C N4 2 11 G O6 2.910 2.900 2.920 2.860 2.819 2.910 0.081 6 0 "[ . 1]" 2 20 1 4 C O2 2 11 G N2 2.860 2.850 2.870 2.932 2.884 2.978 0.108 9 0 "[ . 1]" 2 21 1 4 C N3 2 11 G N2 3.650 3.640 3.660 3.653 3.614 3.679 0.026 7 0 "[ . 1]" 2 22 1 4 C O2 2 11 G O6 5.420 5.410 5.430 5.421 5.397 5.445 0.015 4 0 "[ . 1]" 2 23 1 4 C Q4 2 11 G O6 1.710 . 1.910 1.844 1.806 1.893 . 0 0 "[ . 1]" 2 24 1 4 C O2 2 11 G Q2 2.080 . 2.280 1.925 1.874 1.973 0.006 1 0 "[ . 1]" 2 25 1 17 G N1 2 2 C N3 2.950 2.940 2.960 2.949 2.939 2.962 0.002 9 0 "[ . 1]" 2 26 1 17 G H1 2 2 C N3 1.890 . 2.090 1.955 1.945 1.969 . 0 0 "[ . 1]" 2 27 1 17 G O6 2 2 C N4 2.910 2.900 2.920 2.951 2.904 2.990 0.070 9 0 "[ . 1]" 2 28 1 17 G N2 2 2 C O2 2.860 2.850 2.870 2.841 2.814 2.878 0.036 10 0 "[ . 1]" 2 29 1 17 G N2 2 2 C N3 3.650 3.640 3.660 3.647 3.624 3.671 0.016 10 0 "[ . 1]" 2 30 1 17 G O6 2 2 C O2 5.420 5.410 5.430 5.393 5.359 5.424 0.051 3 0 "[ . 1]" 2 31 1 17 G O6 2 2 C Q4 1.710 . 1.910 1.946 1.909 1.985 0.075 9 0 "[ . 1]" 2 32 1 17 G Q2 2 2 C O2 2.080 . 2.280 1.850 1.817 1.892 0.063 10 0 "[ . 1]" 2 33 1 16 G N1 2 3 C N3 2.950 2.940 2.960 2.962 2.938 2.982 0.022 10 0 "[ . 1]" 2 34 1 16 G H1 2 3 C N3 1.890 . 2.090 1.953 1.930 1.971 . 0 0 "[ . 1]" 2 35 1 16 G O6 2 3 C N4 2.910 2.900 2.920 2.932 2.904 2.957 0.037 4 0 "[ . 1]" 2 36 1 16 G N2 2 3 C O2 2.860 2.850 2.870 2.864 2.840 2.900 0.030 3 0 "[ . 1]" 2 37 1 16 G N2 2 3 C N3 3.650 3.640 3.660 3.684 3.666 3.701 0.041 6 0 "[ . 1]" 2 38 1 16 G O6 2 3 C O2 5.420 5.410 5.430 5.370 5.330 5.414 0.080 6 0 "[ . 1]" 2 39 1 16 G O6 2 3 C Q4 1.710 . 1.910 1.939 1.908 1.960 0.050 4 0 "[ . 1]" 2 40 1 16 G Q2 2 3 C O2 2.080 . 2.280 1.850 1.827 1.886 0.053 4 0 "[ . 1]" 2 41 1 8 G N1 2 8 C N3 2.950 2.940 2.960 2.946 2.931 2.966 0.009 5 0 "[ . 1]" 2 42 1 8 G H1 2 8 C N3 1.890 . 2.090 1.937 1.922 1.959 . 0 0 "[ . 1]" 2 43 1 8 G O6 2 8 C N4 2.910 2.900 2.920 2.905 2.881 2.935 0.019 9 0 "[ . 1]" 2 44 1 8 G N2 2 8 C O2 2.860 2.850 2.870 2.904 2.873 2.929 0.059 1 0 "[ . 1]" 2 45 1 8 G N2 2 8 C N3 3.650 3.640 3.660 3.664 3.634 3.686 0.026 8 0 "[ . 1]" 2 46 1 8 G O6 2 8 C O2 5.420 5.410 5.430 5.380 5.341 5.401 0.069 5 0 "[ . 1]" 2 47 1 8 G O6 2 8 C Q4 1.710 . 1.910 1.916 1.900 1.935 0.025 6 0 "[ . 1]" 2 48 1 8 G Q2 2 8 C O2 2.080 . 2.280 1.903 1.868 1.929 0.012 2 0 "[ . 1]" 2 49 1 5 G N1 2 10 C N3 2.950 2.940 2.960 2.959 2.936 2.972 0.012 1 0 "[ . 1]" 2 50 1 5 G H1 2 10 C N3 1.890 . 2.090 1.957 1.935 1.970 . 0 0 "[ . 1]" 2 51 1 5 G O6 2 10 C N4 2.910 2.900 2.920 2.915 2.871 2.941 0.029 2 0 "[ . 1]" 2 52 1 5 G N2 2 10 C O2 2.860 2.850 2.870 2.899 2.871 2.929 0.059 2 0 "[ . 1]" 2 53 1 5 G N2 2 10 C N3 3.650 3.640 3.660 3.675 3.663 3.695 0.035 6 0 "[ . 1]" 2 54 1 5 G O6 2 10 C O2 5.420 5.410 5.430 5.385 5.367 5.417 0.043 4 0 "[ . 1]" 2 55 1 5 G O6 2 10 C Q4 1.710 . 1.910 1.904 1.868 1.926 0.016 5 0 "[ . 1]" 2 56 1 5 G Q2 2 10 C O2 2.080 . 2.280 1.884 1.855 1.917 0.025 5 0 "[ . 1]" 2 57 1 1 G N1 2 14 C N3 2.950 2.940 2.960 2.938 2.930 2.956 0.010 6 0 "[ . 1]" 2 58 1 1 G H1 2 14 C N3 1.890 . 2.090 1.952 1.939 1.964 . 0 0 "[ . 1]" 2 59 1 1 G O6 2 14 C N4 2.910 2.900 2.920 2.895 2.851 2.928 0.049 3 0 "[ . 1]" 2 60 1 1 G N2 2 14 C O2 2.860 2.850 2.870 2.883 2.855 2.939 0.069 3 0 "[ . 1]" 2 61 1 1 G N2 2 14 C N3 3.650 3.640 3.660 3.624 3.593 3.656 0.047 2 0 "[ . 1]" 2 62 1 1 G O6 2 14 C O2 5.420 5.410 5.430 5.426 5.382 5.467 0.037 8 0 "[ . 1]" 2 63 1 1 G O6 2 14 C Q4 1.710 . 1.910 1.900 1.875 1.926 0.016 10 0 "[ . 1]" 2 64 1 1 G Q2 2 14 C O2 2.080 . 2.280 1.876 1.844 1.927 0.036 7 0 "[ . 1]" 2 65 1 3 U H3 2 12 A N1 1.930 . 2.130 1.868 1.823 1.955 . 0 0 "[ . 1]" 2 66 1 3 U N3 2 12 A N1 2.820 2.810 2.830 2.862 2.815 2.924 0.094 4 0 "[ . 1]" 2 67 1 3 U O4 2 12 A Q6 1.820 . 2.020 1.977 1.915 2.031 0.011 1 0 "[ . 1]" 2 68 1 3 U O4 2 12 A N6 2.950 2.940 2.960 2.983 2.921 3.030 0.070 1 0 "[ . 1]" 2 69 1 2 A N1 2 13 U H3 1.930 . 2.130 1.779 1.753 1.833 . 0 0 "[ . 1]" 2 70 1 2 A N1 2 13 U N3 2.820 2.810 2.830 2.762 2.745 2.796 0.065 9 0 "[ . 1]" 2 71 1 2 A Q6 2 13 U O4 1.820 . 2.020 2.039 2.000 2.081 0.061 5 0 "[ . 1]" 2 72 1 2 A N6 2 13 U O4 2.950 2.940 2.960 3.042 3.018 3.075 0.115 9 0 "[ . 1]" 2 73 1 15 A Q6 2 4 G N3 2.000 . 2.100 2.205 2.186 2.225 0.125 9 0 "[ . 1]" 2 74 1 15 A N6 2 4 G N3 3.000 2.900 3.100 3.200 3.176 3.219 0.119 6 0 "[ . 1]" 2 75 1 15 A N7 2 4 G Q2 2.000 . 2.100 1.775 1.759 1.829 0.141 6 0 "[ . 1]" 2 76 1 15 A N7 2 4 G N2 3.000 2.900 3.100 2.705 2.668 2.733 0.232 4 0 "[ . 1]" 2 77 1 14 G N3 2 5 A Q6 2.000 . 2.100 2.263 2.240 2.305 0.205 10 0 "[ . 1]" 2 78 1 14 G N3 2 5 A N6 3.000 2.900 3.100 3.288 3.260 3.335 0.235 10 0 "[ . 1]" 2 79 1 14 G Q2 2 5 A N7 2.000 . 2.100 1.747 1.721 1.788 0.179 5 0 "[ . 1]" 2 80 1 14 G N2 2 5 A N7 3.000 2.900 3.100 2.736 2.720 2.751 0.180 5 0 "[ . 1]" 2 81 1 6 U H3 2 9 G O6 1.900 . 2.120 1.914 1.794 2.039 . 0 0 "[ . 1]" 2 82 1 6 U N3 2 9 G O6 2.950 2.640 3.170 2.890 2.776 3.023 . 0 0 "[ . 1]" 2 83 1 6 U O2 2 9 G H1 1.900 . 2.120 1.772 1.680 1.889 0.020 7 0 "[ . 1]" 2 84 1 6 U O2 2 9 G N1 2.950 2.640 3.170 2.764 2.683 2.869 . 0 0 "[ . 1]" 2 85 1 6 U O2 2 9 G O6 3.400 3.090 3.620 3.319 3.144 3.608 . 0 0 "[ . 1]" 2 86 1 6 U N3 2 9 G N1 3.800 3.490 4.020 3.899 3.629 4.051 0.031 1 0 "[ . 1]" 2 stop_ save_
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