NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
482221 |
1lmv   |
5395 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1lmv
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 36
_Distance_constraint_stats_list.Viol_count 52
_Distance_constraint_stats_list.Viol_total 7.166
_Distance_constraint_stats_list.Viol_max 0.067
_Distance_constraint_stats_list.Viol_rms 0.0085
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0020
_Distance_constraint_stats_list.Viol_average_violations_only 0.0138
_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 0.028 0.005 3 0 "[ . 1]"
1 2 G 0.023 0.016 10 0 "[ . 1]"
1 3 U 0.012 0.007 9 0 "[ . 1]"
1 4 G 0.490 0.067 10 0 "[ . 1]"
1 7 G 0.142 0.047 3 0 "[ . 1]"
1 8 U 0.000 0.000 . 0 "[ . 1]"
1 9 A 0.022 0.014 10 0 "[ . 1]"
2 1 U 0.022 0.014 10 0 "[ . 1]"
2 2 A 0.000 0.000 . 0 "[ . 1]"
2 3 C 0.142 0.047 3 0 "[ . 1]"
2 7 C 0.490 0.067 10 0 "[ . 1]"
2 8 A 0.012 0.007 9 0 "[ . 1]"
2 9 C 0.023 0.016 10 0 "[ . 1]"
2 10 C 0.028 0.005 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 2 10 C N3 1.990 . 2.140 2.002 1.990 2.013 . 0 0 "[ . 1]" 1
2 1 1 G O6 2 10 C H41 1.950 . 2.100 2.014 1.949 2.050 . 0 0 "[ . 1]" 1
3 1 1 G H21 2 10 C O2 1.950 . 2.100 1.860 1.845 1.931 0.005 3 0 "[ . 1]" 1
4 1 1 G N1 2 10 C N3 2.900 2.800 3.050 2.984 2.968 2.998 . 0 0 "[ . 1]" 1
5 1 1 G O6 2 10 C N4 2.950 2.850 3.100 2.973 2.911 3.014 . 0 0 "[ . 1]" 1
6 1 1 G N2 2 10 C O2 2.950 2.850 3.100 2.862 2.848 2.935 0.002 6 0 "[ . 1]" 1
7 1 2 G H1 2 9 C N3 1.990 . 2.140 2.044 2.012 2.059 . 0 0 "[ . 1]" 1
8 1 2 G O6 2 9 C H41 1.950 . 2.100 2.025 1.948 2.116 0.016 10 0 "[ . 1]" 1
9 1 2 G H21 2 9 C O2 1.950 . 2.100 1.958 1.872 2.024 . 0 0 "[ . 1]" 1
10 1 2 G N1 2 9 C N3 2.900 2.800 3.050 3.039 3.004 3.052 0.002 1 0 "[ . 1]" 1
11 1 2 G O6 2 9 C N4 2.950 2.850 3.100 3.014 2.937 3.094 . 0 0 "[ . 1]" 1
12 1 2 G N2 2 9 C O2 2.950 2.850 3.100 2.942 2.852 3.011 . 0 0 "[ . 1]" 1
13 1 3 U H3 2 8 A N1 1.990 . 2.140 2.027 1.947 2.090 . 0 0 "[ . 1]" 1
14 1 3 U O4 2 8 A H61 1.950 . 2.100 1.942 1.884 2.093 . 0 0 "[ . 1]" 1
15 1 3 U N3 2 8 A N1 2.900 2.800 3.050 3.002 2.926 3.057 0.007 9 0 "[ . 1]" 1
16 1 3 U O4 2 8 A N6 2.950 2.850 3.100 2.889 2.848 2.967 0.002 9 0 "[ . 1]" 1
17 1 7 G H1 2 3 C N3 1.990 . 2.140 1.985 1.899 2.009 . 0 0 "[ . 1]" 1
18 1 7 G O6 2 3 C H41 1.950 . 2.100 2.061 1.911 2.107 0.007 2 0 "[ . 1]" 1
19 1 7 G H21 2 3 C O2 1.950 . 2.100 1.937 1.847 2.147 0.047 3 0 "[ . 1]" 1
20 1 7 G N1 2 3 C N3 2.900 2.800 3.050 2.984 2.891 3.010 . 0 0 "[ . 1]" 1
21 1 7 G O6 2 3 C N4 2.950 2.850 3.100 3.038 2.895 3.084 . 0 0 "[ . 1]" 1
22 1 7 G N2 2 3 C O2 2.950 2.850 3.100 2.885 2.826 3.049 0.024 10 0 "[ . 1]" 1
23 1 8 U H3 2 2 A N1 1.990 . 2.140 2.028 1.968 2.123 . 0 0 "[ . 1]" 1
24 1 8 U O4 2 2 A H61 1.950 . 2.100 1.915 1.864 1.999 . 0 0 "[ . 1]" 1
25 1 8 U N3 2 2 A N1 2.900 2.800 3.050 2.991 2.959 3.050 . 0 0 "[ . 1]" 1
26 1 8 U O4 2 2 A N6 2.950 2.850 3.100 2.903 2.854 2.989 . 0 0 "[ . 1]" 1
27 1 9 A N1 2 1 U H3 1.990 . 2.140 1.913 1.876 1.964 0.014 10 0 "[ . 1]" 1
28 1 9 A H61 2 1 U O4 1.950 . 2.100 2.008 1.934 2.074 . 0 0 "[ . 1]" 1
29 1 9 A N1 2 1 U N3 2.900 2.800 3.050 2.911 2.878 2.954 . 0 0 "[ . 1]" 1
30 1 9 A N6 2 1 U O4 2.950 2.850 3.100 3.005 2.930 3.069 . 0 0 "[ . 1]" 1
31 1 4 G H1 2 7 C N3 1.990 . 2.140 1.956 1.889 2.000 0.001 10 0 "[ . 1]" 1
32 1 4 G O6 2 7 C H41 1.950 . 2.100 2.145 2.106 2.167 0.067 10 0 "[ . 1]" 1
33 1 4 G H21 2 7 C O2 1.950 . 2.100 1.873 1.850 1.902 0.000 9 0 "[ . 1]" 1
34 1 4 G N1 2 7 C N3 2.900 2.800 3.050 2.958 2.892 2.995 . 0 0 "[ . 1]" 1
35 1 4 G O6 2 7 C N4 2.950 2.850 3.100 3.061 3.004 3.079 . 0 0 "[ . 1]" 1
36 1 4 G N2 2 7 C O2 2.950 2.850 3.100 2.850 2.837 2.871 0.013 9 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 204
_Distance_constraint_stats_list.Viol_count 184
_Distance_constraint_stats_list.Viol_total 71.582
_Distance_constraint_stats_list.Viol_max 0.117
_Distance_constraint_stats_list.Viol_rms 0.0159
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0035
_Distance_constraint_stats_list.Viol_average_violations_only 0.0389
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 G 0.000 0.000 . 0 "[ . 1]"
1 2 G 1.318 0.117 10 0 "[ . 1]"
1 3 U 0.367 0.029 5 0 "[ . 1]"
1 4 G 1.661 0.115 4 0 "[ . 1]"
1 5 U 0.581 0.054 9 0 "[ . 1]"
1 6 A 0.318 0.033 2 0 "[ . 1]"
1 7 G 1.160 0.113 10 0 "[ . 1]"
1 8 U 0.070 0.020 10 0 "[ . 1]"
1 9 A 0.382 0.033 7 0 "[ . 1]"
2 1 U 0.029 0.016 9 0 "[ . 1]"
2 2 A 0.331 0.038 9 0 "[ . 1]"
2 3 C 0.309 0.038 9 0 "[ . 1]"
2 4 U 0.277 0.054 10 0 "[ . 1]"
2 5 A 0.022 0.012 3 0 "[ . 1]"
2 6 A 0.296 0.033 9 0 "[ . 1]"
2 7 C 0.269 0.033 9 0 "[ . 1]"
2 8 A 0.515 0.039 10 0 "[ . 1]"
2 9 C 1.258 0.105 1 0 "[ . 1]"
2 10 C 0.964 0.105 1 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 9 A H1' 1 9 A H2' 2.500 . 3.000 3.033 3.031 3.033 0.033 7 0 "[ . 1]" 2
2 2 10 C H1' 2 10 C H2' 2.500 . 3.000 2.600 2.595 2.605 . 0 0 "[ . 1]" 2
3 2 4 U H1' 2 4 U H2' 2.500 . 3.000 2.654 2.634 2.670 . 0 0 "[ . 1]" 2
4 1 6 A H1' 1 6 A H2' 2.500 . 3.000 2.673 2.648 2.709 . 0 0 "[ . 1]" 2
5 2 1 U H1' 2 1 U H2' 2.500 . 3.000 2.674 2.659 2.692 . 0 0 "[ . 1]" 2
6 2 8 A H1' 2 8 A H2' 2.500 . 3.000 2.647 2.625 2.669 . 0 0 "[ . 1]" 2
7 2 6 A H1' 2 6 A H2' 2.500 . 3.000 2.629 2.622 2.645 . 0 0 "[ . 1]" 2
8 2 2 A H1' 2 2 A H2' 2.500 . 3.000 2.627 2.611 2.634 . 0 0 "[ . 1]" 2
9 1 8 U H1' 1 8 U H2' 2.500 . 3.000 2.639 2.631 2.651 . 0 0 "[ . 1]" 2
10 1 7 G H1' 1 7 G H2' 2.500 . 3.000 2.648 2.632 2.664 . 0 0 "[ . 1]" 2
11 2 3 C H1' 2 3 C H2' 2.500 . 3.000 2.649 2.627 2.671 . 0 0 "[ . 1]" 2
12 1 4 G H1' 1 4 G H2' 2.500 . 3.000 2.629 2.602 2.680 . 0 0 "[ . 1]" 2
13 1 3 U H1' 1 3 U H2' 2.500 . 3.000 2.642 2.632 2.649 . 0 0 "[ . 1]" 2
14 1 2 G H1' 1 2 G H2' 2.500 . 3.000 2.635 2.619 2.649 . 0 0 "[ . 1]" 2
15 2 10 C H1' 2 10 C H3' 3.500 . 4.200 3.604 3.595 3.607 . 0 0 "[ . 1]" 2
16 2 10 C H1' 2 10 C H6 4.500 2.500 5.400 3.676 3.640 3.687 . 0 0 "[ . 1]" 2
17 2 4 U H1' 2 4 U H6 4.500 2.500 5.400 3.609 3.593 3.625 . 0 0 "[ . 1]" 2
18 2 8 A H1' 2 8 A H8 4.500 2.500 5.400 3.825 3.801 3.844 . 0 0 "[ . 1]" 2
19 1 9 A H1' 1 9 A H8 4.500 2.500 5.400 3.888 3.877 3.907 . 0 0 "[ . 1]" 2
20 1 4 G H1' 1 4 G H8 4.500 2.500 5.400 3.740 3.713 3.774 . 0 0 "[ . 1]" 2
21 2 2 A H1' 2 2 A H8 5.500 3.000 6.600 3.787 3.755 3.819 . 0 0 "[ . 1]" 2
22 2 5 A H1' 2 5 A H8 5.500 3.000 6.600 3.791 3.771 3.822 . 0 0 "[ . 1]" 2
23 2 6 A H1' 2 6 A H8 5.500 3.000 6.600 3.831 3.817 3.846 . 0 0 "[ . 1]" 2
24 1 6 A H1' 1 6 A H8 5.500 3.000 6.600 3.689 3.655 3.723 . 0 0 "[ . 1]" 2
25 1 3 U H1' 1 3 U H6 5.500 3.000 6.600 3.643 3.611 3.669 . 0 0 "[ . 1]" 2
26 1 7 G H1' 1 7 G H8 5.500 3.000 6.600 3.745 3.721 3.777 . 0 0 "[ . 1]" 2
27 1 5 U H1' 1 5 U H6 5.500 3.000 6.600 3.657 3.625 3.712 . 0 0 "[ . 1]" 2
28 1 8 U H1' 1 8 U H5 5.500 3.000 6.600 5.336 5.322 5.351 . 0 0 "[ . 1]" 2
29 2 9 C H1' 2 9 C H5 5.500 3.000 6.600 5.393 5.374 5.403 . 0 0 "[ . 1]" 2
30 2 4 U H1' 2 4 U H5 5.500 3.000 6.600 5.325 5.308 5.343 . 0 0 "[ . 1]" 2
31 2 7 C H1' 2 7 C H5 5.500 3.000 6.600 5.368 5.350 5.378 . 0 0 "[ . 1]" 2
32 1 3 U H1' 1 3 U H5 5.500 3.000 6.600 5.352 5.326 5.375 . 0 0 "[ . 1]" 2
33 2 3 C H1' 2 3 C H5 5.500 3.000 6.600 5.329 5.288 5.352 . 0 0 "[ . 1]" 2
34 2 10 C H1' 2 10 C H5 5.500 3.000 6.600 5.379 5.355 5.389 . 0 0 "[ . 1]" 2
35 2 4 U H2' 2 4 U H6 3.500 . 4.200 3.975 3.952 4.014 . 0 0 "[ . 1]" 2
36 2 1 U H2' 2 1 U H6 3.500 . 4.200 3.858 3.784 3.952 . 0 0 "[ . 1]" 2
37 1 4 G H2' 1 4 G H8 3.500 . 4.200 4.218 4.195 4.241 0.041 2 0 "[ . 1]" 2
38 2 7 C H2' 2 7 C H6 3.500 . 4.200 3.857 3.793 3.996 . 0 0 "[ . 1]" 2
39 2 10 C H2' 2 10 C H6 3.500 . 4.200 3.900 3.855 4.000 . 0 0 "[ . 1]" 2
40 2 2 A H2' 2 2 A H8 3.500 . 4.200 4.156 4.014 4.212 0.012 2 0 "[ . 1]" 2
41 2 6 A H2' 2 6 A H8 3.500 . 4.200 3.988 3.932 4.083 . 0 0 "[ . 1]" 2
42 1 8 U H2' 1 8 U H6 3.500 . 4.200 4.053 4.008 4.121 . 0 0 "[ . 1]" 2
43 1 5 U H2' 1 5 U H6 3.500 . 4.200 3.929 3.601 4.039 . 0 0 "[ . 1]" 2
44 2 9 C H2' 2 9 C H6 3.500 . 4.200 3.757 3.670 3.883 . 0 0 "[ . 1]" 2
45 1 9 A H2' 1 9 A H8 2.500 . 3.000 2.961 2.853 3.005 0.005 3 0 "[ . 1]" 2
46 2 5 A H2' 2 5 A H8 3.500 . 4.200 4.080 3.951 4.142 . 0 0 "[ . 1]" 2
47 1 2 G H2' 1 2 G H8 3.500 . 4.200 4.099 4.036 4.211 0.011 4 0 "[ . 1]" 2
48 2 4 U H2' 2 4 U H5 4.500 2.500 5.400 5.427 5.410 5.454 0.054 10 0 "[ . 1]" 2
49 2 1 U H2' 2 1 U H5 4.500 2.500 5.400 5.312 5.248 5.416 0.016 9 0 "[ . 1]" 2
50 2 7 C H3' 2 7 C H6 3.500 . 4.200 2.338 2.290 2.415 . 0 0 "[ . 1]" 2
51 1 6 A H3' 1 6 A H8 3.500 . 4.200 2.915 2.845 3.052 . 0 0 "[ . 1]" 2
52 2 4 U H3' 2 4 U H6 3.500 . 4.200 2.558 2.320 2.678 . 0 0 "[ . 1]" 2
53 1 3 U H3' 1 3 U H6 3.500 . 4.200 2.316 2.233 2.458 . 0 0 "[ . 1]" 2
54 1 7 G H3' 1 7 G H8 3.500 . 4.200 2.809 2.746 2.897 . 0 0 "[ . 1]" 2
55 1 4 G H3' 1 4 G H8 3.500 . 4.200 2.853 2.745 3.102 . 0 0 "[ . 1]" 2
56 2 9 C H3' 2 9 C H6 3.500 . 4.200 2.229 2.169 2.351 . 0 0 "[ . 1]" 2
57 1 8 U H3' 1 8 U H6 3.500 . 4.200 2.440 2.344 2.542 . 0 0 "[ . 1]" 2
58 2 1 U H3' 2 1 U H6 3.500 . 4.200 2.394 2.333 2.433 . 0 0 "[ . 1]" 2
59 2 3 C H3' 2 3 C H6 3.500 . 4.200 2.529 2.434 2.698 . 0 0 "[ . 1]" 2
60 2 8 A H3' 2 8 A H8 3.500 . 4.200 2.537 2.392 2.671 . 0 0 "[ . 1]" 2
61 2 10 C H3' 2 10 C H6 2.500 . 3.000 2.256 2.188 2.394 . 0 0 "[ . 1]" 2
62 2 1 U H5 2 1 U H6 2.500 . 3.000 2.396 2.388 2.399 . 0 0 "[ . 1]" 2
63 2 3 C H5 2 3 C H6 2.500 . 3.000 2.410 2.403 2.414 . 0 0 "[ . 1]" 2
64 2 4 U H5 2 4 U H6 2.500 . 3.000 2.384 2.370 2.399 . 0 0 "[ . 1]" 2
65 2 7 C H5 2 7 C H6 2.500 . 3.000 2.415 2.412 2.420 . 0 0 "[ . 1]" 2
66 2 9 C H5 2 9 C H6 2.500 . 3.000 2.414 2.410 2.417 . 0 0 "[ . 1]" 2
67 2 10 C H5 2 10 C H6 2.500 . 3.000 2.417 2.415 2.419 . 0 0 "[ . 1]" 2
68 1 3 U H5 1 3 U H6 2.500 . 3.000 2.380 2.375 2.384 . 0 0 "[ . 1]" 2
69 1 5 U H5 1 5 U H6 2.500 . 3.000 2.378 2.369 2.394 . 0 0 "[ . 1]" 2
70 1 8 U H5 1 8 U H6 2.500 . 3.000 2.386 2.378 2.389 . 0 0 "[ . 1]" 2
71 1 4 G H1 1 4 G H22 5.500 3.000 6.600 3.584 3.577 3.588 . 0 0 "[ . 1]" 2
72 1 4 G H1 1 4 G H21 4.500 2.500 5.400 2.389 2.385 2.391 0.115 4 0 "[ . 1]" 2
73 1 2 G H1 1 2 G H22 5.500 3.000 6.600 3.586 3.583 3.589 . 0 0 "[ . 1]" 2
74 1 2 G H1 1 2 G H21 4.500 2.500 5.400 2.387 2.383 2.391 0.117 10 0 "[ . 1]" 2
75 1 7 G H1 1 7 G H22 5.500 3.000 6.600 3.589 3.579 3.593 . 0 0 "[ . 1]" 2
76 1 7 G H1 1 7 G H21 4.500 2.500 5.400 2.391 2.387 2.400 0.113 10 0 "[ . 1]" 2
77 2 2 A H8 2 3 C H6 5.500 3.000 6.600 4.721 4.575 4.940 . 0 0 "[ . 1]" 2
78 1 5 U H6 1 6 A H8 4.500 2.500 5.400 4.108 3.561 4.795 . 0 0 "[ . 1]" 2
79 2 4 U H6 2 5 A H8 5.500 3.000 6.600 5.071 4.548 5.819 . 0 0 "[ . 1]" 2
80 2 6 A H8 2 7 C H6 4.500 2.500 5.400 5.047 4.855 5.214 . 0 0 "[ . 1]" 2
81 2 7 C H6 2 8 A H8 4.500 2.500 5.400 4.629 4.335 4.894 . 0 0 "[ . 1]" 2
82 1 8 U H6 1 9 A H8 4.500 2.500 5.400 4.007 3.879 4.248 . 0 0 "[ . 1]" 2
83 2 1 U H6 2 2 A H8 4.500 2.500 5.400 4.670 4.433 4.824 . 0 0 "[ . 1]" 2
84 2 8 A H8 2 9 C H6 4.500 2.500 5.400 4.944 4.607 5.314 . 0 0 "[ . 1]" 2
85 1 6 A H8 1 7 G H8 4.500 2.500 5.400 5.033 4.767 5.409 0.009 1 0 "[ . 1]" 2
86 2 9 C H6 2 10 C H6 4.500 2.500 5.400 4.721 4.463 4.997 . 0 0 "[ . 1]" 2
87 1 7 G H8 1 8 U H6 4.500 2.500 5.400 5.222 4.966 5.420 0.020 10 0 "[ . 1]" 2
88 1 4 G H8 1 5 U H6 4.500 2.500 5.400 4.945 4.810 5.029 . 0 0 "[ . 1]" 2
89 2 9 C H5 2 10 C H5 4.500 2.500 5.400 4.089 3.823 4.387 . 0 0 "[ . 1]" 2
90 2 2 A H8 2 3 C H5 5.500 3.000 6.600 3.869 3.691 4.082 . 0 0 "[ . 1]" 2
91 2 6 A H8 2 7 C H5 5.500 3.000 6.600 4.349 4.144 4.459 . 0 0 "[ . 1]" 2
92 1 7 G H8 1 8 U H5 5.500 3.000 6.600 4.301 3.981 4.529 . 0 0 "[ . 1]" 2
93 2 8 A H8 2 9 C H5 5.500 3.000 6.600 3.910 3.580 4.342 . 0 0 "[ . 1]" 2
94 1 2 G H8 1 3 U H5 5.500 3.000 6.600 4.499 4.093 4.759 . 0 0 "[ . 1]" 2
95 2 3 C H6 2 4 U H5 5.500 3.000 6.600 4.285 3.602 4.976 . 0 0 "[ . 1]" 2
96 2 9 C H6 2 10 C H5 5.500 3.000 6.600 4.039 3.768 4.440 . 0 0 "[ . 1]" 2
97 1 4 G H8 1 5 U H5 5.500 3.000 6.600 3.896 3.770 3.962 . 0 0 "[ . 1]" 2
98 2 1 U H1' 2 2 A H8 4.500 2.500 5.400 4.531 4.496 4.556 . 0 0 "[ . 1]" 2
99 2 2 A H1' 2 3 C H6 4.500 2.500 5.400 4.467 4.355 4.507 . 0 0 "[ . 1]" 2
100 2 3 C H1' 2 4 U H6 4.500 2.500 5.400 4.583 4.491 4.955 . 0 0 "[ . 1]" 2
101 2 4 U H1' 2 5 A H8 4.500 2.500 5.400 4.601 4.492 4.685 . 0 0 "[ . 1]" 2
102 2 5 A H1' 2 6 A H8 4.500 2.500 5.400 4.808 4.729 4.874 . 0 0 "[ . 1]" 2
103 2 6 A H1' 2 7 C H6 4.500 2.500 5.400 4.541 4.493 4.603 . 0 0 "[ . 1]" 2
104 2 7 C H1' 2 8 A H8 4.500 2.500 5.400 4.551 4.455 4.629 . 0 0 "[ . 1]" 2
105 2 8 A H1' 2 9 C H6 4.500 2.500 5.400 4.702 4.608 4.805 . 0 0 "[ . 1]" 2
106 2 9 C H1' 2 10 C H6 4.500 2.500 5.400 4.557 4.464 4.658 . 0 0 "[ . 1]" 2
107 1 1 G H1' 1 2 G H8 4.500 2.500 5.400 4.595 4.556 4.656 . 0 0 "[ . 1]" 2
108 1 2 G H1' 1 3 U H6 4.500 2.500 5.400 4.601 4.490 4.760 . 0 0 "[ . 1]" 2
109 1 3 U H1' 1 4 G H8 4.500 2.500 5.400 4.461 4.404 4.501 . 0 0 "[ . 1]" 2
110 1 4 G H1' 1 5 U H6 4.500 2.500 5.400 4.684 4.511 4.884 . 0 0 "[ . 1]" 2
111 1 5 U H1' 1 6 A H8 4.500 2.500 5.400 4.862 4.718 5.052 . 0 0 "[ . 1]" 2
112 1 6 A H1' 1 7 G H8 4.500 2.500 5.400 4.549 4.466 4.662 . 0 0 "[ . 1]" 2
113 1 7 G H1' 1 8 U H6 4.500 2.500 5.400 4.609 4.562 4.679 . 0 0 "[ . 1]" 2
114 1 8 U H1' 1 9 A H8 4.500 2.500 5.400 4.284 4.237 4.408 . 0 0 "[ . 1]" 2
115 2 6 A H1' 2 7 C H5 4.500 2.500 5.400 5.424 5.416 5.433 0.033 9 0 "[ . 1]" 2
116 1 7 G H1' 1 8 U H5 4.500 2.500 5.400 5.367 5.295 5.404 0.004 8 0 "[ . 1]" 2
117 1 2 G H1' 1 3 U H5 4.500 2.500 5.400 5.417 5.404 5.429 0.029 5 0 "[ . 1]" 2
118 2 8 A H1' 2 9 C H5 4.500 2.500 5.400 5.418 5.409 5.439 0.039 10 0 "[ . 1]" 2
119 2 2 A H1' 2 3 C H5 4.500 2.500 5.400 5.425 5.414 5.438 0.038 9 0 "[ . 1]" 2
120 1 4 G H1' 1 5 U H5 4.500 2.500 5.400 5.437 5.417 5.454 0.054 9 0 "[ . 1]" 2
121 2 1 U H2' 2 2 A H8 2.500 . 3.000 2.023 1.976 2.156 . 0 0 "[ . 1]" 2
122 1 8 U H2' 1 9 A H8 2.500 . 3.000 2.080 2.021 2.141 . 0 0 "[ . 1]" 2
123 2 7 C H2' 2 8 A H8 2.500 . 3.000 2.104 2.014 2.256 . 0 0 "[ . 1]" 2
124 2 3 C H2' 2 4 U H6 2.500 . 3.000 2.205 1.971 3.002 0.002 3 0 "[ . 1]" 2
125 1 4 G H2' 1 5 U H6 2.500 . 3.000 2.190 2.079 2.361 . 0 0 "[ . 1]" 2
126 1 5 U H2' 1 6 A H8 2.500 . 3.000 2.607 2.404 2.916 . 0 0 "[ . 1]" 2
127 1 7 G H2' 1 8 U H6 2.500 . 3.000 2.071 1.991 2.158 . 0 0 "[ . 1]" 2
128 2 9 C H2' 2 10 C H6 2.500 . 3.000 2.059 1.990 2.129 . 0 0 "[ . 1]" 2
129 2 2 A H2' 2 3 C H6 2.500 . 3.000 2.056 1.967 2.123 . 0 0 "[ . 1]" 2
130 2 6 A H2' 2 7 C H6 2.500 . 3.000 2.045 2.015 2.085 . 0 0 "[ . 1]" 2
131 1 6 A H2' 1 7 G H8 2.500 . 3.000 2.127 1.953 2.404 . 0 0 "[ . 1]" 2
132 2 8 A H2' 2 9 C H6 2.500 . 3.000 2.159 2.107 2.223 . 0 0 "[ . 1]" 2
133 1 2 G H2' 1 3 U H6 2.500 . 3.000 2.038 1.984 2.147 . 0 0 "[ . 1]" 2
134 2 4 U H2' 2 5 A H8 2.500 . 3.000 2.100 2.045 2.206 . 0 0 "[ . 1]" 2
135 2 5 A H2' 2 6 A H8 2.500 . 3.000 2.195 2.137 2.293 . 0 0 "[ . 1]" 2
136 1 3 U H2' 1 4 G H8 2.500 . 3.000 2.154 2.084 2.265 . 0 0 "[ . 1]" 2
137 2 8 A H2' 2 9 C H5 3.500 . 4.200 3.537 3.334 3.846 . 0 0 "[ . 1]" 2
138 1 7 G H2' 1 8 U H5 3.500 . 4.200 3.504 3.196 3.750 . 0 0 "[ . 1]" 2
139 2 6 A H2' 2 7 C H5 3.500 . 4.200 3.557 3.450 3.758 . 0 0 "[ . 1]" 2
140 1 4 G H2' 1 5 U H5 3.500 . 4.200 3.699 3.628 3.766 . 0 0 "[ . 1]" 2
141 2 7 C H3' 2 8 A H8 3.500 . 4.200 3.205 2.997 3.398 . 0 0 "[ . 1]" 2
142 1 8 U H3' 1 9 A H8 3.500 . 4.200 2.320 2.249 2.435 . 0 0 "[ . 1]" 2
143 1 7 G H3' 1 8 U H6 3.500 . 4.200 3.206 2.930 3.448 . 0 0 "[ . 1]" 2
144 2 9 C H3' 2 10 C H6 3.500 . 4.200 3.170 2.845 3.339 . 0 0 "[ . 1]" 2
145 1 3 U H3' 1 4 G H8 3.500 . 4.200 2.736 2.524 2.975 . 0 0 "[ . 1]" 2
146 2 3 C H3' 2 4 U H6 3.500 . 4.200 3.125 2.226 3.504 . 0 0 "[ . 1]" 2
147 1 6 A H3' 1 7 G H8 3.500 . 4.200 3.117 2.848 3.312 . 0 0 "[ . 1]" 2
148 1 4 G H3' 1 5 U H6 3.500 . 4.200 2.881 2.723 2.984 . 0 0 "[ . 1]" 2
149 2 8 A H3' 2 9 C H6 3.500 . 4.200 3.276 2.990 3.465 . 0 0 "[ . 1]" 2
150 1 5 U H3' 1 6 A H8 3.500 . 4.200 2.653 2.405 3.120 . 0 0 "[ . 1]" 2
151 2 4 U H3' 2 5 A H8 3.500 . 4.200 3.355 2.950 4.062 . 0 0 "[ . 1]" 2
152 2 5 A H3' 2 6 A H8 3.500 . 4.200 3.186 2.871 3.403 . 0 0 "[ . 1]" 2
153 2 6 A H3' 2 7 C H6 3.500 . 4.200 3.426 3.226 3.486 . 0 0 "[ . 1]" 2
154 2 6 A H3' 2 7 C H5 3.500 . 4.200 3.719 3.548 3.833 . 0 0 "[ . 1]" 2
155 2 8 A H3' 2 9 C H5 3.500 . 4.200 3.297 3.144 3.461 . 0 0 "[ . 1]" 2
156 1 4 G H3' 1 5 U H5 3.500 . 4.200 2.843 2.684 2.933 . 0 0 "[ . 1]" 2
157 1 8 U H2' 1 9 A H1' 3.500 . 4.200 4.176 4.068 4.213 0.013 3 0 "[ . 1]" 2
158 1 1 G H2' 1 2 G H1' 3.500 . 4.200 3.986 3.869 4.073 . 0 0 "[ . 1]" 2
159 1 5 U H2' 1 6 A H1' 3.500 . 4.200 4.221 4.203 4.233 0.033 2 0 "[ . 1]" 2
160 2 9 C H2' 2 10 C H1' 3.500 . 4.200 3.467 3.194 3.631 . 0 0 "[ . 1]" 2
161 2 7 C H2' 2 8 A H1' 3.500 . 4.200 3.989 3.904 4.078 . 0 0 "[ . 1]" 2
162 1 6 A H2' 1 7 G H1' 3.500 . 4.200 4.148 4.024 4.210 0.010 6 0 "[ . 1]" 2
163 2 1 U H2' 2 2 A H1' 3.500 . 4.200 3.884 3.735 4.009 . 0 0 "[ . 1]" 2
164 2 5 A H2' 2 6 A H1' 3.500 . 4.200 3.661 3.332 3.857 . 0 0 "[ . 1]" 2
165 2 6 A H2' 2 7 C H1' 3.500 . 4.200 3.960 3.882 4.024 . 0 0 "[ . 1]" 2
166 1 3 U H2' 1 4 G H1' 3.500 . 4.200 3.836 3.719 4.105 . 0 0 "[ . 1]" 2
167 2 3 C H2' 2 4 U H1' 3.500 . 4.200 4.062 3.986 4.202 0.002 6 0 "[ . 1]" 2
168 1 4 G H2' 1 5 U H1' 3.500 . 4.200 3.831 3.354 4.033 . 0 0 "[ . 1]" 2
169 2 6 A H1' 2 7 C H1' 4.500 2.500 5.400 5.071 4.898 5.218 . 0 0 "[ . 1]" 2
170 2 5 A H1' 2 6 A H1' 4.500 2.500 5.400 4.976 4.871 5.249 . 0 0 "[ . 1]" 2
171 2 7 C H1' 2 8 A H1' 4.500 2.500 5.400 5.245 5.028 5.417 0.017 8 0 "[ . 1]" 2
172 2 2 A H1' 2 3 C H1' 4.500 2.500 5.400 5.300 5.134 5.410 0.010 7 0 "[ . 1]" 2
173 2 8 A H1' 2 9 C H1' 4.500 2.500 5.400 5.408 5.371 5.431 0.031 1 0 "[ . 1]" 2
174 1 2 G H1' 1 3 U H1' 4.500 2.500 5.400 5.168 5.002 5.294 . 0 0 "[ . 1]" 2
175 2 8 A H2' 2 9 C H1' 5.500 3.000 6.600 4.040 3.957 4.120 . 0 0 "[ . 1]" 2
176 2 9 C H1' 2 10 C H2' 5.500 3.000 6.600 6.696 6.687 6.705 0.105 1 0 "[ . 1]" 2
177 1 3 U H3 2 8 A H2 2.500 . 3.000 2.523 2.429 2.610 . 0 0 "[ . 1]" 2
178 1 3 U H3 2 8 A H62 5.500 3.000 6.600 4.449 4.416 4.474 . 0 0 "[ . 1]" 2
179 1 3 U H3 2 8 A H61 5.500 3.000 6.600 2.981 2.974 2.991 0.026 10 0 "[ . 1]" 2
180 1 4 G H1 2 8 A H1' 5.500 3.000 6.600 4.935 4.621 5.282 . 0 0 "[ . 1]" 2
181 1 4 G H1 2 7 C H41 4.500 2.500 5.400 2.837 2.744 2.910 . 0 0 "[ . 1]" 2
182 1 4 G H1 2 7 C H42 4.500 2.500 5.400 4.314 4.243 4.383 . 0 0 "[ . 1]" 2
183 1 2 G H1 2 9 C H41 4.500 2.500 5.400 2.876 2.815 2.961 . 0 0 "[ . 1]" 2
184 1 2 G H1 2 9 C H42 4.500 2.500 5.400 4.382 4.332 4.454 . 0 0 "[ . 1]" 2
185 1 7 G H1 2 3 C H42 4.500 2.500 5.400 4.392 4.299 4.453 . 0 0 "[ . 1]" 2
186 1 7 G H1 2 3 C H41 4.500 2.500 5.400 2.913 2.855 2.969 . 0 0 "[ . 1]" 2
187 2 2 A H61 2 3 C H5 4.500 2.500 5.400 5.360 5.249 5.415 0.015 8 0 "[ . 1]" 2
188 1 3 U H3 1 4 G H1 4.500 2.500 5.400 4.527 4.362 4.805 . 0 0 "[ . 1]" 2
189 1 6 A H1' 2 5 A H2 4.500 2.500 5.400 3.079 2.662 3.567 . 0 0 "[ . 1]" 2
190 2 5 A H2 2 6 A H1' 3.500 . 4.200 3.844 3.118 4.210 0.010 3 0 "[ . 1]" 2
191 1 6 A H1' 2 6 A H2 5.500 3.000 6.600 4.730 4.110 5.701 . 0 0 "[ . 1]" 2
192 1 5 U H1' 2 6 A H2 5.500 3.000 6.600 4.523 4.381 4.700 . 0 0 "[ . 1]" 2
193 2 6 A H2 2 7 C H1' 3.500 . 4.200 3.846 3.694 4.010 . 0 0 "[ . 1]" 2
194 1 5 U H5 2 6 A H2 5.500 3.000 6.600 6.283 6.170 6.389 . 0 0 "[ . 1]" 2
195 1 6 A H2 2 5 A H1' 4.500 2.500 5.400 3.505 2.488 3.907 0.012 3 0 "[ . 1]" 2
196 1 6 A H2 1 7 G H1' 3.500 . 4.200 3.435 3.051 3.745 . 0 0 "[ . 1]" 2
197 1 6 A H2 2 5 A H2 4.500 2.500 5.400 3.858 3.662 4.602 . 0 0 "[ . 1]" 2
198 1 6 A H2 2 6 A H1' 5.500 3.000 6.600 6.485 6.128 6.625 0.025 10 0 "[ . 1]" 2
199 1 9 A H2 2 2 A H1' 5.500 3.000 6.600 3.872 3.623 4.027 . 0 0 "[ . 1]" 2
200 1 9 A H2 2 1 U H1' 5.500 3.000 6.600 5.132 4.980 5.349 . 0 0 "[ . 1]" 2
201 1 4 G H1' 2 8 A H2 4.500 2.500 5.400 3.908 3.706 4.185 . 0 0 "[ . 1]" 2
202 2 8 A H2 2 9 C H1' 3.500 . 4.200 3.956 3.607 4.199 . 0 0 "[ . 1]" 2
203 2 2 A H2 2 3 C H1' 3.500 . 4.200 3.182 2.767 3.359 . 0 0 "[ . 1]" 2
204 1 9 A H1' 2 2 A H2 5.500 3.000 6.600 3.934 3.605 4.317 . 0 0 "[ . 1]" 2
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