NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
408791 |
1z2j   |
6543 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1z2j
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 58
_Distance_constraint_stats_list.Viol_count 12
_Distance_constraint_stats_list.Viol_total 2.822
_Distance_constraint_stats_list.Viol_max 0.031
_Distance_constraint_stats_list.Viol_rms 0.0015
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0001
_Distance_constraint_stats_list.Viol_average_violations_only 0.0118
_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 0.141 0.031 18 0 "[ . 1 . 2]"
1 2 G 0.141 0.031 18 0 "[ . 1 . 2]"
1 3 G 0.000 0.000 . 0 "[ . 1 . 2]"
1 4 A 0.000 0.000 . 0 "[ . 1 . 2]"
1 5 A 0.000 0.000 . 0 "[ . 1 . 2]"
1 6 G 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 G H1' 1 1 G H8 4.000 . 4.800 3.761 3.747 3.774 . 0 0 "[ . 1 . 2]" 1
2 1 1 G H2' 1 1 G H8 4.500 . 5.400 4.060 4.027 4.114 . 0 0 "[ . 1 . 2]" 1
3 1 1 G H4' 1 1 G H8 4.500 . 5.400 4.182 4.158 4.224 . 0 0 "[ . 1 . 2]" 1
4 1 1 G Q5' 1 1 G H8 4.500 . 5.400 3.310 3.268 3.386 . 0 0 "[ . 1 . 2]" 1
5 1 1 G H1' 1 1 G Q5' 6.000 3.000 7.000 4.377 4.364 4.384 . 0 0 "[ . 1 . 2]" 1
6 1 1 G H1' 1 1 G H4' 3.500 . 4.200 3.378 3.341 3.395 . 0 0 "[ . 1 . 2]" 1
7 1 1 G H1' 1 1 G H3' 4.000 . 4.800 3.766 3.758 3.776 . 0 0 "[ . 1 . 2]" 1
8 1 1 G H1' 1 1 G H2' 3.000 . 3.600 2.712 2.701 2.723 . 0 0 "[ . 1 . 2]" 1
9 1 1 G H2' 1 1 G H3' 4.000 . 4.800 2.411 2.405 2.416 . 0 0 "[ . 1 . 2]" 1
10 1 1 G H2' 1 1 G Q5' 4.500 . 5.400 4.598 4.593 4.606 . 0 0 "[ . 1 . 2]" 1
11 1 1 G H4' 1 1 G Q5' 3.000 . 3.600 2.186 2.184 2.188 . 0 0 "[ . 1 . 2]" 1
12 1 2 G H1' 1 2 G H8 4.000 . 4.800 3.766 3.759 3.775 . 0 0 "[ . 1 . 2]" 1
13 1 2 G H2' 1 2 G H8 4.500 . 5.400 4.011 3.957 4.035 . 0 0 "[ . 1 . 2]" 1
14 1 2 G H3' 1 2 G H8 3.500 . 4.200 2.801 2.745 2.860 . 0 0 "[ . 1 . 2]" 1
15 1 2 G H1' 1 2 G H2' 3.000 . 3.600 2.722 2.710 2.730 . 0 0 "[ . 1 . 2]" 1
16 1 2 G H1' 1 2 G H3' 4.000 . 4.800 3.769 3.754 3.784 . 0 0 "[ . 1 . 2]" 1
17 1 2 G H1' 1 2 G H4' 3.500 . 4.200 3.322 3.293 3.356 . 0 0 "[ . 1 . 2]" 1
18 1 2 G H1' 1 2 G Q5' 6.000 3.000 7.000 4.364 4.355 4.376 . 0 0 "[ . 1 . 2]" 1
19 1 1 G H8 1 2 G H8 5.000 . 6.000 4.794 4.735 4.879 . 0 0 "[ . 1 . 2]" 1
20 1 1 G H1' 1 2 G H8 4.500 . 5.400 4.698 4.672 4.745 . 0 0 "[ . 1 . 2]" 1
21 1 1 G H2' 1 2 G H8 2.000 . 2.400 2.151 2.136 2.177 . 0 0 "[ . 1 . 2]" 1
22 1 1 G H1' 1 2 G H1' 6.000 3.000 7.000 5.760 5.713 5.801 . 0 0 "[ . 1 . 2]" 1
23 1 1 G H2' 1 2 G H1' 4.500 . 5.400 4.113 4.070 4.147 . 0 0 "[ . 1 . 2]" 1
24 1 1 G H2' 1 2 G H2' 4.500 . 5.400 5.405 5.386 5.431 0.031 18 0 "[ . 1 . 2]" 1
25 1 3 G H1' 1 3 G H8 4.000 . 4.800 3.771 3.759 3.785 . 0 0 "[ . 1 . 2]" 1
26 1 3 G H2' 1 3 G H8 4.500 . 5.400 3.951 3.930 3.994 . 0 0 "[ . 1 . 2]" 1
27 1 3 G H1' 1 3 G H2' 3.000 . 3.600 2.755 2.744 2.767 . 0 0 "[ . 1 . 2]" 1
28 1 3 G H1' 1 3 G H3' 4.000 . 4.800 3.795 3.788 3.807 . 0 0 "[ . 1 . 2]" 1
29 1 3 G H1' 1 3 G H4' 3.500 . 4.200 3.244 3.207 3.272 . 0 0 "[ . 1 . 2]" 1
30 1 2 G H8 1 3 G H8 5.000 . 6.000 4.710 4.681 4.746 . 0 0 "[ . 1 . 2]" 1
31 1 2 G H1' 1 3 G H8 4.500 . 5.400 4.675 4.643 4.718 . 0 0 "[ . 1 . 2]" 1
32 1 2 G H2' 1 3 G H8 2.000 . 2.400 2.158 2.142 2.167 . 0 0 "[ . 1 . 2]" 1
33 1 2 G H3' 1 3 G H8 3.500 . 4.200 3.112 3.035 3.233 . 0 0 "[ . 1 . 2]" 1
34 1 2 G H1' 1 3 G H1' 6.000 3.000 7.000 5.710 5.629 5.811 . 0 0 "[ . 1 . 2]" 1
35 1 4 A H1' 1 4 A H8 4.000 . 4.800 3.779 3.774 3.788 . 0 0 "[ . 1 . 2]" 1
36 1 4 A H2' 1 4 A H8 4.500 . 5.400 3.920 3.882 3.957 . 0 0 "[ . 1 . 2]" 1
37 1 4 A H1' 1 4 A H2' 3.000 . 3.600 2.763 2.745 2.775 . 0 0 "[ . 1 . 2]" 1
38 1 4 A H1' 1 4 A H3' 4.000 . 4.800 3.809 3.799 3.818 . 0 0 "[ . 1 . 2]" 1
39 1 4 A H1' 1 4 A H4' 3.500 . 4.200 3.214 3.185 3.263 . 0 0 "[ . 1 . 2]" 1
40 1 4 A H1' 1 4 A Q5' 6.000 3.000 7.000 4.324 4.313 4.338 . 0 0 "[ . 1 . 2]" 1
41 1 3 G H8 1 4 A H8 5.000 . 6.000 4.720 4.644 4.771 . 0 0 "[ . 1 . 2]" 1
42 1 3 G H1' 1 4 A H8 4.500 . 5.400 4.728 4.702 4.754 . 0 0 "[ . 1 . 2]" 1
43 1 3 G H2' 1 4 A H8 2.000 . 2.400 2.147 2.128 2.164 . 0 0 "[ . 1 . 2]" 1
44 1 3 G H1' 1 4 A H1' 6.000 3.000 7.000 5.833 5.720 5.965 . 0 0 "[ . 1 . 2]" 1
45 1 5 A H1' 1 5 A H8 4.000 . 4.800 3.783 3.773 3.796 . 0 0 "[ . 1 . 2]" 1
46 1 5 A H2' 1 5 A H8 4.500 . 5.400 3.923 3.884 3.961 . 0 0 "[ . 1 . 2]" 1
47 1 5 A H1' 1 5 A H2' 3.000 . 3.600 2.754 2.738 2.774 . 0 0 "[ . 1 . 2]" 1
48 1 5 A H1' 1 5 A H3' 4.000 . 4.800 3.804 3.785 3.818 . 0 0 "[ . 1 . 2]" 1
49 1 5 A H1' 1 5 A H4' 3.500 . 4.200 3.248 3.211 3.308 . 0 0 "[ . 1 . 2]" 1
50 1 5 A H1' 1 5 A Q5' 6.000 3.000 7.000 4.332 4.318 4.356 . 0 0 "[ . 1 . 2]" 1
51 1 4 A H8 1 5 A H8 5.000 . 6.000 4.647 4.602 4.691 . 0 0 "[ . 1 . 2]" 1
52 1 4 A H1' 1 5 A H8 4.500 . 5.400 4.729 4.700 4.759 . 0 0 "[ . 1 . 2]" 1
53 1 4 A H2' 1 5 A H8 2.000 . 2.400 2.097 2.057 2.134 . 0 0 "[ . 1 . 2]" 1
54 1 4 A H1' 1 5 A H1' 6.000 3.000 7.000 5.707 5.629 5.784 . 0 0 "[ . 1 . 2]" 1
55 1 4 A H2' 1 5 A H1' 6.000 3.000 7.000 4.090 4.028 4.160 . 0 0 "[ . 1 . 2]" 1
56 1 6 G H1' 1 6 G H8 4.000 . 4.800 3.777 3.766 3.786 . 0 0 "[ . 1 . 2]" 1
57 1 6 G H2' 1 6 G H8 4.500 . 5.400 3.870 3.787 3.909 . 0 0 "[ . 1 . 2]" 1
58 1 6 G H1' 1 6 G H2' 3.000 . 3.600 2.784 2.762 2.819 . 0 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 314
_Distance_constraint_stats_list.Viol_count 203
_Distance_constraint_stats_list.Viol_total 660.410
_Distance_constraint_stats_list.Viol_max 0.487
_Distance_constraint_stats_list.Viol_rms 0.0362
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0053
_Distance_constraint_stats_list.Viol_average_violations_only 0.1627
_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 5 A 0.000 0.000 . 0 "[ . 1 . 2]"
1 6 G 0.000 0.000 . 0 "[ . 1 . 2]"
1 7 A 3.239 0.243 20 0 "[ . 1 . 2]"
1 8 U 15.943 0.442 10 0 "[ . 1 . 2]"
1 9 C 11.542 0.442 10 0 "[ . 1 . 2]"
1 10 U 6.011 0.323 8 0 "[ . 1 . 2]"
1 11 G 6.761 0.360 4 0 "[ . 1 . 2]"
1 12 G 6.761 0.360 4 0 "[ . 1 . 2]"
1 13 C 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 C 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 U 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 U 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 C 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 C 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 C 0.328 0.188 17 0 "[ . 1 . 2]"
1 20 A 1.720 0.188 17 0 "[ . 1 . 2]"
1 21 C 2.503 0.163 12 0 "[ . 1 . 2]"
1 22 A 1.474 0.487 20 0 "[ . 1 . 2]"
1 23 A 0.792 0.487 20 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 5 A H1' 1 6 G H8 4.500 . 5.400 4.693 4.648 4.744 . 0 0 "[ . 1 . 2]" 2
2 1 5 A H2' 1 6 G H8 2.000 . 2.400 2.134 2.109 2.149 . 0 0 "[ . 1 . 2]" 2
3 1 5 A H1' 1 6 G H1' 6.000 3.000 7.000 5.670 5.563 5.766 . 0 0 "[ . 1 . 2]" 2
4 1 7 A H1' 1 7 A H8 4.000 . 4.800 3.782 3.775 3.791 . 0 0 "[ . 1 . 2]" 2
5 1 7 A H2' 1 7 A H8 4.500 . 5.400 3.805 3.747 3.862 . 0 0 "[ . 1 . 2]" 2
6 1 7 A H1' 1 7 A H2' 3.000 . 3.600 2.814 2.783 2.848 . 0 0 "[ . 1 . 2]" 2
7 1 7 A H1' 1 7 A H3' 4.000 . 4.800 3.850 3.829 3.869 . 0 0 "[ . 1 . 2]" 2
8 1 7 A H1' 1 7 A H4' 3.500 . 4.200 3.070 2.986 3.177 . 0 0 "[ . 1 . 2]" 2
9 1 7 A H1' 1 7 A Q5' 6.000 3.000 7.000 4.279 4.233 4.321 . 0 0 "[ . 1 . 2]" 2
10 1 6 G H8 1 7 A H8 5.000 . 6.000 4.530 4.415 4.653 . 0 0 "[ . 1 . 2]" 2
11 1 6 G H1' 1 7 A H8 4.500 . 5.400 4.719 4.659 4.769 . 0 0 "[ . 1 . 2]" 2
12 1 6 G H2' 1 7 A H8 2.000 . 2.400 2.151 2.112 2.184 . 0 0 "[ . 1 . 2]" 2
13 1 6 G H2' 1 7 A H1' 4.500 . 5.400 4.109 4.031 4.246 . 0 0 "[ . 1 . 2]" 2
14 1 6 G H1' 1 7 A H1' 6.000 3.000 7.000 5.664 5.593 5.744 . 0 0 "[ . 1 . 2]" 2
15 1 8 U H1' 1 8 U H6 4.000 . 4.800 3.697 3.599 3.732 . 0 0 "[ . 1 . 2]" 2
16 1 8 U H2' 1 8 U H6 4.000 . 4.800 2.592 2.258 3.441 . 0 0 "[ . 1 . 2]" 2
17 1 8 U H3' 1 8 U H6 4.000 . 4.800 3.882 3.189 4.201 . 0 0 "[ . 1 . 2]" 2
18 1 8 U H4' 1 8 U H6 5.000 2.200 5.800 4.446 4.234 4.569 . 0 0 "[ . 1 . 2]" 2
19 1 8 U Q5' 1 8 U H6 6.000 3.000 7.000 3.653 3.480 3.908 . 0 0 "[ . 1 . 2]" 2
20 1 8 U H1' 1 8 U H5 5.000 . 6.000 5.417 5.350 5.442 . 0 0 "[ . 1 . 2]" 2
21 1 8 U H2' 1 8 U H5 6.000 3.000 7.000 4.540 4.345 4.989 . 0 0 "[ . 1 . 2]" 2
22 1 8 U H3' 1 8 U H5 5.500 2.700 6.500 6.184 5.274 6.581 0.081 11 0 "[ . 1 . 2]" 2
23 1 8 U H4' 1 8 U H5 6.000 3.000 7.000 6.751 6.615 6.844 . 0 0 "[ . 1 . 2]" 2
24 1 8 U H5 1 8 U Q5' 6.000 3.000 7.000 5.625 5.380 6.001 . 0 0 "[ . 1 . 2]" 2
25 1 8 U H1' 1 8 U H2' 3.000 . 3.600 3.006 2.899 3.048 . 0 0 "[ . 1 . 2]" 2
26 1 8 U H1' 1 8 U H3' 5.000 2.200 6.000 3.841 3.781 3.889 . 0 0 "[ . 1 . 2]" 2
27 1 8 U H1' 1 8 U H4' 4.000 3.000 4.800 3.095 2.654 3.266 0.346 2 0 "[ . 1 . 2]" 2
28 1 7 A H8 1 8 U H6 5.000 . 6.000 4.854 4.506 5.081 . 0 0 "[ . 1 . 2]" 2
29 1 7 A H1' 1 8 U H6 4.000 . 4.800 4.962 4.802 5.043 0.243 20 0 "[ . 1 . 2]" 2
30 1 7 A H2' 1 8 U H6 2.000 . 2.400 2.237 2.156 2.280 . 0 0 "[ . 1 . 2]" 2
31 1 7 A H1' 1 8 U H5 5.000 . 6.000 5.594 5.354 5.943 . 0 0 "[ . 1 . 2]" 2
32 1 7 A H2' 1 8 U H5 3.500 . 4.200 3.557 3.292 3.957 . 0 0 "[ . 1 . 2]" 2
33 1 7 A H8 1 8 U H5 4.000 . 4.800 3.900 3.646 4.240 . 0 0 "[ . 1 . 2]" 2
34 1 7 A H2' 1 8 U H1' 4.500 . 5.400 4.442 4.106 4.603 . 0 0 "[ . 1 . 2]" 2
35 1 7 A H1' 1 8 U H1' 6.000 3.000 7.000 6.247 5.674 6.583 . 0 0 "[ . 1 . 2]" 2
36 1 9 C H1' 1 9 C H6 4.000 . 4.800 3.555 3.529 3.574 . 0 0 "[ . 1 . 2]" 2
37 1 9 C H2' 1 9 C H6 4.000 . 4.800 3.979 3.914 4.035 . 0 0 "[ . 1 . 2]" 2
38 1 9 C H1' 1 9 C H5 5.000 . 6.000 5.327 5.308 5.340 . 0 0 "[ . 1 . 2]" 2
39 1 9 C H2' 1 9 C H5 5.000 . 6.000 5.449 5.392 5.534 . 0 0 "[ . 1 . 2]" 2
40 1 9 C H1' 1 9 C H2' 3.000 . 3.600 2.698 2.670 2.728 . 0 0 "[ . 1 . 2]" 2
41 1 8 U H6 1 9 C H6 5.000 . 6.000 5.735 5.421 6.038 0.038 19 0 "[ . 1 . 2]" 2
42 1 8 U H1' 1 9 C H6 4.500 . 5.400 4.797 4.188 5.654 0.254 12 0 "[ . 1 . 2]" 2
43 1 8 U H2' 1 9 C H6 3.000 2.800 3.400 3.335 2.774 3.617 0.217 10 0 "[ . 1 . 2]" 2
44 1 8 U H3' 1 9 C H6 5.000 . 6.000 3.879 3.448 4.170 . 0 0 "[ . 1 . 2]" 2
45 1 8 U H4' 1 9 C H6 5.000 2.800 5.800 5.874 5.663 6.002 0.202 7 0 "[ . 1 . 2]" 2
46 1 8 U Q5' 1 9 C H6 5.000 . 6.000 5.993 5.733 6.151 0.151 14 0 "[ . 1 . 2]" 2
47 1 8 U H1' 1 9 C H5 6.000 2.800 7.000 6.249 5.657 7.025 0.025 12 0 "[ . 1 . 2]" 2
48 1 8 U H3' 1 9 C H5 5.000 . 6.000 3.883 3.485 4.122 . 0 0 "[ . 1 . 2]" 2
49 1 8 U H6 1 9 C H5 5.000 . 6.000 5.800 5.514 6.095 0.095 19 0 "[ . 1 . 2]" 2
50 1 8 U H5 1 9 C H5 6.000 3.000 7.000 7.238 6.778 7.442 0.442 10 0 "[ . 1 . 2]" 2
51 1 8 U H1' 1 9 C H1' 6.000 3.000 7.000 6.552 5.976 7.390 0.390 12 0 "[ . 1 . 2]" 2
52 1 10 U H1' 1 10 U H6 4.000 . 4.800 3.593 3.584 3.601 . 0 0 "[ . 1 . 2]" 2
53 1 10 U H2' 1 10 U H6 4.000 . 4.800 3.896 3.841 3.954 . 0 0 "[ . 1 . 2]" 2
54 1 10 U H2' 1 10 U H5 6.000 3.000 7.000 5.411 5.336 5.495 . 0 0 "[ . 1 . 2]" 2
55 1 10 U H1' 1 10 U H2' 6.000 3.000 7.000 2.699 2.677 2.716 0.323 8 0 "[ . 1 . 2]" 2
56 1 10 U H1' 1 10 U H4' 4.000 . 4.800 3.402 3.341 3.477 . 0 0 "[ . 1 . 2]" 2
57 1 10 U H1' 1 10 U Q5' 6.000 3.000 7.000 4.383 4.362 4.399 . 0 0 "[ . 1 . 2]" 2
58 1 10 U H1' 1 10 U H5 5.000 . 6.000 5.347 5.335 5.355 . 0 0 "[ . 1 . 2]" 2
59 1 10 U H5 1 10 U Q5' 6.000 3.000 7.000 4.942 4.746 5.113 . 0 0 "[ . 1 . 2]" 2
60 1 9 C H6 1 10 U H6 5.000 . 6.000 5.270 5.118 5.437 . 0 0 "[ . 1 . 2]" 2
61 1 9 C H5 1 10 U H6 6.000 3.000 7.000 6.135 5.958 6.321 . 0 0 "[ . 1 . 2]" 2
62 1 9 C H1' 1 10 U H6 4.500 . 5.400 4.787 4.746 4.834 . 0 0 "[ . 1 . 2]" 2
63 1 9 C H2' 1 10 U H6 2.000 . 2.400 2.137 2.095 2.211 . 0 0 "[ . 1 . 2]" 2
64 1 9 C H5 1 10 U H5 4.000 . 4.800 4.422 4.066 4.728 . 0 0 "[ . 1 . 2]" 2
65 1 9 C H6 1 10 U H5 4.000 . 4.800 4.435 4.115 4.696 . 0 0 "[ . 1 . 2]" 2
66 1 9 C H1' 1 10 U H5 5.000 . 6.000 5.472 5.310 5.651 . 0 0 "[ . 1 . 2]" 2
67 1 9 C H1' 1 10 U H1' 6.000 3.000 7.000 5.912 5.732 6.078 . 0 0 "[ . 1 . 2]" 2
68 1 9 C H2' 1 10 U H1' 4.500 . 5.400 4.242 4.147 4.314 . 0 0 "[ . 1 . 2]" 2
69 1 11 G H4' 1 11 G H8 4.650 . 5.650 4.411 4.363 4.455 . 0 0 "[ . 1 . 2]" 2
70 1 11 G H3' 1 11 G H8 3.900 2.200 5.000 2.992 2.933 3.037 . 0 0 "[ . 1 . 2]" 2
71 1 11 G H2' 1 11 G H8 4.500 . 5.400 4.100 4.071 4.159 . 0 0 "[ . 1 . 2]" 2
72 1 11 G H1' 1 11 G H8 4.000 . 4.800 3.723 3.704 3.730 . 0 0 "[ . 1 . 2]" 2
73 1 11 G H1' 1 11 G H2' 3.000 . 3.600 2.736 2.718 2.756 . 0 0 "[ . 1 . 2]" 2
74 1 11 G H1' 1 11 G H3' 4.000 . 4.800 3.760 3.745 3.773 . 0 0 "[ . 1 . 2]" 2
75 1 11 G H1' 1 11 G H4' 3.500 . 4.200 3.176 3.115 3.241 . 0 0 "[ . 1 . 2]" 2
76 1 11 G H1' 1 11 G Q5' 6.000 3.000 7.000 4.292 4.267 4.316 . 0 0 "[ . 1 . 2]" 2
77 1 10 U H6 1 11 G H8 5.000 . 6.000 4.657 4.558 4.774 . 0 0 "[ . 1 . 2]" 2
78 1 10 U H1' 1 11 G H8 4.500 . 5.400 4.508 4.432 4.587 . 0 0 "[ . 1 . 2]" 2
79 1 10 U H2' 1 11 G H8 2.000 . 2.400 2.156 2.118 2.210 . 0 0 "[ . 1 . 2]" 2
80 1 10 U H1' 1 11 G H1' 6.000 3.000 7.000 5.541 5.374 5.713 . 0 0 "[ . 1 . 2]" 2
81 1 10 U H2' 1 11 G H1' 4.500 . 5.400 4.045 3.954 4.107 . 0 0 "[ . 1 . 2]" 2
82 1 12 G Q5' 1 12 G H8 4.500 . 5.400 3.259 3.216 3.303 . 0 0 "[ . 1 . 2]" 2
83 1 12 G H4' 1 12 G H8 4.500 . 5.400 4.165 4.144 4.191 . 0 0 "[ . 1 . 2]" 2
84 1 12 G H2' 1 12 G H8 4.500 . 5.400 4.132 4.108 4.166 . 0 0 "[ . 1 . 2]" 2
85 1 12 G H3' 1 12 G H8 3.500 . 4.200 2.889 2.844 2.942 . 0 0 "[ . 1 . 2]" 2
86 1 12 G H1' 1 12 G H8 4.000 . 4.800 3.735 3.722 3.743 . 0 0 "[ . 1 . 2]" 2
87 1 12 G H1' 1 12 G H2' 3.000 . 3.600 2.699 2.687 2.713 . 0 0 "[ . 1 . 2]" 2
88 1 12 G H1' 1 12 G H3' 4.000 . 4.800 3.763 3.753 3.777 . 0 0 "[ . 1 . 2]" 2
89 1 12 G H1' 1 12 G H4' 3.500 . 4.200 3.388 3.362 3.410 . 0 0 "[ . 1 . 2]" 2
90 1 12 G H1' 1 12 G Q5' 6.000 3.000 7.000 4.386 4.380 4.390 . 0 0 "[ . 1 . 2]" 2
91 1 11 G H2' 1 12 G Q5' 4.650 . 5.650 2.874 2.784 2.927 . 0 0 "[ . 1 . 2]" 2
92 1 11 G H2' 1 12 G H4' 4.650 . 5.650 4.394 4.274 4.464 . 0 0 "[ . 1 . 2]" 2
93 1 11 G H2' 1 12 G H2' 6.000 3.000 7.000 5.576 5.500 5.641 . 0 0 "[ . 1 . 2]" 2
94 1 11 G H2' 1 12 G H3' 4.650 . 5.650 4.386 4.327 4.443 . 0 0 "[ . 1 . 2]" 2
95 1 11 G H2' 1 12 G H8 2.500 2.300 2.900 1.962 1.940 1.990 0.360 4 0 "[ . 1 . 2]" 2
96 1 11 G H3' 1 12 G H8 3.500 . 4.200 2.849 2.745 2.917 . 0 0 "[ . 1 . 2]" 2
97 1 11 G H8 1 12 G H8 5.000 . 6.000 4.673 4.562 4.768 . 0 0 "[ . 1 . 2]" 2
98 1 11 G H4' 1 12 G H8 6.000 3.000 7.000 5.193 5.159 5.237 . 0 0 "[ . 1 . 2]" 2
99 1 11 G H1' 1 12 G H8 4.500 . 5.400 4.541 4.505 4.592 . 0 0 "[ . 1 . 2]" 2
100 1 11 G H2' 1 12 G H1' 4.500 . 5.400 4.313 4.215 4.378 . 0 0 "[ . 1 . 2]" 2
101 1 11 G H1' 1 12 G H1' 6.000 3.000 7.000 6.181 6.039 6.295 . 0 0 "[ . 1 . 2]" 2
102 1 13 C Q5' 1 13 C H6 6.000 3.000 7.000 3.257 3.200 3.325 . 0 0 "[ . 1 . 2]" 2
103 1 13 C H2' 1 13 C H5 6.000 3.000 7.000 5.293 5.260 5.320 . 0 0 "[ . 1 . 2]" 2
104 1 13 C H2' 1 13 C H6 4.000 . 4.800 3.767 3.742 3.787 . 0 0 "[ . 1 . 2]" 2
105 1 13 C H3' 1 13 C H6 3.000 . 3.600 2.545 2.509 2.591 . 0 0 "[ . 1 . 2]" 2
106 1 13 C H1' 1 13 C H6 4.000 . 4.800 3.605 3.598 3.610 . 0 0 "[ . 1 . 2]" 2
107 1 13 C H1' 1 13 C H5 6.000 3.000 7.000 5.354 5.345 5.360 . 0 0 "[ . 1 . 2]" 2
108 1 13 C H1' 1 13 C H2' 3.000 . 3.600 2.747 2.737 2.757 . 0 0 "[ . 1 . 2]" 2
109 1 13 C H1' 1 13 C H3' 4.000 . 4.800 3.786 3.780 3.793 . 0 0 "[ . 1 . 2]" 2
110 1 13 C H1' 1 13 C H4' 3.500 . 4.200 3.271 3.230 3.305 . 0 0 "[ . 1 . 2]" 2
111 1 13 C H1' 1 13 C Q5' 6.000 3.000 7.000 4.347 4.336 4.359 . 0 0 "[ . 1 . 2]" 2
112 1 12 G H1' 1 13 C H6 4.500 . 5.400 4.700 4.669 4.721 . 0 0 "[ . 1 . 2]" 2
113 1 12 G H1' 1 13 C H5 5.000 . 6.000 5.501 5.451 5.569 . 0 0 "[ . 1 . 2]" 2
114 1 12 G H2' 1 13 C H5 3.500 . 4.200 3.606 3.562 3.691 . 0 0 "[ . 1 . 2]" 2
115 1 12 G H2' 1 13 C H6 2.000 . 2.400 2.104 2.086 2.139 . 0 0 "[ . 1 . 2]" 2
116 1 12 G H3' 1 13 C H5 3.500 . 4.200 3.487 3.411 3.586 . 0 0 "[ . 1 . 2]" 2
117 1 12 G H3' 1 13 C H6 3.500 . 4.200 3.202 3.156 3.244 . 0 0 "[ . 1 . 2]" 2
118 1 12 G H8 1 13 C H5 4.000 . 4.800 4.384 4.343 4.452 . 0 0 "[ . 1 . 2]" 2
119 1 12 G H8 1 13 C H6 5.000 . 6.000 5.196 5.157 5.232 . 0 0 "[ . 1 . 2]" 2
120 1 12 G H4' 1 13 C H6 5.000 . 6.000 5.475 5.447 5.508 . 0 0 "[ . 1 . 2]" 2
121 1 12 G H2' 1 13 C H1' 4.500 . 5.400 4.015 3.955 4.054 . 0 0 "[ . 1 . 2]" 2
122 1 12 G H1' 1 13 C H1' 6.000 3.000 7.000 5.497 5.432 5.535 . 0 0 "[ . 1 . 2]" 2
123 1 14 C Q5' 1 14 C H6 6.000 3.000 7.000 3.221 3.168 3.287 . 0 0 "[ . 1 . 2]" 2
124 1 14 C H2' 1 14 C H5 6.000 3.000 7.000 5.220 5.120 5.287 . 0 0 "[ . 1 . 2]" 2
125 1 14 C H2' 1 14 C H6 4.000 . 4.800 3.660 3.610 3.704 . 0 0 "[ . 1 . 2]" 2
126 1 14 C H3' 1 14 C H6 3.000 . 3.600 2.427 2.381 2.467 . 0 0 "[ . 1 . 2]" 2
127 1 14 C H1' 1 14 C H6 4.000 . 4.800 3.632 3.626 3.643 . 0 0 "[ . 1 . 2]" 2
128 1 14 C H1' 1 14 C H5 6.000 3.000 7.000 5.372 5.364 5.389 . 0 0 "[ . 1 . 2]" 2
129 1 14 C H1' 1 14 C H2' 3.000 . 3.600 2.754 2.741 2.769 . 0 0 "[ . 1 . 2]" 2
130 1 14 C H1' 1 14 C H3' 4.000 . 4.800 3.800 3.787 3.810 . 0 0 "[ . 1 . 2]" 2
131 1 14 C H1' 1 14 C H4' 3.500 . 4.200 3.286 3.241 3.315 . 0 0 "[ . 1 . 2]" 2
132 1 14 C H1' 1 14 C Q5' 6.000 3.000 7.000 4.355 4.341 4.364 . 0 0 "[ . 1 . 2]" 2
133 1 13 C H1' 1 14 C H1' 5.900 2.900 6.900 5.602 5.553 5.675 . 0 0 "[ . 1 . 2]" 2
134 1 13 C H2' 1 14 C H1' 4.500 . 5.400 4.127 4.084 4.177 . 0 0 "[ . 1 . 2]" 2
135 1 13 C H1' 1 14 C H6 4.500 . 5.400 4.833 4.808 4.865 . 0 0 "[ . 1 . 2]" 2
136 1 13 C H1' 1 14 C H5 5.000 . 6.000 5.565 5.495 5.675 . 0 0 "[ . 1 . 2]" 2
137 1 13 C H2' 1 14 C H5 3.500 . 4.200 3.466 3.406 3.553 . 0 0 "[ . 1 . 2]" 2
138 1 13 C H2' 1 14 C H6 2.000 . 2.400 2.145 2.122 2.177 . 0 0 "[ . 1 . 2]" 2
139 1 13 C H3' 1 14 C H6 3.500 . 4.200 3.364 3.314 3.412 . 0 0 "[ . 1 . 2]" 2
140 1 13 C H3' 1 14 C H5 3.500 . 4.200 3.532 3.437 3.675 . 0 0 "[ . 1 . 2]" 2
141 1 13 C H5 1 14 C H5 4.000 . 4.800 4.229 4.124 4.341 . 0 0 "[ . 1 . 2]" 2
142 1 13 C H6 1 14 C H5 4.000 . 4.800 4.273 4.207 4.389 . 0 0 "[ . 1 . 2]" 2
143 1 13 C H6 1 14 C H6 5.000 . 6.000 5.056 4.986 5.106 . 0 0 "[ . 1 . 2]" 2
144 1 15 U Q5' 1 15 U H6 6.000 3.000 7.000 3.144 3.093 3.196 . 0 0 "[ . 1 . 2]" 2
145 1 15 U H2' 1 15 U H5 6.000 3.000 7.000 5.260 5.216 5.309 . 0 0 "[ . 1 . 2]" 2
146 1 15 U H2' 1 15 U H6 4.000 . 4.800 3.743 3.715 3.775 . 0 0 "[ . 1 . 2]" 2
147 1 15 U H3' 1 15 U H6 3.000 . 3.600 2.592 2.562 2.624 . 0 0 "[ . 1 . 2]" 2
148 1 15 U H1' 1 15 U H6 4.000 . 4.800 3.618 3.610 3.623 . 0 0 "[ . 1 . 2]" 2
149 1 15 U H1' 1 15 U H5 6.000 3.000 7.000 5.362 5.355 5.370 . 0 0 "[ . 1 . 2]" 2
150 1 15 U H1' 1 15 U H2' 3.000 . 3.600 2.734 2.722 2.746 . 0 0 "[ . 1 . 2]" 2
151 1 15 U H1' 1 15 U H3' 4.000 . 4.800 3.812 3.800 3.821 . 0 0 "[ . 1 . 2]" 2
152 1 15 U H1' 1 15 U H4' 3.500 . 4.200 3.291 3.259 3.317 . 0 0 "[ . 1 . 2]" 2
153 1 15 U H1' 1 15 U Q5' 6.000 3.000 7.000 4.373 4.360 4.379 . 0 0 "[ . 1 . 2]" 2
154 1 14 C H1' 1 15 U H1' 5.900 2.900 6.900 6.298 6.252 6.382 . 0 0 "[ . 1 . 2]" 2
155 1 14 C H2' 1 15 U H1' 4.500 . 5.400 4.590 4.548 4.683 . 0 0 "[ . 1 . 2]" 2
156 1 14 C H1' 1 15 U H6 4.500 . 5.400 4.776 4.752 4.799 . 0 0 "[ . 1 . 2]" 2
157 1 14 C H1' 1 15 U H5 5.000 . 6.000 5.286 5.225 5.369 . 0 0 "[ . 1 . 2]" 2
158 1 14 C H2' 1 15 U H5 3.500 . 4.200 3.190 3.093 3.276 . 0 0 "[ . 1 . 2]" 2
159 1 14 C H2' 1 15 U H6 2.000 . 2.400 2.084 2.069 2.105 . 0 0 "[ . 1 . 2]" 2
160 1 14 C H3' 1 15 U H6 3.500 . 4.200 3.424 3.373 3.486 . 0 0 "[ . 1 . 2]" 2
161 1 14 C H3' 1 15 U H5 3.500 . 4.200 3.471 3.394 3.553 . 0 0 "[ . 1 . 2]" 2
162 1 14 C H5 1 15 U H5 4.000 . 4.800 4.090 3.905 4.151 . 0 0 "[ . 1 . 2]" 2
163 1 14 C H6 1 15 U H5 4.000 . 4.800 4.047 3.987 4.096 . 0 0 "[ . 1 . 2]" 2
164 1 14 C H6 1 15 U H6 5.000 . 6.000 5.000 4.955 5.063 . 0 0 "[ . 1 . 2]" 2
165 1 16 U Q5' 1 16 U H6 6.000 3.000 7.000 3.372 3.313 3.420 . 0 0 "[ . 1 . 2]" 2
166 1 16 U H2' 1 16 U H5 6.000 3.000 7.000 5.229 5.173 5.266 . 0 0 "[ . 1 . 2]" 2
167 1 16 U H2' 1 16 U H6 4.000 . 4.800 3.691 3.647 3.720 . 0 0 "[ . 1 . 2]" 2
168 1 16 U H3' 1 16 U H6 3.000 . 3.600 2.596 2.569 2.627 . 0 0 "[ . 1 . 2]" 2
169 1 16 U H1' 1 16 U H6 4.000 . 4.800 3.611 3.601 3.620 . 0 0 "[ . 1 . 2]" 2
170 1 16 U H1' 1 16 U H5 6.000 3.000 7.000 5.358 5.348 5.367 . 0 0 "[ . 1 . 2]" 2
171 1 16 U H1' 1 16 U H2' 3.000 . 3.600 2.777 2.762 2.792 . 0 0 "[ . 1 . 2]" 2
172 1 16 U H1' 1 16 U H3' 4.000 . 4.800 3.812 3.805 3.821 . 0 0 "[ . 1 . 2]" 2
173 1 16 U H1' 1 16 U H4' 3.500 . 4.200 3.185 3.157 3.213 . 0 0 "[ . 1 . 2]" 2
174 1 16 U H1' 1 16 U Q5' 6.000 3.000 7.000 4.315 4.303 4.324 . 0 0 "[ . 1 . 2]" 2
175 1 15 U H1' 1 16 U H1' 5.900 2.900 6.900 5.418 5.338 5.516 . 0 0 "[ . 1 . 2]" 2
176 1 15 U H2' 1 16 U H1' 4.500 . 5.400 4.024 3.968 4.111 . 0 0 "[ . 1 . 2]" 2
177 1 15 U H1' 1 16 U H6 4.500 . 5.400 4.638 4.603 4.669 . 0 0 "[ . 1 . 2]" 2
178 1 15 U H1' 1 16 U H5 5.000 . 6.000 5.502 5.436 5.552 . 0 0 "[ . 1 . 2]" 2
179 1 15 U H2' 1 16 U H5 3.500 . 4.200 3.511 3.400 3.584 . 0 0 "[ . 1 . 2]" 2
180 1 15 U H2' 1 16 U H6 2.000 . 2.400 2.002 1.976 2.050 . 0 0 "[ . 1 . 2]" 2
181 1 15 U H3' 1 16 U H6 3.500 . 4.200 3.223 3.163 3.280 . 0 0 "[ . 1 . 2]" 2
182 1 15 U H3' 1 16 U H5 3.500 . 4.200 3.599 3.525 3.685 . 0 0 "[ . 1 . 2]" 2
183 1 15 U H5 1 16 U H5 4.000 . 4.800 3.978 3.914 4.050 . 0 0 "[ . 1 . 2]" 2
184 1 15 U H6 1 16 U H5 4.000 . 4.800 4.139 4.088 4.191 . 0 0 "[ . 1 . 2]" 2
185 1 15 U H6 1 16 U H6 5.000 . 6.000 4.808 4.749 4.874 . 0 0 "[ . 1 . 2]" 2
186 1 17 C Q5' 1 17 C H6 6.000 3.000 7.000 3.324 3.289 3.357 . 0 0 "[ . 1 . 2]" 2
187 1 17 C H2' 1 17 C H5 6.000 3.000 7.000 5.266 5.217 5.323 . 0 0 "[ . 1 . 2]" 2
188 1 17 C H2' 1 17 C H6 4.000 . 4.800 3.745 3.701 3.780 . 0 0 "[ . 1 . 2]" 2
189 1 17 C H3' 1 17 C H6 3.000 . 3.600 2.658 2.635 2.698 . 0 0 "[ . 1 . 2]" 2
190 1 17 C H1' 1 17 C H6 4.000 . 4.800 3.596 3.586 3.603 . 0 0 "[ . 1 . 2]" 2
191 1 17 C H1' 1 17 C H5 6.000 3.000 7.000 5.347 5.337 5.355 . 0 0 "[ . 1 . 2]" 2
192 1 17 C H1' 1 17 C H2' 3.000 . 3.600 2.770 2.762 2.779 . 0 0 "[ . 1 . 2]" 2
193 1 17 C H1' 1 17 C H3' 4.000 . 4.800 3.810 3.801 3.818 . 0 0 "[ . 1 . 2]" 2
194 1 17 C H1' 1 17 C H4' 3.500 . 4.200 3.178 3.153 3.200 . 0 0 "[ . 1 . 2]" 2
195 1 17 C H1' 1 17 C Q5' 6.000 3.000 7.000 4.299 4.289 4.309 . 0 0 "[ . 1 . 2]" 2
196 1 16 U H1' 1 17 C H1' 5.900 2.900 6.900 6.127 6.066 6.192 . 0 0 "[ . 1 . 2]" 2
197 1 16 U H2' 1 17 C H1' 4.500 . 5.400 4.411 4.352 4.460 . 0 0 "[ . 1 . 2]" 2
198 1 16 U H1' 1 17 C H6 4.500 . 5.400 4.763 4.719 4.789 . 0 0 "[ . 1 . 2]" 2
199 1 16 U H1' 1 17 C H5 5.000 . 6.000 5.385 5.299 5.463 . 0 0 "[ . 1 . 2]" 2
200 1 16 U H2' 1 17 C H5 3.500 . 4.200 3.401 3.265 3.458 . 0 0 "[ . 1 . 2]" 2
201 1 16 U H2' 1 17 C H6 2.000 . 2.400 2.075 2.028 2.105 . 0 0 "[ . 1 . 2]" 2
202 1 16 U H3' 1 17 C H6 3.500 . 4.200 3.347 3.285 3.397 . 0 0 "[ . 1 . 2]" 2
203 1 16 U H3' 1 17 C H5 3.500 . 4.200 3.669 3.612 3.775 . 0 0 "[ . 1 . 2]" 2
204 1 16 U H5 1 17 C H5 4.000 . 4.800 3.857 3.800 3.934 . 0 0 "[ . 1 . 2]" 2
205 1 16 U H6 1 17 C H5 4.000 . 4.800 3.996 3.925 4.052 . 0 0 "[ . 1 . 2]" 2
206 1 16 U H6 1 17 C H6 5.000 . 6.000 4.853 4.817 4.903 . 0 0 "[ . 1 . 2]" 2
207 1 18 C Q5' 1 18 C H6 6.000 3.000 7.000 3.468 3.438 3.521 . 0 0 "[ . 1 . 2]" 2
208 1 18 C H2' 1 18 C H5 6.000 3.000 7.000 5.212 5.166 5.248 . 0 0 "[ . 1 . 2]" 2
209 1 18 C H2' 1 18 C H6 4.000 . 4.800 3.698 3.667 3.720 . 0 0 "[ . 1 . 2]" 2
210 1 18 C H3' 1 18 C H6 3.000 . 3.600 2.755 2.713 2.834 . 0 0 "[ . 1 . 2]" 2
211 1 18 C H1' 1 18 C H6 4.000 . 4.800 3.599 3.593 3.607 . 0 0 "[ . 1 . 2]" 2
212 1 18 C H1' 1 18 C H5 6.000 3.000 7.000 5.351 5.345 5.359 . 0 0 "[ . 1 . 2]" 2
213 1 18 C H1' 1 18 C H2' 3.000 . 3.600 2.797 2.786 2.813 . 0 0 "[ . 1 . 2]" 2
214 1 18 C H1' 1 18 C H3' 4.000 . 4.800 3.829 3.824 3.844 . 0 0 "[ . 1 . 2]" 2
215 1 18 C H1' 1 18 C H4' 3.500 . 4.200 3.083 3.048 3.099 . 0 0 "[ . 1 . 2]" 2
216 1 18 C H1' 1 18 C Q5' 6.000 3.000 7.000 4.263 4.248 4.271 . 0 0 "[ . 1 . 2]" 2
217 1 17 C H1' 1 18 C H1' 5.900 2.900 6.900 6.192 6.070 6.316 . 0 0 "[ . 1 . 2]" 2
218 1 17 C H2' 1 18 C H1' 4.500 . 5.400 4.416 4.334 4.475 . 0 0 "[ . 1 . 2]" 2
219 1 17 C H1' 1 18 C H6 4.500 . 5.400 4.754 4.725 4.795 . 0 0 "[ . 1 . 2]" 2
220 1 17 C H1' 1 18 C H5 5.000 . 6.000 5.414 5.333 5.486 . 0 0 "[ . 1 . 2]" 2
221 1 17 C H2' 1 18 C H5 3.500 . 4.200 3.599 3.549 3.687 . 0 0 "[ . 1 . 2]" 2
222 1 17 C H2' 1 18 C H6 2.000 . 2.400 2.136 2.106 2.160 . 0 0 "[ . 1 . 2]" 2
223 1 17 C H3' 1 18 C H6 3.500 . 4.200 3.349 3.288 3.421 . 0 0 "[ . 1 . 2]" 2
224 1 17 C H3' 1 18 C H5 3.500 . 4.200 3.899 3.788 3.992 . 0 0 "[ . 1 . 2]" 2
225 1 17 C H5 1 18 C H5 5.000 2.800 5.800 3.710 3.663 3.776 . 0 0 "[ . 1 . 2]" 2
226 1 17 C H6 1 18 C H5 4.000 . 4.800 4.061 3.960 4.138 . 0 0 "[ . 1 . 2]" 2
227 1 17 C H6 1 18 C H6 5.000 . 6.000 4.791 4.752 4.865 . 0 0 "[ . 1 . 2]" 2
228 1 19 C Q5' 1 19 C H6 6.000 3.000 7.000 3.568 3.514 3.690 . 0 0 "[ . 1 . 2]" 2
229 1 19 C H2' 1 19 C H5 6.000 3.000 7.000 5.175 5.125 5.245 . 0 0 "[ . 1 . 2]" 2
230 1 19 C H2' 1 19 C H6 4.000 . 4.800 3.650 3.578 3.707 . 0 0 "[ . 1 . 2]" 2
231 1 19 C H3' 1 19 C H6 3.000 . 3.600 2.781 2.669 3.042 . 0 0 "[ . 1 . 2]" 2
232 1 19 C H1' 1 19 C H6 4.000 . 4.800 3.607 3.601 3.619 . 0 0 "[ . 1 . 2]" 2
233 1 19 C H1' 1 19 C H5 6.000 3.000 7.000 5.355 5.344 5.361 . 0 0 "[ . 1 . 2]" 2
234 1 19 C H1' 1 19 C H2' 3.000 . 3.600 2.814 2.793 2.861 . 0 0 "[ . 1 . 2]" 2
235 1 19 C H1' 1 19 C H3' 4.000 . 4.800 3.838 3.821 3.874 . 0 0 "[ . 1 . 2]" 2
236 1 19 C H1' 1 19 C H4' 3.500 . 4.200 3.009 2.885 3.052 . 0 0 "[ . 1 . 2]" 2
237 1 19 C H1' 1 19 C Q5' 6.000 3.000 7.000 4.223 4.183 4.246 . 0 0 "[ . 1 . 2]" 2
238 1 18 C H1' 1 19 C H1' 5.900 2.900 6.900 6.148 6.060 6.497 . 0 0 "[ . 1 . 2]" 2
239 1 18 C H2' 1 19 C H1' 4.500 . 5.400 4.336 4.264 4.567 . 0 0 "[ . 1 . 2]" 2
240 1 18 C H1' 1 19 C H6 4.500 . 5.400 4.722 4.651 4.754 . 0 0 "[ . 1 . 2]" 2
241 1 18 C H1' 1 19 C H5 5.000 . 6.000 5.310 4.986 5.411 . 0 0 "[ . 1 . 2]" 2
242 1 18 C H2' 1 19 C H5 3.500 . 4.200 3.556 3.296 3.650 . 0 0 "[ . 1 . 2]" 2
243 1 18 C H2' 1 19 C H6 2.000 . 2.400 2.085 2.055 2.102 . 0 0 "[ . 1 . 2]" 2
244 1 18 C H3' 1 19 C H6 3.500 . 4.200 3.275 3.241 3.312 . 0 0 "[ . 1 . 2]" 2
245 1 18 C H3' 1 19 C H5 3.500 . 4.200 3.910 3.792 4.115 . 0 0 "[ . 1 . 2]" 2
246 1 18 C H5 1 19 C H5 4.000 . 4.800 3.378 3.252 3.467 . 0 0 "[ . 1 . 2]" 2
247 1 18 C H6 1 19 C H5 4.000 . 4.800 3.775 3.644 3.856 . 0 0 "[ . 1 . 2]" 2
248 1 18 C H6 1 19 C H6 5.000 . 6.000 4.600 4.490 4.684 . 0 0 "[ . 1 . 2]" 2
249 1 20 A Q5' 1 20 A H8 4.500 . 5.400 3.653 2.424 3.878 . 0 0 "[ . 1 . 2]" 2
250 1 20 A H4' 1 20 A H8 4.500 . 5.400 4.399 4.208 4.494 . 0 0 "[ . 1 . 2]" 2
251 1 20 A H2' 1 20 A H8 4.500 . 5.400 3.833 3.753 4.049 . 0 0 "[ . 1 . 2]" 2
252 1 20 A H3' 1 20 A H8 3.500 . 4.200 2.970 2.814 3.209 . 0 0 "[ . 1 . 2]" 2
253 1 20 A H1' 1 20 A H8 4.000 . 4.800 3.790 3.751 3.808 . 0 0 "[ . 1 . 2]" 2
254 1 20 A H1' 1 20 A H2' 3.000 . 3.600 2.780 2.730 2.812 . 0 0 "[ . 1 . 2]" 2
255 1 20 A H1' 1 20 A H3' 4.000 . 4.800 3.829 3.805 3.855 . 0 0 "[ . 1 . 2]" 2
256 1 20 A H1' 1 20 A H4' 3.500 . 4.200 3.155 2.993 3.397 . 0 0 "[ . 1 . 2]" 2
257 1 20 A H1' 1 20 A Q5' 6.000 3.000 7.000 4.296 4.232 4.351 . 0 0 "[ . 1 . 2]" 2
258 1 19 C H2' 1 20 A H8 2.000 . 2.400 2.196 2.135 2.489 0.089 17 0 "[ . 1 . 2]" 2
259 1 19 C H3' 1 20 A H8 3.000 . 4.000 2.608 2.460 3.017 . 0 0 "[ . 1 . 2]" 2
260 1 19 C H6 1 20 A H8 4.500 . 5.400 3.763 3.450 3.939 . 0 0 "[ . 1 . 2]" 2
261 1 19 C H5 1 20 A H8 5.000 . 6.000 4.536 4.094 4.764 . 0 0 "[ . 1 . 2]" 2
262 1 19 C H4' 1 20 A H8 4.500 . 5.500 5.265 5.149 5.688 0.188 17 0 "[ . 1 . 2]" 2
263 1 19 C H1' 1 20 A H8 4.500 . 5.400 4.696 4.617 5.033 . 0 0 "[ . 1 . 2]" 2
264 1 19 C H2' 1 20 A H1' 3.500 . 4.200 3.709 3.535 4.019 . 0 0 "[ . 1 . 2]" 2
265 1 19 C H1' 1 20 A H1' 6.000 3.000 7.000 5.493 5.282 6.194 . 0 0 "[ . 1 . 2]" 2
266 1 21 C Q5' 1 21 C H6 6.000 3.000 7.000 3.642 3.610 3.741 . 0 0 "[ . 1 . 2]" 2
267 1 21 C H2' 1 21 C H5 6.000 3.000 7.000 4.353 4.310 4.370 . 0 0 "[ . 1 . 2]" 2
268 1 21 C H2' 1 21 C H6 4.000 . 4.800 2.243 2.227 2.291 . 0 0 "[ . 1 . 2]" 2
269 1 21 C H3' 1 21 C H6 3.000 . 4.000 4.026 3.712 4.163 0.163 12 0 "[ . 1 . 2]" 2
270 1 21 C H1' 1 21 C H6 4.000 . 4.800 3.733 3.725 3.738 . 0 0 "[ . 1 . 2]" 2
271 1 21 C H1' 1 21 C H5 6.000 3.000 7.000 5.443 5.435 5.448 . 0 0 "[ . 1 . 2]" 2
272 1 21 C H1' 1 21 C H2' 3.000 . 3.600 3.021 2.993 3.034 . 0 0 "[ . 1 . 2]" 2
273 1 21 C H1' 1 21 C H3' 4.000 . 4.800 3.829 3.789 3.918 . 0 0 "[ . 1 . 2]" 2
274 1 21 C H1' 1 21 C H4' 3.500 . 4.200 3.248 3.156 3.268 . 0 0 "[ . 1 . 2]" 2
275 1 21 C H1' 1 21 C Q5' 6.000 3.000 7.000 4.289 4.259 4.305 . 0 0 "[ . 1 . 2]" 2
276 1 20 A H1' 1 21 C H6 4.500 . 5.400 5.068 4.999 5.296 . 0 0 "[ . 1 . 2]" 2
277 1 20 A H2' 1 21 C H6 4.500 . 5.400 2.381 2.277 2.669 . 0 0 "[ . 1 . 2]" 2
278 1 20 A H3' 1 21 C H5 5.000 3.500 7.000 3.437 3.346 3.523 0.154 17 0 "[ . 1 . 2]" 2
279 1 20 A H3' 1 21 C H6 4.500 . 5.400 3.035 2.843 3.258 . 0 0 "[ . 1 . 2]" 2
280 1 20 A H8 1 21 C H5 4.000 3.000 4.500 3.487 3.033 3.952 . 0 0 "[ . 1 . 2]" 2
281 1 20 A H8 1 21 C H6 4.500 3.000 5.000 4.641 4.318 5.103 0.103 17 0 "[ . 1 . 2]" 2
282 1 20 A H1' 1 21 C H1' 6.000 3.000 6.700 5.927 5.804 6.167 . 0 0 "[ . 1 . 2]" 2
283 1 20 A H1' 1 21 C H5 6.000 5.000 7.000 5.633 5.547 5.761 . 0 0 "[ . 1 . 2]" 2
284 1 20 A H1' 1 21 C Q5' 6.000 3.000 7.000 4.127 4.049 4.342 . 0 0 "[ . 1 . 2]" 2
285 1 20 A H1' 1 21 C H2' 6.000 3.000 7.000 6.670 6.553 6.982 . 0 0 "[ . 1 . 2]" 2
286 1 22 A Q5' 1 22 A H8 4.500 . 5.400 3.998 2.903 4.359 . 0 0 "[ . 1 . 2]" 2
287 1 22 A H4' 1 22 A H8 4.500 . 5.400 4.940 4.649 5.013 . 0 0 "[ . 1 . 2]" 2
288 1 22 A H2' 1 22 A H8 4.500 . 5.400 2.374 2.279 3.492 . 0 0 "[ . 1 . 2]" 2
289 1 22 A H3' 1 22 A H8 3.500 . 4.200 4.211 3.768 4.322 0.122 14 0 "[ . 1 . 2]" 2
290 1 22 A H1' 1 22 A H8 4.000 . 4.800 3.894 3.797 3.907 . 0 0 "[ . 1 . 2]" 2
291 1 22 A H1' 1 22 A H2' 3.000 . 3.600 3.026 2.965 3.041 . 0 0 "[ . 1 . 2]" 2
292 1 22 A H1' 1 22 A H3' 4.000 . 4.800 3.891 3.866 3.938 . 0 0 "[ . 1 . 2]" 2
293 1 22 A H1' 1 22 A H4' 3.500 . 4.200 3.185 2.474 3.463 . 0 0 "[ . 1 . 2]" 2
294 1 22 A H1' 1 22 A Q5' 6.000 3.000 7.000 4.246 3.971 4.314 . 0 0 "[ . 1 . 2]" 2
295 1 21 C H1' 1 22 A H4' 6.000 3.000 7.000 5.714 4.979 6.176 . 0 0 "[ . 1 . 2]" 2
296 1 21 C H3' 1 22 A H8 4.650 . 5.650 3.799 3.569 5.151 . 0 0 "[ . 1 . 2]" 2
297 1 20 A H2' 1 22 A H8 4.650 . 5.650 5.231 3.300 5.564 . 0 0 "[ . 1 . 2]" 2
298 1 21 C H2' 1 22 A H8 4.650 . 5.650 4.577 4.314 5.532 . 0 0 "[ . 1 . 2]" 2
299 1 21 C H6 1 22 A H8 6.000 3.000 7.000 5.594 5.188 6.056 . 0 0 "[ . 1 . 2]" 2
300 1 21 C H1' 1 22 A H8 4.000 . 4.800 2.736 2.301 4.098 . 0 0 "[ . 1 . 2]" 2
301 1 23 A Q5' 1 23 A H8 4.500 . 5.400 3.697 2.250 3.931 . 0 0 "[ . 1 . 2]" 2
302 1 23 A H4' 1 23 A H8 4.500 . 5.400 4.411 4.184 4.478 . 0 0 "[ . 1 . 2]" 2
303 1 23 A H2' 1 23 A H8 4.500 . 5.400 3.489 3.326 3.698 . 0 0 "[ . 1 . 2]" 2
304 1 23 A H3' 1 23 A H8 3.500 . 4.200 2.541 2.307 2.667 . 0 0 "[ . 1 . 2]" 2
305 1 23 A H1' 1 23 A H8 4.000 . 4.800 3.869 3.845 3.899 . 0 0 "[ . 1 . 2]" 2
306 1 23 A H1' 1 23 A H2' 3.000 . 3.600 2.780 2.717 2.812 . 0 0 "[ . 1 . 2]" 2
307 1 23 A H1' 1 23 A H3' 4.000 . 4.800 3.828 3.814 3.848 . 0 0 "[ . 1 . 2]" 2
308 1 23 A H1' 1 23 A H4' 3.500 . 4.200 3.167 3.073 3.430 . 0 0 "[ . 1 . 2]" 2
309 1 23 A H1' 1 23 A Q5' 6.000 3.000 7.000 4.289 4.264 4.326 . 0 0 "[ . 1 . 2]" 2
310 1 22 A H2' 1 23 A H8 3.000 . 4.000 2.945 2.562 3.283 . 0 0 "[ . 1 . 2]" 2
311 1 22 A H3' 1 23 A H8 3.500 . 4.500 4.231 3.939 4.805 0.305 18 0 "[ . 1 . 2]" 2
312 1 22 A H8 1 23 A H8 5.000 . 6.000 4.649 4.379 5.113 . 0 0 "[ . 1 . 2]" 2
313 1 22 A H4' 1 23 A H8 6.000 3.000 7.000 5.980 5.753 6.502 . 0 0 "[ . 1 . 2]" 2
314 1 22 A H1' 1 23 A H8 4.500 . 5.400 4.180 3.825 5.887 0.487 20 0 "[ . 1 . 2]" 2
stop_
save_
save_distance_constraint_statistics_3
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 3
_Distance_constraint_stats_list.Constraint_count 65
_Distance_constraint_stats_list.Viol_count 54
_Distance_constraint_stats_list.Viol_total 106.433
_Distance_constraint_stats_list.Viol_max 0.313
_Distance_constraint_stats_list.Viol_rms 0.0235
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0041
_Distance_constraint_stats_list.Viol_average_violations_only 0.0985
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 2 G 0.000 0.000 . 0 "[ . 1 . 2]"
1 3 G 0.000 0.000 . 0 "[ . 1 . 2]"
1 4 A 0.000 0.000 . 0 "[ . 1 . 2]"
1 5 A 0.000 0.000 . 0 "[ . 1 . 2]"
1 6 G 0.000 0.000 . 0 "[ . 1 . 2]"
1 7 A 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 C 0.452 0.189 19 0 "[ . 1 . 2]"
1 11 G 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 G 1.372 0.084 1 0 "[ . 1 . 2]"
1 13 C 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 C 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 U 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 U 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 C 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 C 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 C 0.000 0.000 . 0 "[ . 1 . 2]"
1 24 G 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 G 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 G 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 A 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 A 0.000 0.000 . 0 "[ . 1 . 2]"
1 29 G 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 G 0.000 0.000 . 0 "[ . 1 . 2]"
1 31 C 1.372 0.084 1 0 "[ . 1 . 2]"
1 34 G 1.640 0.313 14 0 "[ . 1 . 2]"
1 35 G 2.092 0.313 14 0 "[ . 1 . 2]"
1 38 A 1.858 0.216 1 0 "[ . 1 . 2]"
1 39 U 1.858 0.216 1 0 "[ . 1 . 2]"
1 40 C 0.000 0.000 . 0 "[ . 1 . 2]"
1 41 U 0.000 0.000 . 0 "[ . 1 . 2]"
1 42 U 0.000 0.000 . 0 "[ . 1 . 2]"
1 43 C 0.000 0.000 . 0 "[ . 1 . 2]"
1 44 C 0.000 0.000 . 0 "[ . 1 . 2]"
1 45 C 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 11 G H1 1 12 G H1 4.650 . 5.650 4.263 4.175 4.341 . 0 0 "[ . 1 . 2]" 3
2 1 12 G H1 1 30 G H1 6.000 3.000 7.000 3.385 3.340 3.423 . 0 0 "[ . 1 . 2]" 3
3 1 12 G H1 1 31 C H41 4.650 . 5.650 1.781 1.766 1.789 0.084 1 0 "[ . 1 . 2]" 3
4 1 12 G H1 1 31 C H42 4.650 . 5.650 3.389 3.379 3.396 . 0 0 "[ . 1 . 2]" 3
5 1 15 U H3 1 16 U H1' 6.000 3.000 7.000 5.301 5.205 5.398 . 0 0 "[ . 1 . 2]" 3
6 1 15 U H3 1 16 U H3 4.500 . 5.400 3.767 3.687 3.835 . 0 0 "[ . 1 . 2]" 3
7 1 15 U H3 1 16 U H5 4.000 . 4.800 4.295 4.228 4.384 . 0 0 "[ . 1 . 2]" 3
8 1 15 U H3 1 27 A H61 4.500 . 5.400 4.684 4.604 4.770 . 0 0 "[ . 1 . 2]" 3
9 1 15 U H3 1 27 A H62 6.000 3.000 7.000 6.119 6.032 6.211 . 0 0 "[ . 1 . 2]" 3
10 1 15 U H3 1 28 A H2 3.000 . 3.600 3.406 3.372 3.452 . 0 0 "[ . 1 . 2]" 3
11 1 15 U H3 1 27 A H2 6.000 2.800 7.000 5.391 5.311 5.467 . 0 0 "[ . 1 . 2]" 3
12 1 15 U H3 1 28 A H61 2.500 . 3.000 1.926 1.869 1.970 . 0 0 "[ . 1 . 2]" 3
13 1 15 U H3 1 28 A H62 4.000 . 4.800 3.363 3.318 3.401 . 0 0 "[ . 1 . 2]" 3
14 1 16 U H3 1 17 C H1' 6.000 3.000 7.000 5.918 5.838 5.977 . 0 0 "[ . 1 . 2]" 3
15 1 16 U H3 1 26 G H1 4.500 . 5.400 5.039 4.980 5.122 . 0 0 "[ . 1 . 2]" 3
16 1 16 U H3 1 17 C H5 4.000 . 4.800 4.223 4.147 4.326 . 0 0 "[ . 1 . 2]" 3
17 1 16 U H3 1 27 A H2 3.000 . 3.600 2.663 2.571 2.742 . 0 0 "[ . 1 . 2]" 3
18 1 16 U H3 1 28 A H2 6.000 2.800 7.000 4.378 4.277 4.509 . 0 0 "[ . 1 . 2]" 3
19 1 16 U H3 1 27 A H61 2.500 . 3.000 2.808 2.699 2.923 . 0 0 "[ . 1 . 2]" 3
20 1 16 U H3 1 27 A H62 4.000 . 4.800 4.294 4.197 4.391 . 0 0 "[ . 1 . 2]" 3
21 1 24 G H1 1 25 G H1 4.650 . 5.650 3.945 3.867 4.033 . 0 0 "[ . 1 . 2]" 3
22 1 24 G H1 1 25 G H1' 6.000 3.000 7.000 5.731 5.620 5.975 . 0 0 "[ . 1 . 2]" 3
23 1 19 C H41 1 24 G H1 3.000 . 3.600 2.820 2.556 2.990 . 0 0 "[ . 1 . 2]" 3
24 1 19 C H42 1 24 G H1 6.000 3.000 7.000 4.284 4.052 4.424 . 0 0 "[ . 1 . 2]" 3
25 1 25 G H1 1 26 G H1 4.650 . 5.650 4.319 4.266 4.380 . 0 0 "[ . 1 . 2]" 3
26 1 25 G H1 1 26 G H1' 6.000 3.000 7.000 5.978 5.918 6.066 . 0 0 "[ . 1 . 2]" 3
27 1 18 C H41 1 25 G H1 3.000 . 3.600 2.198 2.128 2.284 . 0 0 "[ . 1 . 2]" 3
28 1 18 C H42 1 25 G H1 6.000 3.000 7.000 3.764 3.705 3.837 . 0 0 "[ . 1 . 2]" 3
29 1 26 G H1 1 27 A H1' 6.000 3.000 7.000 5.738 5.627 5.851 . 0 0 "[ . 1 . 2]" 3
30 1 29 G H1 1 30 G H1 4.650 . 5.650 3.887 3.834 3.931 . 0 0 "[ . 1 . 2]" 3
31 1 15 U H3 1 29 G H1 4.650 . 5.650 3.942 3.863 4.039 . 0 0 "[ . 1 . 2]" 3
32 1 29 G H1 1 30 G H1' 6.000 3.000 7.000 5.399 5.307 5.482 . 0 0 "[ . 1 . 2]" 3
33 1 14 C H41 1 29 G H1 3.000 . 3.600 2.467 2.353 2.535 . 0 0 "[ . 1 . 2]" 3
34 1 14 C H42 1 29 G H1 6.000 3.000 7.000 3.933 3.850 3.990 . 0 0 "[ . 1 . 2]" 3
35 1 30 G H1 1 31 C H1' 6.000 3.000 7.000 5.411 5.333 5.462 . 0 0 "[ . 1 . 2]" 3
36 1 13 C H41 1 30 G H1 3.000 . 3.600 2.636 2.567 2.715 . 0 0 "[ . 1 . 2]" 3
37 1 13 C H42 1 30 G H1 6.000 3.000 7.000 4.115 4.051 4.178 . 0 0 "[ . 1 . 2]" 3
38 1 9 C H41 1 35 G H1 6.000 3.000 7.000 3.831 2.811 4.607 0.189 19 0 "[ . 1 . 2]" 3
39 1 9 C H42 1 35 G H1 6.000 3.000 7.000 4.349 3.340 5.093 . 0 0 "[ . 1 . 2]" 3
40 1 34 G H1 1 35 G H1 6.000 3.000 7.000 4.265 3.395 4.799 . 0 0 "[ . 1 . 2]" 3
41 1 34 G H22 1 35 G H1 6.000 3.000 7.000 6.790 5.559 7.313 0.313 14 0 "[ . 1 . 2]" 3
42 1 34 G H21 1 35 G H1 6.000 3.000 7.000 5.672 4.151 6.285 . 0 0 "[ . 1 . 2]" 3
43 1 9 C H5 1 35 G H1 6.000 3.000 7.000 5.169 4.234 5.966 . 0 0 "[ . 1 . 2]" 3
44 1 9 C H6 1 35 G H1 6.000 3.000 7.000 6.117 4.260 7.103 0.103 19 0 "[ . 1 . 2]" 3
45 1 7 A H2 1 39 U H3 3.000 . 3.600 2.763 2.334 3.356 . 0 0 "[ . 1 . 2]" 3
46 1 38 A H2 1 39 U H3 3.500 2.100 4.200 4.293 4.206 4.416 0.216 1 0 "[ . 1 . 2]" 3
47 1 6 G H1 1 39 U H3 4.500 . 5.400 4.664 4.471 4.909 . 0 0 "[ . 1 . 2]" 3
48 1 6 G H1 1 40 C H41 3.000 . 3.600 2.418 2.066 2.797 . 0 0 "[ . 1 . 2]" 3
49 1 6 G H1 1 40 C H42 6.000 3.000 7.000 3.959 3.648 4.280 . 0 0 "[ . 1 . 2]" 3
50 1 5 A H2 1 6 G H1 6.000 3.000 7.000 5.258 5.086 5.513 . 0 0 "[ . 1 . 2]" 3
51 1 6 G H1 1 7 A H1' 6.000 3.000 7.000 5.460 5.286 5.655 . 0 0 "[ . 1 . 2]" 3
52 1 41 U H3 1 42 U H3 4.500 . 5.400 4.038 3.898 4.213 . 0 0 "[ . 1 . 2]" 3
53 1 5 A H2 1 41 U H3 3.000 . 3.600 2.691 2.331 3.175 . 0 0 "[ . 1 . 2]" 3
54 1 4 A H2 1 41 U H3 6.000 3.000 7.000 6.150 6.034 6.255 . 0 0 "[ . 1 . 2]" 3
55 1 3 G H1 1 42 U H3 6.000 3.000 7.000 4.467 4.303 4.570 . 0 0 "[ . 1 . 2]" 3
56 1 5 A H2 1 42 U H3 4.000 . 4.700 4.362 4.120 4.607 . 0 0 "[ . 1 . 2]" 3
57 1 4 A H2 1 42 U H3 3.000 . 3.600 3.271 2.977 3.371 . 0 0 "[ . 1 . 2]" 3
58 1 2 G H1 1 3 G H1 4.500 . 5.400 3.943 3.881 3.992 . 0 0 "[ . 1 . 2]" 3
59 1 3 G H1 1 43 C H41 3.000 . 3.600 2.714 2.155 2.916 . 0 0 "[ . 1 . 2]" 3
60 1 3 G H1 1 43 C H42 6.000 3.000 7.000 4.208 3.728 4.376 . 0 0 "[ . 1 . 2]" 3
61 1 3 G H1 1 4 A H2 4.500 . 5.400 4.708 4.533 4.833 . 0 0 "[ . 1 . 2]" 3
62 1 3 G H1 1 4 A H1' 6.000 3.000 7.000 5.639 5.485 5.803 . 0 0 "[ . 1 . 2]" 3
63 1 2 G H1 1 45 C H6 6.000 3.000 7.000 5.359 5.268 5.429 . 0 0 "[ . 1 . 2]" 3
64 1 2 G H1 1 44 C H41 3.000 . 3.600 2.395 2.239 2.647 . 0 0 "[ . 1 . 2]" 3
65 1 2 G H1 1 44 C H42 6.000 3.000 7.000 3.932 3.797 4.146 . 0 0 "[ . 1 . 2]" 3
stop_
save_
save_distance_constraint_statistics_4
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 4
_Distance_constraint_stats_list.Constraint_count 335
_Distance_constraint_stats_list.Viol_count 217
_Distance_constraint_stats_list.Viol_total 800.490
_Distance_constraint_stats_list.Viol_max 0.476
_Distance_constraint_stats_list.Viol_rms 0.0398
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0060
_Distance_constraint_stats_list.Viol_average_violations_only 0.1844
_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 20 A 0.034 0.034 20 0 "[ . 1 . 2]"
1 22 A 3.181 0.474 20 0 "[ . 1 . 2]"
1 23 A 3.488 0.474 20 0 "[ . 1 . 2]"
1 24 G 0.448 0.131 18 0 "[ . 1 . 2]"
1 25 G 0.175 0.051 6 0 "[ . 1 . 2]"
1 26 G 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 A 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 A 0.000 0.000 . 0 "[ . 1 . 2]"
1 29 G 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 G 0.000 0.000 . 0 "[ . 1 . 2]"
1 31 C 0.000 0.000 . 0 "[ . 1 . 2]"
1 32 C 0.016 0.016 6 0 "[ . 1 . 2]"
1 33 A 11.928 0.463 18 0 "[ . 1 . 2]"
1 34 G 13.224 0.463 18 0 "[ . 1 . 2]"
1 35 G 3.877 0.361 16 0 "[ . 1 . 2]"
1 36 G 8.905 0.288 6 0 "[ . 1 . 2]"
1 37 A 9.602 0.476 13 0 "[ . 1 . 2]"
1 38 A 2.997 0.476 13 0 "[ . 1 . 2]"
1 39 U 0.000 0.000 . 0 "[ . 1 . 2]"
1 40 C 0.000 0.000 . 0 "[ . 1 . 2]"
1 41 U 0.000 0.000 . 0 "[ . 1 . 2]"
1 42 U 0.000 0.000 . 0 "[ . 1 . 2]"
1 43 C 0.000 0.000 . 0 "[ . 1 . 2]"
1 44 C 7.888 0.427 7 0 "[ . 1 . 2]"
1 45 C 7.888 0.427 7 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 20 A H2 1 23 A H8 . 3.000 5.500 3.372 2.966 3.681 0.034 20 0 "[ . 1 . 2]" 4
2 1 22 A H4' 1 23 A H1' 6.000 3.000 7.000 7.159 7.095 7.474 0.474 20 0 "[ . 1 . 2]" 4
3 1 20 A H1' 1 23 A H2 6.000 3.000 7.000 6.315 6.204 6.467 . 0 0 "[ . 1 . 2]" 4
4 1 24 G Q5' 1 24 G H8 4.500 . 5.400 3.222 3.166 3.319 . 0 0 "[ . 1 . 2]" 4
5 1 24 G H4' 1 24 G H8 4.500 . 5.400 4.105 4.054 4.162 . 0 0 "[ . 1 . 2]" 4
6 1 24 G H2' 1 24 G H8 4.500 . 5.400 4.024 3.942 4.063 . 0 0 "[ . 1 . 2]" 4
7 1 24 G H3' 1 24 G H8 3.500 . 4.200 2.536 2.353 2.606 . 0 0 "[ . 1 . 2]" 4
8 1 24 G H1' 1 24 G H8 4.000 . 4.800 3.787 3.776 3.813 . 0 0 "[ . 1 . 2]" 4
9 1 24 G H1' 1 24 G H2' 3.000 . 3.600 2.684 2.676 2.698 . 0 0 "[ . 1 . 2]" 4
10 1 24 G H1' 1 24 G H3' 4.000 . 4.800 3.713 3.701 3.730 . 0 0 "[ . 1 . 2]" 4
11 1 24 G H1' 1 24 G H4' 3.500 . 4.200 3.453 3.401 3.481 . 0 0 "[ . 1 . 2]" 4
12 1 24 G H1' 1 24 G Q5' 6.000 3.000 7.000 4.394 4.377 4.401 . 0 0 "[ . 1 . 2]" 4
13 1 23 A H2' 1 24 G H8 2.000 . 2.400 2.348 2.252 2.531 0.131 18 0 "[ . 1 . 2]" 4
14 1 23 A H3' 1 24 G H8 3.500 . 4.200 2.771 2.501 2.927 . 0 0 "[ . 1 . 2]" 4
15 1 23 A H8 1 24 G H8 5.000 . 6.000 4.034 3.759 4.198 . 0 0 "[ . 1 . 2]" 4
16 1 23 A H4' 1 24 G H8 6.000 3.000 7.000 5.352 5.249 5.486 . 0 0 "[ . 1 . 2]" 4
17 1 23 A H1' 1 24 G H8 4.500 . 5.400 5.049 4.933 5.184 . 0 0 "[ . 1 . 2]" 4
18 1 23 A H2' 1 24 G H1' 4.500 . 5.400 3.716 3.407 3.832 . 0 0 "[ . 1 . 2]" 4
19 1 23 A H1' 1 24 G H1' 6.000 3.000 7.000 5.421 4.753 5.725 . 0 0 "[ . 1 . 2]" 4
20 1 23 A H3' 1 24 G H1' 5.000 . 6.000 5.767 5.523 5.891 . 0 0 "[ . 1 . 2]" 4
21 1 25 G Q5' 1 25 G H8 4.500 . 5.400 3.407 3.371 3.446 . 0 0 "[ . 1 . 2]" 4
22 1 25 G H4' 1 25 G H8 4.500 . 5.400 4.222 4.199 4.252 . 0 0 "[ . 1 . 2]" 4
23 1 25 G H2' 1 25 G H8 4.500 . 5.400 3.957 3.923 3.988 . 0 0 "[ . 1 . 2]" 4
24 1 25 G H3' 1 25 G H8 3.500 . 4.200 2.678 2.631 2.738 . 0 0 "[ . 1 . 2]" 4
25 1 25 G H1' 1 25 G H8 4.000 . 4.800 3.787 3.775 3.793 . 0 0 "[ . 1 . 2]" 4
26 1 25 G H1' 1 25 G H2' 3.000 . 3.600 2.727 2.715 2.738 . 0 0 "[ . 1 . 2]" 4
27 1 25 G H1' 1 25 G H3' 4.000 . 4.800 3.766 3.753 3.775 . 0 0 "[ . 1 . 2]" 4
28 1 25 G H1' 1 25 G H4' 3.500 . 4.200 3.334 3.306 3.356 . 0 0 "[ . 1 . 2]" 4
29 1 25 G H1' 1 25 G Q5' 6.000 3.000 7.000 4.362 4.352 4.370 . 0 0 "[ . 1 . 2]" 4
30 1 24 G H2' 1 25 G H8 2.000 . 2.400 2.384 2.284 2.451 0.051 6 0 "[ . 1 . 2]" 4
31 1 24 G H3' 1 25 G H8 3.500 . 4.200 3.121 3.040 3.197 . 0 0 "[ . 1 . 2]" 4
32 1 24 G H8 1 25 G H8 5.000 . 6.000 4.754 4.539 4.829 . 0 0 "[ . 1 . 2]" 4
33 1 24 G H4' 1 25 G H8 6.000 3.000 7.000 5.609 5.546 5.677 . 0 0 "[ . 1 . 2]" 4
34 1 24 G H1' 1 25 G H8 4.500 . 5.400 4.841 4.760 4.914 . 0 0 "[ . 1 . 2]" 4
35 1 24 G H2' 1 25 G H1' 4.500 . 5.400 4.228 4.177 4.288 . 0 0 "[ . 1 . 2]" 4
36 1 24 G H1' 1 25 G H1' 6.000 3.000 7.000 5.918 5.859 6.022 . 0 0 "[ . 1 . 2]" 4
37 1 26 G Q5' 1 26 G H8 4.500 . 5.400 3.585 3.538 3.639 . 0 0 "[ . 1 . 2]" 4
38 1 26 G H4' 1 26 G H8 4.500 . 5.400 4.337 4.305 4.372 . 0 0 "[ . 1 . 2]" 4
39 1 26 G H2' 1 26 G H8 4.500 . 5.400 3.943 3.917 3.977 . 0 0 "[ . 1 . 2]" 4
40 1 26 G H3' 1 26 G H8 3.500 . 4.200 2.879 2.810 2.955 . 0 0 "[ . 1 . 2]" 4
41 1 26 G H1' 1 26 G H8 4.000 . 4.800 3.772 3.760 3.778 . 0 0 "[ . 1 . 2]" 4
42 1 26 G H1' 1 26 G H2' 3.000 . 3.600 2.753 2.738 2.765 . 0 0 "[ . 1 . 2]" 4
43 1 26 G H1' 1 26 G H3' 4.000 . 4.800 3.793 3.778 3.806 . 0 0 "[ . 1 . 2]" 4
44 1 26 G H1' 1 26 G H4' 3.500 . 4.200 3.210 3.176 3.237 . 0 0 "[ . 1 . 2]" 4
45 1 26 G H1' 1 26 G Q5' 6.000 3.000 7.000 4.314 4.300 4.325 . 0 0 "[ . 1 . 2]" 4
46 1 25 G H2' 1 26 G H8 2.000 . 2.400 2.220 2.200 2.253 . 0 0 "[ . 1 . 2]" 4
47 1 25 G H3' 1 26 G H8 3.500 . 4.200 3.194 3.154 3.269 . 0 0 "[ . 1 . 2]" 4
48 1 25 G H8 1 26 G H8 5.000 . 6.000 4.653 4.608 4.691 . 0 0 "[ . 1 . 2]" 4
49 1 25 G H4' 1 26 G H8 6.000 3.000 7.000 5.610 5.573 5.659 . 0 0 "[ . 1 . 2]" 4
50 1 25 G H1' 1 26 G H8 4.500 . 5.400 4.712 4.664 4.744 . 0 0 "[ . 1 . 2]" 4
51 1 25 G H2' 1 26 G H1' 4.500 . 5.400 4.304 4.272 4.376 . 0 0 "[ . 1 . 2]" 4
52 1 25 G H1' 1 26 G H1' 6.000 3.000 7.000 6.025 5.982 6.113 . 0 0 "[ . 1 . 2]" 4
53 1 27 A Q5' 1 27 A H8 4.500 . 5.400 3.579 3.525 3.651 . 0 0 "[ . 1 . 2]" 4
54 1 27 A H4' 1 27 A H8 4.500 . 5.400 4.333 4.303 4.369 . 0 0 "[ . 1 . 2]" 4
55 1 27 A H2' 1 27 A H8 4.500 . 5.400 3.983 3.929 4.027 . 0 0 "[ . 1 . 2]" 4
56 1 27 A H3' 1 27 A H8 3.500 . 4.200 2.948 2.906 2.989 . 0 0 "[ . 1 . 2]" 4
57 1 27 A H1' 1 27 A H8 4.000 . 4.800 3.761 3.751 3.770 . 0 0 "[ . 1 . 2]" 4
58 1 27 A H1' 1 27 A H2' 3.000 . 3.600 2.754 2.740 2.774 . 0 0 "[ . 1 . 2]" 4
59 1 27 A H1' 1 27 A H3' 4.000 . 4.800 3.802 3.787 3.817 . 0 0 "[ . 1 . 2]" 4
60 1 27 A H1' 1 27 A H4' 3.500 . 4.200 3.224 3.176 3.259 . 0 0 "[ . 1 . 2]" 4
61 1 27 A H1' 1 27 A Q5' 6.000 3.000 7.000 4.337 4.322 4.350 . 0 0 "[ . 1 . 2]" 4
62 1 26 G H2' 1 27 A H8 2.000 . 2.400 2.169 2.142 2.186 . 0 0 "[ . 1 . 2]" 4
63 1 26 G H3' 1 27 A H8 3.500 . 4.200 3.217 3.143 3.279 . 0 0 "[ . 1 . 2]" 4
64 1 26 G H8 1 27 A H8 5.000 . 6.000 4.697 4.625 4.763 . 0 0 "[ . 1 . 2]" 4
65 1 26 G H4' 1 27 A H8 6.000 3.000 7.000 5.594 5.546 5.642 . 0 0 "[ . 1 . 2]" 4
66 1 26 G H1' 1 27 A H8 4.500 . 5.400 4.734 4.698 4.778 . 0 0 "[ . 1 . 2]" 4
67 1 26 G H2' 1 27 A H1' 4.500 . 5.400 4.395 4.342 4.458 . 0 0 "[ . 1 . 2]" 4
68 1 26 G H1' 1 27 A H1' 6.000 3.000 7.000 6.162 6.118 6.242 . 0 0 "[ . 1 . 2]" 4
69 1 28 A Q5' 1 28 A H8 4.500 . 5.400 3.946 3.901 4.005 . 0 0 "[ . 1 . 2]" 4
70 1 28 A H4' 1 28 A H8 4.500 . 5.400 4.510 4.488 4.533 . 0 0 "[ . 1 . 2]" 4
71 1 28 A H2' 1 28 A H8 4.500 . 5.400 3.715 3.648 3.754 . 0 0 "[ . 1 . 2]" 4
72 1 28 A H3' 1 28 A H8 3.500 . 4.200 3.175 3.129 3.223 . 0 0 "[ . 1 . 2]" 4
73 1 28 A H1' 1 28 A H8 4.000 . 4.800 3.798 3.792 3.811 . 0 0 "[ . 1 . 2]" 4
74 1 28 A H1' 1 28 A H2' 3.000 . 3.600 2.832 2.817 2.843 . 0 0 "[ . 1 . 2]" 4
75 1 28 A H1' 1 28 A H3' 4.000 . 4.800 3.850 3.842 3.857 . 0 0 "[ . 1 . 2]" 4
76 1 28 A H1' 1 28 A H4' 3.500 . 4.200 2.954 2.915 2.995 . 0 0 "[ . 1 . 2]" 4
77 1 28 A H1' 1 28 A Q5' 6.000 3.000 7.000 4.225 4.211 4.239 . 0 0 "[ . 1 . 2]" 4
78 1 27 A H2' 1 28 A H8 2.000 . 2.400 2.102 2.081 2.137 . 0 0 "[ . 1 . 2]" 4
79 1 27 A H3' 1 28 A H8 3.500 . 4.200 3.507 3.418 3.617 . 0 0 "[ . 1 . 2]" 4
80 1 27 A H8 1 28 A H8 5.000 . 6.000 4.775 4.702 4.839 . 0 0 "[ . 1 . 2]" 4
81 1 27 A H4' 1 28 A H8 6.000 3.000 7.000 5.714 5.669 5.789 . 0 0 "[ . 1 . 2]" 4
82 1 27 A H1' 1 28 A H8 4.500 . 5.400 4.496 4.450 4.561 . 0 0 "[ . 1 . 2]" 4
83 1 27 A H2' 1 28 A H1' 4.500 . 5.400 4.284 4.219 4.331 . 0 0 "[ . 1 . 2]" 4
84 1 27 A H1' 1 28 A H1' 6.000 3.000 7.000 5.725 5.674 5.810 . 0 0 "[ . 1 . 2]" 4
85 1 29 G Q5' 1 29 G H8 4.500 . 5.400 3.488 3.442 3.535 . 0 0 "[ . 1 . 2]" 4
86 1 29 G H4' 1 29 G H8 4.500 . 5.400 4.269 4.241 4.299 . 0 0 "[ . 1 . 2]" 4
87 1 29 G H2' 1 29 G H8 4.500 . 5.400 4.022 3.993 4.051 . 0 0 "[ . 1 . 2]" 4
88 1 29 G H3' 1 29 G H8 3.500 . 4.200 2.766 2.719 2.806 . 0 0 "[ . 1 . 2]" 4
89 1 29 G H1' 1 29 G H8 4.000 . 4.800 3.767 3.759 3.777 . 0 0 "[ . 1 . 2]" 4
90 1 29 G H1' 1 29 G H2' 3.000 . 3.600 2.724 2.718 2.732 . 0 0 "[ . 1 . 2]" 4
91 1 29 G H1' 1 29 G H3' 4.000 . 4.800 3.757 3.749 3.763 . 0 0 "[ . 1 . 2]" 4
92 1 29 G H1' 1 29 G H4' 3.500 . 4.200 3.313 3.289 3.335 . 0 0 "[ . 1 . 2]" 4
93 1 29 G H1' 1 29 G Q5' 6.000 3.000 7.000 4.368 4.359 4.376 . 0 0 "[ . 1 . 2]" 4
94 1 28 A H2' 1 29 G H8 2.000 . 2.400 1.896 1.857 1.928 . 0 0 "[ . 1 . 2]" 4
95 1 28 A H3' 1 29 G H8 3.500 . 4.200 3.260 3.206 3.340 . 0 0 "[ . 1 . 2]" 4
96 1 28 A H8 1 29 G H8 5.000 . 6.000 4.875 4.813 4.961 . 0 0 "[ . 1 . 2]" 4
97 1 28 A H4' 1 29 G H8 6.000 3.000 7.000 5.379 5.356 5.424 . 0 0 "[ . 1 . 2]" 4
98 1 28 A H1' 1 29 G H8 4.500 . 5.400 4.682 4.648 4.722 . 0 0 "[ . 1 . 2]" 4
99 1 28 A H2' 1 29 G H1' 4.500 . 5.400 4.141 4.078 4.272 . 0 0 "[ . 1 . 2]" 4
100 1 28 A H1' 1 29 G H1' 6.000 3.000 7.000 5.386 5.324 5.532 . 0 0 "[ . 1 . 2]" 4
101 1 30 G Q5' 1 30 G H8 4.500 . 5.400 3.508 3.464 3.549 . 0 0 "[ . 1 . 2]" 4
102 1 30 G H4' 1 30 G H8 4.500 . 5.400 4.285 4.255 4.311 . 0 0 "[ . 1 . 2]" 4
103 1 30 G H2' 1 30 G H8 4.500 . 5.400 4.018 3.979 4.038 . 0 0 "[ . 1 . 2]" 4
104 1 30 G H3' 1 30 G H8 3.500 . 4.200 2.832 2.785 2.873 . 0 0 "[ . 1 . 2]" 4
105 1 30 G H1' 1 30 G H8 4.000 . 4.800 3.762 3.755 3.770 . 0 0 "[ . 1 . 2]" 4
106 1 30 G H1' 1 30 G H2' 3.000 . 3.600 2.734 2.724 2.747 . 0 0 "[ . 1 . 2]" 4
107 1 30 G H1' 1 30 G H3' 4.000 . 4.800 3.776 3.763 3.785 . 0 0 "[ . 1 . 2]" 4
108 1 30 G H1' 1 30 G H4' 3.500 . 4.200 3.294 3.265 3.317 . 0 0 "[ . 1 . 2]" 4
109 1 30 G H1' 1 30 G Q5' 6.000 3.000 7.000 4.362 4.354 4.370 . 0 0 "[ . 1 . 2]" 4
110 1 29 G H2' 1 30 G H8 2.000 . 2.400 2.085 2.066 2.119 . 0 0 "[ . 1 . 2]" 4
111 1 29 G H3' 1 30 G H8 3.500 . 4.200 3.108 3.060 3.184 . 0 0 "[ . 1 . 2]" 4
112 1 29 G H8 1 30 G H8 5.000 . 6.000 4.709 4.666 4.777 . 0 0 "[ . 1 . 2]" 4
113 1 29 G H4' 1 30 G H8 6.000 3.000 7.000 5.462 5.430 5.509 . 0 0 "[ . 1 . 2]" 4
114 1 29 G H1' 1 30 G H8 4.500 . 5.400 4.605 4.572 4.644 . 0 0 "[ . 1 . 2]" 4
115 1 29 G H2' 1 30 G H1' 4.500 . 5.400 4.040 3.978 4.089 . 0 0 "[ . 1 . 2]" 4
116 1 29 G H1' 1 30 G H1' 6.000 3.000 7.000 5.509 5.435 5.561 . 0 0 "[ . 1 . 2]" 4
117 1 31 C Q5' 1 31 C H6 6.000 3.000 7.000 3.387 3.358 3.420 . 0 0 "[ . 1 . 2]" 4
118 1 31 C H2' 1 31 C H5 6.000 3.000 7.000 5.347 5.298 5.399 . 0 0 "[ . 1 . 2]" 4
119 1 31 C H2' 1 31 C H6 4.000 . 4.800 3.888 3.851 3.930 . 0 0 "[ . 1 . 2]" 4
120 1 31 C H3' 1 31 C H6 3.000 . 3.600 2.825 2.771 2.889 . 0 0 "[ . 1 . 2]" 4
121 1 31 C H1' 1 31 C H6 4.000 . 4.800 3.554 3.544 3.560 . 0 0 "[ . 1 . 2]" 4
122 1 31 C H1' 1 31 C H5 6.000 3.000 7.000 5.321 5.310 5.331 . 0 0 "[ . 1 . 2]" 4
123 1 31 C H1' 1 31 C H2' 3.000 . 3.600 2.751 2.743 2.763 . 0 0 "[ . 1 . 2]" 4
124 1 31 C H1' 1 31 C H3' 4.000 . 4.800 3.786 3.778 3.795 . 0 0 "[ . 1 . 2]" 4
125 1 31 C H1' 1 31 C H4' 3.500 . 4.200 3.177 3.149 3.197 . 0 0 "[ . 1 . 2]" 4
126 1 31 C H1' 1 31 C Q5' 6.000 3.000 7.000 4.296 4.288 4.307 . 0 0 "[ . 1 . 2]" 4
127 1 30 G H1' 1 31 C H6 4.500 . 5.400 4.485 4.438 4.521 . 0 0 "[ . 1 . 2]" 4
128 1 30 G H1' 1 31 C H5 5.000 . 6.000 5.401 5.316 5.486 . 0 0 "[ . 1 . 2]" 4
129 1 30 G H2' 1 31 C H5 3.500 . 4.200 3.646 3.559 3.708 . 0 0 "[ . 1 . 2]" 4
130 1 30 G H2' 1 31 C H6 2.000 . 2.400 1.936 1.902 1.965 . 0 0 "[ . 1 . 2]" 4
131 1 30 G H3' 1 31 C H5 3.500 . 4.200 3.645 3.568 3.707 . 0 0 "[ . 1 . 2]" 4
132 1 30 G H3' 1 31 C H6 3.500 . 4.200 3.124 3.064 3.180 . 0 0 "[ . 1 . 2]" 4
133 1 30 G H8 1 31 C H5 4.000 . 4.800 3.972 3.850 4.058 . 0 0 "[ . 1 . 2]" 4
134 1 30 G H8 1 31 C H6 5.000 . 6.000 4.744 4.667 4.817 . 0 0 "[ . 1 . 2]" 4
135 1 30 G H4' 1 31 C H6 5.150 2.150 6.150 5.390 5.338 5.426 . 0 0 "[ . 1 . 2]" 4
136 1 30 G H2' 1 31 C H1' 4.500 . 5.400 4.034 3.930 4.089 . 0 0 "[ . 1 . 2]" 4
137 1 30 G H1' 1 31 C H1' 6.000 3.000 7.000 5.572 5.411 5.665 . 0 0 "[ . 1 . 2]" 4
138 1 32 C Q5' 1 32 C H6 6.000 3.000 7.000 3.128 3.088 3.162 . 0 0 "[ . 1 . 2]" 4
139 1 32 C H2' 1 32 C H5 6.000 3.000 7.000 5.287 5.254 5.318 . 0 0 "[ . 1 . 2]" 4
140 1 32 C H2' 1 32 C H6 4.000 . 4.800 3.767 3.740 3.795 . 0 0 "[ . 1 . 2]" 4
141 1 32 C H3' 1 32 C H6 3.000 . 3.600 2.569 2.522 2.602 . 0 0 "[ . 1 . 2]" 4
142 1 32 C H1' 1 32 C H6 4.000 . 4.800 3.607 3.600 3.613 . 0 0 "[ . 1 . 2]" 4
143 1 32 C H1' 1 32 C H5 6.000 3.000 7.000 5.358 5.352 5.363 . 0 0 "[ . 1 . 2]" 4
144 1 32 C H1' 1 32 C H2' 3.000 . 3.600 2.742 2.729 2.754 . 0 0 "[ . 1 . 2]" 4
145 1 32 C H1' 1 32 C H3' 4.000 . 4.800 3.815 3.804 3.829 . 0 0 "[ . 1 . 2]" 4
146 1 32 C H1' 1 32 C H4' 3.500 . 4.200 3.321 3.297 3.354 . 0 0 "[ . 1 . 2]" 4
147 1 32 C H1' 1 32 C Q5' 6.000 3.000 7.000 4.382 4.371 4.392 . 0 0 "[ . 1 . 2]" 4
148 1 31 C H1' 1 32 C H6 4.500 . 5.400 4.825 4.778 4.864 . 0 0 "[ . 1 . 2]" 4
149 1 31 C H1' 1 32 C H5 5.000 . 6.000 5.430 5.328 5.562 . 0 0 "[ . 1 . 2]" 4
150 1 31 C H2' 1 32 C H5 3.500 . 4.200 3.469 3.404 3.596 . 0 0 "[ . 1 . 2]" 4
151 1 31 C H2' 1 32 C H6 2.000 . 2.400 2.145 2.092 2.191 . 0 0 "[ . 1 . 2]" 4
152 1 31 C H3' 1 32 C H5 3.500 . 4.200 3.294 3.217 3.386 . 0 0 "[ . 1 . 2]" 4
153 1 31 C H3' 1 32 C H6 3.500 . 4.200 3.200 3.141 3.248 . 0 0 "[ . 1 . 2]" 4
154 1 31 C H6 1 32 C H5 4.000 . 4.800 4.004 3.913 4.102 . 0 0 "[ . 1 . 2]" 4
155 1 31 C H6 1 32 C H6 5.000 . 6.000 5.017 4.968 5.083 . 0 0 "[ . 1 . 2]" 4
156 1 31 C H4' 1 32 C H6 5.150 2.150 6.150 5.488 5.435 5.530 . 0 0 "[ . 1 . 2]" 4
157 1 31 C H2' 1 32 C H1' 4.500 . 5.400 4.420 4.364 4.484 . 0 0 "[ . 1 . 2]" 4
158 1 31 C H1' 1 32 C H1' 6.000 3.000 7.000 6.250 6.182 6.321 . 0 0 "[ . 1 . 2]" 4
159 1 33 A H1' 1 33 A H8 4.000 . 4.800 3.798 3.788 3.806 . 0 0 "[ . 1 . 2]" 4
160 1 33 A H2' 1 33 A H8 4.500 . 5.400 3.768 3.721 3.836 . 0 0 "[ . 1 . 2]" 4
161 1 33 A H4' 1 33 A H8 4.500 . 5.400 4.444 4.379 4.509 . 0 0 "[ . 1 . 2]" 4
162 1 33 A Q5' 1 33 A H8 6.000 3.000 7.000 3.830 3.697 3.940 . 0 0 "[ . 1 . 2]" 4
163 1 33 A H1' 1 33 A H2' 3.000 . 3.600 2.812 2.779 2.850 . 0 0 "[ . 1 . 2]" 4
164 1 33 A H1' 1 33 A H3' 4.000 . 4.800 3.823 3.802 3.853 . 0 0 "[ . 1 . 2]" 4
165 1 33 A H1' 1 33 A H4' 3.500 . 4.200 3.076 2.983 3.168 . 0 0 "[ . 1 . 2]" 4
166 1 33 A H1' 1 33 A Q5' 6.000 3.000 7.000 4.267 4.230 4.302 . 0 0 "[ . 1 . 2]" 4
167 1 32 C H6 1 33 A H8 5.000 . 6.000 4.608 4.440 4.712 . 0 0 "[ . 1 . 2]" 4
168 1 32 C H1' 1 33 A H8 4.500 . 5.400 4.769 4.695 4.822 . 0 0 "[ . 1 . 2]" 4
169 1 32 C H2' 1 33 A H8 2.000 . 2.400 2.305 2.249 2.416 0.016 6 0 "[ . 1 . 2]" 4
170 1 32 C H5 1 33 A H8 6.000 3.000 7.000 5.185 4.973 5.344 . 0 0 "[ . 1 . 2]" 4
171 1 32 C H1' 1 33 A H1' 6.000 3.000 7.000 5.649 5.549 5.756 . 0 0 "[ . 1 . 2]" 4
172 1 34 G H1' 1 34 G H8 4.000 . 4.800 3.797 3.775 3.811 . 0 0 "[ . 1 . 2]" 4
173 1 34 G H2' 1 34 G H8 4.500 . 5.400 3.825 3.711 3.923 . 0 0 "[ . 1 . 2]" 4
174 1 34 G H3' 1 34 G H8 3.500 . 4.200 3.018 2.794 3.308 . 0 0 "[ . 1 . 2]" 4
175 1 34 G Q5' 1 34 G H8 6.000 3.000 7.000 3.812 3.667 4.011 . 0 0 "[ . 1 . 2]" 4
176 1 34 G H1' 1 34 G H2' 3.000 . 3.600 2.795 2.755 2.852 . 0 0 "[ . 1 . 2]" 4
177 1 34 G H1' 1 34 G H3' 5.000 . 6.000 3.833 3.790 3.864 . 0 0 "[ . 1 . 2]" 4
178 1 34 G H1' 1 34 G Q5' 6.000 3.000 7.000 4.279 4.207 4.315 . 0 0 "[ . 1 . 2]" 4
179 1 33 A H8 1 34 G H8 5.000 . 6.000 4.758 4.520 4.920 . 0 0 "[ . 1 . 2]" 4
180 1 33 A H1' 1 34 G H8 4.500 . 5.400 4.908 4.843 4.959 . 0 0 "[ . 1 . 2]" 4
181 1 33 A H2' 1 34 G H8 2.000 . 2.400 2.223 2.188 2.269 . 0 0 "[ . 1 . 2]" 4
182 1 33 A H4' 1 34 G H8 4.500 . 5.400 5.740 5.603 5.863 0.463 18 0 "[ . 1 . 2]" 4
183 1 33 A H1' 1 34 G H1' 6.000 3.000 7.000 5.395 5.205 5.527 . 0 0 "[ . 1 . 2]" 4
184 1 33 A H2' 1 34 G H1' 4.500 . 5.400 4.054 3.967 4.133 . 0 0 "[ . 1 . 2]" 4
185 1 33 A H4' 1 34 G H1' 6.000 3.000 7.000 7.255 7.133 7.389 0.389 2 0 "[ . 1 . 2]" 4
186 1 35 G H1' 1 35 G H8 4.500 . 5.400 3.807 3.727 3.842 . 0 0 "[ . 1 . 2]" 4
187 1 35 G H2' 1 35 G H8 4.500 . 5.400 3.817 3.635 4.068 . 0 0 "[ . 1 . 2]" 4
188 1 35 G H3' 1 35 G H8 4.500 . 5.400 2.828 2.510 3.221 . 0 0 "[ . 1 . 2]" 4
189 1 35 G H4' 1 35 G H8 4.500 . 5.400 4.313 4.154 4.495 . 0 0 "[ . 1 . 2]" 4
190 1 35 G Q5' 1 35 G H8 6.000 3.000 7.000 3.482 2.639 3.913 0.361 16 0 "[ . 1 . 2]" 4
191 1 35 G H1' 1 35 G H2' 4.500 . 5.400 2.762 2.708 2.820 . 0 0 "[ . 1 . 2]" 4
192 1 35 G H1' 1 35 G H3' 4.500 . 5.400 3.824 3.733 3.871 . 0 0 "[ . 1 . 2]" 4
193 1 35 G H1' 1 35 G H4' 4.500 . 5.400 3.253 3.033 3.418 . 0 0 "[ . 1 . 2]" 4
194 1 35 G H1' 1 35 G Q5' 6.000 3.000 7.000 4.334 4.243 4.412 . 0 0 "[ . 1 . 2]" 4
195 1 34 G H1' 1 35 G H8 4.500 . 5.400 4.882 4.744 5.299 . 0 0 "[ . 1 . 2]" 4
196 1 34 G H2' 1 35 G H8 4.000 . 4.700 2.207 2.131 2.762 . 0 0 "[ . 1 . 2]" 4
197 1 34 G H8 1 35 G H8 4.000 . 4.600 4.568 3.731 4.799 0.199 3 0 "[ . 1 . 2]" 4
198 1 34 G H3' 1 35 G H8 4.500 . 5.400 3.089 2.601 3.527 . 0 0 "[ . 1 . 2]" 4
199 1 34 G Q5' 1 35 G H8 6.000 3.000 7.000 5.690 5.224 6.085 . 0 0 "[ . 1 . 2]" 4
200 1 33 A H2' 1 35 G H8 6.000 3.000 7.000 6.487 5.707 6.759 . 0 0 "[ . 1 . 2]" 4
201 1 34 G H1' 1 35 G H1' 6.000 3.000 7.000 5.649 5.351 6.219 . 0 0 "[ . 1 . 2]" 4
202 1 36 G Q5' 1 36 G H8 6.000 3.000 7.000 4.884 4.511 5.565 . 0 0 "[ . 1 . 2]" 4
203 1 36 G H4' 1 36 G H8 6.000 3.000 7.000 4.913 4.790 5.288 . 0 0 "[ . 1 . 2]" 4
204 1 36 G H3' 1 36 G H8 5.000 2.200 5.900 6.041 5.839 6.180 0.280 6 0 "[ . 1 . 2]" 4
205 1 36 G H2' 1 36 G H8 4.000 . 4.700 4.654 4.583 4.690 . 0 0 "[ . 1 . 2]" 4
206 1 36 G H1' 1 36 G H8 2.500 2.200 3.000 2.928 2.708 3.062 0.062 18 0 "[ . 1 . 2]" 4
207 1 36 G H1' 1 36 G Q5' 6.000 3.000 7.000 4.241 4.082 4.312 . 0 0 "[ . 1 . 2]" 4
208 1 36 G H1' 1 36 G H4' 4.500 . 5.400 3.219 3.012 3.382 . 0 0 "[ . 1 . 2]" 4
209 1 36 G H1' 1 36 G H3' 4.500 . 5.400 3.842 3.798 3.925 . 0 0 "[ . 1 . 2]" 4
210 1 36 G H1' 1 36 G H2' 4.500 . 5.400 3.024 2.999 3.031 . 0 0 "[ . 1 . 2]" 4
211 1 35 G H1' 1 36 G H8 6.000 3.000 7.000 5.654 4.214 7.053 0.053 5 0 "[ . 1 . 2]" 4
212 1 35 G H2' 1 36 G H8 6.000 3.000 7.000 5.490 3.717 7.201 0.201 6 0 "[ . 1 . 2]" 4
213 1 35 G H4' 1 36 G H8 6.000 3.000 7.000 6.001 4.350 7.197 0.197 18 0 "[ . 1 . 2]" 4
214 1 35 G H2' 1 36 G H1' 6.000 3.000 7.000 6.099 4.750 7.226 0.226 8 0 "[ . 1 . 2]" 4
215 1 37 A Q5' 1 37 A H8 6.000 3.000 7.000 3.380 2.608 3.705 0.392 15 0 "[ . 1 . 2]" 4
216 1 37 A H4' 1 37 A H8 6.000 3.000 7.000 4.281 4.027 4.377 . 0 0 "[ . 1 . 2]" 4
217 1 37 A H3' 1 37 A H8 6.000 3.000 7.000 2.943 2.647 3.199 0.353 20 0 "[ . 1 . 2]" 4
218 1 37 A H2' 1 37 A H8 4.500 . 5.400 3.947 3.815 4.093 . 0 0 "[ . 1 . 2]" 4
219 1 37 A H1' 1 37 A H8 4.000 . 4.700 3.773 3.722 3.819 . 0 0 "[ . 1 . 2]" 4
220 1 37 A H1' 1 37 A H2' 4.500 . 5.400 2.749 2.712 2.783 . 0 0 "[ . 1 . 2]" 4
221 1 37 A H1' 1 37 A H3' 4.500 . 5.400 3.822 3.787 3.871 . 0 0 "[ . 1 . 2]" 4
222 1 37 A H1' 1 37 A H4' 4.500 . 5.400 3.295 3.169 3.562 . 0 0 "[ . 1 . 2]" 4
223 1 37 A H1' 1 37 A Q5' 6.000 3.000 7.000 4.339 4.300 4.387 . 0 0 "[ . 1 . 2]" 4
224 1 36 G H1' 1 37 A H8 3.500 2.600 3.900 3.268 2.383 4.188 0.288 6 0 "[ . 1 . 2]" 4
225 1 36 G H2' 1 37 A H8 4.500 . 5.400 3.692 2.628 4.771 . 0 0 "[ . 1 . 2]" 4
226 1 36 G H3' 1 37 A H8 4.500 . 5.400 3.967 3.242 4.540 . 0 0 "[ . 1 . 2]" 4
227 1 36 G H4' 1 37 A H8 5.000 2.200 5.900 4.409 2.278 5.699 . 0 0 "[ . 1 . 2]" 4
228 1 36 G Q5' 1 37 A H8 6.000 3.000 7.000 5.213 3.772 5.894 . 0 0 "[ . 1 . 2]" 4
229 1 36 G H8 1 37 A H8 5.000 2.200 6.300 5.536 3.724 6.542 0.242 13 0 "[ . 1 . 2]" 4
230 1 36 G H1' 1 37 A H1' 6.000 3.000 7.000 4.980 3.696 6.078 . 0 0 "[ . 1 . 2]" 4
231 1 36 G H1' 1 37 A H2' 6.000 3.000 7.000 6.255 5.132 7.129 0.129 13 0 "[ . 1 . 2]" 4
232 1 36 G H1' 1 37 A H5' 6.000 3.000 7.000 4.210 2.841 5.939 0.159 17 0 "[ . 1 . 2]" 4
233 1 38 A Q5' 1 38 A H8 6.000 3.000 7.000 3.503 3.220 3.711 . 0 0 "[ . 1 . 2]" 4
234 1 38 A H3' 1 38 A H8 4.500 . 5.400 2.615 2.404 2.948 . 0 0 "[ . 1 . 2]" 4
235 1 38 A H2' 1 38 A H8 4.500 . 5.400 3.799 3.688 3.921 . 0 0 "[ . 1 . 2]" 4
236 1 38 A H1' 1 38 A H8 4.500 . 5.400 3.820 3.785 3.835 . 0 0 "[ . 1 . 2]" 4
237 1 38 A H1' 1 38 A H2' 4.500 . 5.400 2.737 2.699 2.767 . 0 0 "[ . 1 . 2]" 4
238 1 38 A H1' 1 38 A H3' 6.000 3.000 7.000 3.803 3.769 3.843 . 0 0 "[ . 1 . 2]" 4
239 1 38 A H1' 1 38 A Q5' 6.000 3.000 7.000 4.346 4.301 4.389 . 0 0 "[ . 1 . 2]" 4
240 1 37 A H1' 1 38 A H8 4.500 . 5.400 4.823 4.681 4.978 . 0 0 "[ . 1 . 2]" 4
241 1 37 A H2' 1 38 A H8 4.000 . 4.700 2.185 2.078 2.283 . 0 0 "[ . 1 . 2]" 4
242 1 37 A H3' 1 38 A H8 5.000 2.200 5.900 3.105 2.694 3.518 . 0 0 "[ . 1 . 2]" 4
243 1 37 A Q5' 1 38 A H8 6.000 3.000 7.000 5.615 4.624 6.054 . 0 0 "[ . 1 . 2]" 4
244 1 37 A H8 1 38 A H8 6.000 3.000 7.000 4.841 4.328 5.204 . 0 0 "[ . 1 . 2]" 4
245 1 37 A H3' 1 38 A H1' 6.000 3.000 7.000 6.083 5.692 6.278 . 0 0 "[ . 1 . 2]" 4
246 1 37 A H2' 1 38 A H1' 4.500 . 5.400 3.817 3.485 3.963 . 0 0 "[ . 1 . 2]" 4
247 1 37 A H1' 1 38 A H1' 6.000 3.000 7.000 5.142 4.769 5.702 . 0 0 "[ . 1 . 2]" 4
248 1 37 A H8 1 38 A H1' 6.000 3.000 7.000 7.103 6.430 7.476 0.476 13 0 "[ . 1 . 2]" 4
249 1 39 U H1' 1 39 U H6 4.000 . 4.700 3.621 3.613 3.631 . 0 0 "[ . 1 . 2]" 4
250 1 39 U H2' 1 39 U H6 4.000 . 4.700 3.707 3.666 3.751 . 0 0 "[ . 1 . 2]" 4
251 1 39 U H4' 1 39 U H6 5.000 2.800 5.700 3.912 3.863 3.991 . 0 0 "[ . 1 . 2]" 4
252 1 39 U Q5' 1 39 U H6 6.000 3.000 7.000 3.233 3.142 3.368 . 0 0 "[ . 1 . 2]" 4
253 1 39 U H1' 1 39 U H5 5.000 . 6.000 5.370 5.356 5.379 . 0 0 "[ . 1 . 2]" 4
254 1 39 U H5 1 39 U Q5' 6.000 3.000 7.000 5.199 5.084 5.371 . 0 0 "[ . 1 . 2]" 4
255 1 39 U H1' 1 39 U H2' 3.000 . 3.600 2.744 2.730 2.763 . 0 0 "[ . 1 . 2]" 4
256 1 39 U H1' 1 39 U H3' 4.000 . 4.700 3.791 3.780 3.810 . 0 0 "[ . 1 . 2]" 4
257 1 39 U H1' 1 39 U H4' 3.500 . 4.200 3.273 3.194 3.332 . 0 0 "[ . 1 . 2]" 4
258 1 39 U H1' 1 39 U H5' 6.000 3.000 7.000 4.651 4.622 4.671 . 0 0 "[ . 1 . 2]" 4
259 1 38 A H8 1 39 U H6 5.000 . 6.000 4.991 4.730 5.137 . 0 0 "[ . 1 . 2]" 4
260 1 38 A H1' 1 39 U H6 4.500 . 5.400 4.769 4.720 4.792 . 0 0 "[ . 1 . 2]" 4
261 1 38 A H2' 1 39 U H6 2.000 . 2.400 2.103 2.086 2.142 . 0 0 "[ . 1 . 2]" 4
262 1 38 A H1' 1 39 U H1' 6.000 3.000 7.000 5.646 5.445 5.839 . 0 0 "[ . 1 . 2]" 4
263 1 38 A H2' 1 39 U H1' 4.500 . 5.400 4.199 4.068 4.406 . 0 0 "[ . 1 . 2]" 4
264 1 38 A H1' 1 39 U H5 5.000 . 6.000 5.449 5.323 5.619 . 0 0 "[ . 1 . 2]" 4
265 1 38 A H2' 1 39 U H5 3.500 . 4.200 3.361 3.237 3.511 . 0 0 "[ . 1 . 2]" 4
266 1 38 A H3' 1 39 U H5 6.000 3.000 7.000 3.536 3.225 3.997 . 0 0 "[ . 1 . 2]" 4
267 1 38 A Q5' 1 39 U H5 6.000 3.000 7.000 6.025 5.669 6.497 . 0 0 "[ . 1 . 2]" 4
268 1 38 A H8 1 39 U H5 4.000 . 4.700 4.028 3.652 4.431 . 0 0 "[ . 1 . 2]" 4
269 1 40 C H1' 1 40 C H6 4.000 . 4.700 3.618 3.607 3.629 . 0 0 "[ . 1 . 2]" 4
270 1 40 C H2' 1 40 C H6 4.000 . 4.700 3.703 3.631 3.749 . 0 0 "[ . 1 . 2]" 4
271 1 40 C H1' 1 40 C H5 6.000 3.000 7.000 5.377 5.366 5.386 . 0 0 "[ . 1 . 2]" 4
272 1 40 C H1' 1 40 C H2' 3.000 . 3.600 2.746 2.728 2.768 . 0 0 "[ . 1 . 2]" 4
273 1 39 U H6 1 40 C H6 5.000 . 6.000 4.954 4.798 5.080 . 0 0 "[ . 1 . 2]" 4
274 1 39 U H5 1 40 C H6 6.000 3.000 7.000 5.826 5.578 6.009 . 0 0 "[ . 1 . 2]" 4
275 1 39 U H2' 1 40 C H6 2.000 . 2.400 2.162 2.123 2.208 . 0 0 "[ . 1 . 2]" 4
276 1 39 U H1' 1 40 C H6 4.500 . 5.400 4.835 4.787 4.877 . 0 0 "[ . 1 . 2]" 4
277 1 39 U H6 1 40 C H5 4.000 . 4.700 4.317 4.132 4.484 . 0 0 "[ . 1 . 2]" 4
278 1 39 U H5 1 40 C H5 4.000 . 4.700 4.190 3.855 4.363 . 0 0 "[ . 1 . 2]" 4
279 1 39 U H1' 1 40 C H5 6.000 3.000 7.000 5.677 5.538 5.818 . 0 0 "[ . 1 . 2]" 4
280 1 41 U H1' 1 41 U H6 4.000 . 4.700 3.610 3.600 3.618 . 0 0 "[ . 1 . 2]" 4
281 1 41 U H2' 1 41 U H6 4.000 . 4.700 3.728 3.692 3.766 . 0 0 "[ . 1 . 2]" 4
282 1 41 U H1' 1 41 U H5 6.000 3.000 7.000 5.356 5.347 5.361 . 0 0 "[ . 1 . 2]" 4
283 1 41 U H1' 1 41 U H2' 3.000 . 3.600 2.756 2.739 2.774 . 0 0 "[ . 1 . 2]" 4
284 1 40 C H6 1 41 U H6 5.000 . 6.000 4.872 4.732 5.000 . 0 0 "[ . 1 . 2]" 4
285 1 40 C H1' 1 41 U H6 4.500 . 5.400 4.804 4.753 4.853 . 0 0 "[ . 1 . 2]" 4
286 1 40 C H2' 1 41 U H6 2.000 . 2.400 2.146 2.104 2.180 . 0 0 "[ . 1 . 2]" 4
287 1 40 C H1' 1 41 U H5 5.000 . 6.000 5.486 5.387 5.590 . 0 0 "[ . 1 . 2]" 4
288 1 40 C H6 1 41 U H5 4.000 . 4.700 4.080 3.825 4.277 . 0 0 "[ . 1 . 2]" 4
289 1 40 C H5 1 41 U H5 4.000 . 4.700 3.814 3.578 4.086 . 0 0 "[ . 1 . 2]" 4
290 1 42 U H1' 1 42 U H6 4.000 . 4.700 3.612 3.601 3.621 . 0 0 "[ . 1 . 2]" 4
291 1 42 U H2' 1 42 U H6 4.000 . 4.700 3.736 3.672 3.770 . 0 0 "[ . 1 . 2]" 4
292 1 42 U H1' 1 42 U H5 6.000 3.000 7.000 5.356 5.346 5.366 . 0 0 "[ . 1 . 2]" 4
293 1 42 U H1' 1 42 U H2' 3.000 . 3.600 2.745 2.735 2.764 . 0 0 "[ . 1 . 2]" 4
294 1 42 U H1' 1 42 U H3' 5.000 . 6.000 3.790 3.778 3.814 . 0 0 "[ . 1 . 2]" 4
295 1 42 U H1' 1 42 U H4' 4.000 . 4.700 3.272 3.212 3.310 . 0 0 "[ . 1 . 2]" 4
296 1 41 U H6 1 42 U H6 5.000 . 6.000 4.888 4.809 4.965 . 0 0 "[ . 1 . 2]" 4
297 1 41 U H1' 1 42 U H6 4.500 . 5.400 4.834 4.796 4.881 . 0 0 "[ . 1 . 2]" 4
298 1 41 U H2' 1 42 U H6 2.000 . 2.400 2.137 2.108 2.163 . 0 0 "[ . 1 . 2]" 4
299 1 41 U H1' 1 42 U H5 5.000 . 6.000 5.544 5.436 5.650 . 0 0 "[ . 1 . 2]" 4
300 1 41 U H6 1 42 U H5 4.000 . 4.700 4.040 3.929 4.148 . 0 0 "[ . 1 . 2]" 4
301 1 41 U H5 1 42 U H5 4.000 . 4.700 4.005 3.869 4.150 . 0 0 "[ . 1 . 2]" 4
302 1 41 U H1' 1 42 U H1' 6.000 3.000 7.000 5.752 5.681 5.866 . 0 0 "[ . 1 . 2]" 4
303 1 43 C H1' 1 43 C H6 4.000 . 4.700 3.621 3.612 3.627 . 0 0 "[ . 1 . 2]" 4
304 1 43 C H2' 1 43 C H6 4.000 . 4.700 3.688 3.642 3.716 . 0 0 "[ . 1 . 2]" 4
305 1 43 C H1' 1 43 C H2' 3.000 . 3.600 2.751 2.739 2.773 . 0 0 "[ . 1 . 2]" 4
306 1 43 C H2' 1 43 C H5 6.000 3.000 7.000 5.191 5.121 5.231 . 0 0 "[ . 1 . 2]" 4
307 1 43 C H1' 1 43 C H5 6.000 3.000 7.000 5.374 5.363 5.380 . 0 0 "[ . 1 . 2]" 4
308 1 42 U H6 1 43 C H6 5.000 . 6.000 4.914 4.816 4.993 . 0 0 "[ . 1 . 2]" 4
309 1 42 U H1' 1 43 C H6 4.500 . 5.400 4.821 4.796 4.852 . 0 0 "[ . 1 . 2]" 4
310 1 42 U H2' 1 43 C H6 2.000 . 2.400 2.154 2.130 2.174 . 0 0 "[ . 1 . 2]" 4
311 1 42 U H1' 1 43 C H1' 6.000 3.000 7.000 5.615 5.541 5.707 . 0 0 "[ . 1 . 2]" 4
312 1 42 U H6 1 43 C H5 4.000 . 4.700 4.240 4.078 4.342 . 0 0 "[ . 1 . 2]" 4
313 1 42 U H5 1 43 C H5 4.000 . 4.700 4.128 3.972 4.223 . 0 0 "[ . 1 . 2]" 4
314 1 44 C H1' 1 44 C H6 4.000 . 4.700 3.619 3.612 3.623 . 0 0 "[ . 1 . 2]" 4
315 1 44 C H2' 1 44 C H6 4.000 . 4.700 3.659 3.614 3.685 . 0 0 "[ . 1 . 2]" 4
316 1 44 C H1' 1 44 C H2' 3.000 . 3.600 2.762 2.751 2.772 . 0 0 "[ . 1 . 2]" 4
317 1 44 C H2' 1 44 C H5 5.000 2.500 5.900 5.123 5.078 5.157 . 0 0 "[ . 1 . 2]" 4
318 1 43 C H6 1 44 C H6 5.000 . 6.000 4.935 4.878 4.997 . 0 0 "[ . 1 . 2]" 4
319 1 43 C H1' 1 44 C H6 4.500 . 5.400 4.869 4.847 4.901 . 0 0 "[ . 1 . 2]" 4
320 1 43 C H2' 1 44 C H6 2.000 . 2.400 2.206 2.184 2.223 . 0 0 "[ . 1 . 2]" 4
321 1 43 C H2' 1 44 C H5 4.500 . 5.400 3.704 3.639 3.754 . 0 0 "[ . 1 . 2]" 4
322 1 43 C H5 1 44 C H5 4.000 . 4.700 4.145 4.049 4.253 . 0 0 "[ . 1 . 2]" 4
323 1 43 C H6 1 44 C H5 4.000 . 4.700 4.412 4.354 4.480 . 0 0 "[ . 1 . 2]" 4
324 1 45 C H1' 1 45 C H6 4.000 . 4.700 3.614 3.606 3.625 . 0 0 "[ . 1 . 2]" 4
325 1 45 C H2' 1 45 C H6 4.000 . 4.700 3.650 3.604 3.685 . 0 0 "[ . 1 . 2]" 4
326 1 45 C H2' 1 45 C H5 4.500 . 5.400 5.133 5.082 5.163 . 0 0 "[ . 1 . 2]" 4
327 1 45 C H1' 1 45 C H2' 3.000 . 3.600 2.801 2.780 2.815 . 0 0 "[ . 1 . 2]" 4
328 1 44 C H6 1 45 C H6 5.000 . 6.000 4.411 4.357 4.444 . 0 0 "[ . 1 . 2]" 4
329 1 44 C H1' 1 45 C H6 4.500 . 5.400 4.808 4.797 4.821 . 0 0 "[ . 1 . 2]" 4
330 1 44 C H2' 1 45 C H6 2.000 . 2.400 2.237 2.225 2.249 . 0 0 "[ . 1 . 2]" 4
331 1 44 C H1' 1 45 C H1' 6.000 3.000 7.000 5.458 5.411 5.498 . 0 0 "[ . 1 . 2]" 4
332 1 44 C H2' 1 45 C H1' 6.000 3.000 7.000 3.902 3.878 3.922 . 0 0 "[ . 1 . 2]" 4
333 1 44 C H5 1 45 C H1' 6.000 3.000 7.000 7.394 7.351 7.427 0.427 7 0 "[ . 1 . 2]" 4
334 1 44 C H6 1 45 C H5 4.000 . 4.700 3.960 3.898 4.004 . 0 0 "[ . 1 . 2]" 4
335 1 44 C H2' 1 45 C H5 3.500 . 4.200 4.005 3.971 4.041 . 0 0 "[ . 1 . 2]" 4
stop_
save_
save_distance_constraint_statistics_5
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 5
_Distance_constraint_stats_list.Constraint_count 51
_Distance_constraint_stats_list.Viol_count 112
_Distance_constraint_stats_list.Viol_total 202.327
_Distance_constraint_stats_list.Viol_max 0.242
_Distance_constraint_stats_list.Viol_rms 0.0353
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0099
_Distance_constraint_stats_list.Viol_average_violations_only 0.0903
_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 4 A 0.000 0.000 . 0 "[ . 1 . 2]"
1 5 A 0.000 0.000 . 0 "[ . 1 . 2]"
1 6 G 0.000 0.000 . 0 "[ . 1 . 2]"
1 7 A 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 U 0.559 0.113 1 0 "[ . 1 . 2]"
1 9 C 0.827 0.242 2 0 "[ . 1 . 2]"
1 11 G 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 U 1.029 0.086 8 0 "[ . 1 . 2]"
1 17 C 0.017 0.010 8 0 "[ . 1 . 2]"
1 20 A 3.577 0.236 14 0 "[ . 1 . 2]"
1 21 C 0.000 0.000 . 0 "[ . 1 . 2]"
1 22 A 3.762 0.236 14 0 "[ . 1 . 2]"
1 23 A 2.122 0.214 3 0 "[ . 1 . 2]"
1 24 G 1.937 0.214 3 0 "[ . 1 . 2]"
1 27 A 1.046 0.086 8 0 "[ . 1 . 2]"
1 28 A 0.000 0.000 . 0 "[ . 1 . 2]"
1 29 G 0.000 0.000 . 0 "[ . 1 . 2]"
1 33 A 1.956 0.226 15 0 "[ . 1 . 2]"
1 34 G 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 G 1.956 0.226 15 0 "[ . 1 . 2]"
1 37 A 0.030 0.030 15 0 "[ . 1 . 2]"
1 38 A 1.415 0.242 2 0 "[ . 1 . 2]"
1 39 U 0.000 0.000 . 0 "[ . 1 . 2]"
1 40 C 0.000 0.000 . 0 "[ . 1 . 2]"
1 42 U 0.000 0.000 . 0 "[ . 1 . 2]"
1 43 C 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 27 A H2 1 28 A H1' 4.000 . 4.900 4.222 4.129 4.333 . 0 0 "[ . 1 . 2]" 5
2 1 17 C H1' 1 27 A H2 4.500 . 5.400 5.316 5.204 5.410 0.010 8 0 "[ . 1 . 2]" 5
3 1 28 A H2 1 29 G H1' 4.000 . 4.900 3.839 3.772 3.968 . 0 0 "[ . 1 . 2]" 5
4 1 16 U H1' 1 27 A H2 4.500 . 5.400 5.451 5.412 5.486 0.086 8 0 "[ . 1 . 2]" 5
5 1 27 A H2 1 28 A H2 4.500 . 5.400 4.389 4.302 4.428 . 0 0 "[ . 1 . 2]" 5
6 1 27 A H2 1 28 A H8 6.000 3.000 7.000 4.553 4.437 4.648 . 0 0 "[ . 1 . 2]" 5
7 1 20 A H2 1 22 A H1' 6.000 3.000 7.000 6.996 6.605 7.229 0.229 18 0 "[ . 1 . 2]" 5
8 1 20 A H2 1 21 C H1' 4.500 . 5.500 4.346 4.099 4.599 . 0 0 "[ . 1 . 2]" 5
9 1 20 A H2 1 22 A H8 4.500 3.000 5.500 5.543 4.090 5.736 0.236 14 0 "[ . 1 . 2]" 5
10 1 23 A H2 1 24 G H8 6.000 3.000 7.000 7.090 6.861 7.214 0.214 3 0 "[ . 1 . 2]" 5
11 1 23 A H2 1 24 G H1' 6.000 3.000 7.000 4.835 4.437 5.039 . 0 0 "[ . 1 . 2]" 5
12 1 22 A H1' 1 23 A H2 6.000 3.000 7.500 7.361 7.015 7.588 0.088 2 0 "[ . 1 . 2]" 5
13 1 22 A H2 1 23 A H1' 4.500 3.000 5.400 3.769 3.289 4.864 . 0 0 "[ . 1 . 2]" 5
14 1 22 A H2 1 23 A H2 6.000 3.000 7.000 5.951 4.063 6.497 . 0 0 "[ . 1 . 2]" 5
15 1 23 A H1' 1 23 A H2 6.000 3.000 7.000 4.558 4.494 4.606 . 0 0 "[ . 1 . 2]" 5
16 1 20 A H1' 1 20 A H2 6.000 3.000 7.000 4.673 4.639 4.730 . 0 0 "[ . 1 . 2]" 5
17 1 4 A H1' 1 4 A H2 6.000 3.000 7.000 4.708 4.686 4.726 . 0 0 "[ . 1 . 2]" 5
18 1 4 A H2 1 5 A H1' 4.500 . 5.400 4.071 3.980 4.236 . 0 0 "[ . 1 . 2]" 5
19 1 4 A H2 1 43 C H1' 4.500 . 5.400 4.013 3.855 4.227 . 0 0 "[ . 1 . 2]" 5
20 1 4 A H2 1 4 A H8 6.000 3.000 7.000 6.427 6.423 6.429 . 0 0 "[ . 1 . 2]" 5
21 1 4 A H2 1 5 A H8 6.000 3.200 6.900 5.482 5.339 5.595 . 0 0 "[ . 1 . 2]" 5
22 1 4 A H2 1 5 A H2 4.500 . 5.400 4.950 4.824 5.051 . 0 0 "[ . 1 . 2]" 5
23 1 4 A H2 1 43 C H6 6.000 3.000 7.000 5.922 5.782 6.028 . 0 0 "[ . 1 . 2]" 5
24 1 5 A H1' 1 5 A H2 6.000 3.000 7.000 4.702 4.676 4.729 . 0 0 "[ . 1 . 2]" 5
25 1 5 A H2 1 6 G H1' 4.500 . 5.400 4.134 4.024 4.278 . 0 0 "[ . 1 . 2]" 5
26 1 5 A H2 1 42 U H1' 4.500 . 5.400 4.323 3.986 4.601 . 0 0 "[ . 1 . 2]" 5
27 1 5 A H2 1 6 G H8 6.000 3.000 7.000 5.294 5.198 5.359 . 0 0 "[ . 1 . 2]" 5
28 1 7 A H1' 1 7 A H2 6.000 3.000 7.000 4.705 4.673 4.723 . 0 0 "[ . 1 . 2]" 5
29 1 7 A H2 1 8 U H1' 4.500 . 5.400 4.791 3.947 5.190 . 0 0 "[ . 1 . 2]" 5
30 1 7 A H2 1 40 C H1' 4.500 . 5.400 4.373 4.018 4.698 . 0 0 "[ . 1 . 2]" 5
31 1 7 A H2 1 7 A H8 6.000 3.000 7.000 6.427 6.421 6.429 . 0 0 "[ . 1 . 2]" 5
32 1 7 A H2 1 8 U H6 6.000 3.000 7.000 5.739 5.286 5.950 . 0 0 "[ . 1 . 2]" 5
33 1 33 A H1' 1 33 A H2 6.000 3.000 7.000 4.684 4.666 4.703 . 0 0 "[ . 1 . 2]" 5
34 1 33 A H2 1 34 G H1' 4.500 . 5.400 3.923 3.638 4.101 . 0 0 "[ . 1 . 2]" 5
35 1 11 G H1' 1 33 A H2 4.500 . 5.400 3.868 3.761 4.019 . 0 0 "[ . 1 . 2]" 5
36 1 33 A H2 1 34 G H8 6.000 3.000 7.000 5.638 5.477 5.729 . 0 0 "[ . 1 . 2]" 5
37 1 11 G H8 1 33 A H2 6.000 3.000 7.000 5.128 4.946 5.336 . 0 0 "[ . 1 . 2]" 5
38 1 33 A H2 1 35 G H8 7.000 4.000 8.000 8.076 7.737 8.226 0.226 15 0 "[ . 1 . 2]" 5
39 1 37 A H1' 1 37 A H2 6.000 3.000 7.000 4.707 4.655 4.784 . 0 0 "[ . 1 . 2]" 5
40 1 37 A H2 1 38 A H1' 4.500 . 5.400 3.400 3.038 3.859 . 0 0 "[ . 1 . 2]" 5
41 1 37 A H2 1 37 A H8 6.000 3.000 7.000 6.426 6.423 6.430 . 0 0 "[ . 1 . 2]" 5
42 1 37 A H2 1 38 A H8 6.000 3.000 7.000 5.491 5.005 5.901 . 0 0 "[ . 1 . 2]" 5
43 1 38 A H1' 1 38 A H2 6.000 3.000 7.000 4.670 4.642 4.709 . 0 0 "[ . 1 . 2]" 5
44 1 38 A H2 1 39 U H1' 4.500 . 5.400 4.448 4.173 4.914 . 0 0 "[ . 1 . 2]" 5
45 1 8 U H1' 1 38 A H2 6.000 3.000 7.000 4.985 4.555 5.171 . 0 0 "[ . 1 . 2]" 5
46 1 8 U H2' 1 38 A H2 6.000 3.000 7.000 6.741 5.881 7.113 0.113 1 0 "[ . 1 . 2]" 5
47 1 9 C H1' 1 38 A H2 6.000 3.000 7.000 6.591 5.373 7.242 0.242 2 0 "[ . 1 . 2]" 5
48 1 37 A H2 1 38 A H2 4.000 . 4.900 3.919 3.185 4.930 0.030 15 0 "[ . 1 . 2]" 5
49 1 38 A H2 1 38 A H8 6.000 3.000 7.000 6.425 6.419 6.428 . 0 0 "[ . 1 . 2]" 5
50 1 38 A H2 1 39 U H6 6.000 3.000 7.000 5.614 5.394 5.783 . 0 0 "[ . 1 . 2]" 5
51 1 38 A H2 1 39 U H5 6.000 3.000 7.000 5.781 5.424 6.044 . 0 0 "[ . 1 . 2]" 5
stop_
save_
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