Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
527036 | 2ldl RC | 17671 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2ldl
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 389
_Distance_constraint_stats_list.Viol_count 1035
_Distance_constraint_stats_list.Viol_total 475.946
_Distance_constraint_stats_list.Viol_max 0.143
_Distance_constraint_stats_list.Viol_rms 0.0224
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0085
_Distance_constraint_stats_list.Viol_average_violations_only 0.0383
_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 0.846 0.073 12 0 "[ . 1 ]"
1 2 G 2.111 0.119 1 0 "[ . 1 ]"
1 3 A 3.816 0.131 12 0 "[ . 1 ]"
1 4 U 4.860 0.131 12 0 "[ . 1 ]"
1 5 C 5.506 0.118 11 0 "[ . 1 ]"
1 6 C 4.211 0.123 9 0 "[ . 1 ]"
1 7 A 5.217 0.143 9 0 "[ . 1 ]"
1 8 U 3.359 0.140 3 0 "[ . 1 ]"
1 9 U 3.125 0.098 12 0 "[ . 1 ]"
1 10 C 2.638 0.083 3 0 "[ . 1 ]"
1 11 G 3.029 0.075 7 0 "[ . 1 ]"
1 12 A 1.962 0.046 5 0 "[ . 1 ]"
1 13 U 0.395 0.020 7 0 "[ . 1 ]"
1 14 U 0.584 0.050 10 0 "[ . 1 ]"
1 15 A 2.084 0.059 10 0 "[ . 1 ]"
1 16 G 1.234 0.039 3 0 "[ . 1 ]"
1 17 U 0.168 0.015 4 0 "[ . 1 ]"
1 18 G 1.328 0.095 8 0 "[ . 1 ]"
1 19 A 2.582 0.095 8 0 "[ . 1 ]"
1 20 A 3.205 0.113 11 0 "[ . 1 ]"
1 21 C 2.615 0.113 11 0 "[ . 1 ]"
1 22 G 2.306 0.077 12 0 "[ . 1 ]"
1 23 G 3.094 0.077 12 0 "[ . 1 ]"
1 24 A 4.886 0.108 8 0 "[ . 1 ]"
1 25 U 2.949 0.093 5 0 "[ . 1 ]"
1 26 C 1.850 0.051 2 0 "[ . 1 ]"
1 27 C 1.079 0.048 12 0 "[ . 1 ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 G H1' 1 1 G H8 3.500 2.500 4.500 3.844 3.800 3.872 . 0 0 "[ . 1 ]" 1
2 1 1 G H2' 1 1 G H8 3.500 2.500 4.500 3.791 3.673 3.957 . 0 0 "[ . 1 ]" 1
3 1 1 G H3' 1 1 G H8 3.500 2.500 4.500 2.650 2.498 2.898 0.002 12 0 "[ . 1 ]" 1
4 1 1 G H4' 1 1 G H8 3.500 2.500 4.500 4.003 3.991 4.024 . 0 0 "[ . 1 ]" 1
5 1 1 G H5' 1 1 G H8 3.500 2.500 4.500 3.176 2.842 3.493 . 0 0 "[ . 1 ]" 1
6 1 1 G H1' 1 1 G H5' 4.750 3.500 6.000 4.731 4.584 4.937 . 0 0 "[ . 1 ]" 1
7 1 2 G H1' 1 2 G H8 3.500 2.500 4.500 3.779 3.749 3.820 . 0 0 "[ . 1 ]" 1
8 1 2 G H2' 1 2 G H8 3.500 2.500 4.500 3.891 3.792 3.961 . 0 0 "[ . 1 ]" 1
9 1 2 G H3' 1 2 G H8 3.500 2.500 4.500 3.259 3.001 3.447 . 0 0 "[ . 1 ]" 1
10 1 2 G H4' 1 2 G H8 3.500 2.500 4.500 4.403 4.351 4.443 . 0 0 "[ . 1 ]" 1
11 1 2 G H5' 1 2 G H8 3.500 2.500 4.500 4.031 3.831 4.158 . 0 0 "[ . 1 ]" 1
12 1 2 G H1' 1 2 G H5' 4.750 3.500 6.000 4.736 4.694 4.762 . 0 0 "[ . 1 ]" 1
13 1 3 A H1' 1 3 A H8 3.500 2.500 4.500 3.833 3.793 3.856 . 0 0 "[ . 1 ]" 1
14 1 3 A H2' 1 3 A H8 3.500 2.500 4.500 3.613 3.400 3.795 . 0 0 "[ . 1 ]" 1
15 1 3 A H3' 1 3 A H8 3.500 2.500 4.500 3.219 3.077 3.394 . 0 0 "[ . 1 ]" 1
16 1 3 A H4' 1 3 A H8 3.500 2.500 4.500 4.510 4.487 4.537 0.037 1 0 "[ . 1 ]" 1
17 1 3 A H5' 1 3 A H8 3.500 2.500 4.500 4.123 3.978 4.342 . 0 0 "[ . 1 ]" 1
18 1 3 A H1' 1 3 A H5' 4.750 3.500 6.000 4.633 4.566 4.734 . 0 0 "[ . 1 ]" 1
19 1 4 U H1' 1 4 U H6 3.500 2.500 4.500 3.667 3.658 3.678 . 0 0 "[ . 1 ]" 1
20 1 4 U H2' 1 4 U H6 3.500 2.500 4.500 3.200 3.139 3.263 . 0 0 "[ . 1 ]" 1
21 1 4 U H3' 1 4 U H6 3.500 2.500 4.500 3.179 3.129 3.243 . 0 0 "[ . 1 ]" 1
22 1 4 U H4' 1 4 U H6 3.500 2.500 4.500 4.313 4.270 4.351 . 0 0 "[ . 1 ]" 1
23 1 4 U H5' 1 4 U H6 3.500 2.500 4.500 4.199 4.011 4.365 . 0 0 "[ . 1 ]" 1
24 1 4 U H1' 1 4 U H5' 4.750 3.500 6.000 4.568 4.548 4.583 . 0 0 "[ . 1 ]" 1
25 1 5 C H1' 1 5 C H6 3.500 2.500 4.500 3.703 3.693 3.710 . 0 0 "[ . 1 ]" 1
26 1 5 C H2' 1 5 C H6 3.500 2.500 4.500 2.938 2.895 2.985 . 0 0 "[ . 1 ]" 1
27 1 5 C H3' 1 5 C H6 3.500 2.500 4.500 2.997 2.926 3.055 . 0 0 "[ . 1 ]" 1
28 1 5 C H4' 1 5 C H6 3.500 2.500 4.500 4.406 4.392 4.422 . 0 0 "[ . 1 ]" 1
29 1 5 C H5' 1 5 C H6 3.500 2.500 4.500 4.442 4.421 4.460 . 0 0 "[ . 1 ]" 1
30 1 5 C H1' 1 5 C H5' 4.750 3.500 6.000 4.503 4.468 4.522 . 0 0 "[ . 1 ]" 1
31 1 6 C H1' 1 6 C H6 3.500 2.500 4.500 3.699 3.694 3.702 . 0 0 "[ . 1 ]" 1
32 1 6 C H2' 1 6 C H6 3.500 2.500 4.500 3.039 3.021 3.056 . 0 0 "[ . 1 ]" 1
33 1 6 C H3' 1 6 C H6 3.500 2.500 4.500 2.633 2.538 2.708 . 0 0 "[ . 1 ]" 1
34 1 6 C H4' 1 6 C H6 3.500 2.500 4.500 4.264 4.245 4.277 . 0 0 "[ . 1 ]" 1
35 1 6 C H5' 1 6 C H6 3.500 2.500 4.500 4.309 4.288 4.325 . 0 0 "[ . 1 ]" 1
36 1 6 C H1' 1 6 C H5' 4.750 3.500 6.000 4.605 4.589 4.620 . 0 0 "[ . 1 ]" 1
37 1 7 A H1' 1 7 A H8 3.500 2.500 4.500 3.722 3.708 3.745 . 0 0 "[ . 1 ]" 1
38 1 7 A H2' 1 7 A H8 3.500 2.500 4.500 4.032 4.015 4.046 . 0 0 "[ . 1 ]" 1
39 1 7 A H3' 1 7 A H8 3.500 2.500 4.500 3.718 3.538 3.801 . 0 0 "[ . 1 ]" 1
40 1 7 A H4' 1 7 A H8 3.500 2.500 4.500 4.547 4.525 4.556 0.056 3 0 "[ . 1 ]" 1
41 1 7 A H5' 1 7 A H8 3.500 2.500 4.500 4.418 4.366 4.444 . 0 0 "[ . 1 ]" 1
42 1 7 A H1' 1 7 A H5' 4.750 3.500 6.000 4.724 4.707 4.760 . 0 0 "[ . 1 ]" 1
43 1 8 U H1' 1 8 U H6 3.500 2.500 4.500 3.654 3.597 3.669 . 0 0 "[ . 1 ]" 1
44 1 8 U H2' 1 8 U H6 3.500 2.500 4.500 3.308 3.218 3.707 . 0 0 "[ . 1 ]" 1
45 1 8 U H3' 1 8 U H6 3.500 2.500 4.500 3.107 2.962 3.215 . 0 0 "[ . 1 ]" 1
46 1 8 U H4' 1 8 U H6 3.500 2.500 4.500 4.245 4.086 4.286 . 0 0 "[ . 1 ]" 1
47 1 8 U H5' 1 8 U H6 3.500 2.500 4.500 3.886 3.599 3.981 . 0 0 "[ . 1 ]" 1
48 1 8 U H1' 1 8 U H5' 4.750 3.500 6.000 4.560 4.533 4.645 . 0 0 "[ . 1 ]" 1
49 1 9 U H1' 1 9 U H6 3.500 2.500 4.500 3.693 3.634 3.706 . 0 0 "[ . 1 ]" 1
50 1 9 U H2' 1 9 U H6 3.500 2.500 4.500 2.833 2.717 3.363 . 0 0 "[ . 1 ]" 1
51 1 9 U H3' 1 9 U H6 3.500 2.500 4.500 3.548 3.303 3.622 . 0 0 "[ . 1 ]" 1
52 1 9 U H4' 1 9 U H6 3.500 2.500 4.500 4.452 4.291 4.490 . 0 0 "[ . 1 ]" 1
53 1 9 U H5' 1 9 U H6 3.500 2.500 4.500 4.488 4.262 4.538 0.038 2 0 "[ . 1 ]" 1
54 1 9 U H1' 1 9 U H5' 4.750 3.500 6.000 4.521 4.497 4.602 . 0 0 "[ . 1 ]" 1
55 1 10 C H1' 1 10 C H6 3.500 2.500 4.500 3.713 3.694 3.723 . 0 0 "[ . 1 ]" 1
56 1 10 C H2' 1 10 C H6 3.500 2.500 4.500 3.081 3.000 3.234 . 0 0 "[ . 1 ]" 1
57 1 10 C H3' 1 10 C H6 3.500 2.500 4.500 2.681 2.612 2.781 . 0 0 "[ . 1 ]" 1
58 1 10 C H4' 1 10 C H6 3.500 2.500 4.500 4.257 4.212 4.274 . 0 0 "[ . 1 ]" 1
59 1 10 C H5' 1 10 C H6 3.500 2.500 4.500 3.833 3.695 3.888 . 0 0 "[ . 1 ]" 1
60 1 10 C H1' 1 10 C H5' 4.750 3.500 6.000 4.518 4.505 4.526 . 0 0 "[ . 1 ]" 1
61 1 18 G H1' 1 18 G H8 3.500 2.500 4.500 3.718 3.685 3.737 . 0 0 "[ . 1 ]" 1
62 1 18 G H2' 1 18 G H8 3.500 2.500 4.500 4.123 4.092 4.180 . 0 0 "[ . 1 ]" 1
63 1 18 G H3' 1 18 G H8 3.500 2.500 4.500 3.382 3.292 3.515 . 0 0 "[ . 1 ]" 1
64 1 18 G H4' 1 18 G H8 3.500 2.500 4.500 4.141 4.083 4.216 . 0 0 "[ . 1 ]" 1
65 1 18 G H5' 1 18 G H8 3.500 2.500 4.500 2.854 2.756 2.980 . 0 0 "[ . 1 ]" 1
66 1 18 G H1' 1 18 G H5' 4.750 3.500 6.000 4.576 4.571 4.581 . 0 0 "[ . 1 ]" 1
67 1 19 A H1' 1 19 A H8 3.500 2.500 4.500 3.849 3.841 3.855 . 0 0 "[ . 1 ]" 1
68 1 19 A H2' 1 19 A H8 3.500 2.500 4.500 3.667 3.633 3.702 . 0 0 "[ . 1 ]" 1
69 1 19 A H3' 1 19 A H8 3.500 2.500 4.500 3.000 2.921 3.058 . 0 0 "[ . 1 ]" 1
70 1 19 A H4' 1 19 A H8 3.500 2.500 4.500 4.400 4.373 4.432 . 0 0 "[ . 1 ]" 1
71 1 19 A H5' 1 19 A H8 3.500 2.500 4.500 3.628 3.568 3.730 . 0 0 "[ . 1 ]" 1
72 1 19 A H1' 1 19 A H5' 4.750 3.500 6.000 4.580 4.564 4.605 . 0 0 "[ . 1 ]" 1
73 1 20 A H1' 1 20 A H8 3.500 2.500 4.500 3.876 3.862 3.885 . 0 0 "[ . 1 ]" 1
74 1 20 A H2' 1 20 A H8 3.500 2.500 4.500 3.342 3.258 3.500 . 0 0 "[ . 1 ]" 1
75 1 20 A H3' 1 20 A H8 3.500 2.500 4.500 2.910 2.844 3.010 . 0 0 "[ . 1 ]" 1
76 1 20 A H4' 1 20 A H8 3.500 2.500 4.500 4.526 4.511 4.541 0.041 7 0 "[ . 1 ]" 1
77 1 20 A H5' 1 20 A H8 3.500 2.500 4.500 4.132 4.035 4.284 . 0 0 "[ . 1 ]" 1
78 1 20 A H1' 1 20 A H5' 4.750 3.500 6.000 4.561 4.532 4.620 . 0 0 "[ . 1 ]" 1
79 1 21 C H1' 1 21 C H6 3.500 2.500 4.500 3.594 3.576 3.613 . 0 0 "[ . 1 ]" 1
80 1 21 C H2' 1 21 C H6 3.500 2.500 4.500 3.706 3.616 3.779 . 0 0 "[ . 1 ]" 1
81 1 21 C H3' 1 21 C H6 3.500 2.500 4.500 2.937 2.836 3.017 . 0 0 "[ . 1 ]" 1
82 1 21 C H4' 1 21 C H6 3.500 2.500 4.500 4.090 4.064 4.136 . 0 0 "[ . 1 ]" 1
83 1 21 C H1' 1 21 C H5' 4.750 3.500 6.000 4.791 4.765 4.807 . 0 0 "[ . 1 ]" 1
84 1 22 G H1' 1 22 G H8 3.500 2.500 4.500 3.845 3.792 3.872 . 0 0 "[ . 1 ]" 1
85 1 22 G H2' 1 22 G H8 3.500 2.500 4.500 3.482 3.262 3.809 . 0 0 "[ . 1 ]" 1
86 1 22 G H3' 1 22 G H8 3.500 2.500 4.500 3.169 3.023 3.309 . 0 0 "[ . 1 ]" 1
87 1 22 G H4' 1 22 G H8 3.500 2.500 4.500 4.531 4.504 4.554 0.054 10 0 "[ . 1 ]" 1
88 1 22 G H5' 1 22 G H8 3.500 2.500 4.500 4.172 4.075 4.336 . 0 0 "[ . 1 ]" 1
89 1 22 G H1' 1 22 G H5' 4.750 3.500 6.000 4.584 4.529 4.690 . 0 0 "[ . 1 ]" 1
90 1 23 G H1' 1 23 G H8 3.500 2.500 4.500 3.826 3.791 3.843 . 0 0 "[ . 1 ]" 1
91 1 23 G H2' 1 23 G H8 3.500 2.500 4.500 3.477 3.360 3.702 . 0 0 "[ . 1 ]" 1
92 1 23 G H3' 1 23 G H8 3.500 2.500 4.500 3.331 3.260 3.433 . 0 0 "[ . 1 ]" 1
93 1 23 G H4' 1 23 G H8 3.500 2.500 4.500 4.549 4.525 4.561 0.061 4 0 "[ . 1 ]" 1
94 1 23 G H5' 1 23 G H8 3.500 2.500 4.500 4.420 4.337 4.486 . 0 0 "[ . 1 ]" 1
95 1 23 G H1' 1 23 G H5' 4.750 3.500 6.000 4.623 4.588 4.692 . 0 0 "[ . 1 ]" 1
96 1 24 A H1' 1 24 A H8 3.500 2.500 4.500 3.842 3.839 3.845 . 0 0 "[ . 1 ]" 1
97 1 24 A H2' 1 24 A H8 3.500 2.500 4.500 3.255 3.241 3.270 . 0 0 "[ . 1 ]" 1
98 1 24 A H3' 1 24 A H8 3.500 2.500 4.500 3.403 3.371 3.457 . 0 0 "[ . 1 ]" 1
99 1 24 A H4' 1 24 A H8 3.500 2.500 4.500 4.596 4.586 4.608 0.108 8 0 "[ . 1 ]" 1
100 1 24 A H5' 1 24 A H8 3.500 2.500 4.500 4.486 4.389 4.515 0.015 7 0 "[ . 1 ]" 1
101 1 24 A H1' 1 24 A H5' 4.750 3.500 6.000 4.575 4.543 4.598 . 0 0 "[ . 1 ]" 1
102 1 25 U H1' 1 25 U H6 3.500 2.500 4.500 3.700 3.696 3.703 . 0 0 "[ . 1 ]" 1
103 1 25 U H2' 1 25 U H6 3.500 2.500 4.500 2.758 2.726 2.793 . 0 0 "[ . 1 ]" 1
104 1 25 U H3' 1 25 U H6 3.500 2.500 4.500 3.536 3.517 3.558 . 0 0 "[ . 1 ]" 1
105 1 25 U H4' 1 25 U H6 3.500 2.500 4.500 4.457 4.452 4.464 . 0 0 "[ . 1 ]" 1
106 1 25 U H5' 1 25 U H6 3.500 2.500 4.500 4.511 4.502 4.517 0.017 2 0 "[ . 1 ]" 1
107 1 25 U H1' 1 25 U H5' 4.750 3.500 6.000 4.546 4.538 4.551 . 0 0 "[ . 1 ]" 1
108 1 26 C H1' 1 26 C H6 3.500 2.500 4.500 3.727 3.725 3.729 . 0 0 "[ . 1 ]" 1
109 1 26 C H2' 1 26 C H6 3.500 2.500 4.500 2.794 2.771 2.822 . 0 0 "[ . 1 ]" 1
110 1 26 C H3' 1 26 C H6 3.500 2.500 4.500 2.646 2.593 2.715 . 0 0 "[ . 1 ]" 1
111 1 26 C H4' 1 26 C H6 3.500 2.500 4.500 4.320 4.292 4.350 . 0 0 "[ . 1 ]" 1
112 1 26 C H5' 1 26 C H6 3.500 2.500 4.500 3.997 3.945 4.034 . 0 0 "[ . 1 ]" 1
113 1 26 C H1' 1 26 C H5' 4.750 3.500 6.000 4.512 4.501 4.521 . 0 0 "[ . 1 ]" 1
114 1 27 C H1' 1 27 C H6 3.500 2.500 4.500 3.618 3.604 3.630 . 0 0 "[ . 1 ]" 1
115 1 27 C H2' 1 27 C H6 3.500 2.500 4.500 3.441 3.367 3.520 . 0 0 "[ . 1 ]" 1
116 1 27 C H3' 1 27 C H6 3.500 2.500 4.500 3.215 3.158 3.292 . 0 0 "[ . 1 ]" 1
117 1 27 C H4' 1 27 C H6 3.500 2.500 4.500 4.205 4.175 4.236 . 0 0 "[ . 1 ]" 1
118 1 27 C H5' 1 27 C H6 3.500 2.500 4.500 4.135 4.070 4.202 . 0 0 "[ . 1 ]" 1
119 1 27 C H1' 1 27 C H5' 4.750 3.500 6.000 4.667 4.640 4.690 . 0 0 "[ . 1 ]" 1
120 1 1 G H1' 1 2 G H8 3.500 2.500 4.500 4.565 4.553 4.573 0.073 12 0 "[ . 1 ]" 1
121 1 1 G H2' 1 2 G H8 2.400 . 3.000 2.092 2.071 2.110 . 0 0 "[ . 1 ]" 1
122 1 1 G H3' 1 2 G H8 3.500 2.500 4.500 2.501 2.490 2.532 0.010 2 0 "[ . 1 ]" 1
123 1 1 G H4' 1 2 G H8 4.750 3.500 6.000 5.227 5.205 5.251 . 0 0 "[ . 1 ]" 1
124 1 1 G H8 1 2 G H8 3.500 2.500 4.500 3.973 3.836 4.223 . 0 0 "[ . 1 ]" 1
125 1 1 G H2' 1 2 G H1' 3.500 2.500 4.500 3.484 3.360 3.824 . 0 0 "[ . 1 ]" 1
126 1 1 G H2' 1 2 G H5' 3.500 2.500 4.500 3.131 2.992 3.222 . 0 0 "[ . 1 ]" 1
127 1 1 G O2' 1 2 G H5' 3.500 . 4.500 2.569 2.495 2.641 . 0 0 "[ . 1 ]" 1
128 1 2 G H1' 1 3 A H8 3.500 2.500 4.500 4.605 4.594 4.619 0.119 1 0 "[ . 1 ]" 1
129 1 2 G H2' 1 3 A H8 2.400 . 3.000 1.998 1.982 2.012 . 0 0 "[ . 1 ]" 1
130 1 2 G H3' 1 3 A H8 3.500 2.500 4.500 2.976 2.887 3.190 . 0 0 "[ . 1 ]" 1
131 1 2 G H4' 1 3 A H8 4.750 3.500 6.000 5.482 5.437 5.588 . 0 0 "[ . 1 ]" 1
132 1 2 G H8 1 3 A H8 3.500 2.500 4.500 4.419 4.246 4.511 0.011 12 0 "[ . 1 ]" 1
133 1 2 G H2' 1 3 A H1' 3.500 2.500 4.500 4.158 3.802 4.414 . 0 0 "[ . 1 ]" 1
134 1 2 G H2' 1 3 A H5' 3.500 2.500 4.500 3.219 3.075 3.454 . 0 0 "[ . 1 ]" 1
135 1 2 G O2' 1 3 A H5' 3.500 . 4.500 2.476 2.468 2.485 . 0 0 "[ . 1 ]" 1
136 1 3 A H1' 1 4 U H6 3.500 2.500 4.500 4.612 4.590 4.631 0.131 12 0 "[ . 1 ]" 1
137 1 3 A H2' 1 4 U H6 2.400 . 3.000 1.971 1.958 1.988 . 0 0 "[ . 1 ]" 1
138 1 3 A H3' 1 4 U H6 3.500 2.500 4.500 3.443 3.200 3.676 . 0 0 "[ . 1 ]" 1
139 1 3 A H4' 1 4 U H6 4.750 3.500 6.000 5.681 5.583 5.761 . 0 0 "[ . 1 ]" 1
140 1 3 A H8 1 4 U H6 3.500 2.500 4.500 4.544 4.519 4.568 0.068 1 0 "[ . 1 ]" 1
141 1 3 A H8 1 4 U H5 3.500 2.500 4.500 3.440 3.223 3.598 . 0 0 "[ . 1 ]" 1
142 1 3 A H1' 1 4 U H5 4.750 3.500 6.000 5.203 5.068 5.298 . 0 0 "[ . 1 ]" 1
143 1 3 A H2' 1 4 U H1' 3.500 2.500 4.500 4.322 4.292 4.361 . 0 0 "[ . 1 ]" 1
144 1 3 A H2' 1 4 U H5' 3.500 2.500 4.500 3.518 3.277 3.792 . 0 0 "[ . 1 ]" 1
145 1 3 A O2' 1 4 U H5' 3.500 . 4.500 2.446 2.442 2.451 . 0 0 "[ . 1 ]" 1
146 1 4 U H1' 1 5 C H6 3.500 2.500 4.500 4.605 4.594 4.618 0.118 11 0 "[ . 1 ]" 1
147 1 4 U H2' 1 5 C H6 2.400 . 3.000 2.015 2.002 2.031 . 0 0 "[ . 1 ]" 1
148 1 4 U H3' 1 5 C H6 3.500 2.500 4.500 3.805 3.770 3.854 . 0 0 "[ . 1 ]" 1
149 1 4 U H4' 1 5 C H6 4.750 3.500 6.000 5.786 5.761 5.812 . 0 0 "[ . 1 ]" 1
150 1 4 U H6 1 5 C H6 3.500 2.500 4.500 4.574 4.566 4.585 0.085 7 0 "[ . 1 ]" 1
151 1 4 U H1' 1 5 C H5 4.750 3.500 6.000 5.209 5.139 5.252 . 0 0 "[ . 1 ]" 1
152 1 4 U H2' 1 5 C H1' 3.500 2.500 4.500 4.554 4.546 4.566 0.066 1 0 "[ . 1 ]" 1
153 1 4 U H2' 1 5 C H5' 3.500 2.500 4.500 3.925 3.845 3.983 . 0 0 "[ . 1 ]" 1
154 1 4 U O2' 1 5 C H5' 3.500 . 4.500 2.457 2.453 2.462 . 0 0 "[ . 1 ]" 1
155 1 5 C H1' 1 6 C H6 3.500 2.500 4.500 4.586 4.579 4.596 0.096 1 0 "[ . 1 ]" 1
156 1 5 C H2' 1 6 C H6 2.400 . 3.000 2.130 2.097 2.171 . 0 0 "[ . 1 ]" 1
157 1 5 C H3' 1 6 C H6 3.500 2.500 4.500 4.005 3.929 4.086 . 0 0 "[ . 1 ]" 1
158 1 5 C H4' 1 6 C H6 4.750 3.500 6.000 5.742 5.731 5.755 . 0 0 "[ . 1 ]" 1
159 1 5 C H6 1 6 C H6 3.500 2.500 4.500 4.600 4.588 4.613 0.113 11 0 "[ . 1 ]" 1
160 1 5 C H2' 1 6 C H1' 3.500 2.500 4.500 4.538 4.532 4.547 0.047 8 0 "[ . 1 ]" 1
161 1 5 C H2' 1 6 C H5' 3.500 2.500 4.500 4.068 4.034 4.094 . 0 0 "[ . 1 ]" 1
162 1 5 C O2' 1 6 C H5' 3.500 . 4.500 2.468 2.462 2.475 . 0 0 "[ . 1 ]" 1
163 1 6 C H1' 1 7 A H8 3.500 2.500 4.500 4.508 4.501 4.518 0.018 8 0 "[ . 1 ]" 1
164 1 6 C H2' 1 7 A H8 2.400 . 3.000 2.017 2.007 2.027 . 0 0 "[ . 1 ]" 1
165 1 6 C H3' 1 7 A H8 3.500 2.500 4.500 3.896 3.873 3.916 . 0 0 "[ . 1 ]" 1
166 1 6 C H4' 1 7 A H8 4.750 3.500 6.000 5.638 5.621 5.654 . 0 0 "[ . 1 ]" 1
167 1 6 C H6 1 7 A H8 3.500 2.500 4.500 4.612 4.604 4.623 0.123 9 0 "[ . 1 ]" 1
168 1 6 C H2' 1 7 A H1' 3.500 2.500 4.500 4.508 4.500 4.514 0.014 8 0 "[ . 1 ]" 1
169 1 6 C H2' 1 7 A H5' 3.500 2.500 4.500 4.001 3.984 4.010 . 0 0 "[ . 1 ]" 1
170 1 6 C O2' 1 7 A H5' 3.500 . 4.500 2.489 2.484 2.496 . 0 0 "[ . 1 ]" 1
171 1 7 A H1' 1 8 U H6 3.500 2.500 4.500 4.624 4.596 4.640 0.140 3 0 "[ . 1 ]" 1
172 1 7 A H2' 1 8 U H6 2.400 . 3.000 2.037 1.939 2.061 . 0 0 "[ . 1 ]" 1
173 1 7 A H3' 1 8 U H6 3.500 2.500 4.500 2.553 2.496 2.592 0.004 12 0 "[ . 1 ]" 1
174 1 7 A H4' 1 8 U H6 4.750 3.500 6.000 5.212 5.144 5.245 . 0 0 "[ . 1 ]" 1
175 1 7 A H8 1 8 U H6 3.500 2.500 4.500 4.262 4.189 4.502 0.002 11 0 "[ . 1 ]" 1
176 1 7 A H8 1 8 U H5 3.500 2.500 4.500 2.859 2.755 3.200 . 0 0 "[ . 1 ]" 1
177 1 7 A H1' 1 8 U H5 4.750 3.500 6.000 5.176 5.089 5.290 . 0 0 "[ . 1 ]" 1
178 1 7 A H2' 1 8 U H1' 3.500 2.500 4.500 3.934 3.832 4.011 . 0 0 "[ . 1 ]" 1
179 1 7 A H2' 1 8 U H5' 3.500 2.500 4.500 2.913 2.885 2.939 . 0 0 "[ . 1 ]" 1
180 1 7 A O2' 1 8 U H5' 3.500 . 4.500 2.472 2.462 2.490 . 0 0 "[ . 1 ]" 1
181 1 8 U H1' 1 9 U H6 3.500 2.500 4.500 4.568 4.553 4.598 0.098 12 0 "[ . 1 ]" 1
182 1 8 U H2' 1 9 U H6 2.400 . 3.000 1.994 1.972 2.019 . 0 0 "[ . 1 ]" 1
183 1 8 U H3' 1 9 U H6 3.500 2.500 4.500 3.712 3.242 3.834 . 0 0 "[ . 1 ]" 1
184 1 8 U H4' 1 9 U H6 4.750 3.500 6.000 5.764 5.604 5.811 . 0 0 "[ . 1 ]" 1
185 1 8 U H6 1 9 U H6 3.500 2.500 4.500 4.570 4.532 4.585 0.085 3 0 "[ . 1 ]" 1
186 1 8 U H2' 1 9 U H5 3.500 2.500 4.500 3.261 3.174 3.637 . 0 0 "[ . 1 ]" 1
187 1 8 U H2' 1 9 U H1' 3.500 2.500 4.500 4.421 3.858 4.528 0.028 7 0 "[ . 1 ]" 1
188 1 8 U H2' 1 9 U H5' 3.500 2.500 4.500 3.852 3.372 3.963 . 0 0 "[ . 1 ]" 1
189 1 8 U O2' 1 9 U H5' 3.500 . 4.500 2.460 2.454 2.478 . 0 0 "[ . 1 ]" 1
190 1 9 U H1' 1 10 C H6 3.500 2.500 4.500 4.395 4.151 4.554 0.054 11 0 "[ . 1 ]" 1
191 1 9 U H2' 1 10 C H6 2.400 . 3.000 2.136 1.921 2.198 . 0 0 "[ . 1 ]" 1
192 1 9 U H3' 1 10 C H6 3.500 2.500 4.500 3.921 3.679 4.025 . 0 0 "[ . 1 ]" 1
193 1 9 U H4' 1 10 C H6 4.750 3.500 6.000 5.671 5.510 5.740 . 0 0 "[ . 1 ]" 1
194 1 9 U H6 1 10 C H6 3.500 2.500 4.500 4.568 4.553 4.583 0.083 3 0 "[ . 1 ]" 1
195 1 18 G H1' 1 19 A H8 3.500 2.500 4.500 4.585 4.572 4.595 0.095 8 0 "[ . 1 ]" 1
196 1 18 G H2' 1 19 A H8 2.400 . 3.000 2.084 2.057 2.118 . 0 0 "[ . 1 ]" 1
197 1 18 G H3' 1 19 A H8 3.500 2.500 4.500 2.528 2.484 2.605 0.016 3 0 "[ . 1 ]" 1
198 1 18 G H4' 1 19 A H8 4.750 3.500 6.000 5.265 5.223 5.327 . 0 0 "[ . 1 ]" 1
199 1 18 G H8 1 19 A H8 3.500 2.500 4.500 4.504 4.496 4.511 0.011 12 0 "[ . 1 ]" 1
200 1 18 G H2' 1 19 A H1' 3.500 2.500 4.500 4.402 4.305 4.500 . 0 0 "[ . 1 ]" 1
201 1 18 G H2' 1 19 A H5' 3.500 2.500 4.500 2.751 2.666 2.831 . 0 0 "[ . 1 ]" 1
202 1 18 G O2' 1 19 A H5' 3.500 . 4.500 2.485 2.480 2.489 . 0 0 "[ . 1 ]" 1
203 1 19 A H1' 1 20 A H8 3.500 2.500 4.500 4.561 4.554 4.569 0.069 1 0 "[ . 1 ]" 1
204 1 19 A H2' 1 20 A H8 2.400 . 3.000 2.075 2.045 2.102 . 0 0 "[ . 1 ]" 1
205 1 19 A H3' 1 20 A H8 3.500 2.500 4.500 3.594 3.511 3.706 . 0 0 "[ . 1 ]" 1
206 1 19 A H4' 1 20 A H8 4.750 3.500 6.000 5.840 5.778 5.890 . 0 0 "[ . 1 ]" 1
207 1 19 A H8 1 20 A H8 3.500 2.500 4.500 4.530 4.517 4.549 0.049 8 0 "[ . 1 ]" 1
208 1 20 A H1' 1 21 C H6 3.500 2.500 4.500 4.594 4.584 4.613 0.113 11 0 "[ . 1 ]" 1
209 1 20 A H2' 1 21 C H6 2.400 . 3.000 1.914 1.877 1.942 . 0 0 "[ . 1 ]" 1
210 1 20 A H3' 1 21 C H6 3.500 2.500 4.500 3.450 3.237 3.537 . 0 0 "[ . 1 ]" 1
211 1 20 A H4' 1 21 C H6 4.750 3.500 6.000 5.502 5.420 5.552 . 0 0 "[ . 1 ]" 1
212 1 20 A H8 1 21 C H6 3.500 2.500 4.500 4.555 4.535 4.570 0.070 8 0 "[ . 1 ]" 1
213 1 20 A H8 1 21 C H5 3.500 2.500 4.500 4.051 3.989 4.099 . 0 0 "[ . 1 ]" 1
214 1 20 A H1' 1 21 C H5 4.750 3.500 6.000 5.895 5.854 5.941 . 0 0 "[ . 1 ]" 1
215 1 20 A H2' 1 21 C H5 3.500 2.500 4.500 3.428 3.372 3.524 . 0 0 "[ . 1 ]" 1
216 1 20 A H3' 1 21 C H5 3.500 2.500 4.500 4.062 3.843 4.154 . 0 0 "[ . 1 ]" 1
217 1 20 A H2' 1 21 C H1' 3.500 2.500 4.500 3.847 3.693 3.927 . 0 0 "[ . 1 ]" 1
218 1 20 A H2' 1 21 C H5' 3.500 2.500 4.500 3.736 3.604 3.804 . 0 0 "[ . 1 ]" 1
219 1 20 A O2' 1 21 C H5' 3.500 . 4.500 2.449 2.441 2.457 . 0 0 "[ . 1 ]" 1
220 1 21 C H1' 1 22 G H8 3.500 2.500 4.500 4.536 4.523 4.553 0.053 12 0 "[ . 1 ]" 1
221 1 21 C H2' 1 22 G H8 2.400 . 3.000 2.010 1.978 2.044 . 0 0 "[ . 1 ]" 1
222 1 21 C H3' 1 22 G H8 3.500 2.500 4.500 3.379 3.189 3.509 . 0 0 "[ . 1 ]" 1
223 1 21 C H4' 1 22 G H8 4.750 3.500 6.000 5.669 5.570 5.733 . 0 0 "[ . 1 ]" 1
224 1 21 C H6 1 22 G H8 3.500 2.500 4.500 4.533 4.524 4.542 0.042 8 0 "[ . 1 ]" 1
225 1 22 G H1' 1 23 G H8 3.500 2.500 4.500 4.552 4.530 4.577 0.077 12 0 "[ . 1 ]" 1
226 1 22 G H2' 1 23 G H8 2.400 . 3.000 1.959 1.942 1.989 . 0 0 "[ . 1 ]" 1
227 1 22 G H3' 1 23 G H8 3.500 2.500 4.500 3.614 3.357 3.789 . 0 0 "[ . 1 ]" 1
228 1 22 G H4' 1 23 G H8 4.750 3.500 6.000 5.704 5.629 5.753 . 0 0 "[ . 1 ]" 1
229 1 22 G H8 1 23 G H8 3.500 2.500 4.500 4.538 4.525 4.552 0.052 1 0 "[ . 1 ]" 1
230 1 22 G H2' 1 23 G H1' 3.500 2.500 4.500 4.429 4.232 4.505 0.005 11 0 "[ . 1 ]" 1
231 1 22 G H2' 1 23 G H5' 3.500 2.500 4.500 3.760 3.449 3.976 . 0 0 "[ . 1 ]" 1
232 1 22 G O2' 1 23 G H5' 3.500 . 4.500 2.461 2.453 2.475 . 0 0 "[ . 1 ]" 1
233 1 23 G H1' 1 24 A H8 3.500 2.500 4.500 4.565 4.555 4.576 0.076 3 0 "[ . 1 ]" 1
234 1 23 G H2' 1 24 A H8 2.400 . 3.000 1.945 1.918 1.961 . 0 0 "[ . 1 ]" 1
235 1 23 G H3' 1 24 A H8 3.500 2.500 4.500 3.635 3.453 3.722 . 0 0 "[ . 1 ]" 1
236 1 23 G H4' 1 24 A H8 4.750 3.500 6.000 5.711 5.671 5.727 . 0 0 "[ . 1 ]" 1
237 1 23 G H8 1 24 A H8 3.500 2.500 4.500 4.539 4.521 4.553 0.053 6 0 "[ . 1 ]" 1
238 1 23 G H2' 1 24 A H1' 3.500 2.500 4.500 4.511 4.503 4.517 0.017 9 0 "[ . 1 ]" 1
239 1 23 G H2' 1 24 A H5' 3.500 2.500 4.500 3.821 3.572 3.940 . 0 0 "[ . 1 ]" 1
240 1 23 G O2' 1 24 A H5' 3.500 . 4.500 2.460 2.458 2.464 . 0 0 "[ . 1 ]" 1
241 1 24 A H1' 1 25 U H6 3.500 2.500 4.500 4.585 4.574 4.593 0.093 5 0 "[ . 1 ]" 1
242 1 24 A H2' 1 25 U H6 2.400 . 3.000 2.010 2.000 2.021 . 0 0 "[ . 1 ]" 1
243 1 24 A H3' 1 25 U H6 3.500 2.500 4.500 3.797 3.780 3.820 . 0 0 "[ . 1 ]" 1
244 1 24 A H4' 1 25 U H6 4.750 3.500 6.000 5.769 5.754 5.778 . 0 0 "[ . 1 ]" 1
245 1 24 A H8 1 25 U H6 3.500 2.500 4.500 4.554 4.544 4.560 0.060 6 0 "[ . 1 ]" 1
246 1 24 A H8 1 25 U H5 3.500 2.500 4.500 3.520 3.494 3.547 . 0 0 "[ . 1 ]" 1
247 1 24 A H1' 1 25 U H5 4.750 3.500 6.000 5.283 5.265 5.300 . 0 0 "[ . 1 ]" 1
248 1 24 A H2' 1 25 U H1' 3.500 2.500 4.500 4.513 4.508 4.521 0.021 8 0 "[ . 1 ]" 1
249 1 24 A H2' 1 25 U H5' 3.500 2.500 4.500 4.021 4.006 4.035 . 0 0 "[ . 1 ]" 1
250 1 24 A O2' 1 25 U H5' 3.500 . 4.500 2.451 2.444 2.455 . 0 0 "[ . 1 ]" 1
251 1 25 U H1' 1 26 C H6 3.500 2.500 4.500 4.518 4.514 4.521 0.021 5 0 "[ . 1 ]" 1
252 1 25 U H2' 1 26 C H6 2.400 . 3.000 2.176 2.160 2.192 . 0 0 "[ . 1 ]" 1
253 1 25 U H3' 1 26 C H6 3.500 2.500 4.500 3.939 3.914 3.964 . 0 0 "[ . 1 ]" 1
254 1 25 U H4' 1 26 C H6 4.750 3.500 6.000 5.770 5.749 5.785 . 0 0 "[ . 1 ]" 1
255 1 25 U H6 1 26 C H6 3.500 2.500 4.500 4.545 4.541 4.551 0.051 2 0 "[ . 1 ]" 1
256 1 26 C H1' 1 27 C H6 3.500 2.500 4.500 4.543 4.539 4.548 0.048 12 0 "[ . 1 ]" 1
257 1 26 C H2' 1 27 C H6 2.400 . 3.000 2.088 2.075 2.105 . 0 0 "[ . 1 ]" 1
258 1 26 C H3' 1 27 C H6 3.500 2.500 4.500 3.873 3.826 3.919 . 0 0 "[ . 1 ]" 1
259 1 26 C H4' 1 27 C H6 4.750 3.500 6.000 5.651 5.604 5.700 . 0 0 "[ . 1 ]" 1
260 1 26 C H6 1 27 C H6 3.500 2.500 4.500 4.513 4.508 4.519 0.019 2 0 "[ . 1 ]" 1
261 1 26 C H2' 1 27 C H1' 3.500 2.500 4.500 4.534 4.530 4.541 0.041 12 0 "[ . 1 ]" 1
262 1 26 C H2' 1 27 C H5' 3.500 2.500 4.500 4.095 4.067 4.122 . 0 0 "[ . 1 ]" 1
263 1 26 C O2' 1 27 C H5' 3.500 . 4.500 2.491 2.488 2.497 . 0 0 "[ . 1 ]" 1
264 1 3 A H1' 1 3 A H2 3.500 2.500 4.500 4.531 4.509 4.568 0.068 12 0 "[ . 1 ]" 1
265 1 3 A H2 1 4 U H1' 3.500 2.500 4.500 4.513 4.505 4.518 0.018 7 0 "[ . 1 ]" 1
266 1 3 A H2 1 26 C H1' 3.500 2.500 4.500 4.158 3.874 4.508 0.008 3 0 "[ . 1 ]" 1
267 1 7 A H1' 1 7 A H2 3.500 2.500 4.500 4.635 4.627 4.643 0.143 9 0 "[ . 1 ]" 1
268 1 7 A H2 1 8 U H1' 3.500 2.500 4.500 3.753 3.385 3.988 . 0 0 "[ . 1 ]" 1
269 1 7 A H2 1 22 G H1' 3.500 2.500 4.500 2.604 2.497 2.701 0.003 6 0 "[ . 1 ]" 1
270 1 7 A H2 1 21 C H1' 4.750 3.500 6.000 5.712 5.637 5.914 . 0 0 "[ . 1 ]" 1
271 1 19 A H1' 1 19 A H2 3.500 2.500 4.500 4.528 4.522 4.534 0.034 9 0 "[ . 1 ]" 1
272 1 19 A H2 1 20 A H1' 3.500 2.500 4.500 4.080 3.711 4.353 . 0 0 "[ . 1 ]" 1
273 1 10 C H1' 1 19 A H2 3.500 2.500 4.500 4.471 4.364 4.507 0.007 11 0 "[ . 1 ]" 1
274 1 20 A H1' 1 20 A H2 3.500 2.500 4.500 4.491 4.480 4.510 0.010 11 0 "[ . 1 ]" 1
275 1 20 A H2 1 21 C H1' 3.500 2.500 4.500 3.966 3.726 4.143 . 0 0 "[ . 1 ]" 1
276 1 9 U H1' 1 20 A H2 3.500 2.500 4.500 3.954 3.331 4.255 . 0 0 "[ . 1 ]" 1
277 1 24 A H1' 1 24 A H2 3.500 2.500 4.500 4.512 4.509 4.516 0.016 6 0 "[ . 1 ]" 1
278 1 24 A H2 1 25 U H1' 3.500 2.500 4.500 4.520 4.514 4.525 0.025 11 0 "[ . 1 ]" 1
279 1 5 C H1' 1 24 A H2 3.500 2.500 4.500 4.457 4.288 4.507 0.007 3 0 "[ . 1 ]" 1
280 1 10 C H1' 1 11 G H8 3.500 2.500 4.500 4.568 4.559 4.575 0.075 7 0 "[ . 1 ]" 1
281 1 10 C H2' 1 11 G H8 2.400 . 3.000 2.075 2.037 2.097 . 0 0 "[ . 1 ]" 1
282 1 10 C H3' 1 11 G H8 3.500 2.500 4.500 3.919 3.813 3.968 . 0 0 "[ . 1 ]" 1
283 1 10 C H6 1 11 G H8 3.500 2.500 4.500 4.519 4.511 4.529 0.029 3 0 "[ . 1 ]" 1
284 1 10 C H2' 1 11 G H1' 3.500 2.500 4.500 4.549 4.537 4.556 0.056 1 0 "[ . 1 ]" 1
285 1 17 U H1' 1 18 G H8 3.500 2.500 4.500 3.813 3.249 4.201 . 0 0 "[ . 1 ]" 1
286 1 17 U H4' 1 18 G H8 3.500 2.500 4.500 3.695 3.255 3.991 . 0 0 "[ . 1 ]" 1
287 1 16 G H1' 1 18 G H8 4.750 3.500 6.000 3.748 3.634 3.869 . 0 0 "[ . 1 ]" 1
288 1 16 G H1' 1 18 G H5' 3.500 2.500 4.500 3.071 2.964 3.137 . 0 0 "[ . 1 ]" 1
289 1 16 G H2' 1 18 G H8 4.750 3.500 6.000 3.709 3.644 3.724 . 0 0 "[ . 1 ]" 1
290 1 16 G H3' 1 18 G H8 4.750 3.500 6.000 6.002 5.933 6.015 0.015 12 0 "[ . 1 ]" 1
291 1 16 G H8 1 18 G H8 4.750 3.500 6.000 4.711 4.456 4.896 . 0 0 "[ . 1 ]" 1
292 1 16 G H8 1 18 G H4' 3.750 2.500 6.000 6.010 6.003 6.014 0.014 7 0 "[ . 1 ]" 1
293 1 16 G H8 1 18 G H1' 4.750 3.500 6.000 4.388 4.295 4.449 . 0 0 "[ . 1 ]" 1
294 1 11 G H1' 1 11 G H8 3.500 2.500 4.500 3.874 3.869 3.879 . 0 0 "[ . 1 ]" 1
295 1 11 G H2' 1 11 G H8 3.500 2.500 4.500 3.212 3.146 3.258 . 0 0 "[ . 1 ]" 1
296 1 11 G H3' 1 11 G H8 3.500 2.500 4.500 2.907 2.866 2.979 . 0 0 "[ . 1 ]" 1
297 1 11 G H4' 1 11 G H8 3.500 2.500 4.500 4.537 4.523 4.550 0.050 2 0 "[ . 1 ]" 1
298 1 11 G H5' 1 11 G H8 3.500 2.500 4.500 4.350 4.223 4.507 0.007 11 0 "[ . 1 ]" 1
299 1 11 G H1' 1 11 G H5' 3.500 2.500 5.000 4.593 4.536 4.657 . 0 0 "[ . 1 ]" 1
300 1 12 A H1' 1 12 A H8 3.500 2.500 4.500 3.854 3.851 3.857 . 0 0 "[ . 1 ]" 1
301 1 12 A H2' 1 12 A H8 3.500 2.500 4.500 3.436 3.404 3.463 . 0 0 "[ . 1 ]" 1
302 1 12 A H3' 1 12 A H8 3.500 2.500 4.500 3.488 3.392 3.560 . 0 0 "[ . 1 ]" 1
303 1 12 A H4' 1 12 A H8 4.750 3.500 6.000 4.607 4.582 4.632 . 0 0 "[ . 1 ]" 1
304 1 12 A H5' 1 12 A H8 3.500 2.500 4.500 4.505 4.493 4.514 0.014 5 0 "[ . 1 ]" 1
305 1 12 A H1' 1 12 A H5' 3.500 2.500 5.000 4.630 4.594 4.660 . 0 0 "[ . 1 ]" 1
306 1 13 U H1' 1 13 U H6 3.500 2.500 4.500 3.720 3.712 3.724 . 0 0 "[ . 1 ]" 1
307 1 13 U H2' 1 13 U H6 3.500 2.500 4.500 2.523 2.492 2.600 0.008 9 0 "[ . 1 ]" 1
308 1 13 U H3' 1 13 U H6 3.500 2.500 4.500 3.855 3.820 3.887 . 0 0 "[ . 1 ]" 1
309 1 13 U H2' 1 13 U H5 3.500 2.500 4.500 4.463 4.437 4.505 0.005 3 0 "[ . 1 ]" 1
310 1 13 U H4' 1 13 U H6 3.500 2.500 4.500 4.433 4.396 4.462 . 0 0 "[ . 1 ]" 1
311 1 13 U H1' 1 13 U H5' 3.500 2.500 5.000 4.758 4.744 4.769 . 0 0 "[ . 1 ]" 1
312 1 14 U H1' 1 14 U H6 3.500 2.500 4.500 3.731 3.729 3.736 . 0 0 "[ . 1 ]" 1
313 1 14 U H2' 1 14 U H6 3.500 2.500 4.500 2.479 2.450 2.486 0.050 10 0 "[ . 1 ]" 1
314 1 14 U H3' 1 14 U H6 3.500 2.500 4.500 2.496 2.481 2.558 0.019 3 0 "[ . 1 ]" 1
315 1 14 U H2' 1 14 U H5 3.500 2.500 4.500 4.400 4.388 4.406 . 0 0 "[ . 1 ]" 1
316 1 14 U H4' 1 14 U H6 3.500 2.500 4.500 3.968 3.958 4.031 . 0 0 "[ . 1 ]" 1
317 1 14 U H1' 1 14 U H5' 3.500 2.500 5.000 4.270 4.169 4.304 . 0 0 "[ . 1 ]" 1
318 1 15 A H1' 1 15 A H8 3.500 2.500 4.500 3.932 3.931 3.934 . 0 0 "[ . 1 ]" 1
319 1 15 A H2' 1 15 A H8 3.500 2.500 4.500 2.446 2.441 2.450 0.059 10 0 "[ . 1 ]" 1
320 1 15 A H3' 1 15 A H8 3.500 2.500 4.500 4.141 4.122 4.154 . 0 0 "[ . 1 ]" 1
321 1 15 A H5' 1 15 A H8 4.750 3.500 6.000 4.506 4.455 4.547 . 0 0 "[ . 1 ]" 1
322 1 15 A H1' 1 15 A H5' 3.500 2.500 5.000 4.860 4.855 4.868 . 0 0 "[ . 1 ]" 1
323 1 15 A H5'' 1 15 A H8 4.750 3.500 6.000 3.489 3.485 3.496 0.015 8 0 "[ . 1 ]" 1
324 1 16 G H1' 1 16 G H8 2.400 . 3.000 2.682 2.676 2.690 . 0 0 "[ . 1 ]" 1
325 1 16 G H2' 1 16 G H8 3.500 2.500 4.500 4.422 4.407 4.433 . 0 0 "[ . 1 ]" 1
326 1 16 G H3' 1 16 G H8 4.750 3.500 6.000 5.473 5.445 5.514 . 0 0 "[ . 1 ]" 1
327 1 16 G H4' 1 16 G H8 4.750 3.500 6.000 5.544 5.533 5.567 . 0 0 "[ . 1 ]" 1
328 1 16 G H1' 1 16 G H5' 3.500 2.500 5.000 4.928 4.912 4.938 . 0 0 "[ . 1 ]" 1
329 1 17 U H1' 1 17 U H6 3.500 2.500 4.500 3.711 3.709 3.713 . 0 0 "[ . 1 ]" 1
330 1 17 U H2' 1 17 U H6 3.500 2.500 4.500 2.608 2.592 2.623 . 0 0 "[ . 1 ]" 1
331 1 17 U H3' 1 17 U H6 3.500 2.500 4.500 4.008 3.940 4.052 . 0 0 "[ . 1 ]" 1
332 1 17 U H4' 1 17 U H6 3.500 2.500 4.500 4.344 4.307 4.378 . 0 0 "[ . 1 ]" 1
333 1 17 U H5' 1 17 U H6 3.500 2.500 4.500 4.131 4.068 4.184 . 0 0 "[ . 1 ]" 1
334 1 17 U H5'' 1 17 U H6 3.500 2.500 4.500 2.514 2.491 2.625 0.009 1 0 "[ . 1 ]" 1
335 1 17 U H2' 1 17 U H5 3.500 2.500 4.500 4.509 4.503 4.515 0.015 4 0 "[ . 1 ]" 1
336 1 11 G H1' 1 12 A H8 3.500 2.500 4.500 4.535 4.521 4.546 0.046 11 0 "[ . 1 ]" 1
337 1 11 G H2' 1 12 A H8 2.400 . 3.000 2.060 2.042 2.083 . 0 0 "[ . 1 ]" 1
338 1 11 G H3' 1 12 A H8 3.500 2.500 4.500 3.926 3.881 3.968 . 0 0 "[ . 1 ]" 1
339 1 11 G H8 1 12 A H8 3.500 2.500 4.500 4.532 4.525 4.546 0.046 5 0 "[ . 1 ]" 1
340 1 11 G H2' 1 12 A H1' 3.500 2.500 4.500 4.511 4.503 4.516 0.016 1 0 "[ . 1 ]" 1
341 1 12 A H1' 1 13 U H6 4.750 3.500 6.000 5.128 5.064 5.190 . 0 0 "[ . 1 ]" 1
342 1 12 A H2' 1 13 U H6 2.400 . 3.400 2.460 2.406 2.502 . 0 0 "[ . 1 ]" 1
343 1 12 A H3' 1 13 U H6 3.500 2.500 4.500 3.806 3.754 3.860 . 0 0 "[ . 1 ]" 1
344 1 12 A H4' 1 13 U H6 4.750 3.500 6.000 5.899 5.831 5.942 . 0 0 "[ . 1 ]" 1
345 1 12 A H8 1 13 U H6 4.750 3.500 6.000 5.460 5.424 5.532 . 0 0 "[ . 1 ]" 1
346 1 12 A H8 1 13 U H5 3.500 2.500 4.500 4.506 4.495 4.510 0.010 5 0 "[ . 1 ]" 1
347 1 12 A H2' 1 13 U H1' 3.500 2.500 4.500 4.502 4.466 4.509 0.009 10 0 "[ . 1 ]" 1
348 1 13 U H1' 1 14 U H6 4.750 3.500 7.000 6.040 5.529 6.264 . 0 0 "[ . 1 ]" 1
349 1 13 U H4' 1 15 A H8 4.750 3.500 6.000 3.505 3.491 3.601 0.009 9 0 "[ . 1 ]" 1
350 1 13 U H1' 1 15 A H8 4.750 3.500 6.000 3.989 3.514 4.327 . 0 0 "[ . 1 ]" 1
351 1 14 U H1' 1 15 A H8 4.750 3.500 6.000 5.937 5.895 5.980 . 0 0 "[ . 1 ]" 1
352 1 14 U H2' 1 15 A H8 3.500 2.500 4.500 3.166 3.136 3.202 . 0 0 "[ . 1 ]" 1
353 1 14 U H3' 1 15 A H8 4.750 3.500 6.000 3.757 3.724 3.795 . 0 0 "[ . 1 ]" 1
354 1 14 U H2' 1 15 A H1' 3.500 2.500 4.500 3.570 3.495 3.611 . 0 0 "[ . 1 ]" 1
355 1 15 A H2' 1 16 G H8 4.750 3.500 6.000 3.478 3.471 3.488 0.029 3 0 "[ . 1 ]" 1
356 1 15 A H3' 1 16 G H8 4.750 3.500 6.000 3.935 3.914 3.952 . 0 0 "[ . 1 ]" 1
357 1 15 A H5' 1 16 G H8 4.750 4.000 6.000 6.028 6.022 6.039 0.039 3 0 "[ . 1 ]" 1
358 1 15 A H1' 1 16 G H5' 3.500 2.500 4.500 2.486 2.481 2.489 0.019 7 0 "[ . 1 ]" 1
359 1 15 A H1' 1 16 G H5'' 3.500 2.500 4.500 4.091 4.081 4.097 . 0 0 "[ . 1 ]" 1
360 1 15 A H1' 1 16 G H4' 4.750 3.500 6.000 4.074 4.042 4.128 . 0 0 "[ . 1 ]" 1
361 1 16 G H8 1 17 U H1' 4.750 3.500 6.000 5.955 5.794 6.009 0.009 7 0 "[ . 1 ]" 1
362 1 12 A H1' 1 12 A H2 3.500 3.000 4.500 4.528 4.520 4.530 0.030 12 0 "[ . 1 ]" 1
363 1 12 A H2 1 16 G H1' 3.500 3.500 5.500 5.508 5.445 5.522 0.022 11 0 "[ . 1 ]" 1
364 1 12 A H2 1 15 A H3' 3.500 3.000 4.500 3.067 2.986 3.209 0.014 9 0 "[ . 1 ]" 1
365 1 12 A H2 1 15 A H2' 3.500 3.500 4.500 3.489 3.480 3.505 0.020 10 0 "[ . 1 ]" 1
366 1 12 A H2 1 15 A H5' 3.500 3.000 5.500 4.515 4.439 4.623 . 0 0 "[ . 1 ]" 1
367 1 12 A H2 1 13 U H1' 3.500 3.000 4.500 4.515 4.509 4.520 0.020 7 0 "[ . 1 ]" 1
368 1 15 A H1' 1 15 A H2 3.500 2.500 4.500 4.423 4.417 4.430 . 0 0 "[ . 1 ]" 1
369 1 14 U H1' 1 15 A H2 3.500 2.500 4.500 4.519 4.513 4.526 0.026 10 0 "[ . 1 ]" 1
370 1 15 A H2 1 16 G H4' 3.500 2.500 4.500 4.508 4.493 4.517 0.017 3 0 "[ . 1 ]" 1
371 1 1 G H1 1 2 G H1 3.750 2.500 5.000 3.674 3.472 3.965 . 0 0 "[ . 1 ]" 1
372 1 2 G H1 1 25 U H3 3.750 2.500 5.000 4.288 4.075 4.658 . 0 0 "[ . 1 ]" 1
373 1 4 U H3 1 25 U H3 3.750 2.500 5.000 2.894 2.578 3.122 . 0 0 "[ . 1 ]" 1
374 1 4 U H3 1 23 G H1 3.750 2.500 5.000 3.423 3.328 3.659 . 0 0 "[ . 1 ]" 1
375 1 22 G H1 1 23 G H1 3.750 2.500 5.000 3.285 3.031 3.663 . 0 0 "[ . 1 ]" 1
376 1 9 U H3 1 18 G H1 3.750 2.500 5.000 4.324 3.528 4.591 . 0 0 "[ . 1 ]" 1
377 1 3 A H2 1 25 U H3 2.400 . 3.000 2.523 2.471 2.666 . 0 0 "[ . 1 ]" 1
378 1 4 U H3 1 24 A H2 2.400 . 3.000 2.989 2.934 3.009 0.009 4 0 "[ . 1 ]" 1
379 1 9 U H3 1 19 A H2 2.400 . 3.000 2.542 2.460 2.718 . 0 0 "[ . 1 ]" 1
380 1 1 G H1 1 2 G H1' 4.750 3.500 6.000 5.134 4.764 5.634 . 0 0 "[ . 1 ]" 1
381 1 2 G H1 1 3 A H1' 4.750 3.500 6.000 5.305 4.973 5.651 . 0 0 "[ . 1 ]" 1
382 1 4 U H3 1 5 C H1' 4.750 3.500 6.000 5.699 5.613 5.850 . 0 0 "[ . 1 ]" 1
383 1 8 U H3 1 9 U H1' 4.750 3.500 6.000 5.526 4.755 5.705 . 0 0 "[ . 1 ]" 1
384 1 9 U H3 1 10 C H1' 4.750 3.500 6.000 5.940 5.488 6.013 0.013 9 0 "[ . 1 ]" 1
385 1 18 G H1 1 19 A H1' 4.750 3.500 6.000 5.284 5.028 5.455 . 0 0 "[ . 1 ]" 1
386 1 22 G H1 1 23 G H1' 4.750 3.500 6.000 5.855 5.448 5.982 . 0 0 "[ . 1 ]" 1
387 1 23 G H1 1 24 A H1' 4.750 3.500 6.000 5.977 5.937 6.008 0.008 7 0 "[ . 1 ]" 1
388 1 25 U H3 1 26 C H1' 4.750 3.500 6.000 5.955 5.871 6.004 0.004 12 0 "[ . 1 ]" 1
389 1 11 G H1' 1 18 G H1 4.750 3.500 6.000 5.722 5.553 5.805 . 0 0 "[ . 1 ]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 7
_Distance_constraint_stats_list.Viol_count 22
_Distance_constraint_stats_list.Viol_total 1.476
_Distance_constraint_stats_list.Viol_max 0.012
_Distance_constraint_stats_list.Viol_rms 0.0028
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0015
_Distance_constraint_stats_list.Viol_average_violations_only 0.0056
_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 0.030 0.008 9 0 "[ . 1 ]"
1 3 A 0.000 0.000 . 0 "[ . 1 ]"
1 4 U 0.044 0.012 8 0 "[ . 1 ]"
1 5 C 0.049 0.009 9 0 "[ . 1 ]"
1 17 U 0.072 0.012 8 0 "[ . 1 ]"
1 18 G 0.021 0.007 3 0 "[ . 1 ]"
1 19 A 0.000 0.000 . 0 "[ . 1 ]"
1 20 A 0.030 0.008 9 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 2 G P 1 19 A P 11.000 9.500 15.000 11.251 10.019 12.193 . 0 0 "[ . 1 ]" 2
2 1 2 G P 1 20 A P 11.000 9.500 15.000 9.608 9.492 9.823 0.008 9 0 "[ . 1 ]" 2
3 1 3 A P 1 18 G P 11.000 9.500 15.000 10.112 9.570 10.678 . 0 0 "[ . 1 ]" 2
4 1 3 A P 1 19 A P 11.000 9.500 15.000 11.062 10.008 11.874 . 0 0 "[ . 1 ]" 2
5 1 4 U P 1 18 G P 11.000 9.500 15.000 9.548 9.493 9.824 0.007 3 0 "[ . 1 ]" 2
6 1 4 U P 1 17 U P 11.000 9.500 15.000 9.819 9.488 10.802 0.012 8 0 "[ . 1 ]" 2
7 1 5 C P 1 17 U P 11.000 9.500 15.000 9.549 9.491 9.805 0.009 9 0 "[ . 1 ]" 2
stop_
save_
save_distance_constraint_statistics_3
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 3
_Distance_constraint_stats_list.Constraint_count 7
_Distance_constraint_stats_list.Viol_count 12
_Distance_constraint_stats_list.Viol_total 0.846
_Distance_constraint_stats_list.Viol_max 0.012
_Distance_constraint_stats_list.Viol_rms 0.0023
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0008
_Distance_constraint_stats_list.Viol_average_violations_only 0.0059
_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 11 G 0.070 0.012 9 0 "[ . 1 ]"
1 12 A 0.070 0.012 9 0 "[ . 1 ]"
1 13 U 0.000 0.000 . 0 "[ . 1 ]"
1 14 U 0.000 0.000 . 0 "[ . 1 ]"
1 15 A 0.000 0.000 . 0 "[ . 1 ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 11 G O6 1 12 A N6 3.500 3.500 6.000 3.494 3.488 3.499 0.012 9 0 "[ . 1 ]" 3
2 1 11 G N7 1 12 A N7 3.500 3.500 6.000 4.020 3.989 4.042 . 0 0 "[ . 1 ]" 3
3 1 11 G N1 1 12 A N1 3.500 3.500 6.000 3.931 3.859 3.978 . 0 0 "[ . 1 ]" 3
4 1 11 G C2 1 12 A C2 3.500 3.500 6.000 4.262 4.167 4.323 . 0 0 "[ . 1 ]" 3
5 1 11 G C4 1 12 A C4 3.500 3.500 6.000 4.331 4.260 4.382 . 0 0 "[ . 1 ]" 3
6 1 12 A C6 1 13 U N3 3.500 3.500 6.000 3.944 3.806 4.124 . 0 0 "[ . 1 ]" 3
7 1 14 U O4 1 15 A N6 3.500 3.500 6.000 4.382 4.123 4.495 . 0 0 "[ . 1 ]" 3
stop_
save_