NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
523828 |
2lc8   |
17601 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2lc8
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 2
_Distance_constraint_stats_list.Viol_count 2
_Distance_constraint_stats_list.Viol_total 0.181
_Distance_constraint_stats_list.Viol_max 0.010
_Distance_constraint_stats_list.Viol_rms 0.0029
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0009
_Distance_constraint_stats_list.Viol_average_violations_only 0.0091
_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 17 A 0.018 0.010 1 0 "[ . 1]"
1 52 G 0.000 0.000 . 0 "[ . 1]"
1 53 G 0.018 0.010 1 0 "[ . 1]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 17 A H2 1 52 G H8 . 5.500 6.500 6.443 6.350 6.487 . 0 0 "[ . 1]" 1
2 1 17 A H2 1 53 G H8 . 5.500 6.500 5.786 5.490 6.457 0.010 1 0 "[ . 1]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 168
_Distance_constraint_stats_list.Viol_count 497
_Distance_constraint_stats_list.Viol_total 16.239
_Distance_constraint_stats_list.Viol_max 0.036
_Distance_constraint_stats_list.Viol_rms 0.0024
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0010
_Distance_constraint_stats_list.Viol_average_violations_only 0.0033
_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 G 0.067 0.008 6 0 "[ . 1]"
1 5 G 0.069 0.006 8 0 "[ . 1]"
1 6 U 0.053 0.010 9 0 "[ . 1]"
1 7 C 0.018 0.005 9 0 "[ . 1]"
1 8 A 0.004 0.002 9 0 "[ . 1]"
1 9 G 0.068 0.008 5 0 "[ . 1]"
1 10 G 0.070 0.008 2 0 "[ . 1]"
1 11 G 0.067 0.007 9 0 "[ . 1]"
1 12 U 0.007 0.001 8 0 "[ . 1]"
1 13 C 0.009 0.002 1 0 "[ . 1]"
1 14 A 0.013 0.003 1 0 "[ . 1]"
1 15 G 0.023 0.003 10 0 "[ . 1]"
1 16 G 0.084 0.009 7 0 "[ . 1]"
1 17 A 0.002 0.001 4 0 "[ . 1]"
1 18 G 0.066 0.007 2 0 "[ . 1]"
1 19 C 0.001 0.001 6 0 "[ . 1]"
1 20 C 0.001 0.000 3 0 "[ . 1]"
1 21 C 0.002 0.001 10 0 "[ . 1]"
1 22 C 0.002 0.001 2 0 "[ . 1]"
1 23 C 0.009 0.002 2 0 "[ . 1]"
1 24 C 0.030 0.004 3 0 "[ . 1]"
1 25 C 0.003 0.002 10 0 "[ . 1]"
1 26 C 0.007 0.002 1 0 "[ . 1]"
1 27 U 0.018 0.002 5 0 "[ . 1]"
1 28 G 0.047 0.013 10 0 "[ . 1]"
1 29 A 0.046 0.008 9 0 "[ . 1]"
1 30 A 0.088 0.017 6 0 "[ . 1]"
1 31 C 0.030 0.007 5 0 "[ . 1]"
1 32 C 0.012 0.003 5 0 "[ . 1]"
1 33 C 0.003 0.002 9 0 "[ . 1]"
1 34 A 0.016 0.008 9 0 "[ . 1]"
1 35 G 0.067 0.007 4 0 "[ . 1]"
1 36 G 0.069 0.007 4 0 "[ . 1]"
1 37 A 0.001 0.001 4 0 "[ . 1]"
1 38 U 0.001 0.001 9 0 "[ . 1]"
1 39 A 0.002 0.001 7 0 "[ . 1]"
1 40 A 0.000 0.000 9 0 "[ . 1]"
1 41 C 0.002 0.001 7 0 "[ . 1]"
1 42 C 0.000 0.000 4 0 "[ . 1]"
1 43 C 0.000 0.000 . 0 "[ . 1]"
1 44 U 0.000 0.000 3 0 "[ . 1]"
1 45 C 0.012 0.012 2 0 "[ . 1]"
1 46 A 0.015 0.013 3 0 "[ . 1]"
1 47 A 0.006 0.005 3 0 "[ . 1]"
1 48 A 0.003 0.003 7 0 "[ . 1]"
1 49 G 0.096 0.036 7 0 "[ . 1]"
1 50 U 0.000 0.000 . 0 "[ . 1]"
1 51 C 0.000 0.000 8 0 "[ . 1]"
1 52 G 0.070 0.007 10 0 "[ . 1]"
1 53 G 0.069 0.008 3 0 "[ . 1]"
1 54 G 0.073 0.008 9 0 "[ . 1]"
1 55 G 0.066 0.008 5 0 "[ . 1]"
1 56 G 0.066 0.008 7 0 "[ . 1]"
1 57 G 0.067 0.008 4 0 "[ . 1]"
1 58 C 0.000 0.000 . 0 "[ . 1]"
1 59 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 4 G C4' 1 4 G O4' . . 1.460 1.467 1.466 1.468 0.008 6 0 "[ . 1]" 2
2 1 5 G C4' 1 5 G O4' . . 1.460 1.464 1.462 1.466 0.006 8 0 "[ . 1]" 2
3 1 6 U C4' 1 6 U O4' . . 1.460 1.438 1.433 1.440 0.007 9 0 "[ . 1]" 2
4 1 7 C C4' 1 7 C O4' . . 1.460 1.440 1.437 1.451 0.003 9 0 "[ . 1]" 2
5 1 8 A C4' 1 8 A O4' . . 1.460 1.446 1.438 1.460 0.002 9 0 "[ . 1]" 2
6 1 9 G C4' 1 9 G O4' . . 1.460 1.466 1.465 1.468 0.008 5 0 "[ . 1]" 2
7 1 10 G C4' 1 10 G O4' . . 1.460 1.466 1.465 1.468 0.008 2 0 "[ . 1]" 2
8 1 11 G C4' 1 11 G O4' . . 1.460 1.466 1.465 1.467 0.007 9 0 "[ . 1]" 2
9 1 12 U C4' 1 12 U O4' . . 1.460 1.441 1.439 1.454 0.001 8 0 "[ . 1]" 2
10 1 13 C C4' 1 13 C O4' . . 1.460 1.445 1.439 1.460 0.001 3 0 "[ . 1]" 2
11 1 14 A C4' 1 14 A O4' . . 1.460 1.444 1.438 1.461 0.002 5 0 "[ . 1]" 2
12 1 15 G C4' 1 15 G O4' . . 1.460 1.462 1.461 1.463 0.003 10 0 "[ . 1]" 2
13 1 16 G C4' 1 16 G O4' . . 1.460 1.467 1.464 1.469 0.009 7 0 "[ . 1]" 2
14 1 17 A C4' 1 17 A O4' . . 1.460 1.457 1.445 1.461 0.001 4 0 "[ . 1]" 2
15 1 18 G C4' 1 18 G O4' . . 1.460 1.467 1.466 1.467 0.007 2 0 "[ . 1]" 2
16 1 19 C C4' 1 19 C O4' . . 1.460 1.453 1.439 1.460 0.001 6 0 "[ . 1]" 2
17 1 20 C C4' 1 20 C O4' . . 1.460 1.451 1.441 1.459 . 0 0 "[ . 1]" 2
18 1 21 C C4' 1 21 C O4' . . 1.460 1.449 1.439 1.460 0.001 10 0 "[ . 1]" 2
19 1 22 C C4' 1 22 C O4' . . 1.460 1.447 1.439 1.458 0.001 2 0 "[ . 1]" 2
20 1 23 C C4' 1 23 C O4' . . 1.460 1.440 1.439 1.441 0.001 4 0 "[ . 1]" 2
21 1 24 C C4' 1 24 C O4' . . 1.460 1.439 1.438 1.440 0.002 3 0 "[ . 1]" 2
22 1 25 C C4' 1 25 C O4' . . 1.460 1.442 1.440 1.447 0.000 1 0 "[ . 1]" 2
23 1 26 C C4' 1 26 C O4' . . 1.460 1.442 1.438 1.449 0.002 10 0 "[ . 1]" 2
24 1 27 U C4' 1 27 U O4' . . 1.460 1.441 1.438 1.461 0.002 5 0 "[ . 1]" 2
25 1 28 G C4' 1 28 G O4' . . 1.460 1.452 1.436 1.465 0.005 7 0 "[ . 1]" 2
26 1 29 A C4' 1 29 A O4' . . 1.460 1.440 1.436 1.445 0.004 2 0 "[ . 1]" 2
27 1 30 A C4' 1 30 A O4' . . 1.460 1.441 1.437 1.460 0.003 1 0 "[ . 1]" 2
28 1 31 C C4' 1 31 C O4' . . 1.460 1.439 1.435 1.444 0.005 5 0 "[ . 1]" 2
29 1 32 C C4' 1 32 C O4' . . 1.460 1.444 1.438 1.460 0.002 10 0 "[ . 1]" 2
30 1 33 C C4' 1 33 C O4' . . 1.460 1.451 1.441 1.461 0.001 9 0 "[ . 1]" 2
31 1 34 A C4' 1 34 A O4' . . 1.460 1.446 1.439 1.461 0.001 6 0 "[ . 1]" 2
32 1 35 G C4' 1 35 G O4' . . 1.460 1.466 1.463 1.467 0.007 4 0 "[ . 1]" 2
33 1 36 G C4' 1 36 G O4' . . 1.460 1.466 1.465 1.467 0.007 4 0 "[ . 1]" 2
34 1 37 A C4' 1 37 A O4' . . 1.460 1.456 1.443 1.460 0.000 7 0 "[ . 1]" 2
35 1 38 U C4' 1 38 U O4' . . 1.460 1.449 1.439 1.460 0.001 9 0 "[ . 1]" 2
36 1 39 A C4' 1 39 A O4' . . 1.460 1.442 1.439 1.449 0.001 3 0 "[ . 1]" 2
37 1 40 A C4' 1 40 A O4' . . 1.460 1.443 1.440 1.453 . 0 0 "[ . 1]" 2
38 1 41 C C4' 1 41 C O4' . . 1.460 1.447 1.439 1.458 0.001 2 0 "[ . 1]" 2
39 1 42 C C4' 1 42 C O4' . . 1.460 1.449 1.440 1.459 0.000 4 0 "[ . 1]" 2
40 1 43 C C4' 1 43 C O4' . . 1.460 1.450 1.441 1.459 . 0 0 "[ . 1]" 2
41 1 44 U C4' 1 44 U O4' . . 1.460 1.450 1.441 1.460 0.000 3 0 "[ . 1]" 2
42 1 45 C C4' 1 45 C O4' . . 1.460 1.449 1.428 1.457 0.012 2 0 "[ . 1]" 2
43 1 46 A C4' 1 46 A O4' . . 1.460 1.448 1.439 1.473 0.013 3 0 "[ . 1]" 2
44 1 47 A C4' 1 47 A O4' . . 1.460 1.447 1.439 1.457 0.001 2 0 "[ . 1]" 2
45 1 48 A C4' 1 48 A O4' . . 1.460 1.447 1.437 1.457 0.003 7 0 "[ . 1]" 2
46 1 49 G C4' 1 49 G O4' . . 1.460 1.470 1.466 1.496 0.036 7 0 "[ . 1]" 2
47 1 50 U C4' 1 50 U O4' . . 1.460 1.449 1.442 1.458 . 0 0 "[ . 1]" 2
48 1 51 C C4' 1 51 C O4' . . 1.460 1.452 1.441 1.460 0.000 8 0 "[ . 1]" 2
49 1 52 G C4' 1 52 G O4' . . 1.460 1.467 1.466 1.467 0.007 10 0 "[ . 1]" 2
50 1 53 G C4' 1 53 G O4' . . 1.460 1.467 1.466 1.468 0.008 3 0 "[ . 1]" 2
51 1 54 G C4' 1 54 G O4' . . 1.460 1.467 1.466 1.468 0.008 9 0 "[ . 1]" 2
52 1 55 G C4' 1 55 G O4' . . 1.460 1.467 1.466 1.468 0.008 5 0 "[ . 1]" 2
53 1 56 G C4' 1 56 G O4' . . 1.460 1.467 1.466 1.468 0.008 7 0 "[ . 1]" 2
54 1 57 G C4' 1 57 G O4' . . 1.460 1.467 1.465 1.468 0.008 4 0 "[ . 1]" 2
55 1 58 C C4' 1 58 C O4' . . 1.460 1.450 1.444 1.456 . 0 0 "[ . 1]" 2
56 1 59 A C4' 1 59 A O4' . . 1.460 1.449 1.441 1.458 . 0 0 "[ . 1]" 2
57 1 4 G C5' 1 4 G O4' . 2.320 2.420 2.387 2.363 2.420 . 0 0 "[ . 1]" 2
58 1 5 G C5' 1 5 G O4' . 2.320 2.420 2.423 2.421 2.425 0.005 7 0 "[ . 1]" 2
59 1 6 U C5' 1 6 U O4' . 2.320 2.420 2.423 2.420 2.430 0.010 9 0 "[ . 1]" 2
60 1 7 C C5' 1 7 C O4' . 2.320 2.420 2.418 2.400 2.425 0.005 9 0 "[ . 1]" 2
61 1 8 A C5' 1 8 A O4' . 2.320 2.420 2.412 2.368 2.421 0.001 3 0 "[ . 1]" 2
62 1 9 G C5' 1 9 G O4' . 2.320 2.420 2.411 2.361 2.422 0.002 9 0 "[ . 1]" 2
63 1 10 G C5' 1 10 G O4' . 2.320 2.420 2.421 2.420 2.422 0.002 2 0 "[ . 1]" 2
64 1 11 G C5' 1 11 G O4' . 2.320 2.420 2.410 2.346 2.421 0.001 10 0 "[ . 1]" 2
65 1 12 U C5' 1 12 U O4' . 2.320 2.420 2.389 2.325 2.421 0.001 8 0 "[ . 1]" 2
66 1 13 C C5' 1 13 C O4' . 2.320 2.420 2.420 2.418 2.422 0.002 1 0 "[ . 1]" 2
67 1 14 A C5' 1 14 A O4' . 2.320 2.420 2.416 2.392 2.423 0.003 1 0 "[ . 1]" 2
68 1 15 G C5' 1 15 G O4' . 2.320 2.420 2.393 2.354 2.422 0.002 5 0 "[ . 1]" 2
69 1 16 G C5' 1 16 G O4' . 2.320 2.420 2.321 2.316 2.339 0.004 10 0 "[ . 1]" 2
70 1 17 A C5' 1 17 A O4' . 2.320 2.420 2.412 2.376 2.420 . 8 0 "[ . 1]" 2
71 1 18 G C5' 1 18 G O4' . 2.320 2.420 2.412 2.384 2.420 . 0 0 "[ . 1]" 2
72 1 19 C C5' 1 19 C O4' . 2.320 2.420 2.397 2.337 2.415 . 0 0 "[ . 1]" 2
73 1 20 C C5' 1 20 C O4' . 2.320 2.420 2.417 2.404 2.420 0.000 3 0 "[ . 1]" 2
74 1 21 C C5' 1 21 C O4' . 2.320 2.420 2.405 2.321 2.421 0.001 6 0 "[ . 1]" 2
75 1 22 C C5' 1 22 C O4' . 2.320 2.420 2.413 2.374 2.421 0.001 2 0 "[ . 1]" 2
76 1 23 C C5' 1 23 C O4' . 2.320 2.420 2.420 2.417 2.422 0.002 2 0 "[ . 1]" 2
77 1 24 C C5' 1 24 C O4' . 2.320 2.420 2.422 2.420 2.424 0.004 3 0 "[ . 1]" 2
78 1 25 C C5' 1 25 C O4' . 2.320 2.420 2.404 2.364 2.422 0.002 10 0 "[ . 1]" 2
79 1 26 C C5' 1 26 C O4' . 2.320 2.420 2.420 2.420 2.422 0.002 1 0 "[ . 1]" 2
80 1 27 U C5' 1 27 U O4' . 2.320 2.420 2.420 2.410 2.422 0.002 6 0 "[ . 1]" 2
81 1 28 G C5' 1 28 G O4' . 2.320 2.420 2.336 2.307 2.418 0.013 10 0 "[ . 1]" 2
82 1 29 A C5' 1 29 A O4' . 2.320 2.420 2.419 2.398 2.428 0.008 9 0 "[ . 1]" 2
83 1 30 A C5' 1 30 A O4' . 2.320 2.420 2.406 2.362 2.437 0.017 6 0 "[ . 1]" 2
84 1 31 C C5' 1 31 C O4' . 2.320 2.420 2.421 2.411 2.427 0.007 5 0 "[ . 1]" 2
85 1 32 C C5' 1 32 C O4' . 2.320 2.420 2.355 2.322 2.423 0.003 5 0 "[ . 1]" 2
86 1 33 C C5' 1 33 C O4' . 2.320 2.420 2.417 2.400 2.422 0.002 9 0 "[ . 1]" 2
87 1 34 A C5' 1 34 A O4' . 2.320 2.420 2.421 2.419 2.428 0.008 9 0 "[ . 1]" 2
88 1 35 G C5' 1 35 G O4' . 2.320 2.420 2.420 2.419 2.426 0.006 9 0 "[ . 1]" 2
89 1 36 G C5' 1 36 G O4' . 2.320 2.420 2.420 2.419 2.421 0.001 2 0 "[ . 1]" 2
90 1 37 A C5' 1 37 A O4' . 2.320 2.420 2.367 2.319 2.420 0.001 4 0 "[ . 1]" 2
91 1 38 U C5' 1 38 U O4' . 2.320 2.420 2.417 2.409 2.420 0.000 7 0 "[ . 1]" 2
92 1 39 A C5' 1 39 A O4' . 2.320 2.420 2.411 2.378 2.421 0.001 7 0 "[ . 1]" 2
93 1 40 A C5' 1 40 A O4' . 2.320 2.420 2.410 2.382 2.420 . 9 0 "[ . 1]" 2
94 1 41 C C5' 1 41 C O4' . 2.320 2.420 2.379 2.319 2.415 0.001 7 0 "[ . 1]" 2
95 1 42 C C5' 1 42 C O4' . 2.320 2.420 2.388 2.335 2.413 . 0 0 "[ . 1]" 2
96 1 43 C C5' 1 43 C O4' . 2.320 2.420 2.387 2.330 2.416 . 0 0 "[ . 1]" 2
97 1 44 U C5' 1 44 U O4' . 2.320 2.420 2.395 2.371 2.419 . 0 0 "[ . 1]" 2
98 1 45 C C5' 1 45 C O4' . 2.320 2.420 2.385 2.344 2.417 . 0 0 "[ . 1]" 2
99 1 46 A C5' 1 46 A O4' . 2.320 2.420 2.402 2.355 2.421 0.001 3 0 "[ . 1]" 2
100 1 47 A C5' 1 47 A O4' . 2.320 2.420 2.384 2.338 2.425 0.005 3 0 "[ . 1]" 2
101 1 48 A C5' 1 48 A O4' . 2.320 2.420 2.381 2.338 2.417 . 0 0 "[ . 1]" 2
102 1 49 G C5' 1 49 G O4' . 2.320 2.420 2.401 2.334 2.418 . 0 0 "[ . 1]" 2
103 1 50 U C5' 1 50 U O4' . 2.320 2.420 2.394 2.364 2.416 . 0 0 "[ . 1]" 2
104 1 51 C C5' 1 51 C O4' . 2.320 2.420 2.383 2.338 2.420 . 0 0 "[ . 1]" 2
105 1 52 G C5' 1 52 G O4' . 2.320 2.420 2.420 2.419 2.422 0.002 10 0 "[ . 1]" 2
106 1 53 G C5' 1 53 G O4' . 2.320 2.420 2.418 2.411 2.421 0.001 8 0 "[ . 1]" 2
107 1 54 G C5' 1 54 G O4' . 2.320 2.420 2.419 2.413 2.421 0.001 9 0 "[ . 1]" 2
108 1 55 G C5' 1 55 G O4' . 2.320 2.420 2.407 2.358 2.421 0.001 6 0 "[ . 1]" 2
109 1 56 G C5' 1 56 G O4' . 2.320 2.420 2.407 2.376 2.420 . 9 0 "[ . 1]" 2
110 1 57 G C5' 1 57 G O4' . 2.320 2.420 2.402 2.360 2.420 0.000 4 0 "[ . 1]" 2
111 1 58 C C5' 1 58 C O4' . 2.320 2.420 2.397 2.334 2.418 . 0 0 "[ . 1]" 2
112 1 59 A C5' 1 59 A O4' . 2.320 2.420 2.377 2.323 2.412 . 0 0 "[ . 1]" 2
113 1 4 G C3' 1 4 G C5' . 2.480 2.580 2.554 2.553 2.555 . 0 0 "[ . 1]" 2
114 1 5 G C3' 1 5 G C5' . 2.480 2.580 2.554 2.553 2.554 . 0 0 "[ . 1]" 2
115 1 6 U C3' 1 6 U C5' . 2.480 2.580 2.554 2.553 2.555 . 0 0 "[ . 1]" 2
116 1 7 C C3' 1 7 C C5' . 2.480 2.580 2.554 2.553 2.554 . 0 0 "[ . 1]" 2
117 1 8 A C3' 1 8 A C5' . 2.480 2.580 2.554 2.553 2.555 . 0 0 "[ . 1]" 2
118 1 9 G C3' 1 9 G C5' . 2.480 2.580 2.554 2.553 2.555 . 0 0 "[ . 1]" 2
119 1 10 G C3' 1 10 G C5' . 2.480 2.580 2.554 2.553 2.554 . 0 0 "[ . 1]" 2
120 1 11 G C3' 1 11 G C5' . 2.480 2.580 2.553 2.552 2.554 . 0 0 "[ . 1]" 2
121 1 12 U C3' 1 12 U C5' . 2.480 2.580 2.554 2.554 2.555 . 0 0 "[ . 1]" 2
122 1 13 C C3' 1 13 C C5' . 2.480 2.580 2.554 2.552 2.555 . 0 0 "[ . 1]" 2
123 1 14 A C3' 1 14 A C5' . 2.480 2.580 2.554 2.553 2.555 . 0 0 "[ . 1]" 2
124 1 15 G C3' 1 15 G C5' . 2.480 2.580 2.554 2.553 2.555 . 0 0 "[ . 1]" 2
125 1 16 G C3' 1 16 G C5' . 2.480 2.580 2.554 2.553 2.554 . 0 0 "[ . 1]" 2
126 1 17 A C3' 1 17 A C5' . 2.480 2.580 2.554 2.553 2.554 . 0 0 "[ . 1]" 2
127 1 18 G C3' 1 18 G C5' . 2.480 2.580 2.554 2.553 2.555 . 0 0 "[ . 1]" 2
128 1 19 C C3' 1 19 C C5' . 2.480 2.580 2.553 2.552 2.555 . 0 0 "[ . 1]" 2
129 1 20 C C3' 1 20 C C5' . 2.480 2.580 2.554 2.553 2.555 . 0 0 "[ . 1]" 2
130 1 21 C C3' 1 21 C C5' . 2.480 2.580 2.553 2.552 2.554 . 0 0 "[ . 1]" 2
131 1 22 C C3' 1 22 C C5' . 2.480 2.580 2.553 2.553 2.554 . 0 0 "[ . 1]" 2
132 1 23 C C3' 1 23 C C5' . 2.480 2.580 2.554 2.553 2.554 . 0 0 "[ . 1]" 2
133 1 24 C C3' 1 24 C C5' . 2.480 2.580 2.554 2.552 2.555 . 0 0 "[ . 1]" 2
134 1 25 C C3' 1 25 C C5' . 2.480 2.580 2.554 2.553 2.554 . 0 0 "[ . 1]" 2
135 1 26 C C3' 1 26 C C5' . 2.480 2.580 2.554 2.553 2.555 . 0 0 "[ . 1]" 2
136 1 27 U C3' 1 27 U C5' . 2.480 2.580 2.554 2.553 2.555 . 0 0 "[ . 1]" 2
137 1 28 G C3' 1 28 G C5' . 2.480 2.580 2.554 2.553 2.554 . 0 0 "[ . 1]" 2
138 1 29 A C3' 1 29 A C5' . 2.480 2.580 2.554 2.552 2.555 . 0 0 "[ . 1]" 2
139 1 30 A C3' 1 30 A C5' . 2.480 2.580 2.553 2.552 2.554 . 0 0 "[ . 1]" 2
140 1 31 C C3' 1 31 C C5' . 2.480 2.580 2.553 2.552 2.554 . 0 0 "[ . 1]" 2
141 1 32 C C3' 1 32 C C5' . 2.480 2.580 2.553 2.553 2.554 . 0 0 "[ . 1]" 2
142 1 33 C C3' 1 33 C C5' . 2.480 2.580 2.554 2.553 2.554 . 0 0 "[ . 1]" 2
143 1 34 A C3' 1 34 A C5' . 2.480 2.580 2.554 2.553 2.554 . 0 0 "[ . 1]" 2
144 1 35 G C3' 1 35 G C5' . 2.480 2.580 2.554 2.552 2.554 . 0 0 "[ . 1]" 2
145 1 36 G C3' 1 36 G C5' . 2.480 2.580 2.554 2.553 2.555 . 0 0 "[ . 1]" 2
146 1 37 A C3' 1 37 A C5' . 2.480 2.580 2.554 2.553 2.555 . 0 0 "[ . 1]" 2
147 1 38 U C3' 1 38 U C5' . 2.480 2.580 2.554 2.553 2.554 . 0 0 "[ . 1]" 2
148 1 39 A C3' 1 39 A C5' . 2.480 2.580 2.554 2.553 2.555 . 0 0 "[ . 1]" 2
149 1 40 A C3' 1 40 A C5' . 2.480 2.580 2.553 2.553 2.554 . 0 0 "[ . 1]" 2
150 1 41 C C3' 1 41 C C5' . 2.480 2.580 2.554 2.553 2.555 . 0 0 "[ . 1]" 2
151 1 42 C C3' 1 42 C C5' . 2.480 2.580 2.554 2.553 2.555 . 0 0 "[ . 1]" 2
152 1 43 C C3' 1 43 C C5' . 2.480 2.580 2.554 2.553 2.555 . 0 0 "[ . 1]" 2
153 1 44 U C3' 1 44 U C5' . 2.480 2.580 2.554 2.553 2.554 . 0 0 "[ . 1]" 2
154 1 45 C C3' 1 45 C C5' . 2.480 2.580 2.553 2.553 2.554 . 0 0 "[ . 1]" 2
155 1 46 A C3' 1 46 A C5' . 2.480 2.580 2.554 2.553 2.555 . 0 0 "[ . 1]" 2
156 1 47 A C3' 1 47 A C5' . 2.480 2.580 2.554 2.553 2.555 . 0 0 "[ . 1]" 2
157 1 48 A C3' 1 48 A C5' . 2.480 2.580 2.554 2.553 2.555 . 0 0 "[ . 1]" 2
158 1 49 G C3' 1 49 G C5' . 2.480 2.580 2.554 2.553 2.555 . 0 0 "[ . 1]" 2
159 1 50 U C3' 1 50 U C5' . 2.480 2.580 2.554 2.553 2.555 . 0 0 "[ . 1]" 2
160 1 51 C C3' 1 51 C C5' . 2.480 2.580 2.554 2.553 2.554 . 0 0 "[ . 1]" 2
161 1 52 G C3' 1 52 G C5' . 2.480 2.580 2.554 2.553 2.555 . 0 0 "[ . 1]" 2
162 1 53 G C3' 1 53 G C5' . 2.480 2.580 2.554 2.553 2.554 . 0 0 "[ . 1]" 2
163 1 54 G C3' 1 54 G C5' . 2.480 2.580 2.554 2.553 2.555 . 0 0 "[ . 1]" 2
164 1 55 G C3' 1 55 G C5' . 2.480 2.580 2.554 2.553 2.555 . 0 0 "[ . 1]" 2
165 1 56 G C3' 1 56 G C5' . 2.480 2.580 2.554 2.553 2.554 . 0 0 "[ . 1]" 2
166 1 57 G C3' 1 57 G C5' . 2.480 2.580 2.554 2.554 2.555 . 0 0 "[ . 1]" 2
167 1 58 C C3' 1 58 C C5' . 2.480 2.580 2.553 2.553 2.554 . 0 0 "[ . 1]" 2
168 1 59 A C3' 1 59 A C5' . 2.480 2.580 2.554 2.552 2.555 . 0 0 "[ . 1]" 2
stop_
save_
save_distance_constraint_statistics_3
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 3
_Distance_constraint_stats_list.Constraint_count 40
_Distance_constraint_stats_list.Viol_count 60
_Distance_constraint_stats_list.Viol_total 1.396
_Distance_constraint_stats_list.Viol_max 0.006
_Distance_constraint_stats_list.Viol_rms 0.0010
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0003
_Distance_constraint_stats_list.Viol_average_violations_only 0.0023
_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 G 0.024 0.005 7 0 "[ . 1]"
1 6 U 0.003 0.002 4 0 "[ . 1]"
1 7 C 0.027 0.004 1 0 "[ . 1]"
1 8 A 0.033 0.005 2 0 "[ . 1]"
1 9 G 0.012 0.005 10 0 "[ . 1]"
1 10 G 0.014 0.006 8 0 "[ . 1]"
1 11 G 0.009 0.003 1 0 "[ . 1]"
1 12 U 0.003 0.003 4 0 "[ . 1]"
1 13 C 0.009 0.004 8 0 "[ . 1]"
1 14 A 0.001 0.001 1 0 "[ . 1]"
1 15 G 0.005 0.003 9 0 "[ . 1]"
1 19 C 0.000 0.000 . 0 "[ . 1]"
1 20 C 0.000 0.000 . 0 "[ . 1]"
1 21 C 0.003 0.002 5 0 "[ . 1]"
1 22 C 0.003 0.003 9 0 "[ . 1]"
1 23 C 0.012 0.004 8 0 "[ . 1]"
1 24 C 0.007 0.003 9 0 "[ . 1]"
1 25 C 0.007 0.005 10 0 "[ . 1]"
1 26 C 0.011 0.004 8 0 "[ . 1]"
1 27 U 0.017 0.006 8 0 "[ . 1]"
1 28 G 0.034 0.004 5 0 "[ . 1]"
1 30 A 0.022 0.005 2 0 "[ . 1]"
1 31 C 0.024 0.005 7 0 "[ . 1]"
1 32 C 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 5 G P 1 32 C P . 8.000 9.000 8.403 8.178 8.936 . 0 0 "[ . 1]" 3
2 1 5 G P 1 31 C P . 8.000 9.000 9.002 8.999 9.005 0.005 7 0 "[ . 1]" 3
3 1 6 U P 1 31 C P . 8.000 9.000 8.700 8.459 8.888 . 0 0 "[ . 1]" 3
4 1 6 U P 1 30 A P . 8.000 9.000 8.000 7.998 8.002 0.002 4 0 "[ . 1]" 3
5 1 7 C P 1 30 A P . 8.000 9.000 8.068 7.996 8.674 0.004 1 0 "[ . 1]" 3
6 1 7 C P 1 28 G P . 8.000 9.000 9.001 8.995 9.004 0.004 1 0 "[ . 1]" 3
7 1 7 C P 1 27 U P . 11.000 12.000 11.679 11.487 11.932 . 0 0 "[ . 1]" 3
8 1 7 C P 1 31 C P . 11.000 12.000 11.198 11.000 11.729 . 0 0 "[ . 1]" 3
9 1 8 A P 1 28 G P . 8.000 9.000 8.997 8.978 9.003 0.003 5 0 "[ . 1]" 3
10 1 8 A P 1 27 U P . 8.000 9.000 8.079 7.997 8.288 0.003 10 0 "[ . 1]" 3
11 1 8 A P 1 26 C P . 11.000 12.000 11.987 11.870 12.004 0.004 8 0 "[ . 1]" 3
12 1 8 A P 1 30 A P . 11.000 12.000 11.008 10.995 11.075 0.005 2 0 "[ . 1]" 3
13 1 9 G P 1 28 G P . 11.000 12.000 11.900 11.293 12.004 0.004 5 0 "[ . 1]" 3
14 1 9 G P 1 27 U P . 8.000 9.000 8.245 8.009 8.536 . 0 0 "[ . 1]" 3
15 1 9 G P 1 26 C P . 8.000 9.000 8.530 8.189 8.878 . 0 0 "[ . 1]" 3
16 1 9 G P 1 25 C P . 11.000 12.000 11.429 10.995 11.882 0.005 10 0 "[ . 1]" 3
17 1 10 G P 1 27 U P . 11.000 12.000 11.018 10.994 11.081 0.006 8 0 "[ . 1]" 3
18 1 10 G P 1 26 C P . 8.000 9.000 8.540 8.336 8.729 . 0 0 "[ . 1]" 3
19 1 10 G P 1 25 C P . 8.000 9.000 8.163 8.003 8.653 . 0 0 "[ . 1]" 3
20 1 10 G P 1 24 C P . . 12.000 11.610 11.183 12.003 0.003 9 0 "[ . 1]" 3
21 1 11 G P 1 26 C P . 11.000 12.000 11.431 11.070 12.002 0.002 10 0 "[ . 1]" 3
22 1 11 G P 1 25 C P . 8.000 9.000 8.574 7.997 8.975 0.003 1 0 "[ . 1]" 3
23 1 11 G P 1 24 C P . 8.000 9.000 8.111 7.997 8.466 0.003 2 0 "[ . 1]" 3
24 1 11 G P 1 23 C P . 11.000 12.000 11.289 11.001 11.494 . 0 0 "[ . 1]" 3
25 1 12 U P 1 25 C P . 11.000 12.000 11.494 11.002 11.975 . 0 0 "[ . 1]" 3
26 1 12 U P 1 24 C P . 8.000 9.000 8.313 8.017 8.967 . 0 0 "[ . 1]" 3
27 1 12 U P 1 23 C P . 8.000 9.000 8.123 7.997 8.616 0.003 4 0 "[ . 1]" 3
28 1 12 U P 1 22 C P . 11.000 12.000 11.170 11.004 11.588 . 0 0 "[ . 1]" 3
29 1 13 C P 1 24 C P . 11.000 12.000 11.832 11.732 11.993 . 0 0 "[ . 1]" 3
30 1 13 C P 1 23 C P . 8.000 9.000 8.975 8.869 9.004 0.004 8 0 "[ . 1]" 3
31 1 13 C P 1 22 C P . 8.000 9.000 8.361 8.142 8.998 . 0 0 "[ . 1]" 3
32 1 13 C P 1 21 C P . 11.000 12.000 11.645 11.324 12.000 . 1 0 "[ . 1]" 3
33 1 14 A P 1 23 C P . 11.000 12.000 11.602 11.001 11.926 . 0 0 "[ . 1]" 3
34 1 14 A P 1 22 C P . 8.000 9.000 8.325 8.004 8.708 . 0 0 "[ . 1]" 3
35 1 14 A P 1 21 C P . 8.000 9.000 8.034 7.999 8.118 0.001 1 0 "[ . 1]" 3
36 1 14 A P 1 20 C P . 11.000 12.000 11.612 11.363 11.895 . 0 0 "[ . 1]" 3
37 1 15 G P 1 22 C P . 11.000 12.000 11.965 11.861 12.003 0.003 9 0 "[ . 1]" 3
38 1 15 G P 1 21 C P . 8.000 9.000 8.966 8.812 9.002 0.002 5 0 "[ . 1]" 3
39 1 15 G P 1 20 C P . 8.000 9.000 8.931 8.733 8.999 . 0 0 "[ . 1]" 3
40 1 15 G P 1 19 C P . 11.000 12.000 11.048 11.001 11.292 . 0 0 "[ . 1]" 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 385
_Distance_constraint_stats_list.Viol_count 296
_Distance_constraint_stats_list.Viol_total 35.546
_Distance_constraint_stats_list.Viol_max 0.174
_Distance_constraint_stats_list.Viol_rms 0.0071
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0009
_Distance_constraint_stats_list.Viol_average_violations_only 0.0120
_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 G 0.000 0.000 . 0 "[ . 1]"
1 5 G 0.036 0.005 1 0 "[ . 1]"
1 6 U 0.072 0.006 10 0 "[ . 1]"
1 7 C 0.067 0.009 10 0 "[ . 1]"
1 8 A 0.741 0.174 10 0 "[ . 1]"
1 9 G 0.092 0.026 9 0 "[ . 1]"
1 10 G 0.015 0.003 10 0 "[ . 1]"
1 11 G 0.009 0.003 9 0 "[ . 1]"
1 12 U 0.033 0.005 8 0 "[ . 1]"
1 13 C 0.006 0.005 10 0 "[ . 1]"
1 14 A 0.057 0.005 5 0 "[ . 1]"
1 15 G 0.385 0.027 10 0 "[ . 1]"
1 16 G 0.989 0.042 9 0 "[ . 1]"
1 17 A 0.003 0.001 1 0 "[ . 1]"
1 18 G 0.008 0.002 2 0 "[ . 1]"
1 19 C 0.005 0.002 1 0 "[ . 1]"
1 20 C 0.002 0.001 5 0 "[ . 1]"
1 21 C 0.001 0.001 5 0 "[ . 1]"
1 22 C 0.000 0.000 . 0 "[ . 1]"
1 23 C 0.002 0.002 4 0 "[ . 1]"
1 24 C 0.039 0.007 2 0 "[ . 1]"
1 25 C 0.052 0.007 2 0 "[ . 1]"
1 26 C 0.005 0.003 9 0 "[ . 1]"
1 27 U 0.108 0.017 5 0 "[ . 1]"
1 28 G 0.593 0.058 6 0 "[ . 1]"
1 29 A 0.130 0.059 10 0 "[ . 1]"
1 30 A 1.137 0.082 10 0 "[ . 1]"
1 31 C 0.006 0.002 9 0 "[ . 1]"
1 32 C 0.000 0.000 . 0 "[ . 1]"
1 33 C 0.022 0.009 9 0 "[ . 1]"
1 34 A 0.029 0.009 9 0 "[ . 1]"
1 35 G 0.043 0.009 9 0 "[ . 1]"
1 36 G 0.038 0.009 9 0 "[ . 1]"
1 37 A 0.014 0.002 9 0 "[ . 1]"
1 38 U 0.008 0.002 9 0 "[ . 1]"
1 39 A 0.000 0.000 . 0 "[ . 1]"
1 40 A 0.000 0.000 . 0 "[ . 1]"
1 41 C 0.000 0.000 . 0 "[ . 1]"
1 42 C 0.000 0.000 . 0 "[ . 1]"
1 43 C 0.000 0.000 . 0 "[ . 1]"
1 44 U 0.000 0.000 . 0 "[ . 1]"
1 45 C 0.000 0.000 . 0 "[ . 1]"
1 46 A 0.000 0.000 . 0 "[ . 1]"
1 47 A 0.000 0.000 . 0 "[ . 1]"
1 48 A 0.000 0.000 . 0 "[ . 1]"
1 49 G 0.000 0.000 . 0 "[ . 1]"
1 50 U 0.000 0.000 . 0 "[ . 1]"
1 51 C 0.000 0.000 . 0 "[ . 1]"
1 52 G 0.675 0.042 9 0 "[ . 1]"
1 53 G 0.003 0.001 6 0 "[ . 1]"
1 54 G 0.004 0.002 3 0 "[ . 1]"
1 55 G 0.004 0.002 3 0 "[ . 1]"
1 56 G 0.004 0.001 1 0 "[ . 1]"
1 57 G 0.002 0.001 1 0 "[ . 1]"
1 58 C 0.000 0.000 1 0 "[ . 1]"
1 59 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 4 G H2' 1 4 G H8 . . 4.000 3.053 2.380 3.855 . 0 0 "[ . 1]" 4
2 1 4 G H3' 1 4 G H8 . . 3.000 2.149 2.001 2.744 . 0 0 "[ . 1]" 4
3 1 4 G H3' 1 4 G H5'' . . 3.300 3.014 2.904 3.093 . 0 0 "[ . 1]" 4
4 1 4 G H4' 1 4 G H5' . . 2.700 2.527 2.464 2.561 . 0 0 "[ . 1]" 4
5 1 4 G H4' 1 4 G H5'' . . 2.700 2.347 2.319 2.400 . 0 0 "[ . 1]" 4
6 1 5 G H2' 1 5 G H8 . . 4.000 3.415 2.909 3.890 . 0 0 "[ . 1]" 4
7 1 5 G H3' 1 5 G H8 . . 3.000 2.368 2.000 2.922 . 0 0 "[ . 1]" 4
8 1 5 G H3' 1 5 G H5'' . . 3.300 2.723 2.692 2.745 . 0 0 "[ . 1]" 4
9 1 5 G H4' 1 5 G H5' . . 2.700 2.361 2.349 2.367 . 0 0 "[ . 1]" 4
10 1 5 G H4' 1 5 G H5'' . . 2.700 2.508 2.501 2.522 . 0 0 "[ . 1]" 4
11 1 5 G H8 1 6 U H5 . . 5.000 3.129 2.537 3.810 . 0 0 "[ . 1]" 4
12 1 5 G H2' 1 6 U H6 . . 2.700 2.522 2.283 2.704 0.004 7 0 "[ . 1]" 4
13 1 5 G H3' 1 6 U H6 . . 3.300 3.179 2.871 3.305 0.005 1 0 "[ . 1]" 4
14 1 6 U H2' 1 6 U H6 . . 4.000 3.838 3.689 3.968 . 0 0 "[ . 1]" 4
15 1 6 U H3' 1 6 U H6 . . 3.000 2.841 2.626 3.002 0.002 3 0 "[ . 1]" 4
16 1 6 U H3' 1 6 U H5'' . . 3.300 2.657 2.573 2.726 . 0 0 "[ . 1]" 4
17 1 6 U H4' 1 6 U H5' . . 2.700 2.328 2.294 2.343 . 0 0 "[ . 1]" 4
18 1 6 U H4' 1 6 U H5'' . . 2.700 2.551 2.528 2.599 . 0 0 "[ . 1]" 4
19 1 6 U H6 1 7 C H5 . . 5.000 4.067 3.652 4.372 . 0 0 "[ . 1]" 4
20 1 6 U H2' 1 7 C H6 . . 2.700 2.314 2.003 2.706 0.006 10 0 "[ . 1]" 4
21 1 6 U H3' 1 7 C H6 . . 3.300 3.138 2.735 3.305 0.005 2 0 "[ . 1]" 4
22 1 7 C H2' 1 7 C H6 . . 4.000 3.856 3.623 3.974 . 0 0 "[ . 1]" 4
23 1 7 C H3' 1 7 C H6 . . 3.000 2.947 2.826 3.009 0.009 10 0 "[ . 1]" 4
24 1 7 C H3' 1 7 C H5'' . . 3.300 2.722 2.671 2.817 . 0 0 "[ . 1]" 4
25 1 7 C H4' 1 7 C H5' . . 2.700 2.351 2.335 2.397 . 0 0 "[ . 1]" 4
26 1 7 C H4' 1 7 C H5'' . . 2.700 2.521 2.467 2.540 . 0 0 "[ . 1]" 4
27 1 7 C H6 1 8 A H8 . . 5.000 4.849 4.315 5.002 0.002 5 0 "[ . 1]" 4
28 1 7 C H2' 1 8 A H8 . . 2.700 2.513 2.110 2.708 0.008 10 0 "[ . 1]" 4
29 1 7 C H3' 1 8 A H8 . . 3.300 3.211 3.070 3.302 0.002 9 0 "[ . 1]" 4
30 1 8 A H2' 1 8 A H8 . . 4.000 4.008 3.994 4.040 0.040 9 0 "[ . 1]" 4
31 1 8 A H3' 1 8 A H8 . . 3.000 2.956 2.863 3.001 0.001 4 0 "[ . 1]" 4
32 1 8 A H3' 1 8 A H5'' . . 3.300 2.785 2.660 3.192 . 0 0 "[ . 1]" 4
33 1 8 A H4' 1 8 A H5' . . 2.700 2.447 2.338 2.837 0.137 9 0 "[ . 1]" 4
34 1 8 A H4' 1 8 A H5'' . . 2.700 2.592 2.489 2.874 0.174 10 0 "[ . 1]" 4
35 1 8 A H8 1 9 G H8 . . 5.000 4.893 4.430 5.002 0.002 7 0 "[ . 1]" 4
36 1 8 A H2' 1 9 G H8 . . 2.700 2.028 1.998 2.182 . 0 0 "[ . 1]" 4
37 1 8 A H3' 1 9 G H8 . . 3.300 3.191 2.771 3.301 0.001 2 0 "[ . 1]" 4
38 1 8 A H2 1 9 G H1' . . 5.000 4.239 3.901 4.727 . 0 0 "[ . 1]" 4
39 1 8 A H2 1 9 G H8 . . 5.000 4.966 4.926 5.007 0.007 9 0 "[ . 1]" 4
40 1 9 G H2' 1 9 G H8 . . 4.000 4.007 4.000 4.026 0.026 9 0 "[ . 1]" 4
41 1 9 G H3' 1 9 G H8 . . 3.000 2.961 2.896 2.999 . 0 0 "[ . 1]" 4
42 1 9 G H3' 1 9 G H5'' . . 3.300 2.840 2.733 3.079 . 0 0 "[ . 1]" 4
43 1 9 G H4' 1 9 G H5' . . 2.700 2.431 2.368 2.566 . 0 0 "[ . 1]" 4
44 1 9 G H4' 1 9 G H5'' . . 2.700 2.438 2.316 2.499 . 0 0 "[ . 1]" 4
45 1 9 G H8 1 10 G H8 . . 5.000 4.928 4.771 5.002 0.002 9 0 "[ . 1]" 4
46 1 9 G H2' 1 10 G H8 . . 2.700 1.999 1.998 2.000 . 0 0 "[ . 1]" 4
47 1 9 G H3' 1 10 G H8 . . 3.300 3.271 3.196 3.302 0.002 10 0 "[ . 1]" 4
48 1 10 G H2' 1 10 G H8 . . 4.000 3.983 3.924 4.003 0.003 10 0 "[ . 1]" 4
49 1 10 G H3' 1 10 G H8 . . 3.000 2.946 2.918 2.983 . 0 0 "[ . 1]" 4
50 1 10 G H3' 1 10 G H5'' . . 3.300 2.735 2.701 2.881 . 0 0 "[ . 1]" 4
51 1 10 G H4' 1 10 G H5' . . 2.700 2.372 2.358 2.435 . 0 0 "[ . 1]" 4
52 1 10 G H4' 1 10 G H5'' . . 2.700 2.495 2.428 2.509 . 0 0 "[ . 1]" 4
53 1 10 G H8 1 11 G H8 . . 5.000 4.915 4.839 4.986 . 0 0 "[ . 1]" 4
54 1 10 G H2' 1 11 G H8 . . 2.700 2.040 1.998 2.239 . 0 0 "[ . 1]" 4
55 1 10 G H3' 1 11 G H8 . . 3.300 3.271 3.050 3.303 0.003 9 0 "[ . 1]" 4
56 1 11 G H2' 1 11 G H8 . . 4.000 3.964 3.897 3.999 . 0 0 "[ . 1]" 4
57 1 11 G H3' 1 11 G H8 . . 3.000 2.925 2.823 2.979 . 0 0 "[ . 1]" 4
58 1 11 G H3' 1 11 G H5'' . . 3.300 2.769 2.698 2.913 . 0 0 "[ . 1]" 4
59 1 11 G H4' 1 11 G H5' . . 2.700 2.390 2.358 2.484 . 0 0 "[ . 1]" 4
60 1 11 G H4' 1 11 G H5'' . . 2.700 2.475 2.381 2.511 . 0 0 "[ . 1]" 4
61 1 11 G H8 1 12 U H5 . . 5.000 4.236 3.597 4.638 . 0 0 "[ . 1]" 4
62 1 11 G H2' 1 12 U H6 . . 2.700 2.321 2.004 2.701 0.001 5 0 "[ . 1]" 4
63 1 11 G H3' 1 12 U H6 . . 3.300 3.146 2.896 3.302 0.002 1 0 "[ . 1]" 4
64 1 12 U H2' 1 12 U H6 . . 4.000 3.808 3.608 3.878 . 0 0 "[ . 1]" 4
65 1 12 U H3' 1 12 U H6 . . 3.000 2.986 2.831 3.005 0.005 8 0 "[ . 1]" 4
66 1 12 U H3' 1 12 U H5'' . . 3.300 2.842 2.734 2.998 . 0 0 "[ . 1]" 4
67 1 12 U H4' 1 12 U H5' . . 2.700 2.411 2.349 2.499 . 0 0 "[ . 1]" 4
68 1 12 U H4' 1 12 U H5'' . . 2.700 2.455 2.368 2.522 . 0 0 "[ . 1]" 4
69 1 12 U H6 1 13 C H5 . . 5.000 3.801 3.669 3.899 . 0 0 "[ . 1]" 4
70 1 12 U H2' 1 13 C H6 . . 2.700 2.081 1.998 2.357 . 0 0 "[ . 1]" 4
71 1 12 U H3' 1 13 C H6 . . 3.300 3.224 3.156 3.301 0.001 1 0 "[ . 1]" 4
72 1 13 C H2' 1 13 C H6 . . 4.000 3.811 3.627 3.914 . 0 0 "[ . 1]" 4
73 1 13 C H3' 1 13 C H6 . . 3.000 2.751 2.508 2.911 . 0 0 "[ . 1]" 4
74 1 13 C H3' 1 13 C H5'' . . 3.300 2.837 2.737 2.997 . 0 0 "[ . 1]" 4
75 1 13 C H4' 1 13 C H5' . . 2.700 2.414 2.365 2.496 . 0 0 "[ . 1]" 4
76 1 13 C H4' 1 13 C H5'' . . 2.700 2.451 2.369 2.503 . 0 0 "[ . 1]" 4
77 1 13 C H6 1 14 A H8 . . 5.000 4.765 4.504 5.005 0.005 10 0 "[ . 1]" 4
78 1 13 C H2' 1 14 A H8 . . 2.700 2.087 2.010 2.192 . 0 0 "[ . 1]" 4
79 1 13 C H3' 1 14 A H8 . . 3.300 3.094 2.970 3.205 . 0 0 "[ . 1]" 4
80 1 14 A H2' 1 14 A H8 . . 4.000 3.959 3.917 4.002 0.002 10 0 "[ . 1]" 4
81 1 14 A H3' 1 14 A H8 . . 3.000 2.918 2.864 2.953 . 0 0 "[ . 1]" 4
82 1 14 A H3' 1 14 A H5'' . . 3.300 2.700 2.628 2.910 . 0 0 "[ . 1]" 4
83 1 14 A H4' 1 14 A H5' . . 2.700 2.359 2.324 2.464 . 0 0 "[ . 1]" 4
84 1 14 A H4' 1 14 A H5'' . . 2.700 2.513 2.399 2.554 . 0 0 "[ . 1]" 4
85 1 14 A H8 1 15 G H8 . . 5.000 4.889 4.738 5.005 0.005 10 0 "[ . 1]" 4
86 1 14 A H2 1 15 G H8 . . 5.000 5.002 4.999 5.005 0.005 5 0 "[ . 1]" 4
87 1 14 A H2' 1 15 G H8 . . 2.700 2.002 1.997 2.027 . 0 0 "[ . 1]" 4
88 1 14 A H3' 1 15 G H8 . . 3.300 3.299 3.267 3.304 0.004 1 0 "[ . 1]" 4
89 1 14 A H2 1 15 G H1' . . 5.000 3.937 3.773 4.133 . 0 0 "[ . 1]" 4
90 1 14 A H2 1 28 G H1' . . 5.000 4.320 3.655 4.655 . 0 0 "[ . 1]" 4
91 1 15 G H2' 1 15 G H8 . . 4.000 3.890 3.835 3.934 . 0 0 "[ . 1]" 4
92 1 15 G H3' 1 15 G H8 . . 3.000 2.833 2.667 2.916 . 0 0 "[ . 1]" 4
93 1 15 G H3' 1 15 G H5'' . . 3.300 2.963 2.908 3.081 . 0 0 "[ . 1]" 4
94 1 15 G H4' 1 15 G H5' . . 2.700 2.493 2.464 2.557 . 0 0 "[ . 1]" 4
95 1 15 G H4' 1 15 G H5'' . . 2.700 2.374 2.322 2.399 . 0 0 "[ . 1]" 4
96 1 15 G H8 1 16 G H8 . . 5.000 4.669 4.538 4.778 . 0 0 "[ . 1]" 4
97 1 15 G H2' 1 16 G H8 . . 2.700 2.711 2.707 2.713 0.013 2 0 "[ . 1]" 4
98 1 15 G H3' 1 16 G H8 . . 3.300 3.322 3.316 3.327 0.027 10 0 "[ . 1]" 4
99 1 16 G H2' 1 16 G H8 . . 4.000 3.476 3.439 3.509 . 0 0 "[ . 1]" 4
100 1 16 G H3' 1 16 G H8 . . 3.000 2.573 2.481 2.670 . 0 0 "[ . 1]" 4
101 1 16 G H3' 1 16 G H5'' . . 3.300 3.071 2.998 3.122 . 0 0 "[ . 1]" 4
102 1 16 G H4' 1 16 G H5' . . 2.700 2.559 2.522 2.577 . 0 0 "[ . 1]" 4
103 1 16 G H4' 1 16 G H5'' . . 2.700 2.322 2.307 2.350 . 0 0 "[ . 1]" 4
104 1 16 G H8 1 52 G H8 . . 5.000 5.030 5.021 5.037 0.037 2 0 "[ . 1]" 4
105 1 16 G H2' 1 52 G H8 . . 2.700 2.735 2.729 2.742 0.042 9 0 "[ . 1]" 4
106 1 16 G H2' 1 17 A H8 . . 5.000 2.369 2.066 2.893 . 0 0 "[ . 1]" 4
107 1 16 G H3' 1 17 A H8 . . 3.000 2.728 2.527 2.996 . 0 0 "[ . 1]" 4
108 1 17 A H2' 1 17 A H8 . . 4.000 3.962 3.837 4.001 0.001 1 0 "[ . 1]" 4
109 1 17 A H3' 1 17 A H8 . . 3.000 2.882 2.678 2.967 . 0 0 "[ . 1]" 4
110 1 17 A H3' 1 17 A H5'' . . 3.300 2.954 2.706 3.111 . 0 0 "[ . 1]" 4
111 1 17 A H4' 1 17 A H5' . . 2.700 2.493 2.352 2.569 . 0 0 "[ . 1]" 4
112 1 17 A H4' 1 17 A H5'' . . 2.700 2.384 2.314 2.519 . 0 0 "[ . 1]" 4
113 1 18 G H2' 1 18 G H8 . . 4.000 3.965 3.781 4.002 0.002 2 0 "[ . 1]" 4
114 1 18 G H3' 1 18 G H8 . . 3.000 2.906 2.658 2.963 . 0 0 "[ . 1]" 4
115 1 18 G H3' 1 18 G H5'' . . 3.300 2.970 2.866 3.114 . 0 0 "[ . 1]" 4
116 1 18 G H4' 1 18 G H5' . . 2.700 2.494 2.439 2.568 . 0 0 "[ . 1]" 4
117 1 18 G H4' 1 18 G H5'' . . 2.700 2.375 2.315 2.424 . 0 0 "[ . 1]" 4
118 1 18 G H8 1 19 C H5 . . 5.000 3.262 3.154 3.472 . 0 0 "[ . 1]" 4
119 1 18 G H2' 1 19 C H6 . . 2.700 2.698 2.688 2.702 0.002 1 0 "[ . 1]" 4
120 1 18 G H3' 1 19 C H6 . . 3.300 2.978 2.807 3.301 0.001 1 0 "[ . 1]" 4
121 1 19 C H2' 1 19 C H6 . . 4.000 3.736 3.541 3.860 . 0 0 "[ . 1]" 4
122 1 19 C H3' 1 19 C H6 . . 3.000 2.713 2.555 2.860 . 0 0 "[ . 1]" 4
123 1 19 C H3' 1 19 C H5'' . . 3.300 2.998 2.818 3.174 . 0 0 "[ . 1]" 4
124 1 19 C H4' 1 19 C H5' . . 2.700 2.498 2.404 2.581 . 0 0 "[ . 1]" 4
125 1 19 C H4' 1 19 C H5'' . . 2.700 2.372 2.305 2.459 . 0 0 "[ . 1]" 4
126 1 19 C H6 1 20 C H5 . . 5.000 3.992 3.854 4.177 . 0 0 "[ . 1]" 4
127 1 19 C H2' 1 20 C H6 . . 2.700 2.280 2.042 2.464 . 0 0 "[ . 1]" 4
128 1 19 C H3' 1 20 C H6 . . 3.300 3.285 3.238 3.301 0.001 4 0 "[ . 1]" 4
129 1 20 C H2' 1 20 C H6 . . 4.000 3.672 3.561 3.757 . 0 0 "[ . 1]" 4
130 1 20 C H3' 1 20 C H6 . . 3.000 2.664 2.552 2.807 . 0 0 "[ . 1]" 4
131 1 20 C H3' 1 20 C H5'' . . 3.300 2.927 2.748 3.133 . 0 0 "[ . 1]" 4
132 1 20 C H4' 1 20 C H5' . . 2.700 2.451 2.367 2.555 . 0 0 "[ . 1]" 4
133 1 20 C H4' 1 20 C H5'' . . 2.700 2.417 2.325 2.502 . 0 0 "[ . 1]" 4
134 1 20 C H6 1 21 C H5 . . 5.000 4.221 3.973 4.482 . 0 0 "[ . 1]" 4
135 1 20 C H2' 1 21 C H6 . . 2.700 2.176 2.005 2.414 . 0 0 "[ . 1]" 4
136 1 20 C H3' 1 21 C H6 . . 3.300 3.292 3.244 3.301 0.001 5 0 "[ . 1]" 4
137 1 21 C H2' 1 21 C H6 . . 4.000 3.780 3.654 3.944 . 0 0 "[ . 1]" 4
138 1 21 C H3' 1 21 C H6 . . 3.000 2.756 2.628 2.930 . 0 0 "[ . 1]" 4
139 1 21 C H3' 1 21 C H5'' . . 3.300 2.787 2.702 3.022 . 0 0 "[ . 1]" 4
140 1 21 C H4' 1 21 C H5' . . 2.700 2.391 2.348 2.537 . 0 0 "[ . 1]" 4
141 1 21 C H4' 1 21 C H5'' . . 2.700 2.477 2.338 2.524 . 0 0 "[ . 1]" 4
142 1 21 C H6 1 22 C H5 . . 5.000 3.954 3.810 4.250 . 0 0 "[ . 1]" 4
143 1 21 C H2' 1 22 C H6 . . 2.700 2.057 2.005 2.126 . 0 0 "[ . 1]" 4
144 1 21 C H3' 1 22 C H6 . . 3.300 3.116 3.003 3.239 . 0 0 "[ . 1]" 4
145 1 22 C H2' 1 22 C H6 . . 4.000 3.891 3.732 3.968 . 0 0 "[ . 1]" 4
146 1 22 C H3' 1 22 C H6 . . 3.000 2.880 2.706 2.980 . 0 0 "[ . 1]" 4
147 1 22 C H3' 1 22 C H5'' . . 3.300 2.762 2.673 2.865 . 0 0 "[ . 1]" 4
148 1 22 C H4' 1 22 C H5' . . 2.700 2.380 2.338 2.437 . 0 0 "[ . 1]" 4
149 1 22 C H4' 1 22 C H5'' . . 2.700 2.487 2.425 2.537 . 0 0 "[ . 1]" 4
150 1 22 C H6 1 23 C H5 . . 5.000 3.848 3.720 4.216 . 0 0 "[ . 1]" 4
151 1 22 C H2' 1 23 C H6 . . 2.700 2.172 2.007 2.483 . 0 0 "[ . 1]" 4
152 1 22 C H3' 1 23 C H6 . . 3.300 2.817 2.428 3.073 . 0 0 "[ . 1]" 4
153 1 23 C H2' 1 23 C H6 . . 4.000 3.942 3.885 3.977 . 0 0 "[ . 1]" 4
154 1 23 C H3' 1 23 C H6 . . 3.000 2.955 2.878 3.002 0.002 4 0 "[ . 1]" 4
155 1 23 C H3' 1 23 C H5'' . . 3.300 2.679 2.672 2.699 . 0 0 "[ . 1]" 4
156 1 23 C H4' 1 23 C H5' . . 2.700 2.340 2.338 2.348 . 0 0 "[ . 1]" 4
157 1 23 C H4' 1 23 C H5'' . . 2.700 2.534 2.524 2.538 . 0 0 "[ . 1]" 4
158 1 23 C H6 1 24 C H5 . . 5.000 3.863 3.753 4.023 . 0 0 "[ . 1]" 4
159 1 23 C H2' 1 24 C H6 . . 2.700 2.578 2.539 2.615 . 0 0 "[ . 1]" 4
160 1 23 C H3' 1 24 C H6 . . 3.300 2.461 2.402 2.523 . 0 0 "[ . 1]" 4
161 1 24 C H2' 1 24 C H6 . . 4.000 3.886 3.857 3.913 . 0 0 "[ . 1]" 4
162 1 24 C H3' 1 24 C H6 . . 3.000 2.877 2.841 2.916 . 0 0 "[ . 1]" 4
163 1 24 C H3' 1 24 C H5'' . . 3.300 2.670 2.649 2.682 . 0 0 "[ . 1]" 4
164 1 24 C H4' 1 24 C H5' . . 2.700 2.335 2.325 2.341 . 0 0 "[ . 1]" 4
165 1 24 C H4' 1 24 C H5'' . . 2.700 2.541 2.534 2.555 . 0 0 "[ . 1]" 4
166 1 24 C H6 1 25 C H5 . . 5.000 4.178 3.969 4.365 . 0 0 "[ . 1]" 4
167 1 24 C H2' 1 25 C H6 . . 2.700 2.491 2.424 2.564 . 0 0 "[ . 1]" 4
168 1 24 C H3' 1 25 C H6 . . 3.300 3.304 3.300 3.307 0.007 2 0 "[ . 1]" 4
169 1 25 C H2' 1 25 C H6 . . 4.000 3.859 3.832 3.906 . 0 0 "[ . 1]" 4
170 1 25 C H3' 1 25 C H6 . . 3.000 2.979 2.888 3.004 0.004 10 0 "[ . 1]" 4
171 1 25 C H3' 1 25 C H5'' . . 3.300 2.845 2.718 3.015 . 0 0 "[ . 1]" 4
172 1 25 C H4' 1 25 C H5' . . 2.700 2.409 2.346 2.511 . 0 0 "[ . 1]" 4
173 1 25 C H4' 1 25 C H5'' . . 2.700 2.458 2.358 2.526 . 0 0 "[ . 1]" 4
174 1 25 C H6 1 26 C H5 . . 5.000 3.965 3.675 4.221 . 0 0 "[ . 1]" 4
175 1 25 C H2' 1 26 C H6 . . 2.700 2.132 1.999 2.268 . 0 0 "[ . 1]" 4
176 1 25 C H3' 1 26 C H6 . . 3.300 3.250 3.124 3.301 0.001 4 0 "[ . 1]" 4
177 1 26 C H2' 1 26 C H6 . . 4.000 3.818 3.718 3.968 . 0 0 "[ . 1]" 4
178 1 26 C H3' 1 26 C H6 . . 3.000 2.776 2.600 2.990 . 0 0 "[ . 1]" 4
179 1 26 C H3' 1 26 C H5'' . . 3.300 2.731 2.667 3.118 . 0 0 "[ . 1]" 4
180 1 26 C H4' 1 26 C H5' . . 2.700 2.365 2.336 2.569 . 0 0 "[ . 1]" 4
181 1 26 C H4' 1 26 C H5'' . . 2.700 2.509 2.313 2.540 . 0 0 "[ . 1]" 4
182 1 26 C H6 1 27 U H5 . . 5.000 4.340 4.012 4.633 . 0 0 "[ . 1]" 4
183 1 26 C H2' 1 27 U H6 . . 2.700 2.010 1.999 2.052 . 0 0 "[ . 1]" 4
184 1 26 C H3' 1 27 U H6 . . 3.300 3.230 2.976 3.303 0.003 9 0 "[ . 1]" 4
185 1 27 U H2' 1 27 U H6 . . 4.000 3.813 3.752 3.840 . 0 0 "[ . 1]" 4
186 1 27 U H3' 1 27 U H6 . . 3.000 2.754 2.663 2.848 . 0 0 "[ . 1]" 4
187 1 27 U H3' 1 27 U H5'' . . 3.300 2.930 2.756 3.038 . 0 0 "[ . 1]" 4
188 1 27 U H4' 1 27 U H5' . . 2.700 2.462 2.369 2.521 . 0 0 "[ . 1]" 4
189 1 27 U H4' 1 27 U H5'' . . 2.700 2.403 2.349 2.497 . 0 0 "[ . 1]" 4
190 1 27 U H6 1 28 G H8 . . 5.000 4.983 4.913 5.002 0.002 10 0 "[ . 1]" 4
191 1 27 U H2' 1 28 G H8 . . 2.700 2.228 2.019 2.399 . 0 0 "[ . 1]" 4
192 1 27 U H3' 1 28 G H8 . . 3.300 3.286 3.054 3.317 0.017 5 0 "[ . 1]" 4
193 1 28 G H2' 1 28 G H8 . . 4.000 3.673 3.581 4.001 0.001 10 0 "[ . 1]" 4
194 1 28 G H3' 1 28 G H8 . . 3.000 2.564 2.371 3.002 0.002 10 0 "[ . 1]" 4
195 1 28 G H3' 1 28 G H5'' . . 3.300 3.075 2.963 3.162 . 0 0 "[ . 1]" 4
196 1 28 G H4' 1 28 G H5' . . 2.700 2.575 2.523 2.605 . 0 0 "[ . 1]" 4
197 1 28 G H4' 1 28 G H5'' . . 2.700 2.310 2.291 2.349 . 0 0 "[ . 1]" 4
198 1 28 G H2' 1 30 A H8 . . 3.300 2.300 1.992 3.321 0.021 10 0 "[ . 1]" 4
199 1 28 G H3' 1 30 A H8 . . 3.300 3.346 3.330 3.358 0.058 6 0 "[ . 1]" 4
200 1 29 A H2' 1 29 A H8 . . 4.000 2.618 2.190 3.331 . 0 0 "[ . 1]" 4
201 1 29 A H3' 1 29 A H8 . . 3.000 2.564 2.000 2.823 . 0 0 "[ . 1]" 4
202 1 29 A H3' 1 29 A H5'' . . 3.300 3.270 3.133 3.359 0.059 10 0 "[ . 1]" 4
203 1 29 A H4' 1 29 A H5' . . 2.700 2.628 2.598 2.662 . 0 0 "[ . 1]" 4
204 1 29 A H4' 1 29 A H5'' . . 2.700 2.276 2.257 2.293 . 0 0 "[ . 1]" 4
205 1 30 A H2' 1 30 A H8 . . 4.000 4.031 4.016 4.082 0.082 10 0 "[ . 1]" 4
206 1 30 A H3' 1 30 A H8 . . 3.000 2.994 2.905 3.075 0.075 6 0 "[ . 1]" 4
207 1 30 A H8 1 31 C H5 . . 5.000 4.010 3.740 4.220 . 0 0 "[ . 1]" 4
208 1 30 A H2' 1 31 C H6 . . 2.700 2.377 2.007 2.701 0.001 1 0 "[ . 1]" 4
209 1 30 A H3' 1 31 C H6 . . 3.300 2.788 2.580 2.929 . 0 0 "[ . 1]" 4
210 1 31 C H2' 1 31 C H6 . . 4.000 3.931 3.848 3.978 . 0 0 "[ . 1]" 4
211 1 31 C H3' 1 31 C H6 . . 3.000 2.982 2.867 3.002 0.002 9 0 "[ . 1]" 4
212 1 31 C H3' 1 31 C H5'' . . 3.310 2.722 2.645 2.960 . 0 0 "[ . 1]" 4
213 1 31 C H4' 1 31 C H5' . . 2.700 2.356 2.317 2.480 . 0 0 "[ . 1]" 4
214 1 31 C H4' 1 31 C H5'' . . 2.700 2.517 2.385 2.563 . 0 0 "[ . 1]" 4
215 1 31 C H6 1 32 C H5 . . 5.000 4.040 3.861 4.303 . 0 0 "[ . 1]" 4
216 1 31 C H2' 1 32 C H6 . . 2.700 2.151 1.999 2.696 . 0 0 "[ . 1]" 4
217 1 31 C H3' 1 32 C H6 . . 3.310 2.949 2.645 3.236 . 0 0 "[ . 1]" 4
218 1 32 C H2' 1 32 C H6 . . 4.000 3.868 3.784 3.969 . 0 0 "[ . 1]" 4
219 1 32 C H3' 1 32 C H6 . . 3.000 2.895 2.799 2.992 . 0 0 "[ . 1]" 4
220 1 32 C H3' 1 32 C H5'' . . 3.300 2.849 2.654 2.943 . 0 0 "[ . 1]" 4
221 1 32 C H4' 1 32 C H5' . . 2.700 2.439 2.330 2.494 . 0 0 "[ . 1]" 4
222 1 32 C H4' 1 32 C H5'' . . 2.700 2.427 2.370 2.546 . 0 0 "[ . 1]" 4
223 1 32 C H6 1 33 C H5 . . 5.000 4.054 3.716 4.429 . 0 0 "[ . 1]" 4
224 1 32 C H2' 1 33 C H6 . . 2.700 2.066 1.999 2.204 . 0 0 "[ . 1]" 4
225 1 32 C H3' 1 33 C H6 . . 3.300 3.138 3.054 3.291 . 0 0 "[ . 1]" 4
226 1 33 C H2' 1 33 C H6 . . 4.000 3.821 3.748 3.900 . 0 0 "[ . 1]" 4
227 1 33 C H3' 1 33 C H6 . . 3.000 2.771 2.650 2.884 . 0 0 "[ . 1]" 4
228 1 33 C H3' 1 33 C H5'' . . 3.300 2.828 2.731 2.945 . 0 0 "[ . 1]" 4
229 1 33 C H4' 1 33 C H5' . . 2.700 2.410 2.363 2.468 . 0 0 "[ . 1]" 4
230 1 33 C H4' 1 33 C H5'' . . 2.700 2.455 2.396 2.504 . 0 0 "[ . 1]" 4
231 1 33 C H6 1 34 A H8 . . 5.000 4.997 4.975 5.009 0.009 9 0 "[ . 1]" 4
232 1 33 C H2' 1 34 A H8 . . 2.700 2.667 2.520 2.703 0.003 9 0 "[ . 1]" 4
233 1 33 C H3' 1 34 A H8 . . 3.300 2.792 2.596 2.927 . 0 0 "[ . 1]" 4
234 1 34 A H2' 1 34 A H8 . . 4.000 3.839 3.702 3.974 . 0 0 "[ . 1]" 4
235 1 34 A H3' 1 34 A H8 . . 3.000 2.865 2.750 3.001 0.001 5 0 "[ . 1]" 4
236 1 34 A H3' 1 34 A H5'' . . 3.300 2.714 2.589 2.792 . 0 0 "[ . 1]" 4
237 1 34 A H4' 1 34 A H5' . . 2.700 2.350 2.307 2.380 . 0 0 "[ . 1]" 4
238 1 34 A H4' 1 34 A H5'' . . 2.700 2.521 2.486 2.580 . 0 0 "[ . 1]" 4
239 1 34 A H3' 1 35 G H8 . . 3.300 3.264 3.192 3.301 0.001 6 0 "[ . 1]" 4
240 1 34 A H2 1 35 G H1' . . 5.000 4.174 3.627 4.974 . 0 0 "[ . 1]" 4
241 1 9 G H1' 1 34 A H2 . . 5.000 4.880 3.913 5.003 0.003 10 0 "[ . 1]" 4
242 1 35 G H2' 1 35 G H8 . . 4.000 3.832 3.304 4.003 0.003 4 0 "[ . 1]" 4
243 1 35 G H3' 1 35 G H8 . . 3.000 2.737 2.090 2.956 . 0 0 "[ . 1]" 4
244 1 35 G H3' 1 35 G H5'' . . 3.300 2.712 2.651 2.768 . 0 0 "[ . 1]" 4
245 1 35 G H4' 1 35 G H5' . . 2.700 2.365 2.337 2.390 . 0 0 "[ . 1]" 4
246 1 35 G H4' 1 35 G H5'' . . 2.700 2.502 2.473 2.538 . 0 0 "[ . 1]" 4
247 1 35 G H8 1 36 G H8 . . 5.000 4.882 4.707 5.004 0.004 6 0 "[ . 1]" 4
248 1 35 G H2' 1 36 G H8 . . 2.700 2.163 1.999 2.545 . 0 0 "[ . 1]" 4
249 1 35 G H3' 1 36 G H8 . . 3.300 3.291 3.238 3.309 0.009 9 0 "[ . 1]" 4
250 1 36 G H2' 1 36 G H8 . . 4.000 3.796 3.204 3.989 . 0 0 "[ . 1]" 4
251 1 36 G H3' 1 36 G H8 . . 3.000 2.745 2.231 2.993 . 0 0 "[ . 1]" 4
252 1 36 G H3' 1 36 G H5'' . . 3.300 3.034 2.745 3.141 . 0 0 "[ . 1]" 4
253 1 36 G H4' 1 36 G H5' . . 2.700 2.519 2.374 2.575 . 0 0 "[ . 1]" 4
254 1 36 G H4' 1 36 G H5'' . . 2.700 2.357 2.310 2.492 . 0 0 "[ . 1]" 4
255 1 36 G H8 1 37 A H8 . . 5.000 4.273 3.410 4.945 . 0 0 "[ . 1]" 4
256 1 36 G H2' 1 37 A H8 . . 2.700 2.543 2.006 2.699 . 0 0 "[ . 1]" 4
257 1 36 G H3' 1 37 A H8 . . 3.300 3.102 2.696 3.302 0.002 6 0 "[ . 1]" 4
258 1 37 A H2' 1 37 A H8 . . 4.000 3.695 3.598 3.932 . 0 0 "[ . 1]" 4
259 1 37 A H3' 1 37 A H8 . . 3.000 2.885 2.682 3.001 0.001 1 0 "[ . 1]" 4
260 1 37 A H3' 1 37 A H5'' . . 3.370 3.083 2.829 3.201 . 0 0 "[ . 1]" 4
261 1 37 A H4' 1 37 A H5' . . 2.700 2.544 2.410 2.588 . 0 0 "[ . 1]" 4
262 1 37 A H4' 1 37 A H5'' . . 2.700 2.335 2.301 2.452 . 0 0 "[ . 1]" 4
263 1 37 A H8 1 38 U H5 . . 5.000 2.982 2.634 3.246 . 0 0 "[ . 1]" 4
264 1 37 A H2' 1 38 U H6 . . 2.700 2.675 2.460 2.702 0.002 9 0 "[ . 1]" 4
265 1 37 A H3' 1 38 U H6 . . 3.370 2.980 2.298 3.371 0.001 4 0 "[ . 1]" 4
266 1 39 A H2' 1 39 A H8 . . 4.000 3.151 2.393 3.856 . 0 0 "[ . 1]" 4
267 1 39 A H3' 1 39 A H8 . . 3.000 2.498 2.002 2.994 . 0 0 "[ . 1]" 4
268 1 39 A H3' 1 39 A H5'' . . 3.390 2.812 2.606 3.149 . 0 0 "[ . 1]" 4
269 1 39 A H4' 1 39 A H5' . . 2.700 2.404 2.328 2.559 . 0 0 "[ . 1]" 4
270 1 39 A H4' 1 39 A H5'' . . 2.700 2.470 2.321 2.549 . 0 0 "[ . 1]" 4
271 1 40 A H2' 1 40 A H8 . . 4.000 2.910 2.303 3.640 . 0 0 "[ . 1]" 4
272 1 40 A H3' 1 40 A H8 . . 3.000 2.390 2.001 2.948 . 0 0 "[ . 1]" 4
273 1 40 A H3' 1 40 A H5'' . . 3.400 2.818 2.643 3.068 . 0 0 "[ . 1]" 4
274 1 40 A H4' 1 40 A H5' . . 2.700 2.398 2.336 2.495 . 0 0 "[ . 1]" 4
275 1 40 A H4' 1 40 A H5'' . . 2.700 2.469 2.371 2.540 . 0 0 "[ . 1]" 4
276 1 41 C H2' 1 41 C H6 . . 4.000 3.244 2.223 3.862 . 0 0 "[ . 1]" 4
277 1 41 C H3' 1 41 C H6 . . 3.000 2.640 2.082 2.954 . 0 0 "[ . 1]" 4
278 1 41 C H3' 1 41 C H5'' . . 3.300 2.942 2.767 3.094 . 0 0 "[ . 1]" 4
279 1 41 C H4' 1 41 C H5' . . 2.700 2.458 2.374 2.552 . 0 0 "[ . 1]" 4
280 1 41 C H4' 1 41 C H5'' . . 2.700 2.408 2.326 2.490 . 0 0 "[ . 1]" 4
281 1 42 C H2' 1 42 C H6 . . 4.000 3.476 2.255 3.903 . 0 0 "[ . 1]" 4
282 1 42 C H3' 1 42 C H6 . . 3.000 2.623 2.004 2.994 . 0 0 "[ . 1]" 4
283 1 42 C H3' 1 42 C H5'' . . 3.300 2.914 2.812 3.045 . 0 0 "[ . 1]" 4
284 1 42 C H4' 1 42 C H5' . . 2.700 2.448 2.393 2.540 . 0 0 "[ . 1]" 4
285 1 42 C H4' 1 42 C H5'' . . 2.700 2.416 2.335 2.470 . 0 0 "[ . 1]" 4
286 1 43 C H2' 1 43 C H6 . . 4.000 3.606 3.379 3.833 . 0 0 "[ . 1]" 4
287 1 43 C H3' 1 43 C H6 . . 3.000 2.757 2.426 2.974 . 0 0 "[ . 1]" 4
288 1 43 C H3' 1 43 C H5'' . . 3.300 2.909 2.780 3.029 . 0 0 "[ . 1]" 4
289 1 43 C H4' 1 43 C H5' . . 2.700 2.442 2.381 2.510 . 0 0 "[ . 1]" 4
290 1 43 C H4' 1 43 C H5'' . . 2.700 2.422 2.359 2.485 . 0 0 "[ . 1]" 4
291 1 44 U H2' 1 44 U H6 . . 4.000 3.347 2.240 3.798 . 0 0 "[ . 1]" 4
292 1 44 U H3' 1 44 U H6 . . 3.000 2.594 2.176 2.966 . 0 0 "[ . 1]" 4
293 1 44 U H3' 1 44 U H5'' . . 3.300 2.911 2.773 3.155 . 0 0 "[ . 1]" 4
294 1 44 U H4' 1 44 U H5' . . 2.700 2.443 2.377 2.563 . 0 0 "[ . 1]" 4
295 1 44 U H4' 1 44 U H5'' . . 2.700 2.423 2.318 2.490 . 0 0 "[ . 1]" 4
296 1 45 C H2' 1 45 C H6 . . 4.000 3.322 2.266 3.856 . 0 0 "[ . 1]" 4
297 1 45 C H3' 1 45 C H6 . . 3.000 2.604 1.973 2.920 . 0 0 "[ . 1]" 4
298 1 45 C H3' 1 45 C H5'' . . 3.300 2.908 2.679 3.090 . 0 0 "[ . 1]" 4
299 1 45 C H4' 1 45 C H5' . . 2.700 2.448 2.340 2.546 . 0 0 "[ . 1]" 4
300 1 45 C H4' 1 45 C H5'' . . 2.700 2.420 2.330 2.534 . 0 0 "[ . 1]" 4
301 1 46 A H2' 1 46 A H8 . . 4.000 2.692 1.958 3.423 . 0 0 "[ . 1]" 4
302 1 46 A H3' 1 46 A H8 . . 3.000 2.376 2.007 2.931 . 0 0 "[ . 1]" 4
303 1 46 A H3' 1 46 A H5'' . . 3.460 2.868 2.640 3.136 . 0 0 "[ . 1]" 4
304 1 46 A H4' 1 46 A H5' . . 2.700 2.432 2.344 2.567 . 0 0 "[ . 1]" 4
305 1 46 A H4' 1 46 A H5'' . . 2.700 2.436 2.317 2.528 . 0 0 "[ . 1]" 4
306 1 47 A H2' 1 47 A H8 . . 4.000 3.073 2.262 3.550 . 0 0 "[ . 1]" 4
307 1 47 A H3' 1 47 A H8 . . 3.000 2.294 2.021 2.714 . 0 0 "[ . 1]" 4
308 1 47 A H3' 1 47 A H5'' . . 3.470 2.870 2.723 2.977 . 0 0 "[ . 1]" 4
309 1 47 A H4' 1 47 A H5' . . 2.700 2.436 2.387 2.492 . 0 0 "[ . 1]" 4
310 1 47 A H4' 1 47 A H5'' . . 2.700 2.427 2.374 2.478 . 0 0 "[ . 1]" 4
311 1 48 A H2' 1 48 A H8 . . 4.000 2.870 2.351 3.473 . 0 0 "[ . 1]" 4
312 1 48 A H3' 1 48 A H8 . . 3.000 2.500 2.052 2.953 . 0 0 "[ . 1]" 4
313 1 48 A H3' 1 48 A H5'' . . 3.480 2.897 2.770 3.007 . 0 0 "[ . 1]" 4
314 1 48 A H4' 1 48 A H5' . . 2.700 2.439 2.388 2.481 . 0 0 "[ . 1]" 4
315 1 48 A H4' 1 48 A H5'' . . 2.700 2.425 2.383 2.477 . 0 0 "[ . 1]" 4
316 1 49 G H2' 1 49 G H8 . . 4.000 3.049 1.981 3.971 . 0 0 "[ . 1]" 4
317 1 49 G H3' 1 49 G H8 . . 3.000 2.288 2.005 2.908 . 0 0 "[ . 1]" 4
318 1 49 G H3' 1 49 G H5'' . . 3.300 2.860 2.732 2.966 . 0 0 "[ . 1]" 4
319 1 49 G H4' 1 49 G H5' . . 2.700 2.449 2.374 2.565 . 0 0 "[ . 1]" 4
320 1 49 G H4' 1 49 G H5'' . . 2.700 2.418 2.316 2.492 . 0 0 "[ . 1]" 4
321 1 50 U H2' 1 50 U H6 . . 4.000 3.217 2.257 3.636 . 0 0 "[ . 1]" 4
322 1 50 U H3' 1 50 U H6 . . 3.000 2.453 2.007 2.769 . 0 0 "[ . 1]" 4
323 1 50 U H3' 1 50 U H5'' . . 3.300 2.909 2.832 3.131 . 0 0 "[ . 1]" 4
324 1 50 U H4' 1 50 U H5' . . 2.700 2.441 2.391 2.547 . 0 0 "[ . 1]" 4
325 1 50 U H4' 1 50 U H5'' . . 2.700 2.424 2.332 2.474 . 0 0 "[ . 1]" 4
326 1 51 C H2' 1 51 C H6 . . 4.000 3.506 3.298 3.644 . 0 0 "[ . 1]" 4
327 1 51 C H3' 1 51 C H6 . . 3.000 2.722 2.475 2.958 . 0 0 "[ . 1]" 4
328 1 51 C H3' 1 51 C H5'' . . 3.300 3.099 2.972 3.207 . 0 0 "[ . 1]" 4
329 1 51 C H4' 1 51 C H5' . . 2.700 2.541 2.476 2.586 . 0 0 "[ . 1]" 4
330 1 51 C H4' 1 51 C H5'' . . 2.700 2.335 2.303 2.388 . 0 0 "[ . 1]" 4
331 1 52 G H2' 1 52 G H8 . . 4.000 3.999 3.982 4.004 0.004 2 0 "[ . 1]" 4
332 1 52 G H3' 1 52 G H8 . . 3.000 2.986 2.967 3.002 0.002 10 0 "[ . 1]" 4
333 1 52 G H8 1 53 G H8 . . 5.000 4.944 4.894 5.000 0.000 2 0 "[ . 1]" 4
334 1 52 G H2' 1 53 G H8 . . 2.700 2.061 2.002 2.107 . 0 0 "[ . 1]" 4
335 1 52 G H3' 1 53 G H8 . . 3.300 3.149 3.033 3.301 0.001 6 0 "[ . 1]" 4
336 1 53 G H2' 1 53 G H8 . . 4.000 3.978 3.932 4.001 0.001 9 0 "[ . 1]" 4
337 1 53 G H3' 1 53 G H8 . . 3.000 2.918 2.857 2.950 . 0 0 "[ . 1]" 4
338 1 53 G H3' 1 53 G H5'' . . 3.300 2.732 2.713 2.767 . 0 0 "[ . 1]" 4
339 1 53 G H4' 1 53 G H5' . . 2.700 2.374 2.366 2.393 . 0 0 "[ . 1]" 4
340 1 53 G H4' 1 53 G H5'' . . 2.700 2.493 2.472 2.503 . 0 0 "[ . 1]" 4
341 1 53 G H8 1 54 G H8 . . 5.000 4.943 4.860 5.000 . 0 0 "[ . 1]" 4
342 1 53 G H2' 1 54 G H8 . . 2.700 2.115 1.999 2.415 . 0 0 "[ . 1]" 4
343 1 53 G H3' 1 54 G H8 . . 3.300 3.257 3.121 3.300 0.000 4 0 "[ . 1]" 4
344 1 54 G H2' 1 54 G H8 . . 4.000 3.927 3.862 3.973 . 0 0 "[ . 1]" 4
345 1 54 G H3' 1 54 G H8 . . 3.000 2.857 2.761 2.919 . 0 0 "[ . 1]" 4
346 1 54 G H3' 1 54 G H5'' . . 3.300 2.789 2.720 2.939 . 0 0 "[ . 1]" 4
347 1 54 G H4' 1 54 G H5' . . 2.700 2.399 2.369 2.472 . 0 0 "[ . 1]" 4
348 1 54 G H4' 1 54 G H5'' . . 2.700 2.467 2.391 2.500 . 0 0 "[ . 1]" 4
349 1 54 G H8 1 55 G H8 . . 5.000 4.864 4.756 4.956 . 0 0 "[ . 1]" 4
350 1 54 G H2' 1 55 G H8 . . 2.700 2.033 2.000 2.117 . 0 0 "[ . 1]" 4
351 1 54 G H3' 1 55 G H8 . . 3.300 3.278 3.167 3.302 0.002 3 0 "[ . 1]" 4
352 1 55 G H2' 1 55 G H8 . . 4.000 3.871 3.777 3.980 . 0 0 "[ . 1]" 4
353 1 55 G H3' 1 55 G H8 . . 3.000 2.773 2.652 2.920 . 0 0 "[ . 1]" 4
354 1 55 G H3' 1 55 G H5'' . . 3.300 3.021 2.914 3.121 . 0 0 "[ . 1]" 4
355 1 55 G H4' 1 55 G H5' . . 2.700 2.521 2.470 2.570 . 0 0 "[ . 1]" 4
356 1 55 G H4' 1 55 G H5'' . . 2.700 2.351 2.314 2.395 . 0 0 "[ . 1]" 4
357 1 55 G H8 1 56 G H8 . . 5.000 4.906 4.785 4.991 . 0 0 "[ . 1]" 4
358 1 55 G H2' 1 56 G H8 . . 2.700 2.125 2.006 2.265 . 0 0 "[ . 1]" 4
359 1 55 G H3' 1 56 G H8 . . 3.300 3.252 3.137 3.301 0.001 10 0 "[ . 1]" 4
360 1 56 G H2' 1 56 G H8 . . 4.000 3.890 3.796 4.001 0.001 1 0 "[ . 1]" 4
361 1 56 G H3' 1 56 G H8 . . 3.000 2.794 2.667 2.954 . 0 0 "[ . 1]" 4
362 1 56 G H3' 1 56 G H5'' . . 3.300 2.914 2.732 3.069 . 0 0 "[ . 1]" 4
363 1 56 G H4' 1 56 G H5' . . 2.700 2.467 2.373 2.562 . 0 0 "[ . 1]" 4
364 1 56 G H4' 1 56 G H5'' . . 2.700 2.401 2.320 2.495 . 0 0 "[ . 1]" 4
365 1 56 G H8 1 57 G H8 . . 5.000 4.880 4.774 4.973 . 0 0 "[ . 1]" 4
366 1 56 G H2' 1 57 G H8 . . 2.700 2.290 2.013 2.701 0.001 1 0 "[ . 1]" 4
367 1 56 G H3' 1 57 G H8 . . 3.300 3.084 2.580 3.300 0.000 10 0 "[ . 1]" 4
368 1 57 G H2' 1 57 G H8 . . 4.000 3.881 3.653 4.000 0.000 2 0 "[ . 1]" 4
369 1 57 G H3' 1 57 G H8 . . 3.000 2.786 2.492 2.949 . 0 0 "[ . 1]" 4
370 1 57 G H3' 1 57 G H5'' . . 3.300 2.868 2.725 3.067 . 0 0 "[ . 1]" 4
371 1 57 G H4' 1 57 G H5' . . 2.700 2.447 2.369 2.560 . 0 0 "[ . 1]" 4
372 1 57 G H4' 1 57 G H5'' . . 2.700 2.423 2.321 2.498 . 0 0 "[ . 1]" 4
373 1 57 G H8 1 58 C H5 . . 5.000 3.198 2.976 3.432 . 0 0 "[ . 1]" 4
374 1 57 G H2' 1 58 C H6 . . 2.700 2.658 2.513 2.699 . 0 0 "[ . 1]" 4
375 1 57 G H3' 1 58 C H6 . . 3.300 3.084 2.751 3.300 0.000 1 0 "[ . 1]" 4
376 1 58 C H2' 1 58 C H6 . . 4.000 3.703 3.578 3.884 . 0 0 "[ . 1]" 4
377 1 58 C H3' 1 58 C H6 . . 3.000 2.698 2.551 2.943 . 0 0 "[ . 1]" 4
378 1 58 C H3' 1 58 C H5'' . . 3.300 2.906 2.799 3.154 . 0 0 "[ . 1]" 4
379 1 58 C H4' 1 58 C H5' . . 2.700 2.448 2.395 2.570 . 0 0 "[ . 1]" 4
380 1 58 C H4' 1 58 C H5'' . . 2.700 2.418 2.313 2.467 . 0 0 "[ . 1]" 4
381 1 58 C H6 1 59 A H8 . . 5.000 4.467 3.669 4.899 . 0 0 "[ . 1]" 4
382 1 58 C H2' 1 59 A H8 . . 2.700 2.380 2.045 2.674 . 0 0 "[ . 1]" 4
383 1 58 C H3' 1 59 A H8 . . 3.300 3.010 2.506 3.290 . 0 0 "[ . 1]" 4
384 1 59 A H3' 1 59 A H8 . . 3.000 2.877 2.623 2.990 . 0 0 "[ . 1]" 4
385 1 59 A H2' 1 59 A H8 . . 4.000 3.852 3.484 3.994 . 0 0 "[ . 1]" 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 4
_Distance_constraint_stats_list.Viol_count 8
_Distance_constraint_stats_list.Viol_total 0.148
_Distance_constraint_stats_list.Viol_max 0.003
_Distance_constraint_stats_list.Viol_rms 0.0009
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0004
_Distance_constraint_stats_list.Viol_average_violations_only 0.0018
_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 G 0.015 0.003 8 0 "[ . 1]"
1 6 U 0.000 0.000 . 0 "[ . 1]"
1 28 G 0.000 0.000 . 0 "[ . 1]"
1 30 A 0.012 0.003 8 0 "[ . 1]"
1 32 C 0.000 0.000 . 0 "[ . 1]"
1 33 C 0.003 0.003 2 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 5 G P 1 30 A P . 11.000 . 10.999 10.997 11.003 0.003 8 0 "[ . 1]" 5
2 1 5 G P 1 33 C P . 11.000 . 11.088 10.997 11.614 0.003 2 0 "[ . 1]" 5
3 1 6 U P 1 28 G P . 11.000 . 12.596 11.332 12.911 . 0 0 "[ . 1]" 5
4 1 6 U P 1 32 C P . 11.000 . 11.263 11.066 11.473 . 0 0 "[ . 1]" 5
stop_
save_
save_distance_constraint_statistics_6
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 6
_Distance_constraint_stats_list.Constraint_count 101
_Distance_constraint_stats_list.Viol_count 798
_Distance_constraint_stats_list.Viol_total 73.958
_Distance_constraint_stats_list.Viol_max 0.065
_Distance_constraint_stats_list.Viol_rms 0.0082
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0073
_Distance_constraint_stats_list.Viol_average_violations_only 0.0093
_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 G 0.210 0.014 9 0 "[ . 1]"
1 6 U 0.323 0.026 9 0 "[ . 1]"
1 7 C 0.337 0.022 9 0 "[ . 1]"
1 9 G 0.294 0.016 9 0 "[ . 1]"
1 10 G 0.312 0.015 9 0 "[ . 1]"
1 11 G 0.319 0.021 10 0 "[ . 1]"
1 12 U 0.683 0.033 1 0 "[ . 1]"
1 13 C 0.710 0.036 8 0 "[ . 1]"
1 14 A 0.482 0.036 1 0 "[ . 1]"
1 15 G 0.458 0.018 10 0 "[ . 1]"
1 16 G 1.024 0.065 8 0 "[ . 1]"
1 18 G 0.304 0.018 6 0 "[ . 1]"
1 19 C 0.306 0.015 9 0 "[ . 1]"
1 20 C 0.288 0.017 4 0 "[ . 1]"
1 21 C 0.263 0.015 4 0 "[ . 1]"
1 22 C 0.239 0.015 4 0 "[ . 1]"
1 23 C 0.232 0.010 1 0 "[ . 1]"
1 24 C 0.612 0.025 4 0 "[ . 1]"
1 25 C 0.477 0.022 5 0 "[ . 1]"
1 26 C 0.458 0.018 10 0 "[ . 1]"
1 27 U 0.482 0.036 1 0 "[ . 1]"
1 28 G 0.710 0.036 8 0 "[ . 1]"
1 30 A 0.683 0.033 1 0 "[ . 1]"
1 31 C 0.319 0.021 10 0 "[ . 1]"
1 32 C 0.312 0.015 9 0 "[ . 1]"
1 33 C 0.294 0.016 9 0 "[ . 1]"
1 36 G 0.337 0.022 9 0 "[ . 1]"
1 37 A 0.323 0.026 9 0 "[ . 1]"
1 38 U 0.210 0.014 9 0 "[ . 1]"
1 52 G 1.158 0.065 8 0 "[ . 1]"
1 53 G 0.232 0.010 1 0 "[ . 1]"
1 54 G 0.239 0.015 4 0 "[ . 1]"
1 55 G 0.263 0.015 4 0 "[ . 1]"
1 56 G 0.288 0.017 4 0 "[ . 1]"
1 57 G 0.306 0.015 9 0 "[ . 1]"
1 58 C 0.304 0.018 6 0 "[ . 1]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 5 G H1 1 38 U O2 . . 1.890 1.893 1.883 1.901 0.011 9 0 "[ . 1]" 6
2 1 5 G N1 1 38 U O2 . 2.900 3.000 2.894 2.889 2.901 0.011 7 0 "[ . 1]" 6
3 1 5 G O6 1 38 U H3 . . 1.890 1.895 1.889 1.904 0.014 9 0 "[ . 1]" 6
4 1 5 G O6 1 38 U N3 . 2.900 3.000 2.894 2.890 2.899 0.010 9 0 "[ . 1]" 6
5 1 6 U H3 1 37 A N1 . . 1.890 1.903 1.897 1.916 0.026 9 0 "[ . 1]" 6
6 1 6 U N3 1 37 A N1 . 2.900 3.000 2.894 2.891 2.904 0.009 10 0 "[ . 1]" 6
7 1 6 U O4 1 37 A H61 . . 1.890 1.896 1.889 1.906 0.016 8 0 "[ . 1]" 6
8 1 6 U O4 1 37 A N6 . 2.900 3.000 2.893 2.885 2.902 0.015 1 0 "[ . 1]" 6
9 1 7 C N3 1 36 G H1 . . 1.890 1.898 1.892 1.912 0.022 9 0 "[ . 1]" 6
10 1 7 C N3 1 36 G N1 . 2.900 3.000 2.903 2.895 2.911 0.005 6 0 "[ . 1]" 6
11 1 7 C O2 1 36 G H21 . . 1.890 1.894 1.885 1.905 0.015 8 0 "[ . 1]" 6
12 1 7 C O2 1 36 G N2 . 2.900 3.000 2.892 2.885 2.903 0.015 1 0 "[ . 1]" 6
13 1 7 C H41 1 36 G O6 . . 1.890 1.894 1.888 1.903 0.013 8 0 "[ . 1]" 6
14 1 7 C N4 1 36 G O6 . 2.900 3.000 2.892 2.886 2.903 0.014 1 0 "[ . 1]" 6
15 1 9 G H1 1 33 C N3 . . 1.890 1.893 1.885 1.905 0.015 10 0 "[ . 1]" 6
16 1 9 G N1 1 33 C N3 . 2.900 3.000 2.896 2.888 2.900 0.012 9 0 "[ . 1]" 6
17 1 9 G H21 1 33 C O2 . . 1.890 1.900 1.898 1.906 0.016 9 0 "[ . 1]" 6
18 1 9 G N2 1 33 C O2 . 2.900 3.000 2.900 2.893 2.909 0.007 3 0 "[ . 1]" 6
19 1 9 G O6 1 33 C H41 . . 1.890 1.897 1.893 1.901 0.011 5 0 "[ . 1]" 6
20 1 9 G O6 1 33 C N4 . 2.900 3.000 2.897 2.894 2.900 0.006 9 0 "[ . 1]" 6
21 1 10 G H1 1 32 C N3 . . 1.890 1.894 1.885 1.902 0.012 10 0 "[ . 1]" 6
22 1 10 G N1 1 32 C N3 . 2.900 3.000 2.897 2.887 2.906 0.013 9 0 "[ . 1]" 6
23 1 10 G H21 1 32 C O2 . . 1.890 1.898 1.888 1.904 0.014 1 0 "[ . 1]" 6
24 1 10 G N2 1 32 C O2 . 2.900 3.000 2.896 2.888 2.909 0.012 8 0 "[ . 1]" 6
25 1 10 G O6 1 32 C H41 . . 1.890 1.895 1.885 1.901 0.011 10 0 "[ . 1]" 6
26 1 10 G O6 1 32 C N4 . 2.900 3.000 2.896 2.885 2.903 0.015 9 0 "[ . 1]" 6
27 1 11 G H1 1 31 C N3 . . 1.890 1.893 1.885 1.901 0.011 1 0 "[ . 1]" 6
28 1 11 G N1 1 31 C N3 . 2.900 . 2.897 2.889 2.907 0.011 9 0 "[ . 1]" 6
29 1 11 G H21 1 31 C O2 . . 1.890 1.897 1.886 1.905 0.015 1 0 "[ . 1]" 6
30 1 11 G N2 1 31 C O2 . 2.900 3.000 2.896 2.881 2.911 0.019 8 0 "[ . 1]" 6
31 1 11 G O6 1 31 C H41 . . 1.890 1.895 1.881 1.911 0.021 10 0 "[ . 1]" 6
32 1 11 G O6 1 31 C N4 . 2.900 3.000 2.897 2.885 2.905 0.015 10 0 "[ . 1]" 6
33 1 12 U H3 1 30 A N1 . . 1.890 1.912 1.903 1.923 0.033 1 0 "[ . 1]" 6
34 1 12 U N3 1 30 A N1 . 2.900 3.000 2.891 2.877 2.897 0.023 8 0 "[ . 1]" 6
35 1 12 U O4 1 30 A H61 . . 1.890 1.912 1.905 1.920 0.030 1 0 "[ . 1]" 6
36 1 12 U O4 1 30 A N6 . 2.900 3.000 2.885 2.874 2.892 0.026 10 0 "[ . 1]" 6
37 1 13 C N3 1 28 G H1 . . 1.890 1.900 1.881 1.909 0.019 9 0 "[ . 1]" 6
38 1 13 C N3 1 28 G N1 . 2.900 3.000 2.891 2.883 2.900 0.017 8 0 "[ . 1]" 6
39 1 13 C O2 1 28 G H21 . . 1.890 1.903 1.887 1.920 0.030 10 0 "[ . 1]" 6
40 1 13 C O2 1 28 G N2 . 2.900 3.000 2.903 2.895 2.916 0.005 9 0 "[ . 1]" 6
41 1 13 C H41 1 28 G O6 . . 1.890 1.909 1.898 1.919 0.029 6 0 "[ . 1]" 6
42 1 13 C N4 1 28 G O6 . 2.900 3.000 2.882 2.864 2.897 0.036 8 0 "[ . 1]" 6
43 1 14 A N1 1 27 U H3 . . 1.890 1.894 1.890 1.897 0.007 1 0 "[ . 1]" 6
44 1 14 A N1 1 27 U N3 . 2.900 3.000 2.900 2.897 2.906 0.003 10 0 "[ . 1]" 6
45 1 14 A H61 1 27 U O4 . . 1.890 1.909 1.899 1.916 0.026 1 0 "[ . 1]" 6
46 1 14 A N6 1 27 U O4 . 2.900 3.000 2.875 2.864 2.884 0.036 1 0 "[ . 1]" 6
47 1 15 G H1 1 26 C N3 . . 1.890 1.895 1.888 1.901 0.011 5 0 "[ . 1]" 6
48 1 15 G N1 1 26 C N3 . 2.900 3.000 2.890 2.886 2.894 0.014 6 0 "[ . 1]" 6
49 1 15 G H21 1 26 C O2 . . 1.890 1.900 1.894 1.905 0.015 3 0 "[ . 1]" 6
50 1 15 G N2 1 26 C O2 . 2.900 3.000 2.906 2.900 2.910 . 0 0 "[ . 1]" 6
51 1 15 G O6 1 26 C H41 . . 1.890 1.903 1.901 1.908 0.018 10 0 "[ . 1]" 6
52 1 15 G O6 1 26 C N4 . 2.900 3.000 2.894 2.882 2.907 0.018 10 0 "[ . 1]" 6
53 1 16 G H1 1 25 C N3 . . 1.890 1.897 1.891 1.906 0.016 8 0 "[ . 1]" 6
54 1 16 G N1 1 25 C N3 . 2.900 3.000 2.903 2.900 2.907 0.000 1 0 "[ . 1]" 6
55 1 16 G H21 1 25 C O2 . . 1.890 1.905 1.899 1.911 0.021 9 0 "[ . 1]" 6
56 1 16 G N2 1 25 C O2 . 2.900 3.000 2.885 2.878 2.893 0.022 5 0 "[ . 1]" 6
57 1 16 G O6 1 25 C H41 . . 1.890 1.895 1.890 1.899 0.009 2 0 "[ . 1]" 6
58 1 16 G O6 1 25 C N4 . 2.900 3.000 2.895 2.887 2.906 0.013 3 0 "[ . 1]" 6
59 1 16 G H3' 1 52 G H8 . 5.000 . 4.945 4.935 4.959 0.065 8 0 "[ . 1]" 6
60 1 24 C N3 1 52 G H1 . . 1.890 1.905 1.892 1.915 0.025 4 0 "[ . 1]" 6
61 1 24 C N3 1 52 G N1 . 2.900 3.000 2.888 2.883 2.895 0.017 2 0 "[ . 1]" 6
62 1 24 C O2 1 52 G H21 . . 1.890 1.893 1.885 1.899 0.009 8 0 "[ . 1]" 6
63 1 24 C O2 1 52 G N2 . 2.900 3.000 2.892 2.888 2.897 0.012 9 0 "[ . 1]" 6
64 1 24 C H41 1 52 G O6 . . 1.890 1.900 1.891 1.909 0.019 4 0 "[ . 1]" 6
65 1 24 C N4 1 52 G O6 . 2.900 3.000 2.887 2.882 2.891 0.018 2 0 "[ . 1]" 6
66 1 23 C N3 1 53 G H1 . . 1.890 1.892 1.888 1.900 0.010 4 0 "[ . 1]" 6
67 1 23 C N3 1 53 G N1 . 2.900 3.000 2.896 2.893 2.906 0.007 1 0 "[ . 1]" 6
68 1 23 C O2 1 53 G H21 . . 1.890 1.893 1.889 1.899 0.009 4 0 "[ . 1]" 6
69 1 23 C O2 1 53 G N2 . 2.900 3.000 2.893 2.890 2.899 0.010 1 0 "[ . 1]" 6
70 1 23 C H41 1 53 G O6 . . 1.890 1.889 1.886 1.892 0.002 3 0 "[ . 1]" 6
71 1 23 C N4 1 53 G O6 . 2.900 3.000 2.895 2.891 2.899 0.009 1 0 "[ . 1]" 6
72 1 22 C N3 1 54 G H1 . . 1.890 1.894 1.884 1.902 0.012 4 0 "[ . 1]" 6
73 1 22 C N3 1 54 G N1 . 2.900 3.000 2.899 2.891 2.908 0.009 1 0 "[ . 1]" 6
74 1 22 C O2 1 54 G H21 . . 1.890 1.895 1.886 1.905 0.015 4 0 "[ . 1]" 6
75 1 22 C O2 1 54 G N2 . 2.900 3.000 2.893 2.885 2.901 0.015 1 0 "[ . 1]" 6
76 1 22 C H41 1 54 G O6 . . 1.890 1.890 1.882 1.898 0.008 4 0 "[ . 1]" 6
77 1 22 C N4 1 54 G O6 . 2.900 3.000 2.897 2.889 2.906 0.011 1 0 "[ . 1]" 6
78 1 21 C N3 1 55 G H1 . . 1.890 1.896 1.886 1.904 0.014 4 0 "[ . 1]" 6
79 1 21 C N3 1 55 G N1 . 2.900 3.000 2.901 2.891 2.910 0.009 1 0 "[ . 1]" 6
80 1 21 C O2 1 55 G H21 . . 1.890 1.898 1.885 1.905 0.015 4 0 "[ . 1]" 6
81 1 21 C O2 1 55 G N2 . 2.900 3.000 2.897 2.886 2.905 0.014 1 0 "[ . 1]" 6
82 1 21 C H41 1 55 G O6 . . 1.890 1.893 1.885 1.900 0.010 4 0 "[ . 1]" 6
83 1 21 C N4 1 55 G O6 . 2.900 3.000 2.899 2.889 2.906 0.011 1 0 "[ . 1]" 6
84 1 20 C N3 1 56 G H1 . . 1.890 1.899 1.891 1.904 0.014 4 0 "[ . 1]" 6
85 1 20 C N3 1 56 G N1 . 2.900 3.000 2.903 2.895 2.909 0.005 1 0 "[ . 1]" 6
86 1 20 C O2 1 56 G H21 . . 1.890 1.899 1.889 1.907 0.017 4 0 "[ . 1]" 6
87 1 20 C O2 1 56 G N2 . 2.900 3.000 2.899 2.889 2.906 0.011 1 0 "[ . 1]" 6
88 1 20 C H41 1 56 G O6 . . 1.890 1.896 1.890 1.902 0.012 7 0 "[ . 1]" 6
89 1 20 C N4 1 56 G O6 . 2.900 3.000 2.901 2.892 2.907 0.008 1 0 "[ . 1]" 6
90 1 19 C N3 1 57 G H1 . . 1.890 1.900 1.895 1.903 0.013 6 0 "[ . 1]" 6
91 1 19 C N3 1 57 G N1 . 2.900 3.000 2.904 2.899 2.907 0.001 8 0 "[ . 1]" 6
92 1 19 C O2 1 57 G H21 . . 1.890 1.901 1.894 1.905 0.015 9 0 "[ . 1]" 6
93 1 19 C O2 1 57 G N2 . 2.900 3.000 2.901 2.896 2.906 0.004 8 0 "[ . 1]" 6
94 1 19 C H41 1 57 G O6 . . 1.890 1.898 1.892 1.905 0.015 6 0 "[ . 1]" 6
95 1 19 C N4 1 57 G O6 . 2.900 3.000 2.904 2.898 2.908 0.002 8 0 "[ . 1]" 6
96 1 18 G H1 1 58 C N3 . . 1.890 1.901 1.895 1.908 0.018 6 0 "[ . 1]" 6
97 1 18 G N1 1 58 C N3 . 2.900 3.000 2.905 2.898 2.912 0.002 8 0 "[ . 1]" 6
98 1 18 G H21 1 58 C O2 . . 1.890 1.900 1.895 1.906 0.016 6 0 "[ . 1]" 6
99 1 18 G N2 1 58 C O2 . 2.900 3.000 2.901 2.895 2.907 0.005 2 0 "[ . 1]" 6
100 1 18 G O6 1 58 C H41 . . 1.890 1.898 1.891 1.905 0.015 6 0 "[ . 1]" 6
101 1 18 G O6 1 58 C N4 . 2.900 3.000 2.903 2.898 2.910 0.002 2 0 "[ . 1]" 6
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