NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
580946 |
2mqv   |
25052 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2mqv
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 34
_Distance_constraint_stats_list.Viol_count 132
_Distance_constraint_stats_list.Viol_total 53.858
_Distance_constraint_stats_list.Viol_max 0.166
_Distance_constraint_stats_list.Viol_rms 0.0286
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0158
_Distance_constraint_stats_list.Viol_average_violations_only 0.0408
_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
2 2 G 0.079 0.028 1 0 "[ . 1]"
2 3 G 0.237 0.049 9 0 "[ . 1]"
2 7 G 0.559 0.068 3 0 "[ . 1]"
2 8 G 0.383 0.048 1 0 "[ . 1]"
2 22 G 0.338 0.055 8 0 "[ . 1]"
2 23 A 0.000 0.000 . 0 "[ . 1]"
2 24 U 0.098 0.041 6 0 "[ . 1]"
2 25 U 0.589 0.079 4 0 "[ . 1]"
2 27 A 1.180 0.166 1 0 "[ . 1]"
2 28 C 0.778 0.109 4 0 "[ . 1]"
2 29 U 0.176 0.045 7 0 "[ . 1]"
2 31 C 0.063 0.043 8 0 "[ . 1]"
2 32 C 0.059 0.018 5 0 "[ . 1]"
2 33 C 0.223 0.054 6 0 "[ . 1]"
2 34 G 0.296 0.068 6 0 "[ . 1]"
2 35 U 0.327 0.071 2 0 "[ . 1]"
2 37 A 0.063 0.043 8 0 "[ . 1]"
2 38 G 0.327 0.071 2 0 "[ . 1]"
2 39 C 0.174 0.045 7 0 "[ . 1]"
2 40 G 0.296 0.068 6 0 "[ . 1]"
2 41 G 0.223 0.054 6 0 "[ . 1]"
2 42 G 0.059 0.018 5 0 "[ . 1]"
2 43 G 0.704 0.079 4 0 "[ . 1]"
2 44 G 0.007 0.004 8 0 "[ . 1]"
2 45 U 0.957 0.109 4 0 "[ . 1]"
2 46 C 1.318 0.166 1 0 "[ . 1]"
2 56 G 0.000 0.000 . 0 "[ . 1]"
2 57 G 0.335 0.048 1 0 "[ . 1]"
2 58 G 0.089 0.032 6 0 "[ . 1]"
2 59 G 0.620 0.068 3 0 "[ . 1]"
2 60 C 0.028 0.023 4 0 "[ . 1]"
2 61 U 0.114 0.037 1 0 "[ . 1]"
2 62 C 0.016 0.016 3 0 "[ . 1]"
2 63 G 0.057 0.028 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 2 31 C P 2 37 A H2 . . 16.000 14.755 12.984 16.043 0.043 8 0 "[ . 1]" 1
2 2 35 U O2 2 38 G H21 . . 2.300 2.205 1.870 2.371 0.071 2 0 "[ . 1]" 1
3 2 22 G P 2 46 C P . . 12.500 12.456 12.082 12.544 0.044 4 0 "[ . 1]" 1
4 2 22 G P 2 45 U P . . 9.500 9.456 9.147 9.555 0.055 8 0 "[ . 1]" 1
5 2 22 G P 2 44 G P . . 9.500 8.897 8.091 9.479 . 0 0 "[ . 1]" 1
6 2 22 G P 2 43 G P . . 12.500 11.903 10.813 12.521 0.021 9 0 "[ . 1]" 1
7 2 23 A P 2 45 U P . . 12.500 11.900 11.607 12.239 . 0 0 "[ . 1]" 1
8 2 23 A P 2 44 G P . . 9.500 9.121 8.781 9.419 . 0 0 "[ . 1]" 1
9 2 23 A P 2 43 G P . . 9.500 8.737 7.827 9.251 . 0 0 "[ . 1]" 1
10 2 24 U P 2 44 G P . . 12.500 12.179 11.829 12.504 0.004 8 0 "[ . 1]" 1
11 2 24 U P 2 43 G P . . 9.500 9.393 8.840 9.541 0.041 6 0 "[ . 1]" 1
12 2 25 U P 2 43 G P . . 12.500 12.559 12.528 12.579 0.079 4 0 "[ . 1]" 1
13 2 27 A P 2 46 C P . . 17.500 17.618 17.565 17.666 0.166 1 0 "[ . 1]" 1
14 2 28 C P 2 45 U P . . 17.500 17.578 17.560 17.609 0.109 4 0 "[ . 1]" 1
15 2 29 U P 2 44 G P . . 17.500 17.298 17.048 17.502 0.002 4 0 "[ . 1]" 1
16 2 32 C P 2 42 G P . . 17.500 17.488 17.385 17.518 0.018 5 0 "[ . 1]" 1
17 2 33 C P 2 41 G P . . 17.500 17.522 17.503 17.554 0.054 6 0 "[ . 1]" 1
18 2 34 G P 2 40 G P . . 17.500 17.530 17.506 17.568 0.068 6 0 "[ . 1]" 1
19 2 29 U P 2 39 C P . . 12.500 12.481 12.327 12.545 0.045 7 0 "[ . 1]" 1
20 2 2 G P 2 63 G P . . 12.500 11.694 10.040 12.528 0.028 1 0 "[ . 1]" 1
21 2 2 G P 2 62 C P . . 9.500 8.889 8.145 9.224 . 0 0 "[ . 1]" 1
22 2 2 G P 2 61 U P . . 9.500 8.538 7.100 9.491 . 0 0 "[ . 1]" 1
23 2 2 G P 2 60 C P . . 12.500 11.560 9.654 12.523 0.023 4 0 "[ . 1]" 1
24 2 3 G P 2 62 C P . . 12.500 11.799 10.238 12.516 0.016 3 0 "[ . 1]" 1
25 2 3 G P 2 61 U P . . 9.500 9.281 8.047 9.537 0.037 1 0 "[ . 1]" 1
26 2 3 G P 2 60 C P . . 9.500 8.723 7.497 9.505 0.005 9 0 "[ . 1]" 1
27 2 3 G P 2 59 G P . . 12.500 11.891 10.109 12.549 0.049 9 0 "[ . 1]" 1
28 2 7 G P 2 59 G P . . 12.500 12.552 12.526 12.568 0.068 3 0 "[ . 1]" 1
29 2 7 G P 2 58 G P . . 9.500 9.208 8.970 9.532 0.032 6 0 "[ . 1]" 1
30 2 7 G P 2 57 G P . . 9.500 7.424 6.909 8.338 . 0 0 "[ . 1]" 1
31 2 7 G P 2 56 G P . . 12.500 9.980 9.023 11.336 . 0 0 "[ . 1]" 1
32 2 8 G P 2 58 G P . . 12.500 12.422 12.070 12.520 0.020 3 0 "[ . 1]" 1
33 2 8 G P 2 57 G P . . 9.500 9.532 9.484 9.548 0.048 1 0 "[ . 1]" 1
34 2 8 G P 2 56 G P . . 9.500 8.948 8.092 9.420 . 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 143
_Distance_constraint_stats_list.Viol_count 172
_Distance_constraint_stats_list.Viol_total 126.409
_Distance_constraint_stats_list.Viol_max 0.266
_Distance_constraint_stats_list.Viol_rms 0.0331
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0088
_Distance_constraint_stats_list.Viol_average_violations_only 0.0735
_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 18 ARG 0.006 0.006 6 0 "[ . 1]"
1 19 SER 0.066 0.044 10 0 "[ . 1]"
1 20 GLN 1.011 0.153 6 0 "[ . 1]"
1 21 LEU 1.107 0.153 6 0 "[ . 1]"
1 22 ASP 0.000 0.000 . 0 "[ . 1]"
1 23 ARG 1.482 0.192 5 0 "[ . 1]"
1 24 ASP 1.393 0.192 5 0 "[ . 1]"
1 25 GLN 0.000 0.000 . 0 "[ . 1]"
1 26 CYS 0.000 0.000 . 0 "[ . 1]"
1 27 ALA 0.000 0.000 . 0 "[ . 1]"
1 28 TYR 0.773 0.119 1 0 "[ . 1]"
1 29 CYS 0.151 0.056 10 0 "[ . 1]"
1 30 LYS 0.070 0.044 10 0 "[ . 1]"
1 31 GLU 0.985 0.240 10 0 "[ . 1]"
1 32 LYS 0.000 0.000 . 0 "[ . 1]"
1 33 GLY 0.000 0.000 . 0 "[ . 1]"
1 34 HIS 2.902 0.240 10 0 "[ . 1]"
1 35 TRP 0.135 0.031 3 0 "[ . 1]"
1 36 ALA 0.017 0.013 2 0 "[ . 1]"
1 37 LYS 0.000 0.000 . 0 "[ . 1]"
1 38 ASP 0.826 0.142 9 0 "[ . 1]"
1 39 CYS 0.657 0.096 1 0 "[ . 1]"
1 40 PRO 1.554 0.149 8 0 "[ . 1]"
1 41 LYS 0.304 0.099 5 0 "[ . 1]"
1 42 LYS 0.536 0.119 1 0 "[ . 1]"
1 43 PRO 0.118 0.036 9 0 "[ . 1]"
1 44 ARG 0.427 0.218 5 0 "[ . 1]"
1 45 GLY 0.427 0.218 5 0 "[ . 1]"
1 47 ARG 0.337 0.160 7 0 "[ . 1]"
1 48 GLY 0.397 0.160 7 0 "[ . 1]"
1 49 PRO 0.537 0.180 6 0 "[ . 1]"
1 50 ARG 0.704 0.180 6 0 "[ . 1]"
1 51 PRO 0.227 0.097 6 0 "[ . 1]"
2 15 U 1.784 0.245 4 0 "[ . 1]"
2 16 C 0.000 0.000 . 0 "[ . 1]"
2 17 U 1.729 0.266 1 0 "[ . 1]"
2 18 G 0.382 0.065 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 18 ARG QD 1 21 LEU MD1 . . 4.600 3.683 2.560 4.606 0.006 6 0 "[ . 1]" 2
2 1 18 ARG QB 1 21 LEU MD1 . . 4.600 3.014 2.162 3.930 . 0 0 "[ . 1]" 2
3 1 19 SER QB 1 30 LYS QE . . 6.300 5.357 2.576 6.344 0.044 10 0 "[ . 1]" 2
4 1 20 GLN HA 1 21 LEU H . . 2.700 2.801 2.707 2.853 0.153 6 0 "[ . 1]" 2
5 1 21 LEU HA 1 22 ASP H . . 2.700 2.227 2.092 2.379 . 0 0 "[ . 1]" 2
6 1 21 LEU HA 1 21 LEU MD2 . . 3.300 2.388 2.098 3.053 . 0 0 "[ . 1]" 2
7 1 21 LEU MD2 1 22 ASP H . . 3.800 2.656 1.846 3.271 . 0 0 "[ . 1]" 2
8 1 21 LEU MD2 1 23 ARG HA . . 5.500 4.639 3.846 5.544 0.044 1 0 "[ . 1]" 2
9 1 21 LEU MD2 1 25 GLN QB . . 4.600 2.812 2.064 4.564 . 0 0 "[ . 1]" 2
10 1 21 LEU MD1 1 27 ALA MB . . 5.500 2.930 2.191 4.155 . 0 0 "[ . 1]" 2
11 1 21 LEU MD2 1 27 ALA MB . . 5.500 3.207 2.590 3.995 . 0 0 "[ . 1]" 2
12 1 21 LEU MD2 1 30 LYS QE . . 6.300 4.632 2.630 6.109 . 0 0 "[ . 1]" 2
13 1 22 ASP HA 1 23 ARG H . . 2.700 2.383 2.262 2.506 . 0 0 "[ . 1]" 2
14 1 22 ASP H 1 25 GLN QB . . 3.500 2.515 2.146 3.121 . 0 0 "[ . 1]" 2
15 1 23 ARG H 1 24 ASP H . . 2.700 2.839 2.801 2.892 0.192 5 0 "[ . 1]" 2
16 1 23 ARG HA 1 25 GLN H . . 5.000 3.634 3.433 3.789 . 0 0 "[ . 1]" 2
17 1 23 ARG HA 1 35 TRP HE1 . . 5.000 3.404 3.137 3.615 . 0 0 "[ . 1]" 2
18 1 23 ARG HA 1 35 TRP HZ2 . . 5.000 3.073 2.620 3.386 . 0 0 "[ . 1]" 2
19 1 23 ARG QG 1 35 TRP HZ2 . . 5.800 2.799 2.199 4.282 . 0 0 "[ . 1]" 2
20 1 23 ARG QD 1 35 TRP HZ2 . . 5.800 3.653 2.127 4.682 . 0 0 "[ . 1]" 2
21 1 24 ASP H 1 25 GLN H . . 2.700 2.247 2.019 2.413 . 0 0 "[ . 1]" 2
22 1 24 ASP HA 1 35 TRP HE1 . . 5.000 3.131 2.763 3.516 . 0 0 "[ . 1]" 2
23 1 24 ASP HA 1 35 TRP HD1 . . 5.000 3.817 3.344 4.253 . 0 0 "[ . 1]" 2
24 1 24 ASP QB 1 33 GLY H . . 5.500 3.994 3.239 4.423 . 0 0 "[ . 1]" 2
25 1 25 GLN HA 1 26 CYS H . . 2.700 2.386 2.323 2.459 . 0 0 "[ . 1]" 2
26 1 25 GLN HA 1 32 LYS HA . . 5.000 2.166 2.059 2.275 . 0 0 "[ . 1]" 2
27 1 25 GLN HA 1 33 GLY H . . 5.000 3.382 2.970 3.567 . 0 0 "[ . 1]" 2
28 1 25 GLN H 1 35 TRP HE1 . . 5.000 4.143 3.819 4.340 . 0 0 "[ . 1]" 2
29 1 26 CYS HA 1 27 ALA H . . 2.700 2.221 2.194 2.261 . 0 0 "[ . 1]" 2
30 1 26 CYS HA 1 26 CYS HB2 . . 2.700 2.422 2.408 2.434 . 0 0 "[ . 1]" 2
31 1 26 CYS H 1 26 CYS HB3 . . 2.700 2.334 2.255 2.427 . 0 0 "[ . 1]" 2
32 1 26 CYS HA 1 28 TYR H . . 5.000 3.728 3.639 3.854 . 0 0 "[ . 1]" 2
33 1 26 CYS HA 1 35 TRP HA . . 3.300 2.195 2.108 2.306 . 0 0 "[ . 1]" 2
34 1 26 CYS H 1 32 LYS HA . . 5.000 3.679 3.429 3.845 . 0 0 "[ . 1]" 2
35 1 26 CYS HB3 1 30 LYS H . . 3.300 2.770 2.502 2.989 . 0 0 "[ . 1]" 2
36 1 26 CYS HB3 1 31 GLU H . . 3.300 2.532 2.391 2.855 . 0 0 "[ . 1]" 2
37 1 26 CYS HB3 1 29 CYS H . . 3.300 3.040 2.887 3.164 . 0 0 "[ . 1]" 2
38 1 26 CYS HB2 1 34 HIS HD2 . . 3.300 2.730 2.577 2.880 . 0 0 "[ . 1]" 2
39 1 26 CYS HA 1 36 ALA H . . 5.000 2.757 2.599 3.133 . 0 0 "[ . 1]" 2
40 1 27 ALA H 1 28 TYR H . . 2.900 2.791 2.729 2.872 . 0 0 "[ . 1]" 2
41 1 27 ALA MB 1 28 TYR H . . 5.500 3.061 2.804 3.300 . 0 0 "[ . 1]" 2
42 1 27 ALA MB 1 36 ALA MB . . 4.300 2.318 2.221 2.463 . 0 0 "[ . 1]" 2
43 1 27 ALA H 1 36 ALA MB . . 5.500 2.558 2.376 2.907 . 0 0 "[ . 1]" 2
44 1 27 ALA HA 1 30 LYS H . . 5.000 4.275 4.144 4.362 . 0 0 "[ . 1]" 2
45 1 27 ALA HA 1 30 LYS QE . . 5.800 4.105 3.519 5.040 . 0 0 "[ . 1]" 2
46 1 28 TYR H 1 29 CYS H . . 2.900 2.563 2.279 2.770 . 0 0 "[ . 1]" 2
47 1 28 TYR H 1 28 TYR HB2 . . 2.700 2.630 2.467 2.725 0.025 10 0 "[ . 1]" 2
48 1 28 TYR H 1 36 ALA HA . . 5.000 3.347 3.238 3.546 . 0 0 "[ . 1]" 2
49 1 28 TYR H 1 36 ALA MB . . 5.500 2.230 1.969 2.516 . 0 0 "[ . 1]" 2
50 1 28 TYR HB2 1 36 ALA MB . . 5.500 2.270 2.166 2.457 . 0 0 "[ . 1]" 2
51 1 28 TYR QD 1 41 LYS QB . . 5.900 4.111 3.393 5.592 . 0 0 "[ . 1]" 2
52 1 28 TYR QE 1 41 LYS QD . . 5.900 4.267 3.392 5.313 . 0 0 "[ . 1]" 2
53 1 28 TYR QE 1 41 LYS QE . . 5.900 5.122 3.183 5.618 . 0 0 "[ . 1]" 2
54 1 28 TYR QE 1 42 LYS HA . . 5.100 3.405 2.921 3.874 . 0 0 "[ . 1]" 2
55 1 28 TYR QE 1 43 PRO HD2 . . 5.100 4.787 3.617 5.123 0.023 10 0 "[ . 1]" 2
56 1 28 TYR QE 1 43 PRO HD3 . . 5.100 4.464 2.600 5.106 0.006 10 0 "[ . 1]" 2
57 1 28 TYR HD1 1 42 LYS QG . . 5.800 5.661 5.209 5.862 0.062 7 0 "[ . 1]" 2
58 1 28 TYR HD1 1 42 LYS QE . . 5.800 5.161 4.396 5.838 0.038 6 0 "[ . 1]" 2
59 1 28 TYR HE1 1 42 LYS QE . . 5.800 5.532 4.703 5.919 0.119 1 0 "[ . 1]" 2
60 1 29 CYS H 1 30 LYS H . . 2.900 2.184 2.059 2.442 . 0 0 "[ . 1]" 2
61 1 28 TYR HB3 1 29 CYS H . . 2.700 2.661 2.389 2.756 0.056 10 0 "[ . 1]" 2
62 1 29 CYS H 1 29 CYS HB3 . . 3.300 2.803 2.600 2.896 . 0 0 "[ . 1]" 2
63 1 29 CYS HB2 1 31 GLU H . . 5.000 4.171 4.062 4.247 . 0 0 "[ . 1]" 2
64 1 29 CYS HA 1 29 CYS HB2 . . 2.700 2.282 2.265 2.310 . 0 0 "[ . 1]" 2
65 1 29 CYS HA 1 29 CYS HB3 . . 2.700 2.588 2.560 2.613 . 0 0 "[ . 1]" 2
66 1 29 CYS HB2 1 41 LYS QD . . 4.100 2.953 2.437 3.765 . 0 0 "[ . 1]" 2
67 1 29 CYS HB3 1 41 LYS QD . . 4.100 3.075 2.352 3.701 . 0 0 "[ . 1]" 2
68 1 30 LYS H 1 31 GLU H . . 2.900 2.864 2.823 2.904 0.004 10 0 "[ . 1]" 2
69 1 31 GLU HA 1 32 LYS H . . 2.700 2.491 2.358 2.600 . 0 0 "[ . 1]" 2
70 1 31 GLU H 1 31 GLU HB2 . . 2.700 2.369 2.292 2.502 . 0 0 "[ . 1]" 2
71 1 31 GLU HB2 1 34 HIS HE1 . . 2.700 2.662 2.380 2.940 0.240 10 0 "[ . 1]" 2
72 1 31 GLU HB3 1 34 HIS HE1 . . 2.700 2.658 2.198 2.775 0.075 7 0 "[ . 1]" 2
73 1 32 LYS HA 1 33 GLY H . . 2.700 2.215 2.108 2.316 . 0 0 "[ . 1]" 2
74 1 33 GLY H 1 34 HIS H . . 2.900 2.470 2.210 2.704 . 0 0 "[ . 1]" 2
75 1 34 HIS HA 1 35 TRP H . . 2.700 2.476 2.370 2.514 . 0 0 "[ . 1]" 2
76 1 34 HIS HA 1 34 HIS HB2 . . 2.700 2.435 2.413 2.446 . 0 0 "[ . 1]" 2
77 1 34 HIS HA 1 34 HIS HB3 . . 2.700 2.477 2.465 2.488 . 0 0 "[ . 1]" 2
78 1 34 HIS HB2 1 34 HIS HD2 . . 3.300 2.744 2.704 2.795 . 0 0 "[ . 1]" 2
79 1 34 HIS HB2 1 35 TRP H . . 2.700 2.319 2.205 2.540 . 0 0 "[ . 1]" 2
80 1 34 HIS HD2 1 36 ALA HA . . 5.000 3.857 3.669 4.007 . 0 0 "[ . 1]" 2
81 1 34 HIS HD2 1 39 CYS HA . . 3.300 2.428 2.322 2.515 . 0 0 "[ . 1]" 2
82 1 34 HIS HD2 1 39 CYS HB2 . . 3.300 3.364 3.339 3.396 0.096 1 0 "[ . 1]" 2
83 1 34 HIS HD2 1 39 CYS H . . 5.000 3.777 3.689 3.889 . 0 0 "[ . 1]" 2
84 1 34 HIS HB2 1 39 CYS HA . . 5.000 4.231 4.110 4.474 . 0 0 "[ . 1]" 2
85 1 34 HIS HB2 1 38 ASP HB3 . . 3.300 2.933 2.441 3.323 0.023 10 0 "[ . 1]" 2
86 1 34 HIS HE1 1 40 PRO HD2 . . 3.300 3.200 2.868 3.339 0.039 5 0 "[ . 1]" 2
87 1 34 HIS HE1 1 40 PRO HD3 . . 3.300 3.416 3.368 3.449 0.149 8 0 "[ . 1]" 2
88 1 35 TRP H 1 35 TRP HD1 . . 3.300 3.275 3.070 3.331 0.031 3 0 "[ . 1]" 2
89 1 35 TRP HA 1 35 TRP HD1 . . 3.300 2.962 2.836 3.044 . 0 0 "[ . 1]" 2
90 1 35 TRP HB2 1 35 TRP HD1 . . 3.300 3.257 3.169 3.319 0.019 2 0 "[ . 1]" 2
91 1 35 TRP HA 1 36 ALA H . . 2.700 2.441 2.400 2.488 . 0 0 "[ . 1]" 2
92 1 35 TRP H 1 38 ASP HB2 . . 5.000 3.474 2.397 4.353 . 0 0 "[ . 1]" 2
93 1 35 TRP H 1 38 ASP HB3 . . 5.000 3.408 2.753 4.268 . 0 0 "[ . 1]" 2
94 1 35 TRP HE3 1 37 LYS QE . . 5.800 3.632 2.524 4.551 . 0 0 "[ . 1]" 2
95 1 36 ALA H 1 37 LYS H . . 3.300 2.885 2.764 2.969 . 0 0 "[ . 1]" 2
96 1 36 ALA HA 1 39 CYS HB2 . . 2.700 2.159 2.049 2.239 . 0 0 "[ . 1]" 2
97 1 36 ALA HA 1 39 CYS H . . 3.300 3.255 3.181 3.313 0.013 2 0 "[ . 1]" 2
98 1 36 ALA MB 1 37 LYS H . . 3.800 2.642 2.568 2.780 . 0 0 "[ . 1]" 2
99 1 37 LYS H 1 38 ASP H . . 2.900 2.800 2.732 2.863 . 0 0 "[ . 1]" 2
100 1 37 LYS H 1 37 LYS HB2 . . 3.300 2.504 2.214 2.679 . 0 0 "[ . 1]" 2
101 1 37 LYS HA 1 37 LYS HB3 . . 2.700 2.489 2.383 2.650 . 0 0 "[ . 1]" 2
102 1 37 LYS HA 1 42 LYS QE . . 5.800 4.162 2.525 5.036 . 0 0 "[ . 1]" 2
103 1 38 ASP H 1 39 CYS H . . 2.900 2.221 2.050 2.374 . 0 0 "[ . 1]" 2
104 1 38 ASP H 1 38 ASP HB2 . . 2.700 2.760 2.619 2.842 0.142 9 0 "[ . 1]" 2
105 1 39 CYS HA 1 40 PRO HD2 . . 2.700 2.369 2.283 2.704 0.004 10 0 "[ . 1]" 2
106 1 39 CYS HA 1 40 PRO HD3 . . 2.700 2.351 2.070 2.434 . 0 0 "[ . 1]" 2
107 1 39 CYS H 1 39 CYS HB2 . . 2.700 2.412 2.348 2.443 . 0 0 "[ . 1]" 2
108 1 39 CYS HA 1 39 CYS HB2 . . 2.700 2.391 2.363 2.416 . 0 0 "[ . 1]" 2
109 1 39 CYS QB 1 42 LYS QG . . 4.300 2.677 2.197 4.114 . 0 0 "[ . 1]" 2
110 1 40 PRO HD2 1 41 LYS H . . 2.700 2.720 2.615 2.799 0.099 5 0 "[ . 1]" 2
111 1 41 LYS H 1 42 LYS H . . 2.900 2.485 2.392 2.606 . 0 0 "[ . 1]" 2
112 1 42 LYS HA 1 43 PRO HD2 . . 2.700 2.487 2.233 2.736 0.036 9 0 "[ . 1]" 2
113 1 42 LYS HA 1 43 PRO HD3 . . 2.700 2.321 2.047 2.563 . 0 0 "[ . 1]" 2
114 1 44 ARG HA 1 45 GLY H . . 2.700 2.569 2.202 2.918 0.218 5 0 "[ . 1]" 2
115 1 47 ARG HA 1 48 GLY H . . 2.700 2.504 2.224 2.860 0.160 7 0 "[ . 1]" 2
116 1 48 GLY QA 1 49 PRO HD2 . . 3.200 2.391 2.105 2.927 . 0 0 "[ . 1]" 2
117 1 48 GLY QA 1 49 PRO HD3 . . 3.200 2.656 2.276 3.253 0.053 2 0 "[ . 1]" 2
118 1 49 PRO HA 1 50 ARG H . . 2.700 2.540 2.165 2.880 0.180 6 0 "[ . 1]" 2
119 1 50 ARG HA 1 51 PRO HD2 . . 2.700 2.420 2.146 2.780 0.080 4 0 "[ . 1]" 2
120 1 50 ARG HA 1 51 PRO HD3 . . 2.700 2.459 2.093 2.797 0.097 6 0 "[ . 1]" 2
121 2 15 U H2' 2 15 U H6 . . 4.000 2.364 2.136 2.640 . 0 0 "[ . 1]" 2
122 2 15 U H3' 2 15 U H6 . . 3.000 3.054 2.259 3.222 0.222 2 0 "[ . 1]" 2
123 2 15 U H3' 2 15 U H5'' . . 3.300 2.743 2.417 3.334 0.034 10 0 "[ . 1]" 2
124 2 15 U H4' 2 15 U H5' . . 2.700 2.447 2.312 2.781 0.081 10 0 "[ . 1]" 2
125 2 15 U H4' 2 15 U H5'' . . 2.700 2.543 2.364 2.945 0.245 4 0 "[ . 1]" 2
126 2 16 C H2' 2 16 C H6 . . 4.000 3.610 3.259 3.878 . 0 0 "[ . 1]" 2
127 2 16 C H3' 2 16 C H6 . . 3.000 2.629 2.348 2.940 . 0 0 "[ . 1]" 2
128 2 16 C H3' 2 16 C H5'' . . 3.300 3.013 2.912 3.132 . 0 0 "[ . 1]" 2
129 2 16 C H4' 2 16 C H5' . . 2.700 2.464 2.382 2.486 . 0 0 "[ . 1]" 2
130 2 16 C H4' 2 16 C H5'' . . 2.700 2.418 2.381 2.474 . 0 0 "[ . 1]" 2
131 2 16 C H4' 2 17 U H5 . . 5.000 3.707 2.753 4.896 . 0 0 "[ . 1]" 2
132 2 17 U H2' 2 17 U H6 . . 4.000 2.138 2.027 2.329 . 0 0 "[ . 1]" 2
133 2 17 U H3' 2 17 U H6 . . 3.000 2.749 2.422 3.091 0.091 2 0 "[ . 1]" 2
134 2 17 U H3' 2 17 U H5'' . . 3.300 2.859 2.443 3.280 . 0 0 "[ . 1]" 2
135 2 17 U H4' 2 17 U H5' . . 2.700 2.489 2.374 2.683 . 0 0 "[ . 1]" 2
136 2 17 U H4' 2 17 U H5'' . . 2.700 2.668 2.370 2.966 0.266 1 0 "[ . 1]" 2
137 2 17 U H2' 2 18 G H8 . . 5.000 4.620 3.834 5.032 0.032 4 0 "[ . 1]" 2
138 2 17 U H3' 2 18 G H8 . . 3.300 3.297 3.147 3.362 0.062 8 0 "[ . 1]" 2
139 2 18 G H2' 2 18 G H8 . . 4.000 3.427 3.097 3.647 . 0 0 "[ . 1]" 2
140 2 18 G H3' 2 18 G H8 . . 3.000 2.589 2.356 3.065 0.065 1 0 "[ . 1]" 2
141 2 18 G H3' 2 18 G H5'' . . 3.300 3.036 2.659 3.222 . 0 0 "[ . 1]" 2
142 2 18 G H4' 2 18 G H5' . . 2.700 2.463 2.397 2.534 . 0 0 "[ . 1]" 2
143 2 18 G H4' 2 18 G H5'' . . 2.700 2.414 2.324 2.509 . 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 299
_Distance_constraint_stats_list.Viol_count 439
_Distance_constraint_stats_list.Viol_total 240.785
_Distance_constraint_stats_list.Viol_max 0.939
_Distance_constraint_stats_list.Viol_rms 0.0400
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0081
_Distance_constraint_stats_list.Viol_average_violations_only 0.0548
_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
2 1 G 0.454 0.049 9 0 "[ . 1]"
2 2 G 0.335 0.045 8 0 "[ . 1]"
2 3 G 0.207 0.025 6 0 "[ . 1]"
2 4 C 0.059 0.024 5 0 "[ . 1]"
2 5 G 0.648 0.112 3 0 "[ . 1]"
2 6 A 1.091 0.112 3 0 "[ . 1]"
2 7 G 0.950 0.068 1 0 "[ . 1]"
2 8 G 0.689 0.064 3 0 "[ . 1]"
2 9 G 0.453 0.256 8 0 "[ . 1]"
2 10 U 0.723 0.100 5 0 "[ . 1]"
2 11 C 0.788 0.100 5 0 "[ . 1]"
2 12 U 1.175 0.140 3 0 "[ . 1]"
2 13 C 1.441 0.140 3 0 "[ . 1]"
2 14 C 0.336 0.057 2 0 "[ . 1]"
2 19 A 0.023 0.013 9 0 "[ . 1]"
2 20 G 0.778 0.268 7 0 "[ . 1]"
2 21 U 0.540 0.069 10 0 "[ . 1]"
2 22 G 0.483 0.069 10 0 "[ . 1]"
2 23 A 0.903 0.094 7 0 "[ . 1]"
2 24 U 0.823 0.094 7 0 "[ . 1]"
2 25 U 0.000 0.000 . 0 "[ . 1]"
2 26 G 0.156 0.036 1 0 "[ . 1]"
2 27 A 0.464 0.043 6 0 "[ . 1]"
2 28 C 0.438 0.043 6 0 "[ . 1]"
2 29 U 5.460 0.422 4 0 "[ . 1]"
2 30 A 6.256 0.422 4 0 "[ . 1]"
2 31 C 1.521 0.145 2 0 "[ . 1]"
2 32 C 0.484 0.076 7 0 "[ . 1]"
2 33 C 0.336 0.076 7 0 "[ . 1]"
2 34 G 0.788 0.081 6 0 "[ . 1]"
2 35 U 1.633 0.140 6 0 "[ . 1]"
2 36 C 2.330 0.140 6 0 "[ . 1]"
2 37 A 1.685 0.128 6 0 "[ . 1]"
2 38 G 4.330 0.939 7 2 "[ .-+ 1]"
2 39 C 1.926 0.226 10 0 "[ . 1]"
2 43 G 1.608 0.230 4 0 "[ . 1]"
2 44 G 0.000 0.000 . 0 "[ . 1]"
2 46 C 0.000 0.000 . 0 "[ . 1]"
2 50 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 2 1 G H2' 2 1 G H8 . . 4.000 4.040 4.029 4.049 0.049 9 0 "[ . 1]" 3
2 2 1 G H3' 2 1 G H8 . . 3.000 2.841 2.796 2.881 . 0 0 "[ . 1]" 3
3 2 1 G H3' 2 1 G H5'' . . 3.300 3.082 3.060 3.144 . 0 0 "[ . 1]" 3
4 2 1 G H4' 2 1 G H5' . . 2.700 2.469 2.464 2.485 . 0 0 "[ . 1]" 3
5 2 1 G H4' 2 1 G H5'' . . 2.700 2.404 2.386 2.415 . 0 0 "[ . 1]" 3
6 2 1 G H8 2 2 G H8 . . 5.000 4.914 4.874 4.964 . 0 0 "[ . 1]" 3
7 2 1 G H2' 2 2 G H8 . . 2.700 2.275 2.216 2.389 . 0 0 "[ . 1]" 3
8 2 1 G H3' 2 2 G H8 . . 3.300 3.294 3.251 3.314 0.014 8 0 "[ . 1]" 3
9 2 2 G H2' 2 2 G H8 . . 4.000 4.017 3.944 4.045 0.045 8 0 "[ . 1]" 3
10 2 2 G H3' 2 2 G H8 . . 3.000 2.813 2.729 2.862 . 0 0 "[ . 1]" 3
11 2 2 G H3' 2 2 G H5'' . . 3.300 2.991 2.965 3.011 . 0 0 "[ . 1]" 3
12 2 2 G H4' 2 2 G H5' . . 2.700 2.428 2.419 2.440 . 0 0 "[ . 1]" 3
13 2 2 G H4' 2 2 G H5'' . . 2.700 2.450 2.442 2.456 . 0 0 "[ . 1]" 3
14 2 2 G H8 2 3 G H8 . . 5.000 4.854 4.794 4.937 . 0 0 "[ . 1]" 3
15 2 2 G H2' 2 3 G H8 . . 2.700 2.281 2.224 2.380 . 0 0 "[ . 1]" 3
16 2 2 G H3' 2 3 G H8 . . 3.300 3.302 3.273 3.325 0.025 6 0 "[ . 1]" 3
17 2 3 G H2' 2 3 G H8 . . 4.000 4.006 3.917 4.024 0.024 8 0 "[ . 1]" 3
18 2 3 G H3' 2 3 G H8 . . 3.000 2.891 2.797 2.961 . 0 0 "[ . 1]" 3
19 2 3 G H3' 2 3 G H5'' . . 3.300 2.941 2.894 2.973 . 0 0 "[ . 1]" 3
20 2 3 G H4' 2 3 G H5' . . 2.700 2.425 2.410 2.434 . 0 0 "[ . 1]" 3
21 2 3 G H4' 2 3 G H5'' . . 2.700 2.458 2.449 2.471 . 0 0 "[ . 1]" 3
22 2 3 G H8 2 4 C H6 . . 5.000 4.877 4.757 5.001 0.001 1 0 "[ . 1]" 3
23 2 3 G H2' 2 4 C H6 . . 2.700 2.335 2.271 2.569 . 0 0 "[ . 1]" 3
24 2 3 G H3' 2 4 C H6 . . 3.300 3.246 3.164 3.303 0.003 3 0 "[ . 1]" 3
25 2 4 C H2' 2 4 C H6 . . 4.000 3.780 3.582 3.898 . 0 0 "[ . 1]" 3
26 2 4 C H3' 2 4 C H6 . . 3.000 2.569 2.477 2.693 . 0 0 "[ . 1]" 3
27 2 4 C H3' 2 4 C H5'' . . 3.300 3.020 2.987 3.042 . 0 0 "[ . 1]" 3
28 2 4 C H4' 2 4 C H5' . . 2.700 2.440 2.421 2.467 . 0 0 "[ . 1]" 3
29 2 4 C H4' 2 4 C H5'' . . 2.700 2.442 2.424 2.453 . 0 0 "[ . 1]" 3
30 2 4 C H6 2 5 G H8 . . 5.000 4.585 4.441 4.692 . 0 0 "[ . 1]" 3
31 2 4 C H2' 2 5 G H8 . . 2.700 2.485 2.326 2.705 0.005 5 0 "[ . 1]" 3
32 2 4 C H3' 2 5 G H8 . . 3.300 3.277 3.184 3.324 0.024 5 0 "[ . 1]" 3
33 2 5 G H2' 2 5 G H8 . . 4.000 3.848 3.708 3.990 . 0 0 "[ . 1]" 3
34 2 5 G H3' 2 5 G H8 . . 3.000 2.557 2.325 2.734 . 0 0 "[ . 1]" 3
35 2 5 G H3' 2 5 G H5'' . . 3.300 3.049 3.001 3.098 . 0 0 "[ . 1]" 3
36 2 5 G H4' 2 5 G H5' . . 2.700 2.440 2.424 2.466 . 0 0 "[ . 1]" 3
37 2 5 G H4' 2 5 G H5'' . . 2.700 2.424 2.405 2.437 . 0 0 "[ . 1]" 3
38 2 5 G H8 2 6 A H8 . . 5.000 4.687 4.523 4.927 . 0 0 "[ . 1]" 3
39 2 5 G H2' 2 6 A H8 . . 2.700 2.206 2.143 2.272 . 0 0 "[ . 1]" 3
40 2 5 G H3' 2 6 A H8 . . 3.300 3.348 3.190 3.412 0.112 3 0 "[ . 1]" 3
41 2 6 A H2' 2 6 A H8 . . 4.000 3.957 3.915 4.009 0.009 7 0 "[ . 1]" 3
42 2 6 A H3' 2 6 A H8 . . 3.000 2.820 2.733 2.893 . 0 0 "[ . 1]" 3
43 2 6 A H3' 2 6 A H5'' . . 3.300 3.047 2.998 3.135 . 0 0 "[ . 1]" 3
44 2 6 A H4' 2 6 A H5' . . 2.700 2.463 2.441 2.484 . 0 0 "[ . 1]" 3
45 2 6 A H4' 2 6 A H5'' . . 2.700 2.416 2.390 2.440 . 0 0 "[ . 1]" 3
46 2 6 A H8 2 7 G H8 . . 5.000 4.965 4.810 5.013 0.013 6 0 "[ . 1]" 3
47 2 6 A H2' 2 7 G H8 . . 2.700 2.207 2.082 2.290 . 0 0 "[ . 1]" 3
48 2 6 A H3' 2 7 G H8 . . 3.300 3.249 3.107 3.339 0.039 3 0 "[ . 1]" 3
49 2 6 A H1' 2 7 G H1' . . 5.000 5.037 5.018 5.068 0.068 1 0 "[ . 1]" 3
50 2 6 A H2 2 7 G H1' . . 5.000 3.470 3.290 3.735 . 0 0 "[ . 1]" 3
51 2 7 G H2' 2 7 G H8 . . 4.000 3.983 3.916 4.027 0.027 1 0 "[ . 1]" 3
52 2 7 G H3' 2 7 G H8 . . 3.000 2.671 2.586 2.779 . 0 0 "[ . 1]" 3
53 2 7 G H3' 2 7 G H5'' . . 3.300 2.967 2.902 3.011 . 0 0 "[ . 1]" 3
54 2 7 G H4' 2 7 G H5' . . 2.700 2.399 2.378 2.422 . 0 0 "[ . 1]" 3
55 2 7 G H4' 2 7 G H5'' . . 2.700 2.493 2.474 2.509 . 0 0 "[ . 1]" 3
56 2 7 G H8 2 8 G H8 . . 5.000 4.940 4.842 5.026 0.026 1 0 "[ . 1]" 3
57 2 7 G H2' 2 8 G H8 . . 2.700 2.098 2.063 2.118 . 0 0 "[ . 1]" 3
58 2 7 G H3' 2 8 G H8 . . 3.300 3.338 3.310 3.353 0.053 7 0 "[ . 1]" 3
59 2 8 G H2' 2 8 G H8 . . 4.000 4.025 3.983 4.064 0.064 3 0 "[ . 1]" 3
60 2 8 G H3' 2 8 G H8 . . 3.000 2.921 2.846 3.008 0.008 1 0 "[ . 1]" 3
61 2 8 G H3' 2 8 G H5'' . . 3.300 2.922 2.892 2.970 . 0 0 "[ . 1]" 3
62 2 8 G H4' 2 8 G H5' . . 2.700 2.411 2.383 2.426 . 0 0 "[ . 1]" 3
63 2 8 G H4' 2 8 G H5'' . . 2.700 2.474 2.451 2.496 . 0 0 "[ . 1]" 3
64 2 9 G H2' 2 9 G H8 . . 4.000 3.996 3.936 4.088 0.088 8 0 "[ . 1]" 3
65 2 9 G H3' 2 9 G H8 . . 3.000 2.941 2.867 3.047 0.047 8 0 "[ . 1]" 3
66 2 9 G H3' 2 9 G H5'' . . 3.300 2.864 2.118 2.975 . 0 0 "[ . 1]" 3
67 2 9 G H4' 2 9 G H5' . . 2.700 2.434 2.326 2.464 . 0 0 "[ . 1]" 3
68 2 9 G H4' 2 9 G H5'' . . 2.700 2.495 2.431 2.956 0.256 8 0 "[ . 1]" 3
69 2 9 G H8 2 10 U H6 . . 5.000 4.647 4.501 4.785 . 0 0 "[ . 1]" 3
70 2 9 G H2' 2 10 U H6 . . 2.700 2.498 2.393 2.704 0.004 8 0 "[ . 1]" 3
71 2 9 G H3' 2 10 U H6 . . 3.300 2.876 2.463 2.962 . 0 0 "[ . 1]" 3
72 2 10 U H2' 2 10 U H6 . . 4.000 3.778 3.663 3.824 . 0 0 "[ . 1]" 3
73 2 10 U H3' 2 10 U H6 . . 3.000 2.545 2.387 2.655 . 0 0 "[ . 1]" 3
74 2 10 U H3' 2 10 U H5'' . . 3.300 3.062 3.042 3.135 . 0 0 "[ . 1]" 3
75 2 10 U H4' 2 10 U H5' . . 2.700 2.440 2.425 2.475 . 0 0 "[ . 1]" 3
76 2 10 U H4' 2 10 U H5'' . . 2.700 2.441 2.419 2.458 . 0 0 "[ . 1]" 3
77 2 10 U H6 2 11 C H6 . . 5.000 4.924 4.827 5.006 0.006 3 0 "[ . 1]" 3
78 2 10 U H2' 2 11 C H6 . . 2.700 2.166 2.108 2.200 . 0 0 "[ . 1]" 3
79 2 10 U H3' 2 11 C H6 . . 3.300 3.371 3.351 3.400 0.100 5 0 "[ . 1]" 3
80 2 11 C H2' 2 11 C H6 . . 4.000 3.738 3.691 3.820 . 0 0 "[ . 1]" 3
81 2 11 C H3' 2 11 C H6 . . 3.000 2.579 2.535 2.652 . 0 0 "[ . 1]" 3
82 2 11 C H3' 2 11 C H5'' . . 3.300 2.966 2.906 2.985 . 0 0 "[ . 1]" 3
83 2 11 C H4' 2 11 C H5' . . 2.700 2.413 2.400 2.428 . 0 0 "[ . 1]" 3
84 2 11 C H4' 2 11 C H5'' . . 2.700 2.481 2.463 2.499 . 0 0 "[ . 1]" 3
85 2 11 C H6 2 12 U H6 . . 5.000 4.626 4.577 4.692 . 0 0 "[ . 1]" 3
86 2 11 C H2' 2 12 U H6 . . 2.700 2.421 2.334 2.503 . 0 0 "[ . 1]" 3
87 2 11 C H3' 2 12 U H6 . . 3.300 3.289 3.192 3.316 0.016 3 0 "[ . 1]" 3
88 2 12 U H2' 2 12 U H6 . . 4.000 3.751 3.629 3.821 . 0 0 "[ . 1]" 3
89 2 12 U H3' 2 12 U H6 . . 3.000 2.495 2.416 2.543 . 0 0 "[ . 1]" 3
90 2 12 U H3' 2 12 U H5'' . . 3.300 3.020 2.984 3.038 . 0 0 "[ . 1]" 3
91 2 12 U H4' 2 12 U H5' . . 2.700 2.403 2.390 2.423 . 0 0 "[ . 1]" 3
92 2 12 U H4' 2 12 U H5'' . . 2.700 2.460 2.447 2.468 . 0 0 "[ . 1]" 3
93 2 12 U H2' 2 13 C H6 . . 2.700 2.150 2.124 2.187 . 0 0 "[ . 1]" 3
94 2 12 U H3' 2 13 C H6 . . 3.300 3.409 3.392 3.440 0.140 3 0 "[ . 1]" 3
95 2 12 U H6 2 13 C H6 . . 5.000 4.969 4.870 5.010 0.010 6 0 "[ . 1]" 3
96 2 13 C H2' 2 13 C H6 . . 4.000 3.755 3.636 3.849 . 0 0 "[ . 1]" 3
97 2 13 C H3' 2 13 C H6 . . 3.000 2.526 2.370 2.716 . 0 0 "[ . 1]" 3
98 2 13 C H3' 2 13 C H5'' . . 3.300 3.030 2.869 3.085 . 0 0 "[ . 1]" 3
99 2 13 C H4' 2 13 C H5' . . 2.700 2.440 2.422 2.476 . 0 0 "[ . 1]" 3
100 2 13 C H4' 2 13 C H5'' . . 2.700 2.445 2.408 2.488 . 0 0 "[ . 1]" 3
101 2 13 C H6 2 14 C H6 . . 5.000 4.761 4.611 4.952 . 0 0 "[ . 1]" 3
102 2 13 C H6 2 14 C H5 . . 5.000 4.184 3.909 4.320 . 0 0 "[ . 1]" 3
103 2 13 C H2' 2 14 C H6 . . 2.700 2.188 2.080 2.494 . 0 0 "[ . 1]" 3
104 2 13 C H3' 2 14 C H6 . . 3.300 3.334 3.314 3.357 0.057 2 0 "[ . 1]" 3
105 2 14 C H2' 2 14 C H6 . . 4.000 3.741 3.368 3.964 . 0 0 "[ . 1]" 3
106 2 14 C H3' 2 14 C H6 . . 3.000 2.458 2.343 2.677 . 0 0 "[ . 1]" 3
107 2 14 C H3' 2 14 C H5'' . . 3.300 3.048 2.990 3.118 . 0 0 "[ . 1]" 3
108 2 14 C H4' 2 14 C H5' . . 2.700 2.422 2.379 2.450 . 0 0 "[ . 1]" 3
109 2 14 C H4' 2 14 C H5'' . . 2.700 2.447 2.409 2.472 . 0 0 "[ . 1]" 3
110 2 19 A H2' 2 19 A H8 . . 4.000 2.353 2.091 3.362 . 0 0 "[ . 1]" 3
111 2 19 A H3' 2 19 A H8 . . 3.000 2.630 2.206 3.013 0.013 9 0 "[ . 1]" 3
112 2 19 A H3' 2 19 A H5'' . . 3.300 2.765 2.487 2.978 . 0 0 "[ . 1]" 3
113 2 20 G H2' 2 20 G H8 . . 4.000 3.957 3.795 4.032 0.032 7 0 "[ . 1]" 3
114 2 20 G H3' 2 20 G H8 . . 3.000 2.804 2.533 3.006 0.006 2 0 "[ . 1]" 3
115 2 20 G H3' 2 20 G H5'' . . 3.300 2.985 2.547 3.237 . 0 0 "[ . 1]" 3
116 2 20 G H4' 2 20 G H5' . . 2.700 2.485 2.421 2.536 . 0 0 "[ . 1]" 3
117 2 20 G H4' 2 20 G H5'' . . 2.700 2.521 2.364 2.968 0.268 7 0 "[ . 1]" 3
118 2 20 G H8 2 21 U H6 . . 5.000 4.711 4.367 4.911 . 0 0 "[ . 1]" 3
119 2 20 G H8 2 21 U H5 . . 5.000 4.122 3.789 4.450 . 0 0 "[ . 1]" 3
120 2 20 G H2' 2 21 U H6 . . 2.700 2.501 2.343 2.714 0.014 8 0 "[ . 1]" 3
121 2 20 G H3' 2 21 U H6 . . 3.300 3.280 3.202 3.342 0.042 3 0 "[ . 1]" 3
122 2 21 U H2' 2 21 U H6 . . 4.000 3.746 3.666 3.843 . 0 0 "[ . 1]" 3
123 2 21 U H3' 2 21 U H6 . . 3.000 2.475 2.366 2.628 . 0 0 "[ . 1]" 3
124 2 21 U H3' 2 21 U H5'' . . 3.300 3.062 2.995 3.143 . 0 0 "[ . 1]" 3
125 2 21 U H4' 2 21 U H5' . . 2.700 2.442 2.420 2.483 . 0 0 "[ . 1]" 3
126 2 21 U H4' 2 21 U H5'' . . 2.700 2.429 2.393 2.450 . 0 0 "[ . 1]" 3
127 2 21 U H6 2 22 G H8 . . 5.000 4.688 4.493 4.857 . 0 0 "[ . 1]" 3
128 2 21 U H2' 2 22 G H8 . . 2.700 2.211 2.139 2.273 . 0 0 "[ . 1]" 3
129 2 21 U H3' 2 22 G H8 . . 3.300 3.341 3.309 3.369 0.069 10 0 "[ . 1]" 3
130 2 22 G H2' 2 22 G H8 . . 4.000 3.932 3.808 4.033 0.033 10 0 "[ . 1]" 3
131 2 22 G H3' 2 22 G H8 . . 3.000 2.790 2.704 2.891 . 0 0 "[ . 1]" 3
132 2 22 G H3' 2 22 G H5'' . . 3.300 2.969 2.914 3.062 . 0 0 "[ . 1]" 3
133 2 22 G H4' 2 22 G H5' . . 2.700 2.435 2.415 2.466 . 0 0 "[ . 1]" 3
134 2 22 G H4' 2 22 G H5'' . . 2.700 2.448 2.410 2.468 . 0 0 "[ . 1]" 3
135 2 22 G H8 2 23 A H8 . . 5.000 4.903 4.665 4.972 . 0 0 "[ . 1]" 3
136 2 22 G H2' 2 23 A H8 . . 2.700 2.307 2.172 2.465 . 0 0 "[ . 1]" 3
137 2 22 G H3' 2 23 A H8 . . 3.300 3.260 3.169 3.328 0.028 3 0 "[ . 1]" 3
138 2 23 A H2' 2 23 A H8 . . 4.000 3.924 3.768 4.023 0.023 10 0 "[ . 1]" 3
139 2 23 A H3' 2 23 A H8 . . 3.000 2.614 2.403 2.758 . 0 0 "[ . 1]" 3
140 2 23 A H3' 2 23 A H5'' . . 3.300 3.015 2.988 3.052 . 0 0 "[ . 1]" 3
141 2 23 A H4' 2 23 A H5' . . 2.700 2.413 2.393 2.440 . 0 0 "[ . 1]" 3
142 2 23 A H4' 2 23 A H5'' . . 2.700 2.462 2.441 2.476 . 0 0 "[ . 1]" 3
143 2 23 A H8 2 24 U H6 . . 5.000 4.722 4.498 4.913 . 0 0 "[ . 1]" 3
144 2 23 A H8 2 24 U H5 . . 5.000 4.341 4.061 4.559 . 0 0 "[ . 1]" 3
145 2 23 A H2' 2 24 U H6 . . 2.700 2.333 2.233 2.438 . 0 0 "[ . 1]" 3
146 2 23 A H3' 2 24 U H6 . . 3.300 3.382 3.368 3.394 0.094 7 0 "[ . 1]" 3
147 2 23 A H2 2 24 U H1' . . 5.000 4.136 3.620 4.838 . 0 0 "[ . 1]" 3
148 2 23 A H2 2 50 C H1' . . 5.000 3.588 3.148 3.926 . 0 0 "[ . 1]" 3
149 2 24 U H2' 2 24 U H6 . . 4.000 3.847 3.790 3.911 . 0 0 "[ . 1]" 3
150 2 24 U H3' 2 24 U H6 . . 3.000 2.810 2.749 2.890 . 0 0 "[ . 1]" 3
151 2 24 U H3' 2 24 U H5'' . . 3.300 2.982 2.938 3.014 . 0 0 "[ . 1]" 3
152 2 24 U H4' 2 24 U H5' . . 2.700 2.432 2.422 2.456 . 0 0 "[ . 1]" 3
153 2 24 U H4' 2 24 U H5'' . . 2.700 2.450 2.428 2.467 . 0 0 "[ . 1]" 3
154 2 25 U H2' 2 25 U H6 . . 4.000 3.255 3.161 3.428 . 0 0 "[ . 1]" 3
155 2 25 U H3' 2 25 U H6 . . 3.000 2.411 2.322 2.589 . 0 0 "[ . 1]" 3
156 2 25 U H3' 2 25 U H5'' . . 3.300 2.877 2.853 2.911 . 0 0 "[ . 1]" 3
157 2 25 U H4' 2 25 U H5' . . 2.700 2.460 2.450 2.479 . 0 0 "[ . 1]" 3
158 2 25 U H4' 2 25 U H5'' . . 2.700 2.457 2.442 2.470 . 0 0 "[ . 1]" 3
159 2 26 G H2' 2 26 G H8 . . 4.000 3.683 3.580 3.970 . 0 0 "[ . 1]" 3
160 2 26 G H3' 2 26 G H8 . . 3.000 2.332 2.224 2.662 . 0 0 "[ . 1]" 3
161 2 26 G H3' 2 26 G H5'' . . 3.300 3.037 3.006 3.102 . 0 0 "[ . 1]" 3
162 2 26 G H4' 2 26 G H5' . . 2.700 2.450 2.431 2.485 . 0 0 "[ . 1]" 3
163 2 26 G H4' 2 26 G H5'' . . 2.700 2.433 2.380 2.453 . 0 0 "[ . 1]" 3
164 2 26 G H8 2 27 A H8 . . 5.000 4.427 4.266 4.767 . 0 0 "[ . 1]" 3
165 2 26 G H2' 2 27 A H8 . . 2.700 2.576 2.485 2.685 . 0 0 "[ . 1]" 3
166 2 26 G H3' 2 27 A H8 . . 3.300 3.285 3.165 3.336 0.036 1 0 "[ . 1]" 3
167 2 27 A H2' 2 27 A H8 . . 4.000 3.819 3.708 3.954 . 0 0 "[ . 1]" 3
168 2 27 A H3' 2 27 A H8 . . 3.000 2.618 2.520 2.749 . 0 0 "[ . 1]" 3
169 2 27 A H3' 2 27 A H5'' . . 3.300 2.902 2.878 2.958 . 0 0 "[ . 1]" 3
170 2 27 A H4' 2 27 A H5' . . 2.700 2.410 2.382 2.421 . 0 0 "[ . 1]" 3
171 2 27 A H4' 2 27 A H5'' . . 2.700 2.488 2.467 2.503 . 0 0 "[ . 1]" 3
172 2 27 A H8 2 28 C H6 . . 5.000 4.848 4.745 5.019 0.019 4 0 "[ . 1]" 3
173 2 27 A H2' 2 28 C H6 . . 2.700 2.332 2.202 2.437 . 0 0 "[ . 1]" 3
174 2 27 A H3' 2 28 C H6 . . 3.300 3.327 3.309 3.343 0.043 6 0 "[ . 1]" 3
175 2 27 A H2 2 28 C H1' . . 5.000 4.443 3.783 5.004 0.004 6 0 "[ . 1]" 3
176 2 27 A H2 2 46 C H1' . . 5.000 3.966 3.782 4.387 . 0 0 "[ . 1]" 3
177 2 28 C H2' 2 28 C H6 . . 4.000 3.577 3.462 3.760 . 0 0 "[ . 1]" 3
178 2 28 C H3' 2 28 C H6 . . 3.000 2.565 2.460 2.729 . 0 0 "[ . 1]" 3
179 2 28 C H3' 2 28 C H5'' . . 3.300 2.910 2.889 2.966 . 0 0 "[ . 1]" 3
180 2 28 C H4' 2 28 C H5' . . 2.700 2.434 2.422 2.447 . 0 0 "[ . 1]" 3
181 2 28 C H4' 2 28 C H5'' . . 2.700 2.483 2.457 2.497 . 0 0 "[ . 1]" 3
182 2 28 C H6 2 29 U H6 . . 5.000 4.495 4.356 4.762 . 0 0 "[ . 1]" 3
183 2 28 C H6 2 29 U H5 . . 5.000 4.054 3.920 4.236 . 0 0 "[ . 1]" 3
184 2 28 C H2' 2 29 U H6 . . 2.700 2.655 2.444 2.725 0.025 7 0 "[ . 1]" 3
185 2 28 C H3' 2 29 U H6 . . 3.300 3.248 3.194 3.287 . 0 0 "[ . 1]" 3
186 2 29 U H2' 2 29 U H6 . . 4.000 3.724 3.606 3.866 . 0 0 "[ . 1]" 3
187 2 29 U H3' 2 29 U H6 . . 3.000 2.356 2.250 2.426 . 0 0 "[ . 1]" 3
188 2 29 U H3' 2 29 U H5'' . . 3.300 3.043 2.985 3.105 . 0 0 "[ . 1]" 3
189 2 29 U H4' 2 29 U H5' . . 2.700 2.498 2.480 2.511 . 0 0 "[ . 1]" 3
190 2 29 U H4' 2 29 U H5'' . . 2.700 2.515 2.484 2.538 . 0 0 "[ . 1]" 3
191 2 29 U H2' 2 31 C H5 . . 3.300 3.430 3.407 3.445 0.145 2 0 "[ . 1]" 3
192 2 29 U H4' 2 30 A H8 . . 4.000 4.403 4.378 4.422 0.422 4 0 "[ . 1]" 3
193 2 30 A H2' 2 30 A H8 . . 4.000 4.039 4.031 4.048 0.048 4 0 "[ . 1]" 3
194 2 30 A H3' 2 30 A H8 . . 3.000 3.022 3.005 3.043 0.043 6 0 "[ . 1]" 3
195 2 30 A H3' 2 30 A H5'' . . 3.300 3.016 2.993 3.035 . 0 0 "[ . 1]" 3
196 2 30 A H4' 2 30 A H5' . . 2.700 2.472 2.459 2.492 . 0 0 "[ . 1]" 3
197 2 30 A H4' 2 30 A H5'' . . 2.700 2.388 2.369 2.410 . 0 0 "[ . 1]" 3
198 2 30 A H8 2 31 C H5 . . 5.000 3.090 3.023 3.171 . 0 0 "[ . 1]" 3
199 2 30 A H3' 2 31 C H6 . . 3.300 2.236 2.192 2.295 . 0 0 "[ . 1]" 3
200 2 30 A H2 2 31 C H1' . . 5.000 3.933 3.793 4.034 . 0 0 "[ . 1]" 3
201 2 30 A H2 2 44 G H1' . . 6.500 5.882 5.476 6.471 . 0 0 "[ . 1]" 3
202 2 30 A H62 2 43 G N3 . . 1.890 2.051 2.014 2.120 0.230 4 0 "[ . 1]" 3
203 2 31 C H2' 2 31 C H6 . . 4.000 3.893 3.826 3.945 . 0 0 "[ . 1]" 3
204 2 31 C H3' 2 31 C H6 . . 3.000 2.789 2.735 2.847 . 0 0 "[ . 1]" 3
205 2 31 C H3' 2 31 C H5'' . . 3.300 3.010 2.982 3.038 . 0 0 "[ . 1]" 3
206 2 31 C H4' 2 31 C H5' . . 2.700 2.450 2.436 2.466 . 0 0 "[ . 1]" 3
207 2 31 C H4' 2 31 C H5'' . . 2.700 2.446 2.431 2.456 . 0 0 "[ . 1]" 3
208 2 31 C H6 2 32 C H6 . . 5.000 4.965 4.891 5.023 0.023 2 0 "[ . 1]" 3
209 2 31 C H6 2 32 C H5 . . 5.000 4.062 3.878 4.244 . 0 0 "[ . 1]" 3
210 2 31 C H2' 2 32 C H6 . . 2.700 2.183 2.140 2.233 . 0 0 "[ . 1]" 3
211 2 31 C H3' 2 32 C H6 . . 3.300 3.316 3.285 3.331 0.031 7 0 "[ . 1]" 3
212 2 32 C H2' 2 32 C H6 . . 4.000 3.819 3.737 3.899 . 0 0 "[ . 1]" 3
213 2 32 C H3' 2 32 C H6 . . 3.000 2.624 2.512 2.696 . 0 0 "[ . 1]" 3
214 2 32 C H3' 2 32 C H5'' . . 3.300 3.038 2.991 3.099 . 0 0 "[ . 1]" 3
215 2 32 C H4' 2 32 C H5' . . 2.700 2.451 2.433 2.470 . 0 0 "[ . 1]" 3
216 2 32 C H4' 2 32 C H5'' . . 2.700 2.430 2.406 2.447 . 0 0 "[ . 1]" 3
217 2 32 C H6 2 33 C H6 . . 5.000 4.789 4.639 4.886 . 0 0 "[ . 1]" 3
218 2 32 C H2' 2 33 C H6 . . 2.700 2.241 2.174 2.376 . 0 0 "[ . 1]" 3
219 2 32 C H3' 2 33 C H6 . . 3.300 3.326 3.308 3.376 0.076 7 0 "[ . 1]" 3
220 2 33 C H2' 2 33 C H6 . . 4.000 3.758 3.520 3.853 . 0 0 "[ . 1]" 3
221 2 33 C H3' 2 33 C H6 . . 4.000 2.522 2.428 2.604 . 0 0 "[ . 1]" 3
222 2 33 C H1' 2 33 C H6 . . 4.000 3.684 3.664 3.726 . 0 0 "[ . 1]" 3
223 2 33 C H3' 2 33 C H5'' . . 3.300 3.033 2.998 3.065 . 0 0 "[ . 1]" 3
224 2 33 C H4' 2 33 C H5' . . 2.700 2.448 2.422 2.472 . 0 0 "[ . 1]" 3
225 2 33 C H4' 2 33 C H5'' . . 2.700 2.440 2.426 2.451 . 0 0 "[ . 1]" 3
226 2 33 C H6 2 34 G H8 . . 5.000 4.824 4.687 5.047 0.047 7 0 "[ . 1]" 3
227 2 33 C H2' 2 34 G H8 . . 2.700 2.156 2.101 2.210 . 0 0 "[ . 1]" 3
228 2 33 C H3' 2 34 G H8 . . 4.000 3.442 3.313 3.626 . 0 0 "[ . 1]" 3
229 2 33 C H4' 2 34 G H8 . . 6.000 5.623 5.568 5.664 . 0 0 "[ . 1]" 3
230 2 33 C H2' 2 34 G H5'' . . 5.000 4.475 4.316 4.890 . 0 0 "[ . 1]" 3
231 2 34 G H2' 2 34 G H8 . . 4.000 3.935 3.719 4.005 0.005 8 0 "[ . 1]" 3
232 2 34 G H3' 2 34 G H8 . . 3.000 2.806 2.683 2.920 . 0 0 "[ . 1]" 3
233 2 34 G H3' 2 34 G H5'' . . 3.300 2.976 2.916 3.002 . 0 0 "[ . 1]" 3
234 2 34 G H4' 2 34 G H5' . . 2.700 2.439 2.431 2.449 . 0 0 "[ . 1]" 3
235 2 34 G H4' 2 34 G H5'' . . 2.700 2.445 2.436 2.460 . 0 0 "[ . 1]" 3
236 2 34 G H8 2 35 U H5 . . 5.000 4.116 3.922 4.285 . 0 0 "[ . 1]" 3
237 2 34 G H8 2 35 U H6 . . 5.000 4.614 4.452 4.930 . 0 0 "[ . 1]" 3
238 2 34 G H2' 2 35 U H6 . . 3.300 2.665 2.433 2.987 . 0 0 "[ . 1]" 3
239 2 34 G H3' 2 35 U H6 . . 3.300 3.293 3.213 3.338 0.038 7 0 "[ . 1]" 3
240 2 34 G H3' 2 35 U H5 . . 4.000 3.986 3.829 4.071 0.071 5 0 "[ . 1]" 3
241 2 34 G H4' 2 35 U H6 . . 6.000 5.903 5.754 6.005 0.005 6 0 "[ . 1]" 3
242 2 34 G H2' 2 35 U H4' . . 5.000 4.027 3.845 4.194 . 0 0 "[ . 1]" 3
243 2 34 G H2' 2 35 U H5' . . 5.000 3.820 2.583 4.427 . 0 0 "[ . 1]" 3
244 2 34 G H1 2 39 C H5 . . 5.000 5.026 4.971 5.081 0.081 6 0 "[ . 1]" 3
245 2 35 U H3' 2 35 U H6 . . 3.300 2.796 2.180 3.291 . 0 0 "[ . 1]" 3
246 2 35 U H4' 2 35 U H6 . . 5.000 4.031 3.959 4.144 . 0 0 "[ . 1]" 3
247 2 35 U H5' 2 35 U H6 . . 4.000 3.846 3.726 3.972 . 0 0 "[ . 1]" 3
248 2 35 U H5'' 2 35 U H6 . . 5.000 2.937 2.195 4.092 . 0 0 "[ . 1]" 3
249 2 35 U H1' 2 35 U H6 . . 4.000 3.596 3.463 3.770 . 0 0 "[ . 1]" 3
250 2 35 U H3' 2 35 U H5'' . . 3.300 2.553 2.235 3.061 . 0 0 "[ . 1]" 3
251 2 35 U H4' 2 35 U H5' . . 2.700 2.440 2.409 2.451 . 0 0 "[ . 1]" 3
252 2 35 U H4' 2 35 U H5'' . . 3.000 2.807 2.429 3.040 0.040 2 0 "[ . 1]" 3
253 2 35 U H2' 2 37 A H8 . . 4.000 3.851 3.037 4.035 0.035 7 0 "[ . 1]" 3
254 2 35 U H2' 2 36 C H6 . . 3.700 3.766 3.657 3.840 0.140 6 0 "[ . 1]" 3
255 2 35 U H4' 2 36 C H6 . . 5.500 3.612 3.271 4.664 . 0 0 "[ . 1]" 3
256 2 35 U H3' 2 36 C H6 . . 4.500 4.400 4.303 4.505 0.005 1 0 "[ . 1]" 3
257 2 35 U H4' 2 36 C H5 . . 4.000 2.569 2.166 3.785 . 0 0 "[ . 1]" 3
258 2 35 U H2' 2 36 C H5 . . 5.000 4.963 4.496 5.034 0.034 8 0 "[ . 1]" 3
259 2 35 U H3' 2 36 C H5 . . 5.500 4.890 4.669 5.171 . 0 0 "[ . 1]" 3
260 2 36 C H2' 2 36 C H6 . . 3.000 2.408 2.221 2.514 . 0 0 "[ . 1]" 3
261 2 36 C H3' 2 36 C H6 . . 4.000 4.014 3.583 4.106 0.106 7 0 "[ . 1]" 3
262 2 36 C H1' 2 36 C H6 . . 4.000 3.738 3.726 3.769 . 0 0 "[ . 1]" 3
263 2 36 C H4' 2 36 C H6 . . 5.000 4.179 4.131 4.380 . 0 0 "[ . 1]" 3
264 2 36 C H3' 2 36 C H5'' . . 3.300 2.472 2.351 2.572 . 0 0 "[ . 1]" 3
265 2 36 C H4' 2 36 C H5' . . 2.700 2.345 2.303 2.386 . 0 0 "[ . 1]" 3
266 2 36 C H4' 2 36 C H5'' . . 3.000 3.022 3.005 3.034 0.034 6 0 "[ . 1]" 3
267 2 36 C H2' 2 36 C H5' . . 5.000 3.728 3.599 4.073 . 0 0 "[ . 1]" 3
268 2 36 C H3' 2 37 A H8 . . 2.700 2.309 1.987 2.713 0.013 3 0 "[ . 1]" 3
269 2 36 C H4' 2 37 A H8 . . 4.500 4.045 3.541 4.452 . 0 0 "[ . 1]" 3
270 2 36 C H5' 2 37 A H8 . . 3.300 2.726 2.163 3.297 . 0 0 "[ . 1]" 3
271 2 36 C H5'' 2 37 A H8 . . 3.300 3.255 2.674 3.336 0.036 6 0 "[ . 1]" 3
272 2 36 C H3' 2 37 A H5' . . 4.000 2.764 2.666 2.863 . 0 0 "[ . 1]" 3
273 2 36 C H3' 2 37 A H5'' . . 4.000 4.042 4.004 4.067 0.067 7 0 "[ . 1]" 3
274 2 36 C H6 2 37 A H8 . . 5.500 5.263 3.971 5.517 0.017 10 0 "[ . 1]" 3
275 2 37 A H2' 2 37 A H8 . . 3.300 2.897 2.453 3.330 0.030 8 0 "[ . 1]" 3
276 2 37 A H3' 2 37 A H8 . . 5.000 4.682 4.214 4.925 . 0 0 "[ . 1]" 3
277 2 37 A H3' 2 37 A H5'' . . 3.300 2.737 2.579 2.887 . 0 0 "[ . 1]" 3
278 2 37 A H4' 2 37 A H5' . . 3.000 2.522 2.480 2.584 . 0 0 "[ . 1]" 3
279 2 37 A H4' 2 37 A H5'' . . 2.700 2.338 2.292 2.407 . 0 0 "[ . 1]" 3
280 2 37 A H1' 2 38 G H5' . . 5.500 5.315 4.854 5.577 0.077 7 0 "[ . 1]" 3
281 2 37 A H1' 2 38 G H5'' . . 5.000 3.730 3.249 4.044 . 0 0 "[ . 1]" 3
282 2 37 A H4' 2 38 G H5'' . . 4.000 2.419 2.120 2.983 . 0 0 "[ . 1]" 3
283 2 37 A H4' 2 38 G H5' . . 4.000 3.802 3.619 4.004 0.004 7 0 "[ . 1]" 3
284 2 37 A H5'' 2 38 G H8 . . 5.000 4.957 4.598 5.079 0.079 9 0 "[ . 1]" 3
285 2 37 A H5' 2 38 G H8 . . 5.500 4.536 4.112 4.907 . 0 0 "[ . 1]" 3
286 2 37 A H4' 2 38 G H3' . . 4.000 3.923 3.706 4.128 0.128 6 0 "[ . 1]" 3
287 2 37 A H4' 2 38 G H1' . . 5.000 4.178 3.589 4.386 . 0 0 "[ . 1]" 3
288 2 37 A H4' 2 38 G H4' . . 4.000 3.874 3.785 3.948 . 0 0 "[ . 1]" 3
289 2 38 G H1' 2 38 G H8 . . 2.700 2.747 2.491 3.639 0.939 7 2 "[ .-+ 1]" 3
290 2 38 G H2' 2 38 G H8 . . 5.000 3.925 3.669 4.218 . 0 0 "[ . 1]" 3
291 2 38 G H3' 2 38 G H5'' . . 4.000 2.407 2.311 2.707 . 0 0 "[ . 1]" 3
292 2 38 G H4' 2 38 G H5' . . 3.300 2.491 2.419 2.690 . 0 0 "[ . 1]" 3
293 2 38 G H4' 2 38 G H5'' . . 3.300 3.051 3.031 3.056 . 0 0 "[ . 1]" 3
294 2 38 G H2' 2 39 C H6 . . 5.000 4.733 4.392 4.934 . 0 0 "[ . 1]" 3
295 2 38 G H3' 2 39 C H6 . . 5.000 4.742 4.399 5.020 0.020 6 0 "[ . 1]" 3
296 2 38 G H2' 2 39 C H4' . . 3.000 2.301 2.023 2.594 . 0 0 "[ . 1]" 3
297 2 38 G H2' 2 39 C H5' . . 4.500 4.367 4.175 4.452 . 0 0 "[ . 1]" 3
298 2 38 G H2' 2 39 C H5'' . . 4.000 3.992 3.170 4.226 0.226 10 0 "[ . 1]" 3
299 2 38 G H2' 2 39 C H1' . . 3.000 3.079 3.006 3.205 0.205 7 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 21
_Distance_constraint_stats_list.Viol_count 63
_Distance_constraint_stats_list.Viol_total 25.636
_Distance_constraint_stats_list.Viol_max 0.137
_Distance_constraint_stats_list.Viol_rms 0.0245
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0122
_Distance_constraint_stats_list.Viol_average_violations_only 0.0407
_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 18 ARG 0.050 0.034 7 0 "[ . 1]"
1 22 ASP 0.458 0.137 3 0 "[ . 1]"
1 23 ARG 0.216 0.062 7 0 "[ . 1]"
1 25 GLN 0.050 0.023 9 0 "[ . 1]"
1 27 ALA 0.836 0.087 5 0 "[ . 1]"
1 28 TYR 0.133 0.061 10 0 "[ . 1]"
1 30 LYS 0.074 0.052 5 0 "[ . 1]"
1 36 ALA 0.040 0.023 1 0 "[ . 1]"
1 41 LYS 0.000 0.000 . 0 "[ . 1]"
1 42 LYS 0.708 0.106 7 0 "[ . 1]"
2 15 U 0.133 0.061 10 0 "[ . 1]"
2 16 C 0.708 0.106 7 0 "[ . 1]"
2 17 U 0.124 0.052 5 0 "[ . 1]"
2 18 G 1.599 0.137 3 0 "[ . 1]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 27 ALA H 2 18 G O6 . . 2.000 2.052 2.022 2.087 0.087 5 0 "[ . 1]" 4
2 1 27 ALA N 2 18 G O6 . . 3.000 3.031 3.005 3.068 0.068 5 0 "[ . 1]" 4
3 1 36 ALA H 2 18 G O6 . . 2.000 1.914 1.854 2.017 0.017 1 0 "[ . 1]" 4
4 1 36 ALA N 2 18 G O6 . . 3.000 2.920 2.862 3.023 0.023 1 0 "[ . 1]" 4
5 1 25 GLN O 2 18 G H1 . . 2.000 1.949 1.874 2.023 0.023 9 0 "[ . 1]" 4
6 1 25 GLN O 2 18 G N1 . . 3.000 2.821 2.780 2.874 . 0 0 "[ . 1]" 4
7 1 25 GLN O 2 18 G H21 . . 2.000 1.826 1.800 1.865 . 0 0 "[ . 1]" 4
8 1 25 GLN O 2 18 G N2 . . 3.000 2.755 2.745 2.785 . 0 0 "[ . 1]" 4
9 1 22 ASP O 2 18 G H22 . . 2.000 2.046 1.999 2.137 0.137 3 0 "[ . 1]" 4
10 1 23 ARG HH21 2 18 G O2' . . 2.000 2.008 1.897 2.062 0.062 7 0 "[ . 1]" 4
11 1 23 ARG NH2 2 18 G O2' . . 3.000 2.914 2.868 2.952 . 0 0 "[ . 1]" 4
12 1 30 LYS QZ 2 17 U O4 . . 2.000 1.896 1.808 2.052 0.052 5 0 "[ . 1]" 4
13 1 30 LYS NZ 2 17 U O4 . . 3.000 2.833 2.791 2.877 . 0 0 "[ . 1]" 4
14 1 18 ARG HE 2 17 U O2' . . 2.000 1.944 1.856 2.034 0.034 7 0 "[ . 1]" 4
15 1 18 ARG NE 2 17 U O2' . . 3.000 2.899 2.827 2.959 . 0 0 "[ . 1]" 4
16 1 42 LYS QZ 2 16 C O2 . . 2.000 1.887 1.832 1.984 . 0 0 "[ . 1]" 4
17 1 42 LYS NZ 2 16 C O2 . . 3.000 2.852 2.790 2.949 . 0 0 "[ . 1]" 4
18 1 42 LYS QZ 2 16 C N3 . . 2.000 2.071 2.045 2.106 0.106 7 0 "[ . 1]" 4
19 1 42 LYS NZ 2 16 C N3 . . 3.000 2.935 2.907 2.964 . 0 0 "[ . 1]" 4
20 1 41 LYS QZ 2 15 U O4 . . 2.000 1.836 1.789 1.945 . 0 0 "[ . 1]" 4
21 1 28 TYR HH 2 15 U OP2 . . 2.600 2.295 1.757 2.661 0.061 10 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 216
_Distance_constraint_stats_list.Viol_count 346
_Distance_constraint_stats_list.Viol_total 163.536
_Distance_constraint_stats_list.Viol_max 0.275
_Distance_constraint_stats_list.Viol_rms 0.0244
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0076
_Distance_constraint_stats_list.Viol_average_violations_only 0.0473
_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
2 39 C 2.075 0.224 6 0 "[ . 1]"
2 40 G 1.198 0.096 7 0 "[ . 1]"
2 41 G 0.448 0.046 7 0 "[ . 1]"
2 42 G 0.339 0.051 8 0 "[ . 1]"
2 43 G 0.655 0.072 2 0 "[ . 1]"
2 44 G 0.482 0.056 7 0 "[ . 1]"
2 45 U 0.968 0.108 3 0 "[ . 1]"
2 46 C 1.532 0.108 3 0 "[ . 1]"
2 47 U 0.867 0.072 6 0 "[ . 1]"
2 48 U 1.245 0.122 10 0 "[ . 1]"
2 49 U 1.955 0.195 10 0 "[ . 1]"
2 50 C 2.176 0.268 10 0 "[ . 1]"
2 51 A 1.080 0.079 3 0 "[ . 1]"
2 52 U 0.848 0.198 5 0 "[ . 1]"
2 53 U 0.645 0.198 5 0 "[ . 1]"
2 54 U 0.000 0.000 . 0 "[ . 1]"
2 55 G 1.837 0.275 4 0 "[ . 1]"
2 56 G 1.309 0.074 4 0 "[ . 1]"
2 57 G 1.216 0.075 7 0 "[ . 1]"
2 58 G 0.735 0.039 8 0 "[ . 1]"
2 59 G 1.191 0.052 8 0 "[ . 1]"
2 60 C 0.000 0.000 . 0 "[ . 1]"
2 61 U 0.781 0.100 3 0 "[ . 1]"
2 62 C 0.781 0.100 3 0 "[ . 1]"
2 64 U 0.000 0.000 . 0 "[ . 1]"
2 65 G 0.203 0.054 5 0 "[ . 1]"
2 66 C 0.451 0.048 9 0 "[ . 1]"
2 67 C 0.637 0.048 9 0 "[ . 1]"
2 68 C 0.310 0.046 8 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 2 39 C H2' 2 39 C H6 . . 5.000 3.620 3.565 3.668 . 0 0 "[ . 1]" 5
2 2 39 C H5' 2 39 C H6 . . 3.300 3.429 3.355 3.524 0.224 6 0 "[ . 1]" 5
3 2 39 C H5'' 2 39 C H6 . . 3.000 2.168 2.026 2.564 . 0 0 "[ . 1]" 5
4 2 39 C H4' 2 39 C H5' . . 2.700 2.625 2.586 2.746 0.046 7 0 "[ . 1]" 5
5 2 39 C H6 2 40 G H8 . . 5.000 4.029 3.920 4.213 . 0 0 "[ . 1]" 5
6 2 39 C H5 2 40 G H8 . . 4.500 4.574 4.562 4.596 0.096 7 0 "[ . 1]" 5
7 2 39 C H2' 2 40 G H8 . . 3.300 2.254 2.180 2.354 . 0 0 "[ . 1]" 5
8 2 40 G H2' 2 40 G H8 . . 4.000 4.021 4.009 4.038 0.038 4 0 "[ . 1]" 5
9 2 40 G H3' 2 40 G H8 . . 3.000 2.810 2.754 2.865 . 0 0 "[ . 1]" 5
10 2 40 G H3' 2 40 G H5'' . . 3.300 3.062 3.001 3.098 . 0 0 "[ . 1]" 5
11 2 40 G H4' 2 40 G H5' . . 2.700 2.441 2.408 2.462 . 0 0 "[ . 1]" 5
12 2 40 G H4' 2 40 G H5'' . . 2.700 2.428 2.413 2.463 . 0 0 "[ . 1]" 5
13 2 40 G H8 2 41 G H8 . . 5.000 4.864 4.772 4.968 . 0 0 "[ . 1]" 5
14 2 40 G H2' 2 41 G H8 . . 2.700 2.175 2.129 2.233 . 0 0 "[ . 1]" 5
15 2 40 G H3' 2 41 G H8 . . 3.300 3.324 3.312 3.346 0.046 7 0 "[ . 1]" 5
16 2 41 G H2' 2 41 G H8 . . 4.000 4.019 3.999 4.031 0.031 4 0 "[ . 1]" 5
17 2 41 G H3' 2 41 G H8 . . 3.000 2.792 2.763 2.819 . 0 0 "[ . 1]" 5
18 2 41 G H3' 2 41 G H5'' . . 3.300 3.007 2.982 3.040 . 0 0 "[ . 1]" 5
19 2 41 G H4' 2 41 G H5' . . 2.700 2.438 2.423 2.451 . 0 0 "[ . 1]" 5
20 2 41 G H4' 2 41 G H5'' . . 2.700 2.439 2.426 2.452 . 0 0 "[ . 1]" 5
21 2 41 G H8 2 42 G H8 . . 5.000 4.717 4.598 4.826 . 0 0 "[ . 1]" 5
22 2 41 G H2' 2 42 G H8 . . 2.700 2.284 2.217 2.337 . 0 0 "[ . 1]" 5
23 2 41 G H3' 2 42 G H8 . . 3.300 3.229 3.159 3.312 0.012 2 0 "[ . 1]" 5
24 2 42 G H2' 2 42 G H8 . . 4.000 4.032 4.018 4.051 0.051 8 0 "[ . 1]" 5
25 2 42 G H3' 2 42 G H8 . . 3.000 2.927 2.856 2.988 . 0 0 "[ . 1]" 5
26 2 42 G H3' 2 42 G H5'' . . 3.300 2.959 2.928 2.986 . 0 0 "[ . 1]" 5
27 2 42 G H4' 2 42 G H5' . . 2.700 2.412 2.392 2.425 . 0 0 "[ . 1]" 5
28 2 42 G H4' 2 42 G H5'' . . 2.700 2.463 2.446 2.484 . 0 0 "[ . 1]" 5
29 2 42 G H8 2 43 G H8 . . 5.000 4.283 4.187 4.391 . 0 0 "[ . 1]" 5
30 2 42 G H2' 2 43 G H8 . . 2.700 2.238 2.149 2.380 . 0 0 "[ . 1]" 5
31 2 42 G H3' 2 43 G H8 . . 3.300 2.644 2.575 2.805 . 0 0 "[ . 1]" 5
32 2 43 G H2' 2 43 G H8 . . 4.000 4.058 4.045 4.072 0.072 2 0 "[ . 1]" 5
33 2 43 G H3' 2 43 G H8 . . 3.000 2.929 2.883 2.992 . 0 0 "[ . 1]" 5
34 2 43 G H3' 2 43 G H5'' . . 3.300 2.974 2.929 3.001 . 0 0 "[ . 1]" 5
35 2 43 G H4' 2 43 G H5' . . 2.700 2.452 2.436 2.461 . 0 0 "[ . 1]" 5
36 2 43 G H4' 2 43 G H5'' . . 2.700 2.436 2.425 2.452 . 0 0 "[ . 1]" 5
37 2 43 G H8 2 44 G H8 . . 5.000 4.980 4.919 5.019 0.019 1 0 "[ . 1]" 5
38 2 43 G H2' 2 44 G H8 . . 2.700 2.224 2.168 2.297 . 0 0 "[ . 1]" 5
39 2 43 G H3' 2 44 G H8 . . 3.300 3.233 3.128 3.311 0.011 7 0 "[ . 1]" 5
40 2 44 G H2' 2 44 G H8 . . 4.000 4.040 4.026 4.056 0.056 7 0 "[ . 1]" 5
41 2 44 G H3' 2 44 G H8 . . 3.000 2.878 2.810 2.935 . 0 0 "[ . 1]" 5
42 2 44 G H3' 2 44 G H5'' . . 3.300 2.993 2.959 3.023 . 0 0 "[ . 1]" 5
43 2 44 G H4' 2 44 G H5' . . 2.700 2.442 2.433 2.450 . 0 0 "[ . 1]" 5
44 2 44 G H4' 2 44 G H5'' . . 2.700 2.434 2.426 2.446 . 0 0 "[ . 1]" 5
45 2 44 G H8 2 45 U H6 . . 5.000 4.911 4.818 4.999 . 0 0 "[ . 1]" 5
46 2 44 G H8 2 45 U H5 . . 5.000 4.330 4.203 4.401 . 0 0 "[ . 1]" 5
47 2 44 G H2' 2 45 U H6 . . 2.700 2.425 2.304 2.599 . 0 0 "[ . 1]" 5
48 2 44 G H3' 2 45 U H6 . . 3.300 3.260 3.204 3.309 0.009 2 0 "[ . 1]" 5
49 2 45 U H2' 2 45 U H6 . . 4.000 3.635 3.558 3.692 . 0 0 "[ . 1]" 5
50 2 45 U H3' 2 45 U H6 . . 3.000 2.772 2.678 2.823 . 0 0 "[ . 1]" 5
51 2 45 U H3' 2 45 U H5'' . . 3.300 2.888 2.871 2.920 . 0 0 "[ . 1]" 5
52 2 45 U H4' 2 45 U H5' . . 2.700 2.443 2.427 2.456 . 0 0 "[ . 1]" 5
53 2 45 U H4' 2 45 U H5'' . . 2.700 2.477 2.463 2.488 . 0 0 "[ . 1]" 5
54 2 45 U H2' 2 46 C H5 . . 2.700 2.796 2.775 2.808 0.108 3 0 "[ . 1]" 5
55 2 45 U H2' 2 46 C H6 . . 2.700 2.099 2.032 2.160 . 0 0 "[ . 1]" 5
56 2 45 U H3' 2 46 C H5 . . 5.000 3.593 3.387 3.705 . 0 0 "[ . 1]" 5
57 2 45 U H3' 2 46 C H6 . . 5.000 3.664 3.502 3.761 . 0 0 "[ . 1]" 5
58 2 46 C H2' 2 46 C H6 . . 4.000 3.754 3.624 3.868 . 0 0 "[ . 1]" 5
59 2 46 C H3' 2 46 C H6 . . 3.000 2.435 2.327 2.579 . 0 0 "[ . 1]" 5
60 2 46 C H3' 2 46 C H5'' . . 3.300 3.052 3.037 3.070 . 0 0 "[ . 1]" 5
61 2 46 C H4' 2 46 C H5' . . 2.700 2.433 2.418 2.442 . 0 0 "[ . 1]" 5
62 2 46 C H4' 2 46 C H5'' . . 2.700 2.452 2.434 2.471 . 0 0 "[ . 1]" 5
63 2 46 C H6 2 47 U H6 . . 5.000 4.547 4.375 4.728 . 0 0 "[ . 1]" 5
64 2 46 C H2' 2 47 U H6 . . 2.700 2.457 2.354 2.512 . 0 0 "[ . 1]" 5
65 2 46 C H3' 2 47 U H6 . . 3.300 3.357 3.328 3.372 0.072 6 0 "[ . 1]" 5
66 2 47 U H2' 2 47 U H6 . . 4.000 3.835 3.799 3.870 . 0 0 "[ . 1]" 5
67 2 47 U H3' 2 47 U H6 . . 3.000 2.798 2.718 2.857 . 0 0 "[ . 1]" 5
68 2 47 U H3' 2 47 U H5'' . . 3.300 2.953 2.927 3.007 . 0 0 "[ . 1]" 5
69 2 47 U H4' 2 47 U H5' . . 2.700 2.400 2.384 2.409 . 0 0 "[ . 1]" 5
70 2 47 U H4' 2 47 U H5'' . . 2.700 2.473 2.435 2.491 . 0 0 "[ . 1]" 5
71 2 47 U H6 2 48 U H6 . . 5.000 4.456 4.327 4.537 . 0 0 "[ . 1]" 5
72 2 47 U H2' 2 48 U H6 . . 2.700 2.722 2.713 2.746 0.046 4 0 "[ . 1]" 5
73 2 47 U H3' 2 48 U H6 . . 3.000 3.002 2.969 3.017 0.017 5 0 "[ . 1]" 5
74 2 48 U H2' 2 48 U H6 . . 4.000 3.773 3.665 3.873 . 0 0 "[ . 1]" 5
75 2 48 U H3' 2 48 U H6 . . 3.000 2.584 2.465 2.683 . 0 0 "[ . 1]" 5
76 2 48 U H3' 2 48 U H5'' . . 3.300 3.023 2.975 3.067 . 0 0 "[ . 1]" 5
77 2 48 U H4' 2 48 U H5' . . 2.700 2.423 2.410 2.433 . 0 0 "[ . 1]" 5
78 2 48 U H4' 2 48 U H5'' . . 2.700 2.439 2.429 2.449 . 0 0 "[ . 1]" 5
79 2 48 U H6 2 49 U H6 . . 5.000 4.981 4.913 5.034 0.034 2 0 "[ . 1]" 5
80 2 48 U H2' 2 49 U H6 . . 2.700 2.290 2.161 2.627 . 0 0 "[ . 1]" 5
81 2 48 U H3' 2 49 U H6 . . 3.000 3.088 3.030 3.122 0.122 10 0 "[ . 1]" 5
82 2 49 U H2' 2 49 U H6 . . 4.000 3.801 3.716 3.901 . 0 0 "[ . 1]" 5
83 2 49 U H3' 2 49 U H6 . . 3.000 2.583 2.470 2.682 . 0 0 "[ . 1]" 5
84 2 49 U H3' 2 49 U H5'' . . 3.300 3.065 2.991 3.103 . 0 0 "[ . 1]" 5
85 2 49 U H4' 2 49 U H5' . . 2.700 2.419 2.367 2.440 . 0 0 "[ . 1]" 5
86 2 49 U H4' 2 49 U H5'' . . 2.700 2.457 2.441 2.485 . 0 0 "[ . 1]" 5
87 2 49 U H6 2 50 C H6 . . 5.000 4.789 4.546 5.001 0.001 4 0 "[ . 1]" 5
88 2 49 U H2' 2 50 C H6 . . 2.700 2.306 2.224 2.477 . 0 0 "[ . 1]" 5
89 2 49 U H3' 2 50 C H6 . . 3.300 3.400 3.353 3.495 0.195 10 0 "[ . 1]" 5
90 2 50 C H2' 2 50 C H6 . . 4.000 3.734 3.586 4.065 0.065 10 0 "[ . 1]" 5
91 2 50 C H3' 2 50 C H6 . . 3.000 2.501 2.331 2.926 . 0 0 "[ . 1]" 5
92 2 50 C H3' 2 50 C H5'' . . 3.300 2.968 2.366 3.147 . 0 0 "[ . 1]" 5
93 2 50 C H4' 2 50 C H5' . . 2.700 2.439 2.405 2.466 . 0 0 "[ . 1]" 5
94 2 50 C H4' 2 50 C H5'' . . 2.700 2.494 2.385 2.968 0.268 10 0 "[ . 1]" 5
95 2 50 C H6 2 51 A H8 . . 5.000 4.568 4.358 4.866 . 0 0 "[ . 1]" 5
96 2 50 C H5 2 51 A H8 . . 5.000 5.056 5.038 5.079 0.079 3 0 "[ . 1]" 5
97 2 50 C H2' 2 51 A H8 . . 2.700 2.296 2.202 2.574 . 0 0 "[ . 1]" 5
98 2 50 C H3' 2 51 A H8 . . 3.300 3.297 3.110 3.353 0.053 9 0 "[ . 1]" 5
99 2 51 A H2' 2 51 A H8 . . 4.000 3.888 3.787 4.012 0.012 10 0 "[ . 1]" 5
100 2 51 A H3' 2 51 A H8 . . 3.000 2.845 2.699 3.010 0.010 10 0 "[ . 1]" 5
101 2 51 A H3' 2 51 A H5'' . . 3.300 2.952 2.886 3.029 . 0 0 "[ . 1]" 5
102 2 51 A H4' 2 51 A H5' . . 2.700 2.433 2.411 2.462 . 0 0 "[ . 1]" 5
103 2 51 A H4' 2 51 A H5'' . . 2.700 2.457 2.429 2.482 . 0 0 "[ . 1]" 5
104 2 51 A H8 2 52 U H6 . . 5.000 4.836 4.574 5.016 0.016 6 0 "[ . 1]" 5
105 2 51 A H2' 2 52 U H6 . . 2.700 2.614 2.479 2.718 0.018 2 0 "[ . 1]" 5
106 2 51 A H3' 2 52 U H6 . . 3.300 3.303 3.179 3.347 0.047 8 0 "[ . 1]" 5
107 2 51 A H2 2 52 U H1' . . 5.000 4.201 3.491 4.796 . 0 0 "[ . 1]" 5
108 2 52 U H2' 2 52 U H6 . . 4.000 3.473 3.117 3.733 . 0 0 "[ . 1]" 5
109 2 52 U H3' 2 52 U H6 . . 3.000 2.501 2.328 2.682 . 0 0 "[ . 1]" 5
110 2 52 U H3' 2 52 U H5'' . . 3.300 2.967 2.838 3.033 . 0 0 "[ . 1]" 5
111 2 52 U H4' 2 52 U H5' . . 2.700 2.439 2.371 2.472 . 0 0 "[ . 1]" 5
112 2 52 U H4' 2 52 U H5'' . . 2.700 2.456 2.436 2.479 . 0 0 "[ . 1]" 5
113 2 52 U H2' 2 53 U H6 . . 2.700 2.482 2.139 2.798 0.098 8 0 "[ . 1]" 5
114 2 52 U H3' 2 53 U H6 . . 3.300 3.206 2.688 3.498 0.198 5 0 "[ . 1]" 5
115 2 53 U H2' 2 53 U H6 . . 4.000 3.567 3.096 3.998 . 0 0 "[ . 1]" 5
116 2 53 U H3' 2 53 U H6 . . 3.000 2.518 2.239 3.017 0.017 5 0 "[ . 1]" 5
117 2 53 U H3' 2 53 U H5'' . . 3.300 3.062 2.889 3.156 . 0 0 "[ . 1]" 5
118 2 53 U H4' 2 53 U H5' . . 2.700 2.504 2.415 2.551 . 0 0 "[ . 1]" 5
119 2 53 U H4' 2 53 U H5'' . . 2.700 2.405 2.343 2.484 . 0 0 "[ . 1]" 5
120 2 54 U H2' 2 54 U H6 . . 2.700 2.237 2.076 2.647 . 0 0 "[ . 1]" 5
121 2 54 U H1' 2 54 U H6 . . 3.700 3.212 2.845 3.644 . 0 0 "[ . 1]" 5
122 2 55 G H2' 2 55 G H8 . . 4.000 3.978 3.786 4.055 0.055 5 0 "[ . 1]" 5
123 2 55 G H3' 2 55 G H8 . . 3.000 2.698 2.441 2.859 . 0 0 "[ . 1]" 5
124 2 55 G H3' 2 55 G H5'' . . 3.300 2.798 2.384 3.032 . 0 0 "[ . 1]" 5
125 2 55 G H4' 2 55 G H5'' . . 2.700 2.724 2.438 2.975 0.275 4 0 "[ . 1]" 5
126 2 55 G H4' 2 55 G H5' . . 2.700 2.473 2.310 2.725 0.025 1 0 "[ . 1]" 5
127 2 55 G H8 2 56 G H8 . . 5.000 4.872 4.409 5.020 0.020 10 0 "[ . 1]" 5
128 2 55 G H2' 2 56 G H8 . . 2.700 2.201 2.110 2.286 . 0 0 "[ . 1]" 5
129 2 55 G H3' 2 56 G H8 . . 3.300 3.319 3.238 3.359 0.059 7 0 "[ . 1]" 5
130 2 56 G H2' 2 56 G H8 . . 4.000 4.016 3.895 4.059 0.059 10 0 "[ . 1]" 5
131 2 56 G H3' 2 56 G H8 . . 3.000 2.718 2.518 2.827 . 0 0 "[ . 1]" 5
132 2 56 G H3' 2 56 G H5'' . . 3.300 3.034 2.963 3.120 . 0 0 "[ . 1]" 5
133 2 56 G H4' 2 56 G H5' . . 2.700 2.422 2.380 2.464 . 0 0 "[ . 1]" 5
134 2 56 G H4' 2 56 G H5'' . . 2.700 2.442 2.399 2.489 . 0 0 "[ . 1]" 5
135 2 56 G H8 2 57 G H8 . . 5.000 4.960 4.690 5.032 0.032 10 0 "[ . 1]" 5
136 2 56 G H2' 2 57 G H8 . . 2.700 2.141 2.096 2.178 . 0 0 "[ . 1]" 5
137 2 56 G H3' 2 57 G H8 . . 3.300 3.361 3.349 3.374 0.074 4 0 "[ . 1]" 5
138 2 57 G H2' 2 57 G H8 . . 4.000 4.052 4.022 4.075 0.075 7 0 "[ . 1]" 5
139 2 57 G H3' 2 57 G H8 . . 3.000 2.943 2.856 2.991 . 0 0 "[ . 1]" 5
140 2 57 G H3' 2 57 G H5'' . . 3.300 2.942 2.916 3.024 . 0 0 "[ . 1]" 5
141 2 57 G H4' 2 57 G H5' . . 2.700 2.427 2.418 2.444 . 0 0 "[ . 1]" 5
142 2 57 G H4' 2 57 G H5'' . . 2.700 2.462 2.427 2.475 . 0 0 "[ . 1]" 5
143 2 57 G H8 2 58 G H8 . . 5.000 4.899 4.798 5.006 0.006 4 0 "[ . 1]" 5
144 2 57 G H2' 2 58 G H8 . . 2.700 2.190 2.149 2.239 . 0 0 "[ . 1]" 5
145 2 57 G H3' 2 58 G H8 . . 3.300 3.166 3.108 3.227 . 0 0 "[ . 1]" 5
146 2 58 G H2' 2 58 G H8 . . 4.000 4.027 3.999 4.039 0.039 8 0 "[ . 1]" 5
147 2 58 G H3' 2 58 G H8 . . 3.000 2.741 2.689 2.765 . 0 0 "[ . 1]" 5
148 2 58 G H3' 2 58 G H5'' . . 3.300 3.037 3.012 3.069 . 0 0 "[ . 1]" 5
149 2 58 G H4' 2 58 G H5' . . 2.700 2.449 2.431 2.470 . 0 0 "[ . 1]" 5
150 2 58 G H4' 2 58 G H5'' . . 2.700 2.422 2.406 2.447 . 0 0 "[ . 1]" 5
151 2 58 G H8 2 59 G H8 . . 5.000 5.019 5.003 5.033 0.033 2 0 "[ . 1]" 5
152 2 58 G H2' 2 59 G H8 . . 2.700 2.147 2.072 2.182 . 0 0 "[ . 1]" 5
153 2 58 G H3' 2 59 G H8 . . 3.300 3.327 3.319 3.338 0.038 5 0 "[ . 1]" 5
154 2 59 G H2' 2 59 G H8 . . 4.000 4.042 4.026 4.052 0.052 8 0 "[ . 1]" 5
155 2 59 G H3' 2 59 G H8 . . 3.000 3.031 3.023 3.037 0.037 7 0 "[ . 1]" 5
156 2 59 G H3' 2 59 G H5'' . . 3.300 2.885 2.869 2.914 . 0 0 "[ . 1]" 5
157 2 59 G H4' 2 59 G H5' . . 2.700 2.415 2.409 2.426 . 0 0 "[ . 1]" 5
158 2 59 G H4' 2 59 G H5'' . . 2.700 2.469 2.452 2.476 . 0 0 "[ . 1]" 5
159 2 59 G H8 2 60 C H6 . . 5.000 4.870 4.792 4.994 . 0 0 "[ . 1]" 5
160 2 59 G H2' 2 60 C H6 . . 2.700 2.391 2.326 2.474 . 0 0 "[ . 1]" 5
161 2 59 G H3' 2 60 C H6 . . 3.300 3.039 2.973 3.142 . 0 0 "[ . 1]" 5
162 2 60 C H2' 2 60 C H6 . . 4.000 3.730 3.645 3.787 . 0 0 "[ . 1]" 5
163 2 60 C H3' 2 60 C H6 . . 3.000 2.677 2.616 2.745 . 0 0 "[ . 1]" 5
164 2 60 C H3' 2 60 C H5'' . . 3.300 2.958 2.946 2.975 . 0 0 "[ . 1]" 5
165 2 60 C H4' 2 60 C H5' . . 2.700 2.442 2.431 2.454 . 0 0 "[ . 1]" 5
166 2 60 C H4' 2 60 C H5'' . . 2.700 2.449 2.440 2.455 . 0 0 "[ . 1]" 5
167 2 60 C H6 2 61 U H6 . . 5.000 4.732 4.594 4.841 . 0 0 "[ . 1]" 5
168 2 60 C H2' 2 61 U H6 . . 2.700 2.570 2.408 2.690 . 0 0 "[ . 1]" 5
169 2 60 C H3' 2 61 U H6 . . 3.300 3.210 3.076 3.293 . 0 0 "[ . 1]" 5
170 2 61 U H2' 2 61 U H6 . . 4.000 3.578 3.482 3.717 . 0 0 "[ . 1]" 5
171 2 61 U H3' 2 61 U H6 . . 3.000 2.379 2.297 2.514 . 0 0 "[ . 1]" 5
172 2 61 U H3' 2 61 U H5'' . . 3.300 3.016 2.991 3.055 . 0 0 "[ . 1]" 5
173 2 61 U H4' 2 61 U H5' . . 2.700 2.430 2.410 2.445 . 0 0 "[ . 1]" 5
174 2 61 U H4' 2 61 U H5'' . . 2.700 2.448 2.435 2.469 . 0 0 "[ . 1]" 5
175 2 61 U H6 2 62 C H6 . . 5.000 4.720 4.573 4.993 . 0 0 "[ . 1]" 5
176 2 61 U H2' 2 62 C H6 . . 2.700 2.285 2.079 2.394 . 0 0 "[ . 1]" 5
177 2 61 U H3' 2 62 C H6 . . 3.300 3.378 3.357 3.400 0.100 3 0 "[ . 1]" 5
178 2 62 C H2' 2 62 C H6 . . 4.000 3.489 3.343 3.690 . 0 0 "[ . 1]" 5
179 2 62 C H3' 2 62 C H6 . . 3.000 2.338 2.239 2.635 . 0 0 "[ . 1]" 5
180 2 62 C H3' 2 62 C H5'' . . 3.300 3.005 2.913 3.114 . 0 0 "[ . 1]" 5
181 2 62 C H4' 2 62 C H5' . . 2.700 2.458 2.435 2.482 . 0 0 "[ . 1]" 5
182 2 62 C H4' 2 62 C H5'' . . 2.700 2.449 2.409 2.481 . 0 0 "[ . 1]" 5
183 2 64 U H2' 2 64 U H6 . . 4.000 2.821 2.050 3.354 . 0 0 "[ . 1]" 5
184 2 64 U H3' 2 64 U H6 . . 3.000 2.325 2.049 2.535 . 0 0 "[ . 1]" 5
185 2 64 U H3' 2 64 U H5'' . . 3.300 2.963 2.699 3.211 . 0 0 "[ . 1]" 5
186 2 64 U H4' 2 64 U H5' . . 2.700 2.466 2.423 2.528 . 0 0 "[ . 1]" 5
187 2 64 U H4' 2 64 U H5'' . . 2.700 2.431 2.381 2.497 . 0 0 "[ . 1]" 5
188 2 65 G H2' 2 65 G H8 . . 4.000 3.873 3.647 4.054 0.054 5 0 "[ . 1]" 5
189 2 65 G H3' 2 65 G H8 . . 3.000 2.725 2.433 2.968 . 0 0 "[ . 1]" 5
190 2 65 G H3' 2 65 G H5'' . . 3.300 2.990 2.918 3.101 . 0 0 "[ . 1]" 5
191 2 65 G H4' 2 65 G H5' . . 2.700 2.454 2.433 2.487 . 0 0 "[ . 1]" 5
192 2 65 G H4' 2 65 G H5'' . . 2.700 2.432 2.390 2.457 . 0 0 "[ . 1]" 5
193 2 65 G H8 2 66 C H6 . . 5.000 4.776 4.457 5.001 0.001 10 0 "[ . 1]" 5
194 2 65 G H2' 2 66 C H6 . . 2.700 2.287 2.242 2.347 . 0 0 "[ . 1]" 5
195 2 65 G H3' 2 66 C H6 . . 3.300 3.269 3.147 3.336 0.036 2 0 "[ . 1]" 5
196 2 66 C H2' 2 66 C H6 . . 4.000 3.737 3.588 3.841 . 0 0 "[ . 1]" 5
197 2 66 C H3' 2 66 C H6 . . 3.000 2.533 2.418 2.625 . 0 0 "[ . 1]" 5
198 2 66 C H3' 2 66 C H5'' . . 3.300 3.012 2.982 3.052 . 0 0 "[ . 1]" 5
199 2 66 C H4' 2 66 C H5' . . 2.700 2.434 2.416 2.451 . 0 0 "[ . 1]" 5
200 2 66 C H4' 2 66 C H5'' . . 2.700 2.445 2.432 2.461 . 0 0 "[ . 1]" 5
201 2 66 C H6 2 67 C H6 . . 5.000 4.737 4.589 4.839 . 0 0 "[ . 1]" 5
202 2 66 C H2' 2 67 C H6 . . 2.700 2.239 2.183 2.381 . 0 0 "[ . 1]" 5
203 2 66 C H3' 2 67 C H6 . . 3.300 3.333 3.316 3.348 0.048 9 0 "[ . 1]" 5
204 2 67 C H2' 2 67 C H6 . . 4.000 3.766 3.532 3.880 . 0 0 "[ . 1]" 5
205 2 67 C H3' 2 67 C H6 . . 3.000 2.576 2.399 2.683 . 0 0 "[ . 1]" 5
206 2 67 C H3' 2 67 C H5'' . . 3.300 3.017 2.992 3.041 . 0 0 "[ . 1]" 5
207 2 67 C H4' 2 67 C H5' . . 2.700 2.437 2.427 2.453 . 0 0 "[ . 1]" 5
208 2 67 C H4' 2 67 C H5'' . . 2.700 2.440 2.432 2.449 . 0 0 "[ . 1]" 5
209 2 67 C H6 2 68 C H6 . . 5.000 4.732 4.510 4.826 . 0 0 "[ . 1]" 5
210 2 67 C H2' 2 68 C H6 . . 2.700 2.273 2.206 2.445 . 0 0 "[ . 1]" 5
211 2 67 C H3' 2 68 C H6 . . 3.300 3.331 3.313 3.346 0.046 8 0 "[ . 1]" 5
212 2 68 C H2' 2 68 C H6 . . 4.000 3.605 3.348 3.686 . 0 0 "[ . 1]" 5
213 2 68 C H3' 2 68 C H6 . . 3.000 2.555 2.361 2.657 . 0 0 "[ . 1]" 5
214 2 68 C H3' 2 68 C H5'' . . 3.300 3.016 2.983 3.081 . 0 0 "[ . 1]" 5
215 2 68 C H4' 2 68 C H5' . . 2.700 2.459 2.452 2.468 . 0 0 "[ . 1]" 5
216 2 68 C H4' 2 68 C H5'' . . 2.700 2.435 2.427 2.449 . 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 6
_Distance_constraint_stats_list.Viol_count 60
_Distance_constraint_stats_list.Viol_total 138.226
_Distance_constraint_stats_list.Viol_max 0.425
_Distance_constraint_stats_list.Viol_rms 0.0919
_Distance_constraint_stats_list.Viol_average_all_restraints 0.2304
_Distance_constraint_stats_list.Viol_average_violations_only 0.2304
_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 26 CYS 5.290 0.285 10 0 "[ . 1]"
1 29 CYS 5.926 0.325 5 0 "[ . 1]"
1 34 HIS 7.268 0.425 2 0 "[ . 1]"
1 39 CYS 9.161 0.425 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 26 CYS SG 1 39 CYS SG . . 3.850 4.103 4.072 4.135 0.285 10 0 "[ . 1]" 6
2 1 29 CYS SG 1 39 CYS SG . . 3.850 4.126 4.062 4.175 0.325 5 0 "[ . 1]" 6
3 1 26 CYS SG 1 29 CYS SG . . 3.850 3.977 3.923 3.998 0.148 1 0 "[ . 1]" 6
4 1 34 HIS NE2 1 39 CYS SG . . 3.850 4.237 4.207 4.275 0.425 2 0 "[ . 1]" 6
5 1 26 CYS SG 1 34 HIS NE2 . . 3.850 3.999 3.957 4.025 0.175 4 0 "[ . 1]" 6
6 1 29 CYS SG 1 34 HIS NE2 . . 3.850 4.040 4.005 4.083 0.233 6 0 "[ . 1]" 6
stop_
save_
save_distance_constraint_statistics_7
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 7
_Distance_constraint_stats_list.Constraint_count 42
_Distance_constraint_stats_list.Viol_count 48
_Distance_constraint_stats_list.Viol_total 18.386
_Distance_constraint_stats_list.Viol_max 0.096
_Distance_constraint_stats_list.Viol_rms 0.0154
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0044
_Distance_constraint_stats_list.Viol_average_violations_only 0.0383
_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 18 ARG 0.113 0.028 5 0 "[ . 1]"
1 21 LEU 0.074 0.025 5 0 "[ . 1]"
1 23 ARG 0.018 0.016 3 0 "[ . 1]"
1 25 GLN 0.000 0.000 . 0 "[ . 1]"
1 27 ALA 0.000 0.000 . 0 "[ . 1]"
1 28 TYR 1.490 0.096 3 0 "[ . 1]"
1 29 CYS 0.064 0.032 6 0 "[ . 1]"
1 30 LYS 0.064 0.039 1 0 "[ . 1]"
1 35 TRP 0.017 0.017 8 0 "[ . 1]"
1 36 ALA 0.000 0.000 . 0 "[ . 1]"
1 37 LYS 0.000 0.000 . 0 "[ . 1]"
1 41 LYS 0.000 0.000 . 0 "[ . 1]"
1 42 LYS 0.000 0.000 . 0 "[ . 1]"
2 15 U 0.760 0.096 3 0 "[ . 1]"
2 16 C 0.858 0.093 7 0 "[ . 1]"
2 17 U 0.182 0.028 5 0 "[ . 1]"
2 18 G 0.040 0.017 8 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 30 LYS QE 2 15 U H1' . . 5.800 5.130 4.404 5.839 0.039 1 0 "[ . 1]" 7
2 1 28 TYR HA 2 15 U H2' . . 5.000 2.908 2.456 3.237 . 0 0 "[ . 1]" 7
3 1 28 TYR QD 2 15 U H2' . . 3.200 2.599 2.309 2.935 . 0 0 "[ . 1]" 7
4 1 28 TYR QE 2 15 U H2' . . 3.200 3.263 3.218 3.296 0.096 3 0 "[ . 1]" 7
5 1 28 TYR QE 2 15 U H6 . . 5.100 2.748 2.420 3.229 . 0 0 "[ . 1]" 7
6 1 28 TYR QE 2 15 U H5 . . 5.100 3.160 2.620 3.458 . 0 0 "[ . 1]" 7
7 1 29 CYS HA 2 15 U H5 . . 5.000 4.788 3.898 5.032 0.032 6 0 "[ . 1]" 7
8 1 29 CYS QB 2 15 U H5 . . 5.800 4.339 3.474 4.754 . 0 0 "[ . 1]" 7
9 1 41 LYS QE 2 15 U H5 . . 5.900 4.726 3.558 5.414 . 0 0 "[ . 1]" 7
10 1 41 LYS QD 2 15 U H5 . . 5.800 3.897 2.790 4.841 . 0 0 "[ . 1]" 7
11 1 27 ALA MB 2 16 C H1' . . 5.500 3.225 2.846 3.802 . 0 0 "[ . 1]" 7
12 1 27 ALA MB 2 16 C H4' . . 3.800 2.480 2.071 3.033 . 0 0 "[ . 1]" 7
13 1 36 ALA MB 2 16 C H1' . . 3.800 2.416 1.968 2.800 . 0 0 "[ . 1]" 7
14 1 28 TYR QB 2 16 C H1' . . 5.500 2.566 2.175 3.459 . 0 0 "[ . 1]" 7
15 1 28 TYR HA 2 16 C H1' . . 5.000 3.591 2.921 4.767 . 0 0 "[ . 1]" 7
16 1 28 TYR QD 2 16 C H1' . . 5.100 3.544 3.323 4.044 . 0 0 "[ . 1]" 7
17 1 28 TYR HD1 2 16 C H6 . . 2.700 2.717 2.593 2.783 0.083 4 0 "[ . 1]" 7
18 1 28 TYR HE1 2 16 C H5 . . 2.700 2.733 2.552 2.793 0.093 7 0 "[ . 1]" 7
19 1 42 LYS QE 2 16 C H1' . . 5.800 4.864 3.579 5.795 . 0 0 "[ . 1]" 7
20 1 27 ALA MB 2 17 U H6 . . 3.800 3.197 2.730 3.561 . 0 0 "[ . 1]" 7
21 1 27 ALA MB 2 17 U H5 . . 3.800 2.319 2.092 2.585 . 0 0 "[ . 1]" 7
22 1 21 LEU MD1 2 17 U H6 . . 3.300 3.039 2.465 3.325 0.025 5 0 "[ . 1]" 7
23 1 21 LEU MD1 2 17 U H5 . . 3.300 2.590 2.164 3.274 . 0 0 "[ . 1]" 7
24 1 30 LYS QE 2 17 U H5 . . 5.800 4.580 3.823 5.493 . 0 0 "[ . 1]" 7
25 1 18 ARG HA 2 17 U H5 . . 5.000 4.666 4.107 5.024 0.024 4 0 "[ . 1]" 7
26 1 18 ARG QB 2 17 U H5 . . 5.800 5.235 3.388 5.828 0.028 5 0 "[ . 1]" 7
27 1 18 ARG QG 2 17 U H5 . . 5.800 4.630 3.592 5.194 . 0 0 "[ . 1]" 7
28 1 35 TRP HZ3 2 18 G H8 . . 5.000 4.435 3.837 5.017 0.017 8 0 "[ . 1]" 7
29 1 27 ALA MB 2 18 G H8 . . 6.500 4.209 4.051 4.664 . 0 0 "[ . 1]" 7
30 1 36 ALA MB 2 18 G H8 . . 6.500 5.807 5.664 5.943 . 0 0 "[ . 1]" 7
31 1 21 LEU MD1 2 18 G H8 . . 6.500 4.864 4.070 5.650 . 0 0 "[ . 1]" 7
32 1 21 LEU MD1 2 18 G H1' . . 4.800 3.823 2.800 4.805 0.005 4 0 "[ . 1]" 7
33 1 37 LYS QE 2 18 G H8 . . 5.800 5.106 4.568 5.754 . 0 0 "[ . 1]" 7
34 1 35 TRP HZ3 2 18 G H2' . . 5.000 2.577 2.316 2.991 . 0 0 "[ . 1]" 7
35 1 35 TRP HH2 2 18 G H1' . . 5.000 4.172 3.579 4.581 . 0 0 "[ . 1]" 7
36 1 35 TRP HH2 2 18 G H2' . . 5.000 2.504 2.298 3.127 . 0 0 "[ . 1]" 7
37 1 23 ARG QD 2 18 G H1' . . 4.100 3.702 3.021 4.116 0.016 3 0 "[ . 1]" 7
38 1 35 TRP HE1 2 18 G Q2 . . 4.100 3.324 3.046 3.580 . 0 0 "[ . 1]" 7
39 1 21 LEU MD2 2 18 G Q2 . . 3.800 2.866 2.379 3.332 . 0 0 "[ . 1]" 7
40 1 21 LEU QB 2 18 G Q2 . . 6.300 4.583 3.321 5.451 . 0 0 "[ . 1]" 7
41 1 23 ARG HA 2 18 G Q2 . . 5.800 2.073 1.903 2.380 . 0 0 "[ . 1]" 7
42 1 25 GLN H 2 18 G Q2 . . 4.100 2.312 2.203 2.387 . 0 0 "[ . 1]" 7
stop_
save_
save_distance_constraint_statistics_8
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 8
_Distance_constraint_stats_list.Constraint_count 136
_Distance_constraint_stats_list.Viol_count 664
_Distance_constraint_stats_list.Viol_total 249.107
_Distance_constraint_stats_list.Viol_max 0.068
_Distance_constraint_stats_list.Viol_rms 0.0207
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0183
_Distance_constraint_stats_list.Viol_average_violations_only 0.0375
_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
2 1 G 0.466 0.051 1 0 "[ . 1]"
2 2 G 0.444 0.049 8 0 "[ . 1]"
2 3 G 0.467 0.051 1 0 "[ . 1]"
2 4 C 0.433 0.052 5 0 "[ . 1]"
2 5 G 0.503 0.058 10 0 "[ . 1]"
2 6 A 0.345 0.043 1 0 "[ . 1]"
2 7 G 0.328 0.045 1 0 "[ . 1]"
2 8 G 0.376 0.044 2 0 "[ . 1]"
2 9 G 0.405 0.062 8 0 "[ . 1]"
2 10 U 0.368 0.043 4 0 "[ . 1]"
2 11 C 0.276 0.040 6 0 "[ . 1]"
2 12 U 0.554 0.060 7 0 "[ . 1]"
2 13 C 0.343 0.039 8 0 "[ . 1]"
2 14 C 0.338 0.046 2 0 "[ . 1]"
2 15 U 0.151 0.044 9 0 "[ . 1]"
2 16 C 0.295 0.042 9 0 "[ . 1]"
2 17 U 0.285 0.052 2 0 "[ . 1]"
2 18 G 0.197 0.039 9 0 "[ . 1]"
2 19 A 0.321 0.042 10 0 "[ . 1]"
2 20 G 0.342 0.050 7 0 "[ . 1]"
2 21 U 0.511 0.057 9 0 "[ . 1]"
2 22 G 0.391 0.046 10 0 "[ . 1]"
2 23 A 0.350 0.042 2 0 "[ . 1]"
2 24 U 0.432 0.046 9 0 "[ . 1]"
2 25 U 0.401 0.046 4 0 "[ . 1]"
2 26 G 0.276 0.055 4 0 "[ . 1]"
2 27 A 0.413 0.047 5 0 "[ . 1]"
2 28 C 0.231 0.035 5 0 "[ . 1]"
2 29 U 0.222 0.037 5 0 "[ . 1]"
2 30 A 0.517 0.061 1 0 "[ . 1]"
2 31 C 0.449 0.050 2 0 "[ . 1]"
2 32 C 0.401 0.044 8 0 "[ . 1]"
2 33 C 0.396 0.045 5 0 "[ . 1]"
2 34 G 0.387 0.047 9 0 "[ . 1]"
2 35 U 0.493 0.068 5 0 "[ . 1]"
2 36 C 0.422 0.048 9 0 "[ . 1]"
2 37 A 0.149 0.041 2 0 "[ . 1]"
2 38 G 0.245 0.045 6 0 "[ . 1]"
2 39 C 0.027 0.014 3 0 "[ . 1]"
2 40 G 0.375 0.045 4 0 "[ . 1]"
2 41 G 0.399 0.044 2 0 "[ . 1]"
2 42 G 0.354 0.045 2 0 "[ . 1]"
2 43 G 0.499 0.052 6 0 "[ . 1]"
2 44 G 0.432 0.048 4 0 "[ . 1]"
2 45 U 0.226 0.030 5 0 "[ . 1]"
2 46 C 0.466 0.053 4 0 "[ . 1]"
2 47 U 0.506 0.060 4 0 "[ . 1]"
2 48 U 0.613 0.068 4 0 "[ . 1]"
2 49 U 0.188 0.037 2 0 "[ . 1]"
2 50 C 0.444 0.052 2 0 "[ . 1]"
2 51 A 0.364 0.049 8 0 "[ . 1]"
2 52 U 0.269 0.045 5 0 "[ . 1]"
2 53 U 0.272 0.043 1 0 "[ . 1]"
2 54 U 0.306 0.056 8 0 "[ . 1]"
2 55 G 0.388 0.054 2 0 "[ . 1]"
2 56 G 0.489 0.052 3 0 "[ . 1]"
2 57 G 0.434 0.050 2 0 "[ . 1]"
2 58 G 0.503 0.054 2 0 "[ . 1]"
2 59 G 0.421 0.046 6 0 "[ . 1]"
2 60 C 0.404 0.044 8 0 "[ . 1]"
2 61 U 0.412 0.048 4 0 "[ . 1]"
2 62 C 0.243 0.047 3 0 "[ . 1]"
2 63 G 0.193 0.038 1 0 "[ . 1]"
2 64 U 0.143 0.030 4 0 "[ . 1]"
2 65 G 0.349 0.041 3 0 "[ . 1]"
2 66 C 0.472 0.052 7 0 "[ . 1]"
2 67 C 0.450 0.048 2 0 "[ . 1]"
2 68 C 0.352 0.042 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 2 1 G C4' 2 1 G O4' . . 1.460 1.428 1.427 1.430 . 0 0 "[ . 1]" 8
2 2 2 G C4' 2 2 G O4' . . 1.460 1.428 1.426 1.429 . 0 0 "[ . 1]" 8
3 2 3 G C4' 2 3 G O4' . . 1.460 1.427 1.426 1.428 . 0 0 "[ . 1]" 8
4 2 4 C C4' 2 4 C O4' . . 1.460 1.428 1.427 1.430 . 0 0 "[ . 1]" 8
5 2 5 G C4' 2 5 G O4' . . 1.460 1.426 1.425 1.427 . 0 0 "[ . 1]" 8
6 2 6 A C4' 2 6 A O4' . . 1.460 1.426 1.425 1.429 . 0 0 "[ . 1]" 8
7 2 7 G C4' 2 7 G O4' . . 1.460 1.428 1.427 1.429 . 0 0 "[ . 1]" 8
8 2 8 G C4' 2 8 G O4' . . 1.460 1.427 1.425 1.428 . 0 0 "[ . 1]" 8
9 2 9 G C4' 2 9 G O4' . . 1.460 1.428 1.427 1.430 . 0 0 "[ . 1]" 8
10 2 10 U C4' 2 10 U O4' . . 1.460 1.427 1.426 1.428 . 0 0 "[ . 1]" 8
11 2 11 C C4' 2 11 C O4' . . 1.460 1.428 1.424 1.430 . 0 0 "[ . 1]" 8
12 2 12 U C4' 2 12 U O4' . . 1.460 1.427 1.426 1.429 . 0 0 "[ . 1]" 8
13 2 13 C C4' 2 13 C O4' . . 1.460 1.427 1.425 1.429 . 0 0 "[ . 1]" 8
14 2 14 C C4' 2 14 C O4' . . 1.460 1.429 1.426 1.432 . 0 0 "[ . 1]" 8
15 2 15 U C4' 2 15 U O4' . . 1.460 1.420 1.414 1.426 . 0 0 "[ . 1]" 8
16 2 16 C C4' 2 16 C O4' . . 1.460 1.424 1.421 1.428 . 0 0 "[ . 1]" 8
17 2 17 U C4' 2 17 U O4' . . 1.460 1.422 1.414 1.426 . 0 0 "[ . 1]" 8
18 2 18 G C4' 2 18 G O4' . . 1.460 1.424 1.421 1.427 . 0 0 "[ . 1]" 8
19 2 19 A C4' 2 19 A O4' . . 1.460 1.428 1.425 1.431 . 0 0 "[ . 1]" 8
20 2 20 G C4' 2 20 G O4' . . 1.460 1.427 1.424 1.429 . 0 0 "[ . 1]" 8
21 2 21 U C4' 2 21 U O4' . . 1.460 1.427 1.425 1.429 . 0 0 "[ . 1]" 8
22 2 22 G C4' 2 22 G O4' . . 1.460 1.426 1.426 1.427 . 0 0 "[ . 1]" 8
23 2 23 A C4' 2 23 A O4' . . 1.460 1.426 1.425 1.427 . 0 0 "[ . 1]" 8
24 2 24 U C4' 2 24 U O4' . . 1.460 1.426 1.424 1.428 . 0 0 "[ . 1]" 8
25 2 25 U C4' 2 25 U O4' . . 1.460 1.428 1.425 1.430 . 0 0 "[ . 1]" 8
26 2 26 G C4' 2 26 G O4' . . 1.460 1.429 1.426 1.431 . 0 0 "[ . 1]" 8
27 2 27 A C4' 2 27 A O4' . . 1.460 1.428 1.427 1.430 . 0 0 "[ . 1]" 8
28 2 28 C C4' 2 28 C O4' . . 1.460 1.428 1.426 1.429 . 0 0 "[ . 1]" 8
29 2 29 U C4' 2 29 U O4' . . 1.460 1.423 1.421 1.426 . 0 0 "[ . 1]" 8
30 2 30 A C4' 2 30 A O4' . . 1.460 1.427 1.426 1.429 . 0 0 "[ . 1]" 8
31 2 31 C C4' 2 31 C O4' . . 1.460 1.427 1.426 1.429 . 0 0 "[ . 1]" 8
32 2 32 C C4' 2 32 C O4' . . 1.460 1.426 1.424 1.428 . 0 0 "[ . 1]" 8
33 2 33 C C4' 2 33 C O4' . . 1.460 1.428 1.425 1.429 . 0 0 "[ . 1]" 8
34 2 34 G C4' 2 34 G O4' . . 1.460 1.427 1.425 1.428 . 0 0 "[ . 1]" 8
35 2 35 U C4' 2 35 U O4' . . 1.460 1.429 1.424 1.432 . 0 0 "[ . 1]" 8
36 2 36 C C4' 2 36 C O4' . . 1.460 1.427 1.425 1.430 . 0 0 "[ . 1]" 8
37 2 37 A C4' 2 37 A O4' . . 1.460 1.421 1.418 1.424 . 0 0 "[ . 1]" 8
38 2 38 G C4' 2 38 G O4' . . 1.460 1.420 1.417 1.430 . 0 0 "[ . 1]" 8
39 2 39 C C4' 2 39 C O4' . . 1.460 1.423 1.420 1.428 . 0 0 "[ . 1]" 8
40 2 40 G C4' 2 40 G O4' . . 1.460 1.426 1.424 1.427 . 0 0 "[ . 1]" 8
41 2 41 G C4' 2 41 G O4' . . 1.460 1.428 1.427 1.429 . 0 0 "[ . 1]" 8
42 2 42 G C4' 2 42 G O4' . . 1.460 1.428 1.427 1.429 . 0 0 "[ . 1]" 8
43 2 43 G C4' 2 43 G O4' . . 1.460 1.429 1.427 1.429 . 0 0 "[ . 1]" 8
44 2 44 G C4' 2 44 G O4' . . 1.460 1.427 1.424 1.429 . 0 0 "[ . 1]" 8
45 2 45 U C4' 2 45 U O4' . . 1.460 1.426 1.426 1.428 . 0 0 "[ . 1]" 8
46 2 46 C C4' 2 46 C O4' . . 1.460 1.431 1.430 1.432 . 0 0 "[ . 1]" 8
47 2 47 U C4' 2 47 U O4' . . 1.460 1.427 1.426 1.428 . 0 0 "[ . 1]" 8
48 2 48 U C4' 2 48 U O4' . . 1.460 1.427 1.426 1.428 . 0 0 "[ . 1]" 8
49 2 49 U C4' 2 49 U O4' . . 1.460 1.425 1.423 1.427 . 0 0 "[ . 1]" 8
50 2 50 C C4' 2 50 C O4' . . 1.460 1.427 1.424 1.429 . 0 0 "[ . 1]" 8
51 2 51 A C4' 2 51 A O4' . . 1.460 1.425 1.423 1.427 . 0 0 "[ . 1]" 8
52 2 52 U C4' 2 52 U O4' . . 1.460 1.423 1.420 1.427 . 0 0 "[ . 1]" 8
53 2 53 U C4' 2 53 U O4' . . 1.460 1.424 1.420 1.427 . 0 0 "[ . 1]" 8
54 2 54 U C4' 2 54 U O4' . . 1.460 1.424 1.422 1.427 . 0 0 "[ . 1]" 8
55 2 55 G C4' 2 55 G O4' . . 1.460 1.428 1.424 1.431 . 0 0 "[ . 1]" 8
56 2 56 G C4' 2 56 G O4' . . 1.460 1.428 1.427 1.430 . 0 0 "[ . 1]" 8
57 2 57 G C4' 2 57 G O4' . . 1.460 1.428 1.426 1.430 . 0 0 "[ . 1]" 8
58 2 58 G C4' 2 58 G O4' . . 1.460 1.429 1.428 1.430 . 0 0 "[ . 1]" 8
59 2 59 G C4' 2 59 G O4' . . 1.460 1.427 1.425 1.429 . 0 0 "[ . 1]" 8
60 2 60 C C4' 2 60 C O4' . . 1.460 1.428 1.426 1.429 . 0 0 "[ . 1]" 8
61 2 61 U C4' 2 61 U O4' . . 1.460 1.426 1.425 1.427 . 0 0 "[ . 1]" 8
62 2 62 C C4' 2 62 C O4' . . 1.460 1.427 1.424 1.429 . 0 0 "[ . 1]" 8
63 2 63 G C4' 2 63 G O4' . . 1.460 1.423 1.416 1.425 . 0 0 "[ . 1]" 8
64 2 64 U C4' 2 64 U O4' . . 1.460 1.424 1.419 1.431 . 0 0 "[ . 1]" 8
65 2 65 G C4' 2 65 G O4' . . 1.460 1.426 1.425 1.428 . 0 0 "[ . 1]" 8
66 2 66 C C4' 2 66 C O4' . . 1.460 1.428 1.427 1.430 . 0 0 "[ . 1]" 8
67 2 67 C C4' 2 67 C O4' . . 1.460 1.427 1.426 1.428 . 0 0 "[ . 1]" 8
68 2 68 C C4' 2 68 C O4' . . 1.460 1.426 1.424 1.427 . 0 0 "[ . 1]" 8
69 2 1 G C5' 2 1 G O4' . . 2.420 2.467 2.464 2.471 0.051 1 0 "[ . 1]" 8
70 2 2 G C5' 2 2 G O4' . . 2.420 2.464 2.459 2.469 0.049 8 0 "[ . 1]" 8
71 2 3 G C5' 2 3 G O4' . . 2.420 2.467 2.459 2.471 0.051 1 0 "[ . 1]" 8
72 2 4 C C5' 2 4 C O4' . . 2.420 2.463 2.456 2.472 0.052 5 0 "[ . 1]" 8
73 2 5 G C5' 2 5 G O4' . . 2.420 2.470 2.461 2.478 0.058 10 0 "[ . 1]" 8
74 2 6 A C5' 2 6 A O4' . . 2.420 2.455 2.447 2.463 0.043 1 0 "[ . 1]" 8
75 2 7 G C5' 2 7 G O4' . . 2.420 2.453 2.444 2.465 0.045 1 0 "[ . 1]" 8
76 2 8 G C5' 2 8 G O4' . . 2.420 2.458 2.452 2.464 0.044 2 0 "[ . 1]" 8
77 2 9 G C5' 2 9 G O4' . . 2.420 2.461 2.453 2.482 0.062 8 0 "[ . 1]" 8
78 2 10 U C5' 2 10 U O4' . . 2.420 2.457 2.443 2.463 0.043 4 0 "[ . 1]" 8
79 2 11 C C5' 2 11 C O4' . . 2.420 2.448 2.436 2.460 0.040 6 0 "[ . 1]" 8
80 2 12 U C5' 2 12 U O4' . . 2.420 2.475 2.460 2.480 0.060 7 0 "[ . 1]" 8
81 2 13 C C5' 2 13 C O4' . . 2.420 2.454 2.446 2.459 0.039 8 0 "[ . 1]" 8
82 2 14 C C5' 2 14 C O4' . . 2.420 2.454 2.434 2.466 0.046 2 0 "[ . 1]" 8
83 2 15 U C5' 2 15 U O4' . . 2.420 2.433 2.399 2.464 0.044 9 0 "[ . 1]" 8
84 2 16 C C5' 2 16 C O4' . . 2.420 2.449 2.415 2.462 0.042 9 0 "[ . 1]" 8
85 2 17 U C5' 2 17 U O4' . . 2.420 2.444 2.372 2.472 0.052 2 0 "[ . 1]" 8
86 2 18 G C5' 2 18 G O4' . . 2.420 2.439 2.411 2.459 0.039 9 0 "[ . 1]" 8
87 2 19 A C5' 2 19 A O4' . . 2.420 2.452 2.439 2.462 0.042 10 0 "[ . 1]" 8
88 2 20 G C5' 2 20 G O4' . . 2.420 2.454 2.439 2.470 0.050 7 0 "[ . 1]" 8
89 2 21 U C5' 2 21 U O4' . . 2.420 2.471 2.463 2.477 0.057 9 0 "[ . 1]" 8
90 2 22 G C5' 2 22 G O4' . . 2.420 2.459 2.445 2.466 0.046 10 0 "[ . 1]" 8
91 2 23 A C5' 2 23 A O4' . . 2.420 2.455 2.445 2.462 0.042 2 0 "[ . 1]" 8
92 2 24 U C5' 2 24 U O4' . . 2.420 2.463 2.455 2.466 0.046 9 0 "[ . 1]" 8
93 2 25 U C5' 2 25 U O4' . . 2.420 2.460 2.457 2.466 0.046 4 0 "[ . 1]" 8
94 2 26 G C5' 2 26 G O4' . . 2.420 2.448 2.435 2.475 0.055 4 0 "[ . 1]" 8
95 2 27 A C5' 2 27 A O4' . . 2.420 2.461 2.455 2.467 0.047 5 0 "[ . 1]" 8
96 2 28 C C5' 2 28 C O4' . . 2.420 2.443 2.435 2.455 0.035 5 0 "[ . 1]" 8
97 2 29 U C5' 2 29 U O4' . . 2.420 2.442 2.432 2.457 0.037 5 0 "[ . 1]" 8
98 2 30 A C5' 2 30 A O4' . . 2.420 2.472 2.460 2.481 0.061 1 0 "[ . 1]" 8
99 2 31 C C5' 2 31 C O4' . . 2.420 2.465 2.460 2.470 0.050 2 0 "[ . 1]" 8
100 2 32 C C5' 2 32 C O4' . . 2.420 2.460 2.457 2.464 0.044 8 0 "[ . 1]" 8
101 2 33 C C5' 2 33 C O4' . . 2.420 2.460 2.448 2.465 0.045 5 0 "[ . 1]" 8
102 2 34 G C5' 2 34 G O4' . . 2.420 2.459 2.450 2.467 0.047 9 0 "[ . 1]" 8
103 2 35 U C5' 2 35 U O4' . . 2.420 2.469 2.424 2.488 0.068 5 0 "[ . 1]" 8
104 2 36 C C5' 2 36 C O4' . . 2.420 2.462 2.455 2.468 0.048 9 0 "[ . 1]" 8
105 2 37 A C5' 2 37 A O4' . . 2.420 2.430 2.405 2.461 0.041 2 0 "[ . 1]" 8
106 2 38 G C5' 2 38 G O4' . . 2.420 2.445 2.431 2.465 0.045 6 0 "[ . 1]" 8
107 2 39 C C5' 2 39 C O4' . . 2.420 2.416 2.389 2.434 0.014 3 0 "[ . 1]" 8
108 2 40 G C5' 2 40 G O4' . . 2.420 2.457 2.453 2.465 0.045 4 0 "[ . 1]" 8
109 2 41 G C5' 2 41 G O4' . . 2.420 2.460 2.454 2.464 0.044 2 0 "[ . 1]" 8
110 2 42 G C5' 2 42 G O4' . . 2.420 2.455 2.447 2.465 0.045 2 0 "[ . 1]" 8
111 2 43 G C5' 2 43 G O4' . . 2.420 2.470 2.467 2.472 0.052 6 0 "[ . 1]" 8
112 2 44 G C5' 2 44 G O4' . . 2.420 2.463 2.458 2.468 0.048 4 0 "[ . 1]" 8
113 2 45 U C5' 2 45 U O4' . . 2.420 2.443 2.437 2.450 0.030 5 0 "[ . 1]" 8
114 2 46 C C5' 2 46 C O4' . . 2.420 2.467 2.457 2.473 0.053 4 0 "[ . 1]" 8
115 2 47 U C5' 2 47 U O4' . . 2.420 2.471 2.465 2.480 0.060 4 0 "[ . 1]" 8
116 2 48 U C5' 2 48 U O4' . . 2.420 2.481 2.467 2.488 0.068 4 0 "[ . 1]" 8
117 2 49 U C5' 2 49 U O4' . . 2.420 2.439 2.431 2.457 0.037 2 0 "[ . 1]" 8
118 2 50 C C5' 2 50 C O4' . . 2.420 2.464 2.458 2.472 0.052 2 0 "[ . 1]" 8
119 2 51 A C5' 2 51 A O4' . . 2.420 2.456 2.453 2.469 0.049 8 0 "[ . 1]" 8
120 2 52 U C5' 2 52 U O4' . . 2.420 2.447 2.421 2.465 0.045 5 0 "[ . 1]" 8
121 2 53 U C5' 2 53 U O4' . . 2.420 2.445 2.398 2.463 0.043 1 0 "[ . 1]" 8
122 2 54 U C5' 2 54 U O4' . . 2.420 2.451 2.427 2.476 0.056 8 0 "[ . 1]" 8
123 2 55 G C5' 2 55 G O4' . . 2.420 2.459 2.437 2.474 0.054 2 0 "[ . 1]" 8
124 2 56 G C5' 2 56 G O4' . . 2.420 2.469 2.467 2.472 0.052 3 0 "[ . 1]" 8
125 2 57 G C5' 2 57 G O4' . . 2.420 2.463 2.460 2.470 0.050 2 0 "[ . 1]" 8
126 2 58 G C5' 2 58 G O4' . . 2.420 2.470 2.463 2.474 0.054 2 0 "[ . 1]" 8
127 2 59 G C5' 2 59 G O4' . . 2.420 2.462 2.458 2.466 0.046 6 0 "[ . 1]" 8
128 2 60 C C5' 2 60 C O4' . . 2.420 2.460 2.456 2.464 0.044 8 0 "[ . 1]" 8
129 2 61 U C5' 2 61 U O4' . . 2.420 2.461 2.454 2.468 0.048 4 0 "[ . 1]" 8
130 2 62 C C5' 2 62 C O4' . . 2.420 2.444 2.429 2.467 0.047 3 0 "[ . 1]" 8
131 2 63 G C5' 2 63 G O4' . . 2.420 2.439 2.427 2.458 0.038 1 0 "[ . 1]" 8
132 2 64 U C5' 2 64 U O4' . . 2.420 2.434 2.422 2.450 0.030 4 0 "[ . 1]" 8
133 2 65 G C5' 2 65 G O4' . . 2.420 2.455 2.443 2.461 0.041 3 0 "[ . 1]" 8
134 2 66 C C5' 2 66 C O4' . . 2.420 2.467 2.460 2.472 0.052 7 0 "[ . 1]" 8
135 2 67 C C5' 2 67 C O4' . . 2.420 2.465 2.454 2.468 0.048 2 0 "[ . 1]" 8
136 2 68 C C5' 2 68 C O4' . . 2.420 2.455 2.445 2.462 0.042 1 0 "[ . 1]" 8
stop_
save_
save_distance_constraint_statistics_9
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 9
_Distance_constraint_stats_list.Constraint_count 26
_Distance_constraint_stats_list.Viol_count 100
_Distance_constraint_stats_list.Viol_total 56.552
_Distance_constraint_stats_list.Viol_max 0.240
_Distance_constraint_stats_list.Viol_rms 0.0359
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0218
_Distance_constraint_stats_list.Viol_average_violations_only 0.0566
_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 18 ARG 1.084 0.240 6 0 "[ . 1]"
1 21 LEU 1.084 0.240 6 0 "[ . 1]"
1 22 ASP 0.504 0.121 3 0 "[ . 1]"
1 23 ARG 0.000 0.000 . 0 "[ . 1]"
1 24 ASP 0.000 0.000 . 0 "[ . 1]"
1 25 GLN 0.504 0.121 3 0 "[ . 1]"
1 26 CYS 0.733 0.088 3 0 "[ . 1]"
1 28 TYR 0.000 0.000 . 0 "[ . 1]"
1 29 CYS 0.316 0.065 5 0 "[ . 1]"
1 30 LYS 0.700 0.088 3 0 "[ . 1]"
1 31 GLU 0.349 0.065 5 0 "[ . 1]"
1 33 GLY 0.000 0.000 . 0 "[ . 1]"
1 35 TRP 0.009 0.009 7 0 "[ . 1]"
1 36 ALA 1.464 0.100 8 0 "[ . 1]"
1 38 ASP 0.009 0.009 7 0 "[ . 1]"
1 39 CYS 3.009 0.119 6 0 "[ . 1]"
1 41 LYS 0.152 0.071 7 0 "[ . 1]"
1 42 LYS 1.392 0.119 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 18 ARG O 1 21 LEU N . . 3.000 2.995 2.943 3.052 0.052 2 0 "[ . 1]" 9
2 1 18 ARG O 1 21 LEU H . . 2.000 2.098 2.040 2.240 0.240 6 0 "[ . 1]" 9
3 1 22 ASP O 1 25 GLN N . . 3.000 2.998 2.956 3.035 0.035 6 0 "[ . 1]" 9
4 1 22 ASP O 1 25 GLN H . . 2.000 2.041 2.022 2.121 0.121 3 0 "[ . 1]" 9
5 1 24 ASP O 1 33 GLY N . . 3.100 2.920 2.830 3.088 . 0 0 "[ . 1]" 9
6 1 24 ASP O 1 33 GLY H . . 2.100 1.939 1.843 2.092 . 0 0 "[ . 1]" 9
7 1 26 CYS N 1 31 GLU O . . 3.000 2.903 2.849 2.953 . 0 0 "[ . 1]" 9
8 1 26 CYS H 1 31 GLU O . . 2.000 1.966 1.879 2.017 0.017 1 0 "[ . 1]" 9
9 1 26 CYS O 1 30 LYS N . . 3.000 2.893 2.859 2.918 . 0 0 "[ . 1]" 9
10 1 26 CYS O 1 30 LYS H . . 2.000 2.070 2.045 2.088 0.088 3 0 "[ . 1]" 9
11 1 26 CYS SG 1 28 TYR H . . 2.650 2.446 2.296 2.595 . 0 0 "[ . 1]" 9
12 1 26 CYS SG 1 28 TYR N . . 3.650 3.294 3.234 3.366 . 0 0 "[ . 1]" 9
13 1 29 CYS SG 1 31 GLU H . . 2.550 2.582 2.551 2.615 0.065 5 0 "[ . 1]" 9
14 1 29 CYS SG 1 31 GLU N . . 3.650 3.526 3.507 3.561 . 0 0 "[ . 1]" 9
15 1 26 CYS SG 1 29 CYS H . . 2.650 2.401 2.322 2.466 . 0 0 "[ . 1]" 9
16 1 26 CYS SG 1 29 CYS N . . 3.650 3.389 3.302 3.436 . 0 0 "[ . 1]" 9
17 1 35 TRP O 1 38 ASP N . . 3.000 2.926 2.885 2.987 . 0 0 "[ . 1]" 9
18 1 35 TRP O 1 38 ASP H . . 2.000 1.967 1.938 2.009 0.009 7 0 "[ . 1]" 9
19 1 36 ALA O 1 39 CYS N . . 3.000 3.074 3.050 3.100 0.100 8 0 "[ . 1]" 9
20 1 36 ALA O 1 39 CYS H . . 2.000 2.072 2.048 2.095 0.095 4 0 "[ . 1]" 9
21 1 39 CYS SG 1 41 LYS H . . 2.650 2.622 2.482 2.721 0.071 7 0 "[ . 1]" 9
22 1 39 CYS SG 1 41 LYS N . . 3.650 3.555 3.429 3.691 0.041 7 0 "[ . 1]" 9
23 1 39 CYS O 1 42 LYS H . . 2.200 2.281 2.249 2.319 0.119 6 0 "[ . 1]" 9
24 1 39 CYS O 1 42 LYS N . . 3.200 3.258 3.212 3.300 0.100 7 0 "[ . 1]" 9
25 1 23 ARG O 1 35 TRP HE1 . . 2.000 1.892 1.846 1.947 . 0 0 "[ . 1]" 9
26 1 23 ARG O 1 35 TRP NE1 . . 3.000 2.868 2.827 2.912 . 0 0 "[ . 1]" 9
stop_
save_
save_distance_constraint_statistics_10
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 10
_Distance_constraint_stats_list.Constraint_count 132
_Distance_constraint_stats_list.Viol_count 257
_Distance_constraint_stats_list.Viol_total 61.268
_Distance_constraint_stats_list.Viol_max 0.145
_Distance_constraint_stats_list.Viol_rms 0.0133
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0046
_Distance_constraint_stats_list.Viol_average_violations_only 0.0238
_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
2 1 G 0.375 0.041 8 0 "[ . 1]"
2 2 G 0.224 0.027 4 0 "[ . 1]"
2 3 G 0.223 0.030 9 0 "[ . 1]"
2 4 C 0.261 0.036 3 0 "[ . 1]"
2 7 G 0.261 0.036 5 0 "[ . 1]"
2 9 G 0.123 0.019 1 0 "[ . 1]"
2 10 U 0.000 0.000 . 0 "[ . 1]"
2 11 C 0.102 0.016 3 0 "[ . 1]"
2 12 U 0.030 0.023 9 0 "[ . 1]"
2 13 C 0.225 0.029 6 0 "[ . 1]"
2 14 C 0.332 0.044 8 0 "[ . 1]"
2 20 G 0.219 0.080 2 0 "[ . 1]"
2 21 U 0.356 0.052 9 0 "[ . 1]"
2 22 G 0.286 0.032 5 0 "[ . 1]"
2 23 A 0.224 0.048 3 0 "[ . 1]"
2 24 U 0.207 0.030 9 0 "[ . 1]"
2 25 U 0.320 0.062 4 0 "[ . 1]"
2 26 G 0.071 0.030 4 0 "[ . 1]"
2 27 A 0.365 0.049 7 0 "[ . 1]"
2 28 C 0.265 0.031 6 0 "[ . 1]"
2 29 U 1.053 0.145 1 0 "[ . 1]"
2 31 C 0.213 0.030 2 0 "[ . 1]"
2 32 C 0.222 0.029 7 0 "[ . 1]"
2 33 C 0.153 0.024 8 0 "[ . 1]"
2 34 G 0.015 0.008 7 0 "[ . 1]"
2 39 C 0.015 0.008 7 0 "[ . 1]"
2 40 G 0.153 0.024 8 0 "[ . 1]"
2 41 G 0.222 0.029 7 0 "[ . 1]"
2 42 G 0.213 0.030 2 0 "[ . 1]"
2 43 G 1.053 0.145 1 0 "[ . 1]"
2 44 G 0.265 0.031 6 0 "[ . 1]"
2 45 U 0.365 0.049 7 0 "[ . 1]"
2 46 C 0.071 0.030 4 0 "[ . 1]"
2 47 U 0.320 0.062 4 0 "[ . 1]"
2 48 U 0.207 0.030 9 0 "[ . 1]"
2 49 U 0.224 0.048 3 0 "[ . 1]"
2 50 C 0.286 0.032 5 0 "[ . 1]"
2 51 A 0.356 0.052 9 0 "[ . 1]"
2 52 U 0.219 0.080 2 0 "[ . 1]"
2 55 G 0.332 0.044 8 0 "[ . 1]"
2 56 G 0.225 0.029 6 0 "[ . 1]"
2 57 G 0.030 0.023 9 0 "[ . 1]"
2 58 G 0.102 0.016 3 0 "[ . 1]"
2 59 G 0.000 0.000 . 0 "[ . 1]"
2 60 C 0.123 0.019 1 0 "[ . 1]"
2 62 C 0.261 0.036 5 0 "[ . 1]"
2 65 G 0.261 0.036 3 0 "[ . 1]"
2 66 C 0.223 0.030 9 0 "[ . 1]"
2 67 C 0.224 0.027 4 0 "[ . 1]"
2 68 C 0.375 0.041 8 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 2 1 G H1 2 68 C N3 . . 1.890 1.927 1.922 1.931 0.041 8 0 "[ . 1]" 10
2 2 1 G N1 2 68 C N3 . . 3.000 2.927 2.915 2.931 . 0 0 "[ . 1]" 10
3 2 1 G H21 2 68 C O2 . . 1.890 1.822 1.818 1.834 . 0 0 "[ . 1]" 10
4 2 1 G N2 2 68 C O2 . . 3.000 2.833 2.829 2.845 . 0 0 "[ . 1]" 10
5 2 1 G O6 2 68 C H41 . . 1.890 1.880 1.867 1.892 0.002 3 0 "[ . 1]" 10
6 2 1 G O6 2 68 C N4 . . 3.000 2.889 2.879 2.904 . 0 0 "[ . 1]" 10
7 2 2 G H1 2 67 C N3 . . 1.890 1.912 1.907 1.917 0.027 4 0 "[ . 1]" 10
8 2 2 G N1 2 67 C N3 . . 3.000 2.915 2.909 2.923 . 0 0 "[ . 1]" 10
9 2 2 G H21 2 67 C O2 . . 1.890 1.821 1.809 1.837 . 0 0 "[ . 1]" 10
10 2 2 G N2 2 67 C O2 . . 3.000 2.836 2.822 2.853 . 0 0 "[ . 1]" 10
11 2 2 G O6 2 67 C H41 . . 1.890 1.858 1.845 1.866 . 0 0 "[ . 1]" 10
12 2 2 G O6 2 67 C N4 . . 3.000 2.871 2.859 2.880 . 0 0 "[ . 1]" 10
13 2 3 G H1 2 66 C N3 . . 1.890 1.912 1.904 1.920 0.030 9 0 "[ . 1]" 10
14 2 3 G N1 2 66 C N3 . . 3.000 2.914 2.903 2.925 . 0 0 "[ . 1]" 10
15 2 3 G H21 2 66 C O2 . . 1.890 1.826 1.801 1.843 . 0 0 "[ . 1]" 10
16 2 3 G N2 2 66 C O2 . . 3.000 2.841 2.817 2.859 . 0 0 "[ . 1]" 10
17 2 3 G O6 2 66 C H41 . . 1.890 1.871 1.856 1.890 . 0 0 "[ . 1]" 10
18 2 3 G O6 2 66 C N4 . . 3.000 2.882 2.866 2.901 . 0 0 "[ . 1]" 10
19 2 4 C N3 2 65 G H1 . . 1.890 1.915 1.907 1.926 0.036 3 0 "[ . 1]" 10
20 2 4 C N3 2 65 G N1 . . 3.000 2.909 2.901 2.930 . 0 0 "[ . 1]" 10
21 2 4 C O2 2 65 G H21 . . 1.890 1.819 1.805 1.832 . 0 0 "[ . 1]" 10
22 2 4 C O2 2 65 G N2 . . 3.000 2.822 2.811 2.833 . 0 0 "[ . 1]" 10
23 2 4 C H41 2 65 G O6 . . 1.890 1.880 1.863 1.897 0.007 2 0 "[ . 1]" 10
24 2 4 C N4 2 65 G O6 . . 3.000 2.889 2.868 2.909 . 0 0 "[ . 1]" 10
25 2 7 G H1 2 62 C N3 . . 1.890 1.912 1.896 1.926 0.036 5 0 "[ . 1]" 10
26 2 7 G N1 2 62 C N3 . . 3.000 2.895 2.882 2.902 . 0 0 "[ . 1]" 10
27 2 7 G H21 2 62 C O2 . . 1.890 1.848 1.808 1.871 . 0 0 "[ . 1]" 10
28 2 7 G N2 2 62 C O2 . . 3.000 2.849 2.810 2.880 . 0 0 "[ . 1]" 10
29 2 7 G O6 2 62 C H41 . . 1.890 1.872 1.804 1.903 0.013 7 0 "[ . 1]" 10
30 2 7 G O6 2 62 C N4 . . 3.000 2.877 2.814 2.911 . 0 0 "[ . 1]" 10
31 2 9 G H1 2 60 C N3 . . 1.890 1.902 1.894 1.909 0.019 1 0 "[ . 1]" 10
32 2 9 G N1 2 60 C N3 . . 3.000 2.899 2.887 2.907 . 0 0 "[ . 1]" 10
33 2 9 G H21 2 60 C O2 . . 1.890 1.866 1.857 1.878 . 0 0 "[ . 1]" 10
34 2 9 G N2 2 60 C O2 . . 3.000 2.880 2.871 2.893 . 0 0 "[ . 1]" 10
35 2 9 G O6 2 60 C H41 . . 1.890 1.855 1.841 1.870 . 0 0 "[ . 1]" 10
36 2 9 G O6 2 60 C N4 . . 3.000 2.867 2.854 2.880 . 0 0 "[ . 1]" 10
37 2 10 U O2 2 59 G H1 . . 1.890 1.815 1.800 1.839 . 0 0 "[ . 1]" 10
38 2 10 U O2 2 59 G N1 . . 3.000 2.817 2.803 2.843 . 0 0 "[ . 1]" 10
39 2 10 U H3 2 59 G O6 . . 1.890 1.855 1.829 1.887 . 0 0 "[ . 1]" 10
40 2 10 U N3 2 59 G O6 . . 3.000 2.854 2.827 2.883 . 0 0 "[ . 1]" 10
41 2 11 C N3 2 58 G H1 . . 1.890 1.900 1.892 1.906 0.016 3 0 "[ . 1]" 10
42 2 11 C N3 2 58 G N1 . . 3.000 2.893 2.888 2.903 . 0 0 "[ . 1]" 10
43 2 11 C O2 2 58 G H21 . . 1.890 1.839 1.820 1.866 . 0 0 "[ . 1]" 10
44 2 11 C O2 2 58 G N2 . . 3.000 2.846 2.825 2.878 . 0 0 "[ . 1]" 10
45 2 11 C H41 2 58 G O6 . . 1.890 1.854 1.802 1.881 . 0 0 "[ . 1]" 10
46 2 11 C N4 2 58 G O6 . . 3.000 2.862 2.814 2.888 . 0 0 "[ . 1]" 10
47 2 12 U O2 2 57 G H1 . . 1.890 1.808 1.798 1.833 . 0 0 "[ . 1]" 10
48 2 12 U O2 2 57 G N1 . . 3.000 2.811 2.801 2.837 . 0 0 "[ . 1]" 10
49 2 12 U H3 2 57 G O6 . . 1.890 1.882 1.835 1.913 0.023 9 0 "[ . 1]" 10
50 2 12 U N3 2 57 G O6 . . 3.000 2.884 2.840 2.916 . 0 0 "[ . 1]" 10
51 2 13 C N3 2 56 G H1 . . 1.890 1.913 1.898 1.919 0.029 6 0 "[ . 1]" 10
52 2 13 C N3 2 56 G N1 . . 3.000 2.915 2.898 2.926 . 0 0 "[ . 1]" 10
53 2 13 C O2 2 56 G H21 . . 1.890 1.824 1.803 1.862 . 0 0 "[ . 1]" 10
54 2 13 C O2 2 56 G N2 . . 3.000 2.838 2.817 2.880 . 0 0 "[ . 1]" 10
55 2 13 C H41 2 56 G O6 . . 1.890 1.842 1.826 1.855 . 0 0 "[ . 1]" 10
56 2 13 C N4 2 56 G O6 . . 3.000 2.855 2.834 2.868 . 0 0 "[ . 1]" 10
57 2 14 C N3 2 55 G H1 . . 1.890 1.923 1.916 1.934 0.044 8 0 "[ . 1]" 10
58 2 14 C N3 2 55 G N1 . . 3.000 2.924 2.915 2.932 . 0 0 "[ . 1]" 10
59 2 14 C O2 2 55 G H21 . . 1.890 1.830 1.806 1.856 . 0 0 "[ . 1]" 10
60 2 14 C O2 2 55 G N2 . . 3.000 2.842 2.814 2.867 . 0 0 "[ . 1]" 10
61 2 14 C H41 2 55 G O6 . . 1.890 1.864 1.820 1.890 . 0 0 "[ . 1]" 10
62 2 14 C N4 2 55 G O6 . . 3.000 2.868 2.829 2.900 . 0 0 "[ . 1]" 10
63 2 20 G H1 2 52 U O2 . . 1.890 1.820 1.777 1.906 0.016 8 0 "[ . 1]" 10
64 2 20 G N1 2 52 U O2 . . 3.000 2.816 2.780 2.903 . 0 0 "[ . 1]" 10
65 2 20 G O6 2 52 U H3 . . 1.890 1.903 1.824 1.970 0.080 2 0 "[ . 1]" 10
66 2 20 G O6 2 52 U N3 . . 3.000 2.892 2.824 2.957 . 0 0 "[ . 1]" 10
67 2 21 U H3 2 51 A N1 . . 1.890 1.917 1.892 1.942 0.052 9 0 "[ . 1]" 10
68 2 21 U N3 2 51 A N1 . . 3.000 2.923 2.897 2.950 . 0 0 "[ . 1]" 10
69 2 21 U O4 2 51 A H61 . . 1.890 1.895 1.867 1.913 0.023 3 0 "[ . 1]" 10
70 2 21 U O4 2 51 A N6 . . 3.000 2.905 2.878 2.923 . 0 0 "[ . 1]" 10
71 2 22 G H1 2 50 C N3 . . 1.890 1.917 1.907 1.922 0.032 5 0 "[ . 1]" 10
72 2 22 G N1 2 50 C N3 . . 3.000 2.923 2.908 2.928 . 0 0 "[ . 1]" 10
73 2 22 G H21 2 50 C O2 . . 1.890 1.831 1.815 1.856 . 0 0 "[ . 1]" 10
74 2 22 G N2 2 50 C O2 . . 3.000 2.846 2.829 2.869 . 0 0 "[ . 1]" 10
75 2 22 G O6 2 50 C H41 . . 1.890 1.882 1.865 1.896 0.006 7 0 "[ . 1]" 10
76 2 22 G O6 2 50 C N4 . . 3.000 2.894 2.878 2.910 . 0 0 "[ . 1]" 10
77 2 23 A N1 2 49 U H3 . . 1.890 1.851 1.839 1.890 0.000 2 0 "[ . 1]" 10
78 2 23 A N1 2 49 U N3 . . 3.000 2.854 2.842 2.899 . 0 0 "[ . 1]" 10
79 2 23 A H61 2 49 U O4 . . 1.890 1.912 1.893 1.938 0.048 3 0 "[ . 1]" 10
80 2 23 A N6 2 49 U O4 . . 3.000 2.922 2.900 2.935 . 0 0 "[ . 1]" 10
81 2 24 U O4 2 48 U H3 . . 1.890 1.879 1.869 1.892 0.002 8 0 "[ . 1]" 10
82 2 24 U O4 2 48 U N3 . . 3.000 2.867 2.853 2.877 . 0 0 "[ . 1]" 10
83 2 24 U H3 2 48 U O2 . . 1.890 1.911 1.898 1.920 0.030 9 0 "[ . 1]" 10
84 2 24 U N3 2 48 U O2 . . 3.000 2.905 2.892 2.917 . 0 0 "[ . 1]" 10
85 2 25 U O2 2 47 U H3 . . 1.890 1.922 1.910 1.952 0.062 4 0 "[ . 1]" 10
86 2 25 U O2 2 47 U N3 . . 3.000 2.921 2.908 2.934 . 0 0 "[ . 1]" 10
87 2 25 U H3 2 47 U O4 . . 1.890 1.877 1.841 1.894 0.004 8 0 "[ . 1]" 10
88 2 25 U N3 2 47 U O4 . . 3.000 2.872 2.839 2.887 . 0 0 "[ . 1]" 10
89 2 26 G H1 2 46 C N3 . . 1.890 1.897 1.890 1.920 0.030 4 0 "[ . 1]" 10
90 2 26 G N1 2 46 C N3 . . 3.000 2.880 2.872 2.894 . 0 0 "[ . 1]" 10
91 2 26 G H21 2 46 C O2 . . 1.890 1.837 1.824 1.880 . 0 0 "[ . 1]" 10
92 2 26 G N2 2 46 C O2 . . 3.000 2.839 2.829 2.879 . 0 0 "[ . 1]" 10
93 2 26 G O6 2 46 C H41 . . 1.890 1.793 1.787 1.796 . 0 0 "[ . 1]" 10
94 2 26 G O6 2 46 C N4 . . 3.000 2.798 2.779 2.803 . 0 0 "[ . 1]" 10
95 2 27 A N1 2 45 U H3 . . 1.890 1.863 1.850 1.881 . 0 0 "[ . 1]" 10
96 2 27 A N1 2 45 U N3 . . 3.000 2.868 2.854 2.884 . 0 0 "[ . 1]" 10
97 2 27 A H61 2 45 U O4 . . 1.890 1.927 1.906 1.939 0.049 7 0 "[ . 1]" 10
98 2 27 A N6 2 45 U O4 . . 3.000 2.935 2.915 2.947 . 0 0 "[ . 1]" 10
99 2 28 C N3 2 44 G H1 . . 1.890 1.916 1.911 1.921 0.031 6 0 "[ . 1]" 10
100 2 28 C N3 2 44 G N1 . . 3.000 2.898 2.892 2.909 . 0 0 "[ . 1]" 10
101 2 28 C O2 2 44 G H21 . . 1.890 1.827 1.813 1.838 . 0 0 "[ . 1]" 10
102 2 28 C O2 2 44 G N2 . . 3.000 2.834 2.824 2.843 . 0 0 "[ . 1]" 10
103 2 28 C H41 2 44 G O6 . . 1.890 1.863 1.844 1.879 . 0 0 "[ . 1]" 10
104 2 28 C N4 2 44 G O6 . . 3.000 2.868 2.852 2.882 . 0 0 "[ . 1]" 10
105 2 29 U O2 2 43 G H1 . . 1.890 1.750 1.745 1.756 . 0 0 "[ . 1]" 10
106 2 29 U O2 2 43 G N1 . . 3.000 2.718 2.699 2.750 . 0 0 "[ . 1]" 10
107 2 29 U H3 2 43 G O6 . . 1.890 1.986 1.909 2.035 0.145 1 0 "[ . 1]" 10
108 2 29 U N3 2 43 G O6 . . 3.000 2.979 2.906 3.024 0.024 3 0 "[ . 1]" 10
109 2 31 C N3 2 42 G H1 . . 1.890 1.906 1.896 1.920 0.030 2 0 "[ . 1]" 10
110 2 31 C N3 2 42 G N1 . . 3.000 2.910 2.899 2.922 . 0 0 "[ . 1]" 10
111 2 31 C O2 2 42 G H21 . . 1.890 1.796 1.789 1.809 . 0 0 "[ . 1]" 10
112 2 31 C O2 2 42 G N2 . . 3.000 2.811 2.802 2.822 . 0 0 "[ . 1]" 10
113 2 31 C H41 2 42 G O6 . . 1.890 1.893 1.877 1.904 0.014 7 0 "[ . 1]" 10
114 2 31 C N4 2 42 G O6 . . 3.000 2.904 2.887 2.916 . 0 0 "[ . 1]" 10
115 2 32 C N3 2 41 G H1 . . 1.890 1.912 1.906 1.919 0.029 7 0 "[ . 1]" 10
116 2 32 C N3 2 41 G N1 . . 3.000 2.911 2.906 2.916 . 0 0 "[ . 1]" 10
117 2 32 C O2 2 41 G H21 . . 1.890 1.802 1.797 1.807 . 0 0 "[ . 1]" 10
118 2 32 C O2 2 41 G N2 . . 3.000 2.813 2.805 2.820 . 0 0 "[ . 1]" 10
119 2 32 C H41 2 41 G O6 . . 1.890 1.865 1.852 1.871 . 0 0 "[ . 1]" 10
120 2 32 C N4 2 41 G O6 . . 3.000 2.876 2.862 2.882 . 0 0 "[ . 1]" 10
121 2 33 C N3 2 40 G H1 . . 1.890 1.904 1.898 1.914 0.024 8 0 "[ . 1]" 10
122 2 33 C N3 2 40 G N1 . . 3.000 2.905 2.901 2.912 . 0 0 "[ . 1]" 10
123 2 33 C O2 2 40 G H21 . . 1.890 1.800 1.790 1.809 . 0 0 "[ . 1]" 10
124 2 33 C O2 2 40 G N2 . . 3.000 2.811 2.805 2.821 . 0 0 "[ . 1]" 10
125 2 33 C H41 2 40 G O6 . . 1.890 1.877 1.861 1.897 0.007 7 0 "[ . 1]" 10
126 2 33 C N4 2 40 G O6 . . 3.000 2.889 2.873 2.912 . 0 0 "[ . 1]" 10
127 2 34 G H1 2 39 C N3 . . 1.890 1.884 1.869 1.898 0.008 7 0 "[ . 1]" 10
128 2 34 G N1 2 39 C N3 . . 3.000 2.883 2.871 2.896 . 0 0 "[ . 1]" 10
129 2 34 G H21 2 39 C O2 . . 1.890 1.834 1.802 1.861 . 0 0 "[ . 1]" 10
130 2 34 G N2 2 39 C O2 . . 3.000 2.848 2.817 2.877 . 0 0 "[ . 1]" 10
131 2 34 G O6 2 39 C H41 . . 1.890 1.860 1.819 1.881 . 0 0 "[ . 1]" 10
132 2 34 G O6 2 39 C N4 . . 3.000 2.872 2.829 2.894 . 0 0 "[ . 1]" 10
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