NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
374244 |
1e95   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1e95
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 386
_Distance_constraint_stats_list.Viol_count 1731
_Distance_constraint_stats_list.Viol_total 3140.937
_Distance_constraint_stats_list.Viol_max 0.442
_Distance_constraint_stats_list.Viol_rms 0.0759
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0362
_Distance_constraint_stats_list.Viol_average_violations_only 0.1210
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 G 15.806 0.284 9 0 "[ . 1 .]"
1 2 C 19.005 0.356 6 0 "[ . 1 .]"
1 3 G 3.140 0.154 8 0 "[ . 1 .]"
1 4 G 5.870 0.238 14 0 "[ . 1 .]"
1 5 C 3.379 0.158 4 0 "[ . 1 .]"
1 6 C 9.575 0.367 14 0 "[ . 1 .]"
1 7 A 5.907 0.359 14 0 "[ . 1 .]"
1 8 G 4.758 0.233 2 0 "[ . 1 .]"
1 9 C 6.422 0.233 2 0 "[ . 1 .]"
1 10 U 11.307 0.375 1 0 "[ . 1 .]"
1 11 C 11.387 0.243 14 0 "[ . 1 .]"
1 12 C 12.354 0.398 8 0 "[ . 1 .]"
1 13 A 12.904 0.398 8 0 "[ . 1 .]"
1 14 G 4.833 0.170 2 0 "[ . 1 .]"
1 15 G 5.085 0.248 14 0 "[ . 1 .]"
1 16 C 17.421 0.335 12 0 "[ . 1 .]"
1 17 C 14.151 0.335 12 0 "[ . 1 .]"
1 18 G 7.452 0.205 8 0 "[ . 1 .]"
1 19 C 6.899 0.269 13 0 "[ . 1 .]"
1 20 C 6.896 0.441 15 0 "[ . 1 .]"
1 21 A 18.348 0.441 15 0 "[ . 1 .]"
1 22 A 21.299 0.372 3 0 "[ . 1 .]"
1 23 A 13.293 0.332 2 0 "[ . 1 .]"
1 25 A 6.904 0.402 10 0 "[ . 1 .]"
1 26 A 10.773 0.402 10 0 "[ . 1 .]"
1 27 U 5.346 0.158 14 0 "[ . 1 .]"
1 28 A 7.188 0.262 1 0 "[ . 1 .]"
1 29 U 19.725 0.442 8 0 "[ . 1 .]"
1 30 G 17.193 0.442 8 0 "[ . 1 .]"
1 31 G 4.675 0.189 15 0 "[ . 1 .]"
1 32 A 7.921 0.242 4 0 "[ . 1 .]"
1 33 G 5.547 0.171 9 0 "[ . 1 .]"
1 34 C 5.128 0.257 7 0 "[ . 1 .]"
1 35 A 11.273 0.329 13 0 "[ . 1 .]"
1 36 C 6.939 0.329 13 0 "[ . 1 .]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 G H1' 1 2 C H5 3.600 2.900 4.300 4.483 4.444 4.562 0.262 8 0 "[ . 1 .]" 1
2 1 1 G H1' 1 2 C H6 3.000 . 4.000 4.142 4.106 4.172 0.172 6 0 "[ . 1 .]" 1
3 1 1 G H8 1 2 C H5 3.900 3.100 4.700 3.689 3.601 3.827 . 0 0 "[ . 1 .]" 1
4 1 1 G H8 1 2 C H6 4.300 3.400 5.200 5.083 5.029 5.171 . 0 0 "[ . 1 .]" 1
5 1 1 G H2' 1 2 C H1' 3.900 . 6.000 5.372 5.295 5.426 . 0 0 "[ . 1 .]" 1
6 1 1 G H2' 1 2 C H5 3.200 2.600 3.800 2.384 2.360 2.408 0.240 8 0 "[ . 1 .]" 1
7 1 1 G H2' 1 2 C H6 2.400 . 3.000 2.130 2.103 2.185 . 0 0 "[ . 1 .]" 1
8 1 1 G H3' 1 2 C H5 3.100 2.500 3.700 3.928 3.915 3.943 0.243 7 0 "[ . 1 .]" 1
9 1 1 G H3' 1 2 C H6 3.000 . 4.000 4.021 4.011 4.038 0.038 7 0 "[ . 1 .]" 1
10 1 2 C H1' 1 3 G H8 3.700 3.000 4.400 4.488 4.471 4.514 0.114 8 0 "[ . 1 .]" 1
11 1 2 C H5 1 3 G H8 5.900 4.700 7.100 5.019 4.731 5.489 . 0 0 "[ . 1 .]" 1
12 1 2 C H6 1 3 G H8 4.300 3.400 5.200 4.436 4.226 4.749 . 0 0 "[ . 1 .]" 1
13 1 2 C H2' 1 3 G H1' 4.000 3.000 5.000 4.600 4.484 4.684 . 0 0 "[ . 1 .]" 1
14 1 2 C H2' 1 3 G H8 2.300 . 2.800 2.088 2.032 2.126 . 0 0 "[ . 1 .]" 1
15 1 2 C H3' 1 3 G H8 3.900 . 6.000 3.610 3.544 3.681 . 0 0 "[ . 1 .]" 1
16 1 3 G H1' 1 4 G H8 3.800 3.000 4.600 4.721 4.668 4.754 0.154 8 0 "[ . 1 .]" 1
17 1 3 G H8 1 4 G H8 5.000 4.000 6.000 4.982 4.656 5.458 . 0 0 "[ . 1 .]" 1
18 1 3 G H2' 1 4 G H8 2.200 . 2.600 2.139 2.088 2.218 . 0 0 "[ . 1 .]" 1
19 1 3 G H3' 1 4 G H8 4.000 3.000 5.000 3.771 3.588 3.930 . 0 0 "[ . 1 .]" 1
20 1 4 G H8 1 5 C H5 4.900 3.900 5.900 5.673 5.424 5.889 . 0 0 "[ . 1 .]" 1
21 1 4 G H2' 1 5 C H5 5.000 4.000 6.000 3.911 3.884 3.941 0.116 6 0 "[ . 1 .]" 1
22 1 4 G H2' 1 5 C H6 3.000 . 4.000 2.548 2.480 2.635 . 0 0 "[ . 1 .]" 1
23 1 4 G H3' 1 5 C H5 5.000 4.000 6.000 4.604 4.337 4.787 . 0 0 "[ . 1 .]" 1
24 1 4 G H3' 1 5 C H6 3.000 . 4.000 3.905 3.681 4.012 0.012 14 0 "[ . 1 .]" 1
25 1 5 C H1' 1 6 C H6 5.000 4.000 6.000 4.883 4.695 4.982 . 0 0 "[ . 1 .]" 1
26 1 5 C H1' 1 26 A H2 4.000 3.000 5.000 4.884 4.416 5.059 0.059 4 0 "[ . 1 .]" 1
27 1 5 C H5 1 6 C H5 5.000 4.000 6.000 4.662 4.205 4.985 . 0 0 "[ . 1 .]" 1
28 1 5 C H2' 1 6 C H6 3.900 . 6.000 2.395 2.341 2.493 . 0 0 "[ . 1 .]" 1
29 1 5 C H3' 1 6 C H6 3.200 2.600 3.800 3.922 3.880 3.958 0.158 4 0 "[ . 1 .]" 1
30 1 6 C H2' 1 29 U H5 3.100 2.500 3.700 3.849 3.784 3.962 0.262 6 0 "[ . 1 .]" 1
31 1 6 C H2' 1 29 U H6 4.000 3.000 5.000 4.866 4.190 5.166 0.166 5 0 "[ . 1 .]" 1
32 1 7 A H2 1 30 G H8 5.300 4.200 6.400 6.417 5.691 6.514 0.114 7 0 "[ . 1 .]" 1
33 1 8 G H1' 1 9 C H6 3.900 3.100 4.700 4.785 4.751 4.819 0.119 7 0 "[ . 1 .]" 1
34 1 8 G H1' 1 35 A H2 4.300 3.400 5.200 3.427 3.344 3.617 0.056 13 0 "[ . 1 .]" 1
35 1 8 G H1' 1 36 C H1' 5.000 4.000 6.000 6.068 6.027 6.094 0.094 15 0 "[ . 1 .]" 1
36 1 8 G H8 1 9 C H5 5.800 4.600 7.000 4.742 4.554 5.065 0.046 5 0 "[ . 1 .]" 1
37 1 8 G H2' 1 9 C H1' 5.000 4.000 6.000 4.939 4.800 5.034 . 0 0 "[ . 1 .]" 1
38 1 8 G H2' 1 9 C H5 4.000 3.000 5.000 3.331 3.097 3.426 . 0 0 "[ . 1 .]" 1
39 1 8 G H2' 1 9 C H6 2.400 . 2.900 2.132 2.112 2.174 . 0 0 "[ . 1 .]" 1
40 1 8 G H3' 1 9 C H5 5.000 4.000 6.000 3.856 3.767 3.928 0.233 2 0 "[ . 1 .]" 1
41 1 8 G H3' 1 9 C H6 4.000 3.000 5.000 3.512 3.378 3.685 . 0 0 "[ . 1 .]" 1
42 1 9 C H1' 1 10 U H5 5.000 4.000 6.000 5.356 5.262 5.415 . 0 0 "[ . 1 .]" 1
43 1 9 C H1' 1 10 U H6 5.000 4.000 6.000 4.895 4.832 4.960 . 0 0 "[ . 1 .]" 1
44 1 9 C H5 1 10 U H5 5.000 4.000 6.000 4.731 4.529 4.870 . 0 0 "[ . 1 .]" 1
45 1 9 C H6 1 10 U H5 4.400 3.500 5.300 4.512 4.355 4.614 . 0 0 "[ . 1 .]" 1
46 1 9 C H2' 1 10 U H1' 4.000 3.000 5.000 5.035 4.994 5.060 0.060 5 0 "[ . 1 .]" 1
47 1 9 C H2' 1 10 U H5 4.000 3.000 5.000 2.942 2.920 2.980 0.080 4 0 "[ . 1 .]" 1
48 1 9 C H2' 1 10 U H6 2.200 . 2.600 2.342 2.294 2.373 . 0 0 "[ . 1 .]" 1
49 1 9 C H3' 1 10 U H5 4.000 3.000 5.000 3.970 3.781 4.088 . 0 0 "[ . 1 .]" 1
50 1 9 C H3' 1 10 U H6 3.000 . 4.000 3.922 3.835 3.992 . 0 0 "[ . 1 .]" 1
51 1 10 U H1' 1 11 C H6 3.700 3.000 4.400 4.618 4.551 4.643 0.243 14 0 "[ . 1 .]" 1
52 1 10 U H5 1 11 C H5 3.900 3.100 4.700 3.738 3.304 4.355 . 0 0 "[ . 1 .]" 1
53 1 10 U H6 1 11 C H5 5.000 4.000 6.000 3.933 3.857 4.137 0.143 6 0 "[ . 1 .]" 1
54 1 10 U H2' 1 11 C H1' 4.000 3.000 5.000 4.237 4.020 4.596 . 0 0 "[ . 1 .]" 1
55 1 11 C H1' 1 12 C H5 4.000 3.000 5.000 5.158 5.098 5.231 0.231 6 0 "[ . 1 .]" 1
56 1 11 C H1' 1 12 C H6 3.800 3.000 4.600 4.581 4.501 4.650 0.050 1 0 "[ . 1 .]" 1
57 1 11 C H1' 1 32 A H2 3.300 2.600 4.000 4.090 3.986 4.144 0.144 1 0 "[ . 1 .]" 1
58 1 11 C H5 1 12 C H5 4.000 3.000 5.000 4.281 3.995 4.637 . 0 0 "[ . 1 .]" 1
59 1 11 C H2' 1 12 C H1' 4.000 3.000 5.000 5.032 4.948 5.081 0.081 11 0 "[ . 1 .]" 1
60 1 11 C H2' 1 12 C H5 4.000 3.000 5.000 2.833 2.792 2.873 0.208 9 0 "[ . 1 .]" 1
61 1 12 C H1' 1 13 A H1' 5.000 4.000 6.000 6.128 6.053 6.227 0.227 10 0 "[ . 1 .]" 1
62 1 12 C H1' 1 13 A H8 3.900 . 6.000 4.802 4.673 4.976 . 0 0 "[ . 1 .]" 1
63 1 12 C H2' 1 13 A H8 2.300 . 2.800 2.122 2.016 2.253 . 0 0 "[ . 1 .]" 1
64 1 12 C H3' 1 13 A H8 2.400 . 2.900 3.221 3.174 3.298 0.398 8 0 "[ . 1 .]" 1
65 1 13 A H1' 1 14 G H8 4.500 3.600 5.400 4.755 4.656 4.861 . 0 0 "[ . 1 .]" 1
66 1 13 A H2 1 14 G H1' 2.700 2.200 3.200 3.317 3.276 3.355 0.155 2 0 "[ . 1 .]" 1
67 1 13 A H2 1 14 G H2' 4.900 3.900 5.900 5.994 5.959 6.031 0.131 10 0 "[ . 1 .]" 1
68 1 13 A H2 1 28 A H2 5.000 4.000 6.000 4.388 3.963 5.235 0.037 6 0 "[ . 1 .]" 1
69 1 13 A H2 1 30 G H1' 3.700 3.000 4.400 4.587 4.528 4.632 0.232 2 0 "[ . 1 .]" 1
70 1 13 A H8 1 14 G H8 4.400 3.500 5.300 3.868 3.586 4.203 . 0 0 "[ . 1 .]" 1
71 1 13 A H2' 1 14 G H1' 4.400 3.500 5.300 3.959 3.799 4.134 . 0 0 "[ . 1 .]" 1
72 1 13 A H2' 1 14 G H8 2.500 . 3.000 2.290 2.235 2.337 . 0 0 "[ . 1 .]" 1
73 1 13 A H3' 1 14 G H8 2.600 2.100 3.100 2.817 2.590 3.121 0.021 7 0 "[ . 1 .]" 1
74 1 14 G H1' 1 15 G H8 4.400 3.500 5.300 5.105 4.879 5.305 0.005 9 0 "[ . 1 .]" 1
75 1 14 G H1' 1 28 A H2 3.100 2.500 3.700 3.564 3.292 3.782 0.082 4 0 "[ . 1 .]" 1
76 1 14 G H8 1 15 G H8 4.000 3.000 5.000 4.342 4.053 4.616 . 0 0 "[ . 1 .]" 1
77 1 14 G H2' 1 15 G H8 2.600 2.100 3.100 2.490 2.331 2.611 . 0 0 "[ . 1 .]" 1
78 1 14 G H2' 1 28 A H2 4.000 3.200 4.800 4.881 4.734 4.970 0.170 2 0 "[ . 1 .]" 1
79 1 14 G H3' 1 15 G H8 3.200 2.600 3.800 3.075 2.860 3.351 . 0 0 "[ . 1 .]" 1
80 1 15 G H1' 1 16 C H6 5.000 4.000 6.000 4.629 4.553 4.724 . 0 0 "[ . 1 .]" 1
81 1 15 G H8 1 16 C H5 6.200 5.000 7.400 5.446 5.210 5.588 . 0 0 "[ . 1 .]" 1
82 1 15 G H8 1 16 C H6 5.000 4.000 6.000 5.982 5.809 6.049 0.049 2 0 "[ . 1 .]" 1
83 1 15 G H2' 1 16 C H1' 4.000 3.000 5.000 5.011 4.948 5.061 0.061 4 0 "[ . 1 .]" 1
84 1 15 G H2' 1 16 C H5 4.000 3.000 5.000 2.979 2.943 3.039 0.057 3 0 "[ . 1 .]" 1
85 1 15 G H2' 1 16 C H6 2.300 . 2.800 2.363 2.322 2.393 . 0 0 "[ . 1 .]" 1
86 1 15 G H3' 1 16 C H5 3.600 2.900 4.300 4.125 4.031 4.260 . 0 0 "[ . 1 .]" 1
87 1 15 G H3' 1 16 C H6 3.100 2.500 3.700 3.909 3.876 3.948 0.248 14 0 "[ . 1 .]" 1
88 1 16 C H4' 1 27 U H1' 2.700 2.200 3.200 3.277 3.226 3.303 0.103 7 0 "[ . 1 .]" 1
89 1 16 C H1' 1 17 C H5 5.000 4.000 6.000 5.612 5.445 5.735 . 0 0 "[ . 1 .]" 1
90 1 16 C H1' 1 17 C H6 3.600 2.900 4.300 4.597 4.564 4.635 0.335 12 0 "[ . 1 .]" 1
91 1 16 C H1' 1 26 A H2 2.900 2.300 3.500 2.750 2.535 3.091 . 0 0 "[ . 1 .]" 1
92 1 16 C H1' 1 26 A H2' 4.000 3.000 5.000 5.033 4.738 5.146 0.146 4 0 "[ . 1 .]" 1
93 1 16 C H1' 1 27 U H4' 5.000 4.000 6.000 5.907 5.470 6.068 0.068 1 0 "[ . 1 .]" 1
94 1 16 C H1' 1 27 U H1' 2.700 2.200 3.200 3.087 2.630 3.264 0.064 8 0 "[ . 1 .]" 1
95 1 16 C H1' 1 27 U H2' 5.000 4.000 6.000 5.622 5.185 5.921 . 0 0 "[ . 1 .]" 1
96 1 16 C H5 1 17 C H5 4.200 3.400 5.000 4.526 3.954 4.884 . 0 0 "[ . 1 .]" 1
97 1 16 C H6 1 17 C H5 4.900 3.900 5.900 4.706 4.265 4.991 . 0 0 "[ . 1 .]" 1
98 1 16 C H2' 1 17 C H5 4.200 3.400 5.000 3.339 3.306 3.387 0.094 11 0 "[ . 1 .]" 1
99 1 16 C H2' 1 17 C H6 2.600 2.100 3.100 2.039 2.020 2.053 0.080 1 0 "[ . 1 .]" 1
100 1 16 C H3' 1 17 C H5 5.000 4.000 6.000 4.026 3.975 4.089 0.025 4 0 "[ . 1 .]" 1
101 1 16 C H3' 1 17 C H6 2.800 2.200 3.400 3.574 3.517 3.611 0.211 11 0 "[ . 1 .]" 1
102 1 17 C H4' 1 25 A H2 3.400 2.700 4.100 3.680 2.678 4.133 0.033 14 0 "[ . 1 .]" 1
103 1 17 C H4' 1 26 A H1' 3.000 2.400 3.600 2.539 2.436 2.711 . 0 0 "[ . 1 .]" 1
104 1 17 C H1' 1 18 G H8 3.500 2.800 4.200 4.342 4.303 4.405 0.205 8 0 "[ . 1 .]" 1
105 1 17 C H1' 1 25 A H2 2.400 . 2.900 2.745 2.544 2.939 0.039 15 0 "[ . 1 .]" 1
106 1 17 C H1' 1 26 A H1' 3.800 3.000 4.600 4.644 4.506 4.695 0.095 2 0 "[ . 1 .]" 1
107 1 17 C H1' 1 26 A H2 4.700 3.800 5.600 4.306 3.767 4.859 0.033 11 0 "[ . 1 .]" 1
108 1 17 C H2' 1 18 G H1' 5.000 4.000 6.000 4.506 4.379 4.607 . 0 0 "[ . 1 .]" 1
109 1 17 C H2' 1 18 G H8 2.300 . 2.800 1.890 1.851 1.933 . 0 0 "[ . 1 .]" 1
110 1 17 C H2' 1 25 A H2 4.500 3.600 5.400 4.835 3.920 5.379 . 0 0 "[ . 1 .]" 1
111 1 17 C H3' 1 18 G H8 2.800 2.200 3.400 3.537 3.501 3.565 0.165 9 0 "[ . 1 .]" 1
112 1 18 G H4' 1 23 A H2 3.900 . 6.000 3.742 3.193 4.158 . 0 0 "[ . 1 .]" 1
113 1 18 G H1' 1 19 C H5 5.000 4.000 6.000 5.791 5.697 5.989 . 0 0 "[ . 1 .]" 1
114 1 18 G H1' 1 19 C H6 4.500 3.600 5.400 5.321 5.266 5.407 0.007 8 0 "[ . 1 .]" 1
115 1 18 G H1' 1 21 A H2 4.200 3.400 5.000 4.140 3.704 4.631 . 0 0 "[ . 1 .]" 1
116 1 18 G H1' 1 22 A H2 3.000 2.400 3.600 2.695 2.489 3.296 . 0 0 "[ . 1 .]" 1
117 1 18 G H1' 1 23 A H2 4.000 3.000 5.000 5.085 5.002 5.180 0.180 13 0 "[ . 1 .]" 1
118 1 18 G H8 1 19 C H5 4.000 3.200 4.800 3.732 3.396 4.217 . 0 0 "[ . 1 .]" 1
119 1 18 G H8 1 19 C H6 4.400 3.500 5.300 4.870 4.505 5.265 . 0 0 "[ . 1 .]" 1
120 1 18 G H2' 1 19 C H5 4.000 3.000 5.000 3.668 3.489 3.805 . 0 0 "[ . 1 .]" 1
121 1 18 G H2' 1 19 C H6 2.500 . 3.000 2.534 2.476 2.586 . 0 0 "[ . 1 .]" 1
122 1 18 G H2' 1 21 A H2 3.200 2.600 3.800 3.865 3.817 3.910 0.110 9 0 "[ . 1 .]" 1
123 1 18 G H3' 1 19 C H5 4.000 3.000 5.000 3.770 3.639 3.907 . 0 0 "[ . 1 .]" 1
124 1 19 C Q5' 1 21 A H2 4.600 3.700 5.400 3.607 3.587 3.646 0.113 3 0 "[ . 1 .]" 1
125 1 19 C H4' 1 20 C Q5' 3.000 . 4.000 2.526 2.483 2.632 . 0 0 "[ . 1 .]" 1
126 1 19 C H4' 1 20 C H4' 4.000 3.000 5.000 4.750 4.240 4.856 . 0 0 "[ . 1 .]" 1
127 1 19 C H4' 1 20 C H6 4.100 3.300 4.900 3.662 3.522 3.843 . 0 0 "[ . 1 .]" 1
128 1 19 C H4' 1 21 A H1' 4.400 3.500 5.300 5.312 5.087 5.394 0.094 1 0 "[ . 1 .]" 1
129 1 19 C H4' 1 21 A H2 3.300 2.600 4.000 3.673 3.516 3.840 . 0 0 "[ . 1 .]" 1
130 1 19 C H1' 1 20 C Q5' 4.300 4.000 5.200 5.045 4.931 5.247 0.047 15 0 "[ . 1 .]" 1
131 1 19 C H1' 1 20 C H5 3.200 2.600 3.800 2.809 2.658 3.532 . 0 0 "[ . 1 .]" 1
132 1 19 C H1' 1 20 C H6 4.100 3.300 4.900 3.818 3.706 4.074 . 0 0 "[ . 1 .]" 1
133 1 19 C H1' 1 21 A H2 3.600 2.900 4.300 4.330 4.051 4.438 0.138 15 0 "[ . 1 .]" 1
134 1 19 C H6 1 21 A H2 5.400 4.300 6.500 5.301 5.113 5.413 . 0 0 "[ . 1 .]" 1
135 1 19 C H2' 1 21 A H2 5.200 4.200 6.200 6.169 5.944 6.229 0.029 15 0 "[ . 1 .]" 1
136 1 19 C H3' 1 20 C H6 4.000 3.000 5.000 4.763 4.711 4.865 . 0 0 "[ . 1 .]" 1
137 1 20 C Q5' 1 21 A H1' 5.000 4.000 6.000 4.035 3.957 4.163 0.043 14 0 "[ . 1 .]" 1
138 1 20 C Q5' 1 21 A H2 5.000 4.000 6.000 4.760 4.564 5.243 . 0 0 "[ . 1 .]" 1
139 1 20 C Q5' 1 21 A H8 5.000 4.000 6.000 5.823 5.351 6.014 0.014 14 0 "[ . 1 .]" 1
140 1 20 C H4' 1 21 A H1' 5.000 4.000 6.000 4.011 3.875 4.151 0.125 15 0 "[ . 1 .]" 1
141 1 20 C H4' 1 21 A H2 5.000 4.000 6.000 5.908 5.487 6.050 0.050 10 0 "[ . 1 .]" 1
142 1 20 C H4' 1 21 A H8 4.700 3.800 5.600 4.566 3.765 4.915 0.035 15 0 "[ . 1 .]" 1
143 1 20 C H1' 1 21 A Q5' 4.100 3.300 4.900 4.515 4.260 5.341 0.441 15 0 "[ . 1 .]" 1
144 1 20 C H1' 1 21 A H8 5.900 4.700 7.100 5.080 4.674 6.010 0.026 9 0 "[ . 1 .]" 1
145 1 21 A H1' 1 22 A H2 4.000 3.000 5.000 5.127 4.915 5.191 0.191 13 0 "[ . 1 .]" 1
146 1 21 A H1' 1 22 A H8 3.800 3.000 4.600 4.391 3.893 4.842 0.242 11 0 "[ . 1 .]" 1
147 1 21 A H2 1 22 A H1' 5.300 4.200 6.400 6.652 6.529 6.772 0.372 3 0 "[ . 1 .]" 1
148 1 21 A H2 1 22 A H2 5.000 4.000 6.000 3.969 3.800 4.450 0.200 9 0 "[ . 1 .]" 1
149 1 21 A H8 1 22 A H8 4.100 3.300 4.900 4.965 4.464 5.087 0.187 2 0 "[ . 1 .]" 1
150 1 21 A H2' 1 22 A H8 3.500 2.800 4.200 3.132 2.770 3.677 0.030 6 0 "[ . 1 .]" 1
151 1 22 A H1' 1 23 A H8 3.500 3.000 4.000 4.123 4.054 4.176 0.176 3 0 "[ . 1 .]" 1
152 1 22 A H2 1 23 A H2 4.500 3.600 5.400 4.891 4.226 5.432 0.032 2 0 "[ . 1 .]" 1
153 1 22 A H8 1 23 A H8 4.000 3.000 5.000 5.029 4.834 5.127 0.127 13 0 "[ . 1 .]" 1
154 1 22 A H2' 1 23 A H8 3.200 2.600 3.800 2.508 2.468 2.551 0.132 2 0 "[ . 1 .]" 1
155 1 22 A H3' 1 23 A H8 3.300 2.600 4.000 4.277 4.230 4.332 0.332 2 0 "[ . 1 .]" 1
156 1 23 A H2 1 25 A H1' 3.200 2.600 3.800 3.883 3.826 3.986 0.186 13 0 "[ . 1 .]" 1
157 1 23 A H2 1 25 A H2 4.700 3.800 5.600 3.742 3.670 3.792 0.130 3 0 "[ . 1 .]" 1
158 1 23 A H1' 1 25 A H8 4.000 3.000 5.000 4.292 2.967 5.020 0.033 8 0 "[ . 1 .]" 1
159 1 23 A H2' 1 23 A H8 2.400 . 3.000 2.750 2.534 3.071 0.071 10 0 "[ . 1 .]" 1
160 1 25 A H1' 1 26 A H8 3.700 3.000 4.400 4.582 4.506 4.802 0.402 10 0 "[ . 1 .]" 1
161 1 25 A H2 1 26 A H1' 3.700 3.000 4.400 3.929 3.070 4.513 0.113 13 0 "[ . 1 .]" 1
162 1 25 A H2 1 26 A H2 4.800 3.800 5.800 4.831 4.258 5.589 . 0 0 "[ . 1 .]" 1
163 1 25 A H2' 1 26 A H8 2.800 2.200 3.400 2.351 2.127 2.438 0.073 10 0 "[ . 1 .]" 1
164 1 25 A H3' 1 26 A H8 3.500 2.800 4.200 3.996 2.667 4.382 0.182 5 0 "[ . 1 .]" 1
165 1 26 A H1' 1 27 U H6 4.800 3.800 5.800 5.744 5.391 5.808 0.008 15 0 "[ . 1 .]" 1
166 1 26 A H2 1 27 U H1' 4.100 3.300 4.900 4.727 4.460 4.937 0.037 13 0 "[ . 1 .]" 1
167 1 26 A H8 1 27 U H5 4.000 3.000 5.000 5.006 4.615 5.072 0.072 14 0 "[ . 1 .]" 1
168 1 26 A H8 1 27 U H6 5.300 4.200 6.400 5.895 5.652 6.011 . 0 0 "[ . 1 .]" 1
169 1 26 A H2' 1 27 U H1' 4.400 3.500 5.300 4.192 3.779 4.463 . 0 0 "[ . 1 .]" 1
170 1 26 A H2' 1 27 U H5 5.000 4.000 6.000 3.873 3.842 3.898 0.158 14 0 "[ . 1 .]" 1
171 1 26 A H2' 1 27 U H6 2.500 . 3.000 2.995 2.690 3.049 0.049 1 0 "[ . 1 .]" 1
172 1 26 A H3' 1 27 U H5 4.000 3.000 5.000 3.846 3.273 4.136 . 0 0 "[ . 1 .]" 1
173 1 26 A H3' 1 27 U H6 3.500 2.800 4.200 3.538 3.142 3.738 . 0 0 "[ . 1 .]" 1
174 1 27 U H4' 1 28 A H8 5.200 4.200 6.200 4.335 4.084 4.693 0.116 15 0 "[ . 1 .]" 1
175 1 27 U H6 1 28 A H8 5.700 4.600 6.800 6.182 5.702 6.584 . 0 0 "[ . 1 .]" 1
176 1 27 U H2' 1 28 A H1' 4.800 3.800 5.800 5.531 5.297 5.816 0.016 14 0 "[ . 1 .]" 1
177 1 27 U H2' 1 28 A H8 3.500 2.800 4.200 3.530 3.010 4.094 . 0 0 "[ . 1 .]" 1
178 1 27 U H3' 1 28 A H8 3.400 2.700 4.100 3.960 3.489 4.225 0.125 15 0 "[ . 1 .]" 1
179 1 28 A H1' 1 29 U Q5' 4.900 3.900 5.900 5.057 4.794 5.444 . 0 0 "[ . 1 .]" 1
180 1 28 A H1' 1 29 U H4' 4.600 3.700 5.500 4.330 3.818 5.294 . 0 0 "[ . 1 .]" 1
181 1 28 A H4' 1 29 U H4' 4.000 3.000 5.000 3.340 2.912 3.821 0.088 12 0 "[ . 1 .]" 1
182 1 28 A H4' 1 29 U H5'' 4.000 3.000 5.000 4.613 2.924 5.050 0.076 15 0 "[ . 1 .]" 1
183 1 28 A H1' 1 29 U H1' 2.900 2.300 3.500 2.642 2.397 3.170 . 0 0 "[ . 1 .]" 1
184 1 28 A H1' 1 29 U H5 4.600 3.700 5.500 5.388 4.548 5.647 0.147 6 0 "[ . 1 .]" 1
185 1 28 A H1' 1 29 U H6 3.400 2.700 4.100 3.986 3.719 4.139 0.039 11 0 "[ . 1 .]" 1
186 1 28 A H1' 1 29 U H2' 4.800 3.800 5.800 5.224 4.977 5.466 . 0 0 "[ . 1 .]" 1
187 1 28 A H2 1 29 U H1' 4.100 3.300 4.900 4.606 4.157 4.982 0.082 15 0 "[ . 1 .]" 1
188 1 29 U H1' 1 30 G H8 3.500 2.800 4.200 4.606 4.565 4.642 0.442 8 0 "[ . 1 .]" 1
189 1 29 U H2' 1 30 G H8 3.300 2.600 4.000 2.336 2.290 2.365 0.310 6 0 "[ . 1 .]" 1
190 1 30 G H1' 1 31 G H8 3.800 3.000 4.600 4.725 4.691 4.768 0.168 8 0 "[ . 1 .]" 1
191 1 30 G H8 1 31 G H8 5.000 4.000 6.000 4.987 4.757 5.231 . 0 0 "[ . 1 .]" 1
192 1 30 G H2' 1 31 G H1' 3.900 3.100 4.700 4.801 4.754 4.889 0.189 15 0 "[ . 1 .]" 1
193 1 30 G H2' 1 31 G H8 2.400 . 2.900 2.133 2.103 2.160 . 0 0 "[ . 1 .]" 1
194 1 30 G H3' 1 31 G H8 3.400 2.700 4.100 3.750 3.620 3.877 . 0 0 "[ . 1 .]" 1
195 1 31 G H1' 1 32 A H8 3.700 3.000 4.400 4.447 4.417 4.481 0.081 6 0 "[ . 1 .]" 1
196 1 31 G H8 1 32 A H8 4.700 3.800 5.600 5.623 5.359 5.663 0.063 14 0 "[ . 1 .]" 1
197 1 31 G H2' 1 32 A H8 2.200 . 2.600 2.303 2.184 2.350 . 0 0 "[ . 1 .]" 1
198 1 32 A H1' 1 33 G H8 4.300 3.400 5.200 4.871 4.799 4.950 . 0 0 "[ . 1 .]" 1
199 1 32 A H2 1 33 G H1' 3.100 2.500 3.700 3.828 3.769 3.871 0.171 9 0 "[ . 1 .]" 1
200 1 32 A H2 1 33 G H8 5.200 4.200 6.200 5.935 5.829 6.019 . 0 0 "[ . 1 .]" 1
201 1 32 A H8 1 33 G H8 4.700 3.800 5.600 4.298 3.950 4.511 . 0 0 "[ . 1 .]" 1
202 1 32 A H2' 1 33 G H1' 4.000 3.000 5.000 4.023 3.902 4.167 . 0 0 "[ . 1 .]" 1
203 1 32 A H2' 1 33 G H8 2.500 . 3.000 2.246 2.194 2.298 . 0 0 "[ . 1 .]" 1
204 1 32 A H3' 1 33 G H8 3.300 2.600 4.000 3.476 3.276 3.622 . 0 0 "[ . 1 .]" 1
205 1 33 G H1' 1 34 C H5 5.000 4.000 6.000 6.015 5.926 6.064 0.064 7 0 "[ . 1 .]" 1
206 1 33 G H1' 1 34 C H6 4.300 3.400 5.200 4.979 4.835 5.064 . 0 0 "[ . 1 .]" 1
207 1 33 G H8 1 34 C H5 4.700 3.800 5.600 4.783 4.526 4.883 . 0 0 "[ . 1 .]" 1
208 1 33 G H8 1 34 C H6 4.500 3.600 5.400 5.348 4.933 5.458 0.058 4 0 "[ . 1 .]" 1
209 1 33 G H2' 1 34 C H1' 4.000 3.000 5.000 4.860 4.536 5.013 0.013 9 0 "[ . 1 .]" 1
210 1 33 G H2' 1 34 C H5 4.000 3.000 5.000 3.665 3.591 3.849 . 0 0 "[ . 1 .]" 1
211 1 33 G H2' 1 34 C H6 2.200 . 2.600 2.407 2.261 2.482 . 0 0 "[ . 1 .]" 1
212 1 33 G H3' 1 34 C H5 4.000 3.000 5.000 4.605 4.537 4.647 . 0 0 "[ . 1 .]" 1
213 1 33 G H3' 1 34 C H6 3.900 . 6.000 4.016 3.795 4.102 . 0 0 "[ . 1 .]" 1
214 1 34 C H1' 1 35 A H8 3.400 2.700 4.100 4.299 4.250 4.357 0.257 7 0 "[ . 1 .]" 1
215 1 34 C H6 1 35 A H8 4.900 3.900 5.900 4.721 4.041 5.844 . 0 0 "[ . 1 .]" 1
216 1 34 C H2' 1 35 A H8 3.900 . 6.000 2.214 2.045 2.326 . 0 0 "[ . 1 .]" 1
217 1 34 C H3' 1 35 A H8 3.000 . 4.000 4.093 4.010 4.150 0.150 6 0 "[ . 1 .]" 1
218 1 35 A H1' 1 36 C H5 4.000 3.000 5.000 5.212 5.177 5.329 0.329 13 0 "[ . 1 .]" 1
219 1 35 A H1' 1 36 C H6 4.700 3.800 5.600 4.982 4.833 5.126 . 0 0 "[ . 1 .]" 1
220 1 35 A H2 1 36 C H1' 3.700 3.000 4.400 3.594 3.083 4.393 . 0 0 "[ . 1 .]" 1
221 1 35 A H8 1 36 C H5 4.200 3.400 5.000 3.470 3.287 3.786 0.113 11 0 "[ . 1 .]" 1
222 1 35 A H8 1 36 C H6 4.200 3.400 5.000 4.971 4.716 5.120 0.120 10 0 "[ . 1 .]" 1
223 1 35 A H2' 1 36 C H1' 4.000 3.000 5.000 4.599 4.235 4.874 . 0 0 "[ . 1 .]" 1
224 1 35 A H2' 1 36 C H5 3.600 2.900 4.300 3.532 3.170 3.891 . 0 0 "[ . 1 .]" 1
225 1 35 A H2' 1 36 C H6 2.400 . 2.900 2.367 2.191 2.609 . 0 0 "[ . 1 .]" 1
226 1 35 A H3' 1 36 C H5 4.000 3.000 5.000 3.211 2.946 4.012 0.054 2 0 "[ . 1 .]" 1
227 1 35 A H3' 1 36 C H6 2.800 2.200 3.400 2.907 2.572 3.408 0.008 10 0 "[ . 1 .]" 1
228 1 1 G Q5' 1 1 G H8 4.000 3.000 4.000 3.687 3.651 3.742 . 0 0 "[ . 1 .]" 1
229 1 1 G H4' 1 1 G H8 4.000 3.000 5.000 4.497 4.468 4.541 . 0 0 "[ . 1 .]" 1
230 1 1 G H1' 1 1 G H8 3.300 2.600 4.000 3.865 3.859 3.872 . 0 0 "[ . 1 .]" 1
231 1 1 G H2' 1 1 G H8 2.400 . 2.900 3.164 3.139 3.184 0.284 9 0 "[ . 1 .]" 1
232 1 1 G H3' 1 1 G H8 2.800 2.200 3.400 2.823 2.757 2.913 . 0 0 "[ . 1 .]" 1
233 1 2 C H4' 1 2 C H6 3.900 . 6.000 4.050 4.042 4.061 . 0 0 "[ . 1 .]" 1
234 1 2 C H1' 1 2 C H5 4.000 3.000 5.000 5.339 5.326 5.356 0.356 6 0 "[ . 1 .]" 1
235 1 2 C H1' 1 2 C H6 3.600 2.900 4.300 3.603 3.594 3.620 . 0 0 "[ . 1 .]" 1
236 1 2 C H2' 1 2 C H5 4.000 3.000 5.000 5.039 5.008 5.064 0.064 7 0 "[ . 1 .]" 1
237 1 2 C H2' 1 2 C H6 3.900 . 6.000 3.509 3.477 3.533 . 0 0 "[ . 1 .]" 1
238 1 2 C H3' 1 2 C H6 2.300 . 2.800 2.804 2.732 2.838 0.038 8 0 "[ . 1 .]" 1
239 1 3 G H1' 1 3 G H8 3.900 3.100 4.700 3.838 3.816 3.858 . 0 0 "[ . 1 .]" 1
240 1 3 G H2' 1 3 G H8 3.900 . 6.000 3.510 3.418 3.608 . 0 0 "[ . 1 .]" 1
241 1 3 G H3' 1 3 G H8 2.900 2.300 3.500 3.207 3.156 3.320 . 0 0 "[ . 1 .]" 1
242 1 4 G H1' 1 4 G H8 3.600 2.900 4.300 3.807 3.794 3.835 . 0 0 "[ . 1 .]" 1
243 1 4 G H2' 1 4 G H8 5.000 4.000 6.000 3.820 3.762 3.853 0.238 14 0 "[ . 1 .]" 1
244 1 4 G H3' 1 4 G H8 3.000 2.400 3.600 3.355 3.188 3.458 . 0 0 "[ . 1 .]" 1
245 1 5 C H2' 1 5 C H6 4.000 3.200 4.800 3.480 3.436 3.542 . 0 0 "[ . 1 .]" 1
246 1 5 C H3' 1 5 C H6 3.900 . 6.000 2.991 2.903 3.063 . 0 0 "[ . 1 .]" 1
247 1 6 C H1' 1 6 C H5 4.000 3.000 5.000 5.341 5.293 5.367 0.367 14 0 "[ . 1 .]" 1
248 1 6 C H1' 1 6 C H6 4.200 3.400 5.000 3.667 3.627 3.697 . 0 0 "[ . 1 .]" 1
249 1 6 C H2' 1 6 C H6 3.500 2.800 4.200 3.439 3.245 3.626 . 0 0 "[ . 1 .]" 1
250 1 6 C H3' 1 6 C H6 3.900 . 6.000 2.895 2.702 3.161 . 0 0 "[ . 1 .]" 1
251 1 7 A H1' 1 7 A Q5' 3.700 3.000 4.400 4.206 4.079 4.385 . 0 0 "[ . 1 .]" 1
252 1 7 A Q5' 1 7 A H8 4.000 3.000 5.000 3.096 2.934 4.040 0.066 12 0 "[ . 1 .]" 1
253 1 7 A H4' 1 7 A H8 4.300 3.400 5.200 4.896 4.684 5.057 . 0 0 "[ . 1 .]" 1
254 1 7 A H1' 1 7 A H2 5.700 4.600 6.800 4.597 4.571 4.644 0.029 14 0 "[ . 1 .]" 1
255 1 7 A H1' 1 7 A H8 3.300 2.600 4.000 3.897 3.881 3.911 . 0 0 "[ . 1 .]" 1
256 1 7 A H2' 1 7 A H8 2.000 . 2.400 2.235 2.078 2.373 . 0 0 "[ . 1 .]" 1
257 1 7 A H3' 1 7 A H8 2.900 2.300 3.500 3.792 3.706 3.859 0.359 14 0 "[ . 1 .]" 1
258 1 8 G H1' 1 8 G H8 3.600 2.900 4.300 3.611 3.542 3.661 . 0 0 "[ . 1 .]" 1
259 1 8 G H2' 1 8 G H8 4.000 3.000 5.000 4.221 4.152 4.308 . 0 0 "[ . 1 .]" 1
260 1 8 G H3' 1 8 G H8 3.900 . 6.000 3.939 3.781 4.158 . 0 0 "[ . 1 .]" 1
261 1 9 C H1' 1 9 C H5 5.000 4.000 6.000 5.394 5.375 5.413 . 0 0 "[ . 1 .]" 1
262 1 9 C H1' 1 9 C H6 3.700 3.000 4.400 3.665 3.648 3.680 . 0 0 "[ . 1 .]" 1
263 1 9 C H3' 1 9 C H5 5.000 4.000 6.000 4.967 4.890 5.047 . 0 0 "[ . 1 .]" 1
264 1 9 C H2' 1 9 C H6 3.200 2.600 3.800 3.507 3.464 3.551 . 0 0 "[ . 1 .]" 1
265 1 9 C H3' 1 9 C H6 2.300 . 2.800 2.900 2.862 2.935 0.135 1 0 "[ . 1 .]" 1
266 1 10 U Q5' 1 10 U H6 3.400 2.700 4.100 3.445 3.392 3.533 . 0 0 "[ . 1 .]" 1
267 1 10 U H4' 1 10 U H6 4.000 3.000 5.000 4.133 4.089 4.206 . 0 0 "[ . 1 .]" 1
268 1 10 U H1' 1 10 U H5 4.000 3.000 5.000 5.367 5.356 5.375 0.375 1 0 "[ . 1 .]" 1
269 1 10 U H1' 1 10 U H6 3.400 2.700 4.100 3.663 3.652 3.678 . 0 0 "[ . 1 .]" 1
270 1 10 U H3' 1 10 U H5 5.000 4.000 6.000 4.772 4.705 4.889 . 0 0 "[ . 1 .]" 1
271 1 10 U H3' 1 10 U H6 3.000 . 4.000 2.695 2.623 2.792 . 0 0 "[ . 1 .]" 1
272 1 11 C H1' 1 11 C H6 3.900 . 6.000 3.705 3.687 3.726 . 0 0 "[ . 1 .]" 1
273 1 12 C H1' 1 12 C H6 3.900 . 6.000 3.670 3.636 3.691 . 0 0 "[ . 1 .]" 1
274 1 12 C H3' 1 12 C H5 5.000 4.000 6.000 4.857 4.788 4.957 . 0 0 "[ . 1 .]" 1
275 1 12 C H2' 1 12 C H6 4.000 3.000 5.000 3.507 3.426 3.646 . 0 0 "[ . 1 .]" 1
276 1 12 C H3' 1 12 C H6 3.000 . 4.000 2.823 2.748 2.970 . 0 0 "[ . 1 .]" 1
277 1 13 A H1' 1 13 A H2 5.000 4.000 6.000 4.680 4.650 4.711 . 0 0 "[ . 1 .]" 1
278 1 13 A H1' 1 13 A H8 3.700 3.000 4.400 3.837 3.816 3.852 . 0 0 "[ . 1 .]" 1
279 1 13 A H2 1 13 A H2' 5.100 4.100 6.100 5.023 4.936 5.067 . 0 0 "[ . 1 .]" 1
280 1 13 A H2' 1 13 A H8 3.500 2.800 4.200 3.721 3.664 3.786 . 0 0 "[ . 1 .]" 1
281 1 13 A H3' 1 13 A H8 2.400 . 2.900 2.882 2.810 2.930 0.030 4 0 "[ . 1 .]" 1
282 1 14 G H1' 1 14 G H8 3.900 3.100 4.700 3.821 3.796 3.854 . 0 0 "[ . 1 .]" 1
283 1 14 G H2' 1 14 G H8 4.200 3.400 5.000 3.735 3.575 3.865 . 0 0 "[ . 1 .]" 1
284 1 14 G H3' 1 14 G H8 2.500 . 3.000 3.001 2.853 3.036 0.036 14 0 "[ . 1 .]" 1
285 1 15 G H1' 1 15 G H8 4.900 3.900 5.900 3.828 3.812 3.849 0.088 1 0 "[ . 1 .]" 1
286 1 15 G H2' 1 15 G H8 3.600 2.900 4.300 3.690 3.585 3.736 . 0 0 "[ . 1 .]" 1
287 1 15 G H3' 1 15 G H8 3.400 2.700 4.100 3.402 3.311 3.462 . 0 0 "[ . 1 .]" 1
288 1 16 C H1' 1 16 C H6 3.900 3.100 4.700 3.711 3.692 3.731 . 0 0 "[ . 1 .]" 1
289 1 16 C H3' 1 16 C H5 5.000 4.000 6.000 4.747 4.637 4.853 . 0 0 "[ . 1 .]" 1
290 1 16 C H2' 1 16 C H6 4.800 3.800 5.800 3.674 3.629 3.712 0.171 12 0 "[ . 1 .]" 1
291 1 17 C H1' 1 17 C H6 4.000 3.000 5.000 3.677 3.640 3.700 . 0 0 "[ . 1 .]" 1
292 1 17 C H3' 1 17 C H5 5.000 4.000 6.000 4.809 4.683 4.999 . 0 0 "[ . 1 .]" 1
293 1 17 C H2' 1 17 C H6 4.100 3.300 4.900 3.623 3.524 3.724 . 0 0 "[ . 1 .]" 1
294 1 17 C H3' 1 17 C H6 3.000 . 4.000 2.921 2.738 3.166 . 0 0 "[ . 1 .]" 1
295 1 18 G H4' 1 18 G H8 3.900 . 6.000 4.562 4.509 4.607 . 0 0 "[ . 1 .]" 1
296 1 18 G H1' 1 18 G H8 4.000 3.000 5.000 3.791 3.763 3.816 . 0 0 "[ . 1 .]" 1
297 1 18 G H2' 1 18 G H8 3.200 2.600 3.800 3.738 3.673 3.819 0.019 9 0 "[ . 1 .]" 1
298 1 18 G H3' 1 18 G H8 2.700 2.200 3.200 3.267 3.225 3.321 0.121 9 0 "[ . 1 .]" 1
299 1 19 C H1' 1 19 C Q5' 5.200 4.200 6.200 4.340 4.314 4.381 . 0 0 "[ . 1 .]" 1
300 1 19 C Q5' 1 19 C H6 3.700 3.000 4.400 3.691 3.616 3.785 . 0 0 "[ . 1 .]" 1
301 1 19 C H4' 1 19 C H6 4.200 3.400 5.000 4.543 4.485 4.587 . 0 0 "[ . 1 .]" 1
302 1 19 C H1' 1 19 C H6 3.500 2.800 4.200 3.773 3.757 3.780 . 0 0 "[ . 1 .]" 1
303 1 19 C H5 1 19 C H6 2.400 . 2.900 2.436 2.433 2.442 . 0 0 "[ . 1 .]" 1
304 1 19 C H2' 1 19 C H5 4.000 3.000 5.000 4.441 4.419 4.458 . 0 0 "[ . 1 .]" 1
305 1 19 C H3' 1 19 C H5 5.000 4.000 6.000 6.238 6.208 6.269 0.269 13 0 "[ . 1 .]" 1
306 1 19 C H2' 1 19 C H6 2.100 . 2.500 2.530 2.510 2.593 0.093 8 0 "[ . 1 .]" 1
307 1 19 C H3' 1 19 C H6 4.000 3.000 5.000 3.927 3.895 3.960 . 0 0 "[ . 1 .]" 1
308 1 20 C H5 1 20 C Q5' 5.000 4.000 6.000 5.177 5.116 5.329 . 0 0 "[ . 1 .]" 1
309 1 20 C Q5' 1 20 C H6 3.300 2.600 3.700 3.283 3.232 3.403 . 0 0 "[ . 1 .]" 1
310 1 20 C H1' 1 20 C H5 5.000 4.000 6.000 5.491 5.487 5.493 . 0 0 "[ . 1 .]" 1
311 1 20 C H1' 1 20 C H6 3.200 2.600 3.800 3.749 3.741 3.753 . 0 0 "[ . 1 .]" 1
312 1 20 C H2' 1 20 C H5 4.000 3.200 4.800 4.407 4.390 4.427 . 0 0 "[ . 1 .]" 1
313 1 20 C H2' 1 20 C H6 2.000 . 2.400 2.433 2.405 2.448 0.048 4 0 "[ . 1 .]" 1
314 1 20 C H3' 1 20 C H6 2.700 2.200 3.200 3.554 3.542 3.624 0.424 15 0 "[ . 1 .]" 1
315 1 20 C H4' 1 20 C H6 4.200 3.400 5.000 4.288 4.262 4.319 . 0 0 "[ . 1 .]" 1
316 1 21 A Q5' 1 21 A H8 4.200 3.400 4.300 3.427 3.300 4.234 0.100 4 0 "[ . 1 .]" 1
317 1 21 A H4' 1 21 A H8 4.000 3.000 5.000 4.807 4.754 4.884 . 0 0 "[ . 1 .]" 1
318 1 21 A H1' 1 21 A H2 5.400 4.300 6.500 4.515 4.477 4.547 . 0 0 "[ . 1 .]" 1
319 1 21 A H1' 1 21 A H8 3.100 2.500 3.700 3.876 3.861 3.883 0.183 10 0 "[ . 1 .]" 1
320 1 21 A H2' 1 21 A H8 2.400 . 2.900 2.488 2.382 2.591 . 0 0 "[ . 1 .]" 1
321 1 21 A H3' 1 21 A H8 2.400 . 2.900 2.674 2.553 2.818 . 0 0 "[ . 1 .]" 1
322 1 22 A Q5' 1 22 A H8 4.000 3.500 4.100 3.833 3.398 4.188 0.102 1 0 "[ . 1 .]" 1
323 1 22 A H4' 1 22 A H8 4.200 3.400 5.000 4.772 4.699 4.825 . 0 0 "[ . 1 .]" 1
324 1 22 A H1' 1 22 A H8 3.300 2.600 4.000 3.908 3.875 3.929 . 0 0 "[ . 1 .]" 1
325 1 22 A H2' 1 22 A H8 2.200 . 2.600 2.738 2.689 2.776 0.176 11 0 "[ . 1 .]" 1
326 1 23 A H1' 1 23 A Q5' 4.000 3.000 5.000 4.336 4.263 4.465 . 0 0 "[ . 1 .]" 1
327 1 23 A Q5' 1 23 A H8 4.000 3.000 5.000 3.732 2.913 4.038 0.087 11 0 "[ . 1 .]" 1
328 1 23 A H4' 1 23 A H8 4.000 3.000 5.000 4.711 4.369 4.849 . 0 0 "[ . 1 .]" 1
329 1 23 A H1' 1 23 A H8 4.000 3.000 5.000 3.900 3.770 3.934 . 0 0 "[ . 1 .]" 1
330 1 23 A H2' 1 23 A H8 3.000 . 4.000 2.894 2.539 3.866 . 0 0 "[ . 1 .]" 1
331 1 23 A H3' 1 23 A H8 2.800 2.200 3.400 3.437 2.962 3.565 0.165 15 0 "[ . 1 .]" 1
332 1 25 A H1' 1 25 A Q5' 4.000 4.000 5.000 4.331 4.156 4.470 . 0 0 "[ . 1 .]" 1
333 1 25 A H1' 1 25 A H8 4.000 3.000 5.000 3.779 3.631 3.860 . 0 0 "[ . 1 .]" 1
334 1 25 A H2' 1 25 A H8 4.000 3.000 5.000 3.838 3.536 4.281 . 0 0 "[ . 1 .]" 1
335 1 25 A H3' 1 25 A H8 3.000 . 4.000 3.426 3.026 3.954 . 0 0 "[ . 1 .]" 1
336 1 26 A H1' 1 26 A H2 4.000 3.000 5.000 4.811 4.758 4.896 . 0 0 "[ . 1 .]" 1
337 1 26 A H1' 1 26 A H8 4.200 3.400 5.000 3.744 3.696 3.774 . 0 0 "[ . 1 .]" 1
338 1 26 A H2' 1 26 A H8 3.500 2.800 4.200 3.982 3.904 4.128 . 0 0 "[ . 1 .]" 1
339 1 26 A H3' 1 26 A H8 2.600 2.100 3.100 3.207 3.008 3.339 0.239 9 0 "[ . 1 .]" 1
340 1 27 U Q5' 1 27 U H6 3.900 3.100 4.400 3.575 3.472 3.671 . 0 0 "[ . 1 .]" 1
341 1 27 U H4' 1 27 U H6 4.200 3.400 5.000 4.236 4.184 4.287 . 0 0 "[ . 1 .]" 1
342 1 27 U H1' 1 27 U H6 4.000 3.200 4.800 3.767 3.744 3.782 . 0 0 "[ . 1 .]" 1
343 1 27 U H3' 1 27 U H5 5.000 4.000 6.000 4.741 4.686 4.817 . 0 0 "[ . 1 .]" 1
344 1 27 U H2' 1 27 U H6 3.200 2.600 3.800 3.167 3.058 3.324 . 0 0 "[ . 1 .]" 1
345 1 27 U H3' 1 27 U H6 2.500 . 3.000 2.609 2.536 2.756 . 0 0 "[ . 1 .]" 1
346 1 28 A Q5' 1 28 A H8 4.000 4.000 5.000 3.814 3.738 3.917 0.262 1 0 "[ . 1 .]" 1
347 1 28 A H1' 1 28 A H2 4.000 3.000 5.000 4.534 4.468 4.591 . 0 0 "[ . 1 .]" 1
348 1 28 A H1' 1 28 A H8 3.300 2.600 4.000 3.923 3.904 3.946 . 0 0 "[ . 1 .]" 1
349 1 28 A H2' 1 28 A H8 2.600 2.100 3.100 2.607 2.353 2.750 . 0 0 "[ . 1 .]" 1
350 1 28 A H3' 1 28 A H8 3.400 2.700 4.100 4.156 4.124 4.176 0.076 3 0 "[ . 1 .]" 1
351 1 29 U Q5' 1 29 U H6 3.900 3.000 5.000 2.956 2.841 3.412 0.159 11 0 "[ . 1 .]" 1
352 1 29 U H4' 1 29 U H6 4.300 3.400 5.200 4.185 4.066 4.318 . 0 0 "[ . 1 .]" 1
353 1 29 U H1' 1 29 U H5 4.000 3.000 5.000 5.289 5.256 5.327 0.327 15 0 "[ . 1 .]" 1
354 1 29 U H1' 1 29 U H6 3.900 3.100 4.700 3.567 3.521 3.635 . 0 0 "[ . 1 .]" 1
355 1 29 U H2' 1 29 U H6 4.100 3.300 4.900 3.907 3.754 4.011 . 0 0 "[ . 1 .]" 1
356 1 29 U H3' 1 29 U H6 3.000 . 4.000 3.304 3.063 3.537 . 0 0 "[ . 1 .]" 1
357 1 30 G H1' 1 30 G H8 3.900 3.100 4.700 3.839 3.818 3.858 . 0 0 "[ . 1 .]" 1
358 1 30 G H3' 1 30 G H8 3.000 . 4.000 3.336 3.275 3.419 . 0 0 "[ . 1 .]" 1
359 1 31 G H1' 1 31 G H8 4.000 3.200 4.800 3.835 3.823 3.851 . 0 0 "[ . 1 .]" 1
360 1 31 G H2' 1 31 G H8 3.900 . 6.000 3.499 3.449 3.543 . 0 0 "[ . 1 .]" 1
361 1 31 G H3' 1 31 G H8 2.900 2.300 3.500 3.313 3.269 3.372 . 0 0 "[ . 1 .]" 1
362 1 32 A H1' 1 32 A H2 4.400 3.500 5.300 4.664 4.642 4.688 . 0 0 "[ . 1 .]" 1
363 1 32 A H1' 1 32 A H8 3.700 3.000 4.400 3.834 3.827 3.842 . 0 0 "[ . 1 .]" 1
364 1 32 A H2' 1 32 A H8 2.600 2.100 3.100 3.323 3.280 3.342 0.242 4 0 "[ . 1 .]" 1
365 1 32 A H3' 1 32 A H8 2.400 . 2.900 2.716 2.632 2.789 . 0 0 "[ . 1 .]" 1
366 1 33 G H1' 1 33 G H8 3.800 3.000 4.600 3.801 3.797 3.804 . 0 0 "[ . 1 .]" 1
367 1 33 G H2' 1 33 G H8 2.900 2.300 3.500 3.633 3.621 3.641 0.141 11 0 "[ . 1 .]" 1
368 1 33 G H3' 1 33 G H8 2.700 2.200 3.200 3.258 3.229 3.280 0.080 14 0 "[ . 1 .]" 1
369 1 34 C H1' 1 34 C H5 5.000 4.000 6.000 5.421 5.392 5.439 . 0 0 "[ . 1 .]" 1
370 1 34 C H1' 1 34 C H6 3.400 2.700 4.100 3.697 3.673 3.717 . 0 0 "[ . 1 .]" 1
371 1 34 C H2' 1 34 C H5 5.000 4.000 6.000 5.009 4.912 5.090 . 0 0 "[ . 1 .]" 1
372 1 34 C H3' 1 34 C H5 5.000 4.000 6.000 5.144 5.030 5.469 . 0 0 "[ . 1 .]" 1
373 1 34 C H2' 1 34 C H6 3.900 3.100 4.700 3.450 3.322 3.543 . 0 0 "[ . 1 .]" 1
374 1 34 C H3' 1 34 C H6 3.900 . 6.000 3.046 2.888 3.394 . 0 0 "[ . 1 .]" 1
375 1 35 A H1' 1 35 A Q5' 4.800 3.800 5.800 4.323 4.230 4.521 . 0 0 "[ . 1 .]" 1
376 1 35 A Q5' 1 35 A H8 3.200 2.600 3.800 3.084 2.626 3.909 0.109 13 0 "[ . 1 .]" 1
377 1 35 A H1' 1 35 A H2 5.100 4.100 6.100 4.933 4.746 5.130 . 0 0 "[ . 1 .]" 1
378 1 35 A H1' 1 35 A H8 3.700 3.000 4.400 3.616 3.438 3.755 . 0 0 "[ . 1 .]" 1
379 1 35 A H2' 1 35 A H8 3.000 . 4.000 4.110 3.818 4.316 0.316 14 0 "[ . 1 .]" 1
380 1 35 A H3' 1 35 A H8 3.900 . 6.000 3.803 3.160 4.381 . 0 0 "[ . 1 .]" 1
381 1 36 C H1' 1 36 C H6 3.400 2.700 4.100 3.703 3.623 3.739 . 0 0 "[ . 1 .]" 1
382 1 36 C H5 1 36 C H6 2.400 . 2.900 2.448 2.436 2.455 . 0 0 "[ . 1 .]" 1
383 1 36 C H2' 1 36 C H5 5.000 4.000 6.000 4.920 4.795 5.198 . 0 0 "[ . 1 .]" 1
384 1 36 C H3' 1 36 C H5 5.000 4.000 6.000 5.176 5.087 5.227 . 0 0 "[ . 1 .]" 1
385 1 36 C H2' 1 36 C H6 3.000 2.400 3.600 3.236 3.045 3.608 0.008 13 0 "[ . 1 .]" 1
386 1 36 C H3' 1 36 C H6 2.400 . 2.900 3.001 2.951 3.103 0.203 11 0 "[ . 1 .]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 7
_Distance_constraint_stats_list.Viol_count 26
_Distance_constraint_stats_list.Viol_total 36.300
_Distance_constraint_stats_list.Viol_max 0.198
_Distance_constraint_stats_list.Viol_rms 0.0485
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0230
_Distance_constraint_stats_list.Viol_average_violations_only 0.0931
_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 23 A 1.947 0.198 10 0 "[ . 1 .]"
1 24 C 2.420 0.198 10 0 "[ . 1 .]"
1 25 A 0.473 0.082 13 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 24 C H6 1 25 A H8 3.900 . 6.000 5.689 4.768 6.079 0.079 15 0 "[ . 1 .]" 2
2 1 23 A H2' 1 24 C H1' 3.900 . 6.000 5.607 4.867 6.198 0.198 10 0 "[ . 1 .]" 2
3 1 23 A H1' 1 24 C H6 3.900 . 6.000 5.583 3.967 6.189 0.189 3 0 "[ . 1 .]" 2
4 1 23 A H4' 1 24 C H6 3.900 . 6.000 5.298 3.982 6.026 0.026 6 0 "[ . 1 .]" 2
5 1 23 A H3' 1 24 C H6 3.900 . 6.000 4.927 4.217 5.897 . 0 0 "[ . 1 .]" 2
6 1 24 C H4' 1 25 A H8 3.900 . 6.000 4.805 3.452 6.082 0.082 13 0 "[ . 1 .]" 2
7 1 24 C H1' 1 25 A H8 3.900 . 6.000 3.640 2.562 5.766 . 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 45
_Distance_constraint_stats_list.Viol_count 89
_Distance_constraint_stats_list.Viol_total 103.383
_Distance_constraint_stats_list.Viol_max 0.168
_Distance_constraint_stats_list.Viol_rms 0.0311
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0102
_Distance_constraint_stats_list.Viol_average_violations_only 0.0774
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 4 G 1.402 0.157 8 0 "[ . 1 .]"
1 5 C 0.000 0.000 . 0 "[ . 1 .]"
1 6 C 2.745 0.156 14 0 "[ . 1 .]"
1 7 A 3.137 0.168 15 0 "[ . 1 .]"
1 8 G 0.000 0.000 . 0 "[ . 1 .]"
1 9 C 1.887 0.168 15 0 "[ . 1 .]"
1 15 G 0.015 0.015 7 0 "[ . 1 .]"
1 16 C 0.000 0.000 . 0 "[ . 1 .]"
1 20 C 0.000 0.000 . 0 "[ . 1 .]"
1 21 A 0.000 0.000 . 0 "[ . 1 .]"
1 22 A 0.018 0.018 3 0 "[ . 1 .]"
1 23 A 0.533 0.133 3 0 "[ . 1 .]"
1 24 C 0.515 0.133 3 0 "[ . 1 .]"
1 25 A 1.402 0.157 8 0 "[ . 1 .]"
1 26 A 0.000 0.000 . 0 "[ . 1 .]"
1 27 U 0.660 0.118 15 0 "[ . 1 .]"
1 28 A 0.453 0.095 15 0 "[ . 1 .]"
1 29 U 1.017 0.156 14 0 "[ . 1 .]"
1 35 A 0.000 0.000 . 0 "[ . 1 .]"
1 36 C 0.000 0.000 . 0 "[ . 1 .]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 4 G N2 1 25 A H2 7.000 6.000 97.000 5.943 5.843 6.496 0.157 8 0 "[ . 1 .]" 3
2 1 5 C H1' 1 25 A H2 6.000 5.000 96.000 7.152 6.544 8.539 . 0 0 "[ . 1 .]" 3
3 1 5 C H1' 1 29 U H5 6.000 5.000 96.000 10.408 9.839 10.726 . 0 0 "[ . 1 .]" 3
4 1 6 C H2' 1 7 A H8 6.000 5.000 96.000 5.606 4.847 6.658 0.153 4 0 "[ . 1 .]" 3
5 1 6 C H3' 1 7 A H8 6.000 5.000 96.000 5.000 4.857 5.596 0.143 7 0 "[ . 1 .]" 3
6 1 6 C H1' 1 27 U H1' 6.000 5.000 96.000 6.464 5.884 7.226 . 0 0 "[ . 1 .]" 3
7 1 6 C H1' 1 27 U H2' 6.000 5.000 96.000 5.061 4.882 5.813 0.118 15 0 "[ . 1 .]" 3
8 1 6 C H1' 1 28 A H1' 6.000 5.000 96.000 6.972 6.180 7.815 . 0 0 "[ . 1 .]" 3
9 1 6 C H1' 1 28 A H2' 6.000 5.000 96.000 5.394 4.957 5.940 0.043 7 0 "[ . 1 .]" 3
10 1 6 C H1' 1 28 A H3' 6.000 5.000 96.000 5.884 4.955 7.186 0.045 14 0 "[ . 1 .]" 3
11 1 6 C H1' 1 29 U H6 6.000 5.000 96.000 5.727 5.045 6.324 . 0 0 "[ . 1 .]" 3
12 1 6 C H1' 1 29 U H5 6.000 5.000 96.000 4.992 4.844 5.419 0.156 14 0 "[ . 1 .]" 3
13 1 7 A H4' 1 27 U H5 6.000 5.000 96.000 10.629 8.725 12.608 . 0 0 "[ . 1 .]" 3
14 1 7 A H2' 1 8 G H8 6.000 5.000 96.000 6.339 5.665 7.020 . 0 0 "[ . 1 .]" 3
15 1 7 A H3' 1 8 G H8 6.000 5.000 96.000 6.546 5.638 7.298 . 0 0 "[ . 1 .]" 3
16 1 7 A H2' 1 9 C H5 6.000 5.000 96.000 4.876 4.832 4.954 0.168 15 0 "[ . 1 .]" 3
17 1 7 A H3' 1 9 C H5 6.000 5.000 96.000 5.990 5.029 6.930 . 0 0 "[ . 1 .]" 3
18 1 7 A H2' 1 9 C H6 6.000 5.000 96.000 5.885 4.975 6.734 0.025 1 0 "[ . 1 .]" 3
19 1 7 A H3' 1 9 C H6 6.000 5.000 96.000 6.495 5.900 7.052 . 0 0 "[ . 1 .]" 3
20 1 7 A H2 1 29 U H5' 5.000 4.000 95.000 6.464 4.558 8.067 . 0 0 "[ . 1 .]" 3
21 1 7 A H2 1 29 U H5'' 5.000 4.000 95.000 7.004 4.944 9.400 . 0 0 "[ . 1 .]" 3
22 1 15 G H1' 1 27 U H1' 6.000 5.000 96.000 5.333 4.985 5.725 0.015 7 0 "[ . 1 .]" 3
23 1 15 G H1' 1 27 U H2' 6.000 5.000 96.000 6.017 5.376 6.615 . 0 0 "[ . 1 .]" 3
24 1 15 G H1' 1 28 A H2 6.000 5.000 96.000 6.018 5.159 6.457 . 0 0 "[ . 1 .]" 3
25 1 15 G H1' 1 28 A H8 6.000 5.000 96.000 5.759 5.101 6.556 . 0 0 "[ . 1 .]" 3
26 1 16 C H1' 1 25 A H2 6.000 5.000 96.000 6.933 6.177 7.442 . 0 0 "[ . 1 .]" 3
27 1 20 C H1' 1 21 A H2 6.000 5.000 96.000 6.173 5.437 6.515 . 0 0 "[ . 1 .]" 3
28 1 20 C H1' 1 21 A H3' 6.000 5.000 96.000 6.472 6.119 7.136 . 0 0 "[ . 1 .]" 3
29 1 21 A H4' 1 22 A H8 6.000 5.000 96.000 6.380 5.635 7.353 . 0 0 "[ . 1 .]" 3
30 1 22 A H8 1 23 A H2' 6.000 5.000 96.000 7.876 7.455 8.804 . 0 0 "[ . 1 .]" 3
31 1 22 A H2' 1 23 A H2' 6.000 5.000 96.000 5.333 4.982 6.207 0.018 3 0 "[ . 1 .]" 3
32 1 22 A H4' 1 23 A H8 6.000 5.000 96.000 5.641 5.461 5.947 . 0 0 "[ . 1 .]" 3
33 1 23 A H2' 1 24 C H6 6.000 5.000 96.000 5.008 4.867 5.309 0.133 3 0 "[ . 1 .]" 3
34 1 26 A H3' 1 27 U H1' 5.500 4.500 95.500 6.162 5.720 6.488 . 0 0 "[ . 1 .]" 3
35 1 27 U H5 1 28 A H8 6.000 5.000 96.000 8.098 7.558 8.590 . 0 0 "[ . 1 .]" 3
36 1 27 U H6 1 28 A H2' 5.500 4.500 95.500 5.403 4.907 6.051 . 0 0 "[ . 1 .]" 3
37 1 27 U H6 1 28 A H3' 6.000 5.000 96.000 5.304 4.930 5.860 0.070 11 0 "[ . 1 .]" 3
38 1 27 U H5 1 28 A H2' 6.000 5.000 96.000 6.677 6.042 7.429 . 0 0 "[ . 1 .]" 3
39 1 28 A H2' 1 29 U H6 5.500 4.500 95.500 5.277 4.895 5.649 . 0 0 "[ . 1 .]" 3
40 1 28 A H3' 1 29 U H6 5.500 5.000 95.500 5.435 4.905 6.062 0.095 15 0 "[ . 1 .]" 3
41 1 28 A H2 1 29 U H5 6.000 5.000 96.000 6.409 5.307 7.146 . 0 0 "[ . 1 .]" 3
42 1 28 A H2 1 29 U H6 6.000 5.000 96.000 6.361 5.462 7.055 . 0 0 "[ . 1 .]" 3
43 1 35 A H1' 1 36 C H2' 6.000 5.000 96.000 7.849 7.559 8.185 . 0 0 "[ . 1 .]" 3
44 1 35 A H4' 1 36 C H5 6.000 5.000 96.000 5.771 5.375 6.415 . 0 0 "[ . 1 .]" 3
45 1 35 A H4' 1 36 C H6 6.000 5.000 96.000 5.624 5.437 5.954 . 0 0 "[ . 1 .]" 3
stop_
save_
save_distance_constraint_statistics_4
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 4
_Distance_constraint_stats_list.Constraint_count 54
_Distance_constraint_stats_list.Viol_count 297
_Distance_constraint_stats_list.Viol_total 337.388
_Distance_constraint_stats_list.Viol_max 0.318
_Distance_constraint_stats_list.Viol_rms 0.0522
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0278
_Distance_constraint_stats_list.Viol_average_violations_only 0.0757
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 2 C 0.353 0.045 8 0 "[ . 1 .]"
1 3 G 5.113 0.214 6 0 "[ . 1 .]"
1 4 G 1.796 0.094 1 0 "[ . 1 .]"
1 5 C 1.153 0.080 1 0 "[ . 1 .]"
1 6 C 0.444 0.066 1 0 "[ . 1 .]"
1 8 G 4.286 0.194 10 0 "[ . 1 .]"
1 9 C 3.414 0.168 10 0 "[ . 1 .]"
1 10 U 2.162 0.142 8 0 "[ . 1 .]"
1 11 C 0.849 0.080 6 0 "[ . 1 .]"
1 12 C 0.086 0.061 6 0 "[ . 1 .]"
1 13 A 0.000 0.000 . 0 "[ . 1 .]"
1 14 G 0.000 0.000 . 0 "[ . 1 .]"
1 15 G 0.935 0.066 1 0 "[ . 1 .]"
1 16 C 0.397 0.081 10 0 "[ . 1 .]"
1 17 C 2.406 0.154 1 0 "[ . 1 .]"
1 18 G 7.127 0.214 6 0 "[ . 1 .]"
1 19 C 0.951 0.121 6 0 "[ . 1 .]"
1 26 A 0.216 0.061 9 0 "[ . 1 .]"
1 29 U 3.571 0.318 6 0 "[ . 1 .]"
1 30 G 3.571 0.318 6 0 "[ . 1 .]"
1 31 G 2.016 0.116 10 0 "[ . 1 .]"
1 32 A 1.498 0.116 10 0 "[ . 1 .]"
1 33 G 0.181 0.026 10 0 "[ . 1 .]"
1 34 C 1.917 0.194 10 0 "[ . 1 .]"
1 35 A 0.547 0.088 7 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 3 G H1 1 18 G H1 5.000 4.000 6.000 4.163 4.105 4.237 . 0 0 "[ . 1 .]" 4
2 1 2 C N4 1 18 G H1 3.000 . 4.000 2.932 2.819 2.987 . 0 0 "[ . 1 .]" 4
3 1 17 C N4 1 18 G H1 4.400 3.400 5.400 5.487 5.410 5.554 0.154 1 0 "[ . 1 .]" 4
4 1 18 G H1 1 19 C H1' 5.000 4.000 6.000 6.063 6.029 6.121 0.121 6 0 "[ . 1 .]" 4
5 1 3 G H1' 1 18 G H1 4.000 3.000 5.000 5.158 5.100 5.214 0.214 6 0 "[ . 1 .]" 4
6 1 2 C H5 1 18 G H1 4.000 3.000 5.000 5.022 4.984 5.045 0.045 8 0 "[ . 1 .]" 4
7 1 3 G H1 1 4 G H1 5.000 4.000 6.000 4.535 4.378 4.718 . 0 0 "[ . 1 .]" 4
8 1 3 G H1 1 17 C H5 4.000 3.000 5.000 5.028 4.957 5.051 0.051 2 0 "[ . 1 .]" 4
9 1 3 G H1 1 18 G H1' 4.000 3.000 5.000 5.143 5.085 5.201 0.201 4 0 "[ . 1 .]" 4
10 1 3 G H1 1 4 G H1' 5.000 4.000 6.000 5.574 5.221 6.004 0.004 9 0 "[ . 1 .]" 4
11 1 3 G H1 1 17 C N4 3.000 . 4.000 2.916 2.804 2.967 . 0 0 "[ . 1 .]" 4
12 1 2 C N4 1 3 G H1 5.000 4.000 6.000 5.436 5.279 5.613 . 0 0 "[ . 1 .]" 4
13 1 3 G H1 1 16 C N4 5.000 4.000 6.000 5.892 5.512 6.061 0.061 11 0 "[ . 1 .]" 4
14 1 4 G H1 1 15 G H1 5.000 4.000 6.000 4.573 4.401 4.708 . 0 0 "[ . 1 .]" 4
15 1 4 G H1 1 16 C H5 4.000 3.000 5.000 5.015 4.975 5.081 0.081 10 0 "[ . 1 .]" 4
16 1 4 G H1 1 17 C H5 4.000 3.000 5.000 5.020 4.876 5.094 0.094 1 0 "[ . 1 .]" 4
17 1 4 G H1 1 16 C N4 3.000 . 4.000 2.799 2.740 2.949 . 0 0 "[ . 1 .]" 4
18 1 4 G H1 1 17 C N4 5.000 4.000 6.000 4.183 3.944 4.424 0.056 14 0 "[ . 1 .]" 4
19 1 4 G H1 1 5 C N4 4.400 3.400 5.400 5.444 5.398 5.480 0.080 1 0 "[ . 1 .]" 4
20 1 4 G N2 1 26 A H2 4.400 3.400 5.400 3.544 3.339 4.186 0.061 9 0 "[ . 1 .]" 4
21 1 14 G H1 1 15 G H1 5.000 4.000 6.000 4.349 4.017 4.759 . 0 0 "[ . 1 .]" 4
22 1 5 C H5 1 15 G H1 4.000 3.000 5.000 5.033 5.013 5.047 0.047 14 0 "[ . 1 .]" 4
23 1 6 C H5 1 15 G H1 4.000 3.000 5.000 4.990 4.758 5.066 0.066 1 0 "[ . 1 .]" 4
24 1 5 C N4 1 15 G H1 3.000 . 4.000 2.907 2.867 2.941 . 0 0 "[ . 1 .]" 4
25 1 15 G H1 1 16 C N4 4.400 3.400 5.400 5.078 4.976 5.281 . 0 0 "[ . 1 .]" 4
26 1 13 A H2 1 29 U H3 3.000 . 4.000 2.568 2.507 2.619 . 0 0 "[ . 1 .]" 4
27 1 30 G H1 1 31 G H1 4.000 3.000 5.000 4.093 3.923 4.414 . 0 0 "[ . 1 .]" 4
28 1 12 C N4 1 30 G H1 3.000 . 4.000 2.665 2.638 2.697 . 0 0 "[ . 1 .]" 4
29 1 11 C N4 1 30 G H1 5.000 4.000 6.000 5.144 4.878 5.524 . 0 0 "[ . 1 .]" 4
30 1 13 A H2 1 30 G H1 5.000 4.000 6.000 5.330 5.159 5.490 . 0 0 "[ . 1 .]" 4
31 1 12 C H5 1 30 G H1 4.000 3.000 5.000 4.922 4.915 4.935 . 0 0 "[ . 1 .]" 4
32 1 29 U H5 1 30 G H1 4.000 3.000 5.000 5.238 5.183 5.318 0.318 6 0 "[ . 1 .]" 4
33 1 10 U H3 1 31 G H1 4.000 3.000 5.000 4.258 4.083 4.378 . 0 0 "[ . 1 .]" 4
34 1 11 C N4 1 31 G H1 3.000 . 4.000 2.987 2.891 3.057 . 0 0 "[ . 1 .]" 4
35 1 12 C N4 1 31 G H1 4.400 3.400 5.400 3.846 3.599 4.184 . 0 0 "[ . 1 .]" 4
36 1 31 G H1 1 32 A H2 4.000 3.000 5.000 5.078 5.010 5.116 0.116 10 0 "[ . 1 .]" 4
37 1 11 C H5 1 31 G H1 4.000 3.000 5.000 5.051 5.011 5.080 0.080 6 0 "[ . 1 .]" 4
38 1 12 C H5 1 31 G H1 4.000 3.000 5.000 4.843 4.589 5.061 0.061 6 0 "[ . 1 .]" 4
39 1 10 U H3 1 33 G H1 4.000 3.000 5.000 4.009 3.975 4.053 . 0 0 "[ . 1 .]" 4
40 1 10 U H3 1 32 A H2 2.400 . 3.000 3.019 2.978 3.069 0.069 1 0 "[ . 1 .]" 4
41 1 10 U H3 1 11 C H5 4.000 3.000 5.000 4.913 4.497 5.037 0.037 13 0 "[ . 1 .]" 4
42 1 9 C N4 1 10 U H3 4.400 3.400 5.400 5.506 5.471 5.542 0.142 8 0 "[ . 1 .]" 4
43 1 10 U H3 1 11 C N4 4.400 3.400 5.400 4.368 4.082 4.442 . 0 0 "[ . 1 .]" 4
44 1 8 G H1 1 33 G H1 4.000 3.000 5.000 3.857 3.748 3.956 . 0 0 "[ . 1 .]" 4
45 1 9 C H5 1 33 G H1 4.000 3.000 5.000 4.824 4.803 4.846 . 0 0 "[ . 1 .]" 4
46 1 10 U H5 1 33 G H1 4.000 3.000 5.000 4.965 4.792 5.026 0.026 10 0 "[ . 1 .]" 4
47 1 32 A H2 1 33 G H1 5.000 4.000 6.000 5.907 5.811 6.014 0.014 4 0 "[ . 1 .]" 4
48 1 9 C N4 1 33 G H1 2.400 . 3.000 2.687 2.666 2.702 . 0 0 "[ . 1 .]" 4
49 1 8 G H1 1 34 C N4 3.000 . 4.000 3.069 3.005 3.235 . 0 0 "[ . 1 .]" 4
50 1 8 G H1 1 9 C N4 4.400 3.400 5.400 3.836 3.693 4.117 . 0 0 "[ . 1 .]" 4
51 1 8 G H1 1 35 A H1' 4.000 3.000 5.000 4.711 4.087 5.088 0.088 7 0 "[ . 1 .]" 4
52 1 8 G H1 1 9 C H1' 4.000 3.000 5.000 5.122 5.073 5.168 0.168 10 0 "[ . 1 .]" 4
53 1 8 G H1 1 34 C H5 4.000 3.000 5.000 5.128 5.099 5.194 0.194 10 0 "[ . 1 .]" 4
54 1 8 G H1 1 35 A H2 4.000 3.000 5.000 4.911 4.455 5.070 0.070 14 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 34
_Distance_constraint_stats_list.Viol_count 250
_Distance_constraint_stats_list.Viol_total 252.074
_Distance_constraint_stats_list.Viol_max 0.183
_Distance_constraint_stats_list.Viol_rms 0.0481
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0330
_Distance_constraint_stats_list.Viol_average_violations_only 0.0672
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 G 2.048 0.146 8 0 "[ . 1 .]"
1 2 C 1.886 0.136 14 0 "[ . 1 .]"
1 3 G 2.488 0.170 8 0 "[ . 1 .]"
1 4 G 1.571 0.118 6 0 "[ . 1 .]"
1 5 C 0.791 0.074 5 0 "[ . 1 .]"
1 6 C 0.137 0.044 4 0 "[ . 1 .]"
1 8 G 2.272 0.183 2 0 "[ . 1 .]"
1 9 C 0.329 0.067 2 0 "[ . 1 .]"
1 10 U 1.799 0.134 2 0 "[ . 1 .]"
1 11 C 0.208 0.041 11 0 "[ . 1 .]"
1 12 C 1.996 0.170 11 0 "[ . 1 .]"
1 13 A 1.281 0.128 9 0 "[ . 1 .]"
1 14 G 0.137 0.044 4 0 "[ . 1 .]"
1 15 G 0.791 0.074 5 0 "[ . 1 .]"
1 16 C 1.571 0.118 6 0 "[ . 1 .]"
1 17 C 2.488 0.170 8 0 "[ . 1 .]"
1 18 G 1.886 0.136 14 0 "[ . 1 .]"
1 19 C 2.048 0.146 8 0 "[ . 1 .]"
1 29 U 1.281 0.128 9 0 "[ . 1 .]"
1 30 G 1.996 0.170 11 0 "[ . 1 .]"
1 31 G 0.208 0.041 11 0 "[ . 1 .]"
1 32 A 1.799 0.134 2 0 "[ . 1 .]"
1 33 G 0.329 0.067 2 0 "[ . 1 .]"
1 34 C 2.272 0.183 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 1 G O6 1 19 C N4 2.910 2.810 3.010 3.146 3.126 3.156 0.146 8 0 "[ . 1 .]" 5
2 1 1 G N1 1 19 C N3 2.950 2.850 3.050 3.038 3.032 3.046 . 0 0 "[ . 1 .]" 5
3 1 1 G N2 1 19 C O2 2.860 2.760 2.960 2.770 2.748 2.803 0.012 8 0 "[ . 1 .]" 5
4 1 2 C N4 1 18 G O6 2.910 2.810 3.010 2.781 2.743 2.877 0.067 4 0 "[ . 1 .]" 5
5 1 2 C N3 1 18 G N1 2.950 2.850 3.050 2.987 2.974 3.023 . 0 0 "[ . 1 .]" 5
6 1 2 C O2 1 18 G N2 2.860 2.760 2.960 3.052 3.007 3.096 0.136 14 0 "[ . 1 .]" 5
7 1 3 G O6 1 17 C N4 2.910 2.810 3.010 2.761 2.724 2.794 0.086 1 0 "[ . 1 .]" 5
8 1 3 G N1 1 17 C N3 2.950 2.850 3.050 3.001 2.974 3.029 . 0 0 "[ . 1 .]" 5
9 1 3 G N2 1 17 C O2 2.860 2.760 2.960 3.076 3.034 3.130 0.170 8 0 "[ . 1 .]" 5
10 1 4 G O6 1 16 C N4 2.910 2.810 3.010 3.072 2.993 3.128 0.118 6 0 "[ . 1 .]" 5
11 1 4 G N1 1 16 C N3 2.950 2.850 3.050 3.085 3.060 3.115 0.065 2 0 "[ . 1 .]" 5
12 1 4 G N2 1 16 C O2 2.860 2.760 2.960 2.924 2.806 2.993 0.033 1 0 "[ . 1 .]" 5
13 1 5 C N4 1 15 G O6 2.910 2.810 3.010 3.061 3.034 3.084 0.074 5 0 "[ . 1 .]" 5
14 1 5 C N3 1 15 G N1 2.950 2.850 3.050 3.001 2.987 3.023 . 0 0 "[ . 1 .]" 5
15 1 5 C O2 1 15 G N2 2.860 2.760 2.960 2.780 2.737 2.808 0.023 5 0 "[ . 1 .]" 5
16 1 6 C N4 1 14 G O6 2.910 2.410 3.410 2.900 2.682 3.318 . 0 0 "[ . 1 .]" 5
17 1 6 C N3 1 14 G N1 2.950 2.450 3.450 3.141 3.012 3.392 . 0 0 "[ . 1 .]" 5
18 1 6 C O2 1 14 G N2 2.860 2.360 3.360 3.275 3.097 3.404 0.044 4 0 "[ . 1 .]" 5
19 1 13 A N6 1 29 U O4 2.950 2.450 3.450 2.634 2.594 2.679 . 0 0 "[ . 1 .]" 5
20 1 13 A N1 1 29 U N3 2.820 2.320 3.320 3.405 3.351 3.448 0.128 9 0 "[ . 1 .]" 5
21 1 12 C N4 1 30 G O6 2.910 2.810 3.010 3.134 3.090 3.180 0.170 11 0 "[ . 1 .]" 5
22 1 12 C N3 1 30 G N1 2.950 2.850 3.050 3.053 3.016 3.089 0.039 6 0 "[ . 1 .]" 5
23 1 12 C O2 1 30 G N2 2.860 2.760 2.960 2.796 2.766 2.868 . 0 0 "[ . 1 .]" 5
24 1 11 C N4 1 31 G O6 2.910 2.810 3.010 3.008 2.942 3.051 0.041 11 0 "[ . 1 .]" 5
25 1 11 C N3 1 31 G N1 2.950 2.850 3.050 2.965 2.954 2.980 . 0 0 "[ . 1 .]" 5
26 1 11 C O2 1 31 G N2 2.860 2.760 2.960 2.781 2.738 2.822 0.022 11 0 "[ . 1 .]" 5
27 1 10 U O4 1 32 A N6 2.950 2.850 3.050 2.869 2.818 2.987 0.032 4 0 "[ . 1 .]" 5
28 1 10 U N3 1 32 A N1 2.820 2.720 2.920 3.031 3.004 3.054 0.134 2 0 "[ . 1 .]" 5
29 1 9 C N4 1 33 G O6 2.910 2.810 3.010 2.791 2.743 2.852 0.067 2 0 "[ . 1 .]" 5
30 1 9 C N3 1 33 G N1 2.950 2.850 3.050 2.881 2.864 2.923 . 0 0 "[ . 1 .]" 5
31 1 9 C O2 1 33 G N2 2.860 2.760 2.960 2.825 2.766 2.942 . 0 0 "[ . 1 .]" 5
32 1 8 G O6 1 34 C N4 2.910 2.810 3.010 2.802 2.787 2.824 0.023 15 0 "[ . 1 .]" 5
33 1 8 G N1 1 34 C N3 2.950 2.850 3.050 3.034 2.985 3.053 0.003 14 0 "[ . 1 .]" 5
34 1 8 G N2 1 34 C O2 2.860 2.760 2.960 3.101 3.030 3.143 0.183 2 0 "[ . 1 .]" 5
stop_
save_
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