NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
565592 |
2mb3   |
19387 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2mb3
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 45
_Distance_constraint_stats_list.Viol_count 72
_Distance_constraint_stats_list.Viol_total 30.000
_Distance_constraint_stats_list.Viol_max 0.138
_Distance_constraint_stats_list.Viol_rms 0.0210
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0067
_Distance_constraint_stats_list.Viol_average_violations_only 0.0417
_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 3 DG 1.489 0.138 1 0 "[ . 1]"
1 4 DG 0.375 0.072 2 0 "[ . 1]"
1 5 DG 0.128 0.031 4 0 "[ . 1]"
1 9 DG 1.085 0.138 1 0 "[ . 1]"
1 10 DG 0.078 0.031 4 0 "[ . 1]"
1 11 DG 0.162 0.043 7 0 "[ . 1]"
1 13 DT 0.059 0.021 4 0 "[ . 1]"
1 14 DA 0.000 0.000 . 0 "[ . 1]"
1 15 DG 0.005 0.005 5 0 "[ . 1]"
1 16 DG 0.569 0.082 8 0 "[ . 1]"
1 17 DG 0.000 0.000 . 0 "[ . 1]"
1 21 DG 0.668 0.088 9 0 "[ . 1]"
1 22 DG 0.431 0.072 2 0 "[ . 1]"
1 23 DG 0.512 0.082 8 0 "[ . 1]"
1 24 DA 0.013 0.009 9 0 "[ . 1]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 3 DG H1 1 9 DG H1 5.000 3.500 6.500 4.465 4.364 4.529 . 0 0 "[ . 1]" 1
2 1 3 DG H1 1 21 DG H1' 5.000 3.500 6.500 6.540 6.505 6.588 0.088 9 0 "[ . 1]" 1
3 1 3 DG H1 1 21 DG H8 4.000 2.800 5.200 4.488 4.429 4.528 . 0 0 "[ . 1]" 1
4 1 4 DG H1 1 5 DG H1 4.000 2.800 5.200 3.619 3.150 4.247 . 0 0 "[ . 1]" 1
5 1 4 DG H1 1 10 DG H8 4.000 2.800 5.200 4.814 4.532 5.209 0.009 5 0 "[ . 1]" 1
6 1 5 DG H1 1 10 DG Q2' 4.000 2.500 8.000 5.027 4.641 5.656 . 0 0 "[ . 1]" 1
7 1 5 DG H1 1 10 DG H8 4.000 2.800 5.200 5.012 4.743 5.231 0.031 4 0 "[ . 1]" 1
8 1 5 DG H1 1 11 DG H8 4.000 2.500 8.000 5.151 4.617 5.585 . 0 0 "[ . 1]" 1
9 1 5 DG H1 1 13 DT H6 4.000 2.800 5.200 4.990 4.724 5.182 . 0 0 "[ . 1]" 1
10 1 5 DG H1 1 13 DT C7 3.000 2.100 4.400 4.252 4.009 4.421 0.021 4 0 "[ . 1]" 1
11 1 3 DG H8 1 9 DG H1 3.000 2.100 3.900 4.009 3.980 4.038 0.138 1 0 "[ . 1]" 1
12 1 4 DG H1 1 10 DG H1 5.000 3.500 6.500 4.228 4.117 4.329 . 0 0 "[ . 1]" 1
13 1 10 DG H1 1 11 DG H1 4.000 2.800 5.200 3.497 3.194 3.874 . 0 0 "[ . 1]" 1
14 1 10 DG H1 1 16 DG H8 5.000 3.500 6.500 5.247 4.680 5.468 . 0 0 "[ . 1]" 1
15 1 11 DG H1 1 11 DG H2'' 5.000 3.500 7.000 6.955 6.660 7.043 0.043 7 0 "[ . 1]" 1
16 1 11 DG H1 1 13 DT H6 4.000 3.500 5.200 4.456 4.127 4.761 . 0 0 "[ . 1]" 1
17 1 11 DG H1 1 13 DT C7 4.000 2.500 8.000 5.953 5.757 6.206 . 0 0 "[ . 1]" 1
18 1 11 DG H1 1 13 DT H1' 3.000 2.100 3.900 2.928 2.369 3.501 . 0 0 "[ . 1]" 1
19 1 11 DG H1 1 13 DT H2' 4.000 2.500 8.000 5.573 5.192 5.836 . 0 0 "[ . 1]" 1
20 1 11 DG H1 1 13 DT H2'' 5.000 3.500 6.500 4.997 4.545 5.553 . 0 0 "[ . 1]" 1
21 1 11 DG H1 1 13 DT H4' 4.000 2.800 5.200 4.169 3.965 4.461 . 0 0 "[ . 1]" 1
22 1 11 DG H1 1 13 DT H5' 5.000 3.500 6.500 5.164 4.507 5.783 . 0 0 "[ . 1]" 1
23 1 11 DG H1 1 15 DG H8 4.000 2.800 5.200 4.821 4.601 5.190 . 0 0 "[ . 1]" 1
24 1 13 DT H3 1 24 DA H2 3.000 2.100 3.900 2.483 2.299 2.579 . 0 0 "[ . 1]" 1
25 1 13 DT H1' 1 15 DG H1 5.000 3.500 6.500 4.419 3.647 4.966 . 0 0 "[ . 1]" 1
26 1 13 DT H2'' 1 15 DG H1 5.000 3.500 6.500 5.350 4.992 5.742 . 0 0 "[ . 1]" 1
27 1 14 DA H1' 1 15 DG H1 5.000 3.500 6.500 5.593 4.902 5.910 . 0 0 "[ . 1]" 1
28 1 14 DA H4' 1 15 DG H1 5.000 3.500 6.500 4.409 3.998 4.796 . 0 0 "[ . 1]" 1
29 1 15 DG H1 1 23 DG H1 5.000 3.500 6.500 4.042 3.920 4.131 . 0 0 "[ . 1]" 1
30 1 15 DG H1 1 23 DG H8 4.000 2.500 8.000 5.349 5.004 5.731 . 0 0 "[ . 1]" 1
31 1 15 DG H2'' 1 16 DG H1 4.000 2.800 5.200 4.843 4.671 5.205 0.005 5 0 "[ . 1]" 1
32 1 15 DG H2' 1 16 DG H1 5.000 3.500 6.500 4.445 4.203 4.968 . 0 0 "[ . 1]" 1
33 1 16 DG H1 1 22 DG H8 4.000 2.800 5.200 5.164 5.026 5.229 0.029 4 0 "[ . 1]" 1
34 1 16 DG H1 1 23 DG H1 5.000 3.500 6.500 6.550 6.523 6.582 0.082 8 0 "[ . 1]" 1
35 1 9 DG H8 1 17 DG H1 5.000 3.500 6.500 4.888 4.608 5.202 . 0 0 "[ . 1]" 1
36 1 16 DG Q2' 1 21 DG H1 5.000 3.500 6.500 5.542 5.231 5.761 . 0 0 "[ . 1]" 1
37 1 17 DG H8 1 21 DG H1 5.000 3.500 6.500 5.030 4.714 5.220 . 0 0 "[ . 1]" 1
38 1 21 DG H1 1 21 DG H2' 4.000 2.500 5.500 5.516 5.445 5.579 0.079 5 0 "[ . 1]" 1
39 1 4 DG H8 1 22 DG H1 4.000 2.800 5.200 5.192 4.753 5.272 0.072 2 0 "[ . 1]" 1
40 1 4 DG H2' 1 23 DG H1 5.000 3.500 6.500 5.594 5.374 5.938 . 0 0 "[ . 1]" 1
41 1 4 DG H2'' 1 23 DG H1 5.000 3.500 6.500 5.457 5.004 5.945 . 0 0 "[ . 1]" 1
42 1 4 DG H8 1 23 DG H1 5.000 3.500 6.500 4.905 4.515 5.259 . 0 0 "[ . 1]" 1
43 1 5 DG H8 1 23 DG H1 5.000 3.500 6.500 4.861 4.636 5.160 . 0 0 "[ . 1]" 1
44 1 23 DG H1 1 24 DA H2 4.000 2.800 5.200 3.190 2.959 3.400 . 0 0 "[ . 1]" 1
45 1 23 DG H1 1 24 DA H1' 5.000 3.500 6.500 6.391 6.224 6.509 0.009 9 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 429
_Distance_constraint_stats_list.Viol_count 588
_Distance_constraint_stats_list.Viol_total 358.597
_Distance_constraint_stats_list.Viol_max 0.903
_Distance_constraint_stats_list.Viol_rms 0.0421
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0084
_Distance_constraint_stats_list.Viol_average_violations_only 0.0610
_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 DT 8.614 0.903 1 3 "[+* . - 1]"
1 2 DT 3.772 0.903 1 3 "[+* . - 1]"
1 3 DG 3.088 0.161 9 0 "[ . 1]"
1 4 DG 1.757 0.088 4 0 "[ . 1]"
1 5 DG 2.376 0.138 8 0 "[ . 1]"
1 6 DT 2.237 0.117 5 0 "[ . 1]"
1 7 DT 0.729 0.140 10 0 "[ . 1]"
1 8 DA 0.671 0.140 10 0 "[ . 1]"
1 9 DG 2.821 0.131 2 0 "[ . 1]"
1 10 DG 1.013 0.077 1 0 "[ . 1]"
1 11 DG 5.516 0.824 7 1 "[ . + 1]"
1 12 DT 0.705 0.527 8 1 "[ . + 1]"
1 13 DT 6.553 0.824 7 2 "[ . +- 1]"
1 14 DA 1.925 0.432 10 0 "[ . 1]"
1 15 DG 0.235 0.034 9 0 "[ . 1]"
1 16 DG 0.215 0.090 5 0 "[ . 1]"
1 17 DG 2.340 0.133 10 0 "[ . 1]"
1 18 DT 2.266 0.203 3 0 "[ . 1]"
1 19 DT 0.634 0.098 8 0 "[ . 1]"
1 20 DA 1.059 0.410 4 0 "[ . 1]"
1 21 DG 0.568 0.290 7 0 "[ . 1]"
1 22 DG 0.076 0.027 3 0 "[ . 1]"
1 23 DG 0.398 0.050 7 0 "[ . 1]"
1 24 DA 1.804 0.121 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 1 DT H1' 1 1 DT H2'' 2.900 . 4.000 2.351 2.167 2.645 . 0 0 "[ . 1]" 2
2 1 1 DT H1' 1 1 DT H2' 4.000 2.500 5.000 3.007 2.850 3.035 . 0 0 "[ . 1]" 2
3 1 1 DT H1' 1 1 DT Q5' 5.500 4.000 7.000 4.214 4.006 4.345 . 0 0 "[ . 1]" 2
4 1 1 DT C7 1 1 DT H3' 5.500 4.000 7.500 6.552 5.108 6.928 . 0 0 "[ . 1]" 2
5 1 1 DT H3' 1 1 DT Q5' 4.000 2.500 5.000 2.491 2.377 2.804 0.123 1 0 "[ . 1]" 2
6 1 1 DT H3' 1 2 DT C7 5.500 4.000 7.500 5.270 3.981 7.136 0.019 7 0 "[ . 1]" 2
7 1 1 DT H4' 1 1 DT Q5' 2.900 . 4.000 2.214 2.189 2.415 . 0 0 "[ . 1]" 2
8 1 1 DT H4' 1 2 DT C7 5.500 4.000 7.500 6.206 4.822 6.991 . 0 0 "[ . 1]" 2
9 1 1 DT H2'' 1 1 DT Q5' 5.500 4.000 7.000 4.498 4.248 4.642 . 0 0 "[ . 1]" 2
10 1 1 DT H2' 1 1 DT Q5' 5.500 4.000 7.000 3.817 3.405 4.504 0.595 1 1 "[+ . 1]" 2
11 1 1 DT Q5' 1 1 DT H6 5.500 4.000 7.000 4.133 3.530 5.206 0.470 1 0 "[ . 1]" 2
12 1 1 DT C7 1 1 DT Q5' 5.500 4.000 7.500 6.172 5.672 6.757 . 0 0 "[ . 1]" 2
13 1 1 DT Q5' 1 2 DT C7 5.500 4.000 7.500 5.529 3.416 6.711 0.584 8 1 "[ . + 1]" 2
14 1 1 DT C7 1 1 DT H6 2.900 . 4.500 2.657 2.647 2.662 . 0 0 "[ . 1]" 2
15 1 1 DT H1' 1 1 DT H6 4.000 2.500 5.000 3.639 3.107 3.743 . 0 0 "[ . 1]" 2
16 1 1 DT H2'' 1 1 DT H6 4.000 2.500 5.000 3.622 2.650 4.271 . 0 0 "[ . 1]" 2
17 1 1 DT H2' 1 1 DT H6 2.900 . 4.000 2.385 1.823 3.144 . 0 0 "[ . 1]" 2
18 1 1 DT H3' 1 1 DT H6 4.000 2.500 5.000 4.019 2.718 4.441 . 0 0 "[ . 1]" 2
19 1 1 DT H4' 1 1 DT H6 5.500 4.000 7.000 4.720 4.176 5.527 . 0 0 "[ . 1]" 2
20 1 1 DT H6 1 2 DT C7 5.500 4.000 7.500 5.339 3.997 7.508 0.008 1 0 "[ . 1]" 2
21 1 1 DT H6 1 21 DG H4' 5.500 4.000 7.000 6.682 5.541 7.070 0.070 9 0 "[ . 1]" 2
22 1 2 DT H1' 1 2 DT H4' 4.000 2.500 5.000 3.104 2.753 3.738 . 0 0 "[ . 1]" 2
23 1 2 DT C7 1 2 DT H1' 4.000 2.500 8.000 5.757 5.421 5.833 . 0 0 "[ . 1]" 2
24 1 2 DT H1' 1 2 DT H2'' 2.900 . 4.000 2.268 2.106 2.383 . 0 0 "[ . 1]" 2
25 1 2 DT H1' 1 2 DT H3' 4.000 2.500 5.000 3.857 3.813 4.032 . 0 0 "[ . 1]" 2
26 1 2 DT C7 1 2 DT H3' 5.500 4.000 7.500 6.636 6.499 6.761 . 0 0 "[ . 1]" 2
27 1 2 DT H4' 1 2 DT H6 5.500 4.000 7.000 4.701 4.363 5.460 . 0 0 "[ . 1]" 2
28 1 2 DT C7 1 2 DT H6 2.900 . 4.500 2.661 2.654 2.668 . 0 0 "[ . 1]" 2
29 1 2 DT H1' 1 2 DT H6 4.000 2.500 5.000 3.623 3.143 3.736 . 0 0 "[ . 1]" 2
30 1 2 DT H2' 1 2 DT H6 2.900 . 4.000 2.282 1.858 2.777 . 0 0 "[ . 1]" 2
31 1 2 DT H2'' 1 2 DT H6 4.000 2.500 5.000 3.501 2.470 4.090 0.030 2 0 "[ . 1]" 2
32 1 2 DT H3' 1 2 DT H6 4.000 2.500 5.000 4.103 3.936 4.292 . 0 0 "[ . 1]" 2
33 1 1 DT H1' 1 2 DT H6 5.500 4.000 7.000 4.822 3.980 6.774 0.020 3 0 "[ . 1]" 2
34 1 1 DT H3' 1 2 DT H6 5.500 4.000 7.000 4.885 3.980 6.602 0.020 5 0 "[ . 1]" 2
35 1 1 DT H6 1 2 DT H6 5.500 4.000 7.000 5.899 4.918 7.030 0.030 1 0 "[ . 1]" 2
36 1 1 DT Q5' 1 2 DT H6 5.500 4.000 7.000 5.241 3.097 6.287 0.903 1 3 "[+* . - 1]" 2
37 1 3 DG H1' 1 3 DG H2'' 2.900 . 4.000 2.222 2.161 2.322 . 0 0 "[ . 1]" 2
38 1 3 DG H1' 1 3 DG H2' 2.900 . 4.000 3.020 3.007 3.028 . 0 0 "[ . 1]" 2
39 1 3 DG H1' 1 4 DG H1' 5.500 4.000 7.000 4.391 4.027 4.675 . 0 0 "[ . 1]" 2
40 1 3 DG H2' 1 3 DG H2'' 2.900 . 4.000 1.797 1.795 1.798 0.005 8 0 "[ . 1]" 2
41 1 3 DG H2' 1 4 DG H2' 5.500 4.000 7.000 5.169 4.654 5.503 . 0 0 "[ . 1]" 2
42 1 3 DG H2'' 1 3 DG H3' 4.000 2.500 5.000 2.965 2.861 3.050 . 0 0 "[ . 1]" 2
43 1 3 DG H2' 1 3 DG H3' 4.000 2.500 5.000 2.358 2.339 2.396 0.161 9 0 "[ . 1]" 2
44 1 3 DG H3' 1 3 DG H4' 4.000 2.500 5.000 2.885 2.743 2.963 . 0 0 "[ . 1]" 2
45 1 3 DG H2' 1 3 DG H4' 5.500 4.000 7.000 3.915 3.876 3.943 0.124 5 0 "[ . 1]" 2
46 1 3 DG H2' 1 3 DG H8 5.500 4.000 7.000 4.525 4.428 4.603 . 0 0 "[ . 1]" 2
47 1 3 DG H2'' 1 3 DG H8 5.500 4.000 7.000 4.044 3.982 4.156 0.018 9 0 "[ . 1]" 2
48 1 3 DG H3' 1 3 DG H8 5.500 4.000 7.000 6.142 6.116 6.171 . 0 0 "[ . 1]" 2
49 1 3 DG H4' 1 3 DG H8 5.500 4.000 7.000 5.301 4.996 5.694 . 0 0 "[ . 1]" 2
50 1 3 DG H8 1 4 DG H1' 5.500 4.000 7.000 3.967 3.912 4.187 0.088 4 0 "[ . 1]" 2
51 1 3 DG H8 1 4 DG H3' 5.500 4.000 7.000 6.738 6.461 7.000 . 0 0 "[ . 1]" 2
52 1 3 DG H8 1 7 DT H1' 5.500 4.000 7.000 6.490 5.529 7.025 0.025 9 0 "[ . 1]" 2
53 1 3 DG H8 1 6 DT C7 5.500 4.000 7.500 7.001 6.205 7.524 0.024 5 0 "[ . 1]" 2
54 1 4 DG H1' 1 4 DG H2'' 2.900 . 4.000 2.141 2.061 2.194 . 0 0 "[ . 1]" 2
55 1 4 DG H1' 1 4 DG H2' 2.900 . 4.000 3.022 3.003 3.032 . 0 0 "[ . 1]" 2
56 1 4 DG H1' 1 4 DG H3' 4.000 2.500 5.000 3.846 3.800 3.902 . 0 0 "[ . 1]" 2
57 1 4 DG H1' 1 4 DG H4' 2.900 . 4.000 2.838 2.722 3.084 . 0 0 "[ . 1]" 2
58 1 4 DG H1' 1 6 DT C7 5.500 4.000 7.500 4.755 4.139 5.360 . 0 0 "[ . 1]" 2
59 1 4 DG H3' 1 6 DT C7 5.500 4.000 7.500 4.795 3.970 5.412 0.030 5 0 "[ . 1]" 2
60 1 3 DG H1' 1 4 DG H8 5.500 4.000 7.000 4.450 4.243 4.699 . 0 0 "[ . 1]" 2
61 1 3 DG H2'' 1 4 DG H8 4.000 2.500 5.000 2.581 2.464 2.885 0.036 9 0 "[ . 1]" 2
62 1 3 DG H2' 1 4 DG H8 4.000 2.500 5.000 3.211 3.013 3.692 . 0 0 "[ . 1]" 2
63 1 3 DG H3' 1 4 DG H8 5.500 4.000 7.000 4.877 4.555 5.317 . 0 0 "[ . 1]" 2
64 1 3 DG H4' 1 4 DG H8 5.500 4.000 7.000 6.388 6.138 6.702 . 0 0 "[ . 1]" 2
65 1 3 DG H8 1 4 DG H8 5.500 4.000 7.000 5.187 4.883 5.477 . 0 0 "[ . 1]" 2
66 1 4 DG H1' 1 4 DG H8 5.500 4.000 7.000 3.935 3.922 3.941 0.078 5 0 "[ . 1]" 2
67 1 4 DG H2'' 1 4 DG H8 2.900 . 4.000 3.696 3.389 4.004 0.004 1 0 "[ . 1]" 2
68 1 4 DG H2' 1 4 DG H8 2.900 . 4.000 2.415 2.226 2.694 . 0 0 "[ . 1]" 2
69 1 4 DG H3' 1 4 DG H8 5.500 4.000 7.000 4.202 3.988 4.424 0.012 1 0 "[ . 1]" 2
70 1 4 DG H4' 1 4 DG H8 5.500 4.000 7.000 5.024 4.885 5.164 . 0 0 "[ . 1]" 2
71 1 4 DG H8 1 5 DG H8 5.500 4.000 7.000 5.464 5.195 5.732 . 0 0 "[ . 1]" 2
72 1 4 DG H1' 1 5 DG H1' 5.500 4.000 7.000 5.344 4.728 6.116 . 0 0 "[ . 1]" 2
73 1 5 DG H1' 1 5 DG H2'' 2.900 . 4.000 2.295 2.247 2.329 . 0 0 "[ . 1]" 2
74 1 5 DG H1' 1 5 DG H3' 4.000 2.500 5.000 3.856 3.783 4.033 . 0 0 "[ . 1]" 2
75 1 5 DG H1' 1 5 DG H4' 4.000 2.500 5.000 3.149 2.649 3.711 . 0 0 "[ . 1]" 2
76 1 5 DG H1' 1 6 DT C7 5.500 4.000 7.500 7.319 6.830 7.545 0.045 2 0 "[ . 1]" 2
77 1 5 DG H1' 1 7 DT C7 4.000 2.500 5.500 4.461 3.252 5.508 0.008 9 0 "[ . 1]" 2
78 1 5 DG H3' 1 6 DT C7 4.000 2.500 5.500 5.571 5.544 5.598 0.098 8 0 "[ . 1]" 2
79 1 5 DG H3' 1 7 DT C7 4.000 2.500 5.500 5.368 5.088 5.512 0.012 8 0 "[ . 1]" 2
80 1 5 DG H4' 1 6 DT C7 5.500 4.000 7.500 4.586 3.966 5.320 0.034 9 0 "[ . 1]" 2
81 1 5 DG H4' 1 7 DT C7 4.000 2.500 5.500 3.733 2.904 4.496 . 0 0 "[ . 1]" 2
82 1 4 DG H1' 1 5 DG H8 5.500 4.000 7.000 3.957 3.928 3.984 0.072 8 0 "[ . 1]" 2
83 1 4 DG H3' 1 5 DG H8 4.000 2.500 8.000 5.253 4.705 5.585 . 0 0 "[ . 1]" 2
84 1 4 DG H4' 1 5 DG H8 5.500 4.000 7.000 6.062 5.749 6.468 . 0 0 "[ . 1]" 2
85 1 5 DG H1' 1 5 DG H8 4.000 2.500 5.000 3.929 3.918 3.935 . 0 0 "[ . 1]" 2
86 1 5 DG H2'' 1 5 DG H8 2.900 . 4.000 3.821 3.741 3.948 . 0 0 "[ . 1]" 2
87 1 5 DG H2' 1 5 DG H8 4.000 2.500 5.000 2.429 2.362 2.552 0.138 8 0 "[ . 1]" 2
88 1 5 DG H3' 1 5 DG H8 4.000 2.500 5.000 4.310 3.864 4.495 . 0 0 "[ . 1]" 2
89 1 5 DG H4' 1 5 DG H8 5.500 4.000 7.000 4.931 4.568 5.092 . 0 0 "[ . 1]" 2
90 1 6 DT C7 1 6 DT H1' 5.500 4.000 7.500 5.773 5.662 5.816 . 0 0 "[ . 1]" 2
91 1 6 DT H1' 1 6 DT H2'' 2.900 . 4.000 2.193 2.110 2.324 . 0 0 "[ . 1]" 2
92 1 6 DT H1' 1 6 DT H2' 2.900 . 4.000 2.870 2.764 3.035 . 0 0 "[ . 1]" 2
93 1 6 DT H1' 1 6 DT H3' 4.000 2.500 5.000 3.993 3.805 4.097 . 0 0 "[ . 1]" 2
94 1 6 DT H1' 1 6 DT H4' 4.000 2.500 5.000 3.470 2.920 3.834 . 0 0 "[ . 1]" 2
95 1 6 DT H1' 1 7 DT C7 4.000 2.500 8.000 7.833 6.423 8.037 0.037 2 0 "[ . 1]" 2
96 1 6 DT C7 1 6 DT H4' 5.500 4.500 8.000 6.870 6.558 7.680 . 0 0 "[ . 1]" 2
97 1 6 DT H2'' 1 6 DT H4' 4.000 2.500 5.000 3.618 3.132 4.071 . 0 0 "[ . 1]" 2
98 1 6 DT H2' 1 6 DT H4' 5.500 4.000 7.000 3.982 3.883 4.079 0.117 5 0 "[ . 1]" 2
99 1 6 DT H4' 1 7 DT C7 4.000 2.500 5.500 5.256 4.838 5.516 0.016 5 0 "[ . 1]" 2
100 1 5 DG H3' 1 6 DT H6 5.500 4.000 7.000 5.132 4.716 5.497 . 0 0 "[ . 1]" 2
101 1 5 DG H4' 1 6 DT H6 5.500 4.000 7.000 4.024 3.915 4.234 0.085 3 0 "[ . 1]" 2
102 1 6 DT C7 1 6 DT H6 2.900 . 4.500 2.649 2.643 2.654 . 0 0 "[ . 1]" 2
103 1 6 DT H1' 1 6 DT H6 4.000 2.500 8.000 3.661 3.506 3.717 . 0 0 "[ . 1]" 2
104 1 6 DT H2'' 1 6 DT H6 4.000 2.500 5.000 3.540 2.475 3.918 0.025 5 0 "[ . 1]" 2
105 1 6 DT H2' 1 6 DT H6 2.900 . 4.000 2.078 1.861 2.433 . 0 0 "[ . 1]" 2
106 1 6 DT H3' 1 6 DT H6 4.000 2.500 8.000 2.854 2.404 4.215 0.096 6 0 "[ . 1]" 2
107 1 6 DT H4' 1 6 DT H6 4.000 2.500 8.000 4.442 4.159 5.291 . 0 0 "[ . 1]" 2
108 1 4 DG H1' 1 7 DT H1' 5.500 4.000 7.000 6.601 6.116 7.009 0.009 4 0 "[ . 1]" 2
109 1 7 DT H1' 1 7 DT H2'' 2.900 . 4.000 2.311 2.214 2.362 . 0 0 "[ . 1]" 2
110 1 7 DT H1' 1 7 DT H2' 2.900 . 4.000 3.026 3.018 3.032 . 0 0 "[ . 1]" 2
111 1 7 DT H1' 1 7 DT H3' 4.000 2.500 5.000 3.818 3.778 3.865 . 0 0 "[ . 1]" 2
112 1 7 DT H1' 1 7 DT H4' 4.000 2.500 5.000 3.225 2.936 3.386 . 0 0 "[ . 1]" 2
113 1 7 DT C7 1 7 DT H3' 5.500 4.000 7.500 6.730 6.567 7.066 . 0 0 "[ . 1]" 2
114 1 6 DT H3' 1 7 DT H6 4.000 2.500 8.000 2.899 2.553 3.409 . 0 0 "[ . 1]" 2
115 1 6 DT H4' 1 7 DT H6 4.000 2.500 8.000 4.976 4.144 5.292 . 0 0 "[ . 1]" 2
116 1 7 DT C7 1 7 DT H6 2.900 . 4.500 2.659 2.653 2.664 . 0 0 "[ . 1]" 2
117 1 7 DT H1' 1 7 DT H6 4.000 2.500 8.000 3.718 3.638 3.736 . 0 0 "[ . 1]" 2
118 1 7 DT H2'' 1 7 DT H6 4.000 2.500 8.000 3.748 3.412 4.230 . 0 0 "[ . 1]" 2
119 1 7 DT H2' 1 7 DT H6 2.900 . 4.000 2.363 1.974 3.010 . 0 0 "[ . 1]" 2
120 1 7 DT H3' 1 7 DT H6 4.000 2.500 5.000 4.171 3.966 4.578 . 0 0 "[ . 1]" 2
121 1 7 DT H4' 1 7 DT H6 5.000 3.500 6.500 4.453 4.093 4.776 . 0 0 "[ . 1]" 2
122 1 8 DA H1' 1 8 DA H2'' 2.900 . 4.000 2.260 2.071 2.468 . 0 0 "[ . 1]" 2
123 1 8 DA H1' 1 8 DA H2' 2.900 . 4.000 3.023 2.987 3.031 . 0 0 "[ . 1]" 2
124 1 8 DA H1' 1 8 DA H3' 4.000 2.500 5.000 3.791 3.730 3.955 . 0 0 "[ . 1]" 2
125 1 8 DA H1' 1 8 DA H4' 4.000 2.500 8.000 3.213 2.770 3.780 . 0 0 "[ . 1]" 2
126 1 8 DA H1' 1 8 DA H2 5.500 4.000 7.000 4.597 4.408 4.892 . 0 0 "[ . 1]" 2
127 1 8 DA H2' 1 8 DA H2'' 2.900 . 4.000 1.795 1.792 1.798 0.008 10 0 "[ . 1]" 2
128 1 7 DT H2' 1 8 DA H3' 5.500 4.000 7.000 4.202 3.936 5.687 0.064 7 0 "[ . 1]" 2
129 1 7 DT H2'' 1 8 DA H3' 4.000 2.500 8.000 2.795 2.480 4.063 0.020 3 0 "[ . 1]" 2
130 1 8 DA H2'' 1 8 DA H3' 2.900 . 4.000 2.873 2.632 3.015 . 0 0 "[ . 1]" 2
131 1 8 DA H2' 1 8 DA H3' 2.900 . 4.000 2.376 2.314 2.428 . 0 0 "[ . 1]" 2
132 1 8 DA H3' 1 8 DA H4' 2.900 . 4.000 2.777 2.647 2.911 . 0 0 "[ . 1]" 2
133 1 3 DG H8 1 8 DA H8 5.500 4.000 7.000 5.707 4.913 7.002 0.002 9 0 "[ . 1]" 2
134 1 6 DT H2' 1 8 DA H8 5.500 4.000 7.000 6.797 5.373 7.028 0.028 3 0 "[ . 1]" 2
135 1 6 DT H6 1 8 DA H8 4.000 2.500 8.000 6.462 5.210 7.558 . 0 0 "[ . 1]" 2
136 1 7 DT H2' 1 8 DA H8 5.500 4.000 7.000 6.336 5.363 7.140 0.140 10 0 "[ . 1]" 2
137 1 7 DT H2'' 1 8 DA H8 5.500 4.000 7.000 5.163 3.994 6.547 0.006 7 0 "[ . 1]" 2
138 1 7 DT H3' 1 8 DA H8 5.500 4.000 7.000 6.094 4.798 7.037 0.037 10 0 "[ . 1]" 2
139 1 7 DT H4' 1 8 DA H8 5.500 4.500 7.000 4.786 4.430 5.861 0.070 10 0 "[ . 1]" 2
140 1 8 DA H1' 1 8 DA H8 4.000 2.500 5.000 3.819 3.644 3.922 . 0 0 "[ . 1]" 2
141 1 8 DA H2'' 1 8 DA H8 4.000 2.500 5.000 3.308 2.787 4.064 . 0 0 "[ . 1]" 2
142 1 8 DA H3' 1 8 DA H8 4.000 2.500 5.000 4.474 4.248 4.700 . 0 0 "[ . 1]" 2
143 1 8 DA H4' 1 8 DA H8 5.500 4.000 7.000 5.202 4.888 5.572 . 0 0 "[ . 1]" 2
144 1 9 DG H1' 1 9 DG H2'' 2.900 . 4.000 2.084 2.025 2.151 . 0 0 "[ . 1]" 2
145 1 9 DG H1' 1 9 DG H2' 4.000 2.500 5.000 3.033 3.027 3.037 . 0 0 "[ . 1]" 2
146 1 9 DG H1' 1 9 DG H3' 4.000 2.500 5.000 3.803 3.773 3.841 . 0 0 "[ . 1]" 2
147 1 9 DG H1' 1 9 DG H4' 4.000 2.500 5.000 3.044 2.855 3.255 . 0 0 "[ . 1]" 2
148 1 9 DG H1' 1 10 DG H1' 5.500 4.000 7.000 5.077 4.981 5.205 . 0 0 "[ . 1]" 2
149 1 9 DG H2' 1 9 DG H2'' 2.900 . 4.000 1.801 1.800 1.803 0.000 2 0 "[ . 1]" 2
150 1 9 DG H2'' 1 9 DG H3' 2.900 . 4.000 3.070 3.050 3.092 . 0 0 "[ . 1]" 2
151 1 9 DG H2' 1 9 DG H3' 4.000 2.500 5.000 2.387 2.378 2.396 0.122 1 0 "[ . 1]" 2
152 1 9 DG H3' 1 9 DG H4' 2.900 . 4.000 2.844 2.795 2.890 . 0 0 "[ . 1]" 2
153 1 9 DG H2' 1 9 DG H4' 5.500 4.000 7.000 3.880 3.869 3.893 0.131 2 0 "[ . 1]" 2
154 1 9 DG H2'' 1 9 DG H4' 5.500 4.000 7.000 4.007 3.944 4.078 0.056 6 0 "[ . 1]" 2
155 1 9 DG H1' 1 9 DG H8 2.900 . 4.000 2.574 2.561 2.583 . 0 0 "[ . 1]" 2
156 1 9 DG H2'' 1 9 DG H8 4.000 2.500 5.000 3.571 3.352 3.850 . 0 0 "[ . 1]" 2
157 1 9 DG H2' 1 9 DG H8 5.500 4.000 7.000 4.482 4.374 4.603 . 0 0 "[ . 1]" 2
158 1 9 DG H3' 1 9 DG H8 5.500 4.000 7.000 6.083 6.031 6.133 . 0 0 "[ . 1]" 2
159 1 9 DG H4' 1 9 DG H8 5.500 4.000 7.000 5.410 5.203 5.648 . 0 0 "[ . 1]" 2
160 1 9 DG H8 1 10 DG H1' 5.500 4.000 7.000 4.051 3.951 4.554 0.049 4 0 "[ . 1]" 2
161 1 9 DG H8 1 10 DG Q2' 5.500 4.000 7.000 5.073 4.896 5.516 . 0 0 "[ . 1]" 2
162 1 9 DG H2' 1 10 DG H1' 5.500 4.000 7.000 5.917 5.570 6.431 . 0 0 "[ . 1]" 2
163 1 9 DG H2'' 1 10 DG H1' 5.500 4.000 7.000 4.472 4.213 4.886 . 0 0 "[ . 1]" 2
164 1 10 DG H1' 1 10 DG Q2' 2.900 . 4.000 2.284 2.100 2.446 . 0 0 "[ . 1]" 2
165 1 10 DG H1' 1 10 DG H3' 4.000 2.500 5.000 3.798 3.729 3.901 . 0 0 "[ . 1]" 2
166 1 10 DG H1' 1 10 DG H4' 2.900 . 4.000 2.884 2.782 2.958 . 0 0 "[ . 1]" 2
167 1 10 DG H1' 1 11 DG H4' 5.500 4.000 7.000 5.541 4.838 5.780 . 0 0 "[ . 1]" 2
168 1 10 DG Q2' 1 10 DG H3' 2.900 . 4.000 2.215 2.159 2.256 . 0 0 "[ . 1]" 2
169 1 10 DG H3' 1 10 DG H4' 2.900 . 4.000 2.881 2.836 2.945 . 0 0 "[ . 1]" 2
170 1 10 DG Q2' 1 10 DG H4' 4.000 2.500 5.000 3.434 3.363 3.472 . 0 0 "[ . 1]" 2
171 1 9 DG H1' 1 10 DG H8 5.500 4.000 7.000 4.374 4.294 4.541 . 0 0 "[ . 1]" 2
172 1 9 DG H2' 1 10 DG H8 4.000 2.500 5.000 2.934 2.654 3.562 . 0 0 "[ . 1]" 2
173 1 9 DG H2'' 1 10 DG H8 4.000 2.500 5.000 2.513 2.464 2.636 0.036 3 0 "[ . 1]" 2
174 1 9 DG H3' 1 10 DG H8 4.000 2.500 8.000 4.730 4.353 5.301 . 0 0 "[ . 1]" 2
175 1 9 DG H8 1 10 DG H8 5.500 4.000 7.000 4.711 4.533 5.164 . 0 0 "[ . 1]" 2
176 1 10 DG H1' 1 10 DG H8 5.500 4.000 7.000 3.932 3.923 3.937 0.077 1 0 "[ . 1]" 2
177 1 10 DG Q2' 1 10 DG H8 2.900 . 4.000 2.360 2.258 2.528 . 0 0 "[ . 1]" 2
178 1 10 DG H3' 1 10 DG H8 5.500 4.000 7.000 4.357 3.998 4.544 0.002 5 0 "[ . 1]" 2
179 1 10 DG H4' 1 10 DG H8 5.500 4.000 7.000 5.074 4.904 5.193 . 0 0 "[ . 1]" 2
180 1 10 DG H8 1 11 DG H8 5.500 4.000 7.000 5.252 4.585 5.512 . 0 0 "[ . 1]" 2
181 1 10 DG H1' 1 11 DG H1' 5.500 4.000 7.000 5.254 4.801 5.590 . 0 0 "[ . 1]" 2
182 1 11 DG H1' 1 11 DG H2'' 2.900 . 4.000 2.273 1.849 2.474 . 0 0 "[ . 1]" 2
183 1 11 DG H1' 1 11 DG H2' 2.900 . 4.000 2.990 2.917 3.026 . 0 0 "[ . 1]" 2
184 1 11 DG H1' 1 11 DG H3' 2.900 . 4.000 3.894 3.808 3.953 . 0 0 "[ . 1]" 2
185 1 11 DG H1' 1 11 DG H4' 2.900 . 4.000 2.978 2.712 3.301 . 0 0 "[ . 1]" 2
186 1 11 DG H1' 1 13 DT H4' 5.500 4.000 7.000 5.614 5.164 6.309 . 0 0 "[ . 1]" 2
187 1 11 DG H1' 1 13 DT Q5' . 4.000 5.000 3.850 3.176 4.163 0.824 7 1 "[ . + 1]" 2
188 1 11 DG H2'' 1 11 DG H3' 4.000 2.500 8.000 2.884 2.686 3.218 . 0 0 "[ . 1]" 2
189 1 11 DG H2' 1 11 DG H3' 4.000 2.500 8.000 2.353 2.333 2.386 0.167 8 0 "[ . 1]" 2
190 1 11 DG H2'' 1 11 DG H4' 4.000 2.500 8.000 3.674 3.169 4.036 . 0 0 "[ . 1]" 2
191 1 11 DG H2' 1 11 DG H4' 4.000 2.500 5.000 3.877 3.837 3.932 . 0 0 "[ . 1]" 2
192 1 10 DG H1' 1 11 DG H8 4.000 2.500 5.000 3.414 2.907 3.869 . 0 0 "[ . 1]" 2
193 1 10 DG H3' 1 11 DG H8 5.500 4.000 7.000 4.593 4.072 5.069 . 0 0 "[ . 1]" 2
194 1 11 DG H1' 1 11 DG H8 4.000 2.500 5.000 3.898 3.874 3.917 . 0 0 "[ . 1]" 2
195 1 11 DG H2'' 1 11 DG H8 2.900 . 4.000 4.029 3.910 4.111 0.111 2 0 "[ . 1]" 2
196 1 11 DG H2' 1 11 DG H8 2.900 . 4.000 2.588 2.401 2.907 . 0 0 "[ . 1]" 2
197 1 11 DG H3' 1 11 DG H8 4.000 2.500 5.000 3.977 3.194 4.440 . 0 0 "[ . 1]" 2
198 1 11 DG H4' 1 11 DG H8 5.500 4.000 7.000 4.796 4.648 4.941 . 0 0 "[ . 1]" 2
199 1 11 DG H8 1 13 DT H6 5.500 4.000 7.000 5.664 5.063 6.201 . 0 0 "[ . 1]" 2
200 1 11 DG H8 1 13 DT C7 5.500 4.000 7.500 5.411 4.524 6.172 . 0 0 "[ . 1]" 2
201 1 12 DT C7 1 12 DT H1' 5.500 4.000 7.500 5.820 5.786 5.833 . 0 0 "[ . 1]" 2
202 1 12 DT H1' 1 12 DT H2'' 2.900 . 4.000 2.253 2.129 2.417 . 0 0 "[ . 1]" 2
203 1 12 DT H1' 1 12 DT H2' 4.000 2.500 5.000 3.029 3.021 3.033 . 0 0 "[ . 1]" 2
204 1 12 DT H1' 1 12 DT H3' 4.000 2.500 5.000 3.802 3.768 3.852 . 0 0 "[ . 1]" 2
205 1 12 DT H1' 1 12 DT H4' 4.000 2.500 5.000 3.046 2.829 3.211 . 0 0 "[ . 1]" 2
206 1 12 DT H1' 1 13 DT H3' 5.500 4.000 7.000 6.721 5.863 7.027 0.027 5 0 "[ . 1]" 2
207 1 12 DT H1' 1 13 DT C7 5.500 4.000 7.500 5.479 4.652 7.530 0.030 8 0 "[ . 1]" 2
208 1 12 DT H2' 1 12 DT H2'' 2.900 . 4.000 1.795 1.793 1.796 0.007 2 0 "[ . 1]" 2
209 1 12 DT H2'' 1 13 DT C7 5.500 4.000 7.500 6.784 6.086 7.508 0.008 8 0 "[ . 1]" 2
210 1 12 DT H2'' 1 12 DT H3' 4.000 2.500 5.000 2.917 2.724 3.017 . 0 0 "[ . 1]" 2
211 1 12 DT H3' 1 12 DT H4' 4.000 2.500 8.000 2.832 2.783 2.921 . 0 0 "[ . 1]" 2
212 1 12 DT H3' 1 13 DT Q5' . 4.000 5.000 4.293 3.473 4.720 0.527 8 1 "[ . + 1]" 2
213 1 12 DT H2'' 1 12 DT H4' 4.000 2.500 8.000 3.993 3.778 4.092 . 0 0 "[ . 1]" 2
214 1 12 DT H2' 1 12 DT H4' 4.000 2.500 8.000 3.840 3.804 3.887 . 0 0 "[ . 1]" 2
215 1 12 DT H4' 1 13 DT C7 5.500 4.000 7.500 6.069 4.574 7.492 . 0 0 "[ . 1]" 2
216 1 12 DT C7 1 12 DT H6 2.900 . 4.500 2.661 2.658 2.663 . 0 0 "[ . 1]" 2
217 1 12 DT H1' 1 12 DT H6 4.000 2.500 8.000 3.714 3.668 3.730 . 0 0 "[ . 1]" 2
218 1 12 DT H2' 1 12 DT H6 2.900 . 4.000 2.542 2.338 2.901 . 0 0 "[ . 1]" 2
219 1 12 DT H2'' 1 12 DT H6 4.000 2.500 5.000 3.833 3.607 4.012 . 0 0 "[ . 1]" 2
220 1 12 DT H3' 1 12 DT H6 4.000 2.500 5.000 4.246 4.006 4.497 . 0 0 "[ . 1]" 2
221 1 12 DT H4' 1 12 DT H6 5.500 4.000 7.000 4.456 4.354 4.573 . 0 0 "[ . 1]" 2
222 1 11 DG H3' 1 12 DT H6 5.500 4.000 7.000 6.114 5.009 6.995 . 0 0 "[ . 1]" 2
223 1 13 DT H1' 1 13 DT H2'' 2.900 . 4.000 2.126 2.065 2.228 . 0 0 "[ . 1]" 2
224 1 13 DT H1' 1 13 DT H2' 2.900 . 4.000 3.017 3.008 3.028 . 0 0 "[ . 1]" 2
225 1 13 DT H1' 1 13 DT H4' 4.000 2.500 5.000 2.797 2.695 2.945 . 0 0 "[ . 1]" 2
226 1 13 DT H1' 1 13 DT H5'' 5.500 4.000 7.000 4.861 4.819 4.932 . 0 0 "[ . 1]" 2
227 1 13 DT H1' 1 13 DT H5' 5.500 4.000 7.000 4.538 4.458 4.607 . 0 0 "[ . 1]" 2
228 1 13 DT H1' 1 14 DA H3' 5.500 4.000 7.000 5.855 5.254 6.426 . 0 0 "[ . 1]" 2
229 1 13 DT H1' 1 14 DA H4' 5.500 4.000 7.000 4.835 4.188 5.396 . 0 0 "[ . 1]" 2
230 1 13 DT H1' 1 14 DA Q5' 2.900 2.500 4.000 2.694 2.068 3.139 0.432 10 0 "[ . 1]" 2
231 1 13 DT H2' 1 13 DT H2'' 2.900 . 4.000 1.795 1.793 1.797 0.007 10 0 "[ . 1]" 2
232 1 13 DT H2' 1 13 DT H3' 2.900 . 4.000 2.298 2.283 2.318 . 0 0 "[ . 1]" 2
233 1 13 DT H2'' 1 13 DT H3' 2.900 . 4.000 3.056 2.978 3.104 . 0 0 "[ . 1]" 2
234 1 13 DT H3' 1 13 DT H4' 2.900 . 4.000 2.950 2.907 2.983 . 0 0 "[ . 1]" 2
235 1 13 DT H3' 1 13 DT H5'' 2.900 . 4.000 2.561 2.451 2.737 . 0 0 "[ . 1]" 2
236 1 13 DT H3' 1 13 DT H5' 2.900 . 4.000 3.636 3.619 3.656 . 0 0 "[ . 1]" 2
237 1 11 DG H2' 1 13 DT H4' 5.500 4.000 7.000 7.077 7.009 7.114 0.114 9 0 "[ . 1]" 2
238 1 11 DG H2'' 1 13 DT H4' 5.500 4.000 7.000 6.062 5.869 6.342 . 0 0 "[ . 1]" 2
239 1 13 DT H2' 1 13 DT H4' 5.500 4.000 7.000 3.909 3.896 3.929 0.104 9 0 "[ . 1]" 2
240 1 13 DT H2'' 1 13 DT H4' 4.000 2.500 5.000 3.720 3.587 3.826 . 0 0 "[ . 1]" 2
241 1 13 DT H4' 1 13 DT H5'' 2.900 . 4.000 2.500 2.443 2.563 . 0 0 "[ . 1]" 2
242 1 13 DT H4' 1 13 DT H5' 2.900 . 4.000 2.403 2.347 2.449 . 0 0 "[ . 1]" 2
243 1 11 DG H2' 1 13 DT H5'' 5.500 4.000 7.000 6.593 5.985 7.041 0.041 6 0 "[ . 1]" 2
244 1 11 DG H2'' 1 13 DT H5'' 5.500 4.000 7.000 5.235 4.871 5.535 . 0 0 "[ . 1]" 2
245 1 11 DG H2'' 1 13 DT H5' 5.500 4.000 7.000 3.925 3.894 3.966 0.106 1 0 "[ . 1]" 2
246 1 11 DG H2' 1 13 DT H5' 5.500 4.000 7.000 5.173 4.790 5.424 . 0 0 "[ . 1]" 2
247 1 13 DT H2' 1 13 DT H5'' 5.500 4.000 7.000 4.435 4.289 4.653 . 0 0 "[ . 1]" 2
248 1 13 DT H2' 1 13 DT H5' 5.500 4.000 7.000 4.792 4.672 4.968 . 0 0 "[ . 1]" 2
249 1 13 DT H2'' 1 13 DT H5'' 5.500 4.000 7.000 5.071 5.003 5.129 . 0 0 "[ . 1]" 2
250 1 13 DT H2'' 1 13 DT H5' 5.500 4.000 7.000 5.401 5.374 5.434 . 0 0 "[ . 1]" 2
251 1 13 DT H5' 1 13 DT H5'' 2.900 . 4.000 1.775 1.772 1.777 0.028 6 0 "[ . 1]" 2
252 1 11 DG H2' 1 13 DT H6 5.500 4.000 7.000 5.231 4.595 5.997 . 0 0 "[ . 1]" 2
253 1 11 DG H2'' 1 13 DT H6 5.500 4.000 7.000 5.169 4.260 6.272 . 0 0 "[ . 1]" 2
254 1 12 DT H1' 1 13 DT H6 5.500 4.000 7.000 5.237 4.532 6.390 . 0 0 "[ . 1]" 2
255 1 12 DT H4' 1 13 DT H6 5.500 4.000 7.000 5.396 4.623 6.122 . 0 0 "[ . 1]" 2
256 1 13 DT C7 1 13 DT H6 2.900 . 4.500 2.660 2.657 2.663 . 0 0 "[ . 1]" 2
257 1 13 DT H1' 1 13 DT H6 4.000 2.500 5.000 3.613 3.519 3.687 . 0 0 "[ . 1]" 2
258 1 13 DT H2'' 1 13 DT H6 4.000 2.500 5.000 4.211 4.013 4.426 . 0 0 "[ . 1]" 2
259 1 13 DT H2' 1 13 DT H6 4.000 2.500 5.000 3.160 2.824 3.478 . 0 0 "[ . 1]" 2
260 1 13 DT H3' 1 13 DT H6 5.500 4.000 7.000 4.253 3.976 4.661 0.024 10 0 "[ . 1]" 2
261 1 13 DT H4' 1 13 DT H6 5.500 4.000 7.000 4.341 4.274 4.405 . 0 0 "[ . 1]" 2
262 1 13 DT H5' 1 13 DT H6 5.500 4.000 7.000 4.054 3.938 4.203 0.062 5 0 "[ . 1]" 2
263 1 13 DT H5'' 1 13 DT H6 5.500 4.000 7.000 4.827 4.612 4.993 . 0 0 "[ . 1]" 2
264 1 14 DA H1' 1 14 DA H2'' 2.900 . 4.000 2.327 2.297 2.350 . 0 0 "[ . 1]" 2
265 1 14 DA H1' 1 14 DA H2' 4.000 2.500 5.000 3.023 3.015 3.027 . 0 0 "[ . 1]" 2
266 1 14 DA H1' 1 14 DA H3' 4.000 2.500 5.000 3.837 3.804 3.875 . 0 0 "[ . 1]" 2
267 1 14 DA H1' 1 14 DA H4' 4.000 2.500 5.000 2.973 2.861 3.314 . 0 0 "[ . 1]" 2
268 1 14 DA H2' 1 14 DA H2'' 2.900 . 4.000 1.792 1.790 1.794 0.010 4 0 "[ . 1]" 2
269 1 14 DA H2 1 24 DA H1' 5.500 4.000 7.000 4.569 3.989 5.425 0.011 7 0 "[ . 1]" 2
270 1 14 DA H2 1 24 DA H2' 5.500 4.000 7.000 4.402 4.073 4.934 . 0 0 "[ . 1]" 2
271 1 14 DA H2 1 24 DA H2'' 5.500 4.000 7.000 4.080 3.988 4.381 0.012 7 0 "[ . 1]" 2
272 1 14 DA H2 1 24 DA H3' 5.500 4.000 7.000 6.399 6.153 6.899 . 0 0 "[ . 1]" 2
273 1 14 DA H2'' 1 14 DA H3' 2.900 . 4.000 2.856 2.767 2.901 . 0 0 "[ . 1]" 2
274 1 14 DA H2' 1 14 DA H3' 2.900 . 4.000 2.324 2.303 2.339 . 0 0 "[ . 1]" 2
275 1 14 DA H3' 1 14 DA H4' 2.900 . 4.000 2.869 2.783 2.913 . 0 0 "[ . 1]" 2
276 1 14 DA H3' 1 14 DA Q5' 2.900 2.500 4.000 2.525 2.427 2.620 0.073 2 0 "[ . 1]" 2
277 1 14 DA H5' 1 14 DA H5'' 2.900 . 4.000 1.778 1.777 1.779 0.023 1 0 "[ . 1]" 2
278 1 13 DT H1' 1 14 DA H8 4.000 2.500 5.000 4.365 3.602 5.007 0.007 4 0 "[ . 1]" 2
279 1 13 DT H2' 1 14 DA H8 4.000 2.500 5.000 2.721 2.479 3.158 0.021 6 0 "[ . 1]" 2
280 1 13 DT H3' 1 14 DA H8 5.500 4.000 7.000 4.118 3.968 4.575 0.032 4 0 "[ . 1]" 2
281 1 13 DT H6 1 14 DA H8 5.500 4.000 7.000 5.545 4.719 6.272 . 0 0 "[ . 1]" 2
282 1 14 DA H1' 1 14 DA H8 4.000 2.500 5.000 3.882 3.738 3.925 . 0 0 "[ . 1]" 2
283 1 14 DA H2'' 1 14 DA H8 4.000 2.500 5.000 4.092 3.878 4.632 . 0 0 "[ . 1]" 2
284 1 14 DA H2' 1 14 DA H8 4.000 2.500 8.000 2.754 2.456 3.569 0.044 4 0 "[ . 1]" 2
285 1 14 DA H3' 1 14 DA H8 5.500 4.000 7.000 4.459 4.183 4.993 . 0 0 "[ . 1]" 2
286 1 14 DA H4' 1 14 DA H8 5.500 4.000 7.000 4.826 4.581 4.983 . 0 0 "[ . 1]" 2
287 1 14 DA H5' 1 14 DA H8 5.500 4.000 7.000 4.352 3.975 4.877 0.025 1 0 "[ . 1]" 2
288 1 14 DA H5'' 1 14 DA H8 5.500 4.000 7.000 5.085 4.522 5.248 . 0 0 "[ . 1]" 2
289 1 15 DG H1' 1 15 DG H2'' 2.900 . 4.000 2.085 2.062 2.128 . 0 0 "[ . 1]" 2
290 1 15 DG H1' 1 15 DG H2' 4.000 2.500 5.000 3.027 3.026 3.031 . 0 0 "[ . 1]" 2
291 1 15 DG H1' 1 15 DG H3' 4.000 2.500 5.000 3.792 3.749 3.816 . 0 0 "[ . 1]" 2
292 1 15 DG H1' 1 15 DG H4' 4.000 2.500 5.000 2.953 2.755 3.038 . 0 0 "[ . 1]" 2
293 1 15 DG H1' 1 16 DG H3' 5.500 4.000 7.000 4.930 4.784 5.475 . 0 0 "[ . 1]" 2
294 1 15 DG H2' 1 15 DG H2'' 2.900 . 4.000 1.793 1.792 1.794 0.008 4 0 "[ . 1]" 2
295 1 15 DG H2'' 1 15 DG H3' 2.900 . 4.000 3.068 3.039 3.107 . 0 0 "[ . 1]" 2
296 1 15 DG H2' 1 15 DG H3' 2.900 . 4.000 2.339 2.316 2.363 . 0 0 "[ . 1]" 2
297 1 15 DG H3' 1 15 DG H4' 2.900 . 4.000 2.859 2.834 2.916 . 0 0 "[ . 1]" 2
298 1 13 DT H1' 1 15 DG H8 5.500 4.000 7.000 4.729 4.504 4.983 . 0 0 "[ . 1]" 2
299 1 13 DT H4' 1 15 DG H8 5.500 4.000 7.000 4.326 3.970 4.885 0.030 2 0 "[ . 1]" 2
300 1 14 DA H4' 1 15 DG H8 5.500 4.000 7.000 5.966 5.619 6.523 . 0 0 "[ . 1]" 2
301 1 14 DA H5' 1 15 DG H8 5.500 4.000 7.000 4.163 3.966 4.548 0.034 9 0 "[ . 1]" 2
302 1 14 DA H5'' 1 15 DG H8 5.500 4.000 7.000 4.206 3.969 4.657 0.031 4 0 "[ . 1]" 2
303 1 15 DG H1' 1 15 DG H8 2.900 . 4.000 2.589 2.585 2.593 . 0 0 "[ . 1]" 2
304 1 15 DG H2'' 1 15 DG H8 4.000 2.500 5.000 3.688 3.523 3.796 . 0 0 "[ . 1]" 2
305 1 15 DG H2' 1 15 DG H8 5.500 4.000 7.000 4.561 4.470 4.638 . 0 0 "[ . 1]" 2
306 1 15 DG H3' 1 15 DG H8 5.500 4.000 7.000 6.112 6.073 6.128 . 0 0 "[ . 1]" 2
307 1 15 DG H4' 1 15 DG H8 5.500 4.000 7.000 5.282 5.067 5.375 . 0 0 "[ . 1]" 2
308 1 15 DG H8 1 16 DG H3' 5.500 4.000 7.000 5.655 5.470 6.111 . 0 0 "[ . 1]" 2
309 1 16 DG H1' 1 16 DG H4' 2.900 . 4.000 2.710 2.637 3.052 . 0 0 "[ . 1]" 2
310 1 16 DG H3' 1 18 DT C7 5.500 4.000 7.500 6.155 4.509 7.548 0.048 1 0 "[ . 1]" 2
311 1 16 DG H1' 1 16 DG H8 2.900 . 4.000 2.589 2.563 2.780 . 0 0 "[ . 1]" 2
312 1 16 DG Q2' 1 16 DG H8 4.000 2.500 8.000 3.280 2.630 3.473 . 0 0 "[ . 1]" 2
313 1 16 DG H3' 1 16 DG H8 5.500 4.000 7.000 5.941 5.586 6.016 . 0 0 "[ . 1]" 2
314 1 16 DG H8 1 17 DG H4' 5.500 4.000 7.000 4.520 3.956 5.112 0.044 5 0 "[ . 1]" 2
315 1 17 DG H1' 1 17 DG H2'' 2.900 . 4.000 2.230 1.963 2.495 . 0 0 "[ . 1]" 2
316 1 17 DG H1' 1 17 DG H2' 2.900 . 4.000 3.028 3.013 3.034 . 0 0 "[ . 1]" 2
317 1 17 DG H1' 1 18 DT C7 5.500 4.000 7.500 7.376 6.959 7.578 0.078 10 0 "[ . 1]" 2
318 1 17 DG H2' 1 18 DT C7 5.500 4.000 7.500 4.720 3.968 4.987 0.032 7 0 "[ . 1]" 2
319 1 17 DG H2' 1 17 DG H2'' 2.900 . 4.000 1.793 1.792 1.794 0.008 10 0 "[ . 1]" 2
320 1 17 DG H3' 1 18 DT C7 2.900 . 4.500 4.106 3.353 4.553 0.053 7 0 "[ . 1]" 2
321 1 17 DG H4' 1 18 DT C7 5.500 4.000 7.500 6.747 5.987 7.036 . 0 0 "[ . 1]" 2
322 1 16 DG H1' 1 17 DG H8 5.500 4.000 7.000 4.556 4.307 4.771 . 0 0 "[ . 1]" 2
323 1 16 DG H3' 1 17 DG H8 5.500 4.000 7.000 4.100 3.910 4.518 0.090 5 0 "[ . 1]" 2
324 1 16 DG H8 1 17 DG H8 5.500 4.000 7.000 4.957 4.465 5.469 . 0 0 "[ . 1]" 2
325 1 17 DG H1' 1 17 DG H8 5.500 4.000 7.000 3.944 3.940 3.948 0.060 5 0 "[ . 1]" 2
326 1 17 DG H2'' 1 17 DG H8 4.000 2.500 8.000 3.660 3.267 3.832 . 0 0 "[ . 1]" 2
327 1 17 DG H2' 1 17 DG H8 4.000 2.500 8.000 2.442 2.373 2.525 0.127 5 0 "[ . 1]" 2
328 1 17 DG H3' 1 17 DG H8 5.500 4.000 7.000 4.435 4.098 4.570 . 0 0 "[ . 1]" 2
329 1 17 DG H8 1 18 DT H6 5.500 4.000 7.000 5.913 4.372 6.860 . 0 0 "[ . 1]" 2
330 1 17 DG H8 1 18 DT C7 5.500 4.000 7.500 6.123 4.869 6.884 . 0 0 "[ . 1]" 2
331 1 18 DT H1' 1 18 DT H2' 4.000 2.500 5.000 2.930 2.710 3.035 . 0 0 "[ . 1]" 2
332 1 18 DT H1' 1 19 DT C7 5.500 4.000 7.500 6.334 5.311 7.497 . 0 0 "[ . 1]" 2
333 1 18 DT H1' 1 19 DT H1' 5.500 4.000 7.000 6.161 5.457 6.944 . 0 0 "[ . 1]" 2
334 1 18 DT H1' 1 19 DT H2' 4.000 2.500 5.000 3.724 2.591 5.061 0.061 7 0 "[ . 1]" 2
335 1 18 DT H1' 1 19 DT H2'' 5.500 4.000 7.000 4.672 3.963 5.753 0.037 10 0 "[ . 1]" 2
336 1 18 DT H2' 1 18 DT H2'' 2.900 . 4.000 1.790 1.783 1.796 0.017 1 0 "[ . 1]" 2
337 1 18 DT H2' 1 18 DT H4' 2.900 . 4.000 3.893 3.807 4.041 0.041 1 0 "[ . 1]" 2
338 1 18 DT H4' 1 19 DT C7 4.000 2.500 5.500 4.792 3.585 5.522 0.022 8 0 "[ . 1]" 2
339 1 17 DG H3' 1 18 DT H6 5.500 4.000 7.000 3.939 3.867 3.993 0.133 10 0 "[ . 1]" 2
340 1 18 DT H4' 1 18 DT H6 5.500 4.000 7.000 4.815 4.149 5.418 . 0 0 "[ . 1]" 2
341 1 18 DT H1' 1 18 DT H6 4.000 2.500 8.000 3.474 2.297 3.725 0.203 3 0 "[ . 1]" 2
342 1 18 DT H2' 1 18 DT H6 2.900 . 4.000 2.363 1.773 4.069 0.069 3 0 "[ . 1]" 2
343 1 18 DT H2'' 1 18 DT H6 4.000 2.500 5.000 3.476 2.601 4.755 . 0 0 "[ . 1]" 2
344 1 18 DT H3' 1 18 DT H6 4.000 2.500 5.000 3.787 2.407 5.173 0.173 3 0 "[ . 1]" 2
345 1 19 DT H1' 1 19 DT H2'' 2.900 . 4.000 2.060 1.997 2.185 . 0 0 "[ . 1]" 2
346 1 19 DT H1' 1 19 DT H2' 2.900 . 4.000 2.897 2.745 3.027 . 0 0 "[ . 1]" 2
347 1 18 DT H1' 1 19 DT H6 5.500 4.000 7.000 4.636 3.963 5.648 0.037 10 0 "[ . 1]" 2
348 1 18 DT H2'' 1 19 DT H6 5.500 4.000 7.000 4.931 3.977 6.386 0.023 1 0 "[ . 1]" 2
349 1 18 DT H3' 1 19 DT H6 5.500 4.000 7.000 5.857 4.917 6.926 . 0 0 "[ . 1]" 2
350 1 19 DT C7 1 19 DT H6 2.900 . 4.500 2.657 2.651 2.663 . 0 0 "[ . 1]" 2
351 1 19 DT H1' 1 19 DT H6 4.000 2.500 5.000 3.576 2.984 3.721 . 0 0 "[ . 1]" 2
352 1 19 DT H2'' 1 19 DT H6 4.000 2.500 5.000 3.671 2.527 4.411 . 0 0 "[ . 1]" 2
353 1 19 DT H2' 1 19 DT H6 2.900 . 4.000 2.612 1.878 3.508 . 0 0 "[ . 1]" 2
354 1 19 DT H3' 1 19 DT H6 4.000 2.500 5.000 3.446 2.453 4.474 0.047 5 0 "[ . 1]" 2
355 1 20 DA H1' 1 20 DA H3' 4.000 2.500 5.000 3.859 3.748 3.988 . 0 0 "[ . 1]" 2
356 1 20 DA H1' 1 20 DA H2 5.500 4.000 7.000 4.884 4.457 5.948 . 0 0 "[ . 1]" 2
357 1 20 DA H2 1 20 DA Q2' 5.500 4.000 7.000 4.507 3.590 5.366 0.410 4 0 "[ . 1]" 2
358 1 18 DT H1' 1 20 DA H8 5.500 4.000 7.000 5.441 4.105 7.024 0.024 2 0 "[ . 1]" 2
359 1 18 DT H2' 1 20 DA H8 5.500 4.000 7.000 6.383 4.654 7.055 0.055 7 0 "[ . 1]" 2
360 1 19 DT H1' 1 20 DA H8 5.500 4.000 7.000 5.358 3.981 7.015 0.019 10 0 "[ . 1]" 2
361 1 19 DT H2'' 1 20 DA H8 5.500 4.000 7.000 4.597 3.969 5.757 0.031 3 0 "[ . 1]" 2
362 1 19 DT H2' 1 20 DA H8 5.500 4.000 7.000 5.368 4.525 6.337 . 0 0 "[ . 1]" 2
363 1 19 DT H3' 1 20 DA H8 4.000 2.500 5.000 4.341 2.609 5.098 0.098 8 0 "[ . 1]" 2
364 1 19 DT H6 1 20 DA H8 5.500 4.000 7.000 6.668 6.312 7.027 0.027 3 0 "[ . 1]" 2
365 1 20 DA H1' 1 20 DA H8 4.000 2.500 5.000 3.620 2.795 3.904 . 0 0 "[ . 1]" 2
366 1 20 DA Q2' 1 20 DA H8 4.000 2.500 8.000 3.428 2.741 4.299 . 0 0 "[ . 1]" 2
367 1 20 DA H3' 1 20 DA H8 4.000 2.500 5.000 4.829 4.537 5.028 0.028 6 0 "[ . 1]" 2
368 1 20 DA H4' 1 20 DA H8 5.500 4.000 7.000 4.604 4.223 5.250 . 0 0 "[ . 1]" 2
369 1 21 DG H1' 1 21 DG H2'' 2.900 . 4.000 2.129 2.093 2.186 . 0 0 "[ . 1]" 2
370 1 21 DG H1' 1 21 DG H2' 4.000 2.500 5.000 3.028 3.026 3.032 . 0 0 "[ . 1]" 2
371 1 21 DG H1' 1 21 DG H3' 4.000 2.500 5.000 3.782 3.759 3.802 . 0 0 "[ . 1]" 2
372 1 21 DG H1' 1 21 DG H4' 4.000 2.500 5.000 3.022 2.752 3.221 . 0 0 "[ . 1]" 2
373 1 21 DG H1' 1 22 DG H1' 5.500 4.000 7.000 4.623 4.333 4.971 . 0 0 "[ . 1]" 2
374 1 21 DG H2' 1 21 DG H2'' 2.900 . 4.000 1.794 1.793 1.795 0.007 3 0 "[ . 1]" 2
375 1 21 DG H2'' 1 21 DG H3' 2.900 . 4.000 3.030 2.984 3.083 . 0 0 "[ . 1]" 2
376 1 21 DG H2' 1 21 DG H3' 2.900 . 4.000 2.355 2.325 2.373 . 0 0 "[ . 1]" 2
377 1 21 DG H2' 1 21 DG H4' 4.000 2.500 5.000 3.832 3.807 3.860 . 0 0 "[ . 1]" 2
378 1 1 DT C7 1 21 DG H4' 5.500 4.000 7.500 6.110 5.131 7.524 0.024 7 0 "[ . 1]" 2
379 1 21 DG H1' 1 21 DG H8 2.900 . 4.000 2.569 2.560 2.592 . 0 0 "[ . 1]" 2
380 1 21 DG H2'' 1 21 DG H8 4.000 2.500 5.000 3.575 3.352 3.719 . 0 0 "[ . 1]" 2
381 1 21 DG H2' 1 21 DG H8 5.500 4.000 7.000 4.476 4.361 4.548 . 0 0 "[ . 1]" 2
382 1 21 DG H3' 1 21 DG H8 5.500 4.000 7.000 6.055 5.975 6.104 . 0 0 "[ . 1]" 2
383 1 21 DG H4' 1 21 DG H8 5.500 4.000 7.000 5.403 5.227 5.569 . 0 0 "[ . 1]" 2
384 1 22 DG H1' 1 22 DG H2'' 2.900 . 4.000 2.176 2.143 2.265 . 0 0 "[ . 1]" 2
385 1 21 DG H1' 1 22 DG H8 4.000 2.500 5.000 4.403 4.267 4.681 . 0 0 "[ . 1]" 2
386 1 21 DG H2' 1 22 DG H8 4.000 2.500 5.000 3.084 2.793 3.263 . 0 0 "[ . 1]" 2
387 1 21 DG H2'' 1 22 DG H8 4.000 2.500 5.000 2.551 2.473 2.708 0.027 3 0 "[ . 1]" 2
388 1 21 DG H4' 1 22 DG H8 5.500 4.000 7.000 6.452 6.213 6.638 . 0 0 "[ . 1]" 2
389 1 21 DG H8 1 22 DG H8 4.000 2.500 8.000 4.592 4.341 4.864 . 0 0 "[ . 1]" 2
390 1 22 DG H1' 1 22 DG H8 4.000 2.500 5.000 3.923 3.917 3.929 . 0 0 "[ . 1]" 2
391 1 22 DG H2' 1 22 DG H8 2.900 . 4.000 2.511 2.319 2.694 . 0 0 "[ . 1]" 2
392 1 22 DG H2'' 1 22 DG H8 2.900 . 4.000 3.742 3.558 3.934 . 0 0 "[ . 1]" 2
393 1 22 DG H3' 1 22 DG H8 4.000 2.500 5.000 4.351 4.284 4.444 . 0 0 "[ . 1]" 2
394 1 22 DG H8 1 23 DG H8 4.000 2.500 8.000 4.666 4.115 5.048 . 0 0 "[ . 1]" 2
395 1 23 DG H1' 1 23 DG H2' 2.900 . 4.000 2.996 2.977 3.020 . 0 0 "[ . 1]" 2
396 1 23 DG H1' 1 23 DG H3' 4.000 2.500 5.000 3.898 3.835 3.986 . 0 0 "[ . 1]" 2
397 1 23 DG H2'' 1 23 DG H3' 2.900 . 4.000 3.011 2.873 3.095 . 0 0 "[ . 1]" 2
398 1 23 DG H2' 1 23 DG H3' 2.900 . 4.000 2.313 2.286 2.357 . 0 0 "[ . 1]" 2
399 1 22 DG H2' 1 23 DG H8 4.000 2.500 8.000 3.691 3.382 4.107 . 0 0 "[ . 1]" 2
400 1 22 DG H2'' 1 23 DG H8 2.900 . 4.000 2.477 2.094 2.821 . 0 0 "[ . 1]" 2
401 1 22 DG H3' 1 23 DG H8 5.500 4.000 7.000 5.436 5.033 5.636 . 0 0 "[ . 1]" 2
402 1 23 DG H1' 1 23 DG H8 4.000 2.500 5.000 3.850 3.727 3.909 . 0 0 "[ . 1]" 2
403 1 23 DG H2'' 1 23 DG H8 4.000 2.500 8.000 4.318 4.088 4.569 . 0 0 "[ . 1]" 2
404 1 23 DG H2' 1 23 DG H8 2.900 . 4.000 3.096 2.702 3.548 . 0 0 "[ . 1]" 2
405 1 23 DG H3' 1 23 DG H8 5.500 4.000 7.000 4.276 3.985 5.028 0.015 7 0 "[ . 1]" 2
406 1 23 DG H4' 1 23 DG H8 4.000 2.500 8.000 4.608 4.380 4.779 . 0 0 "[ . 1]" 2
407 1 23 DG H1' 1 24 DA H1' 5.500 4.000 7.000 5.769 5.054 6.567 . 0 0 "[ . 1]" 2
408 1 24 DA H1' 1 24 DA H2'' 2.900 . 4.000 2.500 2.386 2.630 . 0 0 "[ . 1]" 2
409 1 24 DA H1' 1 24 DA H2' 2.900 . 4.000 3.033 3.025 3.037 . 0 0 "[ . 1]" 2
410 1 14 DA H2 1 24 DA H2 5.500 4.000 7.000 5.791 4.850 7.027 0.027 1 0 "[ . 1]" 2
411 1 23 DG H2'' 1 24 DA H2 5.500 4.000 7.000 6.545 6.380 6.675 . 0 0 "[ . 1]" 2
412 1 23 DG H2' 1 24 DA H2 5.500 4.000 7.000 7.013 6.864 7.050 0.050 7 0 "[ . 1]" 2
413 1 24 DA H1' 1 24 DA H2 5.500 4.000 7.000 4.507 4.465 4.586 . 0 0 "[ . 1]" 2
414 1 24 DA H2'' 1 24 DA H3' 2.900 . 4.000 2.571 2.330 2.764 . 0 0 "[ . 1]" 2
415 1 24 DA H2' 1 24 DA H3' 4.000 2.500 5.000 2.383 2.379 2.387 0.121 1 0 "[ . 1]" 2
416 1 14 DA H2 1 24 DA H8 5.500 4.000 7.000 3.985 3.969 4.026 0.031 1 0 "[ . 1]" 2
417 1 23 DG H1' 1 24 DA H8 4.000 2.500 5.000 4.752 4.503 5.016 0.016 2 0 "[ . 1]" 2
418 1 23 DG H2' 1 24 DA H8 4.000 2.500 5.000 2.619 2.452 2.921 0.048 1 0 "[ . 1]" 2
419 1 23 DG H8 1 24 DA H8 5.500 4.000 7.000 5.468 4.985 5.957 . 0 0 "[ . 1]" 2
420 1 24 DA H1' 1 24 DA H8 2.900 . 4.000 3.880 3.837 3.904 . 0 0 "[ . 1]" 2
421 1 24 DA H2'' 1 24 DA H8 2.900 . 4.000 3.553 3.220 3.716 . 0 0 "[ . 1]" 2
422 1 24 DA H2' 1 24 DA H8 2.900 . 4.000 2.169 2.106 2.232 . 0 0 "[ . 1]" 2
423 1 24 DA H3' 1 24 DA H8 4.000 2.500 5.000 4.429 4.332 4.484 . 0 0 "[ . 1]" 2
424 1 1 DT Q5' 1 21 DG H8 12.000 4.000 20.000 8.778 3.710 10.833 0.290 7 0 "[ . 1]" 2
425 1 2 DT H1' 1 3 DG H1 12.000 4.000 20.000 7.983 6.078 10.638 . 0 0 "[ . 1]" 2
426 1 2 DT H1' 1 21 DG H1' 12.000 4.000 20.000 8.685 4.465 12.151 . 0 0 "[ . 1]" 2
427 1 2 DT C7 1 21 DG H1' 12.000 4.000 20.000 8.273 5.586 11.234 . 0 0 "[ . 1]" 2
428 1 4 DG H2'' 1 6 DT H6 12.000 4.000 20.000 7.017 6.454 7.516 . 0 0 "[ . 1]" 2
429 1 11 DG H3' 1 12 DT C7 12.000 4.000 20.000 8.267 6.975 9.201 . 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 51
_Distance_constraint_stats_list.Viol_count 271
_Distance_constraint_stats_list.Viol_total 76.023
_Distance_constraint_stats_list.Viol_max 0.159
_Distance_constraint_stats_list.Viol_rms 0.0231
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0149
_Distance_constraint_stats_list.Viol_average_violations_only 0.0281
_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 3 DG 2.473 0.159 4 0 "[ . 1]"
1 4 DG 1.044 0.050 10 0 "[ . 1]"
1 5 DG 0.983 0.058 9 0 "[ . 1]"
1 9 DG 2.688 0.159 4 0 "[ . 1]"
1 10 DG 0.919 0.050 10 0 "[ . 1]"
1 11 DG 1.056 0.059 2 0 "[ . 1]"
1 13 DT 0.047 0.021 2 0 "[ . 1]"
1 15 DG 1.155 0.064 3 0 "[ . 1]"
1 16 DG 0.670 0.045 8 0 "[ . 1]"
1 17 DG 1.230 0.076 7 0 "[ . 1]"
1 21 DG 1.015 0.073 9 0 "[ . 1]"
1 22 DG 0.795 0.044 1 0 "[ . 1]"
1 23 DG 1.083 0.064 3 0 "[ . 1]"
1 24 DA 0.047 0.021 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 3 DG H21 1 21 DG N7 1.990 . 2.090 1.848 1.817 1.877 0.073 9 0 "[ . 1]" 3
2 1 3 DG N2 1 21 DG N7 2.900 2.800 3.000 2.839 2.793 2.872 0.007 8 0 "[ . 1]" 3
3 1 3 DG H1 1 21 DG O6 1.950 . 2.050 2.011 1.962 2.058 0.008 9 0 "[ . 1]" 3
4 1 3 DG N1 1 21 DG O6 2.950 2.850 3.050 2.860 2.835 2.941 0.015 10 0 "[ . 1]" 3
5 1 17 DG N7 1 21 DG H21 1.990 . 2.190 2.063 1.930 2.201 0.011 2 0 "[ . 1]" 3
6 1 17 DG N7 1 21 DG N2 2.900 2.700 3.100 3.037 2.881 3.127 0.027 2 0 "[ . 1]" 3
7 1 17 DG O6 1 21 DG H1 1.950 . 2.150 1.787 1.730 1.922 0.020 4 0 "[ . 1]" 3
8 1 17 DG O6 1 21 DG N1 2.950 2.750 3.150 2.707 2.691 2.740 0.059 3 0 "[ . 1]" 3
9 1 9 DG N7 1 17 DG H21 1.990 . 2.190 1.750 1.714 1.790 0.076 7 0 "[ . 1]" 3
10 1 9 DG N7 1 17 DG N2 2.900 2.700 3.100 2.693 2.648 2.753 0.052 3 0 "[ . 1]" 3
11 1 9 DG O6 1 17 DG H1 1.950 . 2.150 2.154 2.051 2.189 0.039 6 0 "[ . 1]" 3
12 1 9 DG O6 1 17 DG N1 2.950 2.750 3.150 3.117 3.028 3.155 0.005 6 0 "[ . 1]" 3
13 1 3 DG N7 1 9 DG H21 1.990 . 2.090 1.861 1.810 1.892 0.080 4 0 "[ . 1]" 3
14 1 3 DG N7 1 9 DG N2 2.900 2.800 3.000 2.751 2.734 2.784 0.066 10 0 "[ . 1]" 3
15 1 3 DG O6 1 9 DG H1 1.950 . 2.050 2.169 2.132 2.209 0.159 4 0 "[ . 1]" 3
16 1 3 DG O6 1 9 DG N1 2.950 2.850 3.050 2.975 2.925 3.031 . 0 0 "[ . 1]" 3
17 1 4 DG H21 1 10 DG N7 1.990 . 2.090 1.873 1.842 1.896 0.048 7 0 "[ . 1]" 3
18 1 4 DG N2 1 10 DG N7 2.900 2.800 3.000 2.799 2.772 2.852 0.028 6 0 "[ . 1]" 3
19 1 4 DG H1 1 10 DG O6 1.950 . 2.150 1.847 1.749 2.017 0.001 4 0 "[ . 1]" 3
20 1 4 DG N1 1 10 DG O6 2.950 2.750 3.150 2.735 2.700 2.801 0.050 10 0 "[ . 1]" 3
21 1 10 DG H21 1 16 DG N7 1.990 . 2.190 1.814 1.762 1.891 0.028 4 0 "[ . 1]" 3
22 1 10 DG N2 1 16 DG N7 2.900 2.700 3.100 2.747 2.683 2.830 0.017 10 0 "[ . 1]" 3
23 1 10 DG H1 1 16 DG O6 1.950 . 2.150 1.784 1.724 2.040 0.026 6 0 "[ . 1]" 3
24 1 10 DG N1 1 16 DG O6 2.950 2.750 3.150 2.765 2.705 2.951 0.045 8 0 "[ . 1]" 3
25 1 16 DG H21 1 22 DG N7 1.990 . 2.190 2.040 1.884 2.117 . 0 0 "[ . 1]" 3
26 1 16 DG N2 1 22 DG N7 2.900 2.700 3.100 3.028 2.861 3.120 0.020 1 0 "[ . 1]" 3
27 1 16 DG H1 1 22 DG O6 1.950 . 2.150 1.777 1.735 1.910 0.015 9 0 "[ . 1]" 3
28 1 16 DG N1 1 22 DG O6 2.950 2.750 3.150 2.748 2.716 2.856 0.034 5 0 "[ . 1]" 3
29 1 4 DG N7 1 22 DG H21 1.990 . 2.090 1.879 1.851 1.902 0.039 4 0 "[ . 1]" 3
30 1 4 DG N7 1 22 DG N2 2.900 2.800 3.000 2.790 2.756 2.845 0.044 1 0 "[ . 1]" 3
31 1 4 DG O6 1 22 DG H1 1.950 . 2.050 1.864 1.828 1.971 0.022 6 0 "[ . 1]" 3
32 1 4 DG O6 1 22 DG N1 2.950 2.850 3.050 2.852 2.813 2.947 0.037 5 0 "[ . 1]" 3
33 1 5 DG H21 1 11 DG N7 1.990 . 2.090 1.985 1.863 2.121 0.031 5 0 "[ . 1]" 3
34 1 5 DG N2 1 11 DG N7 2.900 2.800 3.000 2.835 2.744 2.932 0.056 7 0 "[ . 1]" 3
35 1 5 DG H1 1 11 DG O6 1.950 . 2.050 1.859 1.819 1.927 0.031 1 0 "[ . 1]" 3
36 1 5 DG N1 1 11 DG O6 2.950 2.850 3.050 2.822 2.802 2.848 0.048 4 0 "[ . 1]" 3
37 1 11 DG H21 1 15 DG N7 1.990 . 2.190 1.859 1.779 2.141 0.011 9 0 "[ . 1]" 3
38 1 11 DG N2 1 15 DG N7 2.900 2.700 3.100 2.845 2.763 3.135 0.035 2 0 "[ . 1]" 3
39 1 11 DG H1 1 15 DG O6 1.950 . 2.150 1.806 1.741 1.884 0.009 5 0 "[ . 1]" 3
40 1 11 DG N1 1 15 DG O6 2.950 2.750 3.150 2.709 2.691 2.730 0.059 2 0 "[ . 1]" 3
41 1 15 DG H21 1 23 DG N7 1.990 . 2.190 1.890 1.772 2.002 0.018 4 0 "[ . 1]" 3
42 1 15 DG N2 1 23 DG N7 2.900 2.700 3.100 2.759 2.668 2.919 0.032 1 0 "[ . 1]" 3
43 1 15 DG H1 1 23 DG O6 1.950 . 2.150 1.739 1.713 1.806 0.037 10 0 "[ . 1]" 3
44 1 15 DG N1 1 23 DG O6 2.950 2.750 3.150 2.711 2.686 2.739 0.064 3 0 "[ . 1]" 3
45 1 5 DG N7 1 23 DG H21 1.990 . 2.090 1.870 1.832 1.942 0.058 9 0 "[ . 1]" 3
46 1 5 DG N7 1 23 DG N2 2.900 2.800 3.000 2.854 2.797 2.923 0.003 7 0 "[ . 1]" 3
47 1 5 DG O6 1 23 DG H1 1.950 . 2.050 1.916 1.845 1.976 0.005 8 0 "[ . 1]" 3
48 1 5 DG O6 1 23 DG N1 2.950 2.850 3.050 2.839 2.808 2.881 0.042 5 0 "[ . 1]" 3
49 1 13 DT H3 1 24 DA N1 2.000 . 2.200 1.875 1.779 2.139 0.021 2 0 "[ . 1]" 3
50 1 13 DT O2 1 24 DA H61 2.000 . 2.200 2.113 1.907 2.201 0.001 6 0 "[ . 1]" 3
51 1 13 DT O2 1 24 DA N6 3.000 2.800 3.200 3.080 2.900 3.164 . 0 0 "[ . 1]" 3
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