NMR Restraints Grid
| |
NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
470235 |
1akx   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1akx
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 410
_Distance_constraint_stats_list.Viol_count 41
_Distance_constraint_stats_list.Viol_total 45.418
_Distance_constraint_stats_list.Viol_max 6.966
_Distance_constraint_stats_list.Viol_rms 0.6759
_Distance_constraint_stats_list.Viol_average_all_restraints 0.1108
_Distance_constraint_stats_list.Viol_average_violations_only 1.1078
_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 7.031 5.987 1 1 [+]
1 2 G 0.000 0.000 1 0 "[ ]"
1 3 C 0.932 0.932 1 1 [+]
1 4 C 0.000 0.000 . 0 "[ ]"
1 5 A 0.277 0.266 1 0 "[ ]"
1 6 G 0.011 0.011 1 0 "[ ]"
1 7 A 4.561 2.287 1 1 [+]
1 10 G 7.535 2.403 1 1 [+]
1 11 A 2.983 2.403 1 1 [+]
1 12 G 0.004 0.004 1 0 "[ ]"
1 13 C 0.042 0.042 1 0 "[ ]"
1 14 C 0.568 0.522 1 1 [+]
1 15 U 0.589 0.522 1 1 [+]
1 16 G 4.689 4.622 1 1 [+]
1 17 G 4.662 4.622 1 1 [+]
1 18 G 18.352 6.966 1 1 [+]
1 19 A 2.396 0.897 1 1 [+]
1 20 G 20.939 6.966 1 1 [+]
1 21 C 2.767 2.767 1 1 [+]
1 22 U 0.159 0.159 1 0 "[ ]"
1 23 C 1.055 1.055 1 1 [+]
1 24 U 1.080 1.055 1 1 [+]
1 25 C 0.025 0.025 1 0 "[ ]"
1 26 U 0.007 0.007 1 0 "[ ]"
1 27 G 0.007 0.007 1 0 "[ ]"
1 28 G 6.928 5.987 1 1 [+]
1 29 C 0.001 0.001 1 0 "[ ]"
1 30 C 1.149 1.041 1 1 [+]
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 G H1' 1 1 G H2' 2.400 . 3.000 2.805 2.805 2.805 . 0 0 "[ ]" 1
2 1 1 G H1' 1 1 G H3' 2.900 . 4.000 3.882 3.882 3.882 . 0 0 "[ ]" 1
3 1 1 G H2' 1 1 G H3' 2.400 . 3.000 2.394 2.394 2.394 . 0 0 "[ ]" 1
4 1 1 G H1' 1 1 G H4' 2.900 . 4.000 3.416 3.416 3.416 . 0 0 "[ ]" 1
5 1 1 G H2' 1 1 G H4' 2.900 . 4.000 3.833 3.833 3.833 . 0 0 "[ ]" 1
6 1 1 G H3' 1 1 G H4' 2.400 . 3.000 3.003 3.003 3.003 0.003 1 0 "[ ]" 1
7 1 1 G H3' 1 1 G Q5' 3.900 . 5.000 2.371 2.371 2.371 . 0 0 "[ ]" 1
8 1 1 G H4' 1 1 G Q5' 2.900 . 4.000 2.352 2.352 2.352 . 0 0 "[ ]" 1
9 1 1 G H1' 1 1 G H8 2.900 . 4.000 3.722 3.722 3.722 . 0 0 "[ ]" 1
10 1 1 G H2' 1 1 G H8 3.400 . 5.000 3.964 3.964 3.964 . 0 0 "[ ]" 1
11 1 1 G H3' 1 1 G H8 2.900 . 4.000 3.033 3.033 3.033 . 0 0 "[ ]" 1
12 1 1 G H4' 1 1 G H8 3.400 . 5.000 4.291 4.291 4.291 . 0 0 "[ ]" 1
13 1 1 G Q5' 1 1 G H8 3.900 . 5.000 2.380 2.380 2.380 . 0 0 "[ ]" 1
14 1 1 G H2' 1 2 G H1' 3.400 . 5.000 3.679 3.679 3.679 . 0 0 "[ ]" 1
15 1 2 G H1' 1 2 G H2' 2.400 . 3.000 2.765 2.765 2.765 . 0 0 "[ ]" 1
16 1 2 G H1' 1 2 G H3' 2.900 . 4.000 3.839 3.839 3.839 . 0 0 "[ ]" 1
17 1 2 G H1' 1 2 G H4' 2.900 . 4.000 3.552 3.552 3.552 . 0 0 "[ ]" 1
18 1 2 G H3' 1 2 G H4' 2.400 . 3.000 3.000 3.000 3.000 0.000 1 0 "[ ]" 1
19 1 1 G H2' 1 2 G Q5' 3.900 . 5.000 3.303 3.303 3.303 . 0 0 "[ ]" 1
20 1 2 G H1' 1 2 G Q5' 3.900 . 5.000 4.304 4.304 4.304 . 0 0 "[ ]" 1
21 1 2 G H3' 1 2 G Q5' 3.400 . 4.000 2.312 2.312 2.312 . 0 0 "[ ]" 1
22 1 2 G H4' 1 2 G Q5' 2.900 . 3.000 2.274 2.274 2.274 . 0 0 "[ ]" 1
23 1 3 C H1' 1 3 C H2' 2.400 . 3.000 2.837 2.837 2.837 . 0 0 "[ ]" 1
24 1 3 C H1' 1 3 C H3' 2.900 . 4.000 3.900 3.900 3.900 . 0 0 "[ ]" 1
25 1 3 C H2' 1 3 C H3' 2.400 . 3.000 2.387 2.387 2.387 . 0 0 "[ ]" 1
26 1 3 C H2' 1 3 C H4' 3.400 . 5.000 3.821 3.821 3.821 . 0 0 "[ ]" 1
27 1 2 G H2' 1 3 C H6 2.400 . 3.000 2.335 2.335 2.335 . 0 0 "[ ]" 1
28 1 2 G H3' 1 3 C H6 2.900 . 4.000 3.262 3.262 3.262 . 0 0 "[ ]" 1
29 1 3 C H1' 1 3 C H6 3.400 . 5.000 3.591 3.591 3.591 . 0 0 "[ ]" 1
30 1 3 C H3' 1 3 C H6 2.900 . 4.000 2.870 2.870 2.870 . 0 0 "[ ]" 1
31 1 3 C Q5' 1 3 C H6 3.900 . 5.000 3.386 3.386 3.386 . 0 0 "[ ]" 1
32 1 3 C H2' 1 4 C H1' 3.400 . 5.000 4.012 4.012 4.012 . 0 0 "[ ]" 1
33 1 4 C H1' 1 4 C H2' 2.400 . 3.000 2.766 2.766 2.766 . 0 0 "[ ]" 1
34 1 3 C H2' 1 4 C H3' 3.400 . 5.000 4.636 4.636 4.636 . 0 0 "[ ]" 1
35 1 4 C H1' 1 4 C H3' 2.900 . 4.000 3.843 3.843 3.843 . 0 0 "[ ]" 1
36 1 4 C H2' 1 4 C H3' 2.400 . 3.000 2.406 2.406 2.406 . 0 0 "[ ]" 1
37 1 4 C H1' 1 4 C H4' 2.900 . 4.000 3.549 3.549 3.549 . 0 0 "[ ]" 1
38 1 4 C H2' 1 4 C H4' 2.900 . 4.000 3.839 3.839 3.839 . 0 0 "[ ]" 1
39 1 4 C H3' 1 4 C H4' 2.400 . 3.000 2.998 2.998 2.998 . 0 0 "[ ]" 1
40 1 4 C H3' 1 4 C Q5' 3.400 . 5.000 2.382 2.382 2.382 . 0 0 "[ ]" 1
41 1 4 C H4' 1 4 C Q5' 2.900 . 4.000 2.372 2.372 2.372 . 0 0 "[ ]" 1
42 1 4 C H2' 1 5 A H1' 3.400 . 5.000 3.963 3.963 3.963 . 0 0 "[ ]" 1
43 1 5 A H1' 1 5 A H2' 2.400 . 3.000 2.806 2.806 2.806 . 0 0 "[ ]" 1
44 1 4 C H2' 1 5 A H3' 3.400 . 5.000 4.366 4.366 4.366 . 0 0 "[ ]" 1
45 1 5 A H1' 1 5 A H3' 3.400 . 5.000 3.856 3.856 3.856 . 0 0 "[ ]" 1
46 1 5 A H2' 1 5 A H3' 2.400 . 3.000 2.401 2.401 2.401 . 0 0 "[ ]" 1
47 1 5 A H1' 1 5 A H4' 2.900 . 4.000 3.368 3.368 3.368 . 0 0 "[ ]" 1
48 1 5 A H3' 1 5 A H4' 2.400 . 3.000 3.010 3.010 3.010 0.010 1 0 "[ ]" 1
49 1 4 C H2' 1 5 A Q5' 3.900 . 5.000 2.788 2.788 2.788 . 0 0 "[ ]" 1
50 1 5 A H3' 1 5 A Q5' 3.900 . 5.000 2.845 2.845 2.845 . 0 0 "[ ]" 1
51 1 5 A H4' 1 5 A Q5' 2.900 . 3.000 2.160 2.160 2.160 . 0 0 "[ ]" 1
52 1 4 C H1' 1 5 A H8 3.400 . 5.000 4.482 4.482 4.482 . 0 0 "[ ]" 1
53 1 4 C H2' 1 5 A H8 2.400 . 3.000 2.015 2.015 2.015 . 0 0 "[ ]" 1
54 1 4 C H3' 1 5 A H8 2.900 . 4.000 2.729 2.729 2.729 . 0 0 "[ ]" 1
55 1 5 A H1' 1 5 A H8 3.400 . 5.000 3.659 3.659 3.659 . 0 0 "[ ]" 1
56 1 5 A H2' 1 5 A H8 3.400 . 5.000 4.139 4.139 4.139 . 0 0 "[ ]" 1
57 1 5 A H3' 1 5 A H8 2.400 . 3.000 3.266 3.266 3.266 0.266 1 0 "[ ]" 1
58 1 5 A H4' 1 5 A H8 3.400 . 5.000 4.403 4.403 4.403 . 0 0 "[ ]" 1
59 1 5 A Q5' 1 5 A H8 3.900 . 5.000 3.566 3.566 3.566 . 0 0 "[ ]" 1
60 1 5 A H2' 1 6 G H1' 3.400 . 5.000 3.675 3.675 3.675 . 0 0 "[ ]" 1
61 1 6 G H1' 1 6 G H2' 2.400 . 3.000 2.800 2.800 2.800 . 0 0 "[ ]" 1
62 1 6 G H1' 1 6 G H3' 2.900 . 4.000 3.842 3.842 3.842 . 0 0 "[ ]" 1
63 1 6 G H2' 1 6 G H3' 2.400 . 3.000 2.411 2.411 2.411 . 0 0 "[ ]" 1
64 1 6 G H1' 1 6 G H4' 2.900 . 4.000 3.375 3.375 3.375 . 0 0 "[ ]" 1
65 1 6 G H2' 1 6 G H4' 2.900 . 4.000 3.779 3.779 3.779 . 0 0 "[ ]" 1
66 1 6 G H3' 1 6 G H4' 2.400 . 3.000 3.011 3.011 3.011 0.011 1 0 "[ ]" 1
67 1 6 G H3' 1 6 G Q5' 3.900 . 5.000 2.713 2.713 2.713 . 0 0 "[ ]" 1
68 1 5 A H1' 1 6 G H8 3.400 . 5.000 4.857 4.857 4.857 . 0 0 "[ ]" 1
69 1 5 A H2' 1 6 G H8 2.400 . 3.000 2.159 2.159 2.159 . 0 0 "[ ]" 1
70 1 5 A H3' 1 6 G H8 3.400 . 5.000 3.126 3.126 3.126 . 0 0 "[ ]" 1
71 1 5 A H8 1 6 G H8 3.400 . 6.000 5.112 5.112 5.112 . 0 0 "[ ]" 1
72 1 6 G H1' 1 6 G H8 3.400 . 5.000 3.690 3.690 3.690 . 0 0 "[ ]" 1
73 1 6 G H2' 1 6 G H8 3.400 . 5.000 4.052 4.052 4.052 . 0 0 "[ ]" 1
74 1 6 G H3' 1 6 G H8 2.900 . 4.000 3.056 3.056 3.056 . 0 0 "[ ]" 1
75 1 6 G H4' 1 6 G H8 3.400 . 5.000 4.338 4.338 4.338 . 0 0 "[ ]" 1
76 1 6 G H2' 1 7 A Q5' 2.900 . 5.000 3.789 3.789 3.789 . 0 0 "[ ]" 1
77 1 7 A H1' 1 10 G H2' 2.900 . 4.000 3.998 3.998 3.998 . 0 0 "[ ]" 1
78 1 7 A H1' 1 10 G H4' 3.400 . 5.000 7.287 7.287 7.287 2.287 1 1 [+] 1
79 1 7 A H1' 1 10 G Q5' 2.900 . 4.000 6.270 6.270 6.270 2.270 1 1 [+] 1
80 1 7 A H4' 1 10 G Q5' 3.400 . 5.000 4.728 4.728 4.728 . 0 0 "[ ]" 1
81 1 7 A H1' 1 7 A H2' 2.400 . 3.000 2.846 2.846 2.846 . 0 0 "[ ]" 1
82 1 7 A H1' 1 7 A H3' 3.400 . 5.000 3.907 3.907 3.907 . 0 0 "[ ]" 1
83 1 7 A H2' 1 7 A H3' 2.400 . 3.000 2.381 2.381 2.381 . 0 0 "[ ]" 1
84 1 7 A H3' 1 7 A Q5' 3.400 . 5.000 2.264 2.264 2.264 . 0 0 "[ ]" 1
85 1 7 A H1' 1 7 A H4' 2.400 . 4.000 3.282 3.282 3.282 . 0 0 "[ ]" 1
86 1 7 A H2' 1 7 A H4' 2.900 . 4.000 3.833 3.833 3.833 . 0 0 "[ ]" 1
87 1 7 A H3' 1 7 A H4' 2.400 . 3.000 3.005 3.005 3.005 0.005 1 0 "[ ]" 1
88 1 7 A H1' 1 7 A Q5' 3.650 . 5.000 4.362 4.362 4.362 . 0 0 "[ ]" 1
89 1 7 A H4' 1 7 A Q5' 2.650 . 3.000 2.231 2.231 2.231 . 0 0 "[ ]" 1
90 1 10 G H1' 1 10 G H2' 2.500 . 3.000 2.938 2.938 2.938 . 0 0 "[ ]" 1
91 1 10 G H1' 1 10 G H4' 2.400 . 4.000 3.127 3.127 3.127 . 0 0 "[ ]" 1
92 1 10 G H2' 1 10 G H4' 3.400 . 5.000 2.667 2.667 2.667 . 0 0 "[ ]" 1
93 1 10 G H1' 1 10 G Q5' 3.900 . 5.000 3.965 3.965 3.965 . 0 0 "[ ]" 1
94 1 10 G H2' 1 10 G Q5' 3.900 . 6.000 2.471 2.471 2.471 . 0 0 "[ ]" 1
95 1 10 G H4' 1 10 G Q5' 2.900 . 3.000 2.294 2.294 2.294 . 0 0 "[ ]" 1
96 1 10 G H2' 1 11 A H1' 3.900 . 6.000 6.576 6.576 6.576 0.576 1 1 [+] 1
97 1 11 A H1' 1 11 A H2' 2.400 . 3.000 2.762 2.762 2.762 . 0 0 "[ ]" 1
98 1 10 G H2' 1 11 A H3' 3.900 . 6.000 5.632 5.632 5.632 . 0 0 "[ ]" 1
99 1 11 A H1' 1 11 A H3' 2.900 . 4.000 3.853 3.853 3.853 . 0 0 "[ ]" 1
100 1 11 A H2' 1 11 A H3' 2.400 . 3.000 2.403 2.403 2.403 . 0 0 "[ ]" 1
101 1 11 A H1' 1 11 A H4' 2.900 . 4.000 3.545 3.545 3.545 . 0 0 "[ ]" 1
102 1 11 A H2' 1 11 A H4' 3.400 . 5.000 3.843 3.843 3.843 . 0 0 "[ ]" 1
103 1 11 A H3' 1 11 A H4' 2.400 . 3.000 2.992 2.992 2.992 . 0 0 "[ ]" 1
104 1 10 G H2' 1 11 A Q5' 4.400 . 7.000 3.045 3.045 3.045 . 0 0 "[ ]" 1
105 1 11 A H3' 1 11 A Q5' 3.900 . 5.000 2.373 2.373 2.373 . 0 0 "[ ]" 1
106 1 11 A H4' 1 11 A Q5' 2.900 . 3.000 2.349 2.349 2.349 . 0 0 "[ ]" 1
107 1 10 G H1' 1 11 A H8 3.400 . 5.000 7.403 7.403 7.403 2.403 1 1 [+] 1
108 1 10 G H2' 1 11 A H8 3.900 . 6.000 4.048 4.048 4.048 . 0 0 "[ ]" 1
109 1 11 A H1' 1 11 A H8 3.400 . 5.000 3.712 3.712 3.712 . 0 0 "[ ]" 1
110 1 11 A H2' 1 11 A H8 3.400 . 5.000 4.042 4.042 4.042 . 0 0 "[ ]" 1
111 1 11 A H3' 1 11 A H8 2.900 . 4.000 2.933 2.933 2.933 . 0 0 "[ ]" 1
112 1 11 A H4' 1 11 A H8 3.400 . 5.000 4.133 4.133 4.133 . 0 0 "[ ]" 1
113 1 11 A Q5' 1 11 A H8 3.900 . 5.000 2.060 2.060 2.060 . 0 0 "[ ]" 1
114 1 11 A H2' 1 12 G H1' 3.400 . 5.000 3.880 3.880 3.880 . 0 0 "[ ]" 1
115 1 12 G H1' 1 12 G H2' 2.400 . 3.000 2.762 2.762 2.762 . 0 0 "[ ]" 1
116 1 11 A H2' 1 12 G H3' 3.400 . 5.000 4.826 4.826 4.826 . 0 0 "[ ]" 1
117 1 12 G H1' 1 12 G H3' 3.400 . 5.000 3.842 3.842 3.842 . 0 0 "[ ]" 1
118 1 12 G H2' 1 12 G H3' 2.400 . 3.000 2.406 2.406 2.406 . 0 0 "[ ]" 1
119 1 12 G H1' 1 12 G H4' 2.900 . 4.000 3.558 3.558 3.558 . 0 0 "[ ]" 1
120 1 12 G H2' 1 12 G H4' 2.900 . 4.000 3.839 3.839 3.839 . 0 0 "[ ]" 1
121 1 12 G H3' 1 12 G H4' 2.400 . 3.000 2.997 2.997 2.997 . 0 0 "[ ]" 1
122 1 11 A H2' 1 12 G Q5' 3.900 . 5.000 3.023 3.023 3.023 . 0 0 "[ ]" 1
123 1 12 G H3' 1 12 G Q5' 3.400 . 4.000 2.372 2.372 2.372 . 0 0 "[ ]" 1
124 1 12 G H4' 1 12 G Q5' 2.900 . 3.000 2.343 2.343 2.343 . 0 0 "[ ]" 1
125 1 11 A H1' 1 12 G H8 2.900 . 5.000 5.004 5.004 5.004 0.004 1 0 "[ ]" 1
126 1 11 A H2' 1 12 G H8 2.400 . 3.000 2.842 2.842 2.842 . 0 0 "[ ]" 1
127 1 11 A H3' 1 12 G H8 2.900 . 4.000 3.557 3.557 3.557 . 0 0 "[ ]" 1
128 1 11 A H8 1 12 G H8 3.400 . 6.000 4.626 4.626 4.626 . 0 0 "[ ]" 1
129 1 12 G H1' 1 12 G H8 3.400 . 5.000 3.621 3.621 3.621 . 0 0 "[ ]" 1
130 1 12 G H2' 1 12 G H8 3.400 . 5.000 4.262 4.262 4.262 . 0 0 "[ ]" 1
131 1 12 G H3' 1 12 G H8 2.900 . 4.000 3.262 3.262 3.262 . 0 0 "[ ]" 1
132 1 12 G H4' 1 12 G H8 3.400 . 5.000 4.230 4.230 4.230 . 0 0 "[ ]" 1
133 1 12 G Q5' 1 12 G H8 3.650 . 5.000 2.262 2.262 2.262 . 0 0 "[ ]" 1
134 1 12 G H2' 1 13 C H1' 3.400 . 5.000 3.518 3.518 3.518 . 0 0 "[ ]" 1
135 1 13 C H1' 1 13 C H2' 2.400 . 3.000 2.797 2.797 2.797 . 0 0 "[ ]" 1
136 1 13 C H1' 1 13 C H3' 2.900 . 4.000 3.869 3.869 3.869 . 0 0 "[ ]" 1
137 1 13 C H2' 1 13 C H3' 2.400 . 3.000 2.397 2.397 2.397 . 0 0 "[ ]" 1
138 1 13 C H1' 1 13 C H4' 2.900 . 4.000 3.417 3.417 3.417 . 0 0 "[ ]" 1
139 1 13 C H2' 1 13 C H4' 2.900 . 4.000 3.816 3.816 3.816 . 0 0 "[ ]" 1
140 1 13 C H2' 1 14 C H1' 2.400 . 5.000 3.520 3.520 3.520 . 0 0 "[ ]" 1
141 1 13 C H2' 1 14 C H2' 2.400 . 5.000 5.042 5.042 5.042 0.042 1 0 "[ ]" 1
142 1 14 C H1' 1 14 C H2' 2.400 . 3.000 2.824 2.824 2.824 . 0 0 "[ ]" 1
143 1 14 C H1' 1 14 C H3' 3.400 . 5.000 3.885 3.885 3.885 . 0 0 "[ ]" 1
144 1 14 C H2' 1 14 C H3' 2.400 . 3.000 2.399 2.399 2.399 . 0 0 "[ ]" 1
145 1 13 C H2' 1 14 C H4' 2.900 . 5.000 4.001 4.001 4.001 . 0 0 "[ ]" 1
146 1 14 C H1' 1 14 C H4' 2.900 . 4.000 3.333 3.333 3.333 . 0 0 "[ ]" 1
147 1 14 C H2' 1 14 C H4' 3.400 . 5.000 3.812 3.812 3.812 . 0 0 "[ ]" 1
148 1 14 C H3' 1 14 C H4' 2.400 . 3.000 3.005 3.005 3.005 0.005 1 0 "[ ]" 1
149 1 14 C H3' 1 14 C Q5' 3.900 . 5.000 2.782 2.782 2.782 . 0 0 "[ ]" 1
150 1 14 C H4' 1 14 C Q5' 3.400 . 4.000 2.160 2.160 2.160 . 0 0 "[ ]" 1
151 1 13 C H1' 1 14 C H6 3.400 . 5.000 4.700 4.700 4.700 . 0 0 "[ ]" 1
152 1 13 C H2' 1 14 C H6 2.400 . 3.000 2.001 2.001 2.001 . 0 0 "[ ]" 1
153 1 14 C H1' 1 14 C H6 3.400 . 5.000 3.555 3.555 3.555 . 0 0 "[ ]" 1
154 1 14 C H3' 1 14 C H6 3.400 . 5.000 2.963 2.963 2.963 . 0 0 "[ ]" 1
155 1 14 C H4' 1 14 C H6 3.400 . 6.000 4.100 4.100 4.100 . 0 0 "[ ]" 1
156 1 15 U H1' 1 15 U H2' 2.400 . 3.000 3.068 3.068 3.068 0.068 1 0 "[ ]" 1
157 1 15 U H1' 1 15 U H3' 3.400 . 5.000 3.808 3.808 3.808 . 0 0 "[ ]" 1
158 1 15 U H1' 1 15 U H4' 2.900 . 4.000 3.235 3.235 3.235 . 0 0 "[ ]" 1
159 1 15 U H2' 1 15 U H4' 3.400 . 5.000 3.840 3.840 3.840 . 0 0 "[ ]" 1
160 1 15 U H3' 1 15 U H4' 2.400 . 3.000 2.717 2.717 2.717 . 0 0 "[ ]" 1
161 1 14 C H2' 1 15 U Q5' 3.900 . 6.000 2.944 2.944 2.944 . 0 0 "[ ]" 1
162 1 15 U H2' 1 15 U Q5' 3.900 . 6.000 3.452 3.452 3.452 . 0 0 "[ ]" 1
163 1 15 U H3' 1 15 U Q5' 3.900 . 6.000 2.323 2.323 2.323 . 0 0 "[ ]" 1
164 1 15 U H4' 1 15 U Q5' 2.900 . 4.000 2.154 2.154 2.154 . 0 0 "[ ]" 1
165 1 14 C H2' 1 15 U H6 3.400 . 5.000 2.271 2.271 2.271 . 0 0 "[ ]" 1
166 1 14 C H4' 1 15 U H6 3.400 . 5.000 5.522 5.522 5.522 0.522 1 1 [+] 1
167 1 15 U H1' 1 15 U H6 2.900 . 4.000 3.719 3.719 3.719 . 0 0 "[ ]" 1
168 1 15 U H3' 1 15 U H6 2.900 . 5.000 4.321 4.321 4.321 . 0 0 "[ ]" 1
169 1 15 U H4' 1 15 U H6 2.900 . 5.000 4.523 4.523 4.523 . 0 0 "[ ]" 1
170 1 15 U Q5' 1 15 U H6 2.900 . 5.000 3.671 3.671 3.671 . 0 0 "[ ]" 1
171 1 16 G H1' 1 16 G H2' 2.400 . 3.000 3.068 3.068 3.068 0.068 1 0 "[ ]" 1
172 1 16 G H1' 1 16 G H3' 3.400 . 5.000 3.802 3.802 3.802 . 0 0 "[ ]" 1
173 1 16 G H2' 1 16 G H3' 2.400 . 3.000 2.415 2.415 2.415 . 0 0 "[ ]" 1
174 1 16 G H1' 1 16 G H4' 2.900 . 4.000 3.219 3.219 3.219 . 0 0 "[ ]" 1
175 1 16 G H2' 1 16 G H4' 3.400 . 5.000 3.833 3.833 3.833 . 0 0 "[ ]" 1
176 1 16 G H3' 1 16 G H4' 2.400 . 3.000 2.717 2.717 2.717 . 0 0 "[ ]" 1
177 1 15 U H2' 1 16 G Q5' 3.900 . 6.000 3.618 3.618 3.618 . 0 0 "[ ]" 1
178 1 16 G H1' 1 16 G Q5' 3.900 . 6.000 4.290 4.290 4.290 . 0 0 "[ ]" 1
179 1 16 G H2' 1 16 G Q5' 3.900 . 6.000 3.286 3.286 3.286 . 0 0 "[ ]" 1
180 1 16 G H3' 1 16 G Q5' 3.400 . 5.000 2.192 2.192 2.192 . 0 0 "[ ]" 1
181 1 16 G H4' 1 16 G Q5' 2.900 . 4.000 2.132 2.132 2.132 . 0 0 "[ ]" 1
182 1 17 G H1' 1 17 G H2' 2.400 . 3.000 3.040 3.040 3.040 0.040 1 0 "[ ]" 1
183 1 17 G H1' 1 17 G H3' 3.400 . 5.000 3.963 3.963 3.963 . 0 0 "[ ]" 1
184 1 17 G H2' 1 17 G H3' 2.900 . 4.000 2.423 2.423 2.423 . 0 0 "[ ]" 1
185 1 17 G H2' 1 17 G H4' 3.400 . 5.000 3.804 3.804 3.804 . 0 0 "[ ]" 1
186 1 17 G H3' 1 17 G H4' 2.400 . 3.000 2.596 2.596 2.596 . 0 0 "[ ]" 1
187 1 17 G H1' 1 17 G Q5' 3.900 . 5.000 3.784 3.784 3.784 . 0 0 "[ ]" 1
188 1 17 G H2' 1 17 G Q5' 3.900 . 5.000 2.494 2.494 2.494 . 0 0 "[ ]" 1
189 1 17 G H3' 1 17 G Q5' 3.400 . 5.000 2.286 2.286 2.286 . 0 0 "[ ]" 1
190 1 17 G H4' 1 17 G Q5' 2.900 . 3.000 2.496 2.496 2.496 . 0 0 "[ ]" 1
191 1 16 G H1' 1 17 G H8 2.900 . 4.000 8.622 8.622 8.622 4.622 1 1 [+] 1
192 1 17 G H1' 1 17 G H8 3.400 . 5.000 3.865 3.865 3.865 . 0 0 "[ ]" 1
193 1 17 G H2' 1 17 G H8 2.900 . 4.000 2.161 2.161 2.161 . 0 0 "[ ]" 1
194 1 17 G H3' 1 17 G H8 3.400 . 5.000 4.138 4.138 4.138 . 0 0 "[ ]" 1
195 1 17 G H4' 1 17 G H8 2.900 . 5.000 4.605 4.605 4.605 . 0 0 "[ ]" 1
196 1 18 G H1' 1 18 G H2' 2.400 . 3.000 3.061 3.061 3.061 0.061 1 0 "[ ]" 1
197 1 18 G H1' 1 18 G H3' 2.900 . 4.000 3.853 3.853 3.853 . 0 0 "[ ]" 1
198 1 18 G H2' 1 18 G H3' 2.900 . 3.000 2.417 2.417 2.417 . 0 0 "[ ]" 1
199 1 18 G H1' 1 18 G H4' 2.900 . 4.000 3.371 3.371 3.371 . 0 0 "[ ]" 1
200 1 18 G H3' 1 18 G H4' 2.400 . 3.000 2.695 2.695 2.695 . 0 0 "[ ]" 1
201 1 18 G H1' 1 18 G Q5' 3.900 . 5.000 4.185 4.185 4.185 . 0 0 "[ ]" 1
202 1 18 G H3' 1 18 G Q5' 3.900 . 5.000 2.761 2.761 2.761 . 0 0 "[ ]" 1
203 1 18 G H4' 1 18 G Q5' 2.900 . 3.000 2.138 2.138 2.138 . 0 0 "[ ]" 1
204 1 18 G H1' 1 18 G H8 2.900 . 4.000 3.738 3.738 3.738 . 0 0 "[ ]" 1
205 1 18 G H2' 1 18 G H8 2.400 . 3.000 3.387 3.387 3.387 0.387 1 0 "[ ]" 1
206 1 18 G H3' 1 18 G H8 3.400 . 5.000 4.971 4.971 4.971 . 0 0 "[ ]" 1
207 1 18 G Q5' 1 18 G H8 3.900 . 6.000 3.035 3.035 3.035 . 0 0 "[ ]" 1
208 1 19 A H1' 1 19 A H2' 2.400 . 3.000 3.069 3.069 3.069 0.069 1 0 "[ ]" 1
209 1 19 A H1' 1 19 A H3' 3.400 . 5.000 3.821 3.821 3.821 . 0 0 "[ ]" 1
210 1 19 A H1' 1 19 A H4' 2.900 . 4.000 3.379 3.379 3.379 . 0 0 "[ ]" 1
211 1 19 A H2' 1 19 A H4' 2.900 . 4.000 3.809 3.809 3.809 . 0 0 "[ ]" 1
212 1 19 A H3' 1 19 A H4' 2.400 . 3.000 2.682 2.682 2.682 . 0 0 "[ ]" 1
213 1 18 G H3' 1 19 A Q5' 3.900 . 6.000 2.020 2.020 2.020 . 0 0 "[ ]" 1
214 1 19 A H1' 1 19 A Q5' 3.900 . 6.000 3.950 3.950 3.950 . 0 0 "[ ]" 1
215 1 19 A H2' 1 19 A Q5' 3.900 . 6.000 2.620 2.620 2.620 . 0 0 "[ ]" 1
216 1 19 A H3' 1 19 A Q5' 3.900 . 6.000 2.905 2.905 2.905 . 0 0 "[ ]" 1
217 1 19 A H4' 1 19 A Q5' 2.900 . 4.000 2.268 2.268 2.268 . 0 0 "[ ]" 1
218 1 18 G H3' 1 19 A H8 3.400 . 5.000 5.695 5.695 5.695 0.695 1 1 [+] 1
219 1 19 A H1' 1 19 A H8 3.400 . 5.000 3.431 3.431 3.431 . 0 0 "[ ]" 1
220 1 19 A H2' 1 19 A H8 2.900 . 5.000 2.453 2.453 2.453 . 0 0 "[ ]" 1
221 1 19 A H3' 1 19 A H8 2.900 . 5.000 4.760 4.760 4.760 . 0 0 "[ ]" 1
222 1 19 A H4' 1 19 A H8 3.400 . 5.000 5.734 5.734 5.734 0.734 1 1 [+] 1
223 1 19 A Q5' 1 19 A H8 3.900 . 5.000 4.445 4.445 4.445 . 0 0 "[ ]" 1
224 1 18 G H1' 1 20 G H1' 3.400 . 5.000 11.966 11.966 11.966 6.966 1 1 [+] 1
225 1 20 G H1' 1 20 G H2' 2.400 . 3.000 3.065 3.065 3.065 0.065 1 0 "[ ]" 1
226 1 20 G H1' 1 20 G H3' 3.400 . 5.000 3.841 3.841 3.841 . 0 0 "[ ]" 1
227 1 20 G H2' 1 20 G H3' 2.400 . 3.000 2.447 2.447 2.447 . 0 0 "[ ]" 1
228 1 20 G H1' 1 20 G H4' 3.400 . 5.000 3.515 3.515 3.515 . 0 0 "[ ]" 1
229 1 20 G H2' 1 20 G H4' 3.400 . 5.000 3.782 3.782 3.782 . 0 0 "[ ]" 1
230 1 20 G H3' 1 20 G H4' 2.400 . 3.000 2.645 2.645 2.645 . 0 0 "[ ]" 1
231 1 20 G H3' 1 20 G Q5' 3.900 . 5.000 2.323 2.323 2.323 . 0 0 "[ ]" 1
232 1 20 G H4' 1 20 G Q5' 2.900 . 3.000 2.398 2.398 2.398 . 0 0 "[ ]" 1
233 1 18 G H1' 1 20 G H8 3.400 . 6.000 9.727 9.727 9.727 3.727 1 1 [+] 1
234 1 19 A H2' 1 20 G H8 3.400 . 6.000 5.275 5.275 5.275 . 0 0 "[ ]" 1
235 1 19 A H3' 1 20 G H8 3.400 . 6.000 3.688 3.688 3.688 . 0 0 "[ ]" 1
236 1 18 G H8 1 20 G H8 3.400 . 6.000 12.516 12.516 12.516 6.516 1 1 [+] 1
237 1 19 A H8 1 20 G H8 3.400 . 6.000 6.897 6.897 6.897 0.897 1 1 [+] 1
238 1 20 G H1' 1 20 G H8 3.400 . 5.000 3.882 3.882 3.882 . 0 0 "[ ]" 1
239 1 20 G H2' 1 20 G H8 3.400 . 5.000 2.640 2.640 2.640 . 0 0 "[ ]" 1
240 1 20 G H3' 1 20 G H8 3.400 . 5.000 4.589 4.589 4.589 . 0 0 "[ ]" 1
241 1 20 G H4' 1 20 G H8 3.400 . 5.000 4.608 4.608 4.608 . 0 0 "[ ]" 1
242 1 20 G Q5' 1 20 G H8 3.900 . 5.000 2.285 2.285 2.285 . 0 0 "[ ]" 1
243 1 20 G H2' 1 21 C H1' 3.400 . 5.000 7.767 7.767 7.767 2.767 1 1 [+] 1
244 1 21 C H1' 1 21 C H2' 2.400 . 3.000 2.756 2.756 2.756 . 0 0 "[ ]" 1
245 1 21 C H1' 1 21 C H3' 2.900 . 4.000 3.827 3.827 3.827 . 0 0 "[ ]" 1
246 1 21 C H1' 1 21 C H4' 2.900 . 4.000 3.581 3.581 3.581 . 0 0 "[ ]" 1
247 1 21 C H2' 1 22 U H1' 3.400 . 5.000 3.948 3.948 3.948 . 0 0 "[ ]" 1
248 1 22 U H1' 1 22 U H2' 2.400 . 3.000 2.802 2.802 2.802 . 0 0 "[ ]" 1
249 1 22 U H1' 1 22 U H3' 3.400 . 5.000 3.856 3.856 3.856 . 0 0 "[ ]" 1
250 1 22 U H2' 1 22 U H3' 2.400 . 3.000 2.403 2.403 2.403 . 0 0 "[ ]" 1
251 1 22 U H1' 1 22 U H4' 2.900 . 4.000 3.393 3.393 3.393 . 0 0 "[ ]" 1
252 1 22 U H2' 1 22 U H4' 3.400 . 5.000 3.799 3.799 3.799 . 0 0 "[ ]" 1
253 1 22 U H3' 1 22 U Q5' 3.400 . 4.000 2.856 2.856 2.856 . 0 0 "[ ]" 1
254 1 21 C H1' 1 22 U H6 2.900 . 5.000 4.717 4.717 4.717 . 0 0 "[ ]" 1
255 1 21 C H2' 1 22 U H6 2.400 . 3.000 2.176 2.176 2.176 . 0 0 "[ ]" 1
256 1 21 C H3' 1 22 U H6 2.900 . 4.000 2.565 2.565 2.565 . 0 0 "[ ]" 1
257 1 22 U H1' 1 22 U H6 2.900 . 4.000 3.476 3.476 3.476 . 0 0 "[ ]" 1
258 1 22 U H2' 1 22 U H6 3.400 . 5.000 4.073 4.073 4.073 . 0 0 "[ ]" 1
259 1 22 U H3' 1 22 U H6 2.400 . 3.000 3.159 3.159 3.159 0.159 1 0 "[ ]" 1
260 1 22 U H4' 1 22 U H6 3.400 . 5.000 4.111 4.111 4.111 . 0 0 "[ ]" 1
261 1 21 C H2' 1 22 U H5 3.900 . 6.000 3.904 3.904 3.904 . 0 0 "[ ]" 1
262 1 21 C H3' 1 22 U H5 3.400 . 5.000 3.038 3.038 3.038 . 0 0 "[ ]" 1
263 1 22 U H1' 1 22 U H5 3.650 . 6.000 5.260 5.260 5.260 . 0 0 "[ ]" 1
264 1 22 U H2' 1 23 C H1' 3.400 . 5.000 3.958 3.958 3.958 . 0 0 "[ ]" 1
265 1 23 C H1' 1 23 C H2' 2.400 . 3.000 2.840 2.840 2.840 . 0 0 "[ ]" 1
266 1 22 U H2' 1 23 C H3' 3.400 . 5.000 4.385 4.385 4.385 . 0 0 "[ ]" 1
267 1 23 C H1' 1 23 C H3' 3.400 . 5.000 3.876 3.876 3.876 . 0 0 "[ ]" 1
268 1 23 C H2' 1 23 C H3' 2.400 . 3.000 2.395 2.395 2.395 . 0 0 "[ ]" 1
269 1 22 U H2' 1 23 C H4' 3.400 . 5.000 4.196 4.196 4.196 . 0 0 "[ ]" 1
270 1 23 C H1' 1 23 C H4' 2.900 . 4.000 3.244 3.244 3.244 . 0 0 "[ ]" 1
271 1 23 C H2' 1 23 C H4' 3.400 . 5.000 3.778 3.778 3.778 . 0 0 "[ ]" 1
272 1 23 C H3' 1 23 C H4' 2.900 . 4.000 3.013 3.013 3.013 . 0 0 "[ ]" 1
273 1 22 U H2' 1 23 C Q5' 3.900 . 5.000 3.092 3.092 3.092 . 0 0 "[ ]" 1
274 1 23 C H1' 1 23 C Q5' 3.900 . 5.000 4.329 4.329 4.329 . 0 0 "[ ]" 1
275 1 23 C H3' 1 23 C Q5' 3.900 . 5.000 2.761 2.761 2.761 . 0 0 "[ ]" 1
276 1 23 C H4' 1 23 C Q5' 3.900 . 5.000 2.158 2.158 2.158 . 0 0 "[ ]" 1
277 1 22 U H1' 1 23 C H6 3.400 . 5.000 4.840 4.840 4.840 . 0 0 "[ ]" 1
278 1 22 U H2' 1 23 C H6 2.400 . 3.000 2.169 2.169 2.169 . 0 0 "[ ]" 1
279 1 22 U H3' 1 23 C H6 3.400 . 5.000 3.303 3.303 3.303 . 0 0 "[ ]" 1
280 1 22 U H6 1 23 C H6 3.400 . 6.000 5.260 5.260 5.260 . 0 0 "[ ]" 1
281 1 23 C H1' 1 23 C H6 3.400 . 5.000 3.580 3.580 3.580 . 0 0 "[ ]" 1
282 1 23 C H2' 1 23 C H6 3.400 . 5.000 3.764 3.764 3.764 . 0 0 "[ ]" 1
283 1 23 C H3' 1 23 C H6 2.900 . 4.000 2.881 2.881 2.881 . 0 0 "[ ]" 1
284 1 23 C H4' 1 23 C H6 3.400 . 5.000 4.152 4.152 4.152 . 0 0 "[ ]" 1
285 1 23 C Q5' 1 23 C H6 3.900 . 4.000 3.538 3.538 3.538 . 0 0 "[ ]" 1
286 1 22 U H2' 1 23 C H5 3.650 . 6.000 3.759 3.759 3.759 . 0 0 "[ ]" 1
287 1 22 U H6 1 23 C H5 3.650 . 6.000 4.752 4.752 4.752 . 0 0 "[ ]" 1
288 1 22 U H5 1 23 C H5 3.650 . 6.000 4.479 4.479 4.479 . 0 0 "[ ]" 1
289 1 23 C H1' 1 23 C H5 3.650 . 6.000 5.325 5.325 5.325 . 0 0 "[ ]" 1
290 1 23 C H2' 1 24 U H1' 3.400 . 5.000 3.665 3.665 3.665 . 0 0 "[ ]" 1
291 1 23 C H3' 1 24 U H1' 3.400 . 5.000 6.055 6.055 6.055 1.055 1 1 [+] 1
292 1 24 U H1' 1 24 U H2' 2.400 . 3.000 2.760 2.760 2.760 . 0 0 "[ ]" 1
293 1 23 C H2' 1 24 U H3' 3.400 . 5.000 4.630 4.630 4.630 . 0 0 "[ ]" 1
294 1 24 U H1' 1 24 U H3' 2.900 . 4.000 3.835 3.835 3.835 . 0 0 "[ ]" 1
295 1 24 U H2' 1 24 U H3' 2.400 . 3.000 2.407 2.407 2.407 . 0 0 "[ ]" 1
296 1 24 U H1' 1 24 U H4' 2.900 . 4.000 3.545 3.545 3.545 . 0 0 "[ ]" 1
297 1 24 U H2' 1 24 U H4' 2.900 . 4.000 3.833 3.833 3.833 . 0 0 "[ ]" 1
298 1 23 C H2' 1 24 U Q5' 3.900 . 5.000 3.099 3.099 3.099 . 0 0 "[ ]" 1
299 1 24 U H3' 1 24 U Q5' 3.900 . 5.000 2.344 2.344 2.344 . 0 0 "[ ]" 1
300 1 23 C H1' 1 24 U H6 3.400 . 5.000 4.616 4.616 4.616 . 0 0 "[ ]" 1
301 1 23 C H2' 1 24 U H6 2.400 . 3.000 2.030 2.030 2.030 . 0 0 "[ ]" 1
302 1 23 C H3' 1 24 U H6 2.900 . 4.000 3.613 3.613 3.613 . 0 0 "[ ]" 1
303 1 23 C H6 1 24 U H6 3.400 . 6.000 4.873 4.873 4.873 . 0 0 "[ ]" 1
304 1 24 U H1' 1 24 U H6 3.400 . 5.000 3.458 3.458 3.458 . 0 0 "[ ]" 1
305 1 24 U H2' 1 24 U H6 3.400 . 5.000 4.164 4.164 4.164 . 0 0 "[ ]" 1
306 1 24 U H3' 1 24 U H6 2.900 . 4.000 3.156 3.156 3.156 . 0 0 "[ ]" 1
307 1 24 U H4' 1 24 U H6 3.400 . 5.000 4.002 4.002 4.002 . 0 0 "[ ]" 1
308 1 23 C H2' 1 24 U H5 3.400 . 6.000 3.857 3.857 3.857 . 0 0 "[ ]" 1
309 1 23 C H3' 1 24 U H5 3.150 . 5.000 4.445 4.445 4.445 . 0 0 "[ ]" 1
310 1 23 C H5 1 24 U H5 3.650 . 6.000 4.399 4.399 4.399 . 0 0 "[ ]" 1
311 1 23 C H6 1 24 U H5 3.650 . 6.000 4.762 4.762 4.762 . 0 0 "[ ]" 1
312 1 24 U H1' 1 24 U H5 3.650 . 6.000 5.247 5.247 5.247 . 0 0 "[ ]" 1
313 1 24 U H3' 1 24 U H5 3.650 . 6.000 4.760 4.760 4.760 . 0 0 "[ ]" 1
314 1 24 U H2' 1 25 C H1' 3.400 . 5.000 2.694 2.694 2.694 . 0 0 "[ ]" 1
315 1 25 C H1' 1 25 C H2' 2.400 . 3.000 2.813 2.813 2.813 . 0 0 "[ ]" 1
316 1 24 U H2' 1 25 C H3' 3.400 . 5.000 4.956 4.956 4.956 . 0 0 "[ ]" 1
317 1 25 C H1' 1 25 C H3' 2.900 . 4.000 3.866 3.866 3.866 . 0 0 "[ ]" 1
318 1 25 C H2' 1 25 C H3' 2.400 . 3.000 2.401 2.401 2.401 . 0 0 "[ ]" 1
319 1 24 U H1' 1 25 C H6 3.400 . 5.000 5.025 5.025 5.025 0.025 1 0 "[ ]" 1
320 1 24 U H2' 1 25 C H6 2.400 . 3.000 2.871 2.871 2.871 . 0 0 "[ ]" 1
321 1 24 U H3' 1 25 C H6 2.900 . 4.000 2.050 2.050 2.050 . 0 0 "[ ]" 1
322 1 24 U H6 1 25 C H6 3.400 . 6.000 4.216 4.216 4.216 . 0 0 "[ ]" 1
323 1 25 C H1' 1 25 C H6 3.400 . 5.000 3.390 3.390 3.390 . 0 0 "[ ]" 1
324 1 25 C H2' 1 25 C H6 3.400 . 5.000 4.205 4.205 4.205 . 0 0 "[ ]" 1
325 1 25 C H3' 1 25 C H6 2.900 . 4.000 3.475 3.475 3.475 . 0 0 "[ ]" 1
326 1 25 C H4' 1 25 C H6 3.400 . 5.000 4.218 4.218 4.218 . 0 0 "[ ]" 1
327 1 25 C Q5' 1 25 C H6 3.900 . 5.000 3.629 3.629 3.629 . 0 0 "[ ]" 1
328 1 24 U H2' 1 25 C H5 3.650 . 6.000 4.862 4.862 4.862 . 0 0 "[ ]" 1
329 1 24 U H3' 1 25 C H5 3.650 . 6.000 3.424 3.424 3.424 . 0 0 "[ ]" 1
330 1 24 U H6 1 25 C H5 3.650 . 6.000 3.958 3.958 3.958 . 0 0 "[ ]" 1
331 1 24 U H5 1 25 C H5 3.650 . 6.000 3.552 3.552 3.552 . 0 0 "[ ]" 1
332 1 26 U H1' 1 26 U H2' 2.400 . 3.000 2.834 2.834 2.834 . 0 0 "[ ]" 1
333 1 25 C H2' 1 26 U H3' 3.400 . 5.000 4.581 4.581 4.581 . 0 0 "[ ]" 1
334 1 26 U H1' 1 26 U H3' 3.400 . 5.000 3.891 3.891 3.891 . 0 0 "[ ]" 1
335 1 26 U H2' 1 26 U H3' 2.400 . 3.000 2.390 2.390 2.390 . 0 0 "[ ]" 1
336 1 26 U H1' 1 26 U H4' 2.900 . 4.000 3.293 3.293 3.293 . 0 0 "[ ]" 1
337 1 26 U H3' 1 26 U H4' 2.400 . 3.000 3.007 3.007 3.007 0.007 1 0 "[ ]" 1
338 1 25 C H2' 1 26 U Q5' 3.900 . 5.000 3.242 3.242 3.242 . 0 0 "[ ]" 1
339 1 26 U H3' 1 26 U Q5' 3.400 . 5.000 2.677 2.677 2.677 . 0 0 "[ ]" 1
340 1 25 C H1' 1 26 U H6 3.400 . 5.000 4.557 4.557 4.557 . 0 0 "[ ]" 1
341 1 25 C H2' 1 26 U H6 2.900 . 4.000 1.915 1.915 1.915 . 0 0 "[ ]" 1
342 1 26 U H1' 1 26 U H6 3.400 . 5.000 3.470 3.470 3.470 . 0 0 "[ ]" 1
343 1 26 U H2' 1 26 U H6 2.900 . 5.000 4.043 4.043 4.043 . 0 0 "[ ]" 1
344 1 26 U H3' 1 26 U H6 2.900 . 4.000 3.335 3.335 3.335 . 0 0 "[ ]" 1
345 1 25 C H2' 1 26 U H5 3.650 . 6.000 3.709 3.709 3.709 . 0 0 "[ ]" 1
346 1 25 C H3' 1 26 U H5 3.650 . 5.000 3.259 3.259 3.259 . 0 0 "[ ]" 1
347 1 25 C H5 1 26 U H5 3.650 . 6.000 4.037 4.037 4.037 . 0 0 "[ ]" 1
348 1 26 U H3' 1 26 U H5 3.650 . 6.000 5.125 5.125 5.125 . 0 0 "[ ]" 1
349 1 26 U H2' 1 27 G H1' 3.400 . 5.000 4.233 4.233 4.233 . 0 0 "[ ]" 1
350 1 27 G H1' 1 27 G H2' 2.400 . 3.000 2.820 2.820 2.820 . 0 0 "[ ]" 1
351 1 27 G H1' 1 27 G H3' 2.900 . 4.000 3.876 3.876 3.876 . 0 0 "[ ]" 1
352 1 27 G H2' 1 27 G H3' 2.400 . 3.000 2.393 2.393 2.393 . 0 0 "[ ]" 1
353 1 27 G H1' 1 27 G H4' 2.900 . 4.000 3.333 3.333 3.333 . 0 0 "[ ]" 1
354 1 27 G H2' 1 27 G H4' 2.900 . 4.000 3.803 3.803 3.803 . 0 0 "[ ]" 1
355 1 27 G H3' 1 27 G H4' 2.400 . 3.000 3.007 3.007 3.007 0.007 1 0 "[ ]" 1
356 1 27 G H3' 1 27 G Q5' 3.900 . 5.000 2.607 2.607 2.607 . 0 0 "[ ]" 1
357 1 27 G H4' 1 27 G Q5' 2.900 . 3.000 2.150 2.150 2.150 . 0 0 "[ ]" 1
358 1 27 G H2' 1 28 G H1' 2.900 . 4.000 3.956 3.956 3.956 . 0 0 "[ ]" 1
359 1 28 G H1' 1 28 G H2' 2.400 . 3.000 2.849 2.849 2.849 . 0 0 "[ ]" 1
360 1 28 G H1' 1 28 G H3' 2.900 . 4.000 3.890 3.890 3.890 . 0 0 "[ ]" 1
361 1 28 G H1' 1 28 G H4' 3.400 . 5.000 3.233 3.233 3.233 . 0 0 "[ ]" 1
362 1 28 G H3' 1 28 G H4' 2.400 . 3.000 3.009 3.009 3.009 0.009 1 0 "[ ]" 1
363 1 27 G H2' 1 28 G Q5' 3.900 . 5.000 3.199 3.199 3.199 . 0 0 "[ ]" 1
364 1 27 G H3' 1 28 G Q5' 3.900 . 5.000 4.198 4.198 4.198 . 0 0 "[ ]" 1
365 1 28 G H1' 1 28 G Q5' 3.900 . 5.000 4.338 4.338 4.338 . 0 0 "[ ]" 1
366 1 28 G H3' 1 28 G Q5' 3.400 . 4.000 2.700 2.700 2.700 . 0 0 "[ ]" 1
367 1 28 G H4' 1 28 G Q5' 2.900 . 3.000 2.153 2.153 2.153 . 0 0 "[ ]" 1
368 1 27 G H1' 1 28 G H8 3.400 . 5.000 4.582 4.582 4.582 . 0 0 "[ ]" 1
369 1 27 G H2' 1 28 G H8 2.400 . 3.000 1.961 1.961 1.961 . 0 0 "[ ]" 1
370 1 27 G H3' 1 28 G H8 2.900 . 4.000 3.219 3.219 3.219 . 0 0 "[ ]" 1
371 1 28 G H1' 1 28 G H8 2.900 . 4.000 3.698 3.698 3.698 . 0 0 "[ ]" 1
372 1 28 G H2' 1 28 G H8 3.400 . 5.000 3.963 3.963 3.963 . 0 0 "[ ]" 1
373 1 28 G H3' 1 28 G H8 2.900 . 4.000 3.236 3.236 3.236 . 0 0 "[ ]" 1
374 1 28 G H4' 1 28 G H8 3.400 . 5.000 4.440 4.440 4.440 . 0 0 "[ ]" 1
375 1 28 G Q5' 1 28 G H8 3.900 . 5.000 3.793 3.793 3.793 . 0 0 "[ ]" 1
376 1 1 G H1 1 28 G H1 2.900 . 4.000 9.987 9.987 9.987 5.987 1 1 [+] 1
377 1 3 C H42 1 28 G H1 3.900 . 6.000 5.125 5.125 5.125 . 0 0 "[ ]" 1
378 1 3 C H5 1 28 G H1 3.900 . 6.000 6.932 6.932 6.932 0.932 1 1 [+] 1
379 1 28 G H2' 1 29 C H1' 3.400 . 5.000 4.046 4.046 4.046 . 0 0 "[ ]" 1
380 1 29 C H1' 1 29 C H2' 2.400 . 3.000 2.771 2.771 2.771 . 0 0 "[ ]" 1
381 1 29 C H1' 1 29 C H3' 2.900 . 4.000 3.840 3.840 3.840 . 0 0 "[ ]" 1
382 1 29 C H2' 1 29 C H3' 2.400 . 3.000 2.407 2.407 2.407 . 0 0 "[ ]" 1
383 1 29 C H1' 1 29 C H4' 2.900 . 4.000 3.535 3.535 3.535 . 0 0 "[ ]" 1
384 1 29 C H2' 1 29 C H4' 2.900 . 4.000 3.832 3.832 3.832 . 0 0 "[ ]" 1
385 1 29 C H3' 1 29 C H4' 2.400 . 3.000 3.001 3.001 3.001 0.001 1 0 "[ ]" 1
386 1 29 C H3' 1 29 C Q5' 3.900 . 5.000 2.299 2.299 2.299 . 0 0 "[ ]" 1
387 1 29 C H4' 1 29 C Q5' 3.400 . 4.000 2.259 2.259 2.259 . 0 0 "[ ]" 1
388 1 29 C H2' 1 30 C H1' 3.400 . 5.000 3.906 3.906 3.906 . 0 0 "[ ]" 1
389 1 30 C H1' 1 30 C H2' 2.400 . 3.000 2.820 2.820 2.820 . 0 0 "[ ]" 1
390 1 29 C H2' 1 30 C H3' 3.400 . 5.000 4.621 4.621 4.621 . 0 0 "[ ]" 1
391 1 30 C H1' 1 30 C H3' 2.900 . 4.000 3.876 3.876 3.876 . 0 0 "[ ]" 1
392 1 30 C H2' 1 30 C H3' 2.400 . 3.000 2.392 2.392 2.392 . 0 0 "[ ]" 1
393 1 29 C H2' 1 30 C H4' 3.400 . 5.000 4.326 4.326 4.326 . 0 0 "[ ]" 1
394 1 30 C H1' 1 30 C H4' 2.900 . 4.000 3.343 3.343 3.343 . 0 0 "[ ]" 1
395 1 30 C H2' 1 30 C H4' 2.900 . 4.000 3.808 3.808 3.808 . 0 0 "[ ]" 1
396 1 30 C H3' 1 30 C H4' 2.400 . 3.000 3.006 3.006 3.006 0.006 1 0 "[ ]" 1
397 1 29 C H2' 1 30 C Q5' 3.900 . 5.000 3.089 3.089 3.089 . 0 0 "[ ]" 1
398 1 29 C H3' 1 30 C Q5' 3.900 . 5.000 3.889 3.889 3.889 . 0 0 "[ ]" 1
399 1 30 C H3' 1 30 C Q5' 3.900 . 5.000 2.831 2.831 2.831 . 0 0 "[ ]" 1
400 1 30 C H4' 1 30 C Q5' 3.400 . 4.000 2.160 2.160 2.160 . 0 0 "[ ]" 1
401 1 29 C H2' 1 30 C H6 2.400 . 3.000 2.132 2.132 2.132 . 0 0 "[ ]" 1
402 1 29 C H3' 1 30 C H6 2.900 . 4.000 2.839 2.839 2.839 . 0 0 "[ ]" 1
403 1 30 C H1' 1 30 C H6 3.400 . 5.000 3.541 3.541 3.541 . 0 0 "[ ]" 1
404 1 30 C H2' 1 30 C H6 3.400 . 5.000 3.904 3.904 3.904 . 0 0 "[ ]" 1
405 1 30 C H3' 1 30 C H6 2.900 . 4.000 3.005 3.005 3.005 . 0 0 "[ ]" 1
406 1 30 C H4' 1 30 C H6 2.900 . 4.000 4.103 4.103 4.103 0.103 1 0 "[ ]" 1
407 1 30 C Q5' 1 30 C H6 3.900 . 5.000 3.329 3.329 3.329 . 0 0 "[ ]" 1
408 1 1 G H1 1 30 C H5 3.900 . 6.000 7.041 7.041 7.041 1.041 1 1 [+] 1
409 1 29 C H2' 1 30 C H5 3.650 . 6.000 3.703 3.703 3.703 . 0 0 "[ ]" 1
410 1 29 C H3' 1 30 C H5 3.650 . 6.000 3.253 3.253 3.253 . 0 0 "[ ]" 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 12
_Distance_constraint_stats_list.Viol_count 12
_Distance_constraint_stats_list.Viol_total 89.124
_Distance_constraint_stats_list.Viol_max 14.695
_Distance_constraint_stats_list.Viol_rms 2.5735
_Distance_constraint_stats_list.Viol_average_all_restraints 7.4270
_Distance_constraint_stats_list.Viol_average_violations_only 7.4270
_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 12.827 6.528 1 1 [+]
1 2 G 13.369 6.794 1 1 [+]
1 3 C 8.713 8.713 1 1 [+]
1 4 C 8.644 8.644 1 1 [+]
1 5 A 5.590 5.590 1 1 [+]
1 6 G 5.510 5.510 1 1 [+]
1 10 G 14.695 14.695 1 1 [+]
1 11 A 5.954 5.954 1 1 [+]
1 12 G 6.320 6.320 1 1 [+]
1 13 C 7.501 7.501 1 1 [+]
1 20 G 7.501 7.501 1 1 [+]
1 21 C 6.320 6.320 1 1 [+]
1 22 U 5.954 5.954 1 1 [+]
1 23 C 14.695 14.695 1 1 [+]
1 24 U 5.510 5.510 1 1 [+]
1 25 C 5.590 5.590 1 1 [+]
1 26 U 8.644 8.644 1 1 [+]
1 27 G 8.713 8.713 1 1 [+]
1 28 G 13.369 6.794 1 1 [+]
1 29 C 12.827 6.528 1 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 29 C N3 1.950 . 2.150 8.678 8.678 8.678 6.528 1 1 [+] 2
2 1 1 G N1 1 29 C N3 2.950 2.750 3.150 9.449 9.449 9.449 6.299 1 1 [+] 2
3 1 2 G N3 1 28 G H1 1.950 . 2.150 8.944 8.944 8.944 6.794 1 1 [+] 2
4 1 2 G N3 1 28 G N1 2.950 2.750 3.150 9.725 9.725 9.725 6.575 1 1 [+] 2
5 1 3 C N3 1 27 G N1 2.950 2.750 3.150 11.863 11.863 11.863 8.713 1 1 [+] 2
6 1 4 C N1 1 26 U N3 2.700 2.500 2.900 11.544 11.544 11.544 8.644 1 1 [+] 2
7 1 5 A N1 1 25 C N3 2.950 2.750 3.150 8.740 8.740 8.740 5.590 1 1 [+] 2
8 1 6 G N1 1 24 U N3 2.700 2.500 2.900 8.410 8.410 8.410 5.510 1 1 [+] 2
9 1 10 G N1 1 23 C N3 2.950 2.750 3.150 17.845 17.845 17.845 14.695 1 1 [+] 2
10 1 11 A N1 1 22 U N3 2.700 2.500 2.900 8.854 8.854 8.854 5.954 1 1 [+] 2
11 1 12 G N1 1 21 C N3 2.950 2.750 3.150 9.470 9.470 9.470 6.320 1 1 [+] 2
12 1 13 C N3 1 20 G N1 2.950 2.750 3.150 10.651 10.651 10.651 7.501 1 1 [+] 2
stop_
save_
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