NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
393832 |
1qwb   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1qwb
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 538
_Distance_constraint_stats_list.Viol_count 738
_Distance_constraint_stats_list.Viol_total 2363.229
_Distance_constraint_stats_list.Viol_max 0.863
_Distance_constraint_stats_list.Viol_rms 0.0874
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0152
_Distance_constraint_stats_list.Viol_average_violations_only 0.1884
_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 11.919 0.863 16 9 "[***-. * * **.+ ]"
1 2 G 5.903 0.838 13 2 "[ - . 1 + . ]"
1 3 A 4.541 0.845 8 3 "[ * - + 1 . ]"
1 4 C 3.538 0.815 10 3 "[ -. + *. ]"
1 5 A 6.355 0.845 9 8 "[*** * +1 * *- ]"
1 6 C 7.440 0.741 13 6 "[ . **1* + .*-]"
1 7 G 7.253 0.371 9 0 "[ . 1 . ]"
1 8 A 6.206 0.688 17 4 "[ . 1* *- +]"
1 9 A 6.081 0.768 17 5 "[ . * 1* -* +]"
1 10 A 2.894 0.695 7 3 "[ . + - * ]"
1 11 U 7.262 0.845 8 3 "[ - . + 1 .* ]"
1 12 C 9.163 0.835 17 8 "[*-* . * *** +]"
1 13 C 7.524 0.817 17 5 "[ - *.* *1 . +]"
1 14 C 13.192 0.828 5 7 "[ ***+* 1 *- ]"
1 15 G 4.898 0.613 16 1 "[ . 1 .+ ]"
1 16 A 6.053 0.769 8 4 "[ . *+ * - ]"
1 17 A 1.579 0.429 7 0 "[ . 1 . ]"
1 18 G 11.462 0.713 14 7 "[- . * **** +. ]"
1 19 U 1.495 0.429 7 0 "[ . 1 . ]"
1 20 A 0.279 0.044 17 0 "[ . 1 . ]"
1 21 G 8.987 0.860 11 9 "[* * .** *+ **-]"
1 22 U 5.603 0.798 4 6 "[ * +.* 1 - *.* ]"
1 23 G 5.799 0.830 12 7 "[ - * **1*+* . ]"
1 24 U 3.963 0.720 14 3 "[ *. 1 -+. ]"
1 25 C 0.285 0.077 7 0 "[ . 1 . ]"
1 26 C 5.105 0.761 15 4 "[ . * -* + ]"
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' 3.750 2.500 5.000 2.869 2.711 3.030 . 0 0 "[ . 1 . ]" 1
2 1 1 G H2' 1 1 G H3' 3.750 2.500 5.000 2.398 2.386 2.419 0.114 11 0 "[ . 1 . ]" 1
3 1 1 G H2' 1 1 G H8 3.750 2.500 5.000 3.659 3.160 4.173 . 0 0 "[ . 1 . ]" 1
4 1 1 G H3' 1 1 G H8 3.750 2.500 5.000 3.952 2.651 5.015 0.015 16 0 "[ . 1 . ]" 1
5 1 1 G H1' 1 1 G H8 3.750 2.500 5.000 3.750 3.650 3.834 . 0 0 "[ . 1 . ]" 1
6 1 1 G Q5' 1 1 G H8 4.500 3.500 5.500 3.089 2.637 3.760 0.863 16 8 "[* *-. * * **.+ ]" 1
7 1 1 G H2' 1 1 G H4' 3.750 2.500 5.000 3.883 3.848 3.934 . 0 0 "[ . 1 . ]" 1
8 1 1 G H4' 1 1 G H8 3.750 2.500 5.000 4.368 4.181 4.659 . 0 0 "[ . 1 . ]" 1
9 1 1 G H1' 1 1 G H3' 3.750 2.500 5.000 3.882 3.839 3.923 . 0 0 "[ . 1 . ]" 1
10 1 1 G H2' 1 1 G Q5' 4.500 3.500 5.500 3.839 2.869 4.558 0.631 2 1 "[ + . 1 . ]" 1
11 1 1 G H1' 1 1 G Q5' 4.500 3.500 5.500 4.307 4.041 4.499 . 0 0 "[ . 1 . ]" 1
12 1 1 G H1' 1 1 G H4' 3.750 2.500 5.000 3.441 3.110 3.601 . 0 0 "[ . 1 . ]" 1
13 1 1 G H8 1 2 G H8 3.700 . 5.600 5.307 4.597 5.607 0.007 1 0 "[ . 1 . ]" 1
14 1 1 G H2' 1 2 G H2' 4.400 3.000 7.000 5.386 4.995 6.174 . 0 0 "[ . 1 . ]" 1
15 1 1 G H2' 1 2 G Q5' 4.500 3.500 5.500 3.777 3.217 4.913 0.283 13 0 "[ . 1 . ]" 1
16 1 2 G H2' 1 2 G H8 3.750 2.500 5.000 3.555 2.873 4.133 . 0 0 "[ . 1 . ]" 1
17 1 2 G H3' 1 2 G H8 4.400 . 7.000 3.437 2.740 4.132 . 0 0 "[ . 1 . ]" 1
18 1 2 G H4' 1 2 G H8 4.400 . 7.000 4.453 4.165 4.832 . 0 0 "[ . 1 . ]" 1
19 1 2 G H1' 1 2 G H8 3.750 2.500 5.000 3.790 3.677 3.864 . 0 0 "[ . 1 . ]" 1
20 1 2 G H1' 1 2 G H4' 3.750 2.500 5.000 3.196 2.689 3.596 . 0 0 "[ . 1 . ]" 1
21 1 2 G Q5' 1 2 G H8 4.500 3.500 5.500 3.403 2.662 4.537 0.838 13 2 "[ - . 1 + . ]" 1
22 1 2 G H1' 1 2 G H2' 3.750 2.500 5.000 2.836 2.705 2.999 . 0 0 "[ . 1 . ]" 1
23 1 2 G H1' 1 2 G Q5' 4.500 3.500 5.500 4.357 4.200 4.517 . 0 0 "[ . 1 . ]" 1
24 1 1 G H2' 1 2 G H8 2.400 . 3.000 2.376 2.201 2.825 . 0 0 "[ . 1 . ]" 1
25 1 1 G H1' 1 2 G H8 3.750 2.500 5.000 4.778 3.863 5.002 0.002 15 0 "[ . 1 . ]" 1
26 1 1 G H2' 1 2 G H1' 4.400 3.000 7.000 4.690 3.754 5.710 . 0 0 "[ . 1 . ]" 1
27 1 1 G H3' 1 2 G H8 3.750 2.500 5.000 3.728 2.941 4.465 . 0 0 "[ . 1 . ]" 1
28 1 1 G H3' 1 2 G H1' 4.400 3.000 7.000 6.473 5.955 6.913 . 0 0 "[ . 1 . ]" 1
29 1 2 G H1' 1 3 A Q5' 4.400 3.000 7.000 3.974 2.680 5.301 0.320 15 0 "[ . 1 . ]" 1
30 1 3 A H1' 1 3 A H8 3.750 2.500 5.000 3.822 3.766 3.856 . 0 0 "[ . 1 . ]" 1
31 1 3 A Q5' 1 3 A H8 4.500 3.500 5.500 3.822 2.655 4.349 0.845 8 3 "[ * - + 1 . ]" 1
32 1 3 A H1' 1 3 A Q5' 4.500 3.500 5.500 4.225 4.160 4.342 . 0 0 "[ . 1 . ]" 1
33 1 3 A H1' 1 3 A H2 4.500 3.500 5.500 4.606 4.553 4.701 . 0 0 "[ . 1 . ]" 1
34 1 3 A H4' 1 3 A H8 3.750 2.500 5.000 4.637 4.388 4.792 . 0 0 "[ . 1 . ]" 1
35 1 3 A H1' 1 3 A H3' 3.750 2.500 5.000 3.934 3.904 3.947 . 0 0 "[ . 1 . ]" 1
36 1 3 A H1' 1 3 A H4' 3.750 2.500 5.000 2.966 2.756 3.333 . 0 0 "[ . 1 . ]" 1
37 1 3 A H2 1 25 C H1' 3.750 2.500 5.000 4.237 3.421 5.004 0.004 13 0 "[ . 1 . ]" 1
38 1 3 A H2 1 4 C H1' 3.400 . 5.000 3.685 2.326 4.767 . 0 0 "[ . 1 . ]" 1
39 1 2 G H8 1 3 A H8 3.700 . 5.600 4.835 3.774 5.624 0.024 10 0 "[ . 1 . ]" 1
40 1 3 A H1' 1 4 C H5 4.400 3.000 7.000 5.633 5.123 6.345 . 0 0 "[ . 1 . ]" 1
41 1 3 A H2 1 24 U H1' 4.400 3.000 6.000 5.129 4.383 5.689 . 0 0 "[ . 1 . ]" 1
42 1 3 A H8 1 4 C H6 3.700 . 5.600 5.193 4.600 5.609 0.009 5 0 "[ . 1 . ]" 1
43 1 3 A H1' 1 4 C H1' 4.400 3.000 7.000 4.849 4.531 5.469 . 0 0 "[ . 1 . ]" 1
44 1 3 A H2 1 4 C H6 4.400 3.000 7.000 5.261 4.424 5.790 . 0 0 "[ . 1 . ]" 1
45 1 3 A H2 1 4 C H5 4.400 3.000 7.000 5.754 5.146 6.552 . 0 0 "[ . 1 . ]" 1
46 1 2 G H2' 1 3 A H8 4.400 3.000 7.000 2.957 2.930 2.988 0.070 8 0 "[ . 1 . ]" 1
47 1 3 A H3' 1 3 A H8 4.400 3.000 7.000 3.559 2.987 4.015 0.013 17 0 "[ . 1 . ]" 1
48 1 3 A H8 1 4 C H5 4.500 3.500 5.500 4.793 4.230 5.385 . 0 0 "[ . 1 . ]" 1
49 1 2 G H1' 1 3 A H8 3.750 2.500 5.000 4.763 3.067 5.050 0.050 7 0 "[ . 1 . ]" 1
50 1 2 G Q5' 1 3 A H8 4.400 3.000 7.000 5.894 4.388 6.294 . 0 0 "[ . 1 . ]" 1
51 1 3 A H1' 1 4 C H2' 4.400 . 7.000 6.972 6.849 7.026 0.026 5 0 "[ . 1 . ]" 1
52 1 4 C H1' 1 4 C H3' 4.400 . 7.000 3.926 3.888 3.959 . 0 0 "[ . 1 . ]" 1
53 1 4 C H1' 1 4 C H4' 4.400 . 7.000 3.138 2.819 3.448 . 0 0 "[ . 1 . ]" 1
54 1 4 C H5 1 4 C H6 2.400 . 3.000 2.451 2.448 2.452 . 0 0 "[ . 1 . ]" 1
55 1 4 C H3' 1 4 C H6 3.750 2.500 5.000 3.405 3.003 3.982 . 0 0 "[ . 1 . ]" 1
56 1 4 C H3' 1 4 C H5 4.400 3.000 7.000 5.306 4.760 6.064 . 0 0 "[ . 1 . ]" 1
57 1 4 C H1' 1 4 C Q5' 4.500 3.500 5.500 4.374 4.230 4.507 . 0 0 "[ . 1 . ]" 1
58 1 4 C H2' 1 4 C H6 3.750 2.500 5.000 3.692 3.060 4.028 . 0 0 "[ . 1 . ]" 1
59 1 4 C H1' 1 4 C H5 4.400 3.000 7.000 5.315 5.239 5.399 . 0 0 "[ . 1 . ]" 1
60 1 4 C H5 1 4 C Q5' 4.400 3.000 7.000 5.478 4.582 6.169 . 0 0 "[ . 1 . ]" 1
61 1 4 C H2' 1 4 C H5 4.400 3.000 7.000 5.130 4.692 5.366 . 0 0 "[ . 1 . ]" 1
62 1 4 C Q5' 1 4 C H6 4.500 3.500 5.500 3.482 2.685 4.067 0.815 10 3 "[ -. + *. ]" 1
63 1 4 C H1' 1 4 C H6 3.750 2.500 5.000 3.551 3.436 3.674 . 0 0 "[ . 1 . ]" 1
64 1 3 A H2' 1 4 C H1' 4.400 3.000 7.000 4.787 3.646 5.412 . 0 0 "[ . 1 . ]" 1
65 1 3 A H2' 1 4 C H5 4.400 3.000 7.000 3.369 2.996 4.060 0.004 3 0 "[ . 1 . ]" 1
66 1 3 A H1' 1 4 C H6 3.400 . 5.000 4.382 3.965 4.905 . 0 0 "[ . 1 . ]" 1
67 1 3 A H3' 1 4 C H5 4.400 3.000 7.000 4.955 3.935 5.922 . 0 0 "[ . 1 . ]" 1
68 1 3 A H3' 1 4 C H1' 4.400 3.000 7.000 6.773 5.946 7.013 0.013 14 0 "[ . 1 . ]" 1
69 1 3 A H3' 1 4 C H6 3.400 . 6.000 4.134 3.418 4.676 . 0 0 "[ . 1 . ]" 1
70 1 3 A H2' 1 4 C H6 2.400 . 3.000 2.321 2.181 2.820 . 0 0 "[ . 1 . ]" 1
71 1 5 A H1' 1 5 A H3' 4.400 . 7.000 3.914 3.897 3.955 . 0 0 "[ . 1 . ]" 1
72 1 5 A H1' 1 5 A Q5' 4.400 3.500 5.500 4.378 4.165 4.485 . 0 0 "[ . 1 . ]" 1
73 1 5 A H1' 1 5 A H4' 3.750 2.500 5.000 3.271 2.829 3.485 . 0 0 "[ . 1 . ]" 1
74 1 5 A H1' 1 5 A H2 4.500 3.500 5.500 4.794 4.698 4.914 . 0 0 "[ . 1 . ]" 1
75 1 5 A H1' 1 5 A H2' 3.750 2.500 5.000 2.806 2.746 2.971 . 0 0 "[ . 1 . ]" 1
76 1 5 A H2 1 5 A H2' 4.400 3.000 7.000 4.701 4.331 5.355 . 0 0 "[ . 1 . ]" 1
77 1 5 A H1' 1 5 A H8 3.750 2.500 5.000 3.706 3.629 3.765 . 0 0 "[ . 1 . ]" 1
78 1 5 A Q5' 1 5 A H8 4.500 3.500 5.500 3.273 2.655 3.931 0.845 9 8 "[*** * +1 * *- ]" 1
79 1 5 A H3' 1 5 A H8 4.400 . 7.000 3.506 3.113 4.255 . 0 0 "[ . 1 . ]" 1
80 1 5 A H2' 1 5 A H8 3.750 2.500 5.000 3.910 3.500 4.148 . 0 0 "[ . 1 . ]" 1
81 1 5 A H2 1 22 U H2' 4.400 3.000 7.000 5.288 4.391 6.346 . 0 0 "[ . 1 . ]" 1
82 1 5 A H2 1 23 G H1' 3.750 2.500 5.000 4.408 3.616 4.992 . 0 0 "[ . 1 . ]" 1
83 1 4 C H1' 1 5 A H8 3.750 2.500 5.000 4.881 4.522 4.998 . 0 0 "[ . 1 . ]" 1
84 1 5 A H1' 1 6 C H1' 4.400 3.000 7.000 6.698 6.289 6.995 . 0 0 "[ . 1 . ]" 1
85 1 5 A H8 1 6 C H6 3.700 . 5.600 5.530 5.099 5.619 0.019 14 0 "[ . 1 . ]" 1
86 1 5 A H8 1 6 C H5 4.500 3.500 5.500 4.443 3.964 4.864 . 0 0 "[ . 1 . ]" 1
87 1 4 C H1' 1 5 A H1' 4.400 3.000 7.000 6.169 5.419 6.915 . 0 0 "[ . 1 . ]" 1
88 1 5 A H2 1 22 U H1' 4.400 3.000 7.000 5.215 4.685 5.591 . 0 0 "[ . 1 . ]" 1
89 1 5 A H2 1 6 C H6 4.400 3.000 7.000 4.987 4.248 5.466 . 0 0 "[ . 1 . ]" 1
90 1 5 A H2 1 6 C H5 4.400 3.000 7.000 5.227 4.568 5.592 . 0 0 "[ . 1 . ]" 1
91 1 4 C H2' 1 5 A H8 2.400 . 3.000 2.282 2.191 2.681 . 0 0 "[ . 1 . ]" 1
92 1 4 C H3' 1 5 A H8 3.750 2.500 5.000 3.556 2.976 4.593 . 0 0 "[ . 1 . ]" 1
93 1 5 A H1' 1 6 C H5 4.400 3.000 7.000 5.427 5.023 5.821 . 0 0 "[ . 1 . ]" 1
94 1 4 C H2' 1 5 A H1' 3.750 2.500 5.000 4.533 4.128 5.013 0.013 16 0 "[ . 1 . ]" 1
95 1 4 C H5 1 5 A H8 3.700 . 5.600 5.366 4.313 5.615 0.015 10 0 "[ . 1 . ]" 1
96 1 5 A H1' 1 6 C Q5' 4.400 3.000 7.000 4.429 3.830 5.853 . 0 0 "[ . 1 . ]" 1
97 1 4 C H6 1 5 A H8 3.700 . 5.600 4.824 4.243 5.041 . 0 0 "[ . 1 . ]" 1
98 1 6 C H5 1 6 C H6 2.400 . 3.000 2.450 2.448 2.451 . 0 0 "[ . 1 . ]" 1
99 1 6 C H1' 1 6 C H4' 3.750 2.500 5.000 3.312 3.155 3.396 . 0 0 "[ . 1 . ]" 1
100 1 6 C H1' 1 6 C H3' 4.400 . 7.000 3.912 3.902 3.942 . 0 0 "[ . 1 . ]" 1
101 1 6 C H1' 1 6 C Q5' 4.400 3.500 5.500 4.319 4.240 4.439 . 0 0 "[ . 1 . ]" 1
102 1 6 C H2' 1 6 C H6 3.750 2.500 5.000 3.406 3.241 3.647 . 0 0 "[ . 1 . ]" 1
103 1 6 C H1' 1 6 C H6 3.750 2.500 5.000 3.669 3.596 3.704 . 0 0 "[ . 1 . ]" 1
104 1 6 C H1' 1 6 C H5 4.400 3.000 7.000 5.393 5.342 5.416 . 0 0 "[ . 1 . ]" 1
105 1 6 C H4' 1 6 C H6 4.500 3.500 5.500 4.063 3.987 4.199 . 0 0 "[ . 1 . ]" 1
106 1 6 C H1' 1 6 C H2' 3.750 2.500 5.000 2.790 2.765 2.843 . 0 0 "[ . 1 . ]" 1
107 1 6 C Q5' 1 6 C H6 4.500 3.500 5.500 3.073 2.759 3.383 0.741 13 6 "[ . **1* + .*-]" 1
108 1 5 A H3' 1 6 C H6 3.750 2.500 5.000 3.574 3.197 4.198 . 0 0 "[ . 1 . ]" 1
109 1 5 A H2' 1 6 C H6 2.400 . 3.000 2.242 2.196 2.403 . 0 0 "[ . 1 . ]" 1
110 1 6 C H1' 1 7 G Q5' 4.400 3.000 7.000 5.038 4.293 5.617 . 0 0 "[ . 1 . ]" 1
111 1 6 C H1' 1 7 G H2' 4.400 3.000 7.000 6.947 6.668 7.021 0.021 11 0 "[ . 1 . ]" 1
112 1 5 A H2' 1 6 C H1' 4.500 3.500 5.500 4.999 4.667 5.352 . 0 0 "[ . 1 . ]" 1
113 1 5 A H1' 1 6 C H6 3.750 2.500 5.000 4.914 4.765 5.000 0.000 16 0 "[ . 1 . ]" 1
114 1 7 G H1' 1 7 G H2' 3.400 . 5.000 2.723 2.707 2.747 . 0 0 "[ . 1 . ]" 1
115 1 7 G H3' 1 7 G H8 2.100 . 3.200 3.196 3.057 3.230 0.030 8 0 "[ . 1 . ]" 1
116 1 7 G H2' 1 7 G H3' 3.750 2.500 5.000 2.391 2.385 2.395 0.115 15 0 "[ . 1 . ]" 1
117 1 7 G H1' 1 7 G H3' 3.750 2.500 5.000 3.880 3.863 3.902 . 0 0 "[ . 1 . ]" 1
118 1 7 G H3' 1 7 G Q5' 3.750 2.500 5.000 2.248 2.129 2.513 0.371 9 0 "[ . 1 . ]" 1
119 1 7 G H4' 1 7 G H8 4.400 . 7.000 4.251 4.164 4.315 . 0 0 "[ . 1 . ]" 1
120 1 7 G Q5' 1 7 G H8 4.400 2.500 5.000 3.116 2.177 3.506 0.323 11 0 "[ . 1 . ]" 1
121 1 7 G H1' 1 7 G H4' 4.400 . 7.000 3.519 3.415 3.602 . 0 0 "[ . 1 . ]" 1
122 1 7 G H1' 1 7 G Q5' 4.400 3.500 5.500 4.468 4.163 4.519 . 0 0 "[ . 1 . ]" 1
123 1 7 G H1' 1 7 G H8 3.750 2.500 5.000 3.700 3.680 3.749 . 0 0 "[ . 1 . ]" 1
124 1 7 G H2' 1 7 G H8 3.750 2.500 5.000 4.061 3.914 4.113 . 0 0 "[ . 1 . ]" 1
125 1 6 C H1' 1 7 G H8 4.500 3.500 5.500 4.924 4.657 5.204 . 0 0 "[ . 1 . ]" 1
126 1 6 C H6 1 7 G H8 3.700 . 5.600 4.165 3.511 4.876 . 0 0 "[ . 1 . ]" 1
127 1 6 C Q5' 1 7 G H8 4.400 3.000 7.000 5.280 4.373 5.691 . 0 0 "[ . 1 . ]" 1
128 1 6 C H2' 1 7 G H8 2.900 . 4.000 2.243 2.190 2.477 . 0 0 "[ . 1 . ]" 1
129 1 6 C H3' 1 7 G H8 2.900 . 4.000 2.863 2.610 3.249 . 0 0 "[ . 1 . ]" 1
130 1 6 C H1' 1 7 G H1' 4.400 3.000 7.000 4.559 4.299 4.711 . 0 0 "[ . 1 . ]" 1
131 1 8 A H1' 1 8 A H8 2.900 . 4.000 3.515 3.433 3.581 . 0 0 "[ . 1 . ]" 1
132 1 8 A H2' 1 8 A H8 3.750 2.500 5.000 4.311 3.989 4.399 . 0 0 "[ . 1 . ]" 1
133 1 8 A H2 1 8 A H2' 4.400 3.000 7.000 3.975 3.758 4.552 . 0 0 "[ . 1 . ]" 1
134 1 8 A H1' 1 8 A H2' 3.400 . 6.000 2.767 2.716 2.950 . 0 0 "[ . 1 . ]" 1
135 1 8 A H1' 1 8 A Q5' 4.400 3.500 5.500 4.466 4.245 4.518 . 0 0 "[ . 1 . ]" 1
136 1 8 A Q5' 1 8 A H8 4.500 3.500 5.500 3.844 2.990 4.371 0.510 15 1 "[ . 1 + ]" 1
137 1 8 A H2' 1 8 A H3' 3.750 2.500 5.000 2.380 2.343 2.388 0.157 7 0 "[ . 1 . ]" 1
138 1 8 A H2' 1 9 A Q5' 4.400 3.000 7.000 3.167 2.312 4.108 0.688 17 4 "[ . 1* *- +]" 1
139 1 8 A H2 1 20 A H2 4.400 . 7.000 4.088 3.351 4.906 . 0 0 "[ . 1 . ]" 1
140 1 7 G H4' 1 8 A H1' 4.400 3.000 7.000 4.702 4.316 5.232 . 0 0 "[ . 1 . ]" 1
141 1 8 A H1' 1 8 A H4' 4.400 . 7.000 3.386 2.860 3.582 . 0 0 "[ . 1 . ]" 1
142 1 7 G H1' 1 8 A H8 6.000 5.000 7.000 5.002 4.982 5.116 0.018 16 0 "[ . 1 . ]" 1
143 1 7 G H2' 1 8 A H8 2.900 . 4.000 3.466 3.222 3.562 . 0 0 "[ . 1 . ]" 1
144 1 8 A H1' 1 9 A Q5' 4.400 3.000 7.000 5.161 4.333 6.131 . 0 0 "[ . 1 . ]" 1
145 1 8 A H2 1 9 A H1' 2.900 . 4.000 3.384 2.568 4.004 0.004 14 0 "[ . 1 . ]" 1
146 1 7 G H2' 1 8 A H1' 4.500 3.500 6.000 5.732 5.142 6.005 0.005 6 0 "[ . 1 . ]" 1
147 1 7 G H4' 1 8 A H2' 4.400 3.000 7.000 6.941 6.697 7.011 0.011 16 0 "[ . 1 . ]" 1
148 1 8 A H2' 1 9 A H4' 4.400 3.000 7.000 4.456 3.888 5.056 . 0 0 "[ . 1 . ]" 1
149 1 9 A H3' 1 9 A H8 3.750 2.500 5.000 3.583 2.911 4.312 . 0 0 "[ . 1 . ]" 1
150 1 9 A H1' 1 9 A H4' 3.750 2.500 5.000 3.192 2.893 3.427 . 0 0 "[ . 1 . ]" 1
151 1 9 A H1' 1 9 A H8 3.750 2.500 5.000 3.716 3.578 3.821 . 0 0 "[ . 1 . ]" 1
152 1 9 A Q5' 1 9 A H8 4.500 3.500 5.500 3.607 2.732 4.240 0.768 17 3 "[ . * 1 -. +]" 1
153 1 9 A H1' 1 9 A Q5' 4.500 3.500 5.500 4.319 4.211 4.492 . 0 0 "[ . 1 . ]" 1
154 1 9 A H4' 1 9 A H8 3.750 2.500 5.000 4.491 4.312 4.638 . 0 0 "[ . 1 . ]" 1
155 1 9 A H1' 1 9 A H2' 3.750 2.500 5.000 2.835 2.760 2.945 . 0 0 "[ . 1 . ]" 1
156 1 9 A H1' 1 9 A H3' 3.750 2.500 5.000 3.930 3.902 3.962 . 0 0 "[ . 1 . ]" 1
157 1 9 A H2' 1 9 A H8 3.750 2.500 5.000 3.831 3.579 4.192 . 0 0 "[ . 1 . ]" 1
158 1 8 A H2' 1 9 A H8 2.900 . 4.000 2.609 2.335 3.243 . 0 0 "[ . 1 . ]" 1
159 1 8 A H1' 1 9 A H8 4.500 3.500 5.500 5.110 4.780 5.493 . 0 0 "[ . 1 . ]" 1
160 1 8 A H2' 1 9 A H1' 4.400 3.000 7.000 4.354 3.875 4.863 . 0 0 "[ . 1 . ]" 1
161 1 8 A H8 1 9 A H8 3.700 . 5.600 5.095 4.586 5.558 . 0 0 "[ . 1 . ]" 1
162 1 9 A H2 1 16 A H2 6.000 6.000 7.000 6.568 5.996 7.014 0.014 11 0 "[ . 1 . ]" 1
163 1 8 A Q5' 1 9 A H8 4.400 3.000 7.000 4.443 3.912 5.649 . 0 0 "[ . 1 . ]" 1
164 1 8 A H3' 1 9 A H8 4.400 . 6.000 2.564 2.202 3.547 . 0 0 "[ . 1 . ]" 1
165 1 10 A H2' 1 10 A H8 3.400 . 5.000 2.937 2.351 3.319 . 0 0 "[ . 1 . ]" 1
166 1 10 A H3' 1 10 A H8 3.750 2.500 5.000 4.492 2.759 4.900 . 0 0 "[ . 1 . ]" 1
167 1 10 A H1' 1 10 A H2' 3.750 2.500 5.000 3.010 2.783 3.029 . 0 0 "[ . 1 . ]" 1
168 1 10 A H1' 1 10 A H8 3.750 2.500 5.000 3.840 3.771 3.892 . 0 0 "[ . 1 . ]" 1
169 1 10 A H1' 1 10 A H3' 3.750 2.500 5.000 3.877 3.852 4.026 . 0 0 "[ . 1 . ]" 1
170 1 10 A H1' 1 10 A Q5' 4.500 3.500 5.500 4.225 4.097 4.419 . 0 0 "[ . 1 . ]" 1
171 1 10 A H4' 1 10 A H8 3.750 2.500 5.000 4.678 4.256 4.941 . 0 0 "[ . 1 . ]" 1
172 1 10 A Q5' 1 10 A H8 4.500 3.500 5.500 3.540 2.805 4.319 0.695 7 3 "[ . + - * ]" 1
173 1 10 A H1' 1 10 A H2 4.400 3.000 7.000 4.577 4.479 4.695 . 0 0 "[ . 1 . ]" 1
174 1 10 A H1' 1 10 A H4' 3.750 2.500 5.000 3.220 2.913 3.629 . 0 0 "[ . 1 . ]" 1
175 1 9 A H2' 1 10 A H8 2.900 . 4.500 2.806 2.217 3.253 . 0 0 "[ . 1 . ]" 1
176 1 9 A H3' 1 10 A H8 2.900 . 5.000 2.629 2.196 4.460 . 0 0 "[ . 1 . ]" 1
177 1 9 A H8 1 10 A H8 3.700 . 5.600 4.396 3.594 5.604 0.004 7 0 "[ . 1 . ]" 1
178 1 10 A H8 1 11 U H6 4.500 3.000 6.000 5.888 5.242 6.017 0.017 7 0 "[ . 1 . ]" 1
179 1 10 A H2 1 16 A H2 5.000 3.500 6.000 5.595 4.856 6.003 0.003 9 0 "[ . 1 . ]" 1
180 1 10 A H2 1 11 U H1' 4.500 3.000 6.000 5.862 5.409 6.017 0.017 17 0 "[ . 1 . ]" 1
181 1 9 A H1' 1 10 A H8 4.500 3.500 5.500 5.307 4.747 5.518 0.018 17 0 "[ . 1 . ]" 1
182 1 10 A H1' 1 11 U H6 6.000 5.000 7.000 5.605 4.982 6.597 0.018 7 0 "[ . 1 . ]" 1
183 1 10 A H2 1 16 A H1' 4.500 3.500 6.000 4.360 3.485 5.414 0.015 17 0 "[ . 1 . ]" 1
184 1 10 A H2 1 17 A H2' 5.500 4.500 5.500 5.127 4.535 5.515 0.015 8 0 "[ . 1 . ]" 1
185 1 11 U H2' 1 11 U H5 4.400 3.000 7.000 4.481 4.240 4.994 . 0 0 "[ . 1 . ]" 1
186 1 11 U H1' 1 11 U H4' 3.400 . 5.000 3.092 2.880 3.316 . 0 0 "[ . 1 . ]" 1
187 1 11 U H1' 1 11 U H3' 3.750 2.500 5.000 3.870 3.844 3.919 . 0 0 "[ . 1 . ]" 1
188 1 11 U H1' 1 11 U H2' 3.750 2.500 5.000 3.023 3.006 3.030 . 0 0 "[ . 1 . ]" 1
189 1 11 U H5 1 11 U H6 2.400 . 3.000 2.427 2.425 2.428 . 0 0 "[ . 1 . ]" 1
190 1 11 U Q5' 1 11 U H6 4.500 3.500 5.500 3.281 2.655 3.914 0.845 8 2 "[ . + 1 .- ]" 1
191 1 11 U H1' 1 11 U Q5' 4.500 3.500 5.500 4.195 4.096 4.318 . 0 0 "[ . 1 . ]" 1
192 1 11 U H3' 1 11 U H5 4.400 3.000 7.000 6.436 6.036 6.908 . 0 0 "[ . 1 . ]" 1
193 1 11 U H3' 1 11 U H6 3.750 2.500 5.000 4.150 3.670 4.803 . 0 0 "[ . 1 . ]" 1
194 1 11 U H1' 1 11 U H6 3.750 2.500 5.000 3.691 3.539 3.733 . 0 0 "[ . 1 . ]" 1
195 1 11 U H2' 1 11 U H6 3.400 . 6.000 2.572 2.199 3.390 . 0 0 "[ . 1 . ]" 1
196 1 11 U H6 1 12 C H5 4.500 4.000 6.000 5.773 5.435 6.007 0.007 14 0 "[ . 1 . ]" 1
197 1 10 A H3' 1 11 U H5 4.500 3.500 6.500 4.554 3.607 5.231 . 0 0 "[ . 1 . ]" 1
198 1 10 A H3' 1 11 U H6 4.000 3.000 6.000 3.561 2.994 4.354 0.006 11 0 "[ . 1 . ]" 1
199 1 10 A H2' 1 11 U H6 4.000 3.000 6.000 3.365 3.006 3.858 . 0 0 "[ . 1 . ]" 1
200 1 12 C H5 1 12 C H6 2.400 . 3.000 2.451 2.448 2.452 . 0 0 "[ . 1 . ]" 1
201 1 12 C H1' 1 12 C H6 3.750 2.500 5.000 3.735 3.729 3.742 . 0 0 "[ . 1 . ]" 1
202 1 12 C Q5' 1 12 C H6 4.500 3.500 5.500 3.141 2.665 3.959 0.835 17 7 "[*- . * *** +]" 1
203 1 12 C H1' 1 12 C H5 4.400 3.000 7.000 5.441 5.438 5.444 . 0 0 "[ . 1 . ]" 1
204 1 12 C H1' 1 12 C H2' 3.750 2.500 5.000 3.028 3.024 3.030 . 0 0 "[ . 1 . ]" 1
205 1 12 C H1' 1 12 C H3' 3.750 2.500 5.000 3.853 3.834 3.870 . 0 0 "[ . 1 . ]" 1
206 1 12 C H3' 1 12 C H6 3.750 2.500 5.000 4.064 3.995 4.153 . 0 0 "[ . 1 . ]" 1
207 1 12 C H4' 1 12 C H6 3.750 2.500 5.000 4.541 4.431 4.625 . 0 0 "[ . 1 . ]" 1
208 1 12 C H2' 1 12 C H5 4.400 3.000 7.000 4.310 4.287 4.386 . 0 0 "[ . 1 . ]" 1
209 1 12 C H1' 1 12 C H4' 3.750 2.500 5.000 3.239 3.103 3.356 . 0 0 "[ . 1 . ]" 1
210 1 12 C H1' 1 12 C Q5' 4.500 3.500 5.500 4.192 4.100 4.312 . 0 0 "[ . 1 . ]" 1
211 1 12 C H3' 1 12 C H5 4.400 3.000 7.000 6.440 6.382 6.502 . 0 0 "[ . 1 . ]" 1
212 1 11 U H3' 1 12 C H6 3.000 3.000 5.500 3.352 3.001 4.067 . 0 0 "[ . 1 . ]" 1
213 1 11 U H3' 1 12 C H5 3.000 3.000 5.500 4.314 3.389 5.512 0.012 6 0 "[ . 1 . ]" 1
214 1 12 C H6 1 13 C H5 4.000 4.000 6.000 5.560 5.143 6.022 0.022 10 0 "[ . 1 . ]" 1
215 1 12 C H6 1 13 C H6 4.000 4.000 6.000 5.781 4.906 6.009 0.009 1 0 "[ . 1 . ]" 1
216 1 12 C H5 1 13 C H5 4.000 4.000 6.000 5.782 5.454 5.992 . 0 0 "[ . 1 . ]" 1
217 1 11 U Q5' 1 12 C H5 4.000 4.000 6.000 4.422 3.310 5.412 0.690 3 1 "[ + . 1 . ]" 1
218 1 12 C H1' 1 13 C Q5' 4.500 3.000 6.000 4.589 3.372 5.312 . 0 0 "[ . 1 . ]" 1
219 1 11 U H2' 1 12 C H5 4.500 3.000 7.100 4.614 3.266 6.728 . 0 0 "[ . 1 . ]" 1
220 1 11 U H4' 1 12 C H5 4.500 3.000 7.100 6.328 2.979 7.105 0.021 6 0 "[ . 1 . ]" 1
221 1 11 U H1' 1 12 C H6 6.000 5.000 7.000 6.142 4.980 7.007 0.020 12 0 "[ . 1 . ]" 1
222 1 13 C H1' 1 13 C H2' 3.400 . 5.000 3.023 3.008 3.035 . 0 0 "[ . 1 . ]" 1
223 1 13 C H4' 1 13 C H6 3.750 2.500 5.000 4.328 4.148 4.477 . 0 0 "[ . 1 . ]" 1
224 1 13 C H3' 1 13 C H6 3.400 . 6.000 4.486 4.037 4.836 . 0 0 "[ . 1 . ]" 1
225 1 13 C H5 1 13 C H6 2.400 . 3.000 2.451 2.449 2.452 . 0 0 "[ . 1 . ]" 1
226 1 13 C H1' 1 13 C H6 3.750 2.500 5.000 3.611 3.413 3.706 . 0 0 "[ . 1 . ]" 1
227 1 13 C Q5' 1 13 C H6 4.500 3.500 5.500 3.084 2.683 3.699 0.817 17 5 "[ - *.* *1 . +]" 1
228 1 13 C H1' 1 13 C H5 4.400 3.000 7.000 5.358 5.215 5.422 . 0 0 "[ . 1 . ]" 1
229 1 13 C H2' 1 13 C H6 3.750 2.500 5.000 3.103 2.660 3.735 . 0 0 "[ . 1 . ]" 1
230 1 13 C H1' 1 13 C H3' 3.750 2.500 5.000 3.870 3.817 3.908 . 0 0 "[ . 1 . ]" 1
231 1 13 C H3' 1 13 C H5 4.400 . 7.000 6.679 6.310 6.974 . 0 0 "[ . 1 . ]" 1
232 1 13 C H1' 1 13 C Q5' 4.500 3.500 5.500 4.165 4.042 4.269 . 0 0 "[ . 1 . ]" 1
233 1 12 C H1' 1 13 C H6 4.400 4.000 5.500 4.877 3.994 5.499 0.006 16 0 "[ . 1 . ]" 1
234 1 13 C H6 1 14 C H5 4.400 4.000 8.000 5.991 3.992 7.557 0.008 17 0 "[ . 1 . ]" 1
235 1 13 C H6 1 14 C Q5' 4.400 4.000 7.000 5.795 5.205 6.123 . 0 0 "[ . 1 . ]" 1
236 1 12 C H2' 1 13 C H6 4.500 4.000 5.500 4.060 3.987 4.291 0.013 1 0 "[ . 1 . ]" 1
237 1 12 C H3' 1 13 C H6 4.400 4.000 7.000 5.062 4.471 5.804 . 0 0 "[ . 1 . ]" 1
238 1 13 C H6 1 14 C H6 4.400 4.000 7.000 6.068 4.569 6.994 . 0 0 "[ . 1 . ]" 1
239 1 12 C H2' 1 13 C H5 4.400 4.000 7.000 4.594 4.000 5.700 . 0 0 "[ . 1 . ]" 1
240 1 12 C H1' 1 13 C H5 4.400 4.000 7.000 5.652 4.184 6.881 . 0 0 "[ . 1 . ]" 1
241 1 14 C H1' 1 14 C H2' 4.400 . 7.000 3.016 2.886 3.030 . 0 0 "[ . 1 . ]" 1
242 1 14 C H1' 1 14 C H4' 4.400 . 7.000 3.176 2.854 3.423 . 0 0 "[ . 1 . ]" 1
243 1 14 C H5 1 14 C H6 2.400 . 3.000 2.451 2.443 2.453 . 0 0 "[ . 1 . ]" 1
244 1 14 C H4' 1 14 C Q5' 4.500 . 5.500 2.261 2.163 2.558 . 0 0 "[ . 1 . ]" 1
245 1 14 C H3' 1 14 C Q5' 3.750 2.500 5.000 2.513 2.114 2.902 0.386 15 0 "[ . 1 . ]" 1
246 1 14 C H1' 1 14 C H6 3.750 2.500 5.000 3.640 3.419 3.736 . 0 0 "[ . 1 . ]" 1
247 1 14 C Q5' 1 14 C H6 4.500 3.500 5.500 3.081 2.672 3.552 0.828 5 7 "[ **-+* 1 ** ]" 1
248 1 14 C H1' 1 14 C Q5' 4.500 3.500 5.500 4.192 3.987 4.305 . 0 0 "[ . 1 . ]" 1
249 1 14 C H1' 1 14 C H5 4.400 3.000 7.000 5.377 5.226 5.437 . 0 0 "[ . 1 . ]" 1
250 1 14 C H2' 1 14 C H5 4.400 3.000 7.000 4.716 4.326 5.184 . 0 0 "[ . 1 . ]" 1
251 1 14 C H2' 1 14 C H6 3.750 2.500 5.000 2.955 2.479 3.683 0.021 16 0 "[ . 1 . ]" 1
252 1 14 C H1' 1 14 C H3' 3.750 2.500 5.000 3.876 3.849 4.035 . 0 0 "[ . 1 . ]" 1
253 1 14 C H1' 1 15 G Q5' 4.400 4.000 7.000 5.080 3.736 6.194 0.264 3 0 "[ . 1 . ]" 1
254 1 14 C H3' 1 14 C H5 4.400 3.000 7.000 6.580 5.211 7.075 0.075 15 0 "[ . 1 . ]" 1
255 1 13 C H3' 1 14 C H6 3.750 2.500 5.000 3.092 2.497 5.019 0.019 15 0 "[ . 1 . ]" 1
256 1 12 C H2' 1 14 C H5 4.400 4.000 6.000 5.360 4.005 6.035 0.035 10 0 "[ . 1 . ]" 1
257 1 13 C H2' 1 14 C H6 4.500 3.000 5.500 3.947 3.324 4.504 . 0 0 "[ . 1 . ]" 1
258 1 13 C H2' 1 14 C H5 4.400 4.000 6.000 4.860 3.992 5.937 0.008 3 0 "[ . 1 . ]" 1
259 1 13 C H4' 1 14 C H6 4.400 4.000 6.000 5.468 4.096 6.008 0.008 3 0 "[ . 1 . ]" 1
260 1 13 C H3' 1 14 C H5 4.400 4.000 7.000 4.470 4.032 6.000 . 0 0 "[ . 1 . ]" 1
261 1 13 C H2' 1 14 C H1' 4.400 4.000 7.000 6.787 5.888 7.037 0.037 15 0 "[ . 1 . ]" 1
262 1 13 C H4' 1 14 C H5 4.400 4.000 7.000 6.424 4.741 7.001 0.001 3 0 "[ . 1 . ]" 1
263 1 15 G H1' 1 15 G H2' 3.400 . 5.000 2.760 2.695 3.024 . 0 0 "[ . 1 . ]" 1
264 1 15 G H1' 1 15 G H8 2.400 . 3.000 2.676 2.642 2.696 . 0 0 "[ . 1 . ]" 1
265 1 15 G H2' 1 15 G H8 3.750 2.500 5.000 4.256 3.719 4.379 . 0 0 "[ . 1 . ]" 1
266 1 15 G H1' 1 15 G H3' 3.750 2.500 5.000 3.961 3.834 4.040 . 0 0 "[ . 1 . ]" 1
267 1 15 G Q5' 1 15 G H8 4.400 . 7.000 5.003 4.138 6.276 . 0 0 "[ . 1 . ]" 1
268 1 15 G H1' 1 15 G Q5' 4.400 3.500 5.500 4.251 3.889 4.453 . 0 0 "[ . 1 . ]" 1
269 1 15 G H3' 1 15 G H8 4.500 3.500 5.500 5.371 5.234 5.654 0.154 9 0 "[ . 1 . ]" 1
270 1 15 G H1' 1 15 G H4' 3.750 2.500 5.000 3.673 2.867 3.906 . 0 0 "[ . 1 . ]" 1
271 1 15 G H4' 1 15 G H8 4.500 3.500 5.500 5.527 5.472 5.556 0.056 4 0 "[ . 1 . ]" 1
272 1 14 C H4' 1 15 G H8 4.400 4.000 6.000 4.976 3.974 5.944 0.026 2 0 "[ . 1 . ]" 1
273 1 14 C Q5' 1 15 G H1' 4.400 4.000 6.000 4.981 3.665 5.406 0.335 13 0 "[ . 1 . ]" 1
274 1 14 C Q5' 1 15 G H8 4.400 4.000 6.000 4.289 3.387 5.422 0.613 16 1 "[ . 1 .+ ]" 1
275 1 16 A H1' 1 16 A H8 3.750 2.500 5.000 3.672 3.594 3.743 . 0 0 "[ . 1 . ]" 1
276 1 16 A H2' 1 16 A H8 4.400 . 7.000 2.138 2.121 2.155 . 0 0 "[ . 1 . ]" 1
277 1 16 A H3' 1 16 A H8 4.400 . 7.000 3.149 2.190 4.516 . 0 0 "[ . 1 . ]" 1
278 1 16 A H1' 1 16 A H4' 3.400 . 6.000 3.617 3.205 3.899 . 0 0 "[ . 1 . ]" 1
279 1 16 A H1' 1 16 A H2' 4.400 . 7.000 2.826 2.670 3.038 . 0 0 "[ . 1 . ]" 1
280 1 16 A H1' 1 16 A H3' 4.400 . 7.000 3.897 3.804 3.991 . 0 0 "[ . 1 . ]" 1
281 1 16 A Q5' 1 16 A H8 4.500 3.500 5.500 3.701 2.731 4.939 0.769 8 4 "[ . *+ * - ]" 1
282 1 16 A H1' 1 16 A Q5' 4.500 3.500 5.500 4.024 3.794 4.338 . 0 0 "[ . 1 . ]" 1
283 1 16 A H2' 1 17 A H2' 3.400 . 5.000 3.334 2.300 4.063 . 0 0 "[ . 1 . ]" 1
284 1 16 A H2' 1 17 A H3' 3.400 . 5.000 4.130 3.437 4.954 . 0 0 "[ . 1 . ]" 1
285 1 16 A H2' 1 17 A Q5' 3.400 . 5.000 2.888 2.096 4.084 . 0 0 "[ . 1 . ]" 1
286 1 15 G H2' 1 16 A H8 3.500 3.000 5.500 4.261 2.997 5.517 0.017 9 0 "[ . 1 . ]" 1
287 1 15 G H3' 1 16 A H8 3.500 3.000 5.500 5.251 3.927 5.517 0.017 1 0 "[ . 1 . ]" 1
288 1 15 G H1' 1 16 A H8 4.400 3.000 7.000 5.840 3.852 6.929 . 0 0 "[ . 1 . ]" 1
289 1 16 A H1' 1 16 A H2 6.000 5.000 7.000 4.916 4.844 4.989 0.156 7 0 "[ . 1 . ]" 1
290 1 10 A H1' 1 16 A H2 6.000 5.000 7.000 5.581 5.027 6.995 . 0 0 "[ . 1 . ]" 1
291 1 16 A H8 1 17 A H2' 3.500 3.000 4.000 3.595 2.980 3.982 0.020 7 0 "[ . 1 . ]" 1
292 1 16 A H8 1 17 A H8 3.400 . 5.000 4.296 3.598 4.878 . 0 0 "[ . 1 . ]" 1
293 1 15 G H1' 1 16 A H2 6.000 6.000 7.000 6.455 5.985 7.025 0.025 2 0 "[ . 1 . ]" 1
294 1 17 A H2' 1 17 A H8 4.400 . 6.000 2.591 2.192 2.994 . 0 0 "[ . 1 . ]" 1
295 1 17 A Q5' 1 17 A H8 4.400 . 6.000 2.709 2.074 3.814 . 0 0 "[ . 1 . ]" 1
296 1 17 A H3' 1 17 A H8 3.750 2.500 5.000 4.385 3.954 4.668 . 0 0 "[ . 1 . ]" 1
297 1 17 A H1' 1 17 A H8 3.750 2.500 5.000 3.879 3.844 3.893 . 0 0 "[ . 1 . ]" 1
298 1 17 A H1' 1 17 A H2 4.500 3.500 6.000 4.505 4.482 4.571 . 0 0 "[ . 1 . ]" 1
299 1 17 A H1' 1 17 A H2' 3.750 2.500 5.000 3.015 2.979 3.030 . 0 0 "[ . 1 . ]" 1
300 1 17 A H1' 1 17 A H4' 3.750 2.500 5.000 3.457 3.241 3.729 . 0 0 "[ . 1 . ]" 1
301 1 17 A H4' 1 17 A H8 4.400 . 7.000 4.635 4.382 4.921 . 0 0 "[ . 1 . ]" 1
302 1 17 A H8 1 19 U H1' 3.750 2.500 5.000 3.777 2.921 4.367 . 0 0 "[ . 1 . ]" 1
303 1 17 A H1' 1 18 G H4' 4.500 3.500 5.500 3.569 3.453 3.899 0.047 2 0 "[ . 1 . ]" 1
304 1 17 A H1' 1 19 U H2' 4.400 3.000 7.000 6.854 6.531 6.997 . 0 0 "[ . 1 . ]" 1
305 1 16 A H4' 1 17 A H8 4.400 3.000 7.000 5.959 5.253 6.743 . 0 0 "[ . 1 . ]" 1
306 1 17 A H1' 1 18 G H3' 4.400 3.000 7.000 6.114 5.769 6.650 . 0 0 "[ . 1 . ]" 1
307 1 8 A Q5' 1 17 A H2 4.400 3.000 7.000 4.825 3.300 6.053 . 0 0 "[ . 1 . ]" 1
308 1 17 A H2 1 18 G H1' 4.400 3.000 7.000 6.510 5.386 7.013 0.013 7 0 "[ . 1 . ]" 1
309 1 17 A H1' 1 19 U H1' 4.400 3.000 7.000 5.423 4.944 5.762 . 0 0 "[ . 1 . ]" 1
310 1 10 A H2 1 17 A H8 5.000 3.500 5.500 4.817 3.875 5.419 . 0 0 "[ . 1 . ]" 1
311 1 8 A H3' 1 17 A H2 4.400 3.000 7.000 6.351 5.529 6.950 . 0 0 "[ . 1 . ]" 1
312 1 16 A Q5' 1 17 A H8 4.400 3.000 7.000 6.147 5.783 6.286 . 0 0 "[ . 1 . ]" 1
313 1 16 A H2' 1 17 A H8 3.750 2.500 5.000 3.287 2.478 4.446 0.022 11 0 "[ . 1 . ]" 1
314 1 16 A H1' 1 17 A H8 3.400 . 5.000 4.020 3.020 4.811 . 0 0 "[ . 1 . ]" 1
315 1 16 A H3' 1 17 A H8 4.400 3.000 6.000 4.610 3.932 5.356 . 0 0 "[ . 1 . ]" 1
316 1 17 A H8 1 19 U H6 3.000 3.000 5.500 5.203 4.463 5.512 0.012 14 0 "[ . 1 . ]" 1
317 1 18 G H3' 1 18 G Q5' 3.750 2.500 5.000 2.307 2.102 2.680 0.398 16 0 "[ . 1 . ]" 1
318 1 18 G H3' 1 18 G H4' 3.750 2.500 5.000 2.868 2.806 2.958 . 0 0 "[ . 1 . ]" 1
319 1 18 G H2' 1 18 G H4' 3.750 2.500 5.000 3.887 3.854 3.920 . 0 0 "[ . 1 . ]" 1
320 1 18 G H2' 1 18 G Q5' 4.500 3.500 5.500 3.068 2.787 3.542 0.713 14 7 "[- . * **** +. ]" 1
321 1 18 G H1' 1 18 G Q5' 4.400 . 7.000 4.058 4.032 4.110 . 0 0 "[ . 1 . ]" 1
322 1 18 G H1' 1 18 G H2' 4.400 . 7.000 3.031 3.014 3.038 . 0 0 "[ . 1 . ]" 1
323 1 18 G H1' 1 18 G H3' 4.400 . 7.000 3.841 3.811 3.898 . 0 0 "[ . 1 . ]" 1
324 1 18 G H1' 1 18 G H4' 4.400 . 7.000 3.017 2.812 3.177 . 0 0 "[ . 1 . ]" 1
325 1 17 A H1' 1 18 G H1' 4.400 3.000 7.000 4.872 3.864 5.813 . 0 0 "[ . 1 . ]" 1
326 1 19 U H5 1 19 U H6 2.400 . 3.000 2.427 2.425 2.428 . 0 0 "[ . 1 . ]" 1
327 1 19 U H1' 1 19 U H3' 3.750 2.500 5.000 3.922 3.887 3.953 . 0 0 "[ . 1 . ]" 1
328 1 19 U H1' 1 19 U H6 3.750 2.500 5.000 3.604 3.506 3.687 . 0 0 "[ . 1 . ]" 1
329 1 19 U H3' 1 19 U H6 3.400 . 5.000 3.158 2.461 4.112 . 0 0 "[ . 1 . ]" 1
330 1 19 U H1' 1 19 U Q5' 4.400 . 7.000 4.195 4.122 4.326 . 0 0 "[ . 1 . ]" 1
331 1 19 U H1' 1 19 U H5 4.400 3.000 7.000 5.353 5.288 5.413 . 0 0 "[ . 1 . ]" 1
332 1 19 U H1' 1 19 U H2' 3.750 2.500 5.000 2.837 2.743 2.977 . 0 0 "[ . 1 . ]" 1
333 1 19 U H2' 1 19 U H6 3.750 2.500 5.000 3.537 3.273 3.975 . 0 0 "[ . 1 . ]" 1
334 1 19 U H4' 1 19 U H6 3.750 2.500 5.000 4.155 3.960 4.375 . 0 0 "[ . 1 . ]" 1
335 1 19 U H1' 1 19 U H4' 3.750 2.500 5.000 3.178 2.806 3.490 . 0 0 "[ . 1 . ]" 1
336 1 17 A H2' 1 19 U H1' 4.400 3.000 7.000 5.638 4.919 6.546 . 0 0 "[ . 1 . ]" 1
337 1 17 A Q5' 1 19 U H1' 4.400 3.000 7.000 3.455 2.571 4.861 0.429 7 0 "[ . 1 . ]" 1
338 1 18 G H4' 1 19 U H6 4.400 . 6.000 2.732 2.203 3.188 . 0 0 "[ . 1 . ]" 1
339 1 18 G H3' 1 19 U H6 4.400 . 6.000 5.020 4.696 5.502 . 0 0 "[ . 1 . ]" 1
340 1 17 A H4' 1 19 U H6 4.500 3.500 5.000 3.780 3.488 4.322 0.012 8 0 "[ . 1 . ]" 1
341 1 19 U H6 1 20 A H8 3.700 . 5.600 5.499 4.769 5.630 0.030 2 0 "[ . 1 . ]" 1
342 1 18 G Q5' 1 19 U H6 4.400 3.000 7.000 4.665 3.893 5.226 . 0 0 "[ . 1 . ]" 1
343 1 17 A H4' 1 19 U H1' 3.750 2.500 5.000 4.765 3.815 5.011 0.011 10 0 "[ . 1 . ]" 1
344 1 17 A H1' 1 19 U H6 4.500 3.500 5.500 3.841 3.586 4.215 . 0 0 "[ . 1 . ]" 1
345 1 18 G H1' 1 19 U H6 4.400 . 5.000 3.279 2.613 3.891 . 0 0 "[ . 1 . ]" 1
346 1 17 A H1' 1 19 U H5 4.500 3.500 5.500 3.888 3.496 4.392 0.004 13 0 "[ . 1 . ]" 1
347 1 20 A H1' 1 20 A H2' 3.400 . 5.000 2.758 2.724 2.983 . 0 0 "[ . 1 . ]" 1
348 1 20 A H2' 1 20 A H8 4.400 . 7.000 3.678 3.413 3.863 . 0 0 "[ . 1 . ]" 1
349 1 20 A H3' 1 20 A H8 4.400 . 7.000 2.902 2.392 4.373 . 0 0 "[ . 1 . ]" 1
350 1 20 A Q5' 1 20 A H8 4.400 . 7.000 2.813 2.167 3.795 . 0 0 "[ . 1 . ]" 1
351 1 20 A H1' 1 20 A H8 3.750 2.500 5.000 3.806 3.740 3.870 . 0 0 "[ . 1 . ]" 1
352 1 20 A H1' 1 20 A H3' 3.750 2.500 5.000 3.897 3.886 3.919 . 0 0 "[ . 1 . ]" 1
353 1 20 A H4' 1 20 A H8 3.750 2.500 5.000 4.257 4.103 4.682 . 0 0 "[ . 1 . ]" 1
354 1 19 U H3' 1 20 A H8 4.400 . 6.000 3.653 2.983 4.263 . 0 0 "[ . 1 . ]" 1
355 1 19 U H1' 1 20 A H8 3.400 . 5.000 4.861 4.297 5.035 0.035 17 0 "[ . 1 . ]" 1
356 1 20 A H8 1 21 G H8 3.700 . 5.600 4.361 3.031 5.575 . 0 0 "[ . 1 . ]" 1
357 1 20 A H2 1 21 G H1' 3.750 2.500 5.000 3.220 2.530 3.847 . 0 0 "[ . 1 . ]" 1
358 1 20 A H1' 1 21 G H2' 4.400 . 7.000 6.913 6.390 7.044 0.044 17 0 "[ . 1 . ]" 1
359 1 19 U H3' 1 20 A H1' 4.400 3.000 7.000 6.524 5.817 7.000 0.000 14 0 "[ . 1 . ]" 1
360 1 20 A H1' 1 21 G H1' 4.400 3.000 7.000 4.692 3.848 5.815 . 0 0 "[ . 1 . ]" 1
361 1 20 A H1' 1 21 G H4' 4.400 3.000 7.000 5.197 4.724 5.836 . 0 0 "[ . 1 . ]" 1
362 1 19 U H2' 1 20 A H1' 4.500 3.500 5.500 4.453 3.691 5.045 . 0 0 "[ . 1 . ]" 1
363 1 19 U H1' 1 20 A H1' 4.400 3.000 7.000 5.215 4.646 6.598 . 0 0 "[ . 1 . ]" 1
364 1 8 A H1' 1 20 A H2 3.750 2.500 5.000 4.540 4.186 4.985 . 0 0 "[ . 1 . ]" 1
365 1 19 U H2' 1 20 A H8 2.400 . 3.000 2.302 2.181 2.500 . 0 0 "[ . 1 . ]" 1
366 1 21 G H1' 1 21 G H2' 3.750 2.500 5.000 2.762 2.720 2.866 . 0 0 "[ . 1 . ]" 1
367 1 21 G H1' 1 21 G H4' 3.750 2.500 5.000 3.404 3.059 3.527 . 0 0 "[ . 1 . ]" 1
368 1 21 G H1' 1 21 G H8 3.400 . 5.000 3.736 3.603 3.861 . 0 0 "[ . 1 . ]" 1
369 1 21 G H3' 1 21 G H8 4.400 . 7.000 3.190 2.669 3.612 . 0 0 "[ . 1 . ]" 1
370 1 21 G H4' 1 21 G H8 4.400 . 7.000 4.353 4.177 4.578 . 0 0 "[ . 1 . ]" 1
371 1 21 G H2' 1 21 G H8 3.750 2.500 5.000 3.853 3.270 4.240 . 0 0 "[ . 1 . ]" 1
372 1 21 G Q5' 1 21 G H8 4.500 3.500 5.500 3.070 2.640 4.040 0.860 11 9 "[* * .** *+ **-]" 1
373 1 20 A H2' 1 21 G H8 4.500 . 5.500 2.239 2.175 2.422 . 0 0 "[ . 1 . ]" 1
374 1 20 A H1' 1 21 G H8 4.500 . 5.500 4.831 4.394 5.078 . 0 0 "[ . 1 . ]" 1
375 1 21 G H8 1 22 U H5 4.500 3.500 5.500 4.228 3.730 4.802 . 0 0 "[ . 1 . ]" 1
376 1 20 A H4' 1 21 G H8 4.500 3.500 5.500 5.363 5.068 5.505 0.005 12 0 "[ . 1 . ]" 1
377 1 19 U H2' 1 21 G H8 4.400 3.000 7.000 6.512 5.247 7.017 0.017 17 0 "[ . 1 . ]" 1
378 1 20 A H3' 1 21 G H8 3.750 2.500 5.000 2.777 2.487 3.541 0.013 7 0 "[ . 1 . ]" 1
379 1 21 G H8 1 22 U H6 3.700 . 5.600 4.699 4.006 5.595 . 0 0 "[ . 1 . ]" 1
380 1 22 U H1' 1 22 U H2' 3.400 . 5.000 2.854 2.783 2.973 . 0 0 "[ . 1 . ]" 1
381 1 22 U H5 1 22 U H6 2.400 . 3.000 2.426 2.425 2.428 . 0 0 "[ . 1 . ]" 1
382 1 22 U H1' 1 22 U H4' 3.400 . 5.000 3.125 2.823 3.337 . 0 0 "[ . 1 . ]" 1
383 1 22 U H1' 1 22 U H6 3.750 2.500 5.000 3.540 3.452 3.651 . 0 0 "[ . 1 . ]" 1
384 1 22 U H1' 1 22 U Q5' 4.400 3.500 5.500 4.348 4.249 4.463 . 0 0 "[ . 1 . ]" 1
385 1 22 U H3' 1 22 U H5 4.400 3.000 7.000 5.372 4.967 6.033 . 0 0 "[ . 1 . ]" 1
386 1 22 U H1' 1 22 U H5 4.400 . 7.000 5.309 5.249 5.387 . 0 0 "[ . 1 . ]" 1
387 1 22 U Q5' 1 22 U H6 4.500 3.500 5.500 3.403 2.702 4.030 0.798 4 6 "[ * +.* 1 - *.* ]" 1
388 1 22 U H4' 1 22 U H5 4.400 . 7.000 6.611 6.480 6.749 . 0 0 "[ . 1 . ]" 1
389 1 22 U H2' 1 22 U H5 4.400 3.000 7.000 5.134 4.721 5.366 . 0 0 "[ . 1 . ]" 1
390 1 22 U H1' 1 22 U H3' 3.750 2.500 5.000 3.930 3.908 3.953 . 0 0 "[ . 1 . ]" 1
391 1 22 U H2' 1 22 U H6 3.400 . 5.500 3.693 3.100 4.004 . 0 0 "[ . 1 . ]" 1
392 1 21 G H2' 1 22 U H5 4.400 3.000 7.000 4.199 3.684 4.598 . 0 0 "[ . 1 . ]" 1
393 1 21 G H3' 1 22 U H5 4.400 3.000 7.000 4.197 3.202 5.136 . 0 0 "[ . 1 . ]" 1
394 1 21 G H1' 1 22 U H6 3.750 2.500 5.000 4.994 4.803 5.091 0.091 7 0 "[ . 1 . ]" 1
395 1 21 G H1' 1 22 U H5 4.400 3.000 7.000 6.072 5.677 6.541 . 0 0 "[ . 1 . ]" 1
396 1 21 G H1' 1 22 U H1' 4.400 3.000 7.000 5.820 4.771 6.569 . 0 0 "[ . 1 . ]" 1
397 1 21 G H2' 1 22 U H1' 4.400 3.000 7.000 4.180 3.840 4.783 . 0 0 "[ . 1 . ]" 1
398 1 21 G H2' 1 22 U H6 3.750 2.500 5.000 2.504 2.411 2.663 0.089 7 0 "[ . 1 . ]" 1
399 1 21 G H3' 1 22 U H6 3.750 2.500 5.000 3.320 2.492 4.126 0.008 10 0 "[ . 1 . ]" 1
400 1 23 G H4' 1 23 G H8 4.500 3.500 5.000 4.413 4.317 4.641 . 0 0 "[ . 1 . ]" 1
401 1 23 G H1' 1 23 G H2' 3.750 2.500 5.000 2.794 2.742 2.907 . 0 0 "[ . 1 . ]" 1
402 1 23 G Q5' 1 23 G H8 4.500 3.500 5.500 3.291 2.670 4.168 0.830 12 7 "[ - * **1*+* . ]" 1
403 1 23 G H1' 1 23 G H8 3.750 2.500 5.000 3.748 3.647 3.837 . 0 0 "[ . 1 . ]" 1
404 1 23 G H1' 1 23 G Q5' 4.500 3.500 5.500 4.387 4.247 4.498 . 0 0 "[ . 1 . ]" 1
405 1 23 G H1' 1 23 G H3' 3.750 2.500 5.000 3.918 3.899 3.953 . 0 0 "[ . 1 . ]" 1
406 1 23 G H2' 1 23 G H8 3.750 2.500 5.000 3.792 3.337 4.096 . 0 0 "[ . 1 . ]" 1
407 1 22 U H1' 1 23 G H8 3.400 . 5.500 4.832 3.807 5.163 . 0 0 "[ . 1 . ]" 1
408 1 23 G H1' 1 24 U H5 4.400 3.000 7.000 5.902 5.076 6.420 . 0 0 "[ . 1 . ]" 1
409 1 23 G H8 1 24 U H5 4.500 3.500 5.500 4.878 4.334 5.269 . 0 0 "[ . 1 . ]" 1
410 1 23 G H1' 1 24 U H1' 4.400 3.000 7.000 5.504 4.902 6.284 . 0 0 "[ . 1 . ]" 1
411 1 22 U H1' 1 23 G H1' 4.400 3.000 7.000 6.399 5.457 6.990 . 0 0 "[ . 1 . ]" 1
412 1 22 U H6 1 23 G H8 3.700 . 5.600 5.318 4.867 5.595 . 0 0 "[ . 1 . ]" 1
413 1 22 U H2' 1 23 G H8 2.400 . 3.000 2.281 2.198 2.426 . 0 0 "[ . 1 . ]" 1
414 1 23 G H8 1 24 U H6 3.700 . 5.600 5.423 4.927 5.625 0.025 8 0 "[ . 1 . ]" 1
415 1 24 U H1' 1 24 U H2' 4.400 . 7.000 2.812 2.754 2.944 . 0 0 "[ . 1 . ]" 1
416 1 24 U H1' 1 24 U H3' 4.400 . 7.000 3.921 3.896 3.963 . 0 0 "[ . 1 . ]" 1
417 1 24 U H1' 1 24 U H4' 4.400 . 7.000 3.255 2.924 3.452 . 0 0 "[ . 1 . ]" 1
418 1 24 U H5 1 24 U H6 2.400 . 3.000 2.427 2.425 2.428 . 0 0 "[ . 1 . ]" 1
419 1 24 U H1' 1 24 U Q5' 4.500 3.500 5.500 4.417 4.309 4.510 . 0 0 "[ . 1 . ]" 1
420 1 24 U H1' 1 24 U H6 3.750 2.500 5.000 3.586 3.489 3.656 . 0 0 "[ . 1 . ]" 1
421 1 24 U H1' 1 24 U H5 4.400 3.000 7.000 5.340 5.272 5.390 . 0 0 "[ . 1 . ]" 1
422 1 24 U H5 1 24 U Q5' 4.400 3.000 7.000 5.300 4.621 5.988 . 0 0 "[ . 1 . ]" 1
423 1 24 U H2' 1 24 U H6 4.400 . 7.000 3.655 3.317 3.980 . 0 0 "[ . 1 . ]" 1
424 1 24 U H3' 1 24 U H6 4.400 . 7.000 3.129 2.614 3.695 . 0 0 "[ . 1 . ]" 1
425 1 24 U Q5' 1 24 U H6 4.400 3.500 5.500 3.354 2.780 3.918 0.720 14 3 "[ *. 1 -+. ]" 1
426 1 24 U H2' 1 24 U H5 4.400 3.000 7.000 5.106 4.857 5.356 . 0 0 "[ . 1 . ]" 1
427 1 24 U H3' 1 24 U H5 4.400 3.000 7.000 5.010 4.549 5.788 . 0 0 "[ . 1 . ]" 1
428 1 24 U H6 1 25 C H5 4.500 3.500 5.500 4.738 4.363 5.092 . 0 0 "[ . 1 . ]" 1
429 1 23 G H2' 1 24 U H6 4.400 . 7.000 2.261 2.189 2.423 . 0 0 "[ . 1 . ]" 1
430 1 23 G H3' 1 24 U H6 4.400 3.000 7.000 3.611 3.083 4.105 . 0 0 "[ . 1 . ]" 1
431 1 23 G H1' 1 24 U H6 3.750 2.500 5.000 4.859 4.084 5.009 0.009 13 0 "[ . 1 . ]" 1
432 1 23 G H3' 1 24 U H5 4.400 3.000 7.000 4.049 3.063 4.890 . 0 0 "[ . 1 . ]" 1
433 1 25 C H1' 1 25 C H2' 3.400 . 5.000 2.961 2.946 2.975 . 0 0 "[ . 1 . ]" 1
434 1 25 C H5 1 25 C H6 2.400 . 3.000 2.451 2.450 2.452 . 0 0 "[ . 1 . ]" 1
435 1 25 C H1' 1 25 C H3' 3.750 2.500 5.000 3.948 3.936 3.958 . 0 0 "[ . 1 . ]" 1
436 1 25 C H2' 1 25 C H6 3.750 2.500 5.000 3.110 2.935 3.273 . 0 0 "[ . 1 . ]" 1
437 1 25 C H1' 1 25 C Q5' 4.500 3.500 5.500 4.246 4.190 4.302 . 0 0 "[ . 1 . ]" 1
438 1 25 C H1' 1 25 C H6 3.750 2.500 5.000 3.655 3.612 3.693 . 0 0 "[ . 1 . ]" 1
439 1 25 C Q5' 1 25 C H6 4.500 3.500 5.500 3.945 3.423 4.065 0.077 7 0 "[ . 1 . ]" 1
440 1 25 C H3' 1 25 C H5 4.400 3.000 7.000 5.846 5.643 6.049 . 0 0 "[ . 1 . ]" 1
441 1 25 C H3' 1 25 C H6 4.400 . 7.000 3.654 3.398 3.900 . 0 0 "[ . 1 . ]" 1
442 1 25 C H1' 1 25 C H4' 3.750 2.500 5.000 2.846 2.802 2.898 . 0 0 "[ . 1 . ]" 1
443 1 25 C H4' 1 25 C H6 3.750 2.500 5.500 4.398 4.366 4.440 . 0 0 "[ . 1 . ]" 1
444 1 25 C H2' 1 25 C H5 4.400 3.000 7.000 4.733 4.613 4.851 . 0 0 "[ . 1 . ]" 1
445 1 24 U H1' 1 25 C H6 3.750 2.500 5.000 4.963 4.688 5.020 0.020 16 0 "[ . 1 . ]" 1
446 1 25 C H5 1 26 C H5 4.500 3.500 5.500 5.066 4.529 5.462 . 0 0 "[ . 1 . ]" 1
447 1 24 U H5 1 25 C H5 4.400 3.000 7.000 4.261 3.821 4.734 . 0 0 "[ . 1 . ]" 1
448 1 25 C H1' 1 26 C H5 4.400 3.000 7.000 4.679 4.251 4.992 . 0 0 "[ . 1 . ]" 1
449 1 25 C H6 1 26 C H6 3.700 . 5.600 5.498 5.301 5.600 . 0 0 "[ . 1 . ]" 1
450 1 24 U H6 1 25 C H6 3.700 . 5.600 5.127 4.643 5.524 . 0 0 "[ . 1 . ]" 1
451 1 24 U H2' 1 25 C H5 4.400 3.000 7.000 3.843 3.346 4.438 . 0 0 "[ . 1 . ]" 1
452 1 25 C H1' 1 26 C Q5' 4.400 3.000 7.000 4.295 3.303 5.495 . 0 0 "[ . 1 . ]" 1
453 1 24 U H3' 1 25 C H5 4.400 3.000 7.000 4.644 3.975 5.406 . 0 0 "[ . 1 . ]" 1
454 1 24 U H2' 1 25 C H6 4.400 . 7.000 2.390 2.236 2.621 . 0 0 "[ . 1 . ]" 1
455 1 24 U H3' 1 25 C H6 4.400 3.000 7.000 3.760 3.135 4.396 . 0 0 "[ . 1 . ]" 1
456 1 25 C H1' 1 26 C H2' 4.400 3.000 7.000 6.802 5.954 7.022 0.022 5 0 "[ . 1 . ]" 1
457 1 26 C H1' 1 26 C H2' 3.750 2.500 5.000 2.823 2.753 3.028 . 0 0 "[ . 1 . ]" 1
458 1 26 C H1' 1 26 C H3' 3.750 2.500 5.000 3.848 3.835 3.861 . 0 0 "[ . 1 . ]" 1
459 1 26 C H5 1 26 C H6 2.400 . 3.000 2.452 2.449 2.455 . 0 0 "[ . 1 . ]" 1
460 1 26 C H3' 1 26 C H6 3.750 2.500 5.000 2.946 2.477 4.556 0.023 17 0 "[ . 1 . ]" 1
461 1 26 C H2' 1 26 C H6 3.750 2.500 5.000 3.420 2.520 3.837 . 0 0 "[ . 1 . ]" 1
462 1 26 C H1' 1 26 C H6 3.750 2.500 5.000 3.644 3.560 3.717 . 0 0 "[ . 1 . ]" 1
463 1 26 C Q5' 1 26 C H6 4.500 3.500 5.500 3.211 2.739 3.516 0.761 15 4 "[ . * -* + ]" 1
464 1 26 C H1' 1 26 C H5 4.400 3.000 7.000 5.379 5.324 5.430 . 0 0 "[ . 1 . ]" 1
465 1 26 C H3' 1 26 C H5 4.400 3.000 7.000 4.963 4.509 6.738 . 0 0 "[ . 1 . ]" 1
466 1 26 C H1' 1 26 C Q5' 4.500 3.500 5.500 4.328 4.077 4.479 . 0 0 "[ . 1 . ]" 1
467 1 26 C H5 1 26 C Q5' 4.400 3.000 7.000 5.230 4.785 5.513 . 0 0 "[ . 1 . ]" 1
468 1 26 C H1' 1 26 C H4' 3.750 2.500 5.000 3.307 3.183 3.390 . 0 0 "[ . 1 . ]" 1
469 1 26 C H4' 1 26 C H6 3.750 2.500 5.000 4.093 3.989 4.361 . 0 0 "[ . 1 . ]" 1
470 1 26 C H2' 1 26 C H5 4.400 3.000 7.000 4.964 4.461 5.242 . 0 0 "[ . 1 . ]" 1
471 1 26 C H4' 1 26 C H5 4.400 3.000 7.000 6.525 6.424 6.743 . 0 0 "[ . 1 . ]" 1
472 1 25 C H2' 1 26 C H6 3.750 2.500 5.000 2.533 2.489 2.637 0.011 12 0 "[ . 1 . ]" 1
473 1 25 C H1' 1 26 C H6 2.400 . 4.000 3.923 3.756 4.016 0.016 6 0 "[ . 1 . ]" 1
474 1 25 C H4' 1 26 C H5 4.400 3.000 7.000 6.172 6.043 6.421 . 0 0 "[ . 1 . ]" 1
475 1 25 C H5 1 26 C H6 4.400 3.000 7.000 6.730 6.432 6.965 . 0 0 "[ . 1 . ]" 1
476 1 25 C H2' 1 26 C H5 4.400 . 7.000 2.334 2.188 2.554 . 0 0 "[ . 1 . ]" 1
477 1 25 C H3' 1 26 C H6 4.400 . 7.000 4.162 4.024 4.394 . 0 0 "[ . 1 . ]" 1
478 1 25 C H3' 1 26 C H5 4.400 3.000 7.000 4.318 4.068 4.722 . 0 0 "[ . 1 . ]" 1
479 1 1 G H1 1 26 C H41 3.900 . 6.000 2.729 1.882 3.555 . 0 0 "[ . 1 . ]" 1
480 1 1 G H1 1 26 C H42 3.900 . 6.000 4.249 3.486 4.943 . 0 0 "[ . 1 . ]" 1
481 1 1 G H1 1 2 G H1' 3.900 . 6.000 5.338 4.840 5.819 . 0 0 "[ . 1 . ]" 1
482 1 2 G H1 1 25 C H41 3.900 . 6.000 2.642 1.845 3.452 . 0 0 "[ . 1 . ]" 1
483 1 2 G H1 1 25 C H42 3.900 . 6.000 4.174 3.478 4.837 . 0 0 "[ . 1 . ]" 1
484 1 2 G H1 1 3 A H1' 3.900 . 6.000 5.402 4.455 6.021 0.021 17 0 "[ . 1 . ]" 1
485 1 2 G H1 1 3 A H2 3.900 . 6.000 5.099 4.520 5.460 . 0 0 "[ . 1 . ]" 1
486 1 2 G H1 1 26 C H1' 3.900 . 6.000 5.625 5.177 6.004 0.004 16 0 "[ . 1 . ]" 1
487 1 2 G H1 1 25 C H5 3.900 . 6.000 5.200 4.813 5.495 . 0 0 "[ . 1 . ]" 1
488 1 2 G H1 1 26 C H5 3.900 . 6.000 5.204 3.934 5.915 . 0 0 "[ . 1 . ]" 1
489 1 2 G H1 1 26 C H41 3.900 . 6.000 4.206 3.537 4.861 . 0 0 "[ . 1 . ]" 1
490 1 2 G H1 1 3 A H61 3.900 . 6.000 4.625 3.625 5.570 . 0 0 "[ . 1 . ]" 1
491 1 2 G H1 1 24 U H3 3.900 . 6.000 5.055 4.403 5.319 . 0 0 "[ . 1 . ]" 1
492 1 7 G H1 1 7 G H22 3.900 . 6.000 3.485 3.483 3.487 . 0 0 "[ . 1 . ]" 1
493 1 7 G H1 1 7 G H21 3.900 . 6.000 2.218 2.215 2.219 . 0 0 "[ . 1 . ]" 1
494 1 7 G H1 1 20 A H61 3.900 . 6.000 5.792 5.424 6.020 0.020 2 0 "[ . 1 . ]" 1
495 1 7 G H1 1 20 A H62 3.900 . 6.000 4.393 4.105 4.597 . 0 0 "[ . 1 . ]" 1
496 1 6 C H41 1 21 G H1 3.900 . 6.000 2.874 1.984 3.443 . 0 0 "[ . 1 . ]" 1
497 1 21 G H1 1 21 G H21 3.900 . 6.000 2.218 2.216 2.220 . 0 0 "[ . 1 . ]" 1
498 1 21 G H1 1 21 G H22 3.900 . 6.000 3.485 3.484 3.487 . 0 0 "[ . 1 . ]" 1
499 1 7 G H1' 1 21 G H1 3.900 . 6.000 3.580 2.671 4.086 . 0 0 "[ . 1 . ]" 1
500 1 6 C H42 1 21 G H1 3.900 . 6.000 4.362 3.598 4.833 . 0 0 "[ . 1 . ]" 1
501 1 20 A H61 1 21 G H1 3.900 . 6.000 4.006 3.428 4.313 . 0 0 "[ . 1 . ]" 1
502 1 20 A H62 1 21 G H1 3.900 . 6.000 4.176 3.707 4.747 . 0 0 "[ . 1 . ]" 1
503 1 21 G H1 1 22 U H1' 3.900 . 6.000 4.757 3.564 5.608 . 0 0 "[ . 1 . ]" 1
504 1 5 A H2 1 21 G H1 3.900 . 6.000 4.932 4.657 5.273 . 0 0 "[ . 1 . ]" 1
505 1 21 G H1 1 22 U H5 3.900 . 6.000 5.489 4.953 5.994 . 0 0 "[ . 1 . ]" 1
506 1 5 A H2 1 22 U H3 3.900 . 6.000 3.033 2.403 3.395 . 0 0 "[ . 1 . ]" 1
507 1 5 A H61 1 22 U H3 3.900 . 6.000 2.211 1.795 2.882 0.005 13 0 "[ . 1 . ]" 1
508 1 5 A H62 1 22 U H3 3.900 3.400 4.400 3.764 3.401 4.359 . 0 0 "[ . 1 . ]" 1
509 1 22 U H3 1 22 U H5 3.900 . 6.000 4.215 4.215 4.217 . 0 0 "[ . 1 . ]" 1
510 1 22 U H3 1 23 G H1' 3.900 . 6.000 5.972 5.693 6.009 0.009 10 0 "[ . 1 . ]" 1
511 1 6 C H42 1 22 U H3 3.900 . 6.000 4.859 4.049 5.557 . 0 0 "[ . 1 . ]" 1
512 1 4 C H41 1 22 U H3 3.900 . 6.000 4.886 4.681 4.992 . 0 0 "[ . 1 . ]" 1
513 1 21 G H21 1 22 U H3 3.900 . 6.000 5.092 4.662 5.583 . 0 0 "[ . 1 . ]" 1
514 1 4 C H42 1 22 U H3 3.900 . 6.000 5.986 5.842 6.014 0.014 11 0 "[ . 1 . ]" 1
515 1 22 U H3 1 23 G H1 3.900 . 6.000 4.994 4.682 5.294 . 0 0 "[ . 1 . ]" 1
516 1 21 G H1 1 22 U H3 3.900 . 6.000 3.949 3.673 4.172 . 0 0 "[ . 1 . ]" 1
517 1 22 U H1' 1 22 U H3 3.900 . 6.000 4.607 4.525 4.669 . 0 0 "[ . 1 . ]" 1
518 1 23 G H1 1 23 G H21 3.900 . 6.000 2.218 2.216 2.220 . 0 0 "[ . 1 . ]" 1
519 1 23 G H1 1 23 G H22 3.900 . 6.000 3.485 3.483 3.487 . 0 0 "[ . 1 . ]" 1
520 1 4 C H42 1 23 G H1 3.900 . 6.000 3.662 3.391 4.418 . 0 0 "[ . 1 . ]" 1
521 1 23 G H1 1 24 U H1' 3.900 . 6.000 5.429 4.647 6.009 0.009 15 0 "[ . 1 . ]" 1
522 1 3 A H2 1 23 G H1 3.900 . 6.000 4.866 4.398 5.552 . 0 0 "[ . 1 . ]" 1
523 1 4 C H5 1 23 G H1 3.900 . 6.000 4.885 4.687 5.333 . 0 0 "[ . 1 . ]" 1
524 1 5 A H2 1 23 G H1 3.900 . 6.000 5.151 4.632 5.495 . 0 0 "[ . 1 . ]" 1
525 1 5 A H62 1 23 G H1 3.900 . 6.000 4.138 3.467 4.597 . 0 0 "[ . 1 . ]" 1
526 1 4 C H41 1 23 G H1 3.900 . 6.000 2.071 1.787 2.924 0.013 11 0 "[ . 1 . ]" 1
527 1 5 A H1' 1 23 G H1 3.900 . 6.000 5.342 4.367 5.982 . 0 0 "[ . 1 . ]" 1
528 1 5 A H61 1 23 G H1 3.900 . 6.000 4.464 3.919 4.950 . 0 0 "[ . 1 . ]" 1
529 1 23 G H1 1 24 U H3 3.900 . 6.000 3.975 3.652 4.339 . 0 0 "[ . 1 . ]" 1
530 1 3 A H2 1 24 U H3 3.900 . 6.000 3.030 2.215 3.520 . 0 0 "[ . 1 . ]" 1
531 1 24 U H3 1 25 C H41 3.900 . 6.000 4.414 3.818 5.269 . 0 0 "[ . 1 . ]" 1
532 1 4 C H41 1 24 U H3 3.900 . 6.000 4.591 3.940 5.460 . 0 0 "[ . 1 . ]" 1
533 1 23 G H21 1 24 U H3 3.900 . 6.000 4.441 3.869 5.104 . 0 0 "[ . 1 . ]" 1
534 1 3 A H61 1 24 U H3 3.900 . 6.000 2.253 1.791 3.273 0.009 2 0 "[ . 1 . ]" 1
535 1 24 U H3 1 25 C H42 3.900 . 6.000 4.163 3.320 5.492 . 0 0 "[ . 1 . ]" 1
536 1 3 A H62 1 24 U H3 3.900 . 6.000 3.807 3.400 4.690 . 0 0 "[ . 1 . ]" 1
537 1 24 U H3 1 25 C H5 3.900 . 6.000 3.973 3.361 5.251 . 0 0 "[ . 1 . ]" 1
538 1 24 U H1' 1 24 U H3 3.900 . 6.000 4.572 4.521 4.642 . 0 0 "[ . 1 . ]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 16
_Distance_constraint_stats_list.Viol_count 19
_Distance_constraint_stats_list.Viol_total 3.369
_Distance_constraint_stats_list.Viol_max 0.026
_Distance_constraint_stats_list.Viol_rms 0.0032
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0007
_Distance_constraint_stats_list.Viol_average_violations_only 0.0104
_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 A 0.135 0.023 9 0 "[ . 1 . ]"
1 4 C 0.025 0.010 9 0 "[ . 1 . ]"
1 5 A 0.051 0.026 16 0 "[ . 1 . ]"
1 6 C 0.026 0.026 16 0 "[ . 1 . ]"
1 7 G 0.012 0.008 3 0 "[ . 1 . ]"
1 8 A 0.000 0.000 . 0 "[ . 1 . ]"
1 20 A 0.012 0.008 3 0 "[ . 1 . ]"
1 21 G 0.000 0.000 . 0 "[ . 1 . ]"
1 23 G 0.000 0.000 . 0 "[ . 1 . ]"
1 24 U 0.000 0.000 . 0 "[ . 1 . ]"
1 25 C 0.135 0.023 9 0 "[ . 1 . ]"
1 26 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 25 C H41 1 26 C N4 6.200 3.100 9.300 4.282 3.449 4.902 . 0 0 "[ . 1 . ]" 2
2 1 25 C N4 1 26 C H41 6.200 3.100 9.300 4.383 3.680 4.899 . 0 0 "[ . 1 . ]" 2
3 1 3 A N6 1 25 C H41 6.200 3.100 9.300 3.466 3.077 4.961 0.023 9 0 "[ . 1 . ]" 2
4 1 5 A N6 1 6 C H42 6.200 3.100 9.300 3.471 3.074 4.201 0.026 16 0 "[ . 1 . ]" 2
5 1 3 A N6 1 4 C H41 6.200 3.100 9.300 4.310 3.576 5.022 . 0 0 "[ . 1 . ]" 2
6 1 4 C H41 1 5 A N6 6.200 3.100 9.300 3.295 3.090 3.759 0.010 9 0 "[ . 1 . ]" 2
7 1 3 A N6 1 4 C H42 6.200 3.100 9.300 4.372 3.436 5.570 . 0 0 "[ . 1 . ]" 2
8 1 4 C H42 1 5 A N6 6.200 3.100 9.300 3.876 3.617 4.381 . 0 0 "[ . 1 . ]" 2
9 1 8 A H8 1 20 A N6 6.200 3.100 9.300 4.283 3.868 4.662 . 0 0 "[ . 1 . ]" 2
10 1 7 G H1' 1 20 A N6 6.200 3.100 9.300 3.228 3.092 3.480 0.008 3 0 "[ . 1 . ]" 2
11 1 7 G H2' 1 20 A N6 6.200 3.100 9.300 3.355 3.140 3.842 . 0 0 "[ . 1 . ]" 2
12 1 8 A N6 1 20 A H1' 6.200 3.100 9.300 3.774 3.165 4.225 . 0 0 "[ . 1 . ]" 2
13 1 23 G N2 1 24 U H1' 6.200 3.100 9.300 3.664 3.193 4.535 . 0 0 "[ . 1 . ]" 2
14 1 5 A H1' 1 23 G N2 6.200 3.100 9.300 4.024 3.283 4.763 . 0 0 "[ . 1 . ]" 2
15 1 7 G H1' 1 21 G N2 6.200 3.100 9.300 3.735 3.236 4.638 . 0 0 "[ . 1 . ]" 2
16 1 8 A H1' 1 20 A N6 6.200 3.100 9.300 5.900 5.137 6.450 . 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 47
_Distance_constraint_stats_list.Viol_count 52
_Distance_constraint_stats_list.Viol_total 5.271
_Distance_constraint_stats_list.Viol_max 0.036
_Distance_constraint_stats_list.Viol_rms 0.0024
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0004
_Distance_constraint_stats_list.Viol_average_violations_only 0.0060
_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 0.044 0.011 6 0 "[ . 1 . ]"
1 2 G 0.054 0.028 5 0 "[ . 1 . ]"
1 3 A 0.011 0.008 13 0 "[ . 1 . ]"
1 4 C 0.012 0.006 7 0 "[ . 1 . ]"
1 5 A 0.030 0.008 14 0 "[ . 1 . ]"
1 6 C 0.025 0.010 11 0 "[ . 1 . ]"
1 7 G 0.051 0.029 16 0 "[ . 1 . ]"
1 8 A 0.028 0.010 12 0 "[ . 1 . ]"
1 9 A 0.053 0.036 1 0 "[ . 1 . ]"
1 17 A 0.053 0.036 1 0 "[ . 1 . ]"
1 18 G 0.018 0.009 6 0 "[ . 1 . ]"
1 19 U 0.012 0.010 12 0 "[ . 1 . ]"
1 20 A 0.051 0.029 16 0 "[ . 1 . ]"
1 21 G 0.025 0.010 11 0 "[ . 1 . ]"
1 22 U 0.030 0.008 14 0 "[ . 1 . ]"
1 23 G 0.012 0.006 7 0 "[ . 1 . ]"
1 24 U 0.011 0.008 13 0 "[ . 1 . ]"
1 25 C 0.054 0.028 5 0 "[ . 1 . ]"
1 26 C 0.044 0.011 6 0 "[ . 1 . ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 G H1 1 26 C N3 2.000 . 2.200 2.080 1.936 2.203 0.003 11 0 "[ . 1 . ]" 3
2 1 1 G N1 1 26 C N3 2.900 2.600 3.200 3.069 2.913 3.176 . 0 0 "[ . 1 . ]" 3
3 1 1 G O6 1 26 C H41 2.000 . 2.200 2.100 1.824 2.207 0.007 7 0 "[ . 1 . ]" 3
4 1 1 G O6 1 26 C N4 2.900 2.600 3.200 3.086 2.790 3.211 0.011 6 0 "[ . 1 . ]" 3
5 1 1 G H21 1 26 C O2 2.000 . 2.200 1.951 1.793 2.203 0.007 14 0 "[ . 1 . ]" 3
6 1 1 G N2 1 26 C O2 2.900 2.600 3.200 2.941 2.757 3.138 . 0 0 "[ . 1 . ]" 3
7 1 2 G H1 1 25 C N3 2.000 . 2.200 2.072 2.013 2.171 . 0 0 "[ . 1 . ]" 3
8 1 2 G N1 1 25 C N3 2.900 2.600 3.200 3.058 3.010 3.181 . 0 0 "[ . 1 . ]" 3
9 1 2 G O6 1 25 C H41 2.000 . 2.200 2.129 1.926 2.206 0.006 5 0 "[ . 1 . ]" 3
10 1 2 G O6 1 25 C N4 2.900 2.600 3.200 3.116 2.844 3.204 0.004 3 0 "[ . 1 . ]" 3
11 1 2 G H21 1 25 C O2 2.000 . 2.200 1.907 1.772 2.196 0.028 5 0 "[ . 1 . ]" 3
12 1 2 G N2 1 25 C O2 2.900 2.600 3.200 2.886 2.716 3.150 . 0 0 "[ . 1 . ]" 3
13 1 3 A N1 1 24 U H3 2.000 . 2.200 1.973 1.804 2.172 . 0 0 "[ . 1 . ]" 3
14 1 3 A N1 1 24 U N3 2.900 2.600 3.200 2.946 2.747 3.139 . 0 0 "[ . 1 . ]" 3
15 1 3 A H61 1 24 U O4 2.000 . 2.200 2.049 1.798 2.208 0.008 13 0 "[ . 1 . ]" 3
16 1 3 A N6 1 24 U O4 2.900 2.600 3.200 3.032 2.764 3.199 . 0 0 "[ . 1 . ]" 3
17 1 4 C N3 1 23 G H1 2.000 . 2.200 2.011 1.884 2.206 0.006 7 0 "[ . 1 . ]" 3
18 1 4 C N3 1 23 G N1 2.900 2.600 3.200 2.989 2.857 3.169 . 0 0 "[ . 1 . ]" 3
19 1 4 C H41 1 23 G O6 2.000 . 2.200 1.898 1.798 2.200 0.002 13 0 "[ . 1 . ]" 3
20 1 4 C N4 1 23 G O6 2.900 2.600 3.200 2.876 2.772 3.186 . 0 0 "[ . 1 . ]" 3
21 1 4 C O2 1 23 G H21 2.000 . 2.200 2.018 1.820 2.202 0.002 13 0 "[ . 1 . ]" 3
22 1 4 C O2 1 23 G N2 2.900 2.600 3.200 2.976 2.748 3.201 0.001 13 0 "[ . 1 . ]" 3
23 1 5 A N1 1 22 U H3 2.000 . 2.200 1.925 1.792 2.164 0.008 14 0 "[ . 1 . ]" 3
24 1 5 A N1 1 22 U N3 2.900 2.600 3.200 2.909 2.743 3.141 . 0 0 "[ . 1 . ]" 3
25 1 5 A H61 1 22 U O4 2.000 . 2.200 1.957 1.793 2.199 0.007 7 0 "[ . 1 . ]" 3
26 1 5 A N6 1 22 U O4 2.900 2.600 3.200 2.949 2.741 3.193 . 0 0 "[ . 1 . ]" 3
27 1 6 C N3 1 21 G H1 2.000 . 2.200 2.073 1.974 2.194 . 0 0 "[ . 1 . ]" 3
28 1 6 C N3 1 21 G N1 2.900 2.600 3.200 3.047 2.953 3.149 . 0 0 "[ . 1 . ]" 3
29 1 6 C H41 1 21 G O6 2.000 . 2.200 2.109 1.903 2.210 0.010 11 0 "[ . 1 . ]" 3
30 1 6 C N4 1 21 G O6 2.900 2.600 3.200 3.078 2.892 3.162 . 0 0 "[ . 1 . ]" 3
31 1 6 C O2 1 21 G H21 2.000 . 2.200 1.932 1.790 2.086 0.010 14 0 "[ . 1 . ]" 3
32 1 6 C O2 1 21 G N2 2.900 2.600 3.200 2.909 2.751 3.078 . 0 0 "[ . 1 . ]" 3
33 1 7 G N3 1 20 A H62 2.300 . 2.300 2.028 1.843 2.234 . 0 0 "[ . 1 . ]" 3
34 1 7 G N3 1 20 A N6 3.300 . 3.300 2.700 2.405 2.954 . 0 0 "[ . 1 . ]" 3
35 1 7 G H22 1 20 A N7 2.300 . 2.300 2.218 1.921 2.329 0.029 16 0 "[ . 1 . ]" 3
36 1 7 G N2 1 20 A N7 3.300 . 3.300 3.097 2.687 3.238 . 0 0 "[ . 1 . ]" 3
37 1 8 A N7 1 19 U H3 2.300 . 2.300 2.062 1.689 2.297 . 0 0 "[ . 1 . ]" 3
38 1 8 A N7 1 19 U N3 3.300 . 3.300 3.032 2.571 3.301 0.001 2 0 "[ . 1 . ]" 3
39 1 8 A H62 1 19 U O2 2.300 . 2.300 1.959 1.550 2.310 0.010 12 0 "[ . 1 . ]" 3
40 1 8 A N6 1 19 U O2 3.300 . 3.300 2.889 2.441 3.254 . 0 0 "[ . 1 . ]" 3
41 1 18 G H22 1 19 U O4 2.300 . 2.300 2.054 1.634 2.293 . 0 0 "[ . 1 . ]" 3
42 1 18 G N2 1 19 U O4 3.300 . 3.300 3.036 2.628 3.301 0.001 5 0 "[ . 1 . ]" 3
43 1 8 A P 1 18 G N2 4.000 3.000 4.500 4.080 3.483 4.509 0.009 6 0 "[ . 1 . ]" 3
44 1 9 A N7 1 17 A H62 2.300 . 2.300 1.906 1.494 2.288 . 0 0 "[ . 1 . ]" 3
45 1 9 A N7 1 17 A N6 3.300 . 3.300 2.628 2.394 3.243 . 0 0 "[ . 1 . ]" 3
46 1 9 A H62 1 17 A N7 2.300 . 2.300 2.059 1.639 2.336 0.036 1 0 "[ . 1 . ]" 3
47 1 9 A N6 1 17 A N7 3.300 . 3.300 2.890 2.484 3.250 . 0 0 "[ . 1 . ]" 3
stop_
save_
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