Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
560530 | 2lbr RC | 17573 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2lbr
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 271
_Distance_constraint_stats_list.Viol_count 414
_Distance_constraint_stats_list.Viol_total 657.650
_Distance_constraint_stats_list.Viol_max 1.366
_Distance_constraint_stats_list.Viol_rms 0.1337
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0379
_Distance_constraint_stats_list.Viol_average_violations_only 0.1986
_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 3.435 0.474 3 0 "[ . ]"
1 2 G 24.684 1.261 5 8 [****+**-]
1 3 G 36.114 1.366 7 8 [**-***+*]
1 4 G 21.463 1.366 7 8 [*-****+*]
1 5 A 2.963 0.149 8 0 "[ . ]"
1 6 C 4.635 0.911 3 1 "[ + . ]"
1 7 U 3.096 0.288 7 0 "[ . ]"
1 8 G 7.722 0.577 6 1 "[ .+ ]"
1 9 U 4.607 0.577 6 1 "[ .+ ]"
1 10 A 1.812 0.174 3 0 "[ . ]"
1 11 6IA 3.398 0.190 7 0 "[ . ]"
1 12 A 7.139 0.911 3 1 "[ + . ]"
1 13 PSU 10.598 0.522 7 3 "[ -* . + ]"
1 14 C 5.390 0.262 7 0 "[ . ]"
1 15 C 7.156 0.501 2 1 "[ + . ]"
1 16 C 5.570 0.451 5 0 "[ . ]"
1 17 C 5.462 0.575 2 3 "[ + . *-]"
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 17 C H42 5.000 . 5.000 3.444 3.404 3.485 . 0 0 "[ . ]" 1
2 1 1 G H1 1 17 C H41 5.000 . 5.000 1.820 1.780 1.860 0.020 7 0 "[ . ]" 1
3 1 1 G H1 1 17 C H6 6.000 . 6.000 5.791 5.782 5.810 . 0 0 "[ . ]" 1
4 1 1 G H1 1 17 C H5 6.000 . 6.000 4.771 4.749 4.805 . 0 0 "[ . ]" 1
5 1 2 G H1 1 3 G H1 6.000 . 6.000 3.406 3.121 3.559 . 0 0 "[ . ]" 1
6 1 2 G H1 1 17 C H42 5.000 . 5.000 4.636 4.399 5.028 0.028 6 0 "[ . ]" 1
7 1 2 G H1 1 16 C H42 4.000 . 4.000 3.775 3.418 3.995 . 0 0 "[ . ]" 1
8 1 2 G H1 1 16 C H41 4.000 . 4.000 2.268 1.817 2.540 . 0 0 "[ . ]" 1
9 1 2 G H1 1 16 C H6 6.000 . 6.000 5.624 5.560 5.762 . 0 0 "[ . ]" 1
10 1 2 G H1 1 16 C H5 6.000 . 6.000 4.844 4.737 4.929 . 0 0 "[ . ]" 1
11 1 2 G H1 1 17 C H6 6.000 . 6.000 6.487 6.396 6.575 0.575 2 3 "[ + . *-]" 1
12 1 2 G H1 1 17 C H5 6.000 . 6.000 5.500 5.337 5.707 . 0 0 "[ . ]" 1
13 1 2 G H1 1 3 G H8 7.000 . 7.000 7.373 7.285 7.448 0.448 1 0 "[ . ]" 1
14 1 2 G H1 1 16 C H1' 7.000 . 7.000 5.268 5.009 5.728 . 0 0 "[ . ]" 1
15 1 1 G H1' 1 2 G H1 6.000 . 6.000 6.380 6.286 6.474 0.474 3 0 "[ . ]" 1
16 1 2 G H1 1 3 G H1' 6.000 . 6.000 6.279 6.173 6.362 0.362 3 0 "[ . ]" 1
17 1 3 G H1 1 4 G H1 6.000 . 6.000 3.323 3.250 3.397 . 0 0 "[ . ]" 1
18 1 3 G H1 1 16 C H41 6.000 . 6.000 3.661 2.828 4.049 . 0 0 "[ . ]" 1
19 1 3 G H1 1 15 C H42 5.000 . 5.000 3.370 3.354 3.381 . 0 0 "[ . ]" 1
20 1 3 G H1 1 15 C H41 5.000 . 5.000 1.773 1.752 1.787 0.048 4 0 "[ . ]" 1
21 1 3 G H1 1 15 C H6 6.000 . 6.000 5.763 5.740 5.783 . 0 0 "[ . ]" 1
22 1 3 G H1 1 15 C H5 6.000 . 6.000 4.713 4.702 4.726 . 0 0 "[ . ]" 1
23 1 3 G H1 1 16 C H6 6.000 . 6.000 6.335 6.219 6.451 0.451 5 0 "[ . ]" 1
24 1 3 G H1 1 16 C H5 6.000 . 6.000 5.552 5.110 5.764 . 0 0 "[ . ]" 1
25 1 3 G H1 1 4 G H8 7.000 . 7.000 7.282 7.240 7.314 0.314 1 0 "[ . ]" 1
26 1 3 G H1 1 15 C H1' 7.000 . 7.000 5.838 5.818 5.865 . 0 0 "[ . ]" 1
27 1 2 G H1' 1 3 G H1 6.000 . 6.000 7.061 6.837 7.261 1.261 5 8 [**-*+***] 1
28 1 3 G H1 1 4 G H1' 6.000 . 6.000 6.265 6.236 6.293 0.293 6 0 "[ . ]" 1
29 1 4 G H1 1 13 PSU HN3 7.000 . 7.000 4.372 4.077 4.635 . 0 0 "[ . ]" 1
30 1 4 G H1 1 15 C H42 5.000 . 5.000 3.723 3.605 3.844 . 0 0 "[ . ]" 1
31 1 4 G H1 1 15 C H41 6.000 . 6.000 2.838 2.751 2.926 . 0 0 "[ . ]" 1
32 1 4 G H1 1 14 C H42 5.000 . 5.000 3.383 3.367 3.393 . 0 0 "[ . ]" 1
33 1 4 G H1 1 14 C H41 5.000 . 5.000 1.763 1.746 1.779 0.054 8 0 "[ . ]" 1
34 1 4 G H1 1 14 C H5 6.000 . 6.000 4.772 4.762 4.784 . 0 0 "[ . ]" 1
35 1 4 G H1 1 14 C H6 6.000 . 6.000 5.852 5.832 5.870 . 0 0 "[ . ]" 1
36 1 4 G H1 1 15 C H5 6.000 . 6.000 5.131 5.061 5.217 . 0 0 "[ . ]" 1
37 1 4 G H1 1 15 C H6 6.000 . 6.000 6.451 6.402 6.501 0.501 2 1 "[ + . ]" 1
38 1 4 G H1 1 5 A H2 6.000 . 6.000 4.004 3.434 4.452 . 0 0 "[ . ]" 1
39 1 4 G H1 1 5 A H8 7.000 . 7.000 7.021 6.939 7.088 0.088 8 0 "[ . ]" 1
40 1 4 G H1 1 14 C H1' 7.000 . 7.000 5.955 5.922 6.005 . 0 0 "[ . ]" 1
41 1 3 G H1' 1 4 G H1 6.000 . 6.000 7.324 7.277 7.366 1.366 7 8 [****-*+*] 1
42 1 4 G H1 1 5 A H1' 6.000 . 6.000 5.966 5.549 6.081 0.081 7 0 "[ . ]" 1
43 1 5 A H2 1 13 PSU HN3 3.000 . 3.000 2.883 2.342 3.096 0.096 3 0 "[ . ]" 1
44 1 13 PSU HN3 1 14 C H41 7.000 . 7.000 3.399 2.999 3.643 . 0 0 "[ . ]" 1
45 1 13 PSU HN3 1 14 C H6 7.000 . 7.000 5.591 5.467 5.860 . 0 0 "[ . ]" 1
46 1 5 A H62 1 13 PSU HN3 5.000 . 5.000 4.613 4.411 5.036 0.036 8 0 "[ . ]" 1
47 1 13 PSU HN3 1 14 C H42 7.000 . 7.000 3.446 3.012 3.675 . 0 0 "[ . ]" 1
48 1 1 G H8 1 2 G H8 5.000 . 5.000 4.951 4.632 5.170 0.170 5 0 "[ . ]" 1
49 1 2 G H8 1 3 G H8 5.000 . 5.000 5.041 4.180 5.300 0.300 3 0 "[ . ]" 1
50 1 3 G H8 1 4 G H8 5.000 . 5.000 4.147 3.921 4.386 . 0 0 "[ . ]" 1
51 1 4 G H8 1 5 A H8 5.000 . 5.000 4.491 4.330 4.586 . 0 0 "[ . ]" 1
52 1 5 A H8 1 6 C H6 5.000 . 5.000 4.886 4.764 4.992 . 0 0 "[ . ]" 1
53 1 6 C H6 1 7 U H6 5.000 . 5.000 4.441 4.300 4.825 . 0 0 "[ . ]" 1
54 1 8 G H8 1 9 U H6 7.000 5.500 7.000 5.771 4.923 6.410 0.577 6 1 "[ .+ ]" 1
55 1 9 U H6 1 10 A H8 6.000 . 6.000 5.018 4.807 5.198 . 0 0 "[ . ]" 1
56 1 10 A H8 1 11 6IA H8 5.000 . 5.000 4.982 4.606 5.110 0.110 3 0 "[ . ]" 1
57 1 11 6IA H8 1 12 A H8 5.000 . 5.000 4.679 4.375 4.916 . 0 0 "[ . ]" 1
58 1 12 A H8 1 13 PSU H6 5.000 . 5.000 5.040 4.660 5.165 0.165 2 0 "[ . ]" 1
59 1 13 PSU H6 1 14 C H6 5.000 . 5.000 5.146 5.052 5.262 0.262 7 0 "[ . ]" 1
60 1 14 C H6 1 15 C H6 5.000 . 5.000 5.175 5.082 5.261 0.261 8 0 "[ . ]" 1
61 1 15 C H6 1 16 C H6 5.000 . 5.000 5.106 5.039 5.170 0.170 2 0 "[ . ]" 1
62 1 16 C H6 1 17 C H6 5.000 . 5.000 4.280 4.107 4.454 . 0 0 "[ . ]" 1
63 1 5 A H1' 1 5 A H2 7.000 . 7.000 4.731 4.723 4.743 . 0 0 "[ . ]" 1
64 1 5 A H2 1 6 C H1' 4.000 . 4.000 3.130 2.983 3.238 . 0 0 "[ . ]" 1
65 1 10 A H2 1 11 6IA H1' 5.000 . 5.000 3.140 2.750 4.168 . 0 0 "[ . ]" 1
66 1 11 6IA H2 1 12 A H1' 5.000 . 5.000 3.485 2.915 4.309 . 0 0 "[ . ]" 1
67 1 12 A H2 1 13 PSU H1' 5.000 . 5.000 5.044 4.985 5.081 0.081 3 0 "[ . ]" 1
68 1 6 C H5 1 6 C H6 3.000 . 3.000 2.452 2.451 2.452 . 0 0 "[ . ]" 1
69 1 5 A H8 1 6 C H5 5.000 . 5.000 4.537 4.367 4.693 . 0 0 "[ . ]" 1
70 1 7 U H5 1 7 U H6 3.000 . 3.000 2.428 2.427 2.428 . 0 0 "[ . ]" 1
71 1 9 U H5 1 9 U H6 3.000 . 3.000 2.427 2.426 2.428 . 0 0 "[ . ]" 1
72 1 13 PSU H1' 1 13 PSU H6 3.000 . 3.000 3.499 3.482 3.522 0.522 7 3 "[ -* . + ]" 1
73 1 13 PSU H6 1 14 C H5 6.000 . 6.000 3.717 3.527 3.924 . 0 0 "[ . ]" 1
74 1 14 C H5 1 14 C H6 3.000 . 3.000 2.452 2.451 2.453 . 0 0 "[ . ]" 1
75 1 14 C H6 1 15 C H5 6.000 . 6.000 3.451 3.331 3.596 . 0 0 "[ . ]" 1
76 1 16 C H5 1 16 C H6 3.000 . 3.000 2.452 2.451 2.452 . 0 0 "[ . ]" 1
77 1 15 C H6 1 16 C H5 6.000 . 6.000 3.624 3.280 3.825 . 0 0 "[ . ]" 1
78 1 16 C H6 1 17 C H5 6.000 . 6.000 2.698 2.571 2.778 . 0 0 "[ . ]" 1
79 1 17 C H5 1 17 C H6 3.000 . 3.000 2.452 2.451 2.452 . 0 0 "[ . ]" 1
80 1 1 G H1' 1 1 G H8 5.000 . 5.000 3.936 3.930 3.943 . 0 0 "[ . ]" 1
81 1 1 G H1' 1 2 G H8 5.000 . 5.000 4.017 3.869 4.168 . 0 0 "[ . ]" 1
82 1 2 G H1' 1 2 G H8 5.000 . 5.000 3.895 3.822 3.930 . 0 0 "[ . ]" 1
83 1 2 G H1' 1 3 G H8 5.000 . 5.000 4.429 3.918 4.981 . 0 0 "[ . ]" 1
84 1 3 G H1' 1 3 G H8 5.000 . 5.000 3.834 3.814 3.856 . 0 0 "[ . ]" 1
85 1 3 G H1' 1 4 G H8 5.000 . 5.000 4.948 4.863 5.027 0.027 2 0 "[ . ]" 1
86 1 4 G H1' 1 4 G H8 5.000 . 5.000 3.789 3.776 3.806 . 0 0 "[ . ]" 1
87 1 4 G H1' 1 5 A H8 5.000 . 5.000 5.051 4.982 5.111 0.111 2 0 "[ . ]" 1
88 1 5 A H1' 1 5 A H8 5.000 . 5.000 3.740 3.730 3.747 . 0 0 "[ . ]" 1
89 1 5 A H1' 1 6 C H6 5.000 . 5.000 5.024 4.959 5.071 0.071 2 0 "[ . ]" 1
90 1 6 C H1' 1 6 C H6 5.000 . 5.000 3.610 3.582 3.631 . 0 0 "[ . ]" 1
91 1 6 C H1' 1 7 U H6 7.000 . 7.000 5.512 5.222 5.615 . 0 0 "[ . ]" 1
92 1 7 U H1' 1 7 U H6 5.000 . 5.000 3.549 3.497 3.591 . 0 0 "[ . ]" 1
93 1 7 U H1' 1 8 G H8 8.000 4.500 8.000 6.182 5.939 6.602 . 0 0 "[ . ]" 1
94 1 8 G H1' 1 8 G H8 5.000 . 5.000 3.868 3.852 3.897 . 0 0 "[ . ]" 1
95 1 8 G H1' 1 9 U H6 6.000 . 6.000 5.586 5.149 6.260 0.260 1 0 "[ . ]" 1
96 1 9 U H1' 1 9 U H6 5.000 . 5.000 3.667 3.591 3.750 . 0 0 "[ . ]" 1
97 1 9 U H1' 1 10 A H8 7.000 . 7.000 5.724 5.303 6.052 . 0 0 "[ . ]" 1
98 1 10 A H1' 1 10 A H8 5.000 . 5.000 3.727 3.671 3.815 . 0 0 "[ . ]" 1
99 1 10 A H1' 1 11 6IA H8 6.000 . 6.000 5.310 5.102 5.502 . 0 0 "[ . ]" 1
100 1 11 6IA H1' 1 11 6IA H8 6.000 . 6.000 3.778 3.736 3.806 . 0 0 "[ . ]" 1
101 1 11 6IA H1' 1 12 A H8 6.000 . 6.000 5.072 4.941 5.446 . 0 0 "[ . ]" 1
102 1 12 A H1' 1 12 A H8 5.000 . 5.000 3.723 3.699 3.799 . 0 0 "[ . ]" 1
103 1 12 A H1' 1 13 PSU H6 7.000 . 7.000 4.995 4.895 5.081 . 0 0 "[ . ]" 1
104 1 13 PSU H1' 1 14 C H6 5.000 . 5.000 5.045 4.996 5.116 0.116 7 0 "[ . ]" 1
105 1 14 C H1' 1 14 C H6 5.000 . 5.000 3.478 3.455 3.496 . 0 0 "[ . ]" 1
106 1 14 C H1' 1 15 C H6 5.000 . 5.000 5.059 4.999 5.122 0.122 2 0 "[ . ]" 1
107 1 15 C H1' 1 15 C H6 5.000 . 5.000 3.493 3.474 3.507 . 0 0 "[ . ]" 1
108 1 15 C H1' 1 16 C H6 5.000 . 5.000 5.038 4.990 5.071 0.071 2 0 "[ . ]" 1
109 1 16 C H1' 1 16 C H6 5.000 . 5.000 3.628 3.599 3.648 . 0 0 "[ . ]" 1
110 1 16 C H1' 1 17 C H6 5.000 . 5.000 5.033 4.943 5.096 0.096 7 0 "[ . ]" 1
111 1 17 C H1' 1 17 C H6 5.000 . 5.000 3.576 3.521 3.707 . 0 0 "[ . ]" 1
112 1 1 G H2' 1 1 G H8 5.000 . 5.000 2.834 2.768 2.926 . 0 0 "[ . ]" 1
113 1 1 G H2' 1 2 G H8 5.000 . 5.000 2.272 2.255 2.290 . 0 0 "[ . ]" 1
114 1 2 G H2' 1 2 G H8 5.000 . 5.000 3.379 3.104 3.926 . 0 0 "[ . ]" 1
115 1 2 G H2' 1 3 G H8 5.000 . 5.000 2.231 2.163 2.409 . 0 0 "[ . ]" 1
116 1 3 G H2' 1 3 G H8 5.000 . 5.000 3.829 3.730 3.993 . 0 0 "[ . ]" 1
117 1 3 G H2' 1 4 G H8 5.000 . 5.000 2.450 2.376 2.527 . 0 0 "[ . ]" 1
118 1 4 G H2' 1 4 G H8 5.000 . 5.000 3.954 3.898 3.991 . 0 0 "[ . ]" 1
119 1 4 G H2' 1 5 A H8 5.000 . 5.000 2.471 2.396 2.520 . 0 0 "[ . ]" 1
120 1 5 A H2' 1 5 A H8 5.000 . 5.000 4.055 4.024 4.084 . 0 0 "[ . ]" 1
121 1 5 A H2' 1 6 C H6 5.000 . 5.000 2.371 2.337 2.415 . 0 0 "[ . ]" 1
122 1 6 C H2' 1 6 C H6 5.000 . 5.000 3.730 3.640 3.817 . 0 0 "[ . ]" 1
123 1 6 C H2' 1 7 U H6 5.000 . 5.000 3.024 2.577 3.200 . 0 0 "[ . ]" 1
124 1 7 U H2' 1 7 U H6 5.000 . 5.000 3.925 3.778 4.060 . 0 0 "[ . ]" 1
125 1 7 U H2' 1 8 G H8 7.000 . 7.000 3.466 3.186 3.903 . 0 0 "[ . ]" 1
126 1 8 G H2' 1 8 G H8 3.000 . 3.000 3.420 3.286 3.486 0.486 2 0 "[ . ]" 1
127 1 8 G H2' 1 9 U H6 5.000 . 5.000 3.770 3.088 5.028 0.028 6 0 "[ . ]" 1
128 1 9 U H2' 1 9 U H6 4.000 . 4.000 2.864 2.271 3.228 . 0 0 "[ . ]" 1
129 1 10 A H2' 1 10 A H8 5.000 . 5.000 4.065 3.830 4.193 . 0 0 "[ . ]" 1
130 1 10 A H2' 1 11 6IA H8 6.000 . 6.000 2.720 2.428 3.004 . 0 0 "[ . ]" 1
131 1 11 6IA H2' 1 11 6IA H8 5.000 . 5.000 3.978 3.875 4.113 . 0 0 "[ . ]" 1
132 1 11 6IA H2' 1 12 A H8 4.000 . 4.000 2.476 2.370 2.838 . 0 0 "[ . ]" 1
133 1 12 A H2' 1 12 A H8 5.000 . 5.000 4.134 3.966 4.185 . 0 0 "[ . ]" 1
134 1 12 A H2' 1 13 PSU H6 5.000 . 5.000 2.354 2.296 2.422 . 0 0 "[ . ]" 1
135 1 13 PSU H2' 1 13 PSU H6 5.000 . 5.000 4.050 4.001 4.074 . 0 0 "[ . ]" 1
136 1 13 PSU H2' 1 14 C H6 5.000 . 5.000 2.362 2.326 2.404 . 0 0 "[ . ]" 1
137 1 14 C H2' 1 14 C H6 5.000 . 5.000 4.075 4.047 4.114 . 0 0 "[ . ]" 1
138 1 14 C H2' 1 15 C H6 5.000 . 5.000 2.417 2.367 2.469 . 0 0 "[ . ]" 1
139 1 15 C H2' 1 15 C H6 5.000 . 5.000 4.050 4.016 4.092 . 0 0 "[ . ]" 1
140 1 16 C H2' 1 16 C H6 5.000 . 5.000 3.668 3.590 3.769 . 0 0 "[ . ]" 1
141 1 16 C H2' 1 17 C H6 5.000 . 5.000 2.405 2.308 2.472 . 0 0 "[ . ]" 1
142 1 17 C H2' 1 17 C H6 5.000 . 5.000 3.815 3.321 3.984 . 0 0 "[ . ]" 1
143 1 2 G H3' 1 2 G H8 4.000 . 4.000 2.644 2.560 2.815 . 0 0 "[ . ]" 1
144 1 2 G H3' 1 3 G H8 4.000 . 4.000 3.579 2.533 4.029 0.029 3 0 "[ . ]" 1
145 1 3 G H3' 1 3 G H8 4.000 . 4.000 2.680 2.562 2.977 . 0 0 "[ . ]" 1
146 1 3 G H3' 1 4 G H8 4.000 . 4.000 2.330 2.299 2.387 . 0 0 "[ . ]" 1
147 1 4 G H3' 1 4 G H8 4.000 . 4.000 3.052 2.914 3.139 . 0 0 "[ . ]" 1
148 1 4 G H3' 1 5 A H8 4.000 . 4.000 2.312 2.298 2.328 . 0 0 "[ . ]" 1
149 1 5 A H3' 1 5 A H8 4.000 . 4.000 3.291 3.216 3.370 . 0 0 "[ . ]" 1
150 1 5 A H3' 1 6 C H6 4.000 . 4.000 2.356 2.323 2.377 . 0 0 "[ . ]" 1
151 1 6 C H3' 1 6 C H6 4.000 . 4.000 2.847 2.722 3.011 . 0 0 "[ . ]" 1
152 1 6 C H3' 1 7 U H6 4.000 . 4.000 2.299 2.268 2.344 . 0 0 "[ . ]" 1
153 1 7 U H3' 1 7 U H6 5.000 . 5.000 3.004 2.829 3.150 . 0 0 "[ . ]" 1
154 1 7 U H3' 1 8 G H8 6.000 . 6.000 3.668 3.408 3.857 . 0 0 "[ . ]" 1
155 1 8 G H3' 1 8 G H8 4.000 . 4.000 2.633 2.324 2.783 . 0 0 "[ . ]" 1
156 1 8 G H3' 1 9 U H6 5.000 . 5.000 3.305 2.904 4.153 . 0 0 "[ . ]" 1
157 1 9 U H3' 1 9 U H6 4.000 . 4.000 4.226 4.019 4.406 0.406 5 0 "[ . ]" 1
158 1 9 U H3' 1 10 A H8 5.000 . 5.000 3.598 2.327 5.027 0.027 4 0 "[ . ]" 1
159 1 10 A H3' 1 10 A H8 5.000 . 5.000 3.319 2.998 3.530 . 0 0 "[ . ]" 1
160 1 10 A H3' 1 11 6IA H8 5.000 . 5.000 2.349 2.291 2.436 . 0 0 "[ . ]" 1
161 1 11 6IA H3' 1 11 6IA H8 5.000 . 5.000 2.967 2.746 3.166 . 0 0 "[ . ]" 1
162 1 11 6IA H3' 1 12 A H8 5.000 . 5.000 2.409 2.344 2.464 . 0 0 "[ . ]" 1
163 1 12 A H3' 1 12 A H8 4.000 . 4.000 3.176 2.670 3.374 . 0 0 "[ . ]" 1
164 1 12 A H3' 1 13 PSU H6 4.000 . 4.000 2.500 2.463 2.578 . 0 0 "[ . ]" 1
165 1 13 PSU H3' 1 13 PSU H6 4.000 . 4.000 3.342 3.248 3.451 . 0 0 "[ . ]" 1
166 1 13 PSU H3' 1 14 C H6 4.000 . 4.000 2.477 2.423 2.582 . 0 0 "[ . ]" 1
167 1 14 C H3' 1 14 C H6 4.000 . 4.000 3.370 3.336 3.424 . 0 0 "[ . ]" 1
168 1 14 C H3' 1 15 C H6 4.000 . 4.000 2.358 2.323 2.401 . 0 0 "[ . ]" 1
169 1 15 C H3' 1 15 C H6 4.000 . 4.000 3.293 3.255 3.329 . 0 0 "[ . ]" 1
170 1 15 C H3' 1 16 C H6 4.000 . 4.000 2.383 2.358 2.410 . 0 0 "[ . ]" 1
171 1 16 C H3' 1 16 C H6 4.000 . 4.000 2.776 2.623 2.894 . 0 0 "[ . ]" 1
172 1 16 C H3' 1 17 C H6 4.000 . 4.000 2.288 2.270 2.325 . 0 0 "[ . ]" 1
173 1 17 C H3' 1 17 C H6 4.000 . 4.000 3.001 2.426 3.237 . 0 0 "[ . ]" 1
174 1 2 G H4' 1 2 G H8 5.000 . 5.000 4.384 4.142 4.644 . 0 0 "[ . ]" 1
175 1 2 G H4' 1 3 G H8 5.000 . 5.000 5.264 5.039 5.409 0.409 8 0 "[ . ]" 1
176 1 3 G H4' 1 3 G H8 5.000 . 5.000 4.128 4.003 4.286 . 0 0 "[ . ]" 1
177 1 3 G H4' 1 4 G H8 5.000 . 5.000 5.104 5.080 5.133 0.133 8 0 "[ . ]" 1
178 1 4 G H4' 1 4 G H8 5.000 . 5.000 4.251 4.205 4.289 . 0 0 "[ . ]" 1
179 1 4 G H4' 1 5 A H8 5.000 . 5.000 5.101 5.070 5.149 0.149 8 0 "[ . ]" 1
180 1 5 A H4' 1 5 A H8 5.000 . 5.000 4.284 4.263 4.318 . 0 0 "[ . ]" 1
181 1 5 A H4' 1 6 C H6 5.000 . 5.000 5.061 4.988 5.103 0.103 3 0 "[ . ]" 1
182 1 6 C H4' 1 6 C H6 5.000 . 5.000 3.925 3.891 3.959 . 0 0 "[ . ]" 1
183 1 6 C H4' 1 7 U H6 5.000 2.800 5.000 5.174 4.990 5.230 0.230 3 0 "[ . ]" 1
184 1 7 U H4' 1 7 U H6 5.000 . 5.000 3.862 3.817 3.924 . 0 0 "[ . ]" 1
185 1 8 G H4' 1 8 G H8 5.000 . 5.000 4.292 4.229 4.353 . 0 0 "[ . ]" 1
186 1 8 G H4' 1 9 U H6 5.000 . 5.000 4.245 3.317 4.717 . 0 0 "[ . ]" 1
187 1 9 U H4' 1 9 U H6 5.000 . 5.000 4.065 3.789 4.462 . 0 0 "[ . ]" 1
188 1 9 U H4' 1 10 A H8 5.000 . 5.000 3.349 2.281 4.955 . 0 0 "[ . ]" 1
189 1 10 A H4' 1 10 A H8 5.000 . 5.000 4.308 4.272 4.391 . 0 0 "[ . ]" 1
190 1 10 A H4' 1 11 6IA H8 5.000 . 5.000 5.112 5.082 5.174 0.174 3 0 "[ . ]" 1
191 1 11 6IA H4' 1 11 6IA H8 5.000 . 5.000 4.105 4.043 4.252 . 0 0 "[ . ]" 1
192 1 11 6IA H4' 1 12 A H8 5.000 . 5.000 5.131 5.071 5.190 0.190 7 0 "[ . ]" 1
193 1 12 A H4' 1 12 A H8 5.000 . 5.000 4.154 3.966 4.230 . 0 0 "[ . ]" 1
194 1 12 A H4' 1 13 PSU H6 5.000 . 5.000 5.118 5.061 5.188 0.188 7 0 "[ . ]" 1
195 1 13 PSU H4' 1 13 PSU H6 5.000 . 5.000 4.195 4.182 4.207 . 0 0 "[ . ]" 1
196 1 13 PSU H4' 1 14 C H6 5.000 . 5.000 5.074 5.018 5.122 0.122 2 0 "[ . ]" 1
197 1 14 C H4' 1 14 C H6 5.000 . 5.000 4.097 4.072 4.119 . 0 0 "[ . ]" 1
198 1 14 C H4' 1 15 C H6 5.000 . 5.000 4.988 4.973 5.007 0.007 7 0 "[ . ]" 1
199 1 15 C H4' 1 15 C H6 5.000 . 5.000 4.027 3.995 4.058 . 0 0 "[ . ]" 1
200 1 15 C H4' 1 16 C H6 5.000 . 5.000 5.028 4.986 5.086 0.086 6 0 "[ . ]" 1
201 1 16 C H4' 1 16 C H6 5.000 . 5.000 3.995 3.966 4.032 . 0 0 "[ . ]" 1
202 1 16 C H4' 1 17 C H6 5.000 . 5.000 5.042 5.017 5.064 0.064 8 0 "[ . ]" 1
203 1 17 C H4' 1 17 C H6 5.000 . 5.000 4.087 4.032 4.144 . 0 0 "[ . ]" 1
204 1 2 G H5' 1 2 G H8 5.000 . 5.000 3.936 3.560 4.372 . 0 0 "[ . ]" 1
205 1 2 G H5'' 1 2 G H8 5.000 . 5.000 4.176 3.678 4.563 . 0 0 "[ . ]" 1
206 1 3 G H5' 1 3 G H8 5.000 . 5.000 3.644 3.418 3.895 . 0 0 "[ . ]" 1
207 1 3 G H5'' 1 3 G H8 5.000 . 5.000 3.589 3.408 3.915 . 0 0 "[ . ]" 1
208 1 4 G H5' 1 4 G H8 5.000 . 5.000 3.930 3.811 3.995 . 0 0 "[ . ]" 1
209 1 4 G H5'' 1 4 G H8 5.000 . 5.000 3.709 3.668 3.744 . 0 0 "[ . ]" 1
210 1 4 G H5' 1 5 A H8 6.000 . 6.000 5.993 5.960 6.021 0.021 5 0 "[ . ]" 1
211 1 4 G H5'' 1 5 A H8 5.000 . 5.000 4.624 4.535 4.725 . 0 0 "[ . ]" 1
212 1 5 A H5' 1 5 A H8 5.000 . 5.000 4.021 3.956 4.103 . 0 0 "[ . ]" 1
213 1 5 A H5'' 1 5 A H8 5.000 . 5.000 3.784 3.728 3.876 . 0 0 "[ . ]" 1
214 1 5 A H5' 1 6 C H6 6.000 . 6.000 6.023 5.987 6.045 0.045 3 0 "[ . ]" 1
215 1 5 A H5'' 1 6 C H6 5.000 . 5.000 4.635 4.576 4.674 . 0 0 "[ . ]" 1
216 1 6 C H5' 1 6 C H6 5.000 . 5.000 3.380 3.189 3.503 . 0 0 "[ . ]" 1
217 1 6 C H5'' 1 6 C H6 5.000 . 5.000 3.698 3.529 3.877 . 0 0 "[ . ]" 1
218 1 6 C H5' 1 7 U H6 6.000 . 6.000 5.846 5.763 6.002 0.002 7 0 "[ . ]" 1
219 1 6 C H5'' 1 7 U H6 6.000 . 6.000 4.623 4.369 4.984 . 0 0 "[ . ]" 1
220 1 7 U H5' 1 7 U H6 5.000 . 5.000 3.589 3.432 3.711 . 0 0 "[ . ]" 1
221 1 7 U H5'' 1 7 U H6 5.000 . 5.000 3.207 3.075 3.379 . 0 0 "[ . ]" 1
222 1 7 U H5' 1 8 G H8 7.000 . 7.000 7.212 7.042 7.288 0.288 7 0 "[ . ]" 1
223 1 7 U H5'' 1 8 G H8 7.000 . 7.000 5.736 5.563 5.856 . 0 0 "[ . ]" 1
224 1 8 G H5' 1 8 G H8 5.000 . 5.000 4.279 4.086 4.410 . 0 0 "[ . ]" 1
225 1 8 G H5'' 1 8 G H8 5.000 . 5.000 2.821 2.525 3.489 . 0 0 "[ . ]" 1
226 1 8 G H5' 1 9 U H6 5.000 . 5.000 4.779 2.545 5.271 0.271 3 0 "[ . ]" 1
227 1 8 G H5'' 1 9 U H6 5.000 . 5.000 4.715 2.683 5.199 0.199 1 0 "[ . ]" 1
228 1 9 U H5' 1 9 U H6 6.000 . 6.000 3.683 2.309 4.059 . 0 0 "[ . ]" 1
229 1 9 U H5'' 1 9 U H6 6.000 . 6.000 2.695 2.254 3.954 . 0 0 "[ . ]" 1
230 1 9 U H5' 1 10 A H8 5.000 . 5.000 3.546 2.362 5.078 0.078 2 0 "[ . ]" 1
231 1 9 U H5'' 1 10 A H8 5.000 . 5.000 3.614 2.320 4.459 . 0 0 "[ . ]" 1
232 1 10 A H5' 1 10 A H8 6.000 . 6.000 4.203 3.901 4.411 . 0 0 "[ . ]" 1
233 1 10 A H5'' 1 10 A H8 6.000 . 6.000 2.636 2.363 2.933 . 0 0 "[ . ]" 1
234 1 10 A H5' 1 11 6IA H8 5.000 . 5.000 4.918 4.329 5.091 0.091 6 0 "[ . ]" 1
235 1 10 A H5'' 1 11 6IA H8 5.000 . 5.000 4.644 4.211 5.104 0.104 8 0 "[ . ]" 1
236 1 11 6IA H5' 1 11 6IA H8 6.000 . 6.000 3.637 3.547 3.820 . 0 0 "[ . ]" 1
237 1 11 6IA H5'' 1 11 6IA H8 6.000 . 6.000 3.496 3.290 3.870 . 0 0 "[ . ]" 1
238 1 11 6IA H5' 1 12 A H8 6.000 . 6.000 6.083 6.040 6.133 0.133 7 0 "[ . ]" 1
239 1 11 6IA H5'' 1 12 A H8 5.000 . 5.000 4.734 4.695 4.763 . 0 0 "[ . ]" 1
240 1 12 A H5' 1 12 A H8 6.000 . 6.000 3.803 3.491 3.957 . 0 0 "[ . ]" 1
241 1 12 A H5'' 1 12 A H8 5.000 . 5.000 3.538 3.216 3.653 . 0 0 "[ . ]" 1
242 1 12 A H5' 1 13 PSU H6 6.000 . 6.000 6.146 6.103 6.250 0.250 3 0 "[ . ]" 1
243 1 12 A H5'' 1 13 PSU H6 5.000 . 5.000 4.782 4.720 4.970 . 0 0 "[ . ]" 1
244 1 13 PSU H5' 1 13 PSU H6 5.000 . 5.000 4.093 4.021 4.144 . 0 0 "[ . ]" 1
245 1 13 PSU H5'' 1 13 PSU H6 5.000 . 5.000 3.942 3.827 4.019 . 0 0 "[ . ]" 1
246 1 13 PSU H5' 1 14 C H6 6.000 . 6.000 6.131 6.092 6.186 0.186 7 0 "[ . ]" 1
247 1 13 PSU H5'' 1 14 C H6 5.000 . 5.000 4.777 4.712 4.834 . 0 0 "[ . ]" 1
248 1 14 C H5' 1 14 C H6 5.000 . 5.000 4.002 3.927 4.037 . 0 0 "[ . ]" 1
249 1 14 C H5'' 1 14 C H6 5.000 . 5.000 3.877 3.721 4.006 . 0 0 "[ . ]" 1
250 1 14 C H5' 1 15 C H6 6.000 . 6.000 5.994 5.934 6.017 0.017 6 0 "[ . ]" 1
251 1 14 C H5'' 1 15 C H6 5.000 . 5.000 4.615 4.529 4.668 . 0 0 "[ . ]" 1
252 1 15 C H5' 1 15 C H6 5.000 . 5.000 3.859 3.815 3.901 . 0 0 "[ . ]" 1
253 1 15 C H5'' 1 15 C H6 5.000 . 5.000 3.718 3.642 3.818 . 0 0 "[ . ]" 1
254 1 16 C H5' 1 16 C H6 5.000 . 5.000 3.363 3.223 3.585 . 0 0 "[ . ]" 1
255 1 16 C H5'' 1 16 C H6 5.000 . 5.000 3.973 3.914 4.022 . 0 0 "[ . ]" 1
256 1 16 C H5' 1 17 C H6 6.000 . 6.000 5.929 5.872 6.034 0.034 4 0 "[ . ]" 1
257 1 16 C H5'' 1 17 C H6 5.000 . 5.000 5.092 5.001 5.139 0.139 3 0 "[ . ]" 1
258 1 17 C H5' 1 17 C H6 5.000 . 5.000 3.731 2.937 4.129 . 0 0 "[ . ]" 1
259 1 17 C H5'' 1 17 C H6 5.000 . 5.000 3.971 3.766 4.257 . 0 0 "[ . ]" 1
260 1 7 U H1' 1 7 U H5' 7.000 . 7.000 4.990 4.938 5.057 . 0 0 "[ . ]" 1
261 1 7 U H1' 1 7 U H5'' 7.000 . 7.000 5.079 5.032 5.122 . 0 0 "[ . ]" 1
262 1 12 A H1' 1 12 A H5' 6.000 . 6.000 4.979 4.930 5.010 . 0 0 "[ . ]" 1
263 1 12 A H1' 1 12 A H5'' 6.000 . 6.000 5.133 5.106 5.177 . 0 0 "[ . ]" 1
264 1 11 6IA H121 1 12 A H2 6.000 . 6.000 4.816 3.855 5.129 . 0 0 "[ . ]" 1
265 1 11 6IA H122 1 12 A H2 6.000 . 6.000 5.541 3.440 5.962 . 0 0 "[ . ]" 1
266 1 11 6IA H2 1 12 A H2 5.000 . 5.000 4.100 3.736 4.365 . 0 0 "[ . ]" 1
267 1 11 6IA H121 1 11 6IA H2 7.000 . 7.000 5.872 5.759 6.376 . 0 0 "[ . ]" 1
268 1 11 6IA H122 1 11 6IA H2 7.000 . 7.000 5.889 5.805 5.944 . 0 0 "[ . ]" 1
269 1 6 C O2 1 12 A N1 5.000 3.500 5.000 3.438 3.113 3.777 0.387 6 0 "[ . ]" 1
270 1 6 C N3 1 12 A N6 5.000 3.500 5.000 5.100 4.664 5.911 0.911 3 1 "[ + . ]" 1
271 1 6 C O2 1 12 A N6 5.000 3.500 5.000 4.573 4.025 5.084 0.084 2 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 28
_Distance_constraint_stats_list.Viol_count 115
_Distance_constraint_stats_list.Viol_total 139.927
_Distance_constraint_stats_list.Viol_max 0.414
_Distance_constraint_stats_list.Viol_rms 0.1069
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0781
_Distance_constraint_stats_list.Viol_average_violations_only 0.1521
_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 4.055 0.394 2 0 "[ . ]"
1 2 G 2.193 0.230 5 0 "[ . ]"
1 3 G 6.105 0.353 8 0 "[ . ]"
1 4 G 4.555 0.414 2 0 "[ . ]"
1 5 A 0.584 0.119 7 0 "[ . ]"
1 13 PSU 0.584 0.119 7 0 "[ . ]"
1 14 C 4.555 0.414 2 0 "[ . ]"
1 15 C 6.105 0.353 8 0 "[ . ]"
1 16 C 2.193 0.230 5 0 "[ . ]"
1 17 C 4.055 0.394 2 0 "[ . ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 G O6 1 17 C H41 2.000 . 2.400 2.686 2.511 2.794 0.394 2 0 "[ . ]" 2
2 1 1 G O6 1 17 C N4 2.900 2.600 3.500 3.657 3.499 3.764 0.264 2 0 "[ . ]" 2
3 1 1 G H1 1 17 C N3 2.000 . 2.400 2.043 2.023 2.060 . 0 0 "[ . ]" 2
4 1 1 G N1 1 17 C N3 2.900 2.600 3.500 2.892 2.877 2.940 . 0 0 "[ . ]" 2
5 1 1 G H21 1 17 C O2 2.000 . 2.400 1.866 1.807 1.931 . 0 0 "[ . ]" 2
6 1 1 G N2 1 17 C O2 2.900 2.600 3.500 2.537 2.502 2.566 0.098 2 0 "[ . ]" 2
7 1 2 G O6 1 16 C H41 2.000 . 2.400 1.637 1.570 1.694 0.230 5 0 "[ . ]" 2
8 1 2 G O6 1 16 C N4 2.900 2.600 3.500 2.618 2.481 2.690 0.119 5 0 "[ . ]" 2
9 1 2 G H1 1 16 C N3 2.000 . 2.400 1.822 1.732 2.030 0.068 8 0 "[ . ]" 2
10 1 2 G N1 1 16 C N3 2.900 2.600 3.500 2.819 2.736 3.014 . 0 0 "[ . ]" 2
11 1 2 G H21 1 16 C O2 2.000 . 2.400 1.952 1.699 2.512 0.112 5 0 "[ . ]" 2
12 1 2 G N2 1 16 C O2 2.900 2.600 3.500 2.928 2.688 3.464 . 0 0 "[ . ]" 2
13 1 3 G O6 1 15 C H41 2.000 . 2.400 1.580 1.556 1.627 0.244 1 0 "[ . ]" 2
14 1 3 G O6 1 15 C N4 2.900 2.600 3.500 2.476 2.453 2.528 0.147 1 0 "[ . ]" 2
15 1 3 G H1 1 15 C N3 2.000 . 2.400 2.060 2.029 2.088 . 0 0 "[ . ]" 2
16 1 3 G N1 1 15 C N3 2.900 2.600 3.500 3.038 3.016 3.060 . 0 0 "[ . ]" 2
17 1 3 G H21 1 15 C O2 2.000 . 2.400 2.698 2.604 2.753 0.353 8 0 "[ . ]" 2
18 1 3 G N2 1 15 C O2 2.900 2.600 3.500 3.621 3.527 3.674 0.174 8 0 "[ . ]" 2
19 1 4 G O6 1 14 C H41 2.000 . 2.400 1.712 1.666 1.760 0.134 1 0 "[ . ]" 2
20 1 4 G O6 1 14 C N4 2.900 2.600 3.500 2.620 2.575 2.674 0.025 1 0 "[ . ]" 2
21 1 4 G H1 1 14 C N3 2.000 . 2.400 2.162 2.137 2.184 . 0 0 "[ . ]" 2
22 1 4 G N1 1 14 C N3 2.900 2.600 3.500 3.134 3.111 3.152 . 0 0 "[ . ]" 2
23 1 4 G H21 1 14 C O2 2.000 . 2.400 2.728 2.680 2.814 0.414 2 0 "[ . ]" 2
24 1 4 G N2 1 14 C O2 2.900 2.600 3.500 3.647 3.599 3.724 0.224 2 0 "[ . ]" 2
25 1 5 A H61 1 13 PSU O2 2.000 . 2.400 2.467 2.416 2.519 0.119 7 0 "[ . ]" 2
26 1 5 A N6 1 13 PSU O2 2.900 2.600 3.500 3.427 3.362 3.500 0.000 7 0 "[ . ]" 2
27 1 5 A N1 1 13 PSU HN3 2.000 . 2.400 2.388 2.358 2.420 0.020 4 0 "[ . ]" 2
28 1 5 A N1 1 13 PSU N3 2.900 2.600 3.500 3.364 3.274 3.395 . 0 0 "[ . ]" 2
stop_
save_