NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
545482 |
2lg3   |
17791 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2lg3
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 199
_Distance_constraint_stats_list.Viol_count 146
_Distance_constraint_stats_list.Viol_total 108.633
_Distance_constraint_stats_list.Viol_max 2.118
_Distance_constraint_stats_list.Viol_rms 0.5805
_Distance_constraint_stats_list.Viol_average_all_restraints 0.5459
_Distance_constraint_stats_list.Viol_average_violations_only 0.7441
_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 DG 5.931 1.567 1 1 [+]
1 2 DC 4.341 1.061 1 1 [+]
1 3 DT 5.387 2.092 1 1 [+]
1 4 DA 4.164 2.092 1 1 [+]
1 5 DG 4.888 2.041 1 1 [+]
1 6 DC 7.575 2.041 1 1 [+]
1 7 DG 4.885 0.985 1 1 [+]
1 8 DA 14.144 1.645 1 1 [+]
1 9 DG 7.490 1.910 1 1 [+]
1 10 DT 6.891 1.910 1 1 [+]
1 11 DC 7.218 1.460 1 1 [+]
1 12 DC 3.968 1.224 1 1 [+]
2 1 DG 3.786 1.176 1 1 [+]
2 2 DG 6.255 1.719 1 1 [+]
2 3 DA 5.649 1.719 1 1 [+]
2 4 DC 5.475 1.541 1 1 [+]
2 5 DT 16.412 1.912 1 1 [+]
2 6 DT 6.824 1.912 1 1 [+]
2 7 DG 6.627 1.919 1 1 [+]
2 8 DC 6.952 1.919 1 1 [+]
2 9 DT 5.637 1.531 1 1 [+]
2 10 DA 1.925 1.211 1 1 [+]
2 11 DG 2.196 1.050 1 1 [+]
2 12 DC 2.617 1.050 1 1 [+]
3 1 HND 20.824 2.118 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 DG H1' 1 1 DG Q2' . . 2.020 2.259 2.259 2.259 0.239 1 0 "[ ]" 1
2 1 1 DG H1' 1 1 DG H3' . . 2.500 3.930 3.930 3.930 1.430 1 1 [+] 1
3 1 1 DG H1' 1 1 DG H8 . . 2.340 3.907 3.907 3.907 1.567 1 1 [+] 1
4 1 1 DG H1' 1 2 DC H5 . . 3.420 4.393 4.393 4.393 0.973 1 1 [+] 1
5 1 1 DG H1' 1 2 DC H6 . . 2.950 3.325 3.325 3.325 0.375 1 0 "[ ]" 1
6 1 1 DG Q2' 1 1 DG H3' . . 2.180 2.219 2.219 2.219 0.039 1 0 "[ ]" 1
7 1 1 DG Q2' 1 1 DG H8 . . 1.740 2.230 2.230 2.230 0.490 1 0 "[ ]" 1
8 1 1 DG Q2' 1 2 DC H5 . . 3.210 3.271 3.271 3.271 0.061 1 0 "[ ]" 1
9 1 1 DG Q2' 1 2 DC H6 . . 2.420 2.382 2.382 2.382 . 0 0 "[ ]" 1
10 1 1 DG H8 1 2 DC H5 . . 3.540 3.878 3.878 3.878 0.338 1 0 "[ ]" 1
11 1 1 DG H8 1 2 DC H6 . . 4.490 4.909 4.909 4.909 0.419 1 0 "[ ]" 1
12 1 2 DC H1' 1 2 DC H6 . . 3.140 3.724 3.724 3.724 0.584 1 1 [+] 1
13 1 2 DC H1' 1 3 DT M7 . . 4.840 4.377 4.377 4.377 . 0 0 "[ ]" 1
14 1 2 DC Q2' 1 2 DC H3' . . 2.050 2.199 2.199 2.199 0.149 1 0 "[ ]" 1
15 1 2 DC Q2' 1 2 DC H6 . . 2.380 2.295 2.295 2.295 . 0 0 "[ ]" 1
16 1 2 DC Q2' 1 3 DT M7 . . 3.340 2.411 2.411 2.411 . 0 0 "[ ]" 1
17 1 2 DC H3' 1 2 DC H6 . . 2.710 3.771 3.771 3.771 1.061 1 1 [+] 1
18 1 2 DC H3' 1 3 DT M7 . . 3.980 4.266 4.266 4.266 0.286 1 0 "[ ]" 1
19 1 2 DC H5 1 3 DT M7 . . 3.410 2.954 2.954 2.954 . 0 0 "[ ]" 1
20 1 2 DC H6 1 3 DT M7 . . 2.870 2.964 2.964 2.964 0.094 1 0 "[ ]" 1
21 1 3 DT H1' 1 3 DT Q2' . . 1.880 2.282 2.282 2.282 0.402 1 0 "[ ]" 1
22 1 3 DT H1' 1 3 DT H3' . . 2.840 3.837 3.837 3.837 0.997 1 1 [+] 1
23 1 3 DT H1' 1 4 DA H8 . . 1.870 3.962 3.962 3.962 2.092 1 1 [+] 1
24 1 3 DT Q2' 1 4 DA H8 . . 1.860 2.167 2.167 2.167 0.307 1 0 "[ ]" 1
25 1 3 DT H3' 1 4 DA H8 . . 3.700 4.593 4.593 4.593 0.893 1 1 [+] 1
26 1 3 DT H6 1 4 DA H8 . . 3.700 4.016 4.016 4.016 0.316 1 0 "[ ]" 1
27 1 4 DA H1' 2 10 DA H2 . . 3.920 4.477 4.477 4.477 0.557 1 1 [+] 1
28 1 5 DG H1' 1 5 DG Q2' . . 3.180 2.341 2.341 2.341 . 0 0 "[ ]" 1
29 1 5 DG H1' 1 5 DG H3' . . 4.300 3.809 3.809 3.809 . 0 0 "[ ]" 1
30 1 5 DG H1' 1 5 DG H8 . . 2.820 3.899 3.899 3.899 1.079 1 1 [+] 1
31 1 5 DG H1' 1 6 DC H5 . . 2.980 4.259 4.259 4.259 1.279 1 1 [+] 1
32 1 5 DG H1' 1 6 DC H6 . . 2.960 3.295 3.295 3.295 0.335 1 0 "[ ]" 1
33 1 5 DG Q2' 1 5 DG H3' . . 2.630 2.207 2.207 2.207 . 0 0 "[ ]" 1
34 1 5 DG Q2' 1 5 DG H8 . . 2.680 2.417 2.417 2.417 . 0 0 "[ ]" 1
35 1 5 DG Q2' 1 6 DC H5 . . 2.690 2.845 2.845 2.845 0.155 1 0 "[ ]" 1
36 1 5 DG Q2' 1 6 DC H6 . . 2.640 2.240 2.240 2.240 . 0 0 "[ ]" 1
37 1 5 DG H8 1 6 DC H5 . . 1.940 3.981 3.981 3.981 2.041 1 1 [+] 1
38 1 6 DC H1' 1 6 DC Q2' . . 2.010 2.305 2.305 2.305 0.295 1 0 "[ ]" 1
39 1 6 DC H1' 1 6 DC H6 . . 1.980 3.710 3.710 3.710 1.730 1 1 [+] 1
40 1 6 DC H1' 1 7 DG H8 . . 3.760 4.562 4.562 4.562 0.802 1 1 [+] 1
41 1 6 DC Q2' 1 6 DC H5 . . 3.770 4.430 4.430 4.430 0.660 1 1 [+] 1
42 1 6 DC Q2' 1 6 DC H6 . . 2.140 2.419 2.419 2.419 0.279 1 0 "[ ]" 1
43 1 6 DC Q2' 1 7 DG H8 . . 3.280 3.066 3.066 3.066 . 0 0 "[ ]" 1
44 1 7 DG H1' 1 7 DG H2' . . 3.180 3.041 3.041 3.041 . 0 0 "[ ]" 1
45 1 7 DG H1' 1 7 DG H2'' . . 2.310 2.357 2.357 2.357 0.047 1 0 "[ ]" 1
46 1 7 DG H1' 1 7 DG H8 . . 3.230 3.897 3.897 3.897 0.667 1 1 [+] 1
47 1 7 DG H1' 1 8 DA H8 . . 3.350 4.180 4.180 4.180 0.830 1 1 [+] 1
48 1 7 DG H2' 1 7 DG H3' . . 2.420 2.284 2.284 2.284 . 0 0 "[ ]" 1
49 1 7 DG H2' 1 7 DG H8 . . 2.510 2.556 2.556 2.556 0.046 1 0 "[ ]" 1
50 1 7 DG H2' 1 8 DA H8 . . 3.380 2.934 2.934 2.934 . 0 0 "[ ]" 1
51 1 7 DG H2'' 1 8 DA H8 . . 2.770 2.348 2.348 2.348 . 0 0 "[ ]" 1
52 1 7 DG H3' 1 7 DG H8 . . 3.330 4.191 4.191 4.191 0.861 1 1 [+] 1
53 1 7 DG H3' 1 8 DA H8 . . 4.040 4.687 4.687 4.687 0.647 1 1 [+] 1
54 1 7 DG H8 1 8 DA H8 . . 3.590 4.575 4.575 4.575 0.985 1 1 [+] 1
55 1 8 DA H1' 1 8 DA H2 . . 3.790 4.508 4.508 4.508 0.718 1 1 [+] 1
56 1 8 DA H1' 1 8 DA H8 . . 3.180 3.903 3.903 3.903 0.723 1 1 [+] 1
57 1 8 DA H1' 1 9 DG H8 . . 3.710 3.782 3.782 3.782 0.072 1 0 "[ ]" 1
58 1 8 DA H2 1 9 DG H1' . . 3.500 3.174 3.174 3.174 . 0 0 "[ ]" 1
59 1 8 DA H2 3 1 HND H1 . . 3.710 4.897 4.897 4.897 1.187 1 1 [+] 1
60 1 8 DA H2 3 1 HND H2 . . 2.810 2.799 2.799 2.799 . 0 0 "[ ]" 1
61 1 8 DA H2 3 1 HND H2A . . 3.260 4.247 4.247 4.247 0.987 1 1 [+] 1
62 1 8 DA H2 3 1 HND H3 . . 3.650 5.295 5.295 5.295 1.645 1 1 [+] 1
63 1 8 DA H2 3 1 HND H4 . . 2.450 2.789 2.789 2.789 0.339 1 0 "[ ]" 1
64 1 8 DA H2 3 1 HND H5 . . 3.200 3.843 3.843 3.843 0.643 1 1 [+] 1
65 1 8 DA H2 3 1 HND H5A . . 3.270 3.577 3.577 3.577 0.307 1 0 "[ ]" 1
66 1 8 DA H2 3 1 HND H6 . . 3.770 5.327 5.327 5.327 1.557 1 1 [+] 1
67 1 8 DA Q2' 1 8 DA H8 . . 2.290 2.263 2.263 2.263 . 0 0 "[ ]" 1
68 1 8 DA Q2' 1 9 DG H8 . . 2.740 2.735 2.735 2.735 . 0 0 "[ ]" 1
69 1 8 DA H3' 1 8 DA H8 . . 3.310 4.422 4.422 4.422 1.112 1 1 [+] 1
70 1 8 DA H3' 1 9 DG H8 . . 3.930 5.520 5.520 5.520 1.590 1 1 [+] 1
71 1 8 DA H8 1 9 DG H8 . . 3.780 4.582 4.582 4.582 0.802 1 1 [+] 1
72 1 9 DG H1' 1 9 DG Q2' . . 1.820 2.253 2.253 2.253 0.433 1 0 "[ ]" 1
73 1 9 DG H1' 1 9 DG H3' . . 4.340 3.929 3.929 3.929 . 0 0 "[ ]" 1
74 1 9 DG H1' 1 9 DG H8 . . 3.120 3.637 3.637 3.637 0.517 1 1 [+] 1
75 1 9 DG H1' 1 10 DT H6 . . 2.960 4.870 4.870 4.870 1.910 1 1 [+] 1
76 1 9 DG H1' 1 10 DT M7 . . 3.110 4.513 4.513 4.513 1.403 1 1 [+] 1
77 1 9 DG Q2' 1 10 DT H6 . . 2.310 2.189 2.189 2.189 . 0 0 "[ ]" 1
78 1 9 DG Q2' 1 10 DT M7 . . 2.320 2.207 2.207 2.207 . 0 0 "[ ]" 1
79 1 9 DG H3' 1 10 DT M7 . . 2.670 3.099 3.099 3.099 0.429 1 0 "[ ]" 1
80 1 9 DG H8 1 10 DT M7 . . 3.070 3.405 3.405 3.405 0.335 1 0 "[ ]" 1
81 1 10 DT H1' 1 10 DT Q2' . . 2.870 2.320 2.320 2.320 . 0 0 "[ ]" 1
82 1 10 DT Q2' 1 10 DT H6 . . 2.040 2.178 2.178 2.178 0.138 1 0 "[ ]" 1
83 1 10 DT Q2' 1 11 DC H5 . . 1.900 2.710 2.710 2.710 0.810 1 1 [+] 1
84 1 10 DT H6 1 10 DT M7 . . 3.380 2.287 2.287 2.287 . 0 0 "[ ]" 1
85 1 10 DT H6 1 11 DC H5 . . 2.150 3.610 3.610 3.610 1.460 1 1 [+] 1
86 1 10 DT M7 1 11 DC H5 . . 3.400 3.807 3.807 3.807 0.407 1 0 "[ ]" 1
87 1 11 DC H1' 1 11 DC Q2' . . 1.790 2.333 2.333 2.333 0.543 1 1 [+] 1
88 1 11 DC H1' 1 12 DC H6 . . 2.290 2.925 2.925 2.925 0.635 1 1 [+] 1
89 1 11 DC H1' 2 3 DA H2 . . 3.600 4.275 4.275 4.275 0.675 1 1 [+] 1
90 1 11 DC Q2' 1 11 DC H3' . . 2.540 2.191 2.191 2.191 . 0 0 "[ ]" 1
91 1 11 DC Q2' 1 11 DC H5 . . 3.970 4.212 4.212 4.212 0.242 1 0 "[ ]" 1
92 1 11 DC H3' 1 12 DC H5 . . 3.970 5.194 5.194 5.194 1.224 1 1 [+] 1
93 1 11 DC H3' 1 12 DC H6 . . 3.630 4.852 4.852 4.852 1.222 1 1 [+] 1
94 1 12 DC H1' 1 12 DC Q2' . . 2.190 2.201 2.201 2.201 0.011 1 0 "[ ]" 1
95 1 12 DC H1' 1 12 DC H3' . . 4.060 3.901 3.901 3.901 . 0 0 "[ ]" 1
96 1 12 DC H1' 1 12 DC H6 . . 3.950 3.689 3.689 3.689 . 0 0 "[ ]" 1
97 1 12 DC Q2' 1 12 DC H3' . . 2.630 2.265 2.265 2.265 . 0 0 "[ ]" 1
98 1 12 DC Q2' 1 12 DC H6 . . 2.460 3.283 3.283 3.283 0.823 1 1 [+] 1
99 1 12 DC H3' 1 12 DC H5 . . 4.740 4.794 4.794 4.794 0.054 1 0 "[ ]" 1
100 1 12 DC H3' 1 12 DC H6 . . 2.680 2.662 2.662 2.662 . 0 0 "[ ]" 1
101 2 1 DG H1' 2 1 DG H2'' . . 2.360 2.336 2.336 2.336 . 0 0 "[ ]" 1
102 2 1 DG H1' 2 1 DG H3' . . 3.620 3.844 3.844 3.844 0.224 1 0 "[ ]" 1
103 2 1 DG H1' 2 1 DG H8 . . 3.040 3.862 3.862 3.862 0.822 1 1 [+] 1
104 2 1 DG H1' 2 2 DG H8 . . 3.480 4.196 4.196 4.196 0.716 1 1 [+] 1
105 2 1 DG H2' 2 1 DG H3' . . 2.200 2.338 2.338 2.338 0.138 1 0 "[ ]" 1
106 2 1 DG H3' 2 1 DG H8 . . 3.410 4.586 4.586 4.586 1.176 1 1 [+] 1
107 2 1 DG H3' 2 2 DG H8 . . 3.620 4.330 4.330 4.330 0.710 1 1 [+] 1
108 2 2 DG H1' 2 2 DG Q2' . . 1.880 2.316 2.316 2.316 0.436 1 0 "[ ]" 1
109 2 2 DG H1' 2 2 DG H3' . . 2.900 3.784 3.784 3.784 0.884 1 1 [+] 1
110 2 2 DG H1' 2 2 DG H8 . . 2.900 3.899 3.899 3.899 0.999 1 1 [+] 1
111 2 2 DG Q2' 2 2 DG H8 . . 1.570 2.360 2.360 2.360 0.790 1 1 [+] 1
112 2 2 DG H3' 2 2 DG H8 . . 5.260 4.492 4.492 4.492 . 0 0 "[ ]" 1
113 2 2 DG H8 2 3 DA H8 . . 3.340 5.059 5.059 5.059 1.719 1 1 [+] 1
114 2 3 DA H1' 2 3 DA H2 . . 3.980 4.458 4.458 4.458 0.478 1 0 "[ ]" 1
115 2 3 DA H1' 2 3 DA Q2' . . 2.250 2.302 2.302 2.302 0.052 1 0 "[ ]" 1
116 2 3 DA H1' 2 3 DA H3' . . 3.480 3.831 3.831 3.831 0.351 1 0 "[ ]" 1
117 2 3 DA H1' 2 3 DA H8 . . 3.370 3.904 3.904 3.904 0.534 1 1 [+] 1
118 2 3 DA H1' 2 4 DC H6 . . 3.080 3.318 3.318 3.318 0.238 1 0 "[ ]" 1
119 2 3 DA H2 2 4 DC H1' . . 3.290 3.994 3.994 3.994 0.704 1 1 [+] 1
120 2 3 DA Q2' 2 4 DC H5 . . 2.340 3.238 3.238 3.238 0.898 1 1 [+] 1
121 2 3 DA Q2' 2 4 DC H6 . . 2.330 2.275 2.275 2.275 . 0 0 "[ ]" 1
122 2 4 DC H1' 2 4 DC Q2' . . 2.000 2.318 2.318 2.318 0.318 1 0 "[ ]" 1
123 2 4 DC H1' 2 4 DC H6 . . 2.160 3.701 3.701 3.701 1.541 1 1 [+] 1
124 2 4 DC H1' 2 5 DT H6 . . 3.800 3.913 3.913 3.913 0.113 1 0 "[ ]" 1
125 2 4 DC H1' 2 5 DT M7 . . 2.620 4.028 4.028 4.028 1.408 1 1 [+] 1
126 2 4 DC Q2' 2 4 DC H6 . . 2.190 2.445 2.445 2.445 0.255 1 0 "[ ]" 1
127 2 4 DC H5 2 5 DT M7 . . 3.460 3.323 3.323 3.323 . 0 0 "[ ]" 1
128 2 4 DC H6 2 5 DT M7 . . 3.890 3.298 3.298 3.298 . 0 0 "[ ]" 1
129 2 5 DT H1' 2 5 DT Q2' . . 1.930 2.295 2.295 2.295 0.365 1 0 "[ ]" 1
130 2 5 DT H1' 2 5 DT H3' . . 2.010 3.821 3.821 3.821 1.811 1 1 [+] 1
131 2 5 DT H1' 2 5 DT H6 . . 2.620 3.756 3.756 3.756 1.136 1 1 [+] 1
132 2 5 DT H1' 2 6 DT H6 . . 3.680 4.969 4.969 4.969 1.289 1 1 [+] 1
133 2 5 DT H1' 2 6 DT M7 . . 2.990 4.902 4.902 4.902 1.912 1 1 [+] 1
134 2 5 DT H1' 3 1 HND H1 . . 3.750 5.544 5.544 5.544 1.794 1 1 [+] 1
135 2 5 DT H1' 3 1 HND H2 . . 2.870 4.616 4.616 4.616 1.746 1 1 [+] 1
136 2 5 DT H1' 3 1 HND H6 . . 3.380 4.450 4.450 4.450 1.070 1 1 [+] 1
137 2 5 DT Q2' 2 5 DT H3' . . 2.140 2.195 2.195 2.195 0.055 1 0 "[ ]" 1
138 2 5 DT Q2' 2 5 DT H6 . . 2.080 2.129 2.129 2.129 0.049 1 0 "[ ]" 1
139 2 5 DT Q2' 2 6 DT H6 . . 3.320 2.430 2.430 2.430 . 0 0 "[ ]" 1
140 2 5 DT H3' 2 6 DT H6 . . 4.030 3.506 3.506 3.506 . 0 0 "[ ]" 1
141 2 5 DT H3' 2 6 DT M7 . . 2.940 2.469 2.469 2.469 . 0 0 "[ ]" 1
142 2 5 DT H6 2 5 DT M7 . . 3.030 2.247 2.247 2.247 . 0 0 "[ ]" 1
143 2 5 DT H6 2 6 DT M7 . . 2.670 3.310 3.310 3.310 0.640 1 1 [+] 1
144 2 5 DT M7 2 6 DT H1' . . 4.270 6.025 6.025 6.025 1.755 1 1 [+] 1
145 2 5 DT M7 3 1 HND H1 . . 3.100 4.370 4.370 4.370 1.270 1 1 [+] 1
146 2 6 DT H1' 2 6 DT Q2' . . 2.020 2.217 2.217 2.217 0.197 1 0 "[ ]" 1
147 2 6 DT H1' 2 6 DT H6 . . 2.980 3.757 3.757 3.757 0.777 1 1 [+] 1
148 2 6 DT Q2' 2 6 DT H6 . . 2.680 2.329 2.329 2.329 . 0 0 "[ ]" 1
149 2 6 DT Q2' 2 7 DG H8 . . 3.360 3.139 3.139 3.139 . 0 0 "[ ]" 1
150 2 6 DT H3' 2 6 DT H6 . . 3.130 3.385 3.385 3.385 0.255 1 0 "[ ]" 1
151 2 6 DT H6 2 6 DT M7 . . 2.960 2.376 2.376 2.376 . 0 0 "[ ]" 1
152 2 7 DG H1' 2 7 DG H3' . . 3.260 4.030 4.030 4.030 0.770 1 1 [+] 1
153 2 7 DG H1' 2 8 DC H5 . . 3.780 5.296 5.296 5.296 1.516 1 1 [+] 1
154 2 7 DG H1' 2 8 DC H6 . . 3.110 4.623 4.623 4.623 1.513 1 1 [+] 1
155 2 7 DG H2' 2 7 DG H3' . . 2.390 2.251 2.251 2.251 . 0 0 "[ ]" 1
156 2 7 DG H2' 2 8 DC H5 . . 4.290 2.826 2.826 2.826 . 0 0 "[ ]" 1
157 2 7 DG H2' 2 8 DC H6 . . 3.150 2.241 2.241 2.241 . 0 0 "[ ]" 1
158 2 7 DG H3' 2 7 DG H8 . . 3.360 4.059 4.059 4.059 0.699 1 1 [+] 1
159 2 7 DG H8 2 8 DC H5 . . 3.540 3.749 3.749 3.749 0.209 1 0 "[ ]" 1
160 2 7 DG H8 2 8 DC H6 . . 3.020 4.939 4.939 4.939 1.919 1 1 [+] 1
161 2 8 DC H1' 2 8 DC Q2' . . 2.100 2.297 2.297 2.297 0.197 1 0 "[ ]" 1
162 2 8 DC H1' 2 8 DC H6 . . 3.980 3.716 3.716 3.716 . 0 0 "[ ]" 1
163 2 8 DC H1' 2 9 DT H6 . . 3.690 3.826 3.826 3.826 0.136 1 0 "[ ]" 1
164 2 8 DC Q2' 2 8 DC H5 . . 3.030 4.351 4.351 4.351 1.321 1 1 [+] 1
165 2 8 DC Q2' 2 9 DT M7 . . 2.270 2.410 2.410 2.410 0.140 1 0 "[ ]" 1
166 2 8 DC H5 2 9 DT M7 . . 3.980 3.180 3.180 3.180 . 0 0 "[ ]" 1
167 2 9 DT H1' 2 9 DT Q2' . . 1.810 2.246 2.246 2.246 0.436 1 0 "[ ]" 1
168 2 9 DT H1' 2 9 DT H3' . . 3.350 3.908 3.908 3.908 0.558 1 1 [+] 1
169 2 9 DT H1' 2 9 DT H6 . . 2.170 3.701 3.701 3.701 1.531 1 1 [+] 1
170 2 9 DT Q2' 2 9 DT H6 . . 2.090 2.529 2.529 2.529 0.439 1 0 "[ ]" 1
171 2 9 DT Q2' 2 10 DA H8 . . 2.370 2.097 2.097 2.097 . 0 0 "[ ]" 1
172 2 9 DT H3' 2 9 DT H6 . . 2.720 3.750 3.750 3.750 1.030 1 1 [+] 1
173 2 9 DT H3' 2 10 DA H8 . . 3.170 4.381 4.381 4.381 1.211 1 1 [+] 1
174 2 9 DT H6 2 10 DA H8 . . 4.160 4.318 4.318 4.318 0.158 1 0 "[ ]" 1
175 2 11 DG H1' 2 11 DG H3' . . 2.920 3.892 3.892 3.892 0.972 1 1 [+] 1
176 2 11 DG H1' 2 12 DC H5 . . 3.840 4.890 4.890 4.890 1.050 1 1 [+] 1
177 2 11 DG H2' 2 12 DC H5 . . 2.990 3.118 3.118 3.118 0.128 1 0 "[ ]" 1
178 2 11 DG H8 2 12 DC H5 . . 3.400 3.446 3.446 3.446 0.046 1 0 "[ ]" 1
179 2 12 DC H1' 2 12 DC H2' . . 3.440 2.919 2.919 2.919 . 0 0 "[ ]" 1
180 2 12 DC H1' 2 12 DC H2'' . . 1.880 2.258 2.258 2.258 0.378 1 0 "[ ]" 1
181 2 12 DC H1' 2 12 DC H3' . . 3.050 3.869 3.869 3.869 0.819 1 1 [+] 1
182 2 12 DC H1' 2 12 DC H6 . . 3.880 3.722 3.722 3.722 . 0 0 "[ ]" 1
183 2 12 DC H2' 2 12 DC H3' . . 2.170 2.325 2.325 2.325 0.155 1 0 "[ ]" 1
184 2 12 DC H2'' 2 12 DC H3' . . 2.970 3.012 3.012 3.012 0.042 1 0 "[ ]" 1
185 2 12 DC H3' 2 12 DC H6 . . 2.960 2.868 2.868 2.868 . 0 0 "[ ]" 1
186 3 1 HND H1 3 1 HND H2 . . 1.950 2.417 2.417 2.417 0.467 1 0 "[ ]" 1
187 3 1 HND H1 3 1 HND H2A . . 2.240 2.476 2.476 2.476 0.236 1 0 "[ ]" 1
188 3 1 HND H1 3 1 HND H3 . . 4.030 3.873 3.873 3.873 . 0 0 "[ ]" 1
189 3 1 HND H1 3 1 HND H4 . . 2.570 4.688 4.688 4.688 2.118 1 1 [+] 1
190 3 1 HND H2 3 1 HND H3 . . 1.930 3.040 3.040 3.040 1.110 1 1 [+] 1
191 3 1 HND H2 3 1 HND H4 . . 1.870 2.427 2.427 2.427 0.557 1 1 [+] 1
192 3 1 HND H2A 3 1 HND H3 . . 2.350 2.391 2.391 2.391 0.041 1 0 "[ ]" 1
193 3 1 HND H2A 3 1 HND H4 . . 2.550 3.319 3.319 3.319 0.769 1 1 [+] 1
194 3 1 HND H3 3 1 HND H5 . . 2.130 3.910 3.910 3.910 1.780 1 1 [+] 1
195 3 1 HND H3 3 1 HND H6 . . 2.720 2.480 2.480 2.480 . 0 0 "[ ]" 1
196 3 1 HND H4 3 1 HND H5 . . 2.110 2.338 2.338 2.338 0.228 1 0 "[ ]" 1
197 3 1 HND H4 3 1 HND H5A . . 1.810 2.481 2.481 2.481 0.671 1 1 [+] 1
198 3 1 HND H4 3 1 HND H6 . . 4.810 3.419 3.419 3.419 . 0 0 "[ ]" 1
199 3 1 HND H4 3 1 HND H7 . . 3.920 4.222 4.222 4.222 0.302 1 0 "[ ]" 1
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