NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
580543 |
2mo2   |
19917 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2mo2
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 309
_Distance_constraint_stats_list.Viol_count 3195
_Distance_constraint_stats_list.Viol_total 32346.254
_Distance_constraint_stats_list.Viol_max 4.868
_Distance_constraint_stats_list.Viol_rms 0.7815
_Distance_constraint_stats_list.Viol_average_all_restraints 0.8651
_Distance_constraint_stats_list.Viol_average_violations_only 0.9204
_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 DC 211.741 3.732 7 11 [******+*-**]
1 2 DG 229.490 3.861 8 11 [*******+-**]
1 3 DC 212.858 3.861 8 11 [*******+*-*]
1 4 DG 107.271 2.167 10 11 [*-*******+*]
1 5 DA 199.382 2.979 3 11 [**+******-*]
1 6 DA 370.152 4.293 7 11 [***-**+****]
1 7 DT 254.764 2.033 4 11 [***+***-***]
1 8 DT 249.326 4.293 7 11 [******+-***]
1 10 DG 157.062 1.926 4 11 [***+***-***]
1 11 DC 186.566 1.926 4 11 [***+**-****]
1 12 DG 77.127 1.985 2 11 [*+********-]
2 1 DC 211.865 3.665 6 11 [*****+*-***]
2 2 DG 232.901 3.836 3 11 [**+****-***]
2 3 DC 215.652 3.836 3 11 [**+******-*]
2 4 DG 107.057 2.164 10 11 [*-*******+*]
2 5 DA 200.149 2.958 11 11 [**********+]
2 6 DA 370.015 4.257 4 11 [***+*-*****]
2 7 DT 306.235 4.868 6 11 [*****+-****]
2 8 DT 299.012 4.868 6 11 [*****+-****]
2 10 DG 158.014 1.822 5 11 [****+*****-]
2 11 DC 186.744 1.822 5 11 [*-**+******]
2 12 DG 77.139 1.958 9 11 [*-******+**]
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 DC H1' 1 1 DC Q2' . . 2.180 2.274 2.246 2.314 0.134 4 0 "[ . 1 ]" 1
2 1 1 DC H1' 1 1 DC H3' . . 3.000 3.815 3.751 3.856 0.856 5 11 [***-+******] 1
3 1 1 DC Q2' 1 1 DC H3' . . 1.830 2.204 2.170 2.240 0.410 5 0 "[ . 1 ]" 1
4 1 1 DC H3' 1 1 DC H6 . . 2.500 4.050 3.960 4.146 1.646 7 11 [**-***+****] 1
5 1 1 DC H1' 1 1 DC H6 . . 2.710 3.742 3.692 3.788 1.078 7 11 [****-*+****] 1
6 1 1 DC Q2' 1 1 DC H6 . . 1.660 2.280 2.229 2.323 0.663 8 11 [**-****+***] 1
7 1 1 DC H5 1 1 DC H6 . . 2.000 2.450 2.431 2.467 0.467 5 0 "[ . 1 ]" 1
8 1 1 DC H1' 1 1 DC H5 . . 3.500 5.457 5.427 5.490 1.990 6 11 [-****+*****] 1
9 1 1 DC Q2' 1 1 DC H5 . . 2.000 4.323 4.273 4.355 2.355 2 11 [*+-********] 1
10 1 1 DC H3' 1 1 DC H5 . . 2.840 6.472 6.381 6.572 3.732 7 11 [**-***+****] 1
11 1 1 DC H2' 1 1 DC H2'' . . 1.000 1.793 1.772 1.809 0.809 9 11 [-*******+**] 1
12 1 1 DC Q2' 1 2 DG H1' . . 3.370 4.726 4.501 4.963 1.593 3 11 [**+****-***] 1
13 1 1 DC Q2' 1 2 DG Q2' . . 1.680 2.944 2.539 3.230 1.550 5 11 [****+*-****] 1
14 1 2 DG H1' 1 2 DG H3' . . 3.550 3.712 3.632 3.804 0.254 5 0 "[ . 1 ]" 1
15 1 2 DG Q2' 1 2 DG H3' . . 2.240 2.253 2.208 2.279 0.039 2 0 "[ . 1 ]" 1
16 1 1 DC Q2' 1 2 DG H8 . . 2.140 2.422 2.193 2.696 0.556 4 3 "[ +. *-1 ]" 1
17 1 1 DC H3' 1 2 DG H8 . . 2.680 4.896 4.710 5.164 2.484 4 11 [***+-******] 1
18 1 1 DC H6 1 2 DG H8 . . 4.000 4.490 4.158 4.781 0.781 6 5 "[ -* *+ * ]" 1
19 1 2 DG H1' 1 2 DG H8 . . 2.840 3.842 3.790 3.901 1.061 3 11 [**+-*******] 1
20 1 2 DG Q2' 1 2 DG H8 . . 1.840 2.228 2.185 2.280 0.440 10 0 "[ . 1 ]" 1
21 1 2 DG H3' 1 2 DG H8 . . 2.980 4.597 4.516 4.709 1.729 8 11 [**-****+***] 1
22 1 2 DG H1' 1 3 DC H1' . . 3.770 4.892 4.715 5.051 1.281 2 11 [*+******-**] 1
23 1 2 DG H1' 1 3 DC Q2' . . 1.000 4.459 4.275 4.578 3.578 5 11 [****+***-**] 1
24 1 2 DG Q2' 1 3 DC Q2' . . 1.000 4.402 3.962 4.861 3.861 8 11 [*-*****+***] 1
25 1 3 DC H1' 1 3 DC Q2' . . 2.120 2.292 2.253 2.337 0.217 10 0 "[ . 1 ]" 1
26 1 2 DG H1' 1 3 DC H6 . . 2.710 2.946 2.661 3.163 0.453 5 0 "[ . 1 ]" 1
27 1 2 DG Q2' 1 3 DC H6 . . 2.350 2.662 2.287 3.046 0.696 7 5 "[ -. +**1*]" 1
28 1 2 DG H3' 1 3 DC H6 . . 4.000 4.770 4.537 4.985 0.985 5 11 [****+**-***] 1
29 1 2 DG H8 1 3 DC H6 . . 3.500 5.297 4.925 5.664 2.164 11 11 [*-********+] 1
30 1 3 DC H1' 1 3 DC H6 . . 3.260 3.745 3.714 3.783 0.523 11 4 "[ **. -+]" 1
31 1 3 DC Q2' 1 3 DC H6 . . 2.150 2.180 2.123 2.254 0.104 8 0 "[ . 1 ]" 1
32 1 2 DG H1' 1 3 DC H5 . . 3.240 3.665 3.235 4.009 0.769 2 5 "[ +* -* * ]" 1
33 1 2 DG Q2' 1 3 DC H5 . . 2.470 2.584 2.420 2.796 0.326 3 0 "[ . 1 ]" 1
34 1 2 DG H8 1 3 DC H5 . . 3.490 3.890 3.493 4.272 0.782 9 5 "[ *. -*+1*]" 1
35 1 3 DC H1' 1 3 DC H5 . . 3.000 5.454 5.439 5.486 2.486 11 11 [***-******+] 1
36 1 3 DC Q2' 1 3 DC H5 . . 3.130 4.256 4.201 4.317 1.187 11 11 [*-********+] 1
37 1 3 DC H5 1 3 DC H6 . . 2.000 2.435 2.407 2.463 0.463 11 0 "[ . 1 ]" 1
38 1 3 DC H1' 1 4 DG Q2' . . 3.230 4.683 4.597 4.815 1.585 7 11 [*-****+****] 1
39 1 3 DC Q2' 1 4 DG Q2' . . 2.840 3.406 3.332 3.488 0.648 7 10 "[***-**+ ***]" 1
40 1 4 DG H1' 1 4 DG Q2' . . 2.000 2.314 2.271 2.338 0.338 3 0 "[ . 1 ]" 1
41 1 4 DG H1' 1 4 DG H3' . . 3.170 3.754 3.714 3.805 0.635 6 11 [****-+*****] 1
42 1 4 DG Q2' 1 4 DG H3' . . 2.050 2.204 2.183 2.224 0.174 10 0 "[ . 1 ]" 1
43 1 3 DC H1' 1 4 DG H8 . . 3.910 3.988 3.822 4.183 0.273 7 0 "[ . 1 ]" 1
44 1 3 DC Q2' 1 4 DG H8 . . 2.560 2.552 2.482 2.660 0.100 7 0 "[ . 1 ]" 1
45 1 3 DC H6 1 4 DG H8 . . 3.880 4.339 4.196 4.452 0.572 3 5 "[ *+ - * * ]" 1
46 1 4 DG H1' 1 4 DG H8 . . 3.400 3.902 3.879 3.921 0.521 3 7 "[ -+** ***]" 1
47 1 4 DG Q2' 1 4 DG H8 . . 1.840 2.358 2.313 2.405 0.565 4 7 "[- *+* ** 1*]" 1
48 1 4 DG H3' 1 4 DG H8 . . 3.130 4.458 4.327 4.552 1.422 4 11 [***+*-*****] 1
49 1 5 DA H1' 1 5 DA Q2' . . 2.180 2.303 2.280 2.362 0.182 9 0 "[ . 1 ]" 1
50 1 5 DA H2' 1 5 DA H2'' . . 1.000 1.779 1.762 1.801 0.801 3 11 [*-+********] 1
51 1 5 DA H1' 1 5 DA H3' . . 3.210 3.832 3.785 3.877 0.667 10 11 [**-******+*] 1
52 1 5 DA Q2' 1 5 DA H3' . . 2.070 2.205 2.164 2.240 0.170 10 0 "[ . 1 ]" 1
53 1 4 DG H1' 1 5 DA H8 . . 3.030 3.551 3.416 3.735 0.705 3 7 "[* + * * *-*]" 1
54 1 4 DG Q2' 1 5 DA H8 . . 2.420 2.313 2.255 2.383 . 0 0 "[ . 1 ]" 1
55 1 4 DG H3' 1 5 DA H8 . . 2.950 5.068 5.024 5.117 2.167 10 11 [*-*******+*] 1
56 1 4 DG H8 1 5 DA H8 . . 3.580 4.717 4.575 5.051 1.471 5 11 [****+****-*] 1
57 1 5 DA H1' 1 5 DA H8 . . 3.080 3.911 3.893 3.937 0.857 4 11 [**-+*******] 1
58 1 5 DA Q2' 1 5 DA H8 . . 1.830 2.494 2.389 2.552 0.722 11 11 [*******-**+] 1
59 1 5 DA H3' 1 5 DA H8 . . 3.030 4.377 4.321 4.472 1.442 9 11 [****-***+**] 1
60 1 5 DA H1' 1 5 DA H2 . . 3.960 4.474 4.425 4.531 0.571 7 7 "[** -*+ *1*]" 1
61 1 5 DA H1' 1 6 DA H1' . . 4.500 5.294 5.104 5.577 1.077 3 11 [**+-*******] 1
62 1 5 DA H2 1 6 DA H1' . . 3.640 4.289 4.005 4.536 0.896 8 9 "[******-+*1 ]" 1
63 1 6 DA H1' 1 6 DA Q2' . . 2.130 2.287 2.265 2.310 0.180 6 0 "[ . 1 ]" 1
64 1 5 DA H1' 1 6 DA Q2' . . 3.580 5.052 4.939 5.148 1.568 11 11 [***-******+] 1
65 1 6 DA H2' 1 6 DA H2'' . . 1.000 1.783 1.771 1.803 0.803 9 11 [********+-*] 1
66 1 6 DA H1' 1 6 DA H3' . . 3.220 3.830 3.803 3.874 0.654 3 11 [**+**-*****] 1
67 1 6 DA Q2' 1 6 DA H3' . . 2.010 2.203 2.172 2.242 0.232 9 0 "[ . 1 ]" 1
68 1 5 DA H1' 1 6 DA H3' . . 3.000 5.814 5.594 5.979 2.979 3 11 [**+-*******] 1
69 1 5 DA H1' 1 6 DA H8 . . 2.790 3.805 3.713 3.879 1.089 7 11 [****-*+****] 1
70 1 5 DA Q2' 1 6 DA H8 . . 2.090 2.242 2.111 2.368 0.278 8 0 "[ . 1 ]" 1
71 1 5 DA H3' 1 6 DA H8 . . 3.210 4.891 4.757 5.065 1.855 4 11 [***+-******] 1
72 1 6 DA H1' 1 6 DA H8 . . 3.100 3.910 3.865 3.940 0.840 2 11 [*+**-******] 1
73 1 6 DA Q2' 1 6 DA H8 . . 1.930 2.462 2.343 2.631 0.701 10 7 "[** -.** +*]" 1
74 1 6 DA H3' 1 6 DA H8 . . 3.370 4.358 4.264 4.471 1.101 6 11 [****-+*****] 1
75 1 5 DA H2 1 6 DA H2 . . 3.410 4.168 4.041 4.380 0.970 8 11 [***-***+***] 1
76 1 6 DA H1' 1 6 DA H2 . . 4.770 4.473 4.419 4.524 . 0 0 "[ . 1 ]" 1
77 1 6 DA H1' 1 7 DT H1' . . 4.500 5.051 4.655 5.478 0.978 11 6 "[** .-* *+]" 1
78 1 6 DA H2 1 7 DT Q2' . . 3.950 5.625 5.303 5.849 1.899 11 11 [*******-**+] 1
79 1 7 DT H1' 1 7 DT Q2' . . 2.070 2.268 2.225 2.319 0.249 6 0 "[ . 1 ]" 1
80 1 6 DA H1' 1 7 DT Q2' . . 4.500 5.097 4.860 5.239 0.739 10 9 "[* **-***+*]" 1
81 1 6 DA Q2' 1 7 DT Q2' . . 3.020 3.977 3.849 4.131 1.111 5 11 [**-*+******] 1
82 1 7 DT H2' 1 7 DT H2'' . . 1.000 1.789 1.776 1.809 0.809 8 11 [-******+***] 1
83 1 6 DA H1' 1 7 DT H6 . . 2.940 3.718 3.574 3.776 0.836 11 11 [**-*******+] 1
84 1 6 DA Q2' 1 7 DT H6 . . 2.170 2.341 2.250 2.473 0.303 6 0 "[ . 1 ]" 1
85 1 6 DA H3' 1 7 DT H6 . . 3.770 5.066 4.979 5.222 1.452 6 11 [*****+***-*] 1
86 1 6 DA H8 1 7 DT H6 . . 3.500 5.097 4.636 5.477 1.977 11 11 [*******-**+] 1
87 1 7 DT H1' 1 7 DT H6 . . 3.280 3.733 3.702 3.765 0.485 10 0 "[ . 1 ]" 1
88 1 7 DT Q2' 1 7 DT H6 . . 2.250 2.369 2.200 2.601 0.351 8 0 "[ . 1 ]" 1
89 1 6 DA H1' 1 7 DT M7 . . 3.730 4.143 3.905 4.407 0.677 8 3 "[ .- +*1 ]" 1
90 1 6 DA Q2' 1 7 DT M7 . . 2.810 2.507 2.301 2.715 . 0 0 "[ . 1 ]" 1
91 1 6 DA H3' 1 7 DT M7 . . 3.850 4.564 4.333 4.798 0.948 8 10 "[*-*****+** ]" 1
92 1 6 DA H8 1 7 DT M7 . . 1.500 3.092 2.988 3.274 1.774 1 11 [+******-***] 1
93 1 6 DA H2 1 7 DT M7 . . 5.110 5.362 5.094 5.631 0.521 8 1 "[ . + 1 ]" 1
94 1 7 DT H1' 1 7 DT M7 . . 4.000 5.191 5.161 5.210 1.210 3 11 [-*+********] 1
95 1 7 DT Q2' 1 7 DT M7 . . 3.000 3.919 3.824 4.017 1.017 8 11 [******-+***] 1
96 1 7 DT H6 1 7 DT M7 . . 2.260 2.252 2.195 2.415 0.155 1 0 "[ . 1 ]" 1
97 1 6 DA H2 1 8 DT H1' . . 3.600 7.642 7.371 7.893 4.293 7 11 [***-**+****] 1
98 1 7 DT H1' 1 8 DT H1' . . 4.030 5.256 5.058 5.454 1.424 8 11 [*******+**-] 1
99 1 7 DT Q2' 1 8 DT Q2' . . 3.030 3.485 3.379 3.629 0.599 6 3 "[ * .+ - 1 ]" 1
100 1 8 DT H1' 1 8 DT Q2' . . 2.070 2.305 2.258 2.352 0.282 2 0 "[ . 1 ]" 1
101 1 8 DT H2' 1 8 DT H2'' . . 1.000 1.787 1.767 1.821 0.821 11 11 [*-********+] 1
102 1 8 DT H1' 1 8 DT H3' . . 3.500 3.746 3.717 3.776 0.276 6 0 "[ . 1 ]" 1
103 1 8 DT Q2' 1 8 DT H3' . . 2.500 2.243 2.215 2.283 . 0 0 "[ . 1 ]" 1
104 1 7 DT H1' 1 8 DT H6 . . 2.980 4.114 3.893 4.357 1.377 9 11 [*-******+**] 1
105 1 7 DT Q2' 1 8 DT H6 . . 2.060 2.332 2.188 2.535 0.475 2 0 "[ . 1 ]" 1
106 1 7 DT H6 1 8 DT H6 . . 3.000 4.935 4.772 5.033 2.033 4 11 [***+******-] 1
107 1 7 DT M7 1 8 DT H6 . . 4.000 5.426 5.279 5.634 1.634 4 11 [***+******-] 1
108 1 8 DT H1' 1 8 DT H6 . . 3.010 3.748 3.694 3.778 0.768 9 11 [***-****+**] 1
109 1 8 DT Q2' 1 8 DT H6 . . 1.970 2.150 2.093 2.222 0.252 8 0 "[ . 1 ]" 1
110 1 8 DT H3' 1 8 DT H6 . . 3.500 4.250 4.186 4.329 0.829 2 11 [*+*-*******] 1
111 1 6 DA H1' 1 8 DT M7 . . 4.000 6.231 5.964 6.446 2.446 6 11 [**-**+*****] 1
112 1 6 DA Q2' 1 8 DT M7 . . 2.580 4.663 4.434 4.950 2.370 6 11 [*****+****-] 1
113 1 6 DA H2 1 8 DT M7 . . 5.200 6.489 6.264 6.668 1.468 9 11 [*-******+**] 1
114 1 7 DT H1' 1 8 DT M7 . . 3.350 4.445 4.299 4.606 1.256 9 11 [**-*****+**] 1
115 1 7 DT Q2' 1 8 DT M7 . . 2.000 2.556 2.289 2.736 0.736 2 7 "[*+ .*- ***]" 1
116 1 7 DT H6 1 8 DT M7 . . 2.710 3.074 2.868 3.280 0.570 1 3 "[+ .* - ]" 1
117 1 7 DT M7 1 8 DT M7 . . 2.290 2.702 2.575 3.051 0.761 1 3 "[+ -.* 1 ]" 1
118 1 8 DT H1' 1 8 DT M7 . . 4.000 5.205 5.166 5.237 1.237 3 11 [**+*******-] 1
119 1 8 DT H6 1 8 DT M7 . . 2.380 2.262 2.207 2.427 0.047 1 0 "[ . 1 ]" 1
120 1 10 DG H1' 1 10 DG H3' . . 3.220 3.829 3.804 3.857 0.637 11 11 [*********-+] 1
121 1 10 DG Q2' 1 10 DG H3' . . 1.890 2.224 2.201 2.248 0.358 11 0 "[ . 1 ]" 1
122 1 10 DG H1' 1 10 DG H8 . . 3.190 3.885 3.860 3.915 0.725 3 11 [**+**-*****] 1
123 1 10 DG Q2' 1 10 DG H8 . . 1.640 2.344 2.308 2.386 0.746 4 11 [***+-******] 1
124 1 10 DG H3' 1 10 DG H8 . . 3.100 4.383 4.323 4.451 1.351 10 11 [*****-***+*] 1
125 1 10 DG H4' 1 10 DG H8 . . 4.070 4.908 4.830 4.995 0.925 3 11 [**+**-*****] 1
126 1 10 DG Q5' 1 10 DG H8 . . 2.890 4.039 3.902 4.156 1.266 10 11 [*****-***+*] 1
127 1 10 DG Q2' 1 11 DC Q2' . . 2.450 3.729 3.637 3.787 1.337 2 11 [*+****-****] 1
128 1 11 DC H1' 1 11 DC Q2' . . 1.800 2.274 2.252 2.306 0.506 9 2 "[ . - +1 ]" 1
129 1 10 DG H1' 1 11 DC Q2' . . 3.500 4.655 4.601 4.736 1.236 2 11 [*+****-****] 1
130 1 11 DC H2' 1 11 DC H2'' . . 1.000 1.783 1.766 1.804 0.804 5 11 [****+***-**] 1
131 1 10 DG H1' 1 11 DC H6 . . 2.800 3.409 3.320 3.502 0.702 2 11 [*+*****-***] 1
132 1 10 DG Q2' 1 11 DC H6 . . 2.240 2.147 2.066 2.238 . 0 0 "[ . 1 ]" 1
133 1 10 DG H3' 1 11 DC H6 . . 3.700 4.829 4.721 4.916 1.216 11 11 [********-*+] 1
134 1 10 DG H8 1 11 DC H6 . . 3.190 4.962 4.890 5.116 1.926 4 11 [***+******-] 1
135 1 11 DC H1' 1 11 DC H6 . . 2.880 3.735 3.700 3.749 0.869 2 11 [*+*-*******] 1
136 1 11 DC Q2' 1 11 DC H6 . . 1.910 2.170 2.132 2.220 0.310 2 0 "[ . 1 ]" 1
137 1 10 DG H1' 1 11 DC H5 . . 3.410 4.299 4.235 4.342 0.932 10 11 [*******-*+*] 1
138 1 10 DG Q2' 1 11 DC H5 . . 2.640 2.774 2.676 2.874 0.234 10 0 "[ . 1 ]" 1
139 1 10 DG H3' 1 11 DC H5 . . 4.260 5.285 5.149 5.471 1.211 10 11 [***-*****+*] 1
140 1 10 DG H8 1 11 DC H5 . . 2.940 3.615 3.512 3.757 0.817 4 11 [*-*+*******] 1
141 1 11 DC H5 1 11 DC H6 . . 2.000 2.441 2.416 2.466 0.466 10 0 "[ . 1 ]" 1
142 1 11 DC H1' 1 11 DC H5 . . 3.900 5.453 5.431 5.482 1.582 9 11 [***-****+**] 1
143 1 11 DC Q2' 1 11 DC H5 . . 3.080 4.284 4.263 4.321 1.241 2 11 [*+********-] 1
144 1 11 DC Q2' 1 12 DG H1' . . 3.580 4.723 4.544 5.054 1.474 10 11 [*-*******+*] 1
145 1 11 DC H1' 1 12 DG Q2' . . 4.000 4.681 4.561 4.773 0.773 6 11 [*****+**-**] 1
146 1 12 DG H1' 1 12 DG Q2' . . 1.810 2.306 2.278 2.330 0.520 9 5 "[ ** *+1-]" 1
147 1 12 DG H2' 1 12 DG H2'' . . 1.000 1.795 1.772 1.821 0.821 3 11 [**+*-******] 1
148 1 12 DG H1' 1 12 DG H3' . . 3.500 3.707 3.685 3.743 0.243 10 0 "[ . 1 ]" 1
149 1 12 DG Q2' 1 12 DG H3' . . 2.060 2.221 2.208 2.233 0.173 6 0 "[ . 1 ]" 1
150 1 11 DC Q2' 1 12 DG H8 . . 2.340 2.529 2.377 2.662 0.322 9 0 "[ . 1 ]" 1
151 1 11 DC H6 1 12 DG H8 . . 3.700 4.410 4.134 4.640 0.940 10 10 [****.****+-] 1
152 1 12 DG H1' 1 12 DG H8 . . 3.500 3.868 3.820 3.913 0.413 7 0 "[ . 1 ]" 1
153 1 12 DG Q2' 1 12 DG H8 . . 1.900 2.285 2.187 2.354 0.454 2 0 "[ . 1 ]" 1
154 1 12 DG H3' 1 12 DG H8 . . 2.720 4.595 4.531 4.705 1.985 2 11 [*+***-*****] 1
155 2 1 DC H1' 2 1 DC Q2' . . 2.180 2.280 2.246 2.306 0.126 5 0 "[ . 1 ]" 1
156 2 1 DC H1' 2 1 DC H3' . . 3.000 3.838 3.780 3.903 0.903 11 11 [******-***+] 1
157 2 1 DC Q2' 2 1 DC H3' . . 1.830 2.202 2.174 2.239 0.409 10 0 "[ . 1 ]" 1
158 2 1 DC H3' 2 1 DC H6 . . 2.500 4.036 3.937 4.100 1.600 3 11 [**+*******-] 1
159 2 1 DC H1' 2 1 DC H6 . . 2.710 3.756 3.736 3.780 1.070 10 11 [*********+-] 1
160 2 1 DC Q2' 2 1 DC H6 . . 1.660 2.281 2.212 2.320 0.660 8 11 [*******+*-*] 1
161 2 1 DC H5 2 1 DC H6 . . 2.000 2.439 2.422 2.458 0.458 2 0 "[ . 1 ]" 1
162 2 1 DC H1' 2 1 DC H5 . . 3.500 5.460 5.444 5.478 1.978 2 11 [*+-********] 1
163 2 1 DC Q2' 2 1 DC H5 . . 2.000 4.314 4.228 4.364 2.364 2 11 [*+*******-*] 1
164 2 1 DC H3' 2 1 DC H5 . . 2.840 6.447 6.318 6.505 3.665 6 11 [*****+****-] 1
165 2 1 DC H2' 2 1 DC H2'' . . 1.000 1.777 1.762 1.802 0.802 7 11 [******+**-*] 1
166 2 1 DC Q2' 2 2 DG H1' . . 3.370 4.611 4.436 4.986 1.616 10 11 [*****-***+*] 1
167 2 1 DC Q2' 2 2 DG Q2' . . 1.680 2.819 2.574 3.224 1.544 11 11 [*-********+] 1
168 2 2 DG H1' 2 2 DG H3' . . 3.550 3.671 3.620 3.791 0.241 11 0 "[ . 1 ]" 1
169 2 2 DG Q2' 2 2 DG H3' . . 2.240 2.239 2.218 2.260 0.020 8 0 "[ . 1 ]" 1
170 2 1 DC Q2' 2 2 DG H8 . . 2.140 2.590 2.207 2.851 0.711 9 5 "[ * * -*+1 ]" 1
171 2 1 DC H3' 2 2 DG H8 . . 2.680 5.049 4.724 5.313 2.633 9 11 [********+*-] 1
172 2 1 DC H6 2 2 DG H8 . . 4.000 4.451 4.256 4.719 0.719 11 3 "[ . - *+]" 1
173 2 2 DG H1' 2 2 DG H8 . . 2.840 3.825 3.785 3.908 1.068 11 11 [*-********+] 1
174 2 2 DG Q2' 2 2 DG H8 . . 1.840 2.207 2.168 2.249 0.409 10 0 "[ . 1 ]" 1
175 2 2 DG H3' 2 2 DG H8 . . 2.980 4.613 4.454 4.680 1.700 6 11 [*****+****-] 1
176 2 2 DG H1' 2 3 DC H1' . . 3.770 4.863 4.698 5.061 1.291 10 11 [*****-***+*] 1
177 2 2 DG H1' 2 3 DC Q2' . . 1.000 4.429 4.227 4.632 3.632 11 11 [*****-****+] 1
178 2 2 DG Q2' 2 3 DC Q2' . . 1.000 4.640 4.047 4.836 3.836 3 11 [**+*******-] 1
179 2 3 DC H1' 2 3 DC Q2' . . 2.120 2.287 2.257 2.326 0.206 8 0 "[ . 1 ]" 1
180 2 2 DG H1' 2 3 DC H6 . . 2.710 2.885 2.707 3.206 0.496 11 0 "[ . 1 ]" 1
181 2 2 DG Q2' 2 3 DC H6 . . 2.350 2.867 2.302 3.045 0.695 6 8 "[ ****+-**1 ]" 1
182 2 2 DG H3' 2 3 DC H6 . . 4.000 4.651 4.561 4.878 0.878 10 11 [******-**+*] 1
183 2 2 DG H8 2 3 DC H6 . . 3.500 5.508 5.015 5.723 2.223 4 11 [***+*****-*] 1
184 2 3 DC H1' 2 3 DC H6 . . 3.260 3.747 3.733 3.776 0.516 2 1 "[ + . 1 ]" 1
185 2 3 DC Q2' 2 3 DC H6 . . 2.150 2.174 2.129 2.222 0.072 7 0 "[ . 1 ]" 1
186 2 2 DG H1' 2 3 DC H5 . . 3.240 3.502 3.279 4.009 0.769 11 2 "[ . -+]" 1
187 2 2 DG Q2' 2 3 DC H5 . . 2.470 2.470 2.386 2.717 0.247 10 0 "[ . 1 ]" 1
188 2 2 DG H8 2 3 DC H5 . . 3.490 4.086 3.597 4.395 0.905 4 9 "[***+-****1 ]" 1
189 2 3 DC H1' 2 3 DC H5 . . 3.000 5.459 5.433 5.487 2.487 8 11 [**-****+***] 1
190 2 3 DC Q2' 2 3 DC H5 . . 3.130 4.279 4.242 4.320 1.190 2 11 [*+********-] 1
191 2 3 DC H5 2 3 DC H6 . . 2.000 2.450 2.431 2.467 0.467 10 0 "[ . 1 ]" 1
192 2 3 DC H1' 2 4 DG Q2' . . 3.230 4.648 4.571 4.725 1.495 8 11 [**-****+***] 1
193 2 3 DC Q2' 2 4 DG Q2' . . 2.840 3.396 3.336 3.456 0.616 8 10 "[**-****+ **]" 1
194 2 4 DG H1' 2 4 DG Q2' . . 2.000 2.315 2.266 2.358 0.358 5 0 "[ . 1 ]" 1
195 2 4 DG H1' 2 4 DG H3' . . 3.170 3.752 3.708 3.794 0.624 3 11 [**+******-*] 1
196 2 4 DG Q2' 2 4 DG H3' . . 2.050 2.201 2.157 2.232 0.182 8 0 "[ . 1 ]" 1
197 2 3 DC H1' 2 4 DG H8 . . 3.910 3.963 3.772 4.074 0.164 6 0 "[ . 1 ]" 1
198 2 3 DC Q2' 2 4 DG H8 . . 2.560 2.571 2.451 2.654 0.094 8 0 "[ . 1 ]" 1
199 2 3 DC H6 2 4 DG H8 . . 3.880 4.255 4.125 4.466 0.586 11 2 "[ . -+]" 1
200 2 4 DG H1' 2 4 DG H8 . . 3.400 3.897 3.872 3.935 0.535 7 3 "[ *. + -1 ]" 1
201 2 4 DG Q2' 2 4 DG H8 . . 1.840 2.372 2.291 2.506 0.666 4 8 "[*- +* **** ]" 1
202 2 4 DG H3' 2 4 DG H8 . . 3.130 4.473 4.350 4.619 1.489 4 11 [***+*-*****] 1
203 2 5 DA H1' 2 5 DA Q2' . . 2.180 2.300 2.263 2.346 0.166 8 0 "[ . 1 ]" 1
204 2 5 DA H2' 2 5 DA H2'' . . 1.000 1.781 1.754 1.799 0.799 5 11 [*-**+******] 1
205 2 5 DA H1' 2 5 DA H3' . . 3.210 3.831 3.768 3.884 0.674 2 11 [*+*******-*] 1
206 2 5 DA Q2' 2 5 DA H3' . . 2.070 2.204 2.172 2.247 0.177 5 0 "[ . 1 ]" 1
207 2 4 DG H1' 2 5 DA H8 . . 3.030 3.571 3.473 3.699 0.669 10 7 "[* * * ** +-]" 1
208 2 4 DG Q2' 2 5 DA H8 . . 2.420 2.292 2.238 2.370 . 0 0 "[ . 1 ]" 1
209 2 4 DG H3' 2 5 DA H8 . . 2.950 5.049 4.987 5.114 2.164 10 11 [*********+-] 1
210 2 4 DG H8 2 5 DA H8 . . 3.580 4.798 4.617 4.932 1.352 2 11 [*+-********] 1
211 2 5 DA H1' 2 5 DA H8 . . 3.080 3.905 3.881 3.945 0.865 5 11 [****+*-****] 1
212 2 5 DA Q2' 2 5 DA H8 . . 1.830 2.502 2.402 2.605 0.775 4 11 [***+****-**] 1
213 2 5 DA H3' 2 5 DA H8 . . 3.030 4.346 4.179 4.441 1.411 10 11 [*-*******+*] 1
214 2 5 DA H1' 2 5 DA H2 . . 3.960 4.498 4.432 4.547 0.587 9 10 "[** *****+*-]" 1
215 2 5 DA H1' 2 6 DA H1' . . 4.500 5.356 5.240 5.513 1.013 2 11 [*+**-******] 1
216 2 5 DA H2 2 6 DA H1' . . 3.640 4.397 4.084 4.891 1.251 11 10 "[*****-* **+]" 1
217 2 6 DA H1' 2 6 DA Q2' . . 2.130 2.295 2.281 2.334 0.204 7 0 "[ . 1 ]" 1
218 2 5 DA H1' 2 6 DA Q2' . . 3.580 4.997 4.640 5.248 1.668 8 11 [*-*****+***] 1
219 2 6 DA H2' 2 6 DA H2'' . . 1.000 1.781 1.774 1.789 0.789 3 11 [**+-*******] 1
220 2 6 DA H1' 2 6 DA H3' . . 3.220 3.824 3.802 3.857 0.637 9 11 [**-*****+**] 1
221 2 6 DA Q2' 2 6 DA H3' . . 2.010 2.201 2.151 2.260 0.250 11 0 "[ . 1 ]" 1
222 2 5 DA H1' 2 6 DA H3' . . 3.000 5.778 5.204 5.958 2.958 11 11 [*-********+] 1
223 2 5 DA H1' 2 6 DA H8 . . 2.790 3.797 3.709 3.866 1.076 4 11 [***+******-] 1
224 2 5 DA Q2' 2 6 DA H8 . . 2.090 2.231 2.183 2.318 0.228 10 0 "[ . 1 ]" 1
225 2 5 DA H3' 2 6 DA H8 . . 3.210 4.882 4.806 5.018 1.808 10 11 [***-*****+*] 1
226 2 6 DA H1' 2 6 DA H8 . . 3.100 3.910 3.871 3.937 0.837 3 11 [**+****-***] 1
227 2 6 DA Q2' 2 6 DA H8 . . 1.930 2.396 2.232 2.564 0.634 8 5 "[ -**+ * ]" 1
228 2 6 DA H3' 2 6 DA H8 . . 3.370 4.323 4.170 4.367 0.997 5 11 [****+**-***] 1
229 2 5 DA H2 2 6 DA H2 . . 3.410 4.114 3.938 4.383 0.973 10 11 [**-******+*] 1
230 2 6 DA H1' 2 6 DA H2 . . 4.770 4.479 4.415 4.558 . 0 0 "[ . 1 ]" 1
231 2 6 DA H1' 2 7 DT H1' . . 4.500 4.913 4.477 5.337 0.837 8 5 "[ **- + * ]" 1
232 2 6 DA H2 2 7 DT Q2' . . 3.950 5.622 5.471 5.855 1.905 8 11 [*******+**-] 1
233 2 7 DT H1' 2 7 DT Q2' . . 2.070 2.276 2.223 2.304 0.234 3 0 "[ . 1 ]" 1
234 2 6 DA H1' 2 7 DT Q2' . . 4.500 5.060 4.914 5.220 0.720 8 7 "[* ***-+ * ]" 1
235 2 6 DA Q2' 2 7 DT Q2' . . 3.020 4.011 3.851 4.255 1.235 2 11 [*+*****-***] 1
236 2 7 DT H2' 2 7 DT H2'' . . 1.000 1.783 1.761 1.800 0.800 11 11 [****-*****+] 1
237 2 6 DA H1' 2 7 DT H6 . . 2.940 3.730 3.653 3.813 0.873 8 11 [*****-*+***] 1
238 2 6 DA Q2' 2 7 DT H6 . . 2.170 2.395 2.258 2.617 0.447 2 0 "[ . 1 ]" 1
239 2 6 DA H3' 2 7 DT H6 . . 3.770 5.136 4.955 5.408 1.638 2 11 [*+*****-***] 1
240 2 6 DA H8 2 7 DT H6 . . 3.500 4.964 4.432 5.395 1.895 8 11 [*******+**-] 1
241 2 7 DT H1' 2 7 DT H6 . . 3.280 3.734 3.716 3.763 0.483 9 0 "[ . 1 ]" 1
242 2 7 DT Q2' 2 7 DT H6 . . 2.250 2.382 2.237 2.560 0.310 11 0 "[ . 1 ]" 1
243 2 6 DA H1' 2 7 DT M7 . . 3.730 4.223 3.976 4.514 0.784 11 6 "[*-* . * *1+]" 1
244 2 6 DA Q2' 2 7 DT M7 . . 2.810 2.601 2.312 2.846 0.036 9 0 "[ . 1 ]" 1
245 2 6 DA H3' 2 7 DT M7 . . 3.850 4.678 4.291 4.951 1.101 2 10 "[*+*-*** ***]" 1
246 2 6 DA H8 2 7 DT M7 . . 1.500 3.028 2.860 3.177 1.677 1 11 [+*********-] 1
247 2 6 DA H2 2 7 DT M7 . . 5.110 5.471 5.112 5.879 0.769 11 4 "[ - . * *1+]" 1
248 2 7 DT H1' 2 7 DT M7 . . 4.000 5.196 5.157 5.230 1.230 5 11 [****+*****-] 1
249 2 7 DT Q2' 2 7 DT M7 . . 3.000 3.931 3.822 4.028 1.028 11 11 [*******-**+] 1
250 2 7 DT H6 2 7 DT M7 . . 2.260 2.260 2.220 2.405 0.145 1 0 "[ . 1 ]" 1
251 2 6 DA H2 2 8 DT H1' . . 3.600 7.688 7.473 7.857 4.257 4 11 [**-+*******] 1
252 2 7 DT H1' 2 8 DT H1' . . 4.030 5.335 5.171 5.514 1.484 2 11 [*+*****-***] 1
253 2 7 DT Q2' 2 8 DT Q2' . . 3.030 3.469 3.369 3.533 0.503 3 2 "[ + - 1 ]" 1
254 2 8 DT H1' 2 8 DT Q2' . . 2.070 2.305 2.279 2.334 0.264 11 0 "[ . 1 ]" 1
255 2 7 DT M7 2 8 DT Q2' . . 2.040 6.769 6.514 6.908 4.868 6 11 [*****+*-***] 1
256 2 8 DT H2' 2 8 DT H2'' . . 1.000 1.780 1.774 1.796 0.796 3 11 [**+**-*****] 1
257 2 8 DT H1' 2 8 DT H3' . . 3.500 3.751 3.715 3.787 0.287 3 0 "[ . 1 ]" 1
258 2 8 DT Q2' 2 8 DT H3' . . 2.500 2.232 2.209 2.251 . 0 0 "[ . 1 ]" 1
259 2 7 DT H1' 2 8 DT H6 . . 2.980 4.126 3.914 4.238 1.258 2 11 [*+*******-*] 1
260 2 7 DT Q2' 2 8 DT H6 . . 2.060 2.290 2.208 2.375 0.315 4 0 "[ . 1 ]" 1
261 2 7 DT H6 2 8 DT H6 . . 3.000 4.902 4.640 5.027 2.027 4 11 [***+***-***] 1
262 2 7 DT M7 2 8 DT H6 . . 4.000 5.417 5.141 5.555 1.555 4 11 [***+***-***] 1
263 2 8 DT H1' 2 8 DT H6 . . 3.010 3.748 3.721 3.771 0.761 3 11 [**+*****-**] 1
264 2 8 DT Q2' 2 8 DT H6 . . 1.970 2.152 2.107 2.211 0.241 6 0 "[ . 1 ]" 1
265 2 8 DT H3' 2 8 DT H6 . . 3.500 4.230 4.181 4.289 0.789 6 11 [*****+*-***] 1
266 2 6 DA H1' 2 8 DT M7 . . 4.000 6.176 6.015 6.286 2.286 1 11 [+****-*****] 1
267 2 6 DA Q2' 2 8 DT M7 . . 2.580 4.674 4.435 4.883 2.303 2 11 [*+*****-***] 1
268 2 6 DA H2 2 8 DT M7 . . 5.200 6.485 6.217 6.712 1.512 11 11 [*****-****+] 1
269 2 7 DT H1' 2 8 DT M7 . . 3.350 4.416 4.204 4.520 1.170 2 11 [*+***-*****] 1
270 2 7 DT Q2' 2 8 DT M7 . . 2.000 2.506 2.323 2.641 0.641 1 6 "[+ **. -**1 ]" 1
271 2 7 DT H6 2 8 DT M7 . . 2.710 3.008 2.892 3.194 0.484 1 0 "[ . 1 ]" 1
272 2 7 DT M7 2 8 DT M7 . . 2.290 2.677 2.438 2.979 0.689 1 1 "[+ . 1 ]" 1
273 2 8 DT H1' 2 8 DT M7 . . 4.000 5.198 5.170 5.233 1.233 2 11 [-+*********] 1
274 2 8 DT H6 2 8 DT M7 . . 2.380 2.247 2.184 2.392 0.012 1 0 "[ . 1 ]" 1
275 2 10 DG H1' 2 10 DG H3' . . 3.220 3.822 3.776 3.853 0.633 8 11 [*****-*+***] 1
276 2 10 DG Q2' 2 10 DG H3' . . 1.890 2.217 2.190 2.261 0.371 8 0 "[ . 1 ]" 1
277 2 10 DG H1' 2 10 DG H8 . . 3.190 3.897 3.860 3.938 0.748 3 11 [**+******-*] 1
278 2 10 DG Q2' 2 10 DG H8 . . 1.640 2.355 2.283 2.409 0.769 3 11 [**+*****-**] 1
279 2 10 DG H3' 2 10 DG H8 . . 3.100 4.393 4.314 4.471 1.371 6 11 [****-+*****] 1
280 2 10 DG H4' 2 10 DG H8 . . 4.070 4.950 4.881 5.001 0.931 10 11 [****-****+*] 1
281 2 10 DG Q5' 2 10 DG H8 . . 2.890 4.034 3.921 4.149 1.259 6 11 [****-+*****] 1
282 2 10 DG Q2' 2 11 DC Q2' . . 2.450 3.728 3.686 3.790 1.340 7 11 [*****-+****] 1
283 2 11 DC H1' 2 11 DC Q2' . . 1.800 2.267 2.230 2.320 0.520 4 2 "[ - +. 1 ]" 1
284 2 10 DG H1' 2 11 DC Q2' . . 3.500 4.648 4.556 4.709 1.209 8 11 [*****-*+***] 1
285 2 11 DC H2' 2 11 DC H2'' . . 1.000 1.789 1.773 1.811 0.811 3 11 [*-+********] 1
286 2 10 DG H1' 2 11 DC H6 . . 2.800 3.381 3.280 3.467 0.667 5 9 "[*-**+ ** **]" 1
287 2 10 DG Q2' 2 11 DC H6 . . 2.240 2.153 2.060 2.222 . 0 0 "[ . 1 ]" 1
288 2 10 DG H3' 2 11 DC H6 . . 3.700 4.854 4.735 4.921 1.221 6 11 [*****+**-**] 1
289 2 10 DG H8 2 11 DC H6 . . 3.190 4.903 4.818 5.012 1.822 5 11 [****+***-**] 1
290 2 11 DC H1' 2 11 DC H6 . . 2.880 3.739 3.718 3.776 0.896 5 11 [***-+******] 1
291 2 11 DC Q2' 2 11 DC H6 . . 1.910 2.189 2.140 2.222 0.312 7 0 "[ . 1 ]" 1
292 2 10 DG H1' 2 11 DC H5 . . 3.410 4.305 4.263 4.360 0.950 8 11 [*****-*+***] 1
293 2 10 DG Q2' 2 11 DC H5 . . 2.640 2.837 2.767 2.923 0.283 10 0 "[ . 1 ]" 1
294 2 10 DG H3' 2 11 DC H5 . . 4.260 5.362 5.259 5.516 1.256 6 11 [*****+**-**] 1
295 2 10 DG H8 2 11 DC H5 . . 2.940 3.571 3.489 3.709 0.769 5 11 [****+*****-] 1
296 2 11 DC H5 2 11 DC H6 . . 2.000 2.441 2.405 2.477 0.477 6 0 "[ . 1 ]" 1
297 2 11 DC H1' 2 11 DC H5 . . 3.900 5.453 5.429 5.480 1.580 3 11 [**+***-****] 1
298 2 11 DC Q2' 2 11 DC H5 . . 3.080 4.285 4.232 4.306 1.226 4 11 [***+****-**] 1
299 2 11 DC Q2' 2 12 DG H1' . . 3.580 4.740 4.540 5.005 1.425 10 11 [********-+*] 1
300 2 11 DC H1' 2 12 DG Q2' . . 4.000 4.729 4.601 4.848 0.848 4 11 [***+-******] 1
301 2 12 DG H1' 2 12 DG Q2' . . 1.810 2.322 2.282 2.359 0.549 5 7 "[ - *+** **]" 1
302 2 12 DG H2' 2 12 DG H2'' . . 1.000 1.789 1.764 1.808 0.808 8 11 [******-+***] 1
303 2 12 DG H1' 2 12 DG H3' . . 3.500 3.713 3.677 3.759 0.259 5 0 "[ . 1 ]" 1
304 2 12 DG Q2' 2 12 DG H3' . . 2.060 2.216 2.191 2.256 0.196 3 0 "[ . 1 ]" 1
305 2 11 DC Q2' 2 12 DG H8 . . 2.340 2.441 2.331 2.589 0.249 7 0 "[ . 1 ]" 1
306 2 11 DC H6 2 12 DG H8 . . 3.700 4.395 4.235 4.585 0.885 7 11 [**-***+****] 1
307 2 12 DG H1' 2 12 DG H8 . . 3.500 3.886 3.861 3.923 0.423 6 0 "[ . 1 ]" 1
308 2 12 DG Q2' 2 12 DG H8 . . 1.900 2.304 2.236 2.381 0.481 2 0 "[ . 1 ]" 1
309 2 12 DG H3' 2 12 DG H8 . . 2.720 4.586 4.508 4.678 1.958 9 11 [*****-**+**] 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 42
_Distance_constraint_stats_list.Viol_count 460
_Distance_constraint_stats_list.Viol_total 557.620
_Distance_constraint_stats_list.Viol_max 0.253
_Distance_constraint_stats_list.Viol_rms 0.0560
_Distance_constraint_stats_list.Viol_average_all_restraints 0.1097
_Distance_constraint_stats_list.Viol_average_violations_only 0.1102
_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 DC 5.388 0.192 9 0 "[ . 1 ]"
1 2 DG 4.842 0.138 3 0 "[ . 1 ]"
1 3 DC 4.799 0.129 11 0 "[ . 1 ]"
1 5 DA 5.497 0.252 4 0 "[ . 1 ]"
1 6 DA 5.310 0.232 5 0 "[ . 1 ]"
1 7 DT 5.020 0.224 3 0 "[ . 1 ]"
1 8 DT 5.297 0.253 5 0 "[ . 1 ]"
1 10 DG 4.161 0.133 10 0 "[ . 1 ]"
1 11 DC 4.550 0.145 7 0 "[ . 1 ]"
1 12 DG 5.829 0.173 6 0 "[ . 1 ]"
2 1 DC 5.829 0.173 6 0 "[ . 1 ]"
2 2 DG 4.550 0.145 7 0 "[ . 1 ]"
2 3 DC 4.161 0.133 10 0 "[ . 1 ]"
2 5 DA 5.297 0.253 5 0 "[ . 1 ]"
2 6 DA 5.020 0.224 3 0 "[ . 1 ]"
2 7 DT 5.310 0.232 5 0 "[ . 1 ]"
2 8 DT 5.497 0.252 4 0 "[ . 1 ]"
2 10 DG 4.799 0.129 11 0 "[ . 1 ]"
2 11 DC 4.842 0.138 3 0 "[ . 1 ]"
2 12 DG 5.388 0.192 9 0 "[ . 1 ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 DC H42 2 12 DG O6 . . 1.800 1.906 1.870 1.992 0.192 9 0 "[ . 1 ]" 2
2 1 1 DC N3 2 12 DG H1 . . 1.840 1.941 1.917 1.971 0.131 7 0 "[ . 1 ]" 2
3 1 1 DC N3 2 12 DG N1 . . 2.850 2.944 2.918 2.970 0.120 6 0 "[ . 1 ]" 2
4 1 1 DC N4 2 12 DG O6 . . 2.810 2.907 2.871 2.966 0.156 9 0 "[ . 1 ]" 2
5 1 1 DC O2 2 12 DG H22 . . 1.750 1.842 1.782 1.904 0.154 5 0 "[ . 1 ]" 2
6 1 2 DG H1 2 11 DC N3 . . 1.840 1.946 1.910 1.974 0.134 9 0 "[ . 1 ]" 2
7 1 2 DG H22 2 11 DC O2 . . 1.750 1.856 1.827 1.888 0.138 3 0 "[ . 1 ]" 2
8 1 2 DG N1 2 11 DC N3 . . 2.850 2.945 2.904 2.968 0.118 9 0 "[ . 1 ]" 2
9 1 2 DG O6 2 11 DC H42 . . 1.800 1.870 1.830 1.923 0.123 11 0 "[ . 1 ]" 2
10 1 2 DG O6 2 11 DC N4 . . 2.810 2.874 2.837 2.927 0.117 11 0 "[ . 1 ]" 2
11 1 3 DC H42 2 10 DG O6 . . 1.800 1.883 1.850 1.924 0.124 4 0 "[ . 1 ]" 2
12 1 3 DC N3 2 10 DG H1 . . 1.840 1.940 1.928 1.953 0.113 4 0 "[ . 1 ]" 2
13 1 3 DC N3 2 10 DG N1 . . 2.850 2.937 2.927 2.944 0.094 10 0 "[ . 1 ]" 2
14 1 3 DC N4 2 10 DG O6 . . 2.810 2.888 2.855 2.923 0.113 4 0 "[ . 1 ]" 2
15 1 3 DC O2 2 10 DG H22 . . 1.750 1.839 1.814 1.879 0.129 11 0 "[ . 1 ]" 2
16 1 5 DA H61 2 8 DT O4 . . 1.840 1.898 1.859 1.935 0.095 3 0 "[ . 1 ]" 2
17 1 5 DA N1 2 8 DT H3 . . 1.710 1.939 1.907 1.962 0.252 4 0 "[ . 1 ]" 2
18 1 5 DA N1 2 8 DT N3 . . 2.720 2.933 2.908 2.960 0.240 3 0 "[ . 1 ]" 2
19 1 6 DA H61 2 7 DT O4 . . 1.840 1.928 1.859 2.046 0.206 3 0 "[ . 1 ]" 2
20 1 6 DA N1 2 7 DT H3 . . 1.710 1.909 1.880 1.942 0.232 5 0 "[ . 1 ]" 2
21 1 6 DA N1 2 7 DT N3 . . 2.720 2.916 2.885 2.949 0.229 5 0 "[ . 1 ]" 2
22 1 7 DT H3 2 6 DA N1 . . 1.710 1.901 1.883 1.934 0.224 3 0 "[ . 1 ]" 2
23 1 7 DT N3 2 6 DA N1 . . 2.720 2.906 2.884 2.933 0.213 3 0 "[ . 1 ]" 2
24 1 7 DT O4 2 6 DA H61 . . 1.840 1.920 1.874 1.980 0.140 8 0 "[ . 1 ]" 2
25 1 8 DT H3 2 5 DA N1 . . 1.710 1.939 1.898 1.963 0.253 5 0 "[ . 1 ]" 2
26 1 8 DT N3 2 5 DA N1 . . 2.720 2.933 2.899 2.952 0.232 6 0 "[ . 1 ]" 2
27 1 8 DT O4 2 5 DA H61 . . 1.840 1.878 1.823 1.951 0.111 6 0 "[ . 1 ]" 2
28 1 10 DG H1 2 3 DC N3 . . 1.840 1.933 1.901 1.971 0.131 3 0 "[ . 1 ]" 2
29 1 10 DG H22 2 3 DC O2 . . 1.750 1.838 1.785 1.879 0.129 9 0 "[ . 1 ]" 2
30 1 10 DG N1 2 3 DC N3 . . 2.850 2.927 2.904 2.960 0.110 3 0 "[ . 1 ]" 2
31 1 10 DG O6 2 3 DC H42 . . 1.800 1.862 1.803 1.933 0.133 10 0 "[ . 1 ]" 2
32 1 10 DG O6 2 3 DC N4 . . 2.810 2.868 2.814 2.940 0.130 10 0 "[ . 1 ]" 2
33 1 11 DC H42 2 2 DG O6 . . 1.800 1.876 1.837 1.940 0.140 3 0 "[ . 1 ]" 2
34 1 11 DC N3 2 2 DG H1 . . 1.840 1.935 1.912 1.962 0.122 7 0 "[ . 1 ]" 2
35 1 11 DC N3 2 2 DG N1 . . 2.850 2.941 2.910 2.972 0.122 7 0 "[ . 1 ]" 2
36 1 11 DC N4 2 2 DG O6 . . 2.810 2.879 2.845 2.936 0.126 3 0 "[ . 1 ]" 2
37 1 11 DC O2 2 2 DG H22 . . 1.750 1.834 1.783 1.895 0.145 7 0 "[ . 1 ]" 2
38 1 12 DG H1 2 1 DC N3 . . 1.840 1.953 1.901 1.987 0.147 6 0 "[ . 1 ]" 2
39 1 12 DG H22 2 1 DC O2 . . 1.750 1.842 1.810 1.866 0.116 11 0 "[ . 1 ]" 2
40 1 12 DG N1 2 1 DC N3 . . 2.850 2.956 2.908 2.986 0.136 6 0 "[ . 1 ]" 2
41 1 12 DG O6 2 1 DC H42 . . 1.800 1.915 1.805 1.973 0.173 6 0 "[ . 1 ]" 2
42 1 12 DG O6 2 1 DC N4 . . 2.810 2.915 2.814 2.978 0.168 6 0 "[ . 1 ]" 2
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