Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
472597 | 1a8n RC | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1a8n
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 482
_Distance_constraint_stats_list.Viol_count 1652
_Distance_constraint_stats_list.Viol_total 19309.527
_Distance_constraint_stats_list.Viol_max 13.626
_Distance_constraint_stats_list.Viol_rms 2.0290
_Distance_constraint_stats_list.Viol_average_all_restraints 0.6260
_Distance_constraint_stats_list.Viol_average_violations_only 1.4611
_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 420.714 11.472 7 8 [******+-]
1 2 DG 42.995 1.428 5 8 [*-**+***]
1 3 DG 38.169 1.428 5 8 [*-**+***]
1 4 DC 117.871 8.173 3 8 [**+***-*]
1 5 DT 106.370 7.028 6 8 [****-+**]
1 6 DT 35.724 1.349 6 8 [****-+**]
1 7 DT 30.783 1.203 2 7 "[*+****- ]"
1 8 DT 692.480 13.626 7 8 [******+*]
1 9 DG 183.375 8.840 7 8 [***-**+*]
1 10 DG 17.672 1.433 8 8 [**-****+]
1 11 DG 17.200 1.433 8 8 [****-**+]
1 12 DC 616.421 13.626 7 8 [****-*+*]
2 1 DG 420.759 11.485 7 8 [******+-]
2 2 DG 43.024 1.427 5 8 [*-**+***]
2 3 DG 38.309 1.427 5 8 [*-**+***]
2 4 DC 117.746 8.174 3 8 [**+***-*]
2 5 DT 106.491 7.032 6 8 [*****+**]
2 6 DT 36.184 1.322 6 8 [*****+**]
2 7 DT 31.246 1.202 2 6 "[*+*** - ]"
2 8 DT 692.162 13.625 7 8 [******+*]
2 9 DG 183.372 8.838 7 8 [***-**+*]
2 10 DG 17.724 1.432 8 8 [***-***+]
2 11 DG 16.943 1.432 8 8 [****-**+]
2 12 DC 616.350 13.625 7 8 [****-*+*]
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 H4' 1 1 DG H8 3.580 2.860 4.300 4.682 4.569 4.769 0.469 1 0 "[ . ]" 1
2 1 1 DG H1' 1 1 DG H4' 2.370 . 2.840 2.526 2.496 2.553 . 0 0 "[ . ]" 1
3 1 1 DG H1' 1 1 DG H2'' 2.320 . 2.780 2.426 2.382 2.457 . 0 0 "[ . ]" 1
4 1 1 DG H1' 1 1 DG H2' 2.440 . 2.930 2.973 2.943 2.997 0.067 4 0 "[ . ]" 1
5 1 1 DG H3' 1 1 DG H4' 2.180 . 2.620 2.863 2.826 2.897 0.277 2 0 "[ . ]" 1
6 1 1 DG H3' 1 1 DG H8 3.030 2.420 3.640 3.421 3.291 3.613 . 0 0 "[ . ]" 1
7 1 1 DG H1' 1 1 DG H3' 3.130 2.500 3.760 3.831 3.801 3.866 0.106 4 0 "[ . ]" 1
8 1 1 DG H2'' 1 1 DG H3' 2.440 . 2.930 3.013 2.946 3.056 0.126 1 0 "[ . ]" 1
9 1 1 DG H2' 1 1 DG H3' 2.140 . 2.570 2.232 2.221 2.241 . 0 0 "[ . ]" 1
10 1 1 DG H2' 1 1 DG H8 2.370 . 2.840 2.686 2.585 2.814 . 0 0 "[ . ]" 1
11 1 1 DG H2'' 1 1 DG H4' 2.630 2.100 3.160 3.170 3.071 3.299 0.139 4 0 "[ . ]" 1
12 1 1 DG Q5' 1 1 DG H8 3.460 2.770 4.150 4.109 3.862 4.470 0.320 5 0 "[ . ]" 1
13 1 1 DG H1' 1 1 DG H8 3.240 2.590 3.890 3.861 3.828 3.902 0.012 2 0 "[ . ]" 1
14 1 1 DG H2'' 1 2 DG H4' 3.620 2.900 4.340 4.293 4.041 4.489 0.149 3 0 "[ . ]" 1
15 1 1 DG H1' 1 2 DG H4' 3.210 2.570 3.850 4.305 4.008 4.683 0.833 5 4 "[* + *-]" 1
16 1 1 DG H1' 1 2 DG H3' 3.600 2.880 4.320 5.167 4.569 5.657 1.337 2 6 "[ +**.*-*]" 1
17 1 1 DG H8 1 4 DC H5 3.230 2.580 3.880 11.749 11.288 12.053 8.173 3 8 [**+****-] 1
18 1 1 DG H8 1 5 DT M7 6.000 4.800 7.200 13.882 13.322 14.228 7.028 6 8 [*-***+**] 1
19 1 1 DG H1' 1 8 DT M7 5.360 4.290 6.430 13.649 12.992 14.581 8.151 7 8 [**-***+*] 1
20 1 1 DG H8 1 8 DT M7 6.000 4.800 7.200 12.518 12.113 13.094 5.894 7 8 [**-***+*] 1
21 1 2 DG H2'' 1 2 DG H4' 3.080 2.460 3.700 3.822 3.522 4.097 0.397 2 0 "[ . ]" 1
22 1 2 DG H1' 1 2 DG H8 2.210 . 2.650 2.597 2.563 2.657 0.007 3 0 "[ . ]" 1
23 1 2 DG H2' 1 2 DG H4' 3.180 2.540 3.820 3.739 3.651 3.810 . 0 0 "[ . ]" 1
24 1 2 DG H1' 1 2 DG H2' 2.480 . 2.980 3.058 3.045 3.084 0.104 6 0 "[ . ]" 1
25 1 2 DG H2'' 1 2 DG H8 3.190 2.550 3.830 4.059 3.892 4.193 0.363 7 0 "[ . ]" 1
26 1 2 DG H1' 1 2 DG H2'' 2.240 . 2.690 2.431 2.391 2.457 . 0 0 "[ . ]" 1
27 1 2 DG H3' 1 2 DG H8 4.550 3.640 5.460 5.957 5.860 6.029 0.569 3 4 "[ + .**-]" 1
28 1 2 DG H2' 1 2 DG H8 3.770 3.020 4.520 4.637 4.591 4.701 0.181 7 0 "[ . ]" 1
29 1 2 DG H8 1 3 DG H3' 4.400 3.520 5.280 5.608 5.528 5.686 0.406 5 0 "[ . ]" 1
30 1 2 DG H8 1 3 DG Q2' 4.020 3.520 4.820 4.638 4.501 4.725 . 0 0 "[ . ]" 1
31 1 2 DG H8 1 3 DG H1' 3.030 2.420 3.640 3.694 3.533 3.838 0.198 6 0 "[ . ]" 1
32 1 2 DG H1' 1 3 DG H8 3.260 2.610 3.910 4.243 4.050 4.412 0.502 2 1 "[ + . ]" 1
33 1 2 DG H3' 1 3 DG H8 3.460 2.770 4.150 4.939 4.832 5.039 0.889 7 8 [-*****+*] 1
34 1 2 DG H8 1 3 DG H4' 3.390 2.710 4.070 3.658 3.551 3.775 . 0 0 "[ . ]" 1
35 1 2 DG H2' 1 3 DG H8 2.710 2.170 3.250 3.271 3.104 3.588 0.338 7 0 "[ . ]" 1
36 1 2 DG H2'' 1 3 DG H8 2.420 . 2.900 2.558 2.493 2.621 . 0 0 "[ . ]" 1
37 1 2 DG H8 1 3 DG H8 4.130 3.300 4.960 4.391 4.305 4.484 . 0 0 "[ . ]" 1
38 1 3 DG H3' 1 3 DG H4' 2.360 . 2.830 2.757 2.636 2.859 0.029 2 0 "[ . ]" 1
39 1 3 DG H4' 1 3 DG H8 4.150 3.320 4.980 5.084 4.861 5.227 0.247 6 0 "[ . ]" 1
40 1 3 DG H3' 1 3 DG H8 3.290 2.630 3.950 4.662 4.360 4.891 0.941 6 7 "[- ***+**]" 1
41 1 3 DG Q2' 1 3 DG H3' 2.200 . 2.640 2.223 2.163 2.284 . 0 0 "[ . ]" 1
42 1 3 DG Q2' 1 3 DG H4' 3.030 2.420 3.640 3.388 3.346 3.419 . 0 0 "[ . ]" 1
43 1 3 DG Q2' 1 3 DG H8 2.290 2.040 2.750 2.440 2.384 2.491 . 0 0 "[ . ]" 1
44 1 3 DG H1' 1 3 DG H3' 2.890 2.310 3.470 3.658 3.532 3.781 0.311 2 0 "[ . ]" 1
45 1 3 DG H1' 1 3 DG H8 3.470 2.780 4.160 3.959 3.886 4.019 . 0 0 "[ . ]" 1
46 1 3 DG H1' 1 3 DG Q2' 2.250 2.010 2.700 2.374 2.320 2.497 . 0 0 "[ . ]" 1
47 1 3 DG H1' 1 3 DG H4' 2.580 2.060 3.100 2.826 2.694 3.002 . 0 0 "[ . ]" 1
48 1 3 DG Q2' 1 4 DC H6 3.030 2.420 3.310 2.770 2.717 2.888 . 0 0 "[ . ]" 1
49 1 3 DG H8 1 4 DC H6 4.180 3.340 5.020 4.980 4.868 5.269 0.249 2 0 "[ . ]" 1
50 1 3 DG H1' 1 4 DC H6 2.960 2.370 3.550 3.602 3.466 3.936 0.386 7 0 "[ . ]" 1
51 1 3 DG H3' 1 4 DC H6 3.930 3.140 4.720 5.447 5.289 5.641 0.921 2 8 [*+*****-] 1
52 1 3 DG H8 1 4 DC H5 3.770 3.020 4.520 4.280 4.098 4.609 0.089 2 0 "[ . ]" 1
53 1 3 DG Q2' 1 4 DC H5 3.380 2.700 3.560 3.725 3.643 3.849 0.289 7 0 "[ . ]" 1
54 1 4 DC H4' 1 4 DC H6 3.740 2.990 4.490 4.520 4.368 4.631 0.141 7 0 "[ . ]" 1
55 1 4 DC Q5' 1 4 DC H6 3.310 2.650 3.970 3.869 3.544 4.359 0.389 2 0 "[ . ]" 1
56 1 4 DC Q2' 1 4 DC H4' 2.510 2.310 3.010 2.592 2.518 2.858 . 0 0 "[ . ]" 1
57 1 4 DC H1' 1 4 DC Q2' 2.080 . 2.500 2.251 2.204 2.275 . 0 0 "[ . ]" 1
58 1 4 DC Q2' 1 4 DC H3' 2.430 . 2.810 2.352 2.331 2.381 . 0 0 "[ . ]" 1
59 1 4 DC Q2' 1 4 DC H5 . 3.670 4.420 4.416 4.328 4.499 0.079 1 0 "[ . ]" 1
60 1 4 DC H1' 1 4 DC H4' 2.700 2.160 3.240 2.966 2.850 3.100 . 0 0 "[ . ]" 1
61 1 4 DC Q2' 1 4 DC H6 2.350 . 2.820 2.814 2.660 2.937 0.117 6 0 "[ . ]" 1
62 1 4 DC H3' 1 4 DC H4' 2.550 2.040 3.060 3.019 2.935 3.078 0.018 8 0 "[ . ]" 1
63 1 4 DC H1' 1 4 DC H3' 3.280 2.620 3.940 3.787 3.715 3.960 0.020 4 0 "[ . ]" 1
64 1 4 DC H1' 1 4 DC H6 3.280 2.620 3.940 3.732 3.653 3.799 . 0 0 "[ . ]" 1
65 1 4 DC Q2' 1 5 DT M7 3.580 2.860 4.300 3.230 2.603 3.998 0.257 7 0 "[ . ]" 1
66 1 4 DC H6 1 5 DT M7 3.720 2.980 4.460 3.702 3.263 3.933 . 0 0 "[ . ]" 1
67 1 4 DC H3' 1 5 DT H6 3.480 2.780 4.180 3.861 3.571 4.531 0.351 7 0 "[ . ]" 1
68 1 4 DC H4' 1 5 DT H6 4.020 3.220 4.820 5.366 4.922 5.689 0.869 4 5 "[***+. - ]" 1
69 1 4 DC H4' 1 5 DT M7 3.750 3.000 4.500 5.087 4.770 5.414 0.914 4 5 "[**-+. * ]" 1
70 1 4 DC H3' 1 5 DT M7 3.610 2.890 4.330 2.871 2.504 3.271 0.386 6 0 "[ . ]" 1
71 1 5 DT H3' 1 5 DT M7 4.620 3.700 5.540 5.723 5.514 5.997 0.457 7 0 "[ . ]" 1
72 1 5 DT H1' 1 5 DT H3' 3.040 2.430 3.650 3.594 3.441 3.705 0.055 1 0 "[ . ]" 1
73 1 5 DT Q2' 1 5 DT H4' 2.820 2.260 3.380 3.360 3.328 3.382 0.002 3 0 "[ . ]" 1
74 1 5 DT H3' 1 5 DT H6 2.960 2.370 3.550 4.260 4.033 4.505 0.955 7 7 "[ **-**+*]" 1
75 1 5 DT H4' 1 5 DT H6 3.460 2.770 4.150 4.569 4.426 4.868 0.718 7 3 "[ -*+ ]" 1
76 1 5 DT H1' 1 5 DT H4' 2.300 . 2.760 2.713 2.561 2.902 0.142 7 0 "[ . ]" 1
77 1 5 DT H3' 1 5 DT H4' 2.460 . 2.950 2.750 2.645 2.866 . 0 0 "[ . ]" 1
78 1 5 DT Q2' 1 5 DT M7 3.180 2.860 3.820 3.760 3.673 3.820 . 0 0 "[ . ]" 1
79 1 5 DT H1' 1 5 DT Q2' 2.100 . 2.520 2.272 2.211 2.311 . 0 0 "[ . ]" 1
80 1 5 DT H1' 1 5 DT H6 2.900 2.320 3.480 3.693 3.665 3.727 0.247 6 0 "[ . ]" 1
81 1 5 DT Q5' 1 5 DT H6 3.240 2.590 3.890 3.673 3.454 4.124 0.234 7 0 "[ . ]" 1
82 1 5 DT Q5' 1 5 DT M7 3.480 2.780 4.180 4.736 4.569 5.029 0.849 7 4 "[ -**+ ]" 1
83 1 5 DT Q2' 1 5 DT H3' 2.300 . 2.760 2.224 2.192 2.266 . 0 0 "[ . ]" 1
84 1 5 DT H6 1 5 DT M7 2.890 2.310 3.470 2.258 2.219 2.285 0.091 5 0 "[ . ]" 1
85 1 5 DT Q2' 1 5 DT H6 2.280 . 2.740 2.238 2.131 2.320 . 0 0 "[ . ]" 1
86 1 5 DT H4' 1 6 DT H6 3.720 2.980 4.460 4.741 4.586 5.020 0.560 6 1 "[ .+ ]" 1
87 1 5 DT H1' 1 6 DT H3' 3.750 3.000 4.500 4.833 4.270 5.849 1.349 6 2 "[ -.+ ]" 1
88 1 5 DT Q2' 1 6 DT H3' 3.210 2.570 3.850 4.446 4.068 5.002 1.152 8 6 "[ **-**+]" 1
89 1 5 DT H1' 1 6 DT M7 4.120 3.300 4.940 5.115 4.784 5.449 0.509 6 1 "[ .+ ]" 1
90 1 5 DT H3' 1 6 DT M7 3.770 3.020 4.520 2.592 2.057 3.333 0.963 1 5 "[+ - *** ]" 1
91 1 5 DT H4' 1 6 DT M7 3.620 2.900 4.340 4.306 4.045 4.895 0.555 8 1 "[ . +]" 1
92 1 5 DT Q2' 1 7 DT M7 3.850 3.080 4.620 4.231 3.757 4.709 0.089 7 0 "[ . ]" 1
93 1 5 DT H1' 1 7 DT M7 4.390 3.510 5.270 5.777 4.753 6.449 1.179 4 5 "[* *+*- ]" 1
94 1 5 DT H6 1 7 DT M7 4.480 3.580 5.380 5.740 4.960 6.209 0.829 3 4 "[* +*- ]" 1
95 1 6 DT H1' 1 6 DT Q2' 2.190 . 2.630 2.258 2.197 2.344 . 0 0 "[ . ]" 1
96 1 6 DT Q2' 1 6 DT H6 2.200 . 2.640 2.620 2.544 2.726 0.086 2 0 "[ . ]" 1
97 1 6 DT H6 1 6 DT M7 2.750 2.200 3.300 2.336 2.244 2.412 . 0 0 "[ . ]" 1
98 1 6 DT H4' 1 6 DT H6 3.300 2.640 3.960 4.430 4.173 4.652 0.692 1 3 "[+* - ]" 1
99 1 6 DT Q5' 1 6 DT H6 3.380 2.700 4.060 4.102 3.418 4.537 0.477 5 0 "[ . ]" 1
100 1 6 DT H1' 1 6 DT H6 2.870 2.300 3.440 3.605 3.496 3.677 0.237 1 0 "[ . ]" 1
101 1 6 DT H3' 1 6 DT H6 3.190 2.550 3.830 3.372 3.008 4.450 0.620 6 1 "[ .+ ]" 1
102 1 6 DT Q2' 1 6 DT H3' 2.210 . 2.650 2.336 2.235 2.465 . 0 0 "[ . ]" 1
103 1 6 DT H1' 1 6 DT M7 4.060 3.250 4.870 5.058 4.837 5.119 0.249 7 0 "[ . ]" 1
104 1 6 DT H1' 1 6 DT H3' 3.330 2.660 4.000 3.907 3.559 3.997 . 0 0 "[ . ]" 1
105 1 6 DT H3' 1 6 DT H4' 2.460 . 2.950 2.909 2.802 2.968 0.018 7 0 "[ . ]" 1
106 1 6 DT H1' 1 6 DT H4' 2.710 2.170 3.250 2.881 2.800 2.973 . 0 0 "[ . ]" 1
107 1 6 DT Q2' 1 7 DT H6 3.290 2.630 3.950 4.319 3.864 4.569 0.619 2 2 "[ + -. ]" 1
108 1 6 DT H1' 1 7 DT H6 4.000 3.200 4.800 4.205 3.730 4.968 0.168 7 0 "[ . ]" 1
109 1 6 DT Q2' 1 7 DT M7 3.980 3.180 4.780 3.257 2.454 4.050 0.726 7 2 "[ -. + ]" 1
110 1 6 DT H4' 1 7 DT M7 4.130 3.300 4.960 4.061 3.771 4.746 . 0 0 "[ . ]" 1
111 1 6 DT H3' 1 7 DT M7 3.940 3.150 4.730 5.355 4.726 5.933 1.203 2 4 "[-+* * ]" 1
112 1 6 DT H1' 1 7 DT Q5' 3.710 2.970 4.450 4.483 3.949 4.947 0.497 3 0 "[ . ]" 1
113 1 6 DT H6 1 7 DT M7 4.820 3.860 5.780 5.589 5.215 5.872 0.092 5 0 "[ . ]" 1
114 1 6 DT H4' 1 7 DT H6 4.070 3.260 4.880 4.065 3.586 4.619 . 0 0 "[ . ]" 1
115 1 7 DT H4' 1 7 DT M7 4.650 3.720 5.580 6.029 5.856 6.174 0.594 1 3 "[+ * . - ]" 1
116 1 7 DT H1' 1 7 DT Q2' 2.550 2.040 2.680 2.391 2.323 2.441 . 0 0 "[ . ]" 1
117 1 7 DT H1' 1 7 DT M7 5.120 4.100 6.140 5.012 4.908 5.078 . 0 0 "[ . ]" 1
118 1 7 DT Q2' 1 7 DT M7 3.260 2.930 3.910 3.884 3.702 4.068 0.158 4 0 "[ . ]" 1
119 1 7 DT H1' 1 7 DT H6 3.070 2.460 3.680 3.690 3.556 3.775 0.095 1 0 "[ . ]" 1
120 1 7 DT Q2' 1 7 DT H4' 3.010 2.410 3.490 3.219 2.996 3.399 . 0 0 "[ . ]" 1
121 1 7 DT H1' 1 7 DT H3' 3.250 2.600 3.900 4.041 3.989 4.102 0.202 1 0 "[ . ]" 1
122 1 7 DT Q5' 1 7 DT H6 3.220 2.580 3.860 3.509 3.236 3.632 . 0 0 "[ . ]" 1
123 1 7 DT H1' 1 7 DT H4' 3.120 2.500 3.740 3.388 3.089 3.944 0.204 7 0 "[ . ]" 1
124 1 7 DT H4' 1 7 DT H6 3.580 2.860 4.300 4.719 4.343 4.999 0.699 7 3 "[* -. + ]" 1
125 1 7 DT H6 1 7 DT M7 2.720 2.180 3.260 2.221 2.113 2.271 0.067 7 0 "[ . ]" 1
126 1 7 DT H1' 1 7 DT Q5' 3.960 3.170 4.750 4.241 3.904 4.455 . 0 0 "[ . ]" 1
127 1 7 DT Q2' 1 7 DT H6 2.400 . 2.830 2.368 2.196 2.477 . 0 0 "[ . ]" 1
128 1 7 DT H3' 1 7 DT H4' 2.500 . 3.000 2.911 2.815 2.994 . 0 0 "[ . ]" 1
129 1 7 DT H3' 1 7 DT M7 4.600 3.680 5.520 4.581 4.112 5.105 . 0 0 "[ . ]" 1
130 1 7 DT H3' 1 7 DT H6 2.800 2.240 3.360 3.127 2.764 3.653 0.293 6 0 "[ . ]" 1
131 1 7 DT Q2' 1 7 DT H3' 2.170 . 2.600 2.199 2.085 2.328 . 0 0 "[ . ]" 1
132 1 7 DT H3' 1 8 DT M7 4.670 3.740 5.600 5.227 4.723 5.974 0.374 7 0 "[ . ]" 1
133 1 7 DT H4' 1 8 DT M7 5.250 4.200 6.300 5.072 4.395 5.844 . 0 0 "[ . ]" 1
134 1 7 DT H1' 1 8 DT H6 4.240 3.390 5.090 4.609 4.269 5.282 0.192 8 0 "[ . ]" 1
135 1 7 DT H1' 1 8 DT M7 4.190 3.350 5.030 3.902 3.325 4.347 0.025 4 0 "[ . ]" 1
136 1 7 DT Q2' 1 8 DT H6 3.250 2.820 3.900 3.688 3.472 3.794 . 0 0 "[ . ]" 1
137 1 7 DT H4' 1 8 DT H6 4.270 3.420 5.120 4.628 3.924 5.544 0.424 6 0 "[ . ]" 1
138 1 7 DT H6 1 8 DT M7 4.930 3.940 5.920 6.010 5.595 6.144 0.224 7 0 "[ . ]" 1
139 1 8 DT H1' 1 8 DT M7 5.480 4.380 6.580 4.870 4.647 4.984 . 0 0 "[ . ]" 1
140 1 8 DT H1' 1 8 DT H3' 3.280 2.620 3.940 3.586 3.498 3.835 . 0 0 "[ . ]" 1
141 1 8 DT H1' 1 8 DT Q5' 4.210 3.370 5.050 4.273 4.153 4.367 . 0 0 "[ . ]" 1
142 1 8 DT H1' 1 8 DT H4' 2.890 2.310 3.470 3.256 2.946 3.541 0.071 5 0 "[ . ]" 1
143 1 8 DT H1' 1 8 DT H6 3.020 2.420 3.620 3.298 3.027 3.452 . 0 0 "[ . ]" 1
144 1 8 DT H6 1 8 DT M7 2.920 2.340 3.500 2.309 2.213 2.361 0.127 7 0 "[ . ]" 1
145 1 8 DT Q5' 1 8 DT H6 3.270 2.620 3.920 3.925 3.496 4.326 0.406 1 0 "[ . ]" 1
146 1 8 DT H1' 1 8 DT Q2' 2.610 2.090 2.800 2.325 2.280 2.365 . 0 0 "[ . ]" 1
147 1 8 DT H4' 1 8 DT H6 3.550 2.840 4.260 4.248 4.113 4.403 0.143 7 0 "[ . ]" 1
148 1 8 DT Q2' 1 8 DT H3' 2.420 . 2.740 2.303 2.211 2.345 . 0 0 "[ . ]" 1
149 1 8 DT H3' 1 8 DT H4' 2.390 . 2.870 2.759 2.661 3.004 0.134 5 0 "[ . ]" 1
150 1 8 DT Q2' 1 8 DT H4' 3.060 2.450 3.670 3.304 2.601 3.452 . 0 0 "[ . ]" 1
151 1 8 DT H1' 1 9 DG Q5' 3.620 2.900 4.340 4.825 4.755 4.920 0.580 8 3 "[* . -+]" 1
152 1 8 DT H3' 1 9 DG H8 4.300 3.440 5.160 4.704 4.361 5.499 0.339 5 0 "[ . ]" 1
153 1 8 DT H4' 1 9 DG H8 3.010 2.410 3.610 3.513 3.203 3.758 0.148 2 0 "[ . ]" 1
154 1 8 DT H6 1 9 DG H8 5.280 4.220 6.340 6.238 5.691 6.512 0.172 8 0 "[ . ]" 1
155 1 8 DT H3' 1 12 DC H5 3.770 3.020 4.520 16.634 15.953 18.146 13.626 7 8 [**-***+*] 1
156 1 8 DT Q2' 1 12 DC H5 3.020 2.770 3.620 15.098 13.900 15.886 12.266 8 8 [****-**+] 1
157 1 8 DT M7 1 12 DC H1' 5.570 4.460 6.680 15.294 14.485 15.758 9.078 7 8 [**-***+*] 1
158 1 8 DT H6 1 12 DC H5 4.040 3.230 4.850 15.617 14.768 16.252 11.402 8 8 [****-**+] 1
159 1 9 DG H3' 1 9 DG Q5' 2.150 . 2.580 2.606 2.448 2.657 0.077 3 0 "[ . ]" 1
160 1 9 DG Q5' 1 9 DG H8 3.040 2.430 3.650 3.609 3.501 3.758 0.108 4 0 "[ . ]" 1
161 1 9 DG H2'' 1 9 DG H3' 2.380 . 2.860 2.749 2.739 2.764 . 0 0 "[ . ]" 1
162 1 9 DG H1' 1 9 DG H3' 3.090 2.470 3.710 3.806 3.766 3.838 0.128 5 0 "[ . ]" 1
163 1 9 DG H4' 1 9 DG H8 4.100 3.280 4.920 4.767 4.666 4.892 . 0 0 "[ . ]" 1
164 1 9 DG H1' 1 9 DG H4' 2.810 2.250 3.370 3.361 3.093 3.496 0.126 8 0 "[ . ]" 1
165 1 9 DG H2' 1 9 DG H4' 2.830 2.260 3.400 3.631 3.593 3.752 0.352 5 0 "[ . ]" 1
166 1 9 DG H1' 1 9 DG H2' 2.460 . 2.950 3.139 3.111 3.180 0.230 7 0 "[ . ]" 1
167 1 9 DG H1' 1 9 DG H8 3.350 2.680 4.020 3.886 3.840 3.933 . 0 0 "[ . ]" 1
168 1 9 DG H2' 1 9 DG H8 2.260 . 2.710 2.373 2.312 2.409 . 0 0 "[ . ]" 1
169 1 9 DG H2'' 1 9 DG H8 2.660 2.130 3.190 3.626 3.537 3.721 0.531 2 1 "[ + . ]" 1
170 1 9 DG H2' 1 9 DG Q5' 2.980 2.380 3.580 3.197 3.054 3.260 . 0 0 "[ . ]" 1
171 1 9 DG H1' 1 9 DG H2'' 2.370 . 2.840 2.525 2.513 2.545 . 0 0 "[ . ]" 1
172 1 9 DG H1' 1 10 DG H4' 3.230 2.580 3.880 4.138 3.934 4.391 0.511 4 1 "[ +. ]" 1
173 1 9 DG H8 1 12 DC H5 3.260 2.610 3.910 12.206 11.832 12.750 8.840 7 8 [***-**+*] 1
174 1 9 DG H8 1 12 DC H6 4.490 3.590 5.390 13.736 13.330 14.212 8.822 8 8 [****-**+] 1
175 1 10 DG H2'' 1 10 DG H8 3.220 2.580 3.860 3.924 3.744 4.096 0.236 4 0 "[ . ]" 1
176 1 10 DG H1' 1 10 DG H2'' 2.250 . 2.700 2.436 2.414 2.459 . 0 0 "[ . ]" 1
177 1 10 DG H1' 1 10 DG H2' 2.440 . 2.930 3.066 3.053 3.095 0.165 8 0 "[ . ]" 1
178 1 10 DG H1' 1 10 DG H8 2.170 . 2.600 2.577 2.550 2.599 . 0 0 "[ . ]" 1
179 1 10 DG H2' 1 10 DG H4' 3.100 2.480 3.720 3.626 3.590 3.667 . 0 0 "[ . ]" 1
180 1 10 DG H3' 1 10 DG H8 4.450 3.560 5.340 5.928 5.842 6.004 0.664 4 8 [**-+****] 1
181 1 10 DG H2' 1 10 DG H8 3.750 3.000 4.500 4.577 4.481 4.650 0.150 2 0 "[ . ]" 1
182 1 10 DG H2'' 1 10 DG H4' 3.030 2.420 3.640 4.121 4.069 4.172 0.532 3 2 "[ + . - ]" 1
183 1 10 DG H8 1 11 DG Q2' 4.400 3.520 5.090 4.799 4.689 4.929 . 0 0 "[ . ]" 1
184 1 10 DG H8 1 11 DG H4' 3.350 2.680 4.020 3.826 3.679 4.203 0.183 8 0 "[ . ]" 1
185 1 10 DG H2'' 1 11 DG H8 2.330 . 2.800 2.524 2.309 2.678 . 0 0 "[ . ]" 1
186 1 10 DG H2' 1 11 DG H8 2.740 2.190 3.290 3.379 2.981 3.529 0.239 2 0 "[ . ]" 1
187 1 10 DG H8 1 11 DG H8 4.180 3.340 5.020 4.347 4.247 4.521 . 0 0 "[ . ]" 1
188 1 11 DG H4' 1 11 DG H8 3.920 3.140 4.700 4.913 4.774 5.090 0.390 3 0 "[ . ]" 1
189 1 11 DG Q2' 1 11 DG H3' 2.180 . 2.620 2.273 2.148 2.307 . 0 0 "[ . ]" 1
190 1 11 DG H1' 1 11 DG H8 3.020 2.420 3.620 3.867 3.836 3.929 0.309 3 0 "[ . ]" 1
191 1 11 DG Q2' 1 11 DG H4' 3.020 2.510 3.620 3.404 3.326 3.441 . 0 0 "[ . ]" 1
192 1 11 DG Q2' 1 11 DG H8 2.190 . 2.630 2.418 2.213 2.559 . 0 0 "[ . ]" 1
193 1 11 DG H1' 1 11 DG Q2' 2.330 . 2.680 2.310 2.251 2.375 . 0 0 "[ . ]" 1
194 1 11 DG H1' 1 12 DC H6 2.750 2.200 3.300 3.352 3.011 3.611 0.311 5 0 "[ . ]" 1
195 1 11 DG Q2' 1 12 DC H6 2.870 2.300 3.140 2.522 2.413 2.622 . 0 0 "[ . ]" 1
196 1 11 DG Q2' 1 12 DC H5 3.070 2.460 3.480 3.448 3.307 3.519 0.039 4 0 "[ . ]" 1
197 1 11 DG H8 1 12 DC H6 3.990 3.190 4.790 4.951 4.585 5.223 0.433 4 0 "[ . ]" 1
198 1 11 DG H3' 1 12 DC H6 3.620 2.900 4.340 5.021 4.863 5.314 0.974 3 8 [**+*-***] 1
199 1 11 DG H8 1 12 DC H5 3.590 2.870 4.310 4.115 3.725 4.446 0.136 4 0 "[ . ]" 1
200 1 12 DC H2' 1 12 DC H6 2.230 . 2.680 2.506 2.392 2.626 . 0 0 "[ . ]" 1
201 1 12 DC H2'' 1 12 DC H3' 2.510 2.010 3.010 3.023 2.961 3.066 0.056 4 0 "[ . ]" 1
202 1 12 DC H1' 1 12 DC H6 3.420 2.740 4.100 3.804 3.748 3.838 . 0 0 "[ . ]" 1
203 1 12 DC H2' 1 12 DC H5 3.510 2.810 4.210 4.570 4.438 4.615 0.405 5 0 "[ . ]" 1
204 1 12 DC H1' 1 12 DC Q5' 3.630 2.900 4.360 4.062 4.012 4.196 . 0 0 "[ . ]" 1
205 1 12 DC H1' 1 12 DC H4' 2.750 2.200 3.300 3.125 2.890 3.298 . 0 0 "[ . ]" 1
206 1 12 DC H1' 1 12 DC H2'' 2.300 . 2.760 2.496 2.480 2.517 . 0 0 "[ . ]" 1
207 1 12 DC H1' 1 12 DC H2' 2.640 2.110 3.170 2.966 2.930 3.051 . 0 0 "[ . ]" 1
208 1 12 DC H3' 1 12 DC H4' 2.320 . 2.780 2.942 2.891 2.960 0.180 2 0 "[ . ]" 1
209 1 12 DC H3' 1 12 DC H6 3.160 2.530 3.790 2.981 2.835 3.370 . 0 0 "[ . ]" 1
210 1 12 DC H2'' 1 12 DC H4' 2.490 . 2.990 2.775 2.596 3.147 0.157 3 0 "[ . ]" 1
211 1 12 DC Q5' 1 12 DC H6 3.180 2.540 3.820 4.060 3.864 4.295 0.475 4 0 "[ . ]" 1
212 1 12 DC H1' 1 12 DC H3' 3.490 2.790 4.190 3.929 3.816 4.054 . 0 0 "[ . ]" 1
213 1 3 DG H1 1 9 DG H1 3.000 2.400 3.600 3.648 3.615 3.686 0.086 2 0 "[ . ]" 1
214 1 1 DG H1 1 11 DG H1 3.000 2.400 3.600 3.583 3.506 3.647 0.047 5 0 "[ . ]" 1
215 1 2 DG H1 1 11 DG H1 4.000 3.200 4.800 4.330 4.303 4.377 . 0 0 "[ . ]" 1
216 1 2 DG H1 1 3 DG H1 4.000 3.200 4.800 5.840 5.340 6.228 1.428 5 8 [****+**-] 1
217 1 9 DG H1 1 10 DG H8 4.000 3.200 4.800 4.777 4.666 4.908 0.108 8 0 "[ . ]" 1
218 1 5 DT H1' 1 9 DG H1 5.000 4.000 6.000 5.861 5.334 6.054 0.054 3 0 "[ . ]" 1
219 1 4 DC H5 1 9 DG H1 5.000 4.000 6.000 5.220 5.120 5.298 . 0 0 "[ . ]" 1
220 1 1 DG H1 1 2 DG H8 4.000 3.200 4.800 4.675 4.447 4.820 0.020 3 0 "[ . ]" 1
221 1 1 DG H1 1 8 DT H6 4.000 3.200 4.800 15.184 14.403 16.272 11.472 7 8 [**-***+*] 1
222 1 1 DG H1 1 12 DC H1' 5.000 4.000 6.000 4.782 4.678 4.890 . 0 0 "[ . ]" 1
223 1 1 DG H1 1 12 DC H5 5.000 4.000 6.000 5.106 5.032 5.188 . 0 0 "[ . ]" 1
224 1 1 DG H1 1 8 DT M7 4.000 3.200 4.800 13.039 12.462 13.880 9.080 7 8 [**-***+*] 1
225 1 11 DG H1 1 12 DC Q4 4.000 3.200 4.800 3.115 2.999 3.353 0.201 4 0 "[ . ]" 1
226 1 2 DG H8 1 11 DG H1 5.000 4.000 6.000 5.135 4.881 5.338 . 0 0 "[ . ]" 1
227 1 3 DG H1 1 10 DG H8 5.000 4.000 6.000 4.989 4.832 5.268 . 0 0 "[ . ]" 1
228 1 3 DG H1 1 4 DC Q4 4.000 3.200 4.800 3.398 3.219 3.674 . 0 0 "[ . ]" 1
229 1 10 DG H1 1 11 DG H8 5.000 4.000 6.000 6.347 5.872 7.433 1.433 8 2 "[ . -+]" 1
230 1 9 DG H8 1 10 DG H1 4.000 3.200 4.800 4.674 4.488 4.864 0.064 2 0 "[ . ]" 1
231 1 2 DG H1 1 3 DG H8 5.000 4.000 6.000 5.960 5.654 6.218 0.218 3 0 "[ . ]" 1
232 1 1 DG H8 1 2 DG H1 5.000 4.000 6.000 4.583 4.396 4.775 . 0 0 "[ . ]" 1
233 1 9 DG H1' 1 10 DG H1 5.000 4.000 6.000 5.789 5.503 6.024 0.024 5 0 "[ . ]" 1
234 1 1 DG H3' 1 2 DG H1 5.000 4.000 6.000 6.250 6.187 6.327 0.327 8 0 "[ . ]" 1
235 1 9 DG H2'' 1 10 DG H1 5.000 4.000 6.000 5.629 5.378 5.954 . 0 0 "[ . ]" 1
236 1 1 DG H2'' 1 2 DG H1 5.000 4.000 6.000 5.028 4.710 5.393 . 0 0 "[ . ]" 1
237 1 9 DG H8 1 12 DC Q4 5.000 4.000 6.000 10.213 9.829 10.875 4.875 7 8 [***-**+*] 1
238 1 1 DG H8 1 4 DC Q4 5.000 4.000 6.000 10.312 9.917 10.497 4.497 3 8 [**+****-] 1
239 1 8 DT H1' 1 12 DC Q4 5.000 4.000 6.000 11.980 11.444 12.570 6.570 8 8 [****-**+] 1
240 1 8 DT M7 1 12 DC Q4 5.000 4.000 6.000 11.295 11.007 11.873 5.873 7 8 [**-***+*] 1
241 1 4 DC Q4 1 4 DC H6 5.000 4.000 6.000 4.526 4.476 4.549 . 0 0 "[ . ]" 1
242 2 1 DG H4' 2 1 DG H8 3.580 2.860 4.300 4.684 4.573 4.767 0.467 1 0 "[ . ]" 1
243 2 1 DG H1' 2 1 DG H4' 2.370 . 2.840 2.529 2.517 2.551 . 0 0 "[ . ]" 1
244 2 1 DG H1' 2 1 DG H2'' 2.320 . 2.780 2.429 2.382 2.454 . 0 0 "[ . ]" 1
245 2 1 DG H1' 2 1 DG H2' 2.440 . 2.930 2.973 2.940 2.993 0.063 4 0 "[ . ]" 1
246 2 1 DG H3' 2 1 DG H4' 2.180 . 2.620 2.865 2.813 2.893 0.273 2 0 "[ . ]" 1
247 2 1 DG H3' 2 1 DG H8 3.030 2.420 3.640 3.422 3.294 3.621 . 0 0 "[ . ]" 1
248 2 1 DG H1' 2 1 DG H3' 3.130 2.500 3.760 3.833 3.802 3.867 0.107 4 0 "[ . ]" 1
249 2 1 DG H2'' 2 1 DG H3' 2.440 . 2.930 3.010 2.950 3.058 0.128 1 0 "[ . ]" 1
250 2 1 DG H2' 2 1 DG H3' 2.140 . 2.570 2.229 2.209 2.246 . 0 0 "[ . ]" 1
251 2 1 DG H2' 2 1 DG H8 2.370 . 2.840 2.683 2.573 2.793 . 0 0 "[ . ]" 1
252 2 1 DG H2'' 2 1 DG H4' 2.630 2.100 3.160 3.173 3.069 3.308 0.148 4 0 "[ . ]" 1
253 2 1 DG Q5' 2 1 DG H8 3.460 2.770 4.150 4.106 3.858 4.471 0.321 5 0 "[ . ]" 1
254 2 1 DG H1' 2 1 DG H8 3.240 2.590 3.890 3.861 3.830 3.906 0.016 2 0 "[ . ]" 1
255 2 1 DG H2'' 2 2 DG H4' 3.620 2.900 4.340 4.295 4.054 4.485 0.145 3 0 "[ . ]" 1
256 2 1 DG H1' 2 2 DG H4' 3.210 2.570 3.850 4.307 4.008 4.689 0.839 5 4 "[* + *-]" 1
257 2 1 DG H1' 2 2 DG H3' 3.600 2.880 4.320 5.166 4.567 5.659 1.339 2 6 "[ +**.*-*]" 1
258 2 1 DG H8 2 4 DC H5 3.230 2.580 3.880 11.751 11.289 12.054 8.174 3 8 [**+****-] 1
259 2 1 DG H8 2 5 DT M7 6.000 4.800 7.200 13.890 13.323 14.232 7.032 6 8 [*-***+**] 1
260 2 1 DG H1' 2 8 DT M7 5.360 4.290 6.430 13.647 12.975 14.568 8.138 7 8 [**-***+*] 1
261 2 1 DG H8 2 8 DT M7 6.000 4.800 7.200 12.514 12.090 13.081 5.881 7 8 [**-***+*] 1
262 2 2 DG H2'' 2 2 DG H4' 3.080 2.460 3.700 3.821 3.509 4.098 0.398 2 0 "[ . ]" 1
263 2 2 DG H1' 2 2 DG H8 2.210 . 2.650 2.598 2.549 2.657 0.007 3 0 "[ . ]" 1
264 2 2 DG H2' 2 2 DG H4' 3.180 2.540 3.820 3.738 3.644 3.815 . 0 0 "[ . ]" 1
265 2 2 DG H1' 2 2 DG H2' 2.480 . 2.980 3.058 3.043 3.086 0.106 6 0 "[ . ]" 1
266 2 2 DG H2'' 2 2 DG H8 3.190 2.550 3.830 4.059 3.877 4.187 0.357 5 0 "[ . ]" 1
267 2 2 DG H1' 2 2 DG H2'' 2.240 . 2.690 2.434 2.390 2.481 . 0 0 "[ . ]" 1
268 2 2 DG H3' 2 2 DG H8 4.550 3.640 5.460 5.956 5.844 6.028 0.568 3 4 "[ + .**-]" 1
269 2 2 DG H2' 2 2 DG H8 3.770 3.020 4.520 4.635 4.587 4.699 0.179 7 0 "[ . ]" 1
270 2 2 DG H8 2 3 DG H3' 4.400 3.520 5.280 5.608 5.510 5.704 0.424 5 0 "[ . ]" 1
271 2 2 DG H8 2 3 DG Q2' 4.020 3.520 4.820 4.635 4.492 4.757 . 0 0 "[ . ]" 1
272 2 2 DG H8 2 3 DG H1' 3.030 2.420 3.640 3.694 3.535 3.823 0.183 6 0 "[ . ]" 1
273 2 2 DG H1' 2 3 DG H8 3.260 2.610 3.910 4.246 4.040 4.419 0.509 2 1 "[ + . ]" 1
274 2 2 DG H3' 2 3 DG H8 3.460 2.770 4.150 4.940 4.828 5.041 0.891 4 8 [-**+****] 1
275 2 2 DG H8 2 3 DG H4' 3.390 2.710 4.070 3.656 3.551 3.773 . 0 0 "[ . ]" 1
276 2 2 DG H2' 2 3 DG H8 2.710 2.170 3.250 3.272 3.096 3.581 0.331 7 0 "[ . ]" 1
277 2 2 DG H2'' 2 3 DG H8 2.420 . 2.900 2.557 2.492 2.628 . 0 0 "[ . ]" 1
278 2 2 DG H8 2 3 DG H8 4.130 3.300 4.960 4.391 4.301 4.486 . 0 0 "[ . ]" 1
279 2 3 DG H3' 2 3 DG H4' 2.360 . 2.830 2.760 2.636 2.856 0.026 2 0 "[ . ]" 1
280 2 3 DG H4' 2 3 DG H8 4.150 3.320 4.980 5.083 4.863 5.227 0.247 6 0 "[ . ]" 1
281 2 3 DG H3' 2 3 DG H8 3.290 2.630 3.950 4.662 4.372 4.907 0.957 6 7 "[- ***+**]" 1
282 2 3 DG Q2' 2 3 DG H3' 2.200 . 2.640 2.225 2.122 2.283 . 0 0 "[ . ]" 1
283 2 3 DG Q2' 2 3 DG H4' 3.030 2.420 3.640 3.390 3.346 3.423 . 0 0 "[ . ]" 1
284 2 3 DG Q2' 2 3 DG H8 2.290 2.040 2.750 2.435 2.374 2.490 . 0 0 "[ . ]" 1
285 2 3 DG H1' 2 3 DG H3' 2.890 2.310 3.470 3.659 3.532 3.795 0.325 2 0 "[ . ]" 1
286 2 3 DG H1' 2 3 DG H8 3.470 2.780 4.160 3.959 3.886 4.020 . 0 0 "[ . ]" 1
287 2 3 DG H1' 2 3 DG Q2' 2.250 2.010 2.700 2.381 2.331 2.475 . 0 0 "[ . ]" 1
288 2 3 DG H1' 2 3 DG H4' 2.580 2.060 3.100 2.826 2.698 3.004 . 0 0 "[ . ]" 1
289 2 3 DG Q2' 2 4 DC H6 3.030 2.420 3.310 2.773 2.719 2.888 . 0 0 "[ . ]" 1
290 2 3 DG H8 2 4 DC H6 4.180 3.340 5.020 4.984 4.884 5.327 0.307 2 0 "[ . ]" 1
291 2 3 DG H1' 2 4 DC H6 2.960 2.370 3.550 3.603 3.487 3.933 0.383 7 0 "[ . ]" 1
292 2 3 DG H3' 2 4 DC H6 3.930 3.140 4.720 5.447 5.294 5.666 0.946 2 8 [*+*****-] 1
293 2 3 DG H8 2 4 DC H5 3.770 3.020 4.520 4.280 4.096 4.640 0.120 2 0 "[ . ]" 1
294 2 3 DG Q2' 2 4 DC H5 3.380 2.700 3.560 3.722 3.562 3.849 0.289 7 0 "[ . ]" 1
295 2 4 DC H4' 2 4 DC H6 3.740 2.990 4.490 4.516 4.407 4.628 0.138 7 0 "[ . ]" 1
296 2 4 DC Q5' 2 4 DC H6 3.310 2.650 3.970 3.866 3.540 4.330 0.360 2 0 "[ . ]" 1
297 2 4 DC Q2' 2 4 DC H4' 2.510 2.310 3.010 2.594 2.517 2.856 . 0 0 "[ . ]" 1
298 2 4 DC H1' 2 4 DC Q2' 2.080 . 2.500 2.252 2.208 2.276 . 0 0 "[ . ]" 1
299 2 4 DC Q2' 2 4 DC H3' 2.430 . 2.810 2.348 2.323 2.370 . 0 0 "[ . ]" 1
300 2 4 DC Q2' 2 4 DC H5 . 3.670 4.420 4.411 4.331 4.482 0.062 1 0 "[ . ]" 1
301 2 4 DC H1' 2 4 DC H4' 2.700 2.160 3.240 2.966 2.850 3.100 . 0 0 "[ . ]" 1
302 2 4 DC Q2' 2 4 DC H6 2.350 . 2.820 2.805 2.654 2.904 0.084 6 0 "[ . ]" 1
303 2 4 DC H3' 2 4 DC H4' 2.550 2.040 3.060 3.018 2.939 3.078 0.018 8 0 "[ . ]" 1
304 2 4 DC H1' 2 4 DC H3' 3.280 2.620 3.940 3.788 3.718 3.959 0.019 4 0 "[ . ]" 1
305 2 4 DC H1' 2 4 DC H6 3.280 2.620 3.940 3.729 3.652 3.799 . 0 0 "[ . ]" 1
306 2 4 DC Q2' 2 5 DT M7 3.580 2.860 4.300 3.239 2.600 3.997 0.260 7 0 "[ . ]" 1
307 2 4 DC H6 2 5 DT M7 3.720 2.980 4.460 3.715 3.206 3.950 . 0 0 "[ . ]" 1
308 2 4 DC H3' 2 5 DT H6 3.480 2.780 4.180 3.863 3.570 4.533 0.353 7 0 "[ . ]" 1
309 2 4 DC H4' 2 5 DT H6 4.020 3.220 4.820 5.367 4.932 5.688 0.868 4 5 "[***+. - ]" 1
310 2 4 DC H4' 2 5 DT M7 3.750 3.000 4.500 5.092 4.758 5.432 0.932 4 5 "[**-+. * ]" 1
311 2 4 DC H3' 2 5 DT M7 3.610 2.890 4.330 2.894 2.496 3.272 0.394 6 0 "[ . ]" 1
312 2 5 DT H3' 2 5 DT M7 4.620 3.700 5.540 5.726 5.543 5.995 0.455 7 0 "[ . ]" 1
313 2 5 DT H1' 2 5 DT H3' 3.040 2.430 3.650 3.594 3.451 3.712 0.062 1 0 "[ . ]" 1
314 2 5 DT Q2' 2 5 DT H4' 2.820 2.260 3.380 3.360 3.310 3.385 0.005 3 0 "[ . ]" 1
315 2 5 DT H3' 2 5 DT H6 2.960 2.370 3.550 4.261 4.062 4.503 0.953 7 8 [-*****+*] 1
316 2 5 DT H4' 2 5 DT H6 3.460 2.770 4.150 4.565 4.430 4.834 0.684 7 3 "[ -*+ ]" 1
317 2 5 DT H1' 2 5 DT H4' 2.300 . 2.760 2.701 2.564 2.913 0.153 6 0 "[ . ]" 1
318 2 5 DT H3' 2 5 DT H4' 2.460 . 2.950 2.754 2.655 2.866 . 0 0 "[ . ]" 1
319 2 5 DT Q2' 2 5 DT M7 3.180 2.860 3.820 3.761 3.676 3.824 0.004 3 0 "[ . ]" 1
320 2 5 DT H1' 2 5 DT Q2' 2.100 . 2.520 2.273 2.184 2.333 . 0 0 "[ . ]" 1
321 2 5 DT H1' 2 5 DT H6 2.900 2.320 3.480 3.696 3.662 3.743 0.263 5 0 "[ . ]" 1
322 2 5 DT Q5' 2 5 DT H6 3.240 2.590 3.890 3.674 3.458 4.123 0.233 7 0 "[ . ]" 1
323 2 5 DT Q5' 2 5 DT M7 3.480 2.780 4.180 4.739 4.579 5.027 0.847 7 4 "[ *-*+ ]" 1
324 2 5 DT Q2' 2 5 DT H3' 2.300 . 2.760 2.226 2.194 2.266 . 0 0 "[ . ]" 1
325 2 5 DT H6 2 5 DT M7 2.890 2.310 3.470 2.264 2.216 2.285 0.094 5 0 "[ . ]" 1
326 2 5 DT Q2' 2 5 DT H6 2.280 . 2.740 2.239 2.138 2.313 . 0 0 "[ . ]" 1
327 2 5 DT H4' 2 6 DT H6 3.720 2.980 4.460 4.750 4.582 5.053 0.593 6 1 "[ .+ ]" 1
328 2 5 DT H1' 2 6 DT H3' 3.750 3.000 4.500 4.831 4.295 5.822 1.322 6 2 "[ -.+ ]" 1
329 2 5 DT Q2' 2 6 DT H3' 3.210 2.570 3.850 4.446 4.068 4.991 1.141 8 6 "[ **-**+]" 1
330 2 5 DT H1' 2 6 DT M7 4.120 3.300 4.940 5.126 4.810 5.442 0.502 6 1 "[ .+ ]" 1
331 2 5 DT H3' 2 6 DT M7 3.770 3.020 4.520 2.548 2.150 3.251 0.870 1 6 "[+*- *** ]" 1
332 2 5 DT H4' 2 6 DT M7 3.620 2.900 4.340 4.312 4.084 4.770 0.430 8 0 "[ . ]" 1
333 2 5 DT Q2' 2 7 DT M7 3.850 3.080 4.620 4.223 3.771 4.765 0.145 7 0 "[ . ]" 1
334 2 5 DT H1' 2 7 DT M7 4.390 3.510 5.270 5.779 4.711 6.459 1.189 4 4 "[* *+- ]" 1
335 2 5 DT H6 2 7 DT M7 4.480 3.580 5.380 5.724 4.855 6.175 0.795 1 4 "[+ **- ]" 1
336 2 6 DT H1' 2 6 DT Q2' 2.190 . 2.630 2.264 2.206 2.346 . 0 0 "[ . ]" 1
337 2 6 DT Q2' 2 6 DT H6 2.200 . 2.640 2.581 2.516 2.628 . 0 0 "[ . ]" 1
338 2 6 DT H6 2 6 DT M7 2.750 2.200 3.300 2.357 2.251 2.435 . 0 0 "[ . ]" 1
339 2 6 DT H4' 2 6 DT H6 3.300 2.640 3.960 4.423 4.171 4.646 0.686 1 3 "[+- * ]" 1
340 2 6 DT Q5' 2 6 DT H6 3.380 2.700 4.060 4.097 3.410 4.531 0.471 5 0 "[ . ]" 1
341 2 6 DT H1' 2 6 DT H6 2.870 2.300 3.440 3.600 3.497 3.672 0.232 1 0 "[ . ]" 1
342 2 6 DT H3' 2 6 DT H6 3.190 2.550 3.830 3.371 3.004 4.446 0.616 6 1 "[ .+ ]" 1
343 2 6 DT Q2' 2 6 DT H3' 2.210 . 2.650 2.332 2.234 2.440 . 0 0 "[ . ]" 1
344 2 6 DT H1' 2 6 DT M7 4.060 3.250 4.870 5.060 4.840 5.137 0.267 7 0 "[ . ]" 1
345 2 6 DT H1' 2 6 DT H3' 3.330 2.660 4.000 3.910 3.558 4.004 0.004 2 0 "[ . ]" 1
346 2 6 DT H3' 2 6 DT H4' 2.460 . 2.950 2.904 2.795 2.966 0.016 7 0 "[ . ]" 1
347 2 6 DT H1' 2 6 DT H4' 2.710 2.170 3.250 2.881 2.803 2.965 . 0 0 "[ . ]" 1
348 2 6 DT Q2' 2 7 DT H6 3.290 2.630 3.950 4.344 3.857 4.669 0.719 2 2 "[ + -. ]" 1
349 2 6 DT H1' 2 7 DT H6 4.000 3.200 4.800 4.206 3.736 4.970 0.170 7 0 "[ . ]" 1
350 2 6 DT Q2' 2 7 DT M7 3.980 3.180 4.780 3.271 2.457 4.101 0.723 7 2 "[ -. + ]" 1
351 2 6 DT H4' 2 7 DT M7 4.130 3.300 4.960 4.065 3.810 4.598 . 0 0 "[ . ]" 1
352 2 6 DT H3' 2 7 DT M7 3.940 3.150 4.730 5.360 4.638 5.932 1.202 2 4 "[-+* * ]" 1
353 2 6 DT H1' 2 7 DT Q5' 3.710 2.970 4.450 4.478 3.941 4.938 0.488 3 0 "[ . ]" 1
354 2 6 DT H6 2 7 DT M7 4.820 3.860 5.780 5.594 5.216 5.875 0.095 5 0 "[ . ]" 1
355 2 6 DT H4' 2 7 DT H6 4.070 3.260 4.880 4.069 3.593 4.620 . 0 0 "[ . ]" 1
356 2 7 DT H4' 2 7 DT M7 4.650 3.720 5.580 6.033 5.877 6.214 0.634 1 3 "[+ * . - ]" 1
357 2 7 DT H1' 2 7 DT Q2' 2.550 2.040 2.680 2.374 2.302 2.471 . 0 0 "[ . ]" 1
358 2 7 DT H1' 2 7 DT M7 5.120 4.100 6.140 5.008 4.873 5.086 . 0 0 "[ . ]" 1
359 2 7 DT Q2' 2 7 DT M7 3.260 2.930 3.910 3.924 3.792 4.033 0.123 4 0 "[ . ]" 1
360 2 7 DT H1' 2 7 DT H6 3.070 2.460 3.680 3.683 3.514 3.780 0.100 1 0 "[ . ]" 1
361 2 7 DT Q2' 2 7 DT H4' 3.010 2.410 3.490 3.198 2.997 3.392 . 0 0 "[ . ]" 1
362 2 7 DT H1' 2 7 DT H3' 3.250 2.600 3.900 4.043 3.969 4.089 0.189 7 0 "[ . ]" 1
363 2 7 DT Q5' 2 7 DT H6 3.220 2.580 3.860 3.508 3.230 3.629 . 0 0 "[ . ]" 1
364 2 7 DT H1' 2 7 DT H4' 3.120 2.500 3.740 3.392 3.080 3.971 0.231 7 0 "[ . ]" 1
365 2 7 DT H4' 2 7 DT H6 3.580 2.860 4.300 4.722 4.338 4.997 0.697 7 3 "[* -. + ]" 1
366 2 7 DT H6 2 7 DT M7 2.720 2.180 3.260 2.246 2.205 2.340 . 0 0 "[ . ]" 1
367 2 7 DT H1' 2 7 DT Q5' 3.960 3.170 4.750 4.241 3.902 4.450 . 0 0 "[ . ]" 1
368 2 7 DT Q2' 2 7 DT H6 2.400 . 2.830 2.376 2.248 2.540 . 0 0 "[ . ]" 1
369 2 7 DT H3' 2 7 DT H4' 2.500 . 3.000 2.908 2.816 3.001 0.001 8 0 "[ . ]" 1
370 2 7 DT H3' 2 7 DT M7 4.600 3.680 5.520 4.603 4.137 5.144 . 0 0 "[ . ]" 1
371 2 7 DT H3' 2 7 DT H6 2.800 2.240 3.360 3.129 2.767 3.643 0.283 1 0 "[ . ]" 1
372 2 7 DT Q2' 2 7 DT H3' 2.170 . 2.600 2.210 2.074 2.402 . 0 0 "[ . ]" 1
373 2 7 DT H3' 2 8 DT M7 4.670 3.740 5.600 5.227 4.753 5.925 0.325 7 0 "[ . ]" 1
374 2 7 DT H4' 2 8 DT M7 5.250 4.200 6.300 5.089 4.394 5.846 . 0 0 "[ . ]" 1
375 2 7 DT H1' 2 8 DT H6 4.240 3.390 5.090 4.615 4.305 5.250 0.160 8 0 "[ . ]" 1
376 2 7 DT H1' 2 8 DT M7 4.190 3.350 5.030 3.923 3.347 4.359 0.003 7 0 "[ . ]" 1
377 2 7 DT Q2' 2 8 DT H6 3.250 2.820 3.900 3.682 3.477 3.778 . 0 0 "[ . ]" 1
378 2 7 DT H4' 2 8 DT H6 4.270 3.420 5.120 4.627 3.929 5.530 0.410 6 0 "[ . ]" 1
379 2 7 DT H6 2 8 DT M7 4.930 3.940 5.920 6.007 5.650 6.093 0.173 5 0 "[ . ]" 1
380 2 8 DT H1' 2 8 DT M7 5.480 4.380 6.580 4.870 4.655 4.974 . 0 0 "[ . ]" 1
381 2 8 DT H1' 2 8 DT H3' 3.280 2.620 3.940 3.585 3.501 3.833 . 0 0 "[ . ]" 1
382 2 8 DT H1' 2 8 DT Q5' 4.210 3.370 5.050 4.275 4.160 4.372 . 0 0 "[ . ]" 1
383 2 8 DT H1' 2 8 DT H4' 2.890 2.310 3.470 3.256 2.946 3.544 0.074 5 0 "[ . ]" 1
384 2 8 DT H1' 2 8 DT H6 3.020 2.420 3.620 3.301 3.037 3.444 . 0 0 "[ . ]" 1
385 2 8 DT H6 2 8 DT M7 2.920 2.340 3.500 2.340 2.176 2.401 0.164 7 0 "[ . ]" 1
386 2 8 DT Q5' 2 8 DT H6 3.270 2.620 3.920 3.928 3.498 4.335 0.415 1 0 "[ . ]" 1
387 2 8 DT H1' 2 8 DT Q2' 2.610 2.090 2.800 2.325 2.278 2.368 . 0 0 "[ . ]" 1
388 2 8 DT H4' 2 8 DT H6 3.550 2.840 4.260 4.252 4.127 4.408 0.148 7 0 "[ . ]" 1
389 2 8 DT Q2' 2 8 DT H3' 2.420 . 2.740 2.303 2.207 2.345 . 0 0 "[ . ]" 1
390 2 8 DT H3' 2 8 DT H4' 2.390 . 2.870 2.759 2.660 3.007 0.137 5 0 "[ . ]" 1
391 2 8 DT Q2' 2 8 DT H4' 3.060 2.450 3.670 3.303 2.593 3.455 . 0 0 "[ . ]" 1
392 2 8 DT H1' 2 9 DG Q5' 3.620 2.900 4.340 4.828 4.760 4.922 0.582 8 3 "[* . -+]" 1
393 2 8 DT H3' 2 9 DG H8 4.300 3.440 5.160 4.705 4.359 5.497 0.337 5 0 "[ . ]" 1
394 2 8 DT H4' 2 9 DG H8 3.010 2.410 3.610 3.512 3.201 3.757 0.147 2 0 "[ . ]" 1
395 2 8 DT H6 2 9 DG H8 5.280 4.220 6.340 6.243 5.668 6.507 0.167 6 0 "[ . ]" 1
396 2 8 DT H3' 2 12 DC H5 3.770 3.020 4.520 16.635 15.947 18.145 13.625 7 8 [**-***+*] 1
397 2 8 DT Q2' 2 12 DC H5 3.020 2.770 3.620 15.098 13.895 15.886 12.266 8 8 [****-**+] 1
398 2 8 DT M7 2 12 DC H1' 5.570 4.460 6.680 15.294 14.494 15.758 9.078 7 8 [**-***+*] 1
399 2 8 DT H6 2 12 DC H5 4.040 3.230 4.850 15.620 14.747 16.251 11.401 8 8 [****-**+] 1
400 2 9 DG H3' 2 9 DG Q5' 2.150 . 2.580 2.602 2.449 2.651 0.071 3 0 "[ . ]" 1
401 2 9 DG Q5' 2 9 DG H8 3.040 2.430 3.650 3.611 3.502 3.760 0.110 4 0 "[ . ]" 1
402 2 9 DG H2'' 2 9 DG H3' 2.380 . 2.860 2.752 2.741 2.765 . 0 0 "[ . ]" 1
403 2 9 DG H1' 2 9 DG H3' 3.090 2.470 3.710 3.807 3.767 3.839 0.129 5 0 "[ . ]" 1
404 2 9 DG H4' 2 9 DG H8 4.100 3.280 4.920 4.766 4.668 4.892 . 0 0 "[ . ]" 1
405 2 9 DG H1' 2 9 DG H4' 2.810 2.250 3.370 3.361 3.095 3.494 0.124 8 0 "[ . ]" 1
406 2 9 DG H2' 2 9 DG H4' 2.830 2.260 3.400 3.632 3.598 3.753 0.353 5 0 "[ . ]" 1
407 2 9 DG H1' 2 9 DG H2' 2.460 . 2.950 3.140 3.113 3.180 0.230 7 0 "[ . ]" 1
408 2 9 DG H1' 2 9 DG H8 3.350 2.680 4.020 3.885 3.836 3.926 . 0 0 "[ . ]" 1
409 2 9 DG H2' 2 9 DG H8 2.260 . 2.710 2.373 2.311 2.407 . 0 0 "[ . ]" 1
410 2 9 DG H2'' 2 9 DG H8 2.660 2.130 3.190 3.624 3.539 3.716 0.526 2 1 "[ + . ]" 1
411 2 9 DG H2' 2 9 DG Q5' 2.980 2.380 3.580 3.197 3.059 3.265 . 0 0 "[ . ]" 1
412 2 9 DG H1' 2 9 DG H2'' 2.370 . 2.840 2.523 2.508 2.544 . 0 0 "[ . ]" 1
413 2 9 DG H1' 2 10 DG H4' 3.230 2.580 3.880 4.138 3.938 4.390 0.510 4 1 "[ +. ]" 1
414 2 9 DG H8 2 12 DC H5 3.260 2.610 3.910 12.206 11.835 12.748 8.838 7 8 [***-**+*] 1
415 2 9 DG H8 2 12 DC H6 4.490 3.590 5.390 13.734 13.329 14.207 8.817 8 8 [****-**+] 1
416 2 10 DG H2'' 2 10 DG H8 3.220 2.580 3.860 3.922 3.736 4.106 0.246 4 0 "[ . ]" 1
417 2 10 DG H1' 2 10 DG H2'' 2.250 . 2.700 2.434 2.415 2.458 . 0 0 "[ . ]" 1
418 2 10 DG H1' 2 10 DG H2' 2.440 . 2.930 3.066 3.052 3.093 0.163 8 0 "[ . ]" 1
419 2 10 DG H1' 2 10 DG H8 2.170 . 2.600 2.578 2.550 2.602 0.002 8 0 "[ . ]" 1
420 2 10 DG H2' 2 10 DG H4' 3.100 2.480 3.720 3.628 3.592 3.669 . 0 0 "[ . ]" 1
421 2 10 DG H3' 2 10 DG H8 4.450 3.560 5.340 5.928 5.837 6.010 0.670 4 7 "[** +**-*]" 1
422 2 10 DG H2' 2 10 DG H8 3.750 3.000 4.500 4.576 4.482 4.651 0.151 4 0 "[ . ]" 1
423 2 10 DG H2'' 2 10 DG H4' 3.030 2.420 3.640 4.120 4.071 4.173 0.533 3 2 "[ + . - ]" 1
424 2 10 DG H8 2 11 DG Q2' 4.400 3.520 5.090 4.792 4.683 4.943 . 0 0 "[ . ]" 1
425 2 10 DG H8 2 11 DG H4' 3.350 2.680 4.020 3.827 3.677 4.216 0.196 8 0 "[ . ]" 1
426 2 10 DG H2'' 2 11 DG H8 2.330 . 2.800 2.526 2.306 2.693 . 0 0 "[ . ]" 1
427 2 10 DG H2' 2 11 DG H8 2.740 2.190 3.290 3.385 2.989 3.577 0.287 4 0 "[ . ]" 1
428 2 10 DG H8 2 11 DG H8 4.180 3.340 5.020 4.344 4.244 4.513 . 0 0 "[ . ]" 1
429 2 11 DG H4' 2 11 DG H8 3.920 3.140 4.700 4.902 4.710 5.073 0.373 3 0 "[ . ]" 1
430 2 11 DG Q2' 2 11 DG H3' 2.180 . 2.620 2.291 2.198 2.358 . 0 0 "[ . ]" 1
431 2 11 DG H1' 2 11 DG H8 3.020 2.420 3.620 3.858 3.802 3.920 0.300 3 0 "[ . ]" 1
432 2 11 DG Q2' 2 11 DG H4' 3.020 2.510 3.620 3.408 3.334 3.449 . 0 0 "[ . ]" 1
433 2 11 DG Q2' 2 11 DG H8 2.190 . 2.630 2.394 2.140 2.599 . 0 0 "[ . ]" 1
434 2 11 DG H1' 2 11 DG Q2' 2.330 . 2.680 2.296 2.234 2.433 . 0 0 "[ . ]" 1
435 2 11 DG H1' 2 12 DC H6 2.750 2.200 3.300 3.352 3.026 3.618 0.318 5 0 "[ . ]" 1
436 2 11 DG Q2' 2 12 DC H6 2.870 2.300 3.140 2.517 2.410 2.749 . 0 0 "[ . ]" 1
437 2 11 DG Q2' 2 12 DC H5 3.070 2.460 3.480 3.440 3.384 3.511 0.031 8 0 "[ . ]" 1
438 2 11 DG H8 2 12 DC H6 3.990 3.190 4.790 4.943 4.582 5.138 0.348 4 0 "[ . ]" 1
439 2 11 DG H3' 2 12 DC H6 3.620 2.900 4.340 5.024 4.869 5.351 1.011 3 8 [**+*-***] 1
440 2 11 DG H8 2 12 DC H5 3.590 2.870 4.310 4.111 3.727 4.411 0.101 4 0 "[ . ]" 1
441 2 12 DC H2' 2 12 DC H6 2.230 . 2.680 2.490 2.417 2.532 . 0 0 "[ . ]" 1
442 2 12 DC H2'' 2 12 DC H3' 2.510 2.010 3.010 3.029 2.992 3.065 0.055 4 0 "[ . ]" 1
443 2 12 DC H1' 2 12 DC H6 3.420 2.740 4.100 3.805 3.726 3.837 . 0 0 "[ . ]" 1
444 2 12 DC H2' 2 12 DC H5 3.510 2.810 4.210 4.556 4.402 4.607 0.397 1 0 "[ . ]" 1
445 2 12 DC H1' 2 12 DC Q5' 3.630 2.900 4.360 4.065 4.014 4.214 . 0 0 "[ . ]" 1
446 2 12 DC H1' 2 12 DC H4' 2.750 2.200 3.300 3.129 2.916 3.298 . 0 0 "[ . ]" 1
447 2 12 DC H1' 2 12 DC H2'' 2.300 . 2.760 2.499 2.482 2.520 . 0 0 "[ . ]" 1
448 2 12 DC H1' 2 12 DC H2' 2.640 2.110 3.170 2.964 2.928 3.039 . 0 0 "[ . ]" 1
449 2 12 DC H3' 2 12 DC H4' 2.320 . 2.780 2.944 2.909 2.960 0.180 6 0 "[ . ]" 1
450 2 12 DC H3' 2 12 DC H6 3.160 2.530 3.790 2.981 2.825 3.372 . 0 0 "[ . ]" 1
451 2 12 DC H2'' 2 12 DC H4' 2.490 . 2.990 2.804 2.598 3.327 0.337 3 0 "[ . ]" 1
452 2 12 DC Q5' 2 12 DC H6 3.180 2.540 3.820 4.062 3.866 4.282 0.462 4 0 "[ . ]" 1
453 2 12 DC H1' 2 12 DC H3' 3.490 2.790 4.190 3.929 3.813 4.055 . 0 0 "[ . ]" 1
454 2 3 DG H1 2 9 DG H1 3.000 2.400 3.600 3.647 3.614 3.688 0.088 2 0 "[ . ]" 1
455 2 1 DG H1 2 11 DG H1 3.000 2.400 3.600 3.584 3.509 3.647 0.047 5 0 "[ . ]" 1
456 2 2 DG H1 2 11 DG H1 4.000 3.200 4.800 4.329 4.301 4.376 . 0 0 "[ . ]" 1
457 2 2 DG H1 2 3 DG H1 4.000 3.200 4.800 5.839 5.337 6.227 1.427 5 8 [****+**-] 1
458 2 9 DG H1 2 10 DG H8 4.000 3.200 4.800 4.777 4.667 4.905 0.105 8 0 "[ . ]" 1
459 2 5 DT H1' 2 9 DG H1 5.000 4.000 6.000 5.856 5.311 6.058 0.058 3 0 "[ . ]" 1
460 2 4 DC H5 2 9 DG H1 5.000 4.000 6.000 5.220 5.121 5.297 . 0 0 "[ . ]" 1
461 2 1 DG H1 2 2 DG H8 4.000 3.200 4.800 4.676 4.450 4.821 0.021 3 0 "[ . ]" 1
462 2 1 DG H1 2 8 DT H6 4.000 3.200 4.800 15.187 14.390 16.285 11.485 7 8 [**-***+*] 1
463 2 1 DG H1 2 12 DC H1' 5.000 4.000 6.000 4.782 4.676 4.889 . 0 0 "[ . ]" 1
464 2 1 DG H1 2 12 DC H5 5.000 4.000 6.000 5.107 5.031 5.176 . 0 0 "[ . ]" 1
465 2 1 DG H1 2 8 DT M7 4.000 3.200 4.800 13.035 12.457 13.873 9.073 7 8 [**-***+*] 1
466 2 11 DG H1 2 12 DC Q4 4.000 3.200 4.800 3.116 3.000 3.342 0.200 4 0 "[ . ]" 1
467 2 2 DG H8 2 11 DG H1 5.000 4.000 6.000 5.135 4.882 5.338 . 0 0 "[ . ]" 1
468 2 3 DG H1 2 10 DG H8 5.000 4.000 6.000 4.989 4.834 5.264 . 0 0 "[ . ]" 1
469 2 3 DG H1 2 4 DC Q4 4.000 3.200 4.800 3.396 3.218 3.666 . 0 0 "[ . ]" 1
470 2 10 DG H1 2 11 DG H8 5.000 4.000 6.000 6.356 5.933 7.432 1.432 8 2 "[ . -+]" 1
471 2 9 DG H8 2 10 DG H1 4.000 3.200 4.800 4.673 4.486 4.863 0.063 2 0 "[ . ]" 1
472 2 2 DG H1 2 3 DG H8 5.000 4.000 6.000 5.961 5.631 6.218 0.218 3 0 "[ . ]" 1
473 2 1 DG H8 2 2 DG H1 5.000 4.000 6.000 4.584 4.396 4.776 . 0 0 "[ . ]" 1
474 2 9 DG H1' 2 10 DG H1 5.000 4.000 6.000 5.787 5.503 6.024 0.024 5 0 "[ . ]" 1
475 2 1 DG H3' 2 2 DG H1 5.000 4.000 6.000 6.248 6.183 6.318 0.318 4 0 "[ . ]" 1
476 2 9 DG H2'' 2 10 DG H1 5.000 4.000 6.000 5.628 5.382 5.956 . 0 0 "[ . ]" 1
477 2 1 DG H2'' 2 2 DG H1 5.000 4.000 6.000 5.026 4.713 5.372 . 0 0 "[ . ]" 1
478 2 9 DG H8 2 12 DC Q4 5.000 4.000 6.000 10.213 9.829 10.873 4.873 7 8 [***-**+*] 1
479 2 1 DG H8 2 4 DC Q4 5.000 4.000 6.000 10.312 9.917 10.497 4.497 3 8 [**+****-] 1
480 2 8 DT H1' 2 12 DC Q4 5.000 4.000 6.000 11.982 11.449 12.569 6.569 8 8 [****-**+] 1
481 2 8 DT M7 2 12 DC Q4 5.000 4.000 6.000 11.290 11.000 11.867 5.867 7 8 [**-***+*] 1
482 2 4 DC Q4 2 4 DC H6 5.000 4.000 6.000 4.527 4.477 4.565 . 0 0 "[ . ]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 72
_Distance_constraint_stats_list.Viol_count 352
_Distance_constraint_stats_list.Viol_total 89.301
_Distance_constraint_stats_list.Viol_max 0.140
_Distance_constraint_stats_list.Viol_rms 0.0264
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0194
_Distance_constraint_stats_list.Viol_average_violations_only 0.0317
_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 DG 2.593 0.139 5 0 "[ . ]"
1 2 DG 1.092 0.095 5 0 "[ . ]"
1 3 DG 0.940 0.095 5 0 "[ . ]"
1 4 DC 1.693 0.140 5 0 "[ . ]"
1 9 DG 1.364 0.101 6 0 "[ . ]"
1 10 DG 0.532 0.039 8 0 "[ . ]"
1 11 DG 0.687 0.045 8 0 "[ . ]"
1 12 DC 2.253 0.103 6 0 "[ . ]"
2 1 DG 2.602 0.140 5 0 "[ . ]"
2 2 DG 1.089 0.095 5 0 "[ . ]"
2 3 DG 0.938 0.095 5 0 "[ . ]"
2 4 DC 1.698 0.139 5 0 "[ . ]"
2 9 DG 1.358 0.103 6 0 "[ . ]"
2 10 DG 0.532 0.040 8 0 "[ . ]"
2 11 DG 0.681 0.045 1 0 "[ . ]"
2 12 DC 2.273 0.101 6 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 DG H21 1 12 DC O2 1.950 . 2.050 1.822 1.806 1.840 0.044 5 0 "[ . ]" 2
2 1 1 DG N2 1 12 DC O2 2.950 2.850 3.050 2.819 2.799 2.832 0.051 5 0 "[ . ]" 2
3 1 1 DG H1 1 12 DC N3 1.990 . 2.090 1.883 1.862 1.912 0.028 5 0 "[ . ]" 2
4 1 1 DG N1 1 12 DC N3 2.900 2.800 3.000 2.886 2.863 2.920 . 0 0 "[ . ]" 2
5 1 1 DG O6 1 12 DC Q4 1.950 . 2.050 1.807 1.796 1.815 0.054 7 0 "[ . ]" 2
6 1 1 DG O6 1 12 DC N4 2.950 2.850 3.050 2.811 2.793 2.819 0.057 8 0 "[ . ]" 2
7 1 12 DC Q4 2 9 DG N7 1.990 . 2.090 2.084 2.071 2.093 0.003 8 0 "[ . ]" 2
8 1 12 DC N4 2 9 DG N7 2.900 2.800 3.000 3.032 3.020 3.041 0.041 3 0 "[ . ]" 2
9 1 12 DC Q4 2 9 DG O6 1.950 . 2.050 2.070 2.055 2.077 0.027 7 0 "[ . ]" 2
10 1 12 DC N4 2 9 DG O6 2.950 2.850 3.050 2.774 2.747 2.798 0.103 6 0 "[ . ]" 2
11 2 4 DC O2 2 9 DG H21 1.950 . 2.050 1.875 1.845 1.935 0.005 7 0 "[ . ]" 2
12 2 4 DC O2 2 9 DG N2 2.950 2.850 3.050 2.851 2.815 2.921 0.035 1 0 "[ . ]" 2
13 2 4 DC N3 2 9 DG H1 1.990 . 2.090 1.910 1.881 1.948 0.009 1 0 "[ . ]" 2
14 2 4 DC N3 2 9 DG N1 2.900 2.800 3.000 2.908 2.871 2.937 . 0 0 "[ . ]" 2
15 2 4 DC Q4 2 9 DG O6 1.950 . 2.050 1.831 1.819 1.836 0.031 6 0 "[ . ]" 2
16 2 4 DC N4 2 9 DG O6 2.950 2.850 3.050 2.844 2.830 2.853 0.020 6 0 "[ . ]" 2
17 1 1 DG N7 2 4 DC Q4 1.990 . 2.090 2.081 2.066 2.089 . 0 0 "[ . ]" 2
18 1 1 DG N7 2 4 DC N4 2.900 2.800 3.000 3.050 3.029 3.064 0.064 7 0 "[ . ]" 2
19 1 1 DG O6 2 4 DC Q4 1.950 . 2.050 2.053 2.043 2.067 0.017 4 0 "[ . ]" 2
20 1 1 DG O6 2 4 DC N4 2.950 2.850 3.050 2.734 2.711 2.761 0.139 5 0 "[ . ]" 2
21 1 3 DG H21 1 10 DG N7 1.990 . 2.090 1.898 1.851 1.956 0.039 8 0 "[ . ]" 2
22 1 3 DG N2 1 10 DG N7 2.900 2.800 3.000 2.896 2.852 2.956 . 0 0 "[ . ]" 2
23 1 3 DG H1 1 10 DG O6 1.950 . 2.050 1.854 1.826 1.889 0.024 4 0 "[ . ]" 2
24 1 3 DG N1 1 10 DG O6 2.950 2.850 3.050 2.830 2.816 2.847 0.034 5 0 "[ . ]" 2
25 1 10 DG H21 2 11 DG N7 1.990 . 2.090 1.870 1.853 1.883 0.037 5 0 "[ . ]" 2
26 1 10 DG N2 2 11 DG N7 2.900 2.800 3.000 2.867 2.842 2.886 . 0 0 "[ . ]" 2
27 1 10 DG H1 2 11 DG O6 1.950 . 2.050 1.960 1.893 2.004 . 0 0 "[ . ]" 2
28 1 10 DG N1 2 11 DG O6 2.950 2.850 3.050 2.847 2.823 2.900 0.027 6 0 "[ . ]" 2
29 2 2 DG N7 2 11 DG H21 1.990 . 2.090 1.868 1.845 1.877 0.045 1 0 "[ . ]" 2
30 2 2 DG N7 2 11 DG N2 2.900 2.800 3.000 2.851 2.810 2.870 . 0 0 "[ . ]" 2
31 2 2 DG O6 2 11 DG H1 1.950 . 2.050 1.840 1.827 1.848 0.023 4 0 "[ . ]" 2
32 2 2 DG O6 2 11 DG N1 2.950 2.850 3.050 2.828 2.808 2.848 0.042 8 0 "[ . ]" 2
33 1 3 DG N7 2 2 DG H21 1.990 . 2.090 1.823 1.795 1.845 0.095 5 0 "[ . ]" 2
34 1 3 DG N7 2 2 DG N2 2.900 2.800 3.000 2.813 2.767 2.850 0.033 5 0 "[ . ]" 2
35 1 3 DG O6 2 2 DG H1 1.950 . 2.050 2.034 1.919 2.077 0.027 2 0 "[ . ]" 2
36 1 3 DG O6 2 2 DG N1 2.950 2.850 3.050 2.901 2.842 2.938 0.008 8 0 "[ . ]" 2
37 2 1 DG H21 2 12 DC O2 1.950 . 2.050 1.821 1.804 1.839 0.046 5 0 "[ . ]" 2
38 2 1 DG N2 2 12 DC O2 2.950 2.850 3.050 2.817 2.798 2.830 0.052 5 0 "[ . ]" 2
39 2 1 DG H1 2 12 DC N3 1.990 . 2.090 1.884 1.863 1.913 0.027 5 0 "[ . ]" 2
40 2 1 DG N1 2 12 DC N3 2.900 2.800 3.000 2.886 2.865 2.919 . 0 0 "[ . ]" 2
41 2 1 DG O6 2 12 DC Q4 1.950 . 2.050 1.807 1.797 1.818 0.053 7 0 "[ . ]" 2
42 2 1 DG O6 2 12 DC N4 2.950 2.850 3.050 2.810 2.790 2.816 0.060 8 0 "[ . ]" 2
43 1 9 DG N7 2 12 DC Q4 1.990 . 2.090 2.084 2.070 2.094 0.004 8 0 "[ . ]" 2
44 1 9 DG N7 2 12 DC N4 2.900 2.800 3.000 3.031 3.020 3.040 0.040 3 0 "[ . ]" 2
45 1 9 DG O6 2 12 DC Q4 1.950 . 2.050 2.070 2.057 2.079 0.029 4 0 "[ . ]" 2
46 1 9 DG O6 2 12 DC N4 2.950 2.850 3.050 2.773 2.749 2.794 0.101 6 0 "[ . ]" 2
47 1 4 DC O2 1 9 DG H21 1.950 . 2.050 1.874 1.845 1.936 0.005 8 0 "[ . ]" 2
48 1 4 DC O2 1 9 DG N2 2.950 2.850 3.050 2.852 2.815 2.921 0.035 1 0 "[ . ]" 2
49 1 4 DC N3 1 9 DG H1 1.990 . 2.090 1.910 1.881 1.948 0.009 1 0 "[ . ]" 2
50 1 4 DC N3 1 9 DG N1 2.900 2.800 3.000 2.907 2.872 2.936 . 0 0 "[ . ]" 2
51 1 4 DC Q4 1 9 DG O6 1.950 . 2.050 1.831 1.820 1.836 0.030 6 0 "[ . ]" 2
52 1 4 DC N4 1 9 DG O6 2.950 2.850 3.050 2.844 2.833 2.851 0.017 6 0 "[ . ]" 2
53 1 4 DC Q4 2 1 DG N7 1.990 . 2.090 2.080 2.068 2.089 . 0 0 "[ . ]" 2
54 1 4 DC N4 2 1 DG N7 2.900 2.800 3.000 3.050 3.030 3.062 0.062 7 0 "[ . ]" 2
55 1 4 DC Q4 2 1 DG O6 1.950 . 2.050 2.052 2.043 2.066 0.016 4 0 "[ . ]" 2
56 1 4 DC N4 2 1 DG O6 2.950 2.850 3.050 2.733 2.710 2.763 0.140 5 0 "[ . ]" 2
57 2 3 DG H21 2 10 DG N7 1.990 . 2.090 1.898 1.850 1.957 0.040 8 0 "[ . ]" 2
58 2 3 DG N2 2 10 DG N7 2.900 2.800 3.000 2.896 2.853 2.955 . 0 0 "[ . ]" 2
59 2 3 DG H1 2 10 DG O6 1.950 . 2.050 1.854 1.825 1.889 0.025 4 0 "[ . ]" 2
60 2 3 DG N1 2 10 DG O6 2.950 2.850 3.050 2.830 2.816 2.846 0.034 5 0 "[ . ]" 2
61 1 11 DG N7 2 10 DG H21 1.990 . 2.090 1.870 1.855 1.884 0.035 5 0 "[ . ]" 2
62 1 11 DG N7 2 10 DG N2 2.900 2.800 3.000 2.868 2.842 2.885 . 0 0 "[ . ]" 2
63 1 11 DG O6 2 10 DG H1 1.950 . 2.050 1.961 1.897 2.003 . 0 0 "[ . ]" 2
64 1 11 DG O6 2 10 DG N1 2.950 2.850 3.050 2.848 2.826 2.900 0.024 6 0 "[ . ]" 2
65 1 2 DG N7 1 11 DG H21 1.990 . 2.090 1.867 1.846 1.877 0.044 1 0 "[ . ]" 2
66 1 2 DG N7 1 11 DG N2 2.900 2.800 3.000 2.851 2.811 2.868 . 0 0 "[ . ]" 2
67 1 2 DG O6 1 11 DG H1 1.950 . 2.050 1.840 1.829 1.847 0.021 4 0 "[ . ]" 2
68 1 2 DG O6 1 11 DG N1 2.950 2.850 3.050 2.828 2.805 2.847 0.045 8 0 "[ . ]" 2
69 1 2 DG H21 2 3 DG N7 1.990 . 2.090 1.824 1.795 1.843 0.095 5 0 "[ . ]" 2
70 1 2 DG N2 2 3 DG N7 2.900 2.800 3.000 2.814 2.766 2.849 0.034 5 0 "[ . ]" 2
71 1 2 DG H1 2 3 DG O6 1.950 . 2.050 2.035 1.924 2.077 0.027 2 0 "[ . ]" 2
72 1 2 DG N1 2 3 DG O6 2.950 2.850 3.050 2.901 2.843 2.936 0.007 8 0 "[ . ]" 2
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