NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
481572 |
1etf   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1etf
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 14
_Distance_constraint_stats_list.Viol_count 7
_Distance_constraint_stats_list.Viol_total 83.459
_Distance_constraint_stats_list.Viol_max 14.970
_Distance_constraint_stats_list.Viol_rms 6.5641
_Distance_constraint_stats_list.Viol_average_all_restraints 5.9613
_Distance_constraint_stats_list.Viol_average_violations_only 11.9226
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 G 11.515 11.515 1 1 [+]
1 2 G 0.000 0.000 . 0 "[ ]"
1 3 U 14.244 14.244 1 1 [+]
1 4 C 11.019 11.019 1 1 [+]
1 5 U 7.811 7.811 1 1 [+]
1 6 G 9.835 9.835 1 1 [+]
1 7 G 14.970 14.970 1 1 [+]
1 8 G 14.064 14.064 1 1 [+]
1 10 G 0.000 0.000 . 0 "[ ]"
1 11 C 0.000 0.000 . 0 "[ ]"
1 13 G 0.000 0.000 . 0 "[ ]"
1 14 C 0.000 0.000 . 0 "[ ]"
1 28 A 29.034 14.970 1 1 [+]
1 29 C 9.835 9.835 1 1 [+]
1 31 G 33.074 14.244 1 1 [+]
1 34 C 11.515 11.515 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 G H1 1 2 G H1 . . 5.000 4.205 4.205 4.205 . 0 0 "[ ]" 1
2 1 2 G H1 1 3 U H3 . . 5.000 3.897 3.897 3.897 . 0 0 "[ ]" 1
3 1 3 U H3 1 31 G H1 . . 5.000 19.244 19.244 19.244 14.244 1 1 [+] 1
4 1 5 U H3 1 31 G H1 . . 5.000 12.811 12.811 12.811 7.811 1 1 [+] 1
5 1 5 U H3 1 6 G H1 . . 5.000 4.279 4.279 4.279 . 0 0 "[ ]" 1
6 1 8 G H1 1 28 A H2 . . 5.000 19.064 19.064 19.064 14.064 1 1 [+] 1
7 1 7 G H1 1 28 A H2 . . 3.000 17.970 17.970 17.970 14.970 1 1 [+] 1
8 1 1 G H1 1 34 C Q4 . . 3.000 14.515 14.515 14.515 11.515 1 1 [+] 1
9 1 4 C Q4 1 31 G H1 . . 3.000 14.019 14.019 14.019 11.019 1 1 [+] 1
10 1 6 G H1 1 29 C Q4 . . 3.000 12.835 12.835 12.835 9.835 1 1 [+] 1
11 1 3 U H3 1 4 C Q4 . . 4.000 3.259 3.259 3.259 . 0 0 "[ ]" 1
12 1 10 G H1 1 11 C H42 . . 5.000 4.982 4.982 4.982 . 0 0 "[ ]" 1
13 1 13 G H1 1 14 C H42 . . 5.000 4.333 4.333 4.333 . 0 0 "[ ]" 1
14 1 3 U H3 1 4 C H5 . . 5.000 3.801 3.801 3.801 . 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 249
_Distance_constraint_stats_list.Viol_count 45
_Distance_constraint_stats_list.Viol_total 68.452
_Distance_constraint_stats_list.Viol_max 11.429
_Distance_constraint_stats_list.Viol_rms 1.3292
_Distance_constraint_stats_list.Viol_average_all_restraints 0.2749
_Distance_constraint_stats_list.Viol_average_violations_only 1.5212
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 G 0.000 0.000 1 0 "[ ]"
1 2 G 0.003 0.003 1 0 "[ ]"
1 3 U 0.038 0.025 1 0 "[ ]"
1 4 C 0.036 0.025 1 0 "[ ]"
1 5 U 0.009 0.008 1 0 "[ ]"
1 6 G 0.062 0.047 1 0 "[ ]"
1 7 G 0.037 0.030 1 0 "[ ]"
1 8 G 0.073 0.043 1 0 "[ ]"
1 9 C 0.012 0.009 1 0 "[ ]"
1 10 G 0.003 0.003 1 0 "[ ]"
1 11 C 0.000 0.000 . 0 "[ ]"
1 12 A 0.006 0.005 1 0 "[ ]"
1 13 G 0.039 0.038 1 0 "[ ]"
1 14 C 0.057 0.038 1 0 "[ ]"
1 15 G 0.019 0.019 1 0 "[ ]"
1 16 C 0.071 0.058 1 0 "[ ]"
1 17 A 0.092 0.023 1 0 "[ ]"
1 18 A 0.040 0.020 1 0 "[ ]"
1 24 C 0.000 0.000 . 0 "[ ]"
1 25 G 3.533 2.372 1 1 [+]
1 26 G 15.507 8.841 1 1 [+]
1 27 U 6.057 3.133 1 1 [+]
1 28 A 60.479 11.429 1 1 [+]
1 29 C 48.710 11.429 1 1 [+]
1 30 A 0.127 0.097 1 0 "[ ]"
1 31 G 0.748 0.593 1 1 [+]
1 32 G 0.054 0.054 1 0 "[ ]"
1 33 C 0.013 0.013 1 0 "[ ]"
1 34 C 0.068 0.056 1 0 "[ ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 G H1' 1 1 G H8 . . 4.000 3.833 3.833 3.833 . 0 0 "[ ]" 2
2 1 1 G H2' 1 1 G H8 . . 4.000 3.616 3.616 3.616 . 0 0 "[ ]" 2
3 1 1 G H3' 1 1 G H8 . . 4.000 2.993 2.993 2.993 . 0 0 "[ ]" 2
4 1 1 G H4' 1 1 G H8 . . 5.000 4.560 4.560 4.560 . 0 0 "[ ]" 2
5 1 1 G Q5' 1 1 G H8 . . 6.000 3.186 3.186 3.186 . 0 0 "[ ]" 2
6 1 1 G H1' 1 1 G H2' . . 3.000 2.840 2.840 2.840 . 0 0 "[ ]" 2
7 1 1 G H1' 1 1 G H3' . . 4.000 3.820 3.820 3.820 . 0 0 "[ ]" 2
8 1 1 G H1' 1 1 G H4' . . 4.000 2.961 2.961 2.961 . 0 0 "[ ]" 2
9 1 2 G H1' 1 2 G H8 . . 4.000 3.831 3.831 3.831 . 0 0 "[ ]" 2
10 1 2 G Q5' 1 2 G H8 . . 6.000 3.886 3.886 3.886 . 0 0 "[ ]" 2
11 1 2 G H1' 1 2 G H2' . . 3.000 2.815 2.815 2.815 . 0 0 "[ ]" 2
12 1 2 G H1' 1 2 G H3' . . 4.000 3.823 3.823 3.823 . 0 0 "[ ]" 2
13 1 2 G H1' 1 2 G H4' . . 4.000 3.072 3.072 3.072 . 0 0 "[ ]" 2
14 1 3 U H1' 1 3 U H6 . . 4.000 3.708 3.708 3.708 . 0 0 "[ ]" 2
15 1 3 U H5 1 3 U H6 . . 3.000 2.370 2.370 2.370 . 0 0 "[ ]" 2
16 1 3 U H1' 1 3 U H2' . . 3.000 2.829 2.829 2.829 . 0 0 "[ ]" 2
17 1 3 U H1' 1 3 U H3' . . 4.000 3.813 3.813 3.813 . 0 0 "[ ]" 2
18 1 4 C H1' 1 4 C H6 . . 4.000 3.682 3.682 3.682 . 0 0 "[ ]" 2
19 1 4 C H2' 1 4 C H6 . . 5.000 3.709 3.709 3.709 . 0 0 "[ ]" 2
20 1 4 C H3' 1 4 C H6 . . 4.000 2.795 2.795 2.795 . 0 0 "[ ]" 2
21 1 4 C Q5' 1 4 C H6 . . 6.000 3.604 3.604 3.604 . 0 0 "[ ]" 2
22 1 4 C H5 1 4 C H6 . . 3.000 2.365 2.365 2.365 . 0 0 "[ ]" 2
23 1 4 C H1' 1 4 C H2' . . 3.000 2.822 2.822 2.822 . 0 0 "[ ]" 2
24 1 4 C H1' 1 4 C H3' . . 4.000 3.808 3.808 3.808 . 0 0 "[ ]" 2
25 1 4 C H1' 1 4 C H4' . . 4.000 3.115 3.115 3.115 . 0 0 "[ ]" 2
26 1 5 U H1' 1 5 U H6 . . 4.000 3.705 3.705 3.705 . 0 0 "[ ]" 2
27 1 5 U H5 1 5 U H6 . . 3.000 2.375 2.375 2.375 . 0 0 "[ ]" 2
28 1 5 U H1' 1 5 U H2' . . 3.000 2.850 2.850 2.850 . 0 0 "[ ]" 2
29 1 5 U H1' 1 5 U H3' . . 5.000 3.817 3.817 3.817 . 0 0 "[ ]" 2
30 1 5 U H1' 1 5 U H4' . . 4.000 2.962 2.962 2.962 . 0 0 "[ ]" 2
31 1 6 G H1' 1 6 G H8 . . 4.000 3.905 3.905 3.905 . 0 0 "[ ]" 2
32 1 6 G H2' 1 6 G H8 . . 3.000 2.679 2.679 2.679 . 0 0 "[ ]" 2
33 1 6 G H3' 1 6 G H8 . . 5.000 4.634 4.634 4.634 . 0 0 "[ ]" 2
34 1 6 G H1' 1 6 G H2' . . 3.000 3.047 3.047 3.047 0.047 1 0 "[ ]" 2
35 1 6 G H1' 1 6 G H4' . . 4.000 3.142 3.142 3.142 . 0 0 "[ ]" 2
36 1 7 G H1' 1 7 G H8 . . 4.000 3.889 3.889 3.889 . 0 0 "[ ]" 2
37 1 7 G H2' 1 7 G H8 . . 4.000 3.281 3.281 3.281 . 0 0 "[ ]" 2
38 1 7 G H3' 1 7 G H8 . . 4.000 2.700 2.700 2.700 . 0 0 "[ ]" 2
39 1 7 G H1' 1 7 G H2' . . 3.000 2.850 2.850 2.850 . 0 0 "[ ]" 2
40 1 7 G H1' 1 7 G H3' . . 4.000 3.802 3.802 3.802 . 0 0 "[ ]" 2
41 1 7 G H2' 1 7 G H3' . . 3.000 2.298 2.298 2.298 . 0 0 "[ ]" 2
42 1 7 G H3' 1 7 G H4' . . 4.000 3.072 3.072 3.072 . 0 0 "[ ]" 2
43 1 8 G H2' 1 8 G H8 . . 3.000 2.534 2.534 2.534 . 0 0 "[ ]" 2
44 1 8 G H1' 1 8 G H8 . . 5.000 3.904 3.904 3.904 . 0 0 "[ ]" 2
45 1 8 G H1' 1 8 G H2' . . 3.000 3.043 3.043 3.043 0.043 1 0 "[ ]" 2
46 1 8 G H1' 1 8 G H3' . . 5.000 3.764 3.764 3.764 . 0 0 "[ ]" 2
47 1 8 G H1' 1 8 G H4' . . 4.000 3.088 3.088 3.088 . 0 0 "[ ]" 2
48 1 8 G H2' 1 8 G H3' . . 3.000 2.328 2.328 2.328 . 0 0 "[ ]" 2
49 1 9 C H1' 1 9 C H6 . . 4.000 3.666 3.666 3.666 . 0 0 "[ ]" 2
50 1 9 C H3' 1 9 C H6 . . 4.000 3.052 3.052 3.052 . 0 0 "[ ]" 2
51 1 9 C H5 1 9 C H6 . . 3.000 2.369 2.369 2.369 . 0 0 "[ ]" 2
52 1 9 C H3' 1 9 C H5 . . 5.000 5.009 5.009 5.009 0.009 1 0 "[ ]" 2
53 1 9 C H1' 1 9 C H2' . . 3.000 2.867 2.867 2.867 . 0 0 "[ ]" 2
54 1 9 C H1' 1 9 C H3' . . 4.000 3.818 3.818 3.818 . 0 0 "[ ]" 2
55 1 9 C H1' 1 9 C H4' . . 4.000 2.906 2.906 2.906 . 0 0 "[ ]" 2
56 1 10 G H1' 1 10 G H8 . . 5.000 3.856 3.856 3.856 . 0 0 "[ ]" 2
57 1 10 G H3' 1 10 G H8 . . 4.000 2.796 2.796 2.796 . 0 0 "[ ]" 2
58 1 10 G Q5' 1 10 G H8 . . 6.000 3.941 3.941 3.941 . 0 0 "[ ]" 2
59 1 10 G H1' 1 10 G H2' . . 3.000 2.817 2.817 2.817 . 0 0 "[ ]" 2
60 1 11 C H1' 1 11 C H6 . . 5.000 3.655 3.655 3.655 . 0 0 "[ ]" 2
61 1 11 C H3' 1 11 C H6 . . 4.000 3.099 3.099 3.099 . 0 0 "[ ]" 2
62 1 11 C Q5' 1 11 C H6 . . 6.000 3.834 3.834 3.834 . 0 0 "[ ]" 2
63 1 11 C H5 1 11 C H6 . . 3.000 2.369 2.369 2.369 . 0 0 "[ ]" 2
64 1 11 C H1' 1 11 C H2' . . 3.000 2.849 2.849 2.849 . 0 0 "[ ]" 2
65 1 11 C H1' 1 11 C Q5' . . 6.000 4.252 4.252 4.252 . 0 0 "[ ]" 2
66 1 12 A H1' 1 12 A H8 . . 4.000 3.800 3.800 3.800 . 0 0 "[ ]" 2
67 1 12 A H2' 1 12 A H8 . . 5.000 3.811 3.811 3.811 . 0 0 "[ ]" 2
68 1 12 A H3' 1 12 A H8 . . 3.000 3.005 3.005 3.005 0.005 1 0 "[ ]" 2
69 1 12 A H1' 1 12 A H2' . . 3.000 2.798 2.798 2.798 . 0 0 "[ ]" 2
70 1 13 G H1' 1 13 G H8 . . 5.000 3.852 3.852 3.852 . 0 0 "[ ]" 2
71 1 13 G H3' 1 13 G H8 . . 3.000 2.707 2.707 2.707 . 0 0 "[ ]" 2
72 1 13 G H4' 1 13 G H8 . . 5.000 4.440 4.440 4.440 . 0 0 "[ ]" 2
73 1 13 G Q5' 1 13 G H8 . . 6.000 3.856 3.856 3.856 . 0 0 "[ ]" 2
74 1 13 G H1' 1 13 G H2' . . 3.000 2.811 2.811 2.811 . 0 0 "[ ]" 2
75 1 13 G H1' 1 13 G H4' . . 5.000 3.086 3.086 3.086 . 0 0 "[ ]" 2
76 1 14 C H1' 1 14 C H6 . . 5.000 3.671 3.671 3.671 . 0 0 "[ ]" 2
77 1 14 C H2' 1 14 C H6 . . 5.000 3.745 3.745 3.745 . 0 0 "[ ]" 2
78 1 14 C H3' 1 14 C H6 . . 3.000 2.960 2.960 2.960 . 0 0 "[ ]" 2
79 1 14 C Q5' 1 14 C H6 . . 6.000 3.697 3.697 3.697 . 0 0 "[ ]" 2
80 1 14 C H5 1 14 C H6 . . 3.000 2.362 2.362 2.362 . 0 0 "[ ]" 2
81 1 14 C H1' 1 14 C H2' . . 3.000 2.837 2.837 2.837 . 0 0 "[ ]" 2
82 1 14 C H1' 1 14 C H3' . . 4.000 3.815 3.815 3.815 . 0 0 "[ ]" 2
83 1 14 C H2' 1 14 C H3' . . 3.000 2.309 2.309 2.309 . 0 0 "[ ]" 2
84 1 15 G H1' 1 15 G H8 . . 4.000 3.800 3.800 3.800 . 0 0 "[ ]" 2
85 1 15 G H2' 1 15 G H8 . . 4.000 3.907 3.907 3.907 . 0 0 "[ ]" 2
86 1 15 G H3' 1 15 G H8 . . 3.000 2.693 2.693 2.693 . 0 0 "[ ]" 2
87 1 15 G H1' 1 15 G H2' . . 3.000 2.758 2.758 2.758 . 0 0 "[ ]" 2
88 1 16 C H1' 1 16 C H6 . . 4.000 3.654 3.654 3.654 . 0 0 "[ ]" 2
89 1 16 C H2' 1 16 C H6 . . 4.000 3.238 3.238 3.238 . 0 0 "[ ]" 2
90 1 16 C H3' 1 16 C H6 . . 5.000 4.855 4.855 4.855 . 0 0 "[ ]" 2
91 1 16 C H4' 1 16 C H6 . . 5.000 4.514 4.514 4.514 . 0 0 "[ ]" 2
92 1 16 C H5 1 16 C H6 . . 3.000 2.372 2.372 2.372 . 0 0 "[ ]" 2
93 1 16 C H1' 1 16 C H2' . . 3.000 3.058 3.058 3.058 0.058 1 0 "[ ]" 2
94 1 16 C H1' 1 16 C H4' . . 4.000 2.913 2.913 2.913 . 0 0 "[ ]" 2
95 1 16 C H2' 1 16 C H4' . . 4.000 3.813 3.813 3.813 . 0 0 "[ ]" 2
96 1 16 C H2' 1 16 C H3' . . 3.000 2.308 2.308 2.308 . 0 0 "[ ]" 2
97 1 17 A H1' 1 17 A H8 . . 4.000 3.767 3.767 3.767 . 0 0 "[ ]" 2
98 1 17 A H2' 1 17 A H8 . . 4.000 4.023 4.023 4.023 0.023 1 0 "[ ]" 2
99 1 17 A H4' 1 17 A H8 . . 5.000 4.099 4.099 4.099 . 0 0 "[ ]" 2
100 1 17 A H1' 1 17 A H2' . . 3.000 2.720 2.720 2.720 . 0 0 "[ ]" 2
101 1 17 A H2' 1 17 A H3' . . 3.000 2.317 2.317 2.317 . 0 0 "[ ]" 2
102 1 17 A H3' 1 17 A H4' . . 3.000 3.016 3.016 3.016 0.016 1 0 "[ ]" 2
103 1 17 A H1' 1 17 A H3' . . 4.000 3.851 3.851 3.851 . 0 0 "[ ]" 2
104 1 17 A H1' 1 17 A H4' . . 4.000 3.578 3.578 3.578 . 0 0 "[ ]" 2
105 1 18 A H1' 1 18 A H8 . . 4.000 3.799 3.799 3.799 . 0 0 "[ ]" 2
106 1 18 A H2' 1 18 A H8 . . 4.000 3.959 3.959 3.959 . 0 0 "[ ]" 2
107 1 18 A H3' 1 18 A H8 . . 4.000 2.770 2.770 2.770 . 0 0 "[ ]" 2
108 1 18 A H4' 1 18 A H8 . . 5.000 4.136 4.136 4.136 . 0 0 "[ ]" 2
109 1 18 A H1' 1 18 A H2' . . 3.000 2.734 2.734 2.734 . 0 0 "[ ]" 2
110 1 18 A H1' 1 18 A H3' . . 5.000 3.787 3.787 3.787 . 0 0 "[ ]" 2
111 1 18 A H1' 1 18 A H4' . . 4.000 3.478 3.478 3.478 . 0 0 "[ ]" 2
112 1 18 A H2' 1 18 A H4' . . 4.000 3.827 3.827 3.827 . 0 0 "[ ]" 2
113 1 18 A H2' 1 18 A H3' . . 3.000 2.328 2.328 2.328 . 0 0 "[ ]" 2
114 1 24 C H1' 1 24 C H2' . . 3.000 2.779 2.779 2.779 . 0 0 "[ ]" 2
115 1 24 C H1' 1 24 C H3' . . 4.000 3.810 3.810 3.810 . 0 0 "[ ]" 2
116 1 25 G H1' 1 25 G H2' . . 3.000 2.790 2.790 2.790 . 0 0 "[ ]" 2
117 1 26 G H1' 1 26 G H2' . . 3.000 2.821 2.821 2.821 . 0 0 "[ ]" 2
118 1 27 U H1' 1 27 U H2' . . 3.000 2.723 2.723 2.723 . 0 0 "[ ]" 2
119 1 27 U H1' 1 27 U H3' . . 5.000 3.817 3.817 3.817 . 0 0 "[ ]" 2
120 1 27 U H1' 1 27 U H4' . . 4.000 3.540 3.540 3.540 . 0 0 "[ ]" 2
121 1 27 U H2' 1 27 U H3' . . 3.000 2.314 2.314 2.314 . 0 0 "[ ]" 2
122 1 27 U H2' 1 27 U H4' . . 5.000 3.870 3.870 3.870 . 0 0 "[ ]" 2
123 1 27 U H3' 1 27 U H4' . . 3.000 3.037 3.037 3.037 0.037 1 0 "[ ]" 2
124 1 28 A H1' 1 28 A H8 . . 4.000 3.899 3.899 3.899 . 0 0 "[ ]" 2
125 1 28 A H1' 1 28 A H2' . . 3.000 3.042 3.042 3.042 0.042 1 0 "[ ]" 2
126 1 28 A H1' 1 28 A H3' . . 5.000 3.769 3.769 3.769 . 0 0 "[ ]" 2
127 1 28 A H1' 1 28 A H4' . . 4.000 3.125 3.125 3.125 . 0 0 "[ ]" 2
128 1 29 C H1' 1 29 C H6 . . 4.000 3.636 3.636 3.636 . 0 0 "[ ]" 2
129 1 29 C H2' 1 29 C H6 . . 5.000 3.942 3.942 3.942 . 0 0 "[ ]" 2
130 1 29 C H5 1 29 C H6 . . 3.000 2.361 2.361 2.361 . 0 0 "[ ]" 2
131 1 29 C H1' 1 29 C H2' . . 3.000 2.809 2.809 2.809 . 0 0 "[ ]" 2
132 1 29 C H1' 1 29 C H3' . . 5.000 3.829 3.829 3.829 . 0 0 "[ ]" 2
133 1 29 C H1' 1 29 C H4' . . 5.000 3.254 3.254 3.254 . 0 0 "[ ]" 2
134 1 30 A H1' 1 30 A H8 . . 4.000 3.805 3.805 3.805 . 0 0 "[ ]" 2
135 1 30 A H2' 1 30 A H8 . . 5.000 3.864 3.864 3.864 . 0 0 "[ ]" 2
136 1 30 A H3' 1 30 A H8 . . 3.000 2.964 2.964 2.964 . 0 0 "[ ]" 2
137 1 30 A H1' 1 30 A H2' . . 3.000 2.790 2.790 2.790 . 0 0 "[ ]" 2
138 1 30 A H1' 1 30 A H3' . . 4.000 3.800 3.800 3.800 . 0 0 "[ ]" 2
139 1 31 G H1' 1 31 G H8 . . 4.000 3.894 3.894 3.894 . 0 0 "[ ]" 2
140 1 31 G H2' 1 31 G H8 . . 4.000 2.833 2.833 2.833 . 0 0 "[ ]" 2
141 1 31 G H3' 1 31 G H8 . . 4.000 4.593 4.593 4.593 0.593 1 1 [+] 2
142 1 31 G Q5' 1 31 G H8 . . 6.000 3.567 3.567 3.567 . 0 0 "[ ]" 2
143 1 31 G H1' 1 31 G H2' . . 3.000 3.028 3.028 3.028 0.028 1 0 "[ ]" 2
144 1 31 G H1' 1 31 G H3' . . 4.000 3.817 3.817 3.817 . 0 0 "[ ]" 2
145 1 32 G H1' 1 32 G H2' . . 3.000 3.054 3.054 3.054 0.054 1 0 "[ ]" 2
146 1 32 G H1' 1 32 G H3' . . 5.000 3.752 3.752 3.752 . 0 0 "[ ]" 2
147 1 33 C H1' 1 33 C H2' . . 3.000 2.750 2.750 2.750 . 0 0 "[ ]" 2
148 1 34 C H1' 1 34 C H6 . . 4.000 3.673 3.673 3.673 . 0 0 "[ ]" 2
149 1 34 C H2' 1 34 C H6 . . 4.000 3.871 3.871 3.871 . 0 0 "[ ]" 2
150 1 34 C H3' 1 34 C H6 . . 3.000 2.810 2.810 2.810 . 0 0 "[ ]" 2
151 1 34 C Q5' 1 34 C H6 . . 6.000 3.298 3.298 3.298 . 0 0 "[ ]" 2
152 1 34 C H5 1 34 C H6 . . 3.000 2.366 2.366 2.366 . 0 0 "[ ]" 2
153 1 34 C H5 1 34 C Q5' . . 6.000 5.248 5.248 5.248 . 0 0 "[ ]" 2
154 1 34 C H1' 1 34 C H2' . . 3.000 2.745 2.745 2.745 . 0 0 "[ ]" 2
155 1 34 C H1' 1 34 C H3' . . 5.000 3.795 3.795 3.795 . 0 0 "[ ]" 2
156 1 34 C H2' 1 34 C H3' . . 3.000 2.336 2.336 2.336 . 0 0 "[ ]" 2
157 1 34 C H3' 1 34 C H4' . . 3.000 3.056 3.056 3.056 0.056 1 0 "[ ]" 2
158 1 34 C H3' 1 34 C Q5' . . 5.000 2.817 2.817 2.817 . 0 0 "[ ]" 2
159 1 1 G H8 1 2 G H8 . . 5.000 5.000 5.000 5.000 . 1 0 "[ ]" 2
160 1 1 G H2' 1 2 G Q5' . . 5.000 3.131 3.131 3.131 . 0 0 "[ ]" 2
161 1 1 G H2' 1 2 G H8 . . 3.000 2.236 2.236 2.236 . 0 0 "[ ]" 2
162 1 2 G H8 1 3 U H5 . . 5.000 4.740 4.740 4.740 . 0 0 "[ ]" 2
163 1 1 G H1' 1 2 G H8 . . 5.000 4.834 4.834 4.834 . 0 0 "[ ]" 2
164 1 1 G H3' 1 2 G H8 . . 4.000 3.918 3.918 3.918 . 0 0 "[ ]" 2
165 1 2 G H1' 1 3 U H6 . . 5.000 5.003 5.003 5.003 0.003 1 0 "[ ]" 2
166 1 2 G H2' 1 3 U H6 . . 3.000 2.344 2.344 2.344 . 0 0 "[ ]" 2
167 1 2 G H2' 1 3 U H5 . . 5.000 3.712 3.712 3.712 . 0 0 "[ ]" 2
168 1 2 G H3' 1 3 U H5 . . 5.000 4.425 4.425 4.425 . 0 0 "[ ]" 2
169 1 3 U H6 1 4 C H6 . . 5.000 4.597 4.597 4.597 . 0 0 "[ ]" 2
170 1 3 U H5 1 4 C H5 . . 5.000 3.678 3.678 3.678 . 0 0 "[ ]" 2
171 1 3 U H1' 1 4 C H6 . . 5.000 4.390 4.390 4.390 . 0 0 "[ ]" 2
172 1 3 U H2' 1 4 C H6 . . 3.000 1.789 1.789 1.789 0.011 1 0 "[ ]" 2
173 1 3 U H3' 1 4 C H6 . . 5.000 3.536 3.536 3.536 . 0 0 "[ ]" 2
174 1 3 U H2' 1 4 C H5 . . 4.000 3.167 3.167 3.167 . 0 0 "[ ]" 2
175 1 3 U H3' 1 4 C H5 . . 4.000 4.025 4.025 4.025 0.025 1 0 "[ ]" 2
176 1 4 C H5 1 5 U H5 . . 5.000 4.509 4.509 4.509 . 0 0 "[ ]" 2
177 1 4 C H1' 1 5 U H6 . . 5.000 5.001 5.001 5.001 0.001 1 0 "[ ]" 2
178 1 4 C H2' 1 5 U H6 . . 3.000 2.414 2.414 2.414 . 0 0 "[ ]" 2
179 1 4 C H3' 1 5 U H6 . . 4.000 3.967 3.967 3.967 . 0 0 "[ ]" 2
180 1 4 C H6 1 5 U H5 . . 5.000 4.903 4.903 4.903 . 0 0 "[ ]" 2
181 1 5 U H1' 1 6 G H8 . . 5.000 4.374 4.374 4.374 . 0 0 "[ ]" 2
182 1 5 U H2' 1 6 G H8 . . 3.000 1.792 1.792 1.792 0.008 1 0 "[ ]" 2
183 1 5 U H3' 1 6 G H8 . . 4.000 3.119 3.119 3.119 . 0 0 "[ ]" 2
184 1 6 G H1' 1 7 G H8 . . 4.000 4.007 4.007 4.007 0.007 1 0 "[ ]" 2
185 1 7 G H8 1 8 G H8 . . 5.000 3.984 3.984 3.984 . 0 0 "[ ]" 2
186 1 7 G H1' 1 8 G H8 . . 5.000 4.225 4.225 4.225 . 0 0 "[ ]" 2
187 1 7 G H2' 1 8 G H8 . . 5.000 1.770 1.770 1.770 0.030 1 0 "[ ]" 2
188 1 7 G H3' 1 8 G H8 . . 4.000 3.610 3.610 3.610 . 0 0 "[ ]" 2
189 1 8 G H1' 1 9 C H6 . . 4.000 3.371 3.371 3.371 . 0 0 "[ ]" 2
190 1 8 G H2' 1 9 C H6 . . 4.000 3.677 3.677 3.677 . 0 0 "[ ]" 2
191 1 9 C H2' 1 10 G H3' . . 5.000 4.150 4.150 4.150 . 0 0 "[ ]" 2
192 1 9 C H2' 1 10 G H8 . . 3.000 2.343 2.343 2.343 . 0 0 "[ ]" 2
193 1 9 C H1' 1 10 G H8 . . 5.000 5.003 5.003 5.003 0.003 1 0 "[ ]" 2
194 1 9 C H3' 1 10 G H8 . . 4.000 3.901 3.901 3.901 . 0 0 "[ ]" 2
195 1 10 G H8 1 11 C H5 . . 5.000 3.429 3.429 3.429 . 0 0 "[ ]" 2
196 1 10 G H1' 1 11 C H6 . . 5.000 4.347 4.347 4.347 . 0 0 "[ ]" 2
197 1 10 G H2' 1 11 C H6 . . 3.000 1.821 1.821 1.821 . 0 0 "[ ]" 2
198 1 10 G H2' 1 11 C H5 . . 4.000 3.645 3.645 3.645 . 0 0 "[ ]" 2
199 1 11 C H6 1 12 A H8 . . 5.000 4.540 4.540 4.540 . 0 0 "[ ]" 2
200 1 11 C H1' 1 12 A H8 . . 5.000 4.712 4.712 4.712 . 0 0 "[ ]" 2
201 1 11 C H2' 1 12 A H8 . . 3.000 2.004 2.004 2.004 . 0 0 "[ ]" 2
202 1 11 C H3' 1 12 A H8 . . 4.000 3.193 3.193 3.193 . 0 0 "[ ]" 2
203 1 12 A H8 1 13 G H8 . . 5.000 4.996 4.996 4.996 . 0 0 "[ ]" 2
204 1 12 A H2 1 13 G H1' . . 4.000 3.720 3.720 3.720 . 0 0 "[ ]" 2
205 1 12 A H1' 1 13 G H8 . . 5.000 5.001 5.001 5.001 0.001 1 0 "[ ]" 2
206 1 12 A H2' 1 13 G H8 . . 3.000 2.385 2.385 2.385 . 0 0 "[ ]" 2
207 1 12 A H3' 1 13 G H8 . . 4.000 3.677 3.677 3.677 . 0 0 "[ ]" 2
208 1 13 G H1' 1 14 C H6 . . 5.000 4.477 4.477 4.477 . 0 0 "[ ]" 2
209 1 13 G H2' 1 14 C H6 . . 3.000 1.905 1.905 1.905 . 0 0 "[ ]" 2
210 1 13 G H3' 1 14 C H6 . . 4.000 3.439 3.439 3.439 . 0 0 "[ ]" 2
211 1 13 G H2' 1 14 C H5 . . 4.000 3.370 3.370 3.370 . 0 0 "[ ]" 2
212 1 13 G H3' 1 14 C H5 . . 4.000 4.038 4.038 4.038 0.038 1 0 "[ ]" 2
213 1 14 C H1' 1 15 G H8 . . 5.000 5.019 5.019 5.019 0.019 1 0 "[ ]" 2
214 1 14 C H2' 1 15 G H8 . . 3.000 2.261 2.261 2.261 . 0 0 "[ ]" 2
215 1 14 C H3' 1 15 G H8 . . 4.000 3.407 3.407 3.407 . 0 0 "[ ]" 2
216 1 16 C H2' 1 17 A H8 . . 3.000 3.004 3.004 3.004 0.004 1 0 "[ ]" 2
217 1 16 C H3' 1 17 A H8 . . 3.000 2.630 2.630 2.630 . 0 0 "[ ]" 2
218 1 16 C H4' 1 17 A H8 . . 5.000 5.009 5.009 5.009 0.009 1 0 "[ ]" 2
219 1 17 A H2 1 18 A H1' . . 5.000 2.746 2.746 2.746 . 0 0 "[ ]" 2
220 1 17 A H2' 1 18 A H1' . . 5.000 3.575 3.575 3.575 . 0 0 "[ ]" 2
221 1 17 A H2 1 18 A H2 . . 5.000 3.842 3.842 3.842 . 0 0 "[ ]" 2
222 1 17 A H1' 1 18 A H8 . . 5.000 4.495 4.495 4.495 . 0 0 "[ ]" 2
223 1 17 A H2' 1 18 A H8 . . 3.000 1.780 1.780 1.780 0.020 1 0 "[ ]" 2
224 1 17 A H3' 1 18 A H8 . . 4.000 2.639 2.639 2.639 . 0 0 "[ ]" 2
225 1 17 A H4' 1 18 A H8 . . 5.000 5.019 5.019 5.019 0.019 1 0 "[ ]" 2
226 1 25 G H1' 1 26 G H2' . . 5.000 7.372 7.372 7.372 2.372 1 1 [+] 2
227 1 25 G H2' 1 26 G H1' . . 5.000 4.087 4.087 4.087 . 0 0 "[ ]" 2
228 1 25 G H2' 1 26 G H2' . . 4.000 5.162 5.162 5.162 1.162 1 1 [+] 2
229 1 26 G H4' 1 27 U H3' . . 4.000 7.133 7.133 7.133 3.133 1 1 [+] 2
230 1 26 G H1' 1 28 A H8 . . 5.000 13.841 13.841 13.841 8.841 1 1 [+] 2
231 1 28 A H8 1 29 C H5 . . 5.000 11.177 11.177 11.177 6.177 1 1 [+] 2
232 1 28 A H2 1 29 C H1' . . 3.000 14.429 14.429 14.429 11.429 1 1 [+] 2
233 1 28 A H2 1 29 C H2' . . 5.000 13.532 13.532 13.532 8.532 1 1 [+] 2
234 1 27 U H4' 1 28 A H8 . . 5.000 7.887 7.887 7.887 2.887 1 1 [+] 2
235 1 28 A H1' 1 29 C H6 . . 5.000 8.421 8.421 8.421 3.421 1 1 [+] 2
236 1 28 A H2' 1 29 C H6 . . 3.000 8.472 8.472 8.472 5.472 1 1 [+] 2
237 1 28 A H3' 1 29 C H6 . . 4.000 6.633 6.633 6.633 2.633 1 1 [+] 2
238 1 28 A H2' 1 29 C H5 . . 4.000 10.328 10.328 10.328 6.328 1 1 [+] 2
239 1 28 A H3' 1 29 C H5 . . 4.000 8.719 8.719 8.719 4.719 1 1 [+] 2
240 1 29 C H1' 1 30 A H8 . . 5.000 4.898 4.898 4.898 . 0 0 "[ ]" 2
241 1 29 C H2' 1 30 A H8 . . 3.000 2.202 2.202 2.202 . 0 0 "[ ]" 2
242 1 29 C H3' 1 30 A H8 . . 5.000 3.248 3.248 3.248 . 0 0 "[ ]" 2
243 1 30 A H2' 1 31 G Q5' . . 5.000 4.516 4.516 4.516 . 0 0 "[ ]" 2
244 1 30 A H1' 1 31 G H8 . . 5.000 5.031 5.031 5.031 0.031 1 0 "[ ]" 2
245 1 30 A H2' 1 31 G H8 . . 3.000 2.280 2.280 2.280 . 0 0 "[ ]" 2
246 1 30 A H3' 1 31 G H8 . . 4.000 3.209 3.209 3.209 . 0 0 "[ ]" 2
247 1 30 A H2' 1 31 G H1' . . 5.000 5.097 5.097 5.097 0.097 1 0 "[ ]" 2
248 1 33 C H1' 1 34 C H6 . . 5.000 5.013 5.013 5.013 0.013 1 0 "[ ]" 2
249 1 33 C H2' 1 34 C H6 . . 3.000 2.418 2.418 2.418 . 0 0 "[ ]" 2
stop_
save_
save_distance_constraint_statistics_3
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 3
_Distance_constraint_stats_list.Constraint_count 209
_Distance_constraint_stats_list.Viol_count 3
_Distance_constraint_stats_list.Viol_total 0.196
_Distance_constraint_stats_list.Viol_max 0.095
_Distance_constraint_stats_list.Viol_rms 0.0083
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0009
_Distance_constraint_stats_list.Viol_average_violations_only 0.0654
_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
2 1 ASP 0.000 0.000 . 0 "[ ]"
2 2 THR 0.035 0.035 1 0 "[ ]"
2 3 ARG 0.000 0.000 . 0 "[ ]"
2 4 GLN 0.000 0.000 . 0 "[ ]"
2 5 ALA 0.035 0.035 1 0 "[ ]"
2 6 ARG 0.000 0.000 . 0 "[ ]"
2 7 ARG 0.000 0.000 . 0 "[ ]"
2 8 ASN 0.000 0.000 . 0 "[ ]"
2 9 ARG 0.000 0.000 . 0 "[ ]"
2 10 ARG 0.000 0.000 . 0 "[ ]"
2 11 ARG 0.000 0.000 . 0 "[ ]"
2 12 ARG 0.000 0.000 . 0 "[ ]"
2 13 TRP 0.161 0.095 1 0 "[ ]"
2 14 ARG 0.067 0.067 1 0 "[ ]"
2 15 GLU 0.000 0.000 . 0 "[ ]"
2 16 ARG 0.000 0.000 . 0 "[ ]"
2 17 GLN 0.000 0.000 . 0 "[ ]"
2 18 ARG 0.000 0.000 . 0 "[ ]"
2 19 ALA 0.000 0.000 . 0 "[ ]"
2 20 ALA 0.000 0.000 . 0 "[ ]"
2 21 ALA 0.000 0.000 . 0 "[ ]"
2 22 ALA 0.000 0.000 . 0 "[ ]"
2 23 ARG 0.000 0.000 . 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 2 2 THR H 2 2 THR HA . . 3.000 2.967 2.967 2.967 . 0 0 "[ ]" 3
2 2 3 ARG H 2 3 ARG HA . . 3.000 2.839 2.839 2.839 . 0 0 "[ ]" 3
3 2 3 ARG H 2 3 ARG QG . . 5.000 2.155 2.155 2.155 . 0 0 "[ ]" 3
4 2 3 ARG H 2 3 ARG QD . . 6.000 3.699 3.699 3.699 . 0 0 "[ ]" 3
5 2 3 ARG HA 2 3 ARG HE . . 6.000 4.921 4.921 4.921 . 0 0 "[ ]" 3
6 2 4 GLN H 2 4 GLN QG . . 4.000 3.272 3.272 3.272 . 0 0 "[ ]" 3
7 2 4 GLN H 2 4 GLN HA . . 3.000 2.810 2.810 2.810 . 0 0 "[ ]" 3
8 2 4 GLN HA 2 4 GLN QG . . 4.000 2.469 2.469 2.469 . 0 0 "[ ]" 3
9 2 5 ALA H 2 5 ALA HA . . 3.000 2.782 2.782 2.782 . 0 0 "[ ]" 3
10 2 6 ARG H 2 6 ARG QG . . 5.000 3.964 3.964 3.964 . 0 0 "[ ]" 3
11 2 6 ARG H 2 6 ARG QD . . 6.000 4.638 4.638 4.638 . 0 0 "[ ]" 3
12 2 7 ARG QB 2 7 ARG HE . . 5.000 2.786 2.786 2.786 . 0 0 "[ ]" 3
13 2 7 ARG H 2 7 ARG QD . . 6.000 3.216 3.216 3.216 . 0 0 "[ ]" 3
14 2 8 ASN H 2 8 ASN HA . . 3.000 2.792 2.792 2.792 . 0 0 "[ ]" 3
15 2 8 ASN H 2 8 ASN QB . . 3.000 2.488 2.488 2.488 . 0 0 "[ ]" 3
16 2 9 ARG H 2 9 ARG HA . . 3.000 2.855 2.855 2.855 . 0 0 "[ ]" 3
17 2 9 ARG HA 2 9 ARG QG . . 4.000 2.400 2.400 2.400 . 0 0 "[ ]" 3
18 2 9 ARG HA 2 9 ARG QD . . 5.000 4.218 4.218 4.218 . 0 0 "[ ]" 3
19 2 10 ARG H 2 10 ARG HA . . 3.000 2.784 2.784 2.784 . 0 0 "[ ]" 3
20 2 10 ARG H 2 10 ARG QG . . 5.000 3.924 3.924 3.924 . 0 0 "[ ]" 3
21 2 10 ARG H 2 10 ARG QD . . 6.000 4.705 4.705 4.705 . 0 0 "[ ]" 3
22 2 10 ARG QB 2 10 ARG HE . . 5.000 2.610 2.610 2.610 . 0 0 "[ ]" 3
23 2 11 ARG H 2 11 ARG HA . . 3.000 2.816 2.816 2.816 . 0 0 "[ ]" 3
24 2 11 ARG H 2 11 ARG QG . . 5.000 3.960 3.960 3.960 . 0 0 "[ ]" 3
25 2 11 ARG QB 2 11 ARG HE . . 5.000 2.616 2.616 2.616 . 0 0 "[ ]" 3
26 2 12 ARG H 2 12 ARG HA . . 3.000 2.864 2.864 2.864 . 0 0 "[ ]" 3
27 2 12 ARG H 2 12 ARG QG . . 5.000 2.078 2.078 2.078 . 0 0 "[ ]" 3
28 2 12 ARG H 2 12 ARG QD . . 6.000 3.105 3.105 3.105 . 0 0 "[ ]" 3
29 2 12 ARG HA 2 12 ARG QD . . 5.000 2.318 2.318 2.318 . 0 0 "[ ]" 3
30 2 12 ARG HA 2 12 ARG HE . . 6.000 4.882 4.882 4.882 . 0 0 "[ ]" 3
31 2 12 ARG QB 2 12 ARG HE . . 5.000 3.976 3.976 3.976 . 0 0 "[ ]" 3
32 2 13 TRP H 2 13 TRP HA . . 3.000 2.813 2.813 2.813 . 0 0 "[ ]" 3
33 2 13 TRP H 2 13 TRP HD1 . . 5.000 4.780 4.780 4.780 . 0 0 "[ ]" 3
34 2 13 TRP H 2 13 TRP HE3 . . 5.000 4.884 4.884 4.884 . 0 0 "[ ]" 3
35 2 13 TRP HA 2 13 TRP HD1 . . 4.000 2.535 2.535 2.535 . 0 0 "[ ]" 3
36 2 13 TRP HA 2 13 TRP HE3 . . 5.000 5.095 5.095 5.095 0.095 1 0 "[ ]" 3
37 2 14 ARG H 2 14 ARG HA . . 3.000 2.815 2.815 2.815 . 0 0 "[ ]" 3
38 2 14 ARG H 2 14 ARG QG . . 5.000 3.611 3.611 3.611 . 0 0 "[ ]" 3
39 2 14 ARG H 2 14 ARG QD . . 6.000 5.225 5.225 5.225 . 0 0 "[ ]" 3
40 2 14 ARG HA 2 14 ARG QG . . 4.000 2.785 2.785 2.785 . 0 0 "[ ]" 3
41 2 14 ARG HA 2 14 ARG HE . . 6.000 4.689 4.689 4.689 . 0 0 "[ ]" 3
42 2 15 GLU H 2 15 GLU HA . . 3.000 2.826 2.826 2.826 . 0 0 "[ ]" 3
43 2 15 GLU H 2 15 GLU QG . . 5.000 3.947 3.947 3.947 . 0 0 "[ ]" 3
44 2 16 ARG H 2 16 ARG HA . . 3.000 2.815 2.815 2.815 . 0 0 "[ ]" 3
45 2 16 ARG H 2 16 ARG QG . . 5.000 3.794 3.794 3.794 . 0 0 "[ ]" 3
46 2 16 ARG H 2 16 ARG QD . . 6.000 4.641 4.641 4.641 . 0 0 "[ ]" 3
47 2 16 ARG HA 2 16 ARG QG . . 4.000 2.472 2.472 2.472 . 0 0 "[ ]" 3
48 2 16 ARG HA 2 16 ARG HE . . 6.000 4.123 4.123 4.123 . 0 0 "[ ]" 3
49 2 16 ARG QB 2 16 ARG HE . . 5.000 2.061 2.061 2.061 . 0 0 "[ ]" 3
50 2 17 GLN H 2 17 GLN HA . . 3.000 2.764 2.764 2.764 . 0 0 "[ ]" 3
51 2 17 GLN H 2 17 GLN QG . . 5.000 3.980 3.980 3.980 . 0 0 "[ ]" 3
52 2 17 GLN H 2 17 GLN QE . . 6.000 5.558 5.558 5.558 . 0 0 "[ ]" 3
53 2 17 GLN HA 2 17 GLN QG . . 4.000 2.695 2.695 2.695 . 0 0 "[ ]" 3
54 2 18 ARG H 2 18 ARG HA . . 3.000 2.811 2.811 2.811 . 0 0 "[ ]" 3
55 2 18 ARG H 2 18 ARG QD . . 6.000 4.648 4.648 4.648 . 0 0 "[ ]" 3
56 2 18 ARG QB 2 18 ARG HE . . 5.000 2.081 2.081 2.081 . 0 0 "[ ]" 3
57 2 19 ALA H 2 19 ALA HA . . 3.000 2.817 2.817 2.817 . 0 0 "[ ]" 3
58 2 21 ALA H 2 21 ALA HA . . 3.000 2.807 2.807 2.807 . 0 0 "[ ]" 3
59 2 22 ALA H 2 22 ALA HA . . 3.000 2.851 2.851 2.851 . 0 0 "[ ]" 3
60 2 23 ARG H 2 23 ARG HA . . 3.000 2.902 2.902 2.902 . 0 0 "[ ]" 3
61 2 23 ARG H 2 23 ARG QD . . 6.000 4.403 4.403 4.403 . 0 0 "[ ]" 3
62 2 23 ARG HA 2 23 ARG QD . . 5.000 3.993 3.993 3.993 . 0 0 "[ ]" 3
63 2 23 ARG HA 2 23 ARG HE . . 6.000 5.721 5.721 5.721 . 0 0 "[ ]" 3
64 2 23 ARG QB 2 23 ARG HE . . 5.000 4.150 4.150 4.150 . 0 0 "[ ]" 3
65 2 1 ASP HA 2 2 THR MG . . 6.000 3.420 3.420 3.420 . 0 0 "[ ]" 3
66 2 1 ASP HA 2 5 ALA MB . . 6.000 3.283 3.283 3.283 . 0 0 "[ ]" 3
67 2 1 ASP HA 2 2 THR H . . 4.000 2.453 2.453 2.453 . 0 0 "[ ]" 3
68 2 1 ASP QB 2 2 THR MG . . 7.000 4.270 4.270 4.270 . 0 0 "[ ]" 3
69 2 1 ASP QB 2 2 THR HA . . 6.000 4.000 4.000 4.000 . 0 0 "[ ]" 3
70 2 1 ASP QB 2 2 THR H . . 5.000 2.266 2.266 2.266 . 0 0 "[ ]" 3
71 2 1 ASP QB 2 5 ALA MB . . 7.000 3.098 3.098 3.098 . 0 0 "[ ]" 3
72 2 1 ASP QB 2 6 ARG QD . . 8.000 5.416 5.416 5.416 . 0 0 "[ ]" 3
73 2 1 ASP QB 2 6 ARG HE . . 7.000 3.992 3.992 3.992 . 0 0 "[ ]" 3
74 2 2 THR H 2 3 ARG H . . 5.000 4.409 4.409 4.409 . 0 0 "[ ]" 3
75 2 2 THR H 2 5 ALA H . . 5.000 3.617 3.617 3.617 . 0 0 "[ ]" 3
76 2 2 THR H 2 5 ALA HA . . 5.000 5.035 5.035 5.035 0.035 1 0 "[ ]" 3
77 2 2 THR H 2 5 ALA MB . . 5.000 2.036 2.036 2.036 . 0 0 "[ ]" 3
78 2 2 THR HA 2 3 ARG H . . 3.000 2.462 2.462 2.462 . 0 0 "[ ]" 3
79 2 2 THR HA 2 4 GLN H . . 5.000 4.521 4.521 4.521 . 0 0 "[ ]" 3
80 2 2 THR HA 2 5 ALA MB . . 6.000 4.364 4.364 4.364 . 0 0 "[ ]" 3
81 2 2 THR HB 2 5 ALA MB . . 7.000 4.220 4.220 4.220 . 0 0 "[ ]" 3
82 2 2 THR HB 2 4 GLN QB . . 7.000 3.628 3.628 3.628 . 0 0 "[ ]" 3
83 2 2 THR MG 2 3 ARG H . . 5.000 3.728 3.728 3.728 . 0 0 "[ ]" 3
84 2 2 THR MG 2 4 GLN H . . 6.000 4.501 4.501 4.501 . 0 0 "[ ]" 3
85 2 2 THR MG 2 4 GLN QB . . 7.000 4.298 4.298 4.298 . 0 0 "[ ]" 3
86 2 2 THR MG 2 4 GLN QE . . 7.000 3.595 3.595 3.595 . 0 0 "[ ]" 3
87 2 2 THR MG 2 5 ALA H . . 6.000 4.206 4.206 4.206 . 0 0 "[ ]" 3
88 2 2 THR MG 2 5 ALA MB . . 7.000 3.605 3.605 3.605 . 0 0 "[ ]" 3
89 2 3 ARG H 2 4 GLN H . . 3.000 2.707 2.707 2.707 . 0 0 "[ ]" 3
90 2 3 ARG H 2 4 GLN QB . . 6.000 4.532 4.532 4.532 . 0 0 "[ ]" 3
91 2 3 ARG H 2 5 ALA H . . 5.000 4.414 4.414 4.414 . 0 0 "[ ]" 3
92 2 3 ARG H 2 5 ALA MB . . 7.000 4.909 4.909 4.909 . 0 0 "[ ]" 3
93 2 3 ARG QG 2 4 GLN H . . 6.000 4.036 4.036 4.036 . 0 0 "[ ]" 3
94 2 4 GLN H 2 5 ALA H . . 3.000 2.899 2.899 2.899 . 0 0 "[ ]" 3
95 2 4 GLN H 2 6 ARG H . . 5.000 4.235 4.235 4.235 . 0 0 "[ ]" 3
96 2 4 GLN HA 2 5 ALA H . . 4.000 3.615 3.615 3.615 . 0 0 "[ ]" 3
97 2 4 GLN HA 2 7 ARG H . . 5.000 3.381 3.381 3.381 . 0 0 "[ ]" 3
98 2 4 GLN QB 2 5 ALA H . . 5.000 2.289 2.289 2.289 . 0 0 "[ ]" 3
99 2 4 GLN QG 2 5 ALA H . . 6.000 4.322 4.322 4.322 . 0 0 "[ ]" 3
100 2 4 GLN QG 2 8 ASN QD . . 8.000 3.592 3.592 3.592 . 0 0 "[ ]" 3
101 2 5 ALA H 2 6 ARG H . . 4.000 2.868 2.868 2.868 . 0 0 "[ ]" 3
102 2 5 ALA HA 2 6 ARG H . . 5.000 3.600 3.600 3.600 . 0 0 "[ ]" 3
103 2 5 ALA HA 2 8 ASN H . . 4.000 3.654 3.654 3.654 . 0 0 "[ ]" 3
104 2 5 ALA HA 2 8 ASN QB . . 6.000 2.515 2.515 2.515 . 0 0 "[ ]" 3
105 2 5 ALA HA 2 8 ASN QD . . 7.000 2.565 2.565 2.565 . 0 0 "[ ]" 3
106 2 5 ALA MB 2 6 ARG H . . 4.000 2.390 2.390 2.390 . 0 0 "[ ]" 3
107 2 5 ALA MB 2 8 ASN QD . . 8.000 3.842 3.842 3.842 . 0 0 "[ ]" 3
108 2 5 ALA MB 2 9 ARG QD . . 8.000 5.018 5.018 5.018 . 0 0 "[ ]" 3
109 2 5 ALA MB 2 9 ARG HE . . 7.000 3.948 3.948 3.948 . 0 0 "[ ]" 3
110 2 6 ARG HA 2 9 ARG HE . . 5.000 4.447 4.447 4.447 . 0 0 "[ ]" 3
111 2 6 ARG H 2 7 ARG H . . 5.000 2.643 2.643 2.643 . 0 0 "[ ]" 3
112 2 7 ARG HA 2 8 ASN H . . 4.000 3.598 3.598 3.598 . 0 0 "[ ]" 3
113 2 7 ARG HA 2 10 ARG HE . . 5.000 3.836 3.836 3.836 . 0 0 "[ ]" 3
114 2 8 ASN HA 2 9 ARG H . . 5.000 3.596 3.596 3.596 . 0 0 "[ ]" 3
115 2 8 ASN HA 2 11 ARG H . . 5.000 3.825 3.825 3.825 . 0 0 "[ ]" 3
116 2 8 ASN HA 2 12 ARG H . . 5.000 4.683 4.683 4.683 . 0 0 "[ ]" 3
117 2 8 ASN HA 2 11 ARG QB . . 5.000 2.932 2.932 2.932 . 0 0 "[ ]" 3
118 2 8 ASN HA 2 11 ARG HE . . 5.000 2.890 2.890 2.890 . 0 0 "[ ]" 3
119 2 8 ASN HA 2 12 ARG HE . . 5.000 4.843 4.843 4.843 . 0 0 "[ ]" 3
120 2 8 ASN QB 2 12 ARG HE . . 7.000 3.752 3.752 3.752 . 0 0 "[ ]" 3
121 2 9 ARG HA 2 10 ARG H . . 4.000 3.600 3.600 3.600 . 0 0 "[ ]" 3
122 2 9 ARG HA 2 12 ARG H . . 4.000 3.439 3.439 3.439 . 0 0 "[ ]" 3
123 2 9 ARG HA 2 13 TRP H . . 5.000 4.472 4.472 4.472 . 0 0 "[ ]" 3
124 2 9 ARG HA 2 12 ARG QB . . 6.000 3.104 3.104 3.104 . 0 0 "[ ]" 3
125 2 9 ARG HA 2 12 ARG HE . . 4.000 3.921 3.921 3.921 . 0 0 "[ ]" 3
126 2 9 ARG QG 2 10 ARG H . . 6.000 3.612 3.612 3.612 . 0 0 "[ ]" 3
127 2 9 ARG QD 2 10 ARG H . . 6.000 4.294 4.294 4.294 . 0 0 "[ ]" 3
128 2 10 ARG H 2 11 ARG H . . 5.000 2.822 2.822 2.822 . 0 0 "[ ]" 3
129 2 10 ARG HA 2 11 ARG H . . 4.000 3.590 3.590 3.590 . 0 0 "[ ]" 3
130 2 10 ARG HA 2 13 TRP H . . 4.000 3.166 3.166 3.166 . 0 0 "[ ]" 3
131 2 10 ARG HA 2 14 ARG H . . 5.000 3.808 3.808 3.808 . 0 0 "[ ]" 3
132 2 10 ARG HA 2 13 TRP QB . . 5.000 2.562 2.562 2.562 . 0 0 "[ ]" 3
133 2 11 ARG HA 2 14 ARG H . . 5.000 3.680 3.680 3.680 . 0 0 "[ ]" 3
134 2 11 ARG HA 2 14 ARG QB . . 5.000 2.756 2.756 2.756 . 0 0 "[ ]" 3
135 2 11 ARG HA 2 14 ARG HE . . 5.000 3.070 3.070 3.070 . 0 0 "[ ]" 3
136 2 12 ARG H 2 13 TRP H . . 4.000 2.693 2.693 2.693 . 0 0 "[ ]" 3
137 2 12 ARG HA 2 13 TRP H . . 4.000 3.597 3.597 3.597 . 0 0 "[ ]" 3
138 2 12 ARG HA 2 15 GLU H . . 4.000 3.868 3.868 3.868 . 0 0 "[ ]" 3
139 2 12 ARG HA 2 15 GLU QB . . 5.000 2.807 2.807 2.807 . 0 0 "[ ]" 3
140 2 12 ARG HA 2 15 GLU QG . . 6.000 4.698 4.698 4.698 . 0 0 "[ ]" 3
141 2 12 ARG QB 2 13 TRP H . . 6.000 2.228 2.228 2.228 . 0 0 "[ ]" 3
142 2 12 ARG QG 2 13 TRP H . . 6.000 3.769 3.769 3.769 . 0 0 "[ ]" 3
143 2 13 TRP HD1 2 16 ARG QG . . 7.000 5.016 5.016 5.016 . 0 0 "[ ]" 3
144 2 13 TRP HE3 2 14 ARG HA . . 4.000 4.067 4.067 4.067 0.067 1 0 "[ ]" 3
145 2 13 TRP HE3 2 14 ARG QB . . 6.000 3.606 3.606 3.606 . 0 0 "[ ]" 3
146 2 13 TRP HE3 2 14 ARG QG . . 6.000 4.810 4.810 4.810 . 0 0 "[ ]" 3
147 2 13 TRP HZ3 2 14 ARG HA . . 7.000 5.442 5.442 5.442 . 0 0 "[ ]" 3
148 2 13 TRP HZ3 2 14 ARG QB . . 7.000 5.010 5.010 5.010 . 0 0 "[ ]" 3
149 2 13 TRP HE1 2 17 GLN QE . . 6.000 5.275 5.275 5.275 . 0 0 "[ ]" 3
150 2 13 TRP H 2 14 ARG H . . 4.000 2.862 2.862 2.862 . 0 0 "[ ]" 3
151 2 13 TRP HA 2 14 ARG H . . 5.000 3.614 3.614 3.614 . 0 0 "[ ]" 3
152 2 13 TRP HA 2 16 ARG H . . 5.000 3.644 3.644 3.644 . 0 0 "[ ]" 3
153 2 13 TRP HA 2 16 ARG QB . . 5.000 2.581 2.581 2.581 . 0 0 "[ ]" 3
154 2 13 TRP HA 2 16 ARG QG . . 6.000 3.972 3.972 3.972 . 0 0 "[ ]" 3
155 2 13 TRP HA 2 16 ARG HE . . 5.000 4.149 4.149 4.149 . 0 0 "[ ]" 3
156 2 13 TRP QB 2 14 ARG H . . 5.000 2.304 2.304 2.304 . 0 0 "[ ]" 3
157 2 13 TRP QB 2 15 GLU H . . 7.000 4.771 4.771 4.771 . 0 0 "[ ]" 3
158 2 13 TRP QB 2 16 ARG H . . 6.000 4.936 4.936 4.936 . 0 0 "[ ]" 3
159 2 14 ARG H 2 15 GLU H . . 4.000 2.835 2.835 2.835 . 0 0 "[ ]" 3
160 2 14 ARG H 2 16 ARG H . . 5.000 4.087 4.087 4.087 . 0 0 "[ ]" 3
161 2 14 ARG HA 2 15 GLU H . . 4.000 3.602 3.602 3.602 . 0 0 "[ ]" 3
162 2 14 ARG HA 2 17 GLN H . . 5.000 3.884 3.884 3.884 . 0 0 "[ ]" 3
163 2 14 ARG HA 2 17 GLN QB . . 5.000 2.997 2.997 2.997 . 0 0 "[ ]" 3
164 2 14 ARG HA 2 17 GLN QG . . 6.000 4.466 4.466 4.466 . 0 0 "[ ]" 3
165 2 14 ARG QB 2 15 GLU H . . 5.000 2.230 2.230 2.230 . 0 0 "[ ]" 3
166 2 14 ARG QG 2 15 GLU H . . 6.000 3.058 3.058 3.058 . 0 0 "[ ]" 3
167 2 14 ARG QD 2 15 GLU H . . 6.000 4.708 4.708 4.708 . 0 0 "[ ]" 3
168 2 14 ARG HE 2 15 GLU H . . 5.000 4.076 4.076 4.076 . 0 0 "[ ]" 3
169 2 15 GLU H 2 16 ARG H . . 4.000 2.703 2.703 2.703 . 0 0 "[ ]" 3
170 2 15 GLU HA 2 16 ARG H . . 5.000 3.588 3.588 3.588 . 0 0 "[ ]" 3
171 2 15 GLU HA 2 18 ARG H . . 5.000 3.173 3.173 3.173 . 0 0 "[ ]" 3
172 2 15 GLU HA 2 18 ARG QB . . 5.000 2.059 2.059 2.059 . 0 0 "[ ]" 3
173 2 15 GLU HA 2 18 ARG HE . . 5.000 3.754 3.754 3.754 . 0 0 "[ ]" 3
174 2 15 GLU QB 2 16 ARG H . . 5.000 2.537 2.537 2.537 . 0 0 "[ ]" 3
175 2 15 GLU QB 2 19 ALA MB . . 8.000 5.716 5.716 5.716 . 0 0 "[ ]" 3
176 2 15 GLU QB 2 18 ARG HE . . 7.000 5.533 5.533 5.533 . 0 0 "[ ]" 3
177 2 15 GLU QG 2 16 ARG H . . 6.000 3.752 3.752 3.752 . 0 0 "[ ]" 3
178 2 16 ARG HA 2 17 GLN H . . 5.000 3.632 3.632 3.632 . 0 0 "[ ]" 3
179 2 16 ARG QD 2 17 GLN H . . 6.000 4.171 4.171 4.171 . 0 0 "[ ]" 3
180 2 16 ARG HA 2 19 ALA MB . . 5.000 3.369 3.369 3.369 . 0 0 "[ ]" 3
181 2 16 ARG QB 2 19 ALA MB . . 7.000 4.880 4.880 4.880 . 0 0 "[ ]" 3
182 2 16 ARG QD 2 19 ALA MB . . 7.000 3.175 3.175 3.175 . 0 0 "[ ]" 3
183 2 17 GLN HA 2 18 ARG H . . 5.000 3.489 3.489 3.489 . 0 0 "[ ]" 3
184 2 17 GLN HA 2 20 ALA H . . 5.000 3.366 3.366 3.366 . 0 0 "[ ]" 3
185 2 17 GLN HA 2 21 ALA H . . 5.000 3.569 3.569 3.569 . 0 0 "[ ]" 3
186 2 17 GLN HA 2 20 ALA MB . . 5.000 2.478 2.478 2.478 . 0 0 "[ ]" 3
187 2 17 GLN QE 2 20 ALA MB . . 7.000 3.627 3.627 3.627 . 0 0 "[ ]" 3
188 2 18 ARG HA 2 19 ALA H . . 4.000 3.608 3.608 3.608 . 0 0 "[ ]" 3
189 2 18 ARG HA 2 20 ALA H . . 5.000 4.697 4.697 4.697 . 0 0 "[ ]" 3
190 2 18 ARG HA 2 21 ALA H . . 4.000 3.675 3.675 3.675 . 0 0 "[ ]" 3
191 2 18 ARG HA 2 22 ALA H . . 5.000 3.386 3.386 3.386 . 0 0 "[ ]" 3
192 2 18 ARG HA 2 21 ALA MB . . 5.000 2.520 2.520 2.520 . 0 0 "[ ]" 3
193 2 18 ARG QB 2 20 ALA H . . 6.000 4.729 4.729 4.729 . 0 0 "[ ]" 3
194 2 18 ARG QB 2 21 ALA H . . 6.000 5.090 5.090 5.090 . 0 0 "[ ]" 3
195 2 18 ARG QD 2 19 ALA H . . 6.000 4.427 4.427 4.427 . 0 0 "[ ]" 3
196 2 18 ARG QD 2 22 ALA H . . 7.000 3.298 3.298 3.298 . 0 0 "[ ]" 3
197 2 19 ALA H 2 20 ALA H . . 3.000 2.821 2.821 2.821 . 0 0 "[ ]" 3
198 2 19 ALA HA 2 20 ALA H . . 4.000 3.608 3.608 3.608 . 0 0 "[ ]" 3
199 2 19 ALA HA 2 22 ALA H . . 4.000 3.879 3.879 3.879 . 0 0 "[ ]" 3
200 2 19 ALA HA 2 22 ALA MB . . 5.000 2.782 2.782 2.782 . 0 0 "[ ]" 3
201 2 20 ALA H 2 21 ALA H . . 3.000 2.817 2.817 2.817 . 0 0 "[ ]" 3
202 2 20 ALA HA 2 21 ALA H . . 4.000 3.611 3.611 3.611 . 0 0 "[ ]" 3
203 2 20 ALA HA 2 23 ARG H . . 4.000 3.547 3.547 3.547 . 0 0 "[ ]" 3
204 2 20 ALA HA 2 23 ARG QB . . 4.000 2.259 2.259 2.259 . 0 0 "[ ]" 3
205 2 21 ALA HA 2 22 ALA H . . 4.000 3.612 3.612 3.612 . 0 0 "[ ]" 3
206 2 21 ALA HA 2 23 ARG H . . 5.000 4.461 4.461 4.461 . 0 0 "[ ]" 3
207 2 21 ALA H 2 22 ALA H . . 4.000 2.897 2.897 2.897 . 0 0 "[ ]" 3
208 2 22 ALA HA 2 23 ARG H . . 4.000 3.563 3.563 3.563 . 0 0 "[ ]" 3
209 2 22 ALA H 2 23 ARG H . . 3.000 2.604 2.604 2.604 . 0 0 "[ ]" 3
stop_
save_
save_distance_constraint_statistics_4
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 4
_Distance_constraint_stats_list.Constraint_count 36
_Distance_constraint_stats_list.Viol_count 8
_Distance_constraint_stats_list.Viol_total 39.478
_Distance_constraint_stats_list.Viol_max 10.361
_Distance_constraint_stats_list.Viol_rms 2.6530
_Distance_constraint_stats_list.Viol_average_all_restraints 1.0966
_Distance_constraint_stats_list.Viol_average_violations_only 4.9347
_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 4 C 0.000 0.000 . 0 "[ ]"
1 5 U 0.000 0.000 . 0 "[ ]"
1 6 G 0.104 0.068 1 0 "[ ]"
1 7 G 0.000 0.000 . 0 "[ ]"
1 8 G 0.000 0.000 . 0 "[ ]"
1 26 G 10.361 10.361 1 1 [+]
1 27 U 29.013 7.407 1 1 [+]
2 4 GLN 0.000 0.000 . 0 "[ ]"
2 5 ALA 0.104 0.068 1 0 "[ ]"
2 8 ASN 0.000 0.000 . 0 "[ ]"
2 11 ARG 39.374 10.361 1 1 [+]
2 12 ARG 0.000 0.000 . 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 7 G H3' 2 4 GLN H . . 6.000 5.545 5.545 5.545 . 0 0 "[ ]" 4
2 1 7 G H8 2 4 GLN HA . . 6.000 4.617 4.617 4.617 . 0 0 "[ ]" 4
3 1 7 G H8 2 4 GLN QB . . 6.000 1.939 1.939 1.939 . 0 0 "[ ]" 4
4 1 6 G H1' 2 4 GLN QB . . 6.000 4.804 4.804 4.804 . 0 0 "[ ]" 4
5 1 6 G H2' 2 4 GLN QB . . 7.000 4.295 4.295 4.295 . 0 0 "[ ]" 4
6 1 7 G H3' 2 4 GLN QB . . 6.000 3.590 3.590 3.590 . 0 0 "[ ]" 4
7 1 7 G H8 2 4 GLN QG . . 7.000 2.747 2.747 2.747 . 0 0 "[ ]" 4
8 1 7 G H3' 2 4 GLN QG . . 7.000 3.501 3.501 3.501 . 0 0 "[ ]" 4
9 1 7 G H3' 2 4 GLN QE . . 6.000 3.324 3.324 3.324 . 0 0 "[ ]" 4
10 1 8 G H8 2 4 GLN QE . . 6.000 3.634 3.634 3.634 . 0 0 "[ ]" 4
11 1 6 G H2' 2 5 ALA H . . 4.000 4.036 4.036 4.036 0.036 1 0 "[ ]" 4
12 1 6 G H3' 2 5 ALA H . . 4.000 3.611 3.611 3.611 . 0 0 "[ ]" 4
13 1 6 G H8 2 5 ALA HA . . 5.000 4.008 4.008 4.008 . 0 0 "[ ]" 4
14 1 6 G H2' 2 5 ALA HA . . 3.000 1.933 1.933 1.933 . 0 0 "[ ]" 4
15 1 6 G H3' 2 5 ALA HA . . 4.000 3.034 3.034 3.034 . 0 0 "[ ]" 4
16 1 7 G H8 2 5 ALA MB . . 7.000 4.319 4.319 4.319 . 0 0 "[ ]" 4
17 1 6 G H8 2 5 ALA MB . . 6.000 4.543 4.543 4.543 . 0 0 "[ ]" 4
18 1 6 G H2' 2 5 ALA MB . . 5.000 2.751 2.751 2.751 . 0 0 "[ ]" 4
19 1 6 G H3' 2 5 ALA MB . . 4.000 1.732 1.732 1.732 0.068 1 0 "[ ]" 4
20 1 6 G H4' 2 5 ALA MB . . 7.000 4.219 4.219 4.219 . 0 0 "[ ]" 4
21 1 6 G Q5' 2 5 ALA MB . . 8.000 3.110 3.110 3.110 . 0 0 "[ ]" 4
22 1 6 G H8 2 8 ASN QB . . 6.000 3.202 3.202 3.202 . 0 0 "[ ]" 4
23 1 7 G H3' 2 8 ASN QD . . 6.000 5.398 5.398 5.398 . 0 0 "[ ]" 4
24 1 6 G H1' 2 8 ASN QD . . 6.000 3.190 3.190 3.190 . 0 0 "[ ]" 4
25 1 27 U Q5' 2 11 ARG HE . . 6.000 13.407 13.407 13.407 7.407 1 1 [+] 4
26 1 26 G H1' 2 11 ARG QD . . 6.000 16.361 16.361 16.361 10.361 1 1 [+] 4
27 1 27 U H4' 2 11 ARG QD . . 6.000 13.191 13.191 13.191 7.191 1 1 [+] 4
28 1 27 U Q5' 2 11 ARG QD . . 7.000 11.753 11.753 11.753 4.753 1 1 [+] 4
29 1 27 U H4' 2 11 ARG QG . . 7.000 13.046 13.046 13.046 6.046 1 1 [+] 4
30 1 27 U Q5' 2 11 ARG QG . . 8.000 11.615 11.615 11.615 3.615 1 1 [+] 4
31 1 4 C H5 2 12 ARG QG . . 7.000 5.695 5.695 5.695 . 0 0 "[ ]" 4
32 1 5 U H5 2 12 ARG QG . . 7.000 3.548 3.548 3.548 . 0 0 "[ ]" 4
33 1 4 C H5 2 12 ARG QD . . 7.000 4.628 4.628 4.628 . 0 0 "[ ]" 4
34 1 5 U H5 2 12 ARG QD . . 6.000 3.938 3.938 3.938 . 0 0 "[ ]" 4
35 1 4 C H5 2 12 ARG HE . . 6.000 5.713 5.713 5.713 . 0 0 "[ ]" 4
36 1 5 U H5 2 12 ARG HE . . 4.000 2.425 2.425 2.425 . 0 0 "[ ]" 4
stop_
save_
save_distance_constraint_statistics_5
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 5
_Distance_constraint_stats_list.Constraint_count 34
_Distance_constraint_stats_list.Viol_count 3
_Distance_constraint_stats_list.Viol_total 0.074
_Distance_constraint_stats_list.Viol_max 0.041
_Distance_constraint_stats_list.Viol_rms 0.0080
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0022
_Distance_constraint_stats_list.Viol_average_violations_only 0.0248
_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
2 3 ARG 0.000 0.000 . 0 "[ ]"
2 4 GLN 0.041 0.041 1 0 "[ ]"
2 5 ALA 0.000 0.000 . 0 "[ ]"
2 6 ARG 0.015 0.015 1 0 "[ ]"
2 7 ARG 0.000 0.000 . 0 "[ ]"
2 8 ASN 0.041 0.041 1 0 "[ ]"
2 9 ARG 0.000 0.000 . 0 "[ ]"
2 10 ARG 0.015 0.015 1 0 "[ ]"
2 11 ARG 0.000 0.000 . 0 "[ ]"
2 12 ARG 0.000 0.000 . 0 "[ ]"
2 13 TRP 0.000 0.000 . 0 "[ ]"
2 14 ARG 0.000 0.000 . 0 "[ ]"
2 15 GLU 0.000 0.000 . 0 "[ ]"
2 16 ARG 0.000 0.000 . 0 "[ ]"
2 17 GLN 0.000 0.000 . 0 "[ ]"
2 18 ARG 0.000 0.000 . 0 "[ ]"
2 19 ALA 0.018 0.018 1 0 "[ ]"
2 20 ALA 0.000 0.000 . 0 "[ ]"
2 21 ALA 0.000 0.000 . 0 "[ ]"
2 22 ALA 0.000 0.000 . 0 "[ ]"
2 23 ARG 0.018 0.018 1 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 2 19 ALA O 2 23 ARG H . . 2.800 1.537 1.537 1.537 . 0 0 "[ ]" 5
2 2 19 ALA O 2 23 ARG N . 2.400 3.500 2.382 2.382 2.382 0.018 1 0 "[ ]" 5
3 2 18 ARG O 2 22 ALA H . . 2.800 1.601 1.601 1.601 . 0 0 "[ ]" 5
4 2 18 ARG O 2 22 ALA N . 2.400 3.500 2.578 2.578 2.578 . 0 0 "[ ]" 5
5 2 17 GLN O 2 21 ALA H . . 2.800 1.563 1.563 1.563 . 0 0 "[ ]" 5
6 2 17 GLN O 2 21 ALA N . 2.400 3.500 2.556 2.556 2.556 . 0 0 "[ ]" 5
7 2 16 ARG O 2 20 ALA H . . 2.800 2.390 2.390 2.390 . 0 0 "[ ]" 5
8 2 16 ARG O 2 20 ALA N . 2.400 3.500 3.375 3.375 3.375 . 0 0 "[ ]" 5
9 2 15 GLU O 2 19 ALA H . . 2.800 2.277 2.277 2.277 . 0 0 "[ ]" 5
10 2 15 GLU O 2 19 ALA N . 2.400 3.500 3.159 3.159 3.159 . 0 0 "[ ]" 5
11 2 14 ARG O 2 18 ARG H . . 2.800 2.156 2.156 2.156 . 0 0 "[ ]" 5
12 2 14 ARG O 2 18 ARG N . 2.400 3.500 2.875 2.875 2.875 . 0 0 "[ ]" 5
13 2 13 TRP O 2 17 GLN H . . 2.800 1.823 1.823 1.823 . 0 0 "[ ]" 5
14 2 13 TRP O 2 17 GLN N . 2.400 3.500 2.827 2.827 2.827 . 0 0 "[ ]" 5
15 2 12 ARG O 2 16 ARG H . . 2.800 1.532 1.532 1.532 . 0 0 "[ ]" 5
16 2 12 ARG O 2 16 ARG N . 2.400 3.500 2.473 2.473 2.473 . 0 0 "[ ]" 5
17 2 11 ARG O 2 15 GLU H . . 2.800 1.932 1.932 1.932 . 0 0 "[ ]" 5
18 2 11 ARG O 2 15 GLU N . 2.400 3.500 2.886 2.886 2.886 . 0 0 "[ ]" 5
19 2 10 ARG O 2 14 ARG H . . 2.800 1.793 1.793 1.793 . 0 0 "[ ]" 5
20 2 10 ARG O 2 14 ARG N . 2.400 3.500 2.801 2.801 2.801 . 0 0 "[ ]" 5
21 2 9 ARG O 2 13 TRP H . . 2.800 2.115 2.115 2.115 . 0 0 "[ ]" 5
22 2 9 ARG O 2 13 TRP N . 2.400 3.500 3.064 3.064 3.064 . 0 0 "[ ]" 5
23 2 8 ASN O 2 12 ARG H . . 2.800 2.549 2.549 2.549 . 0 0 "[ ]" 5
24 2 8 ASN O 2 12 ARG N . 2.400 3.500 3.385 3.385 3.385 . 0 0 "[ ]" 5
25 2 7 ARG O 2 11 ARG H . . 2.800 1.785 1.785 1.785 . 0 0 "[ ]" 5
26 2 7 ARG O 2 11 ARG N . 2.400 3.500 2.768 2.768 2.768 . 0 0 "[ ]" 5
27 2 6 ARG O 2 10 ARG H . . 2.800 1.485 1.485 1.485 0.015 1 0 "[ ]" 5
28 2 6 ARG O 2 10 ARG N . 2.400 3.500 2.468 2.468 2.468 . 0 0 "[ ]" 5
29 2 5 ALA O 2 9 ARG H . . 2.800 1.655 1.655 1.655 . 0 0 "[ ]" 5
30 2 5 ALA O 2 9 ARG N . 2.400 3.500 2.591 2.591 2.591 . 0 0 "[ ]" 5
31 2 4 GLN O 2 8 ASN H . . 2.800 1.459 1.459 1.459 0.041 1 0 "[ ]" 5
32 2 4 GLN O 2 8 ASN N . 2.400 3.500 2.457 2.457 2.457 . 0 0 "[ ]" 5
33 2 3 ARG O 2 7 ARG H . . 2.800 1.633 1.633 1.633 . 0 0 "[ ]" 5
34 2 3 ARG O 2 7 ARG N . 2.400 3.500 2.609 2.609 2.609 . 0 0 "[ ]" 5
stop_
save_
save_distance_constraint_statistics_6
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 6
_Distance_constraint_stats_list.Constraint_count 39
_Distance_constraint_stats_list.Viol_count 35
_Distance_constraint_stats_list.Viol_total 432.852
_Distance_constraint_stats_list.Viol_max 17.583
_Distance_constraint_stats_list.Viol_rms 5.9946
_Distance_constraint_stats_list.Viol_average_all_restraints 11.0988
_Distance_constraint_stats_list.Viol_average_violations_only 12.3672
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 G 88.625 17.583 1 1 [+]
1 2 G 32.238 16.563 1 1 [+]
1 3 U 15.581 15.581 1 1 [+]
1 4 C 78.893 14.384 1 1 [+]
1 5 U 27.203 13.939 1 1 [+]
1 6 G 74.781 13.666 1 1 [+]
1 7 G 65.602 17.324 1 1 [+]
1 8 G 11.147 11.147 1 1 [+]
1 9 C 11.470 11.470 1 1 [+]
1 10 G 27.192 14.055 1 1 [+]
1 15 G 0.048 0.047 1 0 "[ ]"
1 16 C 0.072 0.059 1 0 "[ ]"
1 17 A 0.072 0.059 1 0 "[ ]"
1 18 A 0.048 0.047 1 0 "[ ]"
1 24 C 27.192 14.055 1 1 [+]
1 25 G 11.470 11.470 1 1 [+]
1 26 G 11.147 11.147 1 1 [+]
1 28 A 65.602 17.324 1 1 [+]
1 29 C 74.781 13.666 1 1 [+]
1 30 A 27.203 13.939 1 1 [+]
1 31 G 78.893 14.384 1 1 [+]
1 32 G 15.581 15.581 1 1 [+]
1 33 C 32.238 16.563 1 1 [+]
1 34 C 88.625 17.583 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 8 G O6 1 26 G N1 . 2.700 3.200 14.347 14.347 14.347 11.147 1 1 [+] 6
2 1 15 G H22 1 18 A N7 . . 2.200 2.247 2.247 2.247 0.047 1 0 "[ ]" 6
3 1 15 G N2 1 18 A N7 . 2.700 3.200 2.875 2.875 2.875 . 0 0 "[ ]" 6
4 1 15 G N3 1 18 A H62 . . 2.200 2.202 2.202 2.202 0.002 1 0 "[ ]" 6
5 1 15 G N3 1 18 A N6 . 2.700 3.200 3.143 3.143 3.143 . 0 0 "[ ]" 6
6 1 15 G HO2' 1 17 A N7 . . 2.200 1.900 1.900 1.900 . 0 0 "[ ]" 6
7 1 15 G O2' 1 17 A N7 . 2.700 3.200 2.837 2.837 2.837 . 0 0 "[ ]" 6
8 1 16 C HO2' 1 17 A O4' . . 2.200 2.213 2.213 2.213 0.013 1 0 "[ ]" 6
9 1 16 C O2' 1 17 A O4' . 2.700 3.200 2.641 2.641 2.641 0.059 1 0 "[ ]" 6
10 1 7 G H1 1 28 A N1 . . 2.200 19.524 19.524 19.524 17.324 1 1 [+] 6
11 1 7 G N1 1 28 A N1 . 2.700 3.200 19.791 19.791 19.791 16.591 1 1 [+] 6
12 1 7 G O6 1 28 A Q6 . . 2.200 17.695 17.695 17.695 15.495 1 1 [+] 6
13 1 7 G O6 1 28 A N6 . 2.700 3.200 19.393 19.393 19.393 16.193 1 1 [+] 6
14 1 3 U O2 1 32 G N1 . 2.700 3.200 18.781 18.781 18.781 15.581 1 1 [+] 6
15 1 1 G O6 1 34 C Q4 . . 2.200 13.813 13.813 13.813 11.613 1 1 [+] 6
16 1 1 G O6 1 34 C N4 . 2.700 3.200 15.710 15.710 15.710 12.510 1 1 [+] 6
17 1 1 G H1 1 34 C N3 . . 2.200 17.877 17.877 17.877 15.677 1 1 [+] 6
18 1 1 G N1 1 34 C N3 . 2.700 3.200 17.959 17.959 17.959 14.759 1 1 [+] 6
19 1 1 G Q2 1 34 C O2 . . 2.200 18.685 18.685 18.685 16.485 1 1 [+] 6
20 1 1 G N2 1 34 C O2 . 2.700 3.200 20.783 20.783 20.783 17.583 1 1 [+] 6
21 1 2 G H1 1 33 C N3 . . 2.200 18.763 18.763 18.763 16.563 1 1 [+] 6
22 1 2 G N1 1 33 C N3 . 2.700 3.200 18.875 18.875 18.875 15.675 1 1 [+] 6
23 1 4 C Q4 1 31 G O6 . . 2.200 15.165 15.165 15.165 12.965 1 1 [+] 6
24 1 4 C N4 1 31 G O6 . 2.700 3.200 17.272 17.272 17.272 14.072 1 1 [+] 6
25 1 4 C N3 1 31 G H1 . . 2.200 16.584 16.584 16.584 14.384 1 1 [+] 6
26 1 4 C N3 1 31 G N1 . 2.700 3.200 16.451 16.451 16.451 13.251 1 1 [+] 6
27 1 4 C O2 1 31 G Q2 . . 2.200 13.824 13.824 13.824 11.624 1 1 [+] 6
28 1 4 C O2 1 31 G N2 . 2.700 3.200 15.799 15.799 15.799 12.599 1 1 [+] 6
29 1 5 U H3 1 30 A N1 . . 2.200 16.139 16.139 16.139 13.939 1 1 [+] 6
30 1 5 U N3 1 30 A N1 . 2.700 3.200 16.463 16.463 16.463 13.263 1 1 [+] 6
31 1 6 G O6 1 29 C Q4 . . 2.200 13.204 13.204 13.204 11.004 1 1 [+] 6
32 1 6 G O6 1 29 C N4 . 2.700 3.200 14.905 14.905 14.905 11.705 1 1 [+] 6
33 1 6 G H1 1 29 C N3 . . 2.200 15.470 15.470 15.470 13.270 1 1 [+] 6
34 1 6 G N1 1 29 C N3 . 2.700 3.200 15.465 15.465 15.465 12.265 1 1 [+] 6
35 1 6 G Q2 1 29 C O2 . . 2.200 15.071 15.071 15.071 12.871 1 1 [+] 6
36 1 6 G N2 1 29 C O2 . 2.700 3.200 16.866 16.866 16.866 13.666 1 1 [+] 6
37 1 9 C N3 1 25 G N1 . 2.700 3.200 14.670 14.670 14.670 11.470 1 1 [+] 6
38 1 10 G H1 1 24 C N3 . . 2.200 16.255 16.255 16.255 14.055 1 1 [+] 6
39 1 10 G N1 1 24 C N3 . 2.700 3.200 16.337 16.337 16.337 13.137 1 1 [+] 6
stop_
save_
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