NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
387364 |
1ma6   |
5486 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1ma6
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 116
_Distance_constraint_stats_list.Viol_count 241
_Distance_constraint_stats_list.Viol_total 953.611
_Distance_constraint_stats_list.Viol_max 1.588
_Distance_constraint_stats_list.Viol_rms 0.0556
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0086
_Distance_constraint_stats_list.Viol_average_violations_only 0.1276
_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 LYS 0.375 0.190 4 0 "[ . 1 . 2 . 3 ]"
1 2 TRP 15.449 1.588 9 3 "[ . +1- . *2 . 3 ]"
1 3 TYR 8.713 1.296 9 4 "[ . +1- . * *2 . 3 ]"
1 4 PHE 1.702 0.813 17 1 "[ . 1 . + 2 . 3 ]"
1 5 ARG 3.686 0.602 2 2 "[ + . 1 - 2 . 3 ]"
1 6 VAL 2.843 0.602 2 2 "[ + . 1 - 2 . 3 ]"
1 7 TYR 1.014 0.159 27 0 "[ . 1 . 2 . 3 ]"
1 8 TYR 2.024 0.369 10 0 "[ . 1 . 2 . 3 ]"
1 9 ARG 2.241 0.369 10 0 "[ . 1 . 2 . 3 ]"
1 10 GLY 1.063 0.294 29 0 "[ . 1 . 2 . 3 ]"
1 11 ILE 9.431 1.588 9 2 "[ . +1 . 2- . 3 ]"
1 12 TYR 0.882 0.400 13 0 "[ . 1 . 2 . 3 ]"
1 13 TYR 2.155 0.249 16 0 "[ . 1 . 2 . 3 ]"
1 14 ARG 1.766 0.263 6 0 "[ . 1 . 2 . 3 ]"
1 15 ARG 0.681 0.400 13 0 "[ . 1 . 2 . 3 ]"
1 16 TYR 0.000 0.000 . 0 "[ . 1 . 2 . 3 ]"
1 17 ARG 1.003 0.872 12 1 "[ . 1 + . 2 . 3 ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 LYS QB 1 1 LYS QZ 5.000 . 5.000 3.408 1.956 4.103 . 0 0 "[ . 1 . 2 . 3 ]" 1
2 1 1 LYS QB 1 2 TRP H 5.000 . 5.000 3.239 1.610 4.075 0.190 4 0 "[ . 1 . 2 . 3 ]" 1
3 1 2 TRP H 1 2 TRP HD1 5.000 . 5.000 4.486 1.912 5.441 0.441 18 0 "[ . 1 . 2 . 3 ]" 1
4 1 2 TRP H 1 3 TYR H 3.400 . 3.400 3.398 2.187 4.696 1.296 9 2 "[ . +1- . 2 . 3 ]" 1
5 1 2 TRP H 1 9 ARG HA 5.000 . 5.000 4.620 2.451 5.143 0.143 24 0 "[ . 1 . 2 . 3 ]" 1
6 1 2 TRP H 1 11 ILE HB 5.000 . 5.000 4.892 3.230 6.588 1.588 9 1 "[ . +1 . 2 . 3 ]" 1
7 1 2 TRP H 1 11 ILE MD 5.000 . 5.000 2.791 1.608 4.193 0.192 12 0 "[ . 1 . 2 . 3 ]" 1
8 1 2 TRP HA 1 3 TYR H 5.000 . 5.000 3.271 1.897 3.634 . 0 0 "[ . 1 . 2 . 3 ]" 1
9 1 2 TRP HA 1 11 ILE MD 5.000 . 5.000 4.095 3.072 4.548 . 0 0 "[ . 1 . 2 . 3 ]" 1
10 1 2 TRP HD1 1 14 ARG H 5.000 . 5.000 4.830 3.323 5.263 0.263 6 0 "[ . 1 . 2 . 3 ]" 1
11 1 2 TRP HE1 1 4 PHE QE 5.000 . 5.000 4.531 4.204 4.706 . 0 0 "[ . 1 . 2 . 3 ]" 1
12 1 2 TRP HE1 1 11 ILE QG 5.000 . 5.000 4.232 3.058 4.635 . 0 0 "[ . 1 . 2 . 3 ]" 1
13 1 2 TRP HE3 1 3 TYR HA 5.000 . 5.000 4.206 3.424 5.656 0.656 19 1 "[ . 1 . +2 . 3 ]" 1
14 1 2 TRP HZ3 1 3 TYR H 5.000 . 5.000 4.521 3.408 5.342 0.342 11 0 "[ . 1 . 2 . 3 ]" 1
15 1 3 TYR H 1 3 TYR QB 3.400 . 3.400 3.096 2.614 3.332 . 0 0 "[ . 1 . 2 . 3 ]" 1
16 1 3 TYR HA 1 4 PHE H 5.000 . 5.000 3.262 2.503 3.558 . 0 0 "[ . 1 . 2 . 3 ]" 1
17 1 3 TYR HA 1 6 VAL HB 5.000 . 5.000 4.040 2.206 5.141 0.141 7 0 "[ . 1 . 2 . 3 ]" 1
18 1 3 TYR HA 1 6 VAL MG1 5.000 . 5.000 4.058 2.317 4.912 . 0 0 "[ . 1 . 2 . 3 ]" 1
19 1 3 TYR QD 1 4 PHE QB 5.000 . 5.000 3.749 2.710 4.089 . 0 0 "[ . 1 . 2 . 3 ]" 1
20 1 3 TYR QD 1 5 ARG QG 5.000 . 5.000 3.884 2.771 4.130 . 0 0 "[ . 1 . 2 . 3 ]" 1
21 1 3 TYR QE 1 4 PHE H 5.000 . 5.000 4.232 3.322 5.813 0.813 17 1 "[ . 1 . + 2 . 3 ]" 1
22 1 3 TYR QE 1 4 PHE QD 5.000 . 5.000 3.168 2.528 4.068 . 0 0 "[ . 1 . 2 . 3 ]" 1
23 1 3 TYR QE 1 4 PHE QE 5.000 . 5.000 2.286 1.509 4.086 0.291 18 0 "[ . 1 . 2 . 3 ]" 1
24 1 3 TYR QE 1 11 ILE MD 5.000 . 5.000 3.832 3.620 4.035 . 0 0 "[ . 1 . 2 . 3 ]" 1
25 1 4 PHE H 1 4 PHE QD 3.400 . 3.400 2.325 1.581 3.092 0.219 4 0 "[ . 1 . 2 . 3 ]" 1
26 1 4 PHE HA 1 5 ARG H 5.000 . 5.000 3.119 2.198 3.629 . 0 0 "[ . 1 . 2 . 3 ]" 1
27 1 4 PHE HA 1 5 ARG HA 5.000 . 5.000 4.447 4.129 4.711 . 0 0 "[ . 1 . 2 . 3 ]" 1
28 1 4 PHE QB 1 5 ARG HA 5.000 . 5.000 4.424 3.716 4.833 . 0 0 "[ . 1 . 2 . 3 ]" 1
29 1 4 PHE QD 1 5 ARG H 5.000 . 5.000 3.260 1.851 4.986 . 0 0 "[ . 1 . 2 . 3 ]" 1
30 1 4 PHE QD 1 5 ARG QG 5.000 . 5.000 2.745 1.893 3.993 . 0 0 "[ . 1 . 2 . 3 ]" 1
31 1 5 ARG H 1 5 ARG QD 5.000 . 5.000 3.932 2.208 4.754 . 0 0 "[ . 1 . 2 . 3 ]" 1
32 1 5 ARG H 1 5 ARG QG 3.400 . 3.400 2.404 1.580 3.309 0.220 16 0 "[ . 1 . 2 . 3 ]" 1
33 1 5 ARG H 1 6 VAL H 3.400 . 3.400 2.436 1.895 3.268 . 0 0 "[ . 1 . 2 . 3 ]" 1
34 1 5 ARG H 1 6 VAL HB 5.000 . 5.000 4.577 3.893 5.171 0.171 7 0 "[ . 1 . 2 . 3 ]" 1
35 1 5 ARG H 1 6 VAL MG1 5.000 . 5.000 3.082 2.003 3.917 . 0 0 "[ . 1 . 2 . 3 ]" 1
36 1 5 ARG HA 1 5 ARG HE 5.000 . 5.000 3.144 1.535 5.105 0.265 25 0 "[ . 1 . 2 . 3 ]" 1
37 1 5 ARG HA 1 6 VAL H 5.000 . 5.000 3.470 2.806 3.570 . 0 0 "[ . 1 . 2 . 3 ]" 1
38 1 5 ARG HA 1 7 TYR QD 5.000 . 5.000 4.086 2.440 4.645 . 0 0 "[ . 1 . 2 . 3 ]" 1
39 1 5 ARG QB 1 5 ARG HE 5.000 . 5.000 3.054 1.904 3.937 . 0 0 "[ . 1 . 2 . 3 ]" 1
40 1 5 ARG QB 1 6 VAL H 3.400 . 3.400 2.792 1.865 4.002 0.602 2 2 "[ + . 1 - 2 . 3 ]" 1
41 1 5 ARG QB 1 6 VAL HA 5.000 . 5.000 4.235 3.709 4.685 . 0 0 "[ . 1 . 2 . 3 ]" 1
42 1 5 ARG HE 1 6 VAL MG1 5.000 . 5.000 4.249 3.952 4.410 . 0 0 "[ . 1 . 2 . 3 ]" 1
43 1 6 VAL H 1 6 VAL HB 3.400 . 3.400 3.083 2.531 3.494 0.094 28 0 "[ . 1 . 2 . 3 ]" 1
44 1 6 VAL HA 1 7 TYR H 5.000 . 5.000 2.639 2.084 3.581 . 0 0 "[ . 1 . 2 . 3 ]" 1
45 1 6 VAL MG1 1 7 TYR H 5.000 . 5.000 3.903 2.413 4.342 . 0 0 "[ . 1 . 2 . 3 ]" 1
46 1 6 VAL MG2 1 7 TYR H 5.000 . 5.000 3.638 2.058 4.071 . 0 0 "[ . 1 . 2 . 3 ]" 1
47 1 6 VAL MG2 1 7 TYR HA 5.000 . 5.000 3.662 2.830 4.062 . 0 0 "[ . 1 . 2 . 3 ]" 1
48 1 6 VAL MG2 1 8 TYR H 5.000 . 5.000 4.073 1.724 5.280 0.280 14 0 "[ . 1 . 2 . 3 ]" 1
49 1 7 TYR H 1 7 TYR QB 3.400 . 3.400 2.964 2.263 3.195 . 0 0 "[ . 1 . 2 . 3 ]" 1
50 1 7 TYR H 1 7 TYR QD 5.000 . 5.000 2.083 1.641 3.107 0.159 27 0 "[ . 1 . 2 . 3 ]" 1
51 1 7 TYR H 1 7 TYR QE 5.000 . 5.000 4.027 3.673 4.575 . 0 0 "[ . 1 . 2 . 3 ]" 1
52 1 7 TYR H 1 8 TYR H 2.800 . 2.800 2.103 1.711 2.939 0.139 28 0 "[ . 1 . 2 . 3 ]" 1
53 1 7 TYR HA 1 8 TYR H 5.000 . 5.000 3.199 2.837 3.553 . 0 0 "[ . 1 . 2 . 3 ]" 1
54 1 7 TYR QE 1 11 ILE MD 5.000 . 5.000 3.744 2.927 3.929 . 0 0 "[ . 1 . 2 . 3 ]" 1
55 1 8 TYR H 1 8 TYR QB 2.800 . 2.800 2.575 2.314 2.810 0.010 6 0 "[ . 1 . 2 . 3 ]" 1
56 1 8 TYR H 1 8 TYR QD 5.000 . 5.000 4.018 1.804 4.417 . 0 0 "[ . 1 . 2 . 3 ]" 1
57 1 8 TYR HA 1 8 TYR QD 3.400 . 3.400 2.847 2.403 3.444 0.044 16 0 "[ . 1 . 2 . 3 ]" 1
58 1 8 TYR HA 1 9 ARG H 5.000 . 5.000 3.012 2.179 3.578 . 0 0 "[ . 1 . 2 . 3 ]" 1
59 1 8 TYR QD 1 9 ARG H 5.000 . 5.000 2.445 1.666 3.032 0.134 21 0 "[ . 1 . 2 . 3 ]" 1
60 1 8 TYR QD 1 9 ARG HA 5.000 . 5.000 3.891 3.032 4.545 . 0 0 "[ . 1 . 2 . 3 ]" 1
61 1 8 TYR QD 1 9 ARG QG 5.000 . 5.000 3.522 1.795 4.396 0.005 13 0 "[ . 1 . 2 . 3 ]" 1
62 1 8 TYR QD 1 10 GLY QA 5.000 . 5.000 3.981 3.290 4.415 . 0 0 "[ . 1 . 2 . 3 ]" 1
63 1 8 TYR QD 1 11 ILE HB 5.000 . 5.000 4.479 3.533 4.723 . 0 0 "[ . 1 . 2 . 3 ]" 1
64 1 8 TYR QE 1 9 ARG HA 5.000 . 5.000 4.599 3.101 5.369 0.369 10 0 "[ . 1 . 2 . 3 ]" 1
65 1 8 TYR QE 1 9 ARG QG 5.000 . 5.000 3.628 2.166 5.173 0.173 25 0 "[ . 1 . 2 . 3 ]" 1
66 1 8 TYR QE 1 10 GLY QA 5.000 . 5.000 2.891 1.829 3.995 . 0 0 "[ . 1 . 2 . 3 ]" 1
67 1 8 TYR QE 1 11 ILE HB 5.000 . 5.000 4.205 2.957 4.564 . 0 0 "[ . 1 . 2 . 3 ]" 1
68 1 8 TYR QE 1 11 ILE MD 5.000 . 5.000 3.694 1.632 4.705 0.168 30 0 "[ . 1 . 2 . 3 ]" 1
69 1 9 ARG H 1 9 ARG QD 5.000 . 5.000 4.051 2.012 4.593 . 0 0 "[ . 1 . 2 . 3 ]" 1
70 1 9 ARG HA 1 10 GLY H 5.000 . 5.000 2.800 2.042 3.565 . 0 0 "[ . 1 . 2 . 3 ]" 1
71 1 9 ARG QB 1 9 ARG HE 5.000 . 5.000 3.356 1.972 4.305 . 0 0 "[ . 1 . 2 . 3 ]" 1
72 1 9 ARG HE 1 9 ARG QG 3.400 . 3.400 2.618 2.059 3.377 . 0 0 "[ . 1 . 2 . 3 ]" 1
73 1 10 GLY H 1 11 ILE H 3.400 . 3.400 2.967 1.748 3.694 0.294 29 0 "[ . 1 . 2 . 3 ]" 1
74 1 10 GLY QA 1 11 ILE H 5.000 . 5.000 2.554 2.086 2.998 . 0 0 "[ . 1 . 2 . 3 ]" 1
75 1 11 ILE H 1 11 ILE HB 3.400 . 3.400 2.849 2.114 3.735 0.335 15 0 "[ . 1 . 2 . 3 ]" 1
76 1 11 ILE H 1 11 ILE MD 5.000 . 5.000 3.030 1.793 4.146 0.007 7 0 "[ . 1 . 2 . 3 ]" 1
77 1 11 ILE H 1 11 ILE QG 3.400 . 3.400 2.427 1.683 4.016 0.616 21 1 "[ . 1 . 2+ . 3 ]" 1
78 1 11 ILE HA 1 12 TYR H 5.000 . 5.000 3.329 2.143 3.579 . 0 0 "[ . 1 . 2 . 3 ]" 1
79 1 11 ILE HB 1 13 TYR HA 5.000 . 5.000 4.976 3.571 5.249 0.249 16 0 "[ . 1 . 2 . 3 ]" 1
80 1 11 ILE HB 1 13 TYR QD 5.000 . 5.000 2.905 1.770 4.387 0.030 20 0 "[ . 1 . 2 . 3 ]" 1
81 1 11 ILE MD 1 12 TYR H 5.000 . 5.000 3.964 3.051 4.277 . 0 0 "[ . 1 . 2 . 3 ]" 1
82 1 11 ILE MD 1 13 TYR QD 5.000 . 5.000 3.676 3.047 4.259 . 0 0 "[ . 1 . 2 . 3 ]" 1
83 1 11 ILE MG 1 12 TYR H 5.000 . 5.000 2.992 1.628 4.181 0.172 31 0 "[ . 1 . 2 . 3 ]" 1
84 1 11 ILE MG 1 13 TYR HA 5.000 . 5.000 3.543 2.514 4.210 . 0 0 "[ . 1 . 2 . 3 ]" 1
85 1 12 TYR H 1 12 TYR QB 3.400 . 3.400 2.881 2.055 3.233 . 0 0 "[ . 1 . 2 . 3 ]" 1
86 1 12 TYR H 1 15 ARG QG 5.000 . 5.000 4.206 3.338 5.400 0.400 13 0 "[ . 1 . 2 . 3 ]" 1
87 1 12 TYR HA 1 12 TYR QD 3.400 . 3.400 2.511 1.857 3.410 0.010 18 0 "[ . 1 . 2 . 3 ]" 1
88 1 12 TYR HA 1 13 TYR H 5.000 . 5.000 3.000 2.403 3.552 . 0 0 "[ . 1 . 2 . 3 ]" 1
89 1 12 TYR HA 1 15 ARG QB 5.000 . 5.000 3.009 1.744 4.925 0.056 20 0 "[ . 1 . 2 . 3 ]" 1
90 1 12 TYR QD 1 15 ARG QB 5.000 . 5.000 2.791 1.826 3.972 . 0 0 "[ . 1 . 2 . 3 ]" 1
91 1 12 TYR QD 1 16 TYR HA 5.000 . 5.000 3.818 2.229 4.573 . 0 0 "[ . 1 . 2 . 3 ]" 1
92 1 12 TYR QE 1 15 ARG QB 5.000 . 5.000 3.120 2.035 4.029 . 0 0 "[ . 1 . 2 . 3 ]" 1
93 1 12 TYR QE 1 15 ARG QG 5.000 . 5.000 3.665 2.513 4.779 . 0 0 "[ . 1 . 2 . 3 ]" 1
94 1 12 TYR QE 1 16 TYR HA 5.000 . 5.000 3.308 1.934 4.523 . 0 0 "[ . 1 . 2 . 3 ]" 1
95 1 13 TYR HA 1 14 ARG H 5.000 . 5.000 3.504 2.869 3.622 . 0 0 "[ . 1 . 2 . 3 ]" 1
96 1 13 TYR QD 1 14 ARG HA 5.000 . 5.000 3.895 2.888 4.486 . 0 0 "[ . 1 . 2 . 3 ]" 1
97 1 13 TYR QE 1 14 ARG QB 5.000 . 5.000 2.977 2.332 4.171 . 0 0 "[ . 1 . 2 . 3 ]" 1
98 1 13 TYR QE 1 14 ARG QG 5.000 . 5.000 3.126 1.830 4.278 . 0 0 "[ . 1 . 2 . 3 ]" 1
99 1 14 ARG H 1 14 ARG QB 3.400 . 3.400 2.462 2.022 3.053 . 0 0 "[ . 1 . 2 . 3 ]" 1
100 1 14 ARG H 1 14 ARG QD 5.000 . 5.000 4.249 3.555 4.478 . 0 0 "[ . 1 . 2 . 3 ]" 1
101 1 14 ARG H 1 14 ARG QG 5.000 . 5.000 3.297 1.890 4.189 . 0 0 "[ . 1 . 2 . 3 ]" 1
102 1 14 ARG H 1 15 ARG H 2.800 . 2.800 2.512 1.790 2.833 0.033 16 0 "[ . 1 . 2 . 3 ]" 1
103 1 14 ARG HA 1 15 ARG H 5.000 . 5.000 3.321 2.668 3.576 . 0 0 "[ . 1 . 2 . 3 ]" 1
104 1 14 ARG HA 1 16 TYR QB 5.000 . 5.000 4.323 3.640 4.481 . 0 0 "[ . 1 . 2 . 3 ]" 1
105 1 14 ARG QB 1 14 ARG HE 5.000 . 5.000 3.356 1.825 4.418 . 0 0 "[ . 1 . 2 . 3 ]" 1
106 1 14 ARG QB 1 15 ARG H 5.000 . 5.000 3.063 1.751 4.079 0.049 13 0 "[ . 1 . 2 . 3 ]" 1
107 1 15 ARG H 1 15 ARG QB 3.400 . 3.400 2.594 2.041 3.148 . 0 0 "[ . 1 . 2 . 3 ]" 1
108 1 15 ARG H 1 15 ARG QD 5.000 . 5.000 3.528 1.888 4.668 . 0 0 "[ . 1 . 2 . 3 ]" 1
109 1 15 ARG H 1 15 ARG QG 5.000 . 5.000 2.665 1.848 4.110 . 0 0 "[ . 1 . 2 . 3 ]" 1
110 1 15 ARG H 1 16 TYR H 5.000 . 5.000 3.081 2.181 4.511 . 0 0 "[ . 1 . 2 . 3 ]" 1
111 1 15 ARG HA 1 16 TYR H 5.000 . 5.000 3.276 2.153 3.571 . 0 0 "[ . 1 . 2 . 3 ]" 1
112 1 15 ARG QB 1 15 ARG HE 5.000 . 5.000 3.410 2.089 4.454 . 0 0 "[ . 1 . 2 . 3 ]" 1
113 1 15 ARG QB 1 16 TYR HA 5.000 . 5.000 4.067 3.545 4.593 . 0 0 "[ . 1 . 2 . 3 ]" 1
114 1 16 TYR H 1 16 TYR QD 5.000 . 5.000 3.354 1.927 4.397 . 0 0 "[ . 1 . 2 . 3 ]" 1
115 1 17 ARG H 1 17 ARG QD 3.400 . 3.400 2.650 1.884 4.272 0.872 12 1 "[ . 1 + . 2 . 3 ]" 1
116 1 17 ARG H 1 17 ARG QG 5.000 . 5.000 2.804 1.669 4.038 0.131 30 0 "[ . 1 . 2 . 3 ]" 1
stop_
save_
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