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 |
|
|
530382 |
2l8s   |
17424 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2l8s
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 123
_Distance_constraint_stats_list.Viol_count 139
_Distance_constraint_stats_list.Viol_total 206.219
_Distance_constraint_stats_list.Viol_max 0.726
_Distance_constraint_stats_list.Viol_rms 0.0658
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0168
_Distance_constraint_stats_list.Viol_average_violations_only 0.1484
_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 9 LEU 0.000 0.000 . 0 "[ . 1]"
1 10 TRP 0.054 0.054 7 0 "[ . 1]"
1 11 VAL 0.195 0.083 4 0 "[ . 1]"
1 12 ILE 0.023 0.023 1 0 "[ . 1]"
1 13 LEU 3.326 0.406 6 0 "[ . 1]"
1 14 LEU 0.710 0.147 10 0 "[ . 1]"
1 15 SER 6.595 0.410 10 0 "[ . 1]"
1 16 ALA 0.710 0.147 10 0 "[ . 1]"
1 17 PHE 3.582 0.410 10 0 "[ . 1]"
1 18 ALA 0.889 0.197 2 0 "[ . 1]"
1 19 GLY 0.000 0.000 . 0 "[ . 1]"
1 20 LEU 0.986 0.167 5 0 "[ . 1]"
1 21 LEU 3.007 0.726 1 2 "[+ . -]"
1 22 LEU 0.121 0.058 2 0 "[ . 1]"
1 23 LEU 3.038 0.726 1 2 "[+ . -]"
1 24 MET 0.111 0.058 2 0 "[ . 1]"
1 25 LEU 0.757 0.169 10 0 "[ . 1]"
1 26 LEU 0.000 0.000 3 0 "[ . 1]"
1 27 ILE 1.042 0.240 1 0 "[ . 1]"
1 28 LEU 0.054 0.049 4 0 "[ . 1]"
1 29 ALA 0.496 0.128 3 0 "[ . 1]"
1 30 LEU 0.811 0.240 1 0 "[ . 1]"
1 31 TRP 0.803 0.226 4 0 "[ . 1]"
1 32 LYS 1.185 0.355 10 0 "[ . 1]"
1 33 ILE 0.946 0.226 4 0 "[ . 1]"
1 34 GLY 0.533 0.171 2 0 "[ . 1]"
1 35 PHE 0.850 0.188 9 0 "[ . 1]"
1 36 PHE 4.914 0.669 6 2 "[ .+- 1]"
1 37 LYS 0.882 0.188 9 0 "[ . 1]"
1 38 ARG 0.851 0.299 7 0 "[ . 1]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 9 LEU H 1 10 TRP H 2.500 . 3.500 2.698 2.440 2.912 . 0 0 "[ . 1]" 1
2 1 9 LEU HA 1 10 TRP H 3.500 . 4.500 3.489 3.443 3.535 . 0 0 "[ . 1]" 1
3 1 9 LEU HA 1 11 VAL H 3.500 . 4.500 4.080 3.820 4.333 . 0 0 "[ . 1]" 1
4 1 10 TRP H 1 11 VAL H . . 3.500 2.732 2.626 2.805 . 0 0 "[ . 1]" 1
5 1 10 TRP H 1 12 ILE H 3.500 . 4.500 4.283 4.153 4.436 . 0 0 "[ . 1]" 1
6 1 10 TRP H 1 13 LEU H 4.500 . 5.500 5.148 4.826 5.554 0.054 7 0 "[ . 1]" 1
7 1 10 TRP HA 1 11 VAL H 3.500 . 4.500 3.519 3.469 3.541 . 0 0 "[ . 1]" 1
8 1 10 TRP HA 1 12 ILE H 3.500 . 4.500 4.111 3.840 4.284 . 0 0 "[ . 1]" 1
9 1 11 VAL H 1 11 VAL HB 3.500 . 4.500 2.446 2.183 3.627 . 0 0 "[ . 1]" 1
10 1 11 VAL H 1 11 VAL QG 3.500 . 4.500 2.422 1.854 2.745 . 0 0 "[ . 1]" 1
11 1 11 VAL H 1 12 ILE H 2.500 . 3.500 2.775 2.635 2.903 . 0 0 "[ . 1]" 1
12 1 11 VAL H 1 13 LEU H 3.500 . 4.500 4.345 4.071 4.583 0.083 4 0 "[ . 1]" 1
13 1 11 VAL HA 1 12 ILE H 3.500 . 4.500 3.525 3.501 3.545 . 0 0 "[ . 1]" 1
14 1 11 VAL HA 1 13 LEU H 3.500 . 4.500 4.385 4.064 4.562 0.062 10 0 "[ . 1]" 1
15 1 11 VAL HB 1 12 ILE H 3.500 . 4.500 3.224 2.625 3.801 . 0 0 "[ . 1]" 1
16 1 11 VAL QG 1 12 ILE H 3.500 . 4.500 2.519 1.777 3.259 0.023 1 0 "[ . 1]" 1
17 1 12 ILE H 1 13 LEU H 2.500 . 3.500 2.697 2.531 2.842 . 0 0 "[ . 1]" 1
18 1 12 ILE HA 1 13 LEU H 4.500 . 5.500 3.535 3.506 3.559 . 0 0 "[ . 1]" 1
19 1 12 ILE HB 1 13 LEU H 3.500 . 4.500 2.621 2.442 2.890 . 0 0 "[ . 1]" 1
20 1 13 LEU H 1 14 LEU H 2.500 . 3.500 2.770 2.616 2.863 . 0 0 "[ . 1]" 1
21 1 13 LEU H 1 15 SER H 2.500 . 3.500 3.810 3.716 3.906 0.406 6 0 "[ . 1]" 1
22 1 14 LEU H 1 15 SER H 2.500 . 3.500 2.597 2.390 2.801 . 0 0 "[ . 1]" 1
23 1 14 LEU H 1 16 ALA H 3.500 . 4.500 4.517 4.282 4.647 0.147 10 0 "[ . 1]" 1
24 1 15 SER H 1 16 ALA H 2.500 . 3.500 2.780 2.566 2.945 . 0 0 "[ . 1]" 1
25 1 15 SER H 1 17 PHE H 2.500 . 3.500 3.781 3.576 3.910 0.410 10 0 "[ . 1]" 1
26 1 15 SER H 1 18 ALA H 3.500 . 4.500 4.542 4.387 4.697 0.197 2 0 "[ . 1]" 1
27 1 16 ALA H 1 17 PHE H 2.500 . 3.500 2.720 2.497 3.017 . 0 0 "[ . 1]" 1
28 1 16 ALA H 1 18 ALA H 3.500 . 4.500 4.301 4.080 4.443 . 0 0 "[ . 1]" 1
29 1 16 ALA HA 1 17 PHE H 3.500 . 4.500 3.524 3.498 3.590 . 0 0 "[ . 1]" 1
30 1 16 ALA MB 1 17 PHE H 3.500 . 4.500 2.683 2.319 2.805 . 0 0 "[ . 1]" 1
31 1 17 PHE H 1 18 ALA H 2.500 . 3.500 2.585 2.438 2.764 . 0 0 "[ . 1]" 1
32 1 17 PHE H 1 19 GLY H 3.500 . 4.500 3.960 3.628 4.306 . 0 0 "[ . 1]" 1
33 1 17 PHE H 1 20 LEU H 3.500 . 4.500 4.578 4.521 4.667 0.167 5 0 "[ . 1]" 1
34 1 18 ALA H 1 19 GLY H 2.500 . 3.500 2.547 2.330 2.769 . 0 0 "[ . 1]" 1
35 1 18 ALA HA 1 19 GLY H 3.500 . 4.500 3.512 3.427 3.580 . 0 0 "[ . 1]" 1
36 1 18 ALA HA 1 20 LEU H 3.500 2.800 4.500 4.411 4.190 4.574 0.074 5 0 "[ . 1]" 1
37 1 18 ALA MB 1 19 GLY H 3.500 . 4.500 2.502 2.219 2.788 . 0 0 "[ . 1]" 1
38 1 19 GLY H 1 20 LEU H 2.500 . 3.500 2.632 2.426 2.860 . 0 0 "[ . 1]" 1
39 1 19 GLY H 1 21 LEU H 3.500 . 4.500 4.082 3.901 4.479 . 0 0 "[ . 1]" 1
40 1 19 GLY HA2 1 20 LEU H 3.500 . 4.500 3.539 3.513 3.570 . 0 0 "[ . 1]" 1
41 1 19 GLY HA3 1 20 LEU H 3.500 . 4.500 2.825 2.698 2.948 . 0 0 "[ . 1]" 1
42 1 20 LEU H 1 21 LEU H 2.500 . 3.500 2.649 2.524 2.835 . 0 0 "[ . 1]" 1
43 1 20 LEU H 1 22 LEU H 3.500 . 4.500 4.292 4.125 4.510 0.010 1 0 "[ . 1]" 1
44 1 20 LEU HA 1 21 LEU H 3.500 . 4.500 3.493 3.403 3.549 . 0 0 "[ . 1]" 1
45 1 21 LEU H 1 22 LEU H 2.500 . 3.500 2.617 2.481 2.867 . 0 0 "[ . 1]" 1
46 1 21 LEU H 1 23 LEU H 2.500 . 3.500 3.801 3.642 4.226 0.726 1 2 "[+ . -]" 1
47 1 22 LEU H 1 23 LEU H 2.500 . 3.500 2.489 2.309 2.564 . 0 0 "[ . 1]" 1
48 1 22 LEU H 1 24 MET H 3.500 . 4.500 4.336 3.870 4.558 0.058 2 0 "[ . 1]" 1
49 1 23 LEU H 1 24 MET H 2.500 . 3.500 2.781 2.554 3.046 . 0 0 "[ . 1]" 1
50 1 23 LEU H 1 25 LEU H 3.500 . 4.500 4.352 4.141 4.515 0.015 6 0 "[ . 1]" 1
51 1 24 MET H 1 25 LEU H 2.500 . 3.500 2.956 2.491 3.201 . 0 0 "[ . 1]" 1
52 1 24 MET H 1 26 LEU H 3.500 . 4.500 4.195 3.917 4.500 0.000 3 0 "[ . 1]" 1
53 1 24 MET HA 1 25 LEU H 3.500 . 4.500 3.580 3.518 3.641 . 0 0 "[ . 1]" 1
54 1 25 LEU H 1 26 LEU H 2.500 . 3.500 2.749 2.547 3.048 . 0 0 "[ . 1]" 1
55 1 25 LEU H 1 27 ILE H 3.500 . 4.500 4.340 3.858 4.669 0.169 10 0 "[ . 1]" 1
56 1 25 LEU H 1 29 ALA H 4.500 . 5.500 5.530 5.394 5.628 0.128 3 0 "[ . 1]" 1
57 1 26 LEU H 1 27 ILE H 2.500 . 3.500 2.754 2.617 2.894 . 0 0 "[ . 1]" 1
58 1 27 ILE H 1 28 LEU H 2.500 . 3.500 2.527 2.322 2.766 . 0 0 "[ . 1]" 1
59 1 27 ILE H 1 29 ALA H 3.500 . 4.500 3.920 3.624 4.119 . 0 0 "[ . 1]" 1
60 1 27 ILE H 1 30 LEU H 3.500 . 4.500 4.565 4.439 4.740 0.240 1 0 "[ . 1]" 1
61 1 27 ILE HA 1 29 ALA H 3.500 2.800 5.500 4.430 4.132 4.670 . 0 0 "[ . 1]" 1
62 1 28 LEU H 1 29 ALA H 2.500 . 3.500 2.820 2.482 2.988 . 0 0 "[ . 1]" 1
63 1 28 LEU H 1 30 LEU H 3.500 . 4.500 4.138 3.970 4.335 . 0 0 "[ . 1]" 1
64 1 28 LEU HA 1 29 ALA H 3.500 2.800 5.500 3.555 3.515 3.580 . 0 0 "[ . 1]" 1
65 1 28 LEU HA 1 32 LYS H 4.500 . 5.500 5.141 4.525 5.549 0.049 4 0 "[ . 1]" 1
66 1 29 ALA H 1 29 ALA HA 2.500 . 3.500 2.812 2.767 2.875 . 0 0 "[ . 1]" 1
67 1 29 ALA H 1 29 ALA MB 2.500 . 3.500 2.221 2.168 2.257 . 0 0 "[ . 1]" 1
68 1 29 ALA H 1 30 LEU H 2.500 . 3.500 2.692 2.509 2.934 . 0 0 "[ . 1]" 1
69 1 29 ALA HA 1 32 LYS H 4.500 . 5.500 3.349 3.059 3.606 . 0 0 "[ . 1]" 1
70 1 30 LEU H 1 30 LEU HA 2.500 . 3.500 2.770 2.739 2.787 . 0 0 "[ . 1]" 1
71 1 30 LEU H 1 31 TRP H 3.500 . 3.500 2.850 2.786 2.913 . 0 0 "[ . 1]" 1
72 1 30 LEU H 1 32 LYS H 3.500 . 4.500 4.228 4.102 4.454 . 0 0 "[ . 1]" 1
73 1 30 LEU H 1 33 ILE H 4.500 . 5.500 4.846 4.604 5.093 . 0 0 "[ . 1]" 1
74 1 30 LEU HA 1 33 ILE H 3.500 . 4.500 3.368 3.047 3.861 . 0 0 "[ . 1]" 1
75 1 31 TRP H 1 32 LYS H 2.500 . 3.500 2.740 2.508 3.040 . 0 0 "[ . 1]" 1
76 1 31 TRP H 1 33 ILE H 4.500 . 5.500 4.270 3.994 4.486 . 0 0 "[ . 1]" 1
77 1 31 TRP HA 1 32 LYS H 3.500 . 4.500 3.497 3.439 3.584 . 0 0 "[ . 1]" 1
78 1 31 TRP HA 1 33 ILE H 3.500 . 4.500 4.540 4.152 4.726 0.226 4 0 "[ . 1]" 1
79 1 32 LYS H 1 32 LYS HA 2.500 . 3.500 2.864 2.786 2.898 . 0 0 "[ . 1]" 1
80 1 32 LYS H 1 33 ILE H . . 3.500 2.558 2.324 2.946 . 0 0 "[ . 1]" 1
81 1 32 LYS H 1 34 GLY H 4.500 . 5.500 3.624 3.443 3.863 . 0 0 "[ . 1]" 1
82 1 32 LYS H 1 36 PHE H 4.500 . 5.500 5.604 5.430 5.855 0.355 10 0 "[ . 1]" 1
83 1 32 LYS HA 1 33 ILE H 3.500 . 4.500 3.526 3.451 3.569 . 0 0 "[ . 1]" 1
84 1 32 LYS HA 1 34 GLY H 3.500 . 4.500 3.678 3.408 3.876 . 0 0 "[ . 1]" 1
85 1 33 ILE H 1 33 ILE HA 2.500 . 3.500 2.895 2.850 2.931 . 0 0 "[ . 1]" 1
86 1 33 ILE H 1 33 ILE HB 2.500 . 3.500 2.684 2.462 3.622 0.122 4 0 "[ . 1]" 1
87 1 33 ILE H 1 34 GLY H 2.500 . 3.500 2.569 2.427 2.768 . 0 0 "[ . 1]" 1
88 1 33 ILE H 1 35 PHE H 4.500 . 5.500 4.797 4.295 5.521 0.021 2 0 "[ . 1]" 1
89 1 33 ILE HB 1 34 GLY H 3.500 . 4.500 3.691 3.328 4.285 . 0 0 "[ . 1]" 1
90 1 34 GLY H 1 34 GLY HA2 2.500 . 3.500 2.957 2.939 2.965 . 0 0 "[ . 1]" 1
91 1 34 GLY H 1 34 GLY HA3 2.500 . 3.500 2.478 2.378 2.595 . 0 0 "[ . 1]" 1
92 1 34 GLY H 1 35 PHE H 2.500 . 3.500 2.599 2.219 3.236 . 0 0 "[ . 1]" 1
93 1 34 GLY H 1 36 PHE H 4.500 . 4.500 3.152 2.894 3.714 . 0 0 "[ . 1]" 1
94 1 34 GLY H 1 37 LYS H 3.500 . 4.500 4.157 3.586 4.671 0.171 2 0 "[ . 1]" 1
95 1 34 GLY QA 1 37 LYS H 4.500 . 5.500 3.645 2.957 5.516 0.016 2 0 "[ . 1]" 1
96 1 34 GLY HA2 1 35 PHE H 3.500 . 4.500 3.408 2.565 3.596 . 0 0 "[ . 1]" 1
97 1 34 GLY HA2 1 36 PHE H 3.500 . 4.500 4.104 3.701 4.652 0.152 2 0 "[ . 1]" 1
98 1 34 GLY HA3 1 35 PHE H 3.500 . 4.500 2.692 2.347 3.562 . 0 0 "[ . 1]" 1
99 1 34 GLY HA3 1 36 PHE H 3.500 . 4.500 4.095 3.263 4.566 0.066 1 0 "[ . 1]" 1
100 1 35 PHE H 1 35 PHE HA 2.500 . 3.500 2.657 2.282 2.799 . 0 0 "[ . 1]" 1
101 1 35 PHE H 1 35 PHE HB3 2.500 . 3.500 3.020 2.618 3.529 0.029 3 0 "[ . 1]" 1
102 1 35 PHE H 1 36 PHE H 3.500 . 3.500 2.852 2.631 3.148 . 0 0 "[ . 1]" 1
103 1 35 PHE H 1 37 LYS H 3.500 2.500 4.500 4.124 3.861 4.436 . 0 0 "[ . 1]" 1
104 1 35 PHE HA 1 36 PHE H 3.500 . 4.500 3.387 2.690 3.558 . 0 0 "[ . 1]" 1
105 1 35 PHE HA 1 37 LYS H 3.500 . 4.500 3.948 3.182 4.688 0.188 9 0 "[ . 1]" 1
106 1 35 PHE HB3 1 36 PHE H 3.500 . 4.500 3.070 2.322 4.335 . 0 0 "[ . 1]" 1
107 1 35 PHE HB3 1 37 LYS H 4.500 . 5.500 5.031 4.551 5.681 0.181 3 0 "[ . 1]" 1
108 1 35 PHE QD 1 36 PHE H 4.500 . 4.500 4.172 3.593 4.663 0.163 2 0 "[ . 1]" 1
109 1 36 PHE H 1 36 PHE HA 2.500 . 3.500 2.881 2.695 2.940 . 0 0 "[ . 1]" 1
110 1 36 PHE H 1 36 PHE HB3 2.500 . 3.500 2.940 2.439 3.640 0.140 10 0 "[ . 1]" 1
111 1 36 PHE H 1 36 PHE HD1 4.500 . 5.500 4.410 2.347 5.126 . 0 0 "[ . 1]" 1
112 1 36 PHE H 1 36 PHE HD2 3.500 . 4.500 4.538 3.027 5.169 0.669 6 2 "[ .+- 1]" 1
113 1 36 PHE H 1 37 LYS H 2.500 . 3.500 2.401 1.766 2.953 0.034 2 0 "[ . 1]" 1
114 1 36 PHE H 1 38 ARG H 3.500 . 4.500 4.297 3.649 4.587 0.087 8 0 "[ . 1]" 1
115 1 36 PHE HA 1 37 LYS H 3.500 . 4.500 3.381 3.092 3.520 . 0 0 "[ . 1]" 1
116 1 36 PHE HA 1 38 ARG H 3.500 . 4.500 3.854 3.134 4.587 0.087 6 0 "[ . 1]" 1
117 1 36 PHE HB3 1 37 LYS H 3.500 . 4.500 3.220 2.276 4.212 . 0 0 "[ . 1]" 1
118 1 36 PHE QD 1 37 LYS H 4.000 . 5.000 4.198 3.376 4.818 . 0 0 "[ . 1]" 1
119 1 37 LYS H 1 37 LYS HA 2.500 . 3.500 2.710 2.310 2.955 . 0 0 "[ . 1]" 1
120 1 37 LYS H 1 38 ARG H 3.500 . 4.500 2.940 2.293 3.302 . 0 0 "[ . 1]" 1
121 1 37 LYS HA 1 38 ARG H 3.500 . 4.500 3.001 2.700 3.567 . 0 0 "[ . 1]" 1
122 1 38 ARG H 1 38 ARG HA 2.500 . 3.500 2.594 2.293 2.962 . 0 0 "[ . 1]" 1
123 1 38 ARG H 1 38 ARG HB3 2.500 . 3.500 3.230 2.600 3.799 0.299 7 0 "[ . 1]" 1
stop_
save_
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