NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
572430 |
2m77   |
19175 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2m77
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 92
_Distance_constraint_stats_list.Viol_count 287
_Distance_constraint_stats_list.Viol_total 429.858
_Distance_constraint_stats_list.Viol_max 0.189
_Distance_constraint_stats_list.Viol_rms 0.0320
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0117
_Distance_constraint_stats_list.Viol_average_violations_only 0.0749
_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 2 ASP 0.211 0.033 15 0 "[ . 1 . 2]"
1 3 CYS 5.271 0.189 4 0 "[ . 1 . 2]"
1 4 ARG 4.817 0.189 4 0 "[ . 1 . 2]"
1 5 CYS 4.260 0.143 10 0 "[ . 1 . 2]"
1 6 LEU 2.740 0.143 10 0 "[ . 1 . 2]"
1 7 CYS 4.022 0.146 20 0 "[ . 1 . 2]"
1 8 ARG 2.229 0.128 1 0 "[ . 1 . 2]"
1 9 ARG 0.016 0.011 8 0 "[ . 1 . 2]"
1 10 GLY 0.016 0.011 8 0 "[ . 1 . 2]"
1 11 VAL 0.572 0.065 6 0 "[ . 1 . 2]"
1 12 CYS 2.599 0.146 20 0 "[ . 1 . 2]"
1 13 ARG 2.623 0.104 7 0 "[ . 1 . 2]"
1 14 CYS 3.529 0.133 16 0 "[ . 1 . 2]"
1 15 ILE 0.671 0.077 9 0 "[ . 1 . 2]"
1 16 CYS 4.060 0.158 19 0 "[ . 1 . 2]"
1 17 THR 2.528 0.162 7 0 "[ . 1 . 2]"
1 18 ARG 2.133 0.162 7 0 "[ . 1 . 2]"
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 18 ARG H 1 18 ARG HA 2.285 . 2.770 2.295 2.256 2.340 . 0 0 "[ . 1 . 2]" 1
2 1 9 ARG H 1 9 ARG HA 2.180 . 2.560 2.247 2.234 2.271 . 0 0 "[ . 1 . 2]" 1
3 1 2 ASP H 1 2 ASP HB3 2.610 . 3.420 2.552 2.399 2.839 . 0 0 "[ . 1 . 2]" 1
4 1 2 ASP H 1 2 ASP HB2 2.610 . 3.420 3.010 2.746 3.335 . 0 0 "[ . 1 . 2]" 1
5 1 5 CYS H 1 5 CYS HB3 2.815 . 3.830 3.726 3.674 3.797 . 0 0 "[ . 1 . 2]" 1
6 1 5 CYS H 1 5 CYS HB2 2.750 . 3.700 2.654 2.592 2.745 . 0 0 "[ . 1 . 2]" 1
7 1 6 LEU H 1 6 LEU QB 2.990 . 4.180 2.792 2.454 3.219 . 0 0 "[ . 1 . 2]" 1
8 1 7 CYS H 1 7 CYS HB3 2.890 . 3.980 3.791 3.729 3.876 . 0 0 "[ . 1 . 2]" 1
9 1 7 CYS H 1 7 CYS HB2 2.625 . 3.450 2.788 2.708 2.902 . 0 0 "[ . 1 . 2]" 1
10 1 8 ARG H 1 8 ARG QB 2.990 . 4.180 2.924 2.668 3.373 . 0 0 "[ . 1 . 2]" 1
11 1 9 ARG H 1 9 ARG HB3 2.765 . 3.730 3.629 3.517 3.720 . 0 0 "[ . 1 . 2]" 1
12 1 9 ARG H 1 9 ARG HB2 2.890 . 3.980 3.120 3.004 3.234 . 0 0 "[ . 1 . 2]" 1
13 1 11 VAL H 1 11 VAL HB 2.505 . 3.210 2.719 2.485 3.224 0.014 18 0 "[ . 1 . 2]" 1
14 1 12 CYS H 1 12 CYS HB3 2.905 . 4.010 3.668 3.626 3.737 . 0 0 "[ . 1 . 2]" 1
15 1 12 CYS H 1 12 CYS HB2 2.845 . 3.890 2.510 2.444 2.608 . 0 0 "[ . 1 . 2]" 1
16 1 14 CYS H 1 14 CYS HB3 2.845 . 3.890 3.721 3.646 3.809 . 0 0 "[ . 1 . 2]" 1
17 1 14 CYS H 1 14 CYS HB2 2.565 . 3.330 2.585 2.463 2.717 . 0 0 "[ . 1 . 2]" 1
18 1 15 ILE H 1 15 ILE HB 2.535 . 3.270 2.844 2.482 3.256 . 0 0 "[ . 1 . 2]" 1
19 1 17 THR H 1 17 THR HB 2.520 . 3.240 2.951 2.745 3.312 0.072 18 0 "[ . 1 . 2]" 1
20 1 18 ARG H 1 18 ARG HB3 2.845 . 3.890 3.656 3.545 3.778 . 0 0 "[ . 1 . 2]" 1
21 1 18 ARG H 1 18 ARG HB2 2.955 . 4.110 3.026 2.867 3.139 . 0 0 "[ . 1 . 2]" 1
22 1 16 CYS H 1 16 CYS HB3 2.875 . 3.950 3.748 3.670 3.810 . 0 0 "[ . 1 . 2]" 1
23 1 16 CYS H 1 16 CYS HB2 2.625 . 3.450 2.654 2.536 2.757 . 0 0 "[ . 1 . 2]" 1
24 1 2 ASP H 1 17 THR H 2.455 . 3.110 3.086 2.912 3.143 0.033 15 0 "[ . 1 . 2]" 1
25 1 3 CYS HA 1 4 ARG H 2.315 . 2.830 1.995 1.878 2.152 . 0 0 "[ . 1 . 2]" 1
26 1 3 CYS HA 1 16 CYS HA 2.285 2.050 2.770 1.937 1.902 1.967 0.148 17 0 "[ . 1 . 2]" 1
27 1 3 CYS HB3 1 4 ARG H 2.365 . 2.930 2.824 2.703 3.101 0.171 19 0 "[ . 1 . 2]" 1
28 1 3 CYS HB2 1 4 ARG H 2.735 . 3.670 3.804 3.688 3.859 0.189 4 0 "[ . 1 . 2]" 1
29 1 4 ARG H 1 16 CYS HA 2.270 . 2.740 2.830 2.773 2.898 0.158 19 0 "[ . 1 . 2]" 1
30 1 4 ARG HA 1 5 CYS H 2.425 . 3.050 2.261 2.149 2.493 . 0 0 "[ . 1 . 2]" 1
31 1 5 CYS HA 1 6 LEU H 2.100 . 2.400 2.059 1.896 2.226 . 0 0 "[ . 1 . 2]" 1
32 1 5 CYS HA 1 15 ILE H 2.315 . 2.830 2.819 2.469 2.907 0.077 9 0 "[ . 1 . 2]" 1
33 1 5 CYS HB2 1 6 LEU H 2.775 . 3.750 3.822 3.749 3.893 0.143 10 0 "[ . 1 . 2]" 1
34 1 5 CYS HB3 1 6 LEU H 2.380 . 2.960 2.840 2.675 3.004 0.044 10 0 "[ . 1 . 2]" 1
35 1 5 CYS HA 1 5 CYS HB3 2.380 . 2.960 2.407 2.356 2.447 . 0 0 "[ . 1 . 2]" 1
36 1 6 LEU H 1 14 CYS HA 2.380 . 2.960 3.018 2.918 3.086 0.126 1 0 "[ . 1 . 2]" 1
37 1 6 LEU HA 1 7 CYS H 2.550 . 3.300 2.323 2.128 2.575 . 0 0 "[ . 1 . 2]" 1
38 1 6 LEU QB 1 7 CYS H 3.410 . 5.020 2.898 2.429 3.693 . 0 0 "[ . 1 . 2]" 1
39 1 7 CYS HA 1 13 ARG H 2.300 . 2.800 2.822 2.612 2.904 0.104 7 0 "[ . 1 . 2]" 1
40 1 7 CYS HA 1 8 ARG H 2.130 . 2.460 2.190 2.110 2.298 . 0 0 "[ . 1 . 2]" 1
41 1 7 CYS HB2 1 8 ARG H 2.660 . 3.520 3.604 3.551 3.648 0.128 1 0 "[ . 1 . 2]" 1
42 1 7 CYS HB3 1 8 ARG H 2.380 . 2.960 2.695 2.593 2.872 . 0 0 "[ . 1 . 2]" 1
43 1 8 ARG H 1 11 VAL H 2.315 . 2.830 2.857 2.805 2.895 0.065 6 0 "[ . 1 . 2]" 1
44 1 8 ARG HA 1 9 ARG H 2.195 . 2.590 2.159 2.096 2.246 . 0 0 "[ . 1 . 2]" 1
45 1 9 ARG H 1 10 GLY H 2.470 . 3.140 2.619 2.454 2.709 . 0 0 "[ . 1 . 2]" 1
46 1 8 ARG QB 1 9 ARG H 3.285 . 4.770 3.402 2.987 3.841 . 0 0 "[ . 1 . 2]" 1
47 1 9 ARG HA 1 10 GLY H 2.465 . 3.130 2.933 2.692 3.141 0.011 8 0 "[ . 1 . 2]" 1
48 1 10 GLY H 1 11 VAL H 2.315 . 2.830 2.520 2.297 2.734 . 0 0 "[ . 1 . 2]" 1
49 1 12 CYS HA 1 13 ARG H 2.240 . 2.680 2.024 1.960 2.095 . 0 0 "[ . 1 . 2]" 1
50 1 12 CYS HB3 1 13 ARG H 2.535 . 3.270 3.129 3.017 3.237 . 0 0 "[ . 1 . 2]" 1
51 1 12 CYS HB2 1 13 ARG H 2.915 . 4.030 4.088 4.041 4.126 0.096 3 0 "[ . 1 . 2]" 1
52 1 12 CYS HA 1 12 CYS HB3 2.395 . 2.990 2.447 2.398 2.495 . 0 0 "[ . 1 . 2]" 1
53 1 13 ARG HA 1 14 CYS H 2.350 . 2.900 2.265 2.125 2.447 . 0 0 "[ . 1 . 2]" 1
54 1 14 CYS HA 1 15 ILE H 2.350 . 2.900 2.080 2.001 2.185 . 0 0 "[ . 1 . 2]" 1
55 1 14 CYS HB3 1 15 ILE H 2.640 . 3.480 3.325 2.832 3.518 0.038 1 0 "[ . 1 . 2]" 1
56 1 15 ILE HA 1 16 CYS H 2.350 . 2.900 2.299 2.082 2.430 . 0 0 "[ . 1 . 2]" 1
57 1 16 CYS HA 1 17 THR H 2.410 . 3.020 2.197 2.082 2.329 . 0 0 "[ . 1 . 2]" 1
58 1 16 CYS HB3 1 17 THR H 2.860 . 3.920 3.157 2.855 3.350 . 0 0 "[ . 1 . 2]" 1
59 1 17 THR HA 1 18 ARG H 2.285 . 2.770 2.120 2.000 2.365 . 0 0 "[ . 1 . 2]" 1
60 1 17 THR HB 1 18 ARG H 2.765 . 3.730 3.837 3.772 3.892 0.162 7 0 "[ . 1 . 2]" 1
61 1 4 ARG H 1 4 ARG QD 4.090 . 6.380 4.684 3.523 5.340 . 0 0 "[ . 1 . 2]" 1
62 1 4 ARG H 1 4 ARG QG 3.535 . 5.270 3.512 2.226 4.301 . 0 0 "[ . 1 . 2]" 1
63 1 8 ARG H 1 8 ARG QG 3.985 . 6.170 3.458 2.396 4.396 . 0 0 "[ . 1 . 2]" 1
64 1 9 ARG H 1 9 ARG QG 3.485 . 5.170 4.341 4.101 4.585 . 0 0 "[ . 1 . 2]" 1
65 1 9 ARG H 1 9 ARG QD 4.090 . 6.380 4.734 3.815 5.464 . 0 0 "[ . 1 . 2]" 1
66 1 8 ARG H 1 8 ARG QD 4.090 . 6.380 4.666 3.924 5.366 . 0 0 "[ . 1 . 2]" 1
67 1 13 ARG H 1 13 ARG QD 4.090 . 6.380 4.470 3.956 5.088 . 0 0 "[ . 1 . 2]" 1
68 1 15 ILE H 1 15 ILE HG13 3.650 . 5.500 3.745 2.485 4.674 . 0 0 "[ . 1 . 2]" 1
69 1 18 ARG H 1 18 ARG QD 4.090 . 6.380 4.870 3.770 5.518 . 0 0 "[ . 1 . 2]" 1
70 1 18 ARG H 1 18 ARG QG 3.965 . 6.130 4.275 3.993 4.574 . 0 0 "[ . 1 . 2]" 1
71 1 6 LEU H 1 6 LEU HG 3.185 . 4.570 3.598 2.355 4.588 0.018 10 0 "[ . 1 . 2]" 1
72 1 15 ILE H 1 15 ILE HG12 3.650 . 5.500 4.167 2.550 4.999 . 0 0 "[ . 1 . 2]" 1
73 1 9 ARG HA 1 9 ARG QD 4.090 . 6.380 3.264 2.004 4.288 . 0 0 "[ . 1 . 2]" 1
74 1 18 ARG HA 1 18 ARG QD 4.090 . 6.380 3.513 1.946 4.239 . 0 0 "[ . 1 . 2]" 1
75 1 6 LEU H 1 6 LEU QD 4.420 . 7.040 3.052 1.969 4.024 . 0 0 "[ . 1 . 2]" 1
76 1 15 ILE H 1 15 ILE MG 3.630 . 5.460 2.982 2.011 3.887 . 0 0 "[ . 1 . 2]" 1
77 1 15 ILE H 1 15 ILE MD 3.775 . 5.750 4.172 3.489 4.666 . 0 0 "[ . 1 . 2]" 1
78 1 17 THR H 1 17 THR MG 4.095 . 6.390 3.615 2.250 4.013 . 0 0 "[ . 1 . 2]" 1
79 1 6 LEU QD 1 7 CYS H 4.635 . 7.470 3.447 2.294 4.397 . 0 0 "[ . 1 . 2]" 1
80 1 10 GLY H 1 11 VAL QG 4.375 . 6.950 4.174 3.839 4.356 . 0 0 "[ . 1 . 2]" 1
81 1 15 ILE MG 1 16 CYS H 3.525 . 5.250 3.114 2.176 4.077 . 0 0 "[ . 1 . 2]" 1
82 1 15 ILE HA 1 15 ILE MD 3.805 . 5.810 3.173 2.016 3.927 . 0 0 "[ . 1 . 2]" 1
83 1 15 ILE MD 1 16 CYS H 3.555 . 5.310 3.866 2.027 5.162 . 0 0 "[ . 1 . 2]" 1
84 1 17 THR MG 1 18 ARG QG 4.600 . 7.400 4.610 4.031 5.307 . 0 0 "[ . 1 . 2]" 1
85 1 17 THR MG 1 18 ARG H 3.835 . 5.870 2.761 2.275 3.959 . 0 0 "[ . 1 . 2]" 1
86 1 2 ASP H 1 2 ASP QB 2.370 . 2.940 2.416 2.302 2.592 . 0 0 "[ . 1 . 2]" 1
87 1 10 GLY H 1 10 GLY QA 2.165 . 2.530 2.240 2.201 2.302 . 0 0 "[ . 1 . 2]" 1
88 1 13 ARG H 1 13 ARG QG 2.840 . 3.880 3.129 2.295 3.978 0.098 19 0 "[ . 1 . 2]" 1
89 1 13 ARG QG 1 14 CYS H 3.120 . 4.440 3.631 2.277 4.473 0.033 12 0 "[ . 1 . 2]" 1
90 1 15 ILE H 1 15 ILE QG 3.300 . 4.800 3.368 2.449 4.189 . 0 0 "[ . 1 . 2]" 1
91 1 7 CYS HA 1 12 CYS HA 2.180 2.050 102.180 1.978 1.904 2.029 0.146 20 0 "[ . 1 . 2]" 1
92 1 5 CYS HA 1 14 CYS HA 2.180 2.050 102.180 1.942 1.917 1.985 0.133 16 0 "[ . 1 . 2]" 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 16
_Distance_constraint_stats_list.Viol_count 47
_Distance_constraint_stats_list.Viol_total 12.635
_Distance_constraint_stats_list.Viol_max 0.055
_Distance_constraint_stats_list.Viol_rms 0.0063
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0020
_Distance_constraint_stats_list.Viol_average_violations_only 0.0134
_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 2 ASP 0.094 0.026 13 0 "[ . 1 . 2]"
1 4 ARG 0.238 0.055 14 0 "[ . 1 . 2]"
1 6 LEU 0.187 0.034 1 0 "[ . 1 . 2]"
1 8 ARG 0.113 0.021 10 0 "[ . 1 . 2]"
1 11 VAL 0.113 0.021 10 0 "[ . 1 . 2]"
1 13 ARG 0.187 0.034 1 0 "[ . 1 . 2]"
1 15 ILE 0.238 0.055 14 0 "[ . 1 . 2]"
1 17 THR 0.094 0.026 13 0 "[ . 1 . 2]"
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 2 ASP H 1 17 THR O 1.900 . 2.000 1.949 1.856 2.026 0.026 17 0 "[ . 1 . 2]" 2
2 1 2 ASP N 1 17 THR O 2.400 . 3.000 2.884 2.782 2.983 . 0 0 "[ . 1 . 2]" 2
3 1 2 ASP O 1 17 THR H 1.900 . 2.000 1.891 1.813 2.026 0.026 13 0 "[ . 1 . 2]" 2
4 1 2 ASP O 1 17 THR N 2.400 . 3.000 2.845 2.735 2.967 . 0 0 "[ . 1 . 2]" 2
5 1 4 ARG H 1 15 ILE O 1.900 . 2.000 1.868 1.788 2.055 0.055 14 0 "[ . 1 . 2]" 2
6 1 4 ARG N 1 15 ILE O 2.400 . 3.000 2.829 2.750 3.004 0.004 14 0 "[ . 1 . 2]" 2
7 1 4 ARG O 1 15 ILE H 1.900 . 2.000 1.924 1.794 2.023 0.023 13 0 "[ . 1 . 2]" 2
8 1 4 ARG O 1 15 ILE N 2.400 . 3.000 2.849 2.719 2.958 . 0 0 "[ . 1 . 2]" 2
9 1 6 LEU H 1 13 ARG O 1.900 . 2.000 1.848 1.778 2.015 0.022 18 0 "[ . 1 . 2]" 2
10 1 6 LEU N 1 13 ARG O 2.400 . 3.000 2.826 2.756 2.997 . 0 0 "[ . 1 . 2]" 2
11 1 6 LEU O 1 13 ARG H 1.900 . 2.000 1.820 1.766 1.999 0.034 1 0 "[ . 1 . 2]" 2
12 1 6 LEU O 1 13 ARG N 2.400 . 3.000 2.792 2.728 2.980 . 0 0 "[ . 1 . 2]" 2
13 1 8 ARG H 1 11 VAL O 1.900 . 2.000 1.842 1.787 1.987 0.013 15 0 "[ . 1 . 2]" 2
14 1 8 ARG N 1 11 VAL O 2.400 . 3.000 2.802 2.749 2.946 . 0 0 "[ . 1 . 2]" 2
15 1 8 ARG O 1 11 VAL H 1.900 . 2.000 1.977 1.878 2.021 0.021 10 0 "[ . 1 . 2]" 2
16 1 8 ARG O 1 11 VAL N 2.400 . 3.000 2.915 2.807 2.976 . 0 0 "[ . 1 . 2]" 2
stop_
save_
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