NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
622978 |
5wdz   |
30316 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_5wdz
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 406
_Distance_constraint_stats_list.Viol_count 184
_Distance_constraint_stats_list.Viol_total 163.233
_Distance_constraint_stats_list.Viol_max 0.405
_Distance_constraint_stats_list.Viol_rms 0.0247
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0040
_Distance_constraint_stats_list.Viol_average_violations_only 0.0887
_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 ALA 0.156 0.062 7 0 "[ . 1]"
1 3 LYS 0.000 0.000 . 0 "[ . 1]"
1 4 GLU 0.000 0.000 . 0 "[ . 1]"
1 5 LEU 1.054 0.203 6 0 "[ . 1]"
1 6 ARG 0.067 0.067 1 0 "[ . 1]"
1 7 CYS 0.156 0.068 10 0 "[ . 1]"
1 8 GLN 1.466 0.181 4 0 "[ . 1]"
1 9 CYS 1.570 0.181 4 0 "[ . 1]"
1 10 ILE 0.000 0.000 . 0 "[ . 1]"
1 11 LYS 0.000 0.000 . 0 "[ . 1]"
1 12 THR 0.000 0.000 . 0 "[ . 1]"
1 13 TYR 0.618 0.153 3 0 "[ . 1]"
1 14 SER 0.167 0.167 7 0 "[ . 1]"
1 16 PRO 0.389 0.108 6 0 "[ . 1]"
1 17 PHE 0.381 0.170 7 0 "[ . 1]"
1 20 LYS 0.417 0.144 7 0 "[ . 1]"
1 21 PHE 0.000 0.000 . 0 "[ . 1]"
1 22 ILE 0.523 0.149 4 0 "[ . 1]"
1 23 LYS 0.367 0.159 7 0 "[ . 1]"
1 24 GLU 0.131 0.131 4 0 "[ . 1]"
1 25 LEU 0.054 0.054 1 0 "[ . 1]"
1 26 ARG 2.928 0.336 7 0 "[ . 1]"
1 27 VAL 0.000 0.000 . 0 "[ . 1]"
1 28 ILE 0.405 0.405 6 0 "[ . 1]"
1 29 GLU 0.000 0.000 . 0 "[ . 1]"
1 30 SER 0.000 0.000 . 0 "[ . 1]"
1 31 GLY 0.000 0.000 . 0 "[ . 1]"
1 32 PRO 0.156 0.062 7 0 "[ . 1]"
1 33 HIS 1.054 0.203 6 0 "[ . 1]"
1 34 CYS 0.074 0.068 10 0 "[ . 1]"
1 35 ALA 0.000 0.000 . 0 "[ . 1]"
1 36 ASN 0.000 0.000 . 0 "[ . 1]"
1 37 THR 0.000 0.000 . 0 "[ . 1]"
1 38 GLU 0.000 0.000 . 0 "[ . 1]"
1 39 ILE 0.000 0.000 . 0 "[ . 1]"
1 40 ILE 0.665 0.094 10 0 "[ . 1]"
1 41 VAL 0.177 0.170 7 0 "[ . 1]"
1 42 LYS 3.478 0.336 7 0 "[ . 1]"
1 43 LEU 0.377 0.102 4 0 "[ . 1]"
1 44 SER 0.306 0.159 7 0 "[ . 1]"
1 45 ASP 0.000 0.000 . 0 "[ . 1]"
1 46 GLY 0.637 0.106 8 0 "[ . 1]"
1 47 ARG 0.402 0.187 9 0 "[ . 1]"
1 48 GLU 0.943 0.187 9 0 "[ . 1]"
1 49 LEU 0.149 0.149 4 0 "[ . 1]"
1 50 CYS 0.906 0.127 2 0 "[ . 1]"
1 51 LEU 0.237 0.062 8 0 "[ . 1]"
1 52 ASP 0.000 0.000 . 0 "[ . 1]"
1 53 PRO 0.000 0.000 . 0 "[ . 1]"
1 54 LYS 0.000 0.000 . 0 "[ . 1]"
1 55 GLU 0.225 0.080 8 0 "[ . 1]"
1 57 TRP 2.069 0.174 7 0 "[ . 1]"
1 58 VAL 0.027 0.016 7 0 "[ . 1]"
1 59 GLN 1.740 0.188 2 0 "[ . 1]"
1 60 ARG 2.703 0.317 9 0 "[ . 1]"
1 61 VAL 0.000 0.000 . 0 "[ . 1]"
1 62 VAL 0.000 0.000 . 0 "[ . 1]"
1 63 GLU 0.000 0.000 . 0 "[ . 1]"
1 64 LYS 3.036 0.317 9 0 "[ . 1]"
1 65 PHE 0.976 0.144 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 3 LYS HA 1 3 LYS QG 3.000 . 4.200 2.622 2.316 2.955 . 0 0 "[ . 1]" 1
2 1 4 GLU HA 1 4 GLU QG 3.000 . 4.200 2.566 2.397 2.923 . 0 0 "[ . 1]" 1
3 1 5 LEU HA 1 5 LEU HG 4.000 . 5.600 3.076 2.334 3.188 . 0 0 "[ . 1]" 1
4 1 5 LEU HA 1 5 LEU QD 3.000 . 4.200 2.278 2.107 3.006 . 0 0 "[ . 1]" 1
5 1 5 LEU HA 1 6 ARG H 3.000 . 4.200 2.190 2.132 2.359 . 0 0 "[ . 1]" 1
6 1 5 LEU HG 1 6 ARG H 4.000 . 5.600 4.200 2.977 5.230 . 0 0 "[ . 1]" 1
7 1 5 LEU QD 1 6 ARG H 4.000 . 5.600 3.207 2.491 4.058 . 0 0 "[ . 1]" 1
8 1 5 LEU QB 1 6 ARG HA 4.000 . 5.600 4.334 3.952 4.597 . 0 0 "[ . 1]" 1
9 1 6 ARG H 1 6 ARG QG 4.000 . 5.600 3.455 2.463 4.266 . 0 0 "[ . 1]" 1
10 1 6 ARG QB 1 6 ARG QD 3.000 . 4.200 2.255 1.977 2.735 . 0 0 "[ . 1]" 1
11 1 6 ARG HB3 1 7 CYS H 3.000 . 4.200 3.374 2.552 4.116 . 0 0 "[ . 1]" 1
12 1 6 ARG HB2 1 7 CYS H 3.000 . 4.200 3.900 2.485 4.267 0.067 1 0 "[ . 1]" 1
13 1 6 ARG QG 1 7 CYS H 4.000 . 5.600 3.373 2.345 4.354 . 0 0 "[ . 1]" 1
14 1 6 ARG HA 1 7 CYS HA 5.000 . 7.000 4.355 4.330 4.375 . 0 0 "[ . 1]" 1
15 1 7 CYS HA 1 34 CYS QB 3.000 . 4.200 4.087 3.771 4.268 0.068 10 0 "[ . 1]" 1
16 1 7 CYS HB3 1 8 GLN H 4.000 . 5.600 3.714 2.540 4.182 . 0 0 "[ . 1]" 1
17 1 7 CYS HB2 1 8 GLN H 4.000 . 5.600 4.326 3.800 4.632 . 0 0 "[ . 1]" 1
18 1 8 GLN H 1 8 GLN QB 3.000 . 4.200 2.322 2.241 2.520 . 0 0 "[ . 1]" 1
19 1 8 GLN H 1 8 GLN HB3 3.000 . 4.200 2.968 2.550 3.581 . 0 0 "[ . 1]" 1
20 1 8 GLN H 1 8 GLN HB2 3.000 . 4.200 2.566 2.394 3.603 . 0 0 "[ . 1]" 1
21 1 8 GLN H 1 8 GLN QG 3.000 . 4.200 3.122 2.092 3.979 . 0 0 "[ . 1]" 1
22 1 8 GLN HA 1 8 GLN QG 3.000 . 4.200 2.503 2.364 3.350 . 0 0 "[ . 1]" 1
23 1 7 CYS QB 1 9 CYS H 3.000 . 4.200 3.566 2.710 4.216 0.016 1 0 "[ . 1]" 1
24 1 8 GLN H 1 9 CYS H 3.000 . 4.200 2.687 2.640 2.731 . 0 0 "[ . 1]" 1
25 1 8 GLN QB 1 9 CYS H 4.000 . 5.600 2.700 2.566 3.671 . 0 0 "[ . 1]" 1
26 1 8 GLN QG 1 9 CYS H 4.000 . 5.600 3.768 2.588 4.160 . 0 0 "[ . 1]" 1
27 1 8 GLN QG 1 9 CYS HA 4.000 . 5.600 4.547 3.629 5.721 0.121 3 0 "[ . 1]" 1
28 1 8 GLN QG 1 9 CYS QB 4.000 . 5.600 5.033 3.695 5.781 0.181 4 0 "[ . 1]" 1
29 1 9 CYS H 1 9 CYS QB 3.000 . 4.200 2.412 2.279 2.511 . 0 0 "[ . 1]" 1
30 1 9 CYS QB 1 10 ILE H 4.000 . 5.600 3.615 3.199 3.795 . 0 0 "[ . 1]" 1
31 1 9 CYS HA 1 10 ILE HA 4.000 . 5.600 4.471 4.388 4.530 . 0 0 "[ . 1]" 1
32 1 9 CYS QB 1 10 ILE HA 4.000 . 5.600 4.539 4.248 4.677 . 0 0 "[ . 1]" 1
33 1 9 CYS QB 1 10 ILE HB 5.000 . 7.000 5.678 5.308 6.241 . 0 0 "[ . 1]" 1
34 1 10 ILE H 1 10 ILE MD 4.000 . 5.600 3.526 3.277 3.791 . 0 0 "[ . 1]" 1
35 1 10 ILE HA 1 10 ILE MG 3.000 . 4.200 2.451 2.345 2.503 . 0 0 "[ . 1]" 1
36 1 11 LYS QE 1 11 LYS QG 3.000 . 4.200 2.357 2.276 2.739 . 0 0 "[ . 1]" 1
37 1 12 THR HA 1 12 THR MG 3.000 . 4.200 2.359 2.325 2.402 . 0 0 "[ . 1]" 1
38 1 12 THR HA 1 13 TYR H 2.000 . 2.800 2.366 2.350 2.388 . 0 0 "[ . 1]" 1
39 1 12 THR HB 1 13 TYR H 4.000 . 5.600 2.511 2.481 2.570 . 0 0 "[ . 1]" 1
40 1 13 TYR QE 1 57 TRP HE1 5.000 . 7.000 6.864 6.181 7.153 0.153 3 0 "[ . 1]" 1
41 1 14 SER QB 1 57 TRP HE1 5.000 . 7.000 4.902 3.998 7.167 0.167 7 0 "[ . 1]" 1
42 1 16 PRO QD 1 55 GLU QB 4.000 . 5.600 4.641 3.787 5.680 0.080 8 0 "[ . 1]" 1
43 1 16 PRO QD 1 57 TRP HE1 5.000 . 7.000 3.393 2.313 3.893 . 0 0 "[ . 1]" 1
44 1 16 PRO QD 1 57 TRP HE3 5.000 . 7.000 6.403 6.031 6.908 . 0 0 "[ . 1]" 1
45 1 16 PRO QG 1 17 PHE H 4.000 . 5.600 4.418 4.205 4.652 . 0 0 "[ . 1]" 1
46 1 16 PRO HG3 1 17 PHE H 4.000 . 5.600 5.204 4.921 5.708 0.108 6 0 "[ . 1]" 1
47 1 16 PRO HG2 1 17 PHE H 4.000 . 5.600 4.894 4.450 5.648 0.048 1 0 "[ . 1]" 1
48 1 17 PHE QB 1 41 VAL MG2 5.000 . 7.000 6.537 5.956 7.170 0.170 7 0 "[ . 1]" 1
49 1 20 LYS HB2 1 65 PHE QE 4.000 . 5.600 5.573 5.008 5.744 0.144 7 0 "[ . 1]" 1
50 1 21 PHE H 1 21 PHE QB 3.000 . 4.200 2.437 2.418 2.452 . 0 0 "[ . 1]" 1
51 1 21 PHE H 1 21 PHE HB3 3.000 . 4.200 3.662 3.646 3.674 . 0 0 "[ . 1]" 1
52 1 21 PHE H 1 21 PHE HB2 3.000 . 4.200 2.475 2.454 2.490 . 0 0 "[ . 1]" 1
53 1 21 PHE H 1 21 PHE QD 4.000 . 5.600 2.691 2.626 2.743 . 0 0 "[ . 1]" 1
54 1 21 PHE HB3 1 22 ILE H 4.000 . 5.600 4.409 4.351 4.430 . 0 0 "[ . 1]" 1
55 1 21 PHE HB2 1 22 ILE H 4.000 . 5.600 3.918 3.777 3.990 . 0 0 "[ . 1]" 1
56 1 21 PHE QD 1 22 ILE H 5.000 . 7.000 4.862 4.784 4.900 . 0 0 "[ . 1]" 1
57 1 21 PHE H 1 22 ILE HA 5.000 . 7.000 4.760 4.683 4.854 . 0 0 "[ . 1]" 1
58 1 21 PHE QB 1 22 ILE HA 5.000 . 7.000 4.193 4.134 4.228 . 0 0 "[ . 1]" 1
59 1 21 PHE QB 1 22 ILE HB 5.000 . 7.000 5.735 5.554 6.156 . 0 0 "[ . 1]" 1
60 1 21 PHE QB 1 22 ILE QG 5.000 . 7.000 4.250 3.895 5.153 . 0 0 "[ . 1]" 1
61 1 22 ILE H 1 22 ILE HB 3.000 . 4.200 2.629 2.495 3.651 . 0 0 "[ . 1]" 1
62 1 22 ILE H 1 22 ILE HG13 3.000 . 4.200 2.363 2.239 3.011 . 0 0 "[ . 1]" 1
63 1 22 ILE H 1 22 ILE HG12 3.000 . 4.200 3.466 2.109 3.664 . 0 0 "[ . 1]" 1
64 1 22 ILE HA 1 22 ILE QG 3.000 . 4.200 2.527 2.420 3.322 . 0 0 "[ . 1]" 1
65 1 22 ILE QG 1 22 ILE MG 3.000 . 4.200 2.317 2.315 2.318 . 0 0 "[ . 1]" 1
66 1 22 ILE HA 1 22 ILE MG 3.000 . 4.200 2.353 2.319 2.386 . 0 0 "[ . 1]" 1
67 1 22 ILE HA 1 22 ILE MD 4.000 . 5.600 3.898 3.856 4.172 . 0 0 "[ . 1]" 1
68 1 22 ILE HB 1 22 ILE MD 2.000 . 2.800 2.370 2.311 2.419 . 0 0 "[ . 1]" 1
69 1 22 ILE MD 1 22 ILE MG 3.000 . 4.200 1.938 1.842 2.039 . 0 0 "[ . 1]" 1
70 1 22 ILE H 1 65 PHE QB 5.000 . 7.000 6.747 6.282 7.042 0.042 6 0 "[ . 1]" 1
71 1 22 ILE QG 1 65 PHE QE 4.000 . 4.200 3.917 2.586 4.260 0.060 3 0 "[ . 1]" 1
72 1 22 ILE MG 1 65 PHE QE 4.000 . 5.600 3.520 2.337 4.535 . 0 0 "[ . 1]" 1
73 1 22 ILE MD 1 65 PHE QB 5.000 . 7.000 4.073 3.310 4.593 . 0 0 "[ . 1]" 1
74 1 22 ILE MD 1 65 PHE QE 3.000 . 4.200 3.157 2.700 3.647 . 0 0 "[ . 1]" 1
75 1 22 ILE H 1 23 LYS H 4.000 . 5.600 4.458 4.176 4.634 . 0 0 "[ . 1]" 1
76 1 22 ILE HA 1 23 LYS H 3.000 . 4.200 2.163 2.141 2.254 . 0 0 "[ . 1]" 1
77 1 22 ILE QG 1 23 LYS H 4.000 . 5.600 4.179 3.894 4.349 . 0 0 "[ . 1]" 1
78 1 22 ILE MG 1 23 LYS H 4.000 . 5.600 2.924 2.692 3.692 . 0 0 "[ . 1]" 1
79 1 23 LYS H 1 23 LYS HB3 3.000 . 4.200 2.798 2.497 3.687 . 0 0 "[ . 1]" 1
80 1 23 LYS H 1 23 LYS HB2 3.000 . 4.200 2.783 2.502 3.734 . 0 0 "[ . 1]" 1
81 1 23 LYS QE 1 23 LYS QG 2.000 . 2.800 2.259 2.137 2.330 . 0 0 "[ . 1]" 1
82 1 23 LYS QD 1 23 LYS QE 2.000 . 2.800 2.041 2.006 2.091 . 0 0 "[ . 1]" 1
83 1 22 ILE HA 1 24 GLU H 3.000 . 4.200 3.928 3.713 4.055 . 0 0 "[ . 1]" 1
84 1 22 ILE MG 1 24 GLU H 3.000 . 4.200 3.063 2.814 4.331 0.131 4 0 "[ . 1]" 1
85 1 23 LYS H 1 24 GLU H 3.000 . 4.200 2.280 2.047 2.581 . 0 0 "[ . 1]" 1
86 1 23 LYS H 1 24 GLU QB 4.000 . 5.600 4.649 4.429 4.890 . 0 0 "[ . 1]" 1
87 1 24 GLU H 1 24 GLU QB 3.000 . 4.200 2.651 2.610 2.717 . 0 0 "[ . 1]" 1
88 1 24 GLU HA 1 24 GLU QG 3.000 . 4.200 2.465 2.399 2.942 . 0 0 "[ . 1]" 1
89 1 22 ILE MG 1 25 LEU H 5.000 . 7.000 4.551 4.167 6.501 . 0 0 "[ . 1]" 1
90 1 24 GLU HA 1 25 LEU H 3.000 . 4.200 2.271 2.235 2.381 . 0 0 "[ . 1]" 1
91 1 24 GLU QB 1 25 LEU H 3.000 . 4.200 2.708 2.508 2.835 . 0 0 "[ . 1]" 1
92 1 25 LEU HA 1 25 LEU HG 3.000 . 4.200 2.601 2.258 3.621 . 0 0 "[ . 1]" 1
93 1 25 LEU HA 1 25 LEU QD 4.000 . 5.600 2.867 2.267 3.449 . 0 0 "[ . 1]" 1
94 1 25 LEU H 1 25 LEU QD 3.000 . 4.200 3.810 2.873 3.939 . 0 0 "[ . 1]" 1
95 1 25 LEU MD1 1 62 VAL HA 4.000 . 5.600 2.851 2.057 3.995 . 0 0 "[ . 1]" 1
96 1 25 LEU MD2 1 62 VAL HA 5.000 . 7.000 3.613 2.323 4.493 . 0 0 "[ . 1]" 1
97 1 25 LEU H 1 26 ARG H 4.000 . 5.600 4.204 4.031 4.315 . 0 0 "[ . 1]" 1
98 1 25 LEU HG 1 26 ARG H 3.000 . 4.200 3.515 3.321 4.254 0.054 1 0 "[ . 1]" 1
99 1 25 LEU QD 1 26 ARG H 3.000 . 4.200 3.155 2.434 3.713 . 0 0 "[ . 1]" 1
100 1 26 ARG HA 1 26 ARG QB 2.000 . 2.800 2.387 2.346 2.425 . 0 0 "[ . 1]" 1
101 1 26 ARG HA 1 26 ARG QG 3.000 . 4.200 2.563 2.359 2.999 . 0 0 "[ . 1]" 1
102 1 26 ARG HA 1 26 ARG QD 3.000 . 4.200 3.470 2.052 4.220 0.020 6 0 "[ . 1]" 1
103 1 26 ARG HA 1 26 ARG HD3 4.000 . 5.600 4.032 2.150 4.707 . 0 0 "[ . 1]" 1
104 1 26 ARG HA 1 26 ARG HD2 4.000 . 5.600 3.974 2.062 4.842 . 0 0 "[ . 1]" 1
105 1 26 ARG QB 1 26 ARG QD 3.000 . 4.200 2.268 2.125 2.727 . 0 0 "[ . 1]" 1
106 1 26 ARG QB 1 27 VAL H 4.000 . 5.600 2.983 2.769 3.757 . 0 0 "[ . 1]" 1
107 1 27 VAL H 1 27 VAL HB 3.000 . 4.200 2.755 2.616 3.819 . 0 0 "[ . 1]" 1
108 1 27 VAL HA 1 27 VAL MG1 3.000 . 4.200 2.369 2.296 2.424 . 0 0 "[ . 1]" 1
109 1 27 VAL HA 1 27 VAL MG2 3.000 . 4.200 2.513 2.365 3.208 . 0 0 "[ . 1]" 1
110 1 27 VAL H 1 28 ILE H 4.000 . 5.600 4.381 4.348 4.452 . 0 0 "[ . 1]" 1
111 1 27 VAL HA 1 28 ILE H 3.000 . 4.200 2.191 2.169 2.290 . 0 0 "[ . 1]" 1
112 1 27 VAL QG 1 28 ILE H 4.000 . 5.600 2.693 2.542 3.332 . 0 0 "[ . 1]" 1
113 1 27 VAL MG1 1 28 ILE H 4.000 . 5.600 2.765 2.568 3.765 . 0 0 "[ . 1]" 1
114 1 27 VAL MG2 1 28 ILE H 4.000 . 5.600 4.050 3.716 4.115 . 0 0 "[ . 1]" 1
115 1 27 VAL H 1 28 ILE HB 5.000 . 7.000 6.409 6.283 6.592 . 0 0 "[ . 1]" 1
116 1 28 ILE H 1 28 ILE HB 3.000 . 4.200 2.697 2.532 3.800 . 0 0 "[ . 1]" 1
117 1 28 ILE H 1 28 ILE QG 4.000 . 5.600 2.594 2.204 2.767 . 0 0 "[ . 1]" 1
118 1 28 ILE HA 1 28 ILE QG 3.000 . 4.200 2.580 2.426 3.318 . 0 0 "[ . 1]" 1
119 1 28 ILE H 1 28 ILE MG 3.000 . 4.200 3.737 2.909 3.853 . 0 0 "[ . 1]" 1
120 1 28 ILE HA 1 28 ILE MG 3.000 . 4.200 2.444 2.370 2.471 . 0 0 "[ . 1]" 1
121 1 28 ILE HA 1 28 ILE MD 3.000 . 4.200 3.728 2.179 4.166 . 0 0 "[ . 1]" 1
122 1 28 ILE HB 1 28 ILE MD 2.000 . 2.800 2.459 2.266 3.205 0.405 6 0 "[ . 1]" 1
123 1 28 ILE MG 1 29 GLU H 4.000 . 5.600 2.826 2.595 3.749 . 0 0 "[ . 1]" 1
124 1 28 ILE MD 1 29 GLU H 4.000 . 5.600 4.989 3.702 5.260 . 0 0 "[ . 1]" 1
125 1 29 GLU H 1 29 GLU QB 3.000 . 4.200 2.373 2.251 2.448 . 0 0 "[ . 1]" 1
126 1 30 SER H 1 30 SER QB 3.000 . 4.200 2.646 2.547 2.789 . 0 0 "[ . 1]" 1
127 1 30 SER H 1 30 SER HB3 3.000 . 4.200 2.733 2.606 2.927 . 0 0 "[ . 1]" 1
128 1 30 SER H 1 30 SER HB2 3.000 . 4.200 3.557 3.511 3.595 . 0 0 "[ . 1]" 1
129 1 30 SER QB 1 31 GLY H 3.000 . 4.200 3.208 2.945 3.378 . 0 0 "[ . 1]" 1
130 1 2 ALA H 1 32 PRO QD 5.000 . 7.000 6.456 4.918 7.062 0.062 7 0 "[ . 1]" 1
131 1 5 LEU QD 1 33 HIS HA 3.000 . 4.200 3.912 2.162 4.403 0.203 6 0 "[ . 1]" 1
132 1 5 LEU QB 1 33 HIS QB 4.000 . 5.600 2.854 1.970 4.395 . 0 0 "[ . 1]" 1
133 1 5 LEU QD 1 33 HIS QB 4.000 . 5.600 2.410 1.915 3.452 . 0 0 "[ . 1]" 1
134 1 6 ARG H 1 33 HIS QB 5.000 . 7.000 4.495 2.928 5.097 . 0 0 "[ . 1]" 1
135 1 30 SER HA 1 33 HIS H 5.000 . 7.000 5.984 5.714 6.499 . 0 0 "[ . 1]" 1
136 1 33 HIS HA 1 33 HIS QB 2.000 . 2.800 2.401 2.372 2.438 . 0 0 "[ . 1]" 1
137 1 33 HIS QB 1 33 HIS HD2 3.000 . 4.200 2.665 2.629 2.735 . 0 0 "[ . 1]" 1
138 1 30 SER HA 1 34 CYS H 4.000 . 5.600 4.092 3.747 4.500 . 0 0 "[ . 1]" 1
139 1 30 SER HA 1 34 CYS QB 4.000 . 5.600 2.261 1.955 2.533 . 0 0 "[ . 1]" 1
140 1 30 SER QB 1 34 CYS QB 4.000 . 5.600 2.681 2.062 3.040 . 0 0 "[ . 1]" 1
141 1 31 GLY H 1 34 CYS H 4.000 . 5.600 4.911 4.702 5.039 . 0 0 "[ . 1]" 1
142 1 33 HIS H 1 34 CYS H 4.000 . 5.600 2.644 2.372 2.777 . 0 0 "[ . 1]" 1
143 1 33 HIS QB 1 34 CYS H 3.000 . 4.200 2.773 2.636 3.436 . 0 0 "[ . 1]" 1
144 1 33 HIS HD2 1 34 CYS H 5.000 . 7.000 5.577 4.832 6.080 . 0 0 "[ . 1]" 1
145 1 30 SER QB 1 35 ALA MB 5.000 . 7.000 4.737 4.520 4.984 . 0 0 "[ . 1]" 1
146 1 30 SER QB 1 36 ASN H 4.000 . 5.600 3.572 2.802 3.920 . 0 0 "[ . 1]" 1
147 1 30 SER QB 1 36 ASN HA 4.000 . 5.600 3.372 2.676 4.425 . 0 0 "[ . 1]" 1
148 1 36 ASN H 1 36 ASN QB 3.000 . 4.200 2.630 2.376 2.949 . 0 0 "[ . 1]" 1
149 1 29 GLU HA 1 37 THR MG 3.000 . 4.200 2.863 2.304 3.315 . 0 0 "[ . 1]" 1
150 1 29 GLU QG 1 37 THR MG 4.000 . 5.600 4.348 3.364 5.107 . 0 0 "[ . 1]" 1
151 1 30 SER H 1 37 THR MG 4.000 . 5.600 2.769 1.967 3.573 . 0 0 "[ . 1]" 1
152 1 37 THR HA 1 37 THR MG 3.000 . 4.200 2.375 2.290 2.434 . 0 0 "[ . 1]" 1
153 1 28 ILE H 1 38 GLU H 5.000 . 7.000 3.765 3.411 4.269 . 0 0 "[ . 1]" 1
154 1 28 ILE HB 1 38 GLU H 5.000 . 7.000 3.465 2.910 5.202 . 0 0 "[ . 1]" 1
155 1 37 THR HA 1 38 GLU H 3.000 . 4.200 2.335 2.241 2.442 . 0 0 "[ . 1]" 1
156 1 37 THR MG 1 38 GLU H 4.000 . 5.600 3.035 2.281 3.784 . 0 0 "[ . 1]" 1
157 1 38 GLU H 1 38 GLU QB 3.000 . 4.200 2.626 2.480 3.197 . 0 0 "[ . 1]" 1
158 1 38 GLU HA 1 38 GLU QB 2.000 . 2.800 2.354 2.180 2.414 . 0 0 "[ . 1]" 1
159 1 38 GLU H 1 38 GLU QG 4.000 . 5.600 2.799 2.369 3.145 . 0 0 "[ . 1]" 1
160 1 38 GLU HA 1 38 GLU QG 3.000 . 4.200 2.578 2.412 3.344 . 0 0 "[ . 1]" 1
161 1 39 ILE H 1 39 ILE HB 3.000 . 4.200 2.628 2.614 2.654 . 0 0 "[ . 1]" 1
162 1 39 ILE H 1 39 ILE QG 4.000 . 5.600 2.783 2.749 2.827 . 0 0 "[ . 1]" 1
163 1 39 ILE HA 1 39 ILE QG 3.000 . 4.200 2.441 2.431 2.447 . 0 0 "[ . 1]" 1
164 1 39 ILE H 1 39 ILE MG 4.000 . 5.600 3.847 3.842 3.859 . 0 0 "[ . 1]" 1
165 1 39 ILE HA 1 39 ILE MG 3.000 . 4.200 2.421 2.374 2.456 . 0 0 "[ . 1]" 1
166 1 39 ILE H 1 39 ILE MD 4.000 . 5.600 3.942 3.910 3.984 . 0 0 "[ . 1]" 1
167 1 39 ILE HB 1 39 ILE MD 2.000 . 2.800 2.392 2.288 2.425 . 0 0 "[ . 1]" 1
168 1 8 GLN QG 1 40 ILE MG 4.000 . 5.600 5.358 4.641 5.684 0.084 6 0 "[ . 1]" 1
169 1 8 GLN HE21 1 40 ILE MG 4.000 . 5.600 5.334 4.180 5.653 0.053 6 0 "[ . 1]" 1
170 1 8 GLN HE22 1 40 ILE MG 4.000 . 5.600 4.392 3.159 4.850 . 0 0 "[ . 1]" 1
171 1 39 ILE H 1 40 ILE H 4.000 . 5.600 4.378 4.363 4.394 . 0 0 "[ . 1]" 1
172 1 39 ILE HA 1 40 ILE H 3.000 . 4.200 2.196 2.176 2.213 . 0 0 "[ . 1]" 1
173 1 39 ILE MD 1 40 ILE H 4.000 . 5.600 5.146 5.110 5.173 . 0 0 "[ . 1]" 1
174 1 40 ILE HA 1 40 ILE HG13 3.000 . 4.200 2.398 2.329 2.438 . 0 0 "[ . 1]" 1
175 1 40 ILE HA 1 40 ILE HG12 3.000 . 4.200 3.221 3.124 3.281 . 0 0 "[ . 1]" 1
176 1 40 ILE HA 1 40 ILE QG 3.000 . 4.200 2.336 2.268 2.376 . 0 0 "[ . 1]" 1
177 1 40 ILE HA 1 40 ILE MG 3.000 . 4.200 3.203 3.199 3.208 . 0 0 "[ . 1]" 1
178 1 40 ILE HB 1 40 ILE MD 3.000 . 4.200 2.259 2.232 2.284 . 0 0 "[ . 1]" 1
179 1 22 ILE MG 1 41 VAL HA 4.000 . 5.600 3.626 3.396 4.308 . 0 0 "[ . 1]" 1
180 1 22 ILE HA 1 41 VAL HB 4.000 . 5.600 4.299 4.049 4.916 . 0 0 "[ . 1]" 1
181 1 22 ILE MG 1 41 VAL HB 3.000 . 4.200 2.200 2.104 2.327 . 0 0 "[ . 1]" 1
182 1 25 LEU HA 1 41 VAL HA 3.000 . 4.200 2.386 2.150 2.570 . 0 0 "[ . 1]" 1
183 1 25 LEU QD 1 41 VAL HA 3.000 . 4.200 3.602 2.671 3.966 . 0 0 "[ . 1]" 1
184 1 25 LEU HA 1 41 VAL HB 4.000 . 5.600 3.952 3.800 4.198 . 0 0 "[ . 1]" 1
185 1 25 LEU HA 1 41 VAL MG1 4.000 . 5.600 3.202 2.863 3.598 . 0 0 "[ . 1]" 1
186 1 26 ARG H 1 41 VAL HA 3.000 . 4.200 2.897 2.765 3.035 . 0 0 "[ . 1]" 1
187 1 40 ILE HA 1 41 VAL H 3.000 . 4.200 2.212 2.197 2.248 . 0 0 "[ . 1]" 1
188 1 41 VAL H 1 41 VAL HB 3.000 . 4.200 3.766 3.757 3.776 . 0 0 "[ . 1]" 1
189 1 41 VAL HA 1 41 VAL MG1 3.000 . 4.200 2.340 2.294 2.370 . 0 0 "[ . 1]" 1
190 1 24 GLU H 1 42 LYS H 4.000 . 5.600 3.341 3.176 3.628 . 0 0 "[ . 1]" 1
191 1 25 LEU HA 1 42 LYS H 4.000 . 5.600 3.104 2.557 3.288 . 0 0 "[ . 1]" 1
192 1 25 LEU QD 1 42 LYS H 4.000 . 5.600 4.621 4.091 4.897 . 0 0 "[ . 1]" 1
193 1 26 ARG H 1 42 LYS QB 3.000 . 4.200 4.484 4.424 4.536 0.336 7 0 "[ . 1]" 1
194 1 41 VAL H 1 42 LYS H 4.000 . 5.600 4.496 4.481 4.507 . 0 0 "[ . 1]" 1
195 1 41 VAL HA 1 42 LYS H 3.000 . 4.200 2.259 2.240 2.297 . 0 0 "[ . 1]" 1
196 1 41 VAL HB 1 42 LYS H 3.000 . 4.200 2.708 2.630 2.765 . 0 0 "[ . 1]" 1
197 1 41 VAL MG2 1 42 LYS H 4.000 . 5.600 3.710 3.632 3.763 . 0 0 "[ . 1]" 1
198 1 41 VAL MG2 1 42 LYS HA 5.000 . 7.000 3.973 3.873 4.061 . 0 0 "[ . 1]" 1
199 1 41 VAL HA 1 42 LYS QB 4.000 . 5.600 3.927 3.895 3.963 . 0 0 "[ . 1]" 1
200 1 41 VAL HB 1 42 LYS QG 5.000 . 7.000 6.074 5.975 6.186 . 0 0 "[ . 1]" 1
201 1 42 LYS H 1 42 LYS QB 3.000 . 4.200 2.414 2.375 2.443 . 0 0 "[ . 1]" 1
202 1 42 LYS H 1 42 LYS QG 3.000 . 4.200 4.053 4.002 4.096 . 0 0 "[ . 1]" 1
203 1 21 PHE QB 1 43 LEU QD 5.000 . 7.000 2.419 2.204 2.665 . 0 0 "[ . 1]" 1
204 1 22 ILE H 1 43 LEU HA 4.000 . 5.600 4.575 4.439 4.922 . 0 0 "[ . 1]" 1
205 1 22 ILE HA 1 43 LEU HA 3.000 . 4.200 2.268 2.133 2.399 . 0 0 "[ . 1]" 1
206 1 22 ILE QG 1 43 LEU HA 5.000 . 7.000 3.909 3.634 5.167 . 0 0 "[ . 1]" 1
207 1 22 ILE H 1 43 LEU QD 3.000 . 4.200 3.563 3.146 3.984 . 0 0 "[ . 1]" 1
208 1 22 ILE HA 1 43 LEU QD 3.000 . 4.200 2.509 2.087 2.926 . 0 0 "[ . 1]" 1
209 1 22 ILE H 1 43 LEU HG 5.000 . 7.000 5.327 3.787 6.486 . 0 0 "[ . 1]" 1
210 1 22 ILE HA 1 43 LEU HG 4.000 . 5.600 3.935 2.922 4.882 . 0 0 "[ . 1]" 1
211 1 23 LYS H 1 43 LEU HA 3.000 . 4.200 2.753 2.526 3.025 . 0 0 "[ . 1]" 1
212 1 23 LYS H 1 43 LEU QD 3.000 . 4.200 3.910 3.615 4.242 0.042 1 0 "[ . 1]" 1
213 1 24 GLU H 1 43 LEU HA 4.000 . 5.600 4.496 4.361 4.724 . 0 0 "[ . 1]" 1
214 1 41 VAL MG2 1 43 LEU H 5.000 . 7.000 4.409 4.249 4.532 . 0 0 "[ . 1]" 1
215 1 42 LYS H 1 43 LEU H 4.000 . 5.600 4.318 4.286 4.344 . 0 0 "[ . 1]" 1
216 1 42 LYS HA 1 43 LEU H 2.000 . 2.800 2.130 2.118 2.146 . 0 0 "[ . 1]" 1
217 1 42 LYS QG 1 43 LEU H 3.000 . 4.200 3.021 2.885 3.235 . 0 0 "[ . 1]" 1
218 1 43 LEU H 1 43 LEU QB 3.000 . 4.200 2.310 2.147 2.475 . 0 0 "[ . 1]" 1
219 1 43 LEU HA 1 43 LEU HG 3.000 . 4.200 2.907 2.333 3.640 . 0 0 "[ . 1]" 1
220 1 43 LEU H 1 43 LEU QD 3.000 . 4.200 2.880 2.466 3.171 . 0 0 "[ . 1]" 1
221 1 43 LEU H 1 43 LEU MD1 5.000 . 7.000 3.348 2.548 4.001 . 0 0 "[ . 1]" 1
222 1 43 LEU H 1 43 LEU MD2 5.000 . 7.000 3.619 2.489 4.232 . 0 0 "[ . 1]" 1
223 1 43 LEU HA 1 43 LEU QD 3.000 . 4.200 2.262 1.984 2.574 . 0 0 "[ . 1]" 1
224 1 43 LEU QB 1 43 LEU QD 2.000 . 2.800 1.941 1.913 2.045 . 0 0 "[ . 1]" 1
225 1 23 LYS QB 1 44 SER H 4.000 . 5.600 3.698 3.172 4.402 . 0 0 "[ . 1]" 1
226 1 23 LYS QD 1 44 SER HA 3.000 . 4.200 3.378 2.264 4.359 0.159 7 0 "[ . 1]" 1
227 1 23 LYS QB 1 44 SER QB 3.000 . 4.200 3.180 2.471 3.987 . 0 0 "[ . 1]" 1
228 1 43 LEU QB 1 44 SER H 3.000 . 4.200 2.648 2.575 2.760 . 0 0 "[ . 1]" 1
229 1 43 LEU QD 1 44 SER H 4.000 . 5.600 3.376 2.235 3.747 . 0 0 "[ . 1]" 1
230 1 43 LEU QB 1 44 SER HA 5.000 . 7.000 4.510 4.478 4.524 . 0 0 "[ . 1]" 1
231 1 44 SER QB 1 45 ASP QB 4.000 . 5.600 4.838 3.877 5.202 . 0 0 "[ . 1]" 1
232 1 42 LYS QG 1 46 GLY H 3.000 . 4.200 4.088 3.881 4.298 0.098 1 0 "[ . 1]" 1
233 1 42 LYS QD 1 46 GLY H 4.000 . 5.600 5.186 3.842 5.706 0.106 8 0 "[ . 1]" 1
234 1 42 LYS QG 1 46 GLY QA 4.000 . 5.600 3.493 3.140 3.905 . 0 0 "[ . 1]" 1
235 1 47 ARG H 1 47 ARG QB 3.000 . 4.200 2.437 2.259 2.515 . 0 0 "[ . 1]" 1
236 1 47 ARG HA 1 47 ARG QB 2.000 . 2.800 2.379 2.340 2.512 . 0 0 "[ . 1]" 1
237 1 47 ARG HA 1 47 ARG QG 3.000 . 4.200 2.769 2.371 3.014 . 0 0 "[ . 1]" 1
238 1 47 ARG HA 1 47 ARG QD 4.000 . 5.600 2.523 2.053 4.194 . 0 0 "[ . 1]" 1
239 1 40 ILE QG 1 48 GLU HA 3.000 . 4.200 3.589 3.547 3.643 . 0 0 "[ . 1]" 1
240 1 40 ILE MG 1 48 GLU QB 4.000 . 5.600 4.199 3.989 4.369 . 0 0 "[ . 1]" 1
241 1 41 VAL MG2 1 48 GLU HA 5.000 . 7.000 3.821 3.592 3.987 . 0 0 "[ . 1]" 1
242 1 42 LYS HA 1 48 GLU H 5.000 . 7.000 5.017 4.794 5.185 . 0 0 "[ . 1]" 1
243 1 42 LYS HA 1 48 GLU HA 4.000 . 5.600 2.642 2.406 2.816 . 0 0 "[ . 1]" 1
244 1 43 LEU H 1 48 GLU HA 4.000 . 5.600 3.409 3.244 3.532 . 0 0 "[ . 1]" 1
245 1 43 LEU QD 1 48 GLU HA 5.000 . 7.000 4.156 3.840 4.459 . 0 0 "[ . 1]" 1
246 1 47 ARG HA 1 48 GLU H 3.000 . 4.200 2.238 2.167 2.348 . 0 0 "[ . 1]" 1
247 1 47 ARG QB 1 48 GLU H 5.000 . 7.000 3.061 2.445 3.769 . 0 0 "[ . 1]" 1
248 1 47 ARG QD 1 48 GLU H 3.000 . 4.200 3.590 2.266 4.387 0.187 9 0 "[ . 1]" 1
249 1 48 GLU H 1 48 GLU QB 3.000 . 4.200 2.517 2.412 2.625 . 0 0 "[ . 1]" 1
250 1 48 GLU HA 1 48 GLU QB 2.000 . 2.800 2.384 2.369 2.406 . 0 0 "[ . 1]" 1
251 1 48 GLU H 1 48 GLU QG 2.000 . 2.800 2.854 2.809 2.913 0.113 9 0 "[ . 1]" 1
252 1 48 GLU HA 1 48 GLU QG 3.000 . 4.200 2.420 2.399 2.434 . 0 0 "[ . 1]" 1
253 1 48 GLU HA 1 48 GLU HG3 4.000 . 5.600 3.023 2.899 3.076 . 0 0 "[ . 1]" 1
254 1 48 GLU HA 1 48 GLU HG2 4.000 . 5.600 2.548 2.537 2.559 . 0 0 "[ . 1]" 1
255 1 22 ILE MD 1 49 LEU QB 5.000 . 7.000 4.714 4.415 5.624 . 0 0 "[ . 1]" 1
256 1 22 ILE MD 1 49 LEU HB3 5.000 . 7.000 5.938 4.634 7.149 0.149 4 0 "[ . 1]" 1
257 1 22 ILE MD 1 49 LEU HB2 5.000 . 7.000 5.019 4.585 5.884 . 0 0 "[ . 1]" 1
258 1 40 ILE QG 1 49 LEU H 3.000 . 4.200 2.921 2.786 3.016 . 0 0 "[ . 1]" 1
259 1 40 ILE MG 1 49 LEU H 4.000 . 5.600 5.202 5.013 5.308 . 0 0 "[ . 1]" 1
260 1 40 ILE MD 1 49 LEU HA 4.000 . 5.600 4.560 4.263 4.741 . 0 0 "[ . 1]" 1
261 1 40 ILE MD 1 49 LEU QD 5.000 . 7.000 5.276 5.085 5.379 . 0 0 "[ . 1]" 1
262 1 41 VAL H 1 49 LEU H 3.000 . 4.200 2.799 2.732 2.900 . 0 0 "[ . 1]" 1
263 1 41 VAL MG2 1 49 LEU H 3.000 . 4.200 2.496 2.316 2.621 . 0 0 "[ . 1]" 1
264 1 41 VAL H 1 49 LEU QB 4.000 . 5.600 3.392 3.288 3.513 . 0 0 "[ . 1]" 1
265 1 42 LYS H 1 49 LEU H 5.000 . 7.000 5.085 4.956 5.223 . 0 0 "[ . 1]" 1
266 1 42 LYS HA 1 49 LEU H 4.000 . 5.600 3.890 3.670 4.101 . 0 0 "[ . 1]" 1
267 1 48 GLU HA 1 49 LEU H 3.000 . 4.200 2.167 2.153 2.179 . 0 0 "[ . 1]" 1
268 1 48 GLU QB 1 49 LEU H 3.000 . 4.200 3.111 3.032 3.158 . 0 0 "[ . 1]" 1
269 1 49 LEU H 1 49 LEU HG 4.000 . 5.600 3.112 2.919 4.459 . 0 0 "[ . 1]" 1
270 1 49 LEU H 1 49 LEU QD 4.000 . 5.600 3.512 3.435 3.956 . 0 0 "[ . 1]" 1
271 1 49 LEU HA 1 49 LEU QD 3.000 . 4.200 2.167 2.137 2.196 . 0 0 "[ . 1]" 1
272 1 9 CYS HA 1 50 CYS HB3 4.000 . 5.600 4.831 4.275 5.227 . 0 0 "[ . 1]" 1
273 1 9 CYS HA 1 50 CYS HB2 4.000 . 5.600 4.657 4.455 4.929 . 0 0 "[ . 1]" 1
274 1 9 CYS HA 1 50 CYS QB 3.000 . 4.200 4.200 3.914 4.327 0.127 2 0 "[ . 1]" 1
275 1 9 CYS QB 1 50 CYS QB 3.000 . 4.200 3.096 2.181 3.849 . 0 0 "[ . 1]" 1
276 1 12 THR MG 1 50 CYS H 5.000 . 7.000 5.679 5.059 6.428 . 0 0 "[ . 1]" 1
277 1 12 THR MG 1 50 CYS QB 4.000 . 5.600 3.350 2.404 4.168 . 0 0 "[ . 1]" 1
278 1 40 ILE QG 1 50 CYS H 4.000 . 5.600 4.253 3.911 4.548 . 0 0 "[ . 1]" 1
279 1 40 ILE HA 1 50 CYS HA 3.000 . 4.200 2.495 2.326 2.671 . 0 0 "[ . 1]" 1
280 1 40 ILE MG 1 50 CYS HA 5.000 . 7.000 4.768 4.503 4.898 . 0 0 "[ . 1]" 1
281 1 40 ILE QG 1 50 CYS QB 3.000 . 4.200 4.128 3.589 4.294 0.094 10 0 "[ . 1]" 1
282 1 41 VAL H 1 50 CYS HA 4.000 . 5.600 3.808 3.594 3.975 . 0 0 "[ . 1]" 1
283 1 49 LEU QB 1 50 CYS H 4.000 . 5.600 2.937 2.772 3.765 . 0 0 "[ . 1]" 1
284 1 50 CYS H 1 50 CYS QB 3.000 . 4.200 2.402 2.354 2.454 . 0 0 "[ . 1]" 1
285 1 50 CYS H 1 50 CYS HB3 3.000 . 4.200 2.980 2.501 3.675 . 0 0 "[ . 1]" 1
286 1 50 CYS H 1 50 CYS HB2 3.000 . 4.200 2.728 2.461 2.931 . 0 0 "[ . 1]" 1
287 1 12 THR HB 1 51 LEU HA 5.000 . 7.000 4.287 2.825 5.384 . 0 0 "[ . 1]" 1
288 1 13 TYR H 1 51 LEU QB 5.000 . 7.000 6.116 4.853 7.058 0.058 3 0 "[ . 1]" 1
289 1 50 CYS HA 1 51 LEU H 3.000 . 4.200 2.151 2.137 2.165 . 0 0 "[ . 1]" 1
290 1 50 CYS HB3 1 51 LEU H 3.000 . 4.200 3.787 3.106 4.212 0.012 8 0 "[ . 1]" 1
291 1 50 CYS HB2 1 51 LEU H 3.000 . 4.200 4.192 4.135 4.262 0.062 8 0 "[ . 1]" 1
292 1 50 CYS QB 1 51 LEU HA 4.000 . 5.600 4.471 4.212 4.672 . 0 0 "[ . 1]" 1
293 1 51 LEU H 1 51 LEU QB 3.000 . 4.200 2.555 2.519 2.572 . 0 0 "[ . 1]" 1
294 1 51 LEU H 1 51 LEU HG 3.000 . 4.200 2.841 2.760 2.907 . 0 0 "[ . 1]" 1
295 1 51 LEU HA 1 51 LEU HG 4.000 . 5.600 3.178 3.139 3.212 . 0 0 "[ . 1]" 1
296 1 51 LEU HA 1 51 LEU QD 3.000 . 4.200 2.156 2.100 2.193 . 0 0 "[ . 1]" 1
297 1 51 LEU HA 1 51 LEU MD1 3.000 . 4.200 3.865 3.853 3.872 . 0 0 "[ . 1]" 1
298 1 51 LEU HA 1 51 LEU MD2 3.000 . 4.200 2.167 2.109 2.205 . 0 0 "[ . 1]" 1
299 1 12 THR HB 1 52 ASP H 4.000 . 5.600 3.751 2.855 4.445 . 0 0 "[ . 1]" 1
300 1 12 THR HB 1 52 ASP QB 4.000 . 5.600 2.335 1.937 3.089 . 0 0 "[ . 1]" 1
301 1 12 THR MG 1 52 ASP QB 4.000 . 5.600 3.018 2.397 3.443 . 0 0 "[ . 1]" 1
302 1 51 LEU HA 1 52 ASP H 3.000 . 4.200 2.231 2.199 2.270 . 0 0 "[ . 1]" 1
303 1 51 LEU HG 1 52 ASP H 5.000 . 7.000 5.054 5.013 5.098 . 0 0 "[ . 1]" 1
304 1 52 ASP H 1 52 ASP QB 3.000 . 4.200 2.331 2.291 2.439 . 0 0 "[ . 1]" 1
305 1 52 ASP H 1 52 ASP HB3 3.000 . 4.200 2.509 2.451 2.670 . 0 0 "[ . 1]" 1
306 1 52 ASP H 1 52 ASP HB2 3.000 . 4.200 2.771 2.718 2.828 . 0 0 "[ . 1]" 1
307 1 51 LEU QD 1 53 PRO QD 4.000 . 5.600 5.285 5.117 5.436 . 0 0 "[ . 1]" 1
308 1 52 ASP H 1 53 PRO HA 5.000 . 7.000 5.260 5.072 5.370 . 0 0 "[ . 1]" 1
309 1 52 ASP H 1 53 PRO QD 4.000 . 5.600 4.188 4.104 4.250 . 0 0 "[ . 1]" 1
310 1 52 ASP QB 1 53 PRO QD 4.000 . 5.600 3.586 3.541 3.641 . 0 0 "[ . 1]" 1
311 1 52 ASP QB 1 54 LYS H 4.000 . 5.600 3.742 3.631 3.835 . 0 0 "[ . 1]" 1
312 1 52 ASP QB 1 54 LYS HA 5.000 . 7.000 5.916 5.838 6.019 . 0 0 "[ . 1]" 1
313 1 52 ASP QB 1 54 LYS QB 4.000 . 5.600 3.960 3.727 4.625 . 0 0 "[ . 1]" 1
314 1 53 PRO HA 1 54 LYS H 3.000 . 4.200 3.460 3.431 3.484 . 0 0 "[ . 1]" 1
315 1 54 LYS H 1 54 LYS QB 3.000 . 4.200 2.389 2.361 2.446 . 0 0 "[ . 1]" 1
316 1 54 LYS H 1 55 GLU H 3.000 . 4.200 2.656 2.596 2.730 . 0 0 "[ . 1]" 1
317 1 55 GLU H 1 55 GLU QB 3.000 . 4.200 2.429 2.320 2.469 . 0 0 "[ . 1]" 1
318 1 55 GLU HA 1 55 GLU QG 3.000 . 4.200 2.788 2.296 2.904 . 0 0 "[ . 1]" 1
319 1 55 GLU QB 1 57 TRP HE1 4.000 . 5.600 3.044 2.522 5.640 0.040 7 0 "[ . 1]" 1
320 1 57 TRP HA 1 57 TRP HE3 3.000 . 4.200 4.044 2.707 4.248 0.048 2 0 "[ . 1]" 1
321 1 57 TRP QB 1 57 TRP HE3 3.000 . 4.200 2.529 2.378 2.818 . 0 0 "[ . 1]" 1
322 1 57 TRP HB3 1 57 TRP HE3 3.000 . 4.200 4.086 3.952 4.223 0.023 7 0 "[ . 1]" 1
323 1 57 TRP HB2 1 57 TRP HE3 3.000 . 4.200 2.554 2.397 2.862 . 0 0 "[ . 1]" 1
324 1 51 LEU QB 1 58 VAL QG 3.000 . 4.200 1.993 1.784 2.309 0.016 7 0 "[ . 1]" 1
325 1 51 LEU QD 1 58 VAL QG 3.000 . 4.200 2.210 2.009 2.541 . 0 0 "[ . 1]" 1
326 1 52 ASP H 1 58 VAL QG 4.000 . 5.600 2.707 2.232 3.016 . 0 0 "[ . 1]" 1
327 1 53 PRO HA 1 58 VAL QG 4.000 . 5.600 2.851 2.351 3.420 . 0 0 "[ . 1]" 1
328 1 55 GLU QB 1 58 VAL QG 3.000 . 4.200 1.965 1.876 2.109 . 0 0 "[ . 1]" 1
329 1 58 VAL H 1 58 VAL HB 3.000 . 4.200 2.446 2.435 2.454 . 0 0 "[ . 1]" 1
330 1 58 VAL HA 1 58 VAL MG1 3.000 . 4.200 2.500 2.433 2.547 . 0 0 "[ . 1]" 1
331 1 58 VAL HA 1 58 VAL MG2 3.000 . 4.200 2.361 2.337 2.383 . 0 0 "[ . 1]" 1
332 1 58 VAL H 1 59 GLN H 3.000 . 4.200 2.632 2.597 2.671 . 0 0 "[ . 1]" 1
333 1 58 VAL HB 1 59 GLN H 3.000 . 4.200 2.617 2.556 2.680 . 0 0 "[ . 1]" 1
334 1 58 VAL QG 1 59 GLN H 4.000 . 5.600 3.144 3.113 3.190 . 0 0 "[ . 1]" 1
335 1 59 GLN H 1 59 GLN QB 3.000 . 4.200 2.254 2.241 2.269 . 0 0 "[ . 1]" 1
336 1 59 GLN H 1 59 GLN QG 4.000 . 5.600 4.011 3.959 4.060 . 0 0 "[ . 1]" 1
337 1 59 GLN HA 1 59 GLN HG3 3.000 . 4.200 2.770 2.506 3.039 . 0 0 "[ . 1]" 1
338 1 59 GLN HA 1 59 GLN HG2 3.000 . 4.200 3.442 3.076 3.758 . 0 0 "[ . 1]" 1
339 1 59 GLN H 1 59 GLN QE 4.000 . 5.600 5.265 4.474 5.731 0.131 10 0 "[ . 1]" 1
340 1 57 TRP HA 1 60 ARG H 5.000 . 7.000 3.270 3.181 3.400 . 0 0 "[ . 1]" 1
341 1 57 TRP HA 1 60 ARG QB 4.000 . 5.600 2.672 2.525 2.819 . 0 0 "[ . 1]" 1
342 1 57 TRP QB 1 60 ARG QB 3.000 . 4.200 3.832 3.587 4.374 0.174 7 0 "[ . 1]" 1
343 1 57 TRP QB 1 60 ARG QG 3.000 . 4.200 4.294 4.226 4.342 0.142 5 0 "[ . 1]" 1
344 1 59 GLN H 1 60 ARG H 2.000 . 2.800 2.670 2.629 2.698 . 0 0 "[ . 1]" 1
345 1 59 GLN QG 1 60 ARG HA 4.000 . 5.600 3.769 3.620 3.846 . 0 0 "[ . 1]" 1
346 1 59 GLN H 1 60 ARG QG 4.000 . 5.600 4.347 4.271 4.472 . 0 0 "[ . 1]" 1
347 1 60 ARG H 1 60 ARG QB 3.000 . 4.200 2.404 2.372 2.424 . 0 0 "[ . 1]" 1
348 1 60 ARG H 1 60 ARG HB3 3.000 . 4.200 3.590 3.582 3.612 . 0 0 "[ . 1]" 1
349 1 60 ARG H 1 60 ARG HB2 3.000 . 4.200 2.442 2.407 2.463 . 0 0 "[ . 1]" 1
350 1 60 ARG H 1 60 ARG HG3 3.000 . 4.200 2.848 2.281 3.642 . 0 0 "[ . 1]" 1
351 1 60 ARG H 1 60 ARG HG2 3.000 . 4.200 2.996 2.260 3.541 . 0 0 "[ . 1]" 1
352 1 60 ARG HA 1 60 ARG QD 4.000 . 5.600 3.287 2.031 4.218 . 0 0 "[ . 1]" 1
353 1 60 ARG QB 1 60 ARG QD 3.000 . 4.200 2.399 2.122 2.714 . 0 0 "[ . 1]" 1
354 1 60 ARG H 1 60 ARG QD 4.000 . 5.600 3.805 3.609 4.396 . 0 0 "[ . 1]" 1
355 1 57 TRP HH2 1 61 VAL MG2 4.000 . 5.600 4.466 3.499 5.024 . 0 0 "[ . 1]" 1
356 1 57 TRP HZ3 1 61 VAL MG2 3.000 . 4.200 2.778 2.404 3.688 . 0 0 "[ . 1]" 1
357 1 58 VAL HA 1 61 VAL H 4.000 . 5.600 3.439 3.293 3.579 . 0 0 "[ . 1]" 1
358 1 58 VAL QG 1 61 VAL H 4.000 . 5.600 4.265 4.161 4.357 . 0 0 "[ . 1]" 1
359 1 58 VAL MG1 1 61 VAL H 4.000 . 5.600 4.534 4.419 4.628 . 0 0 "[ . 1]" 1
360 1 58 VAL MG2 1 61 VAL H 4.000 . 5.600 5.192 5.076 5.314 . 0 0 "[ . 1]" 1
361 1 58 VAL HA 1 61 VAL HB 4.000 . 5.600 2.953 2.688 3.138 . 0 0 "[ . 1]" 1
362 1 58 VAL HA 1 61 VAL QG 3.000 . 4.200 2.892 2.556 3.113 . 0 0 "[ . 1]" 1
363 1 58 VAL HB 1 61 VAL QG 4.000 . 5.600 5.192 4.945 5.377 . 0 0 "[ . 1]" 1
364 1 59 GLN H 1 61 VAL QG 4.000 . 5.600 4.905 4.715 4.993 . 0 0 "[ . 1]" 1
365 1 61 VAL HA 1 61 VAL QG 3.000 . 4.200 2.134 2.083 2.162 . 0 0 "[ . 1]" 1
366 1 59 GLN HA 1 62 VAL H 4.000 . 5.600 3.422 3.279 3.583 . 0 0 "[ . 1]" 1
367 1 61 VAL H 1 62 VAL H 3.000 . 4.200 2.708 2.633 2.821 . 0 0 "[ . 1]" 1
368 1 61 VAL HB 1 62 VAL H 3.000 . 4.200 2.547 2.473 2.588 . 0 0 "[ . 1]" 1
369 1 61 VAL H 1 62 VAL QG 4.000 . 5.600 4.110 3.796 4.236 . 0 0 "[ . 1]" 1
370 1 62 VAL H 1 62 VAL HB 3.000 . 4.200 2.587 2.434 3.652 . 0 0 "[ . 1]" 1
371 1 62 VAL H 1 62 VAL QG 3.000 . 4.200 2.183 1.989 2.272 . 0 0 "[ . 1]" 1
372 1 62 VAL H 1 62 VAL MG1 3.000 . 4.200 3.458 2.078 3.762 . 0 0 "[ . 1]" 1
373 1 62 VAL H 1 62 VAL MG2 3.000 . 4.200 2.382 2.108 3.802 . 0 0 "[ . 1]" 1
374 1 62 VAL HA 1 62 VAL QG 2.000 . 2.800 2.147 2.109 2.312 . 0 0 "[ . 1]" 1
375 1 62 VAL H 1 63 GLU H 4.000 . 5.600 2.734 2.536 2.820 . 0 0 "[ . 1]" 1
376 1 62 VAL HB 1 63 GLU H 3.000 . 4.200 2.802 2.516 3.998 . 0 0 "[ . 1]" 1
377 1 62 VAL QG 1 63 GLU H 3.000 . 4.200 2.893 1.966 3.135 . 0 0 "[ . 1]" 1
378 1 62 VAL QG 1 63 GLU HA 4.000 . 5.600 3.360 3.198 3.426 . 0 0 "[ . 1]" 1
379 1 62 VAL MG1 1 63 GLU HA 4.000 . 5.600 3.621 3.355 5.443 . 0 0 "[ . 1]" 1
380 1 62 VAL MG2 1 63 GLU HA 4.000 . 5.600 5.043 3.408 5.421 . 0 0 "[ . 1]" 1
381 1 62 VAL QG 1 63 GLU QG 4.000 . 5.600 3.527 2.433 4.834 . 0 0 "[ . 1]" 1
382 1 63 GLU HA 1 63 GLU QG 3.000 . 4.200 2.508 2.391 2.877 . 0 0 "[ . 1]" 1
383 1 59 GLN QG 1 64 LYS H 4.000 . 5.600 5.744 5.670 5.788 0.188 2 0 "[ . 1]" 1
384 1 60 ARG HA 1 64 LYS QB 3.000 . 4.200 4.359 4.251 4.517 0.317 9 0 "[ . 1]" 1
385 1 62 VAL H 1 64 LYS H 4.000 . 5.600 4.163 4.028 4.311 . 0 0 "[ . 1]" 1
386 1 62 VAL HA 1 64 LYS H 5.000 . 7.000 4.569 4.437 4.781 . 0 0 "[ . 1]" 1
387 1 62 VAL QG 1 64 LYS H 4.000 . 5.600 4.522 4.149 4.733 . 0 0 "[ . 1]" 1
388 1 63 GLU H 1 64 LYS H 3.000 . 4.200 2.666 2.602 2.767 . 0 0 "[ . 1]" 1
389 1 63 GLU HB3 1 64 LYS H 3.000 . 4.200 3.347 2.527 3.585 . 0 0 "[ . 1]" 1
390 1 63 GLU HB2 1 64 LYS H 3.000 . 4.200 2.900 2.599 3.886 . 0 0 "[ . 1]" 1
391 1 63 GLU HG3 1 64 LYS H 4.000 . 5.600 4.608 4.404 5.026 . 0 0 "[ . 1]" 1
392 1 63 GLU HG2 1 64 LYS H 4.000 . 5.600 4.670 3.647 5.091 . 0 0 "[ . 1]" 1
393 1 64 LYS H 1 64 LYS QB 3.000 . 4.200 2.272 2.228 2.335 . 0 0 "[ . 1]" 1
394 1 22 ILE H 1 65 PHE QE 4.000 . 5.600 3.506 3.106 4.035 . 0 0 "[ . 1]" 1
395 1 43 LEU QD 1 65 PHE QE 4.000 . 5.600 5.591 5.294 5.702 0.102 4 0 "[ . 1]" 1
396 1 62 VAL HA 1 65 PHE H 4.000 . 5.600 3.715 3.567 3.930 . 0 0 "[ . 1]" 1
397 1 62 VAL QG 1 65 PHE H 4.000 . 5.600 4.517 4.384 4.758 . 0 0 "[ . 1]" 1
398 1 62 VAL HA 1 65 PHE QB 5.000 . 7.000 2.979 2.721 3.253 . 0 0 "[ . 1]" 1
399 1 62 VAL QG 1 65 PHE QB 4.000 . 5.600 3.897 3.564 4.306 . 0 0 "[ . 1]" 1
400 1 62 VAL HA 1 65 PHE QD 4.000 . 5.600 4.090 3.646 4.365 . 0 0 "[ . 1]" 1
401 1 63 GLU QB 1 65 PHE H 4.000 . 5.600 4.811 4.729 4.906 . 0 0 "[ . 1]" 1
402 1 64 LYS H 1 65 PHE H 3.000 . 4.200 2.740 2.670 2.816 . 0 0 "[ . 1]" 1
403 1 64 LYS QB 1 65 PHE H 4.000 . 5.600 2.559 2.426 2.699 . 0 0 "[ . 1]" 1
404 1 64 LYS H 1 65 PHE QB 4.000 . 5.600 4.575 4.406 4.716 . 0 0 "[ . 1]" 1
405 1 65 PHE H 1 65 PHE HB3 3.000 . 4.200 3.248 2.504 3.573 . 0 0 "[ . 1]" 1
406 1 65 PHE H 1 65 PHE HB2 3.000 . 4.200 2.347 2.193 2.582 . 0 0 "[ . 1]" 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 44
_Distance_constraint_stats_list.Viol_count 83
_Distance_constraint_stats_list.Viol_total 70.980
_Distance_constraint_stats_list.Viol_max 0.276
_Distance_constraint_stats_list.Viol_rms 0.0464
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0161
_Distance_constraint_stats_list.Viol_average_violations_only 0.0855
_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 24 GLU 0.079 0.032 2 0 "[ . 1]"
1 26 ARG 0.000 0.000 . 0 "[ . 1]"
1 28 ILE 0.189 0.092 6 0 "[ . 1]"
1 38 GLU 0.189 0.092 6 0 "[ . 1]"
1 39 ILE 2.192 0.187 1 0 "[ . 1]"
1 40 ILE 0.000 0.000 . 0 "[ . 1]"
1 41 VAL 0.002 0.002 6 0 "[ . 1]"
1 42 LYS 0.079 0.032 2 0 "[ . 1]"
1 43 LEU 3.780 0.276 4 0 "[ . 1]"
1 46 GLY 0.000 0.000 . 0 "[ . 1]"
1 47 ARG 3.780 0.276 4 0 "[ . 1]"
1 49 LEU 0.002 0.002 6 0 "[ . 1]"
1 51 LEU 2.192 0.187 1 0 "[ . 1]"
1 52 ASP 0.258 0.077 10 0 "[ . 1]"
1 55 GLU 0.807 0.104 2 0 "[ . 1]"
1 56 ASN 0.000 0.000 . 0 "[ . 1]"
1 57 TRP 0.000 0.000 . 0 "[ . 1]"
1 58 VAL 0.000 0.000 . 0 "[ . 1]"
1 59 GLN 0.572 0.104 2 0 "[ . 1]"
1 60 ARG 0.000 0.000 . 0 "[ . 1]"
1 61 VAL 0.026 0.026 8 0 "[ . 1]"
1 62 VAL 0.000 0.000 . 0 "[ . 1]"
1 63 GLU 0.022 0.012 7 0 "[ . 1]"
1 64 LYS 0.000 0.000 . 0 "[ . 1]"
1 65 PHE 0.026 0.026 8 0 "[ . 1]"
1 66 LEU 0.000 0.000 . 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 24 GLU H 1 42 LYS O 2.000 . 2.500 2.351 2.192 2.532 0.032 2 0 "[ . 1]" 2
2 1 24 GLU N 1 42 LYS O 3.000 . 3.500 3.315 3.154 3.476 . 0 0 "[ . 1]" 2
3 1 26 ARG H 1 40 ILE O 2.000 . 2.500 2.010 1.908 2.055 . 0 0 "[ . 1]" 2
4 1 26 ARG N 1 40 ILE O 3.000 . 3.500 2.863 2.796 2.933 . 0 0 "[ . 1]" 2
5 1 28 ILE H 1 38 GLU O 2.000 . 2.500 1.969 1.767 2.132 0.033 7 0 "[ . 1]" 2
6 1 28 ILE N 1 38 GLU O 3.000 . 3.500 2.915 2.727 3.107 . 0 0 "[ . 1]" 2
7 1 28 ILE O 1 38 GLU H 2.000 . 2.500 2.303 2.035 2.592 0.092 6 0 "[ . 1]" 2
8 1 28 ILE O 1 38 GLU N 3.000 . 3.500 3.243 3.015 3.454 . 0 0 "[ . 1]" 2
9 1 39 ILE H 1 51 LEU O 2.000 . 2.500 2.616 2.501 2.687 0.187 1 0 "[ . 1]" 2
10 1 39 ILE N 1 51 LEU O 3.000 . 3.500 3.496 3.381 3.546 0.046 1 0 "[ . 1]" 2
11 1 26 ARG O 1 40 ILE H 2.000 . 2.500 2.018 1.895 2.219 . 0 0 "[ . 1]" 2
12 1 26 ARG O 1 40 ILE N 3.000 . 3.500 2.976 2.862 3.168 . 0 0 "[ . 1]" 2
13 1 41 VAL H 1 49 LEU O 2.000 . 2.500 1.927 1.798 2.055 0.002 6 0 "[ . 1]" 2
14 1 41 VAL N 1 49 LEU O 3.000 . 3.500 2.879 2.766 2.996 . 0 0 "[ . 1]" 2
15 1 24 GLU O 1 42 LYS H 2.000 . 2.500 1.823 1.782 1.898 0.018 9 0 "[ . 1]" 2
16 1 24 GLU O 1 42 LYS N 3.000 . 3.500 2.772 2.720 2.849 . 0 0 "[ . 1]" 2
17 1 43 LEU H 1 47 ARG O 2.000 . 2.500 1.721 1.707 1.757 0.093 3 0 "[ . 1]" 2
18 1 43 LEU N 1 47 ARG O 3.000 . 3.500 2.701 2.688 2.738 . 0 0 "[ . 1]" 2
19 1 43 LEU O 1 46 GLY H 2.000 . 2.500 1.907 1.875 1.964 . 0 0 "[ . 1]" 2
20 1 43 LEU O 1 46 GLY N 3.000 . 3.500 2.788 2.772 2.824 . 0 0 "[ . 1]" 2
21 1 43 LEU O 1 47 ARG H 2.000 . 2.500 2.753 2.718 2.776 0.276 4 0 "[ . 1]" 2
22 1 43 LEU O 1 47 ARG N 3.000 . 3.500 3.546 3.529 3.574 0.074 4 0 "[ . 1]" 2
23 1 41 VAL O 1 49 LEU H 2.000 . 2.500 2.034 1.909 2.183 . 0 0 "[ . 1]" 2
24 1 41 VAL O 1 49 LEU N 3.000 . 3.500 2.982 2.854 3.115 . 0 0 "[ . 1]" 2
25 1 39 ILE O 1 51 LEU H 2.000 . 2.500 1.716 1.684 1.746 0.116 1 0 "[ . 1]" 2
26 1 39 ILE O 1 51 LEU N 3.000 . 3.500 2.696 2.667 2.725 . 0 0 "[ . 1]" 2
27 1 52 ASP O 1 55 GLU H 2.000 . 2.500 2.350 2.094 2.577 0.077 10 0 "[ . 1]" 2
28 1 52 ASP O 1 55 GLU N 3.000 . 3.500 3.277 3.049 3.470 . 0 0 "[ . 1]" 2
29 1 55 GLU O 1 59 GLN H 2.000 . 2.500 2.508 2.168 2.604 0.104 2 0 "[ . 1]" 2
30 1 55 GLU O 1 59 GLN N 3.000 . 3.500 3.426 3.112 3.519 0.019 2 0 "[ . 1]" 2
31 1 56 ASN O 1 60 ARG H 2.000 . 2.500 2.265 1.993 2.438 . 0 0 "[ . 1]" 2
32 1 56 ASN O 1 60 ARG N 3.000 . 3.500 3.173 2.872 3.341 . 0 0 "[ . 1]" 2
33 1 57 TRP O 1 61 VAL H 2.000 . 2.500 2.218 2.038 2.340 . 0 0 "[ . 1]" 2
34 1 57 TRP O 1 61 VAL N 3.000 . 3.500 3.121 2.955 3.243 . 0 0 "[ . 1]" 2
35 1 58 VAL O 1 62 VAL H 2.000 . 2.500 2.102 1.963 2.340 . 0 0 "[ . 1]" 2
36 1 58 VAL O 1 62 VAL N 3.000 . 3.500 3.053 2.922 3.277 . 0 0 "[ . 1]" 2
37 1 59 GLN O 1 63 GLU H 2.000 . 2.500 1.853 1.788 1.931 0.012 7 0 "[ . 1]" 2
38 1 59 GLN O 1 63 GLU N 3.000 . 3.500 2.822 2.764 2.894 . 0 0 "[ . 1]" 2
39 1 60 ARG O 1 64 LYS H 2.000 . 2.500 1.935 1.812 2.036 . 0 0 "[ . 1]" 2
40 1 60 ARG O 1 64 LYS N 3.000 . 3.500 2.853 2.755 2.930 . 0 0 "[ . 1]" 2
41 1 61 VAL O 1 65 PHE H 2.000 . 2.500 2.050 1.820 2.526 0.026 8 0 "[ . 1]" 2
42 1 61 VAL O 1 65 PHE N 3.000 . 3.500 2.985 2.751 3.451 . 0 0 "[ . 1]" 2
43 1 62 VAL O 1 66 LEU H 2.000 . 2.500 2.057 1.936 2.198 . 0 0 "[ . 1]" 2
44 1 62 VAL O 1 66 LEU N 3.000 . 3.500 2.973 2.818 3.073 . 0 0 "[ . 1]" 2
stop_
save_
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