NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
560816 |
2m1n   |
18871 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2m1n
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 114
_Distance_constraint_stats_list.Viol_count 44
_Distance_constraint_stats_list.Viol_total 1570.779
_Distance_constraint_stats_list.Viol_max 5.563
_Distance_constraint_stats_list.Viol_rms 0.3693
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0344
_Distance_constraint_stats_list.Viol_average_violations_only 1.7850
_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 11 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 LEU 77.554 5.563 7 20 [******+*****-*******]
1 20 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 21 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 22 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 33 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 34 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 37 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 39 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 41 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 42 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 43 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 44 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 45 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 46 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 47 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 48 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 50 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 51 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 52 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 53 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 54 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 55 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 56 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 57 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 58 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 59 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 71 TYR 0.146 0.062 11 0 "[ . 1 . 2]"
1 72 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 74 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 75 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 76 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 77 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 78 ILE 0.778 0.093 9 0 "[ . 1 . 2]"
1 80 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 81 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 82 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 83 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 84 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 85 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
2 11 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
2 12 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
2 13 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
2 14 LEU 0.146 0.062 11 0 "[ . 1 . 2]"
2 20 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
2 21 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
2 22 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
2 23 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
2 33 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
2 34 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
2 37 SER 0.000 0.000 . 0 "[ . 1 . 2]"
2 38 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
2 39 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
2 41 LEU 0.061 0.061 12 0 "[ . 1 . 2]"
2 42 SER 0.000 0.000 . 0 "[ . 1 . 2]"
2 43 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
2 44 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
2 45 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
2 46 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
2 47 THR 0.000 0.000 . 0 "[ . 1 . 2]"
2 48 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
2 50 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
2 51 ALA 0.061 0.061 12 0 "[ . 1 . 2]"
2 52 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
2 53 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
2 54 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
2 55 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
2 56 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
2 57 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
2 58 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
2 59 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
2 71 TYR 0.095 0.052 8 0 "[ . 1 . 2]"
2 72 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
2 74 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
2 75 LEU 77.459 5.563 7 20 [******+*****-*******]
2 76 SER 0.000 0.000 . 0 "[ . 1 . 2]"
2 77 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
2 78 ILE 0.778 0.093 9 0 "[ . 1 . 2]"
2 80 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
2 81 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
2 82 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
2 83 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
2 84 THR 0.000 0.000 . 0 "[ . 1 . 2]"
2 85 LEU 0.000 0.000 . 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 33 VAL H 1 34 VAL QG 5.000 . 6.000 4.115 3.951 4.305 . 0 0 "[ . 1 . 2]" 1
2 1 37 SER H 1 38 VAL QG 5.000 . 6.000 3.653 3.578 3.715 . 0 0 "[ . 1 . 2]" 1
3 1 38 VAL QG 1 39 ASN H 5.000 . 6.000 2.380 2.313 2.431 . 0 0 "[ . 1 . 2]" 1
4 1 54 LYS H 1 55 LEU QD 5.000 . 6.000 4.542 4.125 5.390 . 0 0 "[ . 1 . 2]" 1
5 1 57 LYS H 1 58 LEU QD 5.000 . 6.000 4.472 4.017 5.322 . 0 0 "[ . 1 . 2]" 1
6 1 74 ALA H 1 75 LEU QD 5.000 . 6.000 5.024 4.490 5.466 . 0 0 "[ . 1 . 2]" 1
7 2 33 VAL H 2 34 VAL QG 5.000 . 6.000 4.139 3.949 4.259 . 0 0 "[ . 1 . 2]" 1
8 2 37 SER H 2 38 VAL QG 5.000 . 6.000 3.689 3.622 3.753 . 0 0 "[ . 1 . 2]" 1
9 2 38 VAL QG 2 39 ASN H 5.000 . 6.000 2.362 2.290 2.422 . 0 0 "[ . 1 . 2]" 1
10 2 54 LYS H 2 55 LEU QD 5.000 . 6.000 4.376 4.022 5.018 . 0 0 "[ . 1 . 2]" 1
11 2 57 LYS H 2 58 LEU QD 5.000 . 6.000 4.529 4.118 5.306 . 0 0 "[ . 1 . 2]" 1
12 2 74 ALA H 2 75 LEU QD 5.000 . 6.000 5.026 4.332 5.473 . 0 0 "[ . 1 . 2]" 1
13 1 11 GLU H 1 12 LEU H 5.000 . 6.000 2.600 2.517 2.733 . 0 0 "[ . 1 . 2]" 1
14 1 12 LEU H 1 13 LEU H 5.000 . 6.000 2.905 2.806 3.024 . 0 0 "[ . 1 . 2]" 1
15 1 12 LEU H 1 14 LEU H 5.000 . 6.000 4.015 3.794 4.383 . 0 0 "[ . 1 . 2]" 1
16 1 13 LEU H 1 14 LEU H 5.000 . 6.000 2.640 2.503 2.872 . 0 0 "[ . 1 . 2]" 1
17 1 20 LEU H 1 21 ILE H 5.000 . 6.000 2.866 2.704 2.936 . 0 0 "[ . 1 . 2]" 1
18 1 20 LEU H 1 22 GLU H 5.000 . 6.000 3.960 3.861 4.085 . 0 0 "[ . 1 . 2]" 1
19 1 21 ILE H 1 22 GLU H 5.000 . 6.000 2.566 2.469 2.636 . 0 0 "[ . 1 . 2]" 1
20 1 21 ILE H 1 23 ALA H 5.000 . 6.000 4.284 4.145 4.526 . 0 0 "[ . 1 . 2]" 1
21 1 33 VAL H 1 34 VAL H 5.000 . 6.000 2.691 2.629 2.797 . 0 0 "[ . 1 . 2]" 1
22 1 41 LEU H 1 42 SER H 5.000 . 6.000 2.692 2.549 2.789 . 0 0 "[ . 1 . 2]" 1
23 1 41 LEU H 1 43 GLU H 5.000 . 6.000 4.168 3.968 4.318 . 0 0 "[ . 1 . 2]" 1
24 1 42 SER H 1 43 GLU H 5.000 . 6.000 2.637 2.567 2.722 . 0 0 "[ . 1 . 2]" 1
25 1 42 SER H 1 44 LYS H 5.000 . 6.000 4.131 4.001 4.296 . 0 0 "[ . 1 . 2]" 1
26 1 44 LYS H 1 45 ALA H 5.000 . 6.000 2.487 2.345 2.637 . 0 0 "[ . 1 . 2]" 1
27 1 44 LYS H 1 46 LYS H 5.000 . 6.000 3.919 3.630 4.138 . 0 0 "[ . 1 . 2]" 1
28 1 45 ALA H 1 46 LYS H 5.000 . 6.000 2.477 2.244 2.650 . 0 0 "[ . 1 . 2]" 1
29 1 45 ALA H 1 47 THR H 5.000 . 6.000 4.207 3.914 4.439 . 0 0 "[ . 1 . 2]" 1
30 1 46 LYS H 1 47 THR H 5.000 . 6.000 2.627 2.512 2.883 . 0 0 "[ . 1 . 2]" 1
31 1 46 LYS H 1 48 ASP H 5.000 . 6.000 4.311 4.069 4.523 . 0 0 "[ . 1 . 2]" 1
32 1 47 THR H 1 48 ASP H 5.000 . 6.000 2.532 2.330 2.708 . 0 0 "[ . 1 . 2]" 1
33 1 50 GLN H 1 51 ALA H 5.000 . 6.000 2.520 2.392 2.596 . 0 0 "[ . 1 . 2]" 1
34 1 50 GLN H 1 52 ALA H 5.000 . 6.000 3.870 3.678 4.012 . 0 0 "[ . 1 . 2]" 1
35 1 51 ALA H 1 52 ALA H 5.000 . 6.000 2.629 2.538 2.696 . 0 0 "[ . 1 . 2]" 1
36 1 53 GLU H 1 54 LYS H 5.000 . 6.000 2.541 2.418 2.766 . 0 0 "[ . 1 . 2]" 1
37 1 53 GLU H 1 55 LEU H 5.000 . 6.000 4.145 4.019 4.434 . 0 0 "[ . 1 . 2]" 1
38 1 53 GLU H 1 56 ASN H 5.000 . 6.000 4.632 4.525 4.769 . 0 0 "[ . 1 . 2]" 1
39 1 54 LYS H 1 55 LEU H 5.000 . 6.000 2.591 2.465 2.741 . 0 0 "[ . 1 . 2]" 1
40 1 54 LYS H 1 56 ASN H 5.000 . 6.000 3.798 3.637 3.988 . 0 0 "[ . 1 . 2]" 1
41 1 55 LEU H 1 56 ASN H 5.000 . 6.000 2.471 2.376 2.593 . 0 0 "[ . 1 . 2]" 1
42 1 56 ASN H 1 57 LYS H 5.000 . 6.000 2.732 2.460 2.834 . 0 0 "[ . 1 . 2]" 1
43 1 58 LEU H 1 59 ILE H 5.000 . 6.000 2.789 2.731 2.856 . 0 0 "[ . 1 . 2]" 1
44 1 72 ASP H 1 74 ALA H 5.000 . 6.000 3.910 3.763 4.087 . 0 0 "[ . 1 . 2]" 1
45 1 75 LEU H 1 76 SER H 5.000 . 6.000 2.533 2.476 2.625 . 0 0 "[ . 1 . 2]" 1
46 1 75 LEU H 1 77 LYS H 5.000 . 6.000 4.028 3.879 4.161 . 0 0 "[ . 1 . 2]" 1
47 1 75 LEU H 1 78 ILE H 5.000 . 6.000 4.887 4.737 5.024 . 0 0 "[ . 1 . 2]" 1
48 1 76 SER H 1 77 LYS H 5.000 . 6.000 2.601 2.538 2.671 . 0 0 "[ . 1 . 2]" 1
49 1 76 SER H 1 78 ILE H 5.000 . 6.000 4.066 3.984 4.145 . 0 0 "[ . 1 . 2]" 1
50 1 77 LYS H 1 78 ILE H 5.000 . 6.000 2.516 2.423 2.594 . 0 0 "[ . 1 . 2]" 1
51 1 80 LYS H 1 81 LEU H 5.000 . 6.000 2.615 2.540 2.693 . 0 0 "[ . 1 . 2]" 1
52 1 80 LYS H 1 82 ILE H 5.000 . 6.000 4.109 3.950 4.239 . 0 0 "[ . 1 . 2]" 1
53 1 81 LEU H 1 82 ILE H 5.000 . 6.000 2.603 2.499 2.684 . 0 0 "[ . 1 . 2]" 1
54 1 82 ILE H 1 83 GLU H 5.000 . 6.000 2.638 2.515 2.750 . 0 0 "[ . 1 . 2]" 1
55 1 82 ILE H 1 84 THR H 5.000 . 6.000 3.917 3.796 4.091 . 0 0 "[ . 1 . 2]" 1
56 1 83 GLU H 1 84 THR H 5.000 . 6.000 2.557 2.483 2.659 . 0 0 "[ . 1 . 2]" 1
57 1 84 THR H 1 85 LEU H 5.000 . 6.000 2.495 2.427 2.603 . 0 0 "[ . 1 . 2]" 1
58 2 11 GLU H 2 12 LEU H 5.000 . 6.000 2.606 2.539 2.661 . 0 0 "[ . 1 . 2]" 1
59 2 12 LEU H 2 13 LEU H 5.000 . 6.000 2.861 2.700 2.951 . 0 0 "[ . 1 . 2]" 1
60 2 12 LEU H 2 14 LEU H 5.000 . 6.000 3.994 3.803 4.167 . 0 0 "[ . 1 . 2]" 1
61 2 13 LEU H 2 14 LEU H 5.000 . 6.000 2.646 2.565 2.743 . 0 0 "[ . 1 . 2]" 1
62 2 20 LEU H 2 21 ILE H 5.000 . 6.000 2.859 2.755 2.919 . 0 0 "[ . 1 . 2]" 1
63 2 20 LEU H 2 22 GLU H 5.000 . 6.000 4.001 3.872 4.252 . 0 0 "[ . 1 . 2]" 1
64 2 21 ILE H 2 22 GLU H 5.000 . 6.000 2.593 2.513 2.709 . 0 0 "[ . 1 . 2]" 1
65 2 21 ILE H 2 23 ALA H 5.000 . 6.000 4.253 4.071 4.584 . 0 0 "[ . 1 . 2]" 1
66 2 33 VAL H 2 34 VAL H 5.000 . 6.000 2.693 2.639 2.776 . 0 0 "[ . 1 . 2]" 1
67 2 41 LEU H 2 42 SER H 5.000 . 6.000 2.710 2.569 2.830 . 0 0 "[ . 1 . 2]" 1
68 2 41 LEU H 2 43 GLU H 5.000 . 6.000 4.157 3.887 4.390 . 0 0 "[ . 1 . 2]" 1
69 2 42 SER H 2 43 GLU H 5.000 . 6.000 2.662 2.552 2.798 . 0 0 "[ . 1 . 2]" 1
70 2 42 SER H 2 44 LYS H 5.000 . 6.000 4.227 4.000 4.349 . 0 0 "[ . 1 . 2]" 1
71 2 44 LYS H 2 45 ALA H 5.000 . 6.000 2.492 2.351 2.645 . 0 0 "[ . 1 . 2]" 1
72 2 44 LYS H 2 46 LYS H 5.000 . 6.000 3.910 3.789 4.101 . 0 0 "[ . 1 . 2]" 1
73 2 45 ALA H 2 46 LYS H 5.000 . 6.000 2.534 2.283 2.698 . 0 0 "[ . 1 . 2]" 1
74 2 45 ALA H 2 47 THR H 5.000 . 6.000 4.273 4.071 4.486 . 0 0 "[ . 1 . 2]" 1
75 2 46 LYS H 2 47 THR H 5.000 . 6.000 2.630 2.455 2.802 . 0 0 "[ . 1 . 2]" 1
76 2 46 LYS H 2 48 ASP H 5.000 . 6.000 4.296 4.117 4.463 . 0 0 "[ . 1 . 2]" 1
77 2 47 THR H 2 48 ASP H 5.000 . 6.000 2.559 2.393 2.886 . 0 0 "[ . 1 . 2]" 1
78 2 50 GLN H 2 51 ALA H 5.000 . 6.000 2.492 2.401 2.615 . 0 0 "[ . 1 . 2]" 1
79 2 50 GLN H 2 52 ALA H 5.000 . 6.000 3.834 3.710 3.937 . 0 0 "[ . 1 . 2]" 1
80 2 51 ALA H 2 52 ALA H 5.000 . 6.000 2.627 2.493 2.709 . 0 0 "[ . 1 . 2]" 1
81 2 53 GLU H 2 54 LYS H 5.000 . 6.000 2.515 2.434 2.656 . 0 0 "[ . 1 . 2]" 1
82 2 53 GLU H 2 55 LEU H 5.000 . 6.000 4.142 3.998 4.340 . 0 0 "[ . 1 . 2]" 1
83 2 53 GLU H 2 56 ASN H 5.000 . 6.000 4.587 4.492 4.738 . 0 0 "[ . 1 . 2]" 1
84 2 54 LYS H 2 55 LEU H 5.000 . 6.000 2.623 2.494 2.742 . 0 0 "[ . 1 . 2]" 1
85 2 54 LYS H 2 56 ASN H 5.000 . 6.000 3.809 3.636 4.064 . 0 0 "[ . 1 . 2]" 1
86 2 55 LEU H 2 56 ASN H 5.000 . 6.000 2.495 2.409 2.652 . 0 0 "[ . 1 . 2]" 1
87 2 56 ASN H 2 57 LYS H 5.000 . 6.000 2.731 2.559 2.884 . 0 0 "[ . 1 . 2]" 1
88 2 58 LEU H 2 59 ILE H 5.000 . 6.000 2.781 2.722 2.858 . 0 0 "[ . 1 . 2]" 1
89 2 72 ASP H 2 74 ALA H 5.000 . 6.000 3.932 3.807 4.074 . 0 0 "[ . 1 . 2]" 1
90 2 75 LEU H 2 76 SER H 5.000 . 6.000 2.543 2.478 2.609 . 0 0 "[ . 1 . 2]" 1
91 2 75 LEU H 2 77 LYS H 5.000 . 6.000 4.027 3.919 4.163 . 0 0 "[ . 1 . 2]" 1
92 2 75 LEU H 2 78 ILE H 5.000 . 6.000 4.864 4.733 5.012 . 0 0 "[ . 1 . 2]" 1
93 2 76 SER H 2 77 LYS H 5.000 . 6.000 2.581 2.508 2.672 . 0 0 "[ . 1 . 2]" 1
94 2 76 SER H 2 78 ILE H 5.000 . 6.000 4.041 3.916 4.278 . 0 0 "[ . 1 . 2]" 1
95 2 77 LYS H 2 78 ILE H 5.000 . 6.000 2.503 2.418 2.611 . 0 0 "[ . 1 . 2]" 1
96 2 80 LYS H 2 81 LEU H 5.000 . 6.000 2.627 2.534 2.704 . 0 0 "[ . 1 . 2]" 1
97 2 80 LYS H 2 82 ILE H 5.000 . 6.000 4.106 4.021 4.218 . 0 0 "[ . 1 . 2]" 1
98 2 81 LEU H 2 82 ILE H 5.000 . 6.000 2.581 2.478 2.653 . 0 0 "[ . 1 . 2]" 1
99 2 82 ILE H 2 83 GLU H 5.000 . 6.000 2.609 2.552 2.680 . 0 0 "[ . 1 . 2]" 1
100 2 82 ILE H 2 84 THR H 5.000 . 6.000 3.927 3.776 4.073 . 0 0 "[ . 1 . 2]" 1
101 2 83 GLU H 2 84 THR H 5.000 . 6.000 2.578 2.485 2.656 . 0 0 "[ . 1 . 2]" 1
102 2 84 THR H 2 85 LEU H 5.000 . 6.000 2.478 2.370 2.624 . 0 0 "[ . 1 . 2]" 1
103 1 14 LEU QB 2 71 TYR QE 4.500 3.000 6.000 3.664 2.948 4.578 0.052 8 0 "[ . 1 . 2]" 1
104 1 71 TYR QE 2 14 LEU QB 4.500 3.000 6.000 4.222 2.938 5.874 0.062 11 0 "[ . 1 . 2]" 1
105 1 14 LEU QB 2 75 LEU QD 4.500 3.000 6.000 9.873 8.417 11.563 5.563 7 20 [******+*****-*******] 1
106 1 41 LEU QD 1 51 ALA MB 5.000 . 6.000 4.875 4.449 5.409 . 0 0 "[ . 1 . 2]" 1
107 1 45 ALA MB 1 55 LEU QD 5.000 . 6.000 2.198 1.918 2.634 . 0 0 "[ . 1 . 2]" 1
108 1 55 LEU QD 1 59 ILE MD 5.000 . 6.000 3.895 2.182 4.745 . 0 0 "[ . 1 . 2]" 1
109 2 41 LEU QD 2 51 ALA MB 5.000 . 6.000 4.799 4.379 6.061 0.061 12 0 "[ . 1 . 2]" 1
110 2 45 ALA MB 2 55 LEU QD 5.000 . 6.000 2.249 2.012 2.631 . 0 0 "[ . 1 . 2]" 1
111 2 55 LEU QD 2 59 ILE MD 5.000 . 6.000 4.203 3.351 4.703 . 0 0 "[ . 1 . 2]" 1
112 1 21 ILE MD 2 74 ALA MB 5.000 . 6.000 3.003 1.884 5.052 . 0 0 "[ . 1 . 2]" 1
113 1 74 ALA MB 2 21 ILE MD 5.000 . 6.000 3.079 1.972 4.588 . 0 0 "[ . 1 . 2]" 1
114 1 78 ILE MD 2 78 ILE MD 3.000 . 4.000 3.948 2.661 4.093 0.093 9 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 260
_Distance_constraint_stats_list.Viol_count 1291
_Distance_constraint_stats_list.Viol_total 1060.515
_Distance_constraint_stats_list.Viol_max 0.419
_Distance_constraint_stats_list.Viol_rms 0.0270
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0102
_Distance_constraint_stats_list.Viol_average_violations_only 0.0411
_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 SER 0.134 0.046 11 0 "[ . 1 . 2]"
1 3 ILE 0.089 0.055 15 0 "[ . 1 . 2]"
1 4 VAL 0.019 0.013 15 0 "[ . 1 . 2]"
1 5 SER 0.140 0.048 16 0 "[ . 1 . 2]"
1 6 GLN 0.935 0.087 1 0 "[ . 1 . 2]"
1 7 THR 0.397 0.058 18 0 "[ . 1 . 2]"
1 8 ARG 0.604 0.070 12 0 "[ . 1 . 2]"
1 9 ASN 0.334 0.063 7 0 "[ . 1 . 2]"
1 10 LYS 0.884 0.087 1 0 "[ . 1 . 2]"
1 11 GLU 0.426 0.058 18 0 "[ . 1 . 2]"
1 12 LEU 0.645 0.070 12 0 "[ . 1 . 2]"
1 13 LEU 0.247 0.063 7 0 "[ . 1 . 2]"
1 14 LEU 0.186 0.051 13 0 "[ . 1 . 2]"
1 15 LYS 0.507 0.097 15 0 "[ . 1 . 2]"
1 16 LYS 0.701 0.126 2 0 "[ . 1 . 2]"
1 17 ILE 0.089 0.036 7 0 "[ . 1 . 2]"
1 18 ASP 0.569 0.088 13 0 "[ . 1 . 2]"
1 19 SER 0.513 0.097 15 0 "[ . 1 . 2]"
1 20 LEU 0.976 0.126 2 0 "[ . 1 . 2]"
1 21 ILE 0.158 0.066 10 0 "[ . 1 . 2]"
1 22 GLU 0.642 0.089 11 0 "[ . 1 . 2]"
1 23 ALA 0.200 0.053 2 0 "[ . 1 . 2]"
1 24 ILE 0.620 0.071 7 0 "[ . 1 . 2]"
1 25 LYS 0.272 0.066 10 0 "[ . 1 . 2]"
1 26 LYS 0.492 0.089 11 0 "[ . 1 . 2]"
1 27 ILE 0.143 0.058 6 0 "[ . 1 . 2]"
1 28 ILE 0.784 0.092 7 0 "[ . 1 . 2]"
1 29 ALA 0.281 0.057 16 0 "[ . 1 . 2]"
1 30 GLU 0.317 0.071 13 0 "[ . 1 . 2]"
1 31 PHE 0.071 0.058 6 0 "[ . 1 . 2]"
1 32 ASP 0.808 0.098 8 0 "[ . 1 . 2]"
1 33 VAL 0.150 0.057 16 0 "[ . 1 . 2]"
1 34 VAL 1.117 0.083 15 0 "[ . 1 . 2]"
1 35 LYS 0.235 0.069 20 0 "[ . 1 . 2]"
1 36 GLU 0.489 0.098 8 0 "[ . 1 . 2]"
1 37 SER 0.775 0.100 4 0 "[ . 1 . 2]"
1 38 VAL 2.485 0.113 3 0 "[ . 1 . 2]"
1 39 ASN 0.985 0.150 5 0 "[ . 1 . 2]"
1 40 GLU 0.302 0.075 7 0 "[ . 1 . 2]"
1 41 LEU 1.406 0.100 4 0 "[ . 1 . 2]"
1 42 SER 1.633 0.113 3 0 "[ . 1 . 2]"
1 43 GLU 0.753 0.150 5 0 "[ . 1 . 2]"
1 44 LYS 0.122 0.075 7 0 "[ . 1 . 2]"
1 45 ALA 0.651 0.077 18 0 "[ . 1 . 2]"
1 46 LYS 0.265 0.052 11 0 "[ . 1 . 2]"
1 49 PRO 0.096 0.032 3 0 "[ . 1 . 2]"
1 50 GLN 0.148 0.030 16 0 "[ . 1 . 2]"
1 51 ALA 0.722 0.110 1 0 "[ . 1 . 2]"
1 52 ALA 0.784 0.128 15 0 "[ . 1 . 2]"
1 53 GLU 0.149 0.045 9 0 "[ . 1 . 2]"
1 54 LYS 0.387 0.085 20 0 "[ . 1 . 2]"
1 55 LEU 1.629 0.110 1 0 "[ . 1 . 2]"
1 56 ASN 1.071 0.128 15 0 "[ . 1 . 2]"
1 57 LYS 0.807 0.108 9 0 "[ . 1 . 2]"
1 58 LEU 0.239 0.085 20 0 "[ . 1 . 2]"
1 59 ILE 0.908 0.079 18 0 "[ . 1 . 2]"
1 60 GLU 0.287 0.063 4 0 "[ . 1 . 2]"
1 61 GLY 0.753 0.108 9 0 "[ . 1 . 2]"
1 65 GLY 0.304 0.079 18 0 "[ . 1 . 2]"
1 66 GLU 0.426 0.068 14 0 "[ . 1 . 2]"
1 67 GLU 0.177 0.051 12 0 "[ . 1 . 2]"
1 68 ARG 0.390 0.081 4 0 "[ . 1 . 2]"
1 69 LYS 0.678 0.079 18 0 "[ . 1 . 2]"
1 70 LEU 1.416 0.114 4 0 "[ . 1 . 2]"
1 71 TYR 0.333 0.071 3 0 "[ . 1 . 2]"
1 72 ASP 0.536 0.081 4 0 "[ . 1 . 2]"
1 73 SER 0.870 0.126 13 0 "[ . 1 . 2]"
1 74 ALA 1.092 0.114 4 0 "[ . 1 . 2]"
1 75 LEU 0.371 0.084 4 0 "[ . 1 . 2]"
1 76 SER 0.160 0.071 1 0 "[ . 1 . 2]"
1 77 LYS 0.876 0.126 13 0 "[ . 1 . 2]"
1 78 ILE 0.312 0.061 3 0 "[ . 1 . 2]"
1 79 GLU 0.378 0.084 4 0 "[ . 1 . 2]"
1 80 LYS 4.707 0.419 7 0 "[ . 1 . 2]"
1 81 LEU 0.379 0.058 17 0 "[ . 1 . 2]"
1 82 ILE 0.210 0.061 3 0 "[ . 1 . 2]"
1 83 GLU 0.164 0.037 7 0 "[ . 1 . 2]"
1 84 THR 4.693 0.419 7 0 "[ . 1 . 2]"
2 2 SER 0.401 0.064 16 0 "[ . 1 . 2]"
2 3 ILE 0.058 0.018 16 0 "[ . 1 . 2]"
2 4 VAL 0.100 0.035 20 0 "[ . 1 . 2]"
2 5 SER 0.294 0.047 12 0 "[ . 1 . 2]"
2 6 GLN 1.335 0.110 19 0 "[ . 1 . 2]"
2 7 THR 0.823 0.095 4 0 "[ . 1 . 2]"
2 8 ARG 0.718 0.076 14 0 "[ . 1 . 2]"
2 9 ASN 0.551 0.075 19 0 "[ . 1 . 2]"
2 10 LYS 0.990 0.110 19 0 "[ . 1 . 2]"
2 11 GLU 0.840 0.095 4 0 "[ . 1 . 2]"
2 12 LEU 0.697 0.076 14 0 "[ . 1 . 2]"
2 13 LEU 0.302 0.075 19 0 "[ . 1 . 2]"
2 14 LEU 0.201 0.063 3 0 "[ . 1 . 2]"
2 15 LYS 0.495 0.048 20 0 "[ . 1 . 2]"
2 16 LYS 0.639 0.100 16 0 "[ . 1 . 2]"
2 17 ILE 0.149 0.049 12 0 "[ . 1 . 2]"
2 18 ASP 0.500 0.069 5 0 "[ . 1 . 2]"
2 19 SER 0.470 0.048 20 0 "[ . 1 . 2]"
2 20 LEU 0.660 0.100 16 0 "[ . 1 . 2]"
2 21 ILE 0.159 0.049 12 0 "[ . 1 . 2]"
2 22 GLU 0.383 0.069 5 0 "[ . 1 . 2]"
2 23 ALA 0.055 0.027 18 0 "[ . 1 . 2]"
2 24 ILE 0.355 0.057 1 0 "[ . 1 . 2]"
2 25 LYS 0.246 0.039 3 0 "[ . 1 . 2]"
2 26 LYS 0.495 0.060 19 0 "[ . 1 . 2]"
2 27 ILE 0.005 0.005 12 0 "[ . 1 . 2]"
2 28 ILE 0.607 0.067 2 0 "[ . 1 . 2]"
2 29 ALA 0.207 0.039 3 0 "[ . 1 . 2]"
2 30 GLU 0.467 0.060 19 0 "[ . 1 . 2]"
2 31 PHE 0.032 0.024 4 0 "[ . 1 . 2]"
2 32 ASP 0.846 0.067 2 0 "[ . 1 . 2]"
2 33 VAL 0.099 0.046 11 0 "[ . 1 . 2]"
2 34 VAL 1.410 0.086 9 0 "[ . 1 . 2]"
2 35 LYS 0.117 0.026 6 0 "[ . 1 . 2]"
2 36 GLU 1.018 0.086 2 0 "[ . 1 . 2]"
2 37 SER 0.937 0.108 14 0 "[ . 1 . 2]"
2 38 VAL 2.521 0.112 2 0 "[ . 1 . 2]"
2 39 ASN 0.627 0.091 14 0 "[ . 1 . 2]"
2 40 GLU 0.719 0.086 2 0 "[ . 1 . 2]"
2 41 LEU 2.482 0.108 14 0 "[ . 1 . 2]"
2 42 SER 1.342 0.112 2 0 "[ . 1 . 2]"
2 43 GLU 0.541 0.091 14 0 "[ . 1 . 2]"
2 44 LYS 0.196 0.051 16 0 "[ . 1 . 2]"
2 45 ALA 1.627 0.100 12 0 "[ . 1 . 2]"
2 46 LYS 0.231 0.047 10 0 "[ . 1 . 2]"
2 49 PRO 0.132 0.060 1 0 "[ . 1 . 2]"
2 50 GLN 0.045 0.025 14 0 "[ . 1 . 2]"
2 51 ALA 0.573 0.104 12 0 "[ . 1 . 2]"
2 52 ALA 1.083 0.102 17 0 "[ . 1 . 2]"
2 53 GLU 0.346 0.060 1 0 "[ . 1 . 2]"
2 54 LYS 0.404 0.085 8 0 "[ . 1 . 2]"
2 55 LEU 1.848 0.104 12 0 "[ . 1 . 2]"
2 56 ASN 1.168 0.102 17 0 "[ . 1 . 2]"
2 57 LYS 1.450 0.135 20 0 "[ . 1 . 2]"
2 58 LEU 0.359 0.085 8 0 "[ . 1 . 2]"
2 59 ILE 1.275 0.085 17 0 "[ . 1 . 2]"
2 60 GLU 0.086 0.041 1 0 "[ . 1 . 2]"
2 61 GLY 1.236 0.135 20 0 "[ . 1 . 2]"
2 65 GLY 0.379 0.070 10 0 "[ . 1 . 2]"
2 66 GLU 0.299 0.060 18 0 "[ . 1 . 2]"
2 67 GLU 0.038 0.025 10 0 "[ . 1 . 2]"
2 68 ARG 0.592 0.097 11 0 "[ . 1 . 2]"
2 69 LYS 0.853 0.072 20 0 "[ . 1 . 2]"
2 70 LEU 1.066 0.084 10 0 "[ . 1 . 2]"
2 71 TYR 0.391 0.129 7 0 "[ . 1 . 2]"
2 72 ASP 0.804 0.097 11 0 "[ . 1 . 2]"
2 73 SER 1.127 0.096 17 0 "[ . 1 . 2]"
2 74 ALA 0.865 0.084 10 0 "[ . 1 . 2]"
2 75 LEU 0.598 0.129 7 0 "[ . 1 . 2]"
2 76 SER 0.311 0.067 8 0 "[ . 1 . 2]"
2 77 LYS 0.851 0.096 17 0 "[ . 1 . 2]"
2 78 ILE 0.326 0.082 17 0 "[ . 1 . 2]"
2 79 GLU 0.608 0.076 10 0 "[ . 1 . 2]"
2 80 LYS 3.648 0.418 3 0 "[ . 1 . 2]"
2 81 LEU 0.198 0.054 3 0 "[ . 1 . 2]"
2 82 ILE 0.229 0.082 17 0 "[ . 1 . 2]"
2 83 GLU 0.364 0.076 10 0 "[ . 1 . 2]"
2 84 THR 3.549 0.418 3 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 SER O 1 6 GLN H 2.050 2.050 2.550 2.218 2.044 2.562 0.012 9 0 "[ . 1 . 2]" 2
2 1 2 SER O 1 6 GLN N 3.050 3.050 3.550 3.148 3.004 3.419 0.046 11 0 "[ . 1 . 2]" 2
3 1 3 ILE O 1 7 THR H 1.980 . 2.480 2.319 2.124 2.535 0.055 15 0 "[ . 1 . 2]" 2
4 1 3 ILE O 1 7 THR N 2.980 2.980 3.480 3.253 3.082 3.479 . 0 0 "[ . 1 . 2]" 2
5 1 4 VAL O 1 8 ARG H 1.960 . 2.460 2.197 2.010 2.457 . 0 0 "[ . 1 . 2]" 2
6 1 4 VAL O 1 8 ARG N 2.960 2.960 3.460 3.114 2.947 3.387 0.013 15 0 "[ . 1 . 2]" 2
7 1 5 SER O 1 9 ASN H 1.900 . 2.400 2.017 1.930 2.280 . 0 0 "[ . 1 . 2]" 2
8 1 5 SER O 1 9 ASN N 2.900 2.900 3.400 2.942 2.852 3.143 0.048 16 0 "[ . 1 . 2]" 2
9 1 6 GLN O 1 10 LYS H 1.980 . 2.480 2.022 1.944 2.098 0.036 8 0 "[ . 1 . 2]" 2
10 1 6 GLN O 1 10 LYS N 2.980 2.980 3.480 2.949 2.893 3.038 0.087 1 0 "[ . 1 . 2]" 2
11 1 7 THR O 1 11 GLU H 2.090 2.090 2.590 2.198 2.080 2.519 0.010 3 0 "[ . 1 . 2]" 2
12 1 7 THR O 1 11 GLU N 3.090 3.090 3.590 3.132 3.032 3.364 0.058 18 0 "[ . 1 . 2]" 2
13 1 8 ARG O 1 12 LEU H 2.110 2.110 2.610 2.213 2.105 2.328 0.005 17 0 "[ . 1 . 2]" 2
14 1 8 ARG O 1 12 LEU N 3.110 3.110 3.610 3.094 3.040 3.227 0.070 12 0 "[ . 1 . 2]" 2
15 1 9 ASN O 1 13 LEU H 2.070 2.070 2.570 2.179 2.043 2.322 0.027 7 0 "[ . 1 . 2]" 2
16 1 9 ASN O 1 13 LEU N 3.070 3.070 3.570 3.152 3.007 3.282 0.063 7 0 "[ . 1 . 2]" 2
17 1 10 LYS O 1 14 LEU H 1.950 . 2.450 2.263 2.041 2.501 0.051 13 0 "[ . 1 . 2]" 2
18 1 10 LYS O 1 14 LEU N 2.950 2.950 3.450 3.133 2.965 3.349 . 0 0 "[ . 1 . 2]" 2
19 1 11 GLU O 1 15 LYS H 1.930 . 2.430 2.068 1.917 2.206 0.013 15 0 "[ . 1 . 2]" 2
20 1 11 GLU O 1 15 LYS N 2.930 2.930 3.430 3.011 2.889 3.121 0.041 15 0 "[ . 1 . 2]" 2
21 1 12 LEU O 1 16 LYS H 1.810 . 2.310 2.147 1.960 2.340 0.030 1 0 "[ . 1 . 2]" 2
22 1 12 LEU O 1 16 LYS N 2.810 2.810 3.310 3.042 2.817 3.255 . 0 0 "[ . 1 . 2]" 2
23 1 13 LEU O 1 17 ILE H 1.770 . 2.270 2.072 1.884 2.306 0.036 7 0 "[ . 1 . 2]" 2
24 1 13 LEU O 1 17 ILE N 2.770 2.770 3.270 3.004 2.774 3.273 0.003 7 0 "[ . 1 . 2]" 2
25 1 14 LEU O 1 18 ASP H 1.890 . 2.390 2.148 1.932 2.428 0.038 4 0 "[ . 1 . 2]" 2
26 1 14 LEU O 1 18 ASP N 2.890 2.890 3.390 3.049 2.853 3.325 0.037 7 0 "[ . 1 . 2]" 2
27 1 15 LYS O 1 19 SER H 2.130 2.130 2.630 2.217 2.121 2.392 0.009 12 0 "[ . 1 . 2]" 2
28 1 15 LYS O 1 19 SER N 3.130 3.130 3.630 3.135 3.033 3.285 0.097 15 0 "[ . 1 . 2]" 2
29 1 16 LYS O 1 20 LEU H 2.140 2.140 2.640 2.361 2.226 2.492 . 0 0 "[ . 1 . 2]" 2
30 1 16 LYS O 1 20 LEU N 3.140 3.140 3.640 3.135 3.014 3.287 0.126 2 0 "[ . 1 . 2]" 2
31 1 17 ILE O 1 21 ILE H 2.140 2.140 2.640 2.436 2.202 2.668 0.028 5 0 "[ . 1 . 2]" 2
32 1 17 ILE O 1 21 ILE N 3.140 3.140 3.640 3.376 3.157 3.591 . 0 0 "[ . 1 . 2]" 2
33 1 18 ASP O 1 22 GLU H 2.110 2.110 2.610 2.532 2.281 2.698 0.088 13 0 "[ . 1 . 2]" 2
34 1 18 ASP O 1 22 GLU N 3.110 3.110 3.610 3.410 3.149 3.594 . 0 0 "[ . 1 . 2]" 2
35 1 19 SER O 1 23 ALA H 1.790 . 2.290 1.965 1.756 2.131 0.034 2 0 "[ . 1 . 2]" 2
36 1 19 SER O 1 23 ALA N 2.790 2.790 3.290 2.885 2.737 3.031 0.053 2 0 "[ . 1 . 2]" 2
37 1 20 LEU O 1 24 ILE H 1.870 . 2.370 2.299 1.969 2.431 0.061 10 0 "[ . 1 . 2]" 2
38 1 20 LEU O 1 24 ILE N 2.870 2.870 3.370 3.254 2.930 3.384 0.014 7 0 "[ . 1 . 2]" 2
39 1 21 ILE O 1 25 LYS H 1.860 . 2.360 2.086 1.889 2.325 . 0 0 "[ . 1 . 2]" 2
40 1 21 ILE O 1 25 LYS N 2.860 2.860 3.360 2.978 2.794 3.139 0.066 10 0 "[ . 1 . 2]" 2
41 1 22 GLU O 1 26 LYS H 1.910 . 2.410 2.239 1.928 2.499 0.089 11 0 "[ . 1 . 2]" 2
42 1 22 GLU O 1 26 LYS N 2.910 2.910 3.410 3.066 2.851 3.327 0.059 13 0 "[ . 1 . 2]" 2
43 1 23 ALA O 1 27 ILE H 1.840 . 2.340 2.133 1.890 2.378 0.038 15 0 "[ . 1 . 2]" 2
44 1 23 ALA O 1 27 ILE N 2.840 2.840 3.340 3.029 2.841 3.270 . 0 0 "[ . 1 . 2]" 2
45 1 24 ILE O 1 28 ILE H 1.890 . 2.390 2.342 2.035 2.461 0.071 7 0 "[ . 1 . 2]" 2
46 1 24 ILE O 1 28 ILE N 2.890 2.890 3.390 3.304 3.016 3.414 0.024 7 0 "[ . 1 . 2]" 2
47 1 25 LYS O 1 29 ALA H 2.240 2.240 2.740 2.458 2.321 2.699 . 0 0 "[ . 1 . 2]" 2
48 1 25 LYS O 1 29 ALA N 3.240 3.240 3.740 3.312 3.201 3.558 0.039 8 0 "[ . 1 . 2]" 2
49 1 26 LYS O 1 30 GLU H 1.940 . 2.440 2.037 1.921 2.231 0.019 13 0 "[ . 1 . 2]" 2
50 1 26 LYS O 1 30 GLU N 2.940 2.940 3.440 2.962 2.869 3.109 0.071 13 0 "[ . 1 . 2]" 2
51 1 27 ILE O 1 31 PHE H 1.940 . 2.440 2.278 2.043 2.498 0.058 6 0 "[ . 1 . 2]" 2
52 1 27 ILE O 1 31 PHE N 2.940 2.940 3.440 3.188 2.951 3.392 . 0 0 "[ . 1 . 2]" 2
53 1 28 ILE O 1 32 ASP H 1.940 . 2.440 2.443 2.335 2.532 0.092 7 0 "[ . 1 . 2]" 2
54 1 28 ILE O 1 32 ASP N 2.940 2.940 3.440 3.340 3.238 3.430 . 0 0 "[ . 1 . 2]" 2
55 1 29 ALA O 1 33 VAL H 1.940 . 2.440 2.274 1.990 2.497 0.057 16 0 "[ . 1 . 2]" 2
56 1 29 ALA O 1 33 VAL N 2.940 2.940 3.440 3.190 2.936 3.403 0.004 14 0 "[ . 1 . 2]" 2
57 1 31 PHE O 1 35 LYS H 1.970 . 2.470 2.221 2.061 2.447 . 0 0 "[ . 1 . 2]" 2
58 1 31 PHE O 1 35 LYS N 2.970 2.970 3.470 3.114 2.967 3.333 0.003 14 0 "[ . 1 . 2]" 2
59 1 32 ASP O 1 36 GLU H 1.900 . 2.400 2.358 2.151 2.498 0.098 8 0 "[ . 1 . 2]" 2
60 1 32 ASP O 1 36 GLU N 2.900 2.900 3.400 3.282 3.054 3.410 0.010 8 0 "[ . 1 . 2]" 2
61 1 33 VAL O 1 37 SER H 1.820 . 2.320 1.977 1.879 2.085 . 0 0 "[ . 1 . 2]" 2
62 1 33 VAL O 1 37 SER N 2.820 2.820 3.320 2.881 2.809 2.978 0.011 13 0 "[ . 1 . 2]" 2
63 1 34 VAL O 1 38 VAL H 2.050 2.050 2.550 2.043 2.003 2.084 0.047 4 0 "[ . 1 . 2]" 2
64 1 34 VAL O 1 38 VAL N 3.050 3.050 3.550 3.007 2.967 3.053 0.083 15 0 "[ . 1 . 2]" 2
65 1 35 LYS O 1 39 ASN H 2.170 2.170 2.670 2.634 2.479 2.739 0.069 20 0 "[ . 1 . 2]" 2
66 1 35 LYS O 1 39 ASN N 3.170 3.170 3.670 3.442 3.289 3.577 . 0 0 "[ . 1 . 2]" 2
67 1 36 GLU O 1 40 GLU H 2.110 2.110 2.610 2.279 2.095 2.613 0.015 1 0 "[ . 1 . 2]" 2
68 1 36 GLU O 1 40 GLU N 3.110 3.110 3.610 3.229 3.050 3.574 0.060 2 0 "[ . 1 . 2]" 2
69 1 37 SER O 1 41 LEU H 2.000 . 2.500 2.046 1.968 2.147 0.032 19 0 "[ . 1 . 2]" 2
70 1 37 SER O 1 41 LEU N 3.000 3.000 3.500 2.975 2.900 3.090 0.100 4 0 "[ . 1 . 2]" 2
71 1 38 VAL O 1 42 SER H 2.000 . 2.500 2.054 1.956 2.124 0.044 3 0 "[ . 1 . 2]" 2
72 1 38 VAL O 1 42 SER N 3.000 3.000 3.500 2.938 2.887 3.026 0.113 3 0 "[ . 1 . 2]" 2
73 1 39 ASN O 1 43 GLU H 2.000 . 2.500 2.482 2.282 2.650 0.150 5 0 "[ . 1 . 2]" 2
74 1 39 ASN O 1 43 GLU N 3.000 3.000 3.500 3.369 3.197 3.540 0.040 5 0 "[ . 1 . 2]" 2
75 1 40 GLU O 1 44 LYS H 2.000 . 2.500 2.286 2.075 2.575 0.075 7 0 "[ . 1 . 2]" 2
76 1 40 GLU O 1 44 LYS N 3.000 3.000 3.500 3.172 2.973 3.436 0.027 13 0 "[ . 1 . 2]" 2
77 1 41 LEU O 1 45 ALA H 2.000 . 2.500 2.125 1.984 2.376 0.016 18 0 "[ . 1 . 2]" 2
78 1 41 LEU O 1 45 ALA N 3.000 3.000 3.500 2.972 2.923 3.026 0.077 18 0 "[ . 1 . 2]" 2
79 1 42 SER O 1 46 LYS H 2.000 . 2.500 2.318 2.046 2.533 0.033 16 0 "[ . 1 . 2]" 2
80 1 42 SER O 1 46 LYS N 3.000 3.000 3.500 3.024 2.948 3.221 0.052 11 0 "[ . 1 . 2]" 2
81 1 49 PRO O 1 53 GLU H 2.000 . 2.500 2.376 2.075 2.532 0.032 3 0 "[ . 1 . 2]" 2
82 1 49 PRO O 1 53 GLU N 3.000 3.000 3.500 3.240 3.047 3.481 . 0 0 "[ . 1 . 2]" 2
83 1 50 GLN O 1 54 LYS H 2.000 . 2.500 2.279 2.141 2.529 0.029 2 0 "[ . 1 . 2]" 2
84 1 50 GLN O 1 54 LYS N 3.000 3.000 3.500 3.121 2.970 3.430 0.030 16 0 "[ . 1 . 2]" 2
85 1 51 ALA O 1 55 LEU H 2.000 . 2.500 2.106 1.960 2.422 0.040 1 0 "[ . 1 . 2]" 2
86 1 51 ALA O 1 55 LEU N 3.000 3.000 3.500 3.020 2.890 3.264 0.110 1 0 "[ . 1 . 2]" 2
87 1 52 ALA O 1 56 ASN H 2.000 . 2.500 2.193 2.065 2.322 . 0 0 "[ . 1 . 2]" 2
88 1 52 ALA O 1 56 ASN N 3.000 3.000 3.500 2.976 2.872 3.157 0.128 15 0 "[ . 1 . 2]" 2
89 1 53 GLU O 1 57 LYS H 2.000 . 2.500 2.363 2.111 2.545 0.045 9 0 "[ . 1 . 2]" 2
90 1 53 GLU O 1 57 LYS N 3.000 3.000 3.500 3.286 3.033 3.495 . 0 0 "[ . 1 . 2]" 2
91 1 54 LYS O 1 58 LEU H 2.000 . 2.500 2.212 2.024 2.435 . 0 0 "[ . 1 . 2]" 2
92 1 54 LYS O 1 58 LEU N 3.000 3.000 3.500 3.078 2.915 3.318 0.085 20 0 "[ . 1 . 2]" 2
93 1 55 LEU O 1 59 ILE H 2.000 . 2.500 2.021 1.951 2.197 0.049 1 0 "[ . 1 . 2]" 2
94 1 55 LEU O 1 59 ILE N 3.000 3.000 3.500 2.993 2.921 3.164 0.079 18 0 "[ . 1 . 2]" 2
95 1 56 ASN O 1 60 GLU H 2.000 . 2.500 2.448 2.214 2.563 0.063 4 0 "[ . 1 . 2]" 2
96 1 56 ASN O 1 60 GLU N 3.000 3.000 3.500 3.319 3.119 3.432 . 0 0 "[ . 1 . 2]" 2
97 1 57 LYS O 1 61 GLY H 2.000 . 2.500 2.083 1.966 2.256 0.034 15 0 "[ . 1 . 2]" 2
98 1 57 LYS O 1 61 GLY N 3.000 3.000 3.500 2.979 2.892 3.150 0.108 9 0 "[ . 1 . 2]" 2
99 1 65 GLY O 1 69 LYS H 2.000 . 2.500 2.409 2.186 2.579 0.079 18 0 "[ . 1 . 2]" 2
100 1 65 GLY O 1 69 LYS N 3.000 3.000 3.500 3.287 3.033 3.478 . 0 0 "[ . 1 . 2]" 2
101 1 66 GLU O 1 70 LEU H 2.000 . 2.500 2.202 2.073 2.415 . 0 0 "[ . 1 . 2]" 2
102 1 66 GLU O 1 70 LEU N 3.000 3.000 3.500 3.026 2.932 3.183 0.068 14 0 "[ . 1 . 2]" 2
103 1 67 GLU O 1 71 TYR H 2.000 . 2.500 2.155 1.987 2.434 0.013 18 0 "[ . 1 . 2]" 2
104 1 67 GLU O 1 71 TYR N 3.000 3.000 3.500 3.054 2.949 3.283 0.051 12 0 "[ . 1 . 2]" 2
105 1 68 ARG O 1 72 ASP H 1.850 . 2.350 2.323 2.130 2.431 0.081 4 0 "[ . 1 . 2]" 2
106 1 68 ARG O 1 72 ASP N 2.850 2.850 3.350 3.214 3.014 3.380 0.030 8 0 "[ . 1 . 2]" 2
107 1 69 LYS O 1 73 SER H 1.970 . 2.470 2.099 1.983 2.381 . 0 0 "[ . 1 . 2]" 2
108 1 69 LYS O 1 73 SER N 2.970 2.970 3.470 3.009 2.901 3.293 0.069 14 0 "[ . 1 . 2]" 2
109 1 70 LEU O 1 74 ALA H 2.050 2.050 2.550 2.211 2.068 2.367 . 0 0 "[ . 1 . 2]" 2
110 1 70 LEU O 1 74 ALA N 3.050 3.050 3.550 3.007 2.936 3.109 0.114 4 0 "[ . 1 . 2]" 2
111 1 71 TYR O 1 75 LEU H 1.990 . 2.490 2.330 2.040 2.561 0.071 3 0 "[ . 1 . 2]" 2
112 1 71 TYR O 1 75 LEU N 2.990 2.990 3.490 3.196 2.980 3.427 0.010 9 0 "[ . 1 . 2]" 2
113 1 72 ASP O 1 76 SER H 2.000 . 2.500 2.364 2.148 2.571 0.071 1 0 "[ . 1 . 2]" 2
114 1 72 ASP O 1 76 SER N 3.000 3.000 3.500 3.226 2.994 3.487 0.006 17 0 "[ . 1 . 2]" 2
115 1 73 SER O 1 77 LYS H 2.270 2.270 2.770 2.477 2.360 2.638 . 0 0 "[ . 1 . 2]" 2
116 1 73 SER O 1 77 LYS N 3.270 3.270 3.770 3.275 3.144 3.410 0.126 13 0 "[ . 1 . 2]" 2
117 1 74 ALA O 1 78 ILE H 2.220 2.220 2.720 2.508 2.334 2.731 0.011 15 0 "[ . 1 . 2]" 2
118 1 74 ALA O 1 78 ILE N 3.220 3.220 3.720 3.351 3.184 3.579 0.036 17 0 "[ . 1 . 2]" 2
119 1 75 LEU O 1 79 GLU H 2.070 2.070 2.570 2.216 2.066 2.393 0.004 4 0 "[ . 1 . 2]" 2
120 1 75 LEU O 1 79 GLU N 3.070 3.070 3.570 3.133 2.986 3.294 0.084 4 0 "[ . 1 . 2]" 2
121 1 76 SER O 1 80 LYS H 2.020 2.020 2.520 2.340 2.135 2.534 0.014 2 0 "[ . 1 . 2]" 2
122 1 76 SER O 1 80 LYS N 3.020 3.020 3.520 3.219 3.074 3.414 . 0 0 "[ . 1 . 2]" 2
123 1 77 LYS O 1 81 LEU H 2.180 2.180 2.680 2.336 2.241 2.525 . 0 0 "[ . 1 . 2]" 2
124 1 77 LYS O 1 81 LEU N 3.180 3.180 3.680 3.198 3.122 3.382 0.058 17 0 "[ . 1 . 2]" 2
125 1 78 ILE O 1 82 ILE H 2.020 2.020 2.520 2.165 2.060 2.361 . 0 0 "[ . 1 . 2]" 2
126 1 78 ILE O 1 82 ILE N 3.020 3.020 3.520 3.075 2.959 3.253 0.061 3 0 "[ . 1 . 2]" 2
127 1 79 GLU O 1 83 GLU H 1.960 . 2.460 2.168 2.029 2.475 0.015 8 0 "[ . 1 . 2]" 2
128 1 79 GLU O 1 83 GLU N 2.960 2.960 3.460 3.073 2.923 3.361 0.037 7 0 "[ . 1 . 2]" 2
129 1 80 LYS O 1 84 THR H 2.150 2.150 2.650 2.195 1.828 2.470 0.322 7 0 "[ . 1 . 2]" 2
130 1 80 LYS O 1 84 THR N 3.150 3.150 3.650 2.964 2.731 3.217 0.419 7 0 "[ . 1 . 2]" 2
131 2 2 SER O 2 6 GLN H 2.050 2.050 2.550 2.177 2.018 2.376 0.032 11 0 "[ . 1 . 2]" 2
132 2 2 SER O 2 6 GLN N 3.050 3.050 3.550 3.086 2.986 3.292 0.064 16 0 "[ . 1 . 2]" 2
133 2 3 ILE O 2 7 THR H 1.980 . 2.480 2.240 2.018 2.498 0.018 16 0 "[ . 1 . 2]" 2
134 2 3 ILE O 2 7 THR N 2.980 2.980 3.480 3.182 2.965 3.461 0.015 14 0 "[ . 1 . 2]" 2
135 2 4 VAL O 2 8 ARG H 1.960 . 2.460 2.242 2.027 2.488 0.028 14 0 "[ . 1 . 2]" 2
136 2 4 VAL O 2 8 ARG N 2.960 2.960 3.460 3.123 2.925 3.421 0.035 20 0 "[ . 1 . 2]" 2
137 2 5 SER O 2 9 ASN H 1.900 . 2.400 1.968 1.893 2.126 0.007 9 0 "[ . 1 . 2]" 2
138 2 5 SER O 2 9 ASN N 2.900 2.900 3.400 2.906 2.853 3.032 0.047 12 0 "[ . 1 . 2]" 2
139 2 6 GLN O 2 10 LYS H 1.980 . 2.480 1.994 1.918 2.049 0.062 19 0 "[ . 1 . 2]" 2
140 2 6 GLN O 2 10 LYS N 2.980 2.980 3.480 2.941 2.870 2.999 0.110 19 0 "[ . 1 . 2]" 2
141 2 7 THR O 2 11 GLU H 2.090 2.090 2.590 2.136 2.057 2.440 0.033 4 0 "[ . 1 . 2]" 2
142 2 7 THR O 2 11 GLU N 3.090 3.090 3.590 3.072 2.995 3.383 0.095 4 0 "[ . 1 . 2]" 2
143 2 8 ARG O 2 12 LEU H 2.110 2.110 2.610 2.232 2.141 2.364 . 0 0 "[ . 1 . 2]" 2
144 2 8 ARG O 2 12 LEU N 3.110 3.110 3.610 3.088 3.034 3.174 0.076 14 0 "[ . 1 . 2]" 2
145 2 9 ASN O 2 13 LEU H 2.070 2.070 2.570 2.159 2.031 2.380 0.039 19 0 "[ . 1 . 2]" 2
146 2 9 ASN O 2 13 LEU N 3.070 3.070 3.570 3.131 2.995 3.332 0.075 19 0 "[ . 1 . 2]" 2
147 2 10 LYS O 2 14 LEU H 1.950 . 2.450 2.134 1.965 2.341 . 0 0 "[ . 1 . 2]" 2
148 2 10 LYS O 2 14 LEU N 2.950 2.950 3.450 3.033 2.923 3.183 0.027 11 0 "[ . 1 . 2]" 2
149 2 11 GLU O 2 15 LYS H 1.930 . 2.430 2.055 1.939 2.187 . 0 0 "[ . 1 . 2]" 2
150 2 11 GLU O 2 15 LYS N 2.930 2.930 3.430 3.002 2.895 3.138 0.035 16 0 "[ . 1 . 2]" 2
151 2 12 LEU O 2 16 LYS H 1.810 . 2.310 2.158 1.996 2.368 0.058 18 0 "[ . 1 . 2]" 2
152 2 12 LEU O 2 16 LYS N 2.810 2.810 3.310 3.035 2.891 3.245 . 0 0 "[ . 1 . 2]" 2
153 2 13 LEU O 2 17 ILE H 1.770 . 2.270 2.069 1.914 2.316 0.046 20 0 "[ . 1 . 2]" 2
154 2 13 LEU O 2 17 ILE N 2.770 2.770 3.270 3.000 2.866 3.226 . 0 0 "[ . 1 . 2]" 2
155 2 14 LEU O 2 18 ASP H 1.890 . 2.390 2.040 1.889 2.209 0.001 3 0 "[ . 1 . 2]" 2
156 2 14 LEU O 2 18 ASP N 2.890 2.890 3.390 2.954 2.827 3.095 0.063 3 0 "[ . 1 . 2]" 2
157 2 15 LYS O 2 19 SER H 2.130 2.130 2.630 2.185 2.123 2.406 0.007 20 0 "[ . 1 . 2]" 2
158 2 15 LYS O 2 19 SER N 3.130 3.130 3.630 3.122 3.082 3.324 0.048 20 0 "[ . 1 . 2]" 2
159 2 16 LYS O 2 20 LEU H 2.140 2.140 2.640 2.361 2.266 2.460 . 0 0 "[ . 1 . 2]" 2
160 2 16 LYS O 2 20 LEU N 3.140 3.140 3.640 3.128 3.040 3.224 0.100 16 0 "[ . 1 . 2]" 2
161 2 17 ILE O 2 21 ILE H 2.140 2.140 2.640 2.335 2.131 2.649 0.009 12 0 "[ . 1 . 2]" 2
162 2 17 ILE O 2 21 ILE N 3.140 3.140 3.640 3.279 3.091 3.556 0.049 12 0 "[ . 1 . 2]" 2
163 2 18 ASP O 2 22 GLU H 2.110 2.110 2.610 2.568 2.314 2.679 0.069 5 0 "[ . 1 . 2]" 2
164 2 18 ASP O 2 22 GLU N 3.110 3.110 3.610 3.458 3.198 3.599 . 0 0 "[ . 1 . 2]" 2
165 2 19 SER O 2 23 ALA H 1.790 . 2.290 2.017 1.799 2.242 . 0 0 "[ . 1 . 2]" 2
166 2 19 SER O 2 23 ALA N 2.790 2.790 3.290 2.922 2.763 3.136 0.027 18 0 "[ . 1 . 2]" 2
167 2 20 LEU O 2 24 ILE H 1.870 . 2.370 2.293 2.133 2.399 0.029 9 0 "[ . 1 . 2]" 2
168 2 20 LEU O 2 24 ILE N 2.870 2.870 3.370 3.244 3.071 3.369 . 0 0 "[ . 1 . 2]" 2
169 2 21 ILE O 2 25 LYS H 1.860 . 2.360 2.077 1.904 2.353 . 0 0 "[ . 1 . 2]" 2
170 2 21 ILE O 2 25 LYS N 2.860 2.860 3.360 2.982 2.823 3.207 0.037 4 0 "[ . 1 . 2]" 2
171 2 22 GLU O 2 26 LYS H 1.910 . 2.410 2.178 2.016 2.317 . 0 0 "[ . 1 . 2]" 2
172 2 22 GLU O 2 26 LYS N 2.910 2.910 3.410 3.010 2.888 3.178 0.022 18 0 "[ . 1 . 2]" 2
173 2 23 ALA O 2 27 ILE H 1.840 . 2.340 2.103 1.892 2.275 . 0 0 "[ . 1 . 2]" 2
174 2 23 ALA O 2 27 ILE N 2.840 2.840 3.340 3.000 2.835 3.144 0.005 12 0 "[ . 1 . 2]" 2
175 2 24 ILE O 2 28 ILE H 1.890 . 2.390 2.346 2.166 2.447 0.057 1 0 "[ . 1 . 2]" 2
176 2 24 ILE O 2 28 ILE N 2.890 2.890 3.390 3.308 3.136 3.400 0.010 1 0 "[ . 1 . 2]" 2
177 2 25 LYS O 2 29 ALA H 2.240 2.240 2.740 2.488 2.312 2.760 0.020 2 0 "[ . 1 . 2]" 2
178 2 25 LYS O 2 29 ALA N 3.240 3.240 3.740 3.353 3.201 3.627 0.039 3 0 "[ . 1 . 2]" 2
179 2 26 LYS O 2 30 GLU H 1.940 . 2.440 1.996 1.924 2.226 0.016 19 0 "[ . 1 . 2]" 2
180 2 26 LYS O 2 30 GLU N 2.940 2.940 3.440 2.940 2.880 3.149 0.060 19 0 "[ . 1 . 2]" 2
181 2 27 ILE O 2 31 PHE H 1.940 . 2.440 2.234 2.007 2.378 . 0 0 "[ . 1 . 2]" 2
182 2 27 ILE O 2 31 PHE N 2.940 2.940 3.440 3.156 2.948 3.311 . 0 0 "[ . 1 . 2]" 2
183 2 28 ILE O 2 32 ASP H 1.940 . 2.440 2.430 2.291 2.507 0.067 2 0 "[ . 1 . 2]" 2
184 2 28 ILE O 2 32 ASP N 2.940 2.940 3.440 3.352 3.198 3.445 0.005 9 0 "[ . 1 . 2]" 2
185 2 29 ALA O 2 33 VAL H 1.940 . 2.440 2.240 2.004 2.446 0.006 4 0 "[ . 1 . 2]" 2
186 2 29 ALA O 2 33 VAL N 2.940 2.940 3.440 3.166 2.929 3.383 0.011 14 0 "[ . 1 . 2]" 2
187 2 31 PHE O 2 35 LYS H 1.970 . 2.470 2.206 2.071 2.443 . 0 0 "[ . 1 . 2]" 2
188 2 31 PHE O 2 35 LYS N 2.970 2.970 3.470 3.086 2.946 3.324 0.024 4 0 "[ . 1 . 2]" 2
189 2 32 ASP O 2 36 GLU H 1.900 . 2.400 2.398 2.158 2.465 0.065 2 0 "[ . 1 . 2]" 2
190 2 32 ASP O 2 36 GLU N 2.900 2.900 3.400 3.321 3.116 3.408 0.008 11 0 "[ . 1 . 2]" 2
191 2 33 VAL O 2 37 SER H 1.820 . 2.320 1.963 1.855 2.148 . 0 0 "[ . 1 . 2]" 2
192 2 33 VAL O 2 37 SER N 2.820 2.820 3.320 2.889 2.774 3.070 0.046 11 0 "[ . 1 . 2]" 2
193 2 34 VAL O 2 38 VAL H 2.050 2.050 2.550 2.033 1.996 2.088 0.054 14 0 "[ . 1 . 2]" 2
194 2 34 VAL O 2 38 VAL N 3.050 3.050 3.550 3.002 2.964 3.061 0.086 9 0 "[ . 1 . 2]" 2
195 2 35 LYS O 2 39 ASN H 2.170 2.170 2.670 2.612 2.408 2.696 0.026 6 0 "[ . 1 . 2]" 2
196 2 35 LYS O 2 39 ASN N 3.170 3.170 3.670 3.422 3.256 3.523 . 0 0 "[ . 1 . 2]" 2
197 2 36 GLU O 2 40 GLU H 2.110 2.110 2.610 2.171 2.086 2.297 0.024 20 0 "[ . 1 . 2]" 2
198 2 36 GLU O 2 40 GLU N 3.110 3.110 3.610 3.124 3.024 3.246 0.086 2 0 "[ . 1 . 2]" 2
199 2 37 SER O 2 41 LEU H 2.000 . 2.500 2.044 1.960 2.218 0.040 14 0 "[ . 1 . 2]" 2
200 2 37 SER O 2 41 LEU N 3.000 3.000 3.500 2.969 2.892 3.091 0.108 14 0 "[ . 1 . 2]" 2
201 2 38 VAL O 2 42 SER H 2.000 . 2.500 2.046 1.979 2.180 0.021 8 0 "[ . 1 . 2]" 2
202 2 38 VAL O 2 42 SER N 3.000 3.000 3.500 2.948 2.888 3.023 0.112 2 0 "[ . 1 . 2]" 2
203 2 39 ASN O 2 43 GLU H 2.000 . 2.500 2.513 2.405 2.591 0.091 14 0 "[ . 1 . 2]" 2
204 2 39 ASN O 2 43 GLU N 3.000 3.000 3.500 3.394 3.281 3.501 0.001 10 0 "[ . 1 . 2]" 2
205 2 40 GLU O 2 44 LYS H 2.000 . 2.500 2.333 2.021 2.551 0.051 5 0 "[ . 1 . 2]" 2
206 2 40 GLU O 2 44 LYS N 3.000 3.000 3.500 3.225 2.949 3.434 0.051 16 0 "[ . 1 . 2]" 2
207 2 41 LEU O 2 45 ALA H 2.000 . 2.500 2.026 1.956 2.185 0.044 10 0 "[ . 1 . 2]" 2
208 2 41 LEU O 2 45 ALA N 3.000 3.000 3.500 2.932 2.900 3.064 0.100 12 0 "[ . 1 . 2]" 2
209 2 42 SER O 2 46 LYS H 2.000 . 2.500 2.354 2.104 2.533 0.033 16 0 "[ . 1 . 2]" 2
210 2 42 SER O 2 46 LYS N 3.000 3.000 3.500 3.054 2.953 3.189 0.047 10 0 "[ . 1 . 2]" 2
211 2 49 PRO O 2 53 GLU H 2.000 . 2.500 2.449 2.173 2.560 0.060 1 0 "[ . 1 . 2]" 2
212 2 49 PRO O 2 53 GLU N 3.000 3.000 3.500 3.256 3.042 3.418 . 0 0 "[ . 1 . 2]" 2
213 2 50 GLN O 2 54 LYS H 2.000 . 2.500 2.289 2.094 2.475 . 0 0 "[ . 1 . 2]" 2
214 2 50 GLN O 2 54 LYS N 3.000 3.000 3.500 3.142 2.975 3.291 0.025 14 0 "[ . 1 . 2]" 2
215 2 51 ALA O 2 55 LEU H 2.000 . 2.500 2.094 1.964 2.375 0.036 12 0 "[ . 1 . 2]" 2
216 2 51 ALA O 2 55 LEU N 3.000 3.000 3.500 3.035 2.896 3.314 0.104 12 0 "[ . 1 . 2]" 2
217 2 52 ALA O 2 56 ASN H 2.000 . 2.500 2.161 2.059 2.267 . 0 0 "[ . 1 . 2]" 2
218 2 52 ALA O 2 56 ASN N 3.000 3.000 3.500 2.950 2.898 3.089 0.102 17 0 "[ . 1 . 2]" 2
219 2 53 GLU O 2 57 LYS H 2.000 . 2.500 2.316 2.034 2.525 0.025 13 0 "[ . 1 . 2]" 2
220 2 53 GLU O 2 57 LYS N 3.000 3.000 3.500 3.240 2.948 3.462 0.052 8 0 "[ . 1 . 2]" 2
221 2 54 LYS O 2 58 LEU H 2.000 . 2.500 2.172 2.000 2.368 . 0 0 "[ . 1 . 2]" 2
222 2 54 LYS O 2 58 LEU N 3.000 3.000 3.500 3.033 2.915 3.209 0.085 8 0 "[ . 1 . 2]" 2
223 2 55 LEU O 2 59 ILE H 2.000 . 2.500 1.981 1.947 2.005 0.053 17 0 "[ . 1 . 2]" 2
224 2 55 LEU O 2 59 ILE N 3.000 3.000 3.500 2.956 2.915 2.982 0.085 17 0 "[ . 1 . 2]" 2
225 2 56 ASN O 2 60 GLU H 2.000 . 2.500 2.441 2.287 2.541 0.041 1 0 "[ . 1 . 2]" 2
226 2 56 ASN O 2 60 GLU N 3.000 3.000 3.500 3.319 3.171 3.413 . 0 0 "[ . 1 . 2]" 2
227 2 57 LYS O 2 61 GLY H 2.000 . 2.500 2.047 1.966 2.225 0.034 5 0 "[ . 1 . 2]" 2
228 2 57 LYS O 2 61 GLY N 3.000 3.000 3.500 2.948 2.865 3.051 0.135 20 0 "[ . 1 . 2]" 2
229 2 65 GLY O 2 69 LYS H 2.000 . 2.500 2.425 2.064 2.570 0.070 10 0 "[ . 1 . 2]" 2
230 2 65 GLY O 2 69 LYS N 3.000 3.000 3.500 3.323 2.984 3.465 0.016 1 0 "[ . 1 . 2]" 2
231 2 66 GLU O 2 70 LEU H 2.000 . 2.500 2.217 2.113 2.446 . 0 0 "[ . 1 . 2]" 2
232 2 66 GLU O 2 70 LEU N 3.000 3.000 3.500 3.033 2.940 3.228 0.060 18 0 "[ . 1 . 2]" 2
233 2 67 GLU O 2 71 TYR H 2.000 . 2.500 2.325 2.113 2.525 0.025 10 0 "[ . 1 . 2]" 2
234 2 67 GLU O 2 71 TYR N 3.000 3.000 3.500 3.175 3.003 3.362 . 0 0 "[ . 1 . 2]" 2
235 2 68 ARG O 2 72 ASP H 1.850 . 2.350 2.335 2.051 2.447 0.097 11 0 "[ . 1 . 2]" 2
236 2 68 ARG O 2 72 ASP N 2.850 2.850 3.350 3.247 3.014 3.368 0.018 11 0 "[ . 1 . 2]" 2
237 2 69 LYS O 2 73 SER H 1.970 . 2.470 2.076 1.976 2.351 . 0 0 "[ . 1 . 2]" 2
238 2 69 LYS O 2 73 SER N 2.970 2.970 3.470 2.976 2.898 3.218 0.072 20 0 "[ . 1 . 2]" 2
239 2 70 LEU O 2 74 ALA H 2.050 2.050 2.550 2.262 2.112 2.488 . 0 0 "[ . 1 . 2]" 2
240 2 70 LEU O 2 74 ALA N 3.050 3.050 3.550 3.032 2.966 3.206 0.084 10 0 "[ . 1 . 2]" 2
241 2 71 TYR O 2 75 LEU H 1.990 . 2.490 2.364 2.045 2.619 0.129 7 0 "[ . 1 . 2]" 2
242 2 71 TYR O 2 75 LEU N 2.990 2.990 3.490 3.232 2.959 3.448 0.031 13 0 "[ . 1 . 2]" 2
243 2 72 ASP O 2 76 SER H 2.000 . 2.500 2.390 2.204 2.566 0.066 6 0 "[ . 1 . 2]" 2
244 2 72 ASP O 2 76 SER N 3.000 3.000 3.500 3.245 3.088 3.438 . 0 0 "[ . 1 . 2]" 2
245 2 73 SER O 2 77 LYS H 2.270 2.270 2.770 2.476 2.366 2.642 . 0 0 "[ . 1 . 2]" 2
246 2 73 SER O 2 77 LYS N 3.270 3.270 3.770 3.271 3.174 3.486 0.096 17 0 "[ . 1 . 2]" 2
247 2 74 ALA O 2 78 ILE H 2.220 2.220 2.720 2.457 2.296 2.627 . 0 0 "[ . 1 . 2]" 2
248 2 74 ALA O 2 78 ILE N 3.220 3.220 3.720 3.305 3.188 3.468 0.032 7 0 "[ . 1 . 2]" 2
249 2 75 LEU O 2 79 GLU H 2.070 2.070 2.570 2.230 2.095 2.450 . 0 0 "[ . 1 . 2]" 2
250 2 75 LEU O 2 79 GLU N 3.070 3.070 3.570 3.130 3.004 3.336 0.066 7 0 "[ . 1 . 2]" 2
251 2 76 SER O 2 80 LYS H 2.020 2.020 2.520 2.376 2.114 2.587 0.067 8 0 "[ . 1 . 2]" 2
252 2 76 SER O 2 80 LYS N 3.020 3.020 3.520 3.252 3.029 3.449 . 0 0 "[ . 1 . 2]" 2
253 2 77 LYS O 2 81 LEU H 2.180 2.180 2.680 2.376 2.256 2.583 . 0 0 "[ . 1 . 2]" 2
254 2 77 LYS O 2 81 LEU N 3.180 3.180 3.680 3.238 3.126 3.427 0.054 3 0 "[ . 1 . 2]" 2
255 2 78 ILE O 2 82 ILE H 2.020 2.020 2.520 2.160 2.046 2.306 . 0 0 "[ . 1 . 2]" 2
256 2 78 ILE O 2 82 ILE N 3.020 3.020 3.520 3.066 2.938 3.209 0.082 17 0 "[ . 1 . 2]" 2
257 2 79 GLU O 2 83 GLU H 1.960 . 2.460 2.105 1.951 2.361 0.009 10 0 "[ . 1 . 2]" 2
258 2 79 GLU O 2 83 GLU N 2.960 2.960 3.460 3.013 2.884 3.235 0.076 10 0 "[ . 1 . 2]" 2
259 2 80 LYS O 2 84 THR H 2.150 2.150 2.650 2.289 1.967 2.833 0.183 6 0 "[ . 1 . 2]" 2
260 2 80 LYS O 2 84 THR N 3.150 3.150 3.650 3.046 2.732 3.576 0.418 3 0 "[ . 1 . 2]" 2
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