NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
522486 |
2lgi   |
17810 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2lgi
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 150
_Distance_constraint_stats_list.Viol_count 135
_Distance_constraint_stats_list.Viol_total 166.122
_Distance_constraint_stats_list.Viol_max 0.371
_Distance_constraint_stats_list.Viol_rms 0.0447
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0111
_Distance_constraint_stats_list.Viol_average_violations_only 0.1231
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 MET 1.673 0.273 8 0 "[ . 1]"
1 2 GLN 1.673 0.273 8 0 "[ . 1]"
1 3 TYR 1.153 0.157 6 0 "[ . 1]"
1 4 LYS 0.000 0.000 . 0 "[ . 1]"
1 5 LEU 3.822 0.314 5 0 "[ . 1]"
1 6 ILE 0.000 0.000 . 0 "[ . 1]"
1 7 LEU 0.000 0.000 . 0 "[ . 1]"
1 8 ASN 2.227 0.279 1 0 "[ . 1]"
1 9 GLY 0.000 0.000 . 0 "[ . 1]"
1 10 LYS 0.000 0.000 . 0 "[ . 1]"
1 11 THR 0.000 0.000 . 0 "[ . 1]"
1 12 LEU 2.227 0.279 1 0 "[ . 1]"
1 13 LYS 2.459 0.371 1 0 "[ . 1]"
1 14 GLY 2.459 0.371 1 0 "[ . 1]"
1 15 GLU 0.000 0.000 . 0 "[ . 1]"
1 16 THR 1.337 0.198 8 0 "[ . 1]"
1 17 THR 0.000 0.000 . 0 "[ . 1]"
1 18 THR 0.000 0.000 . 0 "[ . 1]"
1 19 GLU 0.000 0.000 . 0 "[ . 1]"
1 20 ALA 1.176 0.097 1 0 "[ . 1]"
1 21 VAL 0.919 0.097 1 0 "[ . 1]"
1 22 ASP 0.257 0.053 1 0 "[ . 1]"
1 23 ALA 1.153 0.157 6 0 "[ . 1]"
1 24 ALA 0.157 0.040 10 0 "[ . 1]"
1 25 THR 0.157 0.040 10 0 "[ . 1]"
1 26 ALA 0.000 0.000 . 0 "[ . 1]"
1 27 GLU 1.373 0.162 8 0 "[ . 1]"
1 28 LYS 1.373 0.162 8 0 "[ . 1]"
1 29 VAL 0.000 0.000 . 0 "[ . 1]"
1 31 LYS 0.000 0.000 . 0 "[ . 1]"
1 32 GLN 0.000 0.000 . 0 "[ . 1]"
1 33 TYR 2.486 0.314 5 0 "[ . 1]"
1 34 ALA 0.000 0.000 . 0 "[ . 1]"
1 35 ASN 0.000 0.000 . 0 "[ . 1]"
1 36 ASP 0.000 0.000 . 0 "[ . 1]"
1 37 ASN 0.000 0.000 . 0 "[ . 1]"
1 38 GLY 0.000 0.000 . 0 "[ . 1]"
1 39 VAL 0.000 0.000 . 0 "[ . 1]"
1 40 ASP 0.000 0.000 . 0 "[ . 1]"
1 41 GLY 0.000 0.000 . 0 "[ . 1]"
1 42 GLU 0.000 0.000 . 0 "[ . 1]"
1 43 TRP 0.092 0.036 8 0 "[ . 1]"
1 44 THR 0.676 0.091 7 0 "[ . 1]"
1 45 TYR 0.584 0.091 7 0 "[ . 1]"
1 46 ASP 0.000 0.000 . 0 "[ . 1]"
1 47 ASP 0.000 0.000 . 0 "[ . 1]"
1 48 ALA 0.353 0.050 10 0 "[ . 1]"
1 49 THR 0.353 0.050 10 0 "[ . 1]"
1 50 LYS 0.000 0.000 . 0 "[ . 1]"
1 51 THR 0.000 0.000 . 0 "[ . 1]"
1 52 PHE 0.000 0.000 . 0 "[ . 1]"
1 53 THR 0.000 0.000 . 0 "[ . 1]"
1 54 VAL 1.544 0.132 10 0 "[ . 1]"
1 55 THR 1.544 0.132 10 0 "[ . 1]"
1 56 GLU 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 1 MET C 1 1 MET CG 2.750 . 4.500 3.434 3.344 3.456 . 0 0 "[ . 1]" 1
2 1 1 MET C 1 2 GLN CA 2.750 . 4.500 2.445 2.439 2.460 . 0 0 "[ . 1]" 1
3 1 1 MET C 1 2 GLN CG 2.750 . 4.500 4.596 4.172 4.773 0.273 8 0 "[ . 1]" 1
4 1 1 MET CB 1 1 MET CE 3.290 . 4.500 3.109 3.040 3.368 . 0 0 "[ . 1]" 1
5 1 1 MET CA 1 1 MET CE 3.290 . 5.580 3.650 3.524 3.872 . 0 0 "[ . 1]" 1
6 1 2 GLN C 1 2 GLN CG 2.750 . 4.500 3.121 2.874 3.671 . 0 0 "[ . 1]" 1
7 1 3 TYR C 1 4 LYS CB 2.750 . 4.500 3.384 3.369 3.398 . 0 0 "[ . 1]" 1
8 1 4 LYS C 1 4 LYS CG 2.750 . 4.500 3.140 2.984 3.319 . 0 0 "[ . 1]" 1
9 1 4 LYS C 1 5 LEU CA 2.750 . 4.500 2.436 2.432 2.443 . 0 0 "[ . 1]" 1
10 1 4 LYS CB 1 5 LEU CA 3.290 . 5.100 4.590 4.574 4.613 . 0 0 "[ . 1]" 1
11 1 5 LEU CA 1 5 LEU CD1 2.750 . 4.500 2.846 2.836 2.858 . 0 0 "[ . 1]" 1
12 1 5 LEU CD1 1 33 TYR CZ 2.750 . 4.500 4.749 4.657 4.814 0.314 5 0 "[ . 1]" 1
13 1 6 ILE C 1 6 ILE CG2 2.750 . 4.500 2.890 2.748 2.961 . 0 0 "[ . 1]" 1
14 1 6 ILE C 1 7 LEU CA 2.125 . 3.250 2.409 2.400 2.433 . 0 0 "[ . 1]" 1
15 1 6 ILE C 1 7 LEU CD1 2.750 . 4.500 3.830 3.083 4.028 . 0 0 "[ . 1]" 1
16 1 6 ILE CA 1 6 ILE CD1 3.290 . 5.100 2.909 2.860 2.933 . 0 0 "[ . 1]" 1
17 1 6 ILE CA 1 7 LEU CA 3.290 . 4.500 3.768 3.752 3.819 . 0 0 "[ . 1]" 1
18 1 6 ILE CD1 1 6 ILE CG2 2.750 . 4.500 3.198 3.016 3.866 . 0 0 "[ . 1]" 1
19 1 7 LEU CA 1 7 LEU CD1 2.750 . 4.500 2.965 2.728 3.039 . 0 0 "[ . 1]" 1
20 1 7 LEU CA 1 54 VAL CG1 3.290 . 5.580 4.239 3.696 4.424 . 0 0 "[ . 1]" 1
21 1 8 ASN CA 1 9 GLY C 3.290 . 5.100 4.579 4.515 4.637 . 0 0 "[ . 1]" 1
22 1 9 GLY C 1 10 LYS CA 2.750 . 4.500 2.407 2.397 2.419 . 0 0 "[ . 1]" 1
23 1 10 LYS C 1 10 LYS CG 2.750 . 4.500 3.034 3.007 3.061 . 0 0 "[ . 1]" 1
24 1 10 LYS C 1 11 THR CA 2.750 . 4.500 2.446 2.442 2.449 . 0 0 "[ . 1]" 1
25 1 10 LYS C 1 11 THR CB 3.290 . 5.100 3.538 3.532 3.548 . 0 0 "[ . 1]" 1
26 1 11 THR C 1 11 THR CG2 2.750 . 4.500 3.835 3.828 3.875 . 0 0 "[ . 1]" 1
27 1 11 THR CA 1 12 LEU CA 3.290 . 4.500 3.819 3.805 3.825 . 0 0 "[ . 1]" 1
28 1 11 THR CB 1 12 LEU CA 3.290 . 5.100 4.599 4.581 4.617 . 0 0 "[ . 1]" 1
29 1 10 LYS C 1 11 THR CG2 2.750 . 4.500 3.751 3.662 3.787 . 0 0 "[ . 1]" 1
30 1 12 LEU CA 1 12 LEU CD1 2.750 . 4.500 3.043 2.983 3.126 . 0 0 "[ . 1]" 1
31 1 13 LYS C 1 13 LYS CD 3.290 . 5.100 4.900 4.525 5.022 . 0 0 "[ . 1]" 1
32 1 13 LYS C 1 13 LYS CG 2.750 . 4.500 3.599 3.017 3.794 . 0 0 "[ . 1]" 1
33 1 13 LYS CA 1 13 LYS CD 3.290 . 5.100 3.820 3.782 3.873 . 0 0 "[ . 1]" 1
34 1 13 LYS CB 1 13 LYS CE 3.290 . 5.100 3.123 3.029 3.337 . 0 0 "[ . 1]" 1
35 1 13 LYS CG 1 14 GLY C 2.750 . 6.100 6.262 5.682 6.471 0.371 1 0 "[ . 1]" 1
36 1 16 THR C 1 16 THR CG2 2.750 . 4.500 2.777 2.761 2.794 . 0 0 "[ . 1]" 1
37 1 17 THR C 1 17 THR CG2 2.750 . 4.500 3.396 2.872 3.825 . 0 0 "[ . 1]" 1
38 1 17 THR C 1 18 THR CG2 3.290 . 5.580 4.276 4.251 4.294 . 0 0 "[ . 1]" 1
39 1 18 THR C 1 18 THR CG2 2.750 . 4.500 2.740 2.728 2.755 . 0 0 "[ . 1]" 1
40 1 18 THR CB 1 19 GLU CA 3.290 . 4.500 4.482 4.474 4.493 . 0 0 "[ . 1]" 1
41 1 19 GLU C 1 20 ALA CB 3.290 . 4.500 3.301 3.292 3.313 . 0 0 "[ . 1]" 1
42 1 20 ALA C 1 21 VAL CA 3.290 . 5.100 2.412 2.406 2.417 . 0 0 "[ . 1]" 1
43 1 20 ALA CB 1 21 VAL C 2.750 . 4.500 4.592 4.585 4.597 0.097 1 0 "[ . 1]" 1
44 1 3 TYR CZ 1 23 ALA CB 2.750 . 5.100 5.215 5.183 5.257 0.157 6 0 "[ . 1]" 1
45 1 23 ALA CB 1 45 TYR CZ 3.290 . 5.100 3.616 3.417 3.907 . 0 0 "[ . 1]" 1
46 1 24 ALA C 1 25 THR CA 2.750 . 4.500 2.437 2.430 2.448 . 0 0 "[ . 1]" 1
47 1 24 ALA C 1 25 THR CB 2.750 . 4.500 3.653 3.626 3.682 . 0 0 "[ . 1]" 1
48 1 24 ALA CB 1 25 THR CA 2.750 . 4.500 4.504 4.467 4.540 0.040 10 0 "[ . 1]" 1
49 1 24 ALA C 1 25 THR CG2 3.290 . 5.100 4.460 4.100 4.812 . 0 0 "[ . 1]" 1
50 1 25 THR C 1 25 THR CG2 2.750 . 4.500 3.468 3.071 3.857 . 0 0 "[ . 1]" 1
51 1 27 GLU C 1 27 GLU CG 2.750 . 3.250 2.838 2.825 2.848 . 0 0 "[ . 1]" 1
52 1 26 ALA CA 1 27 GLU CB 3.290 . 5.100 4.910 4.900 4.922 . 0 0 "[ . 1]" 1
53 1 28 LYS CA 1 28 LYS CD 2.750 . 4.500 3.870 3.865 3.875 . 0 0 "[ . 1]" 1
54 1 28 LYS CB 1 28 LYS CE 2.750 . 4.500 3.232 3.210 3.253 . 0 0 "[ . 1]" 1
55 1 29 VAL C 1 29 VAL CG1 3.290 . 4.500 2.787 2.782 2.795 . 0 0 "[ . 1]" 1
56 1 32 GLN C 1 32 GLN CG 2.750 . 4.500 2.829 2.784 2.919 . 0 0 "[ . 1]" 1
57 1 33 TYR C 1 33 TYR CD1 2.750 . 4.500 3.160 2.999 3.605 . 0 0 "[ . 1]" 1
58 1 33 TYR C 1 34 ALA CA 3.290 . 4.500 2.410 2.393 2.419 . 0 0 "[ . 1]" 1
59 1 33 TYR C 1 34 ALA CB 2.750 . 4.500 3.686 3.672 3.698 . 0 0 "[ . 1]" 1
60 1 33 TYR C 1 35 ASN CA 3.290 . 5.100 4.423 4.395 4.446 . 0 0 "[ . 1]" 1
61 1 34 ALA CB 1 35 ASN CA 2.750 . 4.500 4.466 4.422 4.492 . 0 0 "[ . 1]" 1
62 1 35 ASN C 1 36 ASP CA 2.750 . 4.500 2.411 2.382 2.448 . 0 0 "[ . 1]" 1
63 1 35 ASN C 1 36 ASP CB 2.750 . 4.500 3.697 3.678 3.716 . 0 0 "[ . 1]" 1
64 1 36 ASP C 1 37 ASN CA 2.750 . 4.500 2.436 2.427 2.446 . 0 0 "[ . 1]" 1
65 1 36 ASP C 1 37 ASN CB 2.750 . 4.500 3.591 3.544 3.623 . 0 0 "[ . 1]" 1
66 1 39 VAL C 1 39 VAL CG1 2.750 . 4.500 2.946 2.838 3.018 . 0 0 "[ . 1]" 1
67 1 39 VAL CG1 1 56 GLU CG 2.750 . 4.500 3.590 3.492 3.748 . 0 0 "[ . 1]" 1
68 1 41 GLY C 1 42 GLU CA 2.750 . 4.500 2.430 2.424 2.441 . 0 0 "[ . 1]" 1
69 1 41 GLY C 1 42 GLU CB 2.750 . 4.500 3.592 3.577 3.607 . 0 0 "[ . 1]" 1
70 1 43 TRP C 1 43 TRP CG 2.750 . 4.500 3.737 3.721 3.744 . 0 0 "[ . 1]" 1
71 1 43 TRP C 1 44 THR CA 2.750 . 4.500 2.434 2.427 2.446 . 0 0 "[ . 1]" 1
72 1 43 TRP C 1 44 THR CB 2.750 . 4.500 3.280 3.249 3.312 . 0 0 "[ . 1]" 1
73 1 43 TRP CE2 1 54 VAL CG1 2.750 . 4.500 2.908 2.871 2.931 . 0 0 "[ . 1]" 1
74 1 44 THR C 1 44 THR CG2 3.290 . 4.500 3.034 3.011 3.048 . 0 0 "[ . 1]" 1
75 1 43 TRP C 1 44 THR CG2 2.750 . 4.500 3.665 3.641 3.698 . 0 0 "[ . 1]" 1
76 1 45 TYR C 1 45 TYR CD1 3.290 . 4.500 3.371 3.332 3.413 . 0 0 "[ . 1]" 1
77 1 45 TYR C 1 45 TYR CZ 3.290 . 5.100 4.831 4.810 4.865 . 0 0 "[ . 1]" 1
78 1 45 TYR C 1 46 ASP CA 2.750 . 4.500 2.442 2.439 2.444 . 0 0 "[ . 1]" 1
79 1 45 TYR C 1 46 ASP CB 2.750 . 4.500 3.507 3.487 3.525 . 0 0 "[ . 1]" 1
80 1 47 ASP C 1 48 ALA CB 3.290 . 5.100 3.662 3.653 3.671 . 0 0 "[ . 1]" 1
81 1 48 ALA C 1 49 THR CB 2.750 . 4.500 3.532 3.525 3.537 . 0 0 "[ . 1]" 1
82 1 48 ALA C 1 49 THR CG2 2.750 . 4.500 3.768 3.723 3.840 . 0 0 "[ . 1]" 1
83 1 49 THR C 1 50 LYS CA 2.750 . 4.500 2.430 2.425 2.440 . 0 0 "[ . 1]" 1
84 1 50 LYS C 1 50 LYS CG 2.750 . 4.500 3.836 3.831 3.841 . 0 0 "[ . 1]" 1
85 1 50 LYS C 1 51 THR CA 2.750 . 4.500 2.442 2.438 2.445 . 0 0 "[ . 1]" 1
86 1 50 LYS C 1 51 THR CB 2.750 . 4.500 3.427 3.411 3.436 . 0 0 "[ . 1]" 1
87 1 50 LYS CA 1 50 LYS CD 2.750 . 4.500 2.971 2.949 3.023 . 0 0 "[ . 1]" 1
88 1 51 THR C 1 51 THR CG2 2.750 . 4.500 2.926 2.915 2.945 . 0 0 "[ . 1]" 1
89 1 5 LEU CD1 1 53 THR C 2.750 . 4.500 4.109 4.070 4.171 . 0 0 "[ . 1]" 1
90 1 52 PHE CB 1 53 THR CA 3.290 . 5.100 4.460 4.445 4.479 . 0 0 "[ . 1]" 1
91 1 54 VAL C 1 54 VAL CG1 2.750 . 4.500 2.637 2.615 2.652 . 0 0 "[ . 1]" 1
92 1 54 VAL C 1 55 THR CA 2.750 . 4.500 2.423 2.416 2.431 . 0 0 "[ . 1]" 1
93 1 54 VAL C 1 55 THR CB 2.125 . 3.250 3.294 3.265 3.320 0.070 2 0 "[ . 1]" 1
94 1 55 THR C 1 56 GLU CA 2.750 . 4.500 2.433 2.427 2.440 . 0 0 "[ . 1]" 1
95 1 55 THR CB 1 56 GLU CA 3.290 . 5.100 4.691 4.673 4.711 . 0 0 "[ . 1]" 1
96 1 54 VAL C 1 55 THR CG2 3.290 . 4.500 4.611 4.597 4.632 0.132 10 0 "[ . 1]" 1
97 1 55 THR C 1 55 THR CG2 2.750 . 4.500 2.931 2.887 2.993 . 0 0 "[ . 1]" 1
98 1 56 GLU C 1 56 GLU CG 2.750 . 4.500 3.819 3.810 3.828 . 0 0 "[ . 1]" 1
99 1 55 THR CA 1 56 GLU CA 3.290 . 4.500 3.795 3.786 3.809 . 0 0 "[ . 1]" 1
100 1 1 MET CB 1 2 GLN CA 3.650 . 5.100 4.693 4.667 4.814 . 0 0 "[ . 1]" 1
101 1 2 GLN C 1 3 TYR CZ 3.050 . 5.100 4.729 4.709 4.773 . 0 0 "[ . 1]" 1
102 1 3 TYR C 1 3 TYR CD1 3.050 . 5.100 4.385 4.137 4.455 . 0 0 "[ . 1]" 1
103 1 2 GLN C 1 3 TYR CD1 3.050 . 5.100 3.402 3.347 3.437 . 0 0 "[ . 1]" 1
104 1 3 TYR CD1 1 20 ALA CB 3.650 . 5.700 3.744 3.616 4.327 . 0 0 "[ . 1]" 1
105 1 1 MET CB 1 3 TYR CZ 3.650 . 6.300 3.896 3.782 4.542 . 0 0 "[ . 1]" 1
106 1 3 TYR CZ 1 26 ALA CB 3.050 . 5.100 4.177 3.953 4.288 . 0 0 "[ . 1]" 1
107 1 4 LYS C 1 5 LEU CD1 3.650 . 6.300 4.900 4.806 4.932 . 0 0 "[ . 1]" 1
108 1 5 LEU C 1 16 THR CG2 3.650 . 5.700 5.834 5.756 5.898 0.198 8 0 "[ . 1]" 1
109 1 5 LEU CA 1 6 ILE CA 3.650 . 5.700 3.821 3.800 3.836 . 0 0 "[ . 1]" 1
110 1 5 LEU CD1 1 16 THR CB 3.050 . 5.100 4.417 4.324 4.643 . 0 0 "[ . 1]" 1
111 1 5 LEU CD1 1 52 PHE CB 3.050 . 5.100 4.164 3.799 4.281 . 0 0 "[ . 1]" 1
112 1 5 LEU CA 1 6 ILE CG1 3.650 . 6.100 4.822 4.695 5.203 . 0 0 "[ . 1]" 1
113 1 6 ILE CG1 1 53 THR CB 3.050 . 6.100 4.846 4.625 5.548 . 0 0 "[ . 1]" 1
114 1 7 LEU CA 1 8 ASN CA 3.050 . 5.100 3.778 3.771 3.795 . 0 0 "[ . 1]" 1
115 1 7 LEU CD1 1 33 TYR CZ 3.050 . 5.100 3.906 3.680 4.384 . 0 0 "[ . 1]" 1
116 1 7 LEU CD1 1 54 VAL CG1 3.650 . 6.000 3.581 3.198 4.624 . 0 0 "[ . 1]" 1
117 1 8 ASN C 1 55 THR CB 3.650 . 6.100 4.559 4.532 4.605 . 0 0 "[ . 1]" 1
118 1 9 GLY C 1 10 LYS C 3.050 . 5.100 3.042 2.998 3.091 . 0 0 "[ . 1]" 1
119 1 8 ASN CA 1 12 LEU CD1 3.650 . 6.300 6.523 6.437 6.579 0.279 1 0 "[ . 1]" 1
120 1 12 LEU CD1 1 37 ASN C 3.650 . 6.300 5.001 4.883 5.131 . 0 0 "[ . 1]" 1
121 1 15 GLU CA 1 16 THR CA 3.050 . 5.100 3.810 3.800 3.821 . 0 0 "[ . 1]" 1
122 1 16 THR CG2 1 17 THR C 3.650 . 5.100 4.353 4.289 4.428 . 0 0 "[ . 1]" 1
123 1 18 THR CA 1 19 GLU CA 3.050 . 5.100 3.792 3.787 3.798 . 0 0 "[ . 1]" 1
124 1 18 THR CB 1 19 GLU C 3.650 . 6.300 4.779 4.746 4.805 . 0 0 "[ . 1]" 1
125 1 19 GLU CA 1 20 ALA CB 3.650 . 6.100 4.559 4.536 4.577 . 0 0 "[ . 1]" 1
126 1 20 ALA C 1 22 ASP CA 3.650 . 5.100 4.425 4.404 4.446 . 0 0 "[ . 1]" 1
127 1 3 TYR CZ 1 20 ALA CB 3.050 . 5.100 3.978 3.902 4.044 . 0 0 "[ . 1]" 1
128 1 20 ALA CB 1 25 THR CB 3.050 . 5.100 3.909 3.735 4.066 . 0 0 "[ . 1]" 1
129 1 20 ALA CB 1 22 ASP CG 3.650 . 6.100 6.120 6.071 6.153 0.053 1 0 "[ . 1]" 1
130 1 24 ALA C 1 25 THR C 3.050 . 5.100 3.238 3.225 3.247 . 0 0 "[ . 1]" 1
131 1 27 GLU CB 1 28 LYS CB 3.050 . 5.100 5.237 5.219 5.262 0.162 8 0 "[ . 1]" 1
132 1 31 LYS C 1 32 GLN CG 3.050 . 5.100 4.903 4.884 4.919 . 0 0 "[ . 1]" 1
133 1 31 LYS CA 1 31 LYS CD 3.650 . 6.300 3.839 3.819 3.850 . 0 0 "[ . 1]" 1
134 1 31 LYS CB 1 32 GLN CA 3.650 . 5.100 4.505 4.462 4.538 . 0 0 "[ . 1]" 1
135 1 32 GLN CA 1 33 TYR CB 3.050 . 5.100 4.793 4.771 4.812 . 0 0 "[ . 1]" 1
136 1 36 ASP CB 1 37 ASN CA 3.050 . 5.100 4.629 4.570 4.694 . 0 0 "[ . 1]" 1
137 1 38 GLY C 1 40 ASP CA 3.650 . 5.700 5.223 5.177 5.252 . 0 0 "[ . 1]" 1
138 1 39 VAL CG1 1 40 ASP CA 3.050 . 5.100 4.426 4.244 4.540 . 0 0 "[ . 1]" 1
139 1 43 TRP C 1 43 TRP CD1 3.650 . 5.100 4.651 4.626 4.671 . 0 0 "[ . 1]" 1
140 1 43 TRP CB 1 44 THR C 3.050 . 5.100 5.095 5.028 5.136 0.036 8 0 "[ . 1]" 1
141 1 44 THR CB 1 45 TYR C 3.050 . 5.100 5.158 5.133 5.191 0.091 7 0 "[ . 1]" 1
142 1 48 ALA CB 1 49 THR C 3.650 . 5.700 5.735 5.717 5.750 0.050 10 0 "[ . 1]" 1
143 1 48 ALA CB 1 49 THR CA 3.050 . 5.100 4.583 4.562 4.594 . 0 0 "[ . 1]" 1
144 1 49 THR C 1 49 THR CG2 3.650 . 5.300 3.838 3.823 3.845 . 0 0 "[ . 1]" 1
145 1 48 ALA CB 1 49 THR CB 3.650 . 5.700 5.122 5.095 5.142 . 0 0 "[ . 1]" 1
146 1 49 THR CB 1 50 LYS CA 3.050 . 5.100 4.689 4.674 4.708 . 0 0 "[ . 1]" 1
147 1 50 LYS CB 1 50 LYS CE 3.050 . 5.100 3.838 3.831 3.881 . 0 0 "[ . 1]" 1
148 1 50 LYS CB 1 51 THR CA 3.050 . 5.100 4.906 4.898 4.912 . 0 0 "[ . 1]" 1
149 1 55 THR CB 1 56 GLU CB 3.650 . 6.100 5.868 5.849 5.880 . 0 0 "[ . 1]" 1
150 1 55 THR CB 1 56 GLU C 3.650 . 5.700 5.041 5.014 5.086 . 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 460
_Distance_constraint_stats_list.Viol_count 444
_Distance_constraint_stats_list.Viol_total 988.353
_Distance_constraint_stats_list.Viol_max 1.946
_Distance_constraint_stats_list.Viol_rms 0.1111
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0215
_Distance_constraint_stats_list.Viol_average_violations_only 0.2226
_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 1 MET 2.447 0.276 7 0 "[ . 1]"
1 2 GLN 1.045 0.221 1 0 "[ . 1]"
1 3 TYR 10.480 0.344 6 0 "[ . 1]"
1 4 LYS 2.028 0.226 6 0 "[ . 1]"
1 5 LEU 4.827 0.233 7 0 "[ . 1]"
1 6 ILE 6.263 0.379 6 0 "[ . 1]"
1 7 LEU 12.976 0.515 6 1 "[ .+ 1]"
1 8 ASN 0.975 0.154 9 0 "[ . 1]"
1 9 GLY 0.016 0.016 3 0 "[ . 1]"
1 10 LYS 0.446 0.080 3 0 "[ . 1]"
1 11 THR 2.531 0.292 3 0 "[ . 1]"
1 12 LEU 4.484 0.292 3 0 "[ . 1]"
1 13 LYS 0.074 0.052 10 0 "[ . 1]"
1 14 GLY 0.577 0.198 6 0 "[ . 1]"
1 15 GLU 0.000 0.000 . 0 "[ . 1]"
1 16 THR 0.000 0.000 . 0 "[ . 1]"
1 17 THR 0.000 0.000 . 0 "[ . 1]"
1 18 THR 6.424 0.344 6 0 "[ . 1]"
1 19 GLU 5.073 0.276 7 0 "[ . 1]"
1 20 ALA 0.257 0.044 1 0 "[ . 1]"
1 21 VAL 3.443 0.371 4 0 "[ . 1]"
1 22 ASP 3.945 0.371 4 0 "[ . 1]"
1 23 ALA 2.597 0.289 6 0 "[ . 1]"
1 24 ALA 1.650 0.334 9 0 "[ . 1]"
1 25 THR 2.056 0.334 9 0 "[ . 1]"
1 26 ALA 0.000 0.000 . 0 "[ . 1]"
1 27 GLU 0.255 0.046 6 0 "[ . 1]"
1 28 LYS 0.990 0.082 8 0 "[ . 1]"
1 29 VAL 0.000 0.000 . 0 "[ . 1]"
1 30 PHE 3.304 0.240 9 0 "[ . 1]"
1 31 LYS 1.103 0.174 6 0 "[ . 1]"
1 32 GLN 12.124 0.872 2 9 [*+**-****1]
1 33 TYR 8.972 0.872 2 9 [*+**-****1]
1 34 ALA 0.000 0.000 . 0 "[ . 1]"
1 35 ASN 0.000 0.000 . 0 "[ . 1]"
1 36 ASP 4.726 0.499 4 0 "[ . 1]"
1 37 ASN 0.000 0.000 . 0 "[ . 1]"
1 38 GLY 0.963 0.141 10 0 "[ . 1]"
1 39 VAL 2.421 0.286 6 0 "[ . 1]"
1 40 ASP 0.000 0.000 . 0 "[ . 1]"
1 41 GLY 3.509 0.286 6 0 "[ . 1]"
1 42 GLU 0.286 0.073 8 0 "[ . 1]"
1 43 TRP 7.436 0.409 8 0 "[ . 1]"
1 44 THR 24.621 1.946 1 10 [+******-**]
1 45 TYR 0.000 0.000 . 0 "[ . 1]"
1 46 ASP 0.012 0.012 9 0 "[ . 1]"
1 47 ASP 1.449 0.244 3 0 "[ . 1]"
1 48 ALA 3.563 0.244 3 0 "[ . 1]"
1 49 THR 2.069 0.246 7 0 "[ . 1]"
1 50 LYS 6.091 0.246 7 0 "[ . 1]"
1 51 THR 0.851 0.162 1 0 "[ . 1]"
1 52 PHE 19.082 1.946 1 10 [+******-**]
1 53 THR 3.441 0.476 9 0 "[ . 1]"
1 54 VAL 1.760 0.190 2 0 "[ . 1]"
1 55 THR 5.273 0.515 6 1 "[ .+ 1]"
1 56 GLU 4.470 0.249 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 1 MET C 1 1 MET CE 4.000 . 6.100 3.330 3.119 3.465 . 0 0 "[ . 1]" 2
2 1 1 MET CB 1 2 GLN C 3.350 . 5.700 5.224 5.158 5.583 . 0 0 "[ . 1]" 2
3 1 2 GLN CA 1 3 TYR CB 4.000 . 6.100 4.719 4.701 4.730 . 0 0 "[ . 1]" 2
4 1 3 TYR CB 1 4 LYS CB 4.000 . 5.700 5.535 5.494 5.563 . 0 0 "[ . 1]" 2
5 1 3 TYR CD1 1 26 ALA CB 4.000 . 5.700 3.501 3.357 3.608 . 0 0 "[ . 1]" 2
6 1 3 TYR CZ 1 50 LYS CD 4.000 . 6.400 5.323 5.121 5.752 . 0 0 "[ . 1]" 2
7 1 4 LYS C 1 4 LYS CD 3.350 . 5.700 4.528 4.405 4.670 . 0 0 "[ . 1]" 2
8 1 4 LYS CD 1 5 LEU CA 4.000 . 6.100 5.850 5.686 6.088 . 0 0 "[ . 1]" 2
9 1 5 LEU CA 1 6 ILE CB 4.000 . 6.100 4.807 4.788 4.822 . 0 0 "[ . 1]" 2
10 1 5 LEU CA 1 6 ILE CG2 4.000 . 6.400 6.182 6.147 6.198 . 0 0 "[ . 1]" 2
11 1 5 LEU CD1 1 6 ILE CB 3.350 . 5.700 4.821 4.734 5.133 . 0 0 "[ . 1]" 2
12 1 5 LEU CD1 1 43 TRP CE2 4.000 . 6.100 5.608 5.519 5.653 . 0 0 "[ . 1]" 2
13 1 6 ILE C 1 54 VAL CG1 4.000 . 7.000 4.813 4.703 4.887 . 0 0 "[ . 1]" 2
14 1 6 ILE CA 1 7 LEU CD1 3.350 . 5.700 4.598 3.592 4.847 . 0 0 "[ . 1]" 2
15 1 6 ILE CA 1 14 GLY C 4.000 . 5.700 5.042 4.964 5.218 . 0 0 "[ . 1]" 2
16 1 6 ILE CB 1 7 LEU CD1 4.000 . 5.700 5.833 4.928 6.062 0.362 7 0 "[ . 1]" 2
17 1 6 ILE CG1 1 7 LEU CA 3.350 . 5.700 6.002 5.849 6.079 0.379 6 0 "[ . 1]" 2
18 1 6 ILE CG2 1 14 GLY C 4.000 . 7.000 5.680 5.576 5.959 . 0 0 "[ . 1]" 2
19 1 7 LEU CD1 1 14 GLY C 4.000 . 7.000 3.584 2.983 3.770 . 0 0 "[ . 1]" 2
20 1 10 LYS C 1 10 LYS CD 2.900 . 4.800 4.446 4.427 4.471 . 0 0 "[ . 1]" 2
21 1 10 LYS CB 1 11 THR CA 3.350 . 5.700 4.598 4.581 4.615 . 0 0 "[ . 1]" 2
22 1 10 LYS CB 1 11 THR CB 3.350 . 5.700 5.138 5.114 5.169 . 0 0 "[ . 1]" 2
23 1 10 LYS CB 1 11 THR CG2 3.350 . 5.700 4.876 4.630 4.933 . 0 0 "[ . 1]" 2
24 1 12 LEU CD1 1 37 ASN CB 3.350 . 5.700 3.748 3.619 3.871 . 0 0 "[ . 1]" 2
25 1 15 GLU C 1 15 GLU CG 3.350 . 5.700 3.844 3.732 3.870 . 0 0 "[ . 1]" 2
26 1 15 GLU CA 1 16 THR CB 3.350 . 5.700 4.531 4.514 4.565 . 0 0 "[ . 1]" 2
27 1 15 GLU CB 1 16 THR CB 4.000 . 7.000 5.524 5.507 5.561 . 0 0 "[ . 1]" 2
28 1 15 GLU CG 1 16 THR CB 4.000 . 7.100 6.815 6.721 6.990 . 0 0 "[ . 1]" 2
29 1 15 GLU CA 1 16 THR CG2 4.000 . 7.000 5.986 5.965 6.040 . 0 0 "[ . 1]" 2
30 1 17 THR CB 1 18 THR C 4.000 . 6.100 5.294 5.245 5.325 . 0 0 "[ . 1]" 2
31 1 18 THR C 1 20 ALA CB 4.000 . 6.400 5.444 5.391 5.480 . 0 0 "[ . 1]" 2
32 1 18 THR CG2 1 19 GLU CA 3.350 . 5.700 4.445 4.417 4.477 . 0 0 "[ . 1]" 2
33 1 19 GLU CG 1 20 ALA CB 4.000 . 6.100 5.926 5.827 6.038 . 0 0 "[ . 1]" 2
34 1 20 ALA CB 1 21 VAL CA 4.000 . 7.000 4.391 4.374 4.406 . 0 0 "[ . 1]" 2
35 1 20 ALA CB 1 22 ASP CA 3.350 . 5.700 4.829 4.793 4.843 . 0 0 "[ . 1]" 2
36 1 20 ALA CB 1 24 ALA C 4.000 . 7.000 6.529 6.421 6.629 . 0 0 "[ . 1]" 2
37 1 20 ALA CB 1 25 THR CG2 4.000 . 7.000 4.648 4.255 5.087 . 0 0 "[ . 1]" 2
38 1 20 ALA CB 1 21 VAL CG1 3.350 . 5.700 4.833 4.734 4.921 . 0 0 "[ . 1]" 2
39 1 23 ALA C 1 27 GLU CG 3.350 . 5.700 4.509 4.371 4.626 . 0 0 "[ . 1]" 2
40 1 24 ALA C 1 27 GLU CA 4.000 . 6.100 4.996 4.957 5.036 . 0 0 "[ . 1]" 2
41 1 24 ALA C 1 27 GLU CB 4.000 . 7.000 4.622 4.581 4.662 . 0 0 "[ . 1]" 2
42 1 24 ALA C 1 27 GLU CG 3.350 . 5.700 3.936 3.897 3.992 . 0 0 "[ . 1]" 2
43 1 24 ALA C 1 28 LYS CD 4.000 . 6.400 5.212 5.117 5.305 . 0 0 "[ . 1]" 2
44 1 22 ASP CA 1 24 ALA CB 3.350 . 5.700 5.559 5.467 5.680 . 0 0 "[ . 1]" 2
45 1 24 ALA CB 1 25 THR CG2 4.000 . 6.100 5.777 5.110 6.434 0.334 9 0 "[ . 1]" 2
46 1 26 ALA C 1 28 LYS CA 3.350 . 5.700 4.504 4.473 4.527 . 0 0 "[ . 1]" 2
47 1 26 ALA CB 1 27 GLU CA 3.350 . 5.700 4.512 4.493 4.533 . 0 0 "[ . 1]" 2
48 1 29 VAL C 1 32 GLN CG 3.350 . 5.700 5.361 5.219 5.516 . 0 0 "[ . 1]" 2
49 1 31 LYS CB 1 31 LYS CE 3.350 . 5.700 3.868 3.839 3.889 . 0 0 "[ . 1]" 2
50 1 31 LYS CB 1 43 TRP CE2 4.000 . 6.400 4.851 4.554 5.085 . 0 0 "[ . 1]" 2
51 1 31 LYS CD 1 43 TRP CE2 4.000 . 5.700 4.958 4.718 5.201 . 0 0 "[ . 1]" 2
52 1 33 TYR C 1 33 TYR CZ 4.000 . 6.100 4.702 4.681 4.727 . 0 0 "[ . 1]" 2
53 1 16 THR CG2 1 33 TYR CZ 4.000 . 6.400 4.474 4.162 4.798 . 0 0 "[ . 1]" 2
54 1 34 ALA CB 1 39 VAL CG1 4.000 . 6.000 3.738 3.604 3.830 . 0 0 "[ . 1]" 2
55 1 34 ALA CB 1 43 TRP CE2 3.350 . 5.700 4.641 4.523 4.718 . 0 0 "[ . 1]" 2
56 1 34 ALA CB 1 43 TRP CH2 3.350 . 5.700 3.704 3.589 3.815 . 0 0 "[ . 1]" 2
57 1 35 ASN CA 1 36 ASP CA 4.000 . 5.700 3.774 3.760 3.791 . 0 0 "[ . 1]" 2
58 1 35 ASN CB 1 36 ASP CA 3.350 . 5.700 4.428 4.401 4.454 . 0 0 "[ . 1]" 2
59 1 36 ASP CA 1 37 ASN CA 4.000 . 5.300 3.805 3.778 3.823 . 0 0 "[ . 1]" 2
60 1 36 ASP CA 1 37 ASN CB 4.000 . 6.100 4.781 4.751 4.803 . 0 0 "[ . 1]" 2
61 1 36 ASP CB 1 37 ASN CB 3.350 . 5.700 5.308 5.245 5.370 . 0 0 "[ . 1]" 2
62 1 35 ASN CA 1 36 ASP CG 4.000 . 6.400 5.131 5.081 5.324 . 0 0 "[ . 1]" 2
63 1 37 ASN CB 1 39 VAL CG1 4.000 . 5.700 3.966 3.796 4.372 . 0 0 "[ . 1]" 2
64 1 38 GLY C 1 40 ASP CB 3.350 . 5.700 5.401 5.311 5.479 . 0 0 "[ . 1]" 2
65 1 37 ASN CA 1 39 VAL CG1 3.350 . 5.700 4.588 4.421 4.961 . 0 0 "[ . 1]" 2
66 1 40 ASP CB 1 41 GLY C 4.000 . 6.100 5.783 5.740 5.821 . 0 0 "[ . 1]" 2
67 1 41 GLY C 1 56 GLU CB 3.350 . 5.700 5.698 5.660 5.741 0.041 10 0 "[ . 1]" 2
68 1 41 GLY C 1 56 GLU CG 3.350 . 5.700 5.447 5.396 5.525 . 0 0 "[ . 1]" 2
69 1 42 GLU CA 1 43 TRP C 3.350 . 5.700 4.742 4.729 4.767 . 0 0 "[ . 1]" 2
70 1 42 GLU CA 1 43 TRP CB 3.350 . 5.700 4.649 4.615 4.671 . 0 0 "[ . 1]" 2
71 1 43 TRP C 1 43 TRP CE3 4.000 . 6.100 4.964 4.889 5.022 . 0 0 "[ . 1]" 2
72 1 43 TRP CB 1 44 THR CA 3.350 . 5.700 4.465 4.430 4.480 . 0 0 "[ . 1]" 2
73 1 43 TRP CB 1 44 THR CB 3.350 . 5.700 5.541 5.519 5.557 . 0 0 "[ . 1]" 2
74 1 43 TRP CD1 1 44 THR CA 4.000 . 6.650 6.825 6.800 6.844 0.194 4 0 "[ . 1]" 2
75 1 43 TRP CD1 1 54 VAL C 4.000 . 6.400 5.893 5.795 6.015 . 0 0 "[ . 1]" 2
76 1 43 TRP CD1 1 54 VAL CG1 4.000 . 6.400 3.648 3.581 3.720 . 0 0 "[ . 1]" 2
77 1 43 TRP CE3 1 54 VAL CG1 4.000 . 5.700 4.055 3.956 4.147 . 0 0 "[ . 1]" 2
78 1 43 TRP CH2 1 54 VAL CG1 4.000 . 5.700 3.465 3.333 3.571 . 0 0 "[ . 1]" 2
79 1 43 TRP CZ2 1 54 VAL CG1 4.000 . 6.100 3.037 2.989 3.086 . 0 0 "[ . 1]" 2
80 1 44 THR C 1 45 TYR CB 3.350 . 5.700 3.285 3.266 3.302 . 0 0 "[ . 1]" 2
81 1 45 TYR C 1 47 ASP CA 3.350 . 5.700 5.387 5.354 5.404 . 0 0 "[ . 1]" 2
82 1 45 TYR CZ 1 47 ASP CA 4.000 . 6.100 3.565 3.526 3.632 . 0 0 "[ . 1]" 2
83 1 47 ASP C 1 49 THR CB 4.000 . 6.100 5.537 5.507 5.553 . 0 0 "[ . 1]" 2
84 1 47 ASP CA 1 48 ALA C 3.350 . 5.700 4.490 4.479 4.503 . 0 0 "[ . 1]" 2
85 1 47 ASP CB 1 48 ALA C 3.350 . 5.700 5.568 5.532 5.592 . 0 0 "[ . 1]" 2
86 1 47 ASP CB 1 48 ALA CB 4.000 . 5.700 5.430 5.369 5.469 . 0 0 "[ . 1]" 2
87 1 48 ALA C 1 49 THR CA 3.350 . 4.800 2.447 2.443 2.452 . 0 0 "[ . 1]" 2
88 1 46 ASP CB 1 49 THR CB 3.350 . 5.700 4.356 4.304 4.402 . 0 0 "[ . 1]" 2
89 1 50 LYS CB 1 51 THR CB 3.350 . 5.700 5.683 5.655 5.702 0.002 3 0 "[ . 1]" 2
90 1 50 LYS CB 1 51 THR C 4.000 . 6.650 6.013 6.004 6.019 . 0 0 "[ . 1]" 2
91 1 44 THR CB 1 52 PHE C 4.000 . 6.400 6.142 6.100 6.179 . 0 0 "[ . 1]" 2
92 1 54 VAL C 1 56 GLU CA 3.350 . 5.700 5.685 5.665 5.709 0.009 2 0 "[ . 1]" 2
93 1 54 VAL CG1 1 55 THR CA 4.000 . 6.650 4.124 4.087 4.151 . 0 0 "[ . 1]" 2
94 1 54 VAL CG1 1 55 THR CB 4.000 . 6.100 5.211 5.188 5.235 . 0 0 "[ . 1]" 2
95 1 55 THR CB 1 56 GLU CG 3.350 . 5.700 5.917 5.901 5.949 0.249 7 0 "[ . 1]" 2
96 1 55 THR CG2 1 56 GLU CA 3.350 . 5.700 4.495 4.437 4.568 . 0 0 "[ . 1]" 2
97 1 1 MET CE 1 3 TYR CZ 4.250 . 7.500 3.035 3.026 3.052 . 0 0 "[ . 1]" 2
98 1 1 MET CE 1 19 GLU CG 3.550 . 6.400 6.645 6.557 6.676 0.276 7 0 "[ . 1]" 2
99 1 1 MET CG 1 3 TYR CZ 4.250 . 6.400 4.395 4.137 4.461 . 0 0 "[ . 1]" 2
100 1 2 GLN CA 1 3 TYR CZ 3.550 . 6.100 5.138 4.900 5.232 . 0 0 "[ . 1]" 2
101 1 2 GLN CA 1 19 GLU CA 4.250 . 7.500 4.346 4.262 4.380 . 0 0 "[ . 1]" 2
102 1 2 GLN CD 1 19 GLU CB 4.250 . 7.500 5.167 4.075 6.196 . 0 0 "[ . 1]" 2
103 1 2 GLN CD 1 19 GLU CG 4.250 . 7.500 5.184 4.281 5.860 . 0 0 "[ . 1]" 2
104 1 2 GLN CD 1 50 LYS CA 4.250 . 9.250 9.191 8.987 9.346 0.096 7 0 "[ . 1]" 2
105 1 3 TYR C 1 3 TYR CZ 3.550 . 6.100 6.383 6.321 6.404 0.304 8 0 "[ . 1]" 2
106 1 3 TYR CB 1 20 ALA CB 4.250 . 7.500 5.820 5.662 6.680 . 0 0 "[ . 1]" 2
107 1 3 TYR CZ 1 18 THR C 4.250 . 6.650 6.733 6.490 6.778 0.128 6 0 "[ . 1]" 2
108 1 5 LEU CD1 1 33 TYR CB 3.550 . 6.100 5.250 4.984 5.426 . 0 0 "[ . 1]" 2
109 1 6 ILE C 1 6 ILE CG1 3.550 . 4.500 3.807 3.788 3.826 . 0 0 "[ . 1]" 2
110 1 6 ILE CG2 1 53 THR CB 3.550 . 6.100 4.593 4.172 4.852 . 0 0 "[ . 1]" 2
111 1 6 ILE CG2 1 53 THR CG2 3.550 . 6.000 4.640 4.360 4.939 . 0 0 "[ . 1]" 2
112 1 6 ILE CD1 1 7 LEU C 4.250 . 7.500 6.968 6.847 7.330 . 0 0 "[ . 1]" 2
113 1 7 LEU C 1 54 VAL CG1 4.250 . 7.500 5.036 4.660 5.178 . 0 0 "[ . 1]" 2
114 1 6 ILE CD1 1 7 LEU CA 4.250 . 6.650 6.350 6.262 6.668 0.018 10 0 "[ . 1]" 2
115 1 7 LEU CD1 1 33 TYR C 4.250 . 7.500 6.793 6.521 7.615 0.115 6 0 "[ . 1]" 2
116 1 7 LEU CD1 1 43 TRP CE3 4.250 . 7.500 7.104 6.800 7.675 0.175 10 0 "[ . 1]" 2
117 1 7 LEU CD1 1 43 TRP CH2 3.550 . 6.100 5.629 5.305 6.385 0.285 10 0 "[ . 1]" 2
118 1 7 LEU CD1 1 43 TRP CZ2 4.250 . 7.500 6.126 5.832 7.104 . 0 0 "[ . 1]" 2
119 1 7 LEU CD1 1 8 ASN C 4.250 . 7.500 6.051 5.786 6.207 . 0 0 "[ . 1]" 2
120 1 8 ASN C 1 54 VAL CB 4.250 . 7.500 6.532 6.470 6.662 . 0 0 "[ . 1]" 2
121 1 9 GLY C 1 56 GLU C 4.250 . 6.400 5.633 5.480 5.832 . 0 0 "[ . 1]" 2
122 1 11 THR CB 1 12 LEU CD1 4.250 . 6.100 6.353 6.301 6.392 0.292 3 0 "[ . 1]" 2
123 1 5 LEU CA 1 16 THR C 4.250 . 7.500 4.498 4.450 4.574 . 0 0 "[ . 1]" 2
124 1 16 THR CB 1 17 THR CG2 4.250 . 6.400 6.055 5.942 6.180 . 0 0 "[ . 1]" 2
125 1 18 THR CB 1 29 VAL CG1 4.250 . 6.100 4.378 4.163 4.611 . 0 0 "[ . 1]" 2
126 1 18 THR CB 1 30 PHE CB 4.250 . 7.500 6.813 6.563 6.977 . 0 0 "[ . 1]" 2
127 1 18 THR CG2 1 20 ALA CB 4.250 . 6.000 4.999 4.901 5.090 . 0 0 "[ . 1]" 2
128 1 1 MET CB 1 19 GLU CG 3.550 . 6.100 5.410 5.331 5.485 . 0 0 "[ . 1]" 2
129 1 1 MET CE 1 20 ALA C 4.250 . 7.500 6.138 5.952 6.200 . 0 0 "[ . 1]" 2
130 1 20 ALA C 1 21 VAL CG1 3.550 . 6.100 3.895 3.839 3.933 . 0 0 "[ . 1]" 2
131 1 18 THR CB 1 20 ALA CB 4.250 . 7.500 6.120 6.055 6.210 . 0 0 "[ . 1]" 2
132 1 22 ASP CA 1 23 ALA CB 4.250 . 7.500 4.836 4.808 4.850 . 0 0 "[ . 1]" 2
133 1 20 ALA CB 1 22 ASP CB 3.550 . 6.100 6.124 6.087 6.144 0.044 1 0 "[ . 1]" 2
134 1 3 TYR CZ 1 23 ALA CA 3.550 . 6.100 4.388 4.316 4.453 . 0 0 "[ . 1]" 2
135 1 23 ALA CA 1 27 GLU CA 3.550 . 6.100 5.569 5.420 5.636 . 0 0 "[ . 1]" 2
136 1 24 ALA C 1 26 ALA CB 4.250 . 7.500 5.770 5.747 5.805 . 0 0 "[ . 1]" 2
137 1 24 ALA C 1 28 LYS CE 3.550 . 6.100 3.996 3.900 4.096 . 0 0 "[ . 1]" 2
138 1 25 THR CA 1 27 GLU CA 4.250 . 7.500 5.380 5.346 5.419 . 0 0 "[ . 1]" 2
139 1 25 THR CB 1 27 GLU CA 4.250 . 7.500 6.708 6.681 6.741 . 0 0 "[ . 1]" 2
140 1 26 ALA C 1 27 GLU CG 3.550 . 6.100 4.496 4.467 4.535 . 0 0 "[ . 1]" 2
141 1 32 GLN CA 1 35 ASN CA 4.250 . 6.100 4.770 4.602 4.946 . 0 0 "[ . 1]" 2
142 1 32 GLN CA 1 36 ASP CA 3.550 . 6.100 5.535 5.406 5.652 . 0 0 "[ . 1]" 2
143 1 32 GLN CG 1 36 ASP CB 3.550 . 6.100 4.599 4.387 4.738 . 0 0 "[ . 1]" 2
144 1 33 TYR C 1 37 ASN CB 4.250 . 6.400 4.155 4.081 4.251 . 0 0 "[ . 1]" 2
145 1 34 ALA CB 1 43 TRP CE3 4.250 . 7.500 6.008 5.902 6.110 . 0 0 "[ . 1]" 2
146 1 32 GLN CG 1 36 ASP C 4.250 . 6.400 6.786 6.679 6.899 0.499 4 0 "[ . 1]" 2
147 1 32 GLN CG 1 36 ASP CA 4.250 . 6.650 5.465 5.364 5.552 . 0 0 "[ . 1]" 2
148 1 12 LEU CD1 1 38 GLY C 3.550 . 6.100 6.196 6.147 6.241 0.141 10 0 "[ . 1]" 2
149 1 37 ASN CB 1 38 GLY CA 4.250 . 6.100 4.812 4.782 4.840 . 0 0 "[ . 1]" 2
150 1 43 TRP C 1 43 TRP CE2 4.250 . 6.400 5.873 5.836 5.899 . 0 0 "[ . 1]" 2
151 1 43 TRP CE2 1 54 VAL C 4.250 . 6.400 5.486 5.444 5.518 . 0 0 "[ . 1]" 2
152 1 43 TRP CG 1 44 THR CG2 3.550 . 6.100 6.479 6.432 6.509 0.409 8 0 "[ . 1]" 2
153 1 34 ALA CB 1 43 TRP CZ2 4.250 . 7.500 3.404 3.298 3.489 . 0 0 "[ . 1]" 2
154 1 45 TYR CD1 1 47 ASP CA 3.550 . 6.100 5.063 5.027 5.108 . 0 0 "[ . 1]" 2
155 1 45 TYR CZ 1 46 ASP CA 3.550 . 6.100 4.697 4.669 4.745 . 0 0 "[ . 1]" 2
156 1 45 TYR CZ 1 47 ASP C 4.250 . 7.500 4.790 4.753 4.857 . 0 0 "[ . 1]" 2
157 1 45 TYR CZ 1 47 ASP CG 4.250 . 6.100 5.263 4.790 5.593 . 0 0 "[ . 1]" 2
158 1 45 TYR CZ 1 50 LYS C 3.550 . 6.100 4.972 4.859 5.077 . 0 0 "[ . 1]" 2
159 1 47 ASP C 1 51 THR CA 4.250 . 7.500 7.290 7.269 7.330 . 0 0 "[ . 1]" 2
160 1 48 ALA C 1 51 THR CA 4.250 . 7.500 7.328 7.287 7.369 . 0 0 "[ . 1]" 2
161 1 48 ALA CB 1 49 THR CG2 4.250 . 6.650 4.884 4.788 5.005 . 0 0 "[ . 1]" 2
162 1 49 THR C 1 51 THR CB 4.250 . 7.500 4.394 4.358 4.456 . 0 0 "[ . 1]" 2
163 1 46 ASP CA 1 49 THR CB 4.250 . 7.500 5.428 5.396 5.475 . 0 0 "[ . 1]" 2
164 1 49 THR CB 1 50 LYS CB 4.250 . 6.100 5.492 5.474 5.509 . 0 0 "[ . 1]" 2
165 1 49 THR CB 1 50 LYS CG 4.250 . 6.100 5.799 5.694 5.831 . 0 0 "[ . 1]" 2
166 1 49 THR CB 1 51 THR CA 4.250 . 6.100 5.098 5.043 5.158 . 0 0 "[ . 1]" 2
167 1 48 ALA CB 1 50 LYS CB 4.250 . 7.500 7.713 7.695 7.741 0.241 6 0 "[ . 1]" 2
168 1 50 LYS CG 1 51 THR CA 4.250 . 7.500 6.230 6.207 6.240 . 0 0 "[ . 1]" 2
169 1 50 LYS CG 1 51 THR CB 4.250 . 7.500 6.912 6.860 6.939 . 0 0 "[ . 1]" 2
170 1 50 LYS CD 1 51 THR CA 4.250 . 6.650 6.735 6.711 6.812 0.162 1 0 "[ . 1]" 2
171 1 5 LEU CD1 1 53 THR CG2 4.250 . 6.400 5.659 5.601 5.692 . 0 0 "[ . 1]" 2
172 1 54 VAL CG1 1 55 THR C 3.550 . 6.100 4.461 4.386 4.510 . 0 0 "[ . 1]" 2
173 1 55 THR CA 1 56 GLU CG 3.550 . 6.100 4.566 4.538 4.597 . 0 0 "[ . 1]" 2
174 1 41 GLY C 1 56 GLU C 4.250 . 7.500 5.979 5.932 6.065 . 0 0 "[ . 1]" 2
175 1 55 THR CA 1 56 GLU C 3.550 . 6.100 4.557 4.534 4.581 . 0 0 "[ . 1]" 2
176 1 56 GLU C 1 56 GLU CD 3.550 . 5.600 4.942 4.927 4.962 . 0 0 "[ . 1]" 2
177 1 1 MET CE 1 2 GLN CA 4.450 . 7.900 3.736 3.535 3.788 . 0 0 "[ . 1]" 2
178 1 3 TYR CB 1 5 LEU CA 4.450 . 6.650 6.804 6.741 6.840 0.190 2 0 "[ . 1]" 2
179 1 4 LYS C 1 6 ILE CG2 4.450 . 7.900 7.491 7.383 7.585 . 0 0 "[ . 1]" 2
180 1 5 LEU CD1 1 43 TRP CE3 3.700 . 6.400 4.670 4.390 4.847 . 0 0 "[ . 1]" 2
181 1 5 LEU CD1 1 53 THR CB 3.700 . 6.400 5.092 5.050 5.156 . 0 0 "[ . 1]" 2
182 1 7 LEU CD1 1 55 THR CB 4.450 . 7.900 8.210 8.076 8.415 0.515 6 1 "[ .+ 1]" 2
183 1 8 ASN C 1 9 GLY C 3.700 . 6.400 3.263 3.185 3.326 . 0 0 "[ . 1]" 2
184 1 9 GLY C 1 56 GLU CD 3.700 . 6.400 4.413 4.300 4.539 . 0 0 "[ . 1]" 2
185 1 15 GLU CB 1 16 THR C 3.700 . 6.400 5.082 5.050 5.126 . 0 0 "[ . 1]" 2
186 1 16 THR CG2 1 17 THR CB 4.450 . 6.400 5.473 5.416 5.514 . 0 0 "[ . 1]" 2
187 1 17 THR CB 1 18 THR CG2 4.450 . 7.900 6.421 6.393 6.448 . 0 0 "[ . 1]" 2
188 1 24 ALA C 1 28 LYS CB 4.450 . 7.900 5.280 5.232 5.322 . 0 0 "[ . 1]" 2
189 1 25 THR CB 1 26 ALA CB 3.700 . 6.400 5.203 5.172 5.234 . 0 0 "[ . 1]" 2
190 1 27 GLU CG 1 30 PHE CB 4.450 . 7.900 7.255 7.089 7.334 . 0 0 "[ . 1]" 2
191 1 30 PHE CB 1 32 GLN CA 3.700 . 6.400 6.620 6.596 6.640 0.240 9 0 "[ . 1]" 2
192 1 32 GLN CG 1 35 ASN CB 3.700 . 6.400 5.581 5.275 5.852 . 0 0 "[ . 1]" 2
193 1 33 TYR C 1 37 ASN CA 4.450 . 6.650 4.648 4.593 4.695 . 0 0 "[ . 1]" 2
194 1 40 ASP CG 1 41 GLY C 3.700 . 6.400 5.527 5.405 5.598 . 0 0 "[ . 1]" 2
195 1 43 TRP CG 1 54 VAL CG1 4.450 . 7.900 3.967 3.926 4.014 . 0 0 "[ . 1]" 2
196 1 46 ASP CA 1 47 ASP C 4.450 . 7.900 4.557 4.544 4.568 . 0 0 "[ . 1]" 2
197 1 3 TYR CZ 1 50 LYS CB 4.450 . 7.900 5.911 5.792 6.330 . 0 0 "[ . 1]" 2
198 1 49 THR CB 1 50 LYS CD 3.700 . 6.400 6.607 6.478 6.646 0.246 7 0 "[ . 1]" 2
199 1 5 LEU CA 1 52 PHE C 4.450 . 6.650 4.125 4.084 4.186 . 0 0 "[ . 1]" 2
200 1 7 LEU CD1 1 53 THR CB 3.700 . 8.700 7.179 6.848 7.294 . 0 0 "[ . 1]" 2
201 1 43 TRP CE3 1 54 VAL C 4.450 . 7.900 5.889 5.804 5.954 . 0 0 "[ . 1]" 2
202 1 2 GLN CB 1 3 TYR CD1 4.600 . 8.200 5.366 5.087 5.484 . 0 0 "[ . 1]" 2
203 1 3 TYR CZ 1 22 ASP CA 4.600 . 8.200 3.880 3.846 3.918 . 0 0 "[ . 1]" 2
204 1 6 ILE CG2 1 7 LEU CD1 3.825 . 6.650 6.107 5.235 6.341 . 0 0 "[ . 1]" 2
205 1 7 LEU CD1 1 53 THR CG2 3.825 . 7.650 7.977 7.480 8.126 0.476 9 0 "[ . 1]" 2
206 1 8 ASN C 1 54 VAL CG1 4.600 . 8.200 5.538 5.461 5.661 . 0 0 "[ . 1]" 2
207 1 14 GLY C 1 15 GLU CB 3.825 . 6.650 3.307 3.261 3.378 . 0 0 "[ . 1]" 2
208 1 15 GLU C 1 16 THR CG2 3.825 . 6.650 4.696 4.677 4.706 . 0 0 "[ . 1]" 2
209 1 5 LEU CD1 1 17 THR C 4.600 . 8.200 7.485 7.399 7.581 . 0 0 "[ . 1]" 2
210 1 18 THR CB 1 19 GLU CG 3.825 . 6.650 6.913 6.895 6.925 0.275 9 0 "[ . 1]" 2
211 1 22 ASP CG 1 26 ALA CB 4.600 . 8.200 7.049 6.953 7.142 . 0 0 "[ . 1]" 2
212 1 3 TYR CB 1 27 GLU CA 4.600 . 8.200 7.568 7.450 7.734 . 0 0 "[ . 1]" 2
213 1 29 VAL CG1 1 30 PHE CB 4.600 . 8.200 5.342 5.328 5.353 . 0 0 "[ . 1]" 2
214 1 32 GLN CA 1 34 ALA C 3.825 . 6.650 5.304 5.159 5.438 . 0 0 "[ . 1]" 2
215 1 40 ASP C 1 56 GLU CD 3.825 . 6.650 4.170 4.101 4.276 . 0 0 "[ . 1]" 2
216 1 41 GLY C 1 56 GLU CD 4.600 . 8.200 6.707 6.641 6.795 . 0 0 "[ . 1]" 2
217 1 43 TRP C 1 43 TRP CH2 4.600 . 8.200 7.226 7.157 7.285 . 0 0 "[ . 1]" 2
218 1 43 TRP CD1 1 44 THR CG2 4.600 . 8.200 7.475 7.407 7.508 . 0 0 "[ . 1]" 2
219 1 50 LYS CD 1 51 THR CB 4.600 . 8.200 7.610 7.589 7.636 . 0 0 "[ . 1]" 2
220 1 5 LEU CD1 1 52 PHE C 3.825 . 6.650 3.707 3.526 3.766 . 0 0 "[ . 1]" 2
221 1 5 LEU CA 1 53 THR CB 4.600 . 8.200 6.382 6.347 6.408 . 0 0 "[ . 1]" 2
222 1 7 LEU CD1 1 54 VAL C 4.600 . 8.200 5.677 5.457 6.241 . 0 0 "[ . 1]" 2
223 1 43 TRP CH2 1 54 VAL C 4.600 . 8.200 6.005 5.920 6.075 . 0 0 "[ . 1]" 2
224 1 1 MET C 1 2 GLN CB 3.300 . 5.100 3.548 3.424 3.610 . 0 0 "[ . 1]" 2
225 1 2 GLN C 1 3 TYR CA 2.750 . 4.500 2.466 2.462 2.479 . 0 0 "[ . 1]" 2
226 1 2 GLN C 1 3 TYR CG 3.300 . 5.100 3.446 3.426 3.477 . 0 0 "[ . 1]" 2
227 1 3 TYR CA 1 3 TYR CE1 3.300 . 4.500 4.389 4.358 4.408 . 0 0 "[ . 1]" 2
228 1 3 TYR CA 1 4 LYS CA 3.300 . 5.100 3.806 3.800 3.815 . 0 0 "[ . 1]" 2
229 1 4 LYS CA 1 5 LEU C 3.300 . 5.600 4.666 4.633 4.698 . 0 0 "[ . 1]" 2
230 1 5 LEU C 1 5 LEU CG 2.750 . 4.500 3.305 3.270 3.443 . 0 0 "[ . 1]" 2
231 1 5 LEU C 1 6 ILE CA 2.750 . 4.500 2.444 2.420 2.462 . 0 0 "[ . 1]" 2
232 1 5 LEU C 1 6 ILE CB 2.750 . 4.500 3.588 3.565 3.601 . 0 0 "[ . 1]" 2
233 1 4 LYS CA 1 5 LEU CB 2.750 . 4.500 4.703 4.667 4.726 0.226 6 0 "[ . 1]" 2
234 1 7 LEU C 1 7 LEU CG 2.750 . 4.500 3.764 3.482 3.821 . 0 0 "[ . 1]" 2
235 1 7 LEU CA 1 8 ASN C 3.300 . 5.100 4.608 4.558 4.634 . 0 0 "[ . 1]" 2
236 1 8 ASN C 1 9 GLY CA 2.750 . 4.500 2.425 2.407 2.437 . 0 0 "[ . 1]" 2
237 1 7 LEU C 1 8 ASN CA 2.750 . 4.500 2.436 2.430 2.444 . 0 0 "[ . 1]" 2
238 1 8 ASN CA 1 9 GLY CA 3.300 . 5.600 3.799 3.773 3.811 . 0 0 "[ . 1]" 2
239 1 9 GLY CA 1 10 LYS CA 3.300 . 5.100 3.767 3.753 3.778 . 0 0 "[ . 1]" 2
240 1 9 GLY CA 1 56 GLU CD 3.300 . 5.100 3.809 3.676 4.013 . 0 0 "[ . 1]" 2
241 1 10 LYS CA 1 11 THR C 3.300 . 5.100 4.678 4.660 4.705 . 0 0 "[ . 1]" 2
242 1 10 LYS CA 1 11 THR CA 3.300 . 4.500 3.813 3.807 3.821 . 0 0 "[ . 1]" 2
243 1 10 LYS CE 1 56 GLU C 3.300 . 5.600 5.644 5.592 5.680 0.080 3 0 "[ . 1]" 2
244 1 10 LYS CE 1 56 GLU CD 3.300 . 5.600 4.681 4.429 4.842 . 0 0 "[ . 1]" 2
245 1 11 THR C 1 12 LEU CB 3.300 . 5.100 3.360 3.338 3.380 . 0 0 "[ . 1]" 2
246 1 11 THR CA 1 12 LEU C 3.300 . 5.100 4.798 4.768 4.815 . 0 0 "[ . 1]" 2
247 1 9 GLY CA 1 12 LEU C 3.300 . 5.100 3.865 3.773 4.069 . 0 0 "[ . 1]" 2
248 1 12 LEU C 1 12 LEU CG 2.750 . 4.500 3.004 2.935 3.092 . 0 0 "[ . 1]" 2
249 1 12 LEU C 1 13 LYS CA 2.750 . 4.500 2.450 2.437 2.460 . 0 0 "[ . 1]" 2
250 1 12 LEU CG 1 13 LYS CA 3.300 . 5.100 4.618 4.502 4.770 . 0 0 "[ . 1]" 2
251 1 13 LYS C 1 14 GLY CA 3.300 . 5.100 2.438 2.428 2.448 . 0 0 "[ . 1]" 2
252 1 12 LEU CB 1 13 LYS CA 3.300 . 5.100 4.748 4.732 4.766 . 0 0 "[ . 1]" 2
253 1 13 LYS CA 1 14 GLY CA 2.750 . 4.500 3.804 3.780 3.827 . 0 0 "[ . 1]" 2
254 1 13 LYS CA 1 13 LYS CE 2.750 . 4.500 4.190 3.983 4.552 0.052 10 0 "[ . 1]" 2
255 1 14 GLY CA 1 15 GLU C 3.300 . 5.100 4.806 4.784 4.842 . 0 0 "[ . 1]" 2
256 1 16 THR C 1 17 THR CB 3.300 . 5.100 3.406 3.388 3.427 . 0 0 "[ . 1]" 2
257 1 16 THR CB 1 17 THR C 3.300 . 5.600 5.270 5.225 5.323 . 0 0 "[ . 1]" 2
258 1 17 THR C 1 18 THR CA 2.750 . 4.500 2.449 2.439 2.455 . 0 0 "[ . 1]" 2
259 1 17 THR C 1 18 THR CB 3.300 . 5.600 3.273 3.269 3.284 . 0 0 "[ . 1]" 2
260 1 18 THR C 1 19 GLU CA 3.300 . 4.500 2.416 2.412 2.421 . 0 0 "[ . 1]" 2
261 1 18 THR C 1 20 ALA CA 3.300 . 5.600 5.321 5.283 5.343 . 0 0 "[ . 1]" 2
262 1 19 GLU C 1 20 ALA CA 2.750 . 4.500 2.431 2.427 2.434 . 0 0 "[ . 1]" 2
263 1 19 GLU CA 1 20 ALA CA 3.300 . 5.100 3.793 3.789 3.800 . 0 0 "[ . 1]" 2
264 1 20 ALA C 1 21 VAL CB 3.300 . 5.100 3.689 3.682 3.695 . 0 0 "[ . 1]" 2
265 1 20 ALA CA 1 21 VAL CA 3.300 . 5.100 3.776 3.770 3.783 . 0 0 "[ . 1]" 2
266 1 21 VAL CB 1 22 ASP C 3.300 . 5.100 5.444 5.425 5.471 0.371 4 0 "[ . 1]" 2
267 1 22 ASP C 1 23 ALA CA 2.750 . 4.500 2.433 2.426 2.438 . 0 0 "[ . 1]" 2
268 1 21 VAL CA 1 22 ASP CA 3.300 . 5.100 3.776 3.767 3.781 . 0 0 "[ . 1]" 2
269 1 22 ASP CA 1 23 ALA CA 3.300 . 5.600 3.802 3.792 3.814 . 0 0 "[ . 1]" 2
270 1 3 TYR CE1 1 23 ALA CA 3.300 . 5.100 5.313 5.183 5.389 0.289 6 0 "[ . 1]" 2
271 1 22 ASP CG 1 23 ALA CA 2.750 . 4.500 4.482 4.440 4.523 0.023 10 0 "[ . 1]" 2
272 1 23 ALA CA 1 25 THR CA 3.300 . 5.100 5.141 5.109 5.161 0.061 7 0 "[ . 1]" 2
273 1 25 THR C 1 26 ALA CA 2.750 . 3.250 2.424 2.419 2.433 . 0 0 "[ . 1]" 2
274 1 25 THR CA 1 26 ALA CA 3.300 . 5.100 3.803 3.799 3.810 . 0 0 "[ . 1]" 2
275 1 25 THR CB 1 26 ALA CA 3.300 . 5.100 4.362 4.348 4.382 . 0 0 "[ . 1]" 2
276 1 26 ALA CA 1 27 GLU CA 3.300 . 5.600 3.825 3.816 3.833 . 0 0 "[ . 1]" 2
277 1 26 ALA CA 1 29 VAL CA 3.300 . 5.600 4.925 4.858 5.013 . 0 0 "[ . 1]" 2
278 1 26 ALA CA 1 29 VAL CB 3.300 . 5.600 4.178 4.092 4.282 . 0 0 "[ . 1]" 2
279 1 27 GLU C 1 28 LYS CA 2.750 . 4.500 2.423 2.411 2.430 . 0 0 "[ . 1]" 2
280 1 27 GLU CD 1 28 LYS CE 3.300 . 5.100 5.125 5.101 5.146 0.046 6 0 "[ . 1]" 2
281 1 28 LYS C 1 28 LYS CE 3.300 . 5.600 5.674 5.661 5.682 0.082 8 0 "[ . 1]" 2
282 1 28 LYS C 1 29 VAL CA 3.300 . 5.100 2.423 2.419 2.430 . 0 0 "[ . 1]" 2
283 1 28 LYS C 1 29 VAL CB 3.300 . 5.100 3.693 3.689 3.698 . 0 0 "[ . 1]" 2
284 1 28 LYS C 1 30 PHE CA 3.300 . 5.100 4.605 4.588 4.622 . 0 0 "[ . 1]" 2
285 1 27 GLU CB 1 28 LYS CA 3.300 . 5.100 4.459 4.454 4.469 . 0 0 "[ . 1]" 2
286 1 28 LYS CA 1 29 VAL CA 3.300 . 5.100 3.794 3.783 3.803 . 0 0 "[ . 1]" 2
287 1 28 LYS CA 1 29 VAL CB 3.300 . 5.100 4.834 4.821 4.843 . 0 0 "[ . 1]" 2
288 1 27 GLU C 1 29 VAL CA 3.300 . 5.600 4.455 4.414 4.488 . 0 0 "[ . 1]" 2
289 1 29 VAL CA 1 30 PHE CA 3.300 . 5.100 3.807 3.797 3.813 . 0 0 "[ . 1]" 2
290 1 29 VAL CA 1 31 LYS CA 3.300 . 5.600 5.523 5.461 5.556 . 0 0 "[ . 1]" 2
291 1 29 VAL CB 1 30 PHE CA 3.300 . 5.100 4.447 4.433 4.458 . 0 0 "[ . 1]" 2
292 1 30 PHE CA 1 31 LYS C 3.300 . 5.600 4.342 4.327 4.364 . 0 0 "[ . 1]" 2
293 1 30 PHE CA 1 31 LYS CA 3.300 . 5.100 3.775 3.768 3.782 . 0 0 "[ . 1]" 2
294 1 29 VAL CA 1 30 PHE CG 3.300 . 5.600 5.201 5.139 5.229 . 0 0 "[ . 1]" 2
295 1 31 LYS C 1 32 GLN CA 3.300 . 5.100 2.411 2.402 2.420 . 0 0 "[ . 1]" 2
296 1 32 GLN C 1 33 TYR CA 2.125 . 3.250 2.420 2.412 2.430 . 0 0 "[ . 1]" 2
297 1 32 GLN C 1 33 TYR CG 3.300 . 5.100 4.864 4.850 4.882 . 0 0 "[ . 1]" 2
298 1 32 GLN CA 1 32 GLN CD 2.750 . 4.500 3.749 3.039 3.839 . 0 0 "[ . 1]" 2
299 1 33 TYR CA 1 33 TYR CE1 2.750 . 4.500 4.565 4.535 4.610 0.110 7 0 "[ . 1]" 2
300 1 33 TYR CG 1 34 ALA CA 3.300 . 5.600 4.231 4.178 4.294 . 0 0 "[ . 1]" 2
301 1 33 TYR CA 1 34 ALA CA 2.750 . 4.500 3.785 3.771 3.800 . 0 0 "[ . 1]" 2
302 1 34 ALA CA 1 39 VAL CB 3.300 . 5.600 3.848 3.741 3.949 . 0 0 "[ . 1]" 2
303 1 37 ASN C 1 38 GLY CA 2.750 . 4.500 2.441 2.426 2.452 . 0 0 "[ . 1]" 2
304 1 37 ASN CA 1 38 GLY CA 3.300 . 5.100 3.819 3.801 3.840 . 0 0 "[ . 1]" 2
305 1 38 GLY CA 1 39 VAL CA 3.300 . 5.100 3.825 3.805 3.840 . 0 0 "[ . 1]" 2
306 1 38 GLY CA 1 39 VAL CB 3.300 . 5.100 4.842 4.810 4.865 . 0 0 "[ . 1]" 2
307 1 39 VAL CA 1 40 ASP CA 3.300 . 5.100 3.815 3.801 3.839 . 0 0 "[ . 1]" 2
308 1 39 VAL CA 1 56 GLU CD 3.300 . 5.600 3.931 3.729 4.017 . 0 0 "[ . 1]" 2
309 1 39 VAL CB 1 40 ASP CA 3.300 . 5.600 4.651 4.633 4.682 . 0 0 "[ . 1]" 2
310 1 39 VAL CB 1 56 GLU CD 3.300 . 5.600 4.154 3.912 4.271 . 0 0 "[ . 1]" 2
311 1 40 ASP C 1 41 GLY CA 2.750 . 4.500 2.414 2.409 2.420 . 0 0 "[ . 1]" 2
312 1 40 ASP CA 1 41 GLY CA 3.300 . 5.100 3.808 3.803 3.817 . 0 0 "[ . 1]" 2
313 1 42 GLU C 1 43 TRP CA 2.750 . 4.500 2.436 2.429 2.447 . 0 0 "[ . 1]" 2
314 1 43 TRP CA 1 43 TRP CD1 3.300 . 5.100 3.244 3.221 3.269 . 0 0 "[ . 1]" 2
315 1 43 TRP CA 1 43 TRP CZ3 3.300 . 5.600 5.409 5.376 5.438 . 0 0 "[ . 1]" 2
316 1 43 TRP CA 1 44 THR CA 3.300 . 5.300 3.756 3.748 3.764 . 0 0 "[ . 1]" 2
317 1 42 GLU C 1 43 TRP CD1 3.300 . 5.100 3.502 3.412 3.603 . 0 0 "[ . 1]" 2
318 1 31 LYS CE 1 43 TRP CD2 3.300 . 5.100 4.306 4.027 4.608 . 0 0 "[ . 1]" 2
319 1 43 TRP CD2 1 54 VAL CB 2.750 . 4.500 3.531 3.468 3.573 . 0 0 "[ . 1]" 2
320 1 44 THR C 1 45 TYR CA 3.300 . 4.500 2.428 2.424 2.431 . 0 0 "[ . 1]" 2
321 1 44 THR C 1 45 TYR CG 3.300 . 5.600 4.648 4.635 4.659 . 0 0 "[ . 1]" 2
322 1 44 THR CA 1 45 TYR CA 3.300 . 5.100 3.817 3.811 3.823 . 0 0 "[ . 1]" 2
323 1 44 THR CB 1 45 TYR CA 3.300 . 5.600 4.474 4.463 4.486 . 0 0 "[ . 1]" 2
324 1 45 TYR CA 1 45 TYR CE1 3.300 . 5.100 4.362 4.353 4.379 . 0 0 "[ . 1]" 2
325 1 45 TYR CA 1 46 ASP CA 3.300 . 5.600 3.796 3.790 3.801 . 0 0 "[ . 1]" 2
326 1 46 ASP CA 1 47 ASP CB 3.300 . 5.100 4.827 4.813 4.838 . 0 0 "[ . 1]" 2
327 1 46 ASP CB 1 47 ASP C 3.300 . 5.100 5.077 5.055 5.112 0.012 9 0 "[ . 1]" 2
328 1 47 ASP C 1 48 ALA CA 2.750 . 4.500 2.409 2.397 2.418 . 0 0 "[ . 1]" 2
329 1 47 ASP CB 1 48 ALA CA 3.300 . 4.500 4.563 4.520 4.592 0.092 7 0 "[ . 1]" 2
330 1 47 ASP CG 1 48 ALA CA 2.750 . 4.500 4.413 4.193 4.744 0.244 3 0 "[ . 1]" 2
331 1 48 ALA CA 1 49 THR CA 3.300 . 5.100 3.817 3.813 3.824 . 0 0 "[ . 1]" 2
332 1 49 THR CA 1 50 LYS CA 3.300 . 5.100 3.807 3.802 3.816 . 0 0 "[ . 1]" 2
333 1 50 LYS CA 1 50 LYS CE 3.300 . 5.100 4.454 4.439 4.463 . 0 0 "[ . 1]" 2
334 1 50 LYS CA 1 51 THR CA 3.300 . 5.100 3.811 3.805 3.814 . 0 0 "[ . 1]" 2
335 1 51 THR C 1 52 PHE CA 2.750 . 4.500 2.440 2.437 2.443 . 0 0 "[ . 1]" 2
336 1 51 THR C 1 52 PHE CG 3.300 . 5.100 3.849 3.831 3.878 . 0 0 "[ . 1]" 2
337 1 51 THR CA 1 52 PHE CA 3.300 . 4.500 3.815 3.810 3.820 . 0 0 "[ . 1]" 2
338 1 51 THR CG2 1 52 PHE CA 3.300 . 5.600 4.398 4.381 4.454 . 0 0 "[ . 1]" 2
339 1 52 PHE CA 1 53 THR CB 3.300 . 5.600 4.630 4.614 4.641 . 0 0 "[ . 1]" 2
340 1 53 THR C 1 54 VAL CA 2.750 . 4.500 2.426 2.421 2.432 . 0 0 "[ . 1]" 2
341 1 53 THR C 1 54 VAL CB 3.300 . 5.100 3.356 3.344 3.371 . 0 0 "[ . 1]" 2
342 1 43 TRP CD2 1 54 VAL CA 3.300 . 5.600 4.225 4.188 4.250 . 0 0 "[ . 1]" 2
343 1 7 LEU CG 1 14 GLY CA 3.050 . 5.100 4.884 4.840 4.950 . 0 0 "[ . 1]" 2
344 1 9 GLY CA 1 55 THR C 3.650 . 6.300 5.166 5.051 5.255 . 0 0 "[ . 1]" 2
345 1 10 LYS CG 1 11 THR C 3.650 . 6.300 5.589 5.555 5.632 . 0 0 "[ . 1]" 2
346 1 11 THR C 1 12 LEU CG 3.650 . 6.300 4.652 4.611 4.697 . 0 0 "[ . 1]" 2
347 1 12 LEU C 1 13 LYS CG 3.050 . 5.100 3.878 3.630 4.399 . 0 0 "[ . 1]" 2
348 1 6 ILE CA 1 14 GLY CA 3.650 . 6.300 6.355 6.275 6.498 0.198 6 0 "[ . 1]" 2
349 1 15 GLU CB 1 16 THR CA 3.650 . 6.300 4.454 4.435 4.467 . 0 0 "[ . 1]" 2
350 1 16 THR CB 1 17 THR CA 3.050 . 5.100 4.639 4.609 4.661 . 0 0 "[ . 1]" 2
351 1 20 ALA CA 1 21 VAL CB 3.050 . 5.100 4.821 4.808 4.832 . 0 0 "[ . 1]" 2
352 1 28 LYS CA 1 28 LYS CE 3.050 . 5.100 4.533 4.518 4.549 . 0 0 "[ . 1]" 2
353 1 30 PHE CG 1 31 LYS CG 3.650 . 6.300 6.410 6.349 6.474 0.174 6 0 "[ . 1]" 2
354 1 30 PHE CG 1 31 LYS CA 3.650 . 6.100 5.874 5.848 5.887 . 0 0 "[ . 1]" 2
355 1 31 LYS CA 1 31 LYS CE 3.650 . 6.100 4.995 4.942 5.032 . 0 0 "[ . 1]" 2
356 1 35 ASN CA 1 38 GLY CA 3.650 . 6.300 4.893 4.721 5.033 . 0 0 "[ . 1]" 2
357 1 41 GLY CA 1 42 GLU CA 3.050 . 5.100 3.784 3.776 3.790 . 0 0 "[ . 1]" 2
358 1 42 GLU C 1 43 TRP CD2 3.650 . 6.300 4.617 4.517 4.669 . 0 0 "[ . 1]" 2
359 1 45 TYR CG 1 52 PHE CG 3.650 . 6.300 4.273 4.214 4.311 . 0 0 "[ . 1]" 2
360 1 2 GLN C 1 50 LYS CG 3.050 . 5.100 5.187 5.119 5.321 0.221 1 0 "[ . 1]" 2
361 1 49 THR C 1 50 LYS CG 3.050 . 5.100 3.379 3.277 3.413 . 0 0 "[ . 1]" 2
362 1 10 LYS CA 1 56 GLU CD 3.650 . 6.300 5.099 5.004 5.207 . 0 0 "[ . 1]" 2
363 1 40 ASP CA 1 56 GLU CD 3.650 . 6.300 4.525 4.439 4.621 . 0 0 "[ . 1]" 2
364 1 1 MET C 1 3 TYR CG 4.250 . 7.500 4.986 4.910 5.320 . 0 0 "[ . 1]" 2
365 1 1 MET CA 1 20 ALA CA 3.550 . 6.100 5.439 5.142 5.938 . 0 0 "[ . 1]" 2
366 1 1 MET CG 1 3 TYR CE1 4.250 . 7.500 4.832 4.484 5.138 . 0 0 "[ . 1]" 2
367 1 1 MET CG 1 3 TYR CG 4.250 . 7.500 6.136 5.891 6.186 . 0 0 "[ . 1]" 2
368 1 3 TYR CG 1 4 LYS CA 3.550 . 6.100 5.859 5.840 5.873 . 0 0 "[ . 1]" 2
369 1 5 LEU CG 1 30 PHE CG 3.550 . 6.100 3.802 3.607 4.019 . 0 0 "[ . 1]" 2
370 1 7 LEU CG 1 8 ASN CA 3.550 . 6.100 5.961 5.750 6.001 . 0 0 "[ . 1]" 2
371 1 8 ASN CA 1 12 LEU CG 4.250 . 7.650 7.744 7.614 7.804 0.154 9 0 "[ . 1]" 2
372 1 9 GLY CA 1 12 LEU CG 4.250 . 6.100 5.963 5.860 6.116 0.016 3 0 "[ . 1]" 2
373 1 13 LYS CB 1 14 GLY CA 3.550 . 6.100 4.486 4.449 4.550 . 0 0 "[ . 1]" 2
374 1 16 THR C 1 17 THR CA 3.550 . 6.100 2.456 2.453 2.460 . 0 0 "[ . 1]" 2
375 1 3 TYR CE1 1 18 THR CA 4.250 . 6.400 6.672 6.310 6.744 0.344 6 0 "[ . 1]" 2
376 1 3 TYR CE1 1 22 ASP C 4.250 . 6.100 4.300 4.266 4.343 . 0 0 "[ . 1]" 2
377 1 21 VAL CB 1 22 ASP CA 3.550 . 6.100 4.424 4.408 4.447 . 0 0 "[ . 1]" 2
378 1 23 ALA CA 1 45 TYR CE1 4.250 . 6.650 5.330 5.141 5.567 . 0 0 "[ . 1]" 2
379 1 3 TYR CG 1 26 ALA CA 3.550 . 6.100 5.010 4.899 5.331 . 0 0 "[ . 1]" 2
380 1 26 ALA CA 1 30 PHE CG 4.250 . 6.100 5.187 5.077 5.304 . 0 0 "[ . 1]" 2
381 1 29 VAL CB 1 30 PHE CG 4.250 . 7.500 5.180 5.129 5.219 . 0 0 "[ . 1]" 2
382 1 30 PHE CA 1 31 LYS CE 4.250 . 7.500 6.951 6.728 7.088 . 0 0 "[ . 1]" 2
383 1 30 PHE CA 1 31 LYS CG 4.250 . 7.500 5.052 4.993 5.096 . 0 0 "[ . 1]" 2
384 1 31 LYS CA 1 43 TRP CD2 3.550 . 6.100 5.286 5.063 5.427 . 0 0 "[ . 1]" 2
385 1 31 LYS CA 1 43 TRP CZ3 4.250 . 6.100 4.529 4.326 4.665 . 0 0 "[ . 1]" 2
386 1 31 LYS CE 1 43 TRP CZ3 4.250 . 7.500 5.042 4.619 5.597 . 0 0 "[ . 1]" 2
387 1 31 LYS CG 1 43 TRP CD2 4.250 . 7.500 4.075 3.778 4.340 . 0 0 "[ . 1]" 2
388 1 31 LYS CG 1 43 TRP CZ3 3.550 . 6.100 4.081 3.757 4.425 . 0 0 "[ . 1]" 2
389 1 32 GLN C 1 33 TYR CE1 3.550 . 6.100 6.706 6.577 6.972 0.872 2 9 [*+**-****1] 2
390 1 36 ASP C 1 38 GLY CA 3.550 . 6.100 4.730 4.587 4.908 . 0 0 "[ . 1]" 2
391 1 36 ASP CA 1 38 GLY CA 4.250 . 6.400 5.574 5.439 5.725 . 0 0 "[ . 1]" 2
392 1 35 ASN CG 1 38 GLY CA 4.250 . 7.500 6.398 6.133 6.798 . 0 0 "[ . 1]" 2
393 1 37 ASN CG 1 38 GLY CA 4.250 . 7.500 6.203 6.187 6.215 . 0 0 "[ . 1]" 2
394 1 39 VAL CB 1 41 GLY CA 4.250 . 6.400 6.642 6.579 6.686 0.286 6 0 "[ . 1]" 2
395 1 40 ASP CG 1 41 GLY CA 4.250 . 6.100 4.860 4.775 4.924 . 0 0 "[ . 1]" 2
396 1 41 GLY CA 1 56 GLU CA 3.550 . 6.100 3.735 3.690 3.769 . 0 0 "[ . 1]" 2
397 1 42 GLU C 1 43 TRP CZ3 4.250 . 6.650 6.670 6.566 6.723 0.073 8 0 "[ . 1]" 2
398 1 42 GLU CA 1 43 TRP CA 3.550 . 6.100 3.790 3.776 3.798 . 0 0 "[ . 1]" 2
399 1 42 GLU CB 1 43 TRP CA 3.150 . 5.300 4.621 4.607 4.633 . 0 0 "[ . 1]" 2
400 1 43 TRP CZ3 1 54 VAL CA 3.550 . 6.100 4.673 4.577 4.744 . 0 0 "[ . 1]" 2
401 1 43 TRP CZ3 1 54 VAL CB 4.250 . 6.400 3.789 3.667 3.909 . 0 0 "[ . 1]" 2
402 1 44 THR C 1 46 ASP CA 3.550 . 6.100 5.862 5.854 5.881 . 0 0 "[ . 1]" 2
403 1 44 THR CB 1 52 PHE CE1 4.250 . 7.500 9.408 9.353 9.446 1.946 1 10 [+******-**] 2
404 1 45 TYR CA 1 52 PHE CA 4.250 . 7.500 4.548 4.512 4.588 . 0 0 "[ . 1]" 2
405 1 45 TYR CA 1 52 PHE CG 4.250 . 6.100 4.734 4.704 4.778 . 0 0 "[ . 1]" 2
406 1 45 TYR CG 1 46 ASP CA 4.250 . 7.500 4.117 4.098 4.133 . 0 0 "[ . 1]" 2
407 1 45 TYR CG 1 47 ASP CA 3.550 . 6.100 5.129 5.089 5.175 . 0 0 "[ . 1]" 2
408 1 45 TYR CE1 1 47 ASP CG 4.250 . 6.650 6.335 6.006 6.593 . 0 0 "[ . 1]" 2
409 1 51 THR CA 1 52 PHE CG 4.250 . 7.500 4.945 4.921 4.985 . 0 0 "[ . 1]" 2
410 1 51 THR CB 1 52 PHE CA 3.550 . 6.100 4.660 4.647 4.689 . 0 0 "[ . 1]" 2
411 1 51 THR CG2 1 52 PHE CG 4.250 . 7.500 6.380 6.354 6.438 . 0 0 "[ . 1]" 2
412 1 45 TYR CG 1 52 PHE CA 4.250 . 6.650 5.214 5.167 5.250 . 0 0 "[ . 1]" 2
413 1 51 THR C 1 52 PHE CE1 4.250 . 7.500 4.780 4.748 4.830 . 0 0 "[ . 1]" 2
414 1 52 PHE CG 1 53 THR CA 4.250 . 7.500 5.826 5.812 5.850 . 0 0 "[ . 1]" 2
415 1 9 GLY CA 1 56 GLU CB 3.550 . 6.100 4.264 4.103 4.449 . 0 0 "[ . 1]" 2
416 1 41 GLY CA 1 56 GLU CB 3.550 . 6.100 4.295 4.261 4.322 . 0 0 "[ . 1]" 2
417 1 1 MET CA 1 21 VAL CA 3.700 . 6.400 5.826 5.562 6.200 . 0 0 "[ . 1]" 2
418 1 2 GLN CD 1 3 TYR CA 4.450 . 7.900 5.413 4.702 6.158 . 0 0 "[ . 1]" 2
419 1 3 TYR CG 1 20 ALA CA 4.450 . 7.900 5.554 5.452 6.133 . 0 0 "[ . 1]" 2
420 1 3 TYR CG 1 22 ASP CA 3.700 . 6.400 6.412 6.376 6.460 0.060 5 0 "[ . 1]" 2
421 1 3 TYR CG 1 50 LYS CA 4.450 . 6.650 5.261 5.078 5.354 . 0 0 "[ . 1]" 2
422 1 5 LEU C 1 30 PHE CG 4.450 . 7.900 6.399 6.323 6.552 . 0 0 "[ . 1]" 2
423 1 5 LEU CB 1 30 PHE CG 3.700 . 6.400 4.067 3.941 4.296 . 0 0 "[ . 1]" 2
424 1 8 ASN CA 1 55 THR CA 4.450 . 6.400 4.544 4.392 4.730 . 0 0 "[ . 1]" 2
425 1 9 GLY CA 1 10 LYS CG 3.700 . 6.400 5.016 4.967 5.068 . 0 0 "[ . 1]" 2
426 1 18 THR CG2 1 30 PHE CG 4.450 . 7.900 4.793 4.640 4.937 . 0 0 "[ . 1]" 2
427 1 18 THR CB 1 20 ALA CA 4.450 . 7.900 6.417 6.361 6.471 . 0 0 "[ . 1]" 2
428 1 21 VAL CA 1 22 ASP CG 4.450 . 6.650 4.770 4.720 4.812 . 0 0 "[ . 1]" 2
429 1 26 ALA CA 1 52 PHE CE1 4.450 . 7.900 4.920 4.762 5.242 . 0 0 "[ . 1]" 2
430 1 28 LYS CG 1 29 VAL CA 4.450 . 7.900 6.014 5.995 6.027 . 0 0 "[ . 1]" 2
431 1 29 VAL CA 1 32 GLN CB 4.450 . 7.900 4.361 4.281 4.480 . 0 0 "[ . 1]" 2
432 1 31 LYS C 1 33 TYR CG 4.450 . 6.400 6.050 5.965 6.142 . 0 0 "[ . 1]" 2
433 1 31 LYS CE 1 43 TRP CD1 4.450 . 6.400 4.961 4.716 5.237 . 0 0 "[ . 1]" 2
434 1 31 LYS CE 1 43 TRP CG 3.700 . 6.400 4.351 4.125 4.586 . 0 0 "[ . 1]" 2
435 1 5 LEU CB 1 33 TYR CG 3.700 . 6.400 6.521 6.343 6.633 0.233 7 0 "[ . 1]" 2
436 1 32 GLN CB 1 33 TYR CG 4.450 . 7.900 6.640 6.604 6.665 . 0 0 "[ . 1]" 2
437 1 35 ASN C 1 39 VAL CA 3.700 . 6.400 5.845 5.503 6.154 . 0 0 "[ . 1]" 2
438 1 33 TYR CG 1 36 ASP C 4.450 . 6.650 6.682 6.464 6.921 0.271 1 0 "[ . 1]" 2
439 1 36 ASP CA 1 37 ASN CG 4.450 . 7.900 4.922 4.839 4.993 . 0 0 "[ . 1]" 2
440 1 41 GLY CA 1 43 TRP CA 3.700 . 6.400 6.500 6.435 6.542 0.142 10 0 "[ . 1]" 2
441 1 42 GLU CA 1 42 GLU CD 3.250 . 5.500 3.753 2.980 3.848 . 0 0 "[ . 1]" 2
442 1 42 GLU CB 1 43 TRP CD1 4.450 . 7.900 5.649 5.518 5.761 . 0 0 "[ . 1]" 2
443 1 42 GLU CB 1 43 TRP CD2 4.450 . 7.900 7.068 6.955 7.127 . 0 0 "[ . 1]" 2
444 1 43 TRP CD1 1 54 VAL CA 4.450 . 7.900 4.902 4.815 5.009 . 0 0 "[ . 1]" 2
445 1 43 TRP CD1 1 54 VAL CB 4.450 . 7.900 4.367 4.312 4.427 . 0 0 "[ . 1]" 2
446 1 31 LYS CB 1 43 TRP CD2 3.700 . 6.400 5.214 4.926 5.438 . 0 0 "[ . 1]" 2
447 1 43 TRP CD2 1 53 THR C 4.450 . 7.900 4.582 4.548 4.625 . 0 0 "[ . 1]" 2
448 1 43 TRP CG 1 54 VAL CA 4.450 . 6.650 4.621 4.570 4.669 . 0 0 "[ . 1]" 2
449 1 43 TRP CG 1 54 VAL CB 3.700 . 6.400 4.246 4.215 4.277 . 0 0 "[ . 1]" 2
450 1 43 TRP CZ3 1 52 PHE CA 4.450 . 7.900 5.602 5.511 5.779 . 0 0 "[ . 1]" 2
451 1 45 TYR CE1 1 47 ASP CA 4.450 . 7.900 4.341 4.293 4.403 . 0 0 "[ . 1]" 2
452 1 45 TYR CE1 1 46 ASP CB 4.450 . 6.650 5.457 5.400 5.489 . 0 0 "[ . 1]" 2
453 1 45 TYR CG 1 46 ASP CB 4.450 . 7.900 5.424 5.401 5.439 . 0 0 "[ . 1]" 2
454 1 48 ALA CA 1 49 THR CB 4.450 . 6.400 4.734 4.727 4.740 . 0 0 "[ . 1]" 2
455 1 51 THR CB 1 52 PHE CG 4.450 . 7.900 6.251 6.230 6.285 . 0 0 "[ . 1]" 2
456 1 52 PHE CA 1 53 THR CA 3.700 . 6.400 3.787 3.778 3.796 . 0 0 "[ . 1]" 2
457 1 4 LYS CA 1 52 PHE CG 4.450 . 7.900 6.416 6.337 6.483 . 0 0 "[ . 1]" 2
458 1 26 ALA CA 1 52 PHE CG 4.450 . 7.900 6.411 6.195 6.641 . 0 0 "[ . 1]" 2
459 1 54 VAL CA 1 55 THR CA 3.700 . 6.400 3.780 3.774 3.786 . 0 0 "[ . 1]" 2
460 1 54 VAL CA 1 56 GLU CA 4.450 . 6.650 6.825 6.808 6.840 0.190 2 0 "[ . 1]" 2
stop_
save_
save_distance_constraint_statistics_3
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 3
_Distance_constraint_stats_list.Constraint_count 433
_Distance_constraint_stats_list.Viol_count 189
_Distance_constraint_stats_list.Viol_total 345.697
_Distance_constraint_stats_list.Viol_max 0.439
_Distance_constraint_stats_list.Viol_rms 0.0446
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0080
_Distance_constraint_stats_list.Viol_average_violations_only 0.1829
_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 1 MET 0.047 0.047 5 0 "[ . 1]"
1 2 GLN 0.607 0.139 5 0 "[ . 1]"
1 3 TYR 0.000 0.000 . 0 "[ . 1]"
1 4 LYS 0.490 0.091 8 0 "[ . 1]"
1 5 LEU 0.000 0.000 . 0 "[ . 1]"
1 6 ILE 2.304 0.276 6 0 "[ . 1]"
1 7 LEU 1.323 0.194 2 0 "[ . 1]"
1 8 ASN 0.165 0.052 8 0 "[ . 1]"
1 9 GLY 0.000 0.000 . 0 "[ . 1]"
1 10 LYS 1.721 0.170 7 0 "[ . 1]"
1 11 THR 0.000 0.000 . 0 "[ . 1]"
1 12 LEU 0.783 0.113 3 0 "[ . 1]"
1 13 LYS 0.000 0.000 . 0 "[ . 1]"
1 14 GLY 0.210 0.105 6 0 "[ . 1]"
1 15 GLU 0.000 0.000 . 0 "[ . 1]"
1 16 THR 0.000 0.000 . 0 "[ . 1]"
1 17 THR 0.000 0.000 . 0 "[ . 1]"
1 18 THR 0.000 0.000 . 0 "[ . 1]"
1 19 GLU 3.994 0.431 6 0 "[ . 1]"
1 20 ALA 0.000 0.000 . 0 "[ . 1]"
1 21 VAL 2.132 0.230 9 0 "[ . 1]"
1 22 ASP 6.398 0.431 6 0 "[ . 1]"
1 23 ALA 4.329 0.255 10 0 "[ . 1]"
1 24 ALA 0.000 0.000 . 0 "[ . 1]"
1 25 THR 1.749 0.247 5 0 "[ . 1]"
1 26 ALA 0.000 0.000 . 0 "[ . 1]"
1 27 GLU 3.733 0.255 10 0 "[ . 1]"
1 28 LYS 1.536 0.189 10 0 "[ . 1]"
1 29 VAL 0.000 0.000 . 0 "[ . 1]"
1 30 PHE 0.000 0.000 . 0 "[ . 1]"
1 31 LYS 1.746 0.270 2 0 "[ . 1]"
1 32 GLN 0.000 0.000 . 0 "[ . 1]"
1 33 TYR 0.000 0.000 . 0 "[ . 1]"
1 34 ALA 1.822 0.310 9 0 "[ . 1]"
1 35 ASN 1.764 0.270 2 0 "[ . 1]"
1 36 ASP 0.000 0.000 . 0 "[ . 1]"
1 37 ASN 1.114 0.208 10 0 "[ . 1]"
1 38 GLY 0.000 0.000 . 0 "[ . 1]"
1 39 VAL 2.954 0.310 9 0 "[ . 1]"
1 40 ASP 6.723 0.392 4 0 "[ . 1]"
1 41 GLY 0.000 0.000 . 0 "[ . 1]"
1 42 GLU 1.192 0.194 4 0 "[ . 1]"
1 43 TRP 7.081 0.439 10 0 "[ . 1]"
1 44 THR 0.000 0.000 . 0 "[ . 1]"
1 45 TYR 0.000 0.000 . 0 "[ . 1]"
1 46 ASP 0.000 0.000 . 0 "[ . 1]"
1 47 ASP 0.000 0.000 . 0 "[ . 1]"
1 48 ALA 0.035 0.021 8 0 "[ . 1]"
1 49 THR 0.035 0.021 8 0 "[ . 1]"
1 50 LYS 0.000 0.000 . 0 "[ . 1]"
1 51 THR 0.000 0.000 . 0 "[ . 1]"
1 52 PHE 2.794 0.276 6 0 "[ . 1]"
1 53 THR 0.000 0.000 . 0 "[ . 1]"
1 54 VAL 1.357 0.194 4 0 "[ . 1]"
1 55 THR 1.114 0.194 2 0 "[ . 1]"
1 56 GLU 7.889 0.439 10 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 TYR HA 1 4 LYS H 3.100 . 6.000 2.365 2.353 2.379 . 0 0 "[ . 1]" 3
2 1 4 LYS H 1 4 LYS QB 3.100 . 4.800 2.593 2.478 2.641 . 0 0 "[ . 1]" 3
3 1 4 LYS QB 1 5 LEU H 3.100 . 6.500 3.519 3.425 3.609 . 0 0 "[ . 1]" 3
4 1 5 LEU H 1 5 LEU HA 2.600 . 4.800 2.961 2.950 2.971 . 0 0 "[ . 1]" 3
5 1 6 ILE H 1 6 ILE HA 2.600 . 4.800 2.986 2.975 3.006 . 0 0 "[ . 1]" 3
6 1 6 ILE H 1 6 ILE HB 3.100 . 6.000 2.573 2.413 2.651 . 0 0 "[ . 1]" 3
7 1 6 ILE HA 1 7 LEU H 3.100 . 4.800 2.148 2.105 2.212 . 0 0 "[ . 1]" 3
8 1 7 LEU CD1 1 7 LEU H 3.100 . 5.800 3.584 2.386 3.966 . 0 0 "[ . 1]" 3
9 1 7 LEU CD2 1 7 LEU H 3.100 . 5.800 3.977 2.546 4.385 . 0 0 "[ . 1]" 3
10 1 8 ASN HA 1 9 GLY H 3.100 . 6.000 2.570 2.511 2.623 . 0 0 "[ . 1]" 3
11 1 9 GLY H 1 9 GLY QA 2.600 . 4.800 2.273 2.236 2.291 . 0 0 "[ . 1]" 3
12 1 9 GLY H 1 13 LYS CG 3.600 . 6.500 3.423 2.982 4.832 . 0 0 "[ . 1]" 3
13 1 10 LYS H 1 10 LYS HA 2.600 . 4.800 2.876 2.868 2.882 . 0 0 "[ . 1]" 3
14 1 10 LYS H 1 10 LYS QB 2.600 . 4.800 2.653 2.631 2.683 . 0 0 "[ . 1]" 3
15 1 10 LYS CD 1 10 LYS H 3.100 . 5.800 3.815 3.784 3.838 . 0 0 "[ . 1]" 3
16 1 10 LYS H 1 56 GLU QB 2.600 . 4.800 2.103 1.942 2.268 . 0 0 "[ . 1]" 3
17 1 9 GLY QA 1 11 THR H 2.600 . 4.800 3.155 3.065 3.247 . 0 0 "[ . 1]" 3
18 1 10 LYS QB 1 11 THR H 3.100 . 6.000 3.558 3.542 3.569 . 0 0 "[ . 1]" 3
19 1 11 THR H 1 11 THR HA 2.600 . 4.800 2.968 2.967 2.971 . 0 0 "[ . 1]" 3
20 1 9 GLY QA 1 12 LEU H 3.100 . 6.500 2.551 2.397 2.747 . 0 0 "[ . 1]" 3
21 1 12 LEU H 1 12 LEU QB 2.600 . 3.800 2.524 2.508 2.562 . 0 0 "[ . 1]" 3
22 1 12 LEU HA 1 13 LYS H 2.100 . 3.000 2.126 2.103 2.163 . 0 0 "[ . 1]" 3
23 1 13 LYS H 1 13 LYS HA 2.600 . 4.800 2.953 2.942 2.960 . 0 0 "[ . 1]" 3
24 1 7 LEU QB 1 14 GLY H 2.600 . 4.800 2.546 2.091 4.340 . 0 0 "[ . 1]" 3
25 1 13 LYS HA 1 14 GLY H 2.600 . 4.800 2.283 2.241 2.332 . 0 0 "[ . 1]" 3
26 1 13 LYS QB 1 14 GLY H 3.100 . 6.000 2.871 2.569 3.367 . 0 0 "[ . 1]" 3
27 1 14 GLY QA 1 15 GLU H 2.600 . 4.800 2.169 2.159 2.190 . 0 0 "[ . 1]" 3
28 1 15 GLU H 1 15 GLU QB 2.600 . 4.800 2.790 2.697 3.197 . 0 0 "[ . 1]" 3
29 1 15 GLU QB 1 16 THR H 2.600 . 4.800 2.572 2.512 2.695 . 0 0 "[ . 1]" 3
30 1 17 THR H 1 18 THR HB 3.100 . 6.000 4.831 4.766 4.869 . 0 0 "[ . 1]" 3
31 1 18 THR HB 1 19 GLU H 3.100 . 6.000 4.143 4.114 4.162 . 0 0 "[ . 1]" 3
32 1 19 GLU H 1 19 GLU HA 2.100 . 3.000 2.948 2.944 2.953 . 0 0 "[ . 1]" 3
33 1 19 GLU H 1 19 GLU QB 2.600 . 4.800 2.415 2.402 2.430 . 0 0 "[ . 1]" 3
34 1 20 ALA H 1 20 ALA HA 2.600 . 4.800 2.941 2.937 2.946 . 0 0 "[ . 1]" 3
35 1 20 ALA HA 1 21 VAL H 2.600 . 4.800 2.373 2.353 2.426 . 0 0 "[ . 1]" 3
36 1 20 ALA MB 1 21 VAL H 3.100 . 6.500 2.550 2.493 2.601 . 0 0 "[ . 1]" 3
37 1 21 VAL H 1 21 VAL HA 2.600 . 4.800 2.854 2.850 2.857 . 0 0 "[ . 1]" 3
38 1 22 ASP H 1 22 ASP HA 2.600 . 4.800 2.915 2.909 2.921 . 0 0 "[ . 1]" 3
39 1 22 ASP HA 1 23 ALA H 2.600 . 4.800 2.620 2.596 2.641 . 0 0 "[ . 1]" 3
40 1 23 ALA H 1 23 ALA HA 2.100 . 3.000 2.854 2.847 2.859 . 0 0 "[ . 1]" 3
41 1 23 ALA H 1 23 ALA MB 3.100 . 6.000 2.199 2.179 2.230 . 0 0 "[ . 1]" 3
42 1 23 ALA MB 1 24 ALA H 2.600 . 4.800 2.640 2.560 2.691 . 0 0 "[ . 1]" 3
43 1 24 ALA H 1 24 ALA HA 2.100 . 3.000 2.781 2.772 2.795 . 0 0 "[ . 1]" 3
44 1 25 THR H 1 25 THR HA 2.600 . 4.800 2.914 2.899 2.929 . 0 0 "[ . 1]" 3
45 1 25 THR H 1 25 THR HB 2.600 . 4.800 3.079 2.567 3.588 . 0 0 "[ . 1]" 3
46 1 26 ALA H 1 26 ALA HA 2.100 . 3.000 2.786 2.773 2.796 . 0 0 "[ . 1]" 3
47 1 26 ALA H 1 26 ALA MB 3.100 . 4.800 2.159 2.148 2.178 . 0 0 "[ . 1]" 3
48 1 26 ALA HA 1 27 GLU H 2.600 . 4.800 3.546 3.535 3.558 . 0 0 "[ . 1]" 3
49 1 26 ALA MB 1 27 GLU H 3.100 . 6.500 2.660 2.621 2.693 . 0 0 "[ . 1]" 3
50 1 27 GLU H 1 27 GLU HA 2.600 . 3.800 2.813 2.806 2.822 . 0 0 "[ . 1]" 3
51 1 27 GLU H 1 27 GLU QB 2.600 . 4.800 2.280 2.263 2.314 . 0 0 "[ . 1]" 3
52 1 27 GLU CG 1 27 GLU H 3.200 . 5.800 3.184 3.152 3.266 . 0 0 "[ . 1]" 3
53 1 27 GLU HA 1 28 LYS H 2.600 . 4.800 3.539 3.530 3.547 . 0 0 "[ . 1]" 3
54 1 28 LYS H 1 28 LYS HA 2.100 . 3.000 2.856 2.847 2.865 . 0 0 "[ . 1]" 3
55 1 28 LYS H 1 28 LYS QB 2.600 . 4.800 2.281 2.235 2.319 . 0 0 "[ . 1]" 3
56 1 29 VAL H 1 29 VAL HA 2.600 . 4.800 2.847 2.843 2.851 . 0 0 "[ . 1]" 3
57 1 29 VAL H 1 29 VAL HB 2.600 . 4.800 2.412 2.393 2.426 . 0 0 "[ . 1]" 3
58 1 29 VAL CG1 1 29 VAL H 3.600 . 7.000 4.030 4.020 4.037 . 0 0 "[ . 1]" 3
59 1 29 VAL HA 1 30 PHE H 2.600 . 4.800 3.569 3.550 3.577 . 0 0 "[ . 1]" 3
60 1 29 VAL CG2 1 30 PHE H 3.100 . 5.800 4.349 4.324 4.374 . 0 0 "[ . 1]" 3
61 1 30 PHE H 1 30 PHE QB 2.600 . 4.800 2.368 2.303 2.418 . 0 0 "[ . 1]" 3
62 1 31 LYS H 1 31 LYS HA 2.600 . 3.000 2.828 2.820 2.837 . 0 0 "[ . 1]" 3
63 1 31 LYS H 1 31 LYS QB 2.600 . 4.800 2.361 2.321 2.440 . 0 0 "[ . 1]" 3
64 1 31 LYS CE 1 32 GLN H 3.600 . 7.500 6.648 6.540 6.767 . 0 0 "[ . 1]" 3
65 1 33 TYR H 1 33 TYR QB 2.600 . 4.800 2.059 2.034 2.092 . 0 0 "[ . 1]" 3
66 1 34 ALA H 1 34 ALA HA 2.100 . 3.000 2.820 2.806 2.844 . 0 0 "[ . 1]" 3
67 1 35 ASN H 1 35 ASN HA 2.600 . 4.800 2.836 2.819 2.855 . 0 0 "[ . 1]" 3
68 1 35 ASN H 1 35 ASN QB 2.600 . 4.800 2.276 2.250 2.327 . 0 0 "[ . 1]" 3
69 1 35 ASN HA 1 36 ASP H 2.600 . 4.800 3.533 3.477 3.588 . 0 0 "[ . 1]" 3
70 1 35 ASN QB 1 36 ASP H 3.100 . 6.500 2.524 2.438 2.614 . 0 0 "[ . 1]" 3
71 1 36 ASP H 1 36 ASP HA 2.100 . 3.000 2.835 2.804 2.850 . 0 0 "[ . 1]" 3
72 1 36 ASP H 1 36 ASP QB 2.100 . 3.000 2.376 2.332 2.502 . 0 0 "[ . 1]" 3
73 1 36 ASP QB 1 37 ASN H 3.100 . 4.800 3.098 2.873 3.607 . 0 0 "[ . 1]" 3
74 1 37 ASN H 1 37 ASN HA 2.600 . 4.800 2.977 2.968 2.987 . 0 0 "[ . 1]" 3
75 1 37 ASN H 1 37 ASN QB 2.600 . 4.800 2.422 2.343 2.509 . 0 0 "[ . 1]" 3
76 1 37 ASN H 1 38 GLY QA 2.600 . 4.800 4.289 4.143 4.413 . 0 0 "[ . 1]" 3
77 1 37 ASN HA 1 38 GLY H 2.600 . 4.800 3.210 3.151 3.296 . 0 0 "[ . 1]" 3
78 1 38 GLY H 1 38 GLY QA 2.600 . 4.800 2.211 2.153 2.259 . 0 0 "[ . 1]" 3
79 1 38 GLY QA 1 39 VAL H 3.100 . 6.000 2.925 2.891 2.970 . 0 0 "[ . 1]" 3
80 1 39 VAL H 1 39 VAL HA 2.600 . 4.800 2.940 2.919 2.959 . 0 0 "[ . 1]" 3
81 1 39 VAL H 1 39 VAL HB 2.600 . 4.800 2.605 2.491 2.687 . 0 0 "[ . 1]" 3
82 1 39 VAL CG1 1 40 ASP H 3.100 . 7.000 3.228 3.184 3.263 . 0 0 "[ . 1]" 3
83 1 40 ASP H 1 40 ASP HA 2.600 . 4.800 2.947 2.935 2.960 . 0 0 "[ . 1]" 3
84 1 40 ASP H 1 40 ASP QB 2.600 . 4.800 2.618 2.590 2.666 . 0 0 "[ . 1]" 3
85 1 40 ASP HA 1 41 GLY H 3.100 . 6.000 2.242 2.195 2.280 . 0 0 "[ . 1]" 3
86 1 40 ASP QB 1 41 GLY H 2.600 . 4.800 3.958 3.939 3.985 . 0 0 "[ . 1]" 3
87 1 41 GLY H 1 41 GLY QA 2.600 . 4.800 2.470 2.454 2.481 . 0 0 "[ . 1]" 3
88 1 41 GLY QA 1 42 GLU H 2.600 . 4.800 2.179 2.162 2.217 . 0 0 "[ . 1]" 3
89 1 42 GLU H 1 42 GLU HA 2.600 . 4.800 2.955 2.948 2.962 . 0 0 "[ . 1]" 3
90 1 42 GLU QB 1 43 TRP H 3.100 . 4.800 2.987 2.942 3.013 . 0 0 "[ . 1]" 3
91 1 43 TRP H 1 43 TRP QB 2.600 . 4.800 2.405 2.332 2.443 . 0 0 "[ . 1]" 3
92 1 43 TRP H 1 44 THR HA 4.100 . 8.100 5.205 5.170 5.233 . 0 0 "[ . 1]" 3
93 1 43 TRP HA 1 44 THR H 2.600 . 4.800 2.091 2.062 2.121 . 0 0 "[ . 1]" 3
94 1 44 THR H 1 52 PHE HA 3.100 . 6.000 4.596 4.511 4.640 . 0 0 "[ . 1]" 3
95 1 44 THR HA 1 45 TYR H 2.600 . 4.800 2.391 2.370 2.419 . 0 0 "[ . 1]" 3
96 1 45 TYR HA 1 46 ASP H 3.100 . 6.500 2.142 2.131 2.157 . 0 0 "[ . 1]" 3
97 1 46 ASP H 1 52 PHE HA 3.100 . 6.500 3.556 3.462 3.609 . 0 0 "[ . 1]" 3
98 1 47 ASP H 1 47 ASP QB 2.100 . 3.000 2.370 2.211 2.487 . 0 0 "[ . 1]" 3
99 1 48 ALA H 1 48 ALA MB 2.600 . 4.800 2.271 2.247 2.289 . 0 0 "[ . 1]" 3
100 1 48 ALA MB 1 49 THR H 3.100 . 6.500 2.854 2.816 2.880 . 0 0 "[ . 1]" 3
101 1 50 LYS H 1 50 LYS HA 2.100 . 3.000 2.298 2.291 2.304 . 0 0 "[ . 1]" 3
102 1 50 LYS H 1 50 LYS QB 3.100 . 6.500 3.380 3.365 3.410 . 0 0 "[ . 1]" 3
103 1 50 LYS HA 1 51 THR H 3.100 . 6.000 2.772 2.759 2.780 . 0 0 "[ . 1]" 3
104 1 51 THR H 1 51 THR HA 2.600 . 4.800 2.974 2.972 2.978 . 0 0 "[ . 1]" 3
105 1 51 THR H 1 51 THR HB 2.600 . 4.800 2.674 2.655 2.692 . 0 0 "[ . 1]" 3
106 1 51 THR HA 1 52 PHE H 2.600 . 4.800 2.184 2.165 2.196 . 0 0 "[ . 1]" 3
107 1 51 THR CG2 1 52 PHE H 3.600 . 7.500 3.312 3.292 3.375 . 0 0 "[ . 1]" 3
108 1 52 PHE H 1 52 PHE HA 2.600 . 4.800 2.969 2.965 2.973 . 0 0 "[ . 1]" 3
109 1 52 PHE H 1 52 PHE QB 3.100 . 6.000 2.370 2.318 2.391 . 0 0 "[ . 1]" 3
110 1 43 TRP HA 1 53 THR H 3.100 . 6.000 4.244 4.150 4.295 . 0 0 "[ . 1]" 3
111 1 52 PHE HA 1 53 THR H 2.600 . 4.800 2.363 2.353 2.378 . 0 0 "[ . 1]" 3
112 1 52 PHE QB 1 53 THR H 2.600 . 4.800 2.753 2.706 2.787 . 0 0 "[ . 1]" 3
113 1 53 THR HA 1 54 VAL H 2.100 . 3.000 2.241 2.203 2.272 . 0 0 "[ . 1]" 3
114 1 54 VAL HA 1 55 THR H 2.600 . 4.800 2.150 2.115 2.188 . 0 0 "[ . 1]" 3
115 1 55 THR H 1 55 THR HB 2.600 . 4.800 2.691 2.632 2.729 . 0 0 "[ . 1]" 3
116 1 9 GLY QA 1 56 GLU H 3.100 . 6.000 2.248 2.148 2.352 . 0 0 "[ . 1]" 3
117 1 55 THR HA 1 56 GLU H 2.600 . 4.800 2.140 2.116 2.169 . 0 0 "[ . 1]" 3
118 1 55 THR HB 1 56 GLU H 3.100 . 6.500 4.246 4.209 4.283 . 0 0 "[ . 1]" 3
119 1 56 GLU H 1 56 GLU QB 2.600 . 4.800 2.606 2.563 2.648 . 0 0 "[ . 1]" 3
120 1 56 GLU CG 1 56 GLU H 3.100 . 5.800 2.684 2.650 2.711 . 0 0 "[ . 1]" 3
121 1 4 LYS HA 1 5 LEU H 4.100 . 4.800 2.218 2.211 2.225 . 0 0 "[ . 1]" 3
122 1 5 LEU HA 1 6 ILE H 3.350 . 4.800 2.188 2.158 2.211 . 0 0 "[ . 1]" 3
123 1 7 LEU CD1 1 7 LEU H 3.850 . 7.000 3.334 2.189 3.658 . 0 0 "[ . 1]" 3
124 1 8 ASN QB 1 9 GLY H 4.100 . 7.600 3.991 3.922 4.042 . 0 0 "[ . 1]" 3
125 1 9 GLY H 1 12 LEU QB 3.350 . 6.000 4.289 3.934 4.522 . 0 0 "[ . 1]" 3
126 1 9 GLY H 1 56 GLU CG 3.850 . 7.000 5.564 5.397 5.727 . 0 0 "[ . 1]" 3
127 1 11 THR H 1 12 LEU QB 4.100 . 8.100 3.956 3.916 3.997 . 0 0 "[ . 1]" 3
128 1 8 ASN HA 1 13 LYS H 3.350 . 6.500 6.136 5.831 6.335 . 0 0 "[ . 1]" 3
129 1 13 LYS H 1 13 LYS QB 3.350 . 6.000 2.600 2.502 3.141 . 0 0 "[ . 1]" 3
130 1 13 LYS CG 1 13 LYS H 3.850 . 7.000 3.913 2.847 4.275 . 0 0 "[ . 1]" 3
131 1 6 ILE CG1 1 15 GLU H 3.850 . 8.000 7.680 6.983 7.870 . 0 0 "[ . 1]" 3
132 1 17 THR H 1 17 THR HB 4.100 . 8.100 3.490 3.127 3.802 . 0 0 "[ . 1]" 3
133 1 18 THR HA 1 19 GLU H 3.350 . 6.000 2.291 2.279 2.301 . 0 0 "[ . 1]" 3
134 1 21 VAL H 1 21 VAL HB 4.100 . 8.100 2.754 2.638 2.873 . 0 0 "[ . 1]" 3
135 1 21 VAL HA 1 22 ASP H 3.350 . 6.000 3.501 3.495 3.505 . 0 0 "[ . 1]" 3
136 1 22 ASP H 1 22 ASP QB 3.350 . 6.000 3.192 3.175 3.210 . 0 0 "[ . 1]" 3
137 1 22 ASP QB 1 25 THR H 2.600 . 3.800 3.975 3.922 4.047 0.247 5 0 "[ . 1]" 3
138 1 24 ALA HA 1 25 THR H 4.100 . 4.800 3.500 3.478 3.518 . 0 0 "[ . 1]" 3
139 1 25 THR HB 1 26 ALA H 3.350 . 6.000 2.721 2.258 3.174 . 0 0 "[ . 1]" 3
140 1 27 GLU CG 1 28 LYS H 4.600 . 9.100 2.551 2.515 2.620 . 0 0 "[ . 1]" 3
141 1 28 LYS CG 1 28 LYS H 4.600 . 8.600 3.054 3.003 3.125 . 0 0 "[ . 1]" 3
142 1 28 LYS HA 1 29 VAL H 2.600 . 3.800 3.489 3.477 3.505 . 0 0 "[ . 1]" 3
143 1 30 PHE HA 1 31 LYS H 3.350 . 6.000 3.531 3.509 3.549 . 0 0 "[ . 1]" 3
144 1 34 ALA HA 1 35 ASN H 4.100 . 4.800 3.575 3.550 3.593 . 0 0 "[ . 1]" 3
145 1 35 ASN H 1 39 VAL CG1 4.600 . 7.000 5.555 5.455 5.649 . 0 0 "[ . 1]" 3
146 1 36 ASP H 1 37 ASN QB 3.350 . 6.000 4.485 4.376 4.660 . 0 0 "[ . 1]" 3
147 1 35 ASN QB 1 37 ASN H 4.100 . 4.800 4.307 4.278 4.333 . 0 0 "[ . 1]" 3
148 1 36 ASP HA 1 37 ASN H 3.350 . 4.800 3.400 3.359 3.450 . 0 0 "[ . 1]" 3
149 1 48 ALA H 1 49 THR HB 3.350 . 6.000 5.988 5.948 6.021 0.021 8 0 "[ . 1]" 3
150 1 49 THR H 1 49 THR HB 4.100 . 7.600 3.644 3.608 3.673 . 0 0 "[ . 1]" 3
151 1 50 LYS CG 1 50 LYS H 4.600 . 9.100 3.215 3.185 3.250 . 0 0 "[ . 1]" 3
152 1 50 LYS QB 1 51 THR H 4.100 . 8.100 3.882 3.871 3.890 . 0 0 "[ . 1]" 3
153 1 1 MET H1 1 1 MET HA 4.600 . 10.300 2.936 2.823 2.965 . 0 0 "[ . 1]" 3
154 1 2 GLN HA 1 3 TYR H 4.600 . 10.300 2.062 2.028 2.086 . 0 0 "[ . 1]" 3
155 1 3 TYR H 1 3 TYR QB 3.350 . 4.800 2.702 2.651 2.958 . 0 0 "[ . 1]" 3
156 1 4 LYS H 1 17 THR HA 4.600 . 10.300 4.979 4.935 5.043 . 0 0 "[ . 1]" 3
157 1 4 LYS H 1 50 LYS QB 3.850 . 7.600 3.647 3.605 3.685 . 0 0 "[ . 1]" 3
158 1 4 LYS H 1 51 THR HA 3.850 . 7.600 2.556 2.469 2.657 . 0 0 "[ . 1]" 3
159 1 4 LYS H 1 52 PHE CD1 4.350 . 8.600 4.433 4.354 4.490 . 0 0 "[ . 1]" 3
160 1 6 ILE H 1 52 PHE HA 3.850 . 7.600 4.825 4.760 4.944 . 0 0 "[ . 1]" 3
161 1 6 ILE H 1 53 THR HB 4.600 . 10.300 3.974 3.909 4.011 . 0 0 "[ . 1]" 3
162 1 7 LEU QB 1 8 ASN H 4.600 . 10.300 3.290 3.127 3.348 . 0 0 "[ . 1]" 3
163 1 8 ASN H 1 9 GLY QA 4.600 . 10.300 3.931 3.864 4.082 . 0 0 "[ . 1]" 3
164 1 8 ASN H 1 55 THR HB 4.600 . 10.300 5.490 5.064 5.694 . 0 0 "[ . 1]" 3
165 1 11 THR H 1 11 THR HB 3.850 . 7.600 3.645 3.620 3.711 . 0 0 "[ . 1]" 3
166 1 11 THR H 1 12 LEU HA 3.850 . 7.600 4.749 4.733 4.786 . 0 0 "[ . 1]" 3
167 1 11 THR HA 1 12 LEU H 4.600 . 10.300 3.468 3.456 3.479 . 0 0 "[ . 1]" 3
168 1 12 LEU H 1 12 LEU HG 4.600 . 10.300 4.610 4.589 4.627 . 0 0 "[ . 1]" 3
169 1 13 LYS H 1 14 GLY QA 3.850 . 7.600 4.571 4.538 4.603 . 0 0 "[ . 1]" 3
170 1 6 ILE HA 1 14 GLY H 4.600 . 10.300 5.291 5.118 5.472 . 0 0 "[ . 1]" 3
171 1 13 LYS CG 1 14 GLY H 4.350 . 8.600 3.660 3.034 4.147 . 0 0 "[ . 1]" 3
172 1 7 LEU CD1 1 15 GLU H 4.350 . 8.600 4.118 3.901 4.189 . 0 0 "[ . 1]" 3
173 1 3 TYR HA 1 18 THR H 4.600 . 10.300 5.159 5.092 5.317 . 0 0 "[ . 1]" 3
174 1 18 THR CG2 1 18 THR H 4.350 . 8.600 3.282 3.259 3.310 . 0 0 "[ . 1]" 3
175 1 1 MET QB 1 22 ASP H 3.350 . 4.800 4.716 4.486 4.847 0.047 5 0 "[ . 1]" 3
176 1 22 ASP H 1 25 THR HB 4.600 . 10.300 3.287 2.482 4.116 . 0 0 "[ . 1]" 3
177 1 22 ASP QB 1 24 ALA H 3.850 . 7.600 2.841 2.770 2.914 . 0 0 "[ . 1]" 3
178 1 22 ASP HA 1 26 ALA H 4.600 . 10.300 5.148 5.086 5.230 . 0 0 "[ . 1]" 3
179 1 26 ALA H 1 28 LYS HA 4.600 . 10.300 7.329 7.299 7.351 . 0 0 "[ . 1]" 3
180 1 28 LYS CD 1 28 LYS H 3.850 . 5.800 4.180 4.133 4.229 . 0 0 "[ . 1]" 3
181 1 27 GLU QB 1 29 VAL H 3.850 . 7.600 4.992 4.953 5.026 . 0 0 "[ . 1]" 3
182 1 28 LYS QB 1 29 VAL H 3.350 . 4.800 2.817 2.771 2.843 . 0 0 "[ . 1]" 3
183 1 28 LYS CD 1 29 VAL H 5.100 . 11.300 5.588 5.542 5.619 . 0 0 "[ . 1]" 3
184 1 28 LYS CG 1 30 PHE H 5.100 . 11.300 6.482 6.424 6.506 . 0 0 "[ . 1]" 3
185 1 37 ASN H 1 39 VAL HA 4.600 . 10.300 6.285 5.984 6.483 . 0 0 "[ . 1]" 3
186 1 37 ASN H 1 39 VAL HB 3.850 . 7.600 4.958 4.373 5.317 . 0 0 "[ . 1]" 3
187 1 38 GLY H 1 39 VAL HB 3.850 . 7.600 5.142 4.720 5.398 . 0 0 "[ . 1]" 3
188 1 38 GLY H 1 39 VAL CG1 5.100 . 11.300 4.865 4.806 5.013 . 0 0 "[ . 1]" 3
189 1 39 VAL HB 1 40 ASP H 3.850 . 7.600 4.029 3.980 4.161 . 0 0 "[ . 1]" 3
190 1 43 TRP CD1 1 43 TRP H 5.100 . 11.300 3.378 3.269 3.459 . 0 0 "[ . 1]" 3
191 1 44 THR HB 1 45 TYR H 4.600 . 10.300 3.835 3.819 3.858 . 0 0 "[ . 1]" 3
192 1 45 TYR H 1 52 PHE QB 3.850 . 7.600 6.229 6.185 6.294 . 0 0 "[ . 1]" 3
193 1 47 ASP H 1 49 THR HB 4.600 . 10.300 7.298 7.250 7.351 . 0 0 "[ . 1]" 3
194 1 46 ASP HA 1 48 ALA H 4.600 . 10.300 3.636 3.603 3.672 . 0 0 "[ . 1]" 3
195 1 48 ALA H 1 49 THR CG2 5.100 . 11.300 5.460 5.391 5.598 . 0 0 "[ . 1]" 3
196 1 47 ASP HA 1 49 THR H 3.850 . 7.600 4.007 3.981 4.044 . 0 0 "[ . 1]" 3
197 1 47 ASP QB 1 49 THR H 3.850 . 7.600 4.921 4.747 5.020 . 0 0 "[ . 1]" 3
198 1 48 ALA HA 1 49 THR H 3.850 . 7.600 3.465 3.459 3.480 . 0 0 "[ . 1]" 3
199 1 49 THR H 1 50 LYS QB 4.600 . 10.300 4.964 4.934 5.017 . 0 0 "[ . 1]" 3
200 1 49 THR H 1 50 LYS CG 5.100 . 11.300 4.900 4.846 4.950 . 0 0 "[ . 1]" 3
201 1 49 THR HB 1 51 THR H 4.600 . 10.300 3.913 3.828 3.970 . 0 0 "[ . 1]" 3
202 1 5 LEU QB 1 53 THR H 3.850 . 7.600 6.344 6.280 6.473 . 0 0 "[ . 1]" 3
203 1 53 THR HB 1 54 VAL H 4.600 . 10.300 2.954 2.924 2.997 . 0 0 "[ . 1]" 3
204 1 41 GLY QA 1 55 THR H 3.350 . 4.800 3.109 2.996 3.201 . 0 0 "[ . 1]" 3
205 1 54 VAL HB 1 55 THR H 3.850 . 7.600 4.123 4.055 4.161 . 0 0 "[ . 1]" 3
206 1 54 VAL CG1 1 55 THR H 4.350 . 8.600 3.022 2.963 3.054 . 0 0 "[ . 1]" 3
207 1 1 MET CG 1 1 MET HA 3.100 . 5.000 2.532 2.507 2.616 . 0 0 "[ . 1]" 3
208 1 1 MET CE 1 1 MET QB 3.100 . 5.000 2.683 2.561 3.238 . 0 0 "[ . 1]" 3
209 1 6 ILE CD1 1 53 THR CG2 3.600 . 6.000 5.588 5.504 5.704 . 0 0 "[ . 1]" 3
210 1 7 LEU HA 1 7 LEU QB 2.600 . 4.000 2.325 2.162 2.373 . 0 0 "[ . 1]" 3
211 1 10 LYS HA 1 10 LYS QB 2.600 . 4.000 2.190 2.185 2.194 . 0 0 "[ . 1]" 3
212 1 10 LYS CG 1 10 LYS HA 3.100 . 5.000 3.437 3.433 3.442 . 0 0 "[ . 1]" 3
213 1 12 LEU CD1 1 12 LEU HA 3.100 . 5.000 3.966 3.881 4.013 . 0 0 "[ . 1]" 3
214 1 17 THR CG2 1 17 THR HA 3.100 . 5.000 3.021 2.582 3.438 . 0 0 "[ . 1]" 3
215 1 22 ASP CB 1 24 ALA MB 3.100 . 5.000 3.775 3.717 3.936 . 0 0 "[ . 1]" 3
216 1 20 ALA MB 1 25 THR CG2 3.100 . 5.000 3.513 3.124 3.910 . 0 0 "[ . 1]" 3
217 1 28 LYS CE 1 28 LYS QB 3.100 . 5.000 2.820 2.790 2.849 . 0 0 "[ . 1]" 3
218 1 12 LEU CD1 1 39 VAL CG1 3.600 . 6.000 3.422 3.251 3.596 . 0 0 "[ . 1]" 3
219 1 34 ALA MB 1 39 VAL CG1 3.100 . 5.000 2.994 2.806 3.099 . 0 0 "[ . 1]" 3
220 1 48 ALA MB 1 49 THR CG2 3.100 . 5.000 3.931 3.840 4.042 . 0 0 "[ . 1]" 3
221 1 9 GLY QA 1 10 LYS CG 3.100 . 5.000 4.415 4.352 4.474 . 0 0 "[ . 1]" 3
222 1 9 GLY QA 1 12 LEU CB 3.100 . 5.000 3.914 3.657 4.231 . 0 0 "[ . 1]" 3
223 1 27 GLU CB 1 28 LYS CE 3.600 . 6.000 6.154 6.086 6.189 0.189 10 0 "[ . 1]" 3
224 1 27 GLU CG 1 28 LYS CD 3.600 . 6.000 4.912 4.870 4.970 . 0 0 "[ . 1]" 3
225 1 38 GLY QA 1 39 VAL CG1 3.100 . 5.000 4.584 4.508 4.625 . 0 0 "[ . 1]" 3
226 1 55 THR CG2 1 55 THR HA 3.100 . 5.000 2.704 2.670 2.751 . 0 0 "[ . 1]" 3
227 1 4 LYS H 1 51 THR H 3.500 . 6.000 4.719 4.666 4.771 . 0 0 "[ . 1]" 3
228 1 4 LYS H 1 52 PHE H 3.500 . 3.500 3.549 3.515 3.591 0.091 8 0 "[ . 1]" 3
229 1 5 LEU H 1 16 THR H 2.500 . 3.500 2.798 2.729 2.967 . 0 0 "[ . 1]" 3
230 1 5 LEU H 1 52 PHE H 5.000 . 5.500 4.526 4.496 4.590 . 0 0 "[ . 1]" 3
231 1 6 ILE H 1 52 PHE H 3.500 . 3.500 3.730 3.692 3.776 0.276 6 0 "[ . 1]" 3
232 1 8 ASN H 1 9 GLY H 3.500 . 5.500 3.079 2.999 3.279 . 0 0 "[ . 1]" 3
233 1 8 ASN H 1 10 LYS H 5.000 . 8.500 6.517 6.482 6.570 . 0 0 "[ . 1]" 3
234 1 8 ASN H 1 56 GLU H 3.500 . 5.500 4.615 4.366 4.902 . 0 0 "[ . 1]" 3
235 1 7 LEU H 1 9 GLY H 3.500 . 6.000 5.700 5.430 5.791 . 0 0 "[ . 1]" 3
236 1 9 GLY H 1 10 LYS H 3.500 . 5.500 4.559 4.542 4.581 . 0 0 "[ . 1]" 3
237 1 9 GLY H 1 12 LEU H 5.000 . 5.500 4.063 3.981 4.198 . 0 0 "[ . 1]" 3
238 1 9 GLY H 1 14 GLY H 3.500 . 5.500 4.487 4.354 4.600 . 0 0 "[ . 1]" 3
239 1 9 GLY H 1 55 THR HG1 5.000 . 9.000 6.995 5.912 7.276 . 0 0 "[ . 1]" 3
240 1 9 GLY H 1 56 GLU H 3.500 . 5.500 4.639 4.463 4.798 . 0 0 "[ . 1]" 3
241 1 9 GLY H 1 11 THR H 5.000 . 8.500 5.161 5.112 5.245 . 0 0 "[ . 1]" 3
242 1 10 LYS H 1 11 THR H 3.500 . 3.500 2.480 2.456 2.511 . 0 0 "[ . 1]" 3
243 1 11 THR H 1 12 LEU H 3.500 . 3.500 1.962 1.942 2.003 . 0 0 "[ . 1]" 3
244 1 11 THR H 1 56 GLU H 5.000 . 8.500 5.852 5.774 5.933 . 0 0 "[ . 1]" 3
245 1 10 LYS H 1 12 LEU H 3.500 . 3.500 3.578 3.549 3.613 0.113 3 0 "[ . 1]" 3
246 1 12 LEU H 1 56 GLU H 5.000 . 8.500 6.186 6.093 6.289 . 0 0 "[ . 1]" 3
247 1 10 LYS H 1 13 LYS H 5.000 . 9.000 7.265 7.137 7.346 . 0 0 "[ . 1]" 3
248 1 7 LEU H 1 14 GLY H 2.500 . 3.500 3.411 3.222 3.605 0.105 6 0 "[ . 1]" 3
249 1 13 LYS H 1 14 GLY H 3.500 . 5.500 4.432 4.414 4.457 . 0 0 "[ . 1]" 3
250 1 16 THR H 1 52 PHE H 5.000 . 8.500 6.770 6.692 6.998 . 0 0 "[ . 1]" 3
251 1 21 VAL H 1 22 ASP H 2.500 . 3.500 2.424 2.408 2.435 . 0 0 "[ . 1]" 3
252 1 22 ASP H 1 23 ALA H 3.500 . 5.500 4.341 4.334 4.352 . 0 0 "[ . 1]" 3
253 1 27 GLU H 1 28 LYS H 2.500 . 3.500 2.797 2.784 2.818 . 0 0 "[ . 1]" 3
254 1 28 LYS H 1 29 VAL H 3.500 . 3.500 2.536 2.501 2.559 . 0 0 "[ . 1]" 3
255 1 29 VAL H 1 30 PHE H 2.500 . 3.500 2.645 2.606 2.661 . 0 0 "[ . 1]" 3
256 1 31 LYS H 1 43 TRP HE1 5.000 . 9.000 7.223 6.990 7.497 . 0 0 "[ . 1]" 3
257 1 32 GLN H 1 43 TRP HE1 5.000 . 9.000 8.150 7.860 8.419 . 0 0 "[ . 1]" 3
258 1 35 ASN H 1 43 TRP HE1 5.000 . 9.000 6.411 6.098 6.757 . 0 0 "[ . 1]" 3
259 1 35 ASN QD 1 36 ASP H 5.000 . 5.500 4.711 3.049 5.124 . 0 0 "[ . 1]" 3
260 1 35 ASN QD 1 39 VAL H 3.500 . 6.000 5.209 3.765 6.015 0.015 2 0 "[ . 1]" 3
261 1 37 ASN H 1 38 GLY H 3.500 . 3.500 2.415 2.183 2.597 . 0 0 "[ . 1]" 3
262 1 38 GLY H 1 39 VAL H 3.500 . 3.500 2.687 2.410 2.930 . 0 0 "[ . 1]" 3
263 1 39 VAL H 1 40 ASP H 3.500 . 5.500 4.502 4.467 4.528 . 0 0 "[ . 1]" 3
264 1 39 VAL H 1 43 TRP HE1 5.000 . 9.000 7.166 6.806 7.689 . 0 0 "[ . 1]" 3
265 1 40 ASP H 1 41 GLY H 3.500 . 5.500 3.999 3.935 4.044 . 0 0 "[ . 1]" 3
266 1 10 LYS H 1 41 GLY H 5.000 . 8.500 8.058 7.946 8.156 . 0 0 "[ . 1]" 3
267 1 41 GLY H 1 42 GLU H 3.500 . 5.500 4.184 4.168 4.209 . 0 0 "[ . 1]" 3
268 1 41 GLY H 1 43 TRP HE1 2.500 . 3.500 2.647 2.343 2.838 . 0 0 "[ . 1]" 3
269 1 41 GLY H 1 55 THR HG1 5.000 . 9.000 8.572 7.795 8.920 . 0 0 "[ . 1]" 3
270 1 42 GLU H 1 43 TRP HE1 3.500 . 6.000 5.314 5.126 5.511 . 0 0 "[ . 1]" 3
271 1 42 GLU H 1 55 THR HG1 3.500 . 6.000 5.195 4.885 5.533 . 0 0 "[ . 1]" 3
272 1 43 TRP H 1 43 TRP HE1 3.500 . 6.000 5.250 5.124 5.354 . 0 0 "[ . 1]" 3
273 1 43 TRP H 1 44 THR HG1 5.000 . 9.000 7.449 7.223 7.700 . 0 0 "[ . 1]" 3
274 1 43 TRP H 1 55 THR HG1 5.000 . 9.000 7.535 7.078 8.030 . 0 0 "[ . 1]" 3
275 1 35 ASN QD 1 43 TRP HE1 5.000 . 9.000 6.417 4.115 8.688 . 0 0 "[ . 1]" 3
276 1 44 THR H 1 44 THR HG1 3.500 . 6.000 4.512 4.020 4.772 . 0 0 "[ . 1]" 3
277 1 44 THR HG1 1 46 ASP H 5.000 . 8.500 5.522 4.551 6.076 . 0 0 "[ . 1]" 3
278 1 47 ASP H 1 49 THR H 3.500 . 5.500 4.081 4.042 4.116 . 0 0 "[ . 1]" 3
279 1 49 THR H 1 50 LYS H 5.000 . 8.500 2.016 1.987 2.051 . 0 0 "[ . 1]" 3
280 1 49 THR H 1 51 THR H 3.500 . 6.000 3.751 3.718 3.806 . 0 0 "[ . 1]" 3
281 1 49 THR H 1 52 PHE H 5.000 . 9.000 8.117 8.088 8.160 . 0 0 "[ . 1]" 3
282 1 50 LYS H 1 51 THR H 3.500 . 5.500 2.747 2.715 2.773 . 0 0 "[ . 1]" 3
283 1 48 ALA H 1 51 THR H 3.500 . 6.000 5.364 5.329 5.416 . 0 0 "[ . 1]" 3
284 1 51 THR H 1 52 PHE H 3.500 . 5.500 4.385 4.367 4.394 . 0 0 "[ . 1]" 3
285 1 52 PHE H 1 53 THR HG1 5.000 . 9.000 7.501 7.151 7.668 . 0 0 "[ . 1]" 3
286 1 52 PHE H 1 54 VAL H 5.000 . 8.500 7.021 6.946 7.059 . 0 0 "[ . 1]" 3
287 1 44 THR H 1 53 THR H 3.500 . 3.500 2.850 2.813 2.885 . 0 0 "[ . 1]" 3
288 1 53 THR H 1 53 THR HG1 3.500 . 5.500 4.056 3.768 4.194 . 0 0 "[ . 1]" 3
289 1 53 THR H 1 55 THR HG1 5.000 . 9.000 7.228 6.714 7.641 . 0 0 "[ . 1]" 3
290 1 53 THR H 1 55 THR H 5.000 . 9.000 6.764 6.726 6.833 . 0 0 "[ . 1]" 3
291 1 8 ASN H 1 54 VAL H 2.500 . 3.500 3.497 3.421 3.552 0.052 8 0 "[ . 1]" 3
292 1 54 VAL H 1 55 THR HG1 5.000 . 9.000 4.780 3.613 5.162 . 0 0 "[ . 1]" 3
293 1 43 TRP HE1 1 54 VAL H 5.000 . 9.000 7.005 6.880 7.137 . 0 0 "[ . 1]" 3
294 1 43 TRP HE1 1 55 THR H 5.000 . 9.000 5.344 5.199 5.485 . 0 0 "[ . 1]" 3
295 1 55 THR H 1 55 THR HG1 3.500 . 6.000 3.672 2.972 4.084 . 0 0 "[ . 1]" 3
296 1 10 LYS H 1 56 GLU H 3.500 . 3.500 3.594 3.534 3.670 0.170 7 0 "[ . 1]" 3
297 1 42 GLU H 1 56 GLU H 3.500 . 5.500 4.658 4.591 4.750 . 0 0 "[ . 1]" 3
298 1 55 THR HG1 1 56 GLU H 5.000 . 9.000 5.268 4.482 5.416 . 0 0 "[ . 1]" 3
299 1 55 THR H 1 56 GLU H 3.500 . 5.500 4.214 4.198 4.228 . 0 0 "[ . 1]" 3
300 1 2 GLN H 1 2 GLN QE 4.750 . 8.500 5.485 4.856 5.782 . 0 0 "[ . 1]" 3
301 1 2 GLN H 1 3 TYR H 3.250 . 5.500 4.452 4.394 4.471 . 0 0 "[ . 1]" 3
302 1 2 GLN H 1 18 THR H 4.750 . 8.500 7.616 7.402 7.696 . 0 0 "[ . 1]" 3
303 1 2 GLN H 1 20 ALA H 3.250 . 5.500 4.918 4.784 5.064 . 0 0 "[ . 1]" 3
304 1 3 TYR H 1 18 THR H 2.250 . 3.500 3.403 3.310 3.494 . 0 0 "[ . 1]" 3
305 1 3 TYR H 1 19 GLU H 4.750 . 5.500 4.969 4.892 5.286 . 0 0 "[ . 1]" 3
306 1 2 GLN H 1 4 LYS H 4.750 . 8.500 7.558 7.417 7.665 . 0 0 "[ . 1]" 3
307 1 3 TYR H 1 4 LYS H 3.250 . 5.500 4.492 4.476 4.503 . 0 0 "[ . 1]" 3
308 1 5 LEU H 1 14 GLY H 4.750 . 9.500 9.339 9.214 9.484 . 0 0 "[ . 1]" 3
309 1 5 LEU H 1 17 THR H 4.750 . 8.500 4.719 4.693 4.765 . 0 0 "[ . 1]" 3
310 1 5 LEU H 1 54 VAL H 4.750 . 8.500 8.099 8.019 8.130 . 0 0 "[ . 1]" 3
311 1 5 LEU H 1 6 ILE H 3.250 . 5.500 4.416 4.388 4.446 . 0 0 "[ . 1]" 3
312 1 6 ILE H 1 54 VAL H 3.250 . 5.500 4.066 3.983 4.139 . 0 0 "[ . 1]" 3
313 1 6 ILE H 1 7 LEU H 3.250 . 5.500 4.374 4.297 4.418 . 0 0 "[ . 1]" 3
314 1 7 LEU H 1 15 GLU H 4.750 . 8.500 4.765 4.630 5.011 . 0 0 "[ . 1]" 3
315 1 7 LEU H 1 54 VAL H 3.250 . 5.500 4.940 4.731 5.036 . 0 0 "[ . 1]" 3
316 1 8 ASN H 1 14 GLY H 3.250 . 5.500 5.152 4.857 5.474 . 0 0 "[ . 1]" 3
317 1 8 ASN H 1 55 THR H 4.750 . 5.500 4.900 4.571 5.035 . 0 0 "[ . 1]" 3
318 1 12 LEU H 1 14 GLY H 4.750 . 8.500 7.250 7.198 7.283 . 0 0 "[ . 1]" 3
319 1 7 LEU H 1 13 LYS H 4.750 . 8.500 7.186 7.094 7.287 . 0 0 "[ . 1]" 3
320 1 9 GLY H 1 13 LYS H 4.750 . 5.500 4.638 4.410 4.735 . 0 0 "[ . 1]" 3
321 1 12 LEU H 1 13 LYS H 3.250 . 5.500 4.253 4.188 4.278 . 0 0 "[ . 1]" 3
322 1 14 GLY H 1 15 GLU H 3.250 . 5.500 4.399 4.372 4.426 . 0 0 "[ . 1]" 3
323 1 16 THR H 1 17 THR H 3.250 . 5.500 4.386 4.372 4.402 . 0 0 "[ . 1]" 3
324 1 16 THR H 1 18 THR H 4.750 . 8.500 6.770 6.751 6.798 . 0 0 "[ . 1]" 3
325 1 17 THR H 1 18 THR H 3.250 . 5.500 4.426 4.405 4.447 . 0 0 "[ . 1]" 3
326 1 17 THR H 1 19 GLU H 4.750 . 8.500 7.354 7.309 7.389 . 0 0 "[ . 1]" 3
327 1 2 GLN QE 1 18 THR H 4.750 . 8.500 3.694 2.307 5.143 . 0 0 "[ . 1]" 3
328 1 18 THR H 1 19 GLU H 3.250 . 5.500 4.358 4.349 4.373 . 0 0 "[ . 1]" 3
329 1 2 GLN H 1 19 GLU H 4.750 . 8.500 7.599 7.526 7.629 . 0 0 "[ . 1]" 3
330 1 19 GLU H 1 20 ALA H 3.250 . 5.500 4.445 4.438 4.452 . 0 0 "[ . 1]" 3
331 1 19 GLU H 1 22 ASP H 4.750 . 8.500 8.899 8.870 8.931 0.431 6 0 "[ . 1]" 3
332 1 3 TYR H 1 20 ALA H 3.250 . 5.500 4.081 4.021 4.207 . 0 0 "[ . 1]" 3
333 1 20 ALA H 1 21 VAL H 4.750 . 8.500 4.410 4.397 4.422 . 0 0 "[ . 1]" 3
334 1 20 ALA H 1 22 ASP H 4.750 . 8.500 5.176 5.118 5.217 . 0 0 "[ . 1]" 3
335 1 21 VAL H 1 23 ALA H 4.750 . 6.500 6.713 6.692 6.730 0.230 9 0 "[ . 1]" 3
336 1 21 VAL H 1 24 ALA H 4.750 . 8.500 7.047 6.955 7.129 . 0 0 "[ . 1]" 3
337 1 2 GLN H 1 22 ASP H 4.750 . 8.500 8.551 8.402 8.639 0.139 5 0 "[ . 1]" 3
338 1 22 ASP H 1 24 ALA H 4.750 . 8.500 4.790 4.697 4.858 . 0 0 "[ . 1]" 3
339 1 23 ALA H 1 24 ALA H 2.250 . 3.500 2.480 2.463 2.520 . 0 0 "[ . 1]" 3
340 1 24 ALA H 1 27 GLU H 3.250 . 5.500 4.787 4.741 4.820 . 0 0 "[ . 1]" 3
341 1 23 ALA H 1 25 THR H 4.750 . 5.500 4.043 3.990 4.091 . 0 0 "[ . 1]" 3
342 1 24 ALA H 1 25 THR H 3.250 . 5.500 2.703 2.662 2.741 . 0 0 "[ . 1]" 3
343 1 25 THR H 1 26 ALA H 3.250 . 5.500 2.484 2.465 2.510 . 0 0 "[ . 1]" 3
344 1 25 THR H 1 28 LYS H 4.750 . 8.500 4.994 4.967 5.013 . 0 0 "[ . 1]" 3
345 1 25 THR H 1 29 VAL H 4.750 . 8.500 6.147 6.076 6.234 . 0 0 "[ . 1]" 3
346 1 23 ALA H 1 26 ALA H 3.250 . 5.500 4.791 4.722 4.866 . 0 0 "[ . 1]" 3
347 1 24 ALA H 1 26 ALA H 3.250 . 5.500 4.442 4.380 4.495 . 0 0 "[ . 1]" 3
348 1 26 ALA H 1 27 GLU H 2.250 . 3.500 2.814 2.779 2.842 . 0 0 "[ . 1]" 3
349 1 26 ALA H 1 28 LYS H 3.250 . 5.500 4.571 4.539 4.603 . 0 0 "[ . 1]" 3
350 1 26 ALA H 1 29 VAL H 3.250 . 5.500 4.856 4.822 4.914 . 0 0 "[ . 1]" 3
351 1 25 THR H 1 27 GLU H 3.250 . 5.500 3.798 3.773 3.822 . 0 0 "[ . 1]" 3
352 1 27 GLU H 1 29 VAL H 3.250 . 5.500 4.003 3.964 4.054 . 0 0 "[ . 1]" 3
353 1 27 GLU H 1 31 LYS H 4.750 . 8.500 6.165 6.114 6.230 . 0 0 "[ . 1]" 3
354 1 27 GLU H 1 32 GLN H 4.750 . 8.500 7.880 7.837 7.944 . 0 0 "[ . 1]" 3
355 1 28 LYS H 1 30 PHE H 4.750 . 5.500 4.272 4.195 4.302 . 0 0 "[ . 1]" 3
356 1 28 LYS H 1 31 LYS H 4.750 . 8.500 4.885 4.856 4.940 . 0 0 "[ . 1]" 3
357 1 28 LYS H 1 32 GLN H 4.750 . 8.500 5.979 5.912 6.069 . 0 0 "[ . 1]" 3
358 1 29 VAL H 1 31 LYS H 3.250 . 5.500 4.105 4.061 4.137 . 0 0 "[ . 1]" 3
359 1 29 VAL H 1 32 GLN QE 4.750 . 8.500 5.314 5.020 6.597 . 0 0 "[ . 1]" 3
360 1 29 VAL H 1 32 GLN H 4.750 . 5.500 4.650 4.570 4.717 . 0 0 "[ . 1]" 3
361 1 30 PHE H 1 31 LYS H 2.250 . 3.500 2.629 2.583 2.675 . 0 0 "[ . 1]" 3
362 1 30 PHE H 1 32 GLN QE 4.750 . 8.500 6.081 5.921 6.949 . 0 0 "[ . 1]" 3
363 1 30 PHE H 1 32 GLN H 3.250 . 5.500 3.991 3.923 4.044 . 0 0 "[ . 1]" 3
364 1 30 PHE H 1 35 ASN H 4.750 . 8.500 7.619 7.523 7.711 . 0 0 "[ . 1]" 3
365 1 31 LYS H 1 32 GLN QE 4.750 . 8.500 5.942 5.733 6.068 . 0 0 "[ . 1]" 3
366 1 31 LYS H 1 32 GLN H 3.250 . 3.500 2.550 2.511 2.594 . 0 0 "[ . 1]" 3
367 1 31 LYS H 1 35 ASN H 3.250 . 5.500 5.675 5.591 5.770 0.270 2 0 "[ . 1]" 3
368 1 32 GLN H 1 33 TYR H 2.250 . 3.500 2.627 2.590 2.660 . 0 0 "[ . 1]" 3
369 1 28 LYS H 1 33 TYR H 4.750 . 8.500 7.932 7.828 8.044 . 0 0 "[ . 1]" 3
370 1 29 VAL H 1 33 TYR H 4.750 . 8.500 6.031 5.938 6.160 . 0 0 "[ . 1]" 3
371 1 33 TYR H 1 34 ALA H 2.250 . 3.500 2.780 2.703 2.865 . 0 0 "[ . 1]" 3
372 1 33 TYR H 1 35 ASN H 4.750 . 5.500 4.020 3.896 4.123 . 0 0 "[ . 1]" 3
373 1 32 GLN H 1 34 ALA H 3.250 . 5.500 4.203 4.129 4.291 . 0 0 "[ . 1]" 3
374 1 34 ALA H 1 35 ASN QD 4.750 . 8.500 6.442 4.949 6.981 . 0 0 "[ . 1]" 3
375 1 34 ALA H 1 35 ASN H 2.250 . 3.500 2.686 2.659 2.736 . 0 0 "[ . 1]" 3
376 1 34 ALA H 1 39 VAL H 3.250 . 5.500 5.682 5.532 5.810 0.310 9 0 "[ . 1]" 3
377 1 32 GLN QE 1 35 ASN H 4.750 . 8.500 6.676 5.015 7.036 . 0 0 "[ . 1]" 3
378 1 32 GLN H 1 35 ASN H 3.250 . 5.500 4.456 4.333 4.569 . 0 0 "[ . 1]" 3
379 1 35 ASN H 1 35 ASN QD 4.750 . 8.500 4.125 2.878 4.567 . 0 0 "[ . 1]" 3
380 1 35 ASN H 1 36 ASP H 2.250 . 3.500 2.602 2.477 2.749 . 0 0 "[ . 1]" 3
381 1 35 ASN QD 1 37 ASN H 4.750 . 8.500 5.575 4.608 6.083 . 0 0 "[ . 1]" 3
382 1 35 ASN H 1 37 ASN H 3.250 . 5.500 3.657 3.625 3.697 . 0 0 "[ . 1]" 3
383 1 36 ASP H 1 37 ASN H 3.250 . 5.500 2.468 2.362 2.635 . 0 0 "[ . 1]" 3
384 1 37 ASN H 1 39 VAL H 2.250 . 3.500 3.442 3.051 3.708 0.208 10 0 "[ . 1]" 3
385 1 33 TYR H 1 38 GLY H 4.750 . 8.500 8.004 7.885 8.109 . 0 0 "[ . 1]" 3
386 1 35 ASN QD 1 38 GLY H 4.750 . 8.500 5.084 4.639 5.614 . 0 0 "[ . 1]" 3
387 1 35 ASN H 1 38 GLY H 4.750 . 8.500 4.925 4.839 5.001 . 0 0 "[ . 1]" 3
388 1 38 GLY H 1 40 ASP H 4.750 . 8.500 6.779 6.466 7.010 . 0 0 "[ . 1]" 3
389 1 35 ASN H 1 39 VAL H 3.250 . 5.500 4.544 4.381 4.694 . 0 0 "[ . 1]" 3
390 1 12 LEU H 1 40 ASP H 4.750 . 8.500 6.702 6.548 6.847 . 0 0 "[ . 1]" 3
391 1 40 ASP H 1 43 TRP HE1 3.250 . 5.500 5.843 5.801 5.892 0.392 4 0 "[ . 1]" 3
392 1 35 ASN H 1 40 ASP H 4.750 . 8.500 7.596 7.086 8.067 . 0 0 "[ . 1]" 3
393 1 41 GLY H 1 55 THR H 4.750 . 5.500 4.994 4.840 5.121 . 0 0 "[ . 1]" 3
394 1 40 ASP H 1 42 GLU H 4.750 . 8.500 6.919 6.870 6.975 . 0 0 "[ . 1]" 3
395 1 42 GLU H 1 43 TRP H 3.250 . 5.500 4.437 4.417 4.458 . 0 0 "[ . 1]" 3
396 1 42 GLU H 1 54 VAL H 3.250 . 6.500 6.619 6.558 6.694 0.194 4 0 "[ . 1]" 3
397 1 42 GLU H 1 55 THR H 2.250 . 3.500 2.388 2.325 2.474 . 0 0 "[ . 1]" 3
398 1 41 GLY H 1 43 TRP H 4.750 . 8.500 5.949 5.865 5.996 . 0 0 "[ . 1]" 3
399 1 43 TRP H 1 55 THR H 3.250 . 5.500 5.089 5.003 5.170 . 0 0 "[ . 1]" 3
400 1 42 GLU H 1 44 THR H 4.750 . 8.500 6.854 6.820 6.878 . 0 0 "[ . 1]" 3
401 1 43 TRP H 1 44 THR H 3.250 . 5.500 4.440 4.423 4.455 . 0 0 "[ . 1]" 3
402 1 46 ASP H 1 48 ALA H 4.750 . 8.500 5.519 5.466 5.571 . 0 0 "[ . 1]" 3
403 1 46 ASP H 1 52 PHE H 4.750 . 5.500 5.073 5.027 5.115 . 0 0 "[ . 1]" 3
404 1 46 ASP H 1 53 THR H 3.250 . 5.500 5.426 5.325 5.491 . 0 0 "[ . 1]" 3
405 1 45 TYR H 1 47 ASP H 4.750 . 8.500 6.378 6.354 6.405 . 0 0 "[ . 1]" 3
406 1 46 ASP H 1 47 ASP H 3.250 . 5.500 4.229 4.212 4.250 . 0 0 "[ . 1]" 3
407 1 47 ASP H 1 50 LYS H 4.750 . 5.500 4.514 4.481 4.545 . 0 0 "[ . 1]" 3
408 1 47 ASP H 1 48 ALA H 2.250 . 3.500 2.447 2.422 2.470 . 0 0 "[ . 1]" 3
409 1 48 ALA H 1 49 THR H 4.750 . 8.500 2.421 2.406 2.450 . 0 0 "[ . 1]" 3
410 1 48 ALA H 1 50 LYS H 4.750 . 8.500 3.619 3.588 3.657 . 0 0 "[ . 1]" 3
411 1 6 ILE H 1 53 THR H 4.750 . 8.500 4.381 4.317 4.529 . 0 0 "[ . 1]" 3
412 1 53 THR H 1 54 VAL H 4.750 . 8.500 4.373 4.348 4.387 . 0 0 "[ . 1]" 3
413 1 53 THR HG1 1 54 VAL H 4.750 . 8.500 4.070 3.575 4.661 . 0 0 "[ . 1]" 3
414 1 54 VAL H 1 55 THR H 3.250 . 5.500 4.266 4.250 4.285 . 0 0 "[ . 1]" 3
415 1 54 VAL H 1 56 GLU H 4.750 . 8.500 6.669 6.604 6.741 . 0 0 "[ . 1]" 3
416 1 7 LEU H 1 55 THR H 4.750 . 8.500 8.569 8.272 8.694 0.194 2 0 "[ . 1]" 3
417 1 40 ASP H 1 56 GLU H 3.250 . 5.500 5.830 5.727 5.890 0.390 3 0 "[ . 1]" 3
418 1 14 GLY H 1 16 THR H 4.750 . 8.500 7.040 6.963 7.115 . 0 0 "[ . 1]" 3
419 1 24 ALA H 1 28 LYS H 4.750 . 8.500 6.472 6.422 6.507 . 0 0 "[ . 1]" 3
420 1 23 ALA H 1 27 GLU H 3.250 . 5.500 5.720 5.634 5.755 0.255 10 0 "[ . 1]" 3
421 1 28 LYS H 1 32 GLN QE 4.750 . 8.500 6.846 6.544 7.519 . 0 0 "[ . 1]" 3
422 1 36 ASP H 1 38 GLY H 3.250 . 5.500 4.043 3.950 4.145 . 0 0 "[ . 1]" 3
423 1 36 ASP H 1 39 VAL H 3.250 . 5.500 5.088 4.965 5.194 . 0 0 "[ . 1]" 3
424 1 39 VAL H 1 41 GLY H 4.750 . 8.500 6.910 6.764 7.100 . 0 0 "[ . 1]" 3
425 1 44 THR H 1 45 TYR H 3.250 . 5.500 4.401 4.391 4.410 . 0 0 "[ . 1]" 3
426 1 44 THR H 1 54 VAL H 4.750 . 8.500 5.416 5.383 5.487 . 0 0 "[ . 1]" 3
427 1 44 THR HG1 1 45 TYR H 4.750 . 8.500 2.650 1.805 3.220 . 0 0 "[ . 1]" 3
428 1 45 TYR H 1 46 ASP H 4.750 . 8.500 4.310 4.291 4.328 . 0 0 "[ . 1]" 3
429 1 47 ASP H 1 51 THR H 4.750 . 8.500 5.351 5.327 5.387 . 0 0 "[ . 1]" 3
430 1 52 PHE H 1 53 THR H 3.250 . 5.500 4.516 4.507 4.528 . 0 0 "[ . 1]" 3
431 1 53 THR HG1 1 54 VAL H 4.750 . 8.500 3.635 3.382 3.883 . 0 0 "[ . 1]" 3
432 1 43 TRP HE1 1 56 GLU H 4.750 . 8.500 7.659 7.574 7.764 . 0 0 "[ . 1]" 3
433 1 43 TRP H 1 56 GLU H 4.750 . 8.500 8.865 8.807 8.939 0.439 10 0 "[ . 1]" 3
stop_
save_
save_distance_constraint_statistics_4
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 4
_Distance_constraint_stats_list.Constraint_count 7
_Distance_constraint_stats_list.Viol_count 6
_Distance_constraint_stats_list.Viol_total 5.443
_Distance_constraint_stats_list.Viol_max 0.154
_Distance_constraint_stats_list.Viol_rms 0.0275
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0078
_Distance_constraint_stats_list.Viol_average_violations_only 0.0907
_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 GLN 0.000 0.000 . 0 "[ . 1]"
1 3 TYR 0.000 0.000 . 0 "[ . 1]"
1 12 LEU 0.544 0.154 10 0 "[ . 1]"
1 14 GLY 0.544 0.154 10 0 "[ . 1]"
1 18 THR 0.000 0.000 . 0 "[ . 1]"
1 28 LYS 0.000 0.000 . 0 "[ . 1]"
1 29 VAL 0.000 0.000 . 0 "[ . 1]"
1 30 PHE 0.000 0.000 . 0 "[ . 1]"
1 33 TYR 0.000 0.000 . 0 "[ . 1]"
1 34 ALA 0.000 0.000 . 0 "[ . 1]"
1 45 TYR 0.000 0.000 . 0 "[ . 1]"
1 47 ASP 0.000 0.000 . 0 "[ . 1]"
1 50 LYS 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 2 GLN CD 1 3 TYR CG 4.600 . 8.200 6.949 6.222 7.756 . 0 0 "[ . 1]" 4
2 1 12 LEU CG 1 14 GLY CA 3.825 . 6.650 6.682 6.567 6.804 0.154 10 0 "[ . 1]" 4
3 1 28 LYS CB 1 29 VAL CA 3.825 . 6.650 4.540 4.517 4.555 . 0 0 "[ . 1]" 4
4 1 18 THR CA 1 30 PHE CG 4.600 . 8.200 6.644 6.427 6.852 . 0 0 "[ . 1]" 4
5 1 33 TYR CE1 1 34 ALA CA 3.825 . 6.650 4.463 4.126 5.698 . 0 0 "[ . 1]" 4
6 1 45 TYR CG 1 47 ASP CB 3.825 . 6.650 5.596 5.570 5.646 . 0 0 "[ . 1]" 4
7 1 3 TYR CE1 1 50 LYS CA 4.600 . 8.200 7.036 6.954 7.163 . 0 0 "[ . 1]" 4
stop_
save_
save_distance_constraint_statistics_5
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 5
_Distance_constraint_stats_list.Constraint_count 384
_Distance_constraint_stats_list.Viol_count 1450
_Distance_constraint_stats_list.Viol_total 2000.159
_Distance_constraint_stats_list.Viol_max 0.484
_Distance_constraint_stats_list.Viol_rms 0.0951
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0521
_Distance_constraint_stats_list.Viol_average_violations_only 0.1379
_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 1 MET 8.262 0.410 6 0 "[ . 1]"
1 2 GLN 2.563 0.228 5 0 "[ . 1]"
1 3 TYR 3.882 0.267 5 0 "[ . 1]"
1 4 LYS 7.638 0.346 6 0 "[ . 1]"
1 5 LEU 11.420 0.361 8 0 "[ . 1]"
1 6 ILE 12.459 0.477 1 0 "[ . 1]"
1 7 LEU 16.354 0.484 10 0 "[ . 1]"
1 8 ASN 5.286 0.353 9 0 "[ . 1]"
1 9 GLY 0.197 0.039 9 0 "[ . 1]"
1 10 LYS 9.922 0.315 6 0 "[ . 1]"
1 11 THR 1.884 0.172 7 0 "[ . 1]"
1 12 LEU 4.541 0.183 9 0 "[ . 1]"
1 13 LYS 9.344 0.458 7 0 "[ . 1]"
1 14 GLY 3.665 0.484 10 0 "[ . 1]"
1 15 GLU 15.291 0.478 10 0 "[ . 1]"
1 16 THR 5.787 0.329 6 0 "[ . 1]"
1 17 THR 2.157 0.202 5 0 "[ . 1]"
1 18 THR 2.854 0.267 5 0 "[ . 1]"
1 19 GLU 1.458 0.190 8 0 "[ . 1]"
1 20 ALA 2.393 0.187 8 0 "[ . 1]"
1 21 VAL 6.604 0.363 9 0 "[ . 1]"
1 22 ASP 6.687 0.410 6 0 "[ . 1]"
1 23 ALA 1.132 0.154 9 0 "[ . 1]"
1 24 ALA 3.595 0.291 6 0 "[ . 1]"
1 25 THR 9.197 0.349 2 0 "[ . 1]"
1 26 ALA 2.962 0.187 8 0 "[ . 1]"
1 27 GLU 9.900 0.365 2 0 "[ . 1]"
1 28 LYS 4.441 0.365 2 0 "[ . 1]"
1 29 VAL 0.303 0.035 9 0 "[ . 1]"
1 30 PHE 1.243 0.125 8 0 "[ . 1]"
1 31 LYS 9.133 0.434 3 0 "[ . 1]"
1 32 GLN 2.341 0.321 4 0 "[ . 1]"
1 33 TYR 1.962 0.150 3 0 "[ . 1]"
1 34 ALA 1.844 0.100 6 0 "[ . 1]"
1 35 ASN 3.932 0.282 4 0 "[ . 1]"
1 36 ASP 4.638 0.416 1 0 "[ . 1]"
1 37 ASN 4.912 0.400 1 0 "[ . 1]"
1 38 GLY 1.560 0.135 5 0 "[ . 1]"
1 39 VAL 6.590 0.400 1 0 "[ . 1]"
1 40 ASP 0.952 0.085 1 0 "[ . 1]"
1 41 GLY 6.000 0.236 7 0 "[ . 1]"
1 42 GLU 3.986 0.321 3 0 "[ . 1]"
1 43 TRP 18.561 0.442 7 0 "[ . 1]"
1 44 THR 6.642 0.338 9 0 "[ . 1]"
1 45 TYR 4.482 0.259 10 0 "[ . 1]"
1 46 ASP 9.432 0.323 10 0 "[ . 1]"
1 47 ASP 11.472 0.323 10 0 "[ . 1]"
1 48 ALA 4.459 0.203 6 0 "[ . 1]"
1 49 THR 4.104 0.312 2 0 "[ . 1]"
1 50 LYS 7.770 0.312 2 0 "[ . 1]"
1 51 THR 3.946 0.173 10 0 "[ . 1]"
1 52 PHE 8.793 0.361 8 0 "[ . 1]"
1 53 THR 13.787 0.338 9 0 "[ . 1]"
1 54 VAL 19.261 0.442 7 0 "[ . 1]"
1 55 THR 8.025 0.353 9 0 "[ . 1]"
1 56 GLU 13.591 0.315 6 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 ALA CA 1 25 THR N 2.900 2.700 2.900 2.424 2.409 2.437 0.291 6 0 "[ . 1]" 5
2 1 26 ALA CA 1 27 GLU N . 2.350 2.670 2.446 2.439 2.452 . 0 0 "[ . 1]" 5
3 1 22 ASP CA 1 23 ALA N 2.600 2.420 2.660 2.424 2.418 2.434 0.002 10 0 "[ . 1]" 5
4 1 36 ASP CA 1 37 ASN N . 2.330 2.690 2.433 2.409 2.449 . 0 0 "[ . 1]" 5
5 1 40 ASP CA 1 41 GLY N 2.620 2.520 2.690 2.447 2.435 2.455 0.085 1 0 "[ . 1]" 5
6 1 46 ASP CA 1 47 ASP N . 2.570 2.710 2.437 2.433 2.441 0.137 6 0 "[ . 1]" 5
7 1 47 ASP CA 1 48 ALA N . 2.630 2.830 2.433 2.427 2.437 0.203 6 0 "[ . 1]" 5
8 1 15 GLU CA 1 16 THR N 2.620 2.500 2.770 2.421 2.414 2.432 0.086 4 0 "[ . 1]" 5
9 1 27 GLU CA 1 28 LYS N 2.530 2.400 2.590 2.428 2.422 2.433 . 0 0 "[ . 1]" 5
10 1 42 GLU CA 1 43 TRP N 2.610 2.410 2.810 2.406 2.397 2.416 0.013 2 0 "[ . 1]" 5
11 1 14 GLY CA 1 15 GLU N . 2.590 2.760 2.429 2.418 2.439 0.172 8 0 "[ . 1]" 5
12 1 38 GLY CA 1 39 VAL N 2.530 2.500 2.650 2.465 2.444 2.494 0.056 7 0 "[ . 1]" 5
13 1 41 GLY CA 1 42 GLU N 2.680 2.540 2.730 2.414 2.404 2.428 0.136 2 0 "[ . 1]" 5
14 1 9 GLY CA 1 10 LYS N 2.480 2.410 2.580 2.400 2.390 2.412 0.020 9 0 "[ . 1]" 5
15 1 6 ILE CA 1 7 LEU N 2.210 2.110 2.310 2.406 2.392 2.447 0.137 10 0 "[ . 1]" 5
16 1 10 LYS CA 1 11 THR N 2.470 2.420 2.570 2.428 2.422 2.435 . 0 0 "[ . 1]" 5
17 1 13 LYS CA 1 14 GLY N 2.510 2.440 2.610 2.423 2.401 2.447 0.039 8 0 "[ . 1]" 5
18 1 28 LYS CA 1 29 VAL N 2.290 2.290 2.390 2.419 2.410 2.425 0.035 9 0 "[ . 1]" 5
19 1 11 THR N 1 12 LEU CA 5.070 3.130 7.010 4.136 4.109 4.153 . 0 0 "[ . 1]" 5
20 1 7 LEU CA 1 14 GLY N 4.500 . 8.000 4.358 4.063 4.979 . 0 0 "[ . 1]" 5
21 1 7 LEU CA 1 9 GLY N 4.500 . 8.000 4.577 4.515 4.610 . 0 0 "[ . 1]" 5
22 1 7 LEU CA 1 8 ASN N 2.560 2.460 2.660 2.399 2.388 2.416 0.072 6 0 "[ . 1]" 5
23 1 7 LEU CA 1 54 VAL N 3.850 2.990 4.710 4.769 4.346 4.916 0.206 8 0 "[ . 1]" 5
24 1 34 ALA N 1 35 ASN CA 3.570 2.990 4.150 4.198 4.183 4.220 0.070 2 0 "[ . 1]" 5
25 1 35 ASN CA 1 36 ASP N 2.590 2.500 2.700 2.415 2.385 2.447 0.115 2 0 "[ . 1]" 5
26 1 37 ASN CA 1 38 GLY N 2.740 2.560 2.800 2.440 2.425 2.456 0.135 5 0 "[ . 1]" 5
27 1 8 ASN CA 1 9 GLY N 2.550 2.420 2.630 2.427 2.408 2.443 0.012 10 0 "[ . 1]" 5
28 1 11 THR CA 1 12 LEU N 2.580 2.460 2.660 2.442 2.431 2.446 0.029 7 0 "[ . 1]" 5
29 1 18 THR CA 1 19 GLU N 2.640 2.490 2.730 2.427 2.424 2.432 0.066 1 0 "[ . 1]" 5
30 1 25 THR CA 1 26 ALA N . 2.520 2.680 2.429 2.426 2.432 0.094 5 0 "[ . 1]" 5
31 1 44 THR CA 1 45 TYR N . 2.490 2.690 2.446 2.441 2.456 0.049 9 0 "[ . 1]" 5
32 1 51 THR CA 1 52 PHE N 2.710 2.550 2.740 2.445 2.440 2.450 0.110 10 0 "[ . 1]" 5
33 1 55 THR CA 1 56 GLU N 2.660 2.500 2.790 2.419 2.412 2.431 0.088 6 0 "[ . 1]" 5
34 1 39 VAL CA 1 40 ASP N 2.350 2.240 2.460 2.428 2.408 2.449 . 0 0 "[ . 1]" 5
35 1 54 VAL CA 1 55 THR N 2.660 2.510 2.810 2.408 2.396 2.417 0.114 3 0 "[ . 1]" 5
36 1 20 ALA CB 1 20 ALA N 2.460 2.360 2.560 2.454 2.443 2.466 . 0 0 "[ . 1]" 5
37 1 20 ALA CB 1 26 ALA N 4.430 3.630 4.530 3.510 3.443 3.547 0.187 8 0 "[ . 1]" 5
38 1 1 MET N 1 20 ALA CB 6.160 2.830 9.490 6.226 5.815 7.266 . 0 0 "[ . 1]" 5
39 1 20 ALA CB 1 21 VAL N 3.270 3.170 3.350 3.077 3.052 3.097 0.118 5 0 "[ . 1]" 5
40 1 23 ALA CB 1 23 ALA N . 2.340 2.440 2.443 2.426 2.448 0.008 3 0 "[ . 1]" 5
41 1 23 ALA CB 1 50 LYS NZ 6.580 3.770 9.390 6.240 5.888 7.741 . 0 0 "[ . 1]" 5
42 1 24 ALA CB 1 28 LYS NZ 4.500 . 8.000 5.506 5.364 5.603 . 0 0 "[ . 1]" 5
43 1 24 ALA CB 1 25 THR N . 3.290 3.490 3.207 3.177 3.233 0.113 6 0 "[ . 1]" 5
44 1 23 ALA N 1 26 ALA CB 6.010 3.910 8.110 4.938 4.894 4.985 . 0 0 "[ . 1]" 5
45 1 26 ALA CB 1 26 ALA N 2.460 2.360 2.550 2.447 2.441 2.457 . 0 0 "[ . 1]" 5
46 1 26 ALA CB 1 27 GLU N 3.340 3.240 3.440 3.208 3.195 3.229 0.045 2 0 "[ . 1]" 5
47 1 26 ALA CB 1 28 LYS N 4.500 4.300 6.260 5.726 5.702 5.748 . 0 0 "[ . 1]" 5
48 1 34 ALA CB 1 34 ALA N 2.440 2.340 2.520 2.432 2.419 2.441 . 0 0 "[ . 1]" 5
49 1 34 ALA CB 1 41 GLY N 5.300 3.510 7.090 6.890 6.483 7.160 0.070 1 0 "[ . 1]" 5
50 1 34 ALA CB 1 35 ASN N 3.290 3.220 3.390 3.151 3.120 3.185 0.100 6 0 "[ . 1]" 5
51 1 34 ALA CB 1 39 VAL N 4.460 3.600 5.320 4.811 4.681 4.928 . 0 0 "[ . 1]" 5
52 1 34 ALA CB 1 43 TRP NE1 5.900 2.700 9.100 5.302 5.174 5.366 . 0 0 "[ . 1]" 5
53 1 48 ALA CB 1 48 ALA N 2.500 2.400 2.550 2.439 2.429 2.445 . 0 0 "[ . 1]" 5
54 1 47 ASP N 1 48 ALA CB 5.360 4.310 6.410 4.862 4.844 4.897 . 0 0 "[ . 1]" 5
55 1 48 ALA CB 1 50 LYS NZ 6.830 5.970 7.690 7.764 7.709 7.864 0.174 8 0 "[ . 1]" 5
56 1 48 ALA CB 1 49 THR N 3.390 3.280 3.480 3.295 3.274 3.308 0.006 8 0 "[ . 1]" 5
57 1 36 ASP CB 1 37 ASN N 3.380 3.360 3.560 3.358 3.300 3.422 0.060 10 0 "[ . 1]" 5
58 1 36 ASP CB 1 37 ASN ND2 5.050 3.230 6.870 5.755 5.601 5.855 . 0 0 "[ . 1]" 5
59 1 40 ASP CB 1 41 GLY N 3.600 3.430 3.770 3.570 3.561 3.584 . 0 0 "[ . 1]" 5
60 1 47 ASP CB 1 48 ALA N 3.700 3.200 4.200 3.309 3.267 3.333 . 0 0 "[ . 1]" 5
61 1 27 GLU CB 1 28 LYS N . 3.100 3.250 3.142 3.136 3.158 . 0 0 "[ . 1]" 5
62 1 41 GLY N 1 56 GLU CB 4.240 4.040 4.440 4.620 4.555 4.676 0.236 7 0 "[ . 1]" 5
63 1 9 GLY N 1 56 GLU CB 4.720 2.470 6.970 5.359 5.168 5.576 . 0 0 "[ . 1]" 5
64 1 30 PHE CB 1 31 LYS N 3.060 2.960 3.160 3.099 3.084 3.127 . 0 0 "[ . 1]" 5
65 1 9 GLY N 1 10 LYS CB 4.500 . 8.000 6.001 5.956 6.039 . 0 0 "[ . 1]" 5
66 1 10 LYS CB 1 11 THR N 3.310 3.270 3.410 3.288 3.278 3.301 . 0 0 "[ . 1]" 5
67 1 13 LYS CB 1 14 GLY N 3.370 3.270 3.470 3.182 3.143 3.241 0.127 3 0 "[ . 1]" 5
68 1 28 LYS CB 1 29 VAL N 3.170 3.050 3.290 3.246 3.224 3.256 . 0 0 "[ . 1]" 5
69 1 31 LYS CB 1 32 GLN N 3.120 3.020 3.220 3.183 3.143 3.212 . 0 0 "[ . 1]" 5
70 1 4 LYS CB 1 5 LEU N . 3.220 3.460 3.284 3.267 3.310 . 0 0 "[ . 1]" 5
71 1 50 LYS CB 1 50 LYS NZ 4.500 4.130 5.190 4.879 4.509 4.936 . 0 0 "[ . 1]" 5
72 1 49 THR N 1 50 LYS CB 5.280 3.710 6.850 4.824 4.806 4.842 . 0 0 "[ . 1]" 5
73 1 50 LYS CB 1 51 THR N 4.240 3.560 4.920 3.697 3.691 3.705 . 0 0 "[ . 1]" 5
74 1 1 MET CB 1 2 GLN N 3.320 3.220 3.420 3.377 3.345 3.538 0.118 5 0 "[ . 1]" 5
75 1 35 ASN CB 1 36 ASP N 3.020 3.020 3.120 3.113 3.071 3.143 0.023 1 0 "[ . 1]" 5
76 1 37 ASN CB 1 38 GLY N 4.500 2.280 5.480 3.573 3.547 3.611 . 0 0 "[ . 1]" 5
77 1 11 THR CB 1 12 LEU N . 3.480 3.680 3.328 3.308 3.344 0.172 7 0 "[ . 1]" 5
78 1 18 THR CB 1 19 GLU N 3.300 3.200 3.360 3.201 3.190 3.211 0.010 2 0 "[ . 1]" 5
79 1 25 THR CB 1 26 ALA N 3.150 3.050 3.520 3.021 3.010 3.039 0.040 4 0 "[ . 1]" 5
80 1 44 THR CB 1 45 TYR N 3.220 3.210 3.320 3.172 3.161 3.186 0.049 10 0 "[ . 1]" 5
81 1 49 THR CB 1 50 LYS N 3.810 3.740 3.940 3.438 3.428 3.450 0.312 2 0 "[ . 1]" 5
82 1 49 THR CB 1 51 THR N 5.230 4.250 5.370 4.401 4.364 4.446 . 0 0 "[ . 1]" 5
83 1 46 ASP N 1 51 THR CB 4.890 3.890 5.890 5.515 5.446 5.586 . 0 0 "[ . 1]" 5
84 1 51 THR CB 1 52 PHE N 3.680 3.580 3.780 3.416 3.407 3.436 0.173 10 0 "[ . 1]" 5
85 1 50 LYS N 1 51 THR CB 5.160 4.720 6.300 4.632 4.614 4.648 0.106 1 0 "[ . 1]" 5
86 1 55 THR CB 1 56 GLU N 3.670 3.570 3.760 3.440 3.418 3.454 0.152 3 0 "[ . 1]" 5
87 1 8 ASN N 1 55 THR CB 4.500 . 8.000 5.098 4.813 5.291 . 0 0 "[ . 1]" 5
88 1 8 ASN ND2 1 55 THR CB 5.280 2.990 7.570 4.342 3.857 4.693 . 0 0 "[ . 1]" 5
89 1 43 TRP CB 1 44 THR N 2.810 2.710 2.910 3.181 3.150 3.208 0.298 8 0 "[ . 1]" 5
90 1 33 TYR CB 1 34 ALA N 3.440 2.800 4.080 3.075 3.057 3.107 . 0 0 "[ . 1]" 5
91 1 30 PHE N 1 33 TYR CB 3.820 3.540 5.100 4.890 4.787 5.050 . 0 0 "[ . 1]" 5
92 1 26 ALA N 1 27 GLU CD . 6.110 6.310 6.296 6.249 6.369 0.059 8 0 "[ . 1]" 5
93 1 27 GLU CD 1 27 GLU N . 4.840 5.040 4.534 4.517 4.583 0.323 7 0 "[ . 1]" 5
94 1 56 GLU CD 1 56 GLU N 4.500 . 8.000 4.142 4.125 4.159 . 0 0 "[ . 1]" 5
95 1 10 LYS N 1 56 GLU CD . 3.470 3.730 3.962 3.848 4.045 0.315 6 0 "[ . 1]" 5
96 1 6 ILE CD1 1 15 GLU N 5.670 5.510 5.830 5.951 5.848 6.073 0.243 7 0 "[ . 1]" 5
97 1 6 ILE CD1 1 14 GLY N 6.340 5.320 7.990 7.764 7.632 8.111 0.121 7 0 "[ . 1]" 5
98 1 4 LYS NZ 1 6 ILE CD1 . 4.610 4.750 4.625 4.547 4.768 0.063 10 0 "[ . 1]" 5
99 1 6 ILE CD1 1 16 THR N 5.740 5.580 5.900 5.884 5.577 6.062 0.162 4 0 "[ . 1]" 5
100 1 6 ILE CD1 1 54 VAL N 6.790 5.130 8.460 7.726 7.648 7.817 . 0 0 "[ . 1]" 5
101 1 6 ILE CD1 1 52 PHE N 5.430 5.010 6.290 6.218 5.708 6.378 0.088 6 0 "[ . 1]" 5
102 1 6 ILE CD1 1 6 ILE N 3.390 3.290 3.490 3.320 2.954 3.441 0.336 10 0 "[ . 1]" 5
103 1 6 ILE CD1 1 7 LEU N 4.500 . 8.000 4.924 4.842 5.239 . 0 0 "[ . 1]" 5
104 1 6 ILE CD1 1 53 THR N 5.100 3.500 6.700 6.659 6.377 6.771 0.071 8 0 "[ . 1]" 5
105 1 10 LYS CD 1 56 GLU N 5.710 4.200 7.220 6.458 6.375 6.522 . 0 0 "[ . 1]" 5
106 1 10 LYS CD 1 11 THR N 5.580 4.590 7.030 4.667 4.634 4.713 . 0 0 "[ . 1]" 5
107 1 13 LYS CD 1 13 LYS N . 4.250 4.270 4.354 3.932 4.728 0.458 7 0 "[ . 1]" 5
108 1 28 LYS CD 1 28 LYS N . 4.480 4.610 4.420 4.395 4.449 0.085 8 0 "[ . 1]" 5
109 1 28 LYS CD 1 29 VAL N 6.840 4.000 9.680 5.736 5.705 5.752 . 0 0 "[ . 1]" 5
110 1 4 LYS CD 1 4 LYS N 4.870 4.770 4.970 4.920 4.881 4.954 . 0 0 "[ . 1]" 5
111 1 4 LYS CD 1 5 LEU N 5.110 5.010 5.210 4.771 4.664 4.925 0.346 6 0 "[ . 1]" 5
112 1 50 LYS CD 1 50 LYS N 3.320 3.300 3.420 3.383 3.321 3.403 . 0 0 "[ . 1]" 5
113 1 49 THR N 1 50 LYS CD 4.500 . 8.000 4.979 4.811 5.019 . 0 0 "[ . 1]" 5
114 1 12 LEU CD1 1 38 GLY N 4.310 2.310 6.310 6.236 6.151 6.325 0.015 6 0 "[ . 1]" 5
115 1 12 LEU CD1 1 37 ASN ND2 3.060 2.060 4.060 4.103 4.014 4.183 0.123 2 0 "[ . 1]" 5
116 1 9 GLY N 1 12 LEU CD2 5.650 4.180 7.120 5.385 5.258 5.465 . 0 0 "[ . 1]" 5
117 1 12 LEU CD2 1 14 GLY N 5.170 4.340 6.000 4.848 4.714 5.143 . 0 0 "[ . 1]" 5
118 1 12 LEU CD2 1 13 LYS N 3.440 3.330 3.530 3.311 3.211 3.609 0.119 10 0 "[ . 1]" 5
119 1 12 LEU CD2 1 37 ASN ND2 5.680 4.140 7.220 5.846 5.619 6.132 . 0 0 "[ . 1]" 5
120 1 5 LEU CD2 1 52 PHE N 4.870 4.770 4.970 5.266 5.010 5.331 0.361 8 0 "[ . 1]" 5
121 1 5 LEU CD2 1 6 ILE N 3.290 . 4.890 2.863 2.797 3.182 . 0 0 "[ . 1]" 5
122 1 5 LEU CD2 1 16 THR N 5.360 3.760 6.960 5.921 5.768 6.533 . 0 0 "[ . 1]" 5
123 1 5 LEU CD2 1 53 THR N . 3.600 3.800 4.036 3.892 4.108 0.308 8 0 "[ . 1]" 5
124 1 5 LEU CD2 1 54 VAL N 3.770 3.670 3.770 4.047 4.007 4.127 0.357 6 0 "[ . 1]" 5
125 1 7 LEU CD1 1 15 GLU N 3.980 3.420 5.580 3.971 3.763 4.821 . 0 0 "[ . 1]" 5
126 1 7 LEU CD1 1 7 LEU N 3.280 . 4.880 3.705 2.587 4.051 . 0 0 "[ . 1]" 5
127 1 7 LEU CD1 1 8 ASN N 4.790 . 9.520 5.826 5.407 5.939 . 0 0 "[ . 1]" 5
128 1 7 LEU CD2 1 15 GLU N 4.760 3.760 5.760 5.535 3.528 6.044 0.284 4 0 "[ . 1]" 5
129 1 7 LEU CD2 1 14 GLY N 5.080 3.440 6.720 5.193 2.956 5.803 0.484 10 0 "[ . 1]" 5
130 1 7 LEU CD2 1 9 GLY N 4.500 . 8.000 5.834 5.445 6.095 . 0 0 "[ . 1]" 5
131 1 7 LEU CD2 1 13 LYS N 4.790 3.790 5.790 5.725 4.304 6.158 0.368 2 0 "[ . 1]" 5
132 1 7 LEU CD2 1 13 LYS NZ 6.730 5.730 7.730 7.919 7.468 8.061 0.331 4 0 "[ . 1]" 5
133 1 7 LEU CD2 1 7 LEU N 3.500 3.410 3.600 3.696 3.109 3.898 0.301 10 0 "[ . 1]" 5
134 1 7 LEU CD2 1 8 ASN N 4.610 4.510 4.710 4.846 4.583 5.004 0.294 6 0 "[ . 1]" 5
135 1 28 LYS CE 1 28 LYS N 5.450 3.860 7.400 4.673 4.616 4.703 . 0 0 "[ . 1]" 5
136 1 1 MET CE 1 23 ALA N 4.200 3.160 6.300 6.406 6.279 6.454 0.154 9 0 "[ . 1]" 5
137 1 1 MET CE 1 50 LYS NZ 3.830 3.730 3.930 4.111 3.891 4.210 0.280 8 0 "[ . 1]" 5
138 1 1 MET CE 1 21 VAL N 5.000 3.900 8.100 7.123 6.913 7.189 . 0 0 "[ . 1]" 5
139 1 1 MET CE 1 22 ASP N 5.350 4.510 6.190 6.532 6.290 6.600 0.410 6 0 "[ . 1]" 5
140 1 1 MET CE 1 1 MET N 3.770 2.170 5.370 5.045 4.995 5.248 . 0 0 "[ . 1]" 5
141 1 1 MET CE 1 2 GLN N 4.200 3.160 5.240 3.090 2.932 3.124 0.228 5 0 "[ . 1]" 5
142 1 1 MET CE 1 3 TYR N 5.420 3.970 6.870 4.068 3.907 4.122 0.063 5 0 "[ . 1]" 5
143 1 40 ASP CG 1 40 ASP N 2.820 2.690 4.420 3.790 3.780 3.809 . 0 0 "[ . 1]" 5
144 1 46 ASP CG 1 47 ASP N . 3.140 3.340 3.501 3.478 3.524 0.184 7 0 "[ . 1]" 5
145 1 46 ASP CG 1 49 THR N 3.770 3.570 3.770 3.583 3.550 3.622 0.020 1 0 "[ . 1]" 5
146 1 15 GLU CG 1 16 THR N 2.610 . 4.300 4.458 4.351 4.629 0.329 6 0 "[ . 1]" 5
147 1 26 ALA N 1 27 GLU CG 5.360 5.260 5.460 5.248 5.218 5.313 0.042 5 0 "[ . 1]" 5
148 1 27 GLU CG 1 28 LYS N 3.280 3.170 3.390 2.822 2.805 2.846 0.365 2 0 "[ . 1]" 5
149 1 27 GLU CG 1 31 LYS NZ 3.670 3.570 3.770 3.848 3.774 3.957 0.187 9 0 "[ . 1]" 5
150 1 27 GLU CG 1 27 GLU N 3.300 3.200 3.400 3.264 3.238 3.315 . 0 0 "[ . 1]" 5
151 1 27 GLU CG 1 31 LYS N 4.190 2.590 6.790 6.876 6.805 6.925 0.135 3 0 "[ . 1]" 5
152 1 42 GLU CG 1 42 GLU N 2.560 2.440 2.680 2.948 2.908 3.001 0.321 3 0 "[ . 1]" 5
153 1 56 GLU CG 1 56 GLU N 2.500 2.400 2.600 2.717 2.706 2.733 0.133 9 0 "[ . 1]" 5
154 1 6 ILE CG1 1 6 ILE N 2.760 2.660 2.860 2.962 2.858 3.283 0.423 7 0 "[ . 1]" 5
155 1 6 ILE CG1 1 7 LEU N 4.350 4.080 4.620 4.653 4.466 4.765 0.145 6 0 "[ . 1]" 5
156 1 6 ILE CG1 1 53 THR N 5.400 4.280 6.520 5.553 5.293 6.411 . 0 0 "[ . 1]" 5
157 1 6 ILE CG2 1 15 GLU N 5.570 3.920 7.220 6.400 6.273 6.694 . 0 0 "[ . 1]" 5
158 1 6 ILE CG2 1 9 GLY N 4.500 . 8.000 7.929 7.673 8.039 0.039 9 0 "[ . 1]" 5
159 1 6 ILE CG2 1 7 LEU N . 3.440 3.640 3.367 3.302 3.526 0.138 7 0 "[ . 1]" 5
160 1 6 ILE CG2 1 16 THR N 5.640 3.710 7.570 7.456 7.230 7.692 0.122 7 0 "[ . 1]" 5
161 1 6 ILE CG2 1 52 PHE N 5.560 2.780 8.340 7.360 7.217 7.527 . 0 0 "[ . 1]" 5
162 1 6 ILE CG2 1 6 ILE N . 3.670 4.270 3.807 3.782 3.818 . 0 0 "[ . 1]" 5
163 1 6 ILE CG2 1 8 ASN N 4.670 4.430 4.910 5.125 4.900 5.232 0.322 9 0 "[ . 1]" 5
164 1 6 ILE CG2 1 53 THR N 4.500 . 8.000 6.108 5.771 6.356 . 0 0 "[ . 1]" 5
165 1 6 ILE CG2 1 14 GLY N 5.460 4.000 6.920 6.594 6.465 6.828 . 0 0 "[ . 1]" 5
166 1 4 LYS NZ 1 6 ILE CG2 7.300 . 13.030 7.481 7.271 7.894 . 0 0 "[ . 1]" 5
167 1 6 ILE CG2 1 8 ASN ND2 5.570 3.920 7.220 6.341 4.224 7.233 0.013 4 0 "[ . 1]" 5
168 1 10 LYS CG 1 10 LYS N 2.870 2.770 2.970 2.874 2.854 2.904 . 0 0 "[ . 1]" 5
169 1 10 LYS CG 1 10 LYS NZ 3.890 3.790 3.990 3.812 3.808 3.814 . 0 0 "[ . 1]" 5
170 1 10 LYS CG 1 11 THR N 4.250 3.050 5.450 3.205 3.163 3.245 . 0 0 "[ . 1]" 5
171 1 13 LYS CG 1 14 GLY N . 3.500 5.700 3.990 3.445 4.212 0.055 2 0 "[ . 1]" 5
172 1 9 GLY N 1 13 LYS CG 4.270 2.170 6.370 3.992 3.533 5.532 . 0 0 "[ . 1]" 5
173 1 13 LYS CG 1 13 LYS N . 3.120 3.320 3.342 2.924 3.702 0.382 2 0 "[ . 1]" 5
174 1 28 LYS CG 1 28 LYS N . 2.860 3.420 3.074 3.037 3.123 . 0 0 "[ . 1]" 5
175 1 4 LYS CG 1 5 LEU N 3.430 3.330 3.530 3.320 3.202 3.507 0.128 6 0 "[ . 1]" 5
176 1 4 LYS CG 1 16 THR N 4.420 4.140 4.700 4.955 4.808 5.015 0.315 1 0 "[ . 1]" 5
177 1 4 LYS CG 1 51 THR N 5.300 2.970 7.630 6.736 6.493 7.046 . 0 0 "[ . 1]" 5
178 1 50 LYS CG 1 50 LYS N 2.700 2.410 2.990 2.827 2.778 2.860 . 0 0 "[ . 1]" 5
179 1 50 LYS CG 1 50 LYS NZ 3.740 3.470 4.010 3.748 3.203 3.813 0.267 1 0 "[ . 1]" 5
180 1 12 LEU CG 1 13 LYS N 3.080 . 4.680 3.522 3.425 3.653 . 0 0 "[ . 1]" 5
181 1 1 MET CG 1 1 MET N 3.610 3.540 3.940 3.706 3.679 3.791 . 0 0 "[ . 1]" 5
182 1 1 MET CG 1 2 GLN N 3.010 2.010 3.860 3.753 3.582 3.986 0.126 5 0 "[ . 1]" 5
183 1 1 MET CG 1 21 VAL N 4.500 . 8.000 6.671 6.335 6.848 . 0 0 "[ . 1]" 5
184 1 1 MET CG 1 3 TYR N 4.820 3.410 6.230 6.306 6.100 6.411 0.181 5 0 "[ . 1]" 5
185 1 35 ASN CG 1 35 ASN N 3.530 3.430 3.630 3.663 3.148 3.803 0.282 4 0 "[ . 1]" 5
186 1 2 GLN CG 1 2 GLN N 3.120 2.020 4.220 3.635 2.999 3.771 . 0 0 "[ . 1]" 5
187 1 11 THR CG2 1 12 LEU N . 4.730 4.780 4.724 4.689 4.734 0.041 3 0 "[ . 1]" 5
188 1 5 LEU N 1 16 THR CG2 . 4.920 5.440 5.189 5.074 5.263 . 0 0 "[ . 1]" 5
189 1 16 THR CG2 1 16 THR N . 3.300 3.760 3.735 3.714 3.774 0.014 6 0 "[ . 1]" 5
190 1 17 THR CG2 1 17 THR N . 3.070 3.270 3.019 2.885 3.196 0.185 10 0 "[ . 1]" 5
191 1 25 THR CG2 1 25 THR N . 3.410 3.610 3.440 3.135 3.738 0.275 10 0 "[ . 1]" 5
192 1 44 THR CG2 1 44 THR N 2.710 2.600 2.820 2.667 2.648 2.679 . 0 0 "[ . 1]" 5
193 1 49 THR CG2 1 50 LYS N 5.160 4.910 6.040 4.808 4.794 4.835 0.116 8 0 "[ . 1]" 5
194 1 49 THR CG2 1 51 THR N 5.120 4.220 6.020 5.922 5.886 5.968 . 0 0 "[ . 1]" 5
195 1 51 THR CG2 1 52 PHE N . 3.270 3.330 3.338 3.325 3.382 0.052 9 0 "[ . 1]" 5
196 1 4 LYS N 1 51 THR CG2 5.150 5.070 5.550 5.513 5.445 5.629 0.079 8 0 "[ . 1]" 5
197 1 6 ILE N 1 53 THR CG2 3.540 . 4.990 4.705 4.642 4.819 . 0 0 "[ . 1]" 5
198 1 53 THR CG2 1 53 THR N . 3.000 3.070 2.748 2.721 2.772 0.279 6 0 "[ . 1]" 5
199 1 55 THR CG2 1 56 GLU N . 3.370 3.410 3.432 3.380 3.496 0.086 7 0 "[ . 1]" 5
200 1 8 ASN ND2 1 55 THR CG2 3.800 3.700 3.900 3.908 3.646 4.253 0.353 9 0 "[ . 1]" 5
201 1 55 THR CG2 1 55 THR N . 3.360 3.560 3.762 3.751 3.781 0.221 7 0 "[ . 1]" 5
202 1 21 VAL CG1 1 22 ASP N 2.930 2.770 3.090 3.009 2.883 3.167 0.077 2 0 "[ . 1]" 5
203 1 21 VAL CG1 1 21 VAL N 2.610 2.420 2.800 2.799 2.705 2.860 0.060 8 0 "[ . 1]" 5
204 1 21 VAL CG2 1 22 ASP N 3.020 2.730 3.310 3.583 3.476 3.673 0.363 9 0 "[ . 1]" 5
205 1 21 VAL CG2 1 21 VAL N 2.810 . 4.630 3.771 3.763 3.777 . 0 0 "[ . 1]" 5
206 1 29 VAL CG1 1 30 PHE N 2.810 . 3.810 3.627 3.617 3.649 . 0 0 "[ . 1]" 5
207 1 28 LYS N 1 29 VAL CG1 4.670 2.930 6.410 6.300 6.266 6.326 . 0 0 "[ . 1]" 5
208 1 29 VAL CG1 1 29 VAL N 2.960 . 4.560 3.791 3.784 3.798 . 0 0 "[ . 1]" 5
209 1 27 GLU N 1 29 VAL CG2 5.390 3.340 7.440 5.554 5.498 5.621 . 0 0 "[ . 1]" 5
210 1 29 VAL CG2 1 30 PHE N 4.290 4.030 4.550 4.543 4.531 4.559 0.009 2 0 "[ . 1]" 5
211 1 28 LYS N 1 29 VAL CG2 5.280 3.420 7.140 5.116 5.069 5.144 . 0 0 "[ . 1]" 5
212 1 29 VAL CG2 1 29 VAL N 2.690 . 4.290 2.968 2.955 2.980 . 0 0 "[ . 1]" 5
213 1 39 VAL CG1 1 40 ASP N 4.500 2.210 5.410 3.423 3.310 3.509 . 0 0 "[ . 1]" 5
214 1 12 LEU N 1 39 VAL CG1 6.090 5.700 6.480 6.028 5.790 6.423 . 0 0 "[ . 1]" 5
215 1 11 THR N 1 39 VAL CG1 6.800 6.420 7.180 6.939 6.659 7.249 0.069 9 0 "[ . 1]" 5
216 1 39 VAL CG1 1 39 VAL N 2.810 2.770 3.450 3.776 3.756 3.826 0.376 9 0 "[ . 1]" 5
217 1 37 ASN N 1 39 VAL CG1 5.640 4.250 7.030 7.317 7.188 7.430 0.400 1 0 "[ . 1]" 5
218 1 41 GLY N 1 54 VAL CG1 6.130 3.280 8.980 6.191 5.912 6.364 . 0 0 "[ . 1]" 5
219 1 9 GLY N 1 54 VAL CG1 5.760 4.730 6.790 5.849 5.777 5.965 . 0 0 "[ . 1]" 5
220 1 6 ILE N 1 54 VAL CG1 5.890 3.870 7.910 6.138 6.067 6.170 . 0 0 "[ . 1]" 5
221 1 7 LEU N 1 54 VAL CG1 4.870 4.170 5.570 5.057 4.638 5.205 . 0 0 "[ . 1]" 5
222 1 53 THR N 1 54 VAL CG1 6.130 3.690 8.570 5.932 5.902 5.962 . 0 0 "[ . 1]" 5
223 1 54 VAL CG1 1 55 THR N 4.150 4.100 4.250 4.001 3.972 4.024 0.128 9 0 "[ . 1]" 5
224 1 54 VAL CG1 1 54 VAL N 3.040 2.920 3.160 2.954 2.941 2.970 . 0 0 "[ . 1]" 5
225 1 43 TRP N 1 54 VAL CG1 4.640 3.300 6.500 6.900 6.856 6.942 0.442 7 0 "[ . 1]" 5
226 1 43 TRP NE1 1 54 VAL CG1 5.000 4.150 5.850 4.919 4.854 4.976 . 0 0 "[ . 1]" 5
227 1 34 ALA N 1 54 VAL CG1 4.500 . 8.000 6.760 6.599 6.835 . 0 0 "[ . 1]" 5
228 1 54 VAL CG1 1 56 GLU N 6.130 3.280 8.980 6.163 6.102 6.194 . 0 0 "[ . 1]" 5
229 1 32 GLN N 1 54 VAL CG1 4.500 . 9.000 9.230 9.063 9.321 0.321 4 0 "[ . 1]" 5
230 1 41 GLY N 1 54 VAL CG2 3.050 2.950 3.930 3.974 3.715 4.106 0.176 10 0 "[ . 1]" 5
231 1 54 VAL CG2 1 54 VAL N 3.090 . 4.690 3.796 3.778 3.813 . 0 0 "[ . 1]" 5
232 1 43 TRP NE1 1 54 VAL CG2 3.210 . 4.810 2.988 2.904 3.068 . 0 0 "[ . 1]" 5
233 1 54 VAL CG2 1 55 THR N 4.500 . 8.000 3.233 3.183 3.265 . 0 0 "[ . 1]" 5
234 1 43 TRP N 1 54 VAL CG2 4.940 4.840 5.040 5.063 5.016 5.120 0.080 7 0 "[ . 1]" 5
235 1 20 ALA CA 1 22 ASP N 4.680 2.310 7.050 4.263 4.247 4.273 . 0 0 "[ . 1]" 5
236 1 1 MET N 1 20 ALA CA 4.500 . 8.000 5.089 4.662 6.104 . 0 0 "[ . 1]" 5
237 1 25 THR N 1 26 ALA CA 4.240 3.110 5.370 4.266 4.256 4.271 . 0 0 "[ . 1]" 5
238 1 47 ASP N 1 48 ALA CA 4.220 2.770 5.670 4.150 4.136 4.160 . 0 0 "[ . 1]" 5
239 1 21 VAL N 1 22 ASP CA 3.820 2.930 4.710 4.089 4.074 4.102 . 0 0 "[ . 1]" 5
240 1 46 ASP CA 1 48 ALA N 4.200 3.220 5.180 4.374 4.346 4.397 . 0 0 "[ . 1]" 5
241 1 47 ASP CA 1 49 THR N 6.010 3.260 8.760 4.291 4.274 4.306 . 0 0 "[ . 1]" 5
242 1 30 PHE CA 1 31 LYS N 2.560 2.460 2.660 2.417 2.405 2.424 0.055 8 0 "[ . 1]" 5
243 1 52 PHE CA 1 53 THR N 2.640 2.480 2.800 2.433 2.425 2.442 0.055 7 0 "[ . 1]" 5
244 1 37 ASN N 1 38 GLY CA 4.360 2.830 5.890 4.121 4.072 4.156 . 0 0 "[ . 1]" 5
245 1 40 ASP N 1 41 GLY CA 4.340 3.240 5.440 4.587 4.553 4.607 . 0 0 "[ . 1]" 5
246 1 9 GLY CA 1 13 LYS N 5.640 . 10.820 4.883 4.732 5.073 . 0 0 "[ . 1]" 5
247 1 8 ASN N 1 9 GLY CA 4.910 2.270 7.550 4.213 4.196 4.234 . 0 0 "[ . 1]" 5
248 1 9 GLY CA 1 12 LEU N 4.650 2.100 7.200 4.060 3.905 4.265 . 0 0 "[ . 1]" 5
249 1 31 LYS CA 1 32 GLN N 2.530 2.410 2.650 2.416 2.403 2.427 0.007 3 0 "[ . 1]" 5
250 1 4 LYS CA 1 5 LEU N 2.540 2.440 2.640 2.421 2.415 2.426 0.025 2 0 "[ . 1]" 5
251 1 49 THR N 1 50 LYS CA 4.950 3.650 6.250 4.093 4.080 4.107 . 0 0 "[ . 1]" 5
252 1 37 ASN CA 1 37 ASN ND2 4.290 3.090 5.490 3.717 3.693 3.735 . 0 0 "[ . 1]" 5
253 1 8 ASN CA 1 8 ASN ND2 4.050 3.150 4.950 3.689 3.620 3.723 . 0 0 "[ . 1]" 5
254 1 17 THR CA 1 18 THR N 4.500 . 8.000 2.426 2.420 2.431 . 0 0 "[ . 1]" 5
255 1 24 ALA N 1 25 THR CA 4.680 3.080 6.280 4.117 4.093 4.143 . 0 0 "[ . 1]" 5
256 1 50 LYS N 1 51 THR CA 4.630 . 7.900 4.199 4.176 4.208 . 0 0 "[ . 1]" 5
257 1 53 THR CA 1 54 VAL N 2.820 2.720 2.920 2.422 2.411 2.432 0.309 6 0 "[ . 1]" 5
258 1 33 TYR CA 1 34 ALA N 2.390 2.240 2.540 2.420 2.404 2.433 . 0 0 "[ . 1]" 5
259 1 3 TYR CA 1 4 LYS N 2.570 2.380 2.760 2.423 2.414 2.428 . 0 0 "[ . 1]" 5
260 1 2 GLN N 1 3 TYR CA 4.130 3.110 5.150 4.844 4.829 4.869 . 0 0 "[ . 1]" 5
261 1 3 TYR CA 1 18 THR N 4.500 . 8.000 5.109 5.025 5.361 . 0 0 "[ . 1]" 5
262 1 45 TYR CA 1 46 ASP N 2.560 2.420 2.700 2.413 2.405 2.418 0.015 9 0 "[ . 1]" 5
263 1 45 TYR CA 1 47 ASP N 4.500 . 8.000 5.377 5.358 5.398 . 0 0 "[ . 1]" 5
264 1 20 ALA CB 1 22 ASP N 3.920 3.820 4.020 4.047 4.031 4.054 0.034 1 0 "[ . 1]" 5
265 1 46 ASP CB 1 47 ASP N 3.900 3.800 4.000 3.493 3.477 3.502 0.323 10 0 "[ . 1]" 5
266 1 42 GLU CB 1 43 TRP N 3.410 3.120 3.700 3.313 3.301 3.323 . 0 0 "[ . 1]" 5
267 1 6 ILE CB 1 7 LEU N 3.500 3.400 3.600 3.398 3.361 3.545 0.039 3 0 "[ . 1]" 5
268 1 6 ILE CB 1 54 VAL N 5.720 4.120 7.320 5.399 5.306 5.581 . 0 0 "[ . 1]" 5
269 1 8 ASN CB 1 9 GLY N 2.910 . 4.350 3.724 3.709 3.734 . 0 0 "[ . 1]" 5
270 1 7 LEU N 1 8 ASN CB 4.500 . 8.000 5.384 5.315 5.491 . 0 0 "[ . 1]" 5
271 1 16 THR CB 1 17 THR N 3.240 3.140 3.340 3.315 3.293 3.333 . 0 0 "[ . 1]" 5
272 1 44 THR CB 1 53 THR N 4.790 4.200 5.380 5.134 5.086 5.169 . 0 0 "[ . 1]" 5
273 1 49 THR N 1 51 THR CB 5.950 4.160 7.740 5.941 5.891 5.982 . 0 0 "[ . 1]" 5
274 1 43 TRP NE1 1 54 VAL CB 4.500 . 8.000 3.794 3.716 3.870 . 0 0 "[ . 1]" 5
275 1 15 GLU CD 1 15 GLU N 3.710 3.610 3.810 3.350 3.132 4.274 0.478 10 0 "[ . 1]" 5
276 1 6 ILE N 1 15 GLU CD 5.760 5.660 5.860 6.139 5.710 6.337 0.477 1 0 "[ . 1]" 5
277 1 7 LEU N 1 15 GLU CD 5.620 5.520 5.720 5.498 5.212 5.839 0.308 5 0 "[ . 1]" 5
278 1 4 LYS NZ 1 15 GLU CD 3.710 2.110 5.310 4.751 3.479 5.378 0.068 3 0 "[ . 1]" 5
279 1 15 GLU CD 1 16 THR N 4.500 . 8.000 5.487 5.192 5.554 . 0 0 "[ . 1]" 5
280 1 19 GLU CD 1 19 GLU N 3.600 . 5.200 4.910 4.873 4.933 . 0 0 "[ . 1]" 5
281 1 1 MET N 1 19 GLU CD 4.140 3.900 4.380 4.062 3.913 4.173 . 0 0 "[ . 1]" 5
282 1 2 GLN NE2 1 19 GLU CD 5.530 5.280 5.780 5.744 5.207 5.970 0.190 8 0 "[ . 1]" 5
283 1 18 THR N 1 19 GLU CD 6.860 6.510 8.210 7.954 7.770 8.124 . 0 0 "[ . 1]" 5
284 1 3 TYR N 1 19 GLU CD 7.080 6.730 7.430 7.094 6.918 7.362 . 0 0 "[ . 1]" 5
285 1 27 GLU CD 1 28 LYS N 4.250 4.150 4.350 4.306 4.285 4.332 . 0 0 "[ . 1]" 5
286 1 27 GLU CD 1 31 LYS NZ 4.000 3.900 4.100 4.132 3.977 4.237 0.137 3 0 "[ . 1]" 5
287 1 40 ASP N 1 56 GLU CD 3.420 3.220 3.620 3.596 3.499 3.638 0.018 5 0 "[ . 1]" 5
288 1 9 GLY N 1 56 GLU CD 4.890 3.830 5.950 5.065 4.923 5.307 . 0 0 "[ . 1]" 5
289 1 10 LYS NZ 1 56 GLU CD 4.500 . 8.000 5.852 5.580 6.012 . 0 0 "[ . 1]" 5
290 1 11 THR N 1 56 GLU CD 5.450 4.460 6.440 4.916 4.760 5.017 . 0 0 "[ . 1]" 5
291 1 39 VAL N 1 56 GLU CD 4.830 4.090 5.570 5.188 4.943 5.303 . 0 0 "[ . 1]" 5
292 1 41 GLY N 1 56 GLU CD 4.500 4.200 4.800 4.896 4.834 4.974 0.174 4 0 "[ . 1]" 5
293 1 13 LYS NZ 1 56 GLU CD 7.180 . 13.860 7.299 6.983 7.912 . 0 0 "[ . 1]" 5
294 1 55 THR N 1 56 GLU CD 6.500 3.860 9.140 6.347 6.284 6.403 . 0 0 "[ . 1]" 5
295 1 4 LYS N 1 6 ILE CD1 6.890 5.060 8.720 7.119 6.482 7.363 . 0 0 "[ . 1]" 5
296 1 6 ILE CD1 1 8 ASN N 7.300 4.160 10.440 7.829 7.717 8.144 . 0 0 "[ . 1]" 5
297 1 10 LYS CD 1 10 LYS N 4.310 4.210 4.410 4.253 4.233 4.270 . 0 0 "[ . 1]" 5
298 1 27 GLU N 1 28 LYS CD 5.960 4.850 7.070 6.649 6.593 6.714 . 0 0 "[ . 1]" 5
299 1 2 GLN CD 1 2 GLN N 5.180 4.360 6.000 4.552 4.228 4.920 0.132 3 0 "[ . 1]" 5
300 1 2 GLN CD 1 18 THR N 4.500 . 8.000 5.272 4.232 6.837 . 0 0 "[ . 1]" 5
301 1 32 GLN CD 1 34 ALA N 4.500 . 8.000 7.452 6.875 7.581 . 0 0 "[ . 1]" 5
302 1 31 LYS N 1 32 GLN CD 4.500 . 8.000 7.267 7.011 7.354 . 0 0 "[ . 1]" 5
303 1 32 GLN CD 1 32 GLN N 4.500 . 8.000 4.906 4.340 4.990 . 0 0 "[ . 1]" 5
304 1 43 TRP CD1 1 43 TRP N 3.700 3.310 4.090 3.161 3.078 3.218 0.232 3 0 "[ . 1]" 5
305 1 31 LYS NZ 1 43 TRP CD2 5.280 3.900 6.660 5.372 5.185 5.531 . 0 0 "[ . 1]" 5
306 1 43 TRP CD2 1 43 TRP N 5.020 . 8.070 4.218 4.157 4.246 . 0 0 "[ . 1]" 5
307 1 10 LYS CE 1 40 ASP N 5.480 4.270 6.690 6.663 6.518 6.753 0.063 10 0 "[ . 1]" 5
308 1 10 LYS CE 1 10 LYS N 4.660 4.230 5.090 5.140 5.116 5.159 0.069 2 0 "[ . 1]" 5
309 1 9 GLY N 1 13 LYS CE 3.650 2.270 5.030 4.664 4.030 5.051 0.021 4 0 "[ . 1]" 5
310 1 10 LYS N 1 13 LYS CE 4.190 3.520 4.860 4.873 4.716 5.029 0.169 4 0 "[ . 1]" 5
311 1 11 THR N 1 13 LYS CE 4.360 3.690 6.030 5.097 4.563 6.031 0.001 7 0 "[ . 1]" 5
312 1 27 GLU N 1 28 LYS CE 6.610 . 12.470 6.324 6.228 6.402 . 0 0 "[ . 1]" 5
313 1 31 LYS N 1 43 TRP CZ2 4.490 4.240 4.740 4.570 4.284 4.819 0.079 10 0 "[ . 1]" 5
314 1 31 LYS N 1 43 TRP CZ3 3.740 3.200 4.280 4.360 4.133 4.498 0.218 6 0 "[ . 1]" 5
315 1 43 TRP CZ3 1 44 THR N 5.040 4.610 6.470 6.068 5.969 6.169 . 0 0 "[ . 1]" 5
316 1 43 TRP CZ3 1 54 VAL N 3.790 3.250 4.330 4.612 4.514 4.673 0.343 8 0 "[ . 1]" 5
317 1 31 LYS NZ 1 43 TRP CZ3 5.320 4.810 5.830 5.899 5.474 6.128 0.298 8 0 "[ . 1]" 5
318 1 43 TRP CZ3 1 53 THR N 4.060 3.400 4.720 4.934 4.880 5.031 0.311 10 0 "[ . 1]" 5
319 1 43 TRP CZ3 1 43 TRP N 5.020 3.420 6.620 6.387 6.333 6.405 . 0 0 "[ . 1]" 5
320 1 22 ASP CG 1 26 ALA N 4.500 . 8.000 5.696 5.579 5.830 . 0 0 "[ . 1]" 5
321 1 21 VAL N 1 22 ASP CG 4.500 . 8.000 5.184 5.129 5.230 . 0 0 "[ . 1]" 5
322 1 36 ASP CG 1 36 ASP N 2.560 2.460 2.660 3.010 2.963 3.076 0.416 1 0 "[ . 1]" 5
323 1 10 LYS NZ 1 40 ASP CG 5.990 . 10.980 7.865 7.598 8.178 . 0 0 "[ . 1]" 5
324 1 39 VAL N 1 40 ASP CG 6.600 6.440 6.760 6.663 6.597 6.748 . 0 0 "[ . 1]" 5
325 1 46 ASP CG 1 48 ALA N 3.420 3.320 3.520 3.694 3.666 3.722 0.202 3 0 "[ . 1]" 5
326 1 46 ASP CG 1 46 ASP N 3.530 3.340 3.720 3.791 3.786 3.798 0.078 10 0 "[ . 1]" 5
327 1 47 ASP CG 1 47 ASP N 3.760 3.250 4.270 3.343 3.039 3.786 0.211 9 0 "[ . 1]" 5
328 1 41 GLY N 1 56 GLU CG 5.410 4.010 6.810 4.016 3.960 4.058 0.050 9 0 "[ . 1]" 5
329 1 9 GLY N 1 56 GLU CG 5.070 3.730 6.410 4.850 4.717 5.008 . 0 0 "[ . 1]" 5
330 1 10 LYS N 1 56 GLU CG 3.860 3.700 4.020 4.248 4.200 4.298 0.278 10 0 "[ . 1]" 5
331 1 55 THR N 1 56 GLU CG 6.020 . 10.860 5.049 4.993 5.086 . 0 0 "[ . 1]" 5
332 1 30 PHE CG 1 34 ALA N 5.860 4.400 7.320 7.066 6.977 7.162 . 0 0 "[ . 1]" 5
333 1 27 GLU N 1 30 PHE CG 4.820 4.480 5.160 5.217 5.102 5.285 0.125 8 0 "[ . 1]" 5
334 1 30 PHE CG 1 30 PHE N 2.990 2.890 3.090 3.059 3.003 3.085 . 0 0 "[ . 1]" 5
335 1 30 PHE CG 1 31 LYS N 4.420 4.320 4.520 4.531 4.497 4.550 0.030 3 0 "[ . 1]" 5
336 1 5 LEU N 1 30 PHE CG 5.680 5.060 6.300 5.329 5.223 5.478 . 0 0 "[ . 1]" 5
337 1 52 PHE CG 1 52 PHE N 2.710 2.570 2.850 3.045 3.031 3.074 0.224 8 0 "[ . 1]" 5
338 1 46 ASP N 1 52 PHE CG 5.250 4.140 6.360 5.696 5.628 5.738 . 0 0 "[ . 1]" 5
339 1 4 LYS N 1 52 PHE CG 6.050 4.560 7.540 6.001 5.904 6.055 . 0 0 "[ . 1]" 5
340 1 45 TYR N 1 52 PHE CG 5.720 4.570 6.870 5.551 5.523 5.607 . 0 0 "[ . 1]" 5
341 1 10 LYS CG 1 56 GLU N 6.400 6.280 6.520 6.027 5.987 6.056 0.293 2 0 "[ . 1]" 5
342 1 10 LYS CG 1 12 LEU N 5.880 5.760 6.000 5.600 5.577 5.635 0.183 9 0 "[ . 1]" 5
343 1 28 LYS CG 1 29 VAL N 4.410 4.110 4.710 4.661 4.641 4.679 . 0 0 "[ . 1]" 5
344 1 31 LYS CG 1 31 LYS NZ 3.760 3.660 3.860 3.517 3.226 3.794 0.434 3 0 "[ . 1]" 5
345 1 31 LYS CG 1 43 TRP NE1 4.400 4.300 4.500 4.710 4.487 4.913 0.413 6 0 "[ . 1]" 5
346 1 49 THR N 1 50 LYS CG 4.880 3.980 5.780 4.560 4.476 4.592 . 0 0 "[ . 1]" 5
347 1 50 LYS CG 1 51 THR N 4.960 4.610 5.310 4.899 4.881 4.913 . 0 0 "[ . 1]" 5
348 1 5 LEU CG 1 5 LEU N 3.050 . 4.650 3.799 3.756 3.809 . 0 0 "[ . 1]" 5
349 1 36 ASP N 1 37 ASN CG 5.050 2.720 7.380 5.227 5.173 5.292 . 0 0 "[ . 1]" 5
350 1 37 ASN CG 1 39 VAL N 6.320 . 11.200 6.131 6.036 6.206 . 0 0 "[ . 1]" 5
351 1 32 GLN CG 1 33 TYR N 2.500 . 3.680 3.572 3.465 3.706 0.026 4 0 "[ . 1]" 5
352 1 15 GLU N 1 16 THR CG2 6.350 5.390 7.310 6.887 6.849 6.940 . 0 0 "[ . 1]" 5
353 1 16 THR CG2 1 17 THR N 3.900 2.800 5.000 3.073 3.020 3.108 . 0 0 "[ . 1]" 5
354 1 17 THR CG2 1 19 GLU N 5.450 4.450 7.450 7.054 6.483 7.504 0.054 1 0 "[ . 1]" 5
355 1 4 LYS NZ 1 17 THR CG2 6.120 6.020 6.220 6.026 5.881 6.291 0.139 8 0 "[ . 1]" 5
356 1 2 GLN NE2 1 17 THR CG2 4.960 4.860 5.060 5.023 4.773 5.262 0.202 5 0 "[ . 1]" 5
357 1 4 LYS N 1 17 THR CG2 4.500 . 8.000 5.929 4.826 7.014 . 0 0 "[ . 1]" 5
358 1 5 LEU N 1 17 THR CG2 5.460 3.860 7.060 6.057 5.068 7.128 0.068 6 0 "[ . 1]" 5
359 1 5 LEU N 1 18 THR CG2 6.150 4.270 8.030 7.006 6.831 7.071 . 0 0 "[ . 1]" 5
360 1 3 TYR N 1 18 THR CG2 4.770 4.420 5.120 5.340 5.256 5.387 0.267 5 0 "[ . 1]" 5
361 1 22 ASP N 1 25 THR CG2 4.500 . 8.000 5.007 4.741 5.260 . 0 0 "[ . 1]" 5
362 1 25 THR CG2 1 28 LYS NZ 6.070 5.970 6.170 6.054 5.958 6.204 0.034 3 0 "[ . 1]" 5
363 1 21 VAL N 1 25 THR CG2 4.380 4.280 4.480 4.716 4.604 4.829 0.349 2 0 "[ . 1]" 5
364 1 44 THR CG2 1 53 THR N 3.660 3.560 3.760 4.072 4.007 4.098 0.338 9 0 "[ . 1]" 5
365 1 43 TRP N 1 44 THR CG2 4.500 . 8.000 5.303 5.257 5.357 . 0 0 "[ . 1]" 5
366 1 48 ALA N 1 49 THR CG2 5.290 4.910 5.670 5.429 5.355 5.539 . 0 0 "[ . 1]" 5
367 1 4 LYS NZ 1 51 THR CG2 6.400 4.740 8.060 6.894 6.544 7.300 . 0 0 "[ . 1]" 5
368 1 43 TRP N 1 55 THR CG2 5.720 4.620 7.820 7.877 7.777 7.961 0.141 10 0 "[ . 1]" 5
369 1 33 TYR CG 1 34 ALA N 3.350 3.250 3.450 3.204 3.159 3.279 0.091 7 0 "[ . 1]" 5
370 1 33 TYR CG 1 37 ASN N 5.270 4.270 6.270 5.973 5.929 6.090 . 0 0 "[ . 1]" 5
371 1 33 TYR CG 1 37 ASN ND2 3.860 3.760 3.960 3.764 3.712 3.844 0.048 4 0 "[ . 1]" 5
372 1 33 TYR CG 1 33 TYR N 3.470 3.370 3.570 3.702 3.687 3.720 0.150 3 0 "[ . 1]" 5
373 1 3 TYR CG 1 4 LYS N 4.150 3.880 4.420 4.484 4.459 4.516 0.096 5 0 "[ . 1]" 5
374 1 1 MET N 1 3 TYR CG 6.340 3.060 9.620 7.019 6.899 7.678 . 0 0 "[ . 1]" 5
375 1 3 TYR CG 1 18 THR N 5.560 4.350 6.770 6.237 6.160 6.421 . 0 0 "[ . 1]" 5
376 1 3 TYR CG 1 3 TYR N 3.070 2.730 3.410 2.741 2.664 2.767 0.066 5 0 "[ . 1]" 5
377 1 3 TYR CG 1 50 LYS NZ 4.500 . 8.000 6.509 6.228 6.961 . 0 0 "[ . 1]" 5
378 1 2 GLN N 1 3 TYR CG 4.650 4.170 5.130 4.896 4.871 4.967 . 0 0 "[ . 1]" 5
379 1 3 TYR CG 1 51 THR N 6.080 3.710 8.450 6.194 5.968 6.291 . 0 0 "[ . 1]" 5
380 1 45 TYR CG 1 46 ASP N 3.270 3.170 3.370 3.085 3.059 3.103 0.111 9 0 "[ . 1]" 5
381 1 45 TYR CG 1 47 ASP N 4.190 4.090 4.290 4.519 4.495 4.549 0.259 10 0 "[ . 1]" 5
382 1 45 TYR CG 1 52 PHE N 4.930 4.410 5.450 5.473 5.431 5.510 0.060 10 0 "[ . 1]" 5
383 1 45 TYR CG 1 51 THR N 5.080 4.530 5.630 5.635 5.555 5.723 0.093 10 0 "[ . 1]" 5
384 1 45 TYR CG 1 45 TYR N 3.670 3.380 3.960 3.793 3.789 3.802 . 0 0 "[ . 1]" 5
stop_
save_
save_distance_constraint_statistics_6
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 6
_Distance_constraint_stats_list.Constraint_count 60
_Distance_constraint_stats_list.Viol_count 73
_Distance_constraint_stats_list.Viol_total 48.838
_Distance_constraint_stats_list.Viol_max 0.151
_Distance_constraint_stats_list.Viol_rms 0.0264
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0081
_Distance_constraint_stats_list.Viol_average_violations_only 0.0669
_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 GLN 0.455 0.071 5 0 "[ . 1]"
1 3 TYR 1.762 0.151 8 0 "[ . 1]"
1 4 LYS 1.307 0.151 8 0 "[ . 1]"
1 5 LEU 0.000 0.000 . 0 "[ . 1]"
1 6 ILE 0.000 0.000 . 0 "[ . 1]"
1 7 LEU 0.000 0.000 . 0 "[ . 1]"
1 8 ASN 0.000 0.000 . 0 "[ . 1]"
1 9 GLY 0.000 0.000 . 0 "[ . 1]"
1 10 LYS 0.000 0.000 . 0 "[ . 1]"
1 11 THR 0.000 0.000 . 0 "[ . 1]"
1 12 LEU 0.000 0.000 . 0 "[ . 1]"
1 13 LYS 0.000 0.000 . 0 "[ . 1]"
1 14 GLY 0.000 0.000 . 0 "[ . 1]"
1 15 GLU 1.244 0.146 10 0 "[ . 1]"
1 16 THR 1.244 0.146 10 0 "[ . 1]"
1 18 THR 0.000 0.000 . 0 "[ . 1]"
1 19 GLU 0.000 0.000 . 0 "[ . 1]"
1 20 ALA 0.000 0.000 . 0 "[ . 1]"
1 21 VAL 0.000 0.000 . 0 "[ . 1]"
1 22 ASP 0.000 0.000 . 0 "[ . 1]"
1 23 ALA 0.000 0.000 . 0 "[ . 1]"
1 24 ALA 0.000 0.000 . 0 "[ . 1]"
1 25 THR 0.000 0.000 . 0 "[ . 1]"
1 26 ALA 0.000 0.000 . 0 "[ . 1]"
1 27 GLU 0.000 0.000 . 0 "[ . 1]"
1 28 LYS 0.000 0.000 . 0 "[ . 1]"
1 29 VAL 0.000 0.000 . 0 "[ . 1]"
1 30 PHE 0.000 0.000 . 0 "[ . 1]"
1 31 LYS 0.000 0.000 . 0 "[ . 1]"
1 32 GLN 0.000 0.000 . 0 "[ . 1]"
1 33 TYR 0.000 0.000 . 0 "[ . 1]"
1 34 ALA 0.000 0.000 . 0 "[ . 1]"
1 35 ASN 0.000 0.000 . 0 "[ . 1]"
1 36 ASP 0.000 0.000 . 0 "[ . 1]"
1 37 ASN 0.000 0.000 . 0 "[ . 1]"
1 38 GLY 0.000 0.000 . 0 "[ . 1]"
1 39 VAL 0.159 0.033 1 0 "[ . 1]"
1 40 ASP 0.159 0.033 1 0 "[ . 1]"
1 41 GLY 0.000 0.000 . 0 "[ . 1]"
1 42 GLU 0.000 0.000 . 0 "[ . 1]"
1 43 TRP 0.000 0.000 . 0 "[ . 1]"
1 44 THR 0.000 0.000 . 0 "[ . 1]"
1 45 TYR 0.644 0.077 7 0 "[ . 1]"
1 46 ASP 0.644 0.077 7 0 "[ . 1]"
1 47 ASP 0.000 0.000 . 0 "[ . 1]"
1 48 ALA 0.000 0.000 . 0 "[ . 1]"
1 49 THR 0.000 0.000 . 0 "[ . 1]"
1 50 LYS 0.000 0.000 . 0 "[ . 1]"
1 51 THR 0.352 0.042 5 0 "[ . 1]"
1 52 PHE 1.042 0.075 2 0 "[ . 1]"
1 53 THR 0.690 0.075 2 0 "[ . 1]"
1 54 VAL 0.032 0.016 3 0 "[ . 1]"
1 55 THR 0.032 0.016 3 0 "[ . 1]"
1 56 GLU 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 2 GLN N 1 3 TYR N 2.000 . 3.500 3.545 3.535 3.571 0.071 5 0 "[ . 1]" 6
2 1 3 TYR N 1 4 LYS N 2.000 . 3.500 3.631 3.621 3.651 0.151 8 0 "[ . 1]" 6
3 1 7 LEU N 1 8 ASN N 2.000 . 3.500 3.466 3.430 3.497 . 0 0 "[ . 1]" 6
4 1 8 ASN N 1 9 GLY N 2.000 . 3.500 2.860 2.837 2.880 . 0 0 "[ . 1]" 6
5 1 10 LYS N 1 11 THR N 2.000 . 3.500 2.677 2.640 2.718 . 0 0 "[ . 1]" 6
6 1 11 THR N 1 12 LEU N 2.000 . 3.500 2.694 2.675 2.709 . 0 0 "[ . 1]" 6
7 1 15 GLU N 1 16 THR N 2.000 . 3.500 3.624 3.610 3.646 0.146 10 0 "[ . 1]" 6
8 1 23 ALA N 1 24 ALA N 2.250 . 3.000 2.722 2.698 2.750 . 0 0 "[ . 1]" 6
9 1 24 ALA N 1 25 THR N 2.250 . 3.000 2.699 2.682 2.717 . 0 0 "[ . 1]" 6
10 1 25 THR N 1 26 ALA N 2.000 . 3.500 2.877 2.866 2.883 . 0 0 "[ . 1]" 6
11 1 26 ALA N 1 27 GLU N 2.000 . 3.500 2.791 2.777 2.803 . 0 0 "[ . 1]" 6
12 1 28 LYS N 1 29 VAL N 2.250 . 3.000 2.716 2.690 2.734 . 0 0 "[ . 1]" 6
13 1 30 PHE N 1 31 LYS N 2.000 . 3.500 2.787 2.760 2.806 . 0 0 "[ . 1]" 6
14 1 33 TYR N 1 34 ALA N 2.250 . 3.000 2.813 2.763 2.867 . 0 0 "[ . 1]" 6
15 1 34 ALA N 1 35 ASN N 2.250 . 3.000 2.794 2.775 2.818 . 0 0 "[ . 1]" 6
16 1 35 ASN N 1 36 ASP N 2.250 . 3.000 2.749 2.695 2.838 . 0 0 "[ . 1]" 6
17 1 36 ASP N 1 37 ASN N 2.250 . 3.000 2.616 2.581 2.655 . 0 0 "[ . 1]" 6
18 1 37 ASN N 1 38 GLY N 2.000 . 3.500 2.673 2.628 2.702 . 0 0 "[ . 1]" 6
19 1 38 GLY N 1 39 VAL N 2.000 . 3.500 2.790 2.698 2.873 . 0 0 "[ . 1]" 6
20 1 39 VAL N 1 40 ASP N 2.000 . 3.500 3.516 3.499 3.533 0.033 1 0 "[ . 1]" 6
21 1 42 GLU N 1 43 TRP N 2.000 . 3.500 3.478 3.456 3.494 . 0 0 "[ . 1]" 6
22 1 45 TYR N 1 46 ASP N 2.000 . 3.500 3.564 3.553 3.577 0.077 7 0 "[ . 1]" 6
23 1 46 ASP N 1 47 ASP N 2.000 . 3.500 3.409 3.404 3.423 . 0 0 "[ . 1]" 6
24 1 47 ASP N 1 48 ALA N 2.000 . 3.500 2.710 2.699 2.718 . 0 0 "[ . 1]" 6
25 1 48 ALA N 1 49 THR N 2.000 . 3.500 2.684 2.674 2.691 . 0 0 "[ . 1]" 6
26 1 49 THR N 1 50 LYS N 2.000 . 3.500 2.650 2.639 2.660 . 0 0 "[ . 1]" 6
27 1 50 LYS N 1 51 THR N 2.000 . 3.500 2.796 2.775 2.804 . 0 0 "[ . 1]" 6
28 1 51 THR N 1 52 PHE N 2.000 . 3.500 3.535 3.527 3.542 0.042 5 0 "[ . 1]" 6
29 1 52 PHE N 1 53 THR N 2.000 . 3.500 3.569 3.558 3.575 0.075 2 0 "[ . 1]" 6
30 1 54 VAL N 1 55 THR N 2.000 . 3.500 3.499 3.483 3.516 0.016 3 0 "[ . 1]" 6
31 1 55 THR N 1 56 GLU N 2.000 . 3.500 3.461 3.448 3.477 . 0 0 "[ . 1]" 6
32 1 4 LYS N 1 5 LEU N 2.750 . 4.500 3.574 3.563 3.584 . 0 0 "[ . 1]" 6
33 1 5 LEU N 1 6 ILE N 3.000 . 5.000 3.511 3.497 3.528 . 0 0 "[ . 1]" 6
34 1 6 ILE N 1 7 LEU N 2.750 . 4.500 3.430 3.382 3.456 . 0 0 "[ . 1]" 6
35 1 12 LEU N 1 13 LYS N 2.750 . 4.500 3.469 3.443 3.489 . 0 0 "[ . 1]" 6
36 1 13 LYS N 1 14 GLY N 2.750 . 4.500 3.631 3.615 3.649 . 0 0 "[ . 1]" 6
37 1 18 THR N 1 19 GLU N 2.750 . 4.500 3.605 3.589 3.619 . 0 0 "[ . 1]" 6
38 1 27 GLU N 1 28 LYS N 2.500 . 4.000 2.845 2.831 2.858 . 0 0 "[ . 1]" 6
39 1 29 VAL N 1 30 PHE N 3.000 . 5.000 2.810 2.789 2.820 . 0 0 "[ . 1]" 6
40 1 41 GLY N 1 42 GLU N 2.750 . 4.500 3.618 3.607 3.632 . 0 0 "[ . 1]" 6
41 1 44 THR N 1 45 TYR N 2.750 . 4.500 3.626 3.616 3.633 . 0 0 "[ . 1]" 6
42 1 47 ASP N 1 49 THR N 3.000 . 5.000 4.322 4.297 4.344 . 0 0 "[ . 1]" 6
43 1 49 THR N 1 51 THR N 3.000 . 5.000 4.850 4.819 4.889 . 0 0 "[ . 1]" 6
44 1 9 GLY N 1 10 LYS N 3.500 . 6.000 3.614 3.578 3.646 . 0 0 "[ . 1]" 6
45 1 14 GLY N 1 15 GLU N 3.000 . 5.000 3.599 3.578 3.633 . 0 0 "[ . 1]" 6
46 1 22 ASP N 1 23 ALA N 3.000 . 5.000 3.653 3.647 3.661 . 0 0 "[ . 1]" 6
47 1 23 ALA N 1 25 THR N 3.500 . 6.000 4.200 4.171 4.231 . 0 0 "[ . 1]" 6
48 1 24 ALA N 1 26 ALA N 3.000 . 5.000 4.467 4.433 4.496 . 0 0 "[ . 1]" 6
49 1 27 GLU N 1 29 VAL N 3.000 . 5.000 4.195 4.152 4.237 . 0 0 "[ . 1]" 6
50 1 35 ASN N 1 37 ASN N 3.500 . 6.000 3.895 3.854 3.939 . 0 0 "[ . 1]" 6
51 1 36 ASP N 1 38 GLY N 3.000 . 5.000 4.198 4.112 4.307 . 0 0 "[ . 1]" 6
52 1 43 TRP N 1 44 THR N 3.500 . 6.000 3.565 3.553 3.572 . 0 0 "[ . 1]" 6
53 1 53 THR N 1 54 VAL N 3.000 . 5.000 3.579 3.558 3.593 . 0 0 "[ . 1]" 6
54 1 29 VAL N 1 31 LYS N 3.000 . 5.000 4.315 4.267 4.341 . 0 0 "[ . 1]" 6
55 1 32 GLN N 1 33 TYR N 3.750 . 6.500 2.760 2.744 2.771 . 0 0 "[ . 1]" 6
56 1 32 GLN N 1 34 ALA N 3.250 . 5.500 4.287 4.209 4.374 . 0 0 "[ . 1]" 6
57 1 34 ALA N 1 36 ASP N 3.250 . 5.500 4.246 4.163 4.382 . 0 0 "[ . 1]" 6
58 1 37 ASN N 1 39 VAL N 3.250 . 5.500 4.601 4.467 4.701 . 0 0 "[ . 1]" 6
59 1 40 ASP N 1 41 GLY N 3.250 . 5.500 3.344 3.319 3.356 . 0 0 "[ . 1]" 6
60 1 20 ALA N 1 21 VAL N 3.000 . 5.000 3.637 3.625 3.642 . 0 0 "[ . 1]" 6
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