NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
392775 |
1q2z   |
5912 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1q2z
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 373
_Distance_constraint_stats_list.Viol_count 289
_Distance_constraint_stats_list.Viol_total 446.505
_Distance_constraint_stats_list.Viol_max 0.372
_Distance_constraint_stats_list.Viol_rms 0.0215
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0030
_Distance_constraint_stats_list.Viol_average_violations_only 0.0773
_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 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 2 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 3 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 4 ASN 0.001 0.001 2 0 "[ . 1 . 2]"
1 5 PRO 0.001 0.001 2 0 "[ . 1 . 2]"
1 6 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 7 GLU 0.030 0.030 17 0 "[ . 1 . 2]"
1 8 ASN 0.030 0.030 17 0 "[ . 1 . 2]"
1 9 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 VAL 0.025 0.013 5 0 "[ . 1 . 2]"
1 14 LYS 0.025 0.013 5 0 "[ . 1 . 2]"
1 15 GLN 0.996 0.301 11 0 "[ . 1 . 2]"
1 16 LYS 5.057 0.372 9 0 "[ . 1 . 2]"
1 17 LYS 5.979 0.372 9 0 "[ . 1 . 2]"
1 18 ALA 2.114 0.306 1 0 "[ . 1 . 2]"
1 19 SER 0.256 0.069 20 0 "[ . 1 . 2]"
1 20 PHE 0.061 0.061 3 0 "[ . 1 . 2]"
1 21 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 22 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 24 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 LEU 0.215 0.027 12 0 "[ . 1 . 2]"
1 28 ILE 0.215 0.027 12 0 "[ . 1 . 2]"
1 29 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 31 ILE 0.011 0.011 1 0 "[ . 1 . 2]"
1 32 GLU 0.011 0.011 1 0 "[ . 1 . 2]"
1 33 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 34 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 37 THR 2.787 0.237 20 0 "[ . 1 . 2]"
1 38 ASN 2.787 0.237 20 0 "[ . 1 . 2]"
1 39 GLU 0.247 0.033 17 0 "[ . 1 . 2]"
1 40 THR 0.344 0.033 17 0 "[ . 1 . 2]"
1 41 PRO 0.097 0.027 17 0 "[ . 1 . 2]"
1 42 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 43 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 44 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 45 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 46 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 47 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 48 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 49 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 50 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 51 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 52 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 53 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 54 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 55 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 56 GLU 0.169 0.045 14 0 "[ . 1 . 2]"
1 57 ALA 0.169 0.045 14 0 "[ . 1 . 2]"
1 58 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 59 LYS 0.007 0.007 2 0 "[ . 1 . 2]"
1 60 PHE 0.007 0.007 2 0 "[ . 1 . 2]"
1 61 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 62 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 63 GLU 0.009 0.009 11 0 "[ . 1 . 2]"
1 64 GLN 0.481 0.168 6 0 "[ . 1 . 2]"
1 65 ARG 1.117 0.168 6 0 "[ . 1 . 2]"
1 66 PHE 0.645 0.054 3 0 "[ . 1 . 2]"
1 67 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 68 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 69 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 70 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 71 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 72 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 73 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 74 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 75 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 76 LYS 2.024 0.218 17 0 "[ . 1 . 2]"
1 77 VAL 2.024 0.218 17 0 "[ . 1 . 2]"
1 78 GLU 1.395 0.168 18 0 "[ . 1 . 2]"
1 79 ILE 1.885 0.168 18 0 "[ . 1 . 2]"
1 80 LYS 0.941 0.349 2 0 "[ . 1 . 2]"
1 81 GLN 0.451 0.349 2 0 "[ . 1 . 2]"
1 82 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 83 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 84 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 85 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 86 TRP 0.000 0.000 . 0 "[ . 1 . 2]"
1 87 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 88 ILE 0.172 0.142 13 0 "[ . 1 . 2]"
1 89 VAL 0.337 0.142 13 0 "[ . 1 . 2]"
1 90 VAL 0.188 0.118 4 0 "[ . 1 . 2]"
1 91 GLN 0.023 0.010 20 0 "[ . 1 . 2]"
1 92 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 93 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 94 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 95 THR 0.025 0.013 2 0 "[ . 1 . 2]"
1 96 LEU 0.523 0.230 17 0 "[ . 1 . 2]"
1 97 ILE 0.555 0.230 17 0 "[ . 1 . 2]"
1 98 THR 0.057 0.057 17 0 "[ . 1 . 2]"
1 99 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 101 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 102 ALA 0.025 0.025 6 0 "[ . 1 . 2]"
1 103 SER 0.025 0.025 6 0 "[ . 1 . 2]"
1 104 GLY 0.071 0.071 1 0 "[ . 1 . 2]"
1 105 SER 0.071 0.071 1 0 "[ . 1 . 2]"
1 106 SER 0.241 0.186 6 0 "[ . 1 . 2]"
1 107 VAL 2.999 0.203 14 0 "[ . 1 . 2]"
1 108 THR 2.758 0.203 14 0 "[ . 1 . 2]"
1 109 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 110 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 111 GLU 1.965 0.159 3 0 "[ . 1 . 2]"
1 112 ALA 1.965 0.159 3 0 "[ . 1 . 2]"
1 113 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 114 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 115 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 116 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 117 ALA 0.015 0.015 20 0 "[ . 1 . 2]"
1 118 PRO 0.015 0.015 20 0 "[ . 1 . 2]"
1 119 LYS 0.003 0.003 19 0 "[ . 1 . 2]"
1 120 ASP 0.003 0.003 19 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 GLY QA 1 2 PRO QD 3.000 . 3.500 2.160 2.011 2.270 . 0 0 "[ . 1 . 2]" 1
2 1 2 PRO HA 1 3 VAL H 4.000 . 5.000 2.731 2.162 3.556 . 0 0 "[ . 1 . 2]" 1
3 1 2 PRO HB3 1 3 VAL H 4.000 . 5.000 3.435 2.621 4.313 . 0 0 "[ . 1 . 2]" 1
4 1 2 PRO HB2 1 3 VAL H 4.000 . 5.000 3.180 2.539 3.854 . 0 0 "[ . 1 . 2]" 1
5 1 3 VAL HA 1 4 ASN H 4.000 . 5.000 2.619 2.137 3.572 . 0 0 "[ . 1 . 2]" 1
6 1 3 VAL HB 1 4 ASN H 4.000 . 5.000 3.670 2.060 4.418 . 0 0 "[ . 1 . 2]" 1
7 1 3 VAL H 1 4 ASN H 4.000 . 5.000 3.590 1.942 4.548 . 0 0 "[ . 1 . 2]" 1
8 1 4 ASN HA 1 5 PRO HD3 3.000 . 3.500 2.053 1.847 2.809 . 0 0 "[ . 1 . 2]" 1
9 1 4 ASN HA 1 5 PRO HD2 3.000 . 3.500 2.555 2.179 2.751 . 0 0 "[ . 1 . 2]" 1
10 1 4 ASN HA 1 5 PRO HG3 4.000 . 5.000 4.211 3.993 4.829 . 0 0 "[ . 1 . 2]" 1
11 1 4 ASN HA 1 5 PRO HG2 4.000 . 5.000 4.447 4.355 4.605 . 0 0 "[ . 1 . 2]" 1
12 1 4 ASN HB3 1 5 PRO HD2 4.000 . 5.000 4.170 3.607 5.001 0.001 2 0 "[ . 1 . 2]" 1
13 1 4 ASN HB2 1 5 PRO HD2 4.000 . 5.000 4.522 3.917 4.998 . 0 0 "[ . 1 . 2]" 1
14 1 5 PRO HA 1 6 ALA H 4.000 . 5.000 3.537 3.508 3.572 . 0 0 "[ . 1 . 2]" 1
15 1 5 PRO QB 1 6 ALA H 3.500 . 4.000 2.722 2.521 3.080 . 0 0 "[ . 1 . 2]" 1
16 1 5 PRO QD 1 6 ALA H 4.000 . 5.000 2.646 2.202 2.897 . 0 0 "[ . 1 . 2]" 1
17 1 5 PRO HG2 1 6 ALA H 4.000 . 5.000 3.873 1.976 4.209 . 0 0 "[ . 1 . 2]" 1
18 1 6 ALA MB 1 7 GLU H 4.000 . 5.000 2.824 2.659 3.083 . 0 0 "[ . 1 . 2]" 1
19 1 6 ALA H 1 7 GLU H 3.000 . 3.500 2.560 2.343 2.645 . 0 0 "[ . 1 . 2]" 1
20 1 7 GLU HA 1 8 ASN H 4.000 . 5.000 3.553 3.514 3.570 . 0 0 "[ . 1 . 2]" 1
21 1 7 GLU QB 1 8 ASN H 3.500 . 4.000 2.491 2.352 2.715 . 0 0 "[ . 1 . 2]" 1
22 1 7 GLU H 1 8 ASN H 3.000 . 3.500 2.572 2.334 2.703 . 0 0 "[ . 1 . 2]" 1
23 1 7 GLU H 1 8 ASN QB 4.000 . 5.000 4.324 4.089 5.030 0.030 17 0 "[ . 1 . 2]" 1
24 1 8 ASN QB 1 9 PHE H 3.500 . 4.000 2.831 2.363 3.552 . 0 0 "[ . 1 . 2]" 1
25 1 8 ASN H 1 9 PHE H 3.500 . 4.000 2.633 2.345 2.781 . 0 0 "[ . 1 . 2]" 1
26 1 9 PHE HA 1 10 ARG H 4.000 . 5.000 3.552 3.539 3.564 . 0 0 "[ . 1 . 2]" 1
27 1 9 PHE QB 1 10 ARG H 3.500 . 4.000 2.616 2.383 2.782 . 0 0 "[ . 1 . 2]" 1
28 1 10 ARG HA 1 11 VAL H 4.000 . 5.000 3.517 3.478 3.546 . 0 0 "[ . 1 . 2]" 1
29 1 10 ARG H 1 11 VAL H 3.500 . 4.000 2.709 2.612 2.810 . 0 0 "[ . 1 . 2]" 1
30 1 10 ARG HB3 1 11 VAL H 4.000 . 5.000 3.497 3.329 3.808 . 0 0 "[ . 1 . 2]" 1
31 1 11 VAL HA 1 12 LEU H 4.000 . 5.000 3.547 3.536 3.557 . 0 0 "[ . 1 . 2]" 1
32 1 11 VAL HB 1 12 LEU H 4.000 . 5.000 3.252 2.465 3.966 . 0 0 "[ . 1 . 2]" 1
33 1 11 VAL MG2 1 12 LEU H 4.000 . 5.000 3.147 1.978 4.011 . 0 0 "[ . 1 . 2]" 1
34 1 12 LEU HB3 1 13 VAL H 4.000 . 5.000 3.127 2.638 4.285 . 0 0 "[ . 1 . 2]" 1
35 1 12 LEU HB2 1 13 VAL H 4.000 . 5.000 3.672 3.039 4.228 . 0 0 "[ . 1 . 2]" 1
36 1 12 LEU QD 1 13 VAL H 6.000 . 7.000 3.904 2.821 4.286 . 0 0 "[ . 1 . 2]" 1
37 1 12 LEU H 1 13 VAL MG1 4.500 . 5.500 4.379 4.010 4.705 . 0 0 "[ . 1 . 2]" 1
38 1 12 LEU H 1 13 VAL MG2 4.500 . 5.500 3.867 3.783 3.968 . 0 0 "[ . 1 . 2]" 1
39 1 12 LEU H 1 13 VAL H 4.000 . 5.000 2.693 2.508 2.800 . 0 0 "[ . 1 . 2]" 1
40 1 13 VAL HA 1 14 LYS H 4.000 . 5.000 3.346 3.256 3.557 . 0 0 "[ . 1 . 2]" 1
41 1 13 VAL MG1 1 14 LYS H 4.500 . 5.500 4.143 3.950 4.267 . 0 0 "[ . 1 . 2]" 1
42 1 13 VAL MG2 1 14 LYS H 4.500 . 5.500 2.669 1.787 2.975 0.013 5 0 "[ . 1 . 2]" 1
43 1 13 VAL H 1 14 LYS H 3.000 . 3.500 2.319 2.202 2.524 . 0 0 "[ . 1 . 2]" 1
44 1 13 VAL HB 1 14 LYS H 4.000 . 5.000 4.115 3.356 4.313 . 0 0 "[ . 1 . 2]" 1
45 1 15 GLN HB2 1 16 LYS QG 4.000 . 5.000 4.060 2.799 5.301 0.301 11 0 "[ . 1 . 2]" 1
46 1 15 GLN H 1 16 LYS H 3.500 . 4.000 2.251 1.964 2.737 . 0 0 "[ . 1 . 2]" 1
47 1 16 LYS QG 1 17 LYS HA 3.500 . 4.000 3.985 3.474 4.176 0.176 11 0 "[ . 1 . 2]" 1
48 1 16 LYS H 1 17 LYS HA 3.500 . 4.000 4.134 3.940 4.372 0.372 9 0 "[ . 1 . 2]" 1
49 1 16 LYS H 1 17 LYS H 3.500 . 4.000 2.508 1.664 4.015 0.136 9 0 "[ . 1 . 2]" 1
50 1 16 LYS HA 1 17 LYS H 3.500 . 4.000 3.209 2.147 3.567 . 0 0 "[ . 1 . 2]" 1
51 1 17 LYS HA 1 18 ALA H 3.500 . 4.000 2.633 2.199 3.562 . 0 0 "[ . 1 . 2]" 1
52 1 17 LYS HB3 1 18 ALA H 4.000 . 5.000 3.516 1.772 4.408 0.028 8 0 "[ . 1 . 2]" 1
53 1 17 LYS HB2 1 18 ALA H 4.000 . 5.000 3.877 2.641 4.666 . 0 0 "[ . 1 . 2]" 1
54 1 17 LYS QG 1 18 ALA H 4.000 . 5.000 3.928 2.319 4.669 . 0 0 "[ . 1 . 2]" 1
55 1 17 LYS H 1 18 ALA H 3.500 . 4.000 3.492 1.696 4.306 0.306 1 0 "[ . 1 . 2]" 1
56 1 18 ALA HA 1 19 SER H 3.500 . 4.000 3.239 2.164 3.572 . 0 0 "[ . 1 . 2]" 1
57 1 18 ALA MB 1 19 SER H 4.000 . 5.000 2.932 1.856 3.624 . 0 0 "[ . 1 . 2]" 1
58 1 18 ALA H 1 19 SER H 4.000 . 5.000 2.665 1.731 4.444 0.069 20 0 "[ . 1 . 2]" 1
59 1 19 SER HA 1 20 PHE QB 4.000 . 5.000 4.041 3.906 4.289 . 0 0 "[ . 1 . 2]" 1
60 1 19 SER HA 1 20 PHE H 4.000 . 5.000 2.651 2.119 3.570 . 0 0 "[ . 1 . 2]" 1
61 1 19 SER HB2 1 20 PHE H 4.000 . 5.000 3.670 1.879 4.439 . 0 0 "[ . 1 . 2]" 1
62 1 19 SER H 1 20 PHE H 4.000 . 5.000 3.739 1.739 4.547 0.061 3 0 "[ . 1 . 2]" 1
63 1 20 PHE QB 1 21 GLU H 4.000 . 5.000 3.334 2.251 3.994 . 0 0 "[ . 1 . 2]" 1
64 1 21 GLU HA 1 22 GLU H 4.000 . 5.000 3.573 3.549 3.585 . 0 0 "[ . 1 . 2]" 1
65 1 21 GLU H 1 22 GLU H 4.000 . 5.000 2.705 2.225 3.172 . 0 0 "[ . 1 . 2]" 1
66 1 21 GLU HB2 1 22 GLU H 3.500 . 4.000 3.129 2.877 3.534 . 0 0 "[ . 1 . 2]" 1
67 1 21 GLU HG3 1 22 GLU H 4.000 . 5.000 4.759 4.454 4.913 . 0 0 "[ . 1 . 2]" 1
68 1 21 GLU HG2 1 22 GLU H 4.000 . 5.000 4.265 3.853 4.587 . 0 0 "[ . 1 . 2]" 1
69 1 22 GLU HB3 1 23 ALA H 3.500 . 4.000 3.275 2.662 3.972 . 0 0 "[ . 1 . 2]" 1
70 1 22 GLU HB2 1 23 ALA H 3.500 . 4.000 2.761 2.540 3.350 . 0 0 "[ . 1 . 2]" 1
71 1 22 GLU H 1 23 ALA MB 4.500 . 5.500 4.383 4.200 4.557 . 0 0 "[ . 1 . 2]" 1
72 1 22 GLU H 1 23 ALA H 4.000 . 5.000 2.742 2.521 2.929 . 0 0 "[ . 1 . 2]" 1
73 1 23 ALA HA 1 24 SER H 4.000 . 5.000 3.507 3.472 3.545 . 0 0 "[ . 1 . 2]" 1
74 1 23 ALA MB 1 24 SER H 4.500 . 5.500 2.727 2.584 2.865 . 0 0 "[ . 1 . 2]" 1
75 1 23 ALA H 1 24 SER H 3.000 . 3.500 2.622 2.508 2.730 . 0 0 "[ . 1 . 2]" 1
76 1 24 SER H 1 25 ASN H 4.000 . 5.000 2.697 2.635 2.762 . 0 0 "[ . 1 . 2]" 1
77 1 25 ASN HA 1 26 GLN H 4.000 . 5.000 3.549 3.535 3.563 . 0 0 "[ . 1 . 2]" 1
78 1 25 ASN HB3 1 26 GLN H 4.000 . 5.000 3.149 2.951 3.347 . 0 0 "[ . 1 . 2]" 1
79 1 25 ASN HB2 1 26 GLN H 4.000 . 5.000 2.787 2.639 2.925 . 0 0 "[ . 1 . 2]" 1
80 1 25 ASN H 1 26 GLN H 3.500 . 4.000 2.839 2.787 2.905 . 0 0 "[ . 1 . 2]" 1
81 1 26 GLN QB 1 27 LEU H 3.500 . 4.000 2.517 2.404 2.604 . 0 0 "[ . 1 . 2]" 1
82 1 27 LEU HB2 1 28 ILE H 4.000 . 5.000 3.312 2.992 3.484 . 0 0 "[ . 1 . 2]" 1
83 1 27 LEU H 1 28 ILE MD 4.500 . 5.500 5.105 4.260 5.527 0.027 12 0 "[ . 1 . 2]" 1
84 1 27 LEU H 1 28 ILE H 3.500 . 4.000 2.829 2.782 2.878 . 0 0 "[ . 1 . 2]" 1
85 1 28 ILE HA 1 29 ASN H 4.000 . 5.000 3.529 3.497 3.569 . 0 0 "[ . 1 . 2]" 1
86 1 28 ILE MG 1 29 ASN HA 4.500 . 5.500 3.033 2.920 3.389 . 0 0 "[ . 1 . 2]" 1
87 1 28 ILE MG 1 29 ASN H 4.500 . 5.500 2.538 2.095 3.406 . 0 0 "[ . 1 . 2]" 1
88 1 28 ILE H 1 29 ASN H 3.500 . 4.000 2.675 2.580 2.800 . 0 0 "[ . 1 . 2]" 1
89 1 28 ILE HB 1 29 ASN H 4.000 . 5.000 3.211 2.618 3.571 . 0 0 "[ . 1 . 2]" 1
90 1 28 ILE MD 1 29 ASN H 5.000 . 6.000 4.576 4.086 4.819 . 0 0 "[ . 1 . 2]" 1
91 1 29 ASN HA 1 30 HIS H 4.000 . 5.000 3.542 3.536 3.549 . 0 0 "[ . 1 . 2]" 1
92 1 29 ASN HB3 1 30 HIS H 3.500 . 4.000 2.681 2.508 3.090 . 0 0 "[ . 1 . 2]" 1
93 1 29 ASN HB2 1 30 HIS H 3.500 . 4.000 3.296 2.810 3.514 . 0 0 "[ . 1 . 2]" 1
94 1 30 HIS HA 1 31 ILE H 4.000 . 5.000 3.544 3.538 3.556 . 0 0 "[ . 1 . 2]" 1
95 1 30 HIS HB3 1 31 ILE H 4.000 . 5.000 2.910 2.643 3.125 . 0 0 "[ . 1 . 2]" 1
96 1 30 HIS HB2 1 31 ILE H 4.000 . 5.000 2.952 2.678 3.239 . 0 0 "[ . 1 . 2]" 1
97 1 30 HIS H 1 31 ILE H 3.500 . 4.200 2.725 2.670 2.808 . 0 0 "[ . 1 . 2]" 1
98 1 31 ILE HB 1 32 GLU H 3.500 . 4.000 2.413 2.383 2.500 . 0 0 "[ . 1 . 2]" 1
99 1 31 ILE MG 1 32 GLU HG3 4.500 . 5.500 4.047 3.775 4.989 . 0 0 "[ . 1 . 2]" 1
100 1 31 ILE MG 1 32 GLU HG2 4.500 . 5.500 4.390 3.745 5.511 0.011 1 0 "[ . 1 . 2]" 1
101 1 31 ILE MG 1 32 GLU H 4.500 . 5.500 3.192 3.102 3.318 . 0 0 "[ . 1 . 2]" 1
102 1 31 ILE MD 1 32 GLU H 5.000 . 6.000 4.314 4.243 4.390 . 0 0 "[ . 1 . 2]" 1
103 1 32 GLU HA 1 33 GLN H 4.000 . 5.000 3.539 3.464 3.553 . 0 0 "[ . 1 . 2]" 1
104 1 32 GLU H 1 33 GLN H 4.000 . 5.000 2.794 2.485 2.836 . 0 0 "[ . 1 . 2]" 1
105 1 33 GLN HA 1 34 PHE H 4.000 . 5.000 3.543 3.477 3.552 . 0 0 "[ . 1 . 2]" 1
106 1 33 GLN QB 1 34 PHE H 3.000 . 3.500 2.528 2.443 2.927 . 0 0 "[ . 1 . 2]" 1
107 1 33 GLN H 1 34 PHE H 3.500 . 4.000 2.719 2.537 2.848 . 0 0 "[ . 1 . 2]" 1
108 1 34 PHE HB3 1 35 LEU H 4.000 . 5.000 3.590 3.257 3.829 . 0 0 "[ . 1 . 2]" 1
109 1 34 PHE H 1 35 LEU H 3.000 . 3.500 2.722 2.296 2.841 . 0 0 "[ . 1 . 2]" 1
110 1 34 PHE HB2 1 35 LEU H 4.000 . 5.000 2.977 2.802 3.133 . 0 0 "[ . 1 . 2]" 1
111 1 35 LEU HB3 1 36 ASP H 4.000 . 5.000 3.732 2.755 4.059 . 0 0 "[ . 1 . 2]" 1
112 1 35 LEU HB2 1 36 ASP H 4.000 . 5.000 3.099 2.696 3.309 . 0 0 "[ . 1 . 2]" 1
113 1 35 LEU MD1 1 36 ASP H 4.500 . 5.500 4.628 4.297 4.963 . 0 0 "[ . 1 . 2]" 1
114 1 35 LEU MD2 1 36 ASP H 4.500 . 5.500 4.880 4.315 5.068 . 0 0 "[ . 1 . 2]" 1
115 1 35 LEU H 1 36 ASP H 3.500 . 4.000 2.496 2.349 2.766 . 0 0 "[ . 1 . 2]" 1
116 1 36 ASP HA 1 37 THR H 4.000 . 5.000 3.350 3.265 3.556 . 0 0 "[ . 1 . 2]" 1
117 1 36 ASP HB3 1 37 THR H 4.000 . 5.000 3.287 2.388 3.583 . 0 0 "[ . 1 . 2]" 1
118 1 36 ASP HB2 1 37 THR H 4.000 . 5.000 4.104 3.707 4.249 . 0 0 "[ . 1 . 2]" 1
119 1 36 ASP H 1 37 THR H 3.500 . 4.000 2.642 2.483 2.817 . 0 0 "[ . 1 . 2]" 1
120 1 37 THR HA 1 38 ASN H 4.000 . 5.000 2.345 2.112 3.568 . 0 0 "[ . 1 . 2]" 1
121 1 37 THR MG 1 38 ASN H 4.500 . 5.500 3.478 3.108 4.262 . 0 0 "[ . 1 . 2]" 1
122 1 37 THR H 1 38 ASN H 3.500 . 4.000 3.983 2.685 4.237 0.237 20 0 "[ . 1 . 2]" 1
123 1 38 ASN HB3 1 39 GLU H 4.000 . 5.000 4.250 3.542 4.655 . 0 0 "[ . 1 . 2]" 1
124 1 38 ASN HB2 1 39 GLU H 4.000 . 5.000 4.465 3.750 4.662 . 0 0 "[ . 1 . 2]" 1
125 1 38 ASN H 1 39 GLU H 4.000 . 5.000 3.729 2.461 4.521 . 0 0 "[ . 1 . 2]" 1
126 1 39 GLU HA 1 40 THR HB 4.000 . 5.000 5.012 4.998 5.033 0.033 17 0 "[ . 1 . 2]" 1
127 1 39 GLU HA 1 40 THR H 3.500 . 4.000 2.303 2.149 2.598 . 0 0 "[ . 1 . 2]" 1
128 1 39 GLU QB 1 40 THR H 4.000 . 5.000 2.767 2.053 3.221 . 0 0 "[ . 1 . 2]" 1
129 1 40 THR HB 1 41 PRO HD3 3.500 . 4.000 1.827 1.773 1.936 0.027 17 0 "[ . 1 . 2]" 1
130 1 40 THR HB 1 41 PRO HD2 3.000 . 3.500 3.305 2.924 3.448 . 0 0 "[ . 1 . 2]" 1
131 1 41 PRO HA 1 42 TYR H 4.000 . 5.000 3.415 3.255 3.563 . 0 0 "[ . 1 . 2]" 1
132 1 41 PRO HB3 1 42 TYR H 4.000 . 5.000 4.330 3.451 4.538 . 0 0 "[ . 1 . 2]" 1
133 1 41 PRO HB2 1 42 TYR H 4.000 . 5.000 3.367 1.897 4.123 . 0 0 "[ . 1 . 2]" 1
134 1 41 PRO QG 1 42 TYR H 4.000 . 5.000 3.724 2.689 4.114 . 0 0 "[ . 1 . 2]" 1
135 1 42 TYR HA 1 43 PHE H 4.000 . 5.000 3.526 3.466 3.567 . 0 0 "[ . 1 . 2]" 1
136 1 42 TYR QB 1 43 PHE H 4.000 . 5.000 2.762 2.440 3.363 . 0 0 "[ . 1 . 2]" 1
137 1 42 TYR H 1 43 PHE H 3.500 . 4.000 2.408 2.291 2.952 . 0 0 "[ . 1 . 2]" 1
138 1 43 PHE HB3 1 44 MET H 4.000 . 5.000 3.636 3.260 3.811 . 0 0 "[ . 1 . 2]" 1
139 1 43 PHE HB2 1 44 MET H 4.000 . 5.000 3.111 2.899 3.330 . 0 0 "[ . 1 . 2]" 1
140 1 44 MET HA 1 45 LYS H 4.000 . 5.000 3.483 3.446 3.509 . 0 0 "[ . 1 . 2]" 1
141 1 44 MET QB 1 45 LYS H 3.500 . 4.000 2.801 2.718 2.960 . 0 0 "[ . 1 . 2]" 1
142 1 44 MET QG 1 45 LYS H 4.500 . 5.500 4.281 4.101 4.546 . 0 0 "[ . 1 . 2]" 1
143 1 44 MET H 1 45 LYS H 4.000 . 5.000 2.546 2.390 2.746 . 0 0 "[ . 1 . 2]" 1
144 1 45 LYS HB2 1 46 SER H 4.000 . 5.000 3.644 3.249 3.840 . 0 0 "[ . 1 . 2]" 1
145 1 45 LYS HA 1 46 SER H 4.000 . 5.000 3.498 3.468 3.568 . 0 0 "[ . 1 . 2]" 1
146 1 45 LYS HB3 1 46 SER H 3.500 . 4.000 2.868 2.157 3.293 . 0 0 "[ . 1 . 2]" 1
147 1 45 LYS H 1 46 SER H 4.000 . 5.000 2.479 2.384 2.678 . 0 0 "[ . 1 . 2]" 1
148 1 47 ILE HB 1 48 ASP H 3.500 . 4.000 2.545 2.342 2.648 . 0 0 "[ . 1 . 2]" 1
149 1 47 ILE MD 1 48 ASP H 4.500 . 5.500 4.141 3.878 4.679 . 0 0 "[ . 1 . 2]" 1
150 1 47 ILE MG 1 48 ASP H 4.500 . 5.500 3.576 3.269 3.774 . 0 0 "[ . 1 . 2]" 1
151 1 47 ILE H 1 48 ASP H 3.000 . 3.500 2.723 2.647 2.878 . 0 0 "[ . 1 . 2]" 1
152 1 47 ILE HA 1 48 ASP H 4.000 . 5.000 3.540 3.527 3.566 . 0 0 "[ . 1 . 2]" 1
153 1 48 ASP HA 1 49 CYS H 4.000 . 5.000 3.435 3.377 3.466 . 0 0 "[ . 1 . 2]" 1
154 1 48 ASP HB3 1 49 CYS H 4.000 . 5.000 3.318 2.961 3.745 . 0 0 "[ . 1 . 2]" 1
155 1 48 ASP HB2 1 49 CYS H 4.000 . 5.000 3.470 3.147 3.879 . 0 0 "[ . 1 . 2]" 1
156 1 49 CYS HA 1 50 ILE H 3.500 . 4.000 3.560 3.530 3.575 . 0 0 "[ . 1 . 2]" 1
157 1 49 CYS HB2 1 50 ILE H 4.000 . 5.000 2.720 2.497 2.839 . 0 0 "[ . 1 . 2]" 1
158 1 49 CYS H 1 50 ILE H 4.000 . 5.000 2.432 2.394 2.481 . 0 0 "[ . 1 . 2]" 1
159 1 50 ILE HB 1 51 ARG H 4.000 . 5.000 3.726 3.483 3.919 . 0 0 "[ . 1 . 2]" 1
160 1 50 ILE MG 1 51 ARG H 4.500 . 5.500 2.304 2.025 2.688 . 0 0 "[ . 1 . 2]" 1
161 1 51 ARG QB 1 52 ALA H 3.500 . 4.000 2.565 2.302 2.843 . 0 0 "[ . 1 . 2]" 1
162 1 51 ARG H 1 52 ALA H 3.500 . 4.000 2.509 2.389 2.624 . 0 0 "[ . 1 . 2]" 1
163 1 51 ARG HA 1 52 ALA H 4.000 . 5.000 3.527 3.476 3.566 . 0 0 "[ . 1 . 2]" 1
164 1 51 ARG HB3 1 52 ALA H 3.500 . 4.000 3.345 2.937 3.796 . 0 0 "[ . 1 . 2]" 1
165 1 51 ARG HG2 1 52 ALA H 4.000 . 5.000 4.753 4.670 4.901 . 0 0 "[ . 1 . 2]" 1
166 1 52 ALA HA 1 53 PHE H 4.000 . 5.000 3.500 3.481 3.516 . 0 0 "[ . 1 . 2]" 1
167 1 52 ALA H 1 53 PHE H 3.500 . 4.000 2.532 2.311 2.745 . 0 0 "[ . 1 . 2]" 1
168 1 52 ALA MB 1 53 PHE H 4.000 . 5.000 2.678 2.602 2.741 . 0 0 "[ . 1 . 2]" 1
169 1 53 PHE HB3 1 54 ARG H 4.000 . 5.000 2.331 2.182 2.473 . 0 0 "[ . 1 . 2]" 1
170 1 53 PHE H 1 54 ARG H 4.000 . 5.000 2.632 2.520 2.735 . 0 0 "[ . 1 . 2]" 1
171 1 53 PHE HB2 1 54 ARG H 4.000 . 5.000 3.494 3.378 3.677 . 0 0 "[ . 1 . 2]" 1
172 1 54 ARG H 1 55 GLU H 4.000 . 5.000 2.826 2.691 2.934 . 0 0 "[ . 1 . 2]" 1
173 1 55 GLU HA 1 56 GLU H 4.000 . 5.000 3.563 3.548 3.576 . 0 0 "[ . 1 . 2]" 1
174 1 55 GLU H 1 56 GLU H 4.000 . 5.000 2.700 2.528 2.853 . 0 0 "[ . 1 . 2]" 1
175 1 55 GLU HB2 1 56 GLU H 4.000 . 5.000 2.922 2.501 3.571 . 0 0 "[ . 1 . 2]" 1
176 1 56 GLU HA 1 57 ALA H 4.000 . 5.000 3.475 3.428 3.536 . 0 0 "[ . 1 . 2]" 1
177 1 56 GLU HG3 1 57 ALA H 4.000 . 5.000 4.995 4.837 5.045 0.045 14 0 "[ . 1 . 2]" 1
178 1 56 GLU HG2 1 57 ALA H 4.000 . 5.000 4.804 4.670 4.929 . 0 0 "[ . 1 . 2]" 1
179 1 56 GLU H 1 57 ALA H 3.500 . 4.000 2.638 2.583 2.692 . 0 0 "[ . 1 . 2]" 1
180 1 57 ALA MB 1 58 ILE H 4.500 . 5.500 2.217 2.089 2.331 . 0 0 "[ . 1 . 2]" 1
181 1 57 ALA H 1 58 ILE H 4.000 . 5.000 2.554 2.483 2.614 . 0 0 "[ . 1 . 2]" 1
182 1 58 ILE HA 1 59 LYS H 4.000 . 5.000 3.540 3.516 3.562 . 0 0 "[ . 1 . 2]" 1
183 1 58 ILE HB 1 59 LYS H 4.000 . 5.000 3.138 2.567 3.791 . 0 0 "[ . 1 . 2]" 1
184 1 58 ILE MD 1 59 LYS H 4.500 . 5.500 3.681 2.641 4.704 . 0 0 "[ . 1 . 2]" 1
185 1 58 ILE MG 1 59 LYS H 4.500 . 5.500 3.543 2.934 3.880 . 0 0 "[ . 1 . 2]" 1
186 1 58 ILE H 1 59 LYS H 3.000 . 3.500 2.779 2.691 2.859 . 0 0 "[ . 1 . 2]" 1
187 1 59 LYS HA 1 60 PHE H 4.000 . 5.000 3.581 3.562 3.597 . 0 0 "[ . 1 . 2]" 1
188 1 59 LYS HB3 1 60 PHE H 4.000 . 5.000 3.081 2.867 3.353 . 0 0 "[ . 1 . 2]" 1
189 1 59 LYS HB2 1 60 PHE H 4.000 . 5.000 2.674 2.589 2.805 . 0 0 "[ . 1 . 2]" 1
190 1 59 LYS HG3 1 60 PHE H 4.000 . 5.000 4.765 4.647 4.907 . 0 0 "[ . 1 . 2]" 1
191 1 59 LYS HG2 1 60 PHE H 4.000 . 5.000 4.867 4.738 5.007 0.007 2 0 "[ . 1 . 2]" 1
192 1 59 LYS H 1 60 PHE H 3.500 . 4.000 2.937 2.780 3.027 . 0 0 "[ . 1 . 2]" 1
193 1 60 PHE HA 1 61 SER H 4.000 . 5.000 2.297 2.170 2.457 . 0 0 "[ . 1 . 2]" 1
194 1 60 PHE HB3 1 61 SER H 4.000 . 5.000 4.515 4.439 4.640 . 0 0 "[ . 1 . 2]" 1
195 1 60 PHE HB2 1 61 SER H 4.000 . 5.000 4.087 3.842 4.296 . 0 0 "[ . 1 . 2]" 1
196 1 60 PHE H 1 61 SER H 3.500 . 4.000 3.154 2.692 3.501 . 0 0 "[ . 1 . 2]" 1
197 1 61 SER HA 1 62 GLU H 4.000 . 5.000 3.451 3.368 3.481 . 0 0 "[ . 1 . 2]" 1
198 1 61 SER H 1 62 GLU H 3.500 . 4.000 3.388 3.254 3.587 . 0 0 "[ . 1 . 2]" 1
199 1 62 GLU HA 1 63 GLU H 4.000 . 5.000 2.487 2.300 2.570 . 0 0 "[ . 1 . 2]" 1
200 1 62 GLU H 1 63 GLU H 4.000 . 5.000 3.216 2.982 3.839 . 0 0 "[ . 1 . 2]" 1
201 1 63 GLU HA 1 64 GLN H 4.000 . 5.000 3.523 3.497 3.564 . 0 0 "[ . 1 . 2]" 1
202 1 63 GLU HB3 1 64 GLN H 4.000 . 5.000 4.057 3.938 4.106 . 0 0 "[ . 1 . 2]" 1
203 1 63 GLU HB2 1 64 GLN H 3.500 . 4.000 3.685 3.356 3.893 . 0 0 "[ . 1 . 2]" 1
204 1 63 GLU HG3 1 64 GLN H 4.000 . 5.000 2.968 1.928 3.843 . 0 0 "[ . 1 . 2]" 1
205 1 63 GLU HG2 1 64 GLN H 3.500 . 4.000 2.326 1.791 3.008 0.009 11 0 "[ . 1 . 2]" 1
206 1 63 GLU H 1 64 GLN H 4.000 . 5.000 2.786 2.467 2.874 . 0 0 "[ . 1 . 2]" 1
207 1 64 GLN HA 1 65 ARG H 3.000 . 3.500 3.435 3.368 3.464 . 0 0 "[ . 1 . 2]" 1
208 1 64 GLN QB 1 65 ARG H 2.500 . 3.000 3.008 2.931 3.168 0.168 6 0 "[ . 1 . 2]" 1
209 1 64 GLN H 1 65 ARG H 4.000 . 5.000 2.539 2.429 2.617 . 0 0 "[ . 1 . 2]" 1
210 1 65 ARG HA 1 66 PHE H 4.000 . 5.000 3.420 3.379 3.568 . 0 0 "[ . 1 . 2]" 1
211 1 65 ARG QB 1 66 PHE H 3.500 . 4.000 2.987 2.089 3.591 . 0 0 "[ . 1 . 2]" 1
212 1 65 ARG HG2 1 66 PHE H 3.500 . 4.000 3.944 3.014 4.054 0.054 3 0 "[ . 1 . 2]" 1
213 1 65 ARG H 1 66 PHE H 3.500 . 4.000 2.452 2.378 2.651 . 0 0 "[ . 1 . 2]" 1
214 1 65 ARG HB3 1 66 PHE H 4.000 . 5.000 3.070 2.105 3.810 . 0 0 "[ . 1 . 2]" 1
215 1 65 ARG HB2 1 66 PHE H 4.000 . 5.000 4.146 3.494 4.389 . 0 0 "[ . 1 . 2]" 1
216 1 66 PHE HA 1 67 ASN H 4.000 . 5.000 3.559 3.534 3.572 . 0 0 "[ . 1 . 2]" 1
217 1 66 PHE HB3 1 67 ASN H 4.000 . 5.000 2.673 2.437 2.906 . 0 0 "[ . 1 . 2]" 1
218 1 66 PHE HB2 1 67 ASN H 4.000 . 5.000 3.397 3.077 3.689 . 0 0 "[ . 1 . 2]" 1
219 1 66 PHE H 1 67 ASN H 3.500 . 4.000 2.413 2.237 3.024 . 0 0 "[ . 1 . 2]" 1
220 1 67 ASN HA 1 68 ASN H 3.500 . 4.000 3.382 3.339 3.537 . 0 0 "[ . 1 . 2]" 1
221 1 67 ASN HB3 1 68 ASN H 4.000 . 5.000 4.220 3.820 4.349 . 0 0 "[ . 1 . 2]" 1
222 1 67 ASN HB2 1 68 ASN H 4.000 . 5.000 3.746 2.886 4.293 . 0 0 "[ . 1 . 2]" 1
223 1 68 ASN HB2 1 69 PHE H 3.500 . 4.000 3.601 2.686 3.745 . 0 0 "[ . 1 . 2]" 1
224 1 68 ASN QB 1 69 PHE H 3.500 . 4.000 2.188 2.105 2.366 . 0 0 "[ . 1 . 2]" 1
225 1 68 ASN H 1 69 PHE H 3.500 . 4.000 2.698 2.603 3.110 . 0 0 "[ . 1 . 2]" 1
226 1 68 ASN HB3 1 69 PHE H 4.000 . 5.000 2.217 2.120 2.628 . 0 0 "[ . 1 . 2]" 1
227 1 69 PHE HA 1 70 LEU H 4.000 . 5.000 3.473 3.450 3.503 . 0 0 "[ . 1 . 2]" 1
228 1 69 PHE HB3 1 70 LEU H 4.000 . 5.000 2.928 2.787 3.090 . 0 0 "[ . 1 . 2]" 1
229 1 69 PHE HB2 1 70 LEU H 4.000 . 5.000 3.770 3.696 3.851 . 0 0 "[ . 1 . 2]" 1
230 1 69 PHE H 1 70 LEU H 4.000 . 5.000 2.618 2.497 2.696 . 0 0 "[ . 1 . 2]" 1
231 1 70 LEU HA 1 71 LYS H 4.000 . 5.000 3.552 3.524 3.564 . 0 0 "[ . 1 . 2]" 1
232 1 70 LEU HB3 1 71 LYS H 4.000 . 5.000 3.004 2.728 3.320 . 0 0 "[ . 1 . 2]" 1
233 1 70 LEU HB2 1 71 LYS H 4.000 . 5.000 2.770 2.482 3.373 . 0 0 "[ . 1 . 2]" 1
234 1 70 LEU MD2 1 71 LYS H 4.500 . 5.500 4.453 4.189 4.600 . 0 0 "[ . 1 . 2]" 1
235 1 70 LEU H 1 71 LYS H 3.500 . 4.000 2.672 2.449 2.735 . 0 0 "[ . 1 . 2]" 1
236 1 71 LYS HA 1 72 ALA H 4.000 . 5.000 3.536 3.478 3.571 . 0 0 "[ . 1 . 2]" 1
237 1 71 LYS QB 1 72 ALA H 3.500 . 4.000 2.652 2.562 2.756 . 0 0 "[ . 1 . 2]" 1
238 1 71 LYS H 1 72 ALA H 3.500 . 4.000 2.758 2.505 2.828 . 0 0 "[ . 1 . 2]" 1
239 1 72 ALA HA 1 73 LEU H 4.000 . 5.000 3.536 3.516 3.552 . 0 0 "[ . 1 . 2]" 1
240 1 72 ALA MB 1 73 LEU H 4.000 . 5.000 2.479 2.404 2.514 . 0 0 "[ . 1 . 2]" 1
241 1 72 ALA H 1 73 LEU H 3.500 . 4.000 2.553 2.435 2.695 . 0 0 "[ . 1 . 2]" 1
242 1 73 LEU HA 1 74 GLN H 4.000 . 5.000 3.537 3.504 3.565 . 0 0 "[ . 1 . 2]" 1
243 1 73 LEU HB3 1 74 GLN H 4.000 . 5.000 2.521 2.344 2.675 . 0 0 "[ . 1 . 2]" 1
244 1 73 LEU H 1 74 GLN H 4.000 . 5.000 2.783 2.643 2.907 . 0 0 "[ . 1 . 2]" 1
245 1 73 LEU HB2 1 74 GLN H 3.500 . 4.000 3.844 3.701 3.963 . 0 0 "[ . 1 . 2]" 1
246 1 74 GLN HA 1 75 GLU H 4.000 . 5.000 3.560 3.549 3.583 . 0 0 "[ . 1 . 2]" 1
247 1 74 GLN H 1 75 GLU H 3.500 . 4.000 2.825 2.677 3.057 . 0 0 "[ . 1 . 2]" 1
248 1 75 GLU HA 1 76 LYS H 3.500 . 4.000 3.487 3.439 3.548 . 0 0 "[ . 1 . 2]" 1
249 1 75 GLU H 1 76 LYS H 3.500 . 4.000 2.669 2.556 2.825 . 0 0 "[ . 1 . 2]" 1
250 1 76 LYS H 1 77 VAL MG1 4.500 . 5.500 3.649 3.295 4.096 . 0 0 "[ . 1 . 2]" 1
251 1 76 LYS H 1 77 VAL MG2 4.500 . 5.500 5.217 4.127 5.718 0.218 17 0 "[ . 1 . 2]" 1
252 1 76 LYS H 1 77 VAL H 3.500 . 4.000 2.624 2.461 2.933 . 0 0 "[ . 1 . 2]" 1
253 1 77 VAL HA 1 78 GLU H 4.000 . 5.000 3.472 3.402 3.518 . 0 0 "[ . 1 . 2]" 1
254 1 77 VAL MG1 1 78 GLU H 4.500 . 5.500 2.825 2.134 3.784 . 0 0 "[ . 1 . 2]" 1
255 1 77 VAL MG2 1 78 GLU H 4.500 . 5.500 3.126 2.244 3.905 . 0 0 "[ . 1 . 2]" 1
256 1 77 VAL H 1 78 GLU H 3.500 . 4.000 2.622 2.492 2.766 . 0 0 "[ . 1 . 2]" 1
257 1 77 VAL HB 1 78 GLU H 4.000 . 5.000 4.135 3.881 4.324 . 0 0 "[ . 1 . 2]" 1
258 1 78 GLU HA 1 79 ILE MD 4.500 . 5.500 5.453 4.745 5.668 0.168 18 0 "[ . 1 . 2]" 1
259 1 78 GLU HA 1 79 ILE H 3.500 . 4.000 3.536 3.390 3.564 . 0 0 "[ . 1 . 2]" 1
260 1 78 GLU H 1 79 ILE H 3.000 . 3.500 2.703 2.472 2.842 . 0 0 "[ . 1 . 2]" 1
261 1 79 ILE HB 1 80 LYS H 4.000 . 5.000 3.002 1.761 4.363 0.039 19 0 "[ . 1 . 2]" 1
262 1 79 ILE MD 1 80 LYS H 4.500 . 5.500 4.411 3.558 5.414 . 0 0 "[ . 1 . 2]" 1
263 1 79 ILE MG 1 80 LYS HG3 4.000 . 5.000 4.866 3.532 5.083 0.083 1 0 "[ . 1 . 2]" 1
264 1 79 ILE MG 1 80 LYS H 4.500 . 5.500 3.421 2.213 4.177 . 0 0 "[ . 1 . 2]" 1
265 1 79 ILE HA 1 80 LYS H 4.000 . 5.000 3.261 2.619 3.570 . 0 0 "[ . 1 . 2]" 1
266 1 80 LYS HA 1 81 GLN H 4.000 . 5.000 2.293 2.069 3.587 . 0 0 "[ . 1 . 2]" 1
267 1 80 LYS HB3 1 81 GLN H 4.000 . 5.000 4.178 1.698 4.617 0.102 1 0 "[ . 1 . 2]" 1
268 1 80 LYS H 1 81 GLN H 3.500 . 4.000 3.636 2.893 4.349 0.349 2 0 "[ . 1 . 2]" 1
269 1 81 GLN HA 1 82 LEU H 3.500 . 4.000 3.462 2.130 3.573 . 0 0 "[ . 1 . 2]" 1
270 1 81 GLN HB3 1 82 LEU H 4.000 . 5.000 2.642 1.876 3.663 . 0 0 "[ . 1 . 2]" 1
271 1 81 GLN H 1 82 LEU H 3.500 . 4.000 2.504 1.899 3.758 . 0 0 "[ . 1 . 2]" 1
272 1 81 GLN QG 1 82 LEU H 4.000 . 5.000 4.204 3.675 4.651 . 0 0 "[ . 1 . 2]" 1
273 1 82 LEU HA 1 83 ASN H 3.500 . 4.000 2.648 2.385 3.104 . 0 0 "[ . 1 . 2]" 1
274 1 84 HIS QB 1 85 PHE H 4.000 . 5.000 3.087 2.519 3.600 . 0 0 "[ . 1 . 2]" 1
275 1 85 PHE HB3 1 86 TRP H 4.000 . 5.000 2.830 2.458 3.045 . 0 0 "[ . 1 . 2]" 1
276 1 85 PHE HB2 1 86 TRP H 4.000 . 5.000 3.834 3.536 3.990 . 0 0 "[ . 1 . 2]" 1
277 1 85 PHE H 1 86 TRP H 3.500 . 4.000 2.681 2.506 2.866 . 0 0 "[ . 1 . 2]" 1
278 1 86 TRP HB3 1 87 GLU H 4.000 . 5.000 2.440 2.159 2.640 . 0 0 "[ . 1 . 2]" 1
279 1 86 TRP HB2 1 87 GLU H 4.000 . 5.000 3.688 3.478 3.890 . 0 0 "[ . 1 . 2]" 1
280 1 87 GLU HA 1 88 ILE H 4.000 . 5.000 3.429 3.375 3.534 . 0 0 "[ . 1 . 2]" 1
281 1 87 GLU HB3 1 88 ILE H 4.000 . 5.000 3.727 3.082 4.028 . 0 0 "[ . 1 . 2]" 1
282 1 87 GLU H 1 88 ILE H 3.500 . 4.000 2.568 2.501 2.630 . 0 0 "[ . 1 . 2]" 1
283 1 88 ILE HA 1 89 VAL H 4.000 . 5.000 3.516 3.361 3.581 . 0 0 "[ . 1 . 2]" 1
284 1 88 ILE HB 1 89 VAL MG2 4.500 . 5.500 3.698 3.206 5.282 . 0 0 "[ . 1 . 2]" 1
285 1 88 ILE MD 1 89 VAL H 4.500 . 5.500 4.314 3.957 5.063 . 0 0 "[ . 1 . 2]" 1
286 1 88 ILE MG 1 89 VAL H 4.500 . 5.500 2.944 1.770 4.088 0.030 4 0 "[ . 1 . 2]" 1
287 1 88 ILE H 1 89 VAL MG2 4.500 . 5.500 4.217 3.280 5.642 0.142 13 0 "[ . 1 . 2]" 1
288 1 88 ILE H 1 89 VAL H 3.500 . 4.000 2.538 2.365 2.626 . 0 0 "[ . 1 . 2]" 1
289 1 88 ILE HB 1 89 VAL H 4.000 . 5.000 2.597 2.168 3.771 . 0 0 "[ . 1 . 2]" 1
290 1 89 VAL HA 1 90 VAL H 4.000 . 5.000 3.507 3.484 3.537 . 0 0 "[ . 1 . 2]" 1
291 1 89 VAL HB 1 90 VAL H 3.500 . 4.000 3.078 2.775 3.971 . 0 0 "[ . 1 . 2]" 1
292 1 89 VAL MG1 1 90 VAL HA 4.500 . 5.500 3.620 3.071 5.416 . 0 0 "[ . 1 . 2]" 1
293 1 89 VAL MG1 1 90 VAL H 4.500 . 5.500 3.375 1.867 4.146 . 0 0 "[ . 1 . 2]" 1
294 1 89 VAL MG2 1 90 VAL H 4.500 . 5.500 3.783 2.073 4.128 . 0 0 "[ . 1 . 2]" 1
295 1 89 VAL H 1 90 VAL MG1 4.500 . 5.500 4.295 3.354 5.618 0.118 4 0 "[ . 1 . 2]" 1
296 1 89 VAL H 1 90 VAL H 4.000 . 5.000 2.709 2.172 2.899 . 0 0 "[ . 1 . 2]" 1
297 1 90 VAL HB 1 91 GLN H 3.500 . 4.000 3.623 2.639 3.939 . 0 0 "[ . 1 . 2]" 1
298 1 90 VAL MG2 1 91 GLN H 4.000 . 5.000 3.704 3.299 4.093 . 0 0 "[ . 1 . 2]" 1
299 1 90 VAL HA 1 91 GLN H 4.000 . 5.000 3.535 3.468 3.562 . 0 0 "[ . 1 . 2]" 1
300 1 90 VAL MG1 1 91 GLN H 4.500 . 5.500 1.959 1.790 2.249 0.010 20 0 "[ . 1 . 2]" 1
301 1 90 VAL H 1 91 GLN H 4.000 . 5.000 2.455 2.244 2.773 . 0 0 "[ . 1 . 2]" 1
302 1 92 ASP HA 1 93 GLY H 4.000 . 5.000 3.322 3.168 3.530 . 0 0 "[ . 1 . 2]" 1
303 1 92 ASP HB3 1 93 GLY H 4.000 . 5.000 3.766 3.102 4.224 . 0 0 "[ . 1 . 2]" 1
304 1 92 ASP HB2 1 93 GLY H 4.000 . 5.000 3.551 2.610 4.277 . 0 0 "[ . 1 . 2]" 1
305 1 92 ASP H 1 93 GLY H 3.500 . 4.000 2.653 2.258 2.799 . 0 0 "[ . 1 . 2]" 1
306 1 93 GLY H 1 94 ILE H 3.500 . 4.000 2.514 1.840 2.999 . 0 0 "[ . 1 . 2]" 1
307 1 93 GLY HA3 1 94 ILE H 4.000 . 5.000 3.344 2.990 3.558 . 0 0 "[ . 1 . 2]" 1
308 1 93 GLY HA2 1 94 ILE H 4.000 . 5.000 3.197 2.748 3.505 . 0 0 "[ . 1 . 2]" 1
309 1 94 ILE HA 1 95 THR MG 5.000 . 6.000 3.464 3.216 3.816 . 0 0 "[ . 1 . 2]" 1
310 1 94 ILE HA 1 95 THR H 3.000 . 3.500 2.185 2.120 2.322 . 0 0 "[ . 1 . 2]" 1
311 1 94 ILE MD 1 95 THR H 4.500 . 5.500 4.852 3.444 5.379 . 0 0 "[ . 1 . 2]" 1
312 1 94 ILE MG 1 95 THR HA 4.500 . 5.500 4.099 3.742 5.466 . 0 0 "[ . 1 . 2]" 1
313 1 95 THR HA 1 96 LEU H 3.500 . 4.000 2.552 2.221 2.772 . 0 0 "[ . 1 . 2]" 1
314 1 95 THR HB 1 96 LEU H 4.000 . 5.000 2.598 1.787 3.695 0.013 2 0 "[ . 1 . 2]" 1
315 1 95 THR MG 1 96 LEU H 4.500 . 5.500 3.560 2.467 3.946 . 0 0 "[ . 1 . 2]" 1
316 1 95 THR H 1 96 LEU H 4.000 . 5.000 4.405 4.328 4.473 . 0 0 "[ . 1 . 2]" 1
317 1 96 LEU HA 1 97 ILE MD 4.500 . 5.500 3.371 3.058 4.027 . 0 0 "[ . 1 . 2]" 1
318 1 96 LEU HA 1 97 ILE H 3.500 . 4.000 2.705 2.455 3.381 . 0 0 "[ . 1 . 2]" 1
319 1 96 LEU HB3 1 97 ILE MD 4.500 . 5.500 4.341 3.907 5.195 . 0 0 "[ . 1 . 2]" 1
320 1 96 LEU QB 1 97 ILE H 4.000 . 5.000 2.278 1.570 3.498 0.230 17 0 "[ . 1 . 2]" 1
321 1 96 LEU MD1 1 97 ILE H 4.500 . 5.500 3.120 2.173 4.942 . 0 0 "[ . 1 . 2]" 1
322 1 96 LEU H 1 97 ILE H 4.000 . 5.000 4.106 2.096 4.613 . 0 0 "[ . 1 . 2]" 1
323 1 97 ILE HA 1 98 THR MG 4.500 . 5.500 5.178 4.482 5.557 0.057 17 0 "[ . 1 . 2]" 1
324 1 97 ILE HA 1 98 THR H 3.500 . 4.000 2.229 2.142 3.517 . 0 0 "[ . 1 . 2]" 1
325 1 97 ILE MG 1 98 THR HA 4.500 . 5.500 3.577 3.422 3.777 . 0 0 "[ . 1 . 2]" 1
326 1 97 ILE MG 1 98 THR H 4.500 . 5.500 2.994 2.318 3.266 . 0 0 "[ . 1 . 2]" 1
327 1 98 THR HA 1 99 LYS H 3.500 . 4.000 2.210 2.130 2.330 . 0 0 "[ . 1 . 2]" 1
328 1 98 THR HB 1 99 LYS H 4.000 . 5.000 3.429 2.980 3.766 . 0 0 "[ . 1 . 2]" 1
329 1 101 GLU HA 1 102 ALA H 4.000 . 5.000 3.224 2.798 3.568 . 0 0 "[ . 1 . 2]" 1
330 1 101 GLU H 1 102 ALA H 3.000 . 3.500 2.664 2.433 2.989 . 0 0 "[ . 1 . 2]" 1
331 1 101 GLU HB2 1 102 ALA H 4.000 . 5.000 3.743 2.330 4.568 . 0 0 "[ . 1 . 2]" 1
332 1 102 ALA HA 1 103 SER H 4.000 . 5.000 3.263 2.157 3.570 . 0 0 "[ . 1 . 2]" 1
333 1 102 ALA MB 1 103 SER H 4.500 . 5.500 2.240 1.775 3.556 0.025 6 0 "[ . 1 . 2]" 1
334 1 102 ALA H 1 103 SER H 4.000 . 5.000 3.028 2.002 4.305 . 0 0 "[ . 1 . 2]" 1
335 1 103 SER HA 1 104 GLY H 4.000 . 5.000 3.138 2.240 3.583 . 0 0 "[ . 1 . 2]" 1
336 1 104 GLY H 1 105 SER H 4.000 . 5.000 2.794 1.729 4.531 0.071 1 0 "[ . 1 . 2]" 1
337 1 105 SER HA 1 106 SER H 4.000 . 5.000 2.656 2.087 3.475 . 0 0 "[ . 1 . 2]" 1
338 1 106 SER H 1 107 VAL MG2 4.500 . 5.500 4.653 3.817 5.686 0.186 6 0 "[ . 1 . 2]" 1
339 1 106 SER H 1 107 VAL H 4.500 . 5.500 4.126 3.738 4.547 . 0 0 "[ . 1 . 2]" 1
340 1 107 VAL MG1 1 108 THR HB 4.500 . 5.500 4.087 3.606 4.773 . 0 0 "[ . 1 . 2]" 1
341 1 107 VAL MG2 1 108 THR HB 4.500 . 5.500 5.515 4.312 5.703 0.203 14 0 "[ . 1 . 2]" 1
342 1 107 VAL HA 1 108 THR MG 4.000 . 5.000 4.709 3.816 5.197 0.197 9 0 "[ . 1 . 2]" 1
343 1 108 THR HA 1 109 ALA MB 4.000 . 5.000 3.997 3.967 4.061 . 0 0 "[ . 1 . 2]" 1
344 1 108 THR HA 1 109 ALA H 4.000 . 5.000 2.248 2.213 2.279 . 0 0 "[ . 1 . 2]" 1
345 1 109 ALA MB 1 110 GLU H 4.000 . 5.000 3.034 2.311 3.146 . 0 0 "[ . 1 . 2]" 1
346 1 109 ALA H 1 110 GLU H 4.000 . 5.000 2.427 2.329 2.664 . 0 0 "[ . 1 . 2]" 1
347 1 110 GLU H 1 111 GLU H 4.000 . 5.000 2.414 2.192 3.005 . 0 0 "[ . 1 . 2]" 1
348 1 111 GLU HB3 1 112 ALA H 4.000 . 5.000 2.635 2.457 2.770 . 0 0 "[ . 1 . 2]" 1
349 1 111 GLU HB2 1 112 ALA H 4.000 . 5.000 3.972 3.828 4.059 . 0 0 "[ . 1 . 2]" 1
350 1 111 GLU QG 1 112 ALA H 4.000 . 5.000 2.894 2.671 3.012 . 0 0 "[ . 1 . 2]" 1
351 1 111 GLU H 1 112 ALA HA 4.000 . 5.000 5.092 5.050 5.159 0.159 3 0 "[ . 1 . 2]" 1
352 1 111 GLU H 1 112 ALA H 3.500 . 4.000 2.465 2.391 2.561 . 0 0 "[ . 1 . 2]" 1
353 1 111 GLU HG3 1 112 ALA HA 3.500 . 4.000 3.918 3.470 4.021 0.021 20 0 "[ . 1 . 2]" 1
354 1 111 GLU HG2 1 112 ALA HA 3.500 . 4.000 3.419 3.202 3.664 . 0 0 "[ . 1 . 2]" 1
355 1 111 GLU HG3 1 112 ALA H 4.000 . 5.000 3.881 3.353 4.009 . 0 0 "[ . 1 . 2]" 1
356 1 111 GLU HG2 1 112 ALA H 4.000 . 5.000 2.989 2.802 3.117 . 0 0 "[ . 1 . 2]" 1
357 1 112 ALA MB 1 113 LYS H 4.500 . 5.500 2.737 2.535 3.022 . 0 0 "[ . 1 . 2]" 1
358 1 112 ALA H 1 113 LYS H 3.000 . 3.500 2.465 2.407 2.606 . 0 0 "[ . 1 . 2]" 1
359 1 113 LYS HA 1 114 LYS H 4.000 . 5.000 3.572 3.556 3.583 . 0 0 "[ . 1 . 2]" 1
360 1 114 LYS QB 1 115 PHE H 3.000 . 3.500 2.820 2.657 3.085 . 0 0 "[ . 1 . 2]" 1
361 1 114 LYS H 1 115 PHE H 3.500 . 4.000 2.657 2.578 2.747 . 0 0 "[ . 1 . 2]" 1
362 1 115 PHE HB3 1 116 LEU QD 6.000 . 7.000 3.275 1.909 4.205 . 0 0 "[ . 1 . 2]" 1
363 1 116 LEU HA 1 117 ALA H 4.000 . 5.000 2.945 2.236 3.518 . 0 0 "[ . 1 . 2]" 1
364 1 116 LEU QB 1 117 ALA H 4.000 . 5.000 3.511 2.770 3.904 . 0 0 "[ . 1 . 2]" 1
365 1 116 LEU QD 1 117 ALA H 4.000 . 5.000 4.360 3.036 4.636 . 0 0 "[ . 1 . 2]" 1
366 1 117 ALA HA 1 118 PRO HD3 3.000 . 3.500 2.365 2.182 2.684 . 0 0 "[ . 1 . 2]" 1
367 1 117 ALA HA 1 118 PRO HD2 3.000 . 3.500 2.390 2.065 2.478 . 0 0 "[ . 1 . 2]" 1
368 1 117 ALA HA 1 118 PRO QG 4.000 . 5.000 4.019 3.870 4.083 . 0 0 "[ . 1 . 2]" 1
369 1 117 ALA MB 1 118 PRO HD3 3.500 . 4.000 3.392 3.261 4.015 0.015 20 0 "[ . 1 . 2]" 1
370 1 117 ALA MB 1 118 PRO HD2 3.500 . 4.000 2.214 1.981 3.301 . 0 0 "[ . 1 . 2]" 1
371 1 118 PRO HB3 1 119 LYS H 4.000 . 5.000 3.704 3.169 4.327 . 0 0 "[ . 1 . 2]" 1
372 1 118 PRO HB2 1 119 LYS H 4.000 . 5.000 2.841 1.822 4.124 . 0 0 "[ . 1 . 2]" 1
373 1 119 LYS H 1 120 ASP H 4.000 . 5.000 3.324 1.797 4.637 0.003 19 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 444
_Distance_constraint_stats_list.Viol_count 246
_Distance_constraint_stats_list.Viol_total 264.499
_Distance_constraint_stats_list.Viol_max 0.232
_Distance_constraint_stats_list.Viol_rms 0.0126
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0015
_Distance_constraint_stats_list.Viol_average_violations_only 0.0538
_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 3 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 4 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 5 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 7 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 VAL 0.032 0.014 13 0 "[ . 1 . 2]"
1 12 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 VAL 0.150 0.044 17 0 "[ . 1 . 2]"
1 14 LYS 0.440 0.083 15 0 "[ . 1 . 2]"
1 15 GLN 0.138 0.074 11 0 "[ . 1 . 2]"
1 16 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 LYS 0.024 0.024 8 0 "[ . 1 . 2]"
1 19 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 21 GLU 0.089 0.022 14 0 "[ . 1 . 2]"
1 22 GLU 0.440 0.079 14 0 "[ . 1 . 2]"
1 24 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 LEU 0.124 0.020 11 0 "[ . 1 . 2]"
1 28 ILE 0.357 0.075 15 0 "[ . 1 . 2]"
1 29 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 31 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 32 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 33 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 34 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 37 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 ASN 0.098 0.083 17 0 "[ . 1 . 2]"
1 39 GLU 0.221 0.049 13 0 "[ . 1 . 2]"
1 40 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 41 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 42 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 43 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 44 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 45 LYS 0.035 0.008 11 0 "[ . 1 . 2]"
1 46 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 47 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 48 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 49 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 50 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 51 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 53 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 54 ARG 0.271 0.134 11 0 "[ . 1 . 2]"
1 55 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 56 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 58 ILE 0.021 0.021 2 0 "[ . 1 . 2]"
1 59 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 60 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 62 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 63 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 64 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 65 ARG 0.010 0.010 14 0 "[ . 1 . 2]"
1 66 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 67 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 68 ASN 0.144 0.026 5 0 "[ . 1 . 2]"
1 69 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 70 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 71 LYS 0.033 0.027 10 0 "[ . 1 . 2]"
1 72 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 73 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 74 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 75 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 76 LYS 0.026 0.026 16 0 "[ . 1 . 2]"
1 77 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 78 GLU 0.040 0.040 3 0 "[ . 1 . 2]"
1 79 ILE 0.070 0.070 11 0 "[ . 1 . 2]"
1 80 LYS 2.270 0.222 18 0 "[ . 1 . 2]"
1 81 GLN 0.816 0.079 18 0 "[ . 1 . 2]"
1 82 LEU 0.051 0.051 2 0 "[ . 1 . 2]"
1 83 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 85 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 86 TRP 2.700 0.232 11 0 "[ . 1 . 2]"
1 87 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 88 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 89 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 90 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 91 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 92 ASP 0.241 0.039 5 0 "[ . 1 . 2]"
1 94 ILE 0.093 0.036 14 0 "[ . 1 . 2]"
1 95 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 96 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 97 ILE 0.130 0.089 3 0 "[ . 1 . 2]"
1 99 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 100 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 101 GLU 0.114 0.085 8 0 "[ . 1 . 2]"
1 105 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 106 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 107 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 108 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 110 GLU 0.048 0.021 9 0 "[ . 1 . 2]"
1 111 GLU 1.853 0.178 6 0 "[ . 1 . 2]"
1 113 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 114 LYS 2.092 0.198 5 0 "[ . 1 . 2]"
1 115 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 116 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 117 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 118 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 119 LYS 0.051 0.051 11 0 "[ . 1 . 2]"
1 120 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 3 VAL H 1 3 VAL HB 4.000 . 5.000 3.105 2.658 3.974 . 0 0 "[ . 1 . 2]" 2
2 1 4 ASN H 1 4 ASN HB3 4.000 . 5.000 3.201 2.874 3.837 . 0 0 "[ . 1 . 2]" 2
3 1 4 ASN H 1 4 ASN HB2 4.000 . 5.000 2.834 2.604 3.107 . 0 0 "[ . 1 . 2]" 2
4 1 4 ASN HB3 1 4 ASN HD22 4.000 . 5.000 3.700 3.453 4.097 . 0 0 "[ . 1 . 2]" 2
5 1 4 ASN HB2 1 4 ASN HD22 4.000 . 5.000 3.857 3.448 4.093 . 0 0 "[ . 1 . 2]" 2
6 1 5 PRO HA 1 5 PRO HD3 4.000 . 5.000 3.705 3.460 3.836 . 0 0 "[ . 1 . 2]" 2
7 1 5 PRO HA 1 5 PRO HD2 4.000 . 5.000 3.944 3.921 4.083 . 0 0 "[ . 1 . 2]" 2
8 1 5 PRO HA 1 5 PRO HG3 4.000 . 5.000 3.115 2.935 4.040 . 0 0 "[ . 1 . 2]" 2
9 1 5 PRO HA 1 5 PRO HG2 3.500 . 4.000 3.935 3.861 4.000 . 0 0 "[ . 1 . 2]" 2
10 1 5 PRO HD3 1 5 PRO HG2 3.000 . 3.500 2.721 2.677 2.993 . 0 0 "[ . 1 . 2]" 2
11 1 5 PRO HD2 1 5 PRO HG2 3.000 . 3.500 2.312 2.276 2.324 . 0 0 "[ . 1 . 2]" 2
12 1 7 GLU HA 1 7 GLU QB 2.500 . 3.000 2.457 2.395 2.513 . 0 0 "[ . 1 . 2]" 2
13 1 7 GLU H 1 7 GLU QB 3.000 . 3.500 2.227 2.115 2.373 . 0 0 "[ . 1 . 2]" 2
14 1 7 GLU HA 1 7 GLU QG 3.500 . 4.000 2.296 2.114 2.449 . 0 0 "[ . 1 . 2]" 2
15 1 7 GLU H 1 7 GLU QG 4.000 . 5.000 2.985 2.487 4.027 . 0 0 "[ . 1 . 2]" 2
16 1 8 ASN H 1 8 ASN QB 3.000 . 3.500 2.179 2.060 2.664 . 0 0 "[ . 1 . 2]" 2
17 1 9 PHE HA 1 9 PHE QD 4.000 . 5.000 2.851 2.618 3.030 . 0 0 "[ . 1 . 2]" 2
18 1 9 PHE H 1 9 PHE QB 3.500 . 4.000 2.145 2.080 2.223 . 0 0 "[ . 1 . 2]" 2
19 1 10 ARG HB3 1 10 ARG HD3 3.500 . 4.000 2.816 2.420 3.704 . 0 0 "[ . 1 . 2]" 2
20 1 10 ARG HB3 1 10 ARG HD2 3.500 . 4.000 3.125 2.437 3.802 . 0 0 "[ . 1 . 2]" 2
21 1 10 ARG HB2 1 10 ARG HD3 3.500 . 4.000 2.982 2.244 3.720 . 0 0 "[ . 1 . 2]" 2
22 1 10 ARG HB2 1 10 ARG HD2 4.000 . 5.000 2.838 2.326 3.647 . 0 0 "[ . 1 . 2]" 2
23 1 10 ARG HA 1 10 ARG HG2 4.000 . 5.000 2.461 2.337 2.651 . 0 0 "[ . 1 . 2]" 2
24 1 10 ARG H 1 10 ARG HB3 4.000 . 5.000 3.526 3.494 3.583 . 0 0 "[ . 1 . 2]" 2
25 1 11 VAL HA 1 11 VAL MG1 3.500 . 4.000 2.563 2.273 3.207 . 0 0 "[ . 1 . 2]" 2
26 1 11 VAL H 1 11 VAL MG1 4.500 . 5.500 2.856 1.924 3.789 . 0 0 "[ . 1 . 2]" 2
27 1 11 VAL HA 1 11 VAL MG2 3.000 . 3.500 2.651 2.154 3.204 . 0 0 "[ . 1 . 2]" 2
28 1 11 VAL H 1 11 VAL MG2 4.000 . 5.000 2.508 1.786 3.797 0.014 13 0 "[ . 1 . 2]" 2
29 1 11 VAL H 1 11 VAL HB 3.500 . 4.000 2.921 2.350 3.651 . 0 0 "[ . 1 . 2]" 2
30 1 12 LEU HA 1 12 LEU MD1 4.000 . 5.000 3.214 2.011 3.863 . 0 0 "[ . 1 . 2]" 2
31 1 12 LEU HA 1 12 LEU MD2 4.500 . 5.500 3.338 2.233 4.094 . 0 0 "[ . 1 . 2]" 2
32 1 12 LEU HB2 1 12 LEU MD1 3.000 . 3.500 2.144 2.004 2.333 . 0 0 "[ . 1 . 2]" 2
33 1 12 LEU HB2 1 12 LEU MD2 3.000 . 3.500 2.930 2.395 3.172 . 0 0 "[ . 1 . 2]" 2
34 1 12 LEU H 1 12 LEU HB3 4.000 . 5.000 2.934 2.343 3.476 . 0 0 "[ . 1 . 2]" 2
35 1 12 LEU H 1 12 LEU HB2 4.000 . 5.000 2.365 2.053 3.580 . 0 0 "[ . 1 . 2]" 2
36 1 12 LEU H 1 12 LEU MD1 4.500 . 5.500 3.755 3.025 4.094 . 0 0 "[ . 1 . 2]" 2
37 1 12 LEU H 1 12 LEU MD2 4.500 . 5.500 4.183 2.855 4.434 . 0 0 "[ . 1 . 2]" 2
38 1 13 VAL H 1 13 VAL HB 4.000 . 5.000 3.683 3.635 3.726 . 0 0 "[ . 1 . 2]" 2
39 1 13 VAL H 1 13 VAL MG1 4.500 . 5.500 2.604 2.336 2.875 . 0 0 "[ . 1 . 2]" 2
40 1 13 VAL H 1 13 VAL MG2 4.000 . 5.000 1.864 1.756 2.035 0.044 17 0 "[ . 1 . 2]" 2
41 1 14 LYS H 1 14 LYS QB 3.000 . 3.500 2.339 2.045 2.534 . 0 0 "[ . 1 . 2]" 2
42 1 14 LYS H 1 14 LYS QG 3.500 . 4.000 3.720 2.894 4.083 0.083 15 0 "[ . 1 . 2]" 2
43 1 15 GLN H 1 15 GLN HB2 3.500 . 4.000 3.095 2.142 3.710 . 0 0 "[ . 1 . 2]" 2
44 1 15 GLN HA 1 15 GLN HG2 3.500 . 4.000 3.223 2.276 3.814 . 0 0 "[ . 1 . 2]" 2
45 1 15 GLN HB3 1 15 GLN HG2 3.000 . 3.500 2.652 2.219 3.011 . 0 0 "[ . 1 . 2]" 2
46 1 15 GLN H 1 15 GLN HG2 3.500 . 4.000 2.661 1.726 3.820 0.074 11 0 "[ . 1 . 2]" 2
47 1 16 LYS H 1 16 LYS HA 2.500 . 3.000 2.773 2.508 2.911 . 0 0 "[ . 1 . 2]" 2
48 1 16 LYS H 1 16 LYS QB 3.500 . 4.000 3.199 2.654 3.452 . 0 0 "[ . 1 . 2]" 2
49 1 16 LYS H 1 16 LYS QG 4.000 . 5.000 3.335 2.521 4.275 . 0 0 "[ . 1 . 2]" 2
50 1 17 LYS HA 1 17 LYS HB2 3.000 . 3.500 2.841 2.495 3.024 . 0 0 "[ . 1 . 2]" 2
51 1 17 LYS HA 1 17 LYS QD 3.500 . 4.000 3.548 2.311 4.024 0.024 8 0 "[ . 1 . 2]" 2
52 1 17 LYS HA 1 17 LYS QG 3.500 . 4.000 2.471 2.014 3.389 . 0 0 "[ . 1 . 2]" 2
53 1 17 LYS H 1 17 LYS HB3 4.000 . 5.000 3.549 2.784 3.866 . 0 0 "[ . 1 . 2]" 2
54 1 17 LYS H 1 17 LYS HB2 4.000 . 5.000 2.902 2.068 4.076 . 0 0 "[ . 1 . 2]" 2
55 1 19 SER H 1 19 SER HB3 4.000 . 5.000 3.792 2.791 4.071 . 0 0 "[ . 1 . 2]" 2
56 1 19 SER H 1 19 SER HB2 4.000 . 5.000 3.455 2.394 3.982 . 0 0 "[ . 1 . 2]" 2
57 1 20 PHE H 1 20 PHE QB 3.500 . 4.000 2.471 2.096 3.068 . 0 0 "[ . 1 . 2]" 2
58 1 20 PHE HA 1 20 PHE QD 4.000 . 5.000 2.770 2.372 3.047 . 0 0 "[ . 1 . 2]" 2
59 1 21 GLU H 1 21 GLU HB3 3.500 . 4.000 3.159 2.896 3.423 . 0 0 "[ . 1 . 2]" 2
60 1 21 GLU HA 1 21 GLU HB2 3.000 . 3.500 2.744 2.610 2.846 . 0 0 "[ . 1 . 2]" 2
61 1 21 GLU H 1 21 GLU HB2 4.000 . 5.000 2.417 2.070 2.741 . 0 0 "[ . 1 . 2]" 2
62 1 21 GLU HA 1 21 GLU HG3 3.000 . 3.500 2.434 2.147 3.264 . 0 0 "[ . 1 . 2]" 2
63 1 21 GLU HA 1 21 GLU HG2 3.000 . 3.500 2.680 2.182 3.468 . 0 0 "[ . 1 . 2]" 2
64 1 21 GLU H 1 21 GLU QG 3.500 . 4.000 3.894 3.575 4.022 0.022 14 0 "[ . 1 . 2]" 2
65 1 21 GLU H 1 21 GLU HG3 4.000 . 5.000 4.190 3.764 4.346 . 0 0 "[ . 1 . 2]" 2
66 1 21 GLU H 1 21 GLU HG2 4.000 . 5.000 4.640 4.230 4.790 . 0 0 "[ . 1 . 2]" 2
67 1 22 GLU H 1 22 GLU HB3 3.000 . 3.500 3.452 2.786 3.579 0.079 14 0 "[ . 1 . 2]" 2
68 1 22 GLU H 1 22 GLU HB2 3.000 . 3.500 2.350 2.052 3.554 0.054 17 0 "[ . 1 . 2]" 2
69 1 22 GLU H 1 22 GLU QG 3.000 . 3.500 2.742 1.864 3.510 0.010 20 0 "[ . 1 . 2]" 2
70 1 24 SER H 1 24 SER HB3 4.000 . 5.000 3.115 2.156 3.605 . 0 0 "[ . 1 . 2]" 2
71 1 24 SER H 1 24 SER HB2 4.000 . 5.000 2.845 2.202 3.600 . 0 0 "[ . 1 . 2]" 2
72 1 25 ASN H 1 25 ASN HB3 4.000 . 5.000 3.500 3.453 3.550 . 0 0 "[ . 1 . 2]" 2
73 1 25 ASN H 1 25 ASN HB2 4.000 . 5.000 2.199 2.140 2.291 . 0 0 "[ . 1 . 2]" 2
74 1 26 GLN HA 1 26 GLN HG3 4.000 . 5.000 2.659 2.209 3.665 . 0 0 "[ . 1 . 2]" 2
75 1 26 GLN HA 1 26 GLN HG2 4.000 . 5.000 2.682 2.287 3.654 . 0 0 "[ . 1 . 2]" 2
76 1 26 GLN QB 1 26 GLN HG3 2.500 . 3.000 2.350 2.148 2.473 . 0 0 "[ . 1 . 2]" 2
77 1 26 GLN H 1 26 GLN QB 2.500 . 3.000 2.152 2.045 2.234 . 0 0 "[ . 1 . 2]" 2
78 1 26 GLN H 1 26 GLN HG3 4.000 . 5.000 3.434 2.737 4.483 . 0 0 "[ . 1 . 2]" 2
79 1 26 GLN H 1 26 GLN HG2 4.000 . 5.000 4.117 2.715 4.626 . 0 0 "[ . 1 . 2]" 2
80 1 27 LEU HA 1 27 LEU MD1 4.500 . 5.500 2.984 2.371 3.767 . 0 0 "[ . 1 . 2]" 2
81 1 27 LEU HA 1 27 LEU MD2 4.000 . 5.000 2.096 1.941 2.275 . 0 0 "[ . 1 . 2]" 2
82 1 27 LEU HA 1 27 LEU HG 3.500 . 4.000 3.232 2.389 3.658 . 0 0 "[ . 1 . 2]" 2
83 1 27 LEU HB3 1 27 LEU HG 2.500 . 3.000 2.656 2.441 3.020 0.020 11 0 "[ . 1 . 2]" 2
84 1 27 LEU H 1 27 LEU HB3 4.000 . 5.000 3.085 2.930 3.310 . 0 0 "[ . 1 . 2]" 2
85 1 27 LEU H 1 27 LEU HB2 4.000 . 5.000 2.099 2.053 2.159 . 0 0 "[ . 1 . 2]" 2
86 1 27 LEU H 1 27 LEU MD1 4.500 . 5.500 4.171 3.761 4.312 . 0 0 "[ . 1 . 2]" 2
87 1 27 LEU H 1 27 LEU MD2 4.500 . 5.500 3.660 3.168 4.239 . 0 0 "[ . 1 . 2]" 2
88 1 27 LEU H 1 27 LEU HG 4.000 . 5.000 4.178 3.496 4.490 . 0 0 "[ . 1 . 2]" 2
89 1 28 ILE HA 1 28 ILE HG13 4.000 . 5.000 2.328 2.151 3.722 . 0 0 "[ . 1 . 2]" 2
90 1 28 ILE HA 1 28 ILE MD 3.000 . 3.500 2.787 1.992 3.575 0.075 15 0 "[ . 1 . 2]" 2
91 1 28 ILE HA 1 28 ILE HG12 4.000 . 5.000 3.368 3.008 3.531 . 0 0 "[ . 1 . 2]" 2
92 1 28 ILE HA 1 28 ILE MG 3.500 . 4.000 2.867 2.358 3.112 . 0 0 "[ . 1 . 2]" 2
93 1 28 ILE H 1 28 ILE MG 4.500 . 5.500 3.247 2.904 3.757 . 0 0 "[ . 1 . 2]" 2
94 1 28 ILE H 1 28 ILE HB 4.000 . 5.000 2.231 2.134 2.533 . 0 0 "[ . 1 . 2]" 2
95 1 28 ILE H 1 28 ILE MD 4.500 . 5.500 3.049 2.542 3.324 . 0 0 "[ . 1 . 2]" 2
96 1 28 ILE H 1 28 ILE HG13 4.000 . 5.000 3.833 2.858 4.399 . 0 0 "[ . 1 . 2]" 2
97 1 28 ILE H 1 28 ILE HG12 4.000 . 5.000 4.293 2.066 4.622 . 0 0 "[ . 1 . 2]" 2
98 1 29 ASN HA 1 29 ASN HB2 3.000 . 3.500 2.757 2.653 2.952 . 0 0 "[ . 1 . 2]" 2
99 1 29 ASN H 1 29 ASN QB 3.000 . 3.500 2.101 2.059 2.145 . 0 0 "[ . 1 . 2]" 2
100 1 29 ASN H 1 29 ASN HB3 3.500 . 4.000 3.087 2.898 3.445 . 0 0 "[ . 1 . 2]" 2
101 1 29 ASN H 1 29 ASN HB2 3.000 . 3.500 2.141 2.078 2.210 . 0 0 "[ . 1 . 2]" 2
102 1 30 HIS HB3 1 30 HIS HD2 4.000 . 5.000 3.139 2.690 3.891 . 0 0 "[ . 1 . 2]" 2
103 1 30 HIS H 1 30 HIS HB3 3.500 . 4.000 3.351 3.168 3.485 . 0 0 "[ . 1 . 2]" 2
104 1 30 HIS HB2 1 30 HIS HD2 4.000 . 5.000 3.306 2.691 3.748 . 0 0 "[ . 1 . 2]" 2
105 1 30 HIS H 1 30 HIS HB2 4.000 . 5.000 2.114 2.070 2.173 . 0 0 "[ . 1 . 2]" 2
106 1 31 ILE HA 1 31 ILE HG13 4.000 . 5.000 2.863 2.797 2.915 . 0 0 "[ . 1 . 2]" 2
107 1 31 ILE HA 1 31 ILE MD 4.000 . 5.000 3.857 3.828 3.880 . 0 0 "[ . 1 . 2]" 2
108 1 31 ILE HA 1 31 ILE HG12 4.000 . 5.000 2.604 2.521 2.685 . 0 0 "[ . 1 . 2]" 2
109 1 31 ILE HA 1 31 ILE MG 3.500 . 4.000 2.397 2.358 2.442 . 0 0 "[ . 1 . 2]" 2
110 1 31 ILE MD 1 31 ILE MG 3.500 . 4.000 2.126 1.957 2.198 . 0 0 "[ . 1 . 2]" 2
111 1 31 ILE H 1 31 ILE MG 4.000 . 5.000 3.771 3.765 3.776 . 0 0 "[ . 1 . 2]" 2
112 1 31 ILE H 1 31 ILE HB 4.000 . 5.000 2.537 2.494 2.597 . 0 0 "[ . 1 . 2]" 2
113 1 31 ILE H 1 31 ILE MD 4.500 . 5.500 3.457 3.326 3.581 . 0 0 "[ . 1 . 2]" 2
114 1 31 ILE H 1 31 ILE HG13 4.000 . 5.000 2.113 2.002 2.200 . 0 0 "[ . 1 . 2]" 2
115 1 32 GLU HA 1 32 GLU HG2 4.000 . 5.000 2.467 2.143 3.576 . 0 0 "[ . 1 . 2]" 2
116 1 32 GLU HA 1 32 GLU HB3 3.000 . 3.500 2.603 2.467 2.741 . 0 0 "[ . 1 . 2]" 2
117 1 32 GLU H 1 32 GLU QB 2.500 . 3.000 2.296 2.122 2.450 . 0 0 "[ . 1 . 2]" 2
118 1 32 GLU HA 1 32 GLU HG3 3.000 . 3.500 2.933 2.336 3.472 . 0 0 "[ . 1 . 2]" 2
119 1 32 GLU H 1 32 GLU HG3 4.000 . 5.000 2.630 2.276 3.998 . 0 0 "[ . 1 . 2]" 2
120 1 32 GLU H 1 32 GLU HG2 4.000 . 5.000 3.621 3.237 4.126 . 0 0 "[ . 1 . 2]" 2
121 1 33 GLN H 1 33 GLN QB 2.500 . 3.000 2.231 2.095 2.367 . 0 0 "[ . 1 . 2]" 2
122 1 33 GLN H 1 33 GLN HG3 3.500 . 4.000 2.927 2.517 3.875 . 0 0 "[ . 1 . 2]" 2
123 1 33 GLN H 1 33 GLN HG2 3.500 . 4.000 3.603 2.498 4.000 . 0 0 "[ . 1 . 2]" 2
124 1 34 PHE HA 1 34 PHE QD 3.000 . 3.500 2.436 2.028 2.865 . 0 0 "[ . 1 . 2]" 2
125 1 34 PHE H 1 34 PHE HB3 4.000 . 5.000 3.546 3.513 3.593 . 0 0 "[ . 1 . 2]" 2
126 1 34 PHE H 1 34 PHE HB2 4.000 . 5.000 2.287 2.216 2.465 . 0 0 "[ . 1 . 2]" 2
127 1 35 LEU HA 1 35 LEU MD1 4.000 . 5.000 3.727 2.025 3.896 . 0 0 "[ . 1 . 2]" 2
128 1 35 LEU HA 1 35 LEU MD2 4.500 . 5.500 2.444 2.068 2.653 . 0 0 "[ . 1 . 2]" 2
129 1 35 LEU HA 1 35 LEU HG 4.000 . 5.000 2.619 2.372 3.654 . 0 0 "[ . 1 . 2]" 2
130 1 35 LEU H 1 35 LEU HB3 4.000 . 5.000 3.532 3.338 3.615 . 0 0 "[ . 1 . 2]" 2
131 1 35 LEU H 1 35 LEU HB2 3.500 . 4.000 2.287 2.072 2.479 . 0 0 "[ . 1 . 2]" 2
132 1 35 LEU H 1 35 LEU MD1 4.500 . 5.500 3.242 2.918 4.139 . 0 0 "[ . 1 . 2]" 2
133 1 35 LEU H 1 35 LEU MD2 4.500 . 5.500 3.997 2.622 4.260 . 0 0 "[ . 1 . 2]" 2
134 1 35 LEU H 1 35 LEU HG 4.000 . 5.000 2.911 2.515 4.168 . 0 0 "[ . 1 . 2]" 2
135 1 36 ASP HA 1 36 ASP HB3 3.000 . 3.500 3.015 2.996 3.025 . 0 0 "[ . 1 . 2]" 2
136 1 36 ASP HA 1 36 ASP HB2 3.000 . 3.500 2.559 2.495 2.626 . 0 0 "[ . 1 . 2]" 2
137 1 36 ASP H 1 36 ASP HB3 3.000 . 3.500 2.720 2.620 2.837 . 0 0 "[ . 1 . 2]" 2
138 1 36 ASP H 1 36 ASP HB2 2.500 . 3.000 2.395 2.294 2.462 . 0 0 "[ . 1 . 2]" 2
139 1 37 THR HA 1 37 THR MG 3.500 . 4.000 2.101 1.947 2.366 . 0 0 "[ . 1 . 2]" 2
140 1 37 THR H 1 37 THR HB 4.000 . 5.000 3.459 3.154 3.812 . 0 0 "[ . 1 . 2]" 2
141 1 37 THR H 1 37 THR MG 4.000 . 5.000 3.499 2.794 3.867 . 0 0 "[ . 1 . 2]" 2
142 1 38 ASN H 1 38 ASN HA 3.000 . 3.500 2.788 2.272 2.894 . 0 0 "[ . 1 . 2]" 2
143 1 38 ASN H 1 38 ASN HB3 4.000 . 5.000 3.110 2.682 4.184 . 0 0 "[ . 1 . 2]" 2
144 1 38 ASN HB2 1 38 ASN HD22 3.500 . 4.000 3.682 3.438 4.083 0.083 17 0 "[ . 1 . 2]" 2
145 1 38 ASN H 1 38 ASN HB2 4.000 . 5.000 2.765 2.166 3.745 . 0 0 "[ . 1 . 2]" 2
146 1 38 ASN HB3 1 38 ASN HD22 4.000 . 5.000 3.839 3.443 4.099 . 0 0 "[ . 1 . 2]" 2
147 1 39 GLU H 1 39 GLU HG3 4.000 . 5.000 4.332 3.039 5.049 0.049 13 0 "[ . 1 . 2]" 2
148 1 39 GLU H 1 39 GLU HG2 4.000 . 5.000 3.660 3.054 4.160 . 0 0 "[ . 1 . 2]" 2
149 1 40 THR HA 1 40 THR HB 3.000 . 3.500 3.011 2.994 3.022 . 0 0 "[ . 1 . 2]" 2
150 1 40 THR H 1 40 THR HB 4.000 . 5.000 2.736 2.514 2.921 . 0 0 "[ . 1 . 2]" 2
151 1 41 PRO HB3 1 41 PRO HD2 3.500 . 4.000 3.879 3.866 3.898 . 0 0 "[ . 1 . 2]" 2
152 1 41 PRO HB2 1 41 PRO HD3 4.000 . 5.000 3.913 3.871 4.029 . 0 0 "[ . 1 . 2]" 2
153 1 41 PRO HB2 1 41 PRO HD2 4.000 . 5.000 3.228 2.939 4.041 . 0 0 "[ . 1 . 2]" 2
154 1 41 PRO HB3 1 41 PRO HD3 4.000 . 5.000 3.795 2.980 4.054 . 0 0 "[ . 1 . 2]" 2
155 1 42 TYR H 1 42 TYR QB 3.500 . 4.000 2.209 2.131 2.431 . 0 0 "[ . 1 . 2]" 2
156 1 42 TYR HA 1 42 TYR QD 4.000 . 5.000 2.967 2.684 3.467 . 0 0 "[ . 1 . 2]" 2
157 1 43 PHE H 1 43 PHE HB3 4.000 . 5.000 3.512 3.435 3.565 . 0 0 "[ . 1 . 2]" 2
158 1 43 PHE H 1 43 PHE HB2 4.000 . 5.000 2.220 2.150 2.322 . 0 0 "[ . 1 . 2]" 2
159 1 44 MET HA 1 44 MET ME 4.500 . 5.500 4.395 3.509 4.578 . 0 0 "[ . 1 . 2]" 2
160 1 44 MET H 1 44 MET QB 3.500 . 4.000 2.278 2.060 2.436 . 0 0 "[ . 1 . 2]" 2
161 1 44 MET H 1 44 MET QG 4.000 . 5.000 2.724 2.229 3.981 . 0 0 "[ . 1 . 2]" 2
162 1 45 LYS H 1 45 LYS HB2 3.500 . 4.000 2.259 2.096 2.366 . 0 0 "[ . 1 . 2]" 2
163 1 45 LYS HB3 1 45 LYS HD3 4.000 . 5.000 3.233 3.004 3.515 . 0 0 "[ . 1 . 2]" 2
164 1 45 LYS H 1 45 LYS HD3 4.000 . 5.000 4.916 4.248 5.008 0.008 11 0 "[ . 1 . 2]" 2
165 1 45 LYS HA 1 45 LYS HG3 3.500 . 4.000 2.165 2.081 2.308 . 0 0 "[ . 1 . 2]" 2
166 1 45 LYS H 1 45 LYS HB3 4.000 . 5.000 2.892 2.743 3.268 . 0 0 "[ . 1 . 2]" 2
167 1 45 LYS HE3 1 45 LYS HG3 3.500 . 4.000 2.650 2.104 3.696 . 0 0 "[ . 1 . 2]" 2
168 1 45 LYS HE2 1 45 LYS HG3 3.500 . 4.000 2.743 2.273 3.496 . 0 0 "[ . 1 . 2]" 2
169 1 46 SER H 1 46 SER HB3 3.500 . 4.000 3.479 3.127 3.596 . 0 0 "[ . 1 . 2]" 2
170 1 46 SER H 1 46 SER HB2 4.000 . 5.000 2.942 2.556 3.471 . 0 0 "[ . 1 . 2]" 2
171 1 47 ILE HA 1 47 ILE MD 4.000 . 5.000 3.831 2.049 3.972 . 0 0 "[ . 1 . 2]" 2
172 1 47 ILE HA 1 47 ILE HG13 4.000 . 5.000 2.921 2.642 3.771 . 0 0 "[ . 1 . 2]" 2
173 1 47 ILE HA 1 47 ILE HG12 4.000 . 5.000 2.858 2.612 3.059 . 0 0 "[ . 1 . 2]" 2
174 1 47 ILE MD 1 47 ILE MG 3.500 . 4.000 2.259 1.986 2.554 . 0 0 "[ . 1 . 2]" 2
175 1 47 ILE H 1 47 ILE MD 4.500 . 5.500 3.140 2.725 3.432 . 0 0 "[ . 1 . 2]" 2
176 1 47 ILE H 1 47 ILE HB 3.500 . 4.000 2.687 2.595 2.783 . 0 0 "[ . 1 . 2]" 2
177 1 48 ASP H 1 48 ASP HB3 3.000 . 3.500 3.213 2.761 3.497 . 0 0 "[ . 1 . 2]" 2
178 1 48 ASP H 1 48 ASP HB2 3.500 . 4.000 2.160 2.087 2.334 . 0 0 "[ . 1 . 2]" 2
179 1 49 CYS H 1 49 CYS HB3 4.000 . 5.000 3.515 3.487 3.639 . 0 0 "[ . 1 . 2]" 2
180 1 49 CYS H 1 49 CYS HB2 4.000 . 5.000 2.235 2.192 2.468 . 0 0 "[ . 1 . 2]" 2
181 1 50 ILE HA 1 50 ILE MD 4.500 . 5.500 3.606 3.528 3.672 . 0 0 "[ . 1 . 2]" 2
182 1 50 ILE HA 1 50 ILE HG13 4.000 . 5.000 2.139 2.047 2.250 . 0 0 "[ . 1 . 2]" 2
183 1 50 ILE HA 1 50 ILE HG12 4.000 . 5.000 2.924 2.848 3.026 . 0 0 "[ . 1 . 2]" 2
184 1 50 ILE HB 1 50 ILE MD 3.500 . 4.000 2.294 2.125 2.409 . 0 0 "[ . 1 . 2]" 2
185 1 50 ILE H 1 50 ILE HB 4.000 . 5.000 2.192 2.067 2.325 . 0 0 "[ . 1 . 2]" 2
186 1 50 ILE H 1 50 ILE MD 4.500 . 5.500 4.117 3.778 4.305 . 0 0 "[ . 1 . 2]" 2
187 1 50 ILE H 1 50 ILE HG13 4.000 . 5.000 4.035 3.660 4.245 . 0 0 "[ . 1 . 2]" 2
188 1 50 ILE H 1 50 ILE HG12 4.000 . 5.000 4.610 4.529 4.639 . 0 0 "[ . 1 . 2]" 2
189 1 50 ILE H 1 50 ILE MG 4.500 . 5.500 2.802 2.577 3.189 . 0 0 "[ . 1 . 2]" 2
190 1 51 ARG HB3 1 51 ARG QD 3.000 . 3.500 2.184 1.917 2.715 . 0 0 "[ . 1 . 2]" 2
191 1 51 ARG HB2 1 51 ARG QD 3.000 . 3.500 3.062 2.753 3.415 . 0 0 "[ . 1 . 2]" 2
192 1 51 ARG H 1 51 ARG QB 3.000 . 3.500 2.245 2.156 2.361 . 0 0 "[ . 1 . 2]" 2
193 1 51 ARG HA 1 51 ARG QD 4.000 . 5.000 3.314 2.704 4.068 . 0 0 "[ . 1 . 2]" 2
194 1 51 ARG HA 1 51 ARG HG3 4.000 . 5.000 3.487 3.359 3.605 . 0 0 "[ . 1 . 2]" 2
195 1 51 ARG H 1 51 ARG HG3 4.000 . 5.000 3.203 2.689 3.663 . 0 0 "[ . 1 . 2]" 2
196 1 51 ARG HA 1 51 ARG HG2 3.500 . 4.000 2.254 2.200 2.335 . 0 0 "[ . 1 . 2]" 2
197 1 51 ARG QD 1 51 ARG HG2 2.500 . 3.000 2.271 2.141 2.482 . 0 0 "[ . 1 . 2]" 2
198 1 51 ARG H 1 51 ARG QD 4.000 . 5.000 4.513 4.303 4.652 . 0 0 "[ . 1 . 2]" 2
199 1 51 ARG HB3 1 51 ARG HG3 2.500 . 3.000 2.843 2.698 2.963 . 0 0 "[ . 1 . 2]" 2
200 1 51 ARG H 1 51 ARG HB3 3.500 . 4.000 3.541 3.479 3.591 . 0 0 "[ . 1 . 2]" 2
201 1 51 ARG H 1 51 ARG HG2 4.000 . 5.000 3.241 3.053 3.371 . 0 0 "[ . 1 . 2]" 2
202 1 53 PHE H 1 53 PHE HB3 4.000 . 5.000 2.791 2.617 2.864 . 0 0 "[ . 1 . 2]" 2
203 1 53 PHE H 1 53 PHE HB2 4.000 . 5.000 2.336 2.251 2.503 . 0 0 "[ . 1 . 2]" 2
204 1 54 ARG HB3 1 54 ARG HD3 4.000 . 5.000 2.989 2.287 3.624 . 0 0 "[ . 1 . 2]" 2
205 1 54 ARG HB3 1 54 ARG HD2 4.000 . 5.000 2.879 2.070 3.802 . 0 0 "[ . 1 . 2]" 2
206 1 54 ARG H 1 54 ARG HB3 3.500 . 4.000 3.089 2.382 3.582 . 0 0 "[ . 1 . 2]" 2
207 1 54 ARG HB2 1 54 ARG HD3 4.000 . 5.000 3.275 2.180 4.191 . 0 0 "[ . 1 . 2]" 2
208 1 54 ARG HB2 1 54 ARG HD2 3.500 . 4.000 3.102 1.934 3.716 . 0 0 "[ . 1 . 2]" 2
209 1 54 ARG HA 1 54 ARG HG3 4.000 . 5.000 3.140 2.592 3.582 . 0 0 "[ . 1 . 2]" 2
210 1 54 ARG HA 1 54 ARG HG2 3.500 . 4.000 2.605 2.236 4.134 0.134 11 0 "[ . 1 . 2]" 2
211 1 54 ARG H 1 54 ARG HB2 4.000 . 5.000 2.471 2.079 3.612 . 0 0 "[ . 1 . 2]" 2
212 1 55 GLU H 1 55 GLU HB2 4.000 . 5.000 2.314 2.123 3.602 . 0 0 "[ . 1 . 2]" 2
213 1 56 GLU HA 1 56 GLU HG2 4.000 . 5.000 2.309 2.207 2.450 . 0 0 "[ . 1 . 2]" 2
214 1 56 GLU H 1 56 GLU HG3 3.000 . 3.500 3.122 2.750 3.367 . 0 0 "[ . 1 . 2]" 2
215 1 56 GLU H 1 56 GLU HB3 4.000 . 5.000 3.556 3.536 3.582 . 0 0 "[ . 1 . 2]" 2
216 1 56 GLU H 1 56 GLU HB2 4.000 . 5.000 2.312 2.265 2.401 . 0 0 "[ . 1 . 2]" 2
217 1 56 GLU H 1 56 GLU HG2 4.000 . 5.000 2.909 2.611 3.153 . 0 0 "[ . 1 . 2]" 2
218 1 58 ILE HB 1 58 ILE MD 3.500 . 4.000 2.372 2.171 3.232 . 0 0 "[ . 1 . 2]" 2
219 1 58 ILE HA 1 58 ILE MD 4.000 . 5.000 3.461 2.065 3.941 . 0 0 "[ . 1 . 2]" 2
220 1 58 ILE HA 1 58 ILE HG13 3.500 . 4.000 3.198 2.281 3.739 . 0 0 "[ . 1 . 2]" 2
221 1 58 ILE HA 1 58 ILE HG12 4.000 . 5.000 3.481 2.597 4.176 . 0 0 "[ . 1 . 2]" 2
222 1 58 ILE H 1 58 ILE MG 4.500 . 5.500 3.035 2.011 3.774 . 0 0 "[ . 1 . 2]" 2
223 1 58 ILE H 1 58 ILE HB 3.500 . 4.000 3.008 2.290 3.640 . 0 0 "[ . 1 . 2]" 2
224 1 58 ILE H 1 58 ILE MD 4.500 . 5.500 3.417 1.779 4.007 0.021 2 0 "[ . 1 . 2]" 2
225 1 58 ILE H 1 58 ILE HG13 4.000 . 5.000 2.652 2.082 3.732 . 0 0 "[ . 1 . 2]" 2
226 1 59 LYS HA 1 59 LYS HG3 4.000 . 5.000 3.172 2.835 3.583 . 0 0 "[ . 1 . 2]" 2
227 1 59 LYS H 1 59 LYS HB3 3.500 . 4.000 3.525 3.494 3.556 . 0 0 "[ . 1 . 2]" 2
228 1 59 LYS H 1 59 LYS HB2 3.000 . 3.500 2.243 2.192 2.308 . 0 0 "[ . 1 . 2]" 2
229 1 59 LYS H 1 59 LYS HG2 3.500 . 4.000 3.463 2.828 3.833 . 0 0 "[ . 1 . 2]" 2
230 1 59 LYS H 1 59 LYS HG3 4.000 . 5.000 3.020 2.633 3.510 . 0 0 "[ . 1 . 2]" 2
231 1 60 PHE HA 1 60 PHE QD 4.000 . 5.000 3.698 3.665 3.721 . 0 0 "[ . 1 . 2]" 2
232 1 60 PHE H 1 60 PHE HB3 4.000 . 5.000 3.723 3.567 3.864 . 0 0 "[ . 1 . 2]" 2
233 1 60 PHE H 1 60 PHE HB2 4.000 . 5.000 4.018 3.914 4.105 . 0 0 "[ . 1 . 2]" 2
234 1 62 GLU HA 1 62 GLU HG3 4.000 . 5.000 3.311 2.496 3.922 . 0 0 "[ . 1 . 2]" 2
235 1 62 GLU H 1 62 GLU HB2 4.000 . 5.000 2.660 2.285 2.791 . 0 0 "[ . 1 . 2]" 2
236 1 62 GLU H 1 62 GLU HG3 4.000 . 5.000 3.625 2.967 4.360 . 0 0 "[ . 1 . 2]" 2
237 1 62 GLU H 1 62 GLU HG2 4.000 . 5.000 3.732 2.240 4.406 . 0 0 "[ . 1 . 2]" 2
238 1 62 GLU H 1 62 GLU HB3 4.000 . 5.000 3.769 3.511 3.852 . 0 0 "[ . 1 . 2]" 2
239 1 63 GLU HA 1 63 GLU HG3 4.000 . 5.000 4.016 3.726 4.245 . 0 0 "[ . 1 . 2]" 2
240 1 63 GLU HA 1 63 GLU HG2 4.000 . 5.000 3.631 3.544 3.728 . 0 0 "[ . 1 . 2]" 2
241 1 63 GLU H 1 63 GLU HB3 4.000 . 5.000 2.643 2.406 2.944 . 0 0 "[ . 1 . 2]" 2
242 1 63 GLU H 1 63 GLU HB2 3.500 . 4.000 3.589 3.569 3.598 . 0 0 "[ . 1 . 2]" 2
243 1 63 GLU H 1 63 GLU HG2 4.000 . 5.000 2.241 1.851 3.460 . 0 0 "[ . 1 . 2]" 2
244 1 64 GLN HA 1 64 GLN QB 2.500 . 3.000 2.417 2.307 2.530 . 0 0 "[ . 1 . 2]" 2
245 1 64 GLN H 1 64 GLN QB 3.000 . 3.500 2.329 2.065 2.593 . 0 0 "[ . 1 . 2]" 2
246 1 64 GLN HA 1 64 GLN QG 3.500 . 4.000 2.350 2.167 2.539 . 0 0 "[ . 1 . 2]" 2
247 1 64 GLN H 1 64 GLN QG 4.000 . 5.000 2.673 1.977 3.946 . 0 0 "[ . 1 . 2]" 2
248 1 65 ARG H 1 65 ARG QB 3.000 . 3.500 2.245 2.194 2.295 . 0 0 "[ . 1 . 2]" 2
249 1 65 ARG HA 1 65 ARG HB3 3.000 . 3.500 3.007 2.716 3.025 . 0 0 "[ . 1 . 2]" 2
250 1 65 ARG HB3 1 65 ARG HD3 4.000 . 5.000 3.012 2.509 3.690 . 0 0 "[ . 1 . 2]" 2
251 1 65 ARG HB2 1 65 ARG HD3 4.000 . 5.000 3.544 3.355 3.710 . 0 0 "[ . 1 . 2]" 2
252 1 65 ARG H 1 65 ARG HB3 3.000 . 3.500 2.402 2.216 2.651 . 0 0 "[ . 1 . 2]" 2
253 1 65 ARG H 1 65 ARG HB2 3.000 . 3.500 2.745 2.492 3.510 0.010 14 0 "[ . 1 . 2]" 2
254 1 66 PHE HA 1 66 PHE QD 4.000 . 5.000 2.723 2.185 3.022 . 0 0 "[ . 1 . 2]" 2
255 1 66 PHE H 1 66 PHE HB3 4.000 . 5.000 3.030 2.738 3.286 . 0 0 "[ . 1 . 2]" 2
256 1 66 PHE H 1 66 PHE HB2 4.000 . 5.000 2.331 2.123 2.552 . 0 0 "[ . 1 . 2]" 2
257 1 67 ASN H 1 67 ASN HB3 4.000 . 5.000 2.945 2.256 3.088 . 0 0 "[ . 1 . 2]" 2
258 1 67 ASN H 1 67 ASN HB2 3.500 . 4.000 3.537 3.510 3.574 . 0 0 "[ . 1 . 2]" 2
259 1 67 ASN HB3 1 67 ASN HD22 4.000 . 5.000 3.485 3.419 3.759 . 0 0 "[ . 1 . 2]" 2
260 1 67 ASN HB2 1 67 ASN HD22 4.000 . 5.000 3.878 3.463 4.031 . 0 0 "[ . 1 . 2]" 2
261 1 68 ASN H 1 68 ASN QB 3.000 . 3.500 2.282 2.117 2.311 . 0 0 "[ . 1 . 2]" 2
262 1 68 ASN HA 1 68 ASN HB3 3.000 . 3.500 3.017 2.777 3.033 . 0 0 "[ . 1 . 2]" 2
263 1 68 ASN HB3 1 68 ASN HD22 3.500 . 4.000 3.713 3.440 4.026 0.026 5 0 "[ . 1 . 2]" 2
264 1 68 ASN H 1 68 ASN HB3 3.500 . 4.000 2.564 2.376 3.381 . 0 0 "[ . 1 . 2]" 2
265 1 69 PHE H 1 69 PHE HB3 3.500 . 4.000 2.869 2.788 2.925 . 0 0 "[ . 1 . 2]" 2
266 1 69 PHE HA 1 69 PHE QD 4.000 . 5.000 2.900 2.806 2.996 . 0 0 "[ . 1 . 2]" 2
267 1 69 PHE HB2 1 69 PHE QE 4.000 . 5.000 4.407 4.395 4.418 . 0 0 "[ . 1 . 2]" 2
268 1 69 PHE H 1 69 PHE HB2 4.000 . 5.000 2.244 2.198 2.322 . 0 0 "[ . 1 . 2]" 2
269 1 70 LEU HA 1 70 LEU MD1 4.500 . 5.500 3.719 2.960 3.782 . 0 0 "[ . 1 . 2]" 2
270 1 70 LEU HA 1 70 LEU MD2 3.500 . 4.000 1.933 1.824 2.223 . 0 0 "[ . 1 . 2]" 2
271 1 70 LEU H 1 70 LEU MD2 4.500 . 5.500 3.772 2.444 4.202 . 0 0 "[ . 1 . 2]" 2
272 1 70 LEU HB2 1 70 LEU HG 2.500 . 3.000 2.401 2.236 2.531 . 0 0 "[ . 1 . 2]" 2
273 1 70 LEU H 1 70 LEU HG 4.000 . 5.000 3.238 2.754 3.834 . 0 0 "[ . 1 . 2]" 2
274 1 70 LEU H 1 70 LEU HB3 4.000 . 5.000 3.440 3.164 3.567 . 0 0 "[ . 1 . 2]" 2
275 1 70 LEU H 1 70 LEU HB2 4.000 . 5.000 2.176 2.086 2.312 . 0 0 "[ . 1 . 2]" 2
276 1 70 LEU H 1 70 LEU MD1 4.500 . 5.500 4.051 3.854 4.312 . 0 0 "[ . 1 . 2]" 2
277 1 71 LYS HA 1 71 LYS HG3 4.000 . 5.000 2.875 2.715 3.578 . 0 0 "[ . 1 . 2]" 2
278 1 71 LYS H 1 71 LYS QB 3.000 . 3.500 2.199 2.102 2.552 . 0 0 "[ . 1 . 2]" 2
279 1 71 LYS HA 1 71 LYS HG2 3.500 . 4.000 2.389 2.180 2.840 . 0 0 "[ . 1 . 2]" 2
280 1 71 LYS H 1 71 LYS HG2 3.500 . 4.000 3.796 2.914 4.027 0.027 10 0 "[ . 1 . 2]" 2
281 1 71 LYS H 1 71 LYS HG3 4.000 . 5.000 2.871 2.002 3.369 . 0 0 "[ . 1 . 2]" 2
282 1 72 ALA H 1 72 ALA MB 3.000 . 3.500 2.244 2.215 2.268 . 0 0 "[ . 1 . 2]" 2
283 1 73 LEU HA 1 73 LEU MD2 4.500 . 5.500 3.938 3.834 4.007 . 0 0 "[ . 1 . 2]" 2
284 1 73 LEU HA 1 73 LEU HB3 3.000 . 3.500 3.013 3.000 3.022 . 0 0 "[ . 1 . 2]" 2
285 1 73 LEU HA 1 73 LEU MD1 3.500 . 4.000 2.403 2.179 3.041 . 0 0 "[ . 1 . 2]" 2
286 1 73 LEU H 1 73 LEU MD1 4.000 . 5.000 4.132 3.850 4.282 . 0 0 "[ . 1 . 2]" 2
287 1 73 LEU HA 1 73 LEU HG 4.000 . 5.000 2.984 2.584 3.171 . 0 0 "[ . 1 . 2]" 2
288 1 73 LEU H 1 73 LEU HB3 4.000 . 5.000 2.468 2.290 2.767 . 0 0 "[ . 1 . 2]" 2
289 1 73 LEU H 1 73 LEU HB2 3.500 . 4.000 2.555 2.287 2.735 . 0 0 "[ . 1 . 2]" 2
290 1 73 LEU H 1 73 LEU MD2 4.500 . 5.500 4.194 3.973 4.335 . 0 0 "[ . 1 . 2]" 2
291 1 74 GLN HA 1 74 GLN HG3 3.500 . 4.000 3.306 2.935 3.498 . 0 0 "[ . 1 . 2]" 2
292 1 74 GLN HA 1 74 GLN HG2 3.500 . 4.000 2.438 2.173 3.914 . 0 0 "[ . 1 . 2]" 2
293 1 75 GLU H 1 75 GLU QB 2.500 . 3.000 2.186 2.059 2.477 . 0 0 "[ . 1 . 2]" 2
294 1 75 GLU H 1 75 GLU HG3 3.000 . 3.500 3.038 2.626 3.470 . 0 0 "[ . 1 . 2]" 2
295 1 75 GLU H 1 75 GLU HG2 4.000 . 5.000 3.735 2.195 4.301 . 0 0 "[ . 1 . 2]" 2
296 1 76 LYS H 1 76 LYS QB 2.500 . 3.000 2.163 2.080 2.288 . 0 0 "[ . 1 . 2]" 2
297 1 76 LYS H 1 76 LYS QG 3.500 . 4.000 3.251 2.735 4.026 0.026 16 0 "[ . 1 . 2]" 2
298 1 77 VAL HA 1 77 VAL MG1 3.500 . 4.000 2.953 2.506 3.209 . 0 0 "[ . 1 . 2]" 2
299 1 77 VAL H 1 77 VAL HB 3.500 . 4.000 3.017 2.374 3.609 . 0 0 "[ . 1 . 2]" 2
300 1 78 GLU H 1 78 GLU QB 2.500 . 3.000 2.109 2.048 2.268 . 0 0 "[ . 1 . 2]" 2
301 1 78 GLU H 1 78 GLU HG2 3.500 . 4.000 3.893 3.514 4.040 0.040 3 0 "[ . 1 . 2]" 2
302 1 79 ILE HA 1 79 ILE MD 4.500 . 5.500 3.415 2.017 3.929 . 0 0 "[ . 1 . 2]" 2
303 1 79 ILE HA 1 79 ILE HG13 3.500 . 4.000 2.888 2.380 3.792 . 0 0 "[ . 1 . 2]" 2
304 1 79 ILE H 1 79 ILE HG13 4.000 . 5.000 2.524 1.802 3.541 . 0 0 "[ . 1 . 2]" 2
305 1 79 ILE HA 1 79 ILE HG12 3.500 . 4.000 3.096 2.774 3.330 . 0 0 "[ . 1 . 2]" 2
306 1 79 ILE H 1 79 ILE HG12 3.500 . 4.000 3.263 1.865 4.070 0.070 11 0 "[ . 1 . 2]" 2
307 1 79 ILE H 1 79 ILE MG 4.500 . 5.500 3.784 3.743 3.896 . 0 0 "[ . 1 . 2]" 2
308 1 79 ILE H 1 79 ILE HB 3.500 . 4.000 2.651 2.468 2.785 . 0 0 "[ . 1 . 2]" 2
309 1 79 ILE H 1 79 ILE MD 4.500 . 5.500 2.787 2.550 3.630 . 0 0 "[ . 1 . 2]" 2
310 1 80 LYS HA 1 80 LYS HG3 3.500 . 4.000 2.996 2.195 3.754 . 0 0 "[ . 1 . 2]" 2
311 1 80 LYS H 1 80 LYS HB3 2.500 . 3.000 3.109 2.921 3.222 0.222 18 0 "[ . 1 . 2]" 2
312 1 80 LYS H 1 80 LYS HB2 3.500 . 4.000 3.551 2.171 3.994 . 0 0 "[ . 1 . 2]" 2
313 1 80 LYS H 1 80 LYS HG3 4.000 . 5.000 4.637 4.049 4.990 . 0 0 "[ . 1 . 2]" 2
314 1 81 GLN HA 1 81 GLN HB3 2.500 . 3.000 2.810 2.743 2.828 . 0 0 "[ . 1 . 2]" 2
315 1 81 GLN HA 1 81 GLN QG 3.000 . 3.500 2.194 2.038 2.348 . 0 0 "[ . 1 . 2]" 2
316 1 81 GLN H 1 81 GLN HA 3.000 . 3.500 2.768 2.262 2.948 . 0 0 "[ . 1 . 2]" 2
317 1 81 GLN H 1 81 GLN HB3 4.000 . 5.000 3.752 3.387 4.095 . 0 0 "[ . 1 . 2]" 2
318 1 81 GLN H 1 81 GLN HB2 4.000 . 5.000 3.080 2.470 3.311 . 0 0 "[ . 1 . 2]" 2
319 1 81 GLN H 1 81 GLN QG 3.500 . 4.000 3.997 3.345 4.079 0.079 18 0 "[ . 1 . 2]" 2
320 1 82 LEU HA 1 82 LEU MD1 4.500 . 5.500 4.053 3.572 4.125 . 0 0 "[ . 1 . 2]" 2
321 1 82 LEU HB3 1 82 LEU MD1 3.000 . 3.500 2.777 2.678 2.998 . 0 0 "[ . 1 . 2]" 2
322 1 82 LEU HA 1 82 LEU MD2 3.500 . 4.000 3.516 3.258 4.051 0.051 2 0 "[ . 1 . 2]" 2
323 1 82 LEU H 1 82 LEU MD2 4.000 . 5.000 2.832 2.011 4.347 . 0 0 "[ . 1 . 2]" 2
324 1 82 LEU H 1 82 LEU HB3 4.000 . 5.000 3.441 2.675 3.694 . 0 0 "[ . 1 . 2]" 2
325 1 82 LEU H 1 82 LEU HB2 4.000 . 5.000 3.715 3.495 3.990 . 0 0 "[ . 1 . 2]" 2
326 1 82 LEU H 1 82 LEU MD1 4.500 . 5.500 3.833 3.566 4.887 . 0 0 "[ . 1 . 2]" 2
327 1 82 LEU HA 1 82 LEU HG 4.000 . 5.000 3.610 3.551 3.650 . 0 0 "[ . 1 . 2]" 2
328 1 83 ASN H 1 83 ASN HB3 3.500 . 4.000 2.598 2.097 3.507 . 0 0 "[ . 1 . 2]" 2
329 1 83 ASN H 1 83 ASN HB2 3.500 . 4.000 2.649 2.277 3.422 . 0 0 "[ . 1 . 2]" 2
330 1 85 PHE H 1 85 PHE HB2 3.500 . 4.000 2.331 2.204 2.429 . 0 0 "[ . 1 . 2]" 2
331 1 85 PHE H 1 85 PHE HB3 4.000 . 5.000 2.782 2.676 2.914 . 0 0 "[ . 1 . 2]" 2
332 1 86 TRP HA 1 86 TRP HD1 4.000 . 5.000 4.472 4.320 4.571 . 0 0 "[ . 1 . 2]" 2
333 1 86 TRP HA 1 86 TRP HE3 4.000 . 5.000 2.288 1.875 2.647 . 0 0 "[ . 1 . 2]" 2
334 1 86 TRP HB3 1 86 TRP HE3 4.000 . 5.000 4.211 4.191 4.225 . 0 0 "[ . 1 . 2]" 2
335 1 86 TRP HB2 1 86 TRP HE3 4.000 . 5.000 2.952 2.776 3.223 . 0 0 "[ . 1 . 2]" 2
336 1 86 TRP H 1 86 TRP HB3 4.000 . 5.000 2.651 2.573 2.813 . 0 0 "[ . 1 . 2]" 2
337 1 86 TRP H 1 86 TRP HB2 4.000 . 5.000 2.450 2.235 2.560 . 0 0 "[ . 1 . 2]" 2
338 1 86 TRP H 1 86 TRP HD1 4.000 . 5.000 5.135 5.062 5.232 0.232 11 0 "[ . 1 . 2]" 2
339 1 87 GLU H 1 87 GLU HB3 3.500 . 4.000 3.529 3.096 3.590 . 0 0 "[ . 1 . 2]" 2
340 1 87 GLU H 1 87 GLU HB2 3.500 . 4.000 2.308 2.105 2.473 . 0 0 "[ . 1 . 2]" 2
341 1 87 GLU H 1 87 GLU HG2 3.500 . 4.000 3.736 2.584 3.989 . 0 0 "[ . 1 . 2]" 2
342 1 88 ILE HA 1 88 ILE HG13 4.000 . 5.000 2.653 1.945 2.941 . 0 0 "[ . 1 . 2]" 2
343 1 88 ILE HA 1 88 ILE MD 4.000 . 5.000 3.786 3.040 3.988 . 0 0 "[ . 1 . 2]" 2
344 1 88 ILE HB 1 88 ILE MD 3.500 . 4.000 2.251 2.203 2.314 . 0 0 "[ . 1 . 2]" 2
345 1 88 ILE MD 1 88 ILE MG 3.500 . 4.000 2.215 2.050 2.868 . 0 0 "[ . 1 . 2]" 2
346 1 88 ILE H 1 88 ILE HB 3.500 . 4.000 2.453 2.131 2.870 . 0 0 "[ . 1 . 2]" 2
347 1 88 ILE H 1 88 ILE MD 4.000 . 5.000 3.536 3.033 4.548 . 0 0 "[ . 1 . 2]" 2
348 1 88 ILE H 1 88 ILE HG13 4.000 . 5.000 2.744 1.850 4.485 . 0 0 "[ . 1 . 2]" 2
349 1 88 ILE H 1 88 ILE MG 4.500 . 5.500 3.614 1.893 3.810 . 0 0 "[ . 1 . 2]" 2
350 1 89 VAL H 1 89 VAL HB 3.500 . 4.000 2.605 2.277 3.645 . 0 0 "[ . 1 . 2]" 2
351 1 89 VAL H 1 89 VAL MG1 4.500 . 5.500 3.448 2.012 3.791 . 0 0 "[ . 1 . 2]" 2
352 1 89 VAL H 1 89 VAL MG2 4.000 . 5.000 2.414 1.931 3.685 . 0 0 "[ . 1 . 2]" 2
353 1 90 VAL H 1 90 VAL HB 3.000 . 3.500 2.550 2.135 2.729 . 0 0 "[ . 1 . 2]" 2
354 1 90 VAL HA 1 90 VAL MG2 3.500 . 4.000 2.221 2.013 2.321 . 0 0 "[ . 1 . 2]" 2
355 1 90 VAL H 1 90 VAL MG2 4.500 . 5.500 3.700 2.997 3.830 . 0 0 "[ . 1 . 2]" 2
356 1 90 VAL H 1 90 VAL MG1 4.000 . 5.000 2.311 1.946 3.477 . 0 0 "[ . 1 . 2]" 2
357 1 91 GLN HA 1 91 GLN QB 2.500 . 3.000 2.448 2.170 2.540 . 0 0 "[ . 1 . 2]" 2
358 1 91 GLN H 1 91 GLN QB 3.000 . 3.500 2.195 2.092 2.291 . 0 0 "[ . 1 . 2]" 2
359 1 91 GLN HA 1 91 GLN QG 3.000 . 3.500 2.339 2.157 3.326 . 0 0 "[ . 1 . 2]" 2
360 1 91 GLN H 1 91 GLN QG 4.000 . 5.000 3.317 2.637 3.989 . 0 0 "[ . 1 . 2]" 2
361 1 92 ASP H 1 92 ASP HB3 3.000 . 3.500 3.379 2.648 3.539 0.039 5 0 "[ . 1 . 2]" 2
362 1 92 ASP H 1 92 ASP HB2 3.000 . 3.500 2.221 2.085 2.398 . 0 0 "[ . 1 . 2]" 2
363 1 94 ILE HB 1 94 ILE MD 3.000 . 3.500 2.460 2.157 3.229 . 0 0 "[ . 1 . 2]" 2
364 1 94 ILE HA 1 94 ILE MD 4.000 . 5.000 3.680 1.994 4.156 . 0 0 "[ . 1 . 2]" 2
365 1 94 ILE HA 1 94 ILE HG13 3.500 . 4.000 3.286 2.961 3.848 . 0 0 "[ . 1 . 2]" 2
366 1 94 ILE HA 1 94 ILE HG12 4.000 . 5.000 2.930 2.634 3.791 . 0 0 "[ . 1 . 2]" 2
367 1 94 ILE H 1 94 ILE MG 4.000 . 5.000 3.610 2.327 3.848 . 0 0 "[ . 1 . 2]" 2
368 1 94 ILE H 1 94 ILE HB 3.500 . 4.000 2.830 2.458 3.635 . 0 0 "[ . 1 . 2]" 2
369 1 94 ILE H 1 94 ILE MD 4.000 . 5.000 3.436 2.863 3.766 . 0 0 "[ . 1 . 2]" 2
370 1 94 ILE H 1 94 ILE HG13 4.000 . 5.000 2.229 1.764 3.772 0.036 14 0 "[ . 1 . 2]" 2
371 1 95 THR H 1 95 THR HB 4.000 . 5.000 3.580 2.756 3.910 . 0 0 "[ . 1 . 2]" 2
372 1 95 THR H 1 95 THR MG 4.000 . 5.000 2.355 1.996 2.740 . 0 0 "[ . 1 . 2]" 2
373 1 96 LEU HA 1 96 LEU MD1 4.500 . 5.500 2.736 2.387 3.615 . 0 0 "[ . 1 . 2]" 2
374 1 96 LEU HA 1 96 LEU MD2 4.500 . 5.500 2.272 1.875 3.751 . 0 0 "[ . 1 . 2]" 2
375 1 96 LEU H 1 96 LEU HB2 3.500 . 4.000 2.269 2.082 2.476 . 0 0 "[ . 1 . 2]" 2
376 1 96 LEU H 1 96 LEU MD1 4.500 . 5.500 4.153 3.063 4.559 . 0 0 "[ . 1 . 2]" 2
377 1 96 LEU H 1 96 LEU HB3 4.000 . 5.000 3.437 2.902 3.632 . 0 0 "[ . 1 . 2]" 2
378 1 96 LEU H 1 96 LEU MD2 4.500 . 5.500 2.840 1.932 4.488 . 0 0 "[ . 1 . 2]" 2
379 1 97 ILE HA 1 97 ILE MD 4.500 . 5.500 2.542 2.044 2.968 . 0 0 "[ . 1 . 2]" 2
380 1 97 ILE HA 1 97 ILE HG13 4.000 . 5.000 2.231 2.013 2.475 . 0 0 "[ . 1 . 2]" 2
381 1 97 ILE HA 1 97 ILE HG12 4.000 . 5.000 3.512 3.388 3.587 . 0 0 "[ . 1 . 2]" 2
382 1 97 ILE H 1 97 ILE HG12 4.000 . 5.000 4.341 3.970 5.089 0.089 3 0 "[ . 1 . 2]" 2
383 1 97 ILE MD 1 97 ILE MG 3.500 . 4.000 3.224 3.111 3.261 . 0 0 "[ . 1 . 2]" 2
384 1 97 ILE H 1 97 ILE HB 4.000 . 5.000 2.379 2.129 3.432 . 0 0 "[ . 1 . 2]" 2
385 1 97 ILE H 1 97 ILE MD 4.500 . 5.500 2.644 2.043 3.513 . 0 0 "[ . 1 . 2]" 2
386 1 97 ILE H 1 97 ILE HG13 4.000 . 5.000 4.026 3.745 4.586 . 0 0 "[ . 1 . 2]" 2
387 1 97 ILE H 1 97 ILE MG 4.500 . 5.500 3.595 3.052 4.103 . 0 0 "[ . 1 . 2]" 2
388 1 99 LYS HA 1 99 LYS HG3 4.000 . 5.000 3.349 2.060 4.139 . 0 0 "[ . 1 . 2]" 2
389 1 99 LYS HA 1 99 LYS HG2 4.000 . 5.000 3.318 2.181 3.852 . 0 0 "[ . 1 . 2]" 2
390 1 99 LYS H 1 99 LYS HA 2.500 . 3.000 2.685 2.545 2.768 . 0 0 "[ . 1 . 2]" 2
391 1 99 LYS QD 1 99 LYS HG3 2.500 . 3.000 2.296 2.143 2.529 . 0 0 "[ . 1 . 2]" 2
392 1 99 LYS QD 1 99 LYS HG2 2.500 . 3.000 2.362 2.140 2.523 . 0 0 "[ . 1 . 2]" 2
393 1 100 GLU HA 1 100 GLU HG3 3.500 . 4.000 2.676 2.258 3.642 . 0 0 "[ . 1 . 2]" 2
394 1 100 GLU HA 1 100 GLU HG2 3.500 . 4.000 3.168 2.056 3.750 . 0 0 "[ . 1 . 2]" 2
395 1 101 GLU HA 1 101 GLU HB3 3.000 . 3.500 2.729 2.340 3.008 . 0 0 "[ . 1 . 2]" 2
396 1 101 GLU H 1 101 GLU HB3 4.000 . 5.000 3.292 2.760 3.743 . 0 0 "[ . 1 . 2]" 2
397 1 101 GLU HA 1 101 GLU HG3 3.000 . 3.500 3.044 2.332 3.585 0.085 8 0 "[ . 1 . 2]" 2
398 1 101 GLU HA 1 101 GLU HG2 3.500 . 4.000 2.590 2.131 3.649 . 0 0 "[ . 1 . 2]" 2
399 1 101 GLU H 1 101 GLU HB2 4.000 . 5.000 2.353 2.158 2.791 . 0 0 "[ . 1 . 2]" 2
400 1 101 GLU H 1 101 GLU HG3 4.000 . 5.000 3.475 2.299 4.573 . 0 0 "[ . 1 . 2]" 2
401 1 101 GLU H 1 101 GLU HG2 4.000 . 5.000 3.859 2.894 4.772 . 0 0 "[ . 1 . 2]" 2
402 1 105 SER H 1 105 SER HB3 4.000 . 5.000 3.611 2.282 4.055 . 0 0 "[ . 1 . 2]" 2
403 1 105 SER H 1 105 SER HB2 4.000 . 5.000 3.071 2.475 3.887 . 0 0 "[ . 1 . 2]" 2
404 1 106 SER HA 1 106 SER HB2 3.000 . 3.500 2.849 2.507 3.028 . 0 0 "[ . 1 . 2]" 2
405 1 106 SER H 1 106 SER HB2 4.000 . 5.000 2.785 2.233 3.566 . 0 0 "[ . 1 . 2]" 2
406 1 107 VAL H 1 107 VAL HB 4.000 . 5.000 2.912 2.134 3.406 . 0 0 "[ . 1 . 2]" 2
407 1 107 VAL HA 1 107 VAL MG2 3.500 . 4.000 2.090 1.921 2.260 . 0 0 "[ . 1 . 2]" 2
408 1 107 VAL H 1 107 VAL MG1 4.000 . 5.000 3.712 2.987 3.908 . 0 0 "[ . 1 . 2]" 2
409 1 107 VAL H 1 107 VAL MG2 4.000 . 5.000 3.544 2.930 3.849 . 0 0 "[ . 1 . 2]" 2
410 1 108 THR HA 1 108 THR HB 3.000 . 3.500 2.782 2.393 2.968 . 0 0 "[ . 1 . 2]" 2
411 1 108 THR H 1 108 THR MG 4.000 . 5.000 3.096 1.957 3.669 . 0 0 "[ . 1 . 2]" 2
412 1 110 GLU HA 1 110 GLU HB3 2.500 . 3.000 2.694 2.444 2.929 . 0 0 "[ . 1 . 2]" 2
413 1 110 GLU H 1 110 GLU HB3 3.500 . 4.000 3.373 2.502 3.615 . 0 0 "[ . 1 . 2]" 2
414 1 110 GLU HA 1 110 GLU HB2 2.500 . 3.000 2.909 2.452 3.021 0.021 9 0 "[ . 1 . 2]" 2
415 1 110 GLU H 1 110 GLU HB2 3.500 . 4.000 2.338 2.168 3.619 . 0 0 "[ . 1 . 2]" 2
416 1 110 GLU HA 1 110 GLU QG 3.000 . 3.500 2.335 2.165 3.343 . 0 0 "[ . 1 . 2]" 2
417 1 110 GLU H 1 110 GLU QG 4.000 . 5.000 3.087 2.460 3.832 . 0 0 "[ . 1 . 2]" 2
418 1 111 GLU H 1 111 GLU HB3 3.500 . 4.000 2.228 2.174 2.287 . 0 0 "[ . 1 . 2]" 2
419 1 111 GLU H 1 111 GLU HB2 4.000 . 5.000 3.025 2.936 3.118 . 0 0 "[ . 1 . 2]" 2
420 1 111 GLU H 1 111 GLU HG3 4.000 . 5.000 4.447 4.348 4.492 . 0 0 "[ . 1 . 2]" 2
421 1 111 GLU H 1 111 GLU HG2 3.500 . 4.000 4.093 4.029 4.178 0.178 6 0 "[ . 1 . 2]" 2
422 1 113 LYS H 1 113 LYS QB 2.500 . 3.000 2.351 2.129 2.648 . 0 0 "[ . 1 . 2]" 2
423 1 114 LYS H 1 114 LYS HB3 2.500 . 3.000 3.057 3.018 3.185 0.185 4 0 "[ . 1 . 2]" 2
424 1 114 LYS H 1 114 LYS HB2 4.000 . 5.000 2.116 2.004 2.150 . 0 0 "[ . 1 . 2]" 2
425 1 114 LYS H 1 114 LYS HG3 4.000 . 5.000 4.295 4.100 4.455 . 0 0 "[ . 1 . 2]" 2
426 1 114 LYS H 1 114 LYS HG2 3.500 . 4.000 4.048 4.007 4.198 0.198 5 0 "[ . 1 . 2]" 2
427 1 115 PHE HA 1 115 PHE QD 4.000 . 5.000 2.948 2.646 3.082 . 0 0 "[ . 1 . 2]" 2
428 1 115 PHE H 1 115 PHE HB3 3.500 . 4.000 3.487 3.274 3.554 . 0 0 "[ . 1 . 2]" 2
429 1 115 PHE H 1 115 PHE HB2 3.500 . 4.000 2.194 2.048 2.298 . 0 0 "[ . 1 . 2]" 2
430 1 116 LEU HA 1 116 LEU MD2 4.500 . 5.500 3.116 2.003 3.480 . 0 0 "[ . 1 . 2]" 2
431 1 116 LEU QB 1 116 LEU MD2 3.000 . 3.500 2.018 1.883 2.287 . 0 0 "[ . 1 . 2]" 2
432 1 116 LEU HB3 1 116 LEU MD1 3.000 . 3.500 2.954 2.539 3.113 . 0 0 "[ . 1 . 2]" 2
433 1 117 ALA H 1 117 ALA MB 3.000 . 3.500 2.328 2.174 2.507 . 0 0 "[ . 1 . 2]" 2
434 1 118 PRO HB3 1 118 PRO HD3 3.000 . 3.500 2.985 2.955 3.062 . 0 0 "[ . 1 . 2]" 2
435 1 118 PRO HB3 1 118 PRO HD2 3.500 . 4.000 3.874 3.868 3.930 . 0 0 "[ . 1 . 2]" 2
436 1 118 PRO HB2 1 118 PRO HD3 4.000 . 5.000 3.919 3.881 3.966 . 0 0 "[ . 1 . 2]" 2
437 1 118 PRO HB2 1 118 PRO HD2 4.000 . 5.000 4.040 4.011 4.051 . 0 0 "[ . 1 . 2]" 2
438 1 118 PRO HA 1 118 PRO QG 3.500 . 4.000 3.502 3.471 3.512 . 0 0 "[ . 1 . 2]" 2
439 1 118 PRO HD3 1 118 PRO QG 2.500 . 3.000 2.232 2.215 2.250 . 0 0 "[ . 1 . 2]" 2
440 1 118 PRO HD2 1 118 PRO QG 2.500 . 3.000 2.183 2.180 2.186 . 0 0 "[ . 1 . 2]" 2
441 1 119 LYS H 1 119 LYS HB3 3.500 . 4.000 3.302 2.576 4.051 0.051 11 0 "[ . 1 . 2]" 2
442 1 119 LYS H 1 119 LYS HB2 4.000 . 5.000 2.661 2.170 3.341 . 0 0 "[ . 1 . 2]" 2
443 1 119 LYS H 1 119 LYS QG 4.000 . 5.000 3.706 2.852 4.213 . 0 0 "[ . 1 . 2]" 2
444 1 120 ASP H 1 120 ASP HB3 4.000 . 5.000 3.432 2.789 4.071 . 0 0 "[ . 1 . 2]" 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 59
_Distance_constraint_stats_list.Viol_count 81
_Distance_constraint_stats_list.Viol_total 132.725
_Distance_constraint_stats_list.Viol_max 0.498
_Distance_constraint_stats_list.Viol_rms 0.0399
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0056
_Distance_constraint_stats_list.Viol_average_violations_only 0.0819
_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 3 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 6 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 7 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 PHE 0.252 0.049 4 0 "[ . 1 . 2]"
1 10 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 LYS 0.100 0.037 4 0 "[ . 1 . 2]"
1 16 LYS 0.440 0.098 10 0 "[ . 1 . 2]"
1 17 LYS 0.440 0.098 10 0 "[ . 1 . 2]"
1 19 SER 0.339 0.098 10 0 "[ . 1 . 2]"
1 20 PHE 0.249 0.049 4 0 "[ . 1 . 2]"
1 21 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 22 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 24 SER 0.005 0.005 1 0 "[ . 1 . 2]"
1 27 LEU 0.003 0.003 18 0 "[ . 1 . 2]"
1 28 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 HIS 0.003 0.003 18 0 "[ . 1 . 2]"
1 31 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 32 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 33 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 34 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 39 GLU 0.002 0.002 6 0 "[ . 1 . 2]"
1 40 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 41 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 42 TYR 0.002 0.002 6 0 "[ . 1 . 2]"
1 43 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 45 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 46 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 49 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 50 ILE 0.141 0.036 8 0 "[ . 1 . 2]"
1 51 ARG 0.141 0.036 8 0 "[ . 1 . 2]"
1 52 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 53 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 54 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 56 GLU 0.244 0.049 4 0 "[ . 1 . 2]"
1 59 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 60 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 65 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 67 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 69 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 73 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 74 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 75 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 77 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 79 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 80 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 82 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 83 ASN 0.087 0.087 7 0 "[ . 1 . 2]"
1 85 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 86 TRP 0.086 0.027 2 0 "[ . 1 . 2]"
1 88 ILE 0.030 0.030 4 0 "[ . 1 . 2]"
1 89 VAL 0.030 0.030 4 0 "[ . 1 . 2]"
1 90 VAL 0.030 0.030 4 0 "[ . 1 . 2]"
1 94 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 97 ILE 0.152 0.084 9 0 "[ . 1 . 2]"
1 98 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 99 LYS 0.152 0.084 9 0 "[ . 1 . 2]"
1 100 GLU 1.352 0.194 13 0 "[ . 1 . 2]"
1 101 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 102 ALA 4.094 0.498 4 0 "[ . 1 . 2]"
1 104 GLY 0.439 0.253 8 0 "[ . 1 . 2]"
1 105 SER 5.598 0.498 4 0 "[ . 1 . 2]"
1 107 VAL 3.655 0.498 4 0 "[ . 1 . 2]"
1 110 GLU 1.352 0.194 13 0 "[ . 1 . 2]"
1 111 GLU 1.352 0.194 13 0 "[ . 1 . 2]"
1 115 PHE 0.087 0.087 7 0 "[ . 1 . 2]"
1 116 LEU 0.086 0.027 2 0 "[ . 1 . 2]"
1 117 ALA 0.087 0.087 7 0 "[ . 1 . 2]"
1 119 LYS 0.087 0.087 7 0 "[ . 1 . 2]"
1 120 ASP 0.086 0.027 2 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 9 PHE QD 1 10 ARG HG3 4.500 . 5.500 2.460 1.992 2.779 . 0 0 "[ . 1 . 2]" 3
2 1 9 PHE QD 1 23 ALA MB 4.500 . 5.500 1.994 1.826 2.480 . 0 0 "[ . 1 . 2]" 3
3 1 9 PHE QD 1 10 ARG HG2 4.000 . 5.000 3.471 2.949 3.883 . 0 0 "[ . 1 . 2]" 3
4 1 9 PHE QB 1 9 PHE QE 4.000 . 5.000 3.847 3.748 3.902 . 0 0 "[ . 1 . 2]" 3
5 1 20 PHE HZ 1 53 PHE QE 4.000 . 5.000 3.374 2.489 4.994 . 0 0 "[ . 1 . 2]" 3
6 1 27 LEU HA 1 30 HIS HD2 4.000 . 5.000 3.790 3.130 4.141 . 0 0 "[ . 1 . 2]" 3
7 1 35 LEU HA 1 43 PHE QD 4.000 . 5.000 4.060 3.809 4.486 . 0 0 "[ . 1 . 2]" 3
8 1 35 LEU MD1 1 43 PHE QD 4.500 . 5.500 4.876 3.557 5.239 . 0 0 "[ . 1 . 2]" 3
9 1 38 ASN HB2 1 43 PHE QE 4.000 . 5.000 4.074 3.560 4.383 . 0 0 "[ . 1 . 2]" 3
10 1 28 ILE MD 1 53 PHE QD 4.500 . 5.500 3.312 2.316 4.276 . 0 0 "[ . 1 . 2]" 3
11 1 24 SER QB 1 53 PHE QE 4.000 . 5.000 2.884 2.080 3.313 . 0 0 "[ . 1 . 2]" 3
12 1 16 LYS HD3 1 60 PHE QE 4.500 . 5.500 2.527 2.140 2.905 . 0 0 "[ . 1 . 2]" 3
13 1 16 LYS QB 1 60 PHE QE 4.500 . 5.500 3.832 3.389 4.316 . 0 0 "[ . 1 . 2]" 3
14 1 59 LYS HB3 1 60 PHE HZ 4.500 . 5.500 3.749 2.639 4.867 . 0 0 "[ . 1 . 2]" 3
15 1 28 ILE MD 1 69 PHE QD 4.500 . 5.500 4.119 3.482 5.037 . 0 0 "[ . 1 . 2]" 3
16 1 28 ILE MG 1 69 PHE QD 4.500 . 5.500 3.231 2.747 3.626 . 0 0 "[ . 1 . 2]" 3
17 1 73 LEU MD2 1 85 PHE QD 4.500 . 5.500 2.858 2.005 3.552 . 0 0 "[ . 1 . 2]" 3
18 1 35 LEU MD1 1 85 PHE HZ 4.500 . 5.500 3.744 3.070 4.820 . 0 0 "[ . 1 . 2]" 3
19 1 9 PHE QD 1 24 SER HA 4.000 . 5.000 2.280 1.851 3.153 . 0 0 "[ . 1 . 2]" 3
20 1 27 LEU HG 1 49 CYS HB2 4.500 . 5.500 3.859 3.517 4.334 . 0 0 "[ . 1 . 2]" 3
21 1 27 LEU HG 1 49 CYS HB3 4.500 . 5.500 3.965 3.708 4.266 . 0 0 "[ . 1 . 2]" 3
22 1 35 LEU MD2 1 69 PHE QE 4.500 . 5.500 4.199 3.097 5.110 . 0 0 "[ . 1 . 2]" 3
23 1 85 PHE QE 1 94 ILE MG 4.000 . 5.000 3.578 2.326 3.803 . 0 0 "[ . 1 . 2]" 3
24 1 49 CYS HB2 1 51 ARG H 4.000 . 5.000 4.469 4.288 4.651 . 0 0 "[ . 1 . 2]" 3
25 1 3 VAL HB 1 6 ALA H 4.000 . 5.000 4.380 4.182 4.557 . 0 0 "[ . 1 . 2]" 3
26 1 3 VAL MG1 1 8 ASN H 5.000 . 6.000 4.464 3.321 5.853 . 0 0 "[ . 1 . 2]" 3
27 1 9 PHE QB 1 10 ARG H 3.500 . 4.000 2.599 2.377 2.752 . 0 0 "[ . 1 . 2]" 3
28 1 14 LYS QD 1 16 LYS H 4.000 . 5.000 4.765 4.155 5.037 0.037 4 0 "[ . 1 . 2]" 3
29 1 16 LYS HD2 1 19 SER H 4.500 . 5.500 5.071 4.057 5.598 0.098 10 0 "[ . 1 . 2]" 3
30 1 19 SER HB3 1 21 GLU H 4.000 . 5.000 3.595 2.887 4.327 . 0 0 "[ . 1 . 2]" 3
31 1 20 PHE H 1 23 ALA H 4.000 . 5.000 3.445 2.839 4.270 . 0 0 "[ . 1 . 2]" 3
32 1 9 PHE HZ 1 24 SER H 4.000 . 5.000 4.558 4.083 5.005 0.005 1 0 "[ . 1 . 2]" 3
33 1 9 PHE QD 1 27 LEU H 4.500 . 5.500 4.811 4.080 5.503 0.003 18 0 "[ . 1 . 2]" 3
34 1 9 PHE QB 1 27 LEU H 4.500 . 5.500 4.547 4.384 4.711 . 0 0 "[ . 1 . 2]" 3
35 1 32 GLU HB3 1 35 LEU H 4.000 . 5.000 4.199 4.111 4.347 . 0 0 "[ . 1 . 2]" 3
36 1 32 GLU HA 1 36 ASP H 4.000 . 5.000 4.390 4.243 4.632 . 0 0 "[ . 1 . 2]" 3
37 1 39 GLU H 1 42 TYR QR 4.000 . 5.000 4.286 1.837 5.002 0.002 6 0 "[ . 1 . 2]" 3
38 1 40 THR MG 1 43 PHE H 4.000 . 5.000 4.585 4.337 4.969 . 0 0 "[ . 1 . 2]" 3
39 1 50 ILE H 1 51 ARG HB3 4.000 . 5.000 4.982 4.763 5.036 0.036 8 0 "[ . 1 . 2]" 3
40 1 52 ALA MB 1 56 GLU H 4.500 . 5.500 4.516 4.392 4.664 . 0 0 "[ . 1 . 2]" 3
41 1 9 PHE HZ 1 56 GLU H 4.000 . 5.000 4.963 4.664 5.049 0.049 4 0 "[ . 1 . 2]" 3
42 1 65 ARG HA 1 69 PHE H 4.000 . 5.000 3.856 3.711 4.007 . 0 0 "[ . 1 . 2]" 3
43 1 73 LEU MD1 1 74 GLN H 4.500 . 5.500 3.745 3.541 3.970 . 0 0 "[ . 1 . 2]" 3
44 1 73 LEU HA 1 74 GLN H 4.000 . 5.000 3.492 3.459 3.525 . 0 0 "[ . 1 . 2]" 3
45 1 73 LEU MD1 1 75 GLU H 4.500 . 5.500 4.323 3.920 4.952 . 0 0 "[ . 1 . 2]" 3
46 1 73 LEU HG 1 75 GLU H 4.000 . 5.000 2.344 2.237 2.429 . 0 0 "[ . 1 . 2]" 3
47 1 79 ILE HG12 1 83 ASN H 4.000 . 5.000 4.506 4.255 4.576 . 0 0 "[ . 1 . 2]" 3
48 1 77 VAL MG1 1 85 PHE H 4.500 . 5.500 4.959 4.422 5.293 . 0 0 "[ . 1 . 2]" 3
49 1 86 TRP HE1 1 116 LEU HA 4.000 . 5.000 4.773 4.087 5.027 0.027 2 0 "[ . 1 . 2]" 3
50 1 88 ILE MG 1 89 VAL H 4.500 . 5.500 2.925 1.770 4.001 0.030 4 0 "[ . 1 . 2]" 3
51 1 98 THR H 1 100 GLU HB3 4.000 . 5.000 3.279 1.926 4.994 . 0 0 "[ . 1 . 2]" 3
52 1 98 THR HA 1 101 GLU H 4.000 . 5.000 3.697 3.539 3.792 . 0 0 "[ . 1 . 2]" 3
53 1 100 GLU HB3 1 102 ALA H 4.000 . 5.000 3.795 3.500 4.201 . 0 0 "[ . 1 . 2]" 3
54 1 97 ILE MG 1 102 ALA H 4.500 . 5.500 4.442 3.431 5.128 . 0 0 "[ . 1 . 2]" 3
55 1 102 ALA HA 1 104 GLY H 4.000 . 5.000 4.386 3.638 5.253 0.253 8 0 "[ . 1 . 2]" 3
56 1 97 ILE HB 1 105 SER H 4.500 . 5.500 4.777 2.350 5.584 0.084 9 0 "[ . 1 . 2]" 3
57 1 100 GLU HB2 1 105 SER H 4.500 . 5.500 5.501 4.508 5.694 0.194 13 0 "[ . 1 . 2]" 3
58 1 102 ALA HA 1 107 VAL H 4.500 . 5.500 5.313 4.686 5.998 0.498 4 0 "[ . 1 . 2]" 3
59 1 83 ASN HA 1 117 ALA H 4.000 . 5.000 4.104 3.589 5.087 0.087 7 0 "[ . 1 . 2]" 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 194
_Distance_constraint_stats_list.Viol_count 317
_Distance_constraint_stats_list.Viol_total 405.812
_Distance_constraint_stats_list.Viol_max 0.466
_Distance_constraint_stats_list.Viol_rms 0.0315
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0052
_Distance_constraint_stats_list.Viol_average_violations_only 0.0640
_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 4 ASN 0.010 0.007 2 0 "[ . 1 . 2]"
1 5 PRO 0.089 0.089 17 0 "[ . 1 . 2]"
1 6 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 7 GLU 0.020 0.007 2 0 "[ . 1 . 2]"
1 8 ASN 0.112 0.089 17 0 "[ . 1 . 2]"
1 9 PHE 0.008 0.008 14 0 "[ . 1 . 2]"
1 10 ARG 0.010 0.007 14 0 "[ . 1 . 2]"
1 11 VAL 0.040 0.031 13 0 "[ . 1 . 2]"
1 12 LEU 0.031 0.012 7 0 "[ . 1 . 2]"
1 13 VAL 0.501 0.098 5 0 "[ . 1 . 2]"
1 14 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 GLN 0.443 0.092 11 0 "[ . 1 . 2]"
1 16 LYS 0.098 0.098 5 0 "[ . 1 . 2]"
1 18 ALA 0.046 0.013 20 0 "[ . 1 . 2]"
1 20 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 21 GLU 0.016 0.004 9 0 "[ . 1 . 2]"
1 22 GLU 0.046 0.013 20 0 "[ . 1 . 2]"
1 23 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 24 SER 0.009 0.009 18 0 "[ . 1 . 2]"
1 25 ASN 0.016 0.004 9 0 "[ . 1 . 2]"
1 26 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 LEU 0.014 0.009 18 0 "[ . 1 . 2]"
1 28 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 29 ASN 0.035 0.013 16 0 "[ . 1 . 2]"
1 30 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 31 ILE 0.004 0.004 6 0 "[ . 1 . 2]"
1 32 GLU 0.122 0.013 16 0 "[ . 1 . 2]"
1 33 GLN 0.002 0.002 3 0 "[ . 1 . 2]"
1 34 PHE 0.005 0.005 10 0 "[ . 1 . 2]"
1 35 LEU 0.086 0.013 18 0 "[ . 1 . 2]"
1 36 ASP 0.002 0.002 3 0 "[ . 1 . 2]"
1 37 THR 0.149 0.022 6 0 "[ . 1 . 2]"
1 38 ASN 0.024 0.024 5 0 "[ . 1 . 2]"
1 39 GLU 0.123 0.022 6 0 "[ . 1 . 2]"
1 41 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 42 TYR 0.280 0.059 11 0 "[ . 1 . 2]"
1 43 PHE 0.024 0.024 5 0 "[ . 1 . 2]"
1 44 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 45 LYS 0.259 0.059 11 0 "[ . 1 . 2]"
1 46 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 47 ILE 0.350 0.087 20 0 "[ . 1 . 2]"
1 48 ASP 0.002 0.002 3 0 "[ . 1 . 2]"
1 49 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 50 ILE 0.350 0.087 20 0 "[ . 1 . 2]"
1 51 ARG 0.014 0.012 13 0 "[ . 1 . 2]"
1 52 ALA 0.019 0.019 1 0 "[ . 1 . 2]"
1 53 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 54 ARG 0.012 0.012 13 0 "[ . 1 . 2]"
1 55 GLU 0.019 0.019 1 0 "[ . 1 . 2]"
1 57 ALA 0.033 0.016 5 0 "[ . 1 . 2]"
1 58 ILE 0.087 0.023 11 0 "[ . 1 . 2]"
1 60 PHE 2.636 0.175 11 0 "[ . 1 . 2]"
1 61 SER 3.526 0.236 3 0 "[ . 1 . 2]"
1 62 GLU 2.669 0.175 11 0 "[ . 1 . 2]"
1 63 GLU 3.613 0.236 3 0 "[ . 1 . 2]"
1 64 GLN 6.805 0.466 16 0 "[ . 1 . 2]"
1 65 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 66 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 67 ASN 6.811 0.466 16 0 "[ . 1 . 2]"
1 68 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 69 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 70 LEU 0.006 0.006 20 0 "[ . 1 . 2]"
1 71 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 72 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 73 LEU 0.003 0.003 18 0 "[ . 1 . 2]"
1 74 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 75 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 76 LYS 0.073 0.038 1 0 "[ . 1 . 2]"
1 77 VAL 1.310 0.126 8 0 "[ . 1 . 2]"
1 79 ILE 0.070 0.038 1 0 "[ . 1 . 2]"
1 80 LYS 0.049 0.049 3 0 "[ . 1 . 2]"
1 81 GLN 0.472 0.110 11 0 "[ . 1 . 2]"
1 82 LEU 1.395 0.126 8 0 "[ . 1 . 2]"
1 83 ASN 0.472 0.110 11 0 "[ . 1 . 2]"
1 84 HIS 0.134 0.047 2 0 "[ . 1 . 2]"
1 85 PHE 0.021 0.012 20 0 "[ . 1 . 2]"
1 86 TRP 0.284 0.104 4 0 "[ . 1 . 2]"
1 87 GLU 0.570 0.061 17 0 "[ . 1 . 2]"
1 88 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 89 VAL 0.161 0.095 20 0 "[ . 1 . 2]"
1 90 VAL 0.854 0.104 4 0 "[ . 1 . 2]"
1 91 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 92 ASP 0.129 0.017 14 0 "[ . 1 . 2]"
1 93 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 94 ILE 0.270 0.095 20 0 "[ . 1 . 2]"
1 97 ILE 0.048 0.029 13 0 "[ . 1 . 2]"
1 101 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 102 ALA 0.048 0.029 13 0 "[ . 1 . 2]"
1 107 VAL 0.006 0.006 5 0 "[ . 1 . 2]"
1 109 ALA 0.485 0.069 10 0 "[ . 1 . 2]"
1 110 GLU 1.145 0.345 5 0 "[ . 1 . 2]"
1 111 GLU 0.006 0.006 5 0 "[ . 1 . 2]"
1 112 ALA 1.170 0.121 1 0 "[ . 1 . 2]"
1 113 LYS 1.145 0.345 5 0 "[ . 1 . 2]"
1 114 LYS 0.627 0.121 1 0 "[ . 1 . 2]"
1 115 PHE 0.058 0.029 10 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 4 ASN HB3 1 7 GLU QB 4.000 . 5.000 2.325 1.870 3.789 . 0 0 "[ . 1 . 2]" 4
2 1 4 ASN HB2 1 7 GLU QB 4.000 . 5.000 3.478 2.935 4.339 . 0 0 "[ . 1 . 2]" 4
3 1 4 ASN HB2 1 7 GLU QG 4.000 . 5.000 3.865 2.753 5.007 0.007 2 0 "[ . 1 . 2]" 4
4 1 5 PRO HA 1 8 ASN QB 3.500 . 4.000 3.097 2.735 4.089 0.089 17 0 "[ . 1 . 2]" 4
5 1 6 ALA HA 1 9 PHE QB 4.000 . 5.000 2.700 2.419 3.090 . 0 0 "[ . 1 . 2]" 4
6 1 6 ALA MB 1 9 PHE QB 4.500 . 5.500 4.130 3.866 4.479 . 0 0 "[ . 1 . 2]" 4
7 1 7 GLU HA 1 10 ARG HB3 4.000 . 5.000 4.343 3.996 4.855 . 0 0 "[ . 1 . 2]" 4
8 1 7 GLU HA 1 10 ARG HD3 4.000 . 5.000 4.420 3.182 5.004 0.004 12 0 "[ . 1 . 2]" 4
9 1 7 GLU HA 1 10 ARG HD2 4.000 . 5.000 3.937 3.226 5.007 0.007 14 0 "[ . 1 . 2]" 4
10 1 7 GLU HA 1 10 ARG H 4.000 . 5.000 3.551 3.392 4.005 . 0 0 "[ . 1 . 2]" 4
11 1 8 ASN HA 1 11 VAL H 4.000 . 5.000 3.682 3.440 3.771 . 0 0 "[ . 1 . 2]" 4
12 1 8 ASN HA 1 11 VAL HB 4.000 . 5.000 3.819 2.555 4.829 . 0 0 "[ . 1 . 2]" 4
13 1 8 ASN HD21 1 12 LEU MD2 4.500 . 5.500 4.534 2.083 5.512 0.012 7 0 "[ . 1 . 2]" 4
14 1 8 ASN HD22 1 12 LEU MD2 4.500 . 5.500 4.893 2.792 5.510 0.010 17 0 "[ . 1 . 2]" 4
15 1 9 PHE HA 1 12 LEU HB2 4.000 . 5.000 3.242 2.345 5.008 0.008 14 0 "[ . 1 . 2]" 4
16 1 9 PHE HA 1 12 LEU MD1 4.500 . 5.500 3.802 2.029 4.846 . 0 0 "[ . 1 . 2]" 4
17 1 9 PHE HA 1 12 LEU MD2 4.500 . 5.500 3.943 1.826 4.938 . 0 0 "[ . 1 . 2]" 4
18 1 9 PHE HA 1 12 LEU H 4.000 . 5.000 3.498 3.386 3.642 . 0 0 "[ . 1 . 2]" 4
19 1 9 PHE QE 1 13 VAL QG 5.000 . 6.000 2.506 2.251 3.121 . 0 0 "[ . 1 . 2]" 4
20 1 10 ARG HA 1 13 VAL MG2 4.500 . 5.500 2.204 1.936 2.400 . 0 0 "[ . 1 . 2]" 4
21 1 10 ARG HA 1 13 VAL H 4.000 . 5.000 3.795 3.563 3.958 . 0 0 "[ . 1 . 2]" 4
22 1 11 VAL HA 1 14 LYS H 4.000 . 5.000 3.250 3.028 3.522 . 0 0 "[ . 1 . 2]" 4
23 1 11 VAL MG1 1 15 GLN HG2 4.500 . 5.500 4.355 2.410 5.531 0.031 13 0 "[ . 1 . 2]" 4
24 1 13 VAL HA 1 15 GLN H 4.000 . 5.000 4.011 3.224 5.010 0.010 7 0 "[ . 1 . 2]" 4
25 1 13 VAL H 1 15 GLN HG2 4.000 . 5.000 4.772 4.097 5.092 0.092 11 0 "[ . 1 . 2]" 4
26 1 13 VAL HA 1 16 LYS H 4.000 . 5.000 4.438 3.165 5.098 0.098 5 0 "[ . 1 . 2]" 4
27 1 13 VAL HA 1 18 ALA MB 4.500 . 5.500 2.823 1.817 4.701 . 0 0 "[ . 1 . 2]" 4
28 1 18 ALA MB 1 22 GLU HB2 4.500 . 5.500 4.295 2.599 5.506 0.006 14 0 "[ . 1 . 2]" 4
29 1 18 ALA MB 1 22 GLU QG 4.500 . 5.500 5.127 2.834 5.513 0.013 20 0 "[ . 1 . 2]" 4
30 1 20 PHE HA 1 23 ALA MB 4.500 . 5.500 3.174 2.789 3.683 . 0 0 "[ . 1 . 2]" 4
31 1 21 GLU HA 1 24 SER HB3 4.000 . 5.000 4.014 2.569 4.670 . 0 0 "[ . 1 . 2]" 4
32 1 21 GLU HG3 1 25 ASN HD21 4.000 . 5.000 4.380 3.030 4.847 . 0 0 "[ . 1 . 2]" 4
33 1 21 GLU HG2 1 25 ASN HD21 4.000 . 5.000 3.224 2.543 3.883 . 0 0 "[ . 1 . 2]" 4
34 1 21 GLU HG3 1 25 ASN HD22 4.000 . 5.000 4.683 3.608 5.004 0.004 9 0 "[ . 1 . 2]" 4
35 1 21 GLU HG2 1 25 ASN HD22 4.000 . 5.000 3.556 2.916 4.156 . 0 0 "[ . 1 . 2]" 4
36 1 22 GLU HA 1 25 ASN HB3 4.000 . 5.000 4.358 4.068 4.779 . 0 0 "[ . 1 . 2]" 4
37 1 22 GLU HA 1 25 ASN HB2 4.000 . 5.000 2.937 2.748 3.265 . 0 0 "[ . 1 . 2]" 4
38 1 23 ALA HA 1 26 GLN H 4.000 . 5.000 3.783 3.571 3.965 . 0 0 "[ . 1 . 2]" 4
39 1 23 ALA MB 1 26 GLN QB 4.500 . 5.500 4.100 3.884 4.342 . 0 0 "[ . 1 . 2]" 4
40 1 24 SER H 1 26 GLN H 4.000 . 5.000 4.027 3.835 4.224 . 0 0 "[ . 1 . 2]" 4
41 1 24 SER HA 1 27 LEU HB3 4.000 . 5.000 3.443 3.240 3.703 . 0 0 "[ . 1 . 2]" 4
42 1 24 SER HA 1 27 LEU HB2 4.000 . 5.000 2.856 2.534 3.129 . 0 0 "[ . 1 . 2]" 4
43 1 24 SER HA 1 27 LEU HG 4.000 . 5.000 4.596 4.101 5.009 0.009 18 0 "[ . 1 . 2]" 4
44 1 24 SER HA 1 27 LEU H 4.000 . 5.000 3.526 3.367 3.625 . 0 0 "[ . 1 . 2]" 4
45 1 25 ASN HA 1 28 ILE HB 4.000 . 5.000 3.083 2.759 3.295 . 0 0 "[ . 1 . 2]" 4
46 1 25 ASN HA 1 28 ILE MD 4.500 . 5.500 3.945 2.160 4.893 . 0 0 "[ . 1 . 2]" 4
47 1 26 GLN HA 1 29 ASN H 4.000 . 5.000 3.444 3.334 3.562 . 0 0 "[ . 1 . 2]" 4
48 1 26 GLN HA 1 29 ASN HB3 4.000 . 5.000 3.370 3.126 3.903 . 0 0 "[ . 1 . 2]" 4
49 1 26 GLN HA 1 29 ASN HB2 3.500 . 4.000 2.723 2.371 3.200 . 0 0 "[ . 1 . 2]" 4
50 1 27 LEU MD1 1 31 ILE MD 5.000 . 6.000 2.595 1.796 4.117 0.004 6 0 "[ . 1 . 2]" 4
51 1 28 ILE HA 1 31 ILE MD 4.000 . 5.000 2.231 1.975 2.618 . 0 0 "[ . 1 . 2]" 4
52 1 28 ILE HA 1 31 ILE MG 4.500 . 5.500 4.072 3.973 4.229 . 0 0 "[ . 1 . 2]" 4
53 1 29 ASN HA 1 32 GLU HB2 3.500 . 4.000 2.634 2.425 2.838 . 0 0 "[ . 1 . 2]" 4
54 1 29 ASN HA 1 32 GLU HG2 4.000 . 5.000 4.918 4.168 5.013 0.013 16 0 "[ . 1 . 2]" 4
55 1 29 ASN HA 1 32 GLU H 4.000 . 5.000 3.505 3.397 3.621 . 0 0 "[ . 1 . 2]" 4
56 1 30 HIS HA 1 33 GLN H 4.000 . 5.000 3.483 3.188 3.565 . 0 0 "[ . 1 . 2]" 4
57 1 31 ILE HA 1 34 PHE QD 4.000 . 5.000 2.490 1.844 4.008 . 0 0 "[ . 1 . 2]" 4
58 1 31 ILE MG 1 34 PHE QD 4.500 . 5.500 4.206 3.527 5.220 . 0 0 "[ . 1 . 2]" 4
59 1 31 ILE MG 1 35 LEU MD1 5.000 . 6.000 2.456 1.971 4.592 . 0 0 "[ . 1 . 2]" 4
60 1 31 ILE MG 1 35 LEU MD2 4.500 . 5.500 3.918 2.517 4.672 . 0 0 "[ . 1 . 2]" 4
61 1 31 ILE MG 1 35 LEU HG 4.000 . 5.000 3.430 3.222 3.936 . 0 0 "[ . 1 . 2]" 4
62 1 32 GLU HA 1 35 LEU HB2 4.000 . 5.000 2.756 2.295 2.914 . 0 0 "[ . 1 . 2]" 4
63 1 32 GLU HA 1 35 LEU MD2 4.500 . 5.500 4.555 3.547 4.893 . 0 0 "[ . 1 . 2]" 4
64 1 32 GLU HA 1 35 LEU HG 3.500 . 4.000 3.989 3.869 4.013 0.013 18 0 "[ . 1 . 2]" 4
65 1 32 GLU HA 1 35 LEU H 4.000 . 5.000 3.441 3.105 3.557 . 0 0 "[ . 1 . 2]" 4
66 1 33 GLN H 1 35 LEU H 4.000 . 5.000 3.996 3.826 4.240 . 0 0 "[ . 1 . 2]" 4
67 1 33 GLN HA 1 36 ASP HB3 3.500 . 4.000 3.448 2.893 4.002 0.002 3 0 "[ . 1 . 2]" 4
68 1 33 GLN HA 1 36 ASP HB2 3.500 . 4.000 2.877 2.462 3.939 . 0 0 "[ . 1 . 2]" 4
69 1 33 GLN HA 1 36 ASP H 4.000 . 5.000 3.334 3.081 3.659 . 0 0 "[ . 1 . 2]" 4
70 1 34 PHE HA 1 37 THR MG 4.500 . 5.500 4.821 3.716 5.505 0.005 10 0 "[ . 1 . 2]" 4
71 1 34 PHE HA 1 37 THR H 4.000 . 5.000 3.985 3.582 4.256 . 0 0 "[ . 1 . 2]" 4
72 1 37 THR HB 1 39 GLU HG2 3.500 . 4.000 3.947 3.555 4.022 0.022 6 0 "[ . 1 . 2]" 4
73 1 37 THR MG 1 39 GLU HG2 4.500 . 5.500 4.137 3.031 5.362 . 0 0 "[ . 1 . 2]" 4
74 1 37 THR MG 1 42 TYR QD 4.500 . 5.500 4.025 2.862 5.521 0.021 5 0 "[ . 1 . 2]" 4
75 1 38 ASN HA 1 43 PHE HZ 4.000 . 5.000 3.964 3.165 5.024 0.024 5 0 "[ . 1 . 2]" 4
76 1 39 GLU QB 1 41 PRO HD3 3.500 . 4.000 3.474 2.882 3.781 . 0 0 "[ . 1 . 2]" 4
77 1 39 GLU QB 1 41 PRO HD2 4.000 . 5.000 1.983 1.801 2.273 . 0 0 "[ . 1 . 2]" 4
78 1 39 GLU QB 1 42 TYR H 4.000 . 5.000 2.673 2.431 2.895 . 0 0 "[ . 1 . 2]" 4
79 1 39 GLU HG3 1 42 TYR QD 4.000 . 5.000 3.445 3.103 4.603 . 0 0 "[ . 1 . 2]" 4
80 1 41 PRO HA 1 43 PHE H 4.000 . 5.000 4.448 4.096 4.970 . 0 0 "[ . 1 . 2]" 4
81 1 41 PRO HA 1 44 MET QB 3.500 . 4.000 2.985 2.571 3.833 . 0 0 "[ . 1 . 2]" 4
82 1 41 PRO HA 1 44 MET QG 4.500 . 5.500 3.462 2.717 4.809 . 0 0 "[ . 1 . 2]" 4
83 1 41 PRO HA 1 44 MET H 4.000 . 5.000 3.666 3.428 3.855 . 0 0 "[ . 1 . 2]" 4
84 1 42 TYR HA 1 45 LYS HB3 3.500 . 4.000 3.970 3.671 4.059 0.059 11 0 "[ . 1 . 2]" 4
85 1 42 TYR HA 1 45 LYS HB2 4.000 . 5.000 3.313 2.795 3.773 . 0 0 "[ . 1 . 2]" 4
86 1 42 TYR HA 1 45 LYS H 4.000 . 5.000 3.529 3.337 3.769 . 0 0 "[ . 1 . 2]" 4
87 1 43 PHE HA 1 45 LYS H 4.000 . 5.000 3.952 3.688 4.104 . 0 0 "[ . 1 . 2]" 4
88 1 44 MET HA 1 47 ILE MD 4.500 . 5.500 2.404 1.995 4.973 . 0 0 "[ . 1 . 2]" 4
89 1 44 MET HA 1 47 ILE HB 3.500 . 4.000 3.460 3.252 3.737 . 0 0 "[ . 1 . 2]" 4
90 1 45 LYS HA 1 48 ASP HB3 4.000 . 5.000 3.337 2.758 3.964 . 0 0 "[ . 1 . 2]" 4
91 1 45 LYS HA 1 48 ASP HB2 4.000 . 5.000 2.573 2.188 3.186 . 0 0 "[ . 1 . 2]" 4
92 1 45 LYS HA 1 48 ASP H 4.000 . 5.000 3.420 3.222 3.564 . 0 0 "[ . 1 . 2]" 4
93 1 46 SER HA 1 49 CYS HB2 4.000 . 5.000 2.490 2.036 2.695 . 0 0 "[ . 1 . 2]" 4
94 1 47 ILE HA 1 50 ILE H 4.000 . 5.000 3.199 3.057 3.416 . 0 0 "[ . 1 . 2]" 4
95 1 47 ILE MD 1 50 ILE MD 5.000 . 6.000 5.868 3.538 6.087 0.087 20 0 "[ . 1 . 2]" 4
96 1 47 ILE HA 1 50 ILE HB 4.000 . 5.000 3.017 2.765 3.253 . 0 0 "[ . 1 . 2]" 4
97 1 47 ILE HA 1 50 ILE MG 4.000 . 5.000 2.455 1.899 3.293 . 0 0 "[ . 1 . 2]" 4
98 1 47 ILE MG 1 51 ARG HG2 3.500 . 4.000 3.271 2.983 3.927 . 0 0 "[ . 1 . 2]" 4
99 1 48 ASP HA 1 51 ARG QD 4.000 . 5.000 4.451 3.350 5.002 0.002 3 0 "[ . 1 . 2]" 4
100 1 48 ASP HA 1 51 ARG H 4.000 . 5.000 3.600 3.368 3.736 . 0 0 "[ . 1 . 2]" 4
101 1 48 ASP HA 1 51 ARG HB3 4.000 . 5.000 4.154 4.002 4.346 . 0 0 "[ . 1 . 2]" 4
102 1 49 CYS HA 1 52 ALA MB 4.500 . 5.500 2.898 2.648 3.087 . 0 0 "[ . 1 . 2]" 4
103 1 49 CYS HA 1 52 ALA H 4.000 . 5.000 3.435 3.337 3.515 . 0 0 "[ . 1 . 2]" 4
104 1 50 ILE HA 1 53 PHE HB3 4.000 . 5.000 2.918 2.639 3.158 . 0 0 "[ . 1 . 2]" 4
105 1 50 ILE HA 1 53 PHE H 4.000 . 5.000 3.516 3.360 3.650 . 0 0 "[ . 1 . 2]" 4
106 1 51 ARG HA 1 54 ARG H 4.000 . 5.000 3.721 3.566 3.823 . 0 0 "[ . 1 . 2]" 4
107 1 51 ARG HA 1 54 ARG HB2 4.000 . 5.000 3.398 2.490 5.012 0.012 13 0 "[ . 1 . 2]" 4
108 1 52 ALA HA 1 55 GLU HB2 4.000 . 5.000 3.293 2.666 5.019 0.019 1 0 "[ . 1 . 2]" 4
109 1 55 GLU HA 1 58 ILE HB 4.500 . 5.500 4.061 2.986 5.193 . 0 0 "[ . 1 . 2]" 4
110 1 55 GLU HA 1 58 ILE MD 5.000 . 6.000 3.631 2.603 5.853 . 0 0 "[ . 1 . 2]" 4
111 1 55 GLU HA 1 58 ILE H 4.000 . 5.000 3.955 3.697 4.358 . 0 0 "[ . 1 . 2]" 4
112 1 57 ALA HA 1 62 GLU HB2 4.000 . 5.000 4.812 4.239 5.016 0.016 5 0 "[ . 1 . 2]" 4
113 1 58 ILE MG 1 63 GLU HG3 4.500 . 5.500 5.046 4.326 5.519 0.019 10 0 "[ . 1 . 2]" 4
114 1 58 ILE MG 1 63 GLU HG2 4.500 . 5.500 5.345 5.070 5.523 0.023 11 0 "[ . 1 . 2]" 4
115 1 60 PHE H 1 62 GLU H 4.000 . 5.000 5.132 5.087 5.175 0.175 11 0 "[ . 1 . 2]" 4
116 1 61 SER HA 1 63 GLU H 4.000 . 5.000 5.176 5.102 5.236 0.236 3 0 "[ . 1 . 2]" 4
117 1 61 SER H 1 63 GLU H 4.000 . 5.000 3.577 3.351 3.987 . 0 0 "[ . 1 . 2]" 4
118 1 62 GLU HA 1 65 ARG H 4.500 . 5.500 3.766 3.592 3.960 . 0 0 "[ . 1 . 2]" 4
119 1 62 GLU HB2 1 65 ARG HD3 4.000 . 5.000 3.762 2.684 4.551 . 0 0 "[ . 1 . 2]" 4
120 1 63 GLU HA 1 66 PHE HB3 4.000 . 5.000 4.117 3.724 4.470 . 0 0 "[ . 1 . 2]" 4
121 1 63 GLU HA 1 66 PHE HB2 4.500 . 5.500 3.279 3.008 3.635 . 0 0 "[ . 1 . 2]" 4
122 1 64 GLN HA 1 67 ASN HB3 4.000 . 5.000 4.244 2.859 4.682 . 0 0 "[ . 1 . 2]" 4
123 1 64 GLN HA 1 67 ASN HB2 3.500 . 4.000 4.340 4.167 4.466 0.466 16 0 "[ . 1 . 2]" 4
124 1 64 GLN HA 1 67 ASN H 4.000 . 5.000 3.242 2.886 3.864 . 0 0 "[ . 1 . 2]" 4
125 1 65 ARG HA 1 68 ASN HB3 3.500 . 4.000 2.649 2.383 3.592 . 0 0 "[ . 1 . 2]" 4
126 1 67 ASN HA 1 70 LEU HB2 4.000 . 5.000 2.044 1.794 2.309 0.006 20 0 "[ . 1 . 2]" 4
127 1 68 ASN H 1 71 LYS H 4.000 . 5.000 4.585 4.302 4.835 . 0 0 "[ . 1 . 2]" 4
128 1 69 PHE HA 1 72 ALA MB 4.500 . 5.500 2.760 2.566 3.022 . 0 0 "[ . 1 . 2]" 4
129 1 70 LEU HA 1 73 LEU HB3 4.000 . 5.000 2.433 1.978 2.759 . 0 0 "[ . 1 . 2]" 4
130 1 70 LEU HA 1 73 LEU MD2 4.500 . 5.500 3.052 2.630 3.298 . 0 0 "[ . 1 . 2]" 4
131 1 70 LEU HA 1 73 LEU H 4.000 . 5.000 3.380 3.138 3.768 . 0 0 "[ . 1 . 2]" 4
132 1 71 LYS HA 1 74 GLN H 4.000 . 5.000 3.852 3.549 4.080 . 0 0 "[ . 1 . 2]" 4
133 1 72 ALA HA 1 75 GLU QB 3.500 . 4.000 2.852 2.391 3.996 . 0 0 "[ . 1 . 2]" 4
134 1 72 ALA HA 1 75 GLU H 4.000 . 5.000 3.565 3.233 4.029 . 0 0 "[ . 1 . 2]" 4
135 1 73 LEU H 1 75 GLU H 4.000 . 5.000 4.401 4.296 4.517 . 0 0 "[ . 1 . 2]" 4
136 1 73 LEU HA 1 76 LYS QB 3.500 . 4.000 2.453 2.091 2.963 . 0 0 "[ . 1 . 2]" 4
137 1 73 LEU HA 1 76 LYS HG2 4.500 . 5.500 5.078 4.427 5.503 0.003 18 0 "[ . 1 . 2]" 4
138 1 73 LEU HA 1 76 LYS H 4.000 . 5.000 3.489 3.231 3.764 . 0 0 "[ . 1 . 2]" 4
139 1 74 GLN HA 1 77 VAL MG2 4.500 . 5.500 3.671 2.526 4.449 . 0 0 "[ . 1 . 2]" 4
140 1 76 LYS HA 1 79 ILE HG13 4.000 . 5.000 4.143 2.685 5.038 0.038 1 0 "[ . 1 . 2]" 4
141 1 77 VAL HA 1 80 LYS H 4.000 . 5.000 4.148 3.498 5.049 0.049 3 0 "[ . 1 . 2]" 4
142 1 77 VAL HB 1 82 LEU HB3 4.000 . 5.000 4.800 4.359 5.087 0.087 2 0 "[ . 1 . 2]" 4
143 1 77 VAL HB 1 82 LEU HB2 4.000 . 5.000 3.999 2.949 4.785 . 0 0 "[ . 1 . 2]" 4
144 1 77 VAL HB 1 82 LEU MD1 4.500 . 5.500 2.465 1.923 3.313 . 0 0 "[ . 1 . 2]" 4
145 1 77 VAL MG2 1 82 LEU HB3 4.500 . 5.500 4.965 4.100 5.626 0.126 8 0 "[ . 1 . 2]" 4
146 1 77 VAL MG2 1 82 LEU HB2 4.500 . 5.500 4.059 3.144 4.779 . 0 0 "[ . 1 . 2]" 4
147 1 81 GLN H 1 83 ASN HB3 4.000 . 5.000 4.895 3.720 5.110 0.110 11 0 "[ . 1 . 2]" 4
148 1 81 GLN H 1 83 ASN HB2 4.000 . 5.000 4.240 3.390 5.094 0.094 11 0 "[ . 1 . 2]" 4
149 1 82 LEU MD2 1 84 HIS HE1 4.500 . 5.500 5.220 4.361 5.547 0.047 2 0 "[ . 1 . 2]" 4
150 1 82 LEU QD 1 85 PHE HB2 5.000 . 6.000 3.068 2.527 3.733 . 0 0 "[ . 1 . 2]" 4
151 1 83 ASN HA 1 86 TRP HB3 4.000 . 5.000 3.548 2.976 4.339 . 0 0 "[ . 1 . 2]" 4
152 1 83 ASN HA 1 86 TRP HB2 4.000 . 5.000 3.590 3.203 4.113 . 0 0 "[ . 1 . 2]" 4
153 1 83 ASN HA 1 86 TRP H 4.000 . 5.000 3.565 3.276 3.914 . 0 0 "[ . 1 . 2]" 4
154 1 84 HIS HA 1 87 GLU HB3 4.000 . 5.000 4.352 3.110 4.993 . 0 0 "[ . 1 . 2]" 4
155 1 84 HIS HA 1 87 GLU HB2 4.000 . 5.000 2.775 2.339 3.318 . 0 0 "[ . 1 . 2]" 4
156 1 84 HIS HA 1 87 GLU HG3 4.000 . 5.000 4.082 3.057 4.925 . 0 0 "[ . 1 . 2]" 4
157 1 84 HIS HA 1 87 GLU H 4.000 . 5.000 3.385 3.101 3.741 . 0 0 "[ . 1 . 2]" 4
158 1 85 PHE HA 1 88 ILE HB 4.000 . 5.000 2.659 2.156 4.020 . 0 0 "[ . 1 . 2]" 4
159 1 85 PHE HA 1 88 ILE MD 4.500 . 5.500 2.438 1.921 4.491 . 0 0 "[ . 1 . 2]" 4
160 1 85 PHE QD 1 88 ILE MD 4.500 . 5.500 3.558 3.040 5.047 . 0 0 "[ . 1 . 2]" 4
161 1 85 PHE HZ 1 89 VAL MG2 4.500 . 5.500 3.897 3.083 5.512 0.012 20 0 "[ . 1 . 2]" 4
162 1 86 TRP HA 1 89 VAL MG1 4.500 . 5.500 3.768 1.810 4.385 . 0 0 "[ . 1 . 2]" 4
163 1 86 TRP HA 1 89 VAL MG2 4.500 . 5.500 3.106 1.833 4.314 . 0 0 "[ . 1 . 2]" 4
164 1 86 TRP HA 1 89 VAL H 4.000 . 5.000 3.490 3.219 3.743 . 0 0 "[ . 1 . 2]" 4
165 1 86 TRP HE3 1 89 VAL QG 6.000 . 7.000 3.129 2.247 3.686 . 0 0 "[ . 1 . 2]" 4
166 1 86 TRP HZ3 1 89 VAL QG 4.500 . 5.500 3.366 2.747 3.947 . 0 0 "[ . 1 . 2]" 4
167 1 86 TRP HA 1 90 VAL MG1 4.500 . 5.500 4.804 4.415 5.604 0.104 4 0 "[ . 1 . 2]" 4
168 1 86 TRP HD1 1 90 VAL MG1 4.500 . 5.500 4.465 3.944 4.899 . 0 0 "[ . 1 . 2]" 4
169 1 86 TRP HE1 1 90 VAL MG1 4.500 . 5.500 4.870 4.354 5.497 . 0 0 "[ . 1 . 2]" 4
170 1 87 GLU HA 1 90 VAL HB 3.500 . 4.000 3.858 2.999 4.061 0.061 17 0 "[ . 1 . 2]" 4
171 1 88 ILE H 1 90 VAL H 4.000 . 5.000 3.739 3.552 4.242 . 0 0 "[ . 1 . 2]" 4
172 1 88 ILE HA 1 91 GLN H 4.000 . 5.000 3.447 3.068 3.829 . 0 0 "[ . 1 . 2]" 4
173 1 88 ILE MG 1 92 ASP H 4.500 . 5.500 4.077 3.585 5.166 . 0 0 "[ . 1 . 2]" 4
174 1 89 VAL HA 1 94 ILE MD 4.500 . 5.500 2.469 1.835 4.638 . 0 0 "[ . 1 . 2]" 4
175 1 89 VAL MG1 1 94 ILE MD 5.000 . 6.000 2.460 1.799 4.137 0.001 2 0 "[ . 1 . 2]" 4
176 1 89 VAL MG1 1 94 ILE HG13 4.500 . 5.500 3.467 1.849 5.210 . 0 0 "[ . 1 . 2]" 4
177 1 89 VAL MG1 1 94 ILE MG 4.500 . 5.500 3.088 2.393 4.582 . 0 0 "[ . 1 . 2]" 4
178 1 89 VAL MG1 1 94 ILE H 4.500 . 5.500 4.179 3.252 5.595 0.095 20 0 "[ . 1 . 2]" 4
179 1 90 VAL HA 1 93 GLY H 4.000 . 5.000 3.634 2.880 4.081 . 0 0 "[ . 1 . 2]" 4
180 1 92 ASP HB3 1 94 ILE HG12 4.000 . 5.000 3.130 1.846 3.981 . 0 0 "[ . 1 . 2]" 4
181 1 92 ASP HB2 1 94 ILE HG12 3.500 . 4.000 3.800 2.459 4.017 0.017 14 0 "[ . 1 . 2]" 4
182 1 97 ILE MG 1 101 GLU HB2 5.000 . 6.000 4.606 3.220 5.912 . 0 0 "[ . 1 . 2]" 4
183 1 97 ILE MG 1 102 ALA MB 4.000 . 4.500 3.160 1.963 4.505 0.005 13 0 "[ . 1 . 2]" 4
184 1 97 ILE MG 1 102 ALA H 4.500 . 5.500 4.958 3.695 5.529 0.029 13 0 "[ . 1 . 2]" 4
185 1 107 VAL MG1 1 111 GLU HB3 3.500 . 4.000 2.715 1.908 3.462 . 0 0 "[ . 1 . 2]" 4
186 1 107 VAL MG1 1 111 GLU HB2 4.000 . 5.000 3.837 3.075 4.699 . 0 0 "[ . 1 . 2]" 4
187 1 107 VAL QG 1 111 GLU HG3 4.500 . 5.500 4.204 3.259 5.084 . 0 0 "[ . 1 . 2]" 4
188 1 107 VAL QG 1 111 GLU HG2 5.000 . 6.000 3.052 1.794 4.058 0.006 5 0 "[ . 1 . 2]" 4
189 1 109 ALA HA 1 112 ALA MB 3.000 . 3.500 3.398 2.771 3.569 0.069 10 0 "[ . 1 . 2]" 4
190 1 110 GLU HA 1 113 LYS H 3.500 . 4.000 3.976 3.377 4.345 0.345 5 0 "[ . 1 . 2]" 4
191 1 112 ALA HA 1 114 LYS H 4.000 . 5.000 5.000 4.872 5.121 0.121 1 0 "[ . 1 . 2]" 4
192 1 112 ALA MB 1 114 LYS H 4.500 . 5.500 4.790 4.659 4.983 . 0 0 "[ . 1 . 2]" 4
193 1 112 ALA HA 1 115 PHE HB3 4.000 . 5.000 4.766 4.460 5.029 0.029 10 0 "[ . 1 . 2]" 4
194 1 112 ALA HA 1 115 PHE HB2 4.000 . 5.000 3.414 3.107 3.717 . 0 0 "[ . 1 . 2]" 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 243
_Distance_constraint_stats_list.Viol_count 622
_Distance_constraint_stats_list.Viol_total 523.283
_Distance_constraint_stats_list.Viol_max 0.374
_Distance_constraint_stats_list.Viol_rms 0.0219
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0054
_Distance_constraint_stats_list.Viol_average_violations_only 0.0421
_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 5 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 6 ALA 0.617 0.076 8 0 "[ . 1 . 2]"
1 9 PHE 0.056 0.021 9 0 "[ . 1 . 2]"
1 10 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 LEU 0.076 0.019 11 0 "[ . 1 . 2]"
1 13 VAL 0.877 0.096 2 0 "[ . 1 . 2]"
1 18 ALA 0.029 0.019 11 0 "[ . 1 . 2]"
1 20 PHE 0.633 0.075 11 0 "[ . 1 . 2]"
1 21 GLU 0.339 0.096 2 0 "[ . 1 . 2]"
1 23 ALA 0.048 0.018 13 0 "[ . 1 . 2]"
1 24 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 LEU 0.406 0.028 15 0 "[ . 1 . 2]"
1 28 ILE 0.022 0.017 16 0 "[ . 1 . 2]"
1 31 ILE 0.536 0.057 5 0 "[ . 1 . 2]"
1 34 PHE 0.130 0.029 5 0 "[ . 1 . 2]"
1 35 LEU 0.236 0.053 5 0 "[ . 1 . 2]"
1 42 TYR 0.029 0.029 5 0 "[ . 1 . 2]"
1 43 PHE 0.806 0.055 4 0 "[ . 1 . 2]"
1 44 MET 0.012 0.012 11 0 "[ . 1 . 2]"
1 46 SER 0.133 0.033 11 0 "[ . 1 . 2]"
1 47 ILE 0.349 0.056 11 0 "[ . 1 . 2]"
1 48 ASP 0.015 0.010 13 0 "[ . 1 . 2]"
1 49 CYS 0.192 0.028 15 0 "[ . 1 . 2]"
1 50 ILE 5.350 0.261 2 0 "[ . 1 . 2]"
1 51 ARG 0.017 0.017 10 0 "[ . 1 . 2]"
1 52 ALA 0.717 0.076 8 0 "[ . 1 . 2]"
1 53 PHE 0.020 0.015 6 0 "[ . 1 . 2]"
1 54 ARG 2.034 0.374 2 0 "[ . 1 . 2]"
1 56 GLU 0.174 0.031 20 0 "[ . 1 . 2]"
1 57 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 58 ILE 0.067 0.036 20 0 "[ . 1 . 2]"
1 62 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 63 GLU 0.005 0.005 13 0 "[ . 1 . 2]"
1 65 ARG 0.020 0.006 9 0 "[ . 1 . 2]"
1 66 PHE 1.265 0.374 2 0 "[ . 1 . 2]"
1 67 ASN 1.656 0.175 17 0 "[ . 1 . 2]"
1 69 PHE 0.022 0.017 16 0 "[ . 1 . 2]"
1 70 LEU 4.208 0.218 2 0 "[ . 1 . 2]"
1 71 LYS 0.271 0.046 10 0 "[ . 1 . 2]"
1 73 LEU 0.361 0.038 3 0 "[ . 1 . 2]"
1 77 VAL 0.306 0.043 11 0 "[ . 1 . 2]"
1 82 LEU 0.133 0.021 13 0 "[ . 1 . 2]"
1 83 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 85 PHE 2.069 0.099 11 0 "[ . 1 . 2]"
1 86 TRP 1.526 0.067 7 0 "[ . 1 . 2]"
1 88 ILE 0.012 0.012 11 0 "[ . 1 . 2]"
1 89 VAL 0.161 0.056 11 0 "[ . 1 . 2]"
1 90 VAL 0.764 0.121 17 0 "[ . 1 . 2]"
1 92 ASP 0.187 0.046 8 0 "[ . 1 . 2]"
1 93 GLY 0.643 0.088 19 0 "[ . 1 . 2]"
1 94 ILE 0.381 0.049 17 0 "[ . 1 . 2]"
1 95 THR 2.514 0.218 2 0 "[ . 1 . 2]"
1 96 LEU 2.368 0.181 1 0 "[ . 1 . 2]"
1 97 ILE 6.498 0.295 5 0 "[ . 1 . 2]"
1 98 THR 0.065 0.020 8 0 "[ . 1 . 2]"
1 99 LYS 0.659 0.229 8 0 "[ . 1 . 2]"
1 101 GLU 0.306 0.123 5 0 "[ . 1 . 2]"
1 102 ALA 0.005 0.005 13 0 "[ . 1 . 2]"
1 106 SER 0.322 0.229 8 0 "[ . 1 . 2]"
1 107 VAL 4.017 0.181 1 0 "[ . 1 . 2]"
1 109 ALA 0.016 0.016 17 0 "[ . 1 . 2]"
1 111 GLU 3.180 0.295 5 0 "[ . 1 . 2]"
1 112 ALA 0.288 0.078 10 0 "[ . 1 . 2]"
1 115 PHE 2.061 0.141 7 0 "[ . 1 . 2]"
1 116 LEU 2.119 0.121 17 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 5 PRO QB 1 27 LEU MD2 4.000 . 5.000 2.796 2.235 3.304 . 0 0 "[ . 1 . 2]" 5
2 1 6 ALA HA 1 27 LEU MD2 4.500 . 5.500 3.302 2.742 3.902 . 0 0 "[ . 1 . 2]" 5
3 1 6 ALA MB 1 27 LEU MD2 5.000 . 6.000 4.081 3.678 4.512 . 0 0 "[ . 1 . 2]" 5
4 1 6 ALA HA 1 27 LEU HG 4.000 . 5.000 4.689 4.136 5.010 0.010 5 0 "[ . 1 . 2]" 5
5 1 6 ALA MB 1 48 ASP HB3 4.500 . 5.500 4.006 3.811 4.467 . 0 0 "[ . 1 . 2]" 5
6 1 6 ALA MB 1 48 ASP HB2 4.500 . 5.500 5.376 5.169 5.510 0.010 13 0 "[ . 1 . 2]" 5
7 1 6 ALA MB 1 49 CYS HA 4.000 . 5.000 3.131 2.624 3.530 . 0 0 "[ . 1 . 2]" 5
8 1 6 ALA MB 1 49 CYS H 4.500 . 5.500 5.082 4.635 5.483 . 0 0 "[ . 1 . 2]" 5
9 1 6 ALA HA 1 52 ALA MB 4.500 . 5.500 3.180 2.897 3.462 . 0 0 "[ . 1 . 2]" 5
10 1 6 ALA MB 1 52 ALA H 3.500 . 4.000 4.024 3.892 4.076 0.076 8 0 "[ . 1 . 2]" 5
11 1 9 PHE HA 1 23 ALA MB 4.500 . 5.500 3.459 3.081 3.817 . 0 0 "[ . 1 . 2]" 5
12 1 9 PHE QD 1 23 ALA MB 4.500 . 5.500 2.003 1.828 2.529 . 0 0 "[ . 1 . 2]" 5
13 1 9 PHE QE 1 23 ALA MB 4.500 . 5.500 2.335 1.936 2.956 . 0 0 "[ . 1 . 2]" 5
14 1 9 PHE QE 1 24 SER HA 4.000 . 5.000 3.717 2.609 4.821 . 0 0 "[ . 1 . 2]" 5
15 1 9 PHE QB 1 27 LEU HB3 4.500 . 5.500 5.290 5.001 5.521 0.021 9 0 "[ . 1 . 2]" 5
16 1 9 PHE QB 1 27 LEU HB2 4.500 . 5.500 4.163 3.828 4.602 . 0 0 "[ . 1 . 2]" 5
17 1 9 PHE QB 1 27 LEU MD1 4.500 . 5.500 3.640 2.280 4.593 . 0 0 "[ . 1 . 2]" 5
18 1 9 PHE QB 1 27 LEU MD2 4.000 . 5.000 2.674 1.883 3.903 . 0 0 "[ . 1 . 2]" 5
19 1 9 PHE QD 1 27 LEU MD1 4.500 . 5.500 3.959 2.615 4.869 . 0 0 "[ . 1 . 2]" 5
20 1 9 PHE QD 1 27 LEU MD2 4.500 . 5.500 3.531 2.558 4.694 . 0 0 "[ . 1 . 2]" 5
21 1 9 PHE H 1 27 LEU MD2 4.500 . 5.500 4.546 3.848 5.513 0.013 14 0 "[ . 1 . 2]" 5
22 1 9 PHE QB 1 52 ALA MB 4.500 . 5.500 4.500 4.053 4.948 . 0 0 "[ . 1 . 2]" 5
23 1 9 PHE QD 1 52 ALA MB 4.500 . 5.500 3.416 2.975 3.725 . 0 0 "[ . 1 . 2]" 5
24 1 9 PHE QE 1 52 ALA MB 4.500 . 5.500 3.771 3.298 4.464 . 0 0 "[ . 1 . 2]" 5
25 1 9 PHE QE 1 53 PHE HA 4.000 . 5.000 3.233 2.540 3.639 . 0 0 "[ . 1 . 2]" 5
26 1 9 PHE HZ 1 53 PHE HA 4.000 . 5.000 3.991 3.566 4.624 . 0 0 "[ . 1 . 2]" 5
27 1 9 PHE QE 1 56 GLU HB3 4.000 . 5.000 3.474 2.830 3.920 . 0 0 "[ . 1 . 2]" 5
28 1 9 PHE QE 1 56 GLU HB2 4.500 2.300 5.500 2.810 2.306 3.307 . 0 0 "[ . 1 . 2]" 5
29 1 9 PHE QE 1 56 GLU HG3 4.000 . 5.000 2.411 1.956 3.585 . 0 0 "[ . 1 . 2]" 5
30 1 9 PHE QE 1 56 GLU HG2 4.000 . 5.000 4.046 3.675 4.768 . 0 0 "[ . 1 . 2]" 5
31 1 9 PHE HZ 1 56 GLU HB3 4.000 . 5.000 3.297 2.826 4.593 . 0 0 "[ . 1 . 2]" 5
32 1 10 ARG HG2 1 52 ALA MB 5.000 . 6.000 4.387 3.678 4.738 . 0 0 "[ . 1 . 2]" 5
33 1 10 ARG HG3 1 56 GLU HG2 4.500 . 5.500 4.800 4.290 5.493 . 0 0 "[ . 1 . 2]" 5
34 1 12 LEU HB2 1 18 ALA MB 4.500 . 5.500 4.777 2.176 5.519 0.019 11 0 "[ . 1 . 2]" 5
35 1 12 LEU HB2 1 23 ALA MB 4.000 . 5.000 4.403 3.663 5.016 0.016 12 0 "[ . 1 . 2]" 5
36 1 12 LEU MD2 1 18 ALA MB 4.500 . 5.500 2.699 1.838 4.094 . 0 0 "[ . 1 . 2]" 5
37 1 12 LEU MD1 1 23 ALA HA 4.500 . 5.500 4.740 3.626 5.518 0.018 13 0 "[ . 1 . 2]" 5
38 1 12 LEU MD2 1 23 ALA HA 4.000 . 5.000 3.949 2.379 5.008 0.008 9 0 "[ . 1 . 2]" 5
39 1 12 LEU MD2 1 23 ALA MB 4.500 . 5.500 2.939 1.853 4.392 . 0 0 "[ . 1 . 2]" 5
40 1 13 VAL MG1 1 20 PHE HA 4.500 . 5.500 3.096 2.541 3.774 . 0 0 "[ . 1 . 2]" 5
41 1 13 VAL MG1 1 20 PHE QD 4.500 . 5.500 3.056 2.271 3.925 . 0 0 "[ . 1 . 2]" 5
42 1 13 VAL MG2 1 20 PHE HA 4.500 . 5.500 5.256 4.892 5.575 0.075 11 0 "[ . 1 . 2]" 5
43 1 13 VAL MG2 1 20 PHE QD 4.500 . 5.500 4.046 3.768 4.338 . 0 0 "[ . 1 . 2]" 5
44 1 13 VAL MG2 1 20 PHE QE 4.500 . 5.500 3.743 3.178 4.176 . 0 0 "[ . 1 . 2]" 5
45 1 13 VAL HB 1 20 PHE QD 4.000 . 5.000 3.669 3.273 4.125 . 0 0 "[ . 1 . 2]" 5
46 1 13 VAL HB 1 20 PHE QE 4.000 . 5.000 4.615 4.066 5.010 0.010 8 0 "[ . 1 . 2]" 5
47 1 13 VAL MG1 1 21 GLU H 4.500 . 5.500 5.130 4.538 5.596 0.096 2 0 "[ . 1 . 2]" 5
48 1 13 VAL MG1 1 23 ALA MB 4.500 . 5.500 2.287 1.975 2.830 . 0 0 "[ . 1 . 2]" 5
49 1 13 VAL MG1 1 23 ALA H 4.500 . 5.500 4.284 3.924 4.701 . 0 0 "[ . 1 . 2]" 5
50 1 13 VAL MG2 1 23 ALA MB 5.000 . 6.000 3.991 3.692 4.369 . 0 0 "[ . 1 . 2]" 5
51 1 13 VAL MG2 1 56 GLU HB3 4.500 . 5.500 4.379 3.862 4.749 . 0 0 "[ . 1 . 2]" 5
52 1 13 VAL MG2 1 56 GLU HB2 4.500 . 5.500 5.221 4.644 5.525 0.025 18 0 "[ . 1 . 2]" 5
53 1 13 VAL MG2 1 56 GLU HG3 4.500 . 5.500 4.630 3.675 5.166 . 0 0 "[ . 1 . 2]" 5
54 1 13 VAL MG2 1 56 GLU HG2 4.500 . 5.500 5.188 4.473 5.518 0.018 18 0 "[ . 1 . 2]" 5
55 1 20 PHE QD 1 56 GLU HB3 4.000 . 5.000 4.838 4.375 5.031 0.031 20 0 "[ . 1 . 2]" 5
56 1 20 PHE QE 1 56 GLU HB3 4.500 . 5.500 2.683 2.307 3.025 . 0 0 "[ . 1 . 2]" 5
57 1 20 PHE QE 1 56 GLU HB2 4.500 . 5.500 3.713 3.018 4.036 . 0 0 "[ . 1 . 2]" 5
58 1 20 PHE HZ 1 57 ALA HA 4.000 . 5.000 3.421 2.342 4.117 . 0 0 "[ . 1 . 2]" 5
59 1 20 PHE HZ 1 57 ALA MB 4.500 . 5.500 2.946 2.066 3.674 . 0 0 "[ . 1 . 2]" 5
60 1 20 PHE QE 1 62 GLU HB2 4.000 . 5.000 3.678 2.756 4.607 . 0 0 "[ . 1 . 2]" 5
61 1 20 PHE QD 1 65 ARG HD3 4.500 . 5.500 4.856 4.233 5.503 0.003 3 0 "[ . 1 . 2]" 5
62 1 20 PHE QD 1 65 ARG HD2 4.000 . 5.000 4.584 4.087 5.006 0.006 9 0 "[ . 1 . 2]" 5
63 1 20 PHE QE 1 65 ARG HD3 4.000 . 5.000 4.210 2.747 5.005 0.005 5 0 "[ . 1 . 2]" 5
64 1 27 LEU MD1 1 49 CYS HA 4.500 . 5.500 3.694 3.143 4.483 . 0 0 "[ . 1 . 2]" 5
65 1 27 LEU MD1 1 49 CYS HB3 4.500 . 5.500 2.991 2.069 4.420 . 0 0 "[ . 1 . 2]" 5
66 1 27 LEU MD2 1 49 CYS HA 4.500 . 5.500 4.194 3.025 4.828 . 0 0 "[ . 1 . 2]" 5
67 1 27 LEU MD2 1 49 CYS HB3 4.500 . 5.500 3.696 2.257 4.410 . 0 0 "[ . 1 . 2]" 5
68 1 27 LEU MD2 1 49 CYS HB2 4.500 . 5.500 4.930 3.595 5.528 0.028 15 0 "[ . 1 . 2]" 5
69 1 27 LEU MD1 1 52 ALA MB 5.000 . 6.000 3.846 3.403 4.296 . 0 0 "[ . 1 . 2]" 5
70 1 27 LEU MD1 1 52 ALA H 4.500 . 5.500 5.409 5.068 5.520 0.020 9 0 "[ . 1 . 2]" 5
71 1 27 LEU MD1 1 53 PHE HA 4.000 . 5.000 4.381 3.326 5.015 0.015 6 0 "[ . 1 . 2]" 5
72 1 27 LEU MD1 1 53 PHE HB3 4.500 . 5.500 4.349 3.927 4.631 . 0 0 "[ . 1 . 2]" 5
73 1 27 LEU MD1 1 53 PHE HB2 4.500 . 5.500 2.991 2.378 3.292 . 0 0 "[ . 1 . 2]" 5
74 1 27 LEU MD1 1 53 PHE QD 4.500 . 5.500 2.339 1.911 3.833 . 0 0 "[ . 1 . 2]" 5
75 1 27 LEU MD1 1 53 PHE H 4.500 . 5.500 4.260 4.018 4.477 . 0 0 "[ . 1 . 2]" 5
76 1 28 ILE MD 1 53 PHE HZ 4.500 . 5.500 3.754 2.333 4.847 . 0 0 "[ . 1 . 2]" 5
77 1 28 ILE MD 1 69 PHE HB2 4.500 . 5.500 4.678 3.815 5.517 0.017 16 0 "[ . 1 . 2]" 5
78 1 28 ILE MD 1 69 PHE QD 4.500 . 5.500 4.228 3.519 5.241 . 0 0 "[ . 1 . 2]" 5
79 1 28 ILE MD 1 69 PHE QE 4.500 . 5.500 4.405 3.582 5.506 0.006 16 0 "[ . 1 . 2]" 5
80 1 31 ILE MD 1 46 SER HB3 4.500 . 5.500 4.575 4.200 4.858 . 0 0 "[ . 1 . 2]" 5
81 1 31 ILE MG 1 46 SER HA 4.500 . 5.500 3.083 2.608 3.755 . 0 0 "[ . 1 . 2]" 5
82 1 31 ILE MG 1 46 SER HB3 4.500 . 5.500 2.355 2.013 2.592 . 0 0 "[ . 1 . 2]" 5
83 1 31 ILE MG 1 46 SER HB2 4.500 . 5.500 3.768 2.704 4.119 . 0 0 "[ . 1 . 2]" 5
84 1 31 ILE MD 1 49 CYS HB3 4.500 . 5.500 2.344 1.984 2.799 . 0 0 "[ . 1 . 2]" 5
85 1 31 ILE MD 1 49 CYS HB2 4.500 . 5.500 3.185 2.912 3.663 . 0 0 "[ . 1 . 2]" 5
86 1 31 ILE HG13 1 49 CYS HB3 4.000 . 5.000 3.189 2.980 3.609 . 0 0 "[ . 1 . 2]" 5
87 1 31 ILE HG13 1 49 CYS HB2 4.000 . 5.000 3.916 3.560 4.467 . 0 0 "[ . 1 . 2]" 5
88 1 31 ILE MG 1 49 CYS HB3 4.500 . 5.500 4.212 3.738 4.862 . 0 0 "[ . 1 . 2]" 5
89 1 31 ILE MG 1 49 CYS HB2 4.500 . 5.500 3.888 3.523 4.420 . 0 0 "[ . 1 . 2]" 5
90 1 31 ILE MD 1 50 ILE HG13 4.000 . 5.000 3.595 3.509 3.769 . 0 0 "[ . 1 . 2]" 5
91 1 31 ILE MD 1 50 ILE HG12 4.000 . 5.000 5.027 5.003 5.057 0.057 5 0 "[ . 1 . 2]" 5
92 1 31 ILE MD 1 50 ILE H 4.500 . 5.500 3.672 3.250 4.222 . 0 0 "[ . 1 . 2]" 5
93 1 31 ILE MG 1 50 ILE HA 5.000 . 6.000 5.168 4.827 5.565 . 0 0 "[ . 1 . 2]" 5
94 1 31 ILE MD 1 53 PHE QD 4.500 . 5.500 3.638 2.427 4.959 . 0 0 "[ . 1 . 2]" 5
95 1 34 PHE HB3 1 42 TYR QB 3.500 . 4.000 3.408 2.807 4.029 0.029 5 0 "[ . 1 . 2]" 5
96 1 34 PHE QD 1 46 SER HB3 4.000 . 5.000 4.904 4.144 5.015 0.015 9 0 "[ . 1 . 2]" 5
97 1 35 LEU HA 1 43 PHE QD 4.000 . 5.000 4.741 4.211 5.053 0.053 5 0 "[ . 1 . 2]" 5
98 1 35 LEU HA 1 43 PHE QE 3.500 . 4.000 3.715 2.933 4.047 0.047 5 0 "[ . 1 . 2]" 5
99 1 35 LEU HA 1 43 PHE HZ 4.000 . 5.000 4.143 3.101 5.031 0.031 5 0 "[ . 1 . 2]" 5
100 1 35 LEU MD1 1 43 PHE QD 4.500 . 5.500 5.223 3.610 5.518 0.018 18 0 "[ . 1 . 2]" 5
101 1 35 LEU MD1 1 43 PHE QE 4.500 . 5.500 4.346 2.325 4.730 . 0 0 "[ . 1 . 2]" 5
102 1 35 LEU MD1 1 46 SER HB3 4.500 . 5.500 4.239 3.624 5.096 . 0 0 "[ . 1 . 2]" 5
103 1 35 LEU MD2 1 73 LEU MD1 5.000 . 6.000 4.259 3.714 5.079 . 0 0 "[ . 1 . 2]" 5
104 1 35 LEU MD1 1 82 LEU MD1 5.000 . 6.000 3.625 2.472 4.614 . 0 0 "[ . 1 . 2]" 5
105 1 35 LEU MD2 1 82 LEU MD1 5.000 . 6.000 2.968 1.955 4.486 . 0 0 "[ . 1 . 2]" 5
106 1 35 LEU MD1 1 85 PHE QD 4.500 . 5.500 4.936 3.735 5.501 0.001 19 0 "[ . 1 . 2]" 5
107 1 35 LEU MD1 1 85 PHE QE 4.500 . 5.500 4.877 4.278 5.364 . 0 0 "[ . 1 . 2]" 5
108 1 43 PHE HZ 1 82 LEU MD2 4.500 . 5.500 5.256 4.364 5.521 0.021 13 0 "[ . 1 . 2]" 5
109 1 43 PHE HB3 1 85 PHE QD 4.000 . 5.000 3.494 3.154 3.628 . 0 0 "[ . 1 . 2]" 5
110 1 43 PHE HB2 1 85 PHE QD 4.000 . 5.000 5.003 4.786 5.055 0.055 4 0 "[ . 1 . 2]" 5
111 1 43 PHE HB3 1 88 ILE MD 4.500 . 5.500 3.178 2.417 4.084 . 0 0 "[ . 1 . 2]" 5
112 1 43 PHE HB2 1 88 ILE MD 4.500 . 5.500 3.913 2.915 5.124 . 0 0 "[ . 1 . 2]" 5
113 1 44 MET ME 1 88 ILE MG 5.000 . 6.000 5.187 3.513 6.012 0.012 11 0 "[ . 1 . 2]" 5
114 1 44 MET QG 1 88 ILE MD 5.000 . 6.000 4.948 3.458 5.938 . 0 0 "[ . 1 . 2]" 5
115 1 46 SER HA 1 85 PHE QE 4.000 . 5.000 4.649 4.487 5.033 0.033 11 0 "[ . 1 . 2]" 5
116 1 46 SER HB3 1 85 PHE QE 4.000 . 5.000 3.214 2.613 3.933 . 0 0 "[ . 1 . 2]" 5
117 1 47 ILE HG13 1 88 ILE MG 4.500 . 5.500 3.742 2.071 4.302 . 0 0 "[ . 1 . 2]" 5
118 1 47 ILE MD 1 89 VAL HA 4.500 . 5.500 4.045 3.029 4.613 . 0 0 "[ . 1 . 2]" 5
119 1 47 ILE MD 1 89 VAL MG1 4.500 . 5.500 4.996 3.029 5.556 0.056 11 0 "[ . 1 . 2]" 5
120 1 47 ILE MD 1 89 VAL MG2 4.500 . 5.500 3.906 2.435 5.388 . 0 0 "[ . 1 . 2]" 5
121 1 47 ILE MD 1 89 VAL H 4.500 . 5.500 4.489 3.806 5.196 . 0 0 "[ . 1 . 2]" 5
122 1 47 ILE MD 1 92 ASP HB3 4.500 . 5.500 5.213 4.489 5.546 0.046 8 0 "[ . 1 . 2]" 5
123 1 47 ILE MD 1 92 ASP HB2 4.500 . 5.500 4.471 3.688 4.989 . 0 0 "[ . 1 . 2]" 5
124 1 47 ILE MG 1 92 ASP HB3 4.000 . 5.000 4.025 3.068 5.017 0.017 10 0 "[ . 1 . 2]" 5
125 1 47 ILE MG 1 92 ASP HB2 4.000 . 5.000 3.817 2.895 4.473 . 0 0 "[ . 1 . 2]" 5
126 1 47 ILE HA 1 94 ILE MD 4.000 . 5.000 4.313 3.556 4.897 . 0 0 "[ . 1 . 2]" 5
127 1 50 ILE MG 1 66 PHE HZ 4.500 . 5.500 3.728 2.851 5.065 . 0 0 "[ . 1 . 2]" 5
128 1 50 ILE MD 1 85 PHE QE 4.500 . 5.500 2.371 2.280 2.474 . 0 0 "[ . 1 . 2]" 5
129 1 50 ILE MD 1 85 PHE HZ 4.500 . 5.500 2.942 2.247 3.544 . 0 0 "[ . 1 . 2]" 5
130 1 50 ILE HG13 1 85 PHE QE 4.000 . 5.000 5.023 4.967 5.060 0.060 3 0 "[ . 1 . 2]" 5
131 1 50 ILE HG12 1 85 PHE QE 4.000 . 5.000 5.055 5.021 5.099 0.099 11 0 "[ . 1 . 2]" 5
132 1 50 ILE MG 1 85 PHE QE 4.500 . 5.500 3.789 3.300 4.313 . 0 0 "[ . 1 . 2]" 5
133 1 50 ILE MD 1 89 VAL QG 6.000 . 7.000 3.159 2.743 3.467 . 0 0 "[ . 1 . 2]" 5
134 1 50 ILE MG 1 89 VAL QG 6.000 . 7.000 3.080 2.707 3.452 . 0 0 "[ . 1 . 2]" 5
135 1 50 ILE HB 1 94 ILE MD 4.500 . 5.500 5.310 4.226 5.549 0.049 17 0 "[ . 1 . 2]" 5
136 1 50 ILE MG 1 94 ILE MD 4.500 . 5.500 2.951 2.200 3.290 . 0 0 "[ . 1 . 2]" 5
137 1 50 ILE MG 1 94 ILE MG 3.500 . 4.000 3.234 2.272 4.015 0.015 19 0 "[ . 1 . 2]" 5
138 1 50 ILE HG12 1 97 ILE MD 4.500 . 5.500 5.650 5.560 5.761 0.261 2 0 "[ . 1 . 2]" 5
139 1 51 ARG QD 1 94 ILE MD 4.500 . 5.500 3.359 2.005 4.317 . 0 0 "[ . 1 . 2]" 5
140 1 51 ARG HG3 1 94 ILE MD 4.000 . 5.000 3.468 2.696 3.953 . 0 0 "[ . 1 . 2]" 5
141 1 51 ARG HG2 1 94 ILE MD 3.000 . 3.500 2.976 2.048 3.485 . 0 0 "[ . 1 . 2]" 5
142 1 51 ARG H 1 94 ILE MD 4.500 . 5.500 5.123 4.658 5.517 0.017 10 0 "[ . 1 . 2]" 5
143 1 54 ARG HA 1 66 PHE HE1 4.500 . 5.500 4.615 3.301 5.874 0.374 2 0 "[ . 1 . 2]" 5
144 1 54 ARG HB3 1 66 PHE QD 4.000 . 5.000 4.837 3.556 5.106 0.106 7 0 "[ . 1 . 2]" 5
145 1 54 ARG HG2 1 70 LEU MD2 5.000 . 6.000 6.029 5.980 6.072 0.072 4 0 "[ . 1 . 2]" 5
146 1 54 ARG HD3 1 94 ILE MG 4.000 . 5.000 4.129 2.513 5.023 0.023 7 0 "[ . 1 . 2]" 5
147 1 54 ARG HD2 1 94 ILE MG 4.000 . 5.000 4.034 3.234 5.032 0.032 7 0 "[ . 1 . 2]" 5
148 1 54 ARG HE 1 94 ILE MG 4.500 . 5.500 3.894 2.576 5.489 . 0 0 "[ . 1 . 2]" 5
149 1 54 ARG HA 1 97 ILE MD 4.500 . 5.500 3.881 3.405 4.228 . 0 0 "[ . 1 . 2]" 5
150 1 54 ARG HG3 1 97 ILE MD 4.500 . 5.500 3.698 2.204 5.182 . 0 0 "[ . 1 . 2]" 5
151 1 54 ARG HG2 1 97 ILE MD 4.500 . 5.500 2.856 1.966 4.886 . 0 0 "[ . 1 . 2]" 5
152 1 57 ALA MB 1 63 GLU HA 4.500 . 5.500 3.036 2.296 4.011 . 0 0 "[ . 1 . 2]" 5
153 1 57 ALA MB 1 66 PHE HB3 4.500 . 5.500 4.616 3.857 5.245 . 0 0 "[ . 1 . 2]" 5
154 1 57 ALA MB 1 66 PHE HB2 5.000 . 6.000 3.415 2.912 4.191 . 0 0 "[ . 1 . 2]" 5
155 1 58 ILE HA 1 97 ILE MD 4.500 . 5.500 5.052 4.514 5.488 . 0 0 "[ . 1 . 2]" 5
156 1 58 ILE MD 1 97 ILE HA 4.500 . 5.500 4.599 2.711 5.536 0.036 20 0 "[ . 1 . 2]" 5
157 1 58 ILE HA 1 102 ALA MB 4.500 . 5.500 3.727 2.226 4.822 . 0 0 "[ . 1 . 2]" 5
158 1 63 GLU HA 1 97 ILE MD 4.500 . 5.500 4.372 3.465 5.342 . 0 0 "[ . 1 . 2]" 5
159 1 63 GLU HG3 1 102 ALA MB 4.000 . 5.000 3.655 2.130 5.005 0.005 13 0 "[ . 1 . 2]" 5
160 1 63 GLU HG2 1 102 ALA MB 4.500 . 5.500 4.372 3.587 5.144 . 0 0 "[ . 1 . 2]" 5
161 1 66 PHE HB3 1 97 ILE MD 4.500 . 5.500 2.308 1.864 3.689 . 0 0 "[ . 1 . 2]" 5
162 1 66 PHE HB2 1 97 ILE MD 4.500 . 5.500 3.348 2.730 4.259 . 0 0 "[ . 1 . 2]" 5
163 1 66 PHE QD 1 97 ILE MD 4.500 . 5.500 2.586 1.978 3.546 . 0 0 "[ . 1 . 2]" 5
164 1 66 PHE QE 1 97 ILE MD 4.500 . 5.500 3.828 2.216 4.678 . 0 0 "[ . 1 . 2]" 5
165 1 67 ASN HA 1 96 LEU MD1 4.500 . 5.500 3.544 2.987 4.003 . 0 0 "[ . 1 . 2]" 5
166 1 67 ASN HB3 1 96 LEU MD1 4.000 . 5.000 4.084 3.100 4.701 . 0 0 "[ . 1 . 2]" 5
167 1 67 ASN HB2 1 96 LEU MD1 4.000 . 5.000 4.447 3.397 5.086 0.086 5 0 "[ . 1 . 2]" 5
168 1 67 ASN HD21 1 97 ILE HB 4.500 . 5.500 2.964 1.817 4.634 . 0 0 "[ . 1 . 2]" 5
169 1 67 ASN HD21 1 107 VAL MG2 4.500 . 5.500 3.749 2.802 4.752 . 0 0 "[ . 1 . 2]" 5
170 1 67 ASN HD22 1 107 VAL MG1 4.500 . 5.500 5.554 5.094 5.675 0.175 17 0 "[ . 1 . 2]" 5
171 1 67 ASN HD22 1 107 VAL MG2 4.500 . 5.500 4.098 3.394 4.946 . 0 0 "[ . 1 . 2]" 5
172 1 67 ASN HB3 1 107 VAL QG 5.000 . 6.000 4.220 3.600 5.025 . 0 0 "[ . 1 . 2]" 5
173 1 67 ASN HB2 1 107 VAL QG 5.000 . 6.000 4.674 3.818 5.423 . 0 0 "[ . 1 . 2]" 5
174 1 70 LEU MD1 1 95 THR HA 4.500 . 5.500 5.608 5.427 5.718 0.218 2 0 "[ . 1 . 2]" 5
175 1 70 LEU HB3 1 96 LEU MD1 4.500 . 5.500 2.377 1.927 2.940 . 0 0 "[ . 1 . 2]" 5
176 1 70 LEU HB2 1 96 LEU MD1 4.500 . 5.500 3.373 2.878 3.766 . 0 0 "[ . 1 . 2]" 5
177 1 70 LEU HB2 1 96 LEU MD2 4.500 . 5.500 4.586 2.462 5.516 0.016 18 0 "[ . 1 . 2]" 5
178 1 70 LEU MD1 1 96 LEU HA 4.500 . 5.500 2.509 2.097 2.948 . 0 0 "[ . 1 . 2]" 5
179 1 70 LEU MD1 1 96 LEU MD1 4.500 . 5.500 1.924 1.754 3.125 0.046 7 0 "[ . 1 . 2]" 5
180 1 70 LEU MD1 1 96 LEU H 4.500 . 5.500 4.707 4.420 5.160 . 0 0 "[ . 1 . 2]" 5
181 1 70 LEU MD1 1 97 ILE HA 4.500 . 5.500 4.947 4.577 5.557 0.057 10 0 "[ . 1 . 2]" 5
182 1 70 LEU MD1 1 115 PHE QD 4.000 . 5.000 4.392 3.398 5.019 0.019 1 0 "[ . 1 . 2]" 5
183 1 70 LEU MD1 1 115 PHE QE 4.000 . 5.000 4.409 3.649 4.937 . 0 0 "[ . 1 . 2]" 5
184 1 70 LEU MD1 1 115 PHE HZ 4.500 . 5.500 5.503 4.838 5.641 0.141 7 0 "[ . 1 . 2]" 5
185 1 71 LYS HG3 1 96 LEU MD1 4.500 . 5.500 4.202 3.467 4.897 . 0 0 "[ . 1 . 2]" 5
186 1 71 LYS HG2 1 96 LEU MD1 4.500 . 5.500 4.598 3.577 5.359 . 0 0 "[ . 1 . 2]" 5
187 1 71 LYS HA 1 115 PHE QE 4.000 . 5.000 2.787 2.330 3.686 . 0 0 "[ . 1 . 2]" 5
188 1 71 LYS HA 1 115 PHE HZ 4.000 . 5.000 1.877 1.754 2.812 0.046 10 0 "[ . 1 . 2]" 5
189 1 71 LYS HG3 1 115 PHE QE 4.000 . 5.000 3.821 2.920 4.678 . 0 0 "[ . 1 . 2]" 5
190 1 73 LEU MD2 1 85 PHE QE 4.500 . 5.500 3.038 2.337 3.735 . 0 0 "[ . 1 . 2]" 5
191 1 73 LEU MD2 1 85 PHE HZ 5.000 . 6.000 5.045 4.379 5.556 . 0 0 "[ . 1 . 2]" 5
192 1 73 LEU MD2 1 86 TRP HE3 4.500 . 5.500 3.505 2.321 4.227 . 0 0 "[ . 1 . 2]" 5
193 1 73 LEU MD2 1 86 TRP HH2 4.500 . 5.500 5.163 4.010 5.513 0.013 5 0 "[ . 1 . 2]" 5
194 1 73 LEU MD2 1 86 TRP HZ3 4.500 . 5.500 3.266 2.384 3.696 . 0 0 "[ . 1 . 2]" 5
195 1 73 LEU HG 1 86 TRP HE3 4.500 . 5.500 4.642 4.282 5.036 . 0 0 "[ . 1 . 2]" 5
196 1 73 LEU HG 1 86 TRP HZ3 4.000 . 5.000 4.993 4.589 5.038 0.038 3 0 "[ . 1 . 2]" 5
197 1 77 VAL MG1 1 83 ASN HA 4.500 . 5.500 4.397 4.095 4.765 . 0 0 "[ . 1 . 2]" 5
198 1 77 VAL MG1 1 86 TRP HB3 4.500 . 5.500 4.772 3.668 5.543 0.043 8 0 "[ . 1 . 2]" 5
199 1 77 VAL MG1 1 86 TRP HB2 4.500 . 5.500 3.541 2.627 4.302 . 0 0 "[ . 1 . 2]" 5
200 1 77 VAL MG1 1 86 TRP HE3 4.500 . 5.500 4.014 2.973 4.790 . 0 0 "[ . 1 . 2]" 5
201 1 77 VAL MG1 1 86 TRP HZ3 5.000 . 6.000 5.050 3.693 6.034 0.034 16 0 "[ . 1 . 2]" 5
202 1 77 VAL MG2 1 86 TRP HB3 5.000 . 6.000 3.254 2.700 3.923 . 0 0 "[ . 1 . 2]" 5
203 1 77 VAL MG2 1 86 TRP HB2 5.000 . 6.000 2.239 1.757 2.764 0.043 11 0 "[ . 1 . 2]" 5
204 1 82 LEU QD 1 89 VAL MG2 6.000 . 7.000 5.011 4.109 6.292 . 0 0 "[ . 1 . 2]" 5
205 1 86 TRP HZ2 1 115 PHE QE 4.000 . 5.000 4.948 4.179 5.058 0.058 17 0 "[ . 1 . 2]" 5
206 1 86 TRP HH2 1 116 LEU HG 4.000 . 5.000 5.003 4.841 5.032 0.032 16 0 "[ . 1 . 2]" 5
207 1 86 TRP HZ2 1 116 LEU MD1 4.500 . 5.500 4.878 3.061 5.567 0.067 7 0 "[ . 1 . 2]" 5
208 1 90 VAL HA 1 116 LEU MD2 3.000 . 3.500 3.257 2.550 3.522 0.022 16 0 "[ . 1 . 2]" 5
209 1 90 VAL MG1 1 116 LEU HA 4.500 . 5.500 5.466 5.079 5.621 0.121 17 0 "[ . 1 . 2]" 5
210 1 93 GLY HA3 1 116 LEU MD2 4.500 . 5.500 5.399 4.452 5.588 0.088 19 0 "[ . 1 . 2]" 5
211 1 93 GLY HA2 1 116 LEU MD2 4.500 . 5.500 4.166 3.374 4.422 . 0 0 "[ . 1 . 2]" 5
212 1 93 GLY H 1 116 LEU MD2 4.500 . 5.500 5.072 4.770 5.401 . 0 0 "[ . 1 . 2]" 5
213 1 94 ILE H 1 116 LEU MD2 4.500 . 5.500 4.744 3.788 5.435 . 0 0 "[ . 1 . 2]" 5
214 1 95 THR HA 1 116 LEU MD2 4.500 . 5.500 2.672 2.157 3.134 . 0 0 "[ . 1 . 2]" 5
215 1 95 THR HB 1 116 LEU MD2 4.500 . 5.500 3.287 1.951 4.834 . 0 0 "[ . 1 . 2]" 5
216 1 95 THR HB 1 116 LEU QD 5.500 . 6.500 2.244 1.807 2.864 . 0 0 "[ . 1 . 2]" 5
217 1 95 THR HB 1 116 LEU HG 4.000 . 5.000 4.831 4.314 5.080 0.080 3 0 "[ . 1 . 2]" 5
218 1 96 LEU HB3 1 107 VAL MG1 4.000 . 5.000 4.783 4.386 5.066 0.066 3 0 "[ . 1 . 2]" 5
219 1 96 LEU HB2 1 107 VAL MG1 4.500 . 5.500 5.578 5.452 5.681 0.181 1 0 "[ . 1 . 2]" 5
220 1 96 LEU MD2 1 111 GLU HG3 4.000 . 5.000 3.900 1.712 4.796 . 0 0 "[ . 1 . 2]" 5
221 1 96 LEU MD2 1 111 GLU HG2 4.000 . 5.000 4.550 3.006 5.037 0.037 12 0 "[ . 1 . 2]" 5
222 1 96 LEU MD1 1 112 ALA HA 4.000 . 5.000 4.027 3.556 4.551 . 0 0 "[ . 1 . 2]" 5
223 1 96 LEU MD2 1 112 ALA HA 4.500 . 5.500 3.919 3.412 4.682 . 0 0 "[ . 1 . 2]" 5
224 1 96 LEU MD2 1 115 PHE HB3 4.500 . 5.500 2.928 1.961 5.604 0.104 17 0 "[ . 1 . 2]" 5
225 1 96 LEU MD2 1 115 PHE HB2 4.500 . 5.500 3.322 2.510 5.191 . 0 0 "[ . 1 . 2]" 5
226 1 96 LEU MD2 1 115 PHE QD 4.500 . 5.500 2.648 1.833 4.739 . 0 0 "[ . 1 . 2]" 5
227 1 97 ILE MG 1 111 GLU HB3 4.000 . 5.000 5.095 4.867 5.295 0.295 5 0 "[ . 1 . 2]" 5
228 1 97 ILE MG 1 111 GLU HB2 4.500 . 5.500 5.514 5.148 5.733 0.233 3 0 "[ . 1 . 2]" 5
229 1 97 ILE MG 1 111 GLU HG2 4.000 . 5.000 4.089 3.572 4.610 . 0 0 "[ . 1 . 2]" 5
230 1 97 ILE H 1 112 ALA HA 4.000 . 5.000 4.882 4.256 5.078 0.078 10 0 "[ . 1 . 2]" 5
231 1 97 ILE HA 1 116 LEU QD 6.000 . 7.000 6.503 5.784 7.019 0.019 8 0 "[ . 1 . 2]" 5
232 1 98 THR HA 1 107 VAL HB 3.500 . 4.000 3.454 1.843 3.979 . 0 0 "[ . 1 . 2]" 5
233 1 98 THR HA 1 107 VAL MG1 4.500 . 5.500 2.288 1.781 2.756 0.019 8 0 "[ . 1 . 2]" 5
234 1 98 THR HA 1 107 VAL MG2 4.500 . 5.500 3.629 2.648 4.283 . 0 0 "[ . 1 . 2]" 5
235 1 98 THR HA 1 107 VAL QG 6.000 . 7.000 2.250 1.780 2.696 0.020 8 0 "[ . 1 . 2]" 5
236 1 98 THR MG 1 109 ALA HA 4.500 . 5.500 4.619 1.862 5.516 0.016 17 0 "[ . 1 . 2]" 5
237 1 99 LYS HB3 1 106 SER HA 4.000 . 5.000 3.649 1.922 5.042 0.042 8 0 "[ . 1 . 2]" 5
238 1 99 LYS HB2 1 106 SER HA 4.000 . 5.000 3.889 2.811 5.229 0.229 8 0 "[ . 1 . 2]" 5
239 1 99 LYS QE 1 106 SER HA 4.000 . 5.000 4.153 1.902 5.032 0.032 5 0 "[ . 1 . 2]" 5
240 1 99 LYS H 1 107 VAL HA 4.000 . 5.000 4.854 3.476 5.080 0.080 17 0 "[ . 1 . 2]" 5
241 1 101 GLU HA 1 107 VAL QG 6.000 . 7.000 6.600 6.161 7.123 0.123 5 0 "[ . 1 . 2]" 5
242 1 101 GLU HG3 1 107 VAL QG 6.000 . 7.000 6.196 4.964 7.016 0.016 17 0 "[ . 1 . 2]" 5
243 1 101 GLU HG2 1 107 VAL QG 6.000 . 7.000 6.756 6.096 7.023 0.023 2 0 "[ . 1 . 2]" 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 96
_Distance_constraint_stats_list.Viol_count 1918
_Distance_constraint_stats_list.Viol_total 72322.664
_Distance_constraint_stats_list.Viol_max 3.202
_Distance_constraint_stats_list.Viol_rms 0.3840
_Distance_constraint_stats_list.Viol_average_all_restraints 1.8834
_Distance_constraint_stats_list.Viol_average_violations_only 1.8854
_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 5 PRO 75.144 2.200 10 20 [*********+***-******]
1 6 ALA 81.739 2.551 9 20 [********+****-******]
1 7 GLU 71.038 2.417 14 20 [*-***********+******]
1 8 ASN 81.236 2.428 11 20 [*****-****+*********]
1 9 PHE 75.799 2.263 2 20 [*+**********-*******]
1 10 ARG 75.144 2.200 10 20 [*********+***-******]
1 11 VAL 81.739 2.551 9 20 [********+****-******]
1 12 LEU 71.038 2.417 14 20 [*-***********+******]
1 13 VAL 81.236 2.428 11 20 [*****-****+*********]
1 14 LYS 75.799 2.263 2 20 [*+**********-*******]
1 20 PHE 94.760 3.202 1 20 [+**********-********]
1 21 GLU 69.259 2.056 3 20 [**+************-****]
1 22 GLU 72.817 2.148 6 20 [*****+*******-******]
1 23 ALA 84.408 2.450 1 20 [+****-**************]
1 24 SER 73.773 2.074 16 20 [***************+*-**]
1 25 ASN 175.385 3.202 1 20 [+**********-********]
1 26 GLN 147.478 2.138 11 20 [**********+****-****]
1 27 LEU 156.016 2.295 16 20 [*************-*+****]
1 28 ILE 164.659 2.450 1 20 [+*-*****************]
1 29 ASN 154.832 2.244 17 20 [****************+-**]
1 30 HIS 164.309 2.290 15 20 [*****-********+*****]
1 31 ILE 78.219 2.138 11 20 [*****-****+*********]
1 32 GLU 83.199 2.295 16 20 [***************+**-*]
1 33 GLN 80.251 2.211 8 20 [**-****+************]
1 34 PHE 81.059 2.244 17 20 [***************-+***]
1 35 LEU 83.684 2.290 15 20 [**-***********+*****]
1 43 PHE 82.977 2.319 3 20 [**+****************-]
1 44 MET 89.501 2.581 4 20 [***+***********-****]
1 45 LYS 84.673 2.391 14 20 [*************+*****-]
1 46 SER 73.333 2.055 2 20 [*+********-*********]
1 47 ILE 74.612 2.259 11 20 [**********+*******-*]
1 48 ASP 172.122 2.510 19 20 [******************+-]
1 49 CYS 156.896 2.581 4 20 [***+*******-********]
1 50 ILE 153.787 2.391 14 20 [*******-*****+******]
1 51 ARG 152.463 2.434 20 20 [******-************+]
1 52 ALA 156.869 2.498 20 20 [******************-+]
1 53 PHE 147.511 2.510 19 20 [*-****************+*]
1 54 ARG 117.715 1.906 2 20 [*+******-***********]
1 55 GLU 139.917 2.100 4 20 [***+***-************]
1 56 GLU 79.130 2.434 20 20 [******-************+]
1 57 ALA 82.257 2.498 20 20 [************-******+]
1 58 ILE 58.366 1.835 5 20 [*-**+***************]
1 59 LYS 50.321 1.602 16 20 [********-******+****]
1 60 PHE 70.804 2.045 5 20 [****+*********-*****]
1 63 GLU 82.277 2.312 15 20 [*******-******+*****]
1 64 GLN 80.381 2.413 16 20 [**************-+****]
1 65 ARG 81.399 2.375 12 20 [*****-*****+********]
1 66 PHE 68.251 2.223 16 20 [**********-****+****]
1 67 ASN 83.400 2.434 11 20 [**********+****-****]
1 68 ASN 166.419 2.649 6 20 [*****+***-**********]
1 69 PHE 152.071 2.413 16 20 [**-************+****]
1 70 LEU 154.535 2.375 12 20 [**-********+********]
1 71 LYS 156.775 2.577 15 20 [**********-***+*****]
1 72 ALA 157.223 2.434 11 20 [**********+******-**]
1 73 LEU 146.048 2.649 6 20 [*****+*******-******]
1 74 GLN 153.029 2.466 9 20 [**-*****+***********]
1 75 GLU 73.136 2.199 6 20 [**-**+**************]
1 76 LYS 88.524 2.577 15 20 [**************+-****]
1 77 VAL 73.822 2.230 11 20 [**********+******-**]
1 78 GLU 61.906 2.004 7 20 [******+******-******]
1 79 ILE 81.339 2.466 9 20 [********+*********-*]
1 83 ASN 90.294 2.844 18 20 [*************-***+**]
1 84 HIS 71.908 2.208 11 20 [*-********+*********]
1 85 PHE 73.122 2.110 18 20 [*-***************+**]
1 86 TRP 63.549 1.975 6 20 [*****+*-************]
1 87 GLU 84.629 2.585 16 20 [***************+*-**]
1 88 ILE 90.294 2.844 18 20 [*************-***+**]
1 89 VAL 71.908 2.208 11 20 [*-********+*********]
1 90 VAL 73.122 2.110 18 20 [*-***************+**]
1 91 GLN 63.549 1.975 6 20 [*****+*-************]
1 92 ASP 84.629 2.585 16 20 [***************+*-**]
1 109 ALA 23.534 1.733 18 11 "[ ** . ***1* *-* +*2]"
1 110 GLU 40.198 1.887 8 20 [***-***+************]
1 114 LYS 23.534 1.733 18 11 "[ ** . ***1* *-* +*2]"
1 115 PHE 40.198 1.887 8 20 [***-***+************]
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 5 PRO O 1 10 ARG N 3.200 2.200 3.200 4.940 4.734 5.155 1.955 10 20 [*********+***-******] 6
2 1 5 PRO O 1 10 ARG H 2.200 . 2.200 4.217 4.006 4.400 2.200 10 20 [*****-***+**********] 6
3 1 6 ALA O 1 11 VAL N 3.200 2.200 3.200 5.090 4.893 5.393 2.193 9 20 [********+****-******] 6
4 1 6 ALA O 1 11 VAL H 2.200 . 2.200 4.397 4.182 4.751 2.551 9 20 [*-******+***********] 6
5 1 7 GLU O 1 12 LEU N 3.200 2.200 3.200 4.863 4.704 5.295 2.095 14 20 [*-***********+******] 6
6 1 7 GLU O 1 12 LEU H 2.200 . 2.200 4.089 3.924 4.617 2.417 14 20 [*************+****-*] 6
7 1 8 ASN O 1 13 VAL N 3.200 2.200 3.200 5.048 4.895 5.250 2.050 11 20 [*****-****+*********] 6
8 1 8 ASN O 1 13 VAL H 2.200 . 2.200 4.414 4.170 4.628 2.428 11 20 [********-*+*********] 6
9 1 9 PHE O 1 14 LYS N 3.200 2.200 3.200 4.914 4.750 5.089 1.889 2 20 [*+**********-*******] 6
10 1 9 PHE O 1 14 LYS H 2.200 . 2.200 4.276 4.063 4.463 2.263 2 20 [*+**********-*******] 6
11 1 20 PHE O 1 25 ASN N 3.200 2.200 3.200 5.431 4.692 6.200 3.000 1 20 [+**********-********] 6
12 1 20 PHE O 1 25 ASN H 2.200 . 2.200 4.708 3.985 5.402 3.202 1 20 [+*****************-*] 6
13 1 21 GLU O 1 26 GLN N 3.200 2.200 3.200 4.818 4.575 5.003 1.803 3 20 [**+************-****] 6
14 1 21 GLU O 1 26 GLN H 2.200 . 2.200 4.045 3.785 4.256 2.056 3 20 [**+************-****] 6
15 1 22 GLU O 1 27 LEU N 3.200 2.200 3.200 4.895 4.694 5.100 1.900 3 20 [**+**********-******] 6
16 1 22 GLU O 1 27 LEU H 2.200 . 2.200 4.146 3.956 4.348 2.148 6 20 [*****+*******-******] 6
17 1 23 ALA O 1 28 ILE N 3.200 2.200 3.200 5.147 5.007 5.285 2.085 15 20 [*****-********+*****] 6
18 1 23 ALA O 1 28 ILE H 2.200 . 2.200 4.473 4.281 4.650 2.450 1 20 [+****-**************] 6
19 1 24 SER O 1 29 ASN N 3.200 2.200 3.200 4.933 4.826 5.061 1.861 16 20 [***************+*-**] 6
20 1 24 SER O 1 29 ASN H 2.200 . 2.200 4.156 4.047 4.274 2.074 16 20 [***************+*-**] 6
21 1 25 ASN O 1 30 HIS N 3.200 2.200 3.200 5.071 4.995 5.171 1.971 1 20 [+****-**************] 6
22 1 25 ASN O 1 30 HIS H 2.200 . 2.200 4.360 4.258 4.472 2.272 14 20 [***-*********+******] 6
23 1 26 GLN O 1 31 ILE N 3.200 2.200 3.200 5.028 4.965 5.077 1.877 8 20 [*****-*+************] 6
24 1 26 GLN O 1 31 ILE H 2.200 . 2.200 4.283 4.202 4.338 2.138 11 20 [*****-****+*********] 6
25 1 27 LEU O 1 32 GLU N 3.200 2.200 3.200 5.148 5.089 5.230 2.030 16 20 [***************+**-*] 6
26 1 27 LEU O 1 32 GLU H 2.200 . 2.200 4.412 4.347 4.495 2.295 16 20 [***************+**-*] 6
27 1 28 ILE O 1 33 GLN N 3.200 2.200 3.200 5.071 4.873 5.137 1.937 8 20 [**-****+************] 6
28 1 28 ILE O 1 33 GLN H 2.200 . 2.200 4.342 4.136 4.411 2.211 8 20 [**-****+************] 6
29 1 29 ASN O 1 34 PHE N 3.200 2.200 3.200 5.089 4.982 5.172 1.972 17 20 [***************-+***] 6
30 1 29 ASN O 1 34 PHE H 2.200 . 2.200 4.364 4.270 4.444 2.244 17 20 [****-***********+***] 6
31 1 30 HIS O 1 35 LEU N 3.200 2.200 3.200 5.154 5.095 5.207 2.007 15 20 [**-***********+*****] 6
32 1 30 HIS O 1 35 LEU H 2.200 . 2.200 4.431 4.334 4.490 2.290 15 20 [**************+-****] 6
33 1 43 PHE O 1 48 ASP N 3.200 2.200 3.200 5.180 5.009 5.331 2.131 3 20 [**+****************-] 6
34 1 43 PHE O 1 48 ASP H 2.200 . 2.200 4.369 4.231 4.519 2.319 3 20 [**+****************-] 6
35 1 44 MET O 1 49 CYS N 3.200 2.200 3.200 5.268 5.084 5.454 2.254 4 20 [***+***********-****] 6
36 1 44 MET O 1 49 CYS H 2.200 . 2.200 4.607 4.429 4.781 2.581 4 20 [***+***********-****] 6
37 1 45 LYS O 1 50 ILE N 3.200 2.200 3.200 5.153 4.881 5.236 2.036 14 20 [*************+*****-] 6
38 1 45 LYS O 1 50 ILE H 2.200 . 2.200 4.480 4.212 4.591 2.391 14 20 [*************+*****-] 6
39 1 46 SER O 1 51 ARG N 3.200 2.200 3.200 4.915 4.805 5.016 1.816 14 20 [**********-**+******] 6
40 1 46 SER O 1 51 ARG H 2.200 . 2.200 4.151 4.030 4.255 2.055 2 20 [*+********-*********] 6
41 1 47 ILE O 1 52 ALA N 3.200 2.200 3.200 4.920 4.771 5.175 1.975 11 20 [**********+*******-*] 6
42 1 47 ILE O 1 52 ALA H 2.200 . 2.200 4.210 4.061 4.459 2.259 11 20 [**********+*******-*] 6
43 1 48 ASP O 1 53 PHE N 3.200 2.200 3.200 5.291 5.201 5.397 2.197 19 20 [**********-*******+*] 6
44 1 48 ASP O 1 53 PHE H 2.200 . 2.200 4.566 4.467 4.710 2.510 19 20 [**********-*******+*] 6
45 1 49 CYS O 1 54 ARG N 3.200 2.200 3.200 4.768 4.649 4.888 1.688 2 20 [*+*********-********] 6
46 1 49 CYS O 1 54 ARG H 2.200 . 2.200 4.002 3.896 4.106 1.906 2 20 [*+*********-********] 6
47 1 50 ILE O 1 55 GLU N 3.200 2.200 3.200 4.766 4.653 4.992 1.792 4 20 [***+***-************] 6
48 1 50 ILE O 1 55 GLU H 2.200 . 2.200 4.090 3.958 4.300 2.100 4 20 [***+***-************] 6
49 1 51 ARG O 1 56 GLU N 3.200 2.200 3.200 5.053 4.763 5.389 2.189 20 20 [******-************+] 6
50 1 51 ARG O 1 56 GLU H 2.200 . 2.200 4.303 4.011 4.634 2.434 20 20 [*****************-*+] 6
51 1 52 ALA O 1 57 ALA N 3.200 2.200 3.200 5.089 4.832 5.347 2.147 20 20 [************-******+] 6
52 1 52 ALA O 1 57 ALA H 2.200 . 2.200 4.424 4.156 4.698 2.498 20 20 [********-**********+] 6
53 1 53 PHE O 1 58 ILE N 3.200 2.200 3.200 4.546 4.138 4.789 1.589 5 20 [*-**+***************] 6
54 1 53 PHE O 1 58 ILE H 2.200 . 2.200 3.772 3.318 4.035 1.835 5 20 [*-**+***************] 6
55 1 54 ARG O 1 59 LYS N 3.200 2.200 3.200 4.348 3.877 4.582 1.382 16 20 [********-******+****] 6
56 1 54 ARG O 1 59 LYS H 2.200 . 2.200 3.568 3.095 3.802 1.602 16 20 [********-******+****] 6
57 1 55 GLU O 1 60 PHE N 3.200 2.200 3.200 4.813 4.712 4.908 1.708 5 20 [****+*********-*****] 6
58 1 55 GLU O 1 60 PHE H 2.200 . 2.200 4.127 4.001 4.245 2.045 5 20 [****+*********-*****] 6
59 1 63 GLU O 1 68 ASN N 3.200 2.200 3.200 5.167 5.026 5.280 2.080 10 20 [*******-*+**********] 6
60 1 63 GLU O 1 68 ASN H 2.200 . 2.200 4.347 4.200 4.512 2.312 15 20 [*******-******+*****] 6
61 1 64 GLN O 1 69 PHE N 3.200 2.200 3.200 5.036 4.819 5.268 2.068 16 20 [**************-+****] 6
62 1 64 GLN O 1 69 PHE H 2.200 . 2.200 4.383 4.157 4.613 2.413 16 20 [**************-+****] 6
63 1 65 ARG O 1 70 LEU N 3.200 2.200 3.200 5.114 4.634 5.333 2.133 12 20 [*****-*****+********] 6
64 1 65 ARG O 1 70 LEU H 2.200 . 2.200 4.356 3.804 4.575 2.375 12 20 [*****-*****+********] 6
65 1 66 PHE O 1 71 LYS N 3.200 2.200 3.200 4.744 4.575 5.017 1.817 16 20 [**********-****+****] 6
66 1 66 PHE O 1 71 LYS H 2.200 . 2.200 4.068 3.865 4.423 2.223 16 20 [**********-****+****] 6
67 1 67 ASN O 1 72 ALA N 3.200 2.200 3.200 5.132 4.889 5.288 2.088 11 20 [**********+****-****] 6
68 1 67 ASN O 1 72 ALA H 2.200 . 2.200 4.438 4.103 4.634 2.434 11 20 [**********+****-****] 6
69 1 68 ASN O 1 73 LEU N 3.200 2.200 3.200 5.209 4.966 5.633 2.433 6 20 [*****+***-**********] 6
70 1 68 ASN O 1 73 LEU H 2.200 . 2.200 4.398 4.132 4.849 2.649 6 20 [*****+***-**********] 6
71 1 69 PHE O 1 74 GLN N 3.200 2.200 3.200 4.834 4.625 5.119 1.919 10 20 [**-******+**********] 6
72 1 69 PHE O 1 74 GLN H 2.200 . 2.200 4.150 3.914 4.490 2.290 10 20 [**-******+**********] 6
73 1 70 LEU O 1 75 GLU N 3.200 2.200 3.200 4.898 4.608 5.124 1.924 13 20 [**-*********+*******] 6
74 1 70 LEU O 1 75 GLU H 2.200 . 2.200 4.159 3.844 4.399 2.199 6 20 [**-**+**************] 6
75 1 71 LYS O 1 76 LYS N 3.200 2.200 3.200 5.283 4.968 5.507 2.307 15 20 [**************+-****] 6
76 1 71 LYS O 1 76 LYS H 2.200 . 2.200 4.544 4.186 4.777 2.577 15 20 [**************+-****] 6
77 1 72 ALA O 1 77 VAL N 3.200 2.200 3.200 4.903 4.700 5.110 1.910 11 20 [**********+******-**] 6
78 1 72 ALA O 1 77 VAL H 2.200 . 2.200 4.188 3.943 4.430 2.230 11 20 [**********+******-**] 6
79 1 73 LEU O 1 78 GLU N 3.200 2.200 3.200 4.627 4.443 4.969 1.769 7 20 [******+******-******] 6
80 1 73 LEU O 1 78 GLU H 2.200 . 2.200 3.868 3.634 4.204 2.004 7 20 [******+******-******] 6
81 1 74 GLN O 1 79 ILE N 3.200 2.200 3.200 5.063 4.829 5.407 2.207 9 20 [********+*********-*] 6
82 1 74 GLN O 1 79 ILE H 2.200 . 2.200 4.404 4.128 4.666 2.466 9 20 [********+*********-*] 6
83 1 83 ASN O 1 88 ILE N 3.200 2.200 3.200 5.334 5.066 5.811 2.611 11 20 [**********+**-******] 6
84 1 83 ASN O 1 88 ILE H 2.200 . 2.200 4.580 4.277 5.044 2.844 18 20 [*************-***+**] 6
85 1 84 HIS O 1 89 VAL N 3.200 2.200 3.200 4.857 4.681 5.083 1.883 17 20 [*-**************+***] 6
86 1 84 HIS O 1 89 VAL H 2.200 . 2.200 4.138 3.931 4.408 2.208 11 20 [*-********+*********] 6
87 1 85 PHE O 1 90 VAL N 3.200 2.200 3.200 4.867 4.710 4.986 1.786 4 20 [*-*+****************] 6
88 1 85 PHE O 1 90 VAL H 2.200 . 2.200 4.189 4.021 4.310 2.110 18 20 [*-***************+**] 6
89 1 86 TRP O 1 91 GLN N 3.200 2.200 3.200 4.688 4.415 4.960 1.760 6 20 [*****+*-************] 6
90 1 86 TRP O 1 91 GLN H 2.200 . 2.200 3.890 3.603 4.175 1.975 6 20 [*****+*-************] 6
91 1 87 GLU O 1 92 ASP N 3.200 2.200 3.200 5.132 4.570 5.527 2.327 16 20 [***************+*-**] 6
92 1 87 GLU O 1 92 ASP H 2.200 . 2.200 4.499 3.849 4.785 2.585 16 20 [***************+*-**] 6
93 1 109 ALA O 1 114 LYS N 3.200 2.200 3.200 3.694 2.891 4.693 1.493 18 6 "[ ** . ** 1- . + 2]" 6
94 1 109 ALA O 1 114 LYS H 2.200 . 2.200 2.857 1.993 3.933 1.733 18 11 "[ ** . ***1* *-* +*2]" 6
95 1 110 GLU O 1 115 PHE N 3.200 2.200 3.200 4.007 3.559 4.742 1.542 8 16 "[***-***+ 1*** ** ***]" 6
96 1 110 GLU O 1 115 PHE H 2.200 . 2.200 3.403 2.883 4.087 1.887 8 20 [*******+*-**********] 6
stop_
save_
Contact the webmaster for help, if required. Saturday, May 18, 2024 5:03:09 PM GMT (wattos1)