NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
393192 |
1q6b   |
5824 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1q6b
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 190
_Distance_constraint_stats_list.Viol_count 387
_Distance_constraint_stats_list.Viol_total 687.381
_Distance_constraint_stats_list.Viol_max 0.188
_Distance_constraint_stats_list.Viol_rms 0.0240
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0058
_Distance_constraint_stats_list.Viol_average_violations_only 0.0710
_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 10 LYS 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 11 ARG 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 12 LYS 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 13 LEU 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 14 LEU 0.003 0.003 12 0 "[ . 1 . 2 .]"
1 15 ASP 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 16 GLU 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 17 LEU 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 18 ARG 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 19 SER 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 20 ILE 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 21 TYR 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 22 ARG 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 24 ILE 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 25 VAL 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 26 LEU 0.066 0.012 19 0 "[ . 1 . 2 .]"
1 27 GLU 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 28 TYR 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 29 PHE 2.252 0.118 12 0 "[ . 1 . 2 .]"
1 32 ASP 0.077 0.058 12 0 "[ . 1 . 2 .]"
1 33 ALA 0.095 0.058 12 0 "[ . 1 . 2 .]"
1 34 LYS 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 35 VAL 0.018 0.018 7 0 "[ . 1 . 2 .]"
1 37 GLU 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 38 ARG 1.848 0.117 20 0 "[ . 1 . 2 .]"
1 39 ILE 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 41 GLU 1.848 0.117 20 0 "[ . 1 . 2 .]"
1 42 PHE 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 43 VAL 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 44 SER 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 45 LYS 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 47 PHE 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 48 PHE 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 49 ALA 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 50 ASP 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 53 VAL 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 54 SER 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 55 GLN 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 57 LEU 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 58 GLU 1.842 0.087 7 0 "[ . 1 . 2 .]"
1 59 ILE 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 60 HIS 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 62 GLU 4.386 0.188 19 0 "[ . 1 . 2 .]"
1 63 LEU 4.386 0.188 19 0 "[ . 1 . 2 .]"
1 64 MET 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 65 ASP 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 66 THR 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 67 PHE 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 68 SER 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 69 LYS 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 73 LEU 0.023 0.023 5 0 "[ . 1 . 2 .]"
1 77 SER 0.488 0.168 17 0 "[ . 1 . 2 .]"
1 78 GLU 0.488 0.168 17 0 "[ . 1 . 2 .]"
1 79 ASP 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 80 ILE 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 81 LEU 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 82 LEU 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 83 ASP 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 86 LEU 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 87 THR 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 88 LEU 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 91 VAL 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 92 ILE 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 93 ALA 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 95 LEU 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 96 CYS 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 101 ARG 1.605 0.077 18 0 "[ . 1 . 2 .]"
1 102 SER 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 103 ILE 0.469 0.084 9 0 "[ . 1 . 2 .]"
1 104 PRO 0.674 0.115 22 0 "[ . 1 . 2 .]"
1 105 ARG 0.674 0.115 22 0 "[ . 1 . 2 .]"
2 10 LYS 0.000 0.000 . 0 "[ . 1 . 2 .]"
2 11 ARG 0.000 0.000 . 0 "[ . 1 . 2 .]"
2 12 LYS 0.000 0.000 . 0 "[ . 1 . 2 .]"
2 13 LEU 0.000 0.000 . 0 "[ . 1 . 2 .]"
2 14 LEU 0.003 0.003 12 0 "[ . 1 . 2 .]"
2 15 ASP 0.000 0.000 . 0 "[ . 1 . 2 .]"
2 16 GLU 0.000 0.000 . 0 "[ . 1 . 2 .]"
2 17 LEU 0.000 0.000 . 0 "[ . 1 . 2 .]"
2 18 ARG 0.000 0.000 . 0 "[ . 1 . 2 .]"
2 19 SER 0.000 0.000 . 0 "[ . 1 . 2 .]"
2 20 ILE 0.000 0.000 . 0 "[ . 1 . 2 .]"
2 21 TYR 0.000 0.000 . 0 "[ . 1 . 2 .]"
2 22 ARG 0.000 0.000 . 0 "[ . 1 . 2 .]"
2 24 ILE 0.000 0.000 . 0 "[ . 1 . 2 .]"
2 25 VAL 0.000 0.000 . 0 "[ . 1 . 2 .]"
2 26 LEU 0.059 0.012 19 0 "[ . 1 . 2 .]"
2 27 GLU 0.000 0.000 . 0 "[ . 1 . 2 .]"
2 28 TYR 0.000 0.000 . 0 "[ . 1 . 2 .]"
2 29 PHE 2.246 0.117 12 0 "[ . 1 . 2 .]"
2 32 ASP 0.075 0.056 12 0 "[ . 1 . 2 .]"
2 33 ALA 0.091 0.056 12 0 "[ . 1 . 2 .]"
2 34 LYS 0.000 0.000 . 0 "[ . 1 . 2 .]"
2 35 VAL 0.017 0.017 7 0 "[ . 1 . 2 .]"
2 37 GLU 0.000 0.000 . 0 "[ . 1 . 2 .]"
2 38 ARG 1.847 0.118 20 0 "[ . 1 . 2 .]"
2 39 ILE 0.000 0.000 . 0 "[ . 1 . 2 .]"
2 41 GLU 1.847 0.118 20 0 "[ . 1 . 2 .]"
2 42 PHE 0.000 0.000 . 0 "[ . 1 . 2 .]"
2 43 VAL 0.000 0.000 . 0 "[ . 1 . 2 .]"
2 44 SER 0.000 0.000 . 0 "[ . 1 . 2 .]"
2 45 LYS 0.000 0.000 . 0 "[ . 1 . 2 .]"
2 47 PHE 0.000 0.000 . 0 "[ . 1 . 2 .]"
2 48 PHE 0.000 0.000 . 0 "[ . 1 . 2 .]"
2 49 ALA 0.000 0.000 . 0 "[ . 1 . 2 .]"
2 50 ASP 0.000 0.000 . 0 "[ . 1 . 2 .]"
2 53 VAL 0.000 0.000 . 0 "[ . 1 . 2 .]"
2 54 SER 0.000 0.000 . 0 "[ . 1 . 2 .]"
2 55 GLN 0.000 0.000 . 0 "[ . 1 . 2 .]"
2 57 LEU 0.000 0.000 . 0 "[ . 1 . 2 .]"
2 58 GLU 1.845 0.087 10 0 "[ . 1 . 2 .]"
2 59 ILE 0.000 0.000 . 0 "[ . 1 . 2 .]"
2 60 HIS 0.000 0.000 . 0 "[ . 1 . 2 .]"
2 62 GLU 4.389 0.188 19 0 "[ . 1 . 2 .]"
2 63 LEU 4.389 0.188 19 0 "[ . 1 . 2 .]"
2 64 MET 0.000 0.000 . 0 "[ . 1 . 2 .]"
2 65 ASP 0.000 0.000 . 0 "[ . 1 . 2 .]"
2 66 THR 0.000 0.000 . 0 "[ . 1 . 2 .]"
2 67 PHE 0.000 0.000 . 0 "[ . 1 . 2 .]"
2 68 SER 0.000 0.000 . 0 "[ . 1 . 2 .]"
2 69 LYS 0.000 0.000 . 0 "[ . 1 . 2 .]"
2 73 LEU 0.023 0.023 5 0 "[ . 1 . 2 .]"
2 77 SER 0.485 0.168 17 0 "[ . 1 . 2 .]"
2 78 GLU 0.485 0.168 17 0 "[ . 1 . 2 .]"
2 79 ASP 0.000 0.000 . 0 "[ . 1 . 2 .]"
2 80 ILE 0.000 0.000 . 0 "[ . 1 . 2 .]"
2 81 LEU 0.000 0.000 . 0 "[ . 1 . 2 .]"
2 82 LEU 0.000 0.000 . 0 "[ . 1 . 2 .]"
2 83 ASP 0.000 0.000 . 0 "[ . 1 . 2 .]"
2 86 LEU 0.000 0.000 . 0 "[ . 1 . 2 .]"
2 87 THR 0.000 0.000 . 0 "[ . 1 . 2 .]"
2 88 LEU 0.000 0.000 . 0 "[ . 1 . 2 .]"
2 91 VAL 0.000 0.000 . 0 "[ . 1 . 2 .]"
2 92 ILE 0.000 0.000 . 0 "[ . 1 . 2 .]"
2 93 ALA 0.000 0.000 . 0 "[ . 1 . 2 .]"
2 95 LEU 0.000 0.000 . 0 "[ . 1 . 2 .]"
2 96 CYS 0.000 0.000 . 0 "[ . 1 . 2 .]"
2 101 ARG 1.605 0.076 18 0 "[ . 1 . 2 .]"
2 102 SER 0.000 0.000 . 0 "[ . 1 . 2 .]"
2 103 ILE 0.475 0.083 9 0 "[ . 1 . 2 .]"
2 104 PRO 0.677 0.114 22 0 "[ . 1 . 2 .]"
2 105 ARG 0.677 0.114 22 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 10 LYS HB3 1 11 ARG H 4.000 . 5.000 2.687 2.517 2.876 . 0 0 "[ . 1 . 2 .]" 1
2 1 11 ARG HA 1 15 ASP H 4.000 . 5.000 4.117 3.792 4.313 . 0 0 "[ . 1 . 2 .]" 1
3 1 12 LYS HA 1 15 ASP H 3.000 . 3.500 3.117 2.951 3.227 . 0 0 "[ . 1 . 2 .]" 1
4 1 13 LEU HA 1 16 GLU H 4.000 . 5.000 3.613 3.481 3.716 . 0 0 "[ . 1 . 2 .]" 1
5 1 14 LEU H 1 14 LEU MD1 3.000 . 4.000 3.903 3.867 4.003 0.003 12 0 "[ . 1 . 2 .]" 1
6 1 14 LEU HA 1 15 ASP H 4.000 . 5.000 3.526 3.509 3.554 . 0 0 "[ . 1 . 2 .]" 1
7 1 14 LEU MD2 1 15 ASP H 4.000 . 5.500 4.170 4.126 4.249 . 0 0 "[ . 1 . 2 .]" 1
8 1 14 LEU HB2 1 15 ASP H 3.000 . 3.500 2.695 2.542 2.738 . 0 0 "[ . 1 . 2 .]" 1
9 1 14 LEU HB3 1 15 ASP H 4.000 . 5.000 3.786 3.664 3.839 . 0 0 "[ . 1 . 2 .]" 1
10 1 14 LEU MD2 1 16 GLU H 4.000 . 5.500 5.019 4.900 5.096 . 0 0 "[ . 1 . 2 .]" 1
11 1 15 ASP HA 1 16 GLU H 4.000 . 5.000 3.534 3.508 3.548 . 0 0 "[ . 1 . 2 .]" 1
12 1 16 GLU HA 1 19 SER H 4.000 . 5.000 3.302 3.146 3.505 . 0 0 "[ . 1 . 2 .]" 1
13 1 17 LEU HA 1 18 ARG H 4.000 . 5.000 3.516 3.486 3.546 . 0 0 "[ . 1 . 2 .]" 1
14 1 20 ILE H 1 20 ILE MG 4.000 . 5.500 3.753 3.736 3.764 . 0 0 "[ . 1 . 2 .]" 1
15 1 20 ILE H 1 20 ILE HG13 4.000 . 5.000 2.136 2.007 2.207 . 0 0 "[ . 1 . 2 .]" 1
16 1 20 ILE H 1 20 ILE HB 4.000 . 5.000 2.496 2.452 2.559 . 0 0 "[ . 1 . 2 .]" 1
17 1 20 ILE MD 1 21 TYR H 4.000 . 5.500 4.238 4.089 4.349 . 0 0 "[ . 1 . 2 .]" 1
18 1 22 ARG HA 1 25 VAL H 4.000 . 5.000 3.660 3.442 3.816 . 0 0 "[ . 1 . 2 .]" 1
19 1 24 ILE H 1 24 ILE MD 4.000 . 5.500 2.818 2.580 3.160 . 0 0 "[ . 1 . 2 .]" 1
20 1 24 ILE MG 1 25 VAL H 4.000 . 5.500 3.394 3.332 3.506 . 0 0 "[ . 1 . 2 .]" 1
21 1 24 ILE MD 1 42 PHE H 4.000 . 5.500 4.392 4.120 4.538 . 0 0 "[ . 1 . 2 .]" 1
22 1 25 VAL HB 1 26 LEU H 4.000 . 5.000 2.687 2.613 2.784 . 0 0 "[ . 1 . 2 .]" 1
23 1 26 LEU H 1 26 LEU HB2 3.000 . 3.500 2.209 2.180 2.263 . 0 0 "[ . 1 . 2 .]" 1
24 1 26 LEU H 1 26 LEU MD1 3.000 . 4.000 3.567 3.409 3.748 . 0 0 "[ . 1 . 2 .]" 1
25 1 26 LEU H 1 26 LEU MD2 3.000 . 4.000 3.731 3.593 3.926 . 0 0 "[ . 1 . 2 .]" 1
26 1 26 LEU H 1 26 LEU HG 3.000 . 3.500 2.586 2.398 2.736 . 0 0 "[ . 1 . 2 .]" 1
27 1 26 LEU H 1 26 LEU HB3 3.000 . 3.500 3.501 3.488 3.512 0.012 19 0 "[ . 1 . 2 .]" 1
28 1 26 LEU HB3 1 27 GLU H 4.000 . 5.000 3.361 3.002 3.502 . 0 0 "[ . 1 . 2 .]" 1
29 1 26 LEU HB2 1 27 GLU H 4.000 . 5.000 2.611 2.316 2.715 . 0 0 "[ . 1 . 2 .]" 1
30 1 28 TYR H 1 87 THR MG 4.000 . 5.500 4.922 4.518 5.292 . 0 0 "[ . 1 . 2 .]" 1
31 1 29 PHE H 1 29 PHE HB3 3.000 . 3.500 3.590 3.549 3.618 0.118 12 0 "[ . 1 . 2 .]" 1
32 1 32 ASP HA 1 33 ALA H . . 3.500 3.201 2.425 3.558 0.058 12 0 "[ . 1 . 2 .]" 1
33 1 33 ALA MB 1 35 VAL H 3.000 . 4.000 3.317 2.679 4.018 0.018 7 0 "[ . 1 . 2 .]" 1
34 1 34 LYS HA 1 35 VAL H 3.000 . 3.500 2.496 2.324 2.775 . 0 0 "[ . 1 . 2 .]" 1
35 1 37 GLU QB 1 38 ARG H 3.000 . 4.000 2.607 2.560 2.737 . 0 0 "[ . 1 . 2 .]" 1
36 1 38 ARG H 1 38 ARG QG . . 2.900 2.524 2.231 2.866 . 0 0 "[ . 1 . 2 .]" 1
37 1 38 ARG HA 1 41 GLU H 3.000 . 3.500 3.574 3.508 3.617 0.117 20 0 "[ . 1 . 2 .]" 1
38 1 39 ILE H 1 39 ILE MG 4.000 . 5.500 3.733 3.713 3.749 . 0 0 "[ . 1 . 2 .]" 1
39 1 39 ILE H 1 39 ILE MD 4.000 . 5.500 3.486 3.376 3.606 . 0 0 "[ . 1 . 2 .]" 1
40 1 39 ILE HA 1 42 PHE H 4.000 . 5.000 3.396 3.223 3.624 . 0 0 "[ . 1 . 2 .]" 1
41 1 39 ILE HA 1 43 VAL H 4.000 . 5.000 3.738 3.536 4.056 . 0 0 "[ . 1 . 2 .]" 1
42 1 41 GLU H 1 41 GLU HG2 4.000 . 5.000 4.649 4.549 4.671 . 0 0 "[ . 1 . 2 .]" 1
43 1 41 GLU HA 1 44 SER H 4.000 . 5.000 3.415 3.154 3.771 . 0 0 "[ . 1 . 2 .]" 1
44 1 42 PHE H 1 43 VAL MG2 4.000 . 5.500 4.337 4.215 4.486 . 0 0 "[ . 1 . 2 .]" 1
45 1 44 SER HB2 1 45 LYS H 3.000 . 3.500 2.629 2.404 3.051 . 0 0 "[ . 1 . 2 .]" 1
46 1 47 PHE HA 1 50 ASP H 4.000 . 5.000 4.107 3.738 4.547 . 0 0 "[ . 1 . 2 .]" 1
47 1 48 PHE HA 1 49 ALA H 4.000 . 5.000 3.557 3.528 3.580 . 0 0 "[ . 1 . 2 .]" 1
48 1 49 ALA MB 1 50 ASP H 4.000 . 5.500 3.577 3.490 3.643 . 0 0 "[ . 1 . 2 .]" 1
49 1 49 ALA HA 1 50 ASP H 4.000 . 5.000 3.086 2.992 3.205 . 0 0 "[ . 1 . 2 .]" 1
50 1 53 VAL H 1 53 VAL HB 3.000 . 3.500 2.506 2.450 2.597 . 0 0 "[ . 1 . 2 .]" 1
51 1 54 SER HA 1 55 GLN H 4.000 . 5.000 3.547 3.529 3.574 . 0 0 "[ . 1 . 2 .]" 1
52 1 55 GLN H 1 55 GLN QG 3.000 . 4.000 2.136 1.993 2.280 . 0 0 "[ . 1 . 2 .]" 1
53 1 57 LEU H 1 57 LEU HG 3.000 . 3.500 2.060 1.920 2.130 . 0 0 "[ . 1 . 2 .]" 1
54 1 57 LEU MD1 1 58 GLU H 4.000 . 5.500 4.623 4.551 4.679 . 0 0 "[ . 1 . 2 .]" 1
55 1 58 GLU H 1 58 GLU HB3 3.000 . 3.500 3.574 3.540 3.587 0.087 7 0 "[ . 1 . 2 .]" 1
56 1 58 GLU H 1 58 GLU HG2 4.000 . 5.000 3.287 2.159 3.601 . 0 0 "[ . 1 . 2 .]" 1
57 1 59 ILE H 1 59 ILE MD 4.000 . 5.500 3.564 3.450 3.704 . 0 0 "[ . 1 . 2 .]" 1
58 1 59 ILE HA 1 60 HIS H 4.000 . 5.000 3.499 3.492 3.511 . 0 0 "[ . 1 . 2 .]" 1
59 1 62 GLU H 1 62 GLU HB3 3.000 . 3.500 2.557 2.510 2.606 . 0 0 "[ . 1 . 2 .]" 1
60 1 62 GLU H 1 62 GLU HG2 4.000 . 5.000 4.405 4.385 4.425 . 0 0 "[ . 1 . 2 .]" 1
61 1 62 GLU HA 1 63 LEU H 3.000 . 3.500 3.510 3.488 3.527 0.027 25 0 "[ . 1 . 2 .]" 1
62 1 62 GLU HB2 1 63 LEU H 3.000 . 3.500 3.665 3.630 3.688 0.188 19 0 "[ . 1 . 2 .]" 1
63 1 62 GLU HG2 1 63 LEU H 4.000 . 5.000 3.841 3.713 4.078 . 0 0 "[ . 1 . 2 .]" 1
64 1 63 LEU H 1 63 LEU MD1 4.000 . 5.500 3.922 3.657 4.046 . 0 0 "[ . 1 . 2 .]" 1
65 1 63 LEU QB 1 64 MET H 4.000 . 5.500 2.386 2.318 2.450 . 0 0 "[ . 1 . 2 .]" 1
66 1 63 LEU HA 1 66 THR H 3.000 . 3.500 3.200 3.084 3.373 . 0 0 "[ . 1 . 2 .]" 1
67 1 63 LEU HG 1 67 PHE H 4.000 . 5.000 3.960 3.736 4.257 . 0 0 "[ . 1 . 2 .]" 1
68 1 64 MET H 1 64 MET ME 4.000 . 5.500 2.777 2.357 3.132 . 0 0 "[ . 1 . 2 .]" 1
69 1 65 ASP HB3 1 66 THR H 3.000 . 3.500 2.401 2.199 2.498 . 0 0 "[ . 1 . 2 .]" 1
70 1 65 ASP HA 1 66 THR H 4.000 . 5.000 3.511 3.497 3.543 . 0 0 "[ . 1 . 2 .]" 1
71 1 68 SER QB 1 69 LYS H 4.000 . 5.500 2.455 2.254 3.247 . 0 0 "[ . 1 . 2 .]" 1
72 1 73 LEU H 1 73 LEU HG 3.000 . 3.500 2.053 1.777 2.429 0.023 5 0 "[ . 1 . 2 .]" 1
73 1 73 LEU H 1 73 LEU MD1 4.000 . 5.500 3.220 2.377 3.376 . 0 0 "[ . 1 . 2 .]" 1
74 1 77 SER HA 1 78 GLU H 4.000 . 5.000 2.599 2.155 3.431 . 0 0 "[ . 1 . 2 .]" 1
75 1 77 SER H 1 78 GLU HA 4.000 . 5.000 4.591 3.762 5.168 0.168 17 0 "[ . 1 . 2 .]" 1
76 1 79 ASP H 1 79 ASP HB3 4.000 . 5.000 3.610 3.583 3.878 . 0 0 "[ . 1 . 2 .]" 1
77 1 80 ILE HA 1 83 ASP H 4.000 . 5.000 3.398 3.001 3.711 . 0 0 "[ . 1 . 2 .]" 1
78 1 81 LEU QB 1 82 LEU H 4.000 . 5.500 2.600 2.507 2.732 . 0 0 "[ . 1 . 2 .]" 1
79 1 82 LEU H 1 82 LEU HG 4.000 . 5.000 4.067 3.876 4.490 . 0 0 "[ . 1 . 2 .]" 1
80 1 82 LEU H 1 82 LEU MD1 4.000 . 5.500 4.121 4.089 4.167 . 0 0 "[ . 1 . 2 .]" 1
81 1 86 LEU H 1 86 LEU HG . . 2.900 2.211 2.059 2.602 . 0 0 "[ . 1 . 2 .]" 1
82 1 87 THR HB 1 88 LEU H 4.000 . 5.000 2.498 2.388 2.631 . 0 0 "[ . 1 . 2 .]" 1
83 1 88 LEU H 1 88 LEU MD2 4.000 . 5.500 4.038 3.917 4.153 . 0 0 "[ . 1 . 2 .]" 1
84 1 91 VAL MG2 1 92 ILE H 4.000 . 5.500 3.916 3.801 3.985 . 0 0 "[ . 1 . 2 .]" 1
85 1 93 ALA MB 1 95 LEU H 4.000 . 5.500 4.818 4.592 4.974 . 0 0 "[ . 1 . 2 .]" 1
86 1 95 LEU HB2 1 96 CYS H 4.000 . 5.000 4.116 4.064 4.191 . 0 0 "[ . 1 . 2 .]" 1
87 1 101 ARG H 1 101 ARG HB3 3.000 . 3.500 3.564 3.551 3.577 0.077 18 0 "[ . 1 . 2 .]" 1
88 1 102 SER QB 1 103 ILE H 4.000 . 5.500 3.726 3.480 3.985 . 0 0 "[ . 1 . 2 .]" 1
89 1 102 SER HA 1 103 ILE H 4.000 . 5.000 3.090 2.891 3.219 . 0 0 "[ . 1 . 2 .]" 1
90 1 102 SER H 1 103 ILE MD 4.000 . 5.500 4.778 4.305 5.111 . 0 0 "[ . 1 . 2 .]" 1
91 1 103 ILE H 1 103 ILE MD 3.000 . 4.000 3.983 3.842 4.084 0.084 9 0 "[ . 1 . 2 .]" 1
92 1 103 ILE H 1 103 ILE HG13 4.000 . 5.000 3.027 2.261 3.844 . 0 0 "[ . 1 . 2 .]" 1
93 1 103 ILE H 1 104 PRO HD3 4.000 . 5.000 4.078 3.788 4.330 . 0 0 "[ . 1 . 2 .]" 1
94 1 104 PRO HA 1 105 ARG H 2.500 . 2.900 2.780 2.256 3.015 0.115 22 0 "[ . 1 . 2 .]" 1
95 1 105 ARG H 1 105 ARG QG 3.000 . 4.000 3.160 2.592 3.527 . 0 0 "[ . 1 . 2 .]" 1
96 2 10 LYS HB3 2 11 ARG H 4.000 . 5.000 2.687 2.519 2.876 . 0 0 "[ . 1 . 2 .]" 1
97 2 11 ARG HA 2 15 ASP H 4.000 . 5.000 4.117 3.792 4.313 . 0 0 "[ . 1 . 2 .]" 1
98 2 12 LYS HA 2 15 ASP H 3.000 . 3.500 3.117 2.951 3.226 . 0 0 "[ . 1 . 2 .]" 1
99 2 13 LEU HA 2 16 GLU H 4.000 . 5.000 3.613 3.481 3.715 . 0 0 "[ . 1 . 2 .]" 1
100 2 14 LEU H 2 14 LEU MD1 3.000 . 4.000 3.903 3.865 4.003 0.003 12 0 "[ . 1 . 2 .]" 1
101 2 14 LEU HA 2 15 ASP H 4.000 . 5.000 3.526 3.511 3.554 . 0 0 "[ . 1 . 2 .]" 1
102 2 14 LEU MD2 2 15 ASP H 4.000 . 5.500 4.170 4.126 4.250 . 0 0 "[ . 1 . 2 .]" 1
103 2 14 LEU HB2 2 15 ASP H 3.000 . 3.500 2.696 2.542 2.739 . 0 0 "[ . 1 . 2 .]" 1
104 2 14 LEU HB3 2 15 ASP H 4.000 . 5.000 3.786 3.664 3.837 . 0 0 "[ . 1 . 2 .]" 1
105 2 14 LEU MD2 2 16 GLU H 4.000 . 5.500 5.019 4.900 5.096 . 0 0 "[ . 1 . 2 .]" 1
106 2 15 ASP HA 2 16 GLU H 4.000 . 5.000 3.534 3.507 3.547 . 0 0 "[ . 1 . 2 .]" 1
107 2 16 GLU HA 2 19 SER H 4.000 . 5.000 3.301 3.145 3.503 . 0 0 "[ . 1 . 2 .]" 1
108 2 17 LEU HA 2 18 ARG H 4.000 . 5.000 3.516 3.485 3.547 . 0 0 "[ . 1 . 2 .]" 1
109 2 20 ILE H 2 20 ILE MG 4.000 . 5.500 3.753 3.735 3.764 . 0 0 "[ . 1 . 2 .]" 1
110 2 20 ILE H 2 20 ILE HG13 4.000 . 5.000 2.136 2.007 2.209 . 0 0 "[ . 1 . 2 .]" 1
111 2 20 ILE H 2 20 ILE HB 4.000 . 5.000 2.496 2.453 2.559 . 0 0 "[ . 1 . 2 .]" 1
112 2 20 ILE MD 2 21 TYR H 4.000 . 5.500 4.237 4.090 4.349 . 0 0 "[ . 1 . 2 .]" 1
113 2 22 ARG HA 2 25 VAL H 4.000 . 5.000 3.661 3.442 3.814 . 0 0 "[ . 1 . 2 .]" 1
114 2 24 ILE H 2 24 ILE MD 4.000 . 5.500 2.818 2.578 3.159 . 0 0 "[ . 1 . 2 .]" 1
115 2 24 ILE MG 2 25 VAL H 4.000 . 5.500 3.394 3.332 3.506 . 0 0 "[ . 1 . 2 .]" 1
116 2 24 ILE MD 2 42 PHE H 4.000 . 5.500 4.391 4.119 4.539 . 0 0 "[ . 1 . 2 .]" 1
117 2 25 VAL HB 2 26 LEU H 4.000 . 5.000 2.687 2.612 2.785 . 0 0 "[ . 1 . 2 .]" 1
118 2 26 LEU H 2 26 LEU HB2 3.000 . 3.500 2.209 2.180 2.263 . 0 0 "[ . 1 . 2 .]" 1
119 2 26 LEU H 2 26 LEU MD1 3.000 . 4.000 3.567 3.408 3.747 . 0 0 "[ . 1 . 2 .]" 1
120 2 26 LEU H 2 26 LEU MD2 3.000 . 4.000 3.731 3.593 3.927 . 0 0 "[ . 1 . 2 .]" 1
121 2 26 LEU H 2 26 LEU HG 3.000 . 3.500 2.586 2.397 2.737 . 0 0 "[ . 1 . 2 .]" 1
122 2 26 LEU H 2 26 LEU HB3 3.000 . 3.500 3.501 3.488 3.512 0.012 19 0 "[ . 1 . 2 .]" 1
123 2 26 LEU HB3 2 27 GLU H 4.000 . 5.000 3.361 3.001 3.502 . 0 0 "[ . 1 . 2 .]" 1
124 2 26 LEU HB2 2 27 GLU H 4.000 . 5.000 2.611 2.316 2.715 . 0 0 "[ . 1 . 2 .]" 1
125 2 28 TYR H 2 87 THR MG 4.000 . 5.500 4.922 4.519 5.293 . 0 0 "[ . 1 . 2 .]" 1
126 2 29 PHE H 2 29 PHE HB3 3.000 . 3.500 3.590 3.549 3.617 0.117 12 0 "[ . 1 . 2 .]" 1
127 2 32 ASP HA 2 33 ALA H . . 3.500 3.201 2.424 3.556 0.056 12 0 "[ . 1 . 2 .]" 1
128 2 33 ALA MB 2 35 VAL H 3.000 . 4.000 3.316 2.678 4.017 0.017 7 0 "[ . 1 . 2 .]" 1
129 2 34 LYS HA 2 35 VAL H 3.000 . 3.500 2.496 2.326 2.777 . 0 0 "[ . 1 . 2 .]" 1
130 2 37 GLU QB 2 38 ARG H 3.000 . 4.000 2.607 2.561 2.735 . 0 0 "[ . 1 . 2 .]" 1
131 2 38 ARG H 2 38 ARG QG . . 2.900 2.524 2.231 2.864 . 0 0 "[ . 1 . 2 .]" 1
132 2 38 ARG HA 2 41 GLU H 3.000 . 3.500 3.574 3.506 3.618 0.118 20 0 "[ . 1 . 2 .]" 1
133 2 39 ILE H 2 39 ILE MG 4.000 . 5.500 3.733 3.714 3.749 . 0 0 "[ . 1 . 2 .]" 1
134 2 39 ILE H 2 39 ILE MD 4.000 . 5.500 3.486 3.377 3.606 . 0 0 "[ . 1 . 2 .]" 1
135 2 39 ILE HA 2 42 PHE H 4.000 . 5.000 3.395 3.223 3.625 . 0 0 "[ . 1 . 2 .]" 1
136 2 39 ILE HA 2 43 VAL H 4.000 . 5.000 3.738 3.537 4.056 . 0 0 "[ . 1 . 2 .]" 1
137 2 41 GLU H 2 41 GLU HG2 4.000 . 5.000 4.649 4.551 4.672 . 0 0 "[ . 1 . 2 .]" 1
138 2 41 GLU HA 2 44 SER H 4.000 . 5.000 3.415 3.153 3.772 . 0 0 "[ . 1 . 2 .]" 1
139 2 42 PHE H 2 43 VAL MG2 4.000 . 5.500 4.337 4.216 4.484 . 0 0 "[ . 1 . 2 .]" 1
140 2 44 SER HB2 2 45 LYS H 3.000 . 3.500 2.629 2.404 3.050 . 0 0 "[ . 1 . 2 .]" 1
141 2 47 PHE HA 2 50 ASP H 4.000 . 5.000 4.107 3.737 4.545 . 0 0 "[ . 1 . 2 .]" 1
142 2 48 PHE HA 2 49 ALA H 4.000 . 5.000 3.557 3.528 3.580 . 0 0 "[ . 1 . 2 .]" 1
143 2 49 ALA MB 2 50 ASP H 4.000 . 5.500 3.577 3.490 3.642 . 0 0 "[ . 1 . 2 .]" 1
144 2 49 ALA HA 2 50 ASP H 4.000 . 5.000 3.086 2.992 3.205 . 0 0 "[ . 1 . 2 .]" 1
145 2 53 VAL H 2 53 VAL HB 3.000 . 3.500 2.506 2.449 2.598 . 0 0 "[ . 1 . 2 .]" 1
146 2 54 SER HA 2 55 GLN H 4.000 . 5.000 3.547 3.530 3.575 . 0 0 "[ . 1 . 2 .]" 1
147 2 55 GLN H 2 55 GLN QG 3.000 . 4.000 2.136 1.992 2.280 . 0 0 "[ . 1 . 2 .]" 1
148 2 57 LEU H 2 57 LEU HG 3.000 . 3.500 2.059 1.918 2.130 . 0 0 "[ . 1 . 2 .]" 1
149 2 57 LEU MD1 2 58 GLU H 4.000 . 5.500 4.623 4.547 4.678 . 0 0 "[ . 1 . 2 .]" 1
150 2 58 GLU H 2 58 GLU HB3 3.000 . 3.500 3.574 3.541 3.587 0.087 10 0 "[ . 1 . 2 .]" 1
151 2 58 GLU H 2 58 GLU HG2 4.000 . 5.000 3.287 2.159 3.602 . 0 0 "[ . 1 . 2 .]" 1
152 2 59 ILE H 2 59 ILE MD 4.000 . 5.500 3.564 3.451 3.703 . 0 0 "[ . 1 . 2 .]" 1
153 2 59 ILE HA 2 60 HIS H 4.000 . 5.000 3.500 3.492 3.510 . 0 0 "[ . 1 . 2 .]" 1
154 2 62 GLU H 2 62 GLU HB3 3.000 . 3.500 2.557 2.511 2.605 . 0 0 "[ . 1 . 2 .]" 1
155 2 62 GLU H 2 62 GLU HG2 4.000 . 5.000 4.405 4.386 4.424 . 0 0 "[ . 1 . 2 .]" 1
156 2 62 GLU HA 2 63 LEU H 3.000 . 3.500 3.510 3.487 3.527 0.027 25 0 "[ . 1 . 2 .]" 1
157 2 62 GLU HB2 2 63 LEU H 3.000 . 3.500 3.665 3.632 3.688 0.188 19 0 "[ . 1 . 2 .]" 1
158 2 62 GLU HG2 2 63 LEU H 4.000 . 5.000 3.841 3.712 4.077 . 0 0 "[ . 1 . 2 .]" 1
159 2 63 LEU H 2 63 LEU MD1 4.000 . 5.500 3.922 3.657 4.045 . 0 0 "[ . 1 . 2 .]" 1
160 2 63 LEU QB 2 64 MET H 4.000 . 5.500 2.386 2.315 2.448 . 0 0 "[ . 1 . 2 .]" 1
161 2 63 LEU HA 2 66 THR H 3.000 . 3.500 3.200 3.082 3.372 . 0 0 "[ . 1 . 2 .]" 1
162 2 63 LEU HG 2 67 PHE H 4.000 . 5.000 3.960 3.735 4.258 . 0 0 "[ . 1 . 2 .]" 1
163 2 64 MET H 2 64 MET ME 4.000 . 5.500 2.776 2.357 3.134 . 0 0 "[ . 1 . 2 .]" 1
164 2 65 ASP HB3 2 66 THR H 3.000 . 3.500 2.401 2.199 2.496 . 0 0 "[ . 1 . 2 .]" 1
165 2 65 ASP HA 2 66 THR H 4.000 . 5.000 3.511 3.495 3.543 . 0 0 "[ . 1 . 2 .]" 1
166 2 68 SER QB 2 69 LYS H 4.000 . 5.500 2.455 2.255 3.247 . 0 0 "[ . 1 . 2 .]" 1
167 2 73 LEU H 2 73 LEU HG 3.000 . 3.500 2.053 1.777 2.428 0.023 5 0 "[ . 1 . 2 .]" 1
168 2 73 LEU H 2 73 LEU MD1 4.000 . 5.500 3.220 2.378 3.377 . 0 0 "[ . 1 . 2 .]" 1
169 2 77 SER HA 2 78 GLU H 4.000 . 5.000 2.599 2.155 3.433 . 0 0 "[ . 1 . 2 .]" 1
170 2 77 SER H 2 78 GLU HA 4.000 . 5.000 4.591 3.761 5.168 0.168 17 0 "[ . 1 . 2 .]" 1
171 2 79 ASP H 2 79 ASP HB3 4.000 . 5.000 3.610 3.583 3.878 . 0 0 "[ . 1 . 2 .]" 1
172 2 80 ILE HA 2 83 ASP H 4.000 . 5.000 3.397 3.002 3.710 . 0 0 "[ . 1 . 2 .]" 1
173 2 81 LEU QB 2 82 LEU H 4.000 . 5.500 2.600 2.505 2.731 . 0 0 "[ . 1 . 2 .]" 1
174 2 82 LEU H 2 82 LEU HG 4.000 . 5.000 4.067 3.877 4.490 . 0 0 "[ . 1 . 2 .]" 1
175 2 82 LEU H 2 82 LEU MD1 4.000 . 5.500 4.121 4.089 4.168 . 0 0 "[ . 1 . 2 .]" 1
176 2 86 LEU H 2 86 LEU HG . . 2.900 2.211 2.060 2.604 . 0 0 "[ . 1 . 2 .]" 1
177 2 87 THR HB 2 88 LEU H 4.000 . 5.000 2.498 2.389 2.629 . 0 0 "[ . 1 . 2 .]" 1
178 2 88 LEU H 2 88 LEU MD2 4.000 . 5.500 4.038 3.916 4.153 . 0 0 "[ . 1 . 2 .]" 1
179 2 91 VAL MG2 2 92 ILE H 4.000 . 5.500 3.916 3.802 3.986 . 0 0 "[ . 1 . 2 .]" 1
180 2 93 ALA MB 2 95 LEU H 4.000 . 5.500 4.818 4.592 4.970 . 0 0 "[ . 1 . 2 .]" 1
181 2 95 LEU HB2 2 96 CYS H 4.000 . 5.000 4.103 4.049 4.180 . 0 0 "[ . 1 . 2 .]" 1
182 2 101 ARG H 2 101 ARG HB3 3.000 . 3.500 3.564 3.552 3.576 0.076 18 0 "[ . 1 . 2 .]" 1
183 2 102 SER QB 2 103 ILE H 4.000 . 5.500 3.726 3.480 3.984 . 0 0 "[ . 1 . 2 .]" 1
184 2 102 SER HA 2 103 ILE H 4.000 . 5.000 3.089 2.890 3.220 . 0 0 "[ . 1 . 2 .]" 1
185 2 102 SER H 2 103 ILE MD 4.000 . 5.500 4.778 4.307 5.110 . 0 0 "[ . 1 . 2 .]" 1
186 2 103 ILE H 2 103 ILE MD 3.000 . 4.000 3.984 3.844 4.083 0.083 9 0 "[ . 1 . 2 .]" 1
187 2 103 ILE H 2 103 ILE HG13 4.000 . 5.000 3.028 2.263 3.843 . 0 0 "[ . 1 . 2 .]" 1
188 2 103 ILE H 2 104 PRO HD3 4.000 . 5.000 4.078 3.791 4.330 . 0 0 "[ . 1 . 2 .]" 1
189 2 104 PRO HA 2 105 ARG H 2.500 . 2.900 2.780 2.253 3.014 0.114 22 0 "[ . 1 . 2 .]" 1
190 2 105 ARG H 2 105 ARG QG 3.000 . 4.000 3.159 2.591 3.527 . 0 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 77
_Distance_constraint_stats_list.Viol_count 112
_Distance_constraint_stats_list.Viol_total 204.545
_Distance_constraint_stats_list.Viol_max 0.263
_Distance_constraint_stats_list.Viol_rms 0.0207
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0043
_Distance_constraint_stats_list.Viol_average_violations_only 0.0731
_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 53 VAL 4.120 0.263 8 0 "[ . 1 . 2 .]"
1 57 LEU 0.550 0.168 23 0 "[ . 1 . 2 .]"
1 85 ARG 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 86 LEU 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 88 LEU 1.036 0.150 24 0 "[ . 1 . 2 .]"
1 89 ILE 4.249 0.263 8 0 "[ . 1 . 2 .]"
1 92 ILE 1.115 0.150 24 0 "[ . 1 . 2 .]"
1 93 ALA 1.172 0.117 7 0 "[ . 1 . 2 .]"
1 95 LEU 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 96 CYS 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 99 TYR 0.079 0.079 23 0 "[ . 1 . 2 .]"
1 100 ARG 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 102 SER 0.247 0.129 17 0 "[ . 1 . 2 .]"
1 103 ILE 0.327 0.129 17 0 "[ . 1 . 2 .]"
1 104 PRO 1.103 0.146 19 0 "[ . 1 . 2 .]"
1 105 ARG 0.215 0.091 20 0 "[ . 1 . 2 .]"
1 106 GLU 1.103 0.146 19 0 "[ . 1 . 2 .]"
1 107 VAL 0.215 0.091 20 0 "[ . 1 . 2 .]"
2 53 VAL 4.120 0.263 8 0 "[ . 1 . 2 .]"
2 57 LEU 0.550 0.168 23 0 "[ . 1 . 2 .]"
2 85 ARG 0.000 0.000 . 0 "[ . 1 . 2 .]"
2 86 LEU 0.000 0.000 . 0 "[ . 1 . 2 .]"
2 88 LEU 0.831 0.088 24 0 "[ . 1 . 2 .]"
2 89 ILE 4.454 0.263 8 0 "[ . 1 . 2 .]"
2 92 ILE 0.911 0.088 24 0 "[ . 1 . 2 .]"
2 93 ALA 1.172 0.117 7 0 "[ . 1 . 2 .]"
2 95 LEU 0.000 0.000 . 0 "[ . 1 . 2 .]"
2 96 CYS 0.000 0.000 . 0 "[ . 1 . 2 .]"
2 99 TYR 0.079 0.079 23 0 "[ . 1 . 2 .]"
2 100 ARG 0.000 0.000 . 0 "[ . 1 . 2 .]"
2 102 SER 0.247 0.129 17 0 "[ . 1 . 2 .]"
2 103 ILE 0.327 0.129 17 0 "[ . 1 . 2 .]"
2 104 PRO 1.103 0.146 19 0 "[ . 1 . 2 .]"
2 105 ARG 0.215 0.091 20 0 "[ . 1 . 2 .]"
2 106 GLU 1.103 0.146 19 0 "[ . 1 . 2 .]"
2 107 VAL 0.215 0.091 20 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 53 VAL MG1 1 89 ILE MG 4.000 . 6.000 2.924 2.617 3.051 . 0 0 "[ . 1 . 2 .]" 2
2 1 53 VAL MG1 1 89 ILE MD 3.000 . 4.300 4.415 4.331 4.563 0.263 8 0 "[ . 1 . 2 .]" 2
3 1 53 VAL HB 1 92 ILE MG 4.000 . 5.500 4.343 3.627 4.509 . 0 0 "[ . 1 . 2 .]" 2
4 1 53 VAL MG2 1 92 ILE MG 2.500 . 3.700 3.221 2.010 3.354 . 0 0 "[ . 1 . 2 .]" 2
5 1 53 VAL MG1 1 92 ILE MD 3.000 . 4.300 2.219 1.897 2.499 . 0 0 "[ . 1 . 2 .]" 2
6 1 53 VAL MG1 1 92 ILE MG 2.500 . 3.700 2.032 1.739 2.218 0.061 8 0 "[ . 1 . 2 .]" 2
7 1 53 VAL MG2 1 93 ALA HA 3.000 . 3.800 2.436 2.034 2.751 . 0 0 "[ . 1 . 2 .]" 2
8 1 53 VAL MG1 1 93 ALA MB 2.500 . 3.700 1.765 1.683 2.011 0.117 7 0 "[ . 1 . 2 .]" 2
9 1 53 VAL MG1 1 93 ALA HA 2.500 . 3.200 2.482 2.202 2.767 . 0 0 "[ . 1 . 2 .]" 2
10 1 53 VAL HB 1 93 ALA HA 4.000 . 5.000 3.675 3.324 4.073 . 0 0 "[ . 1 . 2 .]" 2
11 1 53 VAL HA 1 95 LEU MD2 4.000 . 5.500 3.462 3.133 3.831 . 0 0 "[ . 1 . 2 .]" 2
12 1 53 VAL MG2 1 96 CYS HB3 3.000 . 3.800 2.706 2.167 3.110 . 0 0 "[ . 1 . 2 .]" 2
13 1 53 VAL MG2 1 96 CYS HA 4.000 . 5.500 4.086 3.878 4.278 . 0 0 "[ . 1 . 2 .]" 2
14 1 57 LEU MD2 1 89 ILE HA 4.000 . 5.500 3.899 3.751 4.013 . 0 0 "[ . 1 . 2 .]" 2
15 1 57 LEU MD2 1 89 ILE MG 2.500 . 3.700 1.872 1.632 2.092 0.168 23 0 "[ . 1 . 2 .]" 2
16 1 57 LEU MD2 1 92 ILE MG 4.000 . 6.000 2.259 2.054 3.524 . 0 0 "[ . 1 . 2 .]" 2
17 1 57 LEU MD2 1 92 ILE MD 2.500 . 3.700 2.142 1.787 2.355 0.013 23 0 "[ . 1 . 2 .]" 2
18 1 57 LEU MD1 1 93 ALA MB 2.500 . 3.700 2.795 2.676 2.871 . 0 0 "[ . 1 . 2 .]" 2
19 1 85 ARG HA 1 89 ILE MD . . 3.800 3.400 3.235 3.467 . 0 0 "[ . 1 . 2 .]" 2
20 1 86 LEU HA 1 89 ILE MD 3.000 . 3.800 3.188 2.250 3.554 . 0 0 "[ . 1 . 2 .]" 2
21 1 88 LEU MD1 1 92 ILE MD 2.500 . 3.700 1.874 1.739 1.999 0.061 16 0 "[ . 1 . 2 .]" 2
22 1 89 ILE MD 2 88 LEU MD1 2.500 . 3.700 1.864 1.735 1.977 0.065 5 0 "[ . 1 . 2 .]" 2
23 1 88 LEU MD1 1 89 ILE HB 4.000 . 6.500 3.664 3.376 3.965 . 0 0 "[ . 1 . 2 .]" 2
24 1 88 LEU MD1 1 89 ILE MG 3.000 . 4.300 2.307 1.941 2.785 . 0 0 "[ . 1 . 2 .]" 2
25 1 88 LEU HB3 1 89 ILE MD 4.000 . 5.500 2.535 2.108 3.145 . 0 0 "[ . 1 . 2 .]" 2
26 1 88 LEU HG 1 92 ILE MD 3.000 . 3.800 3.693 3.270 3.950 0.150 24 0 "[ . 1 . 2 .]" 2
27 1 89 ILE MD 2 88 LEU HG 3.000 . 3.800 3.689 3.321 3.888 0.088 24 0 "[ . 1 . 2 .]" 2
28 1 88 LEU MD2 1 92 ILE MD 3.000 . 4.300 2.674 1.848 3.609 . 0 0 "[ . 1 . 2 .]" 2
29 1 89 ILE MD 2 88 LEU MD2 3.000 . 4.300 2.667 1.849 3.622 . 0 0 "[ . 1 . 2 .]" 2
30 1 89 ILE HA 1 89 ILE HG13 3.000 . 3.300 2.940 2.407 3.293 . 0 0 "[ . 1 . 2 .]" 2
31 1 89 ILE HA 1 89 ILE HG12 3.000 . 3.300 2.077 1.961 2.270 . 0 0 "[ . 1 . 2 .]" 2
32 1 89 ILE HA 1 89 ILE MG 3.000 . 3.800 2.098 2.013 2.161 . 0 0 "[ . 1 . 2 .]" 2
33 1 89 ILE HA 1 92 ILE HG12 4.000 . 5.000 2.256 1.943 4.283 . 0 0 "[ . 1 . 2 .]" 2
34 1 89 ILE HA 1 92 ILE MG 4.000 . 5.500 3.456 3.216 4.005 . 0 0 "[ . 1 . 2 .]" 2
35 1 89 ILE HA 1 92 ILE HB 4.000 . 5.000 4.307 2.684 4.724 . 0 0 "[ . 1 . 2 .]" 2
36 1 89 ILE HA 1 93 ALA MB 4.000 . 6.500 3.705 3.416 3.984 . 0 0 "[ . 1 . 2 .]" 2
37 1 89 ILE MG 1 93 ALA MB 3.000 . 4.300 2.566 2.203 2.889 . 0 0 "[ . 1 . 2 .]" 2
38 1 92 ILE MG 1 93 ALA HA 4.000 . 5.500 4.166 2.759 4.342 . 0 0 "[ . 1 . 2 .]" 2
39 1 92 ILE MG 1 93 ALA MB 3.000 . 4.300 3.572 3.020 3.668 . 0 0 "[ . 1 . 2 .]" 2
40 1 92 ILE MD 1 93 ALA MB 3.000 . 4.300 2.572 2.283 3.023 . 0 0 "[ . 1 . 2 .]" 2
41 1 92 ILE MD 1 93 ALA HA 4.000 . 5.500 3.243 2.845 3.795 . 0 0 "[ . 1 . 2 .]" 2
42 1 92 ILE MG 1 96 CYS HB3 4.000 . 5.500 5.047 3.048 5.320 . 0 0 "[ . 1 . 2 .]" 2
43 1 93 ALA HA 1 96 CYS HB2 4.000 . 5.000 2.350 2.129 2.538 . 0 0 "[ . 1 . 2 .]" 2
44 1 93 ALA HA 1 96 CYS HB3 4.000 . 5.000 2.455 2.216 2.825 . 0 0 "[ . 1 . 2 .]" 2
45 1 96 CYS HA 1 99 TYR QD 3.000 . 3.300 1.990 1.866 2.512 . 0 0 "[ . 1 . 2 .]" 2
46 1 96 CYS HA 1 99 TYR QE 4.000 . 5.000 3.148 2.724 3.556 . 0 0 "[ . 1 . 2 .]" 2
47 1 96 CYS HB2 1 99 TYR QE 4.000 . 5.000 4.136 3.662 4.789 . 0 0 "[ . 1 . 2 .]" 2
48 1 99 TYR QD 1 100 ARG HA 4.000 . 5.000 3.462 2.875 3.827 . 0 0 "[ . 1 . 2 .]" 2
49 1 99 TYR QD 1 103 ILE MD 3.000 . 3.800 2.563 1.721 2.922 0.079 23 0 "[ . 1 . 2 .]" 2
50 1 99 TYR QD 1 103 ILE HG13 4.000 . 5.000 3.705 2.534 4.552 . 0 0 "[ . 1 . 2 .]" 2
51 1 99 TYR HA 1 103 ILE MD 3.000 . 3.800 2.489 2.119 2.899 . 0 0 "[ . 1 . 2 .]" 2
52 1 99 TYR HB3 1 103 ILE MD 4.000 . 5.500 2.418 1.910 2.928 . 0 0 "[ . 1 . 2 .]" 2
53 1 99 TYR HB2 1 103 ILE MD 4.000 . 5.500 3.527 3.084 4.029 . 0 0 "[ . 1 . 2 .]" 2
54 1 100 ARG HA 1 103 ILE HG13 4.000 . 6.000 1.943 1.871 2.075 . 0 0 "[ . 1 . 2 .]" 2
55 1 100 ARG HA 1 103 ILE MD 3.000 . 3.800 2.660 1.893 3.289 . 0 0 "[ . 1 . 2 .]" 2
56 1 102 SER QB 1 103 ILE HG12 4.000 . 5.500 3.133 2.837 3.632 . 0 0 "[ . 1 . 2 .]" 2
57 1 102 SER QB 1 103 ILE MD 3.000 . 4.300 2.005 1.671 2.780 0.129 17 0 "[ . 1 . 2 .]" 2
58 1 102 SER QB 1 103 ILE MG 3.000 . 4.300 2.654 1.888 3.188 . 0 0 "[ . 1 . 2 .]" 2
59 1 102 SER HA 1 103 ILE MD 4.000 . 5.500 3.764 3.395 4.316 . 0 0 "[ . 1 . 2 .]" 2
60 1 103 ILE HA 1 103 ILE MD 3.000 . 3.800 2.465 1.826 3.063 . 0 0 "[ . 1 . 2 .]" 2
61 1 103 ILE HA 1 103 ILE MG 3.000 . 3.800 2.026 1.869 2.156 . 0 0 "[ . 1 . 2 .]" 2
62 1 103 ILE HA 1 104 PRO HD3 2.500 . 2.700 1.995 1.910 2.061 . 0 0 "[ . 1 . 2 .]" 2
63 1 103 ILE MG 1 104 PRO HD3 3.000 . 3.800 3.061 2.557 3.370 . 0 0 "[ . 1 . 2 .]" 2
64 1 103 ILE HA 1 104 PRO HD2 3.000 . 3.300 1.989 1.934 2.166 . 0 0 "[ . 1 . 2 .]" 2
65 1 103 ILE MG 1 104 PRO HD2 3.000 . 3.800 2.541 2.321 2.783 . 0 0 "[ . 1 . 2 .]" 2
66 1 103 ILE MD 1 104 PRO HD2 4.000 . 5.500 3.485 2.587 4.322 . 0 0 "[ . 1 . 2 .]" 2
67 1 103 ILE HB 1 104 PRO HD2 4.000 . 5.000 4.140 3.922 4.426 . 0 0 "[ . 1 . 2 .]" 2
68 1 103 ILE MG 1 104 PRO HG3 4.000 . 5.500 4.060 3.793 4.575 . 0 0 "[ . 1 . 2 .]" 2
69 1 103 ILE HA 1 104 PRO HG3 4.000 . 5.000 3.777 3.707 3.889 . 0 0 "[ . 1 . 2 .]" 2
70 1 103 ILE MG 1 104 PRO HG2 4.000 . 5.500 3.873 3.477 4.394 . 0 0 "[ . 1 . 2 .]" 2
71 1 103 ILE MG 1 104 PRO HA 4.000 . 5.500 3.825 3.625 3.980 . 0 0 "[ . 1 . 2 .]" 2
72 1 103 ILE HA 1 104 PRO HG2 4.000 . 5.000 3.783 3.703 3.938 . 0 0 "[ . 1 . 2 .]" 2
73 1 103 ILE HB 1 104 PRO HD3 4.000 . 5.000 4.245 4.082 4.325 . 0 0 "[ . 1 . 2 .]" 2
74 1 103 ILE MD 1 104 PRO HD3 4.000 . 5.500 3.583 2.821 4.315 . 0 0 "[ . 1 . 2 .]" 2
75 1 104 PRO HB3 1 106 GLU QG 2.500 . 3.200 3.191 2.817 3.346 0.146 19 0 "[ . 1 . 2 .]" 2
76 1 105 ARG QD 1 107 VAL MG1 4.000 . 6.000 5.323 3.911 6.091 0.091 20 0 "[ . 1 . 2 .]" 2
77 1 105 ARG QG 1 107 VAL MG1 4.000 . 7.000 4.181 2.776 5.599 . 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 1718
_Distance_constraint_stats_list.Viol_count 4154
_Distance_constraint_stats_list.Viol_total 9164.935
_Distance_constraint_stats_list.Viol_max 0.300
_Distance_constraint_stats_list.Viol_rms 0.0346
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0085
_Distance_constraint_stats_list.Viol_average_violations_only 0.0883
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 2 MET 0.193 0.193 22 0 "[ . 1 . 2 .]"
1 4 ARG 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 5 MET 0.804 0.076 10 0 "[ . 1 . 2 .]"
1 6 SER 4.394 0.198 13 0 "[ . 1 . 2 .]"
1 7 PRO 5.568 0.198 13 0 "[ . 1 . 2 .]"
1 8 ALA 0.011 0.011 3 0 "[ . 1 . 2 .]"
1 9 ASP 0.902 0.076 10 0 "[ . 1 . 2 .]"
1 10 LYS 9.162 0.300 11 0 "[ . 1 . 2 .]"
1 11 ARG 2.703 0.159 15 0 "[ . 1 . 2 .]"
1 12 LYS 2.189 0.148 12 0 "[ . 1 . 2 .]"
1 13 LEU 9.524 0.300 11 0 "[ . 1 . 2 .]"
1 14 LEU 28.114 0.288 18 0 "[ . 1 . 2 .]"
1 15 ASP 1.123 0.118 5 0 "[ . 1 . 2 .]"
1 16 GLU 0.597 0.073 13 0 "[ . 1 . 2 .]"
1 17 LEU 7.739 0.286 18 0 "[ . 1 . 2 .]"
1 18 ARG 1.441 0.118 5 0 "[ . 1 . 2 .]"
1 19 SER 1.363 0.117 11 0 "[ . 1 . 2 .]"
1 20 ILE 4.847 0.167 23 0 "[ . 1 . 2 .]"
1 21 TYR 1.055 0.088 8 0 "[ . 1 . 2 .]"
1 22 ARG 1.666 0.117 11 0 "[ . 1 . 2 .]"
1 23 THR 6.620 0.254 19 0 "[ . 1 . 2 .]"
1 24 ILE 0.187 0.045 4 0 "[ . 1 . 2 .]"
1 25 VAL 1.038 0.113 19 0 "[ . 1 . 2 .]"
1 26 LEU 5.554 0.254 19 0 "[ . 1 . 2 .]"
1 27 GLU 5.486 0.296 14 0 "[ . 1 . 2 .]"
1 28 TYR 2.779 0.118 25 0 "[ . 1 . 2 .]"
1 29 PHE 0.694 0.070 8 0 "[ . 1 . 2 .]"
1 30 ASN 2.947 0.210 20 0 "[ . 1 . 2 .]"
1 31 THR 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 32 ASP 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 33 ALA 1.861 0.115 18 0 "[ . 1 . 2 .]"
1 34 LYS 2.321 0.232 21 0 "[ . 1 . 2 .]"
1 35 VAL 11.688 0.276 7 0 "[ . 1 . 2 .]"
1 36 ASN 3.521 0.135 4 0 "[ . 1 . 2 .]"
1 37 GLU 0.460 0.073 24 0 "[ . 1 . 2 .]"
1 38 ARG 13.178 0.297 24 0 "[ . 1 . 2 .]"
1 39 ILE 1.871 0.107 24 0 "[ . 1 . 2 .]"
1 40 ASP 0.256 0.049 3 0 "[ . 1 . 2 .]"
1 41 GLU 1.859 0.089 24 0 "[ . 1 . 2 .]"
1 42 PHE 0.050 0.030 20 0 "[ . 1 . 2 .]"
1 43 VAL 0.055 0.022 13 0 "[ . 1 . 2 .]"
1 44 SER 7.554 0.197 16 0 "[ . 1 . 2 .]"
1 45 LYS 9.383 0.288 18 0 "[ . 1 . 2 .]"
1 46 ALA 1.844 0.137 1 0 "[ . 1 . 2 .]"
1 47 PHE 0.998 0.134 12 0 "[ . 1 . 2 .]"
1 48 PHE 4.856 0.189 3 0 "[ . 1 . 2 .]"
1 49 ALA 4.676 0.252 13 0 "[ . 1 . 2 .]"
1 50 ASP 0.030 0.030 2 0 "[ . 1 . 2 .]"
1 51 ILE 12.987 0.294 16 0 "[ . 1 . 2 .]"
1 52 SER 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 53 VAL 1.201 0.088 17 0 "[ . 1 . 2 .]"
1 54 SER 0.806 0.078 23 0 "[ . 1 . 2 .]"
1 55 GLN 1.520 0.112 3 0 "[ . 1 . 2 .]"
1 56 VAL 2.654 0.162 8 0 "[ . 1 . 2 .]"
1 57 LEU 1.614 0.079 4 0 "[ . 1 . 2 .]"
1 58 GLU 4.021 0.286 15 0 "[ . 1 . 2 .]"
1 59 ILE 2.488 0.088 8 0 "[ . 1 . 2 .]"
1 60 HIS 1.098 0.129 13 0 "[ . 1 . 2 .]"
1 61 VAL 7.466 0.200 24 0 "[ . 1 . 2 .]"
1 62 GLU 9.459 0.200 24 0 "[ . 1 . 2 .]"
1 63 LEU 3.347 0.159 12 0 "[ . 1 . 2 .]"
1 64 MET 0.201 0.058 13 0 "[ . 1 . 2 .]"
1 65 ASP 0.973 0.097 23 0 "[ . 1 . 2 .]"
1 66 THR 3.272 0.159 12 0 "[ . 1 . 2 .]"
1 67 PHE 0.022 0.019 23 0 "[ . 1 . 2 .]"
1 68 SER 0.347 0.099 24 0 "[ . 1 . 2 .]"
1 69 LYS 0.121 0.059 12 0 "[ . 1 . 2 .]"
1 70 GLN 1.082 0.234 20 0 "[ . 1 . 2 .]"
1 71 LEU 8.600 0.186 5 0 "[ . 1 . 2 .]"
1 72 LYS 2.634 0.194 15 0 "[ . 1 . 2 .]"
1 73 LEU 4.311 0.171 16 0 "[ . 1 . 2 .]"
1 74 GLU 13.731 0.272 5 0 "[ . 1 . 2 .]"
1 76 ARG 2.804 0.216 17 0 "[ . 1 . 2 .]"
1 77 SER 0.412 0.120 20 0 "[ . 1 . 2 .]"
1 78 GLU 4.128 0.186 5 0 "[ . 1 . 2 .]"
1 79 ASP 5.240 0.245 23 0 "[ . 1 . 2 .]"
1 80 ILE 3.465 0.167 16 0 "[ . 1 . 2 .]"
1 81 LEU 2.650 0.122 23 0 "[ . 1 . 2 .]"
1 82 LEU 5.240 0.245 23 0 "[ . 1 . 2 .]"
1 83 ASP 0.767 0.167 16 0 "[ . 1 . 2 .]"
1 84 TYR 1.350 0.113 19 0 "[ . 1 . 2 .]"
1 85 ARG 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 86 LEU 1.937 0.084 23 0 "[ . 1 . 2 .]"
1 87 THR 0.259 0.053 17 0 "[ . 1 . 2 .]"
1 88 LEU 1.004 0.129 13 0 "[ . 1 . 2 .]"
1 89 ILE 0.058 0.019 4 0 "[ . 1 . 2 .]"
1 90 ASP 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 91 VAL 0.331 0.043 12 0 "[ . 1 . 2 .]"
1 92 ILE 3.153 0.211 1 0 "[ . 1 . 2 .]"
1 93 ALA 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 94 HIS 0.017 0.017 24 0 "[ . 1 . 2 .]"
1 95 LEU 7.050 0.284 11 0 "[ . 1 . 2 .]"
1 96 CYS 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 97 GLU 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 98 MET 9.858 0.218 12 0 "[ . 1 . 2 .]"
1 99 TYR 0.276 0.068 8 0 "[ . 1 . 2 .]"
1 100 ARG 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 101 ARG 0.819 0.081 3 0 "[ . 1 . 2 .]"
1 102 SER 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 103 ILE 0.091 0.049 23 0 "[ . 1 . 2 .]"
1 104 PRO 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 105 ARG 1.385 0.201 13 0 "[ . 1 . 2 .]"
1 106 GLU 0.996 0.201 13 0 "[ . 1 . 2 .]"
1 107 VAL 0.000 0.000 . 0 "[ . 1 . 2 .]"
2 2 MET 0.195 0.195 22 0 "[ . 1 . 2 .]"
2 4 ARG 0.000 0.000 . 0 "[ . 1 . 2 .]"
2 5 MET 0.809 0.076 10 0 "[ . 1 . 2 .]"
2 6 SER 4.384 0.197 13 0 "[ . 1 . 2 .]"
2 7 PRO 5.550 0.197 13 0 "[ . 1 . 2 .]"
2 8 ALA 0.011 0.011 3 0 "[ . 1 . 2 .]"
2 9 ASP 0.905 0.076 10 0 "[ . 1 . 2 .]"
2 10 LYS 9.162 0.299 11 0 "[ . 1 . 2 .]"
2 11 ARG 2.701 0.159 15 0 "[ . 1 . 2 .]"
2 12 LYS 2.182 0.147 12 0 "[ . 1 . 2 .]"
2 13 LEU 9.521 0.299 11 0 "[ . 1 . 2 .]"
2 14 LEU 28.123 0.288 18 0 "[ . 1 . 2 .]"
2 15 ASP 1.117 0.118 5 0 "[ . 1 . 2 .]"
2 16 GLU 0.594 0.073 13 0 "[ . 1 . 2 .]"
2 17 LEU 7.745 0.286 18 0 "[ . 1 . 2 .]"
2 18 ARG 1.439 0.118 5 0 "[ . 1 . 2 .]"
2 19 SER 1.366 0.116 11 0 "[ . 1 . 2 .]"
2 20 ILE 4.842 0.166 23 0 "[ . 1 . 2 .]"
2 21 TYR 1.059 0.088 8 0 "[ . 1 . 2 .]"
2 22 ARG 1.669 0.116 11 0 "[ . 1 . 2 .]"
2 23 THR 6.628 0.254 19 0 "[ . 1 . 2 .]"
2 24 ILE 0.184 0.044 4 0 "[ . 1 . 2 .]"
2 25 VAL 1.044 0.114 19 0 "[ . 1 . 2 .]"
2 26 LEU 5.563 0.254 19 0 "[ . 1 . 2 .]"
2 27 GLU 5.475 0.297 14 0 "[ . 1 . 2 .]"
2 28 TYR 2.781 0.116 25 0 "[ . 1 . 2 .]"
2 29 PHE 0.690 0.069 8 0 "[ . 1 . 2 .]"
2 30 ASN 2.949 0.209 20 0 "[ . 1 . 2 .]"
2 31 THR 0.000 0.000 . 0 "[ . 1 . 2 .]"
2 32 ASP 0.000 0.000 . 0 "[ . 1 . 2 .]"
2 33 ALA 1.854 0.114 18 0 "[ . 1 . 2 .]"
2 34 LYS 2.315 0.232 21 0 "[ . 1 . 2 .]"
2 35 VAL 11.675 0.276 7 0 "[ . 1 . 2 .]"
2 36 ASN 3.520 0.134 4 0 "[ . 1 . 2 .]"
2 37 GLU 0.450 0.071 24 0 "[ . 1 . 2 .]"
2 38 ARG 13.171 0.298 24 0 "[ . 1 . 2 .]"
2 39 ILE 1.861 0.105 24 0 "[ . 1 . 2 .]"
2 40 ASP 0.249 0.047 3 0 "[ . 1 . 2 .]"
2 41 GLU 1.868 0.089 24 0 "[ . 1 . 2 .]"
2 42 PHE 0.049 0.029 20 0 "[ . 1 . 2 .]"
2 43 VAL 0.053 0.021 13 0 "[ . 1 . 2 .]"
2 44 SER 7.551 0.196 16 0 "[ . 1 . 2 .]"
2 45 LYS 9.390 0.288 18 0 "[ . 1 . 2 .]"
2 46 ALA 1.836 0.137 1 0 "[ . 1 . 2 .]"
2 47 PHE 0.992 0.132 12 0 "[ . 1 . 2 .]"
2 48 PHE 4.848 0.189 3 0 "[ . 1 . 2 .]"
2 49 ALA 4.676 0.253 13 0 "[ . 1 . 2 .]"
2 50 ASP 0.032 0.031 2 0 "[ . 1 . 2 .]"
2 51 ILE 12.993 0.294 16 0 "[ . 1 . 2 .]"
2 52 SER 0.000 0.000 . 0 "[ . 1 . 2 .]"
2 53 VAL 1.201 0.087 17 0 "[ . 1 . 2 .]"
2 54 SER 0.803 0.079 23 0 "[ . 1 . 2 .]"
2 55 GLN 1.531 0.113 3 0 "[ . 1 . 2 .]"
2 56 VAL 2.726 0.162 8 0 "[ . 1 . 2 .]"
2 57 LEU 1.608 0.079 23 0 "[ . 1 . 2 .]"
2 58 GLU 4.021 0.287 15 0 "[ . 1 . 2 .]"
2 59 ILE 2.502 0.088 8 0 "[ . 1 . 2 .]"
2 60 HIS 1.101 0.132 13 0 "[ . 1 . 2 .]"
2 61 VAL 7.464 0.199 24 0 "[ . 1 . 2 .]"
2 62 GLU 9.466 0.199 24 0 "[ . 1 . 2 .]"
2 63 LEU 3.345 0.159 12 0 "[ . 1 . 2 .]"
2 64 MET 0.201 0.058 13 0 "[ . 1 . 2 .]"
2 65 ASP 0.970 0.097 23 0 "[ . 1 . 2 .]"
2 66 THR 3.270 0.159 12 0 "[ . 1 . 2 .]"
2 67 PHE 0.026 0.022 23 0 "[ . 1 . 2 .]"
2 68 SER 0.341 0.097 24 0 "[ . 1 . 2 .]"
2 69 LYS 0.120 0.057 12 0 "[ . 1 . 2 .]"
2 70 GLN 1.084 0.233 20 0 "[ . 1 . 2 .]"
2 71 LEU 8.595 0.186 5 0 "[ . 1 . 2 .]"
2 72 LYS 2.631 0.195 15 0 "[ . 1 . 2 .]"
2 73 LEU 4.310 0.171 16 0 "[ . 1 . 2 .]"
2 74 GLU 13.735 0.272 5 0 "[ . 1 . 2 .]"
2 76 ARG 2.798 0.215 17 0 "[ . 1 . 2 .]"
2 77 SER 0.409 0.121 20 0 "[ . 1 . 2 .]"
2 78 GLU 4.127 0.186 5 0 "[ . 1 . 2 .]"
2 79 ASP 5.251 0.244 23 0 "[ . 1 . 2 .]"
2 80 ILE 3.455 0.166 16 0 "[ . 1 . 2 .]"
2 81 LEU 2.654 0.122 23 0 "[ . 1 . 2 .]"
2 82 LEU 5.251 0.244 23 0 "[ . 1 . 2 .]"
2 83 ASP 0.766 0.166 16 0 "[ . 1 . 2 .]"
2 84 TYR 1.362 0.114 19 0 "[ . 1 . 2 .]"
2 85 ARG 0.000 0.000 . 0 "[ . 1 . 2 .]"
2 86 LEU 1.907 0.085 23 0 "[ . 1 . 2 .]"
2 87 THR 0.259 0.054 17 0 "[ . 1 . 2 .]"
2 88 LEU 1.008 0.132 13 0 "[ . 1 . 2 .]"
2 89 ILE 0.060 0.021 14 0 "[ . 1 . 2 .]"
2 90 ASP 0.000 0.000 . 0 "[ . 1 . 2 .]"
2 91 VAL 0.328 0.042 12 0 "[ . 1 . 2 .]"
2 92 ILE 3.217 0.211 1 0 "[ . 1 . 2 .]"
2 93 ALA 0.000 0.000 . 0 "[ . 1 . 2 .]"
2 94 HIS 0.017 0.017 24 0 "[ . 1 . 2 .]"
2 95 LEU 7.045 0.284 11 0 "[ . 1 . 2 .]"
2 96 CYS 0.000 0.000 . 0 "[ . 1 . 2 .]"
2 97 GLU 0.000 0.000 . 0 "[ . 1 . 2 .]"
2 98 MET 9.851 0.218 17 0 "[ . 1 . 2 .]"
2 99 TYR 0.281 0.069 8 0 "[ . 1 . 2 .]"
2 100 ARG 0.000 0.000 . 0 "[ . 1 . 2 .]"
2 101 ARG 0.816 0.081 3 0 "[ . 1 . 2 .]"
2 102 SER 0.000 0.000 . 0 "[ . 1 . 2 .]"
2 103 ILE 0.091 0.049 23 0 "[ . 1 . 2 .]"
2 104 PRO 0.000 0.000 . 0 "[ . 1 . 2 .]"
2 105 ARG 1.381 0.201 13 0 "[ . 1 . 2 .]"
2 106 GLU 0.991 0.201 13 0 "[ . 1 . 2 .]"
2 107 VAL 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 2 MET HA 1 2 MET QG 2.500 . 3.200 2.441 2.106 3.393 0.193 22 0 "[ . 1 . 2 .]" 3
2 1 4 ARG HA 1 4 ARG QG 3.000 . 3.800 2.422 2.089 3.295 . 0 0 "[ . 1 . 2 .]" 3
3 1 4 ARG HB2 1 4 ARG QD 3.000 . 3.800 2.595 2.138 3.273 . 0 0 "[ . 1 . 2 .]" 3
4 1 5 MET QG 1 9 ASP HB2 3.000 . 3.800 3.707 3.451 3.876 0.076 10 0 "[ . 1 . 2 .]" 3
5 1 5 MET QG 1 9 ASP HB3 4.000 . 5.500 4.575 4.251 4.921 . 0 0 "[ . 1 . 2 .]" 3
6 1 5 MET QG 1 9 ASP HA 4.000 . 5.500 5.475 5.185 5.573 0.073 22 0 "[ . 1 . 2 .]" 3
7 1 6 SER HA 1 7 PRO HB3 4.000 . 5.000 5.071 4.922 5.162 0.162 6 0 "[ . 1 . 2 .]" 3
8 1 6 SER HA 1 7 PRO HB2 4.000 . 6.000 5.732 5.663 5.777 . 0 0 "[ . 1 . 2 .]" 3
9 1 6 SER HB2 1 7 PRO HD3 4.000 . 5.000 3.827 3.592 4.530 . 0 0 "[ . 1 . 2 .]" 3
10 1 6 SER HA 1 7 PRO HD3 2.500 . 2.700 2.468 2.297 2.562 . 0 0 "[ . 1 . 2 .]" 3
11 1 6 SER HB3 1 7 PRO HD3 3.000 . 3.300 3.369 3.291 3.498 0.198 13 0 "[ . 1 . 2 .]" 3
12 1 6 SER HB3 1 7 PRO HD2 3.000 . 3.300 2.149 2.051 2.213 . 0 0 "[ . 1 . 2 .]" 3
13 1 6 SER HA 1 7 PRO HD2 2.500 . 2.700 2.637 2.556 2.740 0.040 22 0 "[ . 1 . 2 .]" 3
14 1 6 SER HB2 1 7 PRO HD2 3.000 . 3.300 2.485 2.161 3.431 0.131 21 0 "[ . 1 . 2 .]" 3
15 1 6 SER HA 1 7 PRO HG3 4.000 . 5.000 4.678 4.530 4.750 . 0 0 "[ . 1 . 2 .]" 3
16 1 6 SER HB3 1 7 PRO HG3 4.000 . 5.000 4.799 4.612 4.886 . 0 0 "[ . 1 . 2 .]" 3
17 1 6 SER HA 1 7 PRO HG2 4.000 . 5.000 4.737 4.664 4.822 . 0 0 "[ . 1 . 2 .]" 3
18 1 6 SER HA 1 7 PRO HA 4.000 . 5.000 4.373 4.340 4.392 . 0 0 "[ . 1 . 2 .]" 3
19 1 6 SER HB3 1 8 ALA MB 4.000 . 5.500 3.903 2.568 4.417 . 0 0 "[ . 1 . 2 .]" 3
20 1 6 SER HB2 1 8 ALA MB 4.000 . 5.500 2.955 2.628 3.538 . 0 0 "[ . 1 . 2 .]" 3
21 1 7 PRO HA 1 10 LYS HB2 3.000 . 3.300 3.323 3.184 3.398 0.098 9 0 "[ . 1 . 2 .]" 3
22 1 7 PRO HA 1 10 LYS QD 4.000 . 5.500 5.413 5.051 5.549 0.049 23 0 "[ . 1 . 2 .]" 3
23 1 7 PRO HA 1 10 LYS QG 4.000 . 5.500 4.896 4.733 4.978 . 0 0 "[ . 1 . 2 .]" 3
24 1 8 ALA MB 1 9 ASP HA 4.000 . 5.500 3.792 3.719 3.869 . 0 0 "[ . 1 . 2 .]" 3
25 1 8 ALA MB 1 11 ARG QB 4.000 . 6.000 3.549 3.279 3.726 . 0 0 "[ . 1 . 2 .]" 3
26 1 8 ALA HA 1 11 ARG QB 3.000 . 3.800 2.414 2.132 2.891 . 0 0 "[ . 1 . 2 .]" 3
27 1 8 ALA MB 1 11 ARG QD 4.000 . 6.000 5.649 5.087 6.011 0.011 3 0 "[ . 1 . 2 .]" 3
28 1 8 ALA HA 1 11 ARG QG 4.000 . 5.500 3.198 2.231 4.113 . 0 0 "[ . 1 . 2 .]" 3
29 1 8 ALA HA 1 11 ARG QD 4.000 . 5.500 4.753 3.799 5.424 . 0 0 "[ . 1 . 2 .]" 3
30 1 8 ALA MB 1 12 LYS QE 4.000 . 6.000 4.070 2.639 5.588 . 0 0 "[ . 1 . 2 .]" 3
31 1 9 ASP HA 1 12 LYS QB 2.500 . 3.200 2.565 2.189 3.117 . 0 0 "[ . 1 . 2 .]" 3
32 1 9 ASP HA 1 12 LYS QD 3.000 . 3.800 3.069 2.343 3.847 0.047 1 0 "[ . 1 . 2 .]" 3
33 1 9 ASP HA 1 12 LYS HG3 4.000 . 5.000 3.581 2.628 5.031 0.031 17 0 "[ . 1 . 2 .]" 3
34 1 10 LYS HB2 1 10 LYS QE 4.000 . 5.500 4.287 4.112 4.568 . 0 0 "[ . 1 . 2 .]" 3
35 1 10 LYS HA 1 10 LYS QD 2.500 . 3.200 3.192 2.950 3.267 0.067 4 0 "[ . 1 . 2 .]" 3
36 1 10 LYS HA 1 10 LYS QG 2.500 . 3.200 2.143 2.128 2.172 . 0 0 "[ . 1 . 2 .]" 3
37 1 10 LYS HA 1 13 LEU QD 2.500 . 3.200 2.156 2.040 2.324 . 0 0 "[ . 1 . 2 .]" 3
38 1 10 LYS QE 1 13 LEU QD 3.000 . 4.300 4.298 4.086 4.438 0.138 2 0 "[ . 1 . 2 .]" 3
39 1 10 LYS HA 1 13 LEU HB3 3.000 . 3.300 3.567 3.515 3.600 0.300 11 0 "[ . 1 . 2 .]" 3
40 1 10 LYS QE 1 14 LEU MD1 3.000 . 4.300 2.694 2.124 3.727 . 0 0 "[ . 1 . 2 .]" 3
41 1 10 LYS QE 1 14 LEU MD2 3.000 . 4.300 2.245 2.038 3.030 . 0 0 "[ . 1 . 2 .]" 3
42 1 10 LYS QE 1 49 ALA MB 3.000 . 4.300 2.918 2.305 3.987 . 0 0 "[ . 1 . 2 .]" 3
43 1 10 LYS QE 1 51 ILE MD 4.000 . 6.000 2.381 1.957 2.989 . 0 0 "[ . 1 . 2 .]" 3
44 1 10 LYS QD 1 51 ILE MD 4.000 . 6.000 3.588 3.257 4.062 . 0 0 "[ . 1 . 2 .]" 3
45 1 10 LYS QE 1 51 ILE MG 4.000 . 7.000 2.794 2.138 3.534 . 0 0 "[ . 1 . 2 .]" 3
46 1 11 ARG HA 1 11 ARG QD 3.000 . 3.800 2.047 1.968 2.130 . 0 0 "[ . 1 . 2 .]" 3
47 1 11 ARG HA 1 11 ARG QG 2.500 . 3.200 2.644 2.254 2.941 . 0 0 "[ . 1 . 2 .]" 3
48 1 11 ARG QD 1 14 LEU MD2 3.000 . 4.300 4.389 4.279 4.459 0.159 15 0 "[ . 1 . 2 .]" 3
49 1 11 ARG HA 1 14 LEU HB2 2.500 . 2.700 2.662 2.329 2.776 0.076 7 0 "[ . 1 . 2 .]" 3
50 1 11 ARG QD 1 14 LEU HB2 4.000 . 5.500 3.223 2.153 4.097 . 0 0 "[ . 1 . 2 .]" 3
51 1 12 LYS HA 1 12 LYS HG3 3.000 . 3.300 2.887 2.262 3.269 . 0 0 "[ . 1 . 2 .]" 3
52 1 12 LYS HA 1 12 LYS QD 3.000 . 3.800 3.884 3.825 3.948 0.148 12 0 "[ . 1 . 2 .]" 3
53 1 12 LYS HA 1 12 LYS HG2 3.000 . 3.300 2.432 2.230 2.896 . 0 0 "[ . 1 . 2 .]" 3
54 1 12 LYS HA 1 15 ASP HB2 3.000 . 3.300 2.510 2.186 2.762 . 0 0 "[ . 1 . 2 .]" 3
55 1 13 LEU HA 1 13 LEU QD 2.500 . 3.200 2.210 2.009 2.292 . 0 0 "[ . 1 . 2 .]" 3
56 1 13 LEU HA 1 16 GLU QB 2.500 . 3.200 3.137 2.663 3.254 0.054 18 0 "[ . 1 . 2 .]" 3
57 1 13 LEU QD 1 16 GLU QB 4.000 . 6.000 3.655 3.409 3.913 . 0 0 "[ . 1 . 2 .]" 3
58 1 13 LEU HG 1 16 GLU QG 4.000 . 5.500 5.180 4.750 5.550 0.050 10 0 "[ . 1 . 2 .]" 3
59 1 13 LEU QD 1 45 LYS HD3 4.000 . 5.500 3.833 3.562 4.408 . 0 0 "[ . 1 . 2 .]" 3
60 1 13 LEU QD 1 45 LYS HD2 4.000 . 6.500 2.468 2.176 3.033 . 0 0 "[ . 1 . 2 .]" 3
61 1 13 LEU QD 1 45 LYS HB2 4.000 . 5.500 4.536 4.252 5.035 . 0 0 "[ . 1 . 2 .]" 3
62 1 13 LEU QD 1 45 LYS HB3 4.000 . 5.500 3.210 2.852 3.723 . 0 0 "[ . 1 . 2 .]" 3
63 1 13 LEU QD 1 48 PHE QD 3.000 . 3.800 3.866 3.793 3.930 0.130 3 0 "[ . 1 . 2 .]" 3
64 1 13 LEU QD 1 48 PHE QB 4.000 . 6.000 4.262 3.907 5.160 . 0 0 "[ . 1 . 2 .]" 3
65 1 13 LEU QD 1 49 ALA HA 3.000 . 3.800 3.712 3.127 3.839 0.039 2 0 "[ . 1 . 2 .]" 3
66 1 13 LEU QD 1 49 ALA MB 2.500 . 3.700 2.352 2.184 2.644 . 0 0 "[ . 1 . 2 .]" 3
67 1 14 LEU HA 1 14 LEU MD1 2.500 . 3.200 3.404 3.320 3.482 0.282 8 0 "[ . 1 . 2 .]" 3
68 1 14 LEU HA 1 14 LEU HG 3.000 . 3.300 3.437 3.374 3.479 0.179 12 0 "[ . 1 . 2 .]" 3
69 1 14 LEU HA 1 14 LEU MD2 3.000 . 3.800 1.931 1.904 1.951 . 0 0 "[ . 1 . 2 .]" 3
70 1 14 LEU HG 1 17 LEU MD1 3.000 . 3.800 4.062 4.041 4.086 0.286 18 0 "[ . 1 . 2 .]" 3
71 1 14 LEU HA 1 17 LEU MD1 3.000 . 3.800 1.979 1.919 2.085 . 0 0 "[ . 1 . 2 .]" 3
72 1 14 LEU MD2 1 17 LEU MD1 2.500 . 3.700 1.752 1.736 1.778 0.064 24 0 "[ . 1 . 2 .]" 3
73 1 14 LEU MD1 1 17 LEU MD1 2.500 . 3.700 3.341 3.103 3.549 . 0 0 "[ . 1 . 2 .]" 3
74 1 14 LEU MD2 1 17 LEU MD2 3.000 . 4.300 3.958 3.921 3.989 . 0 0 "[ . 1 . 2 .]" 3
75 1 14 LEU MD2 1 17 LEU HB2 4.000 . 5.500 3.469 3.229 3.648 . 0 0 "[ . 1 . 2 .]" 3
76 1 14 LEU MD1 1 17 LEU HB2 4.000 . 6.500 4.590 4.383 4.735 . 0 0 "[ . 1 . 2 .]" 3
77 1 14 LEU HA 1 17 LEU MD2 4.000 . 5.500 4.174 4.118 4.245 . 0 0 "[ . 1 . 2 .]" 3
78 1 14 LEU HA 1 17 LEU HB2 3.000 . 3.300 2.356 2.175 2.531 . 0 0 "[ . 1 . 2 .]" 3
79 1 14 LEU HA 1 17 LEU HB3 4.000 . 5.000 3.882 3.742 4.037 . 0 0 "[ . 1 . 2 .]" 3
80 1 14 LEU MD2 1 45 LYS QE 3.000 . 4.300 4.515 4.422 4.588 0.288 18 0 "[ . 1 . 2 .]" 3
81 1 14 LEU MD1 1 46 ALA MB 4.000 . 6.000 6.064 5.813 6.137 0.137 1 0 "[ . 1 . 2 .]" 3
82 1 14 LEU MD2 1 46 ALA HA 4.000 . 5.500 4.588 4.380 4.757 . 0 0 "[ . 1 . 2 .]" 3
83 1 14 LEU MD2 1 49 ALA MB 2.500 . 3.700 3.427 2.991 3.697 . 0 0 "[ . 1 . 2 .]" 3
84 1 14 LEU MD2 1 51 ILE MD 2.500 . 3.700 1.901 1.777 1.985 0.023 13 0 "[ . 1 . 2 .]" 3
85 1 14 LEU MD1 1 51 ILE MD 3.000 . 4.300 3.122 2.823 3.479 . 0 0 "[ . 1 . 2 .]" 3
86 1 14 LEU HG 1 51 ILE MD 4.000 . 5.500 4.099 3.820 4.254 . 0 0 "[ . 1 . 2 .]" 3
87 1 14 LEU MD1 1 51 ILE HA 4.000 . 5.500 5.416 5.026 5.588 0.088 23 0 "[ . 1 . 2 .]" 3
88 1 14 LEU MD2 1 51 ILE HA 4.000 . 5.500 4.923 4.613 5.120 . 0 0 "[ . 1 . 2 .]" 3
89 1 14 LEU MD2 1 51 ILE MG 3.000 . 4.300 3.004 2.637 3.241 . 0 0 "[ . 1 . 2 .]" 3
90 1 14 LEU MD1 1 55 GLN HB2 4.000 . 5.500 3.918 3.711 4.147 . 0 0 "[ . 1 . 2 .]" 3
91 1 14 LEU MD1 1 55 GLN HB3 3.000 . 3.800 2.609 2.422 2.835 . 0 0 "[ . 1 . 2 .]" 3
92 1 14 LEU MD2 1 55 GLN HB3 3.000 . 3.800 3.816 3.550 3.912 0.112 3 0 "[ . 1 . 2 .]" 3
93 1 14 LEU MD2 1 55 GLN QG 3.000 . 4.300 4.299 4.139 4.352 0.052 8 0 "[ . 1 . 2 .]" 3
94 1 14 LEU MD1 1 55 GLN QG 3.000 . 4.300 3.402 3.177 3.604 . 0 0 "[ . 1 . 2 .]" 3
95 1 15 ASP HA 1 18 ARG QD 2.500 . 3.200 3.091 2.331 3.318 0.118 5 0 "[ . 1 . 2 .]" 3
96 1 15 ASP HA 1 18 ARG QB 3.000 . 3.800 2.616 2.247 3.097 . 0 0 "[ . 1 . 2 .]" 3
97 1 16 GLU QB 1 19 SER QB 4.000 . 6.000 4.276 4.009 4.796 . 0 0 "[ . 1 . 2 .]" 3
98 1 16 GLU HA 1 19 SER QB 2.500 . 3.200 2.918 2.727 3.176 . 0 0 "[ . 1 . 2 .]" 3
99 1 16 GLU QG 1 19 SER QB 4.000 . 6.000 4.664 4.123 5.438 . 0 0 "[ . 1 . 2 .]" 3
100 1 16 GLU QG 1 20 ILE MD 3.000 . 4.300 4.143 2.132 4.373 0.073 13 0 "[ . 1 . 2 .]" 3
101 1 16 GLU HA 1 20 ILE MD 4.000 . 5.500 4.132 3.822 4.397 . 0 0 "[ . 1 . 2 .]" 3
102 1 16 GLU QB 1 45 LYS QE 3.000 . 4.300 3.326 3.129 3.603 . 0 0 "[ . 1 . 2 .]" 3
103 1 17 LEU HB2 1 17 LEU MD1 3.000 . 3.800 2.159 2.101 2.240 . 0 0 "[ . 1 . 2 .]" 3
104 1 17 LEU HA 1 17 LEU MD2 2.500 . 3.200 2.126 2.102 2.164 . 0 0 "[ . 1 . 2 .]" 3
105 1 17 LEU HA 1 17 LEU MD1 4.000 . 5.500 3.821 3.783 3.840 . 0 0 "[ . 1 . 2 .]" 3
106 1 17 LEU HG 1 20 ILE MD 4.000 . 6.500 3.566 3.249 4.023 . 0 0 "[ . 1 . 2 .]" 3
107 1 17 LEU MD2 1 20 ILE MD 3.000 . 4.300 2.551 2.272 2.972 . 0 0 "[ . 1 . 2 .]" 3
108 1 17 LEU MD2 1 20 ILE HB 4.000 . 5.500 3.271 3.091 3.539 . 0 0 "[ . 1 . 2 .]" 3
109 1 17 LEU HA 1 20 ILE MG 4.000 . 5.500 3.753 3.648 3.962 . 0 0 "[ . 1 . 2 .]" 3
110 1 17 LEU MD2 1 20 ILE MG 4.000 . 6.000 3.571 3.391 3.834 . 0 0 "[ . 1 . 2 .]" 3
111 1 17 LEU HA 1 20 ILE HB 4.000 . 5.000 2.277 2.157 2.567 . 0 0 "[ . 1 . 2 .]" 3
112 1 17 LEU HA 1 20 ILE MD 3.000 . 3.800 2.472 2.177 3.016 . 0 0 "[ . 1 . 2 .]" 3
113 1 17 LEU MD2 1 42 PHE QD 4.000 . 5.500 2.426 2.229 2.693 . 0 0 "[ . 1 . 2 .]" 3
114 1 17 LEU MD2 1 42 PHE QE 4.000 . 5.500 2.704 2.474 2.990 . 0 0 "[ . 1 . 2 .]" 3
115 1 17 LEU MD2 1 42 PHE HA 3.000 . 3.800 2.333 2.118 2.534 . 0 0 "[ . 1 . 2 .]" 3
116 1 17 LEU MD2 1 45 LYS HD3 4.000 . 5.500 4.212 4.139 4.472 . 0 0 "[ . 1 . 2 .]" 3
117 1 17 LEU MD2 1 45 LYS HD2 4.000 . 5.500 4.065 3.939 4.351 . 0 0 "[ . 1 . 2 .]" 3
118 1 17 LEU MD2 1 45 LYS HG3 4.000 . 5.500 3.869 3.756 4.010 . 0 0 "[ . 1 . 2 .]" 3
119 1 17 LEU MD2 1 45 LYS QE 4.000 . 6.000 1.880 1.799 2.085 0.001 11 0 "[ . 1 . 2 .]" 3
120 1 17 LEU MD2 1 45 LYS HB3 3.000 . 3.800 2.870 2.634 3.054 . 0 0 "[ . 1 . 2 .]" 3
121 1 17 LEU MD2 1 45 LYS HB2 3.000 . 3.800 2.158 2.077 2.321 . 0 0 "[ . 1 . 2 .]" 3
122 1 17 LEU MD1 1 46 ALA HA 3.000 . 3.800 3.297 2.894 3.782 . 0 0 "[ . 1 . 2 .]" 3
123 1 17 LEU MD1 1 46 ALA MB 3.000 . 4.300 3.385 3.038 3.671 . 0 0 "[ . 1 . 2 .]" 3
124 1 17 LEU MD2 1 46 ALA HA 4.000 . 5.500 3.830 3.299 4.242 . 0 0 "[ . 1 . 2 .]" 3
125 1 17 LEU MD2 1 46 ALA MB 3.000 . 4.300 3.243 2.850 3.504 . 0 0 "[ . 1 . 2 .]" 3
126 1 17 LEU MD2 1 49 ALA MB 4.000 . 7.000 4.718 4.136 5.122 . 0 0 "[ . 1 . 2 .]" 3
127 1 17 LEU MD1 1 51 ILE MD 2.500 . 3.700 2.147 1.901 2.561 . 0 0 "[ . 1 . 2 .]" 3
128 1 17 LEU MD2 1 51 ILE MD 4.000 . 6.000 3.534 3.281 4.176 . 0 0 "[ . 1 . 2 .]" 3
129 1 17 LEU MD1 1 51 ILE MG 3.000 . 4.300 3.391 3.132 3.671 . 0 0 "[ . 1 . 2 .]" 3
130 1 17 LEU MD1 1 51 ILE HG13 4.000 . 5.500 4.156 3.644 4.653 . 0 0 "[ . 1 . 2 .]" 3
131 1 17 LEU MD1 1 51 ILE HG12 4.000 . 5.500 4.565 4.127 5.014 . 0 0 "[ . 1 . 2 .]" 3
132 1 17 LEU MD2 1 51 ILE MG 4.000 . 6.000 4.778 4.442 5.376 . 0 0 "[ . 1 . 2 .]" 3
133 1 17 LEU MD1 1 56 VAL MG2 4.000 . 6.000 3.769 3.375 4.248 . 0 0 "[ . 1 . 2 .]" 3
134 1 17 LEU MD1 1 59 ILE MD 3.000 . 4.300 2.572 2.267 3.085 . 0 0 "[ . 1 . 2 .]" 3
135 1 17 LEU HB2 1 59 ILE MD 4.000 . 5.500 2.519 2.223 3.015 . 0 0 "[ . 1 . 2 .]" 3
136 1 17 LEU MD2 1 59 ILE MD 4.000 . 6.000 3.923 3.554 4.471 . 0 0 "[ . 1 . 2 .]" 3
137 1 17 LEU HB3 1 59 ILE MD 4.000 . 5.500 2.775 2.384 3.370 . 0 0 "[ . 1 . 2 .]" 3
138 1 18 ARG HA 1 18 ARG QD 4.000 . 5.500 4.100 3.853 4.590 . 0 0 "[ . 1 . 2 .]" 3
139 1 18 ARG HA 1 21 TYR HB2 4.000 . 5.000 3.662 3.169 4.012 . 0 0 "[ . 1 . 2 .]" 3
140 1 18 ARG HA 1 21 TYR HB3 4.000 . 5.000 2.837 2.431 3.183 . 0 0 "[ . 1 . 2 .]" 3
141 1 18 ARG QG 1 59 ILE MD 4.000 . 6.000 4.591 2.903 5.481 . 0 0 "[ . 1 . 2 .]" 3
142 1 18 ARG QG 1 59 ILE MG 3.000 . 4.300 3.073 1.943 4.167 . 0 0 "[ . 1 . 2 .]" 3
143 1 18 ARG QD 1 59 ILE MG 4.000 . 6.000 3.970 3.414 4.905 . 0 0 "[ . 1 . 2 .]" 3
144 1 18 ARG HA 1 59 ILE MG 2.500 . 3.200 2.453 2.235 2.785 . 0 0 "[ . 1 . 2 .]" 3
145 1 18 ARG HA 1 59 ILE MD 3.000 . 3.800 3.738 3.470 3.855 0.055 14 0 "[ . 1 . 2 .]" 3
146 1 18 ARG QD 1 59 ILE MD 4.000 . 6.000 5.180 4.192 5.942 . 0 0 "[ . 1 . 2 .]" 3
147 1 19 SER QB 1 20 ILE HG12 4.000 . 5.500 4.479 4.328 5.131 . 0 0 "[ . 1 . 2 .]" 3
148 1 19 SER HA 1 22 ARG QD 3.000 . 3.800 3.667 3.433 3.859 0.059 11 0 "[ . 1 . 2 .]" 3
149 1 19 SER QB 1 22 ARG QD 4.000 . 6.000 5.168 4.779 5.406 . 0 0 "[ . 1 . 2 .]" 3
150 1 19 SER HA 1 22 ARG HG3 4.000 . 5.000 5.047 4.990 5.117 0.117 11 0 "[ . 1 . 2 .]" 3
151 1 19 SER HA 1 22 ARG HB2 4.000 . 5.000 3.345 3.065 3.497 . 0 0 "[ . 1 . 2 .]" 3
152 1 19 SER HA 1 22 ARG HB3 4.000 . 5.000 2.356 2.245 2.449 . 0 0 "[ . 1 . 2 .]" 3
153 1 20 ILE HA 1 20 ILE HG13 3.000 . 3.300 2.872 2.766 2.931 . 0 0 "[ . 1 . 2 .]" 3
154 1 20 ILE HA 1 20 ILE MG 2.500 . 3.200 2.344 2.282 2.410 . 0 0 "[ . 1 . 2 .]" 3
155 1 20 ILE HA 1 20 ILE HG12 3.000 . 3.300 2.572 2.487 2.749 . 0 0 "[ . 1 . 2 .]" 3
156 1 20 ILE HA 1 20 ILE MD 3.000 . 3.800 3.828 3.797 3.869 0.069 3 0 "[ . 1 . 2 .]" 3
157 1 20 ILE HA 1 23 THR HB 3.000 . 3.300 3.035 2.525 3.282 . 0 0 "[ . 1 . 2 .]" 3
158 1 20 ILE MG 1 23 THR HB 4.000 . 5.500 3.480 3.304 3.692 . 0 0 "[ . 1 . 2 .]" 3
159 1 20 ILE HA 1 23 THR MG 4.000 . 5.500 4.215 3.785 4.435 . 0 0 "[ . 1 . 2 .]" 3
160 1 20 ILE MG 1 24 ILE MD 2.500 . 3.700 2.712 2.457 2.871 . 0 0 "[ . 1 . 2 .]" 3
161 1 20 ILE MG 1 24 ILE MG 4.000 . 6.000 4.868 4.634 5.050 . 0 0 "[ . 1 . 2 .]" 3
162 1 20 ILE HB 1 24 ILE MD 4.000 . 5.500 4.968 4.732 5.173 . 0 0 "[ . 1 . 2 .]" 3
163 1 20 ILE MG 1 38 ARG HB3 4.000 . 5.500 3.241 3.019 3.476 . 0 0 "[ . 1 . 2 .]" 3
164 1 20 ILE MG 1 38 ARG QG 3.000 . 4.300 4.309 4.107 4.407 0.107 12 0 "[ . 1 . 2 .]" 3
165 1 20 ILE MG 1 38 ARG HD3 3.000 . 3.800 2.684 2.407 3.015 . 0 0 "[ . 1 . 2 .]" 3
166 1 20 ILE MG 1 38 ARG HD2 4.000 . 5.500 3.784 2.602 4.267 . 0 0 "[ . 1 . 2 .]" 3
167 1 20 ILE MG 1 38 ARG HA 4.000 . 5.500 3.433 3.019 3.715 . 0 0 "[ . 1 . 2 .]" 3
168 1 20 ILE MG 1 39 ILE HG13 4.000 . 5.500 5.469 5.249 5.549 0.049 20 0 "[ . 1 . 2 .]" 3
169 1 20 ILE MG 1 39 ILE HA 4.000 . 5.500 4.013 3.710 4.183 . 0 0 "[ . 1 . 2 .]" 3
170 1 20 ILE MG 1 41 GLU HB2 4.000 . 5.500 3.905 3.344 4.325 . 0 0 "[ . 1 . 2 .]" 3
171 1 20 ILE MG 1 41 GLU HG3 4.000 . 5.500 4.197 3.754 4.895 . 0 0 "[ . 1 . 2 .]" 3
172 1 20 ILE MG 1 41 GLU HG2 4.000 . 5.500 3.496 3.081 3.969 . 0 0 "[ . 1 . 2 .]" 3
173 1 20 ILE MD 1 41 GLU HG2 3.000 . 3.800 2.258 2.021 2.763 . 0 0 "[ . 1 . 2 .]" 3
174 1 20 ILE HB 1 42 PHE QD 4.000 . 5.000 2.782 2.425 3.003 . 0 0 "[ . 1 . 2 .]" 3
175 1 20 ILE MG 1 42 PHE QD 3.000 . 3.800 2.747 2.345 3.162 . 0 0 "[ . 1 . 2 .]" 3
176 1 20 ILE MD 1 42 PHE HA 3.000 . 3.800 3.370 3.059 3.663 . 0 0 "[ . 1 . 2 .]" 3
177 1 20 ILE MG 1 42 PHE HA 3.000 . 3.800 3.282 2.999 3.520 . 0 0 "[ . 1 . 2 .]" 3
178 1 20 ILE HB 1 42 PHE HA 4.000 . 6.000 4.295 3.872 4.543 . 0 0 "[ . 1 . 2 .]" 3
179 1 20 ILE MG 1 42 PHE HB3 3.000 . 3.800 3.688 3.492 3.830 0.030 20 0 "[ . 1 . 2 .]" 3
180 1 20 ILE MG 1 42 PHE HB2 3.000 . 3.800 2.242 2.114 2.435 . 0 0 "[ . 1 . 2 .]" 3
181 1 20 ILE MD 1 42 PHE QD 4.000 . 5.500 3.667 3.365 3.915 . 0 0 "[ . 1 . 2 .]" 3
182 1 20 ILE MD 1 45 LYS HD3 4.000 . 5.500 2.967 2.806 3.074 . 0 0 "[ . 1 . 2 .]" 3
183 1 20 ILE MD 1 45 LYS HD2 3.000 . 3.800 3.909 3.842 3.967 0.167 23 0 "[ . 1 . 2 .]" 3
184 1 20 ILE MD 1 45 LYS QE 3.000 . 4.300 2.078 1.947 2.202 . 0 0 "[ . 1 . 2 .]" 3
185 1 20 ILE MD 1 45 LYS HG3 4.000 . 5.500 3.739 3.488 3.962 . 0 0 "[ . 1 . 2 .]" 3
186 1 21 TYR HA 1 21 TYR QD 3.000 . 3.300 2.109 1.973 2.774 . 0 0 "[ . 1 . 2 .]" 3
187 1 21 TYR QD 1 24 ILE MD 4.000 . 5.500 4.209 3.928 4.972 . 0 0 "[ . 1 . 2 .]" 3
188 1 21 TYR HA 1 24 ILE HB 3.000 . 3.300 3.243 3.045 3.345 0.045 4 0 "[ . 1 . 2 .]" 3
189 1 21 TYR HA 1 24 ILE MG 4.000 . 5.500 4.078 3.976 4.181 . 0 0 "[ . 1 . 2 .]" 3
190 1 21 TYR HA 1 24 ILE MD 3.000 . 3.800 3.538 3.473 3.677 . 0 0 "[ . 1 . 2 .]" 3
191 1 21 TYR QE 1 24 ILE MG 4.000 . 5.500 3.586 3.117 4.250 . 0 0 "[ . 1 . 2 .]" 3
192 1 21 TYR QD 1 25 VAL MG2 3.000 . 3.800 3.089 2.199 3.804 0.004 10 0 "[ . 1 . 2 .]" 3
193 1 21 TYR HA 1 25 VAL MG2 4.000 . 6.500 4.545 4.302 4.880 . 0 0 "[ . 1 . 2 .]" 3
194 1 21 TYR QE 1 25 VAL MG2 3.000 . 3.800 2.628 2.008 3.277 . 0 0 "[ . 1 . 2 .]" 3
195 1 21 TYR QE 1 56 VAL MG2 4.000 . 6.500 5.598 4.633 6.307 . 0 0 "[ . 1 . 2 .]" 3
196 1 21 TYR QE 1 56 VAL MG1 4.000 . 5.500 3.571 2.461 4.494 . 0 0 "[ . 1 . 2 .]" 3
197 1 21 TYR QD 1 59 ILE MG 3.000 . 3.800 2.186 2.036 2.761 . 0 0 "[ . 1 . 2 .]" 3
198 1 21 TYR HA 1 59 ILE MG 4.000 . 5.500 5.474 5.122 5.588 0.088 8 0 "[ . 1 . 2 .]" 3
199 1 21 TYR HB2 1 59 ILE MG 3.000 . 3.800 3.478 3.049 3.660 . 0 0 "[ . 1 . 2 .]" 3
200 1 21 TYR HB3 1 59 ILE MG 3.000 . 3.800 3.335 3.087 3.600 . 0 0 "[ . 1 . 2 .]" 3
201 1 21 TYR QE 1 59 ILE MG 4.000 . 5.500 3.491 3.105 3.905 . 0 0 "[ . 1 . 2 .]" 3
202 1 21 TYR QD 1 60 HIS HA 4.000 . 5.000 3.954 3.641 4.228 . 0 0 "[ . 1 . 2 .]" 3
203 1 21 TYR QE 1 60 HIS HA 3.000 . 3.300 2.450 2.144 3.378 0.078 11 0 "[ . 1 . 2 .]" 3
204 1 21 TYR QE 1 60 HIS HB3 4.000 . 5.000 4.423 3.945 5.015 0.015 25 0 "[ . 1 . 2 .]" 3
205 1 21 TYR QD 1 63 LEU MD1 4.000 . 5.500 3.870 2.882 4.572 . 0 0 "[ . 1 . 2 .]" 3
206 1 21 TYR QD 1 63 LEU QB 4.000 . 6.500 3.464 2.727 4.178 . 0 0 "[ . 1 . 2 .]" 3
207 1 21 TYR QD 1 63 LEU MD2 3.000 . 3.800 2.641 2.154 3.149 . 0 0 "[ . 1 . 2 .]" 3
208 1 21 TYR QE 1 63 LEU MD2 3.000 . 3.800 2.747 2.079 3.514 . 0 0 "[ . 1 . 2 .]" 3
209 1 21 TYR QE 1 63 LEU MD1 4.000 . 5.500 4.723 3.930 5.524 0.024 13 0 "[ . 1 . 2 .]" 3
210 1 21 TYR QE 1 63 LEU QB 4.000 . 5.500 3.366 2.282 4.474 . 0 0 "[ . 1 . 2 .]" 3
211 1 21 TYR QE 1 64 MET ME 3.000 . 3.800 3.474 2.676 3.858 0.058 13 0 "[ . 1 . 2 .]" 3
212 1 21 TYR QE 1 87 THR MG 4.000 . 5.500 2.289 1.916 3.137 . 0 0 "[ . 1 . 2 .]" 3
213 1 21 TYR QD 1 87 THR MG 4.000 . 5.500 3.956 3.562 4.508 . 0 0 "[ . 1 . 2 .]" 3
214 1 21 TYR QE 1 88 LEU HA 4.000 . 5.000 3.623 3.040 4.023 . 0 0 "[ . 1 . 2 .]" 3
215 1 21 TYR QE 1 91 VAL HB 4.000 . 5.000 3.967 3.123 4.368 . 0 0 "[ . 1 . 2 .]" 3
216 1 21 TYR QD 1 91 VAL MG1 4.000 . 5.500 3.700 2.935 4.234 . 0 0 "[ . 1 . 2 .]" 3
217 1 21 TYR QD 1 91 VAL MG2 4.000 . 5.500 3.113 2.387 3.726 . 0 0 "[ . 1 . 2 .]" 3
218 1 21 TYR QE 1 91 VAL MG2 3.000 . 3.800 2.198 1.935 2.932 . 0 0 "[ . 1 . 2 .]" 3
219 1 21 TYR QE 1 91 VAL MG1 3.000 . 3.800 3.610 2.623 3.840 0.040 5 0 "[ . 1 . 2 .]" 3
220 1 22 ARG HA 1 22 ARG QD 3.000 . 3.800 3.361 3.026 3.760 . 0 0 "[ . 1 . 2 .]" 3
221 1 22 ARG HA 1 22 ARG HG3 3.000 . 3.300 2.597 2.539 2.638 . 0 0 "[ . 1 . 2 .]" 3
222 1 22 ARG HG3 1 23 THR HA 4.000 . 6.000 3.878 3.807 3.935 . 0 0 "[ . 1 . 2 .]" 3
223 1 22 ARG HA 1 25 VAL HB 3.000 . 3.300 3.134 2.716 3.292 . 0 0 "[ . 1 . 2 .]" 3
224 1 22 ARG HA 1 25 VAL MG2 3.000 . 3.800 3.335 2.940 3.637 . 0 0 "[ . 1 . 2 .]" 3
225 1 22 ARG HA 1 25 VAL MG1 4.000 . 5.500 4.487 4.123 4.670 . 0 0 "[ . 1 . 2 .]" 3
226 1 22 ARG QD 1 26 LEU MD1 3.000 . 4.300 3.408 3.000 3.792 . 0 0 "[ . 1 . 2 .]" 3
227 1 22 ARG HG3 1 63 LEU MD2 4.000 . 5.500 4.391 3.802 4.727 . 0 0 "[ . 1 . 2 .]" 3
228 1 22 ARG HA 1 63 LEU MD2 3.000 . 3.800 2.440 2.207 2.708 . 0 0 "[ . 1 . 2 .]" 3
229 1 22 ARG QD 1 63 LEU MD2 3.000 . 4.300 4.026 3.496 4.331 0.031 14 0 "[ . 1 . 2 .]" 3
230 1 22 ARG HA 1 63 LEU MD1 3.000 . 3.800 2.802 2.430 3.253 . 0 0 "[ . 1 . 2 .]" 3
231 1 22 ARG QD 1 63 LEU MD1 2.500 . 3.700 2.666 2.129 3.123 . 0 0 "[ . 1 . 2 .]" 3
232 1 22 ARG QD 1 63 LEU HA 4.000 . 5.500 5.385 5.047 5.571 0.071 24 0 "[ . 1 . 2 .]" 3
233 1 22 ARG HA 1 64 MET ME 4.000 . 5.500 5.284 5.010 5.489 . 0 0 "[ . 1 . 2 .]" 3
234 1 22 ARG HG2 1 67 PHE HZ 4.000 . 5.000 4.333 3.720 4.962 . 0 0 "[ . 1 . 2 .]" 3
235 1 23 THR HA 1 23 THR MG 2.500 . 3.200 2.337 2.150 2.662 . 0 0 "[ . 1 . 2 .]" 3
236 1 23 THR MG 1 24 ILE HA 4.000 . 5.500 3.702 3.079 4.070 . 0 0 "[ . 1 . 2 .]" 3
237 1 23 THR HA 1 26 LEU HB2 3.000 . 3.300 2.107 2.083 2.143 . 0 0 "[ . 1 . 2 .]" 3
238 1 23 THR HA 1 26 LEU MD1 3.000 . 3.800 2.305 2.120 2.584 . 0 0 "[ . 1 . 2 .]" 3
239 1 23 THR HA 1 26 LEU HB3 3.000 . 3.300 3.503 3.460 3.554 0.254 19 0 "[ . 1 . 2 .]" 3
240 1 23 THR HA 1 26 LEU HG 4.000 . 5.000 3.737 3.450 4.035 . 0 0 "[ . 1 . 2 .]" 3
241 1 23 THR HA 1 26 LEU MD2 4.000 . 5.500 4.528 4.383 4.719 . 0 0 "[ . 1 . 2 .]" 3
242 1 23 THR MG 1 26 LEU MD1 4.000 . 6.000 3.729 3.358 4.175 . 0 0 "[ . 1 . 2 .]" 3
243 1 23 THR MG 1 27 GLU HG3 3.000 . 3.800 2.526 2.289 3.914 0.114 16 0 "[ . 1 . 2 .]" 3
244 1 23 THR MG 1 27 GLU HG2 3.000 . 3.800 3.716 2.897 3.833 0.033 22 0 "[ . 1 . 2 .]" 3
245 1 23 THR MG 1 38 ARG HB3 4.000 . 5.500 3.352 2.808 3.918 . 0 0 "[ . 1 . 2 .]" 3
246 1 23 THR HB 1 38 ARG QG 4.000 . 5.500 3.897 3.431 4.645 . 0 0 "[ . 1 . 2 .]" 3
247 1 23 THR HB 1 38 ARG HD2 4.000 . 5.000 3.471 2.253 4.306 . 0 0 "[ . 1 . 2 .]" 3
248 1 23 THR HB 1 38 ARG HD3 4.000 . 5.000 3.549 2.269 4.567 . 0 0 "[ . 1 . 2 .]" 3
249 1 23 THR MG 1 38 ARG QG 3.000 . 4.300 2.329 2.129 2.920 . 0 0 "[ . 1 . 2 .]" 3
250 1 23 THR MG 1 38 ARG HD3 2.500 . 3.200 3.190 2.203 3.387 0.187 20 0 "[ . 1 . 2 .]" 3
251 1 23 THR MG 1 38 ARG HD2 2.500 . 3.200 2.404 1.931 3.114 . 0 0 "[ . 1 . 2 .]" 3
252 1 24 ILE HA 1 24 ILE MG 2.500 . 3.200 2.195 2.127 2.281 . 0 0 "[ . 1 . 2 .]" 3
253 1 24 ILE HA 1 24 ILE MD 3.000 . 3.800 2.126 2.083 2.166 . 0 0 "[ . 1 . 2 .]" 3
254 1 24 ILE HA 1 24 ILE HG12 4.000 . 5.000 3.164 2.984 3.258 . 0 0 "[ . 1 . 2 .]" 3
255 1 24 ILE MG 1 25 VAL MG2 3.000 . 4.300 3.636 3.437 3.845 . 0 0 "[ . 1 . 2 .]" 3
256 1 24 ILE HB 1 25 VAL MG2 4.000 . 5.500 2.892 2.698 3.068 . 0 0 "[ . 1 . 2 .]" 3
257 1 24 ILE HA 1 27 GLU HB2 4.000 . 5.000 3.177 3.013 3.486 . 0 0 "[ . 1 . 2 .]" 3
258 1 24 ILE MG 1 28 TYR QD 3.000 . 3.800 2.789 2.393 3.327 . 0 0 "[ . 1 . 2 .]" 3
259 1 24 ILE MG 1 28 TYR QE 4.000 . 5.500 4.120 3.640 4.591 . 0 0 "[ . 1 . 2 .]" 3
260 1 24 ILE HA 1 35 VAL MG2 4.000 . 5.500 4.064 3.771 4.331 . 0 0 "[ . 1 . 2 .]" 3
261 1 24 ILE HA 1 35 VAL MG1 2.500 . 3.200 2.429 2.211 2.619 . 0 0 "[ . 1 . 2 .]" 3
262 1 24 ILE MD 1 35 VAL MG1 4.000 . 6.000 2.199 1.977 2.461 . 0 0 "[ . 1 . 2 .]" 3
263 1 24 ILE MG 1 35 VAL MG1 2.500 . 3.700 2.158 1.942 2.376 . 0 0 "[ . 1 . 2 .]" 3
264 1 24 ILE HG12 1 35 VAL MG1 4.000 . 5.500 4.465 4.138 4.735 . 0 0 "[ . 1 . 2 .]" 3
265 1 24 ILE MG 1 35 VAL MG2 3.000 . 4.300 4.058 3.792 4.314 0.014 20 0 "[ . 1 . 2 .]" 3
266 1 24 ILE MD 1 38 ARG QG 4.000 . 6.000 3.494 3.342 3.776 . 0 0 "[ . 1 . 2 .]" 3
267 1 24 ILE HA 1 38 ARG QG 4.000 . 5.500 4.811 4.360 5.088 . 0 0 "[ . 1 . 2 .]" 3
268 1 24 ILE MG 1 38 ARG QG 4.000 . 6.000 5.435 5.110 5.694 . 0 0 "[ . 1 . 2 .]" 3
269 1 24 ILE MD 1 38 ARG HB2 4.000 . 5.500 2.799 2.408 3.266 . 0 0 "[ . 1 . 2 .]" 3
270 1 24 ILE MG 1 39 ILE HG13 3.000 . 3.800 2.910 2.671 3.137 . 0 0 "[ . 1 . 2 .]" 3
271 1 24 ILE MG 1 39 ILE HG12 4.000 . 5.500 2.381 2.137 2.718 . 0 0 "[ . 1 . 2 .]" 3
272 1 24 ILE MD 1 39 ILE HG12 4.000 . 5.500 2.326 2.133 2.622 . 0 0 "[ . 1 . 2 .]" 3
273 1 24 ILE MD 1 39 ILE HA 3.000 . 3.800 2.506 2.155 2.753 . 0 0 "[ . 1 . 2 .]" 3
274 1 24 ILE MG 1 39 ILE MD 3.000 . 4.300 2.849 2.561 3.137 . 0 0 "[ . 1 . 2 .]" 3
275 1 24 ILE MG 1 39 ILE HA 4.000 . 5.500 3.910 3.539 4.190 . 0 0 "[ . 1 . 2 .]" 3
276 1 24 ILE MD 1 42 PHE HB3 4.000 . 5.500 3.938 3.649 4.202 . 0 0 "[ . 1 . 2 .]" 3
277 1 24 ILE MD 1 42 PHE HB2 4.000 . 5.500 3.433 3.086 3.644 . 0 0 "[ . 1 . 2 .]" 3
278 1 24 ILE MD 1 42 PHE QD 4.000 . 5.500 4.449 4.081 4.763 . 0 0 "[ . 1 . 2 .]" 3
279 1 24 ILE MG 1 87 THR MG 2.500 . 3.700 2.652 2.340 2.908 . 0 0 "[ . 1 . 2 .]" 3
280 1 24 ILE HB 1 87 THR MG 4.000 . 5.500 3.447 3.141 3.720 . 0 0 "[ . 1 . 2 .]" 3
281 1 24 ILE MG 1 91 VAL MG2 3.000 . 4.300 2.579 2.340 2.880 . 0 0 "[ . 1 . 2 .]" 3
282 1 24 ILE MD 1 91 VAL MG2 3.000 . 4.300 4.101 3.676 4.314 0.014 17 0 "[ . 1 . 2 .]" 3
283 1 25 VAL MG1 1 26 LEU MD1 4.000 . 6.000 4.918 4.721 5.102 . 0 0 "[ . 1 . 2 .]" 3
284 1 25 VAL MG1 1 26 LEU MD2 3.000 . 4.300 3.717 3.407 4.078 . 0 0 "[ . 1 . 2 .]" 3
285 1 25 VAL MG1 1 26 LEU HG 4.000 . 5.500 3.783 3.591 3.995 . 0 0 "[ . 1 . 2 .]" 3
286 1 25 VAL MG1 1 26 LEU HA 4.000 . 5.500 3.596 3.391 3.810 . 0 0 "[ . 1 . 2 .]" 3
287 1 25 VAL HA 1 28 TYR HB3 4.000 . 5.000 3.039 2.706 3.226 . 0 0 "[ . 1 . 2 .]" 3
288 1 25 VAL HA 1 28 TYR HB2 4.000 . 5.000 2.523 2.185 3.083 . 0 0 "[ . 1 . 2 .]" 3
289 1 25 VAL MG2 1 28 TYR HB3 4.000 . 6.500 4.731 4.438 4.924 . 0 0 "[ . 1 . 2 .]" 3
290 1 25 VAL HB 1 63 LEU MD2 3.000 . 3.800 3.360 2.766 3.739 . 0 0 "[ . 1 . 2 .]" 3
291 1 25 VAL MG1 1 63 LEU MD2 3.000 . 4.300 3.484 3.004 3.943 . 0 0 "[ . 1 . 2 .]" 3
292 1 25 VAL MG2 1 63 LEU MD2 2.500 . 3.700 2.209 2.012 2.554 . 0 0 "[ . 1 . 2 .]" 3
293 1 25 VAL MG2 1 64 MET ME 2.500 . 3.700 2.629 2.195 3.168 . 0 0 "[ . 1 . 2 .]" 3
294 1 25 VAL MG1 1 64 MET ME 2.500 . 3.700 3.090 2.562 3.664 . 0 0 "[ . 1 . 2 .]" 3
295 1 25 VAL HA 1 64 MET ME 4.000 . 6.500 5.460 5.007 6.029 . 0 0 "[ . 1 . 2 .]" 3
296 1 25 VAL MG1 1 67 PHE QE 4.000 . 5.500 3.051 2.256 3.830 . 0 0 "[ . 1 . 2 .]" 3
297 1 25 VAL MG2 1 67 PHE QE 4.000 . 5.500 3.533 2.584 4.901 . 0 0 "[ . 1 . 2 .]" 3
298 1 25 VAL MG1 1 67 PHE HZ 4.000 . 5.500 3.506 2.766 4.370 . 0 0 "[ . 1 . 2 .]" 3
299 1 25 VAL MG2 1 84 TYR QD 4.000 . 5.500 3.569 3.146 3.935 . 0 0 "[ . 1 . 2 .]" 3
300 1 25 VAL MG1 1 84 TYR QD 3.000 . 3.800 2.822 2.349 3.157 . 0 0 "[ . 1 . 2 .]" 3
301 1 25 VAL HA 1 84 TYR QE 4.000 . 5.000 4.874 3.500 5.113 0.113 19 0 "[ . 1 . 2 .]" 3
302 1 25 VAL MG2 1 84 TYR QE 4.000 . 5.500 4.042 3.489 4.520 . 0 0 "[ . 1 . 2 .]" 3
303 1 25 VAL MG1 1 84 TYR QE 3.000 . 3.800 2.343 2.046 2.775 . 0 0 "[ . 1 . 2 .]" 3
304 1 25 VAL MG2 1 87 THR HB 4.000 . 5.500 3.171 2.713 3.688 . 0 0 "[ . 1 . 2 .]" 3
305 1 25 VAL HA 1 87 THR MG 3.000 . 3.800 2.737 2.232 3.277 . 0 0 "[ . 1 . 2 .]" 3
306 1 25 VAL MG1 1 87 THR MG 3.000 . 4.300 3.590 3.233 4.264 . 0 0 "[ . 1 . 2 .]" 3
307 1 25 VAL MG1 1 87 THR HB 4.000 . 6.500 4.359 3.759 5.170 . 0 0 "[ . 1 . 2 .]" 3
308 1 26 LEU HA 1 26 LEU MD2 2.500 . 3.200 2.078 1.960 2.227 . 0 0 "[ . 1 . 2 .]" 3
309 1 26 LEU MD1 1 27 GLU HG2 4.000 . 5.500 5.419 4.162 5.661 0.161 16 0 "[ . 1 . 2 .]" 3
310 1 26 LEU MD1 1 67 PHE QE 4.000 . 5.500 4.111 3.347 4.596 . 0 0 "[ . 1 . 2 .]" 3
311 1 26 LEU MD1 1 67 PHE HZ 4.000 . 5.500 3.577 2.996 4.054 . 0 0 "[ . 1 . 2 .]" 3
312 1 26 LEU HA 1 67 PHE HZ 4.000 . 6.000 5.131 4.292 5.856 . 0 0 "[ . 1 . 2 .]" 3
313 1 26 LEU MD2 1 67 PHE HZ 3.000 . 3.800 3.571 3.243 3.791 . 0 0 "[ . 1 . 2 .]" 3
314 1 26 LEU HG 1 67 PHE HZ 4.000 . 5.000 3.022 2.277 3.544 . 0 0 "[ . 1 . 2 .]" 3
315 1 27 GLU HA 1 27 GLU HG2 3.000 . 3.300 2.463 2.368 3.412 0.112 16 0 "[ . 1 . 2 .]" 3
316 1 27 GLU HA 1 27 GLU HG3 3.000 . 3.300 3.005 2.143 3.596 0.296 14 0 "[ . 1 . 2 .]" 3
317 1 27 GLU HA 1 30 ASN HB3 3.000 . 3.300 2.083 2.043 2.155 . 0 0 "[ . 1 . 2 .]" 3
318 1 27 GLU HA 1 30 ASN HB2 3.000 . 3.300 3.418 3.356 3.510 0.210 20 0 "[ . 1 . 2 .]" 3
319 1 27 GLU HB3 1 33 ALA MB 3.000 . 3.800 2.092 1.952 2.227 . 0 0 "[ . 1 . 2 .]" 3
320 1 27 GLU HB2 1 33 ALA MB 3.000 . 3.800 3.414 3.196 3.510 . 0 0 "[ . 1 . 2 .]" 3
321 1 27 GLU HG3 1 33 ALA MB 3.000 . 3.800 3.777 2.739 3.915 0.115 18 0 "[ . 1 . 2 .]" 3
322 1 27 GLU HA 1 33 ALA MB 3.000 . 3.800 3.489 3.127 3.721 . 0 0 "[ . 1 . 2 .]" 3
323 1 27 GLU HG2 1 33 ALA MB 3.000 . 3.800 2.812 2.437 3.822 0.022 14 0 "[ . 1 . 2 .]" 3
324 1 27 GLU HB2 1 35 VAL MG2 4.000 . 5.500 2.715 2.298 3.097 . 0 0 "[ . 1 . 2 .]" 3
325 1 27 GLU HB2 1 35 VAL MG1 3.000 . 3.800 2.949 2.606 3.157 . 0 0 "[ . 1 . 2 .]" 3
326 1 27 GLU HG3 1 35 VAL MG1 4.000 . 5.500 5.051 4.759 5.559 0.059 16 0 "[ . 1 . 2 .]" 3
327 1 27 GLU HG2 1 35 VAL MG1 4.000 . 5.500 5.434 5.114 5.553 0.053 19 0 "[ . 1 . 2 .]" 3
328 1 28 TYR HA 1 28 TYR QD 3.000 . 3.300 2.139 2.065 2.206 . 0 0 "[ . 1 . 2 .]" 3
329 1 28 TYR HA 1 28 TYR QE 4.000 . 6.000 4.261 4.174 4.339 . 0 0 "[ . 1 . 2 .]" 3
330 1 28 TYR QD 1 35 VAL HB 4.000 . 5.000 4.588 4.285 4.830 . 0 0 "[ . 1 . 2 .]" 3
331 1 28 TYR QD 1 35 VAL MG2 3.000 . 3.800 3.867 3.814 3.918 0.118 25 0 "[ . 1 . 2 .]" 3
332 1 28 TYR QD 1 35 VAL MG1 3.000 . 3.800 2.822 2.348 3.218 . 0 0 "[ . 1 . 2 .]" 3
333 1 28 TYR HB3 1 35 VAL MG1 4.000 . 5.500 4.966 4.554 5.318 . 0 0 "[ . 1 . 2 .]" 3
334 1 28 TYR HB2 1 35 VAL MG1 4.000 . 5.500 3.876 3.446 4.214 . 0 0 "[ . 1 . 2 .]" 3
335 1 28 TYR HA 1 35 VAL MG1 2.500 . 3.200 2.709 2.148 3.124 . 0 0 "[ . 1 . 2 .]" 3
336 1 28 TYR QE 1 35 VAL MG1 4.000 . 5.500 4.230 3.838 4.584 . 0 0 "[ . 1 . 2 .]" 3
337 1 28 TYR HA 1 35 VAL MG2 2.500 . 3.200 2.741 2.569 2.858 . 0 0 "[ . 1 . 2 .]" 3
338 1 28 TYR HA 1 35 VAL HB 4.000 . 5.000 4.495 4.210 4.777 . 0 0 "[ . 1 . 2 .]" 3
339 1 28 TYR QE 1 35 VAL MG2 4.000 . 5.500 5.339 5.213 5.451 . 0 0 "[ . 1 . 2 .]" 3
340 1 28 TYR QE 1 39 ILE MD 3.000 . 3.800 3.499 2.851 3.816 0.016 11 0 "[ . 1 . 2 .]" 3
341 1 28 TYR QD 1 39 ILE MD 4.000 . 5.500 3.437 2.841 3.986 . 0 0 "[ . 1 . 2 .]" 3
342 1 28 TYR QE 1 86 LEU MD1 4.000 . 5.500 4.439 3.891 5.014 . 0 0 "[ . 1 . 2 .]" 3
343 1 28 TYR QE 1 86 LEU HB2 4.000 . 5.000 4.121 3.456 4.671 . 0 0 "[ . 1 . 2 .]" 3
344 1 28 TYR QE 1 86 LEU HB3 4.000 . 5.000 4.123 3.817 4.459 . 0 0 "[ . 1 . 2 .]" 3
345 1 28 TYR QE 1 86 LEU MD2 4.000 . 5.500 5.518 5.373 5.584 0.084 23 0 "[ . 1 . 2 .]" 3
346 1 28 TYR QE 1 87 THR HA 4.000 . 5.000 3.709 3.220 4.153 . 0 0 "[ . 1 . 2 .]" 3
347 1 28 TYR HB2 1 87 THR MG 4.000 . 5.500 3.005 2.584 3.503 . 0 0 "[ . 1 . 2 .]" 3
348 1 28 TYR QE 1 87 THR MG 3.000 . 3.800 3.730 3.466 3.853 0.053 17 0 "[ . 1 . 2 .]" 3
349 1 28 TYR QD 1 87 THR MG 3.000 . 3.800 3.223 2.899 3.434 . 0 0 "[ . 1 . 2 .]" 3
350 1 28 TYR HB3 1 87 THR MG 4.000 . 5.500 3.744 3.070 4.469 . 0 0 "[ . 1 . 2 .]" 3
351 1 28 TYR QE 1 90 ASP QB 4.000 . 5.500 3.635 3.024 4.315 . 0 0 "[ . 1 . 2 .]" 3
352 1 29 PHE HA 1 29 PHE QD 3.000 . 3.300 2.617 2.349 2.904 . 0 0 "[ . 1 . 2 .]" 3
353 1 29 PHE QE 1 86 LEU MD1 4.000 . 5.500 4.555 4.257 4.684 . 0 0 "[ . 1 . 2 .]" 3
354 1 29 PHE HZ 1 86 LEU MD1 3.000 . 3.800 3.810 3.672 3.870 0.070 8 0 "[ . 1 . 2 .]" 3
355 1 30 ASN HA 1 31 THR HA 4.000 . 5.000 4.415 4.331 4.507 . 0 0 "[ . 1 . 2 .]" 3
356 1 30 ASN HA 1 31 THR MG 4.000 . 5.500 3.300 2.925 3.727 . 0 0 "[ . 1 . 2 .]" 3
357 1 30 ASN HA 1 33 ALA MB 4.000 . 5.500 4.197 3.973 4.429 . 0 0 "[ . 1 . 2 .]" 3
358 1 30 ASN HB3 1 33 ALA MB 3.000 . 3.800 2.631 2.275 2.837 . 0 0 "[ . 1 . 2 .]" 3
359 1 30 ASN HB2 1 33 ALA MB 3.000 . 3.800 2.157 2.046 2.348 . 0 0 "[ . 1 . 2 .]" 3
360 1 30 ASN HB2 1 33 ALA HA 4.000 . 5.000 4.659 4.277 4.875 . 0 0 "[ . 1 . 2 .]" 3
361 1 31 THR MG 1 32 ASP HB2 4.000 . 5.500 5.273 5.104 5.474 . 0 0 "[ . 1 . 2 .]" 3
362 1 33 ALA HA 1 34 LYS HG3 4.000 . 5.000 3.496 2.925 4.489 . 0 0 "[ . 1 . 2 .]" 3
363 1 33 ALA MB 1 34 LYS HA 4.000 . 5.500 4.295 3.862 4.820 . 0 0 "[ . 1 . 2 .]" 3
364 1 33 ALA MB 1 35 VAL HB 4.000 . 5.500 4.947 4.431 5.464 . 0 0 "[ . 1 . 2 .]" 3
365 1 33 ALA MB 1 35 VAL HA 4.000 . 5.500 4.141 3.940 4.441 . 0 0 "[ . 1 . 2 .]" 3
366 1 33 ALA MB 1 35 VAL MG1 3.000 . 4.300 4.285 4.036 4.403 0.103 15 0 "[ . 1 . 2 .]" 3
367 1 34 LYS HB3 1 34 LYS QE 3.000 . 3.800 3.318 2.450 3.826 0.026 3 0 "[ . 1 . 2 .]" 3
368 1 34 LYS HA 1 34 LYS QD 3.000 . 3.800 3.799 3.444 4.032 0.232 21 0 "[ . 1 . 2 .]" 3
369 1 34 LYS QD 1 37 GLU QG 4.000 . 6.000 4.127 3.377 5.460 . 0 0 "[ . 1 . 2 .]" 3
370 1 34 LYS HG3 1 37 GLU QG 4.000 . 6.500 5.190 4.368 5.869 . 0 0 "[ . 1 . 2 .]" 3
371 1 34 LYS HG2 1 37 GLU QG 4.000 . 5.500 4.415 2.915 5.495 . 0 0 "[ . 1 . 2 .]" 3
372 1 34 LYS QE 1 37 GLU HA 4.000 . 5.500 5.284 4.820 5.573 0.073 24 0 "[ . 1 . 2 .]" 3
373 1 34 LYS HA 1 37 GLU QG 4.000 . 5.500 4.534 3.916 5.435 . 0 0 "[ . 1 . 2 .]" 3
374 1 35 VAL MG2 1 36 ASN HA 4.000 . 5.500 5.222 5.191 5.256 . 0 0 "[ . 1 . 2 .]" 3
375 1 35 VAL MG2 1 36 ASN HB3 4.000 . 5.500 5.596 5.545 5.635 0.135 4 0 "[ . 1 . 2 .]" 3
376 1 35 VAL MG2 1 36 ASN HB2 4.000 . 5.500 5.220 5.037 5.354 . 0 0 "[ . 1 . 2 .]" 3
377 1 35 VAL HA 1 38 ARG HB3 3.000 . 3.300 3.525 3.468 3.576 0.276 7 0 "[ . 1 . 2 .]" 3
378 1 35 VAL HA 1 38 ARG QG 3.000 . 3.800 2.973 2.607 3.335 . 0 0 "[ . 1 . 2 .]" 3
379 1 35 VAL MG2 1 38 ARG HD2 4.000 . 6.500 6.478 5.949 6.607 0.107 24 0 "[ . 1 . 2 .]" 3
380 1 35 VAL MG1 1 39 ILE HG13 3.000 . 3.800 2.093 1.978 2.311 . 0 0 "[ . 1 . 2 .]" 3
381 1 35 VAL MG1 1 39 ILE MD 3.000 . 4.300 2.122 1.957 2.319 . 0 0 "[ . 1 . 2 .]" 3
382 1 35 VAL MG2 1 39 ILE HG13 4.000 . 5.500 4.568 4.376 4.770 . 0 0 "[ . 1 . 2 .]" 3
383 1 35 VAL MG2 1 39 ILE MD 3.000 . 4.300 3.955 3.729 4.167 . 0 0 "[ . 1 . 2 .]" 3
384 1 36 ASN HA 1 39 ILE HB 3.000 . 3.300 2.437 2.304 2.538 . 0 0 "[ . 1 . 2 .]" 3
385 1 36 ASN HA 1 39 ILE MG 3.000 . 3.800 3.844 3.787 3.907 0.107 24 0 "[ . 1 . 2 .]" 3
386 1 36 ASN HB2 1 39 ILE MD 4.000 . 5.500 4.156 3.939 4.473 . 0 0 "[ . 1 . 2 .]" 3
387 1 36 ASN HA 1 39 ILE MD 3.000 . 3.800 2.673 2.342 3.011 . 0 0 "[ . 1 . 2 .]" 3
388 1 36 ASN HB3 1 39 ILE MD 4.000 . 5.500 5.086 4.864 5.372 . 0 0 "[ . 1 . 2 .]" 3
389 1 37 GLU HA 1 37 GLU QG 2.500 . 3.200 2.622 2.223 2.943 . 0 0 "[ . 1 . 2 .]" 3
390 1 37 GLU HA 1 40 ASP HB3 2.500 . 2.700 2.662 2.480 2.749 0.049 3 0 "[ . 1 . 2 .]" 3
391 1 37 GLU HA 1 40 ASP HB2 3.000 . 3.300 2.887 2.732 3.091 . 0 0 "[ . 1 . 2 .]" 3
392 1 38 ARG HA 1 38 ARG HD3 3.000 . 3.300 2.353 2.119 3.416 0.116 19 0 "[ . 1 . 2 .]" 3
393 1 38 ARG HA 1 38 ARG HD2 3.000 . 3.300 3.480 3.307 3.597 0.297 24 0 "[ . 1 . 2 .]" 3
394 1 38 ARG HA 1 38 ARG QG 3.000 . 3.800 2.603 2.336 2.782 . 0 0 "[ . 1 . 2 .]" 3
395 1 39 ILE HA 1 39 ILE MG 3.000 . 3.800 2.378 2.325 2.446 . 0 0 "[ . 1 . 2 .]" 3
396 1 39 ILE HA 1 39 ILE HG13 4.000 . 5.000 2.865 2.801 2.939 . 0 0 "[ . 1 . 2 .]" 3
397 1 39 ILE HA 1 39 ILE HG12 4.000 . 5.000 2.510 2.460 2.573 . 0 0 "[ . 1 . 2 .]" 3
398 1 39 ILE HA 1 39 ILE MD 3.000 . 3.800 3.801 3.779 3.824 0.024 7 0 "[ . 1 . 2 .]" 3
399 1 39 ILE MG 1 40 ASP HA 4.000 . 5.500 3.493 3.266 3.666 . 0 0 "[ . 1 . 2 .]" 3
400 1 39 ILE MG 1 40 ASP HB3 4.000 . 6.500 5.344 5.164 5.455 . 0 0 "[ . 1 . 2 .]" 3
401 1 39 ILE HA 1 42 PHE HB3 4.000 . 5.000 2.638 2.438 2.897 . 0 0 "[ . 1 . 2 .]" 3
402 1 39 ILE HA 1 42 PHE HB2 4.000 . 5.000 3.226 3.027 3.540 . 0 0 "[ . 1 . 2 .]" 3
403 1 39 ILE MG 1 43 VAL MG2 2.500 . 3.700 1.940 1.803 2.197 . 0 0 "[ . 1 . 2 .]" 3
404 1 39 ILE MG 1 43 VAL MG1 4.000 . 6.000 3.913 3.575 4.205 . 0 0 "[ . 1 . 2 .]" 3
405 1 39 ILE MG 1 91 VAL HA 3.000 . 3.800 3.706 3.362 3.843 0.043 12 0 "[ . 1 . 2 .]" 3
406 1 39 ILE MD 1 91 VAL HA 4.000 . 5.500 4.545 4.136 4.901 . 0 0 "[ . 1 . 2 .]" 3
407 1 39 ILE HG12 1 91 VAL MG2 4.000 . 5.500 3.858 3.437 4.103 . 0 0 "[ . 1 . 2 .]" 3
408 1 39 ILE HG13 1 91 VAL MG2 4.000 . 5.500 5.275 4.915 5.518 0.018 22 0 "[ . 1 . 2 .]" 3
409 1 39 ILE MG 1 91 VAL MG2 3.000 . 4.300 3.911 3.398 4.201 . 0 0 "[ . 1 . 2 .]" 3
410 1 39 ILE MD 1 91 VAL MG1 4.000 . 6.000 5.120 4.669 5.465 . 0 0 "[ . 1 . 2 .]" 3
411 1 39 ILE MG 1 91 VAL MG1 4.000 . 6.000 3.752 3.418 4.042 . 0 0 "[ . 1 . 2 .]" 3
412 1 39 ILE MD 1 91 VAL MG2 3.000 . 4.300 4.114 3.484 4.311 0.011 8 0 "[ . 1 . 2 .]" 3
413 1 39 ILE MG 1 94 HIS QB 3.000 . 4.300 2.670 2.245 3.247 . 0 0 "[ . 1 . 2 .]" 3
414 1 40 ASP HA 1 43 VAL HB 3.000 . 3.300 2.304 2.180 2.479 . 0 0 "[ . 1 . 2 .]" 3
415 1 40 ASP HA 1 43 VAL MG2 3.000 . 3.800 3.339 3.075 3.688 . 0 0 "[ . 1 . 2 .]" 3
416 1 40 ASP HA 1 43 VAL MG1 4.000 . 5.500 3.570 3.434 3.766 . 0 0 "[ . 1 . 2 .]" 3
417 1 40 ASP HB2 1 43 VAL MG2 4.000 . 5.500 5.169 4.946 5.462 . 0 0 "[ . 1 . 2 .]" 3
418 1 41 GLU HA 1 44 SER HB2 3.000 . 3.300 3.075 2.566 3.389 0.089 24 0 "[ . 1 . 2 .]" 3
419 1 41 GLU HG2 1 45 LYS QE 3.000 . 3.800 3.744 2.702 3.887 0.087 25 0 "[ . 1 . 2 .]" 3
420 1 41 GLU HG3 1 45 LYS QE 3.000 . 3.800 3.354 2.835 3.880 0.080 14 0 "[ . 1 . 2 .]" 3
421 1 42 PHE HA 1 42 PHE QD 4.000 . 5.000 2.902 2.779 3.055 . 0 0 "[ . 1 . 2 .]" 3
422 1 42 PHE QD 1 43 VAL MG2 4.000 . 5.500 2.830 2.538 3.102 . 0 0 "[ . 1 . 2 .]" 3
423 1 42 PHE QD 1 43 VAL MG1 4.000 . 5.500 4.740 4.578 4.897 . 0 0 "[ . 1 . 2 .]" 3
424 1 42 PHE HA 1 45 LYS HB3 4.000 . 6.000 4.724 4.531 4.944 . 0 0 "[ . 1 . 2 .]" 3
425 1 42 PHE HZ 1 56 VAL MG2 3.000 . 3.800 2.270 2.072 2.828 . 0 0 "[ . 1 . 2 .]" 3
426 1 42 PHE HZ 1 56 VAL MG1 4.000 . 5.500 2.193 1.982 2.690 . 0 0 "[ . 1 . 2 .]" 3
427 1 42 PHE HZ 1 59 ILE MG 4.000 . 5.500 4.314 3.626 4.724 . 0 0 "[ . 1 . 2 .]" 3
428 1 42 PHE QD 1 91 VAL MG1 4.000 . 5.500 2.753 2.510 3.114 . 0 0 "[ . 1 . 2 .]" 3
429 1 42 PHE QE 1 91 VAL MG1 4.000 . 5.500 2.194 1.929 2.753 . 0 0 "[ . 1 . 2 .]" 3
430 1 42 PHE HZ 1 91 VAL MG1 4.000 . 5.500 3.098 2.735 3.513 . 0 0 "[ . 1 . 2 .]" 3
431 1 43 VAL MG2 1 44 SER HA 4.000 . 5.500 5.396 5.352 5.460 . 0 0 "[ . 1 . 2 .]" 3
432 1 43 VAL HA 1 46 ALA MB 3.000 . 3.800 2.899 2.639 3.115 . 0 0 "[ . 1 . 2 .]" 3
433 1 43 VAL MG2 1 46 ALA MB 4.000 . 6.000 4.261 4.077 4.417 . 0 0 "[ . 1 . 2 .]" 3
434 1 43 VAL MG2 1 91 VAL HA 4.000 . 5.500 4.418 4.035 4.685 . 0 0 "[ . 1 . 2 .]" 3
435 1 43 VAL MG2 1 91 VAL MG1 3.000 . 4.300 3.681 3.319 3.945 . 0 0 "[ . 1 . 2 .]" 3
436 1 43 VAL MG1 1 94 HIS QB 4.000 . 6.000 4.005 3.704 4.481 . 0 0 "[ . 1 . 2 .]" 3
437 1 43 VAL MG2 1 94 HIS QB 3.000 . 4.300 2.460 2.105 2.806 . 0 0 "[ . 1 . 2 .]" 3
438 1 43 VAL MG2 1 94 HIS HA 4.000 . 5.500 4.400 3.949 4.730 . 0 0 "[ . 1 . 2 .]" 3
439 1 43 VAL MG1 1 94 HIS HA 4.000 . 5.500 5.280 4.865 5.517 0.017 24 0 "[ . 1 . 2 .]" 3
440 1 43 VAL HB 1 95 LEU HA 4.000 . 5.000 4.327 4.008 4.783 . 0 0 "[ . 1 . 2 .]" 3
441 1 43 VAL MG2 1 95 LEU HA 3.000 . 3.800 2.306 2.072 2.943 . 0 0 "[ . 1 . 2 .]" 3
442 1 43 VAL MG1 1 98 MET ME 2.500 . 3.700 1.904 1.778 2.009 0.022 13 0 "[ . 1 . 2 .]" 3
443 1 43 VAL MG2 1 98 MET ME 3.000 . 4.300 4.129 3.982 4.294 . 0 0 "[ . 1 . 2 .]" 3
444 1 44 SER HA 1 47 PHE QB 4.000 . 5.500 2.560 2.148 3.145 . 0 0 "[ . 1 . 2 .]" 3
445 1 44 SER HA 1 48 PHE QD 4.000 . 5.000 5.127 5.082 5.189 0.189 3 0 "[ . 1 . 2 .]" 3
446 1 44 SER HB3 1 98 MET ME 3.000 . 3.800 3.951 3.891 3.997 0.197 16 0 "[ . 1 . 2 .]" 3
447 1 45 LYS HA 1 45 LYS HD3 4.000 . 5.000 4.688 4.596 4.733 . 0 0 "[ . 1 . 2 .]" 3
448 1 45 LYS HA 1 45 LYS HD2 4.000 . 5.000 4.034 3.847 4.134 . 0 0 "[ . 1 . 2 .]" 3
449 1 45 LYS HA 1 45 LYS HG2 3.000 . 3.300 2.275 2.201 2.330 . 0 0 "[ . 1 . 2 .]" 3
450 1 45 LYS HA 1 45 LYS HG3 3.000 . 3.300 3.162 3.066 3.276 . 0 0 "[ . 1 . 2 .]" 3
451 1 45 LYS HB2 1 45 LYS QE 4.000 . 5.500 2.093 2.022 2.229 . 0 0 "[ . 1 . 2 .]" 3
452 1 45 LYS HB3 1 45 LYS QE 3.000 . 3.800 2.130 2.049 2.162 . 0 0 "[ . 1 . 2 .]" 3
453 1 45 LYS HA 1 48 PHE QB 3.000 . 3.800 2.292 2.029 3.825 0.025 19 0 "[ . 1 . 2 .]" 3
454 1 46 ALA MB 1 47 PHE HA 4.000 . 5.500 3.812 3.732 3.891 . 0 0 "[ . 1 . 2 .]" 3
455 1 46 ALA HA 1 49 ALA MB 3.000 . 3.800 3.243 2.895 3.571 . 0 0 "[ . 1 . 2 .]" 3
456 1 46 ALA MB 1 49 ALA MB 4.000 . 6.000 4.505 4.247 4.776 . 0 0 "[ . 1 . 2 .]" 3
457 1 46 ALA MB 1 51 ILE MD 3.000 . 4.300 3.019 2.666 3.502 . 0 0 "[ . 1 . 2 .]" 3
458 1 46 ALA HA 1 51 ILE MD 3.000 . 3.800 2.192 2.035 2.676 . 0 0 "[ . 1 . 2 .]" 3
459 1 46 ALA HA 1 51 ILE HG13 4.000 . 5.000 2.175 2.120 2.321 . 0 0 "[ . 1 . 2 .]" 3
460 1 46 ALA MB 1 51 ILE HG13 4.000 . 5.500 3.657 3.394 3.770 . 0 0 "[ . 1 . 2 .]" 3
461 1 46 ALA HA 1 51 ILE HG12 4.000 . 5.000 3.730 3.603 3.926 . 0 0 "[ . 1 . 2 .]" 3
462 1 46 ALA MB 1 51 ILE HG12 4.000 . 5.500 4.817 4.653 4.894 . 0 0 "[ . 1 . 2 .]" 3
463 1 46 ALA MB 1 51 ILE HB 3.000 . 3.800 2.721 2.301 3.018 . 0 0 "[ . 1 . 2 .]" 3
464 1 46 ALA MB 1 51 ILE HA 4.000 . 5.500 5.301 4.993 5.548 0.048 8 0 "[ . 1 . 2 .]" 3
465 1 46 ALA HA 1 51 ILE MG 4.000 . 5.500 3.360 3.052 3.978 . 0 0 "[ . 1 . 2 .]" 3
466 1 46 ALA HA 1 51 ILE HB 4.000 . 5.000 2.563 2.202 3.228 . 0 0 "[ . 1 . 2 .]" 3
467 1 46 ALA MB 1 56 VAL MG2 3.000 . 4.300 3.048 2.766 3.427 . 0 0 "[ . 1 . 2 .]" 3
468 1 46 ALA MB 1 95 LEU MD2 3.000 . 4.300 3.000 2.105 4.154 . 0 0 "[ . 1 . 2 .]" 3
469 1 46 ALA MB 1 95 LEU MD1 2.500 . 3.700 2.663 1.942 3.219 . 0 0 "[ . 1 . 2 .]" 3
470 1 47 PHE HA 1 47 PHE QD 4.000 . 5.000 2.601 2.097 3.209 . 0 0 "[ . 1 . 2 .]" 3
471 1 47 PHE QD 1 48 PHE HA 4.000 . 5.000 3.422 2.373 4.308 . 0 0 "[ . 1 . 2 .]" 3
472 1 47 PHE QD 1 95 LEU MD1 4.000 . 5.500 4.370 3.557 4.875 . 0 0 "[ . 1 . 2 .]" 3
473 1 47 PHE HA 1 95 LEU MD1 3.000 . 3.800 3.800 3.541 3.934 0.134 12 0 "[ . 1 . 2 .]" 3
474 1 47 PHE QB 1 95 LEU MD1 4.000 . 6.000 3.294 2.781 3.754 . 0 0 "[ . 1 . 2 .]" 3
475 1 47 PHE QD 1 98 MET ME 4.000 . 5.500 2.909 2.124 3.505 . 0 0 "[ . 1 . 2 .]" 3
476 1 47 PHE QE 1 98 MET ME 4.000 . 5.500 4.142 3.436 4.548 . 0 0 "[ . 1 . 2 .]" 3
477 1 47 PHE HA 1 98 MET ME 4.000 . 5.500 5.008 4.375 5.511 0.011 22 0 "[ . 1 . 2 .]" 3
478 1 47 PHE QB 1 98 MET ME 4.000 . 6.000 2.589 2.043 3.098 . 0 0 "[ . 1 . 2 .]" 3
479 1 47 PHE QD 1 99 TYR QE 4.000 . 5.000 2.262 2.167 2.514 . 0 0 "[ . 1 . 2 .]" 3
480 1 47 PHE HA 1 99 TYR QE 4.000 . 5.000 3.058 2.676 3.744 . 0 0 "[ . 1 . 2 .]" 3
481 1 48 PHE HA 1 48 PHE QD 3.000 . 3.300 2.887 2.664 3.303 0.003 19 0 "[ . 1 . 2 .]" 3
482 1 48 PHE HA 1 49 ALA MB 4.000 . 5.500 5.011 4.963 5.061 . 0 0 "[ . 1 . 2 .]" 3
483 1 48 PHE QB 1 49 ALA MB 4.000 . 6.000 3.596 3.369 4.581 . 0 0 "[ . 1 . 2 .]" 3
484 1 49 ALA MB 1 51 ILE MD 3.000 . 4.300 2.180 1.957 2.308 . 0 0 "[ . 1 . 2 .]" 3
485 1 49 ALA MB 1 51 ILE HG12 3.000 . 3.800 2.128 2.102 2.223 . 0 0 "[ . 1 . 2 .]" 3
486 1 49 ALA MB 1 51 ILE MG 2.500 . 3.700 3.879 3.752 3.952 0.252 13 0 "[ . 1 . 2 .]" 3
487 1 49 ALA MB 1 51 ILE HG13 3.000 . 3.800 2.116 1.957 2.400 . 0 0 "[ . 1 . 2 .]" 3
488 1 49 ALA MB 1 51 ILE HB 4.000 . 5.500 4.077 3.896 4.302 . 0 0 "[ . 1 . 2 .]" 3
489 1 49 ALA MB 1 51 ILE HA 4.000 . 5.500 4.096 3.960 4.218 . 0 0 "[ . 1 . 2 .]" 3
490 1 50 ASP HA 1 99 TYR QE 4.000 . 6.000 5.515 4.423 6.030 0.030 2 0 "[ . 1 . 2 .]" 3
491 1 51 ILE HA 1 51 ILE MD 2.500 . 3.200 3.418 3.350 3.494 0.294 16 0 "[ . 1 . 2 .]" 3
492 1 51 ILE HA 1 51 ILE MG 2.500 . 3.200 2.340 2.266 2.384 . 0 0 "[ . 1 . 2 .]" 3
493 1 51 ILE HB 1 51 ILE MD 3.000 . 3.800 2.620 2.533 2.691 . 0 0 "[ . 1 . 2 .]" 3
494 1 51 ILE MG 1 52 SER HA 4.000 . 5.500 3.851 3.668 4.049 . 0 0 "[ . 1 . 2 .]" 3
495 1 51 ILE MD 1 55 GLN HB3 4.000 . 5.500 3.812 3.417 4.394 . 0 0 "[ . 1 . 2 .]" 3
496 1 51 ILE MD 1 55 GLN QG 4.000 . 6.000 3.813 3.320 4.470 . 0 0 "[ . 1 . 2 .]" 3
497 1 51 ILE MD 1 55 GLN HB2 4.000 . 5.500 3.838 3.520 4.295 . 0 0 "[ . 1 . 2 .]" 3
498 1 51 ILE MG 1 55 GLN HB2 3.000 . 3.800 2.037 1.942 2.176 . 0 0 "[ . 1 . 2 .]" 3
499 1 51 ILE HB 1 55 GLN HB2 4.000 . 5.000 4.568 4.433 4.736 . 0 0 "[ . 1 . 2 .]" 3
500 1 51 ILE MG 1 55 GLN QG 3.000 . 4.300 2.332 2.061 2.646 . 0 0 "[ . 1 . 2 .]" 3
501 1 51 ILE MG 1 55 GLN HB3 3.000 . 3.800 2.780 2.653 3.001 . 0 0 "[ . 1 . 2 .]" 3
502 1 51 ILE MD 1 56 VAL MG2 2.500 . 3.700 3.802 3.749 3.862 0.162 8 0 "[ . 1 . 2 .]" 3
503 1 51 ILE MG 1 56 VAL MG2 2.500 . 3.700 2.837 2.710 2.991 . 0 0 "[ . 1 . 2 .]" 3
504 1 51 ILE MG 1 95 LEU MD2 4.000 . 6.000 5.078 4.211 5.862 . 0 0 "[ . 1 . 2 .]" 3
505 1 52 SER HA 1 53 VAL MG2 4.000 . 5.500 3.759 3.577 3.887 . 0 0 "[ . 1 . 2 .]" 3
506 1 52 SER HB3 1 55 GLN QG 4.000 . 5.500 2.806 2.260 3.948 . 0 0 "[ . 1 . 2 .]" 3
507 1 52 SER HB2 1 55 GLN QG 4.000 . 5.500 3.612 2.167 4.254 . 0 0 "[ . 1 . 2 .]" 3
508 1 53 VAL MG1 1 54 SER QB 4.000 . 6.000 4.528 4.307 4.918 . 0 0 "[ . 1 . 2 .]" 3
509 1 53 VAL MG1 1 54 SER HA 4.000 . 5.500 3.543 3.371 3.684 . 0 0 "[ . 1 . 2 .]" 3
510 1 53 VAL HA 1 56 VAL MG1 4.000 . 5.500 4.731 4.467 4.905 . 0 0 "[ . 1 . 2 .]" 3
511 1 53 VAL MG1 1 57 LEU HG 3.000 . 3.800 2.796 2.396 2.937 . 0 0 "[ . 1 . 2 .]" 3
512 1 53 VAL MG1 1 57 LEU MD1 2.500 . 3.700 2.529 2.197 2.832 . 0 0 "[ . 1 . 2 .]" 3
513 1 53 VAL MG2 1 92 ILE HA 4.000 . 5.500 4.620 4.362 4.825 . 0 0 "[ . 1 . 2 .]" 3
514 1 53 VAL MG2 1 92 ILE MD 3.000 . 4.300 3.887 3.534 4.193 . 0 0 "[ . 1 . 2 .]" 3
515 1 53 VAL MG2 1 92 ILE HB 4.000 . 5.500 3.458 3.035 5.137 . 0 0 "[ . 1 . 2 .]" 3
516 1 53 VAL MG1 1 92 ILE MG 3.000 . 4.300 2.282 1.953 2.492 . 0 0 "[ . 1 . 2 .]" 3
517 1 53 VAL MG2 1 92 ILE MG 2.500 . 3.700 3.633 2.257 3.788 0.088 17 0 "[ . 1 . 2 .]" 3
518 1 53 VAL HA 1 92 ILE MG 4.000 . 5.500 3.612 3.343 3.838 . 0 0 "[ . 1 . 2 .]" 3
519 1 53 VAL HB 1 92 ILE MD 4.000 . 5.500 5.014 4.571 5.378 . 0 0 "[ . 1 . 2 .]" 3
520 1 53 VAL MG1 1 92 ILE MD 3.000 . 4.300 2.502 2.133 2.828 . 0 0 "[ . 1 . 2 .]" 3
521 1 53 VAL MG2 1 95 LEU MD2 3.000 . 4.300 3.225 2.986 3.500 . 0 0 "[ . 1 . 2 .]" 3
522 1 53 VAL MG2 1 99 TYR QD 4.000 . 5.500 4.783 4.528 5.064 . 0 0 "[ . 1 . 2 .]" 3
523 1 53 VAL MG2 1 99 TYR QE 3.000 . 3.800 3.644 3.381 3.868 0.068 8 0 "[ . 1 . 2 .]" 3
524 1 54 SER HA 1 55 GLN QG 4.000 . 5.500 5.255 5.186 5.316 . 0 0 "[ . 1 . 2 .]" 3
525 1 54 SER HA 1 55 GLN HA 4.000 . 5.000 4.821 4.792 4.836 . 0 0 "[ . 1 . 2 .]" 3
526 1 54 SER QB 1 57 LEU HG 4.000 . 5.500 4.083 3.981 4.225 . 0 0 "[ . 1 . 2 .]" 3
527 1 54 SER QB 1 57 LEU MD1 2.500 . 3.700 3.499 3.250 3.732 0.032 21 0 "[ . 1 . 2 .]" 3
528 1 54 SER HA 1 57 LEU MD1 3.000 . 3.800 2.340 2.155 2.558 . 0 0 "[ . 1 . 2 .]" 3
529 1 54 SER QB 1 57 LEU HB2 3.000 . 3.800 3.827 3.741 3.878 0.078 23 0 "[ . 1 . 2 .]" 3
530 1 54 SER HA 1 57 LEU HB3 4.000 . 5.000 3.993 3.918 4.070 . 0 0 "[ . 1 . 2 .]" 3
531 1 54 SER HA 1 57 LEU HB2 4.000 . 5.000 2.695 2.610 2.765 . 0 0 "[ . 1 . 2 .]" 3
532 1 55 GLN HA 1 55 GLN QG 2.500 . 3.200 2.824 2.714 2.946 . 0 0 "[ . 1 . 2 .]" 3
533 1 55 GLN HB2 1 56 VAL MG2 4.000 . 5.500 3.264 3.025 3.560 . 0 0 "[ . 1 . 2 .]" 3
534 1 56 VAL HA 1 56 VAL MG1 2.500 . 3.200 2.344 2.254 2.428 . 0 0 "[ . 1 . 2 .]" 3
535 1 56 VAL HA 1 56 VAL MG2 2.500 . 3.200 2.261 2.151 2.409 . 0 0 "[ . 1 . 2 .]" 3
536 1 56 VAL MG1 1 57 LEU HG 4.000 . 5.500 4.506 4.292 4.700 . 0 0 "[ . 1 . 2 .]" 3
537 1 56 VAL MG1 1 57 LEU HA 4.000 . 5.500 3.592 3.412 3.859 . 0 0 "[ . 1 . 2 .]" 3
538 1 56 VAL HA 1 59 ILE HG13 4.000 . 5.000 3.168 2.189 3.658 . 0 0 "[ . 1 . 2 .]" 3
539 1 56 VAL HA 1 59 ILE MG 4.000 . 5.500 4.016 3.701 4.295 . 0 0 "[ . 1 . 2 .]" 3
540 1 56 VAL HA 1 59 ILE MD 3.000 . 3.800 2.531 2.215 3.873 0.073 2 0 "[ . 1 . 2 .]" 3
541 1 56 VAL HA 1 59 ILE HB 3.000 . 3.300 2.612 2.320 2.893 . 0 0 "[ . 1 . 2 .]" 3
542 1 56 VAL HA 1 59 ILE HG12 4.000 . 5.000 4.532 3.283 4.957 . 0 0 "[ . 1 . 2 .]" 3
543 1 56 VAL MG1 1 88 LEU MD1 4.000 . 6.000 3.742 2.937 4.422 . 0 0 "[ . 1 . 2 .]" 3
544 1 56 VAL HB 1 92 ILE MG 4.000 . 5.500 2.698 2.343 4.550 . 0 0 "[ . 1 . 2 .]" 3
545 1 56 VAL MG1 1 92 ILE MG 3.000 . 4.300 2.282 1.906 4.208 . 0 0 "[ . 1 . 2 .]" 3
546 1 56 VAL MG2 1 92 ILE MG 3.000 . 4.300 3.059 2.393 4.335 0.035 23 0 "[ . 1 . 2 .]" 3
547 1 56 VAL HB 1 95 LEU MD2 4.000 . 5.500 4.603 4.193 5.054 . 0 0 "[ . 1 . 2 .]" 3
548 1 57 LEU HA 1 57 LEU MD2 2.500 . 3.200 1.921 1.911 1.940 . 0 0 "[ . 1 . 2 .]" 3
549 1 57 LEU HA 1 57 LEU HG 3.000 . 3.300 3.332 3.288 3.379 0.079 4 0 "[ . 1 . 2 .]" 3
550 1 57 LEU HA 1 60 HIS HB3 3.000 . 3.300 2.710 2.380 2.999 . 0 0 "[ . 1 . 2 .]" 3
551 1 57 LEU MD2 1 60 HIS HB3 4.000 . 5.500 3.877 3.578 4.116 . 0 0 "[ . 1 . 2 .]" 3
552 1 57 LEU HA 1 60 HIS HB2 4.000 . 5.000 3.188 2.930 3.411 . 0 0 "[ . 1 . 2 .]" 3
553 1 57 LEU MD2 1 60 HIS HB2 4.000 . 6.500 3.959 3.739 4.188 . 0 0 "[ . 1 . 2 .]" 3
554 1 57 LEU MD2 1 60 HIS HD2 4.000 . 5.500 4.843 4.529 5.397 . 0 0 "[ . 1 . 2 .]" 3
555 1 57 LEU HA 1 61 VAL MG2 4.000 . 5.500 3.851 3.670 4.043 . 0 0 "[ . 1 . 2 .]" 3
556 1 57 LEU HG 1 88 LEU MD2 4.000 . 5.500 4.610 4.215 5.356 . 0 0 "[ . 1 . 2 .]" 3
557 1 57 LEU MD2 1 88 LEU MD1 2.500 . 3.700 2.216 2.076 2.446 . 0 0 "[ . 1 . 2 .]" 3
558 1 57 LEU HA 1 88 LEU MD1 3.000 . 3.800 3.008 2.544 3.642 . 0 0 "[ . 1 . 2 .]" 3
559 1 57 LEU HG 1 88 LEU MD1 4.000 . 5.500 4.783 4.558 5.027 . 0 0 "[ . 1 . 2 .]" 3
560 1 57 LEU HA 1 88 LEU MD2 3.000 . 3.800 2.965 2.722 3.373 . 0 0 "[ . 1 . 2 .]" 3
561 1 57 LEU HB3 1 88 LEU MD1 4.000 . 5.500 4.114 3.619 4.767 . 0 0 "[ . 1 . 2 .]" 3
562 1 58 GLU HA 1 58 GLU HG2 3.000 . 3.300 2.470 2.272 3.000 . 0 0 "[ . 1 . 2 .]" 3
563 1 58 GLU HA 1 58 GLU HG3 3.000 . 3.300 3.090 2.928 3.586 0.286 15 0 "[ . 1 . 2 .]" 3
564 1 58 GLU HA 1 61 VAL HB 3.000 . 3.300 2.647 2.510 2.754 . 0 0 "[ . 1 . 2 .]" 3
565 1 58 GLU HA 1 61 VAL MG2 2.500 . 3.200 2.166 2.135 2.307 . 0 0 "[ . 1 . 2 .]" 3
566 1 58 GLU HA 1 61 VAL MG1 3.000 . 3.800 3.917 3.866 3.957 0.157 13 0 "[ . 1 . 2 .]" 3
567 1 59 ILE HA 1 59 ILE MG 2.500 . 3.200 2.373 2.272 2.434 . 0 0 "[ . 1 . 2 .]" 3
568 1 59 ILE HA 1 59 ILE HG12 3.000 . 3.300 2.504 2.412 2.632 . 0 0 "[ . 1 . 2 .]" 3
569 1 59 ILE HA 1 59 ILE MD 3.000 . 3.800 3.749 2.543 3.823 0.023 5 0 "[ . 1 . 2 .]" 3
570 1 59 ILE HA 1 62 GLU HB3 3.000 . 3.300 2.629 2.494 2.682 . 0 0 "[ . 1 . 2 .]" 3
571 1 59 ILE HA 1 62 GLU HB2 3.000 . 3.300 3.333 3.247 3.376 0.076 17 0 "[ . 1 . 2 .]" 3
572 1 59 ILE HA 1 62 GLU HG2 4.000 . 5.000 5.001 4.820 5.042 0.042 20 0 "[ . 1 . 2 .]" 3
573 1 59 ILE HA 1 62 GLU HG3 4.000 . 6.000 5.286 5.219 5.346 . 0 0 "[ . 1 . 2 .]" 3
574 1 60 HIS HB3 1 60 HIS HD2 4.000 . 5.000 2.758 2.740 2.788 . 0 0 "[ . 1 . 2 .]" 3
575 1 60 HIS HB2 1 60 HIS HD2 4.000 . 5.000 3.786 3.709 3.854 . 0 0 "[ . 1 . 2 .]" 3
576 1 60 HIS HB2 1 61 VAL MG2 4.000 . 5.500 4.443 4.341 4.563 . 0 0 "[ . 1 . 2 .]" 3
577 1 60 HIS HD2 1 61 VAL HA 4.000 . 5.000 3.707 3.112 4.092 . 0 0 "[ . 1 . 2 .]" 3
578 1 60 HIS HD2 1 61 VAL MG2 3.000 . 3.800 3.205 2.505 3.522 . 0 0 "[ . 1 . 2 .]" 3
579 1 60 HIS HD2 1 61 VAL MG1 4.000 . 5.500 5.049 4.460 5.372 . 0 0 "[ . 1 . 2 .]" 3
580 1 60 HIS HA 1 63 LEU QB 3.000 . 3.800 2.455 2.253 2.732 . 0 0 "[ . 1 . 2 .]" 3
581 1 60 HIS HA 1 64 MET ME 4.000 . 5.500 3.276 2.875 3.941 . 0 0 "[ . 1 . 2 .]" 3
582 1 60 HIS HE1 1 64 MET ME 3.000 . 3.800 2.329 2.126 2.745 . 0 0 "[ . 1 . 2 .]" 3
583 1 60 HIS HE1 1 84 TYR HB3 4.000 . 5.000 2.573 2.215 2.938 . 0 0 "[ . 1 . 2 .]" 3
584 1 60 HIS HE1 1 87 THR HB 4.000 . 6.000 3.990 2.561 4.782 . 0 0 "[ . 1 . 2 .]" 3
585 1 60 HIS HB3 1 88 LEU MD1 4.000 . 5.500 3.107 2.144 4.413 . 0 0 "[ . 1 . 2 .]" 3
586 1 60 HIS HB3 1 88 LEU MD2 3.000 . 3.800 3.627 3.141 3.929 0.129 13 0 "[ . 1 . 2 .]" 3
587 1 60 HIS HB2 1 88 LEU MD2 3.000 . 3.800 2.755 1.999 3.433 . 0 0 "[ . 1 . 2 .]" 3
588 1 60 HIS HB2 1 88 LEU MD1 4.000 . 5.500 3.198 2.440 4.033 . 0 0 "[ . 1 . 2 .]" 3
589 1 60 HIS HD2 1 88 LEU MD1 4.000 . 5.500 3.125 2.009 4.526 . 0 0 "[ . 1 . 2 .]" 3
590 1 60 HIS HA 1 88 LEU MD2 4.000 . 5.500 4.569 3.527 5.424 . 0 0 "[ . 1 . 2 .]" 3
591 1 61 VAL HA 1 61 VAL MG1 2.500 . 3.200 2.352 2.232 2.416 . 0 0 "[ . 1 . 2 .]" 3
592 1 61 VAL HA 1 61 VAL MG2 2.500 . 3.200 2.397 2.350 2.430 . 0 0 "[ . 1 . 2 .]" 3
593 1 61 VAL MG1 1 62 GLU HB3 4.000 . 5.500 5.271 5.215 5.376 . 0 0 "[ . 1 . 2 .]" 3
594 1 61 VAL MG2 1 62 GLU HB3 4.000 . 5.500 5.680 5.664 5.700 0.200 24 0 "[ . 1 . 2 .]" 3
595 1 61 VAL MG1 1 62 GLU HG2 4.000 . 6.500 5.998 5.923 6.059 . 0 0 "[ . 1 . 2 .]" 3
596 1 61 VAL MG1 1 62 GLU HG3 4.000 . 6.500 5.379 5.229 5.507 . 0 0 "[ . 1 . 2 .]" 3
597 1 61 VAL MG1 1 62 GLU HA 3.000 . 3.800 3.609 3.553 3.711 . 0 0 "[ . 1 . 2 .]" 3
598 1 61 VAL HA 1 64 MET HB2 4.000 . 5.000 2.863 2.613 3.111 . 0 0 "[ . 1 . 2 .]" 3
599 1 61 VAL HA 1 64 MET ME 4.000 . 5.500 5.345 4.809 5.519 0.019 7 0 "[ . 1 . 2 .]" 3
600 1 61 VAL MG1 1 65 ASP HB2 3.000 . 3.800 3.492 3.209 3.743 . 0 0 "[ . 1 . 2 .]" 3
601 1 61 VAL MG1 1 65 ASP HB3 4.000 . 5.500 4.750 4.489 4.917 . 0 0 "[ . 1 . 2 .]" 3
602 1 62 GLU HA 1 62 GLU HG3 2.500 . 2.700 2.484 2.444 2.516 . 0 0 "[ . 1 . 2 .]" 3
603 1 62 GLU HA 1 62 GLU HG2 2.500 . 2.700 2.805 2.760 2.836 0.136 23 0 "[ . 1 . 2 .]" 3
604 1 62 GLU HA 1 65 ASP HB2 3.000 . 3.300 2.919 2.804 3.084 . 0 0 "[ . 1 . 2 .]" 3
605 1 62 GLU HA 1 65 ASP HB3 2.500 . 2.700 2.739 2.699 2.797 0.097 23 0 "[ . 1 . 2 .]" 3
606 1 63 LEU HA 1 63 LEU HG 4.000 . 5.000 2.742 2.497 3.093 . 0 0 "[ . 1 . 2 .]" 3
607 1 63 LEU HG 1 64 MET ME 3.000 . 3.800 2.669 2.154 3.208 . 0 0 "[ . 1 . 2 .]" 3
608 1 63 LEU MD2 1 64 MET ME 2.500 . 3.700 2.180 1.931 2.491 . 0 0 "[ . 1 . 2 .]" 3
609 1 63 LEU HA 1 64 MET ME 4.000 . 5.500 4.313 3.815 4.638 . 0 0 "[ . 1 . 2 .]" 3
610 1 63 LEU MD1 1 64 MET ME 3.000 . 4.300 3.904 3.544 4.227 . 0 0 "[ . 1 . 2 .]" 3
611 1 63 LEU HA 1 66 THR HB 2.500 . 2.700 2.592 2.472 2.704 0.004 25 0 "[ . 1 . 2 .]" 3
612 1 63 LEU MD1 1 66 THR HB 3.000 . 3.800 3.041 2.454 3.553 . 0 0 "[ . 1 . 2 .]" 3
613 1 63 LEU MD1 1 66 THR MG 3.000 . 4.300 3.356 3.088 3.759 . 0 0 "[ . 1 . 2 .]" 3
614 1 63 LEU HA 1 66 THR MG 3.000 . 3.800 3.921 3.896 3.959 0.159 12 0 "[ . 1 . 2 .]" 3
615 1 63 LEU MD2 1 66 THR MG 4.000 . 6.000 5.341 5.184 5.471 . 0 0 "[ . 1 . 2 .]" 3
616 1 63 LEU MD1 1 67 PHE QD 4.000 . 5.500 3.335 2.655 3.740 . 0 0 "[ . 1 . 2 .]" 3
617 1 63 LEU MD2 1 67 PHE QD 4.000 . 5.500 3.465 2.951 3.978 . 0 0 "[ . 1 . 2 .]" 3
618 1 63 LEU MD1 1 67 PHE QE 3.000 . 3.800 2.354 1.927 2.856 . 0 0 "[ . 1 . 2 .]" 3
619 1 63 LEU MD1 1 67 PHE HZ 4.000 . 5.500 3.662 2.828 4.090 . 0 0 "[ . 1 . 2 .]" 3
620 1 64 MET HB3 1 64 MET ME 4.000 . 5.500 3.812 3.586 3.996 . 0 0 "[ . 1 . 2 .]" 3
621 1 64 MET HA 1 64 MET ME 2.500 . 3.200 2.445 2.067 2.948 . 0 0 "[ . 1 . 2 .]" 3
622 1 64 MET HA 1 64 MET HG3 4.000 . 5.000 3.674 3.650 3.724 . 0 0 "[ . 1 . 2 .]" 3
623 1 64 MET ME 1 64 MET HG3 3.000 . 3.800 3.110 2.998 3.238 . 0 0 "[ . 1 . 2 .]" 3
624 1 64 MET ME 1 64 MET HG2 3.000 . 3.800 2.108 2.067 2.159 . 0 0 "[ . 1 . 2 .]" 3
625 1 64 MET HA 1 64 MET HG2 3.000 . 3.300 3.008 2.815 3.191 . 0 0 "[ . 1 . 2 .]" 3
626 1 64 MET ME 1 67 PHE QE 4.000 . 5.500 3.655 2.832 4.432 . 0 0 "[ . 1 . 2 .]" 3
627 1 64 MET ME 1 67 PHE QD 3.000 . 3.800 2.963 2.152 3.729 . 0 0 "[ . 1 . 2 .]" 3
628 1 64 MET HA 1 67 PHE QD 4.000 . 5.000 3.220 2.351 4.233 . 0 0 "[ . 1 . 2 .]" 3
629 1 64 MET HA 1 67 PHE HB2 3.000 . 3.300 2.663 2.341 2.896 . 0 0 "[ . 1 . 2 .]" 3
630 1 64 MET HA 1 67 PHE HB3 4.000 . 5.000 4.263 3.836 4.546 . 0 0 "[ . 1 . 2 .]" 3
631 1 64 MET ME 1 81 LEU MD1 3.000 . 4.300 3.004 1.957 3.594 . 0 0 "[ . 1 . 2 .]" 3
632 1 64 MET HA 1 81 LEU MD2 4.000 . 5.500 3.471 2.627 4.305 . 0 0 "[ . 1 . 2 .]" 3
633 1 64 MET HA 1 81 LEU MD1 4.000 . 5.500 2.248 2.067 2.521 . 0 0 "[ . 1 . 2 .]" 3
634 1 64 MET ME 1 84 TYR QD 3.000 . 3.800 2.242 2.020 2.865 . 0 0 "[ . 1 . 2 .]" 3
635 1 64 MET ME 1 84 TYR HA 4.000 . 5.500 4.659 4.059 5.520 0.020 1 0 "[ . 1 . 2 .]" 3
636 1 64 MET ME 1 84 TYR HB3 4.000 . 5.500 2.614 2.145 3.400 . 0 0 "[ . 1 . 2 .]" 3
637 1 64 MET ME 1 84 TYR QE 4.000 . 5.500 3.739 3.311 4.171 . 0 0 "[ . 1 . 2 .]" 3
638 1 64 MET ME 1 84 TYR HB2 4.000 . 5.500 3.384 2.582 3.981 . 0 0 "[ . 1 . 2 .]" 3
639 1 64 MET ME 1 87 THR MG 4.000 . 6.000 4.420 3.742 5.260 . 0 0 "[ . 1 . 2 .]" 3
640 1 65 ASP HB2 1 66 THR HA 4.000 . 6.000 5.520 5.489 5.540 . 0 0 "[ . 1 . 2 .]" 3
641 1 65 ASP HB3 1 66 THR MG 4.000 . 5.500 5.235 5.171 5.332 . 0 0 "[ . 1 . 2 .]" 3
642 1 65 ASP HB3 1 68 SER QB 4.000 . 5.500 5.134 4.846 5.501 0.001 7 0 "[ . 1 . 2 .]" 3
643 1 65 ASP HA 1 68 SER QB 2.500 . 3.200 2.803 2.385 3.114 . 0 0 "[ . 1 . 2 .]" 3
644 1 66 THR HA 1 66 THR MG 2.500 . 3.200 2.397 2.244 2.577 . 0 0 "[ . 1 . 2 .]" 3
645 1 66 THR MG 1 67 PHE QD 4.000 . 5.500 3.741 2.272 4.519 . 0 0 "[ . 1 . 2 .]" 3
646 1 66 THR MG 1 67 PHE HA 3.000 . 3.800 3.421 2.945 3.725 . 0 0 "[ . 1 . 2 .]" 3
647 1 66 THR MG 1 69 LYS QB 4.000 . 6.000 3.762 3.438 4.041 . 0 0 "[ . 1 . 2 .]" 3
648 1 66 THR HA 1 69 LYS QB 3.000 . 3.800 3.262 2.979 3.662 . 0 0 "[ . 1 . 2 .]" 3
649 1 66 THR HA 1 69 LYS QD 4.000 . 5.500 4.005 2.567 5.259 . 0 0 "[ . 1 . 2 .]" 3
650 1 66 THR HA 1 69 LYS QE 4.000 . 5.500 4.401 2.302 5.495 . 0 0 "[ . 1 . 2 .]" 3
651 1 66 THR MG 1 69 LYS QD 4.000 . 6.000 4.904 3.695 6.059 0.059 12 0 "[ . 1 . 2 .]" 3
652 1 66 THR MG 1 70 GLN HG3 4.000 . 5.500 4.473 2.989 5.582 0.082 20 0 "[ . 1 . 2 .]" 3
653 1 66 THR MG 1 70 GLN QB 4.000 . 6.000 3.872 3.177 4.805 . 0 0 "[ . 1 . 2 .]" 3
654 1 67 PHE HA 1 67 PHE QD 3.000 . 3.300 2.559 2.152 3.010 . 0 0 "[ . 1 . 2 .]" 3
655 1 67 PHE HA 1 70 GLN QB 3.000 . 3.800 2.208 1.997 2.467 . 0 0 "[ . 1 . 2 .]" 3
656 1 67 PHE HA 1 70 GLN HG2 4.000 . 5.000 4.536 3.786 5.019 0.019 23 0 "[ . 1 . 2 .]" 3
657 1 67 PHE HA 1 70 GLN HG3 4.000 . 5.000 4.058 2.536 4.903 . 0 0 "[ . 1 . 2 .]" 3
658 1 67 PHE HB3 1 71 LEU MD2 4.000 . 5.500 2.398 2.172 2.871 . 0 0 "[ . 1 . 2 .]" 3
659 1 67 PHE HB2 1 71 LEU MD2 4.000 . 5.500 3.661 3.388 4.005 . 0 0 "[ . 1 . 2 .]" 3
660 1 67 PHE QD 1 81 LEU MD1 3.000 . 3.800 3.060 2.281 3.490 . 0 0 "[ . 1 . 2 .]" 3
661 1 67 PHE HB3 1 81 LEU MD2 4.000 . 5.500 3.175 2.147 3.986 . 0 0 "[ . 1 . 2 .]" 3
662 1 67 PHE HB2 1 81 LEU MD2 3.000 . 3.800 3.051 2.132 3.803 0.003 11 0 "[ . 1 . 2 .]" 3
663 1 67 PHE HA 1 81 LEU MD1 4.000 . 5.500 4.120 3.714 4.476 . 0 0 "[ . 1 . 2 .]" 3
664 1 67 PHE HB2 1 81 LEU MD1 3.000 . 3.800 2.033 1.912 2.220 . 0 0 "[ . 1 . 2 .]" 3
665 1 67 PHE HB3 1 81 LEU MD1 3.000 . 3.800 2.133 1.930 2.436 . 0 0 "[ . 1 . 2 .]" 3
666 1 68 SER QB 1 69 LYS HG2 4.000 . 5.500 3.841 2.924 5.027 . 0 0 "[ . 1 . 2 .]" 3
667 1 68 SER HA 1 71 LEU MD2 3.000 . 3.800 2.622 2.311 3.035 . 0 0 "[ . 1 . 2 .]" 3
668 1 68 SER HA 1 71 LEU MD1 4.000 . 5.500 5.191 4.730 5.439 . 0 0 "[ . 1 . 2 .]" 3
669 1 68 SER HA 1 71 LEU HB2 3.000 . 3.300 3.134 2.727 3.327 0.027 8 0 "[ . 1 . 2 .]" 3
670 1 68 SER HA 1 71 LEU HB3 4.000 . 5.000 4.808 4.377 4.996 . 0 0 "[ . 1 . 2 .]" 3
671 1 68 SER HA 1 71 LEU HG 4.000 . 5.000 4.699 4.411 5.065 0.065 4 0 "[ . 1 . 2 .]" 3
672 1 68 SER HA 1 78 GLU QG 3.000 . 3.800 3.541 2.987 3.899 0.099 24 0 "[ . 1 . 2 .]" 3
673 1 68 SER QB 1 81 LEU MD2 2.500 . 3.700 2.623 2.110 3.453 . 0 0 "[ . 1 . 2 .]" 3
674 1 68 SER QB 1 81 LEU MD1 4.000 . 6.000 4.139 3.166 5.111 . 0 0 "[ . 1 . 2 .]" 3
675 1 70 GLN HA 1 70 GLN HG2 3.000 . 3.300 2.685 2.245 3.534 0.234 20 0 "[ . 1 . 2 .]" 3
676 1 70 GLN HA 1 70 GLN HG3 3.000 . 3.300 2.619 2.343 3.039 . 0 0 "[ . 1 . 2 .]" 3
677 1 70 GLN HG2 1 71 LEU MD1 4.000 . 5.500 4.497 3.330 5.614 0.114 24 0 "[ . 1 . 2 .]" 3
678 1 71 LEU HA 1 71 LEU MD2 3.000 . 3.800 3.051 2.688 3.362 . 0 0 "[ . 1 . 2 .]" 3
679 1 71 LEU HA 1 71 LEU MD1 2.500 . 3.200 1.901 1.863 1.929 . 0 0 "[ . 1 . 2 .]" 3
680 1 71 LEU HA 1 74 GLU HB2 4.000 . 5.000 2.272 2.143 2.699 . 0 0 "[ . 1 . 2 .]" 3
681 1 71 LEU MD1 1 74 GLU HG3 4.000 . 5.500 3.142 2.856 3.689 . 0 0 "[ . 1 . 2 .]" 3
682 1 71 LEU MD1 1 74 GLU HG2 4.000 . 5.500 3.110 2.884 3.483 . 0 0 "[ . 1 . 2 .]" 3
683 1 71 LEU HB2 1 74 GLU HG2 4.000 . 5.000 5.101 5.063 5.161 0.161 3 0 "[ . 1 . 2 .]" 3
684 1 71 LEU MD1 1 76 ARG HB3 3.000 . 3.800 3.394 2.726 3.808 0.008 25 0 "[ . 1 . 2 .]" 3
685 1 71 LEU HB3 1 76 ARG HB2 4.000 . 5.000 3.632 2.642 4.693 . 0 0 "[ . 1 . 2 .]" 3
686 1 71 LEU HA 1 76 ARG HB2 4.000 . 5.000 3.646 2.795 4.414 . 0 0 "[ . 1 . 2 .]" 3
687 1 71 LEU MD1 1 76 ARG HB2 3.000 . 3.800 2.240 2.087 2.600 . 0 0 "[ . 1 . 2 .]" 3
688 1 71 LEU MD1 1 76 ARG QG 2.500 . 3.700 3.167 1.972 3.783 0.083 12 0 "[ . 1 . 2 .]" 3
689 1 71 LEU HA 1 76 ARG QD 4.000 . 5.500 4.916 3.673 5.527 0.027 5 0 "[ . 1 . 2 .]" 3
690 1 71 LEU MD1 1 76 ARG HA 4.000 . 5.500 4.794 4.370 5.284 . 0 0 "[ . 1 . 2 .]" 3
691 1 71 LEU MD1 1 76 ARG QD 2.500 . 3.700 3.272 2.030 3.807 0.107 14 0 "[ . 1 . 2 .]" 3
692 1 71 LEU MD2 1 78 GLU HB3 4.000 . 5.500 4.492 4.126 4.974 . 0 0 "[ . 1 . 2 .]" 3
693 1 71 LEU MD2 1 78 GLU HA 2.500 . 3.200 3.313 3.194 3.386 0.186 5 0 "[ . 1 . 2 .]" 3
694 1 71 LEU MD2 1 78 GLU QG 3.000 . 4.300 3.356 2.815 3.949 . 0 0 "[ . 1 . 2 .]" 3
695 1 71 LEU MD1 1 78 GLU HA 3.000 . 3.800 3.807 3.643 3.871 0.071 25 0 "[ . 1 . 2 .]" 3
696 1 71 LEU HG 1 78 GLU QG 4.000 . 5.500 3.181 2.900 3.788 . 0 0 "[ . 1 . 2 .]" 3
697 1 71 LEU HB2 1 78 GLU QG 4.000 . 5.500 2.659 2.152 3.401 . 0 0 "[ . 1 . 2 .]" 3
698 1 71 LEU MD1 1 78 GLU QG 4.000 . 6.000 4.331 3.992 4.884 . 0 0 "[ . 1 . 2 .]" 3
699 1 71 LEU MD1 1 80 ILE HG13 4.000 . 5.500 5.226 4.803 5.500 0.000 25 0 "[ . 1 . 2 .]" 3
700 1 71 LEU MD2 1 80 ILE HG13 4.000 . 5.500 5.519 5.336 5.615 0.115 16 0 "[ . 1 . 2 .]" 3
701 1 71 LEU MD1 1 80 ILE MD 3.000 . 4.300 3.201 2.742 3.630 . 0 0 "[ . 1 . 2 .]" 3
702 1 71 LEU MD1 1 80 ILE MG 3.000 . 4.300 2.187 1.880 2.574 . 0 0 "[ . 1 . 2 .]" 3
703 1 71 LEU HG 1 80 ILE MG 3.000 . 3.800 2.697 2.449 3.054 . 0 0 "[ . 1 . 2 .]" 3
704 1 71 LEU MD2 1 80 ILE MG 2.500 . 3.700 2.975 2.553 3.457 . 0 0 "[ . 1 . 2 .]" 3
705 1 72 LYS HA 1 72 LYS QD 3.000 . 3.800 3.609 2.266 3.982 0.182 5 0 "[ . 1 . 2 .]" 3
706 1 72 LYS HA 1 72 LYS HG3 3.000 . 3.300 3.159 2.663 3.494 0.194 15 0 "[ . 1 . 2 .]" 3
707 1 72 LYS HA 1 72 LYS HG2 2.500 . 2.700 2.273 2.160 2.392 . 0 0 "[ . 1 . 2 .]" 3
708 1 72 LYS HA 1 72 LYS QE 4.000 . 5.500 4.135 2.713 5.028 . 0 0 "[ . 1 . 2 .]" 3
709 1 72 LYS QE 1 78 GLU QG 4.000 . 6.000 4.804 3.672 5.837 . 0 0 "[ . 1 . 2 .]" 3
710 1 73 LEU HA 1 73 LEU MD2 2.500 . 3.200 2.232 2.140 2.885 . 0 0 "[ . 1 . 2 .]" 3
711 1 73 LEU HA 1 73 LEU HG 3.000 . 3.300 2.869 2.514 3.101 . 0 0 "[ . 1 . 2 .]" 3
712 1 73 LEU HA 1 73 LEU MD1 3.000 . 3.800 3.858 3.775 3.895 0.095 5 0 "[ . 1 . 2 .]" 3
713 1 73 LEU MD1 1 74 GLU HG2 4.000 . 5.500 4.489 4.191 4.663 . 0 0 "[ . 1 . 2 .]" 3
714 1 73 LEU MD1 1 74 GLU HG3 4.000 . 5.500 5.613 5.523 5.671 0.171 16 0 "[ . 1 . 2 .]" 3
715 1 74 GLU HA 1 74 GLU HG2 3.000 . 3.300 3.395 3.293 3.455 0.155 13 0 "[ . 1 . 2 .]" 3
716 1 74 GLU HA 1 74 GLU HG3 3.000 . 3.300 3.529 3.482 3.572 0.272 5 0 "[ . 1 . 2 .]" 3
717 1 74 GLU HG2 1 76 ARG QG 4.000 . 5.500 4.554 3.908 5.605 0.105 16 0 "[ . 1 . 2 .]" 3
718 1 74 GLU HG3 1 76 ARG QG 4.000 . 6.500 4.045 3.429 5.214 . 0 0 "[ . 1 . 2 .]" 3
719 1 74 GLU HG2 1 76 ARG QD 4.000 . 6.500 5.223 3.769 6.091 . 0 0 "[ . 1 . 2 .]" 3
720 1 74 GLU HA 1 76 ARG QD 4.000 . 5.500 5.244 3.673 5.562 0.062 24 0 "[ . 1 . 2 .]" 3
721 1 74 GLU HG3 1 76 ARG QD 4.000 . 6.500 4.279 3.309 5.500 . 0 0 "[ . 1 . 2 .]" 3
722 1 76 ARG HB3 1 76 ARG QD 3.000 . 3.800 2.367 2.104 3.241 . 0 0 "[ . 1 . 2 .]" 3
723 1 76 ARG HA 1 76 ARG QG 2.500 . 3.200 2.323 2.149 2.868 . 0 0 "[ . 1 . 2 .]" 3
724 1 76 ARG HA 1 76 ARG QD 3.000 . 3.800 3.553 2.096 4.016 0.216 17 0 "[ . 1 . 2 .]" 3
725 1 76 ARG QD 1 80 ILE MD 4.000 . 6.000 4.157 2.767 5.454 . 0 0 "[ . 1 . 2 .]" 3
726 1 77 SER HA 1 78 GLU QG 4.000 . 5.500 3.904 3.469 4.935 . 0 0 "[ . 1 . 2 .]" 3
727 1 77 SER HB2 1 80 ILE MG 4.000 . 5.500 5.272 4.643 5.620 0.120 20 0 "[ . 1 . 2 .]" 3
728 1 78 GLU HA 1 78 GLU QG 2.500 . 3.200 2.329 2.225 2.565 . 0 0 "[ . 1 . 2 .]" 3
729 1 78 GLU HA 1 80 ILE MG 3.000 . 3.800 2.928 2.609 3.326 . 0 0 "[ . 1 . 2 .]" 3
730 1 78 GLU HB3 1 81 LEU MD2 4.000 . 5.500 3.223 2.665 4.111 . 0 0 "[ . 1 . 2 .]" 3
731 1 78 GLU HB2 1 81 LEU MD2 4.000 . 5.500 4.679 4.107 5.340 . 0 0 "[ . 1 . 2 .]" 3
732 1 78 GLU QG 1 81 LEU MD2 3.000 . 4.300 3.232 2.509 4.003 . 0 0 "[ . 1 . 2 .]" 3
733 1 78 GLU HA 1 81 LEU MD2 3.000 . 3.800 3.715 3.083 3.883 0.083 16 0 "[ . 1 . 2 .]" 3
734 1 79 ASP HB2 1 80 ILE HA 4.000 . 5.000 4.396 4.246 4.533 . 0 0 "[ . 1 . 2 .]" 3
735 1 79 ASP HA 1 82 LEU HG 3.000 . 3.300 3.480 3.382 3.545 0.245 23 0 "[ . 1 . 2 .]" 3
736 1 79 ASP HB3 1 82 LEU MD2 4.000 . 5.500 4.314 3.954 5.224 . 0 0 "[ . 1 . 2 .]" 3
737 1 79 ASP HA 1 82 LEU MD2 3.000 . 3.800 2.648 2.301 3.066 . 0 0 "[ . 1 . 2 .]" 3
738 1 79 ASP HA 1 82 LEU MD1 4.000 . 5.500 4.606 4.510 4.667 . 0 0 "[ . 1 . 2 .]" 3
739 1 79 ASP HB2 1 82 LEU MD2 4.000 . 5.500 5.172 4.891 5.640 0.140 19 0 "[ . 1 . 2 .]" 3
740 1 80 ILE HA 1 80 ILE MD 3.000 . 3.800 3.740 3.645 3.845 0.045 9 0 "[ . 1 . 2 .]" 3
741 1 80 ILE HA 1 80 ILE MG 2.500 . 3.200 3.171 3.145 3.196 . 0 0 "[ . 1 . 2 .]" 3
742 1 80 ILE HA 1 80 ILE HG13 3.000 . 3.300 2.599 2.448 2.734 . 0 0 "[ . 1 . 2 .]" 3
743 1 80 ILE HG13 1 81 LEU MD1 4.000 . 5.500 5.488 5.026 5.622 0.122 23 0 "[ . 1 . 2 .]" 3
744 1 80 ILE MG 1 81 LEU MD2 4.000 . 6.000 4.691 4.437 4.961 . 0 0 "[ . 1 . 2 .]" 3
745 1 80 ILE MG 1 81 LEU MD1 3.000 . 4.300 4.265 4.063 4.351 0.051 4 0 "[ . 1 . 2 .]" 3
746 1 80 ILE MG 1 81 LEU QB 4.000 . 6.000 3.022 2.822 3.186 . 0 0 "[ . 1 . 2 .]" 3
747 1 80 ILE MG 1 81 LEU HA 4.000 . 5.500 3.698 3.433 3.960 . 0 0 "[ . 1 . 2 .]" 3
748 1 80 ILE MD 1 81 LEU MD1 4.000 . 6.000 5.016 4.548 5.316 . 0 0 "[ . 1 . 2 .]" 3
749 1 80 ILE HA 1 83 ASP HB3 4.000 . 6.000 3.672 3.006 4.646 . 0 0 "[ . 1 . 2 .]" 3
750 1 80 ILE HA 1 83 ASP HB2 4.000 . 5.000 4.758 4.216 5.167 0.167 16 0 "[ . 1 . 2 .]" 3
751 1 80 ILE MG 1 84 TYR QD 4.000 . 6.500 5.146 4.914 5.652 . 0 0 "[ . 1 . 2 .]" 3
752 1 80 ILE MG 1 84 TYR QE 4.000 . 5.500 4.101 3.717 4.782 . 0 0 "[ . 1 . 2 .]" 3
753 1 80 ILE HG13 1 84 TYR QE 4.000 . 5.000 2.374 2.118 3.622 . 0 0 "[ . 1 . 2 .]" 3
754 1 81 LEU HA 1 81 LEU MD1 2.500 . 3.200 2.122 1.948 2.430 . 0 0 "[ . 1 . 2 .]" 3
755 1 81 LEU HA 1 81 LEU HG 3.000 . 3.300 2.920 2.553 3.253 . 0 0 "[ . 1 . 2 .]" 3
756 1 81 LEU HA 1 81 LEU MD2 3.000 . 3.800 3.807 3.725 3.860 0.060 20 0 "[ . 1 . 2 .]" 3
757 1 81 LEU HA 1 84 TYR QD 3.000 . 3.300 2.828 2.133 3.193 . 0 0 "[ . 1 . 2 .]" 3
758 1 81 LEU MD1 1 84 TYR QD 3.000 . 3.800 2.155 1.954 2.643 . 0 0 "[ . 1 . 2 .]" 3
759 1 81 LEU MD1 1 84 TYR QE 3.000 . 3.800 2.564 2.150 3.222 . 0 0 "[ . 1 . 2 .]" 3
760 1 81 LEU HA 1 84 TYR QE 3.000 . 3.300 3.088 2.368 3.402 0.102 16 0 "[ . 1 . 2 .]" 3
761 1 83 ASP HA 1 86 LEU MD1 4.000 . 5.500 3.724 3.024 4.388 . 0 0 "[ . 1 . 2 .]" 3
762 1 83 ASP HB2 1 86 LEU MD1 4.000 . 5.500 3.101 2.590 3.544 . 0 0 "[ . 1 . 2 .]" 3
763 1 83 ASP HB2 1 86 LEU HG 4.000 . 5.000 4.599 4.119 5.045 0.045 10 0 "[ . 1 . 2 .]" 3
764 1 83 ASP HB3 1 86 LEU MD1 4.000 . 5.500 4.436 3.200 5.027 . 0 0 "[ . 1 . 2 .]" 3
765 1 84 TYR HA 1 84 TYR QD 3.000 . 3.300 2.044 1.926 2.296 . 0 0 "[ . 1 . 2 .]" 3
766 1 84 TYR HA 1 84 TYR QE 4.000 . 5.000 4.239 4.184 4.329 . 0 0 "[ . 1 . 2 .]" 3
767 1 84 TYR QD 1 87 THR MG 4.000 . 5.500 4.682 3.643 5.273 . 0 0 "[ . 1 . 2 .]" 3
768 1 84 TYR HA 1 87 THR HB 4.000 . 5.000 3.250 2.967 3.894 . 0 0 "[ . 1 . 2 .]" 3
769 1 84 TYR HB3 1 87 THR HB 4.000 . 6.000 3.335 2.693 3.853 . 0 0 "[ . 1 . 2 .]" 3
770 1 84 TYR QD 1 87 THR HB 4.000 . 5.000 4.369 3.211 4.972 . 0 0 "[ . 1 . 2 .]" 3
771 1 85 ARG HA 1 88 LEU MD1 4.000 . 5.500 3.976 3.458 4.703 . 0 0 "[ . 1 . 2 .]" 3
772 1 85 ARG HA 1 88 LEU HB2 4.000 . 5.000 3.387 2.941 3.874 . 0 0 "[ . 1 . 2 .]" 3
773 1 85 ARG HA 1 88 LEU HB3 4.000 . 5.000 3.152 2.516 3.637 . 0 0 "[ . 1 . 2 .]" 3
774 1 85 ARG QB 1 89 ILE MD 4.000 . 6.000 3.749 3.222 4.078 . 0 0 "[ . 1 . 2 .]" 3
775 1 86 LEU HA 1 86 LEU MD1 3.000 . 3.800 3.808 3.761 3.846 0.046 11 0 "[ . 1 . 2 .]" 3
776 1 86 LEU HA 1 86 LEU MD2 2.500 . 3.200 2.119 2.032 2.231 . 0 0 "[ . 1 . 2 .]" 3
777 1 86 LEU HB2 1 86 LEU MD1 3.000 . 3.800 2.245 2.121 2.405 . 0 0 "[ . 1 . 2 .]" 3
778 1 86 LEU HB2 1 86 LEU MD2 3.000 . 3.800 3.169 3.146 3.186 . 0 0 "[ . 1 . 2 .]" 3
779 1 86 LEU HB3 1 86 LEU MD1 3.000 . 3.800 2.449 2.295 2.571 . 0 0 "[ . 1 . 2 .]" 3
780 1 86 LEU MD2 1 89 ILE MG 3.000 . 4.300 4.134 3.806 4.319 0.019 4 0 "[ . 1 . 2 .]" 3
781 1 86 LEU MD2 1 89 ILE HB 4.000 . 5.500 3.804 3.558 4.004 . 0 0 "[ . 1 . 2 .]" 3
782 1 86 LEU MD2 1 89 ILE MD 3.000 . 4.300 3.601 2.727 4.093 . 0 0 "[ . 1 . 2 .]" 3
783 1 86 LEU HA 1 89 ILE HB 3.000 . 3.300 2.821 2.597 2.992 . 0 0 "[ . 1 . 2 .]" 3
784 1 86 LEU HA 1 89 ILE MG 4.000 . 5.500 4.158 3.949 4.344 . 0 0 "[ . 1 . 2 .]" 3
785 1 87 THR HA 1 87 THR MG 2.500 . 3.200 2.278 2.171 2.361 . 0 0 "[ . 1 . 2 .]" 3
786 1 87 THR HA 1 90 ASP QB 3.000 . 3.800 2.416 2.177 2.858 . 0 0 "[ . 1 . 2 .]" 3
787 1 87 THR MG 1 90 ASP QB 4.000 . 6.000 3.501 3.044 4.181 . 0 0 "[ . 1 . 2 .]" 3
788 1 87 THR HA 1 91 VAL MG2 4.000 . 5.500 3.628 3.259 3.995 . 0 0 "[ . 1 . 2 .]" 3
789 1 88 LEU HA 1 88 LEU HG 4.000 . 5.000 3.029 2.386 3.651 . 0 0 "[ . 1 . 2 .]" 3
790 1 88 LEU HA 1 88 LEU MD1 4.000 . 5.500 3.480 3.028 3.792 . 0 0 "[ . 1 . 2 .]" 3
791 1 88 LEU HA 1 88 LEU MD2 2.500 . 3.200 2.084 1.935 2.475 . 0 0 "[ . 1 . 2 .]" 3
792 1 88 LEU HB3 1 88 LEU MD2 3.000 . 3.800 2.792 2.304 3.196 . 0 0 "[ . 1 . 2 .]" 3
793 1 88 LEU HB3 1 88 LEU MD1 3.000 . 3.800 2.191 2.117 2.284 . 0 0 "[ . 1 . 2 .]" 3
794 1 88 LEU HB2 1 88 LEU MD2 3.000 . 3.800 2.866 2.423 3.204 . 0 0 "[ . 1 . 2 .]" 3
795 1 88 LEU HB2 1 88 LEU MD1 3.000 . 3.800 2.761 2.368 3.180 . 0 0 "[ . 1 . 2 .]" 3
796 1 88 LEU HA 1 91 VAL HB 4.000 . 5.000 2.742 2.339 3.170 . 0 0 "[ . 1 . 2 .]" 3
797 1 88 LEU MD2 1 91 VAL HB 4.000 . 5.500 2.921 2.478 3.319 . 0 0 "[ . 1 . 2 .]" 3
798 1 88 LEU MD2 1 92 ILE MG 3.000 . 4.300 2.383 1.929 4.060 . 0 0 "[ . 1 . 2 .]" 3
799 1 89 ILE MG 1 90 ASP HA 4.000 . 5.500 3.550 3.342 3.751 . 0 0 "[ . 1 . 2 .]" 3
800 1 89 ILE MG 1 93 ALA MB 3.000 . 4.300 2.887 2.474 3.257 . 0 0 "[ . 1 . 2 .]" 3
801 1 90 ASP QB 1 91 VAL MG2 4.000 . 6.000 3.354 3.011 4.211 . 0 0 "[ . 1 . 2 .]" 3
802 1 90 ASP HA 1 91 VAL MG2 4.000 . 5.500 5.098 4.947 5.293 . 0 0 "[ . 1 . 2 .]" 3
803 1 90 ASP HA 1 93 ALA MB 2.500 . 3.200 2.199 2.126 2.433 . 0 0 "[ . 1 . 2 .]" 3
804 1 91 VAL HA 1 91 VAL MG1 2.500 . 3.200 2.414 2.361 2.506 . 0 0 "[ . 1 . 2 .]" 3
805 1 91 VAL HA 1 91 VAL MG2 2.500 . 3.200 2.228 2.106 2.344 . 0 0 "[ . 1 . 2 .]" 3
806 1 91 VAL MG1 1 92 ILE HA 4.000 . 5.500 3.203 3.012 3.424 . 0 0 "[ . 1 . 2 .]" 3
807 1 91 VAL HA 1 94 HIS QB 4.000 . 5.500 2.821 2.295 3.092 . 0 0 "[ . 1 . 2 .]" 3
808 1 92 ILE HA 1 92 ILE MD 4.000 . 5.500 4.100 3.846 4.133 . 0 0 "[ . 1 . 2 .]" 3
809 1 92 ILE HA 1 92 ILE MG 3.000 . 3.800 2.310 2.113 2.423 . 0 0 "[ . 1 . 2 .]" 3
810 1 92 ILE HA 1 95 LEU MD2 4.000 . 5.500 2.023 1.852 2.190 . 0 0 "[ . 1 . 2 .]" 3
811 1 92 ILE HA 1 95 LEU HB2 4.000 . 5.000 5.020 4.722 5.211 0.211 1 0 "[ . 1 . 2 .]" 3
812 1 92 ILE HA 1 95 LEU MD1 4.000 . 6.500 4.162 3.783 4.582 . 0 0 "[ . 1 . 2 .]" 3
813 1 92 ILE HA 1 95 LEU HB3 4.000 . 5.000 3.557 3.250 3.710 . 0 0 "[ . 1 . 2 .]" 3
814 1 92 ILE MG 1 95 LEU MD2 4.000 . 6.000 3.042 2.597 3.230 . 0 0 "[ . 1 . 2 .]" 3
815 1 93 ALA MB 1 94 HIS HA 4.000 . 5.500 3.832 3.785 3.891 . 0 0 "[ . 1 . 2 .]" 3
816 1 94 HIS HA 1 97 GLU HB3 4.000 . 5.000 4.340 3.904 4.551 . 0 0 "[ . 1 . 2 .]" 3
817 1 94 HIS HA 1 97 GLU HB2 4.000 . 5.000 2.790 2.377 2.977 . 0 0 "[ . 1 . 2 .]" 3
818 1 95 LEU HA 1 95 LEU MD2 3.000 . 3.800 3.889 3.620 4.084 0.284 11 0 "[ . 1 . 2 .]" 3
819 1 95 LEU MD1 1 98 MET ME 4.000 . 6.000 4.458 3.775 5.028 . 0 0 "[ . 1 . 2 .]" 3
820 1 95 LEU HA 1 98 MET HB2 4.000 . 5.000 4.418 4.065 5.045 0.045 25 0 "[ . 1 . 2 .]" 3
821 1 95 LEU HG 1 99 TYR QD 4.000 . 5.000 4.217 3.336 4.979 . 0 0 "[ . 1 . 2 .]" 3
822 1 95 LEU MD1 1 99 TYR QD 4.000 . 5.500 3.364 2.281 4.452 . 0 0 "[ . 1 . 2 .]" 3
823 1 95 LEU HG 1 99 TYR QE 4.000 . 5.000 3.609 2.634 4.452 . 0 0 "[ . 1 . 2 .]" 3
824 1 95 LEU MD1 1 99 TYR QE 3.000 . 3.800 2.295 1.953 2.972 . 0 0 "[ . 1 . 2 .]" 3
825 1 95 LEU MD2 1 99 TYR QE 3.000 . 3.800 3.553 3.164 3.846 0.046 12 0 "[ . 1 . 2 .]" 3
826 1 43 VAL HA 1 95 LEU MD2 4.000 . 5.500 3.493 3.134 3.928 . 0 0 "[ . 1 . 2 .]" 3
827 1 96 CYS HA 1 99 TYR HB3 4.000 . 6.000 4.500 4.100 4.746 . 0 0 "[ . 1 . 2 .]" 3
828 1 96 CYS HA 1 99 TYR HB2 4.000 . 6.000 2.957 2.482 3.305 . 0 0 "[ . 1 . 2 .]" 3
829 1 96 CYS HA 1 99 TYR QE 4.000 . 5.000 3.563 3.076 4.021 . 0 0 "[ . 1 . 2 .]" 3
830 1 97 GLU HA 1 97 GLU HG2 4.000 . 5.000 2.475 2.183 2.863 . 0 0 "[ . 1 . 2 .]" 3
831 1 97 GLU HA 1 97 GLU HG3 4.000 . 5.000 3.338 2.744 3.650 . 0 0 "[ . 1 . 2 .]" 3
832 1 97 GLU HA 1 100 ARG HB3 4.000 . 5.000 3.143 2.926 3.460 . 0 0 "[ . 1 . 2 .]" 3
833 1 97 GLU HA 1 100 ARG HB2 4.000 . 5.000 3.386 2.888 3.950 . 0 0 "[ . 1 . 2 .]" 3
834 1 98 MET HA 1 98 MET HG3 3.000 . 3.300 3.507 3.443 3.518 0.218 12 0 "[ . 1 . 2 .]" 3
835 1 98 MET HB3 1 98 MET ME 4.000 . 5.500 2.775 2.416 3.036 . 0 0 "[ . 1 . 2 .]" 3
836 1 98 MET HB2 1 98 MET ME 4.000 . 5.500 2.157 2.011 2.416 . 0 0 "[ . 1 . 2 .]" 3
837 1 98 MET HA 1 98 MET ME 4.000 . 5.500 4.157 3.893 4.407 . 0 0 "[ . 1 . 2 .]" 3
838 1 98 MET HA 1 101 ARG HD3 3.000 . 3.300 2.726 2.273 3.236 . 0 0 "[ . 1 . 2 .]" 3
839 1 98 MET HA 1 101 ARG HD2 4.000 . 5.000 3.391 2.345 3.987 . 0 0 "[ . 1 . 2 .]" 3
840 1 98 MET ME 1 101 ARG HD3 4.000 . 5.500 5.523 5.362 5.581 0.081 3 0 "[ . 1 . 2 .]" 3
841 1 99 TYR HA 1 99 TYR QE 4.000 . 5.000 4.325 4.222 4.394 . 0 0 "[ . 1 . 2 .]" 3
842 1 99 TYR HA 1 99 TYR QD 3.000 . 3.300 2.044 1.948 2.134 . 0 0 "[ . 1 . 2 .]" 3
843 1 99 TYR HA 1 102 SER QB 4.000 . 5.500 2.725 2.172 3.868 . 0 0 "[ . 1 . 2 .]" 3
844 1 101 ARG HB2 1 101 ARG HD3 3.000 . 3.300 2.384 2.272 2.536 . 0 0 "[ . 1 . 2 .]" 3
845 1 101 ARG HA 1 101 ARG HG2 3.000 . 3.300 2.489 2.378 2.585 . 0 0 "[ . 1 . 2 .]" 3
846 1 101 ARG HA 1 101 ARG HG3 3.000 . 3.300 2.977 2.855 3.071 . 0 0 "[ . 1 . 2 .]" 3
847 1 101 ARG HA 1 101 ARG HD3 4.000 . 5.000 4.506 4.322 4.655 . 0 0 "[ . 1 . 2 .]" 3
848 1 101 ARG HA 1 101 ARG HD2 4.000 . 5.000 4.801 4.706 4.846 . 0 0 "[ . 1 . 2 .]" 3
849 1 103 ILE HA 1 104 PRO HG2 4.000 . 5.000 4.415 4.370 4.488 . 0 0 "[ . 1 . 2 .]" 3
850 1 103 ILE MG 1 105 ARG QG 3.000 . 4.300 3.909 3.183 4.349 0.049 23 0 "[ . 1 . 2 .]" 3
851 1 103 ILE MG 1 105 ARG QD 3.000 . 4.300 3.593 2.236 4.256 . 0 0 "[ . 1 . 2 .]" 3
852 1 103 ILE MG 1 105 ARG HA 4.000 . 5.500 3.202 2.496 4.444 . 0 0 "[ . 1 . 2 .]" 3
853 1 105 ARG HB3 1 105 ARG QD 3.000 . 3.800 3.376 2.196 3.575 . 0 0 "[ . 1 . 2 .]" 3
854 1 105 ARG HB2 1 105 ARG QD 3.000 . 3.800 2.545 2.116 3.290 . 0 0 "[ . 1 . 2 .]" 3
855 1 105 ARG HA 1 105 ARG QD 2.500 . 3.200 2.990 2.184 3.286 0.086 21 0 "[ . 1 . 2 .]" 3
856 1 105 ARG HA 1 106 GLU QG 4.000 . 5.500 4.693 3.858 5.701 0.201 13 0 "[ . 1 . 2 .]" 3
857 1 106 GLU HA 1 106 GLU QG 3.000 . 3.800 2.424 2.180 2.916 . 0 0 "[ . 1 . 2 .]" 3
858 1 107 VAL HA 1 107 VAL MG1 3.000 . 3.800 2.404 2.082 3.167 . 0 0 "[ . 1 . 2 .]" 3
859 1 107 VAL HA 1 107 VAL MG2 3.000 . 3.800 2.834 2.209 3.194 . 0 0 "[ . 1 . 2 .]" 3
860 2 2 MET HA 2 2 MET QG 2.500 . 3.200 2.441 2.105 3.395 0.195 22 0 "[ . 1 . 2 .]" 3
861 2 4 ARG HA 2 4 ARG QG 3.000 . 3.800 2.422 2.089 3.296 . 0 0 "[ . 1 . 2 .]" 3
862 2 4 ARG HB2 2 4 ARG QD 3.000 . 3.800 2.595 2.140 3.273 . 0 0 "[ . 1 . 2 .]" 3
863 2 5 MET QG 2 9 ASP HB2 3.000 . 3.800 3.707 3.450 3.876 0.076 10 0 "[ . 1 . 2 .]" 3
864 2 5 MET QG 2 9 ASP HB3 4.000 . 5.500 4.575 4.251 4.921 . 0 0 "[ . 1 . 2 .]" 3
865 2 5 MET QG 2 9 ASP HA 4.000 . 5.500 5.474 5.184 5.572 0.072 22 0 "[ . 1 . 2 .]" 3
866 2 6 SER HA 2 7 PRO HB3 4.000 . 5.000 5.071 4.922 5.161 0.161 6 0 "[ . 1 . 2 .]" 3
867 2 6 SER HA 2 7 PRO HB2 4.000 . 6.000 5.731 5.662 5.776 . 0 0 "[ . 1 . 2 .]" 3
868 2 6 SER HB2 2 7 PRO HD3 4.000 . 5.000 3.827 3.588 4.530 . 0 0 "[ . 1 . 2 .]" 3
869 2 6 SER HA 2 7 PRO HD3 2.500 . 2.700 2.468 2.295 2.562 . 0 0 "[ . 1 . 2 .]" 3
870 2 6 SER HB3 2 7 PRO HD3 3.000 . 3.300 3.368 3.291 3.497 0.197 13 0 "[ . 1 . 2 .]" 3
871 2 6 SER HB3 2 7 PRO HD2 3.000 . 3.300 2.149 2.051 2.213 . 0 0 "[ . 1 . 2 .]" 3
872 2 6 SER HA 2 7 PRO HD2 2.500 . 2.700 2.637 2.556 2.741 0.041 22 0 "[ . 1 . 2 .]" 3
873 2 6 SER HB2 2 7 PRO HD2 3.000 . 3.300 2.484 2.161 3.429 0.129 21 0 "[ . 1 . 2 .]" 3
874 2 6 SER HA 2 7 PRO HG3 4.000 . 5.000 4.678 4.531 4.750 . 0 0 "[ . 1 . 2 .]" 3
875 2 6 SER HB3 2 7 PRO HG3 4.000 . 5.000 4.799 4.613 4.884 . 0 0 "[ . 1 . 2 .]" 3
876 2 6 SER HA 2 7 PRO HG2 4.000 . 5.000 4.737 4.663 4.822 . 0 0 "[ . 1 . 2 .]" 3
877 2 6 SER HA 2 7 PRO HA 4.000 . 5.000 4.373 4.339 4.393 . 0 0 "[ . 1 . 2 .]" 3
878 2 6 SER HB3 2 8 ALA MB 4.000 . 5.500 3.903 2.566 4.418 . 0 0 "[ . 1 . 2 .]" 3
879 2 6 SER HB2 2 8 ALA MB 4.000 . 5.500 2.956 2.627 3.538 . 0 0 "[ . 1 . 2 .]" 3
880 2 7 PRO HA 2 10 LYS HB2 3.000 . 3.300 3.323 3.184 3.398 0.098 9 0 "[ . 1 . 2 .]" 3
881 2 7 PRO HA 2 10 LYS QD 4.000 . 5.500 5.413 5.051 5.548 0.048 23 0 "[ . 1 . 2 .]" 3
882 2 7 PRO HA 2 10 LYS QG 4.000 . 5.500 4.896 4.731 4.977 . 0 0 "[ . 1 . 2 .]" 3
883 2 8 ALA MB 2 9 ASP HA 4.000 . 5.500 3.792 3.720 3.869 . 0 0 "[ . 1 . 2 .]" 3
884 2 8 ALA MB 2 11 ARG QB 4.000 . 6.000 3.549 3.280 3.726 . 0 0 "[ . 1 . 2 .]" 3
885 2 8 ALA HA 2 11 ARG QB 3.000 . 3.800 2.414 2.131 2.891 . 0 0 "[ . 1 . 2 .]" 3
886 2 8 ALA MB 2 11 ARG QD 4.000 . 6.000 5.649 5.086 6.011 0.011 3 0 "[ . 1 . 2 .]" 3
887 2 8 ALA HA 2 11 ARG QG 4.000 . 5.500 3.198 2.232 4.115 . 0 0 "[ . 1 . 2 .]" 3
888 2 8 ALA HA 2 11 ARG QD 4.000 . 5.500 4.753 3.797 5.424 . 0 0 "[ . 1 . 2 .]" 3
889 2 8 ALA MB 2 12 LYS QE 4.000 . 6.000 4.070 2.640 5.588 . 0 0 "[ . 1 . 2 .]" 3
890 2 9 ASP HA 2 12 LYS QB 2.500 . 3.200 2.566 2.190 3.120 . 0 0 "[ . 1 . 2 .]" 3
891 2 9 ASP HA 2 12 LYS QD 3.000 . 3.800 3.070 2.345 3.846 0.046 1 0 "[ . 1 . 2 .]" 3
892 2 9 ASP HA 2 12 LYS HG3 4.000 . 5.000 3.581 2.628 5.032 0.032 17 0 "[ . 1 . 2 .]" 3
893 2 10 LYS HB2 2 10 LYS QE 4.000 . 5.500 4.287 4.112 4.568 . 0 0 "[ . 1 . 2 .]" 3
894 2 10 LYS HA 2 10 LYS QD 2.500 . 3.200 3.193 2.949 3.268 0.068 4 0 "[ . 1 . 2 .]" 3
895 2 10 LYS HA 2 10 LYS QG 2.500 . 3.200 2.143 2.126 2.173 . 0 0 "[ . 1 . 2 .]" 3
896 2 10 LYS HA 2 13 LEU QD 2.500 . 3.200 2.156 2.038 2.325 . 0 0 "[ . 1 . 2 .]" 3
897 2 10 LYS QE 2 13 LEU QD 3.000 . 4.300 4.298 4.086 4.438 0.138 2 0 "[ . 1 . 2 .]" 3
898 2 10 LYS HA 2 13 LEU HB3 3.000 . 3.300 3.567 3.515 3.599 0.299 11 0 "[ . 1 . 2 .]" 3
899 2 10 LYS QE 2 14 LEU MD1 3.000 . 4.300 2.693 2.125 3.727 . 0 0 "[ . 1 . 2 .]" 3
900 2 10 LYS QE 2 14 LEU MD2 3.000 . 4.300 2.245 2.038 3.029 . 0 0 "[ . 1 . 2 .]" 3
901 2 10 LYS QE 2 49 ALA MB 3.000 . 4.300 2.918 2.305 3.986 . 0 0 "[ . 1 . 2 .]" 3
902 2 10 LYS QE 2 51 ILE MD 4.000 . 6.000 2.381 1.958 2.988 . 0 0 "[ . 1 . 2 .]" 3
903 2 10 LYS QD 2 51 ILE MD 4.000 . 6.000 3.588 3.256 4.063 . 0 0 "[ . 1 . 2 .]" 3
904 2 10 LYS QE 2 51 ILE MG 4.000 . 7.000 2.794 2.137 3.533 . 0 0 "[ . 1 . 2 .]" 3
905 2 11 ARG HA 2 11 ARG QD 3.000 . 3.800 2.047 1.967 2.128 . 0 0 "[ . 1 . 2 .]" 3
906 2 11 ARG HA 2 11 ARG QG 2.500 . 3.200 2.644 2.253 2.942 . 0 0 "[ . 1 . 2 .]" 3
907 2 11 ARG QD 2 14 LEU MD2 3.000 . 4.300 4.389 4.279 4.459 0.159 15 0 "[ . 1 . 2 .]" 3
908 2 11 ARG HA 2 14 LEU HB2 2.500 . 2.700 2.663 2.333 2.775 0.075 7 0 "[ . 1 . 2 .]" 3
909 2 11 ARG QD 2 14 LEU HB2 4.000 . 5.500 3.223 2.153 4.096 . 0 0 "[ . 1 . 2 .]" 3
910 2 12 LYS HA 2 12 LYS HG3 3.000 . 3.300 2.888 2.262 3.269 . 0 0 "[ . 1 . 2 .]" 3
911 2 12 LYS HA 2 12 LYS QD 3.000 . 3.800 3.883 3.825 3.947 0.147 12 0 "[ . 1 . 2 .]" 3
912 2 12 LYS HA 2 12 LYS HG2 3.000 . 3.300 2.432 2.229 2.896 . 0 0 "[ . 1 . 2 .]" 3
913 2 12 LYS HA 2 15 ASP HB2 3.000 . 3.300 2.511 2.187 2.761 . 0 0 "[ . 1 . 2 .]" 3
914 2 13 LEU HA 2 13 LEU QD 2.500 . 3.200 2.210 2.008 2.292 . 0 0 "[ . 1 . 2 .]" 3
915 2 13 LEU HA 2 16 GLU QB 2.500 . 3.200 3.137 2.663 3.254 0.054 18 0 "[ . 1 . 2 .]" 3
916 2 13 LEU QD 2 16 GLU QB 4.000 . 6.000 3.655 3.409 3.913 . 0 0 "[ . 1 . 2 .]" 3
917 2 13 LEU HG 2 16 GLU QG 4.000 . 5.500 5.180 4.751 5.549 0.049 10 0 "[ . 1 . 2 .]" 3
918 2 13 LEU QD 2 45 LYS HD3 4.000 . 5.500 3.833 3.560 4.408 . 0 0 "[ . 1 . 2 .]" 3
919 2 13 LEU QD 2 45 LYS HD2 4.000 . 6.500 2.469 2.175 3.034 . 0 0 "[ . 1 . 2 .]" 3
920 2 13 LEU QD 2 45 LYS HB2 4.000 . 5.500 4.536 4.251 5.036 . 0 0 "[ . 1 . 2 .]" 3
921 2 13 LEU QD 2 45 LYS HB3 4.000 . 5.500 3.210 2.852 3.724 . 0 0 "[ . 1 . 2 .]" 3
922 2 13 LEU QD 2 48 PHE QD 3.000 . 3.800 3.865 3.793 3.929 0.129 3 0 "[ . 1 . 2 .]" 3
923 2 13 LEU QD 2 48 PHE QB 4.000 . 6.000 4.262 3.907 5.160 . 0 0 "[ . 1 . 2 .]" 3
924 2 13 LEU QD 2 49 ALA HA 3.000 . 3.800 3.712 3.128 3.839 0.039 2 0 "[ . 1 . 2 .]" 3
925 2 13 LEU QD 2 49 ALA MB 2.500 . 3.700 2.352 2.183 2.645 . 0 0 "[ . 1 . 2 .]" 3
926 2 14 LEU HA 2 14 LEU MD1 2.500 . 3.200 3.404 3.318 3.483 0.283 8 0 "[ . 1 . 2 .]" 3
927 2 14 LEU HA 2 14 LEU HG 3.000 . 3.300 3.437 3.376 3.480 0.180 12 0 "[ . 1 . 2 .]" 3
928 2 14 LEU HA 2 14 LEU MD2 3.000 . 3.800 1.930 1.904 1.952 . 0 0 "[ . 1 . 2 .]" 3
929 2 14 LEU HG 2 17 LEU MD1 3.000 . 3.800 4.062 4.040 4.086 0.286 18 0 "[ . 1 . 2 .]" 3
930 2 14 LEU HA 2 17 LEU MD1 3.000 . 3.800 1.979 1.919 2.084 . 0 0 "[ . 1 . 2 .]" 3
931 2 14 LEU MD2 2 17 LEU MD1 2.500 . 3.700 1.752 1.736 1.778 0.064 24 0 "[ . 1 . 2 .]" 3
932 2 14 LEU MD1 2 17 LEU MD1 2.500 . 3.700 3.341 3.103 3.548 . 0 0 "[ . 1 . 2 .]" 3
933 2 14 LEU MD2 2 17 LEU MD2 3.000 . 4.300 3.958 3.921 3.989 . 0 0 "[ . 1 . 2 .]" 3
934 2 14 LEU MD2 2 17 LEU HB2 4.000 . 5.500 3.469 3.229 3.646 . 0 0 "[ . 1 . 2 .]" 3
935 2 14 LEU MD1 2 17 LEU HB2 4.000 . 6.500 4.590 4.383 4.734 . 0 0 "[ . 1 . 2 .]" 3
936 2 14 LEU HA 2 17 LEU MD2 4.000 . 5.500 4.174 4.116 4.246 . 0 0 "[ . 1 . 2 .]" 3
937 2 14 LEU HA 2 17 LEU HB2 3.000 . 3.300 2.356 2.174 2.530 . 0 0 "[ . 1 . 2 .]" 3
938 2 14 LEU HA 2 17 LEU HB3 4.000 . 5.000 3.882 3.741 4.036 . 0 0 "[ . 1 . 2 .]" 3
939 2 14 LEU MD2 2 45 LYS QE 3.000 . 4.300 4.515 4.423 4.588 0.288 18 0 "[ . 1 . 2 .]" 3
940 2 14 LEU MD1 2 46 ALA MB 4.000 . 6.000 6.064 5.813 6.137 0.137 1 0 "[ . 1 . 2 .]" 3
941 2 14 LEU MD2 2 46 ALA HA 4.000 . 5.500 4.588 4.380 4.758 . 0 0 "[ . 1 . 2 .]" 3
942 2 14 LEU MD2 2 49 ALA MB 2.500 . 3.700 3.427 2.991 3.696 . 0 0 "[ . 1 . 2 .]" 3
943 2 14 LEU MD2 2 51 ILE MD 2.500 . 3.700 1.901 1.777 1.986 0.023 13 0 "[ . 1 . 2 .]" 3
944 2 14 LEU MD1 2 51 ILE MD 3.000 . 4.300 3.122 2.825 3.480 . 0 0 "[ . 1 . 2 .]" 3
945 2 14 LEU HG 2 51 ILE MD 4.000 . 5.500 4.099 3.821 4.256 . 0 0 "[ . 1 . 2 .]" 3
946 2 14 LEU MD1 2 51 ILE HA 4.000 . 5.500 5.416 5.027 5.588 0.088 23 0 "[ . 1 . 2 .]" 3
947 2 14 LEU MD2 2 51 ILE HA 4.000 . 5.500 4.923 4.613 5.120 . 0 0 "[ . 1 . 2 .]" 3
948 2 14 LEU MD2 2 51 ILE MG 3.000 . 4.300 3.004 2.637 3.241 . 0 0 "[ . 1 . 2 .]" 3
949 2 14 LEU MD1 2 55 GLN HB2 4.000 . 5.500 3.918 3.712 4.147 . 0 0 "[ . 1 . 2 .]" 3
950 2 14 LEU MD1 2 55 GLN HB3 3.000 . 3.800 2.609 2.423 2.834 . 0 0 "[ . 1 . 2 .]" 3
951 2 14 LEU MD2 2 55 GLN HB3 3.000 . 3.800 3.816 3.551 3.913 0.113 3 0 "[ . 1 . 2 .]" 3
952 2 14 LEU MD2 2 55 GLN QG 3.000 . 4.300 4.300 4.139 4.352 0.052 8 0 "[ . 1 . 2 .]" 3
953 2 14 LEU MD1 2 55 GLN QG 3.000 . 4.300 3.402 3.177 3.604 . 0 0 "[ . 1 . 2 .]" 3
954 2 15 ASP HA 2 18 ARG QD 2.500 . 3.200 3.091 2.331 3.318 0.118 5 0 "[ . 1 . 2 .]" 3
955 2 15 ASP HA 2 18 ARG QB 3.000 . 3.800 2.616 2.248 3.097 . 0 0 "[ . 1 . 2 .]" 3
956 2 16 GLU QB 2 19 SER QB 4.000 . 6.000 4.276 4.010 4.797 . 0 0 "[ . 1 . 2 .]" 3
957 2 16 GLU HA 2 19 SER QB 2.500 . 3.200 2.918 2.727 3.176 . 0 0 "[ . 1 . 2 .]" 3
958 2 16 GLU QG 2 19 SER QB 4.000 . 6.000 4.664 4.123 5.437 . 0 0 "[ . 1 . 2 .]" 3
959 2 16 GLU QG 2 20 ILE MD 3.000 . 4.300 4.143 2.132 4.373 0.073 13 0 "[ . 1 . 2 .]" 3
960 2 16 GLU HA 2 20 ILE MD 4.000 . 5.500 4.132 3.823 4.397 . 0 0 "[ . 1 . 2 .]" 3
961 2 16 GLU QB 2 45 LYS QE 3.000 . 4.300 3.326 3.130 3.603 . 0 0 "[ . 1 . 2 .]" 3
962 2 17 LEU HB2 2 17 LEU MD1 3.000 . 3.800 2.159 2.101 2.240 . 0 0 "[ . 1 . 2 .]" 3
963 2 17 LEU HA 2 17 LEU MD2 2.500 . 3.200 2.126 2.102 2.164 . 0 0 "[ . 1 . 2 .]" 3
964 2 17 LEU HA 2 17 LEU MD1 4.000 . 5.500 3.820 3.783 3.840 . 0 0 "[ . 1 . 2 .]" 3
965 2 17 LEU HG 2 20 ILE MD 4.000 . 6.500 3.566 3.248 4.023 . 0 0 "[ . 1 . 2 .]" 3
966 2 17 LEU MD2 2 20 ILE MD 3.000 . 4.300 2.551 2.271 2.972 . 0 0 "[ . 1 . 2 .]" 3
967 2 17 LEU MD2 2 20 ILE HB 4.000 . 5.500 3.271 3.092 3.538 . 0 0 "[ . 1 . 2 .]" 3
968 2 17 LEU HA 2 20 ILE MG 4.000 . 5.500 3.753 3.648 3.962 . 0 0 "[ . 1 . 2 .]" 3
969 2 17 LEU MD2 2 20 ILE MG 4.000 . 6.000 3.571 3.390 3.833 . 0 0 "[ . 1 . 2 .]" 3
970 2 17 LEU HA 2 20 ILE HB 4.000 . 5.000 2.277 2.158 2.567 . 0 0 "[ . 1 . 2 .]" 3
971 2 17 LEU HA 2 20 ILE MD 3.000 . 3.800 2.472 2.176 3.017 . 0 0 "[ . 1 . 2 .]" 3
972 2 17 LEU MD2 2 42 PHE QD 4.000 . 5.500 2.426 2.229 2.693 . 0 0 "[ . 1 . 2 .]" 3
973 2 17 LEU MD2 2 42 PHE QE 4.000 . 5.500 2.704 2.475 2.990 . 0 0 "[ . 1 . 2 .]" 3
974 2 17 LEU MD2 2 42 PHE HA 3.000 . 3.800 2.334 2.118 2.534 . 0 0 "[ . 1 . 2 .]" 3
975 2 17 LEU MD2 2 45 LYS HD3 4.000 . 5.500 4.212 4.139 4.472 . 0 0 "[ . 1 . 2 .]" 3
976 2 17 LEU MD2 2 45 LYS HD2 4.000 . 5.500 4.066 3.939 4.353 . 0 0 "[ . 1 . 2 .]" 3
977 2 17 LEU MD2 2 45 LYS HG3 4.000 . 5.500 3.869 3.756 4.013 . 0 0 "[ . 1 . 2 .]" 3
978 2 17 LEU MD2 2 45 LYS QE 4.000 . 6.000 1.880 1.799 2.086 0.001 11 0 "[ . 1 . 2 .]" 3
979 2 17 LEU MD2 2 45 LYS HB3 3.000 . 3.800 2.870 2.635 3.057 . 0 0 "[ . 1 . 2 .]" 3
980 2 17 LEU MD2 2 45 LYS HB2 3.000 . 3.800 2.158 2.076 2.321 . 0 0 "[ . 1 . 2 .]" 3
981 2 17 LEU MD1 2 46 ALA HA 3.000 . 3.800 3.297 2.893 3.781 . 0 0 "[ . 1 . 2 .]" 3
982 2 17 LEU MD1 2 46 ALA MB 3.000 . 4.300 3.384 3.038 3.671 . 0 0 "[ . 1 . 2 .]" 3
983 2 17 LEU MD2 2 46 ALA HA 4.000 . 5.500 3.830 3.300 4.242 . 0 0 "[ . 1 . 2 .]" 3
984 2 17 LEU MD2 2 46 ALA MB 3.000 . 4.300 3.243 2.850 3.504 . 0 0 "[ . 1 . 2 .]" 3
985 2 17 LEU MD2 2 49 ALA MB 4.000 . 7.000 4.718 4.137 5.124 . 0 0 "[ . 1 . 2 .]" 3
986 2 17 LEU MD1 2 51 ILE MD 2.500 . 3.700 2.148 1.901 2.561 . 0 0 "[ . 1 . 2 .]" 3
987 2 17 LEU MD2 2 51 ILE MD 4.000 . 6.000 3.534 3.281 4.175 . 0 0 "[ . 1 . 2 .]" 3
988 2 17 LEU MD1 2 51 ILE MG 3.000 . 4.300 3.391 3.131 3.671 . 0 0 "[ . 1 . 2 .]" 3
989 2 17 LEU MD1 2 51 ILE HG13 4.000 . 5.500 4.155 3.644 4.653 . 0 0 "[ . 1 . 2 .]" 3
990 2 17 LEU MD1 2 51 ILE HG12 4.000 . 5.500 4.565 4.127 5.013 . 0 0 "[ . 1 . 2 .]" 3
991 2 17 LEU MD2 2 51 ILE MG 4.000 . 6.000 4.778 4.442 5.375 . 0 0 "[ . 1 . 2 .]" 3
992 2 17 LEU MD1 2 56 VAL MG2 4.000 . 6.000 3.769 3.375 4.247 . 0 0 "[ . 1 . 2 .]" 3
993 2 17 LEU MD1 2 59 ILE MD 3.000 . 4.300 2.572 2.267 3.085 . 0 0 "[ . 1 . 2 .]" 3
994 2 17 LEU HB2 2 59 ILE MD 4.000 . 5.500 2.520 2.225 3.014 . 0 0 "[ . 1 . 2 .]" 3
995 2 17 LEU MD2 2 59 ILE MD 4.000 . 6.000 3.923 3.555 4.471 . 0 0 "[ . 1 . 2 .]" 3
996 2 17 LEU HB3 2 59 ILE MD 4.000 . 5.500 2.775 2.385 3.371 . 0 0 "[ . 1 . 2 .]" 3
997 2 18 ARG HA 2 18 ARG QD 4.000 . 5.500 4.100 3.854 4.590 . 0 0 "[ . 1 . 2 .]" 3
998 2 18 ARG HA 2 21 TYR HB2 4.000 . 5.000 3.662 3.168 4.012 . 0 0 "[ . 1 . 2 .]" 3
999 2 18 ARG HA 2 21 TYR HB3 4.000 . 5.000 2.837 2.430 3.183 . 0 0 "[ . 1 . 2 .]" 3
1000 2 18 ARG QG 2 59 ILE MD 4.000 . 6.000 4.591 2.903 5.482 . 0 0 "[ . 1 . 2 .]" 3
1001 2 18 ARG QG 2 59 ILE MG 3.000 . 4.300 3.074 1.943 4.167 . 0 0 "[ . 1 . 2 .]" 3
1002 2 18 ARG QD 2 59 ILE MG 4.000 . 6.000 3.970 3.416 4.904 . 0 0 "[ . 1 . 2 .]" 3
1003 2 18 ARG HA 2 59 ILE MG 2.500 . 3.200 2.453 2.235 2.787 . 0 0 "[ . 1 . 2 .]" 3
1004 2 18 ARG HA 2 59 ILE MD 3.000 . 3.800 3.738 3.470 3.856 0.056 14 0 "[ . 1 . 2 .]" 3
1005 2 18 ARG QD 2 59 ILE MD 4.000 . 6.000 5.180 4.193 5.942 . 0 0 "[ . 1 . 2 .]" 3
1006 2 19 SER QB 2 20 ILE HG12 4.000 . 5.500 4.479 4.328 5.132 . 0 0 "[ . 1 . 2 .]" 3
1007 2 19 SER HA 2 22 ARG QD 3.000 . 3.800 3.667 3.433 3.859 0.059 11 0 "[ . 1 . 2 .]" 3
1008 2 19 SER QB 2 22 ARG QD 4.000 . 6.000 5.168 4.778 5.406 . 0 0 "[ . 1 . 2 .]" 3
1009 2 19 SER HA 2 22 ARG HG3 4.000 . 5.000 5.047 4.991 5.116 0.116 11 0 "[ . 1 . 2 .]" 3
1010 2 19 SER HA 2 22 ARG HB2 4.000 . 5.000 3.345 3.066 3.495 . 0 0 "[ . 1 . 2 .]" 3
1011 2 19 SER HA 2 22 ARG HB3 4.000 . 5.000 2.357 2.245 2.450 . 0 0 "[ . 1 . 2 .]" 3
1012 2 20 ILE HA 2 20 ILE HG13 3.000 . 3.300 2.872 2.765 2.934 . 0 0 "[ . 1 . 2 .]" 3
1013 2 20 ILE HA 2 20 ILE MG 2.500 . 3.200 2.344 2.283 2.409 . 0 0 "[ . 1 . 2 .]" 3
1014 2 20 ILE HA 2 20 ILE HG12 3.000 . 3.300 2.572 2.490 2.749 . 0 0 "[ . 1 . 2 .]" 3
1015 2 20 ILE HA 2 20 ILE MD 3.000 . 3.800 3.828 3.798 3.868 0.068 3 0 "[ . 1 . 2 .]" 3
1016 2 20 ILE HA 2 23 THR HB 3.000 . 3.300 3.035 2.525 3.280 . 0 0 "[ . 1 . 2 .]" 3
1017 2 20 ILE MG 2 23 THR HB 4.000 . 5.500 3.480 3.306 3.691 . 0 0 "[ . 1 . 2 .]" 3
1018 2 20 ILE HA 2 23 THR MG 4.000 . 5.500 4.215 3.785 4.435 . 0 0 "[ . 1 . 2 .]" 3
1019 2 20 ILE MG 2 24 ILE MD 2.500 . 3.700 2.712 2.459 2.872 . 0 0 "[ . 1 . 2 .]" 3
1020 2 20 ILE MG 2 24 ILE MG 4.000 . 6.000 4.868 4.635 5.050 . 0 0 "[ . 1 . 2 .]" 3
1021 2 20 ILE HB 2 24 ILE MD 4.000 . 5.500 4.968 4.731 5.173 . 0 0 "[ . 1 . 2 .]" 3
1022 2 20 ILE MG 2 38 ARG HB3 4.000 . 5.500 3.241 3.018 3.475 . 0 0 "[ . 1 . 2 .]" 3
1023 2 20 ILE MG 2 38 ARG QG 3.000 . 4.300 4.309 4.107 4.407 0.107 12 0 "[ . 1 . 2 .]" 3
1024 2 20 ILE MG 2 38 ARG HD3 3.000 . 3.800 2.684 2.406 3.014 . 0 0 "[ . 1 . 2 .]" 3
1025 2 20 ILE MG 2 38 ARG HD2 4.000 . 5.500 3.784 2.602 4.268 . 0 0 "[ . 1 . 2 .]" 3
1026 2 20 ILE MG 2 38 ARG HA 4.000 . 5.500 3.433 3.019 3.716 . 0 0 "[ . 1 . 2 .]" 3
1027 2 20 ILE MG 2 39 ILE HG13 4.000 . 5.500 5.469 5.250 5.549 0.049 20 0 "[ . 1 . 2 .]" 3
1028 2 20 ILE MG 2 39 ILE HA 4.000 . 5.500 4.013 3.709 4.183 . 0 0 "[ . 1 . 2 .]" 3
1029 2 20 ILE MG 2 41 GLU HB2 4.000 . 5.500 3.905 3.345 4.325 . 0 0 "[ . 1 . 2 .]" 3
1030 2 20 ILE MG 2 41 GLU HG3 4.000 . 5.500 4.197 3.755 4.896 . 0 0 "[ . 1 . 2 .]" 3
1031 2 20 ILE MG 2 41 GLU HG2 4.000 . 5.500 3.496 3.081 3.968 . 0 0 "[ . 1 . 2 .]" 3
1032 2 20 ILE MD 2 41 GLU HG2 3.000 . 3.800 2.258 2.022 2.763 . 0 0 "[ . 1 . 2 .]" 3
1033 2 20 ILE HB 2 42 PHE QD 4.000 . 5.000 2.782 2.423 3.003 . 0 0 "[ . 1 . 2 .]" 3
1034 2 20 ILE MG 2 42 PHE QD 3.000 . 3.800 2.747 2.344 3.161 . 0 0 "[ . 1 . 2 .]" 3
1035 2 20 ILE MD 2 42 PHE HA 3.000 . 3.800 3.370 3.060 3.663 . 0 0 "[ . 1 . 2 .]" 3
1036 2 20 ILE MG 2 42 PHE HA 3.000 . 3.800 3.281 2.999 3.521 . 0 0 "[ . 1 . 2 .]" 3
1037 2 20 ILE HB 2 42 PHE HA 4.000 . 6.000 4.295 3.872 4.545 . 0 0 "[ . 1 . 2 .]" 3
1038 2 20 ILE MG 2 42 PHE HB3 3.000 . 3.800 3.688 3.494 3.829 0.029 20 0 "[ . 1 . 2 .]" 3
1039 2 20 ILE MG 2 42 PHE HB2 3.000 . 3.800 2.242 2.115 2.436 . 0 0 "[ . 1 . 2 .]" 3
1040 2 20 ILE MD 2 42 PHE QD 4.000 . 5.500 3.667 3.364 3.914 . 0 0 "[ . 1 . 2 .]" 3
1041 2 20 ILE MD 2 45 LYS HD3 4.000 . 5.500 2.967 2.806 3.074 . 0 0 "[ . 1 . 2 .]" 3
1042 2 20 ILE MD 2 45 LYS HD2 3.000 . 3.800 3.909 3.842 3.966 0.166 23 0 "[ . 1 . 2 .]" 3
1043 2 20 ILE MD 2 45 LYS QE 3.000 . 4.300 2.078 1.947 2.200 . 0 0 "[ . 1 . 2 .]" 3
1044 2 20 ILE MD 2 45 LYS HG3 4.000 . 5.500 3.739 3.488 3.961 . 0 0 "[ . 1 . 2 .]" 3
1045 2 21 TYR HA 2 21 TYR QD 3.000 . 3.300 2.109 1.972 2.775 . 0 0 "[ . 1 . 2 .]" 3
1046 2 21 TYR QD 2 24 ILE MD 4.000 . 5.500 4.209 3.928 4.973 . 0 0 "[ . 1 . 2 .]" 3
1047 2 21 TYR HA 2 24 ILE HB 3.000 . 3.300 3.243 3.045 3.344 0.044 4 0 "[ . 1 . 2 .]" 3
1048 2 21 TYR HA 2 24 ILE MG 4.000 . 5.500 4.078 3.976 4.181 . 0 0 "[ . 1 . 2 .]" 3
1049 2 21 TYR HA 2 24 ILE MD 3.000 . 3.800 3.538 3.474 3.677 . 0 0 "[ . 1 . 2 .]" 3
1050 2 21 TYR QE 2 24 ILE MG 4.000 . 5.500 3.586 3.116 4.249 . 0 0 "[ . 1 . 2 .]" 3
1051 2 21 TYR QD 2 25 VAL MG2 3.000 . 3.800 3.088 2.198 3.804 0.004 10 0 "[ . 1 . 2 .]" 3
1052 2 21 TYR HA 2 25 VAL MG2 4.000 . 6.500 4.545 4.302 4.880 . 0 0 "[ . 1 . 2 .]" 3
1053 2 21 TYR QE 2 25 VAL MG2 3.000 . 3.800 2.628 2.008 3.277 . 0 0 "[ . 1 . 2 .]" 3
1054 2 21 TYR QE 2 56 VAL MG2 4.000 . 6.500 5.598 4.631 6.307 . 0 0 "[ . 1 . 2 .]" 3
1055 2 21 TYR QE 2 56 VAL MG1 4.000 . 5.500 3.571 2.461 4.494 . 0 0 "[ . 1 . 2 .]" 3
1056 2 21 TYR QD 2 59 ILE MG 3.000 . 3.800 2.186 2.037 2.761 . 0 0 "[ . 1 . 2 .]" 3
1057 2 21 TYR HA 2 59 ILE MG 4.000 . 5.500 5.474 5.121 5.588 0.088 8 0 "[ . 1 . 2 .]" 3
1058 2 21 TYR HB2 2 59 ILE MG 3.000 . 3.800 3.478 3.050 3.659 . 0 0 "[ . 1 . 2 .]" 3
1059 2 21 TYR HB3 2 59 ILE MG 3.000 . 3.800 3.335 3.087 3.601 . 0 0 "[ . 1 . 2 .]" 3
1060 2 21 TYR QE 2 59 ILE MG 4.000 . 5.500 3.491 3.106 3.905 . 0 0 "[ . 1 . 2 .]" 3
1061 2 21 TYR QD 2 60 HIS HA 4.000 . 5.000 3.954 3.641 4.228 . 0 0 "[ . 1 . 2 .]" 3
1062 2 21 TYR QE 2 60 HIS HA 3.000 . 3.300 2.450 2.146 3.379 0.079 11 0 "[ . 1 . 2 .]" 3
1063 2 21 TYR QE 2 60 HIS HB3 4.000 . 5.000 4.423 3.946 5.014 0.014 25 0 "[ . 1 . 2 .]" 3
1064 2 21 TYR QD 2 63 LEU MD1 4.000 . 5.500 3.871 2.882 4.574 . 0 0 "[ . 1 . 2 .]" 3
1065 2 21 TYR QD 2 63 LEU QB 4.000 . 6.500 3.464 2.727 4.180 . 0 0 "[ . 1 . 2 .]" 3
1066 2 21 TYR QD 2 63 LEU MD2 3.000 . 3.800 2.641 2.153 3.148 . 0 0 "[ . 1 . 2 .]" 3
1067 2 21 TYR QE 2 63 LEU MD2 3.000 . 3.800 2.747 2.079 3.514 . 0 0 "[ . 1 . 2 .]" 3
1068 2 21 TYR QE 2 63 LEU MD1 4.000 . 5.500 4.724 3.930 5.524 0.024 13 0 "[ . 1 . 2 .]" 3
1069 2 21 TYR QE 2 63 LEU QB 4.000 . 5.500 3.366 2.281 4.473 . 0 0 "[ . 1 . 2 .]" 3
1070 2 21 TYR QE 2 64 MET ME 3.000 . 3.800 3.475 2.676 3.858 0.058 13 0 "[ . 1 . 2 .]" 3
1071 2 21 TYR QE 2 87 THR MG 4.000 . 5.500 2.288 1.915 3.140 . 0 0 "[ . 1 . 2 .]" 3
1072 2 21 TYR QD 2 87 THR MG 4.000 . 5.500 3.956 3.561 4.509 . 0 0 "[ . 1 . 2 .]" 3
1073 2 21 TYR QE 2 88 LEU HA 4.000 . 5.000 3.623 3.041 4.024 . 0 0 "[ . 1 . 2 .]" 3
1074 2 21 TYR QE 2 91 VAL HB 4.000 . 5.000 3.967 3.123 4.367 . 0 0 "[ . 1 . 2 .]" 3
1075 2 21 TYR QD 2 91 VAL MG1 4.000 . 5.500 3.699 2.935 4.234 . 0 0 "[ . 1 . 2 .]" 3
1076 2 21 TYR QD 2 91 VAL MG2 4.000 . 5.500 3.113 2.386 3.726 . 0 0 "[ . 1 . 2 .]" 3
1077 2 21 TYR QE 2 91 VAL MG2 3.000 . 3.800 2.198 1.935 2.931 . 0 0 "[ . 1 . 2 .]" 3
1078 2 21 TYR QE 2 91 VAL MG1 3.000 . 3.800 3.610 2.623 3.840 0.040 5 0 "[ . 1 . 2 .]" 3
1079 2 22 ARG HA 2 22 ARG QD 3.000 . 3.800 3.361 3.025 3.760 . 0 0 "[ . 1 . 2 .]" 3
1080 2 22 ARG HA 2 22 ARG HG3 3.000 . 3.300 2.597 2.539 2.636 . 0 0 "[ . 1 . 2 .]" 3
1081 2 22 ARG HG3 2 23 THR HA 4.000 . 6.000 3.879 3.808 3.935 . 0 0 "[ . 1 . 2 .]" 3
1082 2 22 ARG HA 2 25 VAL HB 3.000 . 3.300 3.134 2.717 3.292 . 0 0 "[ . 1 . 2 .]" 3
1083 2 22 ARG HA 2 25 VAL MG2 3.000 . 3.800 3.335 2.940 3.637 . 0 0 "[ . 1 . 2 .]" 3
1084 2 22 ARG HA 2 25 VAL MG1 4.000 . 5.500 4.486 4.123 4.671 . 0 0 "[ . 1 . 2 .]" 3
1085 2 22 ARG QD 2 26 LEU MD1 3.000 . 4.300 3.408 3.000 3.791 . 0 0 "[ . 1 . 2 .]" 3
1086 2 22 ARG HG3 2 63 LEU MD2 4.000 . 5.500 4.391 3.803 4.726 . 0 0 "[ . 1 . 2 .]" 3
1087 2 22 ARG HA 2 63 LEU MD2 3.000 . 3.800 2.439 2.207 2.708 . 0 0 "[ . 1 . 2 .]" 3
1088 2 22 ARG QD 2 63 LEU MD2 3.000 . 4.300 4.026 3.497 4.331 0.031 14 0 "[ . 1 . 2 .]" 3
1089 2 22 ARG HA 2 63 LEU MD1 3.000 . 3.800 2.801 2.430 3.252 . 0 0 "[ . 1 . 2 .]" 3
1090 2 22 ARG QD 2 63 LEU MD1 2.500 . 3.700 2.666 2.129 3.123 . 0 0 "[ . 1 . 2 .]" 3
1091 2 22 ARG QD 2 63 LEU HA 4.000 . 5.500 5.386 5.047 5.571 0.071 24 0 "[ . 1 . 2 .]" 3
1092 2 22 ARG HA 2 64 MET ME 4.000 . 5.500 5.284 5.009 5.491 . 0 0 "[ . 1 . 2 .]" 3
1093 2 22 ARG HG2 2 67 PHE HZ 4.000 . 5.000 4.333 3.718 4.961 . 0 0 "[ . 1 . 2 .]" 3
1094 2 23 THR HA 2 23 THR MG 2.500 . 3.200 2.337 2.150 2.661 . 0 0 "[ . 1 . 2 .]" 3
1095 2 23 THR MG 2 24 ILE HA 4.000 . 5.500 3.702 3.077 4.070 . 0 0 "[ . 1 . 2 .]" 3
1096 2 23 THR HA 2 26 LEU HB2 3.000 . 3.300 2.108 2.084 2.145 . 0 0 "[ . 1 . 2 .]" 3
1097 2 23 THR HA 2 26 LEU MD1 3.000 . 3.800 2.305 2.121 2.585 . 0 0 "[ . 1 . 2 .]" 3
1098 2 23 THR HA 2 26 LEU HB3 3.000 . 3.300 3.504 3.460 3.554 0.254 19 0 "[ . 1 . 2 .]" 3
1099 2 23 THR HA 2 26 LEU HG 4.000 . 5.000 3.737 3.451 4.034 . 0 0 "[ . 1 . 2 .]" 3
1100 2 23 THR HA 2 26 LEU MD2 4.000 . 5.500 4.529 4.384 4.719 . 0 0 "[ . 1 . 2 .]" 3
1101 2 23 THR MG 2 26 LEU MD1 4.000 . 6.000 3.729 3.357 4.175 . 0 0 "[ . 1 . 2 .]" 3
1102 2 23 THR MG 2 27 GLU HG3 3.000 . 3.800 2.526 2.290 3.913 0.113 16 0 "[ . 1 . 2 .]" 3
1103 2 23 THR MG 2 27 GLU HG2 3.000 . 3.800 3.716 2.895 3.833 0.033 18 0 "[ . 1 . 2 .]" 3
1104 2 23 THR MG 2 38 ARG HB3 4.000 . 5.500 3.352 2.807 3.918 . 0 0 "[ . 1 . 2 .]" 3
1105 2 23 THR HB 2 38 ARG QG 4.000 . 5.500 3.897 3.431 4.646 . 0 0 "[ . 1 . 2 .]" 3
1106 2 23 THR HB 2 38 ARG HD2 4.000 . 5.000 3.471 2.255 4.307 . 0 0 "[ . 1 . 2 .]" 3
1107 2 23 THR HB 2 38 ARG HD3 4.000 . 5.000 3.550 2.269 4.566 . 0 0 "[ . 1 . 2 .]" 3
1108 2 23 THR MG 2 38 ARG QG 3.000 . 4.300 2.329 2.129 2.921 . 0 0 "[ . 1 . 2 .]" 3
1109 2 23 THR MG 2 38 ARG HD3 2.500 . 3.200 3.190 2.203 3.388 0.188 20 0 "[ . 1 . 2 .]" 3
1110 2 23 THR MG 2 38 ARG HD2 2.500 . 3.200 2.403 1.931 3.114 . 0 0 "[ . 1 . 2 .]" 3
1111 2 24 ILE HA 2 24 ILE MG 2.500 . 3.200 2.196 2.127 2.283 . 0 0 "[ . 1 . 2 .]" 3
1112 2 24 ILE HA 2 24 ILE MD 3.000 . 3.800 2.126 2.083 2.167 . 0 0 "[ . 1 . 2 .]" 3
1113 2 24 ILE HA 2 24 ILE HG12 4.000 . 5.000 3.164 2.982 3.256 . 0 0 "[ . 1 . 2 .]" 3
1114 2 24 ILE MG 2 25 VAL MG2 3.000 . 4.300 3.636 3.438 3.844 . 0 0 "[ . 1 . 2 .]" 3
1115 2 24 ILE HB 2 25 VAL MG2 4.000 . 5.500 2.892 2.698 3.066 . 0 0 "[ . 1 . 2 .]" 3
1116 2 24 ILE HA 2 27 GLU HB2 4.000 . 5.000 3.176 3.013 3.485 . 0 0 "[ . 1 . 2 .]" 3
1117 2 24 ILE MG 2 28 TYR QD 3.000 . 3.800 2.790 2.392 3.327 . 0 0 "[ . 1 . 2 .]" 3
1118 2 24 ILE MG 2 28 TYR QE 4.000 . 5.500 4.120 3.640 4.590 . 0 0 "[ . 1 . 2 .]" 3
1119 2 24 ILE HA 2 35 VAL MG2 4.000 . 5.500 4.064 3.771 4.332 . 0 0 "[ . 1 . 2 .]" 3
1120 2 24 ILE HA 2 35 VAL MG1 2.500 . 3.200 2.429 2.210 2.620 . 0 0 "[ . 1 . 2 .]" 3
1121 2 24 ILE MD 2 35 VAL MG1 4.000 . 6.000 2.199 1.978 2.462 . 0 0 "[ . 1 . 2 .]" 3
1122 2 24 ILE MG 2 35 VAL MG1 2.500 . 3.700 2.158 1.944 2.376 . 0 0 "[ . 1 . 2 .]" 3
1123 2 24 ILE HG12 2 35 VAL MG1 4.000 . 5.500 4.465 4.138 4.736 . 0 0 "[ . 1 . 2 .]" 3
1124 2 24 ILE MG 2 35 VAL MG2 3.000 . 4.300 4.058 3.793 4.314 0.014 20 0 "[ . 1 . 2 .]" 3
1125 2 24 ILE MD 2 38 ARG QG 4.000 . 6.000 3.494 3.342 3.775 . 0 0 "[ . 1 . 2 .]" 3
1126 2 24 ILE HA 2 38 ARG QG 4.000 . 5.500 4.811 4.360 5.086 . 0 0 "[ . 1 . 2 .]" 3
1127 2 24 ILE MG 2 38 ARG QG 4.000 . 6.000 5.436 5.110 5.695 . 0 0 "[ . 1 . 2 .]" 3
1128 2 24 ILE MD 2 38 ARG HB2 4.000 . 5.500 2.799 2.407 3.266 . 0 0 "[ . 1 . 2 .]" 3
1129 2 24 ILE MG 2 39 ILE HG13 3.000 . 3.800 2.910 2.672 3.136 . 0 0 "[ . 1 . 2 .]" 3
1130 2 24 ILE MG 2 39 ILE HG12 4.000 . 5.500 2.381 2.138 2.718 . 0 0 "[ . 1 . 2 .]" 3
1131 2 24 ILE MD 2 39 ILE HG12 4.000 . 5.500 2.326 2.133 2.622 . 0 0 "[ . 1 . 2 .]" 3
1132 2 24 ILE MD 2 39 ILE HA 3.000 . 3.800 2.506 2.156 2.753 . 0 0 "[ . 1 . 2 .]" 3
1133 2 24 ILE MG 2 39 ILE MD 3.000 . 4.300 2.849 2.560 3.136 . 0 0 "[ . 1 . 2 .]" 3
1134 2 24 ILE MG 2 39 ILE HA 4.000 . 5.500 3.910 3.539 4.190 . 0 0 "[ . 1 . 2 .]" 3
1135 2 24 ILE MD 2 42 PHE HB3 4.000 . 5.500 3.938 3.650 4.201 . 0 0 "[ . 1 . 2 .]" 3
1136 2 24 ILE MD 2 42 PHE HB2 4.000 . 5.500 3.433 3.086 3.645 . 0 0 "[ . 1 . 2 .]" 3
1137 2 24 ILE MD 2 42 PHE QD 4.000 . 5.500 4.449 4.081 4.763 . 0 0 "[ . 1 . 2 .]" 3
1138 2 24 ILE MG 2 87 THR MG 2.500 . 3.700 2.652 2.340 2.908 . 0 0 "[ . 1 . 2 .]" 3
1139 2 24 ILE HB 2 87 THR MG 4.000 . 5.500 3.447 3.141 3.720 . 0 0 "[ . 1 . 2 .]" 3
1140 2 24 ILE MG 2 91 VAL MG2 3.000 . 4.300 2.579 2.339 2.881 . 0 0 "[ . 1 . 2 .]" 3
1141 2 24 ILE MD 2 91 VAL MG2 3.000 . 4.300 4.101 3.677 4.314 0.014 17 0 "[ . 1 . 2 .]" 3
1142 2 25 VAL MG1 2 26 LEU MD1 4.000 . 6.000 4.918 4.721 5.102 . 0 0 "[ . 1 . 2 .]" 3
1143 2 25 VAL MG1 2 26 LEU MD2 3.000 . 4.300 3.718 3.407 4.078 . 0 0 "[ . 1 . 2 .]" 3
1144 2 25 VAL MG1 2 26 LEU HG 4.000 . 5.500 3.783 3.592 3.995 . 0 0 "[ . 1 . 2 .]" 3
1145 2 25 VAL MG1 2 26 LEU HA 4.000 . 5.500 3.596 3.391 3.808 . 0 0 "[ . 1 . 2 .]" 3
1146 2 25 VAL HA 2 28 TYR HB3 4.000 . 5.000 3.039 2.706 3.225 . 0 0 "[ . 1 . 2 .]" 3
1147 2 25 VAL HA 2 28 TYR HB2 4.000 . 5.000 2.523 2.185 3.085 . 0 0 "[ . 1 . 2 .]" 3
1148 2 25 VAL MG2 2 28 TYR HB3 4.000 . 6.500 4.731 4.438 4.925 . 0 0 "[ . 1 . 2 .]" 3
1149 2 25 VAL HB 2 63 LEU MD2 3.000 . 3.800 3.361 2.767 3.739 . 0 0 "[ . 1 . 2 .]" 3
1150 2 25 VAL MG1 2 63 LEU MD2 3.000 . 4.300 3.484 3.004 3.943 . 0 0 "[ . 1 . 2 .]" 3
1151 2 25 VAL MG2 2 63 LEU MD2 2.500 . 3.700 2.209 2.012 2.555 . 0 0 "[ . 1 . 2 .]" 3
1152 2 25 VAL MG2 2 64 MET ME 2.500 . 3.700 2.629 2.196 3.168 . 0 0 "[ . 1 . 2 .]" 3
1153 2 25 VAL MG1 2 64 MET ME 2.500 . 3.700 3.090 2.562 3.664 . 0 0 "[ . 1 . 2 .]" 3
1154 2 25 VAL HA 2 64 MET ME 4.000 . 6.500 5.461 5.007 6.029 . 0 0 "[ . 1 . 2 .]" 3
1155 2 25 VAL MG1 2 67 PHE QE 4.000 . 5.500 3.051 2.254 3.829 . 0 0 "[ . 1 . 2 .]" 3
1156 2 25 VAL MG2 2 67 PHE QE 4.000 . 5.500 3.533 2.587 4.901 . 0 0 "[ . 1 . 2 .]" 3
1157 2 25 VAL MG1 2 67 PHE HZ 4.000 . 5.500 3.506 2.765 4.371 . 0 0 "[ . 1 . 2 .]" 3
1158 2 25 VAL MG2 2 84 TYR QD 4.000 . 5.500 3.569 3.148 3.936 . 0 0 "[ . 1 . 2 .]" 3
1159 2 25 VAL MG1 2 84 TYR QD 3.000 . 3.800 2.822 2.349 3.158 . 0 0 "[ . 1 . 2 .]" 3
1160 2 25 VAL HA 2 84 TYR QE 4.000 . 5.000 4.875 3.500 5.114 0.114 19 0 "[ . 1 . 2 .]" 3
1161 2 25 VAL MG2 2 84 TYR QE 4.000 . 5.500 4.042 3.489 4.520 . 0 0 "[ . 1 . 2 .]" 3
1162 2 25 VAL MG1 2 84 TYR QE 3.000 . 3.800 2.343 2.045 2.775 . 0 0 "[ . 1 . 2 .]" 3
1163 2 25 VAL MG2 2 87 THR HB 4.000 . 5.500 3.170 2.714 3.687 . 0 0 "[ . 1 . 2 .]" 3
1164 2 25 VAL HA 2 87 THR MG 3.000 . 3.800 2.737 2.232 3.277 . 0 0 "[ . 1 . 2 .]" 3
1165 2 25 VAL MG1 2 87 THR MG 3.000 . 4.300 3.590 3.232 4.265 . 0 0 "[ . 1 . 2 .]" 3
1166 2 25 VAL MG1 2 87 THR HB 4.000 . 6.500 4.359 3.759 5.169 . 0 0 "[ . 1 . 2 .]" 3
1167 2 26 LEU HA 2 26 LEU MD2 2.500 . 3.200 2.078 1.960 2.228 . 0 0 "[ . 1 . 2 .]" 3
1168 2 26 LEU MD1 2 27 GLU HG2 4.000 . 5.500 5.419 4.162 5.661 0.161 16 0 "[ . 1 . 2 .]" 3
1169 2 26 LEU MD1 2 67 PHE QE 4.000 . 5.500 4.111 3.348 4.596 . 0 0 "[ . 1 . 2 .]" 3
1170 2 26 LEU MD1 2 67 PHE HZ 4.000 . 5.500 3.577 2.995 4.053 . 0 0 "[ . 1 . 2 .]" 3
1171 2 26 LEU HA 2 67 PHE HZ 4.000 . 6.000 5.131 4.291 5.857 . 0 0 "[ . 1 . 2 .]" 3
1172 2 26 LEU MD2 2 67 PHE HZ 3.000 . 3.800 3.571 3.243 3.793 . 0 0 "[ . 1 . 2 .]" 3
1173 2 26 LEU HG 2 67 PHE HZ 4.000 . 5.000 3.021 2.275 3.542 . 0 0 "[ . 1 . 2 .]" 3
1174 2 27 GLU HA 2 27 GLU HG2 3.000 . 3.300 2.463 2.371 3.411 0.111 16 0 "[ . 1 . 2 .]" 3
1175 2 27 GLU HA 2 27 GLU HG3 3.000 . 3.300 3.005 2.142 3.597 0.297 14 0 "[ . 1 . 2 .]" 3
1176 2 27 GLU HA 2 30 ASN HB3 3.000 . 3.300 2.084 2.044 2.155 . 0 0 "[ . 1 . 2 .]" 3
1177 2 27 GLU HA 2 30 ASN HB2 3.000 . 3.300 3.418 3.358 3.509 0.209 20 0 "[ . 1 . 2 .]" 3
1178 2 27 GLU HB3 2 33 ALA MB 3.000 . 3.800 2.092 1.953 2.228 . 0 0 "[ . 1 . 2 .]" 3
1179 2 27 GLU HB2 2 33 ALA MB 3.000 . 3.800 3.414 3.195 3.511 . 0 0 "[ . 1 . 2 .]" 3
1180 2 27 GLU HG3 2 33 ALA MB 3.000 . 3.800 3.777 2.739 3.914 0.114 18 0 "[ . 1 . 2 .]" 3
1181 2 27 GLU HA 2 33 ALA MB 3.000 . 3.800 3.489 3.128 3.721 . 0 0 "[ . 1 . 2 .]" 3
1182 2 27 GLU HG2 2 33 ALA MB 3.000 . 3.800 2.812 2.437 3.821 0.021 14 0 "[ . 1 . 2 .]" 3
1183 2 27 GLU HB2 2 35 VAL MG2 4.000 . 5.500 2.715 2.297 3.095 . 0 0 "[ . 1 . 2 .]" 3
1184 2 27 GLU HB2 2 35 VAL MG1 3.000 . 3.800 2.949 2.605 3.157 . 0 0 "[ . 1 . 2 .]" 3
1185 2 27 GLU HG3 2 35 VAL MG1 4.000 . 5.500 5.051 4.758 5.560 0.060 16 0 "[ . 1 . 2 .]" 3
1186 2 27 GLU HG2 2 35 VAL MG1 4.000 . 5.500 5.434 5.114 5.552 0.052 19 0 "[ . 1 . 2 .]" 3
1187 2 28 TYR HA 2 28 TYR QD 3.000 . 3.300 2.139 2.065 2.207 . 0 0 "[ . 1 . 2 .]" 3
1188 2 28 TYR HA 2 28 TYR QE 4.000 . 6.000 4.261 4.174 4.340 . 0 0 "[ . 1 . 2 .]" 3
1189 2 28 TYR QD 2 35 VAL HB 4.000 . 5.000 4.589 4.285 4.829 . 0 0 "[ . 1 . 2 .]" 3
1190 2 28 TYR QD 2 35 VAL MG2 3.000 . 3.800 3.867 3.814 3.916 0.116 25 0 "[ . 1 . 2 .]" 3
1191 2 28 TYR QD 2 35 VAL MG1 3.000 . 3.800 2.823 2.346 3.219 . 0 0 "[ . 1 . 2 .]" 3
1192 2 28 TYR HB3 2 35 VAL MG1 4.000 . 5.500 4.966 4.554 5.317 . 0 0 "[ . 1 . 2 .]" 3
1193 2 28 TYR HB2 2 35 VAL MG1 4.000 . 5.500 3.876 3.446 4.214 . 0 0 "[ . 1 . 2 .]" 3
1194 2 28 TYR HA 2 35 VAL MG1 2.500 . 3.200 2.709 2.147 3.124 . 0 0 "[ . 1 . 2 .]" 3
1195 2 28 TYR QE 2 35 VAL MG1 4.000 . 5.500 4.230 3.839 4.585 . 0 0 "[ . 1 . 2 .]" 3
1196 2 28 TYR HA 2 35 VAL MG2 2.500 . 3.200 2.741 2.569 2.860 . 0 0 "[ . 1 . 2 .]" 3
1197 2 28 TYR HA 2 35 VAL HB 4.000 . 5.000 4.495 4.210 4.778 . 0 0 "[ . 1 . 2 .]" 3
1198 2 28 TYR QE 2 35 VAL MG2 4.000 . 5.500 5.339 5.213 5.450 . 0 0 "[ . 1 . 2 .]" 3
1199 2 28 TYR QE 2 39 ILE MD 3.000 . 3.800 3.498 2.851 3.815 0.015 11 0 "[ . 1 . 2 .]" 3
1200 2 28 TYR QD 2 39 ILE MD 4.000 . 5.500 3.437 2.842 3.985 . 0 0 "[ . 1 . 2 .]" 3
1201 2 28 TYR QE 2 86 LEU MD1 4.000 . 5.500 4.439 3.892 5.015 . 0 0 "[ . 1 . 2 .]" 3
1202 2 28 TYR QE 2 86 LEU HB2 4.000 . 5.000 4.121 3.456 4.670 . 0 0 "[ . 1 . 2 .]" 3
1203 2 28 TYR QE 2 86 LEU HB3 4.000 . 5.000 4.122 3.818 4.458 . 0 0 "[ . 1 . 2 .]" 3
1204 2 28 TYR QE 2 86 LEU MD2 4.000 . 5.500 5.519 5.373 5.585 0.085 23 0 "[ . 1 . 2 .]" 3
1205 2 28 TYR QE 2 87 THR HA 4.000 . 5.000 3.709 3.220 4.153 . 0 0 "[ . 1 . 2 .]" 3
1206 2 28 TYR HB2 2 87 THR MG 4.000 . 5.500 3.005 2.585 3.503 . 0 0 "[ . 1 . 2 .]" 3
1207 2 28 TYR QE 2 87 THR MG 3.000 . 3.800 3.729 3.465 3.854 0.054 17 0 "[ . 1 . 2 .]" 3
1208 2 28 TYR QD 2 87 THR MG 3.000 . 3.800 3.223 2.899 3.433 . 0 0 "[ . 1 . 2 .]" 3
1209 2 28 TYR HB3 2 87 THR MG 4.000 . 5.500 3.744 3.069 4.471 . 0 0 "[ . 1 . 2 .]" 3
1210 2 28 TYR QE 2 90 ASP QB 4.000 . 5.500 3.635 3.024 4.314 . 0 0 "[ . 1 . 2 .]" 3
1211 2 29 PHE HA 2 29 PHE QD 3.000 . 3.300 2.617 2.346 2.904 . 0 0 "[ . 1 . 2 .]" 3
1212 2 29 PHE QE 2 86 LEU MD1 4.000 . 5.500 4.554 4.258 4.685 . 0 0 "[ . 1 . 2 .]" 3
1213 2 29 PHE HZ 2 86 LEU MD1 3.000 . 3.800 3.810 3.671 3.869 0.069 8 0 "[ . 1 . 2 .]" 3
1214 2 30 ASN HA 2 31 THR HA 4.000 . 5.000 4.415 4.330 4.508 . 0 0 "[ . 1 . 2 .]" 3
1215 2 30 ASN HA 2 31 THR MG 4.000 . 5.500 3.301 2.924 3.727 . 0 0 "[ . 1 . 2 .]" 3
1216 2 30 ASN HA 2 33 ALA MB 4.000 . 5.500 4.197 3.973 4.428 . 0 0 "[ . 1 . 2 .]" 3
1217 2 30 ASN HB3 2 33 ALA MB 3.000 . 3.800 2.631 2.277 2.837 . 0 0 "[ . 1 . 2 .]" 3
1218 2 30 ASN HB2 2 33 ALA MB 3.000 . 3.800 2.156 2.045 2.347 . 0 0 "[ . 1 . 2 .]" 3
1219 2 30 ASN HB2 2 33 ALA HA 4.000 . 5.000 4.658 4.276 4.873 . 0 0 "[ . 1 . 2 .]" 3
1220 2 31 THR MG 2 32 ASP HB2 4.000 . 5.500 5.273 5.104 5.475 . 0 0 "[ . 1 . 2 .]" 3
1221 2 33 ALA HA 2 34 LYS HG3 4.000 . 5.000 3.496 2.925 4.491 . 0 0 "[ . 1 . 2 .]" 3
1222 2 33 ALA MB 2 34 LYS HA 4.000 . 5.500 4.294 3.860 4.819 . 0 0 "[ . 1 . 2 .]" 3
1223 2 33 ALA MB 2 35 VAL HB 4.000 . 5.500 4.947 4.432 5.465 . 0 0 "[ . 1 . 2 .]" 3
1224 2 33 ALA MB 2 35 VAL HA 4.000 . 5.500 4.141 3.940 4.439 . 0 0 "[ . 1 . 2 .]" 3
1225 2 33 ALA MB 2 35 VAL MG1 3.000 . 4.300 4.285 4.036 4.404 0.104 15 0 "[ . 1 . 2 .]" 3
1226 2 34 LYS HB3 2 34 LYS QE 3.000 . 3.800 3.318 2.450 3.827 0.027 3 0 "[ . 1 . 2 .]" 3
1227 2 34 LYS HA 2 34 LYS QD 3.000 . 3.800 3.799 3.445 4.032 0.232 21 0 "[ . 1 . 2 .]" 3
1228 2 34 LYS QD 2 37 GLU QG 4.000 . 6.000 4.127 3.375 5.463 . 0 0 "[ . 1 . 2 .]" 3
1229 2 34 LYS HG3 2 37 GLU QG 4.000 . 6.500 5.190 4.368 5.866 . 0 0 "[ . 1 . 2 .]" 3
1230 2 34 LYS HG2 2 37 GLU QG 4.000 . 5.500 4.415 2.915 5.496 . 0 0 "[ . 1 . 2 .]" 3
1231 2 34 LYS QE 2 37 GLU HA 4.000 . 5.500 5.284 4.819 5.571 0.071 24 0 "[ . 1 . 2 .]" 3
1232 2 34 LYS HA 2 37 GLU QG 4.000 . 5.500 4.534 3.916 5.433 . 0 0 "[ . 1 . 2 .]" 3
1233 2 35 VAL MG2 2 36 ASN HA 4.000 . 5.500 5.223 5.191 5.256 . 0 0 "[ . 1 . 2 .]" 3
1234 2 35 VAL MG2 2 36 ASN HB3 4.000 . 5.500 5.596 5.544 5.634 0.134 4 0 "[ . 1 . 2 .]" 3
1235 2 35 VAL MG2 2 36 ASN HB2 4.000 . 5.500 5.221 5.038 5.354 . 0 0 "[ . 1 . 2 .]" 3
1236 2 35 VAL HA 2 38 ARG HB3 3.000 . 3.300 3.525 3.467 3.576 0.276 7 0 "[ . 1 . 2 .]" 3
1237 2 35 VAL HA 2 38 ARG QG 3.000 . 3.800 2.972 2.607 3.336 . 0 0 "[ . 1 . 2 .]" 3
1238 2 35 VAL MG2 2 38 ARG HD2 4.000 . 6.500 6.477 5.949 6.606 0.106 24 0 "[ . 1 . 2 .]" 3
1239 2 35 VAL MG1 2 39 ILE HG13 3.000 . 3.800 2.093 1.980 2.312 . 0 0 "[ . 1 . 2 .]" 3
1240 2 35 VAL MG1 2 39 ILE MD 3.000 . 4.300 2.122 1.956 2.319 . 0 0 "[ . 1 . 2 .]" 3
1241 2 35 VAL MG2 2 39 ILE HG13 4.000 . 5.500 4.568 4.377 4.770 . 0 0 "[ . 1 . 2 .]" 3
1242 2 35 VAL MG2 2 39 ILE MD 3.000 . 4.300 3.955 3.729 4.168 . 0 0 "[ . 1 . 2 .]" 3
1243 2 36 ASN HA 2 39 ILE HB 3.000 . 3.300 2.436 2.303 2.537 . 0 0 "[ . 1 . 2 .]" 3
1244 2 36 ASN HA 2 39 ILE MG 3.000 . 3.800 3.844 3.788 3.905 0.105 24 0 "[ . 1 . 2 .]" 3
1245 2 36 ASN HB2 2 39 ILE MD 4.000 . 5.500 4.156 3.940 4.473 . 0 0 "[ . 1 . 2 .]" 3
1246 2 36 ASN HA 2 39 ILE MD 3.000 . 3.800 2.673 2.341 3.010 . 0 0 "[ . 1 . 2 .]" 3
1247 2 36 ASN HB3 2 39 ILE MD 4.000 . 5.500 5.086 4.864 5.372 . 0 0 "[ . 1 . 2 .]" 3
1248 2 37 GLU HA 2 37 GLU QG 2.500 . 3.200 2.622 2.220 2.943 . 0 0 "[ . 1 . 2 .]" 3
1249 2 37 GLU HA 2 40 ASP HB3 2.500 . 2.700 2.662 2.481 2.747 0.047 3 0 "[ . 1 . 2 .]" 3
1250 2 37 GLU HA 2 40 ASP HB2 3.000 . 3.300 2.887 2.730 3.091 . 0 0 "[ . 1 . 2 .]" 3
1251 2 38 ARG HA 2 38 ARG HD3 3.000 . 3.300 2.353 2.119 3.415 0.115 19 0 "[ . 1 . 2 .]" 3
1252 2 38 ARG HA 2 38 ARG HD2 3.000 . 3.300 3.480 3.308 3.598 0.298 24 0 "[ . 1 . 2 .]" 3
1253 2 38 ARG HA 2 38 ARG QG 3.000 . 3.800 2.603 2.337 2.783 . 0 0 "[ . 1 . 2 .]" 3
1254 2 39 ILE HA 2 39 ILE MG 3.000 . 3.800 2.378 2.325 2.445 . 0 0 "[ . 1 . 2 .]" 3
1255 2 39 ILE HA 2 39 ILE HG13 4.000 . 5.000 2.865 2.800 2.939 . 0 0 "[ . 1 . 2 .]" 3
1256 2 39 ILE HA 2 39 ILE HG12 4.000 . 5.000 2.510 2.463 2.573 . 0 0 "[ . 1 . 2 .]" 3
1257 2 39 ILE HA 2 39 ILE MD 3.000 . 3.800 3.801 3.780 3.824 0.024 7 0 "[ . 1 . 2 .]" 3
1258 2 39 ILE MG 2 40 ASP HA 4.000 . 5.500 3.493 3.266 3.666 . 0 0 "[ . 1 . 2 .]" 3
1259 2 39 ILE MG 2 40 ASP HB3 4.000 . 6.500 5.344 5.165 5.455 . 0 0 "[ . 1 . 2 .]" 3
1260 2 39 ILE HA 2 42 PHE HB3 4.000 . 5.000 2.638 2.438 2.899 . 0 0 "[ . 1 . 2 .]" 3
1261 2 39 ILE HA 2 42 PHE HB2 4.000 . 5.000 3.226 3.026 3.541 . 0 0 "[ . 1 . 2 .]" 3
1262 2 39 ILE MG 2 43 VAL MG2 2.500 . 3.700 1.940 1.802 2.199 . 0 0 "[ . 1 . 2 .]" 3
1263 2 39 ILE MG 2 43 VAL MG1 4.000 . 6.000 3.913 3.576 4.207 . 0 0 "[ . 1 . 2 .]" 3
1264 2 39 ILE MG 2 91 VAL HA 3.000 . 3.800 3.706 3.360 3.842 0.042 12 0 "[ . 1 . 2 .]" 3
1265 2 39 ILE MD 2 91 VAL HA 4.000 . 5.500 4.545 4.138 4.900 . 0 0 "[ . 1 . 2 .]" 3
1266 2 39 ILE HG12 2 91 VAL MG2 4.000 . 5.500 3.859 3.436 4.103 . 0 0 "[ . 1 . 2 .]" 3
1267 2 39 ILE HG13 2 91 VAL MG2 4.000 . 5.500 5.275 4.915 5.518 0.018 22 0 "[ . 1 . 2 .]" 3
1268 2 39 ILE MG 2 91 VAL MG2 3.000 . 4.300 3.911 3.397 4.201 . 0 0 "[ . 1 . 2 .]" 3
1269 2 39 ILE MD 2 91 VAL MG1 4.000 . 6.000 5.120 4.671 5.466 . 0 0 "[ . 1 . 2 .]" 3
1270 2 39 ILE MG 2 91 VAL MG1 4.000 . 6.000 3.752 3.418 4.043 . 0 0 "[ . 1 . 2 .]" 3
1271 2 39 ILE MD 2 91 VAL MG2 3.000 . 4.300 4.114 3.485 4.313 0.013 23 0 "[ . 1 . 2 .]" 3
1272 2 39 ILE MG 2 94 HIS QB 3.000 . 4.300 2.670 2.246 3.247 . 0 0 "[ . 1 . 2 .]" 3
1273 2 40 ASP HA 2 43 VAL HB 3.000 . 3.300 2.304 2.180 2.479 . 0 0 "[ . 1 . 2 .]" 3
1274 2 40 ASP HA 2 43 VAL MG2 3.000 . 3.800 3.339 3.075 3.688 . 0 0 "[ . 1 . 2 .]" 3
1275 2 40 ASP HA 2 43 VAL MG1 4.000 . 5.500 3.570 3.434 3.766 . 0 0 "[ . 1 . 2 .]" 3
1276 2 40 ASP HB2 2 43 VAL MG2 4.000 . 5.500 5.169 4.946 5.463 . 0 0 "[ . 1 . 2 .]" 3
1277 2 41 GLU HA 2 44 SER HB2 3.000 . 3.300 3.075 2.564 3.389 0.089 24 0 "[ . 1 . 2 .]" 3
1278 2 41 GLU HG2 2 45 LYS QE 3.000 . 3.800 3.744 2.701 3.887 0.087 25 0 "[ . 1 . 2 .]" 3
1279 2 41 GLU HG3 2 45 LYS QE 3.000 . 3.800 3.354 2.837 3.884 0.084 14 0 "[ . 1 . 2 .]" 3
1280 2 42 PHE HA 2 42 PHE QD 4.000 . 5.000 2.902 2.777 3.055 . 0 0 "[ . 1 . 2 .]" 3
1281 2 42 PHE QD 2 43 VAL MG2 4.000 . 5.500 2.830 2.540 3.103 . 0 0 "[ . 1 . 2 .]" 3
1282 2 42 PHE QD 2 43 VAL MG1 4.000 . 5.500 4.740 4.579 4.897 . 0 0 "[ . 1 . 2 .]" 3
1283 2 42 PHE HA 2 45 LYS HB3 4.000 . 6.000 4.724 4.531 4.944 . 0 0 "[ . 1 . 2 .]" 3
1284 2 42 PHE HZ 2 56 VAL MG2 3.000 . 3.800 2.269 2.071 2.827 . 0 0 "[ . 1 . 2 .]" 3
1285 2 42 PHE HZ 2 56 VAL MG1 4.000 . 5.500 2.193 1.982 2.689 . 0 0 "[ . 1 . 2 .]" 3
1286 2 42 PHE HZ 2 59 ILE MG 4.000 . 5.500 4.314 3.625 4.723 . 0 0 "[ . 1 . 2 .]" 3
1287 2 42 PHE QD 2 91 VAL MG1 4.000 . 5.500 2.754 2.509 3.114 . 0 0 "[ . 1 . 2 .]" 3
1288 2 42 PHE QE 2 91 VAL MG1 4.000 . 5.500 2.194 1.929 2.753 . 0 0 "[ . 1 . 2 .]" 3
1289 2 42 PHE HZ 2 91 VAL MG1 4.000 . 5.500 3.098 2.733 3.513 . 0 0 "[ . 1 . 2 .]" 3
1290 2 43 VAL MG2 2 44 SER HA 4.000 . 5.500 5.396 5.352 5.459 . 0 0 "[ . 1 . 2 .]" 3
1291 2 43 VAL HA 2 46 ALA MB 3.000 . 3.800 2.899 2.639 3.114 . 0 0 "[ . 1 . 2 .]" 3
1292 2 43 VAL MG2 2 46 ALA MB 4.000 . 6.000 4.261 4.078 4.418 . 0 0 "[ . 1 . 2 .]" 3
1293 2 43 VAL MG2 2 91 VAL HA 4.000 . 5.500 4.418 4.034 4.685 . 0 0 "[ . 1 . 2 .]" 3
1294 2 43 VAL MG2 2 91 VAL MG1 3.000 . 4.300 3.681 3.319 3.944 . 0 0 "[ . 1 . 2 .]" 3
1295 2 43 VAL MG1 2 94 HIS QB 4.000 . 6.000 4.005 3.704 4.482 . 0 0 "[ . 1 . 2 .]" 3
1296 2 43 VAL MG2 2 94 HIS QB 3.000 . 4.300 2.460 2.106 2.807 . 0 0 "[ . 1 . 2 .]" 3
1297 2 43 VAL MG2 2 94 HIS HA 4.000 . 5.500 4.400 3.949 4.730 . 0 0 "[ . 1 . 2 .]" 3
1298 2 43 VAL MG1 2 94 HIS HA 4.000 . 5.500 5.280 4.865 5.517 0.017 24 0 "[ . 1 . 2 .]" 3
1299 2 43 VAL HB 2 95 LEU HA 4.000 . 5.000 4.326 4.008 4.781 . 0 0 "[ . 1 . 2 .]" 3
1300 2 43 VAL MG2 2 95 LEU HA 3.000 . 3.800 2.305 2.073 2.942 . 0 0 "[ . 1 . 2 .]" 3
1301 2 43 VAL MG1 2 98 MET ME 2.500 . 3.700 1.903 1.779 2.010 0.021 13 0 "[ . 1 . 2 .]" 3
1302 2 43 VAL MG2 2 98 MET ME 3.000 . 4.300 4.129 3.982 4.294 . 0 0 "[ . 1 . 2 .]" 3
1303 2 44 SER HA 2 47 PHE QB 4.000 . 5.500 2.560 2.147 3.143 . 0 0 "[ . 1 . 2 .]" 3
1304 2 44 SER HA 2 48 PHE QD 4.000 . 5.000 5.126 5.081 5.189 0.189 3 0 "[ . 1 . 2 .]" 3
1305 2 44 SER HB3 2 98 MET ME 3.000 . 3.800 3.951 3.892 3.996 0.196 16 0 "[ . 1 . 2 .]" 3
1306 2 45 LYS HA 2 45 LYS HD3 4.000 . 5.000 4.688 4.598 4.735 . 0 0 "[ . 1 . 2 .]" 3
1307 2 45 LYS HA 2 45 LYS HD2 4.000 . 5.000 4.034 3.848 4.135 . 0 0 "[ . 1 . 2 .]" 3
1308 2 45 LYS HA 2 45 LYS HG2 3.000 . 3.300 2.276 2.202 2.329 . 0 0 "[ . 1 . 2 .]" 3
1309 2 45 LYS HA 2 45 LYS HG3 3.000 . 3.300 3.162 3.066 3.276 . 0 0 "[ . 1 . 2 .]" 3
1310 2 45 LYS HB2 2 45 LYS QE 4.000 . 5.500 2.093 2.021 2.229 . 0 0 "[ . 1 . 2 .]" 3
1311 2 45 LYS HB3 2 45 LYS QE 3.000 . 3.800 2.130 2.048 2.162 . 0 0 "[ . 1 . 2 .]" 3
1312 2 45 LYS HA 2 48 PHE QB 3.000 . 3.800 2.292 2.029 3.826 0.026 19 0 "[ . 1 . 2 .]" 3
1313 2 46 ALA MB 2 47 PHE HA 4.000 . 5.500 3.812 3.731 3.891 . 0 0 "[ . 1 . 2 .]" 3
1314 2 46 ALA HA 2 49 ALA MB 3.000 . 3.800 3.243 2.896 3.570 . 0 0 "[ . 1 . 2 .]" 3
1315 2 46 ALA MB 2 49 ALA MB 4.000 . 6.000 4.504 4.247 4.776 . 0 0 "[ . 1 . 2 .]" 3
1316 2 46 ALA MB 2 51 ILE MD 3.000 . 4.300 3.019 2.665 3.501 . 0 0 "[ . 1 . 2 .]" 3
1317 2 46 ALA HA 2 51 ILE MD 3.000 . 3.800 2.192 2.034 2.675 . 0 0 "[ . 1 . 2 .]" 3
1318 2 46 ALA HA 2 51 ILE HG13 4.000 . 5.000 2.175 2.121 2.323 . 0 0 "[ . 1 . 2 .]" 3
1319 2 46 ALA MB 2 51 ILE HG13 4.000 . 5.500 3.657 3.394 3.768 . 0 0 "[ . 1 . 2 .]" 3
1320 2 46 ALA HA 2 51 ILE HG12 4.000 . 5.000 3.730 3.606 3.928 . 0 0 "[ . 1 . 2 .]" 3
1321 2 46 ALA MB 2 51 ILE HG12 4.000 . 5.500 4.817 4.653 4.893 . 0 0 "[ . 1 . 2 .]" 3
1322 2 46 ALA MB 2 51 ILE HB 3.000 . 3.800 2.721 2.301 3.017 . 0 0 "[ . 1 . 2 .]" 3
1323 2 46 ALA MB 2 51 ILE HA 4.000 . 5.500 5.301 4.994 5.548 0.048 8 0 "[ . 1 . 2 .]" 3
1324 2 46 ALA HA 2 51 ILE MG 4.000 . 5.500 3.360 3.052 3.977 . 0 0 "[ . 1 . 2 .]" 3
1325 2 46 ALA HA 2 51 ILE HB 4.000 . 5.000 2.564 2.202 3.229 . 0 0 "[ . 1 . 2 .]" 3
1326 2 46 ALA MB 2 56 VAL MG2 3.000 . 4.300 3.048 2.766 3.427 . 0 0 "[ . 1 . 2 .]" 3
1327 2 46 ALA MB 2 95 LEU MD2 3.000 . 4.300 3.001 2.106 4.155 . 0 0 "[ . 1 . 2 .]" 3
1328 2 46 ALA MB 2 95 LEU MD1 2.500 . 3.700 2.663 1.941 3.218 . 0 0 "[ . 1 . 2 .]" 3
1329 2 47 PHE HA 2 47 PHE QD 4.000 . 5.000 2.601 2.098 3.210 . 0 0 "[ . 1 . 2 .]" 3
1330 2 47 PHE QD 2 48 PHE HA 4.000 . 5.000 3.421 2.372 4.310 . 0 0 "[ . 1 . 2 .]" 3
1331 2 47 PHE QD 2 95 LEU MD1 4.000 . 5.500 4.370 3.557 4.876 . 0 0 "[ . 1 . 2 .]" 3
1332 2 47 PHE HA 2 95 LEU MD1 3.000 . 3.800 3.800 3.542 3.932 0.132 12 0 "[ . 1 . 2 .]" 3
1333 2 47 PHE QB 2 95 LEU MD2 4.000 . 6.000 5.166 4.437 5.951 . 0 0 "[ . 1 . 2 .]" 3
1334 2 47 PHE QD 2 98 MET ME 4.000 . 5.500 2.909 2.124 3.505 . 0 0 "[ . 1 . 2 .]" 3
1335 2 47 PHE QE 2 98 MET ME 4.000 . 5.500 4.142 3.436 4.548 . 0 0 "[ . 1 . 2 .]" 3
1336 2 47 PHE HA 2 98 MET ME 4.000 . 5.500 5.007 4.376 5.511 0.011 22 0 "[ . 1 . 2 .]" 3
1337 2 47 PHE QB 2 98 MET ME 4.000 . 6.000 2.589 2.044 3.098 . 0 0 "[ . 1 . 2 .]" 3
1338 2 47 PHE QD 2 99 TYR QE 4.000 . 5.000 2.262 2.166 2.516 . 0 0 "[ . 1 . 2 .]" 3
1339 2 47 PHE HA 2 99 TYR QE 4.000 . 5.000 3.058 2.676 3.744 . 0 0 "[ . 1 . 2 .]" 3
1340 2 48 PHE HA 2 48 PHE QD 3.000 . 3.300 2.887 2.663 3.303 0.003 19 0 "[ . 1 . 2 .]" 3
1341 2 48 PHE HA 2 49 ALA MB 4.000 . 5.500 5.011 4.963 5.062 . 0 0 "[ . 1 . 2 .]" 3
1342 2 48 PHE QB 2 49 ALA MB 4.000 . 6.000 3.596 3.369 4.580 . 0 0 "[ . 1 . 2 .]" 3
1343 2 49 ALA MB 2 51 ILE MD 3.000 . 4.300 2.179 1.956 2.308 . 0 0 "[ . 1 . 2 .]" 3
1344 2 49 ALA MB 2 51 ILE HG12 3.000 . 3.800 2.128 2.103 2.222 . 0 0 "[ . 1 . 2 .]" 3
1345 2 49 ALA MB 2 51 ILE MG 2.500 . 3.700 3.879 3.752 3.953 0.253 13 0 "[ . 1 . 2 .]" 3
1346 2 49 ALA MB 2 51 ILE HG13 3.000 . 3.800 2.115 1.956 2.400 . 0 0 "[ . 1 . 2 .]" 3
1347 2 49 ALA MB 2 51 ILE HB 4.000 . 5.500 4.077 3.896 4.303 . 0 0 "[ . 1 . 2 .]" 3
1348 2 49 ALA MB 2 51 ILE HA 4.000 . 5.500 4.096 3.963 4.218 . 0 0 "[ . 1 . 2 .]" 3
1349 2 50 ASP HA 2 99 TYR QE 4.000 . 6.000 5.515 4.424 6.031 0.031 2 0 "[ . 1 . 2 .]" 3
1350 2 51 ILE HA 2 51 ILE MD 2.500 . 3.200 3.418 3.351 3.494 0.294 16 0 "[ . 1 . 2 .]" 3
1351 2 51 ILE HA 2 51 ILE MG 2.500 . 3.200 2.340 2.267 2.384 . 0 0 "[ . 1 . 2 .]" 3
1352 2 51 ILE HB 2 51 ILE MD 3.000 . 3.800 2.620 2.534 2.693 . 0 0 "[ . 1 . 2 .]" 3
1353 2 51 ILE MG 2 52 SER HA 4.000 . 5.500 3.852 3.669 4.048 . 0 0 "[ . 1 . 2 .]" 3
1354 2 51 ILE MD 2 55 GLN HB3 4.000 . 5.500 3.812 3.416 4.395 . 0 0 "[ . 1 . 2 .]" 3
1355 2 51 ILE MD 2 55 GLN QG 4.000 . 6.000 3.813 3.319 4.470 . 0 0 "[ . 1 . 2 .]" 3
1356 2 51 ILE MD 2 55 GLN HB2 4.000 . 5.500 3.838 3.520 4.294 . 0 0 "[ . 1 . 2 .]" 3
1357 2 51 ILE MG 2 55 GLN HB2 3.000 . 3.800 2.037 1.941 2.176 . 0 0 "[ . 1 . 2 .]" 3
1358 2 51 ILE HB 2 55 GLN HB2 4.000 . 5.000 4.568 4.434 4.735 . 0 0 "[ . 1 . 2 .]" 3
1359 2 51 ILE MG 2 55 GLN QG 3.000 . 4.300 2.332 2.061 2.646 . 0 0 "[ . 1 . 2 .]" 3
1360 2 51 ILE MG 2 55 GLN HB3 3.000 . 3.800 2.780 2.651 3.002 . 0 0 "[ . 1 . 2 .]" 3
1361 2 51 ILE MD 2 56 VAL MG2 2.500 . 3.700 3.802 3.749 3.862 0.162 8 0 "[ . 1 . 2 .]" 3
1362 2 51 ILE MG 2 56 VAL MG2 2.500 . 3.700 2.837 2.709 2.991 . 0 0 "[ . 1 . 2 .]" 3
1363 2 51 ILE MG 2 95 LEU MD2 4.000 . 6.000 5.078 4.211 5.863 . 0 0 "[ . 1 . 2 .]" 3
1364 2 52 SER HA 2 53 VAL MG2 4.000 . 5.500 3.759 3.577 3.887 . 0 0 "[ . 1 . 2 .]" 3
1365 2 52 SER HB3 2 55 GLN QG 4.000 . 5.500 2.806 2.259 3.948 . 0 0 "[ . 1 . 2 .]" 3
1366 2 52 SER HB2 2 55 GLN QG 4.000 . 5.500 3.612 2.166 4.253 . 0 0 "[ . 1 . 2 .]" 3
1367 2 53 VAL MG1 2 54 SER QB 4.000 . 6.000 4.529 4.308 4.918 . 0 0 "[ . 1 . 2 .]" 3
1368 2 53 VAL MG1 2 54 SER HA 4.000 . 5.500 3.543 3.370 3.683 . 0 0 "[ . 1 . 2 .]" 3
1369 2 53 VAL HA 2 56 VAL MG1 4.000 . 5.500 4.731 4.467 4.904 . 0 0 "[ . 1 . 2 .]" 3
1370 2 53 VAL MG1 2 57 LEU HG 3.000 . 3.800 2.797 2.397 2.938 . 0 0 "[ . 1 . 2 .]" 3
1371 2 53 VAL MG1 2 57 LEU MD1 2.500 . 3.700 2.529 2.197 2.831 . 0 0 "[ . 1 . 2 .]" 3
1372 2 53 VAL MG2 2 92 ILE HA 4.000 . 5.500 4.620 4.362 4.823 . 0 0 "[ . 1 . 2 .]" 3
1373 2 53 VAL MG2 2 92 ILE MD 3.000 . 4.300 3.887 3.533 4.192 . 0 0 "[ . 1 . 2 .]" 3
1374 2 53 VAL MG2 2 92 ILE HB 4.000 . 5.500 3.458 3.035 5.136 . 0 0 "[ . 1 . 2 .]" 3
1375 2 53 VAL MG1 2 92 ILE MG 3.000 . 4.300 2.282 1.952 2.492 . 0 0 "[ . 1 . 2 .]" 3
1376 2 53 VAL MG2 2 92 ILE MG 2.500 . 3.700 3.633 2.258 3.787 0.087 17 0 "[ . 1 . 2 .]" 3
1377 2 53 VAL HA 2 92 ILE MG 4.000 . 5.500 3.612 3.342 3.838 . 0 0 "[ . 1 . 2 .]" 3
1378 2 53 VAL HB 2 92 ILE MD 4.000 . 5.500 5.014 4.571 5.379 . 0 0 "[ . 1 . 2 .]" 3
1379 2 56 VAL MG1 2 92 ILE MD 3.000 . 4.300 4.068 3.128 4.368 0.068 19 0 "[ . 1 . 2 .]" 3
1380 2 53 VAL MG2 2 95 LEU MD2 3.000 . 4.300 3.225 2.985 3.501 . 0 0 "[ . 1 . 2 .]" 3
1381 2 53 VAL MG2 2 99 TYR QD 4.000 . 5.500 4.784 4.528 5.065 . 0 0 "[ . 1 . 2 .]" 3
1382 2 53 VAL MG2 2 99 TYR QE 3.000 . 3.800 3.644 3.379 3.869 0.069 8 0 "[ . 1 . 2 .]" 3
1383 2 54 SER HA 2 55 GLN QG 4.000 . 5.500 5.255 5.186 5.316 . 0 0 "[ . 1 . 2 .]" 3
1384 2 54 SER HA 2 55 GLN HA 4.000 . 5.000 4.822 4.792 4.838 . 0 0 "[ . 1 . 2 .]" 3
1385 2 54 SER QB 2 57 LEU HG 4.000 . 5.500 4.083 3.983 4.224 . 0 0 "[ . 1 . 2 .]" 3
1386 2 54 SER QB 2 57 LEU MD1 2.500 . 3.700 3.499 3.250 3.732 0.032 21 0 "[ . 1 . 2 .]" 3
1387 2 54 SER HA 2 57 LEU MD1 3.000 . 3.800 2.340 2.155 2.558 . 0 0 "[ . 1 . 2 .]" 3
1388 2 54 SER QB 2 57 LEU HB2 3.000 . 3.800 3.827 3.742 3.879 0.079 23 0 "[ . 1 . 2 .]" 3
1389 2 54 SER HA 2 57 LEU HB3 4.000 . 5.000 3.993 3.916 4.070 . 0 0 "[ . 1 . 2 .]" 3
1390 2 54 SER HA 2 57 LEU HB2 4.000 . 5.000 2.695 2.610 2.766 . 0 0 "[ . 1 . 2 .]" 3
1391 2 55 GLN HA 2 55 GLN QG 2.500 . 3.200 2.824 2.716 2.945 . 0 0 "[ . 1 . 2 .]" 3
1392 2 55 GLN HB2 2 56 VAL MG2 4.000 . 5.500 3.264 3.026 3.561 . 0 0 "[ . 1 . 2 .]" 3
1393 2 56 VAL HA 2 56 VAL MG1 2.500 . 3.200 2.345 2.254 2.428 . 0 0 "[ . 1 . 2 .]" 3
1394 2 56 VAL HA 2 56 VAL MG2 2.500 . 3.200 2.261 2.151 2.408 . 0 0 "[ . 1 . 2 .]" 3
1395 2 56 VAL MG1 2 57 LEU HG 4.000 . 5.500 4.507 4.291 4.700 . 0 0 "[ . 1 . 2 .]" 3
1396 2 56 VAL MG1 2 57 LEU HA 4.000 . 5.500 3.593 3.412 3.858 . 0 0 "[ . 1 . 2 .]" 3
1397 2 56 VAL HA 2 59 ILE HG13 4.000 . 5.000 3.168 2.188 3.655 . 0 0 "[ . 1 . 2 .]" 3
1398 2 56 VAL HA 2 59 ILE MG 4.000 . 5.500 4.016 3.702 4.295 . 0 0 "[ . 1 . 2 .]" 3
1399 2 56 VAL HA 2 59 ILE MD 3.000 . 3.800 2.531 2.215 3.872 0.072 2 0 "[ . 1 . 2 .]" 3
1400 2 56 VAL HA 2 59 ILE HB 3.000 . 3.300 2.612 2.319 2.893 . 0 0 "[ . 1 . 2 .]" 3
1401 2 56 VAL HA 2 59 ILE HG12 4.000 . 5.000 4.532 3.283 4.957 . 0 0 "[ . 1 . 2 .]" 3
1402 2 56 VAL MG1 2 88 LEU MD1 4.000 . 6.000 3.742 2.936 4.420 . 0 0 "[ . 1 . 2 .]" 3
1403 2 56 VAL HB 2 92 ILE MG 4.000 . 5.500 2.698 2.345 4.548 . 0 0 "[ . 1 . 2 .]" 3
1404 2 56 VAL MG1 2 92 ILE MG 3.000 . 4.300 2.282 1.906 4.207 . 0 0 "[ . 1 . 2 .]" 3
1405 2 56 VAL MG2 2 92 ILE MG 3.000 . 4.300 3.059 2.392 4.334 0.034 23 0 "[ . 1 . 2 .]" 3
1406 2 56 VAL HB 2 95 LEU MD2 4.000 . 5.500 4.603 4.192 5.056 . 0 0 "[ . 1 . 2 .]" 3
1407 2 57 LEU HA 2 57 LEU MD2 2.500 . 3.200 1.921 1.911 1.940 . 0 0 "[ . 1 . 2 .]" 3
1408 2 57 LEU HA 2 57 LEU HG 3.000 . 3.300 3.332 3.289 3.379 0.079 4 0 "[ . 1 . 2 .]" 3
1409 2 57 LEU HA 2 60 HIS HB3 3.000 . 3.300 2.710 2.380 3.000 . 0 0 "[ . 1 . 2 .]" 3
1410 2 57 LEU MD2 2 60 HIS HB3 4.000 . 5.500 3.877 3.581 4.116 . 0 0 "[ . 1 . 2 .]" 3
1411 2 57 LEU HA 2 60 HIS HB2 4.000 . 5.000 3.188 2.929 3.411 . 0 0 "[ . 1 . 2 .]" 3
1412 2 57 LEU MD2 2 60 HIS HB2 4.000 . 6.500 3.959 3.742 4.187 . 0 0 "[ . 1 . 2 .]" 3
1413 2 57 LEU MD2 2 60 HIS HD2 4.000 . 5.500 4.843 4.529 5.397 . 0 0 "[ . 1 . 2 .]" 3
1414 2 57 LEU HA 2 61 VAL MG2 4.000 . 5.500 3.851 3.670 4.042 . 0 0 "[ . 1 . 2 .]" 3
1415 2 57 LEU HG 2 88 LEU MD2 4.000 . 5.500 4.610 4.215 5.357 . 0 0 "[ . 1 . 2 .]" 3
1416 2 57 LEU MD2 2 88 LEU MD1 2.500 . 3.700 2.216 2.076 2.445 . 0 0 "[ . 1 . 2 .]" 3
1417 2 57 LEU HA 2 88 LEU MD1 3.000 . 3.800 3.008 2.545 3.643 . 0 0 "[ . 1 . 2 .]" 3
1418 2 57 LEU HG 2 88 LEU MD1 4.000 . 5.500 4.782 4.560 5.027 . 0 0 "[ . 1 . 2 .]" 3
1419 2 57 LEU HA 2 88 LEU MD2 3.000 . 3.800 2.964 2.722 3.375 . 0 0 "[ . 1 . 2 .]" 3
1420 2 57 LEU HB3 2 88 LEU MD1 4.000 . 5.500 4.114 3.619 4.768 . 0 0 "[ . 1 . 2 .]" 3
1421 2 58 GLU HA 2 58 GLU HG2 3.000 . 3.300 2.470 2.270 3.001 . 0 0 "[ . 1 . 2 .]" 3
1422 2 58 GLU HA 2 58 GLU HG3 3.000 . 3.300 3.090 2.928 3.587 0.287 15 0 "[ . 1 . 2 .]" 3
1423 2 58 GLU HA 2 61 VAL HB 3.000 . 3.300 2.647 2.512 2.754 . 0 0 "[ . 1 . 2 .]" 3
1424 2 58 GLU HA 2 61 VAL MG2 2.500 . 3.200 2.165 2.135 2.307 . 0 0 "[ . 1 . 2 .]" 3
1425 2 58 GLU HA 2 61 VAL MG1 3.000 . 3.800 3.917 3.865 3.957 0.157 13 0 "[ . 1 . 2 .]" 3
1426 2 59 ILE HA 2 59 ILE MG 2.500 . 3.200 2.373 2.271 2.433 . 0 0 "[ . 1 . 2 .]" 3
1427 2 59 ILE HA 2 59 ILE HG12 3.000 . 3.300 2.504 2.410 2.630 . 0 0 "[ . 1 . 2 .]" 3
1428 2 59 ILE HA 2 59 ILE MD 3.000 . 3.800 3.748 2.544 3.823 0.023 5 0 "[ . 1 . 2 .]" 3
1429 2 59 ILE HA 2 62 GLU HB3 3.000 . 3.300 2.629 2.492 2.683 . 0 0 "[ . 1 . 2 .]" 3
1430 2 59 ILE HA 2 62 GLU HB2 3.000 . 3.300 3.333 3.247 3.379 0.079 17 0 "[ . 1 . 2 .]" 3
1431 2 59 ILE HA 2 62 GLU HG2 4.000 . 5.000 5.001 4.818 5.041 0.041 20 0 "[ . 1 . 2 .]" 3
1432 2 59 ILE HA 2 62 GLU HG3 4.000 . 6.000 5.286 5.219 5.346 . 0 0 "[ . 1 . 2 .]" 3
1433 2 60 HIS HB3 2 60 HIS HD2 4.000 . 5.000 2.758 2.740 2.790 . 0 0 "[ . 1 . 2 .]" 3
1434 2 60 HIS HB2 2 60 HIS HD2 4.000 . 5.000 3.786 3.709 3.854 . 0 0 "[ . 1 . 2 .]" 3
1435 2 60 HIS HB2 2 61 VAL MG2 4.000 . 5.500 4.443 4.342 4.562 . 0 0 "[ . 1 . 2 .]" 3
1436 2 60 HIS HD2 2 61 VAL HA 4.000 . 5.000 3.707 3.112 4.092 . 0 0 "[ . 1 . 2 .]" 3
1437 2 60 HIS HD2 2 61 VAL MG2 3.000 . 3.800 3.205 2.504 3.523 . 0 0 "[ . 1 . 2 .]" 3
1438 2 60 HIS HD2 2 61 VAL MG1 4.000 . 5.500 5.049 4.459 5.372 . 0 0 "[ . 1 . 2 .]" 3
1439 2 60 HIS HA 2 63 LEU QB 3.000 . 3.800 2.455 2.254 2.730 . 0 0 "[ . 1 . 2 .]" 3
1440 2 60 HIS HA 2 64 MET ME 4.000 . 5.500 3.276 2.874 3.940 . 0 0 "[ . 1 . 2 .]" 3
1441 2 60 HIS HE1 2 64 MET ME 3.000 . 3.800 2.329 2.126 2.745 . 0 0 "[ . 1 . 2 .]" 3
1442 2 60 HIS HE1 2 84 TYR HB3 4.000 . 5.000 2.573 2.212 2.938 . 0 0 "[ . 1 . 2 .]" 3
1443 2 60 HIS HE1 2 87 THR HB 4.000 . 6.000 3.990 2.562 4.778 . 0 0 "[ . 1 . 2 .]" 3
1444 2 60 HIS HB3 2 88 LEU MD1 4.000 . 5.500 3.107 2.142 4.414 . 0 0 "[ . 1 . 2 .]" 3
1445 2 60 HIS HB3 2 88 LEU MD2 3.000 . 3.800 3.627 3.140 3.932 0.132 13 0 "[ . 1 . 2 .]" 3
1446 2 60 HIS HB2 2 88 LEU MD2 3.000 . 3.800 2.755 2.000 3.434 . 0 0 "[ . 1 . 2 .]" 3
1447 2 60 HIS HB2 2 88 LEU MD1 4.000 . 5.500 3.198 2.437 4.031 . 0 0 "[ . 1 . 2 .]" 3
1448 2 60 HIS HD2 2 88 LEU MD1 4.000 . 5.500 3.125 2.009 4.525 . 0 0 "[ . 1 . 2 .]" 3
1449 2 60 HIS HA 2 88 LEU MD2 4.000 . 5.500 4.570 3.527 5.425 . 0 0 "[ . 1 . 2 .]" 3
1450 2 61 VAL HA 2 61 VAL MG1 2.500 . 3.200 2.352 2.233 2.417 . 0 0 "[ . 1 . 2 .]" 3
1451 2 61 VAL HA 2 61 VAL MG2 2.500 . 3.200 2.396 2.350 2.430 . 0 0 "[ . 1 . 2 .]" 3
1452 2 61 VAL MG1 2 62 GLU HB3 4.000 . 5.500 5.272 5.215 5.378 . 0 0 "[ . 1 . 2 .]" 3
1453 2 61 VAL MG2 2 62 GLU HB3 4.000 . 5.500 5.680 5.664 5.699 0.199 24 0 "[ . 1 . 2 .]" 3
1454 2 61 VAL MG1 2 62 GLU HG2 4.000 . 6.500 5.998 5.924 6.059 . 0 0 "[ . 1 . 2 .]" 3
1455 2 61 VAL MG1 2 62 GLU HG3 4.000 . 6.500 5.379 5.230 5.506 . 0 0 "[ . 1 . 2 .]" 3
1456 2 61 VAL MG1 2 62 GLU HA 3.000 . 3.800 3.609 3.555 3.711 . 0 0 "[ . 1 . 2 .]" 3
1457 2 61 VAL HA 2 64 MET HB2 4.000 . 5.000 2.863 2.614 3.112 . 0 0 "[ . 1 . 2 .]" 3
1458 2 61 VAL HA 2 64 MET ME 4.000 . 5.500 5.345 4.810 5.518 0.018 7 0 "[ . 1 . 2 .]" 3
1459 2 61 VAL MG1 2 65 ASP HB2 3.000 . 3.800 3.492 3.209 3.744 . 0 0 "[ . 1 . 2 .]" 3
1460 2 61 VAL MG1 2 65 ASP HB3 4.000 . 5.500 4.750 4.489 4.918 . 0 0 "[ . 1 . 2 .]" 3
1461 2 62 GLU HA 2 62 GLU HG3 2.500 . 2.700 2.484 2.444 2.515 . 0 0 "[ . 1 . 2 .]" 3
1462 2 62 GLU HA 2 62 GLU HG2 2.500 . 2.700 2.806 2.760 2.837 0.137 23 0 "[ . 1 . 2 .]" 3
1463 2 62 GLU HA 2 65 ASP HB2 3.000 . 3.300 2.919 2.804 3.082 . 0 0 "[ . 1 . 2 .]" 3
1464 2 62 GLU HA 2 65 ASP HB3 2.500 . 2.700 2.739 2.700 2.797 0.097 23 0 "[ . 1 . 2 .]" 3
1465 2 63 LEU HA 2 63 LEU HG 4.000 . 5.000 2.742 2.498 3.093 . 0 0 "[ . 1 . 2 .]" 3
1466 2 63 LEU HG 2 64 MET ME 3.000 . 3.800 2.669 2.154 3.208 . 0 0 "[ . 1 . 2 .]" 3
1467 2 63 LEU MD2 2 64 MET ME 2.500 . 3.700 2.180 1.930 2.492 . 0 0 "[ . 1 . 2 .]" 3
1468 2 63 LEU HA 2 64 MET ME 4.000 . 5.500 4.313 3.814 4.639 . 0 0 "[ . 1 . 2 .]" 3
1469 2 63 LEU MD1 2 64 MET ME 3.000 . 4.300 3.904 3.543 4.227 . 0 0 "[ . 1 . 2 .]" 3
1470 2 63 LEU HA 2 66 THR HB 2.500 . 2.700 2.592 2.474 2.703 0.003 25 0 "[ . 1 . 2 .]" 3
1471 2 63 LEU MD1 2 66 THR HB 3.000 . 3.800 3.041 2.456 3.554 . 0 0 "[ . 1 . 2 .]" 3
1472 2 63 LEU MD1 2 66 THR MG 3.000 . 4.300 3.356 3.087 3.758 . 0 0 "[ . 1 . 2 .]" 3
1473 2 63 LEU HA 2 66 THR MG 3.000 . 3.800 3.921 3.897 3.959 0.159 12 0 "[ . 1 . 2 .]" 3
1474 2 63 LEU MD2 2 66 THR MG 4.000 . 6.000 5.341 5.184 5.471 . 0 0 "[ . 1 . 2 .]" 3
1475 2 63 LEU MD1 2 67 PHE QD 4.000 . 5.500 3.335 2.655 3.739 . 0 0 "[ . 1 . 2 .]" 3
1476 2 63 LEU MD2 2 67 PHE QD 4.000 . 5.500 3.466 2.952 3.978 . 0 0 "[ . 1 . 2 .]" 3
1477 2 63 LEU MD1 2 67 PHE QE 3.000 . 3.800 2.354 1.927 2.856 . 0 0 "[ . 1 . 2 .]" 3
1478 2 63 LEU MD1 2 67 PHE HZ 4.000 . 5.500 3.662 2.826 4.090 . 0 0 "[ . 1 . 2 .]" 3
1479 2 64 MET HB3 2 64 MET ME 4.000 . 5.500 3.812 3.586 3.995 . 0 0 "[ . 1 . 2 .]" 3
1480 2 64 MET HA 2 64 MET ME 2.500 . 3.200 2.445 2.067 2.949 . 0 0 "[ . 1 . 2 .]" 3
1481 2 64 MET HA 2 64 MET HG3 4.000 . 5.000 3.674 3.649 3.723 . 0 0 "[ . 1 . 2 .]" 3
1482 2 64 MET ME 2 64 MET HG3 3.000 . 3.800 3.110 2.997 3.238 . 0 0 "[ . 1 . 2 .]" 3
1483 2 64 MET ME 2 64 MET HG2 3.000 . 3.800 2.108 2.067 2.160 . 0 0 "[ . 1 . 2 .]" 3
1484 2 64 MET HA 2 64 MET HG2 3.000 . 3.300 3.008 2.814 3.191 . 0 0 "[ . 1 . 2 .]" 3
1485 2 64 MET ME 2 67 PHE QE 4.000 . 5.500 3.656 2.831 4.433 . 0 0 "[ . 1 . 2 .]" 3
1486 2 64 MET ME 2 67 PHE QD 3.000 . 3.800 2.963 2.153 3.728 . 0 0 "[ . 1 . 2 .]" 3
1487 2 64 MET HA 2 67 PHE QD 4.000 . 5.000 3.220 2.351 4.233 . 0 0 "[ . 1 . 2 .]" 3
1488 2 64 MET HA 2 67 PHE HB2 3.000 . 3.300 2.663 2.339 2.897 . 0 0 "[ . 1 . 2 .]" 3
1489 2 64 MET HA 2 67 PHE HB3 4.000 . 5.000 4.263 3.835 4.547 . 0 0 "[ . 1 . 2 .]" 3
1490 2 64 MET ME 2 81 LEU MD1 3.000 . 4.300 3.004 1.957 3.594 . 0 0 "[ . 1 . 2 .]" 3
1491 2 64 MET HA 2 81 LEU MD2 4.000 . 5.500 3.471 2.627 4.305 . 0 0 "[ . 1 . 2 .]" 3
1492 2 64 MET HA 2 81 LEU MD1 4.000 . 5.500 2.248 2.067 2.521 . 0 0 "[ . 1 . 2 .]" 3
1493 2 64 MET ME 2 84 TYR QD 3.000 . 3.800 2.242 2.021 2.864 . 0 0 "[ . 1 . 2 .]" 3
1494 2 64 MET ME 2 84 TYR HA 4.000 . 5.500 4.659 4.058 5.521 0.021 1 0 "[ . 1 . 2 .]" 3
1495 2 64 MET ME 2 84 TYR HB3 4.000 . 5.500 2.614 2.146 3.402 . 0 0 "[ . 1 . 2 .]" 3
1496 2 64 MET ME 2 84 TYR QE 4.000 . 5.500 3.739 3.313 4.172 . 0 0 "[ . 1 . 2 .]" 3
1497 2 64 MET ME 2 84 TYR HB2 4.000 . 5.500 3.384 2.583 3.979 . 0 0 "[ . 1 . 2 .]" 3
1498 2 64 MET ME 2 87 THR MG 4.000 . 6.000 4.420 3.741 5.261 . 0 0 "[ . 1 . 2 .]" 3
1499 2 65 ASP HB2 2 66 THR HA 4.000 . 6.000 5.520 5.488 5.540 . 0 0 "[ . 1 . 2 .]" 3
1500 2 65 ASP HB3 2 66 THR MG 4.000 . 5.500 5.235 5.171 5.332 . 0 0 "[ . 1 . 2 .]" 3
1501 2 65 ASP HB3 2 68 SER QB 4.000 . 5.500 5.134 4.846 5.501 0.001 7 0 "[ . 1 . 2 .]" 3
1502 2 65 ASP HA 2 68 SER QB 2.500 . 3.200 2.803 2.386 3.115 . 0 0 "[ . 1 . 2 .]" 3
1503 2 66 THR HA 2 66 THR MG 2.500 . 3.200 2.397 2.244 2.577 . 0 0 "[ . 1 . 2 .]" 3
1504 2 66 THR MG 2 67 PHE QD 4.000 . 5.500 3.741 2.272 4.519 . 0 0 "[ . 1 . 2 .]" 3
1505 2 66 THR MG 2 67 PHE HA 3.000 . 3.800 3.421 2.943 3.726 . 0 0 "[ . 1 . 2 .]" 3
1506 2 66 THR MG 2 69 LYS QB 4.000 . 6.000 3.762 3.437 4.042 . 0 0 "[ . 1 . 2 .]" 3
1507 2 66 THR HA 2 69 LYS QB 3.000 . 3.800 3.263 2.978 3.662 . 0 0 "[ . 1 . 2 .]" 3
1508 2 66 THR HA 2 69 LYS QD 4.000 . 5.500 4.005 2.568 5.261 . 0 0 "[ . 1 . 2 .]" 3
1509 2 66 THR HA 2 69 LYS QE 4.000 . 5.500 4.401 2.302 5.494 . 0 0 "[ . 1 . 2 .]" 3
1510 2 66 THR MG 2 69 LYS QD 4.000 . 6.000 4.904 3.695 6.057 0.057 12 0 "[ . 1 . 2 .]" 3
1511 2 66 THR MG 2 70 GLN HG3 4.000 . 5.500 4.474 2.989 5.583 0.083 20 0 "[ . 1 . 2 .]" 3
1512 2 66 THR MG 2 70 GLN QB 4.000 . 6.000 3.873 3.176 4.806 . 0 0 "[ . 1 . 2 .]" 3
1513 2 67 PHE HA 2 67 PHE QD 3.000 . 3.300 2.559 2.150 3.009 . 0 0 "[ . 1 . 2 .]" 3
1514 2 67 PHE HA 2 70 GLN QB 3.000 . 3.800 2.208 1.998 2.467 . 0 0 "[ . 1 . 2 .]" 3
1515 2 67 PHE HA 2 70 GLN HG2 4.000 . 5.000 4.537 3.785 5.022 0.022 23 0 "[ . 1 . 2 .]" 3
1516 2 67 PHE HA 2 70 GLN HG3 4.000 . 5.000 4.058 2.537 4.902 . 0 0 "[ . 1 . 2 .]" 3
1517 2 67 PHE HB3 2 71 LEU MD2 4.000 . 5.500 2.398 2.173 2.871 . 0 0 "[ . 1 . 2 .]" 3
1518 2 67 PHE HB2 2 71 LEU MD2 4.000 . 5.500 3.661 3.390 4.005 . 0 0 "[ . 1 . 2 .]" 3
1519 2 67 PHE QD 2 81 LEU MD1 3.000 . 3.800 3.060 2.280 3.490 . 0 0 "[ . 1 . 2 .]" 3
1520 2 67 PHE HB3 2 81 LEU MD2 4.000 . 5.500 3.175 2.147 3.987 . 0 0 "[ . 1 . 2 .]" 3
1521 2 67 PHE HB2 2 81 LEU MD2 3.000 . 3.800 3.051 2.132 3.804 0.004 11 0 "[ . 1 . 2 .]" 3
1522 2 67 PHE HA 2 81 LEU MD1 4.000 . 5.500 4.120 3.714 4.476 . 0 0 "[ . 1 . 2 .]" 3
1523 2 67 PHE HB2 2 81 LEU MD1 3.000 . 3.800 2.033 1.912 2.220 . 0 0 "[ . 1 . 2 .]" 3
1524 2 67 PHE HB3 2 81 LEU MD1 3.000 . 3.800 2.133 1.930 2.435 . 0 0 "[ . 1 . 2 .]" 3
1525 2 68 SER QB 2 69 LYS HG2 4.000 . 5.500 3.841 2.925 5.027 . 0 0 "[ . 1 . 2 .]" 3
1526 2 68 SER HA 2 71 LEU MD2 3.000 . 3.800 2.622 2.310 3.035 . 0 0 "[ . 1 . 2 .]" 3
1527 2 68 SER HA 2 71 LEU MD1 4.000 . 5.500 5.192 4.730 5.439 . 0 0 "[ . 1 . 2 .]" 3
1528 2 68 SER HA 2 71 LEU HB2 3.000 . 3.300 3.134 2.725 3.328 0.028 8 0 "[ . 1 . 2 .]" 3
1529 2 68 SER HA 2 71 LEU HB3 4.000 . 5.000 4.808 4.373 4.998 . 0 0 "[ . 1 . 2 .]" 3
1530 2 68 SER HA 2 71 LEU HG 4.000 . 5.000 4.698 4.413 5.064 0.064 4 0 "[ . 1 . 2 .]" 3
1531 2 68 SER HA 2 78 GLU QG 3.000 . 3.800 3.540 2.986 3.897 0.097 24 0 "[ . 1 . 2 .]" 3
1532 2 68 SER QB 2 81 LEU MD2 2.500 . 3.700 2.623 2.110 3.453 . 0 0 "[ . 1 . 2 .]" 3
1533 2 68 SER QB 2 81 LEU MD1 4.000 . 6.000 4.139 3.165 5.109 . 0 0 "[ . 1 . 2 .]" 3
1534 2 70 GLN HA 2 70 GLN HG2 3.000 . 3.300 2.685 2.244 3.533 0.233 20 0 "[ . 1 . 2 .]" 3
1535 2 70 GLN HA 2 70 GLN HG3 3.000 . 3.300 2.619 2.342 3.040 . 0 0 "[ . 1 . 2 .]" 3
1536 2 70 GLN HG2 2 71 LEU MD1 4.000 . 5.500 4.498 3.331 5.615 0.115 24 0 "[ . 1 . 2 .]" 3
1537 2 71 LEU HA 2 71 LEU MD2 3.000 . 3.800 3.051 2.689 3.361 . 0 0 "[ . 1 . 2 .]" 3
1538 2 71 LEU HA 2 71 LEU MD1 2.500 . 3.200 1.901 1.865 1.928 . 0 0 "[ . 1 . 2 .]" 3
1539 2 71 LEU HA 2 74 GLU HB2 4.000 . 5.000 2.272 2.144 2.698 . 0 0 "[ . 1 . 2 .]" 3
1540 2 71 LEU MD1 2 74 GLU HG3 4.000 . 5.500 3.142 2.857 3.690 . 0 0 "[ . 1 . 2 .]" 3
1541 2 71 LEU MD1 2 74 GLU HG2 4.000 . 5.500 3.110 2.884 3.483 . 0 0 "[ . 1 . 2 .]" 3
1542 2 71 LEU HB2 2 74 GLU HG2 4.000 . 5.000 5.101 5.065 5.161 0.161 3 0 "[ . 1 . 2 .]" 3
1543 2 71 LEU MD1 2 76 ARG HB3 3.000 . 3.800 3.394 2.725 3.807 0.007 25 0 "[ . 1 . 2 .]" 3
1544 2 71 LEU HB3 2 76 ARG HB2 4.000 . 5.000 3.632 2.643 4.694 . 0 0 "[ . 1 . 2 .]" 3
1545 2 71 LEU HA 2 76 ARG HB2 4.000 . 5.000 3.645 2.794 4.414 . 0 0 "[ . 1 . 2 .]" 3
1546 2 71 LEU MD1 2 76 ARG HB2 3.000 . 3.800 2.240 2.087 2.600 . 0 0 "[ . 1 . 2 .]" 3
1547 2 71 LEU MD1 2 76 ARG QG 2.500 . 3.700 3.167 1.972 3.783 0.083 12 0 "[ . 1 . 2 .]" 3
1548 2 71 LEU HA 2 76 ARG QD 4.000 . 5.500 4.915 3.671 5.526 0.026 5 0 "[ . 1 . 2 .]" 3
1549 2 71 LEU MD1 2 76 ARG HA 4.000 . 5.500 4.794 4.371 5.285 . 0 0 "[ . 1 . 2 .]" 3
1550 2 71 LEU MD1 2 76 ARG QD 2.500 . 3.700 3.272 2.029 3.808 0.108 14 0 "[ . 1 . 2 .]" 3
1551 2 71 LEU MD2 2 78 GLU HB3 4.000 . 5.500 4.492 4.126 4.975 . 0 0 "[ . 1 . 2 .]" 3
1552 2 71 LEU MD2 2 78 GLU HA 2.500 . 3.200 3.313 3.193 3.386 0.186 5 0 "[ . 1 . 2 .]" 3
1553 2 71 LEU MD2 2 78 GLU QG 3.000 . 4.300 3.356 2.815 3.949 . 0 0 "[ . 1 . 2 .]" 3
1554 2 71 LEU MD1 2 78 GLU HA 3.000 . 3.800 3.808 3.643 3.871 0.071 25 0 "[ . 1 . 2 .]" 3
1555 2 71 LEU HG 2 78 GLU QG 4.000 . 5.500 3.181 2.899 3.788 . 0 0 "[ . 1 . 2 .]" 3
1556 2 71 LEU HB2 2 78 GLU QG 4.000 . 5.500 2.659 2.152 3.401 . 0 0 "[ . 1 . 2 .]" 3
1557 2 71 LEU MD1 2 78 GLU QG 4.000 . 6.000 4.331 3.993 4.885 . 0 0 "[ . 1 . 2 .]" 3
1558 2 71 LEU MD1 2 80 ILE HG13 4.000 . 5.500 5.226 4.802 5.499 . 0 0 "[ . 1 . 2 .]" 3
1559 2 71 LEU MD2 2 80 ILE HG13 4.000 . 5.500 5.519 5.335 5.614 0.114 16 0 "[ . 1 . 2 .]" 3
1560 2 71 LEU MD1 2 80 ILE MD 3.000 . 4.300 3.201 2.742 3.629 . 0 0 "[ . 1 . 2 .]" 3
1561 2 71 LEU MD1 2 80 ILE MG 3.000 . 4.300 2.187 1.879 2.574 . 0 0 "[ . 1 . 2 .]" 3
1562 2 71 LEU HG 2 80 ILE MG 3.000 . 3.800 2.697 2.450 3.056 . 0 0 "[ . 1 . 2 .]" 3
1563 2 71 LEU MD2 2 80 ILE MG 2.500 . 3.700 2.975 2.552 3.457 . 0 0 "[ . 1 . 2 .]" 3
1564 2 72 LYS HA 2 72 LYS QD 3.000 . 3.800 3.609 2.266 3.982 0.182 5 0 "[ . 1 . 2 .]" 3
1565 2 72 LYS HA 2 72 LYS HG3 3.000 . 3.300 3.158 2.662 3.495 0.195 15 0 "[ . 1 . 2 .]" 3
1566 2 72 LYS HA 2 72 LYS HG2 2.500 . 2.700 2.273 2.161 2.392 . 0 0 "[ . 1 . 2 .]" 3
1567 2 72 LYS HA 2 72 LYS QE 4.000 . 5.500 4.135 2.714 5.026 . 0 0 "[ . 1 . 2 .]" 3
1568 2 72 LYS QE 2 78 GLU QG 4.000 . 6.000 4.804 3.672 5.837 . 0 0 "[ . 1 . 2 .]" 3
1569 2 73 LEU HA 2 73 LEU MD2 2.500 . 3.200 2.232 2.138 2.885 . 0 0 "[ . 1 . 2 .]" 3
1570 2 73 LEU HA 2 73 LEU HG 3.000 . 3.300 2.869 2.515 3.100 . 0 0 "[ . 1 . 2 .]" 3
1571 2 73 LEU HA 2 73 LEU MD1 3.000 . 3.800 3.858 3.776 3.895 0.095 5 0 "[ . 1 . 2 .]" 3
1572 2 73 LEU MD1 2 74 GLU HG2 4.000 . 5.500 4.489 4.190 4.663 . 0 0 "[ . 1 . 2 .]" 3
1573 2 73 LEU MD1 2 74 GLU HG3 4.000 . 5.500 5.613 5.523 5.671 0.171 16 0 "[ . 1 . 2 .]" 3
1574 2 74 GLU HA 2 74 GLU HG2 3.000 . 3.300 3.395 3.292 3.456 0.156 13 0 "[ . 1 . 2 .]" 3
1575 2 74 GLU HA 2 74 GLU HG3 3.000 . 3.300 3.530 3.483 3.572 0.272 5 0 "[ . 1 . 2 .]" 3
1576 2 74 GLU HG2 2 76 ARG QG 4.000 . 5.500 4.555 3.908 5.605 0.105 16 0 "[ . 1 . 2 .]" 3
1577 2 74 GLU HG3 2 76 ARG QG 4.000 . 6.500 4.045 3.428 5.214 . 0 0 "[ . 1 . 2 .]" 3
1578 2 74 GLU HG2 2 76 ARG QD 4.000 . 6.500 5.223 3.769 6.092 . 0 0 "[ . 1 . 2 .]" 3
1579 2 74 GLU HA 2 76 ARG QD 4.000 . 5.500 5.244 3.673 5.561 0.061 2 0 "[ . 1 . 2 .]" 3
1580 2 74 GLU HG3 2 76 ARG QD 4.000 . 6.500 4.279 3.309 5.499 . 0 0 "[ . 1 . 2 .]" 3
1581 2 76 ARG HB3 2 76 ARG QD 3.000 . 3.800 2.367 2.106 3.239 . 0 0 "[ . 1 . 2 .]" 3
1582 2 76 ARG HA 2 76 ARG QG 2.500 . 3.200 2.323 2.148 2.869 . 0 0 "[ . 1 . 2 .]" 3
1583 2 76 ARG HA 2 76 ARG QD 3.000 . 3.800 3.553 2.097 4.015 0.215 17 0 "[ . 1 . 2 .]" 3
1584 2 76 ARG QD 2 80 ILE MD 4.000 . 6.000 4.157 2.767 5.454 . 0 0 "[ . 1 . 2 .]" 3
1585 2 77 SER HA 2 78 GLU QG 4.000 . 5.500 3.904 3.469 4.936 . 0 0 "[ . 1 . 2 .]" 3
1586 2 77 SER HB2 2 80 ILE MG 4.000 . 5.500 5.272 4.642 5.621 0.121 20 0 "[ . 1 . 2 .]" 3
1587 2 78 GLU HA 2 78 GLU QG 2.500 . 3.200 2.330 2.226 2.565 . 0 0 "[ . 1 . 2 .]" 3
1588 2 78 GLU HA 2 80 ILE MG 3.000 . 3.800 2.928 2.608 3.325 . 0 0 "[ . 1 . 2 .]" 3
1589 2 78 GLU HB3 2 81 LEU MD2 4.000 . 5.500 3.223 2.665 4.111 . 0 0 "[ . 1 . 2 .]" 3
1590 2 78 GLU HB2 2 81 LEU MD2 4.000 . 5.500 4.679 4.108 5.340 . 0 0 "[ . 1 . 2 .]" 3
1591 2 78 GLU QG 2 81 LEU MD2 3.000 . 4.300 3.231 2.509 4.003 . 0 0 "[ . 1 . 2 .]" 3
1592 2 78 GLU HA 2 81 LEU MD2 3.000 . 3.800 3.715 3.083 3.883 0.083 16 0 "[ . 1 . 2 .]" 3
1593 2 79 ASP HB2 2 80 ILE HA 4.000 . 5.000 4.395 4.244 4.532 . 0 0 "[ . 1 . 2 .]" 3
1594 2 79 ASP HA 2 82 LEU HG 3.000 . 3.300 3.480 3.381 3.544 0.244 23 0 "[ . 1 . 2 .]" 3
1595 2 79 ASP HB3 2 82 LEU MD2 4.000 . 5.500 4.314 3.953 5.224 . 0 0 "[ . 1 . 2 .]" 3
1596 2 79 ASP HA 2 82 LEU MD2 3.000 . 3.800 2.648 2.301 3.067 . 0 0 "[ . 1 . 2 .]" 3
1597 2 79 ASP HA 2 82 LEU MD1 4.000 . 5.500 4.606 4.510 4.667 . 0 0 "[ . 1 . 2 .]" 3
1598 2 79 ASP HB2 2 82 LEU MD2 4.000 . 5.500 5.171 4.892 5.641 0.141 19 0 "[ . 1 . 2 .]" 3
1599 2 80 ILE HA 2 80 ILE MD 3.000 . 3.800 3.740 3.645 3.846 0.046 9 0 "[ . 1 . 2 .]" 3
1600 2 80 ILE HA 2 80 ILE MG 2.500 . 3.200 3.171 3.145 3.197 . 0 0 "[ . 1 . 2 .]" 3
1601 2 80 ILE HA 2 80 ILE HG13 3.000 . 3.300 2.599 2.445 2.735 . 0 0 "[ . 1 . 2 .]" 3
1602 2 80 ILE HG13 2 81 LEU MD1 4.000 . 5.500 5.488 5.027 5.622 0.122 23 0 "[ . 1 . 2 .]" 3
1603 2 80 ILE MG 2 81 LEU MD2 4.000 . 6.000 4.691 4.437 4.962 . 0 0 "[ . 1 . 2 .]" 3
1604 2 80 ILE MG 2 81 LEU MD1 3.000 . 4.300 4.265 4.063 4.352 0.052 4 0 "[ . 1 . 2 .]" 3
1605 2 80 ILE MG 2 81 LEU QB 4.000 . 6.000 3.022 2.821 3.185 . 0 0 "[ . 1 . 2 .]" 3
1606 2 80 ILE MG 2 81 LEU HA 4.000 . 5.500 3.697 3.431 3.959 . 0 0 "[ . 1 . 2 .]" 3
1607 2 80 ILE MD 2 81 LEU MD1 4.000 . 6.000 5.016 4.548 5.317 . 0 0 "[ . 1 . 2 .]" 3
1608 2 80 ILE HA 2 83 ASP HB3 4.000 . 6.000 3.672 3.005 4.646 . 0 0 "[ . 1 . 2 .]" 3
1609 2 80 ILE HA 2 83 ASP HB2 4.000 . 5.000 4.758 4.215 5.166 0.166 16 0 "[ . 1 . 2 .]" 3
1610 2 80 ILE MG 2 84 TYR QD 4.000 . 6.500 5.146 4.914 5.652 . 0 0 "[ . 1 . 2 .]" 3
1611 2 80 ILE MG 2 84 TYR QE 4.000 . 5.500 4.100 3.716 4.782 . 0 0 "[ . 1 . 2 .]" 3
1612 2 80 ILE HG13 2 84 TYR QE 4.000 . 5.000 2.374 2.121 3.623 . 0 0 "[ . 1 . 2 .]" 3
1613 2 81 LEU HA 2 81 LEU MD1 2.500 . 3.200 2.122 1.946 2.431 . 0 0 "[ . 1 . 2 .]" 3
1614 2 81 LEU HA 2 81 LEU HG 3.000 . 3.300 2.920 2.552 3.254 . 0 0 "[ . 1 . 2 .]" 3
1615 2 81 LEU HA 2 81 LEU MD2 3.000 . 3.800 3.807 3.726 3.860 0.060 20 0 "[ . 1 . 2 .]" 3
1616 2 81 LEU HA 2 84 TYR QD 3.000 . 3.300 2.828 2.133 3.194 . 0 0 "[ . 1 . 2 .]" 3
1617 2 81 LEU MD1 2 84 TYR QD 3.000 . 3.800 2.155 1.955 2.643 . 0 0 "[ . 1 . 2 .]" 3
1618 2 81 LEU MD1 2 84 TYR QE 3.000 . 3.800 2.564 2.152 3.223 . 0 0 "[ . 1 . 2 .]" 3
1619 2 81 LEU HA 2 84 TYR QE 3.000 . 3.300 3.088 2.367 3.402 0.102 16 0 "[ . 1 . 2 .]" 3
1620 2 83 ASP HA 2 86 LEU MD1 4.000 . 5.500 3.724 3.026 4.389 . 0 0 "[ . 1 . 2 .]" 3
1621 2 83 ASP HB2 2 86 LEU MD1 4.000 . 5.500 3.101 2.592 3.544 . 0 0 "[ . 1 . 2 .]" 3
1622 2 83 ASP HB2 2 86 LEU HG 4.000 . 5.000 4.599 4.120 5.046 0.046 10 0 "[ . 1 . 2 .]" 3
1623 2 83 ASP HB3 2 86 LEU MD1 4.000 . 5.500 4.436 3.203 5.027 . 0 0 "[ . 1 . 2 .]" 3
1624 2 84 TYR HA 2 84 TYR QD 3.000 . 3.300 2.044 1.927 2.295 . 0 0 "[ . 1 . 2 .]" 3
1625 2 84 TYR HA 2 84 TYR QE 4.000 . 5.000 4.239 4.183 4.329 . 0 0 "[ . 1 . 2 .]" 3
1626 2 84 TYR QD 2 87 THR MG 4.000 . 5.500 4.682 3.642 5.273 . 0 0 "[ . 1 . 2 .]" 3
1627 2 84 TYR HA 2 87 THR HB 4.000 . 5.000 3.249 2.966 3.894 . 0 0 "[ . 1 . 2 .]" 3
1628 2 84 TYR HB3 2 87 THR HB 4.000 . 6.000 3.335 2.694 3.853 . 0 0 "[ . 1 . 2 .]" 3
1629 2 84 TYR QD 2 87 THR HB 4.000 . 5.000 4.368 3.211 4.971 . 0 0 "[ . 1 . 2 .]" 3
1630 2 85 ARG HA 2 88 LEU MD1 4.000 . 5.500 3.976 3.459 4.703 . 0 0 "[ . 1 . 2 .]" 3
1631 2 85 ARG HA 2 88 LEU HB2 4.000 . 5.000 3.387 2.938 3.875 . 0 0 "[ . 1 . 2 .]" 3
1632 2 85 ARG HA 2 88 LEU HB3 4.000 . 5.000 3.152 2.515 3.637 . 0 0 "[ . 1 . 2 .]" 3
1633 2 85 ARG QB 2 89 ILE MD 4.000 . 6.000 3.749 3.219 4.081 . 0 0 "[ . 1 . 2 .]" 3
1634 2 86 LEU HA 2 86 LEU MD1 3.000 . 3.800 3.806 3.757 3.841 0.041 11 0 "[ . 1 . 2 .]" 3
1635 2 86 LEU HA 2 86 LEU MD2 2.500 . 3.200 2.117 2.027 2.229 . 0 0 "[ . 1 . 2 .]" 3
1636 2 86 LEU HB2 2 86 LEU MD1 3.000 . 3.800 2.245 2.119 2.404 . 0 0 "[ . 1 . 2 .]" 3
1637 2 86 LEU HB2 2 86 LEU MD2 3.000 . 3.800 3.170 3.146 3.186 . 0 0 "[ . 1 . 2 .]" 3
1638 2 86 LEU HB3 2 86 LEU MD1 3.000 . 3.800 2.448 2.294 2.571 . 0 0 "[ . 1 . 2 .]" 3
1639 2 86 LEU MD2 2 89 ILE MG 3.000 . 4.300 4.134 3.807 4.321 0.021 14 0 "[ . 1 . 2 .]" 3
1640 2 86 LEU MD2 2 89 ILE HB 4.000 . 5.500 3.804 3.558 4.002 . 0 0 "[ . 1 . 2 .]" 3
1641 2 86 LEU MD2 2 89 ILE MD 3.000 . 4.300 3.603 2.728 4.094 . 0 0 "[ . 1 . 2 .]" 3
1642 2 86 LEU HA 2 89 ILE HB 3.000 . 3.300 2.823 2.600 2.994 . 0 0 "[ . 1 . 2 .]" 3
1643 2 86 LEU HA 2 89 ILE MG 4.000 . 5.500 4.159 3.951 4.347 . 0 0 "[ . 1 . 2 .]" 3
1644 2 87 THR HA 2 87 THR MG 2.500 . 3.200 2.277 2.171 2.361 . 0 0 "[ . 1 . 2 .]" 3
1645 2 87 THR HA 2 90 ASP QB 3.000 . 3.800 2.416 2.176 2.858 . 0 0 "[ . 1 . 2 .]" 3
1646 2 87 THR MG 2 90 ASP QB 4.000 . 6.000 3.501 3.044 4.179 . 0 0 "[ . 1 . 2 .]" 3
1647 2 87 THR HA 2 91 VAL MG2 4.000 . 5.500 3.628 3.258 3.996 . 0 0 "[ . 1 . 2 .]" 3
1648 2 88 LEU HA 2 88 LEU HG 4.000 . 5.000 3.028 2.387 3.653 . 0 0 "[ . 1 . 2 .]" 3
1649 2 88 LEU HA 2 88 LEU MD1 4.000 . 5.500 3.480 3.029 3.794 . 0 0 "[ . 1 . 2 .]" 3
1650 2 88 LEU HA 2 88 LEU MD2 2.500 . 3.200 2.084 1.936 2.476 . 0 0 "[ . 1 . 2 .]" 3
1651 2 88 LEU HB3 2 88 LEU MD2 3.000 . 3.800 2.791 2.305 3.197 . 0 0 "[ . 1 . 2 .]" 3
1652 2 88 LEU HB3 2 88 LEU MD1 3.000 . 3.800 2.191 2.116 2.283 . 0 0 "[ . 1 . 2 .]" 3
1653 2 88 LEU HB2 2 88 LEU MD2 3.000 . 3.800 2.867 2.424 3.201 . 0 0 "[ . 1 . 2 .]" 3
1654 2 88 LEU HB2 2 88 LEU MD1 3.000 . 3.800 2.761 2.370 3.179 . 0 0 "[ . 1 . 2 .]" 3
1655 2 88 LEU HA 2 91 VAL HB 4.000 . 5.000 2.742 2.339 3.170 . 0 0 "[ . 1 . 2 .]" 3
1656 2 88 LEU MD2 2 91 VAL HB 4.000 . 5.500 2.921 2.481 3.320 . 0 0 "[ . 1 . 2 .]" 3
1657 2 88 LEU MD2 2 92 ILE MG 3.000 . 4.300 2.383 1.929 4.060 . 0 0 "[ . 1 . 2 .]" 3
1658 2 89 ILE MG 2 90 ASP HA 4.000 . 5.500 3.550 3.341 3.751 . 0 0 "[ . 1 . 2 .]" 3
1659 2 89 ILE MG 2 93 ALA MB 3.000 . 4.300 2.887 2.477 3.256 . 0 0 "[ . 1 . 2 .]" 3
1660 2 90 ASP QB 2 91 VAL MG2 4.000 . 6.000 3.354 3.011 4.210 . 0 0 "[ . 1 . 2 .]" 3
1661 2 90 ASP HA 2 91 VAL MG2 4.000 . 5.500 5.098 4.948 5.293 . 0 0 "[ . 1 . 2 .]" 3
1662 2 90 ASP HA 2 93 ALA MB 2.500 . 3.200 2.199 2.127 2.435 . 0 0 "[ . 1 . 2 .]" 3
1663 2 91 VAL HA 2 91 VAL MG1 2.500 . 3.200 2.414 2.361 2.505 . 0 0 "[ . 1 . 2 .]" 3
1664 2 91 VAL HA 2 91 VAL MG2 2.500 . 3.200 2.228 2.105 2.344 . 0 0 "[ . 1 . 2 .]" 3
1665 2 91 VAL MG1 2 92 ILE HA 4.000 . 5.500 3.203 3.010 3.425 . 0 0 "[ . 1 . 2 .]" 3
1666 2 91 VAL HA 2 94 HIS QB 4.000 . 5.500 2.821 2.296 3.093 . 0 0 "[ . 1 . 2 .]" 3
1667 2 92 ILE HA 2 92 ILE MD 4.000 . 5.500 4.100 3.845 4.134 . 0 0 "[ . 1 . 2 .]" 3
1668 2 92 ILE HA 2 92 ILE MG 3.000 . 3.800 2.310 2.112 2.423 . 0 0 "[ . 1 . 2 .]" 3
1669 2 92 ILE HA 2 95 LEU MD2 4.000 . 5.500 2.023 1.853 2.189 . 0 0 "[ . 1 . 2 .]" 3
1670 2 92 ILE HA 2 95 LEU HB2 4.000 . 5.000 5.021 4.721 5.211 0.211 1 0 "[ . 1 . 2 .]" 3
1671 2 92 ILE HA 2 95 LEU MD1 4.000 . 6.500 4.162 3.783 4.581 . 0 0 "[ . 1 . 2 .]" 3
1672 2 92 ILE HA 2 95 LEU HB3 4.000 . 5.000 3.558 3.250 3.710 . 0 0 "[ . 1 . 2 .]" 3
1673 2 92 ILE MG 2 95 LEU MD2 4.000 . 6.000 3.042 2.596 3.230 . 0 0 "[ . 1 . 2 .]" 3
1674 2 93 ALA MB 2 94 HIS HA 4.000 . 5.500 3.832 3.785 3.892 . 0 0 "[ . 1 . 2 .]" 3
1675 2 94 HIS HA 2 97 GLU HB3 4.000 . 5.000 4.340 3.905 4.551 . 0 0 "[ . 1 . 2 .]" 3
1676 2 94 HIS HA 2 97 GLU HB2 4.000 . 5.000 2.790 2.378 2.977 . 0 0 "[ . 1 . 2 .]" 3
1677 2 95 LEU HA 2 95 LEU MD2 3.000 . 3.800 3.889 3.622 4.084 0.284 11 0 "[ . 1 . 2 .]" 3
1678 2 95 LEU MD1 2 98 MET ME 4.000 . 6.000 4.458 3.775 5.029 . 0 0 "[ . 1 . 2 .]" 3
1679 2 95 LEU HA 2 98 MET HB2 4.000 . 5.000 4.417 4.062 5.045 0.045 25 0 "[ . 1 . 2 .]" 3
1680 2 95 LEU HG 2 99 TYR QD 4.000 . 5.000 4.216 3.336 4.979 . 0 0 "[ . 1 . 2 .]" 3
1681 2 95 LEU MD2 2 99 TYR QD 4.000 . 5.500 4.657 4.086 5.160 . 0 0 "[ . 1 . 2 .]" 3
1682 2 95 LEU HG 2 99 TYR QE 4.000 . 5.000 3.608 2.636 4.451 . 0 0 "[ . 1 . 2 .]" 3
1683 2 95 LEU MD2 2 99 TYR QE 3.000 . 3.800 3.553 3.165 3.844 0.044 12 0 "[ . 1 . 2 .]" 3
1684 2 95 LEU MD1 2 99 TYR QE 3.000 . 3.800 2.295 1.952 2.972 . 0 0 "[ . 1 . 2 .]" 3
1685 2 43 VAL HA 2 95 LEU MD2 4.000 . 5.500 3.493 3.134 3.928 . 0 0 "[ . 1 . 2 .]" 3
1686 2 96 CYS HA 2 99 TYR HB3 4.000 . 6.000 4.529 4.115 4.760 . 0 0 "[ . 1 . 2 .]" 3
1687 2 96 CYS HA 2 99 TYR HB2 4.000 . 6.000 2.985 2.500 3.321 . 0 0 "[ . 1 . 2 .]" 3
1688 2 96 CYS HA 2 99 TYR QE 4.000 . 5.000 3.567 3.067 4.013 . 0 0 "[ . 1 . 2 .]" 3
1689 2 97 GLU HA 2 97 GLU HG2 4.000 . 5.000 2.475 2.176 2.865 . 0 0 "[ . 1 . 2 .]" 3
1690 2 97 GLU HA 2 97 GLU HG3 4.000 . 5.000 3.338 2.741 3.651 . 0 0 "[ . 1 . 2 .]" 3
1691 2 97 GLU HA 2 100 ARG HB3 4.000 . 5.000 3.143 2.925 3.463 . 0 0 "[ . 1 . 2 .]" 3
1692 2 97 GLU HA 2 100 ARG HB2 4.000 . 5.000 3.386 2.886 3.952 . 0 0 "[ . 1 . 2 .]" 3
1693 2 98 MET HA 2 98 MET HG3 3.000 . 3.300 3.507 3.442 3.518 0.218 17 0 "[ . 1 . 2 .]" 3
1694 2 98 MET HB3 2 98 MET ME 4.000 . 5.500 2.775 2.416 3.036 . 0 0 "[ . 1 . 2 .]" 3
1695 2 98 MET HB2 2 98 MET ME 4.000 . 5.500 2.157 2.010 2.417 . 0 0 "[ . 1 . 2 .]" 3
1696 2 98 MET HA 2 98 MET ME 4.000 . 5.500 4.157 3.893 4.407 . 0 0 "[ . 1 . 2 .]" 3
1697 2 98 MET HA 2 101 ARG HD3 3.000 . 3.300 2.726 2.273 3.237 . 0 0 "[ . 1 . 2 .]" 3
1698 2 98 MET HA 2 101 ARG HD2 4.000 . 5.000 3.391 2.346 3.985 . 0 0 "[ . 1 . 2 .]" 3
1699 2 98 MET ME 2 101 ARG HD3 4.000 . 5.500 5.523 5.363 5.581 0.081 3 0 "[ . 1 . 2 .]" 3
1700 2 99 TYR HA 2 99 TYR QE 4.000 . 5.000 4.325 4.223 4.394 . 0 0 "[ . 1 . 2 .]" 3
1701 2 99 TYR HA 2 99 TYR QD 3.000 . 3.300 2.044 1.948 2.133 . 0 0 "[ . 1 . 2 .]" 3
1702 2 99 TYR HA 2 102 SER QB 4.000 . 5.500 2.725 2.172 3.870 . 0 0 "[ . 1 . 2 .]" 3
1703 2 101 ARG HB2 2 101 ARG HD3 3.000 . 3.300 2.384 2.272 2.537 . 0 0 "[ . 1 . 2 .]" 3
1704 2 101 ARG HA 2 101 ARG HG2 3.000 . 3.300 2.489 2.381 2.586 . 0 0 "[ . 1 . 2 .]" 3
1705 2 101 ARG HA 2 101 ARG HG3 3.000 . 3.300 2.977 2.855 3.070 . 0 0 "[ . 1 . 2 .]" 3
1706 2 101 ARG HA 2 101 ARG HD3 4.000 . 5.000 4.506 4.322 4.656 . 0 0 "[ . 1 . 2 .]" 3
1707 2 101 ARG HA 2 101 ARG HD2 4.000 . 5.000 4.801 4.708 4.844 . 0 0 "[ . 1 . 2 .]" 3
1708 2 103 ILE HA 2 104 PRO HG2 4.000 . 5.000 4.415 4.371 4.488 . 0 0 "[ . 1 . 2 .]" 3
1709 2 103 ILE MG 2 105 ARG QG 3.000 . 4.300 3.909 3.184 4.349 0.049 23 0 "[ . 1 . 2 .]" 3
1710 2 103 ILE MG 2 105 ARG QD 3.000 . 4.300 3.593 2.235 4.256 . 0 0 "[ . 1 . 2 .]" 3
1711 2 103 ILE MG 2 105 ARG HA 4.000 . 5.500 3.202 2.496 4.442 . 0 0 "[ . 1 . 2 .]" 3
1712 2 105 ARG HB3 2 105 ARG QD 3.000 . 3.800 3.376 2.197 3.575 . 0 0 "[ . 1 . 2 .]" 3
1713 2 105 ARG HB2 2 105 ARG QD 3.000 . 3.800 2.545 2.115 3.289 . 0 0 "[ . 1 . 2 .]" 3
1714 2 105 ARG HA 2 105 ARG QD 2.500 . 3.200 2.990 2.183 3.286 0.086 21 0 "[ . 1 . 2 .]" 3
1715 2 105 ARG HA 2 106 GLU QG 4.000 . 5.500 4.692 3.857 5.701 0.201 13 0 "[ . 1 . 2 .]" 3
1716 2 106 GLU HA 2 106 GLU QG 3.000 . 3.800 2.424 2.180 2.917 . 0 0 "[ . 1 . 2 .]" 3
1717 2 107 VAL HA 2 107 VAL MG1 3.000 . 3.800 2.404 2.083 3.168 . 0 0 "[ . 1 . 2 .]" 3
1718 2 107 VAL HA 2 107 VAL MG2 3.000 . 3.800 2.834 2.209 3.194 . 0 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 89
_Distance_constraint_stats_list.Viol_count 265
_Distance_constraint_stats_list.Viol_total 534.212
_Distance_constraint_stats_list.Viol_max 0.262
_Distance_constraint_stats_list.Viol_rms 0.0341
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0096
_Distance_constraint_stats_list.Viol_average_violations_only 0.0806
_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 47 PHE 0.345 0.125 13 0 "[ . 1 . 2 .]"
1 52 SER 0.047 0.028 19 0 "[ . 1 . 2 .]"
1 53 VAL 2.111 0.179 10 0 "[ . 1 . 2 .]"
1 57 LEU 0.983 0.136 8 0 "[ . 1 . 2 .]"
1 85 ARG 4.327 0.262 12 0 "[ . 1 . 2 .]"
1 86 LEU 1.533 0.167 9 0 "[ . 1 . 2 .]"
1 88 LEU 0.012 0.012 23 0 "[ . 1 . 2 .]"
1 89 ILE 6.013 0.254 9 0 "[ . 1 . 2 .]"
1 92 ILE 0.588 0.096 20 0 "[ . 1 . 2 .]"
1 93 ALA 1.416 0.170 9 0 "[ . 1 . 2 .]"
1 96 CYS 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 97 GLU 1.912 0.165 19 0 "[ . 1 . 2 .]"
1 99 TYR 0.256 0.118 12 0 "[ . 1 . 2 .]"
1 100 ARG 0.233 0.071 14 0 "[ . 1 . 2 .]"
1 102 SER 0.095 0.054 20 0 "[ . 1 . 2 .]"
1 103 ILE 1.497 0.121 13 0 "[ . 1 . 2 .]"
2 47 PHE 0.402 0.121 13 0 "[ . 1 . 2 .]"
2 52 SER 0.233 0.071 14 0 "[ . 1 . 2 .]"
2 53 VAL 1.912 0.165 19 0 "[ . 1 . 2 .]"
2 57 LEU 0.879 0.170 9 0 "[ . 1 . 2 .]"
2 85 ARG 4.389 0.254 9 0 "[ . 1 . 2 .]"
2 86 LEU 1.628 0.244 9 0 "[ . 1 . 2 .]"
2 88 LEU 0.004 0.003 7 0 "[ . 1 . 2 .]"
2 89 ILE 5.872 0.262 12 0 "[ . 1 . 2 .]"
2 92 ILE 0.615 0.101 15 0 "[ . 1 . 2 .]"
2 93 ALA 1.485 0.136 8 0 "[ . 1 . 2 .]"
2 96 CYS 0.000 0.000 . 0 "[ . 1 . 2 .]"
2 97 GLU 2.111 0.179 10 0 "[ . 1 . 2 .]"
2 99 TYR 0.230 0.095 12 0 "[ . 1 . 2 .]"
2 100 ARG 0.047 0.028 19 0 "[ . 1 . 2 .]"
2 102 SER 0.040 0.020 22 0 "[ . 1 . 2 .]"
2 103 ILE 1.520 0.125 13 0 "[ . 1 . 2 .]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 47 PHE QE 2 103 ILE MD 3.000 . 3.800 3.520 2.715 3.925 0.125 13 0 "[ . 1 . 2 .]" 4
2 1 52 SER HA 2 100 ARG HD3 4.000 . 5.000 4.539 3.643 5.018 0.018 24 0 "[ . 1 . 2 .]" 4
3 1 52 SER HA 2 100 ARG HD2 4.000 . 5.000 4.652 3.867 5.028 0.028 19 0 "[ . 1 . 2 .]" 4
4 1 53 VAL MG2 2 93 ALA MB 3.000 . 4.300 2.878 2.522 3.261 . 0 0 "[ . 1 . 2 .]" 4
5 1 53 VAL MG2 2 93 ALA HA 3.000 . 3.800 2.756 2.326 3.211 . 0 0 "[ . 1 . 2 .]" 4
6 1 53 VAL MG1 2 93 ALA HA 2.500 . 3.200 2.797 2.472 3.148 . 0 0 "[ . 1 . 2 .]" 4
7 1 53 VAL MG1 2 93 ALA MB 2.500 . 3.700 1.998 1.873 2.194 . 0 0 "[ . 1 . 2 .]" 4
8 1 53 VAL HB 2 93 ALA MB 4.000 . 5.500 2.635 2.279 3.109 . 0 0 "[ . 1 . 2 .]" 4
9 1 53 VAL HB 2 93 ALA HA 4.000 . 5.000 4.143 3.724 4.518 . 0 0 "[ . 1 . 2 .]" 4
10 1 53 VAL MG2 2 96 CYS HB3 4.000 . 5.500 2.926 2.239 3.484 . 0 0 "[ . 1 . 2 .]" 4
11 1 53 VAL MG2 2 96 CYS HB2 4.000 . 5.500 4.028 3.336 4.528 . 0 0 "[ . 1 . 2 .]" 4
12 1 53 VAL MG2 2 97 GLU HA 3.000 . 3.800 3.874 3.656 3.979 0.179 10 0 "[ . 1 . 2 .]" 4
13 1 53 VAL MG2 2 97 GLU HB2 4.000 . 5.500 4.953 4.731 5.204 . 0 0 "[ . 1 . 2 .]" 4
14 1 53 VAL MG2 2 97 GLU HG2 4.000 . 5.500 2.869 2.211 3.358 . 0 0 "[ . 1 . 2 .]" 4
15 1 57 LEU HB3 2 86 LEU MD2 4.000 . 5.500 4.696 4.063 5.508 0.008 5 0 "[ . 1 . 2 .]" 4
16 1 57 LEU HG 2 89 ILE MG 4.000 . 5.500 4.102 3.809 4.365 . 0 0 "[ . 1 . 2 .]" 4
17 1 57 LEU MD1 2 93 ALA MB 2.500 . 3.700 3.142 2.945 3.228 . 0 0 "[ . 1 . 2 .]" 4
18 1 57 LEU MD2 2 93 ALA MB 2.500 . 3.700 3.728 3.529 3.836 0.136 8 0 "[ . 1 . 2 .]" 4
19 1 85 ARG HA 2 89 ILE MD 3.000 . 3.800 3.973 3.886 4.062 0.262 12 0 "[ . 1 . 2 .]" 4
20 1 86 LEU HA 2 89 ILE MD 4.000 . 5.500 5.520 5.086 5.667 0.167 9 0 "[ . 1 . 2 .]" 4
21 1 88 LEU HG 2 89 ILE MD 4.000 . 5.500 3.846 3.334 4.265 . 0 0 "[ . 1 . 2 .]" 4
22 1 88 LEU MD1 2 89 ILE MG 3.000 . 4.300 2.608 2.151 3.120 . 0 0 "[ . 1 . 2 .]" 4
23 1 88 LEU MD1 2 89 ILE MD 3.000 . 4.300 1.914 1.788 2.011 0.012 23 0 "[ . 1 . 2 .]" 4
24 1 89 ILE MD 2 89 ILE HA 3.000 . 3.800 2.978 2.572 3.571 . 0 0 "[ . 1 . 2 .]" 4
25 1 89 ILE MG 2 89 ILE HG13 4.000 . 5.500 4.658 4.076 5.229 . 0 0 "[ . 1 . 2 .]" 4
26 1 89 ILE MD 2 89 ILE HG13 4.000 . 5.500 2.781 2.213 3.329 . 0 0 "[ . 1 . 2 .]" 4
27 1 89 ILE MD 2 89 ILE MD 2.500 . 3.700 2.750 2.036 3.451 . 0 0 "[ . 1 . 2 .]" 4
28 1 89 ILE MD 2 89 ILE HB 4.000 . 5.500 4.444 4.176 4.980 . 0 0 "[ . 1 . 2 .]" 4
29 1 92 ILE MD 2 92 ILE HG13 4.000 . 5.500 2.890 2.327 5.537 0.037 23 0 "[ . 1 . 2 .]" 4
30 1 92 ILE MD 2 92 ILE HB 4.000 . 5.500 4.350 3.822 4.679 . 0 0 "[ . 1 . 2 .]" 4
31 1 92 ILE MG 2 93 ALA HA 4.000 . 5.500 5.194 3.360 5.497 . 0 0 "[ . 1 . 2 .]" 4
32 1 92 ILE MG 2 93 ALA MB 3.000 . 4.300 4.238 3.536 4.396 0.096 20 0 "[ . 1 . 2 .]" 4
33 1 89 ILE MG 2 93 ALA MB 3.000 . 4.300 2.939 2.578 3.465 . 0 0 "[ . 1 . 2 .]" 4
34 1 92 ILE MD 2 93 ALA HA 4.000 . 5.500 3.795 3.210 4.430 . 0 0 "[ . 1 . 2 .]" 4
35 1 99 TYR QE 2 100 ARG QG 4.000 . 5.500 3.946 2.729 5.042 . 0 0 "[ . 1 . 2 .]" 4
36 1 99 TYR QE 2 103 ILE MD 4.000 . 5.500 4.307 3.110 4.768 . 0 0 "[ . 1 . 2 .]" 4
37 1 99 TYR QD 2 103 ILE MG 4.000 . 5.500 4.387 3.289 5.357 . 0 0 "[ . 1 . 2 .]" 4
38 1 99 TYR HA 2 103 ILE MD 3.000 . 3.800 2.813 2.368 3.327 . 0 0 "[ . 1 . 2 .]" 4
39 1 99 TYR QD 2 103 ILE MD 2.500 . 3.200 2.891 1.940 3.318 0.118 12 0 "[ . 1 . 2 .]" 4
40 1 102 SER QB 2 103 ILE MG 3.000 . 4.300 3.005 2.117 3.644 . 0 0 "[ . 1 . 2 .]" 4
41 1 102 SER HA 2 103 ILE MG 4.000 . 5.500 4.850 4.110 5.403 . 0 0 "[ . 1 . 2 .]" 4
42 1 102 SER QB 2 103 ILE MD 3.000 . 4.300 2.266 1.882 3.159 . 0 0 "[ . 1 . 2 .]" 4
43 1 102 SER QB 2 103 ILE HG12 4.000 . 5.000 4.574 4.038 5.054 0.054 20 0 "[ . 1 . 2 .]" 4
44 1 103 ILE HG13 2 103 ILE HG12 4.000 . 5.000 4.872 4.167 5.063 0.063 13 0 "[ . 1 . 2 .]" 4
45 1 103 ILE MD 2 103 ILE HA 4.000 . 5.500 3.610 2.650 4.425 . 0 0 "[ . 1 . 2 .]" 4
46 1 103 ILE MD 2 47 PHE QE 3.000 . 3.800 3.520 2.717 3.921 0.121 13 0 "[ . 1 . 2 .]" 4
47 1 100 ARG HD3 2 52 SER HA 4.000 . 5.000 4.552 3.906 5.038 0.038 20 0 "[ . 1 . 2 .]" 4
48 1 100 ARG HD2 2 52 SER HA 4.000 . 5.000 4.664 3.879 5.071 0.071 14 0 "[ . 1 . 2 .]" 4
49 1 93 ALA MB 2 53 VAL MG2 3.000 . 4.300 2.857 2.572 3.238 . 0 0 "[ . 1 . 2 .]" 4
50 1 93 ALA HA 2 53 VAL MG2 3.000 . 3.800 2.733 2.247 3.114 . 0 0 "[ . 1 . 2 .]" 4
51 1 93 ALA HA 2 53 VAL MG1 2.500 . 3.200 2.788 2.466 3.149 . 0 0 "[ . 1 . 2 .]" 4
52 1 93 ALA MB 2 53 VAL MG1 2.500 . 3.700 1.979 1.835 2.338 . 0 0 "[ . 1 . 2 .]" 4
53 1 93 ALA MB 2 53 VAL HB 4.000 . 5.500 2.601 2.232 3.331 . 0 0 "[ . 1 . 2 .]" 4
54 1 93 ALA HA 2 53 VAL HB 4.000 . 5.000 4.126 3.741 4.654 . 0 0 "[ . 1 . 2 .]" 4
55 1 96 CYS HB3 2 53 VAL MG2 4.000 . 5.500 3.279 2.913 3.610 . 0 0 "[ . 1 . 2 .]" 4
56 1 96 CYS HB2 2 53 VAL MG2 4.000 . 5.500 3.042 2.506 3.528 . 0 0 "[ . 1 . 2 .]" 4
57 1 97 GLU HA 2 53 VAL MG2 3.000 . 3.800 3.876 3.776 3.965 0.165 19 0 "[ . 1 . 2 .]" 4
58 1 97 GLU HB2 2 53 VAL MG2 4.000 . 5.500 4.940 4.653 5.215 . 0 0 "[ . 1 . 2 .]" 4
59 1 97 GLU HG2 2 53 VAL MG2 4.000 . 5.500 2.857 2.445 3.425 . 0 0 "[ . 1 . 2 .]" 4
60 1 86 LEU MD2 2 57 LEU HB3 4.000 . 5.500 4.660 4.105 5.302 . 0 0 "[ . 1 . 2 .]" 4
61 1 89 ILE MG 2 57 LEU HG 4.000 . 5.500 4.087 3.830 4.355 . 0 0 "[ . 1 . 2 .]" 4
62 1 93 ALA MB 2 57 LEU MD1 2.500 . 3.700 3.138 3.047 3.256 . 0 0 "[ . 1 . 2 .]" 4
63 1 93 ALA MB 2 57 LEU MD2 2.500 . 3.700 3.721 3.555 3.870 0.170 9 0 "[ . 1 . 2 .]" 4
64 1 89 ILE MD 2 85 ARG HA 3.000 . 3.800 3.976 3.859 4.054 0.254 9 0 "[ . 1 . 2 .]" 4
65 1 89 ILE MD 2 86 LEU HA 4.000 . 5.500 5.519 5.066 5.744 0.244 9 0 "[ . 1 . 2 .]" 4
66 1 89 ILE MD 2 88 LEU HG 4.000 . 5.500 3.839 3.394 4.195 . 0 0 "[ . 1 . 2 .]" 4
67 1 89 ILE MG 2 88 LEU MD1 3.000 . 4.300 2.604 2.220 3.155 . 0 0 "[ . 1 . 2 .]" 4
68 1 89 ILE MD 2 88 LEU MD1 3.000 . 4.300 1.907 1.797 2.122 0.003 7 0 "[ . 1 . 2 .]" 4
69 1 89 ILE HA 2 89 ILE MD 3.000 . 3.800 2.990 2.493 3.540 . 0 0 "[ . 1 . 2 .]" 4
70 1 89 ILE HG13 2 89 ILE MG 4.000 . 5.500 4.653 4.080 5.178 . 0 0 "[ . 1 . 2 .]" 4
71 1 89 ILE HG13 2 89 ILE MD 4.000 . 5.500 2.783 2.174 3.321 . 0 0 "[ . 1 . 2 .]" 4
72 1 89 ILE HB 2 89 ILE MD 4.000 . 5.500 4.451 4.140 4.961 . 0 0 "[ . 1 . 2 .]" 4
73 1 92 ILE HG13 2 92 ILE MD 4.000 . 5.500 2.887 2.306 5.540 0.040 23 0 "[ . 1 . 2 .]" 4
74 1 92 ILE HB 2 92 ILE MD 4.000 . 5.500 4.353 3.818 4.704 . 0 0 "[ . 1 . 2 .]" 4
75 1 93 ALA HA 2 92 ILE MG 4.000 . 5.500 5.188 3.358 5.505 0.005 16 0 "[ . 1 . 2 .]" 4
76 1 93 ALA MB 2 92 ILE MG 3.000 . 4.300 4.224 3.537 4.401 0.101 15 0 "[ . 1 . 2 .]" 4
77 1 93 ALA MB 2 89 ILE MG 3.000 . 4.300 2.933 2.604 3.415 . 0 0 "[ . 1 . 2 .]" 4
78 1 93 ALA HA 2 92 ILE MD 4.000 . 5.500 3.800 3.386 4.403 . 0 0 "[ . 1 . 2 .]" 4
79 1 100 ARG QG 2 99 TYR QE 4.000 . 5.500 3.923 2.821 5.175 . 0 0 "[ . 1 . 2 .]" 4
80 1 103 ILE MD 2 99 TYR QE 4.000 . 5.500 4.316 3.136 4.730 . 0 0 "[ . 1 . 2 .]" 4
81 1 103 ILE MG 2 99 TYR QD 4.000 . 5.500 4.395 3.520 5.404 . 0 0 "[ . 1 . 2 .]" 4
82 1 103 ILE MD 2 99 TYR HA 3.000 . 3.800 2.817 2.362 3.290 . 0 0 "[ . 1 . 2 .]" 4
83 1 103 ILE MD 2 99 TYR QD 2.500 . 3.200 2.898 1.925 3.295 0.095 12 0 "[ . 1 . 2 .]" 4
84 1 103 ILE MG 2 102 SER QB 3.000 . 4.300 2.994 2.124 3.664 . 0 0 "[ . 1 . 2 .]" 4
85 1 103 ILE MG 2 102 SER HA 4.000 . 5.500 4.835 4.130 5.347 . 0 0 "[ . 1 . 2 .]" 4
86 1 103 ILE MD 2 102 SER QB 3.000 . 4.300 2.253 1.873 3.125 . 0 0 "[ . 1 . 2 .]" 4
87 1 103 ILE HG12 2 102 SER QB 4.000 . 5.000 4.563 4.047 5.020 0.020 22 0 "[ . 1 . 2 .]" 4
88 1 103 ILE HG12 2 103 ILE HG13 4.000 . 5.000 4.876 4.160 5.070 0.070 6 0 "[ . 1 . 2 .]" 4
89 1 103 ILE HA 2 103 ILE MD 4.000 . 5.500 3.621 2.574 4.419 . 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 10
_Distance_constraint_stats_list.Viol_count 62
_Distance_constraint_stats_list.Viol_total 77.927
_Distance_constraint_stats_list.Viol_max 0.138
_Distance_constraint_stats_list.Viol_rms 0.0265
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0125
_Distance_constraint_stats_list.Viol_average_violations_only 0.0503
_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 53 VAL 0.084 0.069 24 0 "[ . 1 . 2 .]"
1 57 LEU 0.813 0.078 23 0 "[ . 1 . 2 .]"
1 93 ALA 0.742 0.087 9 0 "[ . 1 . 2 .]"
1 97 GLU 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 99 TYR 0.857 0.138 3 0 "[ . 1 . 2 .]"
1 100 ARG 0.622 0.113 19 0 "[ . 1 . 2 .]"
2 53 VAL 0.000 0.000 . 0 "[ . 1 . 2 .]"
2 57 LEU 0.742 0.087 9 0 "[ . 1 . 2 .]"
2 93 ALA 0.813 0.078 23 0 "[ . 1 . 2 .]"
2 97 GLU 0.084 0.069 24 0 "[ . 1 . 2 .]"
2 99 TYR 0.622 0.113 19 0 "[ . 1 . 2 .]"
2 100 ARG 0.857 0.138 3 0 "[ . 1 . 2 .]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 53 VAL MG1 2 97 GLU HG3 4.000 . 5.500 5.025 4.512 5.569 0.069 24 0 "[ . 1 . 2 .]" 5
2 1 97 GLU HG3 2 53 VAL MG1 4.000 . 5.500 5.020 4.489 5.471 . 0 0 "[ . 1 . 2 .]" 5
3 1 57 LEU MD1 2 93 ALA HA 4.000 . 5.500 5.518 5.341 5.578 0.078 23 0 "[ . 1 . 2 .]" 5
4 1 93 ALA HA 2 57 LEU MD1 4.000 . 5.500 5.520 5.433 5.587 0.087 9 0 "[ . 1 . 2 .]" 5
5 1 99 TYR QE 2 100 ARG HD3 4.000 . 5.000 4.581 3.221 5.138 0.138 3 0 "[ . 1 . 2 .]" 5
6 1 100 ARG HD3 2 99 TYR QE 4.000 . 5.000 4.560 3.322 5.076 0.076 13 0 "[ . 1 . 2 .]" 5
7 1 99 TYR QE 2 100 ARG HD2 4.000 . 5.000 4.169 3.118 5.033 0.033 2 0 "[ . 1 . 2 .]" 5
8 1 100 ARG HD2 2 99 TYR QE 4.000 . 5.000 4.141 3.349 5.038 0.038 4 0 "[ . 1 . 2 .]" 5
9 1 99 TYR QE 2 100 ARG HA 4.000 . 5.000 4.628 4.153 5.085 0.085 10 0 "[ . 1 . 2 .]" 5
10 1 100 ARG HA 2 99 TYR QE 4.000 . 5.000 4.614 4.115 5.113 0.113 19 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 102
_Distance_constraint_stats_list.Viol_count 79
_Distance_constraint_stats_list.Viol_total 319.011
_Distance_constraint_stats_list.Viol_max 0.281
_Distance_constraint_stats_list.Viol_rms 0.0338
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0050
_Distance_constraint_stats_list.Viol_average_violations_only 0.1615
_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 11 ARG 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 12 LYS 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 13 LEU 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 14 LEU 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 15 ASP 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 17 LEU 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 18 ARG 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 20 ILE 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 21 TYR 0.277 0.040 9 0 "[ . 1 . 2 .]"
1 22 ARG 6.337 0.281 24 0 "[ . 1 . 2 .]"
1 23 THR 6.060 0.281 24 0 "[ . 1 . 2 .]"
1 24 ILE 6.060 0.281 24 0 "[ . 1 . 2 .]"
1 25 VAL 0.277 0.040 9 0 "[ . 1 . 2 .]"
1 26 LEU 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 27 GLU 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 28 TYR 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 29 PHE 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 35 VAL 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 36 ASN 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 38 ARG 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 39 ILE 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 40 ASP 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 41 GLU 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 48 PHE 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 49 ALA 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 50 ASP 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 51 ILE 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 52 SER 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 53 VAL 0.051 0.051 8 0 "[ . 1 . 2 .]"
1 54 SER 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 55 GLN 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 56 VAL 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 58 GLU 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 59 ILE 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 60 HIS 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 61 VAL 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 62 GLU 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 63 LEU 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 64 MET 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 65 ASP 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 66 THR 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 67 PHE 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 73 LEU 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 78 GLU 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 81 LEU 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 82 LEU 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 83 ASP 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 85 ARG 0.031 0.031 11 0 "[ . 1 . 2 .]"
1 87 THR 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 88 LEU 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 89 ILE 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 93 ALA 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 94 HIS 0.031 0.031 11 0 "[ . 1 . 2 .]"
1 95 LEU 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 96 CYS 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 97 GLU 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 98 MET 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 99 TYR 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 100 ARG 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 101 ARG 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 102 SER 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 103 ILE 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 104 PRO 0.000 0.000 . 0 "[ . 1 . 2 .]"
2 11 ARG 0.000 0.000 . 0 "[ . 1 . 2 .]"
2 12 LYS 0.000 0.000 . 0 "[ . 1 . 2 .]"
2 13 LEU 0.000 0.000 . 0 "[ . 1 . 2 .]"
2 14 LEU 0.000 0.000 . 0 "[ . 1 . 2 .]"
2 15 ASP 0.000 0.000 . 0 "[ . 1 . 2 .]"
2 17 LEU 0.000 0.000 . 0 "[ . 1 . 2 .]"
2 18 ARG 0.000 0.000 . 0 "[ . 1 . 2 .]"
2 20 ILE 0.000 0.000 . 0 "[ . 1 . 2 .]"
2 21 TYR 0.285 0.043 9 0 "[ . 1 . 2 .]"
2 22 ARG 6.340 0.279 24 0 "[ . 1 . 2 .]"
2 23 THR 6.055 0.279 24 0 "[ . 1 . 2 .]"
2 24 ILE 6.055 0.279 24 0 "[ . 1 . 2 .]"
2 25 VAL 0.285 0.043 9 0 "[ . 1 . 2 .]"
2 26 LEU 0.000 0.000 . 0 "[ . 1 . 2 .]"
2 27 GLU 0.000 0.000 . 0 "[ . 1 . 2 .]"
2 28 TYR 0.000 0.000 . 0 "[ . 1 . 2 .]"
2 29 PHE 0.000 0.000 . 0 "[ . 1 . 2 .]"
2 35 VAL 0.000 0.000 . 0 "[ . 1 . 2 .]"
2 36 ASN 0.000 0.000 . 0 "[ . 1 . 2 .]"
2 38 ARG 0.000 0.000 . 0 "[ . 1 . 2 .]"
2 39 ILE 0.000 0.000 . 0 "[ . 1 . 2 .]"
2 40 ASP 0.000 0.000 . 0 "[ . 1 . 2 .]"
2 41 GLU 0.000 0.000 . 0 "[ . 1 . 2 .]"
2 48 PHE 0.000 0.000 . 0 "[ . 1 . 2 .]"
2 49 ALA 0.000 0.000 . 0 "[ . 1 . 2 .]"
2 50 ASP 0.000 0.000 . 0 "[ . 1 . 2 .]"
2 51 ILE 0.000 0.000 . 0 "[ . 1 . 2 .]"
2 52 SER 0.000 0.000 . 0 "[ . 1 . 2 .]"
2 53 VAL 0.031 0.031 11 0 "[ . 1 . 2 .]"
2 54 SER 0.000 0.000 . 0 "[ . 1 . 2 .]"
2 55 GLN 0.000 0.000 . 0 "[ . 1 . 2 .]"
2 56 VAL 0.000 0.000 . 0 "[ . 1 . 2 .]"
2 58 GLU 0.000 0.000 . 0 "[ . 1 . 2 .]"
2 59 ILE 0.000 0.000 . 0 "[ . 1 . 2 .]"
2 60 HIS 0.000 0.000 . 0 "[ . 1 . 2 .]"
2 61 VAL 0.000 0.000 . 0 "[ . 1 . 2 .]"
2 62 GLU 0.000 0.000 . 0 "[ . 1 . 2 .]"
2 63 LEU 0.000 0.000 . 0 "[ . 1 . 2 .]"
2 64 MET 0.000 0.000 . 0 "[ . 1 . 2 .]"
2 65 ASP 0.000 0.000 . 0 "[ . 1 . 2 .]"
2 66 THR 0.000 0.000 . 0 "[ . 1 . 2 .]"
2 67 PHE 0.000 0.000 . 0 "[ . 1 . 2 .]"
2 73 LEU 0.000 0.000 . 0 "[ . 1 . 2 .]"
2 78 GLU 0.000 0.000 . 0 "[ . 1 . 2 .]"
2 81 LEU 0.000 0.000 . 0 "[ . 1 . 2 .]"
2 82 LEU 0.000 0.000 . 0 "[ . 1 . 2 .]"
2 83 ASP 0.000 0.000 . 0 "[ . 1 . 2 .]"
2 85 ARG 0.051 0.051 8 0 "[ . 1 . 2 .]"
2 87 THR 0.000 0.000 . 0 "[ . 1 . 2 .]"
2 88 LEU 0.000 0.000 . 0 "[ . 1 . 2 .]"
2 89 ILE 0.000 0.000 . 0 "[ . 1 . 2 .]"
2 93 ALA 0.000 0.000 . 0 "[ . 1 . 2 .]"
2 94 HIS 0.051 0.051 8 0 "[ . 1 . 2 .]"
2 95 LEU 0.000 0.000 . 0 "[ . 1 . 2 .]"
2 96 CYS 0.000 0.000 . 0 "[ . 1 . 2 .]"
2 97 GLU 0.000 0.000 . 0 "[ . 1 . 2 .]"
2 98 MET 0.000 0.000 . 0 "[ . 1 . 2 .]"
2 99 TYR 0.000 0.000 . 0 "[ . 1 . 2 .]"
2 100 ARG 0.000 0.000 . 0 "[ . 1 . 2 .]"
2 101 ARG 0.000 0.000 . 0 "[ . 1 . 2 .]"
2 102 SER 0.000 0.000 . 0 "[ . 1 . 2 .]"
2 103 ILE 0.000 0.000 . 0 "[ . 1 . 2 .]"
2 104 PRO 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 12 LYS HA 1 15 ASP H 3.000 . 3.500 3.078 2.923 3.177 . 0 0 "[ . 1 . 2 .]" 6
2 1 13 LEU HB2 1 14 LEU H 2.500 . 2.900 2.348 2.306 2.365 . 0 0 "[ . 1 . 2 .]" 6
3 1 11 ARG HA 1 15 ASP H 4.000 . 5.000 3.332 3.253 3.375 . 0 0 "[ . 1 . 2 .]" 6
4 1 15 ASP H 1 17 LEU HB2 4.000 . 5.000 4.300 4.222 4.368 . 0 0 "[ . 1 . 2 .]" 6
5 1 17 LEU HA 1 21 TYR H 4.000 . 5.000 3.066 2.961 3.264 . 0 0 "[ . 1 . 2 .]" 6
6 1 20 ILE H 1 20 ILE HB 2.500 . 2.900 2.020 1.939 2.072 . 0 0 "[ . 1 . 2 .]" 6
7 1 21 TYR HA 1 25 VAL H 3.000 . 3.500 3.485 3.312 3.540 0.040 9 0 "[ . 1 . 2 .]" 6
8 1 22 ARG HG3 1 23 THR H 3.000 . 3.500 3.742 3.714 3.781 0.281 24 0 "[ . 1 . 2 .]" 6
9 1 22 ARG H 1 63 LEU QD 3.000 . 4.000 3.227 2.802 3.449 . 0 0 "[ . 1 . 2 .]" 6
10 1 24 ILE H 1 25 VAL H 2.500 . 2.900 2.411 2.378 2.453 . 0 0 "[ . 1 . 2 .]" 6
11 1 24 ILE HA 1 27 GLU H 4.000 . 5.000 3.245 3.080 3.476 . 0 0 "[ . 1 . 2 .]" 6
12 1 24 ILE HA 1 28 TYR H 4.000 . 5.000 3.176 3.058 3.273 . 0 0 "[ . 1 . 2 .]" 6
13 1 24 ILE MD 1 38 ARG H 4.000 . 5.500 4.348 4.126 4.611 . 0 0 "[ . 1 . 2 .]" 6
14 1 24 ILE MD 1 39 ILE H 3.000 . 4.000 3.090 2.965 3.306 . 0 0 "[ . 1 . 2 .]" 6
15 1 25 VAL H 1 26 LEU H 2.500 . 2.900 2.321 2.289 2.377 . 0 0 "[ . 1 . 2 .]" 6
16 1 26 LEU H 1 26 LEU QD 3.000 . 4.000 3.239 3.162 3.297 . 0 0 "[ . 1 . 2 .]" 6
17 1 26 LEU MD2 1 27 GLU H 4.000 . 5.500 4.016 3.845 4.194 . 0 0 "[ . 1 . 2 .]" 6
18 1 28 TYR HB2 1 29 PHE H 3.000 . 3.500 3.282 3.236 3.325 . 0 0 "[ . 1 . 2 .]" 6
19 1 38 ARG H 1 39 ILE MD 4.000 . 5.500 4.856 4.750 5.040 . 0 0 "[ . 1 . 2 .]" 6
20 1 36 ASN HB3 1 38 ARG H 4.000 . 6.000 4.307 4.228 4.376 . 0 0 "[ . 1 . 2 .]" 6
21 1 39 ILE H 1 39 ILE MD 3.000 . 3.500 3.130 3.081 3.214 . 0 0 "[ . 1 . 2 .]" 6
22 1 39 ILE H 1 41 GLU H 4.000 . 5.000 3.913 3.797 4.019 . 0 0 "[ . 1 . 2 .]" 6
23 1 48 PHE H 1 49 ALA MB 4.000 . 6.500 4.112 4.036 4.193 . 0 0 "[ . 1 . 2 .]" 6
24 1 48 PHE HA 1 50 ASP H 3.000 . 3.500 2.920 2.816 3.027 . 0 0 "[ . 1 . 2 .]" 6
25 1 52 SER HB2 1 55 GLN H 3.000 . 3.500 3.362 2.833 3.483 . 0 0 "[ . 1 . 2 .]" 6
26 1 53 VAL H 1 53 VAL HB 3.000 . 3.500 2.479 2.413 2.573 . 0 0 "[ . 1 . 2 .]" 6
27 1 56 VAL MG1 1 60 HIS H 3.000 . 4.000 3.302 3.206 3.376 . 0 0 "[ . 1 . 2 .]" 6
28 1 58 GLU H 1 58 GLU HB2 2.500 . 2.900 2.315 2.016 2.392 . 0 0 "[ . 1 . 2 .]" 6
29 1 58 GLU HB2 1 60 HIS H 4.000 . 5.000 4.181 4.158 4.209 . 0 0 "[ . 1 . 2 .]" 6
30 1 60 HIS HA 1 64 MET H 3.000 . 3.500 3.145 2.979 3.256 . 0 0 "[ . 1 . 2 .]" 6
31 1 61 VAL MG1 1 65 ASP H 4.000 . 6.500 4.088 3.940 4.288 . 0 0 "[ . 1 . 2 .]" 6
32 1 61 VAL HB 1 62 GLU H 2.500 . 2.900 2.153 2.126 2.177 . 0 0 "[ . 1 . 2 .]" 6
33 1 62 GLU HB3 1 66 THR H 4.000 . 6.000 4.175 3.925 4.364 . 0 0 "[ . 1 . 2 .]" 6
34 1 59 ILE MG 1 63 LEU H 3.000 . 4.000 3.518 3.338 3.671 . 0 0 "[ . 1 . 2 .]" 6
35 1 63 LEU H 1 65 ASP H 3.000 . 3.500 2.517 2.483 2.616 . 0 0 "[ . 1 . 2 .]" 6
36 1 63 LEU HA 1 67 PHE H 3.000 . 3.500 3.334 3.174 3.402 . 0 0 "[ . 1 . 2 .]" 6
37 1 73 LEU H 1 73 LEU QD 4.000 . 5.500 2.941 2.352 3.078 . 0 0 "[ . 1 . 2 .]" 6
38 1 78 GLU HA 1 82 LEU H 3.000 . 3.500 3.266 3.199 3.351 . 0 0 "[ . 1 . 2 .]" 6
39 1 81 LEU H 1 82 LEU H 4.000 . 5.000 2.498 2.436 2.589 . 0 0 "[ . 1 . 2 .]" 6
40 1 85 ARG HA 1 89 ILE H 4.000 . 5.000 3.357 3.212 3.424 . 0 0 "[ . 1 . 2 .]" 6
41 1 85 ARG HD2 1 94 HIS H 4.000 . 5.500 5.187 4.934 5.531 0.031 11 0 "[ . 1 . 2 .]" 6
42 1 87 THR MG 1 88 LEU H 3.000 . 4.000 3.347 3.194 3.445 . 0 0 "[ . 1 . 2 .]" 6
43 1 88 LEU H 1 89 ILE HB 4.000 . 5.000 4.188 4.084 4.341 . 0 0 "[ . 1 . 2 .]" 6
44 1 89 ILE H 1 89 ILE MD 3.000 . 4.000 3.048 2.926 3.183 . 0 0 "[ . 1 . 2 .]" 6
45 1 93 ALA HA 1 96 CYS H 3.000 . 3.500 3.178 3.082 3.260 . 0 0 "[ . 1 . 2 .]" 6
46 1 98 MET H 1 99 TYR H 2.500 . 2.900 2.521 2.387 2.599 . 0 0 "[ . 1 . 2 .]" 6
47 1 98 MET H 1 100 ARG H 4.000 . 5.000 3.651 3.406 3.885 . 0 0 "[ . 1 . 2 .]" 6
48 1 99 TYR HB3 1 100 ARG H 4.000 . 5.000 3.313 3.143 3.490 . 0 0 "[ . 1 . 2 .]" 6
49 1 100 ARG H 1 101 ARG HB2 4.000 . 6.000 4.686 4.575 4.788 . 0 0 "[ . 1 . 2 .]" 6
50 1 98 MET HB2 1 102 SER H 4.000 . 5.000 4.702 4.127 4.966 . 0 0 "[ . 1 . 2 .]" 6
51 1 103 ILE H 1 104 PRO HD3 4.000 . 5.000 4.053 3.775 4.300 . 0 0 "[ . 1 . 2 .]" 6
52 1 103 ILE H 1 104 PRO HD2 4.000 . 5.000 4.752 4.618 4.914 . 0 0 "[ . 1 . 2 .]" 6
53 2 12 LYS HA 2 15 ASP H 3.000 . 3.500 3.078 2.922 3.176 . 0 0 "[ . 1 . 2 .]" 6
54 2 13 LEU HB2 2 14 LEU H 2.500 . 2.900 2.348 2.306 2.366 . 0 0 "[ . 1 . 2 .]" 6
55 2 11 ARG HA 2 15 ASP H 4.000 . 5.000 3.332 3.254 3.377 . 0 0 "[ . 1 . 2 .]" 6
56 1 38 ARG HB2 2 15 ASP H 4.000 . 5.000 4.887 4.779 4.971 . 0 0 "[ . 1 . 2 .]" 6
57 2 17 LEU HA 2 21 TYR H 4.000 . 5.000 3.066 2.962 3.264 . 0 0 "[ . 1 . 2 .]" 6
58 2 20 ILE H 2 20 ILE HB 2.500 . 2.900 2.020 1.938 2.074 . 0 0 "[ . 1 . 2 .]" 6
59 2 21 TYR HA 2 25 VAL H 3.000 . 3.500 3.486 3.312 3.543 0.043 9 0 "[ . 1 . 2 .]" 6
60 2 22 ARG HG3 2 23 THR H 3.000 . 3.500 3.742 3.713 3.779 0.279 24 0 "[ . 1 . 2 .]" 6
61 2 22 ARG H 2 63 LEU QD 3.000 . 4.000 3.227 2.801 3.449 . 0 0 "[ . 1 . 2 .]" 6
62 2 24 ILE H 2 25 VAL H 2.500 . 2.900 2.411 2.378 2.453 . 0 0 "[ . 1 . 2 .]" 6
63 2 24 ILE HA 2 27 GLU H 4.000 . 5.000 3.245 3.078 3.478 . 0 0 "[ . 1 . 2 .]" 6
64 2 24 ILE HA 2 28 TYR H 4.000 . 5.000 3.176 3.059 3.273 . 0 0 "[ . 1 . 2 .]" 6
65 2 24 ILE MD 2 38 ARG H 4.000 . 5.500 4.348 4.124 4.611 . 0 0 "[ . 1 . 2 .]" 6
66 2 24 ILE MD 2 39 ILE H 3.000 . 4.000 3.090 2.966 3.306 . 0 0 "[ . 1 . 2 .]" 6
67 2 25 VAL H 2 26 LEU H 2.500 . 2.900 2.321 2.289 2.378 . 0 0 "[ . 1 . 2 .]" 6
68 2 26 LEU H 2 26 LEU QD 3.000 . 4.000 3.239 3.162 3.297 . 0 0 "[ . 1 . 2 .]" 6
69 2 26 LEU MD2 2 27 GLU H 4.000 . 5.500 4.016 3.845 4.194 . 0 0 "[ . 1 . 2 .]" 6
70 2 28 TYR HB2 2 29 PHE H 3.000 . 3.500 3.282 3.237 3.324 . 0 0 "[ . 1 . 2 .]" 6
71 2 38 ARG H 2 39 ILE MD 4.000 . 5.500 4.856 4.749 5.041 . 0 0 "[ . 1 . 2 .]" 6
72 2 36 ASN HB3 2 38 ARG H 4.000 . 6.000 4.307 4.229 4.375 . 0 0 "[ . 1 . 2 .]" 6
73 2 39 ILE H 2 39 ILE MD 3.000 . 3.500 3.130 3.081 3.215 . 0 0 "[ . 1 . 2 .]" 6
74 1 83 ASP H 2 39 ILE H 4.000 . 5.000 4.323 4.158 4.459 . 0 0 "[ . 1 . 2 .]" 6
75 2 48 PHE H 2 49 ALA MB 4.000 . 6.500 4.112 4.036 4.194 . 0 0 "[ . 1 . 2 .]" 6
76 2 48 PHE HA 2 50 ASP H 3.000 . 3.500 2.919 2.817 3.026 . 0 0 "[ . 1 . 2 .]" 6
77 2 52 SER HB2 2 55 GLN H 3.000 . 3.500 3.362 2.832 3.484 . 0 0 "[ . 1 . 2 .]" 6
78 1 97 GLU HG2 2 53 VAL H 3.000 . 3.500 2.478 2.401 2.573 . 0 0 "[ . 1 . 2 .]" 6
79 2 56 VAL MG1 2 60 HIS H 3.000 . 4.000 3.302 3.206 3.376 . 0 0 "[ . 1 . 2 .]" 6
80 2 58 GLU H 2 58 GLU HB2 2.500 . 2.900 2.315 2.016 2.392 . 0 0 "[ . 1 . 2 .]" 6
81 2 58 GLU HB2 2 60 HIS H 4.000 . 5.000 4.182 4.158 4.210 . 0 0 "[ . 1 . 2 .]" 6
82 2 60 HIS HA 2 64 MET H 3.000 . 3.500 3.145 2.979 3.255 . 0 0 "[ . 1 . 2 .]" 6
83 2 61 VAL MG1 2 65 ASP H 4.000 . 6.500 4.088 3.940 4.287 . 0 0 "[ . 1 . 2 .]" 6
84 2 61 VAL HB 2 62 GLU H 2.500 . 2.900 2.153 2.127 2.177 . 0 0 "[ . 1 . 2 .]" 6
85 2 62 GLU HB3 2 66 THR H 4.000 . 6.000 4.175 3.926 4.365 . 0 0 "[ . 1 . 2 .]" 6
86 2 59 ILE MG 2 63 LEU H 3.000 . 4.000 3.518 3.337 3.671 . 0 0 "[ . 1 . 2 .]" 6
87 2 63 LEU H 2 65 ASP H 3.000 . 3.500 2.517 2.481 2.617 . 0 0 "[ . 1 . 2 .]" 6
88 2 63 LEU HA 2 67 PHE H 3.000 . 3.500 3.334 3.175 3.402 . 0 0 "[ . 1 . 2 .]" 6
89 2 73 LEU H 2 73 LEU QD 4.000 . 5.500 2.941 2.353 3.078 . 0 0 "[ . 1 . 2 .]" 6
90 2 78 GLU HA 2 82 LEU H 3.000 . 3.500 3.266 3.198 3.351 . 0 0 "[ . 1 . 2 .]" 6
91 2 81 LEU H 2 82 LEU H 4.000 . 5.000 2.498 2.435 2.592 . 0 0 "[ . 1 . 2 .]" 6
92 2 85 ARG HA 2 89 ILE H 4.000 . 5.000 3.357 3.211 3.425 . 0 0 "[ . 1 . 2 .]" 6
93 1 53 VAL MG1 2 94 HIS H 4.000 . 5.500 5.206 4.947 5.551 0.051 8 0 "[ . 1 . 2 .]" 6
94 2 87 THR MG 2 88 LEU H 3.000 . 4.000 3.347 3.195 3.442 . 0 0 "[ . 1 . 2 .]" 6
95 2 88 LEU H 2 89 ILE HB 4.000 . 5.000 4.188 4.084 4.341 . 0 0 "[ . 1 . 2 .]" 6
96 1 89 ILE MD 2 89 ILE H 3.000 . 4.000 3.044 2.911 3.199 . 0 0 "[ . 1 . 2 .]" 6
97 2 93 ALA HA 2 96 CYS H 3.000 . 3.500 3.172 3.078 3.248 . 0 0 "[ . 1 . 2 .]" 6
98 2 98 MET H 2 99 TYR H 2.500 . 2.900 2.521 2.387 2.601 . 0 0 "[ . 1 . 2 .]" 6
99 1 99 TYR HB3 2 100 ARG H 4.000 . 5.000 3.654 3.432 3.907 . 0 0 "[ . 1 . 2 .]" 6
100 1 99 TYR HB3 2 100 ARG H 4.000 . 5.000 3.315 3.130 3.490 . 0 0 "[ . 1 . 2 .]" 6
101 2 100 ARG H 2 101 ARG HB2 4.000 . 6.000 4.686 4.576 4.788 . 0 0 "[ . 1 . 2 .]" 6
102 2 98 MET HB2 2 102 SER H 4.000 . 5.000 4.702 4.128 4.963 . 0 0 "[ . 1 . 2 .]" 6
stop_
save_
save_distance_constraint_statistics_7
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 7
_Distance_constraint_stats_list.Constraint_count 1169
_Distance_constraint_stats_list.Viol_count 2599
_Distance_constraint_stats_list.Viol_total 5476.078
_Distance_constraint_stats_list.Viol_max 0.284
_Distance_constraint_stats_list.Viol_rms 0.0306
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0075
_Distance_constraint_stats_list.Viol_average_violations_only 0.0843
_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 8 ALA 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 10 LYS 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 11 ARG 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 12 LYS 0.016 0.016 19 0 "[ . 1 . 2 .]"
1 13 LEU 0.178 0.042 10 0 "[ . 1 . 2 .]"
1 14 LEU 2.132 0.096 10 0 "[ . 1 . 2 .]"
1 15 ASP 0.988 0.059 4 0 "[ . 1 . 2 .]"
1 16 GLU 1.022 0.059 4 0 "[ . 1 . 2 .]"
1 17 LEU 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 18 ARG 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 19 SER 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 20 ILE 0.532 0.053 9 0 "[ . 1 . 2 .]"
1 21 TYR 3.363 0.215 16 0 "[ . 1 . 2 .]"
1 22 ARG 3.516 0.215 16 0 "[ . 1 . 2 .]"
1 23 THR 4.704 0.201 20 0 "[ . 1 . 2 .]"
1 24 ILE 10.999 0.222 2 0 "[ . 1 . 2 .]"
1 25 VAL 3.478 0.222 2 0 "[ . 1 . 2 .]"
1 26 LEU 3.280 0.159 9 0 "[ . 1 . 2 .]"
1 27 GLU 3.146 0.159 14 0 "[ . 1 . 2 .]"
1 28 TYR 3.259 0.159 9 0 "[ . 1 . 2 .]"
1 29 PHE 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 30 ASN 0.858 0.090 24 0 "[ . 1 . 2 .]"
1 32 ASP 0.033 0.033 2 0 "[ . 1 . 2 .]"
1 33 ALA 0.123 0.090 24 0 "[ . 1 . 2 .]"
1 34 LYS 0.092 0.092 7 0 "[ . 1 . 2 .]"
1 35 VAL 0.309 0.092 7 0 "[ . 1 . 2 .]"
1 36 ASN 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 37 GLU 0.028 0.005 19 0 "[ . 1 . 2 .]"
1 38 ARG 0.028 0.005 19 0 "[ . 1 . 2 .]"
1 39 ILE 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 40 ASP 0.089 0.046 14 0 "[ . 1 . 2 .]"
1 41 GLU 3.029 0.175 18 0 "[ . 1 . 2 .]"
1 42 PHE 11.670 0.284 16 0 "[ . 1 . 2 .]"
1 43 VAL 3.225 0.111 20 0 "[ . 1 . 2 .]"
1 44 SER 6.894 0.284 16 0 "[ . 1 . 2 .]"
1 45 LYS 0.987 0.087 6 0 "[ . 1 . 2 .]"
1 46 ALA 1.401 0.087 6 0 "[ . 1 . 2 .]"
1 47 PHE 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 48 PHE 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 49 ALA 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 50 ASP 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 51 ILE 3.679 0.173 21 0 "[ . 1 . 2 .]"
1 52 SER 3.753 0.173 21 0 "[ . 1 . 2 .]"
1 53 VAL 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 54 SER 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 55 GLN 4.435 0.107 24 0 "[ . 1 . 2 .]"
1 56 VAL 0.057 0.033 8 0 "[ . 1 . 2 .]"
1 57 LEU 11.561 0.257 22 0 "[ . 1 . 2 .]"
1 58 GLU 16.658 0.278 15 0 "[ . 1 . 2 .]"
1 59 ILE 0.111 0.023 21 0 "[ . 1 . 2 .]"
1 60 HIS 10.737 0.278 15 0 "[ . 1 . 2 .]"
1 61 VAL 3.199 0.209 24 0 "[ . 1 . 2 .]"
1 62 GLU 0.434 0.051 21 0 "[ . 1 . 2 .]"
1 63 LEU 5.399 0.282 23 0 "[ . 1 . 2 .]"
1 64 MET 1.946 0.128 17 0 "[ . 1 . 2 .]"
1 65 ASP 8.315 0.282 23 0 "[ . 1 . 2 .]"
1 66 THR 4.871 0.145 8 0 "[ . 1 . 2 .]"
1 67 PHE 1.066 0.057 18 0 "[ . 1 . 2 .]"
1 69 LYS 2.324 0.142 7 0 "[ . 1 . 2 .]"
1 70 GLN 0.151 0.051 20 0 "[ . 1 . 2 .]"
1 71 LEU 0.588 0.069 22 0 "[ . 1 . 2 .]"
1 72 LYS 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 73 LEU 1.739 0.108 21 0 "[ . 1 . 2 .]"
1 74 GLU 0.151 0.051 20 0 "[ . 1 . 2 .]"
1 75 GLY 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 76 ARG 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 78 GLU 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 79 ASP 0.769 0.042 11 0 "[ . 1 . 2 .]"
1 80 ILE 4.331 0.108 23 0 "[ . 1 . 2 .]"
1 81 LEU 1.618 0.095 1 0 "[ . 1 . 2 .]"
1 82 LEU 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 83 ASP 4.125 0.177 4 0 "[ . 1 . 2 .]"
1 84 TYR 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 85 ARG 0.138 0.060 22 0 "[ . 1 . 2 .]"
1 86 LEU 1.234 0.082 15 0 "[ . 1 . 2 .]"
1 87 THR 1.769 0.095 3 0 "[ . 1 . 2 .]"
1 88 LEU 2.193 0.108 17 0 "[ . 1 . 2 .]"
1 89 ILE 0.307 0.082 8 0 "[ . 1 . 2 .]"
1 90 ASP 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 91 VAL 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 92 ILE 2.886 0.099 13 0 "[ . 1 . 2 .]"
1 93 ALA 0.074 0.074 8 0 "[ . 1 . 2 .]"
1 94 HIS 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 95 LEU 4.219 0.158 1 0 "[ . 1 . 2 .]"
1 96 CYS 6.018 0.215 8 0 "[ . 1 . 2 .]"
1 97 GLU 0.447 0.098 8 0 "[ . 1 . 2 .]"
1 98 MET 3.488 0.158 1 0 "[ . 1 . 2 .]"
1 99 TYR 3.631 0.215 8 0 "[ . 1 . 2 .]"
1 100 ARG 0.071 0.036 11 0 "[ . 1 . 2 .]"
1 101 ARG 0.090 0.037 9 0 "[ . 1 . 2 .]"
1 102 SER 1.935 0.167 13 0 "[ . 1 . 2 .]"
1 103 ILE 1.935 0.167 13 0 "[ . 1 . 2 .]"
1 104 PRO 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 105 ARG 0.314 0.135 22 0 "[ . 1 . 2 .]"
1 106 GLU 0.017 0.017 7 0 "[ . 1 . 2 .]"
1 107 VAL 0.331 0.135 22 0 "[ . 1 . 2 .]"
2 8 ALA 0.000 0.000 . 0 "[ . 1 . 2 .]"
2 10 LYS 0.000 0.000 . 0 "[ . 1 . 2 .]"
2 11 ARG 0.000 0.000 . 0 "[ . 1 . 2 .]"
2 12 LYS 0.014 0.014 19 0 "[ . 1 . 2 .]"
2 13 LEU 0.173 0.043 10 0 "[ . 1 . 2 .]"
2 14 LEU 2.127 0.097 10 0 "[ . 1 . 2 .]"
2 15 ASP 0.979 0.059 12 0 "[ . 1 . 2 .]"
2 16 GLU 1.013 0.059 12 0 "[ . 1 . 2 .]"
2 17 LEU 0.000 0.000 . 0 "[ . 1 . 2 .]"
2 18 ARG 0.000 0.000 . 0 "[ . 1 . 2 .]"
2 19 SER 0.000 0.000 . 0 "[ . 1 . 2 .]"
2 20 ILE 0.533 0.054 9 0 "[ . 1 . 2 .]"
2 21 TYR 3.364 0.214 16 0 "[ . 1 . 2 .]"
2 22 ARG 3.515 0.214 16 0 "[ . 1 . 2 .]"
2 23 THR 4.716 0.203 20 0 "[ . 1 . 2 .]"
2 24 ILE 11.017 0.220 2 0 "[ . 1 . 2 .]"
2 25 VAL 3.483 0.220 2 0 "[ . 1 . 2 .]"
2 26 LEU 3.295 0.157 9 0 "[ . 1 . 2 .]"
2 27 GLU 3.149 0.159 14 0 "[ . 1 . 2 .]"
2 28 TYR 3.273 0.157 9 0 "[ . 1 . 2 .]"
2 29 PHE 0.000 0.000 . 0 "[ . 1 . 2 .]"
2 30 ASN 0.857 0.088 24 0 "[ . 1 . 2 .]"
2 32 ASP 0.034 0.034 2 0 "[ . 1 . 2 .]"
2 33 ALA 0.122 0.088 24 0 "[ . 1 . 2 .]"
2 34 LYS 0.093 0.093 7 0 "[ . 1 . 2 .]"
2 35 VAL 0.307 0.093 7 0 "[ . 1 . 2 .]"
2 36 ASN 0.000 0.000 . 0 "[ . 1 . 2 .]"
2 37 GLU 0.033 0.008 19 0 "[ . 1 . 2 .]"
2 38 ARG 0.033 0.008 19 0 "[ . 1 . 2 .]"
2 39 ILE 0.000 0.000 . 0 "[ . 1 . 2 .]"
2 40 ASP 0.089 0.045 14 0 "[ . 1 . 2 .]"
2 41 GLU 3.034 0.176 18 0 "[ . 1 . 2 .]"
2 42 PHE 11.676 0.283 16 0 "[ . 1 . 2 .]"
2 43 VAL 3.221 0.108 20 0 "[ . 1 . 2 .]"
2 44 SER 6.896 0.283 16 0 "[ . 1 . 2 .]"
2 45 LYS 0.989 0.088 6 0 "[ . 1 . 2 .]"
2 46 ALA 1.396 0.088 6 0 "[ . 1 . 2 .]"
2 47 PHE 0.000 0.000 . 0 "[ . 1 . 2 .]"
2 48 PHE 0.000 0.000 . 0 "[ . 1 . 2 .]"
2 49 ALA 0.000 0.000 . 0 "[ . 1 . 2 .]"
2 50 ASP 0.000 0.000 . 0 "[ . 1 . 2 .]"
2 51 ILE 3.687 0.173 25 0 "[ . 1 . 2 .]"
2 52 SER 3.759 0.173 25 0 "[ . 1 . 2 .]"
2 53 VAL 0.000 0.000 . 0 "[ . 1 . 2 .]"
2 54 SER 0.000 0.000 . 0 "[ . 1 . 2 .]"
2 55 GLN 4.438 0.107 24 0 "[ . 1 . 2 .]"
2 56 VAL 0.059 0.034 8 0 "[ . 1 . 2 .]"
2 57 LEU 11.549 0.256 22 0 "[ . 1 . 2 .]"
2 58 GLU 16.657 0.277 15 0 "[ . 1 . 2 .]"
2 59 ILE 0.109 0.022 21 0 "[ . 1 . 2 .]"
2 60 HIS 10.733 0.277 15 0 "[ . 1 . 2 .]"
2 61 VAL 3.191 0.208 24 0 "[ . 1 . 2 .]"
2 62 GLU 0.437 0.050 21 0 "[ . 1 . 2 .]"
2 63 LEU 5.406 0.282 23 0 "[ . 1 . 2 .]"
2 64 MET 1.951 0.127 17 0 "[ . 1 . 2 .]"
2 65 ASP 8.316 0.282 23 0 "[ . 1 . 2 .]"
2 66 THR 4.864 0.144 8 0 "[ . 1 . 2 .]"
2 67 PHE 1.066 0.058 18 0 "[ . 1 . 2 .]"
2 69 LYS 2.327 0.142 7 0 "[ . 1 . 2 .]"
2 70 GLN 0.151 0.052 20 0 "[ . 1 . 2 .]"
2 71 LEU 0.596 0.069 22 0 "[ . 1 . 2 .]"
2 72 LYS 0.000 0.000 . 0 "[ . 1 . 2 .]"
2 73 LEU 1.740 0.108 21 0 "[ . 1 . 2 .]"
2 74 GLU 0.151 0.052 20 0 "[ . 1 . 2 .]"
2 75 GLY 0.000 0.000 . 0 "[ . 1 . 2 .]"
2 76 ARG 0.000 0.000 . 0 "[ . 1 . 2 .]"
2 78 GLU 0.000 0.000 . 0 "[ . 1 . 2 .]"
2 79 ASP 0.766 0.041 11 0 "[ . 1 . 2 .]"
2 80 ILE 4.313 0.107 23 0 "[ . 1 . 2 .]"
2 81 LEU 1.625 0.094 1 0 "[ . 1 . 2 .]"
2 82 LEU 0.000 0.000 . 0 "[ . 1 . 2 .]"
2 83 ASP 4.117 0.178 4 0 "[ . 1 . 2 .]"
2 84 TYR 0.000 0.000 . 0 "[ . 1 . 2 .]"
2 85 ARG 0.138 0.060 22 0 "[ . 1 . 2 .]"
2 86 LEU 1.243 0.082 15 0 "[ . 1 . 2 .]"
2 87 THR 1.756 0.095 3 0 "[ . 1 . 2 .]"
2 88 LEU 2.195 0.108 17 0 "[ . 1 . 2 .]"
2 89 ILE 0.323 0.082 8 0 "[ . 1 . 2 .]"
2 90 ASP 0.000 0.000 . 0 "[ . 1 . 2 .]"
2 91 VAL 0.000 0.000 . 0 "[ . 1 . 2 .]"
2 92 ILE 2.883 0.098 13 0 "[ . 1 . 2 .]"
2 93 ALA 0.073 0.073 8 0 "[ . 1 . 2 .]"
2 94 HIS 0.000 0.000 . 0 "[ . 1 . 2 .]"
2 95 LEU 3.857 0.160 1 0 "[ . 1 . 2 .]"
2 96 CYS 5.120 0.229 13 0 "[ . 1 . 2 .]"
2 97 GLU 0.446 0.099 8 0 "[ . 1 . 2 .]"
2 98 MET 3.486 0.160 1 0 "[ . 1 . 2 .]"
2 99 TYR 4.534 0.229 13 0 "[ . 1 . 2 .]"
2 100 ARG 0.074 0.038 11 0 "[ . 1 . 2 .]"
2 101 ARG 0.092 0.038 9 0 "[ . 1 . 2 .]"
2 102 SER 1.933 0.167 13 0 "[ . 1 . 2 .]"
2 103 ILE 1.933 0.167 13 0 "[ . 1 . 2 .]"
2 104 PRO 0.000 0.000 . 0 "[ . 1 . 2 .]"
2 105 ARG 0.311 0.135 22 0 "[ . 1 . 2 .]"
2 106 GLU 0.017 0.017 7 0 "[ . 1 . 2 .]"
2 107 VAL 0.328 0.135 22 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 8 ALA HA 1 11 ARG H 4.000 . 6.000 3.097 2.917 3.258 . 0 0 "[ . 1 . 2 .]" 7
2 1 10 LYS QG 1 11 ARG H 4.000 . 6.500 4.396 4.324 4.487 . 0 0 "[ . 1 . 2 .]" 7
3 1 10 LYS HA 1 13 LEU H 4.000 . 5.000 3.281 3.192 3.391 . 0 0 "[ . 1 . 2 .]" 7
4 1 11 ARG H 1 11 ARG QG 4.000 . 5.500 2.888 2.024 4.061 . 0 0 "[ . 1 . 2 .]" 7
5 1 11 ARG H 1 11 ARG QB 2.500 . 3.400 2.280 2.062 2.505 . 0 0 "[ . 1 . 2 .]" 7
6 1 11 ARG H 1 11 ARG QD 4.000 . 6.500 3.596 2.565 4.395 . 0 0 "[ . 1 . 2 .]" 7
7 1 12 LYS H 1 12 LYS QB 3.000 . 4.000 2.340 2.118 2.507 . 0 0 "[ . 1 . 2 .]" 7
8 1 12 LYS QB 1 13 LEU H 3.000 . 4.000 2.617 2.540 2.716 . 0 0 "[ . 1 . 2 .]" 7
9 1 12 LYS HG2 1 13 LEU H 4.000 . 5.000 4.777 4.118 5.016 0.016 19 0 "[ . 1 . 2 .]" 7
10 1 12 LYS H 1 13 LEU QD 4.000 . 5.500 4.840 4.743 5.006 . 0 0 "[ . 1 . 2 .]" 7
11 1 12 LYS HA 1 14 LEU H 4.000 . 6.000 4.170 3.999 4.365 . 0 0 "[ . 1 . 2 .]" 7
12 1 13 LEU H 1 13 LEU HG 2.500 . 2.900 2.880 2.751 2.942 0.042 10 0 "[ . 1 . 2 .]" 7
13 1 13 LEU H 1 13 LEU QD 4.000 . 5.500 3.307 3.241 3.376 . 0 0 "[ . 1 . 2 .]" 7
14 1 13 LEU H 1 13 LEU HB2 3.000 . 3.500 2.127 2.107 2.161 . 0 0 "[ . 1 . 2 .]" 7
15 1 13 LEU H 1 14 LEU H 3.000 . 3.500 2.606 2.574 2.651 . 0 0 "[ . 1 . 2 .]" 7
16 1 13 LEU HA 1 14 LEU H 4.000 . 5.000 3.537 3.519 3.554 . 0 0 "[ . 1 . 2 .]" 7
17 1 13 LEU QD 1 49 ALA H 4.000 . 6.500 4.438 4.182 4.719 . 0 0 "[ . 1 . 2 .]" 7
18 1 14 LEU H 1 14 LEU MD2 3.000 . 4.000 2.416 2.345 2.592 . 0 0 "[ . 1 . 2 .]" 7
19 1 14 LEU H 1 14 LEU HG 2.500 . 2.900 2.430 2.361 2.634 . 0 0 "[ . 1 . 2 .]" 7
20 1 14 LEU H 1 14 LEU HB3 3.000 . 3.500 3.585 3.576 3.596 0.096 10 0 "[ . 1 . 2 .]" 7
21 1 14 LEU H 1 15 ASP HB2 4.000 . 6.000 4.598 4.517 4.670 . 0 0 "[ . 1 . 2 .]" 7
22 1 14 LEU H 1 15 ASP H 3.000 . 3.500 2.502 2.445 2.563 . 0 0 "[ . 1 . 2 .]" 7
23 1 14 LEU HA 1 16 GLU H 4.000 . 5.000 4.195 4.114 4.282 . 0 0 "[ . 1 . 2 .]" 7
24 1 14 LEU H 1 16 GLU H 4.000 . 5.000 4.101 3.811 4.220 . 0 0 "[ . 1 . 2 .]" 7
25 1 14 LEU HA 1 17 LEU H 4.000 . 5.000 3.033 2.912 3.141 . 0 0 "[ . 1 . 2 .]" 7
26 1 14 LEU MD1 1 55 GLN HE22 4.000 . 5.500 3.911 2.650 4.933 . 0 0 "[ . 1 . 2 .]" 7
27 1 14 LEU MD1 1 55 GLN HE21 4.000 . 5.500 3.773 1.887 5.364 . 0 0 "[ . 1 . 2 .]" 7
28 1 15 ASP H 1 15 ASP HB2 2.500 . 2.900 2.437 2.404 2.478 . 0 0 "[ . 1 . 2 .]" 7
29 1 15 ASP HB3 1 16 GLU H 3.000 . 3.500 3.540 3.508 3.559 0.059 4 0 "[ . 1 . 2 .]" 7
30 1 15 ASP HB2 1 16 GLU H 3.000 . 3.500 2.577 2.519 2.639 . 0 0 "[ . 1 . 2 .]" 7
31 1 15 ASP HA 1 17 LEU H 4.000 . 6.000 4.330 4.270 4.439 . 0 0 "[ . 1 . 2 .]" 7
32 1 16 GLU H 1 16 GLU QB 2.500 . 3.400 2.363 2.225 2.420 . 0 0 "[ . 1 . 2 .]" 7
33 1 16 GLU H 1 16 GLU QG 3.000 . 4.000 2.406 2.180 4.020 0.020 10 0 "[ . 1 . 2 .]" 7
34 1 16 GLU H 1 17 LEU HG 4.000 . 5.000 4.393 4.307 4.545 . 0 0 "[ . 1 . 2 .]" 7
35 1 16 GLU H 1 17 LEU H 3.000 . 3.500 2.566 2.526 2.605 . 0 0 "[ . 1 . 2 .]" 7
36 1 16 GLU QB 1 17 LEU H 3.000 . 4.000 2.595 2.509 2.680 . 0 0 "[ . 1 . 2 .]" 7
37 1 16 GLU H 1 18 ARG H 4.000 . 5.000 3.969 3.810 4.172 . 0 0 "[ . 1 . 2 .]" 7
38 1 16 GLU H 1 20 ILE MD 4.000 . 5.500 5.132 4.903 5.514 0.014 10 0 "[ . 1 . 2 .]" 7
39 1 17 LEU H 1 17 LEU HB2 3.000 . 3.500 2.426 2.364 2.467 . 0 0 "[ . 1 . 2 .]" 7
40 1 17 LEU H 1 17 LEU HB3 4.000 . 5.000 3.587 3.575 3.599 . 0 0 "[ . 1 . 2 .]" 7
41 1 17 LEU H 1 17 LEU HG 3.000 . 3.500 2.267 2.165 2.400 . 0 0 "[ . 1 . 2 .]" 7
42 1 17 LEU H 1 17 LEU MD1 4.000 . 5.500 3.384 3.291 3.458 . 0 0 "[ . 1 . 2 .]" 7
43 1 17 LEU H 1 18 ARG H 3.000 . 3.500 2.612 2.515 2.718 . 0 0 "[ . 1 . 2 .]" 7
44 1 17 LEU HB3 1 18 ARG H 4.000 . 5.000 3.649 3.549 3.714 . 0 0 "[ . 1 . 2 .]" 7
45 1 17 LEU MD1 1 18 ARG H 4.000 . 5.500 4.461 4.332 4.616 . 0 0 "[ . 1 . 2 .]" 7
46 1 17 LEU H 1 20 ILE MD 4.000 . 5.500 3.860 3.517 4.237 . 0 0 "[ . 1 . 2 .]" 7
47 1 17 LEU MD1 1 46 ALA H 4.000 . 5.500 4.091 3.831 4.364 . 0 0 "[ . 1 . 2 .]" 7
48 1 18 ARG H 1 18 ARG QB 2.500 . 3.400 2.182 2.012 2.475 . 0 0 "[ . 1 . 2 .]" 7
49 1 18 ARG H 1 18 ARG QD 4.000 . 5.500 4.229 3.711 4.536 . 0 0 "[ . 1 . 2 .]" 7
50 1 18 ARG H 1 18 ARG QG 3.000 . 4.000 3.500 1.963 3.947 . 0 0 "[ . 1 . 2 .]" 7
51 1 18 ARG H 1 19 SER H 3.000 . 3.500 2.689 2.608 2.743 . 0 0 "[ . 1 . 2 .]" 7
52 1 18 ARG QB 1 19 SER H 3.000 . 4.000 2.641 2.381 3.221 . 0 0 "[ . 1 . 2 .]" 7
53 1 18 ARG QG 1 19 SER H 4.000 . 6.500 3.245 1.910 4.221 . 0 0 "[ . 1 . 2 .]" 7
54 1 18 ARG HA 1 22 ARG H 4.000 . 5.000 3.835 3.499 4.107 . 0 0 "[ . 1 . 2 .]" 7
55 1 19 SER H 1 19 SER QB 2.500 . 3.400 2.339 2.123 2.576 . 0 0 "[ . 1 . 2 .]" 7
56 1 19 SER HA 1 20 ILE H 4.000 . 5.000 3.566 3.553 3.578 . 0 0 "[ . 1 . 2 .]" 7
57 1 19 SER H 1 20 ILE H 3.000 . 3.500 2.569 2.465 2.670 . 0 0 "[ . 1 . 2 .]" 7
58 1 19 SER QB 1 20 ILE H 3.000 . 4.000 2.515 2.382 3.308 . 0 0 "[ . 1 . 2 .]" 7
59 1 19 SER HA 1 21 TYR H 4.000 . 6.000 4.706 4.535 4.866 . 0 0 "[ . 1 . 2 .]" 7
60 1 19 SER HA 1 22 ARG H 4.000 . 5.000 3.560 3.347 3.756 . 0 0 "[ . 1 . 2 .]" 7
61 1 20 ILE H 1 20 ILE MD 3.000 . 4.000 3.423 3.103 3.556 . 0 0 "[ . 1 . 2 .]" 7
62 1 20 ILE H 1 20 ILE HG12 3.000 . 3.500 3.502 3.460 3.541 0.041 11 0 "[ . 1 . 2 .]" 7
63 1 20 ILE H 1 21 TYR H 3.000 . 3.500 2.722 2.675 2.778 . 0 0 "[ . 1 . 2 .]" 7
64 1 20 ILE MG 1 21 TYR H 4.000 . 5.500 3.235 3.146 3.384 . 0 0 "[ . 1 . 2 .]" 7
65 1 20 ILE HB 1 21 TYR H 3.000 . 3.500 2.387 2.280 2.459 . 0 0 "[ . 1 . 2 .]" 7
66 1 20 ILE HA 1 21 TYR H 4.000 . 5.000 3.563 3.545 3.576 . 0 0 "[ . 1 . 2 .]" 7
67 1 20 ILE H 1 22 ARG H 4.000 . 6.000 4.038 3.973 4.122 . 0 0 "[ . 1 . 2 .]" 7
68 1 20 ILE H 1 42 PHE QD 4.000 . 5.000 4.908 4.630 5.053 0.053 9 0 "[ . 1 . 2 .]" 7
69 1 20 ILE MD 1 42 PHE H 4.000 . 6.500 4.045 3.712 4.342 . 0 0 "[ . 1 . 2 .]" 7
70 1 20 ILE MG 1 42 PHE H 3.000 . 4.000 3.065 2.643 3.302 . 0 0 "[ . 1 . 2 .]" 7
71 1 21 TYR H 1 21 TYR QD 4.000 . 5.000 4.164 4.127 4.187 . 0 0 "[ . 1 . 2 .]" 7
72 1 21 TYR H 1 21 TYR HB2 3.000 . 3.500 2.405 2.213 2.554 . 0 0 "[ . 1 . 2 .]" 7
73 1 21 TYR H 1 21 TYR HB3 3.000 . 3.500 2.596 2.443 2.817 . 0 0 "[ . 1 . 2 .]" 7
74 1 21 TYR H 1 22 ARG H 3.000 . 3.500 2.691 2.630 2.777 . 0 0 "[ . 1 . 2 .]" 7
75 1 21 TYR HD1 1 22 ARG H 4.000 . 5.000 4.446 3.864 5.084 0.084 10 0 "[ . 1 . 2 .]" 7
76 1 21 TYR HB2 1 22 ARG H 3.000 . 3.500 3.621 3.451 3.715 0.215 16 0 "[ . 1 . 2 .]" 7
77 1 21 TYR HB3 1 22 ARG H 3.000 . 3.500 2.330 2.277 2.393 . 0 0 "[ . 1 . 2 .]" 7
78 1 21 TYR HA 1 24 ILE H 3.000 . 3.500 3.297 3.216 3.409 . 0 0 "[ . 1 . 2 .]" 7
79 1 21 TYR H 1 42 PHE QD 4.000 . 5.000 3.181 2.857 3.346 . 0 0 "[ . 1 . 2 .]" 7
80 1 21 TYR H 1 42 PHE QE 4.000 . 5.000 3.728 3.300 4.086 . 0 0 "[ . 1 . 2 .]" 7
81 1 21 TYR QE 1 60 HIS H 4.000 . 6.000 3.999 3.484 4.675 . 0 0 "[ . 1 . 2 .]" 7
82 1 21 TYR H 1 63 LEU MD2 4.000 . 5.500 5.276 4.979 5.534 0.034 1 0 "[ . 1 . 2 .]" 7
83 1 22 ARG H 1 22 ARG HB2 2.500 . 2.900 2.688 2.553 2.750 . 0 0 "[ . 1 . 2 .]" 7
84 1 22 ARG H 1 22 ARG HG2 4.000 . 5.000 4.370 4.290 4.488 . 0 0 "[ . 1 . 2 .]" 7
85 1 22 ARG H 1 22 ARG HB3 2.500 . 2.900 2.323 2.259 2.429 . 0 0 "[ . 1 . 2 .]" 7
86 1 22 ARG H 1 23 THR H 3.000 . 3.500 2.764 2.710 2.812 . 0 0 "[ . 1 . 2 .]" 7
87 1 22 ARG QD 1 23 THR H 4.000 . 5.500 4.962 4.880 5.022 . 0 0 "[ . 1 . 2 .]" 7
88 1 22 ARG HB3 1 23 THR H 3.000 . 3.500 2.746 2.666 2.808 . 0 0 "[ . 1 . 2 .]" 7
89 1 22 ARG HB2 1 23 THR H 4.000 . 5.000 4.037 3.978 4.079 . 0 0 "[ . 1 . 2 .]" 7
90 1 22 ARG HA 1 23 THR H 3.000 . 3.500 3.510 3.495 3.524 0.024 16 0 "[ . 1 . 2 .]" 7
91 1 22 ARG HB3 1 24 ILE H 4.000 . 5.000 4.965 4.908 5.012 0.012 8 0 "[ . 1 . 2 .]" 7
92 1 22 ARG HA 1 26 LEU H 4.000 . 5.000 4.229 4.027 4.417 . 0 0 "[ . 1 . 2 .]" 7
93 1 23 THR H 1 23 THR MG 3.000 . 4.000 3.735 3.570 3.766 . 0 0 "[ . 1 . 2 .]" 7
94 1 23 THR H 1 23 THR HB 2.500 . 2.900 2.506 2.158 2.654 . 0 0 "[ . 1 . 2 .]" 7
95 1 23 THR H 1 24 ILE H 3.000 . 3.500 2.506 2.463 2.584 . 0 0 "[ . 1 . 2 .]" 7
96 1 23 THR MG 1 24 ILE H 3.000 . 4.000 3.597 3.068 3.833 . 0 0 "[ . 1 . 2 .]" 7
97 1 23 THR HA 1 24 ILE H 4.000 . 5.000 3.496 3.477 3.512 . 0 0 "[ . 1 . 2 .]" 7
98 1 23 THR HB 1 24 ILE H 3.000 . 3.500 2.725 2.647 3.020 . 0 0 "[ . 1 . 2 .]" 7
99 1 23 THR H 1 24 ILE HG13 4.000 . 5.000 5.177 5.147 5.201 0.201 20 0 "[ . 1 . 2 .]" 7
100 1 23 THR H 1 24 ILE HG12 4.000 . 5.000 3.530 3.476 3.694 . 0 0 "[ . 1 . 2 .]" 7
101 1 23 THR HA 1 26 LEU H 3.000 . 3.500 3.424 3.296 3.521 0.021 20 0 "[ . 1 . 2 .]" 7
102 1 23 THR MG 1 26 LEU H 4.000 . 6.500 4.498 4.348 4.633 . 0 0 "[ . 1 . 2 .]" 7
103 1 23 THR MG 1 27 GLU H 4.000 . 5.500 3.554 3.158 3.777 . 0 0 "[ . 1 . 2 .]" 7
104 1 23 THR HA 1 27 GLU H 4.000 . 5.000 3.810 3.548 4.036 . 0 0 "[ . 1 . 2 .]" 7
105 1 24 ILE H 1 24 ILE HG13 3.000 . 3.500 3.274 3.181 3.310 . 0 0 "[ . 1 . 2 .]" 7
106 1 24 ILE H 1 24 ILE HB 3.000 . 3.500 2.717 2.670 2.801 . 0 0 "[ . 1 . 2 .]" 7
107 1 24 ILE H 1 24 ILE HG12 3.000 . 3.500 1.678 1.654 1.697 0.146 6 0 "[ . 1 . 2 .]" 7
108 1 24 ILE H 1 24 ILE MG 3.000 . 4.000 3.716 3.700 3.732 . 0 0 "[ . 1 . 2 .]" 7
109 1 24 ILE H 1 25 VAL H 3.000 . 3.500 2.790 2.717 2.884 . 0 0 "[ . 1 . 2 .]" 7
110 1 24 ILE HG12 1 25 VAL H 3.000 . 3.500 3.639 3.591 3.722 0.222 2 0 "[ . 1 . 2 .]" 7
111 1 24 ILE HB 1 25 VAL H 3.000 . 3.500 2.075 2.030 2.160 . 0 0 "[ . 1 . 2 .]" 7
112 1 24 ILE MG 1 28 TYR H 4.000 . 6.500 4.041 3.704 4.302 . 0 0 "[ . 1 . 2 .]" 7
113 1 25 VAL H 1 25 VAL MG2 2.500 . 3.400 2.092 1.855 2.263 . 0 0 "[ . 1 . 2 .]" 7
114 1 25 VAL H 1 25 VAL HB 2.500 . 2.900 2.512 2.433 2.600 . 0 0 "[ . 1 . 2 .]" 7
115 1 25 VAL H 1 25 VAL MG1 3.000 . 4.000 3.745 3.728 3.758 . 0 0 "[ . 1 . 2 .]" 7
116 1 25 VAL HA 1 26 LEU H 4.000 . 5.000 3.478 3.462 3.498 . 0 0 "[ . 1 . 2 .]" 7
117 1 25 VAL MG1 1 26 LEU H 3.000 . 4.000 3.533 3.388 3.686 . 0 0 "[ . 1 . 2 .]" 7
118 1 25 VAL MG2 1 26 LEU H 3.000 . 4.000 3.838 3.749 3.917 . 0 0 "[ . 1 . 2 .]" 7
119 1 25 VAL H 1 63 LEU MD2 4.000 . 5.500 4.184 3.890 4.440 . 0 0 "[ . 1 . 2 .]" 7
120 1 26 LEU HA 1 27 GLU H 4.000 . 5.000 3.553 3.536 3.574 . 0 0 "[ . 1 . 2 .]" 7
121 1 26 LEU H 1 28 TYR H 3.000 . 3.500 3.630 3.603 3.659 0.159 9 0 "[ . 1 . 2 .]" 7
122 1 26 LEU H 1 67 PHE HZ 4.000 . 6.000 4.665 3.524 5.505 . 0 0 "[ . 1 . 2 .]" 7
123 1 27 GLU H 1 27 GLU HB2 2.500 . 2.900 2.414 2.281 2.459 . 0 0 "[ . 1 . 2 .]" 7
124 1 27 GLU H 1 27 GLU HG3 3.000 . 3.500 2.709 2.473 3.659 0.159 14 0 "[ . 1 . 2 .]" 7
125 1 27 GLU H 1 27 GLU HB3 3.000 . 3.500 3.617 3.550 3.639 0.139 24 0 "[ . 1 . 2 .]" 7
126 1 27 GLU HB2 1 28 TYR H 4.000 . 5.000 3.588 3.497 3.745 . 0 0 "[ . 1 . 2 .]" 7
127 1 27 GLU HA 1 28 TYR H 4.000 . 5.000 3.314 3.271 3.369 . 0 0 "[ . 1 . 2 .]" 7
128 1 27 GLU H 1 28 TYR HB2 4.000 . 5.000 4.396 4.253 4.684 . 0 0 "[ . 1 . 2 .]" 7
129 1 27 GLU H 1 35 VAL MG1 4.000 . 6.500 4.135 3.956 4.262 . 0 0 "[ . 1 . 2 .]" 7
130 1 28 TYR H 1 28 TYR QD 4.000 . 5.000 4.123 4.000 4.211 . 0 0 "[ . 1 . 2 .]" 7
131 1 28 TYR H 1 28 TYR HB3 3.000 . 3.500 2.726 2.582 2.862 . 0 0 "[ . 1 . 2 .]" 7
132 1 28 TYR H 1 28 TYR HB2 2.500 . 2.900 2.452 2.326 2.581 . 0 0 "[ . 1 . 2 .]" 7
133 1 28 TYR H 1 29 PHE H 4.000 . 5.000 2.809 2.709 2.900 . 0 0 "[ . 1 . 2 .]" 7
134 1 28 TYR QD 1 29 PHE H 4.000 . 5.000 4.012 3.919 4.147 . 0 0 "[ . 1 . 2 .]" 7
135 1 28 TYR HB3 1 29 PHE H 3.000 . 3.500 2.567 2.468 2.675 . 0 0 "[ . 1 . 2 .]" 7
136 1 28 TYR HA 1 30 ASN H 4.000 . 5.000 3.745 3.608 3.899 . 0 0 "[ . 1 . 2 .]" 7
137 1 28 TYR H 1 35 VAL MG2 4.000 . 6.500 4.084 3.864 4.317 . 0 0 "[ . 1 . 2 .]" 7
138 1 28 TYR H 1 35 VAL MG1 4.000 . 5.500 3.815 3.532 4.067 . 0 0 "[ . 1 . 2 .]" 7
139 1 29 PHE H 1 29 PHE HB2 3.000 . 3.500 2.344 2.276 2.397 . 0 0 "[ . 1 . 2 .]" 7
140 1 29 PHE H 1 29 PHE QD 3.000 . 3.500 2.795 2.430 3.169 . 0 0 "[ . 1 . 2 .]" 7
141 1 29 PHE H 1 30 ASN H 3.000 . 3.500 2.627 2.499 2.908 . 0 0 "[ . 1 . 2 .]" 7
142 1 29 PHE HB3 1 30 ASN H 4.000 . 5.000 4.346 4.246 4.412 . 0 0 "[ . 1 . 2 .]" 7
143 1 29 PHE HA 1 30 ASN H 3.000 . 3.500 3.038 2.828 3.137 . 0 0 "[ . 1 . 2 .]" 7
144 1 30 ASN HB3 1 30 ASN HD22 4.000 . 5.000 3.734 3.500 4.108 . 0 0 "[ . 1 . 2 .]" 7
145 1 30 ASN HB2 1 30 ASN HD22 4.000 . 5.000 3.971 3.539 4.122 . 0 0 "[ . 1 . 2 .]" 7
146 1 30 ASN H 1 30 ASN HB2 3.000 . 3.500 3.531 3.506 3.569 0.069 3 0 "[ . 1 . 2 .]" 7
147 1 30 ASN H 1 30 ASN HB3 3.000 . 3.500 2.271 2.213 2.365 . 0 0 "[ . 1 . 2 .]" 7
148 1 30 ASN HD21 1 33 ALA MB 4.000 . 6.500 3.207 1.710 4.427 0.090 24 0 "[ . 1 . 2 .]" 7
149 1 30 ASN HD22 1 33 ALA MB 4.000 . 6.500 3.252 2.354 4.177 . 0 0 "[ . 1 . 2 .]" 7
150 1 32 ASP H 1 32 ASP HB2 4.000 . 6.000 2.750 2.505 2.995 . 0 0 "[ . 1 . 2 .]" 7
151 1 33 ALA H 1 33 ALA MB 3.000 . 4.000 2.221 2.047 2.743 . 0 0 "[ . 1 . 2 .]" 7
152 1 32 ASP HB2 1 33 ALA H 4.000 . 6.000 3.562 1.767 4.552 0.033 2 0 "[ . 1 . 2 .]" 7
153 1 32 ASP HB3 1 33 ALA H 4.000 . 6.000 4.102 2.342 4.447 . 0 0 "[ . 1 . 2 .]" 7
154 1 34 LYS HG3 1 35 VAL H 4.000 . 5.000 4.632 3.800 5.092 0.092 7 0 "[ . 1 . 2 .]" 7
155 1 35 VAL H 1 35 VAL HB 3.000 . 3.500 2.796 2.715 2.925 . 0 0 "[ . 1 . 2 .]" 7
156 1 35 VAL H 1 35 VAL MG1 4.000 . 5.500 3.698 3.652 3.749 . 0 0 "[ . 1 . 2 .]" 7
157 1 35 VAL H 1 35 VAL MG2 3.000 . 4.000 1.821 1.746 1.950 0.054 9 0 "[ . 1 . 2 .]" 7
158 1 35 VAL MG1 1 38 ARG H 4.000 . 6.500 4.239 4.065 4.439 . 0 0 "[ . 1 . 2 .]" 7
159 1 35 VAL HA 1 38 ARG H 3.000 . 3.500 3.225 3.111 3.324 . 0 0 "[ . 1 . 2 .]" 7
160 1 35 VAL HA 1 39 ILE H 4.000 . 5.000 3.681 3.589 3.813 . 0 0 "[ . 1 . 2 .]" 7
161 1 36 ASN HA 1 39 ILE H 4.000 . 5.000 3.350 3.254 3.449 . 0 0 "[ . 1 . 2 .]" 7
162 1 37 GLU H 1 37 GLU QG 4.000 . 5.500 2.381 2.092 3.416 . 0 0 "[ . 1 . 2 .]" 7
163 1 37 GLU QG 1 38 ARG H 4.000 . 5.500 4.074 3.904 4.534 . 0 0 "[ . 1 . 2 .]" 7
164 1 37 GLU HA 1 38 ARG H 3.000 . 3.500 3.497 3.477 3.505 0.005 19 0 "[ . 1 . 2 .]" 7
165 1 37 GLU H 1 38 ARG H 3.000 . 3.500 2.496 2.476 2.520 . 0 0 "[ . 1 . 2 .]" 7
166 1 38 ARG H 1 38 ARG HD2 4.000 . 6.000 4.972 4.759 5.123 . 0 0 "[ . 1 . 2 .]" 7
167 1 38 ARG H 1 38 ARG HD3 4.000 . 6.000 4.454 4.123 4.996 . 0 0 "[ . 1 . 2 .]" 7
168 1 38 ARG H 1 38 ARG HB2 2.500 . 2.900 2.202 2.088 2.330 . 0 0 "[ . 1 . 2 .]" 7
169 1 38 ARG HA 1 39 ILE H 4.000 . 5.000 3.552 3.531 3.574 . 0 0 "[ . 1 . 2 .]" 7
170 1 38 ARG HB2 1 39 ILE H 3.000 . 3.500 2.529 2.437 2.679 . 0 0 "[ . 1 . 2 .]" 7
171 1 38 ARG H 1 39 ILE H 3.000 . 3.500 2.599 2.568 2.649 . 0 0 "[ . 1 . 2 .]" 7
172 1 38 ARG H 1 39 ILE HA 4.000 . 6.000 5.235 5.207 5.273 . 0 0 "[ . 1 . 2 .]" 7
173 1 38 ARG H 1 40 ASP H 4.000 . 5.000 3.805 3.697 3.966 . 0 0 "[ . 1 . 2 .]" 7
174 1 38 ARG H 1 41 GLU H 4.000 . 5.000 4.822 4.690 4.912 . 0 0 "[ . 1 . 2 .]" 7
175 1 38 ARG HA 1 42 PHE H 4.000 . 5.000 4.509 4.325 4.640 . 0 0 "[ . 1 . 2 .]" 7
176 1 39 ILE H 1 39 ILE HB 2.500 . 2.900 2.419 2.354 2.467 . 0 0 "[ . 1 . 2 .]" 7
177 1 39 ILE H 1 40 ASP H 3.000 . 3.500 2.565 2.539 2.603 . 0 0 "[ . 1 . 2 .]" 7
178 1 39 ILE H 1 40 ASP HB3 4.000 . 6.000 4.871 4.771 4.930 . 0 0 "[ . 1 . 2 .]" 7
179 1 39 ILE MG 1 40 ASP H 3.000 . 4.000 3.475 3.295 3.584 . 0 0 "[ . 1 . 2 .]" 7
180 1 39 ILE HA 1 40 ASP H 4.000 . 5.000 3.511 3.486 3.531 . 0 0 "[ . 1 . 2 .]" 7
181 1 39 ILE HB 1 40 ASP H 2.500 . 2.900 2.728 2.641 2.830 . 0 0 "[ . 1 . 2 .]" 7
182 1 39 ILE H 1 41 GLU H 4.000 . 5.000 4.325 4.161 4.458 . 0 0 "[ . 1 . 2 .]" 7
183 1 40 ASP H 1 40 ASP HB3 2.500 . 2.900 2.610 2.554 2.675 . 0 0 "[ . 1 . 2 .]" 7
184 1 40 ASP HB3 1 41 GLU H 3.000 . 3.500 2.453 2.346 2.543 . 0 0 "[ . 1 . 2 .]" 7
185 1 40 ASP H 1 41 GLU H 2.500 . 2.900 2.776 2.708 2.830 . 0 0 "[ . 1 . 2 .]" 7
186 1 40 ASP H 1 41 GLU HB2 4.000 . 5.000 4.939 4.768 5.046 0.046 14 0 "[ . 1 . 2 .]" 7
187 1 40 ASP H 1 42 PHE H 4.000 . 5.000 4.070 3.968 4.169 . 0 0 "[ . 1 . 2 .]" 7
188 1 40 ASP HA 1 43 VAL H 4.000 . 5.000 3.440 3.335 3.548 . 0 0 "[ . 1 . 2 .]" 7
189 1 40 ASP HA 1 44 SER H 4.000 . 5.000 3.693 3.274 4.061 . 0 0 "[ . 1 . 2 .]" 7
190 1 41 GLU H 1 41 GLU HB2 2.500 . 2.900 2.313 2.229 2.394 . 0 0 "[ . 1 . 2 .]" 7
191 1 41 GLU H 1 42 PHE H 2.500 . 2.900 2.617 2.540 2.705 . 0 0 "[ . 1 . 2 .]" 7
192 1 41 GLU H 1 42 PHE HB3 4.000 . 5.000 4.874 4.775 5.002 0.002 13 0 "[ . 1 . 2 .]" 7
193 1 41 GLU HB2 1 42 PHE H 3.000 . 3.500 3.616 3.582 3.675 0.175 18 0 "[ . 1 . 2 .]" 7
194 1 41 GLU HA 1 42 PHE H 3.000 . 3.500 3.493 3.480 3.510 0.010 9 0 "[ . 1 . 2 .]" 7
195 1 41 GLU HB2 1 45 LYS H 4.000 . 6.000 5.804 5.618 6.034 0.034 23 0 "[ . 1 . 2 .]" 7
196 1 42 PHE H 1 42 PHE HB2 3.000 . 3.500 2.483 2.419 2.605 . 0 0 "[ . 1 . 2 .]" 7
197 1 42 PHE H 1 42 PHE HB3 3.000 . 3.500 2.576 2.508 2.634 . 0 0 "[ . 1 . 2 .]" 7
198 1 42 PHE H 1 42 PHE QD 4.000 . 5.000 4.172 4.148 4.189 . 0 0 "[ . 1 . 2 .]" 7
199 1 42 PHE H 1 43 VAL H 3.000 . 3.500 2.535 2.416 2.608 . 0 0 "[ . 1 . 2 .]" 7
200 1 42 PHE HB2 1 43 VAL H 3.000 . 3.500 3.586 3.554 3.611 0.111 20 0 "[ . 1 . 2 .]" 7
201 1 42 PHE HA 1 43 VAL H 4.000 . 5.000 3.507 3.495 3.522 . 0 0 "[ . 1 . 2 .]" 7
202 1 42 PHE QD 1 43 VAL H 4.000 . 5.000 3.265 3.114 3.536 . 0 0 "[ . 1 . 2 .]" 7
203 1 42 PHE H 1 44 SER H 3.000 . 3.500 3.754 3.703 3.784 0.284 16 0 "[ . 1 . 2 .]" 7
204 1 42 PHE HA 1 45 LYS H 4.000 . 5.000 3.682 3.515 3.886 . 0 0 "[ . 1 . 2 .]" 7
205 1 42 PHE H 1 45 LYS HB2 4.000 . 6.000 5.214 5.038 5.398 . 0 0 "[ . 1 . 2 .]" 7
206 1 43 VAL H 1 43 VAL MG1 3.000 . 4.000 3.690 3.666 3.711 . 0 0 "[ . 1 . 2 .]" 7
207 1 43 VAL H 1 43 VAL MG2 2.500 . 3.400 2.358 2.257 2.495 . 0 0 "[ . 1 . 2 .]" 7
208 1 43 VAL H 1 43 VAL HB 3.000 . 3.500 2.315 2.258 2.377 . 0 0 "[ . 1 . 2 .]" 7
209 1 43 VAL H 1 44 SER H 3.000 . 3.500 2.630 2.554 2.693 . 0 0 "[ . 1 . 2 .]" 7
210 1 43 VAL MG1 1 44 SER H 3.000 . 4.000 3.303 3.134 3.469 . 0 0 "[ . 1 . 2 .]" 7
211 1 43 VAL HB 1 44 SER H 3.000 . 3.500 2.759 2.698 2.849 . 0 0 "[ . 1 . 2 .]" 7
212 1 43 VAL HA 1 44 SER H 4.000 . 5.000 3.541 3.525 3.553 . 0 0 "[ . 1 . 2 .]" 7
213 1 43 VAL MG2 1 44 SER H 3.000 . 4.000 4.020 3.981 4.058 0.058 5 0 "[ . 1 . 2 .]" 7
214 1 43 VAL HA 1 45 LYS H 4.000 . 6.000 4.867 4.711 4.968 . 0 0 "[ . 1 . 2 .]" 7
215 1 43 VAL HA 1 46 ALA H 4.000 . 5.000 3.916 3.766 4.015 . 0 0 "[ . 1 . 2 .]" 7
216 1 43 VAL HA 1 47 PHE H 4.000 . 6.000 4.154 3.933 4.356 . 0 0 "[ . 1 . 2 .]" 7
217 1 43 VAL MG2 1 95 LEU H 4.000 . 5.500 2.718 2.478 2.976 . 0 0 "[ . 1 . 2 .]" 7
218 1 43 VAL MG1 1 95 LEU H 3.000 . 4.000 3.996 3.866 4.099 0.099 24 0 "[ . 1 . 2 .]" 7
219 1 44 SER H 1 45 LYS H 3.000 . 3.500 2.665 2.561 2.727 . 0 0 "[ . 1 . 2 .]" 7
220 1 44 SER H 1 45 LYS HB2 4.000 . 6.000 4.767 4.686 4.852 . 0 0 "[ . 1 . 2 .]" 7
221 1 44 SER H 1 45 LYS HG3 4.000 . 5.000 4.653 4.501 4.828 . 0 0 "[ . 1 . 2 .]" 7
222 1 44 SER H 1 46 ALA H 4.000 . 6.000 4.083 3.965 4.204 . 0 0 "[ . 1 . 2 .]" 7
223 1 45 LYS H 1 45 LYS QE 4.000 . 6.500 3.848 3.750 4.013 . 0 0 "[ . 1 . 2 .]" 7
224 1 45 LYS H 1 45 LYS HB2 2.500 . 2.900 2.453 2.405 2.502 . 0 0 "[ . 1 . 2 .]" 7
225 1 45 LYS H 1 45 LYS HG2 3.000 . 3.500 3.282 3.055 3.479 . 0 0 "[ . 1 . 2 .]" 7
226 1 45 LYS H 1 45 LYS HG3 2.500 . 2.900 2.428 2.286 2.638 . 0 0 "[ . 1 . 2 .]" 7
227 1 45 LYS HB3 1 46 ALA H 3.000 . 3.500 3.538 3.493 3.587 0.087 6 0 "[ . 1 . 2 .]" 7
228 1 45 LYS HA 1 46 ALA H 4.000 . 5.000 3.556 3.533 3.577 . 0 0 "[ . 1 . 2 .]" 7
229 1 45 LYS HB2 1 46 ALA H 3.000 . 3.500 2.623 2.519 2.734 . 0 0 "[ . 1 . 2 .]" 7
230 1 45 LYS H 1 46 ALA H 3.000 . 3.500 2.736 2.663 2.793 . 0 0 "[ . 1 . 2 .]" 7
231 1 45 LYS HG2 1 46 ALA H 4.000 . 5.000 4.890 4.806 4.968 . 0 0 "[ . 1 . 2 .]" 7
232 1 45 LYS H 1 46 ALA MB 4.000 . 5.500 4.351 4.252 4.463 . 0 0 "[ . 1 . 2 .]" 7
233 1 45 LYS H 1 47 PHE H 4.000 . 6.000 4.139 3.999 4.411 . 0 0 "[ . 1 . 2 .]" 7
234 1 46 ALA H 1 46 ALA MB 2.500 . 3.400 2.143 2.026 2.251 . 0 0 "[ . 1 . 2 .]" 7
235 1 46 ALA MB 1 47 PHE H 3.000 . 4.000 2.568 2.354 2.808 . 0 0 "[ . 1 . 2 .]" 7
236 1 46 ALA HA 1 47 PHE H 4.000 . 5.000 3.527 3.506 3.571 . 0 0 "[ . 1 . 2 .]" 7
237 1 46 ALA HA 1 49 ALA H 4.000 . 5.000 3.787 3.534 4.053 . 0 0 "[ . 1 . 2 .]" 7
238 1 46 ALA HA 1 51 ILE H 4.000 . 6.000 3.850 3.465 4.132 . 0 0 "[ . 1 . 2 .]" 7
239 1 46 ALA MB 1 51 ILE H 4.000 . 5.500 4.177 3.877 4.432 . 0 0 "[ . 1 . 2 .]" 7
240 1 46 ALA H 1 95 LEU MD1 4.000 . 5.500 5.120 4.410 5.584 0.084 11 0 "[ . 1 . 2 .]" 7
241 1 47 PHE H 1 47 PHE QB 3.000 . 4.000 2.208 2.159 2.248 . 0 0 "[ . 1 . 2 .]" 7
242 1 47 PHE H 1 47 PHE QD 4.000 . 5.000 4.118 3.931 4.185 . 0 0 "[ . 1 . 2 .]" 7
243 1 47 PHE QD 1 48 PHE H 4.000 . 5.000 3.386 2.515 3.985 . 0 0 "[ . 1 . 2 .]" 7
244 1 47 PHE QB 1 48 PHE H 3.000 . 4.000 2.540 2.414 2.722 . 0 0 "[ . 1 . 2 .]" 7
245 1 47 PHE H 1 48 PHE H 3.000 . 3.500 2.488 2.399 2.764 . 0 0 "[ . 1 . 2 .]" 7
246 1 47 PHE H 1 48 PHE QB 4.000 . 5.500 4.205 4.107 4.589 . 0 0 "[ . 1 . 2 .]" 7
247 1 47 PHE H 1 49 ALA H 4.000 . 6.000 4.099 3.946 4.285 . 0 0 "[ . 1 . 2 .]" 7
248 1 47 PHE H 1 95 LEU MD1 4.000 . 5.500 3.995 3.564 4.461 . 0 0 "[ . 1 . 2 .]" 7
249 1 48 PHE H 1 48 PHE QD 4.000 . 6.000 3.931 3.214 4.145 . 0 0 "[ . 1 . 2 .]" 7
250 1 48 PHE H 1 48 PHE QB 2.500 . 3.400 2.160 2.100 2.235 . 0 0 "[ . 1 . 2 .]" 7
251 1 48 PHE H 1 49 ALA H 3.000 . 3.500 2.717 2.637 2.779 . 0 0 "[ . 1 . 2 .]" 7
252 1 48 PHE QB 1 49 ALA H 3.000 . 4.000 2.509 2.292 3.390 . 0 0 "[ . 1 . 2 .]" 7
253 1 48 PHE H 1 50 ASP H 4.000 . 5.000 4.190 4.022 4.374 . 0 0 "[ . 1 . 2 .]" 7
254 1 49 ALA H 1 49 ALA MB 2.500 . 3.400 2.126 2.064 2.279 . 0 0 "[ . 1 . 2 .]" 7
255 1 49 ALA H 1 50 ASP HA 4.000 . 6.000 4.924 4.755 5.038 . 0 0 "[ . 1 . 2 .]" 7
256 1 49 ALA H 1 50 ASP H 3.000 . 3.500 2.913 2.755 3.051 . 0 0 "[ . 1 . 2 .]" 7
257 1 49 ALA H 1 51 ILE H 4.000 . 6.000 4.173 4.004 4.470 . 0 0 "[ . 1 . 2 .]" 7
258 1 50 ASP H 1 50 ASP HB2 4.000 . 5.000 2.926 2.848 3.021 . 0 0 "[ . 1 . 2 .]" 7
259 1 50 ASP H 1 50 ASP HB3 4.000 . 5.000 3.487 3.312 3.599 . 0 0 "[ . 1 . 2 .]" 7
260 1 50 ASP H 1 51 ILE HB 4.000 . 6.000 5.301 5.124 5.504 . 0 0 "[ . 1 . 2 .]" 7
261 1 50 ASP H 1 51 ILE H 4.000 . 5.000 3.119 2.970 3.340 . 0 0 "[ . 1 . 2 .]" 7
262 1 50 ASP HA 1 51 ILE H 4.000 . 5.000 2.511 2.406 2.587 . 0 0 "[ . 1 . 2 .]" 7
263 1 51 ILE H 1 51 ILE MD 4.000 . 5.500 3.984 3.892 4.064 . 0 0 "[ . 1 . 2 .]" 7
264 1 51 ILE H 1 51 ILE HG13 3.000 . 3.500 2.537 2.381 2.673 . 0 0 "[ . 1 . 2 .]" 7
265 1 51 ILE H 1 51 ILE HB 3.000 . 3.500 2.515 2.421 2.634 . 0 0 "[ . 1 . 2 .]" 7
266 1 51 ILE H 1 51 ILE MG 3.000 . 4.000 3.764 3.723 3.799 . 0 0 "[ . 1 . 2 .]" 7
267 1 51 ILE H 1 51 ILE HG12 4.000 . 5.000 3.040 2.780 3.205 . 0 0 "[ . 1 . 2 .]" 7
268 1 51 ILE MD 1 52 SER H 4.000 . 5.500 4.438 4.288 4.658 . 0 0 "[ . 1 . 2 .]" 7
269 1 51 ILE HA 1 52 SER H 2.500 . 2.900 2.205 2.170 2.240 . 0 0 "[ . 1 . 2 .]" 7
270 1 51 ILE MG 1 52 SER H 3.000 . 4.000 2.164 1.967 2.625 . 0 0 "[ . 1 . 2 .]" 7
271 1 51 ILE H 1 52 SER H 4.000 . 5.000 4.522 4.479 4.547 . 0 0 "[ . 1 . 2 .]" 7
272 1 51 ILE H 1 52 SER HA 4.000 . 5.000 5.145 5.110 5.173 0.173 21 0 "[ . 1 . 2 .]" 7
273 1 51 ILE MG 1 55 GLN H 4.000 . 5.500 3.574 3.390 3.813 . 0 0 "[ . 1 . 2 .]" 7
274 1 51 ILE MD 1 56 VAL H 4.000 . 5.500 5.353 5.171 5.533 0.033 8 0 "[ . 1 . 2 .]" 7
275 1 52 SER H 1 52 SER HB2 4.000 . 5.000 2.622 2.260 2.909 . 0 0 "[ . 1 . 2 .]" 7
276 1 52 SER HB2 1 53 VAL H 4.000 . 5.000 3.988 3.827 4.216 . 0 0 "[ . 1 . 2 .]" 7
277 1 52 SER HB3 1 53 VAL H 4.000 . 5.000 3.538 2.625 3.855 . 0 0 "[ . 1 . 2 .]" 7
278 1 52 SER HA 1 53 VAL H 2.500 . 2.900 2.324 2.267 2.373 . 0 0 "[ . 1 . 2 .]" 7
279 1 52 SER HA 1 55 GLN H 4.000 . 5.000 4.790 4.670 4.940 . 0 0 "[ . 1 . 2 .]" 7
280 1 52 SER HB3 1 55 GLN H 3.000 . 3.500 3.131 2.799 3.542 0.042 2 0 "[ . 1 . 2 .]" 7
281 1 53 VAL H 1 53 VAL MG2 3.000 . 4.000 2.211 2.025 2.342 . 0 0 "[ . 1 . 2 .]" 7
282 1 53 VAL H 1 53 VAL MG1 4.000 . 5.500 3.744 3.733 3.749 . 0 0 "[ . 1 . 2 .]" 7
283 1 53 VAL HA 1 56 VAL H 4.000 . 5.000 3.566 3.449 3.701 . 0 0 "[ . 1 . 2 .]" 7
284 1 54 SER HA 1 56 VAL H 4.000 . 5.000 4.359 4.246 4.426 . 0 0 "[ . 1 . 2 .]" 7
285 1 55 GLN H 1 55 GLN HB3 3.000 . 3.500 3.581 3.571 3.592 0.092 3 0 "[ . 1 . 2 .]" 7
286 1 55 GLN H 1 55 GLN HB2 2.500 . 2.900 2.459 2.386 2.526 . 0 0 "[ . 1 . 2 .]" 7
287 1 55 GLN HB3 1 56 VAL H 4.000 . 5.000 3.586 3.516 3.674 . 0 0 "[ . 1 . 2 .]" 7
288 1 55 GLN HA 1 56 VAL H 4.000 . 5.000 3.544 3.531 3.561 . 0 0 "[ . 1 . 2 .]" 7
289 1 55 GLN HB2 1 56 VAL H 3.000 . 3.500 2.596 2.527 2.674 . 0 0 "[ . 1 . 2 .]" 7
290 1 55 GLN H 1 57 LEU HB2 4.000 . 5.000 5.047 5.022 5.076 0.076 24 0 "[ . 1 . 2 .]" 7
291 1 55 GLN HA 1 58 GLU H 3.000 . 3.500 3.534 3.391 3.607 0.107 24 0 "[ . 1 . 2 .]" 7
292 1 55 GLN HA 1 59 ILE H 4.000 . 5.000 4.357 4.136 4.585 . 0 0 "[ . 1 . 2 .]" 7
293 1 56 VAL H 1 56 VAL MG1 3.000 . 4.000 3.736 3.719 3.749 . 0 0 "[ . 1 . 2 .]" 7
294 1 56 VAL H 1 56 VAL HB 2.500 . 2.900 2.436 2.359 2.536 . 0 0 "[ . 1 . 2 .]" 7
295 1 56 VAL H 1 56 VAL MG2 2.500 . 3.400 2.271 2.060 2.453 . 0 0 "[ . 1 . 2 .]" 7
296 1 56 VAL H 1 57 LEU HG 4.000 . 5.000 3.935 3.738 4.006 . 0 0 "[ . 1 . 2 .]" 7
297 1 56 VAL H 1 57 LEU HB2 4.000 . 5.000 4.767 4.718 4.806 . 0 0 "[ . 1 . 2 .]" 7
298 1 56 VAL H 1 57 LEU H 3.000 . 3.500 2.565 2.523 2.605 . 0 0 "[ . 1 . 2 .]" 7
299 1 56 VAL HB 1 57 LEU H 3.000 . 3.500 2.701 2.633 2.755 . 0 0 "[ . 1 . 2 .]" 7
300 1 56 VAL MG2 1 57 LEU H 4.000 . 5.500 3.902 3.780 3.954 . 0 0 "[ . 1 . 2 .]" 7
301 1 56 VAL HA 1 57 LEU H 4.000 . 5.000 3.517 3.511 3.530 . 0 0 "[ . 1 . 2 .]" 7
302 1 56 VAL HA 1 58 GLU H 4.000 . 6.000 4.215 4.113 4.347 . 0 0 "[ . 1 . 2 .]" 7
303 1 56 VAL HA 1 59 ILE H 3.000 . 3.500 3.270 3.092 3.455 . 0 0 "[ . 1 . 2 .]" 7
304 1 56 VAL HA 1 60 HIS H 4.000 . 5.000 4.084 3.859 4.314 . 0 0 "[ . 1 . 2 .]" 7
305 1 57 LEU H 1 57 LEU MD2 3.000 . 4.000 2.472 2.366 2.571 . 0 0 "[ . 1 . 2 .]" 7
306 1 57 LEU H 1 57 LEU HB2 3.000 . 3.500 2.550 2.528 2.571 . 0 0 "[ . 1 . 2 .]" 7
307 1 57 LEU H 1 57 LEU HB3 3.000 . 3.500 3.550 3.529 3.564 0.064 8 0 "[ . 1 . 2 .]" 7
308 1 57 LEU H 1 58 GLU H 3.000 . 3.500 2.648 2.580 2.707 . 0 0 "[ . 1 . 2 .]" 7
309 1 57 LEU MD2 1 58 GLU H 3.000 . 4.000 4.221 4.185 4.257 0.257 22 0 "[ . 1 . 2 .]" 7
310 1 57 LEU HB2 1 58 GLU H 3.000 . 3.500 2.496 2.438 2.537 . 0 0 "[ . 1 . 2 .]" 7
311 1 57 LEU HB3 1 58 GLU H 3.000 . 3.500 3.644 3.613 3.674 0.174 23 0 "[ . 1 . 2 .]" 7
312 1 57 LEU H 1 59 ILE H 4.000 . 5.000 4.144 3.978 4.307 . 0 0 "[ . 1 . 2 .]" 7
313 1 57 LEU HA 1 60 HIS H 4.000 . 5.000 3.462 3.296 3.680 . 0 0 "[ . 1 . 2 .]" 7
314 1 57 LEU H 1 60 HIS H 4.000 . 5.000 4.583 4.409 4.686 . 0 0 "[ . 1 . 2 .]" 7
315 1 58 GLU H 1 58 GLU HG3 3.000 . 3.500 2.520 2.194 3.611 0.111 2 0 "[ . 1 . 2 .]" 7
316 1 58 GLU H 1 59 ILE H 3.000 . 3.500 2.576 2.501 2.683 . 0 0 "[ . 1 . 2 .]" 7
317 1 58 GLU HA 1 59 ILE H 4.000 . 5.000 3.551 3.522 3.573 . 0 0 "[ . 1 . 2 .]" 7
318 1 58 GLU HG3 1 59 ILE H 4.000 . 5.000 4.391 4.186 4.921 . 0 0 "[ . 1 . 2 .]" 7
319 1 58 GLU HB2 1 59 ILE H 3.000 . 3.500 2.551 2.481 2.656 . 0 0 "[ . 1 . 2 .]" 7
320 1 58 GLU H 1 59 ILE HG12 4.000 . 6.000 5.731 4.171 6.002 0.002 23 0 "[ . 1 . 2 .]" 7
321 1 58 GLU H 1 60 HIS H 3.000 . 3.500 3.741 3.685 3.778 0.278 15 0 "[ . 1 . 2 .]" 7
322 1 58 GLU HA 1 61 VAL H 3.000 . 3.500 3.268 3.178 3.335 . 0 0 "[ . 1 . 2 .]" 7
323 1 58 GLU H 1 61 VAL MG2 4.000 . 6.500 3.996 3.880 4.128 . 0 0 "[ . 1 . 2 .]" 7
324 1 58 GLU HA 1 62 GLU H 4.000 . 5.000 3.897 3.629 4.094 . 0 0 "[ . 1 . 2 .]" 7
325 1 59 ILE H 1 59 ILE HG12 3.000 . 3.500 3.344 2.089 3.514 0.014 13 0 "[ . 1 . 2 .]" 7
326 1 59 ILE H 1 59 ILE MG 3.000 . 4.000 3.752 3.740 3.762 . 0 0 "[ . 1 . 2 .]" 7
327 1 59 ILE H 1 59 ILE HB 2.500 . 2.900 2.500 2.430 2.544 . 0 0 "[ . 1 . 2 .]" 7
328 1 59 ILE HG12 1 60 HIS H 4.000 . 5.000 4.961 4.184 5.023 0.023 21 0 "[ . 1 . 2 .]" 7
329 1 59 ILE H 1 60 HIS H 3.000 . 3.500 2.528 2.466 2.584 . 0 0 "[ . 1 . 2 .]" 7
330 1 59 ILE HB 1 60 HIS H 3.000 . 3.500 2.762 2.693 2.814 . 0 0 "[ . 1 . 2 .]" 7
331 1 59 ILE H 1 60 HIS HB2 4.000 . 6.000 4.934 4.841 5.110 . 0 0 "[ . 1 . 2 .]" 7
332 1 59 ILE H 1 60 HIS HB3 4.000 . 6.000 4.768 4.580 4.966 . 0 0 "[ . 1 . 2 .]" 7
333 1 59 ILE H 1 61 VAL H 4.000 . 6.000 4.269 4.173 4.350 . 0 0 "[ . 1 . 2 .]" 7
334 1 59 ILE MG 1 61 VAL H 4.000 . 5.500 5.244 5.114 5.347 . 0 0 "[ . 1 . 2 .]" 7
335 1 59 ILE HB 1 61 VAL H 4.000 . 6.000 5.257 5.190 5.326 . 0 0 "[ . 1 . 2 .]" 7
336 1 59 ILE HA 1 62 GLU H 4.000 . 5.000 3.502 3.388 3.637 . 0 0 "[ . 1 . 2 .]" 7
337 1 59 ILE MG 1 62 GLU H 4.000 . 6.500 4.711 4.611 4.859 . 0 0 "[ . 1 . 2 .]" 7
338 1 59 ILE HA 1 63 LEU H 4.000 . 5.000 3.796 3.461 3.987 . 0 0 "[ . 1 . 2 .]" 7
339 1 60 HIS H 1 60 HIS HB3 3.000 . 3.500 2.510 2.333 2.631 . 0 0 "[ . 1 . 2 .]" 7
340 1 60 HIS H 1 60 HIS HB2 3.000 . 3.500 2.581 2.504 2.730 . 0 0 "[ . 1 . 2 .]" 7
341 1 60 HIS H 1 61 VAL H 3.000 . 3.500 2.620 2.554 2.649 . 0 0 "[ . 1 . 2 .]" 7
342 1 60 HIS HB3 1 61 VAL H 3.000 . 3.500 2.229 2.150 2.290 . 0 0 "[ . 1 . 2 .]" 7
343 1 60 HIS HB2 1 61 VAL H 3.000 . 3.500 3.628 3.584 3.709 0.209 24 0 "[ . 1 . 2 .]" 7
344 1 60 HIS HD2 1 61 VAL H 4.000 . 5.000 3.785 3.202 4.109 . 0 0 "[ . 1 . 2 .]" 7
345 1 60 HIS HA 1 61 VAL H 4.000 . 5.000 3.526 3.509 3.539 . 0 0 "[ . 1 . 2 .]" 7
346 1 60 HIS HB2 1 63 LEU H 4.000 . 6.000 5.541 5.387 5.646 . 0 0 "[ . 1 . 2 .]" 7
347 1 60 HIS HB2 1 88 LEU H 4.000 . 6.000 6.055 5.979 6.108 0.108 17 0 "[ . 1 . 2 .]" 7
348 1 60 HIS HE1 1 88 LEU H 4.000 . 6.000 3.607 3.093 4.218 . 0 0 "[ . 1 . 2 .]" 7
349 1 61 VAL H 1 61 VAL MG2 2.500 . 3.400 1.919 1.811 2.003 . 0 0 "[ . 1 . 2 .]" 7
350 1 61 VAL H 1 61 VAL HB 2.500 . 2.900 2.602 2.564 2.648 . 0 0 "[ . 1 . 2 .]" 7
351 1 61 VAL H 1 61 VAL MG1 3.000 . 4.000 3.717 3.705 3.733 . 0 0 "[ . 1 . 2 .]" 7
352 1 61 VAL MG2 1 62 GLU H 3.000 . 4.000 3.619 3.572 3.659 . 0 0 "[ . 1 . 2 .]" 7
353 1 61 VAL MG1 1 62 GLU H 3.000 . 4.000 3.402 3.351 3.467 . 0 0 "[ . 1 . 2 .]" 7
354 1 61 VAL H 1 62 GLU H 3.000 . 3.500 2.788 2.739 2.826 . 0 0 "[ . 1 . 2 .]" 7
355 1 61 VAL HA 1 62 GLU H 4.000 . 5.000 3.523 3.512 3.531 . 0 0 "[ . 1 . 2 .]" 7
356 1 61 VAL HA 1 63 LEU H 4.000 . 5.000 4.565 4.349 4.772 . 0 0 "[ . 1 . 2 .]" 7
357 1 61 VAL HA 1 64 MET H 4.000 . 5.000 3.775 3.561 3.983 . 0 0 "[ . 1 . 2 .]" 7
358 1 61 VAL HA 1 65 ASP H 4.000 . 5.000 4.082 3.906 4.292 . 0 0 "[ . 1 . 2 .]" 7
359 1 62 GLU H 1 62 GLU HG3 4.000 . 5.000 4.334 4.283 4.364 . 0 0 "[ . 1 . 2 .]" 7
360 1 62 GLU HG3 1 63 LEU H 4.000 . 5.000 4.781 4.694 4.914 . 0 0 "[ . 1 . 2 .]" 7
361 1 62 GLU HB3 1 63 LEU H 2.500 . 2.900 2.422 2.342 2.571 . 0 0 "[ . 1 . 2 .]" 7
362 1 62 GLU H 1 63 LEU H 2.500 . 2.900 2.589 2.517 2.658 . 0 0 "[ . 1 . 2 .]" 7
363 1 62 GLU H 1 63 LEU QB 4.000 . 5.500 4.365 4.293 4.443 . 0 0 "[ . 1 . 2 .]" 7
364 1 62 GLU H 1 64 MET H 4.000 . 5.000 4.162 4.078 4.255 . 0 0 "[ . 1 . 2 .]" 7
365 1 62 GLU HA 1 65 ASP H 3.000 . 3.500 3.515 3.478 3.551 0.051 21 0 "[ . 1 . 2 .]" 7
366 1 62 GLU H 1 65 ASP HB2 4.000 . 6.000 4.830 4.682 5.016 . 0 0 "[ . 1 . 2 .]" 7
367 1 63 LEU H 1 63 LEU HG 4.000 . 5.000 4.436 4.395 4.472 . 0 0 "[ . 1 . 2 .]" 7
368 1 63 LEU H 1 63 LEU QB 2.500 . 3.400 2.261 2.210 2.285 . 0 0 "[ . 1 . 2 .]" 7
369 1 63 LEU H 1 64 MET H 2.500 . 2.900 2.638 2.592 2.704 . 0 0 "[ . 1 . 2 .]" 7
370 1 63 LEU HG 1 64 MET H 4.000 . 5.000 3.832 3.450 4.151 . 0 0 "[ . 1 . 2 .]" 7
371 1 63 LEU MD2 1 64 MET H 4.000 . 5.500 4.077 3.828 4.196 . 0 0 "[ . 1 . 2 .]" 7
372 1 63 LEU QB 1 65 ASP H 4.000 . 6.500 4.385 4.339 4.435 . 0 0 "[ . 1 . 2 .]" 7
373 1 63 LEU H 1 65 ASP H 3.000 . 3.500 3.711 3.679 3.782 0.282 23 0 "[ . 1 . 2 .]" 7
374 1 63 LEU MD1 1 67 PHE H 4.000 . 5.500 4.318 3.642 4.882 . 0 0 "[ . 1 . 2 .]" 7
375 1 64 MET H 1 64 MET HG3 3.000 . 3.500 3.578 3.502 3.628 0.128 17 0 "[ . 1 . 2 .]" 7
376 1 64 MET H 1 64 MET HB2 3.000 . 3.500 2.481 2.417 2.557 . 0 0 "[ . 1 . 2 .]" 7
377 1 64 MET H 1 65 ASP H 3.000 . 3.500 2.548 2.510 2.590 . 0 0 "[ . 1 . 2 .]" 7
378 1 64 MET HB3 1 65 ASP H 4.000 . 5.000 3.788 3.717 3.836 . 0 0 "[ . 1 . 2 .]" 7
379 1 64 MET HB2 1 65 ASP H 3.000 . 3.500 2.754 2.707 2.788 . 0 0 "[ . 1 . 2 .]" 7
380 1 64 MET HB3 1 66 THR H 4.000 . 6.000 5.691 5.590 5.940 . 0 0 "[ . 1 . 2 .]" 7
381 1 64 MET H 1 81 LEU MD1 4.000 . 6.500 4.669 4.505 4.960 . 0 0 "[ . 1 . 2 .]" 7
382 1 65 ASP H 1 65 ASP HB3 2.500 . 2.900 2.670 2.585 2.746 . 0 0 "[ . 1 . 2 .]" 7
383 1 65 ASP HB2 1 66 THR H 3.000 . 3.500 3.604 3.565 3.645 0.145 8 0 "[ . 1 . 2 .]" 7
384 1 65 ASP H 1 66 THR H 3.000 . 3.500 2.560 2.521 2.672 . 0 0 "[ . 1 . 2 .]" 7
385 1 66 THR H 1 66 THR HB 2.500 . 2.900 2.436 2.219 2.555 . 0 0 "[ . 1 . 2 .]" 7
386 1 66 THR H 1 66 THR MG 3.000 . 4.000 3.711 3.649 3.731 . 0 0 "[ . 1 . 2 .]" 7
387 1 66 THR H 1 67 PHE H 3.000 . 3.500 2.771 2.678 2.845 . 0 0 "[ . 1 . 2 .]" 7
388 1 66 THR MG 1 67 PHE H 4.000 . 5.500 3.267 2.763 3.529 . 0 0 "[ . 1 . 2 .]" 7
389 1 66 THR HB 1 67 PHE H 3.000 . 3.500 2.477 2.319 2.594 . 0 0 "[ . 1 . 2 .]" 7
390 1 66 THR HA 1 69 LYS H 3.000 . 3.500 3.591 3.543 3.642 0.142 7 0 "[ . 1 . 2 .]" 7
391 1 66 THR H 1 69 LYS HG3 4.000 . 6.000 5.430 5.034 5.807 . 0 0 "[ . 1 . 2 .]" 7
392 1 67 PHE H 1 67 PHE QD 4.000 . 5.000 2.585 1.872 3.146 . 0 0 "[ . 1 . 2 .]" 7
393 1 67 PHE H 1 67 PHE HB2 3.000 . 3.500 2.269 2.208 2.304 . 0 0 "[ . 1 . 2 .]" 7
394 1 67 PHE H 1 67 PHE HB3 3.000 . 3.500 3.543 3.511 3.557 0.057 18 0 "[ . 1 . 2 .]" 7
395 1 67 PHE H 1 81 LEU MD1 4.000 . 5.500 3.740 3.378 4.007 . 0 0 "[ . 1 . 2 .]" 7
396 1 69 LYS H 1 69 LYS QB 3.000 . 4.000 2.449 2.365 2.742 . 0 0 "[ . 1 . 2 .]" 7
397 1 69 LYS H 1 69 LYS HG3 4.000 . 5.000 2.612 2.150 3.540 . 0 0 "[ . 1 . 2 .]" 7
398 1 69 LYS H 1 69 LYS HG2 4.000 . 6.000 2.921 1.747 3.533 0.053 9 0 "[ . 1 . 2 .]" 7
399 1 70 GLN H 1 70 GLN HG3 4.000 . 5.000 3.664 2.259 4.455 . 0 0 "[ . 1 . 2 .]" 7
400 1 70 GLN H 1 70 GLN QB 3.000 . 4.000 2.249 2.044 2.394 . 0 0 "[ . 1 . 2 .]" 7
401 1 70 GLN QB 1 71 LEU H 4.000 . 5.500 2.252 2.076 2.466 . 0 0 "[ . 1 . 2 .]" 7
402 1 70 GLN H 1 71 LEU H 4.000 . 6.000 2.839 2.716 2.964 . 0 0 "[ . 1 . 2 .]" 7
403 1 70 GLN HE22 1 74 GLU HG3 4.000 . 6.000 5.535 4.262 6.051 0.051 20 0 "[ . 1 . 2 .]" 7
404 1 71 LEU H 1 71 LEU MD2 4.000 . 5.500 1.886 1.767 2.190 0.033 25 0 "[ . 1 . 2 .]" 7
405 1 71 LEU H 1 71 LEU HB2 3.000 . 3.500 2.431 2.337 2.538 . 0 0 "[ . 1 . 2 .]" 7
406 1 71 LEU H 1 71 LEU HB3 4.000 . 5.000 3.615 3.591 3.639 . 0 0 "[ . 1 . 2 .]" 7
407 1 71 LEU H 1 72 LYS H 4.000 . 5.000 2.922 2.738 3.144 . 0 0 "[ . 1 . 2 .]" 7
408 1 71 LEU MD2 1 72 LYS H 4.000 . 5.500 4.001 3.854 4.117 . 0 0 "[ . 1 . 2 .]" 7
409 1 71 LEU HB3 1 72 LYS H 4.000 . 5.000 3.462 3.228 3.675 . 0 0 "[ . 1 . 2 .]" 7
410 1 71 LEU HA 1 72 LYS H 4.000 . 5.000 3.557 3.505 3.584 . 0 0 "[ . 1 . 2 .]" 7
411 1 71 LEU H 1 74 GLU HG3 4.000 . 6.000 4.995 4.608 5.403 . 0 0 "[ . 1 . 2 .]" 7
412 1 71 LEU HG 1 80 ILE H 4.000 . 6.000 4.561 4.346 5.053 . 0 0 "[ . 1 . 2 .]" 7
413 1 71 LEU HG 1 81 LEU H 3.000 . 3.500 3.485 3.236 3.569 0.069 22 0 "[ . 1 . 2 .]" 7
414 1 72 LYS H 1 72 LYS HG3 4.000 . 5.000 2.590 2.116 4.233 . 0 0 "[ . 1 . 2 .]" 7
415 1 72 LYS H 1 72 LYS QB 3.000 . 4.000 2.375 2.056 2.502 . 0 0 "[ . 1 . 2 .]" 7
416 1 72 LYS H 1 73 LEU H 4.000 . 5.000 2.744 2.662 2.890 . 0 0 "[ . 1 . 2 .]" 7
417 1 73 LEU H 1 73 LEU HB2 2.500 . 2.900 2.503 2.419 2.646 . 0 0 "[ . 1 . 2 .]" 7
418 1 73 LEU H 1 73 LEU HB3 3.000 . 3.500 3.570 3.554 3.608 0.108 21 0 "[ . 1 . 2 .]" 7
419 1 73 LEU H 1 74 GLU HG2 4.000 . 5.000 3.883 3.749 4.072 . 0 0 "[ . 1 . 2 .]" 7
420 1 74 GLU H 1 74 GLU HB2 3.000 . 3.500 2.589 2.526 2.675 . 0 0 "[ . 1 . 2 .]" 7
421 1 74 GLU H 1 74 GLU HB3 4.000 . 5.000 3.574 3.554 3.640 . 0 0 "[ . 1 . 2 .]" 7
422 1 74 GLU H 1 74 GLU HG3 4.000 . 5.000 3.577 3.498 3.694 . 0 0 "[ . 1 . 2 .]" 7
423 1 75 GLY HA3 1 76 ARG H 4.000 . 5.000 3.417 3.199 3.597 . 0 0 "[ . 1 . 2 .]" 7
424 1 76 ARG H 1 76 ARG QD 4.000 . 6.500 4.049 2.044 4.703 . 0 0 "[ . 1 . 2 .]" 7
425 1 78 GLU HA 1 79 ASP H 4.000 . 5.000 3.388 3.289 3.570 . 0 0 "[ . 1 . 2 .]" 7
426 1 79 ASP H 1 79 ASP HB2 4.000 . 5.000 2.523 2.391 3.195 . 0 0 "[ . 1 . 2 .]" 7
427 1 79 ASP H 1 80 ILE H 4.000 . 6.000 2.829 2.683 3.914 . 0 0 "[ . 1 . 2 .]" 7
428 1 79 ASP HA 1 80 ILE H 3.000 . 3.500 3.531 3.515 3.542 0.042 11 0 "[ . 1 . 2 .]" 7
429 1 79 ASP HB2 1 80 ILE H 4.000 . 5.000 2.628 1.902 2.757 . 0 0 "[ . 1 . 2 .]" 7
430 1 80 ILE H 1 80 ILE HG13 4.000 . 5.000 4.473 4.423 4.509 . 0 0 "[ . 1 . 2 .]" 7
431 1 80 ILE H 1 80 ILE HG12 4.000 . 5.000 4.232 4.074 4.336 . 0 0 "[ . 1 . 2 .]" 7
432 1 80 ILE H 1 80 ILE HB 3.000 . 3.500 2.847 2.721 2.984 . 0 0 "[ . 1 . 2 .]" 7
433 1 80 ILE H 1 80 ILE MG 3.000 . 4.000 1.766 1.703 1.834 0.097 17 0 "[ . 1 . 2 .]" 7
434 1 80 ILE HA 1 81 LEU H 4.000 . 5.000 3.547 3.525 3.572 . 0 0 "[ . 1 . 2 .]" 7
435 1 80 ILE MG 1 81 LEU H 4.000 . 5.500 1.757 1.705 1.884 0.095 1 0 "[ . 1 . 2 .]" 7
436 1 80 ILE H 1 81 LEU H 4.000 . 5.000 2.627 2.465 2.862 . 0 0 "[ . 1 . 2 .]" 7
437 1 80 ILE HG12 1 83 ASP H 4.000 . 5.000 5.058 4.984 5.108 0.108 23 0 "[ . 1 . 2 .]" 7
438 1 81 LEU H 1 81 LEU MD1 4.000 . 5.500 3.954 3.868 4.032 . 0 0 "[ . 1 . 2 .]" 7
439 1 82 LEU H 1 82 LEU QB 3.000 . 4.000 2.026 1.983 2.059 . 0 0 "[ . 1 . 2 .]" 7
440 1 82 LEU MD2 1 83 ASP H 4.000 . 5.500 4.581 4.406 4.903 . 0 0 "[ . 1 . 2 .]" 7
441 1 82 LEU QB 1 83 ASP H 4.000 . 5.500 2.994 2.539 3.462 . 0 0 "[ . 1 . 2 .]" 7
442 1 82 LEU MD1 1 83 ASP H 4.000 . 5.500 3.910 3.731 4.197 . 0 0 "[ . 1 . 2 .]" 7
443 1 83 ASP H 1 83 ASP HB2 3.000 . 3.500 3.607 3.524 3.677 0.177 4 0 "[ . 1 . 2 .]" 7
444 1 83 ASP H 1 83 ASP HB3 3.000 . 3.500 2.600 2.427 2.999 . 0 0 "[ . 1 . 2 .]" 7
445 1 83 ASP HB2 1 86 LEU H 4.000 . 6.000 4.813 4.493 5.176 . 0 0 "[ . 1 . 2 .]" 7
446 1 84 TYR HB2 1 85 ARG H 4.000 . 6.000 3.271 3.040 3.480 . 0 0 "[ . 1 . 2 .]" 7
447 1 84 TYR HA 1 86 LEU H 4.000 . 5.000 3.782 3.531 4.050 . 0 0 "[ . 1 . 2 .]" 7
448 1 84 TYR QD 1 87 THR H 4.000 . 6.000 4.623 3.819 5.198 . 0 0 "[ . 1 . 2 .]" 7
449 1 84 TYR HA 1 87 THR H 3.000 . 3.500 2.944 2.762 3.236 . 0 0 "[ . 1 . 2 .]" 7
450 1 85 ARG QG 1 86 LEU H 4.000 . 5.500 1.934 1.740 2.935 0.060 22 0 "[ . 1 . 2 .]" 7
451 1 85 ARG H 1 86 LEU H 4.000 . 5.000 2.738 2.664 2.803 . 0 0 "[ . 1 . 2 .]" 7
452 1 86 LEU H 1 86 LEU MD1 4.000 . 5.500 3.426 3.150 3.602 . 0 0 "[ . 1 . 2 .]" 7
453 1 86 LEU H 1 86 LEU MD2 4.000 . 5.500 3.493 3.238 3.856 . 0 0 "[ . 1 . 2 .]" 7
454 1 86 LEU H 1 86 LEU HB2 3.000 . 3.500 2.424 2.299 2.491 . 0 0 "[ . 1 . 2 .]" 7
455 1 86 LEU H 1 87 THR H 3.000 . 3.500 2.698 2.591 2.812 . 0 0 "[ . 1 . 2 .]" 7
456 1 86 LEU MD1 1 87 THR H 4.000 . 6.500 4.403 4.251 4.511 . 0 0 "[ . 1 . 2 .]" 7
457 1 86 LEU HB3 1 87 THR H 3.000 . 3.500 3.531 3.394 3.582 0.082 15 0 "[ . 1 . 2 .]" 7
458 1 86 LEU HB2 1 87 THR H 4.000 . 5.000 2.557 2.487 2.660 . 0 0 "[ . 1 . 2 .]" 7
459 1 86 LEU H 1 89 ILE MD 4.000 . 5.500 5.230 4.259 5.545 0.045 10 0 "[ . 1 . 2 .]" 7
460 1 86 LEU HA 1 90 ASP H 4.000 . 5.000 3.941 3.580 4.178 . 0 0 "[ . 1 . 2 .]" 7
461 1 87 THR H 1 87 THR HB 3.000 . 3.500 2.645 2.561 2.715 . 0 0 "[ . 1 . 2 .]" 7
462 1 87 THR H 1 87 THR MG 4.000 . 5.500 3.735 3.725 3.747 . 0 0 "[ . 1 . 2 .]" 7
463 1 87 THR H 1 88 LEU H 4.000 . 5.000 2.732 2.645 2.832 . 0 0 "[ . 1 . 2 .]" 7
464 1 87 THR HA 1 88 LEU H 4.000 . 6.000 3.562 3.546 3.578 . 0 0 "[ . 1 . 2 .]" 7
465 1 87 THR H 1 88 LEU HB2 4.000 . 5.000 4.945 4.752 5.095 0.095 3 0 "[ . 1 . 2 .]" 7
466 1 88 LEU H 1 88 LEU HB3 3.000 . 3.500 2.683 2.478 2.834 . 0 0 "[ . 1 . 2 .]" 7
467 1 88 LEU H 1 88 LEU HB2 3.000 . 3.500 2.367 2.221 2.540 . 0 0 "[ . 1 . 2 .]" 7
468 1 88 LEU H 1 88 LEU MD1 4.000 . 5.500 4.139 3.947 4.274 . 0 0 "[ . 1 . 2 .]" 7
469 1 88 LEU H 1 88 LEU HG 4.000 . 5.000 4.395 4.177 4.630 . 0 0 "[ . 1 . 2 .]" 7
470 1 88 LEU H 1 89 ILE H 4.000 . 5.000 2.750 2.641 2.850 . 0 0 "[ . 1 . 2 .]" 7
471 1 88 LEU HB3 1 89 ILE H 4.000 . 5.000 2.360 2.140 2.524 . 0 0 "[ . 1 . 2 .]" 7
472 1 88 LEU HB2 1 89 ILE H 4.000 . 5.000 3.620 3.401 3.853 . 0 0 "[ . 1 . 2 .]" 7
473 1 88 LEU HG 1 89 ILE H 4.000 . 5.000 4.779 4.652 4.933 . 0 0 "[ . 1 . 2 .]" 7
474 1 88 LEU MD1 1 89 ILE H 4.000 . 5.500 3.489 2.603 4.229 . 0 0 "[ . 1 . 2 .]" 7
475 1 88 LEU HA 1 91 VAL H 4.000 . 5.000 3.481 3.278 3.681 . 0 0 "[ . 1 . 2 .]" 7
476 1 89 ILE H 1 89 ILE HG13 2.500 . 2.900 2.334 2.134 2.719 . 0 0 "[ . 1 . 2 .]" 7
477 1 89 ILE H 1 89 ILE HG12 3.000 . 3.500 2.850 2.137 3.582 0.082 8 0 "[ . 1 . 2 .]" 7
478 1 89 ILE HB 1 90 ASP H 3.000 . 3.500 2.623 2.434 2.773 . 0 0 "[ . 1 . 2 .]" 7
479 1 89 ILE MG 1 90 ASP H 3.000 . 4.000 3.492 3.292 3.637 . 0 0 "[ . 1 . 2 .]" 7
480 1 89 ILE HA 1 90 ASP H 4.000 . 6.000 3.534 3.513 3.562 . 0 0 "[ . 1 . 2 .]" 7
481 1 89 ILE HA 1 91 VAL H 4.000 . 6.000 4.459 4.289 4.626 . 0 0 "[ . 1 . 2 .]" 7
482 1 89 ILE HA 1 92 ILE H 4.000 . 6.000 3.835 3.564 4.086 . 0 0 "[ . 1 . 2 .]" 7
483 1 89 ILE HA 1 93 ALA H 4.000 . 6.000 4.055 3.664 4.391 . 0 0 "[ . 1 . 2 .]" 7
484 1 90 ASP H 1 90 ASP QB 2.500 . 3.400 2.309 2.064 2.415 . 0 0 "[ . 1 . 2 .]" 7
485 1 90 ASP H 1 91 VAL H 3.000 . 3.500 2.641 2.523 2.746 . 0 0 "[ . 1 . 2 .]" 7
486 1 90 ASP QB 1 91 VAL H 3.000 . 4.000 2.641 2.473 3.293 . 0 0 "[ . 1 . 2 .]" 7
487 1 90 ASP HA 1 91 VAL H 4.000 . 5.000 3.550 3.522 3.570 . 0 0 "[ . 1 . 2 .]" 7
488 1 90 ASP HA 1 93 ALA H 4.000 . 5.000 3.492 3.287 3.666 . 0 0 "[ . 1 . 2 .]" 7
489 1 91 VAL H 1 91 VAL MG2 3.000 . 4.000 2.370 2.177 2.515 . 0 0 "[ . 1 . 2 .]" 7
490 1 91 VAL H 1 91 VAL MG1 3.000 . 4.000 3.727 3.695 3.750 . 0 0 "[ . 1 . 2 .]" 7
491 1 91 VAL H 1 91 VAL HB 3.000 . 3.500 2.386 2.305 2.499 . 0 0 "[ . 1 . 2 .]" 7
492 1 91 VAL H 1 92 ILE H 3.000 . 3.500 2.842 2.742 2.928 . 0 0 "[ . 1 . 2 .]" 7
493 1 91 VAL HB 1 92 ILE H 4.000 . 5.000 2.469 2.362 2.553 . 0 0 "[ . 1 . 2 .]" 7
494 1 91 VAL HA 1 92 ILE H 4.000 . 5.000 3.584 3.572 3.605 . 0 0 "[ . 1 . 2 .]" 7
495 1 91 VAL MG1 1 92 ILE H 3.000 . 4.000 3.013 2.727 3.227 . 0 0 "[ . 1 . 2 .]" 7
496 1 91 VAL HA 1 94 HIS H 4.000 . 5.000 3.543 3.334 3.759 . 0 0 "[ . 1 . 2 .]" 7
497 1 91 VAL HA 1 95 LEU H 4.000 . 5.000 4.347 4.135 4.458 . 0 0 "[ . 1 . 2 .]" 7
498 1 92 ILE H 1 92 ILE HG13 3.000 . 3.500 3.004 1.796 3.274 0.004 8 0 "[ . 1 . 2 .]" 7
499 1 92 ILE H 1 92 ILE HG12 4.000 . 5.000 1.998 1.824 3.333 . 0 0 "[ . 1 . 2 .]" 7
500 1 92 ILE H 1 92 ILE MG 3.000 . 4.000 2.343 2.055 3.755 . 0 0 "[ . 1 . 2 .]" 7
501 1 92 ILE H 1 92 ILE HB 3.000 . 3.500 3.528 2.581 3.599 0.099 13 0 "[ . 1 . 2 .]" 7
502 1 92 ILE H 1 93 ALA MB 4.000 . 5.500 4.201 4.157 4.257 . 0 0 "[ . 1 . 2 .]" 7
503 1 92 ILE HG13 1 93 ALA H 4.000 . 5.000 2.350 2.026 4.075 . 0 0 "[ . 1 . 2 .]" 7
504 1 92 ILE H 1 93 ALA H 3.000 . 3.500 2.523 2.483 2.588 . 0 0 "[ . 1 . 2 .]" 7
505 1 92 ILE MG 1 93 ALA H 3.000 . 4.000 3.895 3.568 4.074 0.074 8 0 "[ . 1 . 2 .]" 7
506 1 92 ILE HG12 1 93 ALA H 4.000 . 5.000 2.739 2.294 4.930 . 0 0 "[ . 1 . 2 .]" 7
507 1 92 ILE HB 1 93 ALA H 4.000 . 5.000 3.731 2.604 3.947 . 0 0 "[ . 1 . 2 .]" 7
508 1 92 ILE MG 1 94 HIS H 4.000 . 6.500 5.301 5.081 5.510 . 0 0 "[ . 1 . 2 .]" 7
509 1 92 ILE HA 1 95 LEU H 3.000 . 3.500 3.530 3.473 3.574 0.074 20 0 "[ . 1 . 2 .]" 7
510 1 92 ILE HA 1 96 CYS H 4.000 . 5.000 3.934 3.532 4.162 . 0 0 "[ . 1 . 2 .]" 7
511 1 93 ALA H 1 93 ALA MB 2.500 . 3.400 2.216 2.154 2.255 . 0 0 "[ . 1 . 2 .]" 7
512 1 93 ALA MB 1 94 HIS H 3.000 . 4.000 2.599 2.421 2.778 . 0 0 "[ . 1 . 2 .]" 7
513 1 93 ALA H 1 94 HIS H 3.000 . 3.500 2.574 2.408 2.778 . 0 0 "[ . 1 . 2 .]" 7
514 1 93 ALA H 1 95 LEU H 4.000 . 6.000 4.434 4.202 4.528 . 0 0 "[ . 1 . 2 .]" 7
515 1 93 ALA H 1 96 CYS HB2 4.000 . 6.000 4.738 4.234 5.023 . 0 0 "[ . 1 . 2 .]" 7
516 1 94 HIS H 1 94 HIS QB 2.500 . 3.400 2.178 2.057 2.386 . 0 0 "[ . 1 . 2 .]" 7
517 1 94 HIS HA 1 95 LEU H 4.000 . 5.000 3.598 3.577 3.617 . 0 0 "[ . 1 . 2 .]" 7
518 1 94 HIS QB 1 95 LEU H 3.000 . 4.000 2.397 2.265 2.555 . 0 0 "[ . 1 . 2 .]" 7
519 1 94 HIS H 1 95 LEU H 3.000 . 3.500 2.821 2.760 2.906 . 0 0 "[ . 1 . 2 .]" 7
520 1 94 HIS HA 1 96 CYS H 4.000 . 5.000 4.371 4.089 4.560 . 0 0 "[ . 1 . 2 .]" 7
521 1 94 HIS HA 1 97 GLU H 4.000 . 6.000 3.377 3.072 3.687 . 0 0 "[ . 1 . 2 .]" 7
522 1 94 HIS HA 1 98 MET H 4.000 . 6.000 4.641 4.397 4.772 . 0 0 "[ . 1 . 2 .]" 7
523 1 95 LEU H 1 95 LEU HB3 3.000 . 3.500 2.179 2.143 2.203 . 0 0 "[ . 1 . 2 .]" 7
524 1 95 LEU H 1 95 LEU MD2 3.000 . 4.000 2.900 2.096 3.605 . 0 0 "[ . 1 . 2 .]" 7
525 1 95 LEU H 1 95 LEU HB2 3.000 . 3.500 3.486 3.458 3.504 0.004 8 0 "[ . 1 . 2 .]" 7
526 1 95 LEU H 1 96 CYS H 3.000 . 3.500 2.604 2.529 2.684 . 0 0 "[ . 1 . 2 .]" 7
527 1 95 LEU HB3 1 96 CYS H 3.000 . 3.500 3.540 3.499 3.579 0.079 2 0 "[ . 1 . 2 .]" 7
528 1 95 LEU MD1 1 98 MET H 4.000 . 5.500 4.889 4.070 5.658 0.158 1 0 "[ . 1 . 2 .]" 7
529 1 95 LEU MD1 1 99 TYR H 4.000 . 5.500 4.454 3.566 5.510 0.010 16 0 "[ . 1 . 2 .]" 7
530 1 96 CYS H 1 96 CYS HB3 3.000 . 3.500 3.558 3.531 3.572 0.072 20 0 "[ . 1 . 2 .]" 7
531 1 96 CYS HB3 1 97 GLU H 4.000 . 6.000 3.614 3.440 3.826 . 0 0 "[ . 1 . 2 .]" 7
532 1 96 CYS H 1 97 GLU H 4.000 . 5.000 2.611 2.423 2.723 . 0 0 "[ . 1 . 2 .]" 7
533 1 96 CYS HB2 1 97 GLU H 4.000 . 5.000 2.779 2.677 3.052 . 0 0 "[ . 1 . 2 .]" 7
534 1 96 CYS H 1 98 MET H 4.000 . 6.000 3.961 3.850 4.288 . 0 0 "[ . 1 . 2 .]" 7
535 1 96 CYS HA 1 99 TYR H 2.500 . 2.900 3.043 2.988 3.115 0.215 8 0 "[ . 1 . 2 .]" 7
536 1 97 GLU H 1 97 GLU HB2 3.000 . 3.500 2.372 2.298 2.440 . 0 0 "[ . 1 . 2 .]" 7
537 1 97 GLU H 1 97 GLU HG3 4.000 . 5.000 3.044 2.275 3.753 . 0 0 "[ . 1 . 2 .]" 7
538 1 97 GLU H 1 97 GLU HB3 4.000 . 5.000 3.582 3.555 3.600 . 0 0 "[ . 1 . 2 .]" 7
539 1 97 GLU H 1 97 GLU HG2 4.000 . 5.000 2.956 2.383 3.739 . 0 0 "[ . 1 . 2 .]" 7
540 1 97 GLU H 1 98 MET H 3.000 . 3.500 2.581 2.535 2.701 . 0 0 "[ . 1 . 2 .]" 7
541 1 97 GLU HG3 1 98 MET H 4.000 . 6.000 4.801 4.354 5.231 . 0 0 "[ . 1 . 2 .]" 7
542 1 97 GLU HG2 1 98 MET H 4.000 . 5.000 4.746 4.466 5.098 0.098 8 0 "[ . 1 . 2 .]" 7
543 1 97 GLU HA 1 98 MET H 4.000 . 5.000 3.526 3.504 3.583 . 0 0 "[ . 1 . 2 .]" 7
544 1 97 GLU HA 1 100 ARG H 4.000 . 5.000 3.445 3.191 3.708 . 0 0 "[ . 1 . 2 .]" 7
545 1 98 MET H 1 98 MET HG3 3.000 . 3.500 2.973 1.706 3.093 0.094 25 0 "[ . 1 . 2 .]" 7
546 1 98 MET H 1 98 MET HB2 3.000 . 3.500 3.558 3.534 3.577 0.077 20 0 "[ . 1 . 2 .]" 7
547 1 98 MET H 1 98 MET HB3 2.500 . 2.900 2.324 2.273 3.037 0.137 25 0 "[ . 1 . 2 .]" 7
548 1 98 MET H 1 99 TYR H 3.000 . 3.500 2.627 2.552 2.696 . 0 0 "[ . 1 . 2 .]" 7
549 1 98 MET HA 1 99 TYR H 4.000 . 5.000 3.545 3.516 3.585 . 0 0 "[ . 1 . 2 .]" 7
550 1 98 MET H 1 100 ARG H 4.000 . 5.000 4.200 4.060 4.385 . 0 0 "[ . 1 . 2 .]" 7
551 1 98 MET HA 1 101 ARG H 4.000 . 5.000 3.262 2.938 3.434 . 0 0 "[ . 1 . 2 .]" 7
552 1 98 MET HA 1 102 SER H 4.000 . 6.000 4.466 3.720 5.011 . 0 0 "[ . 1 . 2 .]" 7
553 1 99 TYR H 1 99 TYR HB2 3.000 . 3.500 2.465 2.327 2.577 . 0 0 "[ . 1 . 2 .]" 7
554 1 99 TYR H 1 99 TYR HB3 4.000 . 5.000 3.627 3.594 3.652 . 0 0 "[ . 1 . 2 .]" 7
555 1 99 TYR HA 1 100 ARG H 4.000 . 5.000 3.532 3.513 3.554 . 0 0 "[ . 1 . 2 .]" 7
556 1 99 TYR H 1 100 ARG H 4.000 . 5.000 2.614 2.531 2.698 . 0 0 "[ . 1 . 2 .]" 7
557 1 99 TYR H 1 100 ARG HB2 4.000 . 5.000 4.887 4.732 5.036 0.036 11 0 "[ . 1 . 2 .]" 7
558 1 99 TYR HB3 1 102 SER H 4.000 . 6.000 4.934 4.665 5.231 . 0 0 "[ . 1 . 2 .]" 7
559 1 100 ARG H 1 100 ARG QG 3.000 . 4.000 3.945 3.918 4.014 0.014 14 0 "[ . 1 . 2 .]" 7
560 1 100 ARG H 1 100 ARG HB3 3.000 . 3.500 2.619 2.464 2.728 . 0 0 "[ . 1 . 2 .]" 7
561 1 100 ARG H 1 101 ARG H 4.000 . 5.000 2.696 2.611 2.767 . 0 0 "[ . 1 . 2 .]" 7
562 1 100 ARG QG 1 101 ARG H 4.000 . 5.500 3.716 3.398 3.924 . 0 0 "[ . 1 . 2 .]" 7
563 1 100 ARG HA 1 101 ARG H 4.000 . 5.000 3.530 3.504 3.550 . 0 0 "[ . 1 . 2 .]" 7
564 1 100 ARG HA 1 102 SER H 4.000 . 6.000 4.023 3.678 4.269 . 0 0 "[ . 1 . 2 .]" 7
565 1 101 ARG H 1 101 ARG HD2 4.000 . 5.000 4.254 3.833 4.665 . 0 0 "[ . 1 . 2 .]" 7
566 1 101 ARG H 1 101 ARG HG2 3.000 . 3.500 3.415 3.250 3.537 0.037 9 0 "[ . 1 . 2 .]" 7
567 1 101 ARG H 1 101 ARG HG3 2.500 . 2.900 2.153 1.982 2.279 . 0 0 "[ . 1 . 2 .]" 7
568 1 101 ARG H 1 102 SER H 4.000 . 5.000 2.559 2.409 2.744 . 0 0 "[ . 1 . 2 .]" 7
569 1 101 ARG HB2 1 102 SER H 3.000 . 3.500 3.016 2.788 3.411 . 0 0 "[ . 1 . 2 .]" 7
570 1 101 ARG HA 1 102 SER H 4.000 . 5.000 3.465 3.367 3.515 . 0 0 "[ . 1 . 2 .]" 7
571 1 102 SER H 1 102 SER QB 2.500 . 3.400 2.435 2.209 2.913 . 0 0 "[ . 1 . 2 .]" 7
572 1 102 SER H 1 103 ILE H 3.000 . 3.500 2.743 2.516 3.066 . 0 0 "[ . 1 . 2 .]" 7
573 1 102 SER H 1 103 ILE HG12 3.000 . 3.500 3.577 3.494 3.667 0.167 13 0 "[ . 1 . 2 .]" 7
574 1 103 ILE H 1 103 ILE MG 3.000 . 4.000 3.802 3.730 3.862 . 0 0 "[ . 1 . 2 .]" 7
575 1 103 ILE H 1 103 ILE HG12 3.000 . 3.500 2.725 2.439 3.160 . 0 0 "[ . 1 . 2 .]" 7
576 1 101 ARG H 1 103 ILE H 4.000 . 6.000 4.333 4.076 4.821 . 0 0 "[ . 1 . 2 .]" 7
577 1 103 ILE H 1 103 ILE HB 2.500 . 2.900 2.604 2.387 2.762 . 0 0 "[ . 1 . 2 .]" 7
578 1 100 ARG HA 1 103 ILE H 4.000 . 6.000 4.168 3.715 4.462 . 0 0 "[ . 1 . 2 .]" 7
579 1 104 PRO HB3 1 105 ARG H 4.000 . 5.000 4.467 3.170 4.697 . 0 0 "[ . 1 . 2 .]" 7
580 1 104 PRO HB2 1 105 ARG H 4.000 . 5.000 4.092 2.491 4.388 . 0 0 "[ . 1 . 2 .]" 7
581 1 105 ARG H 1 105 ARG HB3 4.000 . 5.000 3.949 3.627 4.109 . 0 0 "[ . 1 . 2 .]" 7
582 1 105 ARG H 1 105 ARG HB2 3.000 . 3.500 3.138 2.394 3.471 . 0 0 "[ . 1 . 2 .]" 7
583 1 105 ARG HA 1 107 VAL H 3.000 . 3.500 3.310 2.932 3.635 0.135 22 0 "[ . 1 . 2 .]" 7
584 1 106 GLU HB2 1 107 VAL H 4.000 . 6.000 3.570 2.778 4.241 . 0 0 "[ . 1 . 2 .]" 7
585 1 106 GLU HA 1 107 VAL H 3.000 . 3.500 3.351 3.131 3.517 0.017 7 0 "[ . 1 . 2 .]" 7
586 1 106 GLU HB3 1 107 VAL H 4.000 . 5.000 3.876 2.827 4.368 . 0 0 "[ . 1 . 2 .]" 7
587 1 107 VAL H 1 107 VAL MG1 4.000 . 5.500 2.866 1.903 3.860 . 0 0 "[ . 1 . 2 .]" 7
588 2 8 ALA HA 2 11 ARG H 4.000 . 6.000 3.097 2.919 3.260 . 0 0 "[ . 1 . 2 .]" 7
589 2 10 LYS QG 2 11 ARG H 4.000 . 6.500 4.395 4.324 4.486 . 0 0 "[ . 1 . 2 .]" 7
590 2 10 LYS HA 2 13 LEU H 4.000 . 5.000 3.281 3.191 3.391 . 0 0 "[ . 1 . 2 .]" 7
591 2 11 ARG H 2 11 ARG QG 4.000 . 5.500 2.888 2.024 4.061 . 0 0 "[ . 1 . 2 .]" 7
592 2 11 ARG H 2 11 ARG QB 2.500 . 3.400 2.280 2.061 2.505 . 0 0 "[ . 1 . 2 .]" 7
593 2 11 ARG H 2 11 ARG QD 4.000 . 6.500 3.596 2.563 4.394 . 0 0 "[ . 1 . 2 .]" 7
594 2 12 LYS H 2 12 LYS QB 3.000 . 4.000 2.340 2.115 2.509 . 0 0 "[ . 1 . 2 .]" 7
595 2 12 LYS QB 2 13 LEU H 3.000 . 4.000 2.617 2.541 2.715 . 0 0 "[ . 1 . 2 .]" 7
596 2 12 LYS HG2 2 13 LEU H 4.000 . 5.000 4.778 4.116 5.014 0.014 19 0 "[ . 1 . 2 .]" 7
597 2 12 LYS H 2 13 LEU QD 4.000 . 5.500 4.840 4.743 5.005 . 0 0 "[ . 1 . 2 .]" 7
598 2 12 LYS HA 2 14 LEU H 4.000 . 6.000 4.170 3.999 4.366 . 0 0 "[ . 1 . 2 .]" 7
599 2 13 LEU H 2 13 LEU HG 2.500 . 2.900 2.880 2.750 2.943 0.043 10 0 "[ . 1 . 2 .]" 7
600 2 13 LEU H 2 13 LEU QD 4.000 . 5.500 3.307 3.242 3.376 . 0 0 "[ . 1 . 2 .]" 7
601 2 13 LEU H 2 13 LEU HB2 3.000 . 3.500 2.127 2.109 2.163 . 0 0 "[ . 1 . 2 .]" 7
602 2 13 LEU H 2 14 LEU H 3.000 . 3.500 2.606 2.575 2.653 . 0 0 "[ . 1 . 2 .]" 7
603 2 13 LEU HA 2 14 LEU H 4.000 . 5.000 3.538 3.520 3.555 . 0 0 "[ . 1 . 2 .]" 7
604 2 13 LEU QD 2 49 ALA H 4.000 . 6.500 4.438 4.183 4.718 . 0 0 "[ . 1 . 2 .]" 7
605 2 14 LEU H 2 14 LEU MD2 3.000 . 4.000 2.416 2.346 2.594 . 0 0 "[ . 1 . 2 .]" 7
606 2 14 LEU H 2 14 LEU HG 2.500 . 2.900 2.430 2.360 2.635 . 0 0 "[ . 1 . 2 .]" 7
607 2 14 LEU H 2 14 LEU HB3 3.000 . 3.500 3.585 3.577 3.597 0.097 10 0 "[ . 1 . 2 .]" 7
608 2 14 LEU H 2 15 ASP HB2 4.000 . 6.000 4.598 4.516 4.670 . 0 0 "[ . 1 . 2 .]" 7
609 2 14 LEU H 2 15 ASP H 3.000 . 3.500 2.502 2.444 2.561 . 0 0 "[ . 1 . 2 .]" 7
610 2 14 LEU HA 2 16 GLU H 4.000 . 5.000 4.195 4.115 4.282 . 0 0 "[ . 1 . 2 .]" 7
611 2 14 LEU H 2 16 GLU H 4.000 . 5.000 4.101 3.809 4.218 . 0 0 "[ . 1 . 2 .]" 7
612 2 14 LEU HA 2 17 LEU H 4.000 . 5.000 3.033 2.911 3.142 . 0 0 "[ . 1 . 2 .]" 7
613 2 14 LEU MD1 2 55 GLN HE22 4.000 . 5.500 3.911 2.651 4.934 . 0 0 "[ . 1 . 2 .]" 7
614 2 14 LEU MD1 2 55 GLN HE21 4.000 . 5.500 3.773 1.887 5.364 . 0 0 "[ . 1 . 2 .]" 7
615 2 15 ASP H 2 15 ASP HB2 2.500 . 2.900 2.437 2.404 2.476 . 0 0 "[ . 1 . 2 .]" 7
616 2 15 ASP HB3 2 16 GLU H 3.000 . 3.500 3.539 3.507 3.559 0.059 12 0 "[ . 1 . 2 .]" 7
617 2 15 ASP HB2 2 16 GLU H 3.000 . 3.500 2.577 2.518 2.637 . 0 0 "[ . 1 . 2 .]" 7
618 2 15 ASP HA 2 17 LEU H 4.000 . 6.000 4.331 4.270 4.439 . 0 0 "[ . 1 . 2 .]" 7
619 2 16 GLU H 2 16 GLU QB 2.500 . 3.400 2.363 2.225 2.421 . 0 0 "[ . 1 . 2 .]" 7
620 2 16 GLU H 2 16 GLU QG 3.000 . 4.000 2.406 2.180 4.021 0.021 10 0 "[ . 1 . 2 .]" 7
621 2 16 GLU H 2 17 LEU HG 4.000 . 5.000 4.392 4.307 4.543 . 0 0 "[ . 1 . 2 .]" 7
622 2 16 GLU H 2 17 LEU H 3.000 . 3.500 2.567 2.528 2.605 . 0 0 "[ . 1 . 2 .]" 7
623 2 16 GLU QB 2 17 LEU H 3.000 . 4.000 2.594 2.506 2.680 . 0 0 "[ . 1 . 2 .]" 7
624 2 16 GLU H 2 18 ARG H 4.000 . 5.000 3.969 3.812 4.171 . 0 0 "[ . 1 . 2 .]" 7
625 2 16 GLU H 2 20 ILE MD 4.000 . 5.500 5.132 4.902 5.514 0.014 10 0 "[ . 1 . 2 .]" 7
626 2 17 LEU H 2 17 LEU HB2 3.000 . 3.500 2.426 2.361 2.466 . 0 0 "[ . 1 . 2 .]" 7
627 2 17 LEU H 2 17 LEU HB3 4.000 . 5.000 3.587 3.574 3.598 . 0 0 "[ . 1 . 2 .]" 7
628 2 17 LEU H 2 17 LEU HG 3.000 . 3.500 2.266 2.164 2.400 . 0 0 "[ . 1 . 2 .]" 7
629 2 17 LEU H 2 17 LEU MD1 4.000 . 5.500 3.384 3.291 3.457 . 0 0 "[ . 1 . 2 .]" 7
630 2 17 LEU H 2 18 ARG H 3.000 . 3.500 2.612 2.516 2.720 . 0 0 "[ . 1 . 2 .]" 7
631 2 17 LEU HB3 2 18 ARG H 4.000 . 5.000 3.649 3.551 3.717 . 0 0 "[ . 1 . 2 .]" 7
632 2 17 LEU MD1 2 18 ARG H 4.000 . 5.500 4.462 4.333 4.617 . 0 0 "[ . 1 . 2 .]" 7
633 2 17 LEU H 2 20 ILE MD 4.000 . 5.500 3.860 3.515 4.237 . 0 0 "[ . 1 . 2 .]" 7
634 2 17 LEU MD1 2 46 ALA H 4.000 . 5.500 4.091 3.833 4.363 . 0 0 "[ . 1 . 2 .]" 7
635 2 18 ARG H 2 18 ARG QB 2.500 . 3.400 2.181 2.012 2.475 . 0 0 "[ . 1 . 2 .]" 7
636 2 18 ARG H 2 18 ARG QD 4.000 . 5.500 4.229 3.713 4.537 . 0 0 "[ . 1 . 2 .]" 7
637 2 18 ARG H 2 18 ARG QG 3.000 . 4.000 3.500 1.966 3.946 . 0 0 "[ . 1 . 2 .]" 7
638 2 18 ARG H 2 19 SER H 3.000 . 3.500 2.689 2.606 2.742 . 0 0 "[ . 1 . 2 .]" 7
639 2 18 ARG QB 2 19 SER H 3.000 . 4.000 2.642 2.380 3.220 . 0 0 "[ . 1 . 2 .]" 7
640 2 18 ARG QG 2 19 SER H 4.000 . 6.500 3.245 1.910 4.221 . 0 0 "[ . 1 . 2 .]" 7
641 2 18 ARG HA 2 22 ARG H 4.000 . 5.000 3.835 3.498 4.105 . 0 0 "[ . 1 . 2 .]" 7
642 2 19 SER H 2 19 SER QB 2.500 . 3.400 2.339 2.125 2.576 . 0 0 "[ . 1 . 2 .]" 7
643 2 19 SER HA 2 20 ILE H 4.000 . 5.000 3.565 3.555 3.578 . 0 0 "[ . 1 . 2 .]" 7
644 2 19 SER H 2 20 ILE H 3.000 . 3.500 2.569 2.463 2.669 . 0 0 "[ . 1 . 2 .]" 7
645 2 19 SER QB 2 20 ILE H 3.000 . 4.000 2.515 2.381 3.309 . 0 0 "[ . 1 . 2 .]" 7
646 2 19 SER HA 2 21 TYR H 4.000 . 6.000 4.706 4.534 4.867 . 0 0 "[ . 1 . 2 .]" 7
647 2 19 SER HA 2 22 ARG H 4.000 . 5.000 3.560 3.349 3.757 . 0 0 "[ . 1 . 2 .]" 7
648 2 20 ILE H 2 20 ILE MD 3.000 . 4.000 3.423 3.103 3.555 . 0 0 "[ . 1 . 2 .]" 7
649 2 20 ILE H 2 20 ILE HG12 3.000 . 3.500 3.502 3.460 3.538 0.038 11 0 "[ . 1 . 2 .]" 7
650 2 20 ILE H 2 21 TYR H 3.000 . 3.500 2.722 2.675 2.777 . 0 0 "[ . 1 . 2 .]" 7
651 2 20 ILE MG 2 21 TYR H 4.000 . 5.500 3.235 3.146 3.385 . 0 0 "[ . 1 . 2 .]" 7
652 2 20 ILE HB 2 21 TYR H 3.000 . 3.500 2.387 2.279 2.461 . 0 0 "[ . 1 . 2 .]" 7
653 2 20 ILE HA 2 21 TYR H 4.000 . 5.000 3.563 3.544 3.574 . 0 0 "[ . 1 . 2 .]" 7
654 2 20 ILE H 2 22 ARG H 4.000 . 6.000 4.038 3.972 4.124 . 0 0 "[ . 1 . 2 .]" 7
655 2 20 ILE H 2 42 PHE QD 4.000 . 5.000 4.909 4.631 5.054 0.054 9 0 "[ . 1 . 2 .]" 7
656 2 20 ILE MD 2 42 PHE H 4.000 . 6.500 4.045 3.711 4.344 . 0 0 "[ . 1 . 2 .]" 7
657 2 20 ILE MG 2 42 PHE H 3.000 . 4.000 3.066 2.644 3.302 . 0 0 "[ . 1 . 2 .]" 7
658 2 21 TYR H 2 21 TYR QD 4.000 . 5.000 4.164 4.128 4.186 . 0 0 "[ . 1 . 2 .]" 7
659 2 21 TYR H 2 21 TYR HB2 3.000 . 3.500 2.405 2.215 2.555 . 0 0 "[ . 1 . 2 .]" 7
660 2 21 TYR H 2 21 TYR HB3 3.000 . 3.500 2.596 2.443 2.818 . 0 0 "[ . 1 . 2 .]" 7
661 2 21 TYR H 2 22 ARG H 3.000 . 3.500 2.691 2.629 2.777 . 0 0 "[ . 1 . 2 .]" 7
662 2 21 TYR HD1 2 22 ARG H 4.000 . 5.000 4.446 3.864 5.086 0.086 10 0 "[ . 1 . 2 .]" 7
663 2 21 TYR HB2 2 22 ARG H 3.000 . 3.500 3.621 3.449 3.714 0.214 16 0 "[ . 1 . 2 .]" 7
664 2 21 TYR HB3 2 22 ARG H 3.000 . 3.500 2.330 2.276 2.394 . 0 0 "[ . 1 . 2 .]" 7
665 2 21 TYR HA 2 24 ILE H 3.000 . 3.500 3.297 3.216 3.409 . 0 0 "[ . 1 . 2 .]" 7
666 2 21 TYR H 2 42 PHE QD 4.000 . 5.000 3.181 2.857 3.347 . 0 0 "[ . 1 . 2 .]" 7
667 2 21 TYR H 2 42 PHE QE 4.000 . 5.000 3.728 3.300 4.085 . 0 0 "[ . 1 . 2 .]" 7
668 2 21 TYR QE 2 60 HIS H 4.000 . 6.000 3.999 3.484 4.675 . 0 0 "[ . 1 . 2 .]" 7
669 2 21 TYR H 2 63 LEU MD2 4.000 . 5.500 5.276 4.978 5.534 0.034 1 0 "[ . 1 . 2 .]" 7
670 2 22 ARG H 2 22 ARG HB2 2.500 . 2.900 2.688 2.552 2.748 . 0 0 "[ . 1 . 2 .]" 7
671 2 22 ARG H 2 22 ARG HG2 4.000 . 5.000 4.370 4.289 4.488 . 0 0 "[ . 1 . 2 .]" 7
672 2 22 ARG H 2 22 ARG HB3 2.500 . 2.900 2.323 2.260 2.430 . 0 0 "[ . 1 . 2 .]" 7
673 2 22 ARG H 2 23 THR H 3.000 . 3.500 2.764 2.713 2.811 . 0 0 "[ . 1 . 2 .]" 7
674 2 22 ARG QD 2 23 THR H 4.000 . 5.500 4.961 4.880 5.020 . 0 0 "[ . 1 . 2 .]" 7
675 2 22 ARG HB3 2 23 THR H 3.000 . 3.500 2.746 2.666 2.808 . 0 0 "[ . 1 . 2 .]" 7
676 2 22 ARG HB2 2 23 THR H 4.000 . 5.000 4.036 3.977 4.077 . 0 0 "[ . 1 . 2 .]" 7
677 2 22 ARG HA 2 23 THR H 3.000 . 3.500 3.510 3.494 3.522 0.022 16 0 "[ . 1 . 2 .]" 7
678 2 22 ARG HB3 2 24 ILE H 4.000 . 5.000 4.966 4.907 5.013 0.013 8 0 "[ . 1 . 2 .]" 7
679 2 22 ARG HA 2 26 LEU H 4.000 . 5.000 4.229 4.028 4.416 . 0 0 "[ . 1 . 2 .]" 7
680 2 23 THR H 2 23 THR MG 3.000 . 4.000 3.735 3.571 3.766 . 0 0 "[ . 1 . 2 .]" 7
681 2 23 THR H 2 23 THR HB 2.500 . 2.900 2.506 2.159 2.653 . 0 0 "[ . 1 . 2 .]" 7
682 2 23 THR H 2 24 ILE H 3.000 . 3.500 2.506 2.466 2.584 . 0 0 "[ . 1 . 2 .]" 7
683 2 23 THR MG 2 24 ILE H 3.000 . 4.000 3.597 3.069 3.834 . 0 0 "[ . 1 . 2 .]" 7
684 2 23 THR HA 2 24 ILE H 4.000 . 5.000 3.496 3.477 3.513 . 0 0 "[ . 1 . 2 .]" 7
685 2 23 THR HB 2 24 ILE H 3.000 . 3.500 2.724 2.649 3.020 . 0 0 "[ . 1 . 2 .]" 7
686 2 23 THR H 2 24 ILE HG13 4.000 . 5.000 5.178 5.144 5.203 0.203 20 0 "[ . 1 . 2 .]" 7
687 2 23 THR H 2 24 ILE HG12 4.000 . 5.000 3.530 3.479 3.694 . 0 0 "[ . 1 . 2 .]" 7
688 2 23 THR HA 2 26 LEU H 3.000 . 3.500 3.424 3.295 3.522 0.022 20 0 "[ . 1 . 2 .]" 7
689 2 23 THR MG 2 26 LEU H 4.000 . 6.500 4.498 4.348 4.633 . 0 0 "[ . 1 . 2 .]" 7
690 2 23 THR MG 2 27 GLU H 4.000 . 5.500 3.554 3.158 3.776 . 0 0 "[ . 1 . 2 .]" 7
691 2 23 THR HA 2 27 GLU H 4.000 . 5.000 3.810 3.548 4.033 . 0 0 "[ . 1 . 2 .]" 7
692 2 24 ILE H 2 24 ILE HG13 3.000 . 3.500 3.275 3.180 3.309 . 0 0 "[ . 1 . 2 .]" 7
693 2 24 ILE H 2 24 ILE HB 3.000 . 3.500 2.717 2.673 2.802 . 0 0 "[ . 1 . 2 .]" 7
694 2 24 ILE H 2 24 ILE HG12 3.000 . 3.500 1.677 1.653 1.697 0.147 6 0 "[ . 1 . 2 .]" 7
695 2 24 ILE H 2 24 ILE MG 3.000 . 4.000 3.716 3.700 3.732 . 0 0 "[ . 1 . 2 .]" 7
696 2 24 ILE H 2 25 VAL H 3.000 . 3.500 2.790 2.719 2.885 . 0 0 "[ . 1 . 2 .]" 7
697 2 24 ILE HG12 2 25 VAL H 3.000 . 3.500 3.639 3.592 3.720 0.220 2 0 "[ . 1 . 2 .]" 7
698 2 24 ILE HB 2 25 VAL H 3.000 . 3.500 2.075 2.031 2.161 . 0 0 "[ . 1 . 2 .]" 7
699 2 24 ILE MG 2 28 TYR H 4.000 . 6.500 4.041 3.704 4.302 . 0 0 "[ . 1 . 2 .]" 7
700 2 25 VAL H 2 25 VAL MG2 2.500 . 3.400 2.092 1.854 2.263 . 0 0 "[ . 1 . 2 .]" 7
701 2 25 VAL H 2 25 VAL HB 2.500 . 2.900 2.512 2.432 2.600 . 0 0 "[ . 1 . 2 .]" 7
702 2 25 VAL H 2 25 VAL MG1 3.000 . 4.000 3.745 3.729 3.758 . 0 0 "[ . 1 . 2 .]" 7
703 2 25 VAL HA 2 26 LEU H 4.000 . 5.000 3.478 3.463 3.496 . 0 0 "[ . 1 . 2 .]" 7
704 2 25 VAL MG1 2 26 LEU H 3.000 . 4.000 3.533 3.387 3.686 . 0 0 "[ . 1 . 2 .]" 7
705 2 25 VAL MG2 2 26 LEU H 3.000 . 4.000 3.838 3.750 3.918 . 0 0 "[ . 1 . 2 .]" 7
706 2 25 VAL H 2 63 LEU MD2 4.000 . 5.500 4.184 3.890 4.441 . 0 0 "[ . 1 . 2 .]" 7
707 2 26 LEU HA 2 27 GLU H 4.000 . 5.000 3.553 3.534 3.572 . 0 0 "[ . 1 . 2 .]" 7
708 2 26 LEU H 2 28 TYR H 3.000 . 3.500 3.631 3.603 3.657 0.157 9 0 "[ . 1 . 2 .]" 7
709 2 26 LEU H 2 67 PHE HZ 4.000 . 6.000 4.665 3.523 5.504 . 0 0 "[ . 1 . 2 .]" 7
710 2 27 GLU H 2 27 GLU HB2 2.500 . 2.900 2.414 2.279 2.458 . 0 0 "[ . 1 . 2 .]" 7
711 2 27 GLU H 2 27 GLU HG3 3.000 . 3.500 2.709 2.471 3.659 0.159 14 0 "[ . 1 . 2 .]" 7
712 2 27 GLU H 2 27 GLU HB3 3.000 . 3.500 3.618 3.549 3.639 0.139 24 0 "[ . 1 . 2 .]" 7
713 2 27 GLU HB2 2 28 TYR H 4.000 . 5.000 3.588 3.498 3.745 . 0 0 "[ . 1 . 2 .]" 7
714 2 27 GLU HA 2 28 TYR H 4.000 . 5.000 3.314 3.270 3.368 . 0 0 "[ . 1 . 2 .]" 7
715 2 27 GLU H 2 28 TYR HB2 4.000 . 5.000 4.396 4.257 4.685 . 0 0 "[ . 1 . 2 .]" 7
716 2 27 GLU H 2 35 VAL MG1 4.000 . 6.500 4.135 3.955 4.264 . 0 0 "[ . 1 . 2 .]" 7
717 2 28 TYR H 2 28 TYR QD 4.000 . 5.000 4.123 4.000 4.211 . 0 0 "[ . 1 . 2 .]" 7
718 2 28 TYR H 2 28 TYR HB3 3.000 . 3.500 2.725 2.582 2.862 . 0 0 "[ . 1 . 2 .]" 7
719 2 28 TYR H 2 28 TYR HB2 2.500 . 2.900 2.452 2.326 2.582 . 0 0 "[ . 1 . 2 .]" 7
720 2 28 TYR H 2 29 PHE H 4.000 . 5.000 2.809 2.709 2.900 . 0 0 "[ . 1 . 2 .]" 7
721 2 28 TYR QD 2 29 PHE H 4.000 . 5.000 4.012 3.919 4.146 . 0 0 "[ . 1 . 2 .]" 7
722 2 28 TYR HB3 2 29 PHE H 3.000 . 3.500 2.566 2.467 2.673 . 0 0 "[ . 1 . 2 .]" 7
723 2 28 TYR HA 2 30 ASN H 4.000 . 5.000 3.745 3.607 3.899 . 0 0 "[ . 1 . 2 .]" 7
724 2 28 TYR H 2 35 VAL MG2 4.000 . 6.500 4.084 3.863 4.316 . 0 0 "[ . 1 . 2 .]" 7
725 2 28 TYR H 2 35 VAL MG1 4.000 . 5.500 3.815 3.533 4.065 . 0 0 "[ . 1 . 2 .]" 7
726 2 29 PHE H 2 29 PHE HB2 3.000 . 3.500 2.344 2.276 2.397 . 0 0 "[ . 1 . 2 .]" 7
727 2 29 PHE H 2 29 PHE QD 3.000 . 3.500 2.795 2.430 3.167 . 0 0 "[ . 1 . 2 .]" 7
728 2 29 PHE H 2 30 ASN H 3.000 . 3.500 2.627 2.503 2.908 . 0 0 "[ . 1 . 2 .]" 7
729 2 29 PHE HB3 2 30 ASN H 4.000 . 5.000 4.346 4.246 4.412 . 0 0 "[ . 1 . 2 .]" 7
730 2 29 PHE HA 2 30 ASN H 3.000 . 3.500 3.038 2.828 3.137 . 0 0 "[ . 1 . 2 .]" 7
731 2 30 ASN HB3 2 30 ASN HD22 4.000 . 5.000 3.734 3.499 4.108 . 0 0 "[ . 1 . 2 .]" 7
732 2 30 ASN HB2 2 30 ASN HD22 4.000 . 5.000 3.971 3.538 4.123 . 0 0 "[ . 1 . 2 .]" 7
733 2 30 ASN H 2 30 ASN HB2 3.000 . 3.500 3.531 3.504 3.569 0.069 3 0 "[ . 1 . 2 .]" 7
734 2 30 ASN H 2 30 ASN HB3 3.000 . 3.500 2.271 2.211 2.365 . 0 0 "[ . 1 . 2 .]" 7
735 2 30 ASN HD21 2 33 ALA MB 4.000 . 6.500 3.207 1.712 4.428 0.088 24 0 "[ . 1 . 2 .]" 7
736 2 30 ASN HD22 2 33 ALA MB 4.000 . 6.500 3.252 2.354 4.178 . 0 0 "[ . 1 . 2 .]" 7
737 2 32 ASP H 2 32 ASP HB2 4.000 . 6.000 2.750 2.507 2.996 . 0 0 "[ . 1 . 2 .]" 7
738 2 33 ALA H 2 33 ALA MB 3.000 . 4.000 2.222 2.049 2.743 . 0 0 "[ . 1 . 2 .]" 7
739 2 32 ASP HB2 2 33 ALA H 4.000 . 6.000 3.562 1.766 4.552 0.034 2 0 "[ . 1 . 2 .]" 7
740 2 32 ASP HB3 2 33 ALA H 4.000 . 6.000 4.102 2.342 4.447 . 0 0 "[ . 1 . 2 .]" 7
741 2 34 LYS HG3 2 35 VAL H 4.000 . 5.000 4.632 3.801 5.093 0.093 7 0 "[ . 1 . 2 .]" 7
742 2 35 VAL H 2 35 VAL HB 3.000 . 3.500 2.796 2.713 2.926 . 0 0 "[ . 1 . 2 .]" 7
743 2 35 VAL H 2 35 VAL MG1 4.000 . 5.500 3.698 3.652 3.749 . 0 0 "[ . 1 . 2 .]" 7
744 2 35 VAL H 2 35 VAL MG2 3.000 . 4.000 1.821 1.746 1.950 0.054 9 0 "[ . 1 . 2 .]" 7
745 2 35 VAL MG1 2 38 ARG H 4.000 . 6.500 4.240 4.064 4.441 . 0 0 "[ . 1 . 2 .]" 7
746 2 35 VAL HA 2 38 ARG H 3.000 . 3.500 3.226 3.111 3.324 . 0 0 "[ . 1 . 2 .]" 7
747 2 35 VAL HA 2 39 ILE H 4.000 . 5.000 3.682 3.591 3.814 . 0 0 "[ . 1 . 2 .]" 7
748 2 36 ASN HA 2 39 ILE H 4.000 . 5.000 3.349 3.254 3.447 . 0 0 "[ . 1 . 2 .]" 7
749 2 37 GLU H 2 37 GLU QG 4.000 . 5.500 2.381 2.091 3.416 . 0 0 "[ . 1 . 2 .]" 7
750 2 37 GLU QG 2 38 ARG H 4.000 . 5.500 4.074 3.903 4.534 . 0 0 "[ . 1 . 2 .]" 7
751 2 37 GLU HA 2 38 ARG H 3.000 . 3.500 3.497 3.476 3.508 0.008 19 0 "[ . 1 . 2 .]" 7
752 2 37 GLU H 2 38 ARG H 3.000 . 3.500 2.496 2.475 2.521 . 0 0 "[ . 1 . 2 .]" 7
753 2 38 ARG H 2 38 ARG HD2 4.000 . 6.000 4.972 4.759 5.123 . 0 0 "[ . 1 . 2 .]" 7
754 2 38 ARG H 2 38 ARG HD3 4.000 . 6.000 4.454 4.123 4.995 . 0 0 "[ . 1 . 2 .]" 7
755 2 38 ARG H 2 38 ARG HB2 2.500 . 2.900 2.202 2.088 2.329 . 0 0 "[ . 1 . 2 .]" 7
756 2 38 ARG HA 2 39 ILE H 4.000 . 5.000 3.551 3.530 3.575 . 0 0 "[ . 1 . 2 .]" 7
757 2 38 ARG HB2 2 39 ILE H 3.000 . 3.500 2.529 2.437 2.679 . 0 0 "[ . 1 . 2 .]" 7
758 2 38 ARG H 2 39 ILE H 3.000 . 3.500 2.599 2.569 2.649 . 0 0 "[ . 1 . 2 .]" 7
759 2 38 ARG H 2 39 ILE HA 4.000 . 6.000 5.235 5.206 5.273 . 0 0 "[ . 1 . 2 .]" 7
760 2 38 ARG H 2 40 ASP H 4.000 . 5.000 3.805 3.694 3.965 . 0 0 "[ . 1 . 2 .]" 7
761 2 38 ARG H 2 41 GLU H 4.000 . 5.000 4.822 4.690 4.911 . 0 0 "[ . 1 . 2 .]" 7
762 2 38 ARG HA 2 42 PHE H 4.000 . 5.000 4.509 4.325 4.640 . 0 0 "[ . 1 . 2 .]" 7
763 2 39 ILE H 2 39 ILE HB 2.500 . 2.900 2.420 2.355 2.466 . 0 0 "[ . 1 . 2 .]" 7
764 2 39 ILE H 2 40 ASP H 3.000 . 3.500 2.565 2.538 2.602 . 0 0 "[ . 1 . 2 .]" 7
765 2 39 ILE H 2 40 ASP HB3 4.000 . 6.000 4.871 4.773 4.931 . 0 0 "[ . 1 . 2 .]" 7
766 2 39 ILE MG 2 40 ASP H 3.000 . 4.000 3.475 3.295 3.585 . 0 0 "[ . 1 . 2 .]" 7
767 2 39 ILE HA 2 40 ASP H 4.000 . 5.000 3.511 3.488 3.531 . 0 0 "[ . 1 . 2 .]" 7
768 2 39 ILE HB 2 40 ASP H 2.500 . 2.900 2.728 2.641 2.827 . 0 0 "[ . 1 . 2 .]" 7
769 2 39 ILE H 2 41 GLU H 4.000 . 5.000 4.324 4.159 4.460 . 0 0 "[ . 1 . 2 .]" 7
770 2 40 ASP H 2 40 ASP HB3 2.500 . 2.900 2.610 2.555 2.674 . 0 0 "[ . 1 . 2 .]" 7
771 2 40 ASP HB3 2 41 GLU H 3.000 . 3.500 2.453 2.346 2.544 . 0 0 "[ . 1 . 2 .]" 7
772 2 40 ASP H 2 41 GLU H 2.500 . 2.900 2.776 2.707 2.831 . 0 0 "[ . 1 . 2 .]" 7
773 2 40 ASP H 2 41 GLU HB2 4.000 . 5.000 4.939 4.768 5.045 0.045 14 0 "[ . 1 . 2 .]" 7
774 2 40 ASP H 2 42 PHE H 4.000 . 5.000 4.070 3.968 4.169 . 0 0 "[ . 1 . 2 .]" 7
775 2 40 ASP HA 2 43 VAL H 4.000 . 5.000 3.440 3.334 3.550 . 0 0 "[ . 1 . 2 .]" 7
776 2 40 ASP HA 2 44 SER H 4.000 . 5.000 3.693 3.275 4.062 . 0 0 "[ . 1 . 2 .]" 7
777 2 41 GLU H 2 41 GLU HB2 2.500 . 2.900 2.313 2.228 2.392 . 0 0 "[ . 1 . 2 .]" 7
778 2 41 GLU H 2 42 PHE H 2.500 . 2.900 2.617 2.539 2.705 . 0 0 "[ . 1 . 2 .]" 7
779 2 41 GLU H 2 42 PHE HB3 4.000 . 5.000 4.874 4.774 5.002 0.002 13 0 "[ . 1 . 2 .]" 7
780 2 41 GLU HB2 2 42 PHE H 3.000 . 3.500 3.616 3.583 3.676 0.176 18 0 "[ . 1 . 2 .]" 7
781 2 41 GLU HA 2 42 PHE H 3.000 . 3.500 3.493 3.480 3.511 0.011 9 0 "[ . 1 . 2 .]" 7
782 2 41 GLU HB2 2 45 LYS H 4.000 . 6.000 5.804 5.621 6.034 0.034 23 0 "[ . 1 . 2 .]" 7
783 2 42 PHE H 2 42 PHE HB2 3.000 . 3.500 2.483 2.421 2.604 . 0 0 "[ . 1 . 2 .]" 7
784 2 42 PHE H 2 42 PHE HB3 3.000 . 3.500 2.576 2.510 2.632 . 0 0 "[ . 1 . 2 .]" 7
785 2 42 PHE H 2 42 PHE QD 4.000 . 5.000 4.172 4.149 4.188 . 0 0 "[ . 1 . 2 .]" 7
786 2 42 PHE H 2 43 VAL H 3.000 . 3.500 2.535 2.413 2.607 . 0 0 "[ . 1 . 2 .]" 7
787 2 42 PHE HB2 2 43 VAL H 3.000 . 3.500 3.586 3.554 3.608 0.108 20 0 "[ . 1 . 2 .]" 7
788 2 42 PHE HA 2 43 VAL H 4.000 . 5.000 3.507 3.495 3.522 . 0 0 "[ . 1 . 2 .]" 7
789 2 42 PHE QD 2 43 VAL H 4.000 . 5.000 3.265 3.115 3.535 . 0 0 "[ . 1 . 2 .]" 7
790 2 42 PHE H 2 44 SER H 3.000 . 3.500 3.754 3.703 3.783 0.283 16 0 "[ . 1 . 2 .]" 7
791 2 42 PHE HA 2 45 LYS H 4.000 . 5.000 3.682 3.513 3.886 . 0 0 "[ . 1 . 2 .]" 7
792 2 42 PHE H 2 45 LYS HB2 4.000 . 6.000 5.215 5.037 5.399 . 0 0 "[ . 1 . 2 .]" 7
793 2 43 VAL H 2 43 VAL MG1 3.000 . 4.000 3.690 3.666 3.712 . 0 0 "[ . 1 . 2 .]" 7
794 2 43 VAL H 2 43 VAL MG2 2.500 . 3.400 2.358 2.257 2.493 . 0 0 "[ . 1 . 2 .]" 7
795 2 43 VAL H 2 43 VAL HB 3.000 . 3.500 2.315 2.259 2.377 . 0 0 "[ . 1 . 2 .]" 7
796 2 43 VAL H 2 44 SER H 3.000 . 3.500 2.629 2.554 2.696 . 0 0 "[ . 1 . 2 .]" 7
797 2 43 VAL MG1 2 44 SER H 3.000 . 4.000 3.303 3.135 3.470 . 0 0 "[ . 1 . 2 .]" 7
798 2 43 VAL HB 2 44 SER H 3.000 . 3.500 2.759 2.697 2.850 . 0 0 "[ . 1 . 2 .]" 7
799 2 43 VAL HA 2 44 SER H 4.000 . 5.000 3.540 3.526 3.555 . 0 0 "[ . 1 . 2 .]" 7
800 2 43 VAL MG2 2 44 SER H 3.000 . 4.000 4.020 3.980 4.057 0.057 5 0 "[ . 1 . 2 .]" 7
801 2 43 VAL HA 2 45 LYS H 4.000 . 6.000 4.866 4.711 4.967 . 0 0 "[ . 1 . 2 .]" 7
802 2 43 VAL HA 2 46 ALA H 4.000 . 5.000 3.915 3.766 4.014 . 0 0 "[ . 1 . 2 .]" 7
803 2 43 VAL HA 2 47 PHE H 4.000 . 6.000 4.154 3.934 4.357 . 0 0 "[ . 1 . 2 .]" 7
804 2 43 VAL MG2 2 95 LEU H 4.000 . 5.500 2.718 2.476 2.973 . 0 0 "[ . 1 . 2 .]" 7
805 2 43 VAL MG1 2 95 LEU H 3.000 . 4.000 3.995 3.866 4.098 0.098 24 0 "[ . 1 . 2 .]" 7
806 2 44 SER H 2 45 LYS H 3.000 . 3.500 2.664 2.562 2.729 . 0 0 "[ . 1 . 2 .]" 7
807 2 44 SER H 2 45 LYS HB2 4.000 . 6.000 4.768 4.687 4.853 . 0 0 "[ . 1 . 2 .]" 7
808 2 44 SER H 2 45 LYS HG3 4.000 . 5.000 4.653 4.502 4.827 . 0 0 "[ . 1 . 2 .]" 7
809 2 44 SER H 2 46 ALA H 4.000 . 6.000 4.083 3.964 4.200 . 0 0 "[ . 1 . 2 .]" 7
810 2 45 LYS H 2 45 LYS QE 4.000 . 6.500 3.848 3.751 4.013 . 0 0 "[ . 1 . 2 .]" 7
811 2 45 LYS H 2 45 LYS HB2 2.500 . 2.900 2.453 2.406 2.504 . 0 0 "[ . 1 . 2 .]" 7
812 2 45 LYS H 2 45 LYS HG2 3.000 . 3.500 3.282 3.055 3.478 . 0 0 "[ . 1 . 2 .]" 7
813 2 45 LYS H 2 45 LYS HG3 2.500 . 2.900 2.428 2.287 2.639 . 0 0 "[ . 1 . 2 .]" 7
814 2 45 LYS HB3 2 46 ALA H 3.000 . 3.500 3.538 3.492 3.588 0.088 6 0 "[ . 1 . 2 .]" 7
815 2 45 LYS HA 2 46 ALA H 4.000 . 5.000 3.556 3.531 3.577 . 0 0 "[ . 1 . 2 .]" 7
816 2 45 LYS HB2 2 46 ALA H 3.000 . 3.500 2.623 2.518 2.731 . 0 0 "[ . 1 . 2 .]" 7
817 2 45 LYS H 2 46 ALA H 3.000 . 3.500 2.736 2.662 2.794 . 0 0 "[ . 1 . 2 .]" 7
818 2 45 LYS HG2 2 46 ALA H 4.000 . 5.000 4.890 4.807 4.966 . 0 0 "[ . 1 . 2 .]" 7
819 2 45 LYS H 2 46 ALA MB 4.000 . 5.500 4.351 4.251 4.462 . 0 0 "[ . 1 . 2 .]" 7
820 2 45 LYS H 2 47 PHE H 4.000 . 6.000 4.138 3.998 4.408 . 0 0 "[ . 1 . 2 .]" 7
821 2 46 ALA H 2 46 ALA MB 2.500 . 3.400 2.142 2.027 2.250 . 0 0 "[ . 1 . 2 .]" 7
822 2 46 ALA MB 2 47 PHE H 3.000 . 4.000 2.568 2.355 2.807 . 0 0 "[ . 1 . 2 .]" 7
823 2 46 ALA HA 2 47 PHE H 4.000 . 5.000 3.527 3.505 3.573 . 0 0 "[ . 1 . 2 .]" 7
824 2 46 ALA HA 2 49 ALA H 4.000 . 5.000 3.786 3.534 4.053 . 0 0 "[ . 1 . 2 .]" 7
825 2 46 ALA HA 2 51 ILE H 4.000 . 6.000 3.850 3.463 4.134 . 0 0 "[ . 1 . 2 .]" 7
826 2 46 ALA MB 2 51 ILE H 4.000 . 5.500 4.176 3.877 4.430 . 0 0 "[ . 1 . 2 .]" 7
827 2 46 ALA H 2 95 LEU MD1 4.000 . 5.500 5.120 4.410 5.584 0.084 11 0 "[ . 1 . 2 .]" 7
828 2 47 PHE H 2 47 PHE QB 3.000 . 4.000 2.209 2.158 2.248 . 0 0 "[ . 1 . 2 .]" 7
829 2 47 PHE H 2 47 PHE QD 4.000 . 5.000 4.119 3.930 4.187 . 0 0 "[ . 1 . 2 .]" 7
830 2 47 PHE QD 2 48 PHE H 4.000 . 5.000 3.386 2.515 3.987 . 0 0 "[ . 1 . 2 .]" 7
831 2 47 PHE QB 2 48 PHE H 3.000 . 4.000 2.540 2.412 2.722 . 0 0 "[ . 1 . 2 .]" 7
832 2 47 PHE H 2 48 PHE H 3.000 . 3.500 2.488 2.399 2.762 . 0 0 "[ . 1 . 2 .]" 7
833 2 47 PHE H 2 48 PHE QB 4.000 . 5.500 4.205 4.108 4.590 . 0 0 "[ . 1 . 2 .]" 7
834 2 47 PHE H 2 49 ALA H 4.000 . 6.000 4.099 3.948 4.284 . 0 0 "[ . 1 . 2 .]" 7
835 2 47 PHE H 2 95 LEU MD1 4.000 . 5.500 3.996 3.563 4.462 . 0 0 "[ . 1 . 2 .]" 7
836 2 48 PHE H 2 48 PHE QD 4.000 . 6.000 3.931 3.214 4.145 . 0 0 "[ . 1 . 2 .]" 7
837 2 48 PHE H 2 48 PHE QB 2.500 . 3.400 2.160 2.097 2.234 . 0 0 "[ . 1 . 2 .]" 7
838 2 48 PHE H 2 49 ALA H 3.000 . 3.500 2.717 2.636 2.779 . 0 0 "[ . 1 . 2 .]" 7
839 2 48 PHE QB 2 49 ALA H 3.000 . 4.000 2.509 2.293 3.389 . 0 0 "[ . 1 . 2 .]" 7
840 2 48 PHE H 2 50 ASP H 4.000 . 5.000 4.190 4.022 4.376 . 0 0 "[ . 1 . 2 .]" 7
841 2 49 ALA H 2 49 ALA MB 2.500 . 3.400 2.127 2.064 2.279 . 0 0 "[ . 1 . 2 .]" 7
842 2 49 ALA H 2 50 ASP HA 4.000 . 6.000 4.924 4.755 5.037 . 0 0 "[ . 1 . 2 .]" 7
843 2 49 ALA H 2 50 ASP H 3.000 . 3.500 2.912 2.755 3.051 . 0 0 "[ . 1 . 2 .]" 7
844 2 49 ALA H 2 51 ILE H 4.000 . 6.000 4.173 4.002 4.470 . 0 0 "[ . 1 . 2 .]" 7
845 2 50 ASP H 2 50 ASP HB2 4.000 . 5.000 2.927 2.849 3.021 . 0 0 "[ . 1 . 2 .]" 7
846 2 50 ASP H 2 50 ASP HB3 4.000 . 5.000 3.487 3.313 3.601 . 0 0 "[ . 1 . 2 .]" 7
847 2 50 ASP H 2 51 ILE HB 4.000 . 6.000 5.301 5.128 5.506 . 0 0 "[ . 1 . 2 .]" 7
848 2 50 ASP H 2 51 ILE H 4.000 . 5.000 3.119 2.970 3.338 . 0 0 "[ . 1 . 2 .]" 7
849 2 50 ASP HA 2 51 ILE H 4.000 . 5.000 2.511 2.405 2.586 . 0 0 "[ . 1 . 2 .]" 7
850 2 51 ILE H 2 51 ILE MD 4.000 . 5.500 3.984 3.891 4.065 . 0 0 "[ . 1 . 2 .]" 7
851 2 51 ILE H 2 51 ILE HG13 3.000 . 3.500 2.537 2.381 2.674 . 0 0 "[ . 1 . 2 .]" 7
852 2 51 ILE H 2 51 ILE HB 3.000 . 3.500 2.515 2.423 2.635 . 0 0 "[ . 1 . 2 .]" 7
853 2 51 ILE H 2 51 ILE MG 3.000 . 4.000 3.764 3.725 3.798 . 0 0 "[ . 1 . 2 .]" 7
854 2 51 ILE H 2 51 ILE HG12 4.000 . 5.000 3.040 2.782 3.204 . 0 0 "[ . 1 . 2 .]" 7
855 2 51 ILE MD 2 52 SER H 4.000 . 5.500 4.438 4.287 4.658 . 0 0 "[ . 1 . 2 .]" 7
856 2 51 ILE HA 2 52 SER H 2.500 . 2.900 2.205 2.169 2.241 . 0 0 "[ . 1 . 2 .]" 7
857 2 51 ILE MG 2 52 SER H 3.000 . 4.000 2.164 1.967 2.626 . 0 0 "[ . 1 . 2 .]" 7
858 2 51 ILE H 2 52 SER H 4.000 . 5.000 4.522 4.479 4.547 . 0 0 "[ . 1 . 2 .]" 7
859 2 51 ILE H 2 52 SER HA 4.000 . 5.000 5.145 5.111 5.173 0.173 25 0 "[ . 1 . 2 .]" 7
860 2 51 ILE MG 2 55 GLN H 4.000 . 5.500 3.573 3.390 3.812 . 0 0 "[ . 1 . 2 .]" 7
861 2 51 ILE MD 2 56 VAL H 4.000 . 5.500 5.353 5.172 5.534 0.034 8 0 "[ . 1 . 2 .]" 7
862 2 52 SER H 2 52 SER HB2 4.000 . 5.000 2.622 2.260 2.911 . 0 0 "[ . 1 . 2 .]" 7
863 2 52 SER HB2 2 53 VAL H 4.000 . 5.000 3.988 3.826 4.214 . 0 0 "[ . 1 . 2 .]" 7
864 2 52 SER HB3 2 53 VAL H 4.000 . 5.000 3.538 2.625 3.856 . 0 0 "[ . 1 . 2 .]" 7
865 2 52 SER HA 2 53 VAL H 2.500 . 2.900 2.324 2.267 2.374 . 0 0 "[ . 1 . 2 .]" 7
866 2 52 SER HA 2 55 GLN H 4.000 . 5.000 4.791 4.668 4.939 . 0 0 "[ . 1 . 2 .]" 7
867 2 52 SER HB3 2 55 GLN H 3.000 . 3.500 3.131 2.800 3.542 0.042 2 0 "[ . 1 . 2 .]" 7
868 2 53 VAL H 2 53 VAL MG2 3.000 . 4.000 2.211 2.026 2.340 . 0 0 "[ . 1 . 2 .]" 7
869 2 53 VAL H 2 53 VAL MG1 4.000 . 5.500 3.744 3.734 3.749 . 0 0 "[ . 1 . 2 .]" 7
870 2 53 VAL HA 2 56 VAL H 4.000 . 5.000 3.566 3.449 3.697 . 0 0 "[ . 1 . 2 .]" 7
871 2 54 SER HA 2 56 VAL H 4.000 . 5.000 4.358 4.247 4.425 . 0 0 "[ . 1 . 2 .]" 7
872 2 55 GLN H 2 55 GLN HB3 3.000 . 3.500 3.581 3.571 3.590 0.090 3 0 "[ . 1 . 2 .]" 7
873 2 55 GLN H 2 55 GLN HB2 2.500 . 2.900 2.459 2.386 2.527 . 0 0 "[ . 1 . 2 .]" 7
874 2 55 GLN HB3 2 56 VAL H 4.000 . 5.000 3.586 3.515 3.675 . 0 0 "[ . 1 . 2 .]" 7
875 2 55 GLN HA 2 56 VAL H 4.000 . 5.000 3.544 3.533 3.560 . 0 0 "[ . 1 . 2 .]" 7
876 2 55 GLN HB2 2 56 VAL H 3.000 . 3.500 2.596 2.528 2.673 . 0 0 "[ . 1 . 2 .]" 7
877 2 55 GLN H 2 57 LEU HB2 4.000 . 5.000 5.047 5.021 5.074 0.074 24 0 "[ . 1 . 2 .]" 7
878 2 55 GLN HA 2 58 GLU H 3.000 . 3.500 3.535 3.390 3.607 0.107 24 0 "[ . 1 . 2 .]" 7
879 2 55 GLN HA 2 59 ILE H 4.000 . 5.000 4.357 4.136 4.584 . 0 0 "[ . 1 . 2 .]" 7
880 2 56 VAL H 2 56 VAL MG1 3.000 . 4.000 3.736 3.719 3.748 . 0 0 "[ . 1 . 2 .]" 7
881 2 56 VAL H 2 56 VAL HB 2.500 . 2.900 2.436 2.359 2.538 . 0 0 "[ . 1 . 2 .]" 7
882 2 56 VAL H 2 56 VAL MG2 2.500 . 3.400 2.272 2.060 2.454 . 0 0 "[ . 1 . 2 .]" 7
883 2 56 VAL H 2 57 LEU HG 4.000 . 5.000 3.934 3.736 4.005 . 0 0 "[ . 1 . 2 .]" 7
884 2 56 VAL H 2 57 LEU HB2 4.000 . 5.000 4.767 4.717 4.806 . 0 0 "[ . 1 . 2 .]" 7
885 2 56 VAL H 2 57 LEU H 3.000 . 3.500 2.565 2.522 2.605 . 0 0 "[ . 1 . 2 .]" 7
886 2 56 VAL HB 2 57 LEU H 3.000 . 3.500 2.701 2.634 2.756 . 0 0 "[ . 1 . 2 .]" 7
887 2 56 VAL MG2 2 57 LEU H 4.000 . 5.500 3.902 3.779 3.954 . 0 0 "[ . 1 . 2 .]" 7
888 2 56 VAL HA 2 57 LEU H 4.000 . 5.000 3.517 3.510 3.531 . 0 0 "[ . 1 . 2 .]" 7
889 2 56 VAL HA 2 58 GLU H 4.000 . 6.000 4.215 4.111 4.346 . 0 0 "[ . 1 . 2 .]" 7
890 2 56 VAL HA 2 59 ILE H 3.000 . 3.500 3.270 3.092 3.453 . 0 0 "[ . 1 . 2 .]" 7
891 2 56 VAL HA 2 60 HIS H 4.000 . 5.000 4.084 3.859 4.313 . 0 0 "[ . 1 . 2 .]" 7
892 2 57 LEU H 2 57 LEU MD2 3.000 . 4.000 2.473 2.367 2.571 . 0 0 "[ . 1 . 2 .]" 7
893 2 57 LEU H 2 57 LEU HB2 3.000 . 3.500 2.550 2.530 2.571 . 0 0 "[ . 1 . 2 .]" 7
894 2 57 LEU H 2 57 LEU HB3 3.000 . 3.500 3.551 3.528 3.564 0.064 8 0 "[ . 1 . 2 .]" 7
895 2 57 LEU H 2 58 GLU H 3.000 . 3.500 2.648 2.579 2.706 . 0 0 "[ . 1 . 2 .]" 7
896 2 57 LEU MD2 2 58 GLU H 3.000 . 4.000 4.221 4.185 4.256 0.256 22 0 "[ . 1 . 2 .]" 7
897 2 57 LEU HB2 2 58 GLU H 3.000 . 3.500 2.496 2.440 2.537 . 0 0 "[ . 1 . 2 .]" 7
898 2 57 LEU HB3 2 58 GLU H 3.000 . 3.500 3.644 3.614 3.673 0.173 23 0 "[ . 1 . 2 .]" 7
899 2 57 LEU H 2 59 ILE H 4.000 . 5.000 4.144 3.978 4.307 . 0 0 "[ . 1 . 2 .]" 7
900 2 57 LEU HA 2 60 HIS H 4.000 . 5.000 3.462 3.298 3.679 . 0 0 "[ . 1 . 2 .]" 7
901 2 57 LEU H 2 60 HIS H 4.000 . 5.000 4.583 4.408 4.684 . 0 0 "[ . 1 . 2 .]" 7
902 2 58 GLU H 2 58 GLU HG3 3.000 . 3.500 2.520 2.192 3.612 0.112 2 0 "[ . 1 . 2 .]" 7
903 2 58 GLU H 2 59 ILE H 3.000 . 3.500 2.576 2.502 2.684 . 0 0 "[ . 1 . 2 .]" 7
904 2 58 GLU HA 2 59 ILE H 4.000 . 5.000 3.550 3.522 3.573 . 0 0 "[ . 1 . 2 .]" 7
905 2 58 GLU HG3 2 59 ILE H 4.000 . 5.000 4.390 4.187 4.921 . 0 0 "[ . 1 . 2 .]" 7
906 2 58 GLU HB2 2 59 ILE H 3.000 . 3.500 2.551 2.482 2.656 . 0 0 "[ . 1 . 2 .]" 7
907 2 58 GLU H 2 59 ILE HG12 4.000 . 6.000 5.731 4.171 6.001 0.001 23 0 "[ . 1 . 2 .]" 7
908 2 58 GLU H 2 60 HIS H 3.000 . 3.500 3.741 3.686 3.777 0.277 15 0 "[ . 1 . 2 .]" 7
909 2 58 GLU HA 2 61 VAL H 3.000 . 3.500 3.268 3.178 3.338 . 0 0 "[ . 1 . 2 .]" 7
910 2 58 GLU H 2 61 VAL MG2 4.000 . 6.500 3.996 3.879 4.127 . 0 0 "[ . 1 . 2 .]" 7
911 2 58 GLU HA 2 62 GLU H 4.000 . 5.000 3.897 3.630 4.093 . 0 0 "[ . 1 . 2 .]" 7
912 2 59 ILE H 2 59 ILE HG12 3.000 . 3.500 3.344 2.087 3.514 0.014 13 0 "[ . 1 . 2 .]" 7
913 2 59 ILE H 2 59 ILE MG 3.000 . 4.000 3.752 3.740 3.763 . 0 0 "[ . 1 . 2 .]" 7
914 2 59 ILE H 2 59 ILE HB 2.500 . 2.900 2.500 2.430 2.543 . 0 0 "[ . 1 . 2 .]" 7
915 2 59 ILE HG12 2 60 HIS H 4.000 . 5.000 4.961 4.182 5.022 0.022 21 0 "[ . 1 . 2 .]" 7
916 2 59 ILE H 2 60 HIS H 3.000 . 3.500 2.528 2.466 2.584 . 0 0 "[ . 1 . 2 .]" 7
917 2 59 ILE HB 2 60 HIS H 3.000 . 3.500 2.762 2.692 2.814 . 0 0 "[ . 1 . 2 .]" 7
918 2 59 ILE H 2 60 HIS HB2 4.000 . 6.000 4.934 4.841 5.107 . 0 0 "[ . 1 . 2 .]" 7
919 2 59 ILE H 2 60 HIS HB3 4.000 . 6.000 4.768 4.577 4.965 . 0 0 "[ . 1 . 2 .]" 7
920 2 59 ILE H 2 61 VAL H 4.000 . 6.000 4.269 4.174 4.351 . 0 0 "[ . 1 . 2 .]" 7
921 2 59 ILE MG 2 61 VAL H 4.000 . 5.500 5.244 5.114 5.347 . 0 0 "[ . 1 . 2 .]" 7
922 2 59 ILE HB 2 61 VAL H 4.000 . 6.000 5.257 5.189 5.326 . 0 0 "[ . 1 . 2 .]" 7
923 2 59 ILE HA 2 62 GLU H 4.000 . 5.000 3.502 3.388 3.637 . 0 0 "[ . 1 . 2 .]" 7
924 2 59 ILE MG 2 62 GLU H 4.000 . 6.500 4.711 4.611 4.858 . 0 0 "[ . 1 . 2 .]" 7
925 2 59 ILE HA 2 63 LEU H 4.000 . 5.000 3.796 3.461 3.986 . 0 0 "[ . 1 . 2 .]" 7
926 2 60 HIS H 2 60 HIS HB3 3.000 . 3.500 2.510 2.334 2.630 . 0 0 "[ . 1 . 2 .]" 7
927 2 60 HIS H 2 60 HIS HB2 3.000 . 3.500 2.581 2.504 2.731 . 0 0 "[ . 1 . 2 .]" 7
928 2 60 HIS H 2 61 VAL H 3.000 . 3.500 2.620 2.553 2.645 . 0 0 "[ . 1 . 2 .]" 7
929 2 60 HIS HB3 2 61 VAL H 3.000 . 3.500 2.228 2.150 2.288 . 0 0 "[ . 1 . 2 .]" 7
930 2 60 HIS HB2 2 61 VAL H 3.000 . 3.500 3.628 3.585 3.708 0.208 24 0 "[ . 1 . 2 .]" 7
931 2 60 HIS HD2 2 61 VAL H 4.000 . 5.000 3.786 3.201 4.109 . 0 0 "[ . 1 . 2 .]" 7
932 2 60 HIS HA 2 61 VAL H 4.000 . 5.000 3.525 3.510 3.537 . 0 0 "[ . 1 . 2 .]" 7
933 2 60 HIS HB2 2 63 LEU H 4.000 . 6.000 5.541 5.386 5.646 . 0 0 "[ . 1 . 2 .]" 7
934 2 60 HIS HB2 2 88 LEU H 4.000 . 6.000 6.055 5.978 6.108 0.108 17 0 "[ . 1 . 2 .]" 7
935 2 60 HIS HE1 2 88 LEU H 4.000 . 6.000 3.607 3.094 4.219 . 0 0 "[ . 1 . 2 .]" 7
936 2 61 VAL H 2 61 VAL MG2 2.500 . 3.400 1.919 1.812 2.002 . 0 0 "[ . 1 . 2 .]" 7
937 2 61 VAL H 2 61 VAL HB 2.500 . 2.900 2.602 2.564 2.648 . 0 0 "[ . 1 . 2 .]" 7
938 2 61 VAL H 2 61 VAL MG1 3.000 . 4.000 3.717 3.706 3.733 . 0 0 "[ . 1 . 2 .]" 7
939 2 61 VAL MG2 2 62 GLU H 3.000 . 4.000 3.619 3.573 3.659 . 0 0 "[ . 1 . 2 .]" 7
940 2 61 VAL MG1 2 62 GLU H 3.000 . 4.000 3.403 3.351 3.468 . 0 0 "[ . 1 . 2 .]" 7
941 2 61 VAL H 2 62 GLU H 3.000 . 3.500 2.788 2.739 2.825 . 0 0 "[ . 1 . 2 .]" 7
942 2 61 VAL HA 2 62 GLU H 4.000 . 5.000 3.523 3.511 3.532 . 0 0 "[ . 1 . 2 .]" 7
943 2 61 VAL HA 2 63 LEU H 4.000 . 5.000 4.564 4.351 4.772 . 0 0 "[ . 1 . 2 .]" 7
944 2 61 VAL HA 2 64 MET H 4.000 . 5.000 3.776 3.560 3.985 . 0 0 "[ . 1 . 2 .]" 7
945 2 61 VAL HA 2 65 ASP H 4.000 . 5.000 4.082 3.907 4.292 . 0 0 "[ . 1 . 2 .]" 7
946 2 62 GLU H 2 62 GLU HG3 4.000 . 5.000 4.334 4.285 4.365 . 0 0 "[ . 1 . 2 .]" 7
947 2 62 GLU HG3 2 63 LEU H 4.000 . 5.000 4.781 4.693 4.917 . 0 0 "[ . 1 . 2 .]" 7
948 2 62 GLU HB3 2 63 LEU H 2.500 . 2.900 2.422 2.341 2.571 . 0 0 "[ . 1 . 2 .]" 7
949 2 62 GLU H 2 63 LEU H 2.500 . 2.900 2.589 2.515 2.658 . 0 0 "[ . 1 . 2 .]" 7
950 2 62 GLU H 2 63 LEU QB 4.000 . 5.500 4.365 4.291 4.442 . 0 0 "[ . 1 . 2 .]" 7
951 2 62 GLU H 2 64 MET H 4.000 . 5.000 4.161 4.078 4.251 . 0 0 "[ . 1 . 2 .]" 7
952 2 62 GLU HA 2 65 ASP H 3.000 . 3.500 3.515 3.479 3.550 0.050 21 0 "[ . 1 . 2 .]" 7
953 2 62 GLU H 2 65 ASP HB2 4.000 . 6.000 4.830 4.680 5.016 . 0 0 "[ . 1 . 2 .]" 7
954 2 63 LEU H 2 63 LEU HG 4.000 . 5.000 4.436 4.394 4.473 . 0 0 "[ . 1 . 2 .]" 7
955 2 63 LEU H 2 63 LEU QB 2.500 . 3.400 2.261 2.210 2.285 . 0 0 "[ . 1 . 2 .]" 7
956 2 63 LEU H 2 64 MET H 2.500 . 2.900 2.638 2.591 2.703 . 0 0 "[ . 1 . 2 .]" 7
957 2 63 LEU HG 2 64 MET H 4.000 . 5.000 3.832 3.448 4.151 . 0 0 "[ . 1 . 2 .]" 7
958 2 63 LEU MD2 2 64 MET H 4.000 . 5.500 4.077 3.827 4.196 . 0 0 "[ . 1 . 2 .]" 7
959 2 63 LEU QB 2 65 ASP H 4.000 . 6.500 4.386 4.340 4.434 . 0 0 "[ . 1 . 2 .]" 7
960 2 63 LEU H 2 65 ASP H 3.000 . 3.500 3.712 3.683 3.782 0.282 23 0 "[ . 1 . 2 .]" 7
961 2 63 LEU MD1 2 67 PHE H 4.000 . 5.500 4.317 3.643 4.882 . 0 0 "[ . 1 . 2 .]" 7
962 2 64 MET H 2 64 MET HG3 3.000 . 3.500 3.578 3.505 3.627 0.127 17 0 "[ . 1 . 2 .]" 7
963 2 64 MET H 2 64 MET HB2 3.000 . 3.500 2.481 2.418 2.559 . 0 0 "[ . 1 . 2 .]" 7
964 2 64 MET H 2 65 ASP H 3.000 . 3.500 2.548 2.510 2.590 . 0 0 "[ . 1 . 2 .]" 7
965 2 64 MET HB3 2 65 ASP H 4.000 . 5.000 3.788 3.718 3.832 . 0 0 "[ . 1 . 2 .]" 7
966 2 64 MET HB2 2 65 ASP H 3.000 . 3.500 2.754 2.707 2.788 . 0 0 "[ . 1 . 2 .]" 7
967 2 64 MET HB3 2 66 THR H 4.000 . 6.000 5.691 5.589 5.942 . 0 0 "[ . 1 . 2 .]" 7
968 2 64 MET H 2 81 LEU MD1 4.000 . 6.500 4.668 4.504 4.959 . 0 0 "[ . 1 . 2 .]" 7
969 2 65 ASP H 2 65 ASP HB3 2.500 . 2.900 2.670 2.586 2.746 . 0 0 "[ . 1 . 2 .]" 7
970 2 65 ASP HB2 2 66 THR H 3.000 . 3.500 3.604 3.565 3.644 0.144 8 0 "[ . 1 . 2 .]" 7
971 2 65 ASP H 2 66 THR H 3.000 . 3.500 2.560 2.520 2.673 . 0 0 "[ . 1 . 2 .]" 7
972 2 66 THR H 2 66 THR HB 2.500 . 2.900 2.436 2.219 2.552 . 0 0 "[ . 1 . 2 .]" 7
973 2 66 THR H 2 66 THR MG 3.000 . 4.000 3.711 3.650 3.731 . 0 0 "[ . 1 . 2 .]" 7
974 2 66 THR H 2 67 PHE H 3.000 . 3.500 2.771 2.678 2.844 . 0 0 "[ . 1 . 2 .]" 7
975 2 66 THR MG 2 67 PHE H 4.000 . 5.500 3.268 2.764 3.530 . 0 0 "[ . 1 . 2 .]" 7
976 2 66 THR HB 2 67 PHE H 3.000 . 3.500 2.477 2.320 2.594 . 0 0 "[ . 1 . 2 .]" 7
977 2 66 THR HA 2 69 LYS H 3.000 . 3.500 3.591 3.541 3.642 0.142 7 0 "[ . 1 . 2 .]" 7
978 2 66 THR H 2 69 LYS HG3 4.000 . 6.000 5.430 5.034 5.807 . 0 0 "[ . 1 . 2 .]" 7
979 2 67 PHE H 2 67 PHE QD 4.000 . 5.000 2.585 1.872 3.144 . 0 0 "[ . 1 . 2 .]" 7
980 2 67 PHE H 2 67 PHE HB2 3.000 . 3.500 2.269 2.206 2.304 . 0 0 "[ . 1 . 2 .]" 7
981 2 67 PHE H 2 67 PHE HB3 3.000 . 3.500 3.543 3.510 3.558 0.058 18 0 "[ . 1 . 2 .]" 7
982 2 67 PHE H 2 81 LEU MD1 4.000 . 5.500 3.739 3.378 4.006 . 0 0 "[ . 1 . 2 .]" 7
983 2 69 LYS H 2 69 LYS QB 3.000 . 4.000 2.449 2.365 2.742 . 0 0 "[ . 1 . 2 .]" 7
984 2 69 LYS H 2 69 LYS HG3 4.000 . 5.000 2.611 2.151 3.541 . 0 0 "[ . 1 . 2 .]" 7
985 2 69 LYS H 2 69 LYS HG2 4.000 . 6.000 2.920 1.747 3.532 0.053 9 0 "[ . 1 . 2 .]" 7
986 2 70 GLN H 2 70 GLN HG3 4.000 . 5.000 3.664 2.260 4.455 . 0 0 "[ . 1 . 2 .]" 7
987 2 70 GLN H 2 70 GLN QB 3.000 . 4.000 2.250 2.043 2.394 . 0 0 "[ . 1 . 2 .]" 7
988 2 70 GLN QB 2 71 LEU H 4.000 . 5.500 2.252 2.076 2.466 . 0 0 "[ . 1 . 2 .]" 7
989 2 70 GLN H 2 71 LEU H 4.000 . 6.000 2.839 2.715 2.965 . 0 0 "[ . 1 . 2 .]" 7
990 2 70 GLN HE22 2 74 GLU HG3 4.000 . 6.000 5.534 4.262 6.052 0.052 20 0 "[ . 1 . 2 .]" 7
991 2 71 LEU H 2 71 LEU MD2 4.000 . 5.500 1.886 1.768 2.191 0.032 4 0 "[ . 1 . 2 .]" 7
992 2 71 LEU H 2 71 LEU HB2 3.000 . 3.500 2.431 2.338 2.538 . 0 0 "[ . 1 . 2 .]" 7
993 2 71 LEU H 2 71 LEU HB3 4.000 . 5.000 3.615 3.591 3.639 . 0 0 "[ . 1 . 2 .]" 7
994 2 71 LEU H 2 72 LYS H 4.000 . 5.000 2.922 2.739 3.145 . 0 0 "[ . 1 . 2 .]" 7
995 2 71 LEU MD2 2 72 LYS H 4.000 . 5.500 4.001 3.856 4.120 . 0 0 "[ . 1 . 2 .]" 7
996 2 71 LEU HB3 2 72 LYS H 4.000 . 5.000 3.463 3.228 3.675 . 0 0 "[ . 1 . 2 .]" 7
997 2 71 LEU HA 2 72 LYS H 4.000 . 5.000 3.558 3.503 3.584 . 0 0 "[ . 1 . 2 .]" 7
998 2 71 LEU H 2 74 GLU HG3 4.000 . 6.000 4.995 4.606 5.405 . 0 0 "[ . 1 . 2 .]" 7
999 2 71 LEU HG 2 80 ILE H 4.000 . 6.000 4.561 4.345 5.053 . 0 0 "[ . 1 . 2 .]" 7
1000 2 71 LEU HG 2 81 LEU H 3.000 . 3.500 3.486 3.237 3.569 0.069 22 0 "[ . 1 . 2 .]" 7
1001 2 72 LYS H 2 72 LYS HG3 4.000 . 5.000 2.589 2.114 4.232 . 0 0 "[ . 1 . 2 .]" 7
1002 2 72 LYS H 2 72 LYS QB 3.000 . 4.000 2.375 2.055 2.504 . 0 0 "[ . 1 . 2 .]" 7
1003 2 72 LYS H 2 73 LEU H 4.000 . 5.000 2.744 2.663 2.890 . 0 0 "[ . 1 . 2 .]" 7
1004 2 73 LEU H 2 73 LEU HB2 2.500 . 2.900 2.503 2.418 2.645 . 0 0 "[ . 1 . 2 .]" 7
1005 2 73 LEU H 2 73 LEU HB3 3.000 . 3.500 3.570 3.555 3.608 0.108 21 0 "[ . 1 . 2 .]" 7
1006 2 73 LEU H 2 74 GLU HG2 4.000 . 5.000 3.883 3.750 4.071 . 0 0 "[ . 1 . 2 .]" 7
1007 2 74 GLU H 2 74 GLU HB2 3.000 . 3.500 2.590 2.525 2.677 . 0 0 "[ . 1 . 2 .]" 7
1008 2 74 GLU H 2 74 GLU HB3 4.000 . 5.000 3.574 3.554 3.640 . 0 0 "[ . 1 . 2 .]" 7
1009 2 74 GLU H 2 74 GLU HG3 4.000 . 5.000 3.577 3.500 3.696 . 0 0 "[ . 1 . 2 .]" 7
1010 2 75 GLY HA3 2 76 ARG H 4.000 . 5.000 3.417 3.199 3.599 . 0 0 "[ . 1 . 2 .]" 7
1011 2 76 ARG H 2 76 ARG QD 4.000 . 6.500 4.049 2.044 4.704 . 0 0 "[ . 1 . 2 .]" 7
1012 2 78 GLU HA 2 79 ASP H 4.000 . 5.000 3.389 3.289 3.570 . 0 0 "[ . 1 . 2 .]" 7
1013 2 79 ASP H 2 79 ASP HB2 4.000 . 5.000 2.522 2.391 3.195 . 0 0 "[ . 1 . 2 .]" 7
1014 2 79 ASP H 2 80 ILE H 4.000 . 6.000 2.829 2.683 3.914 . 0 0 "[ . 1 . 2 .]" 7
1015 2 79 ASP HA 2 80 ILE H 3.000 . 3.500 3.531 3.515 3.541 0.041 11 0 "[ . 1 . 2 .]" 7
1016 2 79 ASP HB2 2 80 ILE H 4.000 . 5.000 2.628 1.901 2.755 . 0 0 "[ . 1 . 2 .]" 7
1017 2 80 ILE H 2 80 ILE HG13 4.000 . 5.000 4.473 4.423 4.508 . 0 0 "[ . 1 . 2 .]" 7
1018 2 80 ILE H 2 80 ILE HG12 4.000 . 5.000 4.231 4.075 4.335 . 0 0 "[ . 1 . 2 .]" 7
1019 2 80 ILE H 2 80 ILE HB 3.000 . 3.500 2.847 2.720 2.984 . 0 0 "[ . 1 . 2 .]" 7
1020 2 80 ILE H 2 80 ILE MG 3.000 . 4.000 1.766 1.702 1.836 0.098 17 0 "[ . 1 . 2 .]" 7
1021 2 80 ILE HA 2 81 LEU H 4.000 . 5.000 3.547 3.526 3.572 . 0 0 "[ . 1 . 2 .]" 7
1022 2 80 ILE MG 2 81 LEU H 4.000 . 5.500 1.757 1.706 1.884 0.094 1 0 "[ . 1 . 2 .]" 7
1023 2 80 ILE H 2 81 LEU H 4.000 . 5.000 2.627 2.465 2.862 . 0 0 "[ . 1 . 2 .]" 7
1024 2 80 ILE HG12 2 83 ASP H 4.000 . 5.000 5.057 4.983 5.107 0.107 23 0 "[ . 1 . 2 .]" 7
1025 2 81 LEU H 2 81 LEU MD1 4.000 . 5.500 3.953 3.870 4.033 . 0 0 "[ . 1 . 2 .]" 7
1026 2 82 LEU H 2 82 LEU QB 3.000 . 4.000 2.026 1.982 2.058 . 0 0 "[ . 1 . 2 .]" 7
1027 2 82 LEU MD2 2 83 ASP H 4.000 . 5.500 4.581 4.405 4.902 . 0 0 "[ . 1 . 2 .]" 7
1028 2 82 LEU QB 2 83 ASP H 4.000 . 5.500 2.994 2.539 3.460 . 0 0 "[ . 1 . 2 .]" 7
1029 2 82 LEU MD1 2 83 ASP H 4.000 . 5.500 3.910 3.731 4.197 . 0 0 "[ . 1 . 2 .]" 7
1030 2 83 ASP H 2 83 ASP HB2 3.000 . 3.500 3.607 3.524 3.678 0.178 4 0 "[ . 1 . 2 .]" 7
1031 2 83 ASP H 2 83 ASP HB3 3.000 . 3.500 2.600 2.428 2.999 . 0 0 "[ . 1 . 2 .]" 7
1032 2 83 ASP HB2 2 86 LEU H 4.000 . 6.000 4.814 4.497 5.176 . 0 0 "[ . 1 . 2 .]" 7
1033 2 84 TYR HB2 2 85 ARG H 4.000 . 6.000 3.271 3.041 3.478 . 0 0 "[ . 1 . 2 .]" 7
1034 2 84 TYR HA 2 86 LEU H 4.000 . 5.000 3.783 3.530 4.051 . 0 0 "[ . 1 . 2 .]" 7
1035 2 84 TYR QD 2 87 THR H 4.000 . 6.000 4.623 3.820 5.197 . 0 0 "[ . 1 . 2 .]" 7
1036 2 84 TYR HA 2 87 THR H 3.000 . 3.500 2.945 2.762 3.236 . 0 0 "[ . 1 . 2 .]" 7
1037 2 85 ARG QG 2 86 LEU H 4.000 . 5.500 1.934 1.740 2.933 0.060 22 0 "[ . 1 . 2 .]" 7
1038 2 85 ARG H 2 86 LEU H 4.000 . 5.000 2.738 2.665 2.803 . 0 0 "[ . 1 . 2 .]" 7
1039 2 86 LEU H 2 86 LEU MD1 4.000 . 5.500 3.426 3.149 3.600 . 0 0 "[ . 1 . 2 .]" 7
1040 2 86 LEU H 2 86 LEU MD2 4.000 . 5.500 3.493 3.238 3.856 . 0 0 "[ . 1 . 2 .]" 7
1041 2 86 LEU H 2 86 LEU HB2 3.000 . 3.500 2.424 2.300 2.491 . 0 0 "[ . 1 . 2 .]" 7
1042 2 86 LEU H 2 87 THR H 3.000 . 3.500 2.698 2.591 2.811 . 0 0 "[ . 1 . 2 .]" 7
1043 2 86 LEU MD1 2 87 THR H 4.000 . 6.500 4.403 4.250 4.511 . 0 0 "[ . 1 . 2 .]" 7
1044 2 86 LEU HB3 2 87 THR H 3.000 . 3.500 3.531 3.392 3.582 0.082 15 0 "[ . 1 . 2 .]" 7
1045 2 86 LEU HB2 2 87 THR H 4.000 . 5.000 2.556 2.486 2.661 . 0 0 "[ . 1 . 2 .]" 7
1046 2 86 LEU H 2 89 ILE MD 4.000 . 5.500 5.232 4.259 5.549 0.049 10 0 "[ . 1 . 2 .]" 7
1047 2 86 LEU HA 2 90 ASP H 4.000 . 5.000 3.941 3.581 4.178 . 0 0 "[ . 1 . 2 .]" 7
1048 2 87 THR H 2 87 THR HB 3.000 . 3.500 2.646 2.561 2.713 . 0 0 "[ . 1 . 2 .]" 7
1049 2 87 THR H 2 87 THR MG 4.000 . 5.500 3.735 3.725 3.748 . 0 0 "[ . 1 . 2 .]" 7
1050 2 87 THR H 2 88 LEU H 4.000 . 5.000 2.732 2.645 2.831 . 0 0 "[ . 1 . 2 .]" 7
1051 2 87 THR HA 2 88 LEU H 4.000 . 6.000 3.562 3.547 3.576 . 0 0 "[ . 1 . 2 .]" 7
1052 2 87 THR H 2 88 LEU HB2 4.000 . 5.000 4.944 4.752 5.095 0.095 3 0 "[ . 1 . 2 .]" 7
1053 2 88 LEU H 2 88 LEU HB3 3.000 . 3.500 2.683 2.479 2.835 . 0 0 "[ . 1 . 2 .]" 7
1054 2 88 LEU H 2 88 LEU HB2 3.000 . 3.500 2.366 2.221 2.540 . 0 0 "[ . 1 . 2 .]" 7
1055 2 88 LEU H 2 88 LEU MD1 4.000 . 5.500 4.139 3.947 4.275 . 0 0 "[ . 1 . 2 .]" 7
1056 2 88 LEU H 2 88 LEU HG 4.000 . 5.000 4.395 4.178 4.628 . 0 0 "[ . 1 . 2 .]" 7
1057 2 88 LEU H 2 89 ILE H 4.000 . 5.000 2.749 2.641 2.850 . 0 0 "[ . 1 . 2 .]" 7
1058 2 88 LEU HB3 2 89 ILE H 4.000 . 5.000 2.360 2.139 2.525 . 0 0 "[ . 1 . 2 .]" 7
1059 2 88 LEU HB2 2 89 ILE H 4.000 . 5.000 3.619 3.401 3.851 . 0 0 "[ . 1 . 2 .]" 7
1060 2 88 LEU HG 2 89 ILE H 4.000 . 5.000 4.779 4.652 4.933 . 0 0 "[ . 1 . 2 .]" 7
1061 2 88 LEU MD1 2 89 ILE H 4.000 . 5.500 3.489 2.602 4.227 . 0 0 "[ . 1 . 2 .]" 7
1062 2 88 LEU HA 2 91 VAL H 4.000 . 5.000 3.481 3.275 3.680 . 0 0 "[ . 1 . 2 .]" 7
1063 2 89 ILE H 2 89 ILE HG13 2.500 . 2.900 2.335 2.132 2.718 . 0 0 "[ . 1 . 2 .]" 7
1064 2 89 ILE H 2 89 ILE HG12 3.000 . 3.500 2.850 2.137 3.582 0.082 8 0 "[ . 1 . 2 .]" 7
1065 2 89 ILE HB 2 90 ASP H 3.000 . 3.500 2.623 2.434 2.773 . 0 0 "[ . 1 . 2 .]" 7
1066 2 89 ILE MG 2 90 ASP H 3.000 . 4.000 3.492 3.293 3.638 . 0 0 "[ . 1 . 2 .]" 7
1067 2 89 ILE HA 2 90 ASP H 4.000 . 6.000 3.534 3.511 3.560 . 0 0 "[ . 1 . 2 .]" 7
1068 2 89 ILE HA 2 91 VAL H 4.000 . 6.000 4.459 4.289 4.626 . 0 0 "[ . 1 . 2 .]" 7
1069 2 89 ILE HA 2 92 ILE H 4.000 . 6.000 3.835 3.565 4.086 . 0 0 "[ . 1 . 2 .]" 7
1070 2 89 ILE HA 2 93 ALA H 4.000 . 6.000 4.055 3.664 4.391 . 0 0 "[ . 1 . 2 .]" 7
1071 2 90 ASP H 2 90 ASP QB 2.500 . 3.400 2.309 2.063 2.418 . 0 0 "[ . 1 . 2 .]" 7
1072 2 90 ASP H 2 91 VAL H 3.000 . 3.500 2.641 2.524 2.747 . 0 0 "[ . 1 . 2 .]" 7
1073 2 90 ASP QB 2 91 VAL H 3.000 . 4.000 2.641 2.473 3.292 . 0 0 "[ . 1 . 2 .]" 7
1074 2 90 ASP HA 2 91 VAL H 4.000 . 5.000 3.550 3.523 3.570 . 0 0 "[ . 1 . 2 .]" 7
1075 2 90 ASP HA 2 93 ALA H 4.000 . 5.000 3.492 3.286 3.666 . 0 0 "[ . 1 . 2 .]" 7
1076 2 91 VAL H 2 91 VAL MG2 3.000 . 4.000 2.370 2.177 2.515 . 0 0 "[ . 1 . 2 .]" 7
1077 2 91 VAL H 2 91 VAL MG1 3.000 . 4.000 3.727 3.696 3.750 . 0 0 "[ . 1 . 2 .]" 7
1078 2 91 VAL H 2 91 VAL HB 3.000 . 3.500 2.386 2.305 2.498 . 0 0 "[ . 1 . 2 .]" 7
1079 2 91 VAL H 2 92 ILE H 3.000 . 3.500 2.842 2.743 2.931 . 0 0 "[ . 1 . 2 .]" 7
1080 2 91 VAL HB 2 92 ILE H 4.000 . 5.000 2.469 2.362 2.551 . 0 0 "[ . 1 . 2 .]" 7
1081 2 91 VAL HA 2 92 ILE H 4.000 . 5.000 3.585 3.571 3.604 . 0 0 "[ . 1 . 2 .]" 7
1082 2 91 VAL MG1 2 92 ILE H 3.000 . 4.000 3.013 2.726 3.226 . 0 0 "[ . 1 . 2 .]" 7
1083 2 91 VAL HA 2 94 HIS H 4.000 . 5.000 3.543 3.335 3.761 . 0 0 "[ . 1 . 2 .]" 7
1084 2 91 VAL HA 2 95 LEU H 4.000 . 5.000 4.348 4.137 4.460 . 0 0 "[ . 1 . 2 .]" 7
1085 2 92 ILE H 2 92 ILE HG13 3.000 . 3.500 3.004 1.795 3.272 0.005 8 0 "[ . 1 . 2 .]" 7
1086 2 92 ILE H 2 92 ILE HG12 4.000 . 5.000 1.998 1.825 3.334 . 0 0 "[ . 1 . 2 .]" 7
1087 2 92 ILE H 2 92 ILE MG 3.000 . 4.000 2.342 2.054 3.756 . 0 0 "[ . 1 . 2 .]" 7
1088 2 92 ILE H 2 92 ILE HB 3.000 . 3.500 3.528 2.582 3.598 0.098 13 0 "[ . 1 . 2 .]" 7
1089 2 92 ILE H 2 93 ALA MB 4.000 . 5.500 4.201 4.157 4.255 . 0 0 "[ . 1 . 2 .]" 7
1090 2 92 ILE HG13 2 93 ALA H 4.000 . 5.000 2.350 2.028 4.074 . 0 0 "[ . 1 . 2 .]" 7
1091 2 92 ILE H 2 93 ALA H 3.000 . 3.500 2.523 2.483 2.589 . 0 0 "[ . 1 . 2 .]" 7
1092 2 92 ILE MG 2 93 ALA H 3.000 . 4.000 3.895 3.570 4.073 0.073 8 0 "[ . 1 . 2 .]" 7
1093 2 92 ILE HG12 2 93 ALA H 4.000 . 5.000 2.739 2.291 4.929 . 0 0 "[ . 1 . 2 .]" 7
1094 2 92 ILE HB 2 93 ALA H 4.000 . 5.000 3.731 2.603 3.947 . 0 0 "[ . 1 . 2 .]" 7
1095 2 92 ILE MG 2 94 HIS H 4.000 . 6.500 5.300 5.082 5.511 . 0 0 "[ . 1 . 2 .]" 7
1096 2 92 ILE HA 2 95 LEU H 3.000 . 3.500 3.531 3.473 3.574 0.074 20 0 "[ . 1 . 2 .]" 7
1097 2 92 ILE HA 2 96 CYS H 4.000 . 5.000 3.925 3.529 4.152 . 0 0 "[ . 1 . 2 .]" 7
1098 2 93 ALA H 2 93 ALA MB 2.500 . 3.400 2.216 2.152 2.255 . 0 0 "[ . 1 . 2 .]" 7
1099 2 93 ALA MB 2 94 HIS H 3.000 . 4.000 2.599 2.421 2.778 . 0 0 "[ . 1 . 2 .]" 7
1100 2 93 ALA H 2 94 HIS H 3.000 . 3.500 2.574 2.408 2.776 . 0 0 "[ . 1 . 2 .]" 7
1101 2 93 ALA H 2 95 LEU H 4.000 . 6.000 4.434 4.201 4.529 . 0 0 "[ . 1 . 2 .]" 7
1102 2 93 ALA H 2 96 CYS HB2 4.000 . 6.000 5.204 4.847 5.604 . 0 0 "[ . 1 . 2 .]" 7
1103 2 94 HIS H 2 94 HIS QB 2.500 . 3.400 2.178 2.056 2.386 . 0 0 "[ . 1 . 2 .]" 7
1104 2 94 HIS HA 2 95 LEU H 4.000 . 5.000 3.598 3.577 3.616 . 0 0 "[ . 1 . 2 .]" 7
1105 2 94 HIS QB 2 95 LEU H 3.000 . 4.000 2.397 2.266 2.556 . 0 0 "[ . 1 . 2 .]" 7
1106 2 94 HIS H 2 95 LEU H 3.000 . 3.500 2.821 2.761 2.910 . 0 0 "[ . 1 . 2 .]" 7
1107 2 94 HIS HA 2 96 CYS H 4.000 . 5.000 4.358 4.083 4.544 . 0 0 "[ . 1 . 2 .]" 7
1108 2 94 HIS HA 2 97 GLU H 4.000 . 6.000 3.374 3.068 3.685 . 0 0 "[ . 1 . 2 .]" 7
1109 2 94 HIS HA 2 98 MET H 4.000 . 6.000 4.641 4.398 4.772 . 0 0 "[ . 1 . 2 .]" 7
1110 2 95 LEU H 2 95 LEU HB3 3.000 . 3.500 2.179 2.143 2.203 . 0 0 "[ . 1 . 2 .]" 7
1111 2 95 LEU H 2 95 LEU MD2 3.000 . 4.000 2.900 2.098 3.606 . 0 0 "[ . 1 . 2 .]" 7
1112 2 95 LEU H 2 95 LEU HB2 3.000 . 3.500 3.486 3.458 3.504 0.004 8 0 "[ . 1 . 2 .]" 7
1113 2 95 LEU H 2 96 CYS H 3.000 . 3.500 2.581 2.507 2.655 . 0 0 "[ . 1 . 2 .]" 7
1114 2 95 LEU HB3 2 96 CYS H 3.000 . 3.500 3.523 3.475 3.562 0.062 2 0 "[ . 1 . 2 .]" 7
1115 2 95 LEU MD1 2 98 MET H 4.000 . 5.500 4.889 4.069 5.660 0.160 1 0 "[ . 1 . 2 .]" 7
1116 2 95 LEU MD1 2 99 TYR H 4.000 . 5.500 4.453 3.567 5.509 0.009 16 0 "[ . 1 . 2 .]" 7
1117 2 96 CYS H 2 96 CYS HB3 3.000 . 3.500 2.504 2.234 2.733 . 0 0 "[ . 1 . 2 .]" 7
1118 2 96 CYS HB3 2 97 GLU H 4.000 . 6.000 2.693 2.547 3.040 . 0 0 "[ . 1 . 2 .]" 7
1119 2 96 CYS H 2 97 GLU H 4.000 . 5.000 2.616 2.429 2.722 . 0 0 "[ . 1 . 2 .]" 7
1120 2 96 CYS HB2 2 97 GLU H 4.000 . 5.000 3.917 3.714 4.234 . 0 0 "[ . 1 . 2 .]" 7
1121 2 96 CYS H 2 98 MET H 4.000 . 6.000 3.959 3.846 4.289 . 0 0 "[ . 1 . 2 .]" 7
1122 2 96 CYS HA 2 99 TYR H 2.500 . 2.900 3.079 3.023 3.129 0.229 13 0 "[ . 1 . 2 .]" 7
1123 2 97 GLU H 2 97 GLU HB2 3.000 . 3.500 2.371 2.300 2.436 . 0 0 "[ . 1 . 2 .]" 7
1124 2 97 GLU H 2 97 GLU HG3 4.000 . 5.000 3.040 2.272 3.756 . 0 0 "[ . 1 . 2 .]" 7
1125 2 97 GLU H 2 97 GLU HB3 4.000 . 5.000 3.581 3.556 3.596 . 0 0 "[ . 1 . 2 .]" 7
1126 2 97 GLU H 2 97 GLU HG2 4.000 . 5.000 2.953 2.377 3.738 . 0 0 "[ . 1 . 2 .]" 7
1127 2 97 GLU H 2 98 MET H 3.000 . 3.500 2.584 2.535 2.701 . 0 0 "[ . 1 . 2 .]" 7
1128 2 97 GLU HG3 2 98 MET H 4.000 . 6.000 4.801 4.353 5.234 . 0 0 "[ . 1 . 2 .]" 7
1129 2 97 GLU HG2 2 98 MET H 4.000 . 5.000 4.746 4.467 5.099 0.099 8 0 "[ . 1 . 2 .]" 7
1130 2 97 GLU HA 2 98 MET H 4.000 . 5.000 3.526 3.508 3.579 . 0 0 "[ . 1 . 2 .]" 7
1131 2 97 GLU HA 2 100 ARG H 4.000 . 5.000 3.444 3.192 3.708 . 0 0 "[ . 1 . 2 .]" 7
1132 2 98 MET H 2 98 MET HG3 3.000 . 3.500 2.973 1.703 3.092 0.097 25 0 "[ . 1 . 2 .]" 7
1133 2 98 MET H 2 98 MET HB2 3.000 . 3.500 3.558 3.533 3.579 0.079 20 0 "[ . 1 . 2 .]" 7
1134 2 98 MET H 2 98 MET HB3 2.500 . 2.900 2.324 2.275 3.037 0.137 25 0 "[ . 1 . 2 .]" 7
1135 2 98 MET H 2 99 TYR H 3.000 . 3.500 2.628 2.551 2.696 . 0 0 "[ . 1 . 2 .]" 7
1136 2 98 MET HA 2 99 TYR H 4.000 . 5.000 3.546 3.518 3.587 . 0 0 "[ . 1 . 2 .]" 7
1137 2 98 MET H 2 100 ARG H 4.000 . 5.000 4.200 4.059 4.386 . 0 0 "[ . 1 . 2 .]" 7
1138 2 98 MET HA 2 101 ARG H 4.000 . 5.000 3.262 2.935 3.433 . 0 0 "[ . 1 . 2 .]" 7
1139 2 98 MET HA 2 102 SER H 4.000 . 6.000 4.466 3.721 5.009 . 0 0 "[ . 1 . 2 .]" 7
1140 2 99 TYR H 2 99 TYR HB2 3.000 . 3.500 2.464 2.327 2.577 . 0 0 "[ . 1 . 2 .]" 7
1141 2 99 TYR H 2 99 TYR HB3 4.000 . 5.000 3.627 3.594 3.650 . 0 0 "[ . 1 . 2 .]" 7
1142 2 99 TYR HA 2 100 ARG H 4.000 . 5.000 3.532 3.512 3.555 . 0 0 "[ . 1 . 2 .]" 7
1143 2 99 TYR H 2 100 ARG H 4.000 . 5.000 2.613 2.532 2.699 . 0 0 "[ . 1 . 2 .]" 7
1144 2 99 TYR H 2 100 ARG HB2 4.000 . 5.000 4.887 4.733 5.038 0.038 11 0 "[ . 1 . 2 .]" 7
1145 2 99 TYR HB3 2 102 SER H 4.000 . 6.000 4.934 4.666 5.231 . 0 0 "[ . 1 . 2 .]" 7
1146 2 100 ARG H 2 100 ARG QG 3.000 . 4.000 3.945 3.917 4.015 0.015 14 0 "[ . 1 . 2 .]" 7
1147 2 100 ARG H 2 100 ARG HB3 3.000 . 3.500 2.619 2.464 2.730 . 0 0 "[ . 1 . 2 .]" 7
1148 2 100 ARG H 2 101 ARG H 4.000 . 5.000 2.696 2.613 2.768 . 0 0 "[ . 1 . 2 .]" 7
1149 2 100 ARG QG 2 101 ARG H 4.000 . 5.500 3.716 3.398 3.924 . 0 0 "[ . 1 . 2 .]" 7
1150 2 100 ARG HA 2 101 ARG H 4.000 . 5.000 3.530 3.505 3.549 . 0 0 "[ . 1 . 2 .]" 7
1151 2 100 ARG HA 2 102 SER H 4.000 . 6.000 4.023 3.678 4.268 . 0 0 "[ . 1 . 2 .]" 7
1152 2 101 ARG H 2 101 ARG HD2 4.000 . 5.000 4.254 3.834 4.665 . 0 0 "[ . 1 . 2 .]" 7
1153 2 101 ARG H 2 101 ARG HG2 3.000 . 3.500 3.415 3.250 3.538 0.038 9 0 "[ . 1 . 2 .]" 7
1154 2 101 ARG H 2 101 ARG HG3 2.500 . 2.900 2.152 1.982 2.280 . 0 0 "[ . 1 . 2 .]" 7
1155 2 101 ARG H 2 102 SER H 4.000 . 5.000 2.559 2.409 2.744 . 0 0 "[ . 1 . 2 .]" 7
1156 2 101 ARG HB2 2 102 SER H 3.000 . 3.500 3.015 2.788 3.406 . 0 0 "[ . 1 . 2 .]" 7
1157 2 101 ARG HA 2 102 SER H 4.000 . 5.000 3.465 3.368 3.515 . 0 0 "[ . 1 . 2 .]" 7
1158 2 102 SER H 2 102 SER QB 2.500 . 3.400 2.435 2.211 2.912 . 0 0 "[ . 1 . 2 .]" 7
1159 2 102 SER H 2 103 ILE H 3.000 . 3.500 2.743 2.516 3.065 . 0 0 "[ . 1 . 2 .]" 7
1160 2 102 SER H 2 103 ILE HG12 3.000 . 3.500 3.577 3.494 3.667 0.167 13 0 "[ . 1 . 2 .]" 7
1161 2 104 PRO HB3 2 105 ARG H 4.000 . 5.000 4.468 3.171 4.697 . 0 0 "[ . 1 . 2 .]" 7
1162 2 104 PRO HB2 2 105 ARG H 4.000 . 5.000 4.092 2.493 4.386 . 0 0 "[ . 1 . 2 .]" 7
1163 2 105 ARG H 2 105 ARG HB3 4.000 . 5.000 3.949 3.628 4.108 . 0 0 "[ . 1 . 2 .]" 7
1164 2 105 ARG H 2 105 ARG HB2 3.000 . 3.500 3.138 2.393 3.469 . 0 0 "[ . 1 . 2 .]" 7
1165 2 105 ARG HA 2 107 VAL H 3.000 . 3.500 3.310 2.931 3.635 0.135 22 0 "[ . 1 . 2 .]" 7
1166 2 106 GLU HB2 2 107 VAL H 4.000 . 6.000 3.570 2.779 4.240 . 0 0 "[ . 1 . 2 .]" 7
1167 2 106 GLU HA 2 107 VAL H 3.000 . 3.500 3.351 3.129 3.517 0.017 7 0 "[ . 1 . 2 .]" 7
1168 2 106 GLU HB3 2 107 VAL H 4.000 . 5.000 3.877 2.825 4.367 . 0 0 "[ . 1 . 2 .]" 7
1169 2 107 VAL H 2 107 VAL MG1 4.000 . 5.500 2.866 1.903 3.860 . 0 0 "[ . 1 . 2 .]" 7
stop_
save_
save_distance_constraint_statistics_8
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 8
_Distance_constraint_stats_list.Constraint_count 200
_Distance_constraint_stats_list.Viol_count 546
_Distance_constraint_stats_list.Viol_total 529.294
_Distance_constraint_stats_list.Viol_max 0.155
_Distance_constraint_stats_list.Viol_rms 0.0156
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0042
_Distance_constraint_stats_list.Viol_average_violations_only 0.0388
_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 8 ALA 0.106 0.033 9 0 "[ . 1 . 2 .]"
1 9 ASP 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 10 LYS 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 11 ARG 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 12 LYS 0.176 0.042 25 0 "[ . 1 . 2 .]"
1 13 LEU 0.747 0.070 13 0 "[ . 1 . 2 .]"
1 14 LEU 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 15 ASP 0.258 0.069 19 0 "[ . 1 . 2 .]"
1 16 GLU 0.070 0.042 25 0 "[ . 1 . 2 .]"
1 17 LEU 0.904 0.070 13 0 "[ . 1 . 2 .]"
1 18 ARG 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 19 SER 0.266 0.069 19 0 "[ . 1 . 2 .]"
1 20 ILE 0.475 0.060 17 0 "[ . 1 . 2 .]"
1 21 TYR 0.158 0.041 20 0 "[ . 1 . 2 .]"
1 22 ARG 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 23 THR 0.008 0.008 22 0 "[ . 1 . 2 .]"
1 24 ILE 0.475 0.060 17 0 "[ . 1 . 2 .]"
1 25 VAL 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 36 ASN 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 37 GLU 0.152 0.061 9 0 "[ . 1 . 2 .]"
1 38 ARG 0.342 0.057 10 0 "[ . 1 . 2 .]"
1 39 ILE 0.043 0.013 4 0 "[ . 1 . 2 .]"
1 40 ASP 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 41 GLU 0.152 0.061 9 0 "[ . 1 . 2 .]"
1 42 PHE 0.342 0.057 10 0 "[ . 1 . 2 .]"
1 43 VAL 0.519 0.069 10 0 "[ . 1 . 2 .]"
1 44 SER 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 45 LYS 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 46 ALA 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 47 PHE 0.475 0.069 10 0 "[ . 1 . 2 .]"
1 54 SER 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 55 GLN 0.026 0.026 15 0 "[ . 1 . 2 .]"
1 56 VAL 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 57 LEU 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 58 GLU 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 59 ILE 0.048 0.026 15 0 "[ . 1 . 2 .]"
1 60 HIS 0.237 0.042 17 0 "[ . 1 . 2 .]"
1 61 VAL 0.000 0.000 23 0 "[ . 1 . 2 .]"
1 62 GLU 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 63 LEU 0.022 0.022 17 0 "[ . 1 . 2 .]"
1 64 MET 0.301 0.063 23 0 "[ . 1 . 2 .]"
1 65 ASP 0.939 0.096 23 0 "[ . 1 . 2 .]"
1 66 THR 0.818 0.152 24 0 "[ . 1 . 2 .]"
1 67 PHE 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 68 SER 2.017 0.102 15 0 "[ . 1 . 2 .]"
1 69 LYS 0.939 0.096 23 0 "[ . 1 . 2 .]"
1 70 GLN 0.818 0.152 24 0 "[ . 1 . 2 .]"
1 71 LEU 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 72 LYS 1.954 0.102 15 0 "[ . 1 . 2 .]"
1 85 ARG 0.039 0.037 23 0 "[ . 1 . 2 .]"
1 86 LEU 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 87 THR 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 88 LEU 0.014 0.014 1 0 "[ . 1 . 2 .]"
1 89 ILE 0.039 0.037 23 0 "[ . 1 . 2 .]"
1 90 ASP 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 91 VAL 0.065 0.023 4 0 "[ . 1 . 2 .]"
1 92 ILE 0.014 0.014 1 0 "[ . 1 . 2 .]"
1 93 ALA 0.018 0.011 19 0 "[ . 1 . 2 .]"
1 94 HIS 1.636 0.114 19 0 "[ . 1 . 2 .]"
1 95 LEU 1.332 0.138 25 0 "[ . 1 . 2 .]"
1 96 CYS 0.105 0.041 18 0 "[ . 1 . 2 .]"
1 97 GLU 0.562 0.086 17 0 "[ . 1 . 2 .]"
1 98 MET 1.636 0.114 19 0 "[ . 1 . 2 .]"
1 99 TYR 1.267 0.138 25 0 "[ . 1 . 2 .]"
1 100 ARG 0.105 0.041 18 0 "[ . 1 . 2 .]"
1 101 ARG 0.544 0.086 17 0 "[ . 1 . 2 .]"
2 8 ALA 0.105 0.033 9 0 "[ . 1 . 2 .]"
2 9 ASP 0.000 0.000 . 0 "[ . 1 . 2 .]"
2 10 LYS 0.000 0.000 . 0 "[ . 1 . 2 .]"
2 11 ARG 0.000 0.000 . 0 "[ . 1 . 2 .]"
2 12 LYS 0.179 0.041 25 0 "[ . 1 . 2 .]"
2 13 LEU 0.755 0.069 13 0 "[ . 1 . 2 .]"
2 14 LEU 0.000 0.000 . 0 "[ . 1 . 2 .]"
2 15 ASP 0.253 0.069 19 0 "[ . 1 . 2 .]"
2 16 GLU 0.074 0.041 25 0 "[ . 1 . 2 .]"
2 17 LEU 0.908 0.069 13 0 "[ . 1 . 2 .]"
2 18 ARG 0.000 0.000 . 0 "[ . 1 . 2 .]"
2 19 SER 0.262 0.069 19 0 "[ . 1 . 2 .]"
2 20 ILE 0.470 0.059 17 0 "[ . 1 . 2 .]"
2 21 TYR 0.153 0.040 20 0 "[ . 1 . 2 .]"
2 22 ARG 0.000 0.000 . 0 "[ . 1 . 2 .]"
2 23 THR 0.009 0.009 22 0 "[ . 1 . 2 .]"
2 24 ILE 0.470 0.059 17 0 "[ . 1 . 2 .]"
2 25 VAL 0.000 0.000 . 0 "[ . 1 . 2 .]"
2 36 ASN 0.000 0.000 . 0 "[ . 1 . 2 .]"
2 37 GLU 0.155 0.061 9 0 "[ . 1 . 2 .]"
2 38 ARG 0.349 0.059 10 0 "[ . 1 . 2 .]"
2 39 ILE 0.039 0.012 23 0 "[ . 1 . 2 .]"
2 40 ASP 0.000 0.000 . 0 "[ . 1 . 2 .]"
2 41 GLU 0.155 0.061 9 0 "[ . 1 . 2 .]"
2 42 PHE 0.349 0.059 10 0 "[ . 1 . 2 .]"
2 43 VAL 0.525 0.070 10 0 "[ . 1 . 2 .]"
2 44 SER 0.000 0.000 . 0 "[ . 1 . 2 .]"
2 45 LYS 0.000 0.000 . 0 "[ . 1 . 2 .]"
2 46 ALA 0.000 0.000 . 0 "[ . 1 . 2 .]"
2 47 PHE 0.486 0.070 10 0 "[ . 1 . 2 .]"
2 54 SER 0.000 0.000 . 0 "[ . 1 . 2 .]"
2 55 GLN 0.026 0.026 15 0 "[ . 1 . 2 .]"
2 56 VAL 0.000 0.000 . 0 "[ . 1 . 2 .]"
2 57 LEU 0.000 0.000 . 0 "[ . 1 . 2 .]"
2 58 GLU 0.000 0.000 . 0 "[ . 1 . 2 .]"
2 59 ILE 0.049 0.026 15 0 "[ . 1 . 2 .]"
2 60 HIS 0.232 0.040 17 0 "[ . 1 . 2 .]"
2 61 VAL 0.000 0.000 . 0 "[ . 1 . 2 .]"
2 62 GLU 0.000 0.000 . 0 "[ . 1 . 2 .]"
2 63 LEU 0.023 0.023 17 0 "[ . 1 . 2 .]"
2 64 MET 0.295 0.063 23 0 "[ . 1 . 2 .]"
2 65 ASP 0.939 0.097 23 0 "[ . 1 . 2 .]"
2 66 THR 0.825 0.155 24 0 "[ . 1 . 2 .]"
2 67 PHE 0.000 0.000 . 0 "[ . 1 . 2 .]"
2 68 SER 2.006 0.102 15 0 "[ . 1 . 2 .]"
2 69 LYS 0.939 0.097 23 0 "[ . 1 . 2 .]"
2 70 GLN 0.825 0.155 24 0 "[ . 1 . 2 .]"
2 71 LEU 0.000 0.000 . 0 "[ . 1 . 2 .]"
2 72 LYS 1.943 0.102 15 0 "[ . 1 . 2 .]"
2 85 ARG 0.038 0.036 23 0 "[ . 1 . 2 .]"
2 86 LEU 0.000 0.000 . 0 "[ . 1 . 2 .]"
2 87 THR 0.000 0.000 . 0 "[ . 1 . 2 .]"
2 88 LEU 0.013 0.013 1 0 "[ . 1 . 2 .]"
2 89 ILE 0.038 0.036 23 0 "[ . 1 . 2 .]"
2 90 ASP 0.000 0.000 . 0 "[ . 1 . 2 .]"
2 91 VAL 0.071 0.022 4 0 "[ . 1 . 2 .]"
2 92 ILE 0.013 0.013 1 0 "[ . 1 . 2 .]"
2 93 ALA 0.009 0.009 19 0 "[ . 1 . 2 .]"
2 94 HIS 1.630 0.114 19 0 "[ . 1 . 2 .]"
2 95 LEU 1.308 0.136 25 0 "[ . 1 . 2 .]"
2 96 CYS 0.145 0.053 18 0 "[ . 1 . 2 .]"
2 97 GLU 0.558 0.087 17 0 "[ . 1 . 2 .]"
2 98 MET 1.630 0.114 19 0 "[ . 1 . 2 .]"
2 99 TYR 1.238 0.136 25 0 "[ . 1 . 2 .]"
2 100 ARG 0.145 0.053 18 0 "[ . 1 . 2 .]"
2 101 ARG 0.549 0.087 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 8 ALA O 1 12 LYS H 2.000 . 2.300 1.780 1.467 2.116 0.033 9 0 "[ . 1 . 2 .]" 8
2 1 8 ALA O 1 12 LYS N 3.000 2.400 3.300 2.700 2.370 3.023 0.030 9 0 "[ . 1 . 2 .]" 8
3 1 9 ASP O 1 13 LEU H 2.000 . 2.300 1.919 1.655 2.175 . 0 0 "[ . 1 . 2 .]" 8
4 1 9 ASP O 1 13 LEU N 3.000 2.400 3.300 2.778 2.489 3.043 . 0 0 "[ . 1 . 2 .]" 8
5 1 10 LYS O 1 14 LEU H 2.000 . 2.300 2.084 1.935 2.293 . 0 0 "[ . 1 . 2 .]" 8
6 1 10 LYS O 1 14 LEU N 3.000 2.400 3.300 2.887 2.739 3.040 . 0 0 "[ . 1 . 2 .]" 8
7 1 11 ARG O 1 15 ASP H 2.000 . 2.300 1.829 1.520 2.038 . 0 0 "[ . 1 . 2 .]" 8
8 1 11 ARG O 1 15 ASP N 3.000 2.400 3.300 2.717 2.448 2.928 . 0 0 "[ . 1 . 2 .]" 8
9 1 12 LYS O 1 16 GLU H 2.000 . 2.300 2.177 1.892 2.342 0.042 25 0 "[ . 1 . 2 .]" 8
10 1 12 LYS O 1 16 GLU N 3.000 2.400 3.300 3.081 2.797 3.248 . 0 0 "[ . 1 . 2 .]" 8
11 1 13 LEU O 1 17 LEU H 2.000 . 2.300 2.320 2.176 2.370 0.070 13 0 "[ . 1 . 2 .]" 8
12 1 13 LEU O 1 17 LEU N 3.000 2.400 3.300 3.196 3.011 3.252 . 0 0 "[ . 1 . 2 .]" 8
13 1 14 LEU O 1 18 ARG H 2.000 . 2.300 1.902 1.644 2.112 . 0 0 "[ . 1 . 2 .]" 8
14 1 14 LEU O 1 18 ARG N 3.000 2.400 3.300 2.773 2.497 3.005 . 0 0 "[ . 1 . 2 .]" 8
15 1 15 ASP O 1 19 SER H 2.000 . 2.300 2.255 2.072 2.369 0.069 19 0 "[ . 1 . 2 .]" 8
16 1 15 ASP O 1 19 SER N 3.000 2.400 3.300 3.163 2.973 3.299 . 0 0 "[ . 1 . 2 .]" 8
17 1 16 GLU O 1 20 ILE H 2.000 . 2.300 1.672 1.506 1.919 . 0 0 "[ . 1 . 2 .]" 8
18 1 16 GLU O 1 20 ILE N 3.000 2.400 3.300 2.640 2.472 2.881 . 0 0 "[ . 1 . 2 .]" 8
19 1 17 LEU O 1 21 TYR H 2.000 . 2.300 1.559 1.459 1.711 0.041 20 0 "[ . 1 . 2 .]" 8
20 1 17 LEU O 1 21 TYR N 3.000 2.400 3.300 2.489 2.378 2.642 0.022 20 0 "[ . 1 . 2 .]" 8
21 1 18 ARG O 1 22 ARG H 2.000 . 2.300 2.024 1.763 2.277 . 0 0 "[ . 1 . 2 .]" 8
22 1 18 ARG O 1 22 ARG N 3.000 2.400 3.300 2.904 2.646 3.174 . 0 0 "[ . 1 . 2 .]" 8
23 1 19 SER O 1 23 THR H 2.000 . 2.300 2.213 2.088 2.308 0.008 22 0 "[ . 1 . 2 .]" 8
24 1 19 SER O 1 23 THR N 3.000 2.400 3.300 3.017 2.912 3.118 . 0 0 "[ . 1 . 2 .]" 8
25 1 20 ILE O 1 24 ILE H 2.000 . 2.300 2.287 2.117 2.360 0.060 17 0 "[ . 1 . 2 .]" 8
26 1 20 ILE O 1 24 ILE N 3.000 2.400 3.300 3.130 2.975 3.228 . 0 0 "[ . 1 . 2 .]" 8
27 1 21 TYR O 1 25 VAL H 2.000 . 2.300 2.154 2.013 2.286 . 0 0 "[ . 1 . 2 .]" 8
28 1 21 TYR O 1 25 VAL N 3.000 2.400 3.300 3.098 2.961 3.222 . 0 0 "[ . 1 . 2 .]" 8
29 1 36 ASN O 1 40 ASP H 2.000 . 2.300 1.806 1.655 1.932 . 0 0 "[ . 1 . 2 .]" 8
30 1 36 ASN O 1 40 ASP N 3.000 2.400 3.300 2.664 2.520 2.827 . 0 0 "[ . 1 . 2 .]" 8
31 1 37 GLU O 1 41 GLU H 2.000 . 2.300 2.201 1.976 2.361 0.061 9 0 "[ . 1 . 2 .]" 8
32 1 37 GLU O 1 41 GLU N 3.000 2.400 3.300 3.123 2.906 3.283 . 0 0 "[ . 1 . 2 .]" 8
33 1 38 ARG O 1 42 PHE H 2.000 . 2.300 2.274 2.147 2.357 0.057 10 0 "[ . 1 . 2 .]" 8
34 1 38 ARG O 1 42 PHE N 3.000 2.400 3.300 3.190 3.054 3.289 . 0 0 "[ . 1 . 2 .]" 8
35 1 39 ILE O 1 43 VAL H 2.000 . 2.300 1.611 1.487 1.850 0.013 4 0 "[ . 1 . 2 .]" 8
36 1 39 ILE O 1 43 VAL N 3.000 2.400 3.300 2.563 2.442 2.787 . 0 0 "[ . 1 . 2 .]" 8
37 1 40 ASP O 1 44 SER H 2.000 . 2.300 1.628 1.535 1.853 . 0 0 "[ . 1 . 2 .]" 8
38 1 40 ASP O 1 44 SER N 3.000 2.400 3.300 2.499 2.421 2.659 . 0 0 "[ . 1 . 2 .]" 8
39 1 41 GLU O 1 45 LYS H 2.000 . 2.300 1.768 1.546 2.248 . 0 0 "[ . 1 . 2 .]" 8
40 1 41 GLU O 1 45 LYS N 3.000 2.400 3.300 2.725 2.508 3.170 . 0 0 "[ . 1 . 2 .]" 8
41 1 42 PHE O 1 46 ALA H 2.000 . 2.300 1.974 1.856 2.103 . 0 0 "[ . 1 . 2 .]" 8
42 1 42 PHE O 1 46 ALA N 3.000 2.400 3.300 2.916 2.786 3.054 . 0 0 "[ . 1 . 2 .]" 8
43 1 43 VAL O 1 47 PHE H 2.000 . 2.300 2.302 2.206 2.369 0.069 10 0 "[ . 1 . 2 .]" 8
44 1 43 VAL O 1 47 PHE N 3.000 2.400 3.300 3.169 3.022 3.305 0.005 13 0 "[ . 1 . 2 .]" 8
45 1 54 SER O 1 58 GLU H 2.000 . 2.300 2.196 2.022 2.280 . 0 0 "[ . 1 . 2 .]" 8
46 1 54 SER O 1 58 GLU N 3.000 2.400 3.300 3.075 2.899 3.164 . 0 0 "[ . 1 . 2 .]" 8
47 1 55 GLN O 1 59 ILE H 2.000 . 2.300 2.139 1.980 2.326 0.026 15 0 "[ . 1 . 2 .]" 8
48 1 55 GLN O 1 59 ILE N 3.000 2.400 3.300 3.073 2.935 3.235 . 0 0 "[ . 1 . 2 .]" 8
49 1 56 VAL O 1 60 HIS H 2.000 . 2.300 1.923 1.677 2.083 . 0 0 "[ . 1 . 2 .]" 8
50 1 56 VAL O 1 60 HIS N 3.000 2.400 3.300 2.772 2.520 2.922 . 0 0 "[ . 1 . 2 .]" 8
51 1 57 LEU O 1 61 VAL H 2.000 . 2.300 1.892 1.707 2.098 . 0 0 "[ . 1 . 2 .]" 8
52 1 57 LEU O 1 61 VAL N 3.000 2.400 3.300 2.854 2.682 3.039 . 0 0 "[ . 1 . 2 .]" 8
53 1 58 GLU O 1 62 GLU H 2.000 . 2.300 1.824 1.688 1.928 . 0 0 "[ . 1 . 2 .]" 8
54 1 58 GLU O 1 62 GLU N 3.000 2.400 3.300 2.783 2.651 2.877 . 0 0 "[ . 1 . 2 .]" 8
55 1 59 ILE O 1 63 LEU H 2.000 . 2.300 1.796 1.510 2.049 . 0 0 "[ . 1 . 2 .]" 8
56 1 59 ILE O 1 63 LEU N 3.000 2.400 3.300 2.660 2.378 2.909 0.022 17 0 "[ . 1 . 2 .]" 8
57 1 60 HIS O 1 64 MET H 2.000 . 2.300 1.514 1.458 1.637 0.042 17 0 "[ . 1 . 2 .]" 8
58 1 60 HIS O 1 64 MET N 3.000 2.400 3.300 2.489 2.419 2.613 . 0 0 "[ . 1 . 2 .]" 8
59 1 61 VAL O 1 65 ASP H 2.000 . 2.300 2.058 1.838 2.300 0.000 23 0 "[ . 1 . 2 .]" 8
60 1 61 VAL O 1 65 ASP N 3.000 2.400 3.300 2.851 2.659 3.083 . 0 0 "[ . 1 . 2 .]" 8
61 1 62 GLU O 1 66 THR H 2.000 . 2.300 1.968 1.773 2.124 . 0 0 "[ . 1 . 2 .]" 8
62 1 62 GLU O 1 66 THR N 3.000 2.400 3.300 2.857 2.726 3.008 . 0 0 "[ . 1 . 2 .]" 8
63 1 63 LEU O 1 67 PHE H 2.000 . 2.300 1.862 1.539 2.044 . 0 0 "[ . 1 . 2 .]" 8
64 1 63 LEU O 1 67 PHE N 3.000 2.400 3.300 2.819 2.506 3.008 . 0 0 "[ . 1 . 2 .]" 8
65 1 64 MET O 1 68 SER H 2.000 . 2.300 2.066 1.802 2.363 0.063 23 0 "[ . 1 . 2 .]" 8
66 1 64 MET O 1 68 SER N 3.000 2.400 3.300 2.921 2.674 3.218 . 0 0 "[ . 1 . 2 .]" 8
67 1 65 ASP O 1 69 LYS H 2.000 . 2.300 2.328 2.237 2.396 0.096 23 0 "[ . 1 . 2 .]" 8
68 1 65 ASP O 1 69 LYS N 3.000 2.400 3.300 3.248 3.114 3.336 0.036 23 0 "[ . 1 . 2 .]" 8
69 1 66 THR O 1 70 GLN H 2.000 . 2.300 2.284 2.075 2.452 0.152 24 0 "[ . 1 . 2 .]" 8
70 1 66 THR O 1 70 GLN N 3.000 2.400 3.300 3.121 2.875 3.302 0.002 24 0 "[ . 1 . 2 .]" 8
71 1 67 PHE O 1 71 LEU H 2.000 . 2.300 1.839 1.598 2.086 . 0 0 "[ . 1 . 2 .]" 8
72 1 67 PHE O 1 71 LEU N 3.000 2.400 3.300 2.777 2.566 3.037 . 0 0 "[ . 1 . 2 .]" 8
73 1 68 SER O 1 72 LYS H 2.000 . 2.300 2.357 2.275 2.402 0.102 15 0 "[ . 1 . 2 .]" 8
74 1 68 SER O 1 72 LYS N 3.000 2.400 3.300 3.308 3.193 3.363 0.063 11 0 "[ . 1 . 2 .]" 8
75 1 85 ARG O 1 89 ILE H 2.000 . 2.300 2.033 1.733 2.337 0.037 23 0 "[ . 1 . 2 .]" 8
76 1 85 ARG O 1 89 ILE N 3.000 2.400 3.300 3.000 2.679 3.302 0.002 23 0 "[ . 1 . 2 .]" 8
77 1 86 LEU O 1 90 ASP H 2.000 . 2.300 1.817 1.575 2.095 . 0 0 "[ . 1 . 2 .]" 8
78 1 86 LEU O 1 90 ASP N 3.000 2.400 3.300 2.717 2.500 2.973 . 0 0 "[ . 1 . 2 .]" 8
79 1 87 THR O 1 91 VAL H 2.000 . 2.300 1.744 1.556 2.075 . 0 0 "[ . 1 . 2 .]" 8
80 1 87 THR O 1 91 VAL N 3.000 2.400 3.300 2.653 2.459 2.972 . 0 0 "[ . 1 . 2 .]" 8
81 1 88 LEU O 1 92 ILE H 2.000 . 2.300 2.162 2.019 2.314 0.014 1 0 "[ . 1 . 2 .]" 8
82 1 88 LEU O 1 92 ILE N 3.000 2.400 3.300 3.133 2.992 3.282 . 0 0 "[ . 1 . 2 .]" 8
83 1 89 ILE O 1 93 ALA H 2.000 . 2.300 2.059 1.787 2.241 . 0 0 "[ . 1 . 2 .]" 8
84 1 89 ILE O 1 93 ALA N 3.000 2.400 3.300 2.890 2.631 3.077 . 0 0 "[ . 1 . 2 .]" 8
85 1 90 ASP O 1 94 HIS H 2.000 . 2.300 1.897 1.640 2.071 . 0 0 "[ . 1 . 2 .]" 8
86 1 90 ASP O 1 94 HIS N 3.000 2.400 3.300 2.745 2.580 2.934 . 0 0 "[ . 1 . 2 .]" 8
87 1 91 VAL O 1 95 LEU H 2.000 . 2.300 2.243 2.028 2.323 0.023 4 0 "[ . 1 . 2 .]" 8
88 1 91 VAL O 1 95 LEU N 3.000 2.400 3.300 3.211 3.006 3.284 . 0 0 "[ . 1 . 2 .]" 8
89 1 92 ILE O 1 96 CYS H 2.000 . 2.300 2.035 1.507 2.246 . 0 0 "[ . 1 . 2 .]" 8
90 1 92 ILE O 1 96 CYS N 3.000 2.400 3.300 2.922 2.419 3.160 . 0 0 "[ . 1 . 2 .]" 8
91 1 93 ALA O 1 97 GLU H 2.000 . 2.300 2.046 1.622 2.311 0.011 19 0 "[ . 1 . 2 .]" 8
92 1 93 ALA O 1 97 GLU N 3.000 2.400 3.300 2.851 2.428 3.137 . 0 0 "[ . 1 . 2 .]" 8
93 1 94 HIS O 1 98 MET H 2.000 . 2.300 2.359 2.185 2.414 0.114 19 0 "[ . 1 . 2 .]" 8
94 1 94 HIS O 1 98 MET N 3.000 2.400 3.300 3.185 3.010 3.247 . 0 0 "[ . 1 . 2 .]" 8
95 1 95 LEU O 1 99 TYR H 2.000 . 2.300 2.335 2.175 2.438 0.138 25 0 "[ . 1 . 2 .]" 8
96 1 95 LEU O 1 99 TYR N 3.000 2.400 3.300 3.151 2.993 3.340 0.040 25 0 "[ . 1 . 2 .]" 8
97 1 96 CYS O 1 100 ARG H 2.000 . 2.300 2.221 2.061 2.341 0.041 18 0 "[ . 1 . 2 .]" 8
98 1 96 CYS O 1 100 ARG N 3.000 2.400 3.300 3.159 3.025 3.305 0.005 20 0 "[ . 1 . 2 .]" 8
99 1 97 GLU O 1 101 ARG H 2.000 . 2.300 2.295 2.082 2.386 0.086 17 0 "[ . 1 . 2 .]" 8
100 1 97 GLU O 1 101 ARG N 3.000 2.400 3.300 3.188 3.002 3.282 . 0 0 "[ . 1 . 2 .]" 8
101 2 8 ALA O 2 12 LYS H 2.000 . 2.300 1.780 1.467 2.116 0.033 9 0 "[ . 1 . 2 .]" 8
102 2 8 ALA O 2 12 LYS N 3.000 2.400 3.300 2.700 2.370 3.021 0.030 9 0 "[ . 1 . 2 .]" 8
103 2 9 ASP O 2 13 LEU H 2.000 . 2.300 1.920 1.655 2.174 . 0 0 "[ . 1 . 2 .]" 8
104 2 9 ASP O 2 13 LEU N 3.000 2.400 3.300 2.779 2.488 3.042 . 0 0 "[ . 1 . 2 .]" 8
105 2 10 LYS O 2 14 LEU H 2.000 . 2.300 2.084 1.935 2.293 . 0 0 "[ . 1 . 2 .]" 8
106 2 10 LYS O 2 14 LEU N 3.000 2.400 3.300 2.888 2.740 3.041 . 0 0 "[ . 1 . 2 .]" 8
107 2 11 ARG O 2 15 ASP H 2.000 . 2.300 1.829 1.519 2.039 . 0 0 "[ . 1 . 2 .]" 8
108 2 11 ARG O 2 15 ASP N 3.000 2.400 3.300 2.717 2.449 2.928 . 0 0 "[ . 1 . 2 .]" 8
109 2 12 LYS O 2 16 GLU H 2.000 . 2.300 2.177 1.893 2.341 0.041 25 0 "[ . 1 . 2 .]" 8
110 2 12 LYS O 2 16 GLU N 3.000 2.400 3.300 3.081 2.798 3.249 . 0 0 "[ . 1 . 2 .]" 8
111 2 13 LEU O 2 17 LEU H 2.000 . 2.300 2.321 2.176 2.369 0.069 13 0 "[ . 1 . 2 .]" 8
112 2 13 LEU O 2 17 LEU N 3.000 2.400 3.300 3.196 3.012 3.252 . 0 0 "[ . 1 . 2 .]" 8
113 2 14 LEU O 2 18 ARG H 2.000 . 2.300 1.903 1.645 2.110 . 0 0 "[ . 1 . 2 .]" 8
114 2 14 LEU O 2 18 ARG N 3.000 2.400 3.300 2.773 2.497 3.002 . 0 0 "[ . 1 . 2 .]" 8
115 2 15 ASP O 2 19 SER H 2.000 . 2.300 2.254 2.072 2.369 0.069 19 0 "[ . 1 . 2 .]" 8
116 2 15 ASP O 2 19 SER N 3.000 2.400 3.300 3.163 2.973 3.298 . 0 0 "[ . 1 . 2 .]" 8
117 2 16 GLU O 2 20 ILE H 2.000 . 2.300 1.672 1.507 1.919 . 0 0 "[ . 1 . 2 .]" 8
118 2 16 GLU O 2 20 ILE N 3.000 2.400 3.300 2.640 2.472 2.882 . 0 0 "[ . 1 . 2 .]" 8
119 2 17 LEU O 2 21 TYR H 2.000 . 2.300 1.559 1.460 1.710 0.040 20 0 "[ . 1 . 2 .]" 8
120 2 17 LEU O 2 21 TYR N 3.000 2.400 3.300 2.490 2.378 2.642 0.022 20 0 "[ . 1 . 2 .]" 8
121 2 18 ARG O 2 22 ARG H 2.000 . 2.300 2.024 1.762 2.278 . 0 0 "[ . 1 . 2 .]" 8
122 2 18 ARG O 2 22 ARG N 3.000 2.400 3.300 2.904 2.645 3.173 . 0 0 "[ . 1 . 2 .]" 8
123 2 19 SER O 2 23 THR H 2.000 . 2.300 2.213 2.087 2.309 0.009 22 0 "[ . 1 . 2 .]" 8
124 2 19 SER O 2 23 THR N 3.000 2.400 3.300 3.017 2.913 3.119 . 0 0 "[ . 1 . 2 .]" 8
125 2 20 ILE O 2 24 ILE H 2.000 . 2.300 2.287 2.117 2.359 0.059 17 0 "[ . 1 . 2 .]" 8
126 2 20 ILE O 2 24 ILE N 3.000 2.400 3.300 3.130 2.975 3.227 . 0 0 "[ . 1 . 2 .]" 8
127 2 21 TYR O 2 25 VAL H 2.000 . 2.300 2.154 2.014 2.286 . 0 0 "[ . 1 . 2 .]" 8
128 2 21 TYR O 2 25 VAL N 3.000 2.400 3.300 3.098 2.962 3.223 . 0 0 "[ . 1 . 2 .]" 8
129 2 36 ASN O 2 40 ASP H 2.000 . 2.300 1.807 1.654 1.933 . 0 0 "[ . 1 . 2 .]" 8
130 2 36 ASN O 2 40 ASP N 3.000 2.400 3.300 2.664 2.519 2.829 . 0 0 "[ . 1 . 2 .]" 8
131 2 37 GLU O 2 41 GLU H 2.000 . 2.300 2.200 1.976 2.361 0.061 9 0 "[ . 1 . 2 .]" 8
132 2 37 GLU O 2 41 GLU N 3.000 2.400 3.300 3.123 2.905 3.283 . 0 0 "[ . 1 . 2 .]" 8
133 2 38 ARG O 2 42 PHE H 2.000 . 2.300 2.274 2.146 2.359 0.059 10 0 "[ . 1 . 2 .]" 8
134 2 38 ARG O 2 42 PHE N 3.000 2.400 3.300 3.191 3.054 3.290 . 0 0 "[ . 1 . 2 .]" 8
135 2 39 ILE O 2 43 VAL H 2.000 . 2.300 1.611 1.488 1.849 0.012 23 0 "[ . 1 . 2 .]" 8
136 2 39 ILE O 2 43 VAL N 3.000 2.400 3.300 2.563 2.441 2.786 . 0 0 "[ . 1 . 2 .]" 8
137 2 40 ASP O 2 44 SER H 2.000 . 2.300 1.628 1.534 1.853 . 0 0 "[ . 1 . 2 .]" 8
138 2 40 ASP O 2 44 SER N 3.000 2.400 3.300 2.498 2.421 2.659 . 0 0 "[ . 1 . 2 .]" 8
139 2 41 GLU O 2 45 LYS H 2.000 . 2.300 1.768 1.548 2.246 . 0 0 "[ . 1 . 2 .]" 8
140 2 41 GLU O 2 45 LYS N 3.000 2.400 3.300 2.725 2.509 3.169 . 0 0 "[ . 1 . 2 .]" 8
141 2 42 PHE O 2 46 ALA H 2.000 . 2.300 1.974 1.856 2.104 . 0 0 "[ . 1 . 2 .]" 8
142 2 42 PHE O 2 46 ALA N 3.000 2.400 3.300 2.916 2.787 3.054 . 0 0 "[ . 1 . 2 .]" 8
143 2 43 VAL O 2 47 PHE H 2.000 . 2.300 2.303 2.208 2.370 0.070 10 0 "[ . 1 . 2 .]" 8
144 2 43 VAL O 2 47 PHE N 3.000 2.400 3.300 3.169 3.023 3.308 0.008 13 0 "[ . 1 . 2 .]" 8
145 2 54 SER O 2 58 GLU H 2.000 . 2.300 2.196 2.021 2.281 . 0 0 "[ . 1 . 2 .]" 8
146 2 54 SER O 2 58 GLU N 3.000 2.400 3.300 3.075 2.899 3.164 . 0 0 "[ . 1 . 2 .]" 8
147 2 55 GLN O 2 59 ILE H 2.000 . 2.300 2.139 1.980 2.326 0.026 15 0 "[ . 1 . 2 .]" 8
148 2 55 GLN O 2 59 ILE N 3.000 2.400 3.300 3.073 2.936 3.235 . 0 0 "[ . 1 . 2 .]" 8
149 2 56 VAL O 2 60 HIS H 2.000 . 2.300 1.923 1.677 2.083 . 0 0 "[ . 1 . 2 .]" 8
150 2 56 VAL O 2 60 HIS N 3.000 2.400 3.300 2.772 2.520 2.922 . 0 0 "[ . 1 . 2 .]" 8
151 2 57 LEU O 2 61 VAL H 2.000 . 2.300 1.892 1.706 2.099 . 0 0 "[ . 1 . 2 .]" 8
152 2 57 LEU O 2 61 VAL N 3.000 2.400 3.300 2.854 2.682 3.039 . 0 0 "[ . 1 . 2 .]" 8
153 2 58 GLU O 2 62 GLU H 2.000 . 2.300 1.824 1.688 1.929 . 0 0 "[ . 1 . 2 .]" 8
154 2 58 GLU O 2 62 GLU N 3.000 2.400 3.300 2.783 2.650 2.878 . 0 0 "[ . 1 . 2 .]" 8
155 2 59 ILE O 2 63 LEU H 2.000 . 2.300 1.796 1.508 2.050 . 0 0 "[ . 1 . 2 .]" 8
156 2 59 ILE O 2 63 LEU N 3.000 2.400 3.300 2.660 2.377 2.910 0.023 17 0 "[ . 1 . 2 .]" 8
157 2 60 HIS O 2 64 MET H 2.000 . 2.300 1.514 1.460 1.636 0.040 17 0 "[ . 1 . 2 .]" 8
158 2 60 HIS O 2 64 MET N 3.000 2.400 3.300 2.489 2.421 2.613 . 0 0 "[ . 1 . 2 .]" 8
159 2 61 VAL O 2 65 ASP H 2.000 . 2.300 2.058 1.838 2.299 . 0 0 "[ . 1 . 2 .]" 8
160 2 61 VAL O 2 65 ASP N 3.000 2.400 3.300 2.851 2.661 3.084 . 0 0 "[ . 1 . 2 .]" 8
161 2 62 GLU O 2 66 THR H 2.000 . 2.300 1.968 1.773 2.124 . 0 0 "[ . 1 . 2 .]" 8
162 2 62 GLU O 2 66 THR N 3.000 2.400 3.300 2.857 2.726 3.007 . 0 0 "[ . 1 . 2 .]" 8
163 2 63 LEU O 2 67 PHE H 2.000 . 2.300 1.861 1.538 2.043 . 0 0 "[ . 1 . 2 .]" 8
164 2 63 LEU O 2 67 PHE N 3.000 2.400 3.300 2.819 2.506 3.005 . 0 0 "[ . 1 . 2 .]" 8
165 2 64 MET O 2 68 SER H 2.000 . 2.300 2.066 1.798 2.363 0.063 23 0 "[ . 1 . 2 .]" 8
166 2 64 MET O 2 68 SER N 3.000 2.400 3.300 2.921 2.672 3.218 . 0 0 "[ . 1 . 2 .]" 8
167 2 65 ASP O 2 69 LYS H 2.000 . 2.300 2.328 2.237 2.397 0.097 23 0 "[ . 1 . 2 .]" 8
168 2 65 ASP O 2 69 LYS N 3.000 2.400 3.300 3.248 3.115 3.337 0.037 23 0 "[ . 1 . 2 .]" 8
169 2 66 THR O 2 70 GLN H 2.000 . 2.300 2.284 2.075 2.455 0.155 24 0 "[ . 1 . 2 .]" 8
170 2 66 THR O 2 70 GLN N 3.000 2.400 3.300 3.121 2.875 3.304 0.004 24 0 "[ . 1 . 2 .]" 8
171 2 67 PHE O 2 71 LEU H 2.000 . 2.300 1.839 1.600 2.086 . 0 0 "[ . 1 . 2 .]" 8
172 2 67 PHE O 2 71 LEU N 3.000 2.400 3.300 2.777 2.568 3.038 . 0 0 "[ . 1 . 2 .]" 8
173 2 68 SER O 2 72 LYS H 2.000 . 2.300 2.357 2.274 2.402 0.102 15 0 "[ . 1 . 2 .]" 8
174 2 68 SER O 2 72 LYS N 3.000 2.400 3.300 3.308 3.191 3.361 0.061 11 0 "[ . 1 . 2 .]" 8
175 2 85 ARG O 2 89 ILE H 2.000 . 2.300 2.033 1.732 2.336 0.036 23 0 "[ . 1 . 2 .]" 8
176 2 85 ARG O 2 89 ILE N 3.000 2.400 3.300 2.999 2.678 3.302 0.002 23 0 "[ . 1 . 2 .]" 8
177 2 86 LEU O 2 90 ASP H 2.000 . 2.300 1.817 1.575 2.096 . 0 0 "[ . 1 . 2 .]" 8
178 2 86 LEU O 2 90 ASP N 3.000 2.400 3.300 2.717 2.500 2.973 . 0 0 "[ . 1 . 2 .]" 8
179 2 87 THR O 2 91 VAL H 2.000 . 2.300 1.744 1.557 2.077 . 0 0 "[ . 1 . 2 .]" 8
180 2 87 THR O 2 91 VAL N 3.000 2.400 3.300 2.653 2.459 2.972 . 0 0 "[ . 1 . 2 .]" 8
181 2 88 LEU O 2 92 ILE H 2.000 . 2.300 2.162 2.018 2.313 0.013 1 0 "[ . 1 . 2 .]" 8
182 2 88 LEU O 2 92 ILE N 3.000 2.400 3.300 3.134 2.991 3.282 . 0 0 "[ . 1 . 2 .]" 8
183 2 89 ILE O 2 93 ALA H 2.000 . 2.300 2.059 1.785 2.242 . 0 0 "[ . 1 . 2 .]" 8
184 2 89 ILE O 2 93 ALA N 3.000 2.400 3.300 2.890 2.629 3.076 . 0 0 "[ . 1 . 2 .]" 8
185 2 90 ASP O 2 94 HIS H 2.000 . 2.300 1.897 1.638 2.069 . 0 0 "[ . 1 . 2 .]" 8
186 2 90 ASP O 2 94 HIS N 3.000 2.400 3.300 2.745 2.579 2.936 . 0 0 "[ . 1 . 2 .]" 8
187 2 91 VAL O 2 95 LEU H 2.000 . 2.300 2.243 2.027 2.322 0.022 4 0 "[ . 1 . 2 .]" 8
188 2 91 VAL O 2 95 LEU N 3.000 2.400 3.300 3.211 3.005 3.287 . 0 0 "[ . 1 . 2 .]" 8
189 2 92 ILE O 2 96 CYS H 2.000 . 2.300 2.036 1.512 2.249 . 0 0 "[ . 1 . 2 .]" 8
190 2 92 ILE O 2 96 CYS N 3.000 2.400 3.300 2.917 2.419 3.154 . 0 0 "[ . 1 . 2 .]" 8
191 2 93 ALA O 2 97 GLU H 2.000 . 2.300 2.043 1.620 2.309 0.009 19 0 "[ . 1 . 2 .]" 8
192 2 93 ALA O 2 97 GLU N 3.000 2.400 3.300 2.848 2.426 3.132 . 0 0 "[ . 1 . 2 .]" 8
193 2 94 HIS O 2 98 MET H 2.000 . 2.300 2.359 2.187 2.414 0.114 19 0 "[ . 1 . 2 .]" 8
194 2 94 HIS O 2 98 MET N 3.000 2.400 3.300 3.185 3.010 3.246 . 0 0 "[ . 1 . 2 .]" 8
195 2 95 LEU O 2 99 TYR H 2.000 . 2.300 2.333 2.171 2.436 0.136 25 0 "[ . 1 . 2 .]" 8
196 2 95 LEU O 2 99 TYR N 3.000 2.400 3.300 3.150 2.991 3.338 0.038 25 0 "[ . 1 . 2 .]" 8
197 2 96 CYS O 2 100 ARG H 2.000 . 2.300 2.235 2.081 2.353 0.053 18 0 "[ . 1 . 2 .]" 8
198 2 96 CYS O 2 100 ARG N 3.000 2.400 3.300 3.172 3.044 3.314 0.014 20 0 "[ . 1 . 2 .]" 8
199 2 97 GLU O 2 101 ARG H 2.000 . 2.300 2.295 2.080 2.387 0.087 17 0 "[ . 1 . 2 .]" 8
200 2 97 GLU O 2 101 ARG N 3.000 2.400 3.300 3.188 3.002 3.283 . 0 0 "[ . 1 . 2 .]" 8
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