NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | in_dress | stage | program | type | subtype | subsubtype |
|
|
370252 |
1bno   |
4326 | cing | recoord | dress | 4-filtered-FRED | Wattos | check | violation | distance |
data_1bno
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 698
_Distance_constraint_stats_list.Viol_count 6
_Distance_constraint_stats_list.Viol_total 0.457
_Distance_constraint_stats_list.Viol_max 0.176
_Distance_constraint_stats_list.Viol_rms 0.0096
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0007
_Distance_constraint_stats_list.Viol_average_violations_only 0.0761
_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 5 LYS 0.000 0.000 . 0 "[ ]"
1 6 ALA 0.000 0.000 . 0 "[ ]"
1 7 PRO 0.000 0.000 . 0 "[ ]"
1 8 GLN 0.000 0.000 . 0 "[ ]"
1 9 GLU 0.000 0.000 . 0 "[ ]"
1 10 THR 0.000 0.000 . 0 "[ ]"
1 11 LEU 0.000 0.000 . 0 "[ ]"
1 12 ASN 0.000 0.000 . 0 "[ ]"
1 13 GLY 0.113 0.113 1 0 "[ ]"
1 14 GLY 0.000 0.000 . 0 "[ ]"
1 15 ILE 0.000 0.000 . 0 "[ ]"
1 16 THR 0.000 0.000 . 0 "[ ]"
1 17 ASP 0.000 0.000 . 0 "[ ]"
1 18 MET 0.000 0.000 . 0 "[ ]"
1 19 LEU 0.000 0.000 . 0 "[ ]"
1 20 VAL 0.000 0.000 . 0 "[ ]"
1 21 GLU 0.000 0.000 . 0 "[ ]"
1 22 LEU 0.000 0.000 . 0 "[ ]"
1 23 ALA 0.026 0.026 1 0 "[ ]"
1 24 ASN 0.001 0.001 1 0 "[ ]"
1 25 PHE 0.002 0.002 1 0 "[ ]"
1 26 GLU 0.027 0.026 1 0 "[ ]"
1 27 LYS 0.000 0.000 . 0 "[ ]"
1 28 ASN 0.000 0.000 . 0 "[ ]"
1 29 VAL 0.002 0.002 1 0 "[ ]"
1 30 SER 0.000 0.000 . 0 "[ ]"
1 31 GLN 0.000 0.000 . 0 "[ ]"
1 32 ALA 0.000 0.000 . 0 "[ ]"
1 33 ILE 0.176 0.176 1 0 "[ ]"
1 35 LYS 0.000 0.000 . 0 "[ ]"
1 36 TYR 0.176 0.176 1 0 "[ ]"
1 37 ASN 0.000 0.000 . 0 "[ ]"
1 38 ALA 0.000 0.000 . 0 "[ ]"
1 39 TYR 0.000 0.000 . 0 "[ ]"
1 40 ARG 0.000 0.000 . 0 "[ ]"
1 41 LYS 0.000 0.000 . 0 "[ ]"
1 42 ALA 0.000 0.000 . 0 "[ ]"
1 43 ALA 0.000 0.000 . 0 "[ ]"
1 44 SER 0.000 0.000 . 0 "[ ]"
1 45 VAL 0.000 0.000 . 0 "[ ]"
1 46 ILE 0.000 0.000 . 0 "[ ]"
1 47 ALA 0.000 0.000 . 0 "[ ]"
1 48 LYS 0.000 0.000 . 0 "[ ]"
1 49 TYR 0.139 0.139 1 0 "[ ]"
1 50 PRO 0.000 0.000 . 0 "[ ]"
1 51 HIS 0.139 0.139 1 0 "[ ]"
1 52 LYS 0.000 0.000 . 0 "[ ]"
1 53 ILE 0.113 0.113 1 0 "[ ]"
1 54 LYS 0.000 0.000 . 0 "[ ]"
1 55 SER 0.000 0.000 . 0 "[ ]"
1 56 GLY 0.000 0.000 . 0 "[ ]"
1 57 ALA 0.000 0.000 . 0 "[ ]"
1 58 GLU 0.000 0.000 . 0 "[ ]"
1 59 ALA 0.000 0.000 . 0 "[ ]"
1 60 LYS 0.000 0.000 . 0 "[ ]"
1 61 LYS 0.000 0.000 . 0 "[ ]"
1 62 LEU 0.000 0.000 . 0 "[ ]"
1 63 PRO 0.000 0.000 . 0 "[ ]"
1 64 GLY 0.000 0.000 . 0 "[ ]"
1 65 VAL 0.000 0.000 . 0 "[ ]"
1 66 GLY 0.000 0.000 . 0 "[ ]"
1 67 THR 0.000 0.000 . 0 "[ ]"
1 69 ILE 0.000 0.000 . 0 "[ ]"
1 70 ALA 0.000 0.000 . 0 "[ ]"
1 71 GLU 0.000 0.000 . 0 "[ ]"
1 72 LYS 0.000 0.000 . 0 "[ ]"
1 73 ILE 0.000 0.000 . 0 "[ ]"
1 74 ASP 0.000 0.000 . 0 "[ ]"
1 75 GLU 0.000 0.000 . 0 "[ ]"
1 76 PHE 0.000 0.000 . 0 "[ ]"
1 77 LEU 0.000 0.000 . 0 "[ ]"
1 78 ALA 0.000 0.000 . 0 "[ ]"
1 79 THR 0.000 0.000 . 0 "[ ]"
1 80 GLY 0.000 0.000 . 0 "[ ]"
1 81 LYS 0.000 0.000 . 0 "[ ]"
1 82 LEU 0.000 0.000 . 0 "[ ]"
1 83 ARG 0.000 0.000 . 0 "[ ]"
1 84 LYS 0.000 0.000 . 0 "[ ]"
1 85 LEU 0.000 0.000 . 0 "[ ]"
1 86 GLU 0.000 0.000 . 0 "[ ]"
1 87 LYS 0.000 0.000 . 0 "[ ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 5 LYS H 1 6 ALA H 4.000 . 5.000 3.350 3.350 3.350 . 0 0 "[ ]" 1
2 1 5 LYS H 1 5 LYS QB 3.000 . 4.600 2.958 2.958 2.958 . 0 0 "[ ]" 1
3 1 5 LYS H 1 5 LYS HA 3.000 . 4.000 2.872 2.872 2.872 . 0 0 "[ ]" 1
4 1 5 LYS HA 1 5 LYS QB 2.500 . 3.700 2.487 2.487 2.487 . 0 0 "[ ]" 1
5 1 5 LYS QB 1 6 ALA H 3.000 . 5.000 3.986 3.986 3.986 . 0 0 "[ ]" 1
6 1 6 ALA H 1 6 ALA HA 3.000 . 4.000 2.953 2.953 2.953 . 0 0 "[ ]" 1
7 1 6 ALA H 1 6 ALA MB 2.500 . 3.800 2.249 2.249 2.249 . 0 0 "[ ]" 1
8 1 7 PRO HA 1 7 PRO QD 3.000 . 4.000 3.394 3.394 3.394 . 0 0 "[ ]" 1
9 1 7 PRO QB 1 7 PRO QD 3.000 . 4.000 3.048 3.048 3.048 . 0 0 "[ ]" 1
10 1 6 ALA HA 1 7 PRO QD 2.500 . 2.700 2.025 2.025 2.025 . 0 0 "[ ]" 1
11 1 8 GLN H 1 8 GLN HA 3.000 . 4.000 2.954 2.954 2.954 . 0 0 "[ ]" 1
12 1 8 GLN HA 1 8 GLN HB3 3.000 . 4.000 2.652 2.652 2.652 . 0 0 "[ ]" 1
13 1 8 GLN HA 1 8 GLN HB2 3.000 . 4.000 2.997 2.997 2.997 . 0 0 "[ ]" 1
14 1 8 GLN HA 1 8 GLN QG 3.000 . 4.600 2.191 2.191 2.191 . 0 0 "[ ]" 1
15 1 8 GLN H 1 8 GLN QB 3.000 . 4.600 2.219 2.219 2.219 . 0 0 "[ ]" 1
16 1 8 GLN H 1 8 GLN QG 4.000 . 6.000 3.653 3.653 3.653 . 0 0 "[ ]" 1
17 1 8 GLN QB 1 9 GLU H 3.000 . 5.000 2.728 2.728 2.728 . 0 0 "[ ]" 1
18 1 8 GLN QG 1 9 GLU H 4.000 . 6.000 4.565 4.565 4.565 . 0 0 "[ ]" 1
19 1 9 GLU H 1 9 GLU HA 3.000 . 4.000 2.991 2.991 2.991 . 0 0 "[ ]" 1
20 1 9 GLU HA 1 9 GLU QG 3.000 . 4.600 2.639 2.639 2.639 . 0 0 "[ ]" 1
21 1 9 GLU H 1 9 GLU QB 3.000 . 4.600 2.655 2.655 2.655 . 0 0 "[ ]" 1
22 1 9 GLU H 1 9 GLU QG 4.000 . 6.000 2.791 2.791 2.791 . 0 0 "[ ]" 1
23 1 9 GLU QB 1 10 THR H 3.000 . 5.000 3.858 3.858 3.858 . 0 0 "[ ]" 1
24 1 9 GLU QG 1 10 THR H 4.000 . 6.000 4.464 4.464 4.464 . 0 0 "[ ]" 1
25 1 10 THR H 1 10 THR HB 4.000 . 5.000 4.007 4.007 4.007 . 0 0 "[ ]" 1
26 1 10 THR H 1 10 THR HA 3.000 . 4.000 2.343 2.343 2.343 . 0 0 "[ ]" 1
27 1 10 THR H 1 10 THR MG 3.000 . 5.500 2.511 2.511 2.511 . 0 0 "[ ]" 1
28 1 10 THR HA 1 10 THR HB 2.500 . 2.700 2.385 2.385 2.385 . 0 0 "[ ]" 1
29 1 10 THR MG 1 11 LEU H 3.000 . 5.500 3.792 3.792 3.792 . 0 0 "[ ]" 1
30 1 11 LEU HA 1 12 ASN H 4.000 . 5.000 3.585 3.585 3.585 . 0 0 "[ ]" 1
31 1 11 LEU QB 1 12 ASN H 4.000 . 6.000 1.958 1.958 1.958 . 0 0 "[ ]" 1
32 1 11 LEU H 1 11 LEU HA 3.000 . 4.000 2.955 2.955 2.955 . 0 0 "[ ]" 1
33 1 11 LEU HA 1 11 LEU QD 4.000 . 7.200 2.194 2.194 2.194 . 0 0 "[ ]" 1
34 1 11 LEU H 1 11 LEU QB 3.000 . 4.600 2.344 2.344 2.344 . 0 0 "[ ]" 1
35 1 11 LEU H 1 11 LEU QD 4.000 . 7.800 3.781 3.781 3.781 . 0 0 "[ ]" 1
36 1 12 ASN H 1 12 ASN HB3 4.000 . 5.000 3.775 3.775 3.775 . 0 0 "[ ]" 1
37 1 12 ASN H 1 12 ASN HB2 4.000 . 5.000 2.763 2.763 2.763 . 0 0 "[ ]" 1
38 1 12 ASN H 1 12 ASN HA 3.000 . 4.000 2.952 2.952 2.952 . 0 0 "[ ]" 1
39 1 12 ASN HA 1 12 ASN QB 2.500 . 3.700 2.492 2.492 2.492 . 0 0 "[ ]" 1
40 1 12 ASN H 1 12 ASN QD 4.000 . 6.000 4.229 4.229 4.229 . 0 0 "[ ]" 1
41 1 13 GLY QA 1 14 GLY H 4.000 . 6.000 2.209 2.209 2.209 . 0 0 "[ ]" 1
42 1 13 GLY QA 1 16 THR MG 4.000 . 7.500 5.476 5.476 5.476 . 0 0 "[ ]" 1
43 1 13 GLY H 1 53 ILE H 4.000 . 5.000 5.113 5.113 5.113 0.113 1 0 "[ ]" 1
44 1 14 GLY H 1 15 ILE H 4.000 . 5.000 2.365 2.365 2.365 . 0 0 "[ ]" 1
45 1 14 GLY QA 1 15 ILE H 4.000 . 6.000 2.735 2.735 2.735 . 0 0 "[ ]" 1
46 1 14 GLY H 1 15 ILE HB 4.000 . 5.000 4.799 4.799 4.799 . 0 0 "[ ]" 1
47 1 14 GLY H 1 15 ILE MG 4.000 . 6.500 5.568 5.568 5.568 . 0 0 "[ ]" 1
48 1 15 ILE H 1 73 ILE MD 4.000 . 7.500 6.104 6.104 6.104 . 0 0 "[ ]" 1
49 1 15 ILE MG 1 47 ALA MB 4.000 . 8.000 5.413 5.413 5.413 . 0 0 "[ ]" 1
50 1 15 ILE MD 1 76 PHE QE 4.000 . 8.500 5.210 5.210 5.210 . 0 0 "[ ]" 1
51 1 15 ILE MD 1 76 PHE QD 4.000 . 8.500 4.424 4.424 4.424 . 0 0 "[ ]" 1
52 1 15 ILE HB 1 76 PHE QE 4.000 . 7.000 5.419 5.419 5.419 . 0 0 "[ ]" 1
53 1 15 ILE HB 1 76 PHE QD 4.000 . 7.000 5.142 5.142 5.142 . 0 0 "[ ]" 1
54 1 15 ILE MD 1 77 LEU MD1 4.000 . 8.500 3.106 3.106 3.106 . 0 0 "[ ]" 1
55 1 15 ILE MG 1 43 ALA HA 4.000 . 6.500 4.626 4.626 4.626 . 0 0 "[ ]" 1
56 1 15 ILE MG 1 19 LEU HA 4.000 . 6.500 5.298 5.298 5.298 . 0 0 "[ ]" 1
57 1 15 ILE HA 1 73 ILE MD 4.000 . 6.500 4.026 4.026 4.026 . 0 0 "[ ]" 1
58 1 15 ILE MG 1 16 THR HB 4.000 . 6.500 4.431 4.431 4.431 . 0 0 "[ ]" 1
59 1 15 ILE MD 1 16 THR HB 4.000 . 6.500 5.227 5.227 5.227 . 0 0 "[ ]" 1
60 1 15 ILE HA 1 46 ILE QG 4.000 . 6.000 4.871 4.871 4.871 . 0 0 "[ ]" 1
61 1 15 ILE HA 1 16 THR H 3.000 . 4.000 3.547 3.547 3.547 . 0 0 "[ ]" 1
62 1 15 ILE HB 1 16 THR H 4.000 . 5.000 1.932 1.932 1.932 . 0 0 "[ ]" 1
63 1 15 ILE MD 1 16 THR H 4.000 . 6.500 3.845 3.845 3.845 . 0 0 "[ ]" 1
64 1 15 ILE H 1 16 THR H 3.000 . 4.000 2.731 2.731 2.731 . 0 0 "[ ]" 1
65 1 15 ILE H 1 17 ASP H 4.000 . 5.000 3.654 3.654 3.654 . 0 0 "[ ]" 1
66 1 15 ILE MG 1 17 ASP H 4.000 . 6.500 4.621 4.621 4.621 . 0 0 "[ ]" 1
67 1 15 ILE QG 1 15 ILE MG 3.000 . 5.600 2.191 2.191 2.191 . 0 0 "[ ]" 1
68 1 15 ILE MD 1 15 ILE MG 3.000 . 6.000 2.013 2.013 2.013 . 0 0 "[ ]" 1
69 1 15 ILE H 1 15 ILE HB 3.000 . 4.000 2.626 2.626 2.626 . 0 0 "[ ]" 1
70 1 15 ILE H 1 15 ILE QG 4.000 . 6.000 1.921 1.921 1.921 . 0 0 "[ ]" 1
71 1 15 ILE H 1 15 ILE MG 4.000 . 6.500 3.730 3.730 3.730 . 0 0 "[ ]" 1
72 1 15 ILE H 1 15 ILE MD 4.000 . 6.500 3.527 3.527 3.527 . 0 0 "[ ]" 1
73 1 15 ILE HA 1 15 ILE HB 3.000 . 4.000 3.026 3.026 3.026 . 0 0 "[ ]" 1
74 1 16 THR HB 1 43 ALA MB 3.000 . 5.500 4.372 4.372 4.372 . 0 0 "[ ]" 1
75 1 16 THR HA 1 43 ALA MB 4.000 . 6.500 3.554 3.554 3.554 . 0 0 "[ ]" 1
76 1 16 THR HA 1 47 ALA MB 4.000 . 6.500 3.679 3.679 3.679 . 0 0 "[ ]" 1
77 1 16 THR HA 1 46 ILE MG 4.000 . 6.500 2.254 2.254 2.254 . 0 0 "[ ]" 1
78 1 16 THR HA 1 46 ILE MD 4.000 . 6.500 5.431 5.431 5.431 . 0 0 "[ ]" 1
79 1 15 ILE MD 1 16 THR HA 4.000 . 6.500 5.469 5.469 5.469 . 0 0 "[ ]" 1
80 1 15 ILE HB 1 16 THR HA 4.000 . 5.000 3.954 3.954 3.954 . 0 0 "[ ]" 1
81 1 16 THR HB 1 47 ALA MB 4.000 . 6.500 2.219 2.219 2.219 . 0 0 "[ ]" 1
82 1 15 ILE HB 1 16 THR MG 4.000 . 6.500 3.298 3.298 3.298 . 0 0 "[ ]" 1
83 1 16 THR MG 1 20 VAL QG 4.000 . 9.400 3.911 3.911 3.911 . 0 0 "[ ]" 1
84 1 16 THR H 1 17 ASP H 3.000 . 3.200 2.763 2.763 2.763 . 0 0 "[ ]" 1
85 1 16 THR HA 1 17 ASP H 4.000 . 5.000 3.465 3.465 3.465 . 0 0 "[ ]" 1
86 1 16 THR HB 1 17 ASP H 4.000 . 5.000 4.331 4.331 4.331 . 0 0 "[ ]" 1
87 1 16 THR H 1 16 THR HB 4.000 . 5.000 2.752 2.752 2.752 . 0 0 "[ ]" 1
88 1 16 THR H 1 16 THR MG 4.000 . 7.500 1.925 1.925 1.925 . 0 0 "[ ]" 1
89 1 16 THR HA 1 16 THR HB 3.000 . 4.000 2.367 2.367 2.367 . 0 0 "[ ]" 1
90 1 16 THR HA 1 16 THR MG 3.000 . 5.100 3.184 3.184 3.184 . 0 0 "[ ]" 1
91 1 17 ASP HA 1 20 VAL HB 4.000 . 5.000 3.209 3.209 3.209 . 0 0 "[ ]" 1
92 1 17 ASP HA 1 20 VAL MG2 4.000 . 6.000 3.743 3.743 3.743 . 0 0 "[ ]" 1
93 1 16 THR MG 1 17 ASP H 4.000 . 6.500 2.372 2.372 2.372 . 0 0 "[ ]" 1
94 1 17 ASP H 1 18 MET H 3.000 . 4.000 2.671 2.671 2.671 . 0 0 "[ ]" 1
95 1 17 ASP H 1 20 VAL H 4.000 . 5.000 4.630 4.630 4.630 . 0 0 "[ ]" 1
96 1 17 ASP H 1 19 LEU H 4.000 . 5.000 3.682 3.682 3.682 . 0 0 "[ ]" 1
97 1 17 ASP QB 1 18 MET H 4.000 . 6.000 2.491 2.491 2.491 . 0 0 "[ ]" 1
98 1 17 ASP H 1 17 ASP QB 3.000 . 5.000 2.172 2.172 2.172 . 0 0 "[ ]" 1
99 1 18 MET HA 1 21 GLU QB 4.000 . 6.000 2.048 2.048 2.048 . 0 0 "[ ]" 1
100 1 18 MET H 1 19 LEU H 3.000 . 4.000 2.515 2.515 2.515 . 0 0 "[ ]" 1
101 1 18 MET HA 1 19 LEU H 4.000 . 5.000 3.466 3.466 3.466 . 0 0 "[ ]" 1
102 1 18 MET HA 1 21 GLU H 4.000 . 5.000 3.121 3.121 3.121 . 0 0 "[ ]" 1
103 1 18 MET H 1 20 VAL H 4.000 . 5.000 4.240 4.240 4.240 . 0 0 "[ ]" 1
104 1 18 MET QB 1 19 LEU H 4.000 . 6.000 3.067 3.067 3.067 . 0 0 "[ ]" 1
105 1 18 MET ME 1 76 PHE QE 4.000 . 8.900 4.141 4.141 4.141 . 0 0 "[ ]" 1
106 1 18 MET QG 1 76 PHE QE 4.000 . 8.900 3.722 3.722 3.722 . 0 0 "[ ]" 1
107 1 19 LEU H 1 20 VAL MG1 4.000 . 6.500 5.599 5.599 5.599 . 0 0 "[ ]" 1
108 1 19 LEU H 1 20 VAL MG2 4.000 . 6.500 3.944 3.944 3.944 . 0 0 "[ ]" 1
109 1 19 LEU H 1 20 VAL H 3.000 . 4.000 2.357 2.357 2.357 . 0 0 "[ ]" 1
110 1 19 LEU H 1 21 GLU H 4.000 . 5.000 3.484 3.484 3.484 . 0 0 "[ ]" 1
111 1 19 LEU MD2 1 38 ALA MB 4.000 . 8.000 4.558 4.558 4.558 . 0 0 "[ ]" 1
112 1 19 LEU HA 1 22 LEU QB 4.000 . 6.000 3.617 3.617 3.617 . 0 0 "[ ]" 1
113 1 19 LEU HA 1 43 ALA MB 4.000 . 6.500 4.220 4.220 4.220 . 0 0 "[ ]" 1
114 1 16 THR HA 1 19 LEU QD 4.000 . 7.900 3.329 3.329 3.329 . 0 0 "[ ]" 1
115 1 19 LEU QD 1 39 TYR HB2 4.000 . 7.900 3.077 3.077 3.077 . 0 0 "[ ]" 1
116 1 19 LEU QD 1 39 TYR HB3 4.000 . 7.900 1.846 1.846 1.846 . 0 0 "[ ]" 1
117 1 19 LEU MD1 1 39 TYR QE 4.000 . 8.900 6.340 6.340 6.340 . 0 0 "[ ]" 1
118 1 19 LEU MD2 1 39 TYR QD 4.000 . 8.900 2.499 2.499 2.499 . 0 0 "[ ]" 1
119 1 19 LEU HA 1 19 LEU HG 4.000 . 6.000 2.209 2.209 2.209 . 0 0 "[ ]" 1
120 1 19 LEU HA 1 19 LEU MD2 4.000 . 6.000 2.465 2.465 2.465 . 0 0 "[ ]" 1
121 1 19 LEU H 1 19 LEU MD1 4.000 . 6.500 4.118 4.118 4.118 . 0 0 "[ ]" 1
122 1 19 LEU H 1 19 LEU MD2 4.000 . 6.500 4.263 4.263 4.263 . 0 0 "[ ]" 1
123 1 20 VAL H 1 21 GLU H 3.000 . 4.000 2.518 2.518 2.518 . 0 0 "[ ]" 1
124 1 20 VAL HA 1 23 ALA H 4.000 . 5.000 3.224 3.224 3.224 . 0 0 "[ ]" 1
125 1 20 VAL H 1 22 LEU H 4.000 . 5.000 4.446 4.446 4.446 . 0 0 "[ ]" 1
126 1 17 ASP HA 1 20 VAL H 4.000 . 5.000 3.875 3.875 3.875 . 0 0 "[ ]" 1
127 1 19 LEU MD1 1 20 VAL H 4.000 . 6.500 4.649 4.649 4.649 . 0 0 "[ ]" 1
128 1 19 LEU MD2 1 20 VAL H 4.000 . 6.500 3.845 3.845 3.845 . 0 0 "[ ]" 1
129 1 19 LEU HA 1 20 VAL H 4.000 . 5.000 3.514 3.514 3.514 . 0 0 "[ ]" 1
130 1 20 VAL MG2 1 43 ALA HA 4.000 . 6.500 4.123 4.123 4.123 . 0 0 "[ ]" 1
131 1 20 VAL MG2 1 23 ALA MB 4.000 . 8.000 3.843 3.843 3.843 . 0 0 "[ ]" 1
132 1 20 VAL HA 1 23 ALA MB 4.000 . 6.500 2.435 2.435 2.435 . 0 0 "[ ]" 1
133 1 20 VAL MG2 1 40 ARG QD 4.000 . 7.000 5.071 5.071 5.071 . 0 0 "[ ]" 1
134 1 20 VAL HA 1 20 VAL HB 3.000 . 4.000 3.038 3.038 3.038 . 0 0 "[ ]" 1
135 1 20 VAL H 1 20 VAL HB 4.000 . 5.000 2.431 2.431 2.431 . 0 0 "[ ]" 1
136 1 20 VAL H 1 20 VAL MG1 4.000 . 6.000 3.740 3.740 3.740 . 0 0 "[ ]" 1
137 1 20 VAL H 1 20 VAL MG2 4.000 . 6.000 2.154 2.154 2.154 . 0 0 "[ ]" 1
138 1 21 GLU HA 1 24 ASN HB2 4.000 . 5.000 2.877 2.877 2.877 . 0 0 "[ ]" 1
139 1 21 GLU HA 1 24 ASN HB3 4.000 . 5.000 3.038 3.038 3.038 . 0 0 "[ ]" 1
140 1 20 VAL MG1 1 21 GLU HA 4.000 . 6.500 3.731 3.731 3.731 . 0 0 "[ ]" 1
141 1 20 VAL MG1 1 21 GLU H 4.000 . 6.500 3.791 3.791 3.791 . 0 0 "[ ]" 1
142 1 20 VAL MG2 1 21 GLU H 4.000 . 6.500 4.005 4.005 4.005 . 0 0 "[ ]" 1
143 1 21 GLU H 1 22 LEU H 3.000 . 4.000 2.665 2.665 2.665 . 0 0 "[ ]" 1
144 1 21 GLU HA 1 22 LEU H 4.000 . 5.000 3.581 3.581 3.581 . 0 0 "[ ]" 1
145 1 21 GLU HA 1 24 ASN H 4.000 . 5.000 3.242 3.242 3.242 . 0 0 "[ ]" 1
146 1 21 GLU HA 1 23 ALA H 4.000 . 5.000 4.271 4.271 4.271 . 0 0 "[ ]" 1
147 1 21 GLU H 1 23 ALA H 4.000 . 5.000 3.936 3.936 3.936 . 0 0 "[ ]" 1
148 1 21 GLU HA 1 24 ASN QB 4.000 . 6.000 2.628 2.628 2.628 . 0 0 "[ ]" 1
149 1 20 VAL HB 1 21 GLU H 4.000 . 5.000 3.079 3.079 3.079 . 0 0 "[ ]" 1
150 1 21 GLU QB 1 22 LEU H 4.000 . 6.000 2.487 2.487 2.487 . 0 0 "[ ]" 1
151 1 21 GLU H 1 21 GLU QB 3.000 . 4.600 2.158 2.158 2.158 . 0 0 "[ ]" 1
152 1 22 LEU HA 1 25 PHE HB2 4.000 . 5.000 3.619 3.619 3.619 . 0 0 "[ ]" 1
153 1 19 LEU HA 1 22 LEU MD1 4.000 . 6.200 4.632 4.632 4.632 . 0 0 "[ ]" 1
154 1 22 LEU MD2 1 25 PHE HB2 4.000 . 7.500 2.875 2.875 2.875 . 0 0 "[ ]" 1
155 1 22 LEU MD2 1 25 PHE HB3 4.000 . 7.500 4.037 4.037 4.037 . 0 0 "[ ]" 1
156 1 22 LEU MD1 1 25 PHE HB2 4.000 . 7.500 5.411 5.411 5.411 . 0 0 "[ ]" 1
157 1 22 LEU MD1 1 25 PHE HB3 4.000 . 7.500 6.393 6.393 6.393 . 0 0 "[ ]" 1
158 1 22 LEU MD1 1 39 TYR QD 4.000 . 8.900 2.884 2.884 2.884 . 0 0 "[ ]" 1
159 1 22 LEU MD2 1 39 TYR QD 4.000 . 8.900 2.602 2.602 2.602 . 0 0 "[ ]" 1
160 1 22 LEU MD1 1 25 PHE QE 4.000 . 8.900 3.273 3.273 3.273 . 0 0 "[ ]" 1
161 1 22 LEU MD2 1 25 PHE QE 4.000 . 8.900 3.365 3.365 3.365 . 0 0 "[ ]" 1
162 1 22 LEU MD1 1 38 ALA MB 4.000 . 7.000 4.692 4.692 4.692 . 0 0 "[ ]" 1
163 1 22 LEU MD2 1 38 ALA MB 4.000 . 8.000 4.996 4.996 4.996 . 0 0 "[ ]" 1
164 1 22 LEU H 1 23 ALA H 3.000 . 4.000 2.628 2.628 2.628 . 0 0 "[ ]" 1
165 1 22 LEU HA 1 23 ALA H 4.000 . 5.000 3.532 3.532 3.532 . 0 0 "[ ]" 1
166 1 22 LEU H 1 24 ASN H 4.000 . 5.000 3.928 3.928 3.928 . 0 0 "[ ]" 1
167 1 22 LEU QB 1 23 ALA H 4.000 . 6.000 2.667 2.667 2.667 . 0 0 "[ ]" 1
168 1 22 LEU H 1 22 LEU QB 3.000 . 4.600 2.246 2.246 2.246 . 0 0 "[ ]" 1
169 1 22 LEU H 1 22 LEU QD 4.000 . 6.700 3.789 3.789 3.789 . 0 0 "[ ]" 1
170 1 22 LEU HA 1 22 LEU HG 4.000 . 5.500 2.219 2.219 2.219 . 0 0 "[ ]" 1
171 1 22 LEU HA 1 22 LEU QD 4.000 . 7.400 2.699 2.699 2.699 . 0 0 "[ ]" 1
172 1 23 ALA MB 1 39 TYR HB2 4.000 . 5.500 2.863 2.863 2.863 . 0 0 "[ ]" 1
173 1 23 ALA MB 1 39 TYR HB3 4.000 . 6.500 3.551 3.551 3.551 . 0 0 "[ ]" 1
174 1 23 ALA MB 1 36 TYR QE 4.000 . 6.200 1.949 1.949 1.949 . 0 0 "[ ]" 1
175 1 23 ALA MB 1 36 TYR QD 4.000 . 8.500 3.390 3.390 3.390 . 0 0 "[ ]" 1
176 1 23 ALA MB 1 29 VAL HB 4.000 . 6.500 5.462 5.462 5.462 . 0 0 "[ ]" 1
177 1 23 ALA MB 1 36 TYR HA 4.000 . 6.500 4.906 4.906 4.906 . 0 0 "[ ]" 1
178 1 20 VAL MG2 1 23 ALA H 4.000 . 6.500 5.062 5.062 5.062 . 0 0 "[ ]" 1
179 1 23 ALA H 1 24 ASN H 3.000 . 4.000 2.529 2.529 2.529 . 0 0 "[ ]" 1
180 1 23 ALA HA 1 24 ASN H 4.000 . 5.000 3.490 3.490 3.490 . 0 0 "[ ]" 1
181 1 23 ALA HA 1 26 GLU H 4.000 . 5.000 5.026 5.026 5.026 0.026 1 0 "[ ]" 1
182 1 23 ALA MB 1 24 ASN H 4.000 . 6.500 2.916 2.916 2.916 . 0 0 "[ ]" 1
183 1 20 VAL HB 1 23 ALA MB 4.000 . 6.500 4.852 4.852 4.852 . 0 0 "[ ]" 1
184 1 20 VAL MG1 1 23 ALA MB 4.000 . 7.500 2.992 2.992 2.992 . 0 0 "[ ]" 1
185 1 23 ALA MB 1 24 ASN QB 4.000 . 7.500 3.844 3.844 3.844 . 0 0 "[ ]" 1
186 1 23 ALA MB 1 25 PHE H 4.000 . 6.500 4.360 4.360 4.360 . 0 0 "[ ]" 1
187 1 23 ALA MB 1 39 TYR H 4.000 . 6.500 5.122 5.122 5.122 . 0 0 "[ ]" 1
188 1 23 ALA MB 1 39 TYR QD 4.000 . 7.500 3.639 3.639 3.639 . 0 0 "[ ]" 1
189 1 23 ALA MB 1 39 TYR QE 4.000 . 7.500 5.359 5.359 5.359 . 0 0 "[ ]" 1
190 1 23 ALA MB 1 40 ARG H 4.000 . 6.500 4.559 4.559 4.559 . 0 0 "[ ]" 1
191 1 23 ALA HA 1 25 PHE H 4.000 . 5.000 3.753 3.753 3.753 . 0 0 "[ ]" 1
192 1 23 ALA HA 1 39 TYR QD 4.000 . 6.000 3.365 3.365 3.365 . 0 0 "[ ]" 1
193 1 23 ALA HA 1 39 TYR QE 4.000 . 6.000 4.856 4.856 4.856 . 0 0 "[ ]" 1
194 1 23 ALA HA 1 36 TYR QD 4.000 . 6.000 2.448 2.448 2.448 . 0 0 "[ ]" 1
195 1 23 ALA HA 1 36 TYR QE 4.000 . 6.000 1.988 1.988 1.988 . 0 0 "[ ]" 1
196 1 20 VAL HB 1 23 ALA H 4.000 . 6.000 5.487 5.487 5.487 . 0 0 "[ ]" 1
197 1 22 LEU MD1 1 23 ALA H 4.000 . 6.500 4.757 4.757 4.757 . 0 0 "[ ]" 1
198 1 22 LEU MD2 1 23 ALA H 4.000 . 6.500 3.545 3.545 3.545 . 0 0 "[ ]" 1
199 1 23 ALA H 1 23 ALA MB 3.000 . 4.600 2.084 2.084 2.084 . 0 0 "[ ]" 1
200 1 24 ASN H 1 25 PHE H 3.000 . 4.000 2.508 2.508 2.508 . 0 0 "[ ]" 1
201 1 24 ASN HA 1 25 PHE H 4.000 . 5.000 3.371 3.371 3.371 . 0 0 "[ ]" 1
202 1 24 ASN H 1 26 GLU H 4.000 . 5.000 5.001 5.001 5.001 0.001 1 0 "[ ]" 1
203 1 24 ASN QB 1 25 PHE H 4.000 . 6.000 3.321 3.321 3.321 . 0 0 "[ ]" 1
204 1 25 PHE HA 1 28 ASN QB 4.000 . 6.000 5.430 5.430 5.430 . 0 0 "[ ]" 1
205 1 25 PHE HA 1 29 VAL HB 4.000 . 5.000 5.002 5.002 5.002 0.002 1 0 "[ ]" 1
206 1 25 PHE QE 1 29 VAL MG1 3.000 . 7.500 5.370 5.370 5.370 . 0 0 "[ ]" 1
207 1 25 PHE QE 1 29 VAL MG2 3.000 . 7.500 3.869 3.869 3.869 . 0 0 "[ ]" 1
208 1 25 PHE QE 1 29 VAL HB 4.000 . 7.000 4.851 4.851 4.851 . 0 0 "[ ]" 1
209 1 25 PHE QD 1 29 VAL MG1 4.000 . 8.500 3.866 3.866 3.866 . 0 0 "[ ]" 1
210 1 25 PHE QD 1 29 VAL MG2 4.000 . 8.500 3.059 3.059 3.059 . 0 0 "[ ]" 1
211 1 25 PHE QD 1 29 VAL HB 4.000 . 7.000 2.879 2.879 2.879 . 0 0 "[ ]" 1
212 1 22 LEU QD 1 25 PHE QD 4.000 . 9.400 1.887 1.887 1.887 . 0 0 "[ ]" 1
213 1 25 PHE H 1 26 GLU H 3.000 . 4.000 3.069 3.069 3.069 . 0 0 "[ ]" 1
214 1 25 PHE HA 1 26 GLU H 4.000 . 5.000 3.573 3.573 3.573 . 0 0 "[ ]" 1
215 1 22 LEU HA 1 25 PHE H 4.000 . 5.000 3.439 3.439 3.439 . 0 0 "[ ]" 1
216 1 22 LEU HA 1 25 PHE QB 4.000 . 6.000 3.545 3.545 3.545 . 0 0 "[ ]" 1
217 1 25 PHE QB 1 26 GLU H 4.000 . 6.000 2.654 2.654 2.654 . 0 0 "[ ]" 1
218 1 25 PHE H 1 25 PHE QD 4.000 . 7.000 3.250 3.250 3.250 . 0 0 "[ ]" 1
219 1 25 PHE HA 1 25 PHE QD 3.000 . 6.000 2.574 2.574 2.574 . 0 0 "[ ]" 1
220 1 26 GLU H 1 26 GLU QG 4.000 . 6.000 3.870 3.870 3.870 . 0 0 "[ ]" 1
221 1 26 GLU H 1 27 LYS H 4.000 . 5.000 2.807 2.807 2.807 . 0 0 "[ ]" 1
222 1 27 LYS H 1 28 ASN H 4.000 . 5.000 2.746 2.746 2.746 . 0 0 "[ ]" 1
223 1 27 LYS HA 1 28 ASN H 4.000 . 5.000 3.558 3.558 3.558 . 0 0 "[ ]" 1
224 1 25 PHE QE 1 27 LYS H 4.000 . 7.000 5.939 5.939 5.939 . 0 0 "[ ]" 1
225 1 28 ASN H 1 28 ASN QD 4.000 . 6.000 4.051 4.051 4.051 . 0 0 "[ ]" 1
226 1 28 ASN H 1 29 VAL H 4.000 . 5.000 2.447 2.447 2.447 . 0 0 "[ ]" 1
227 1 28 ASN QD 1 29 VAL QG 4.000 . 8.900 4.622 4.622 4.622 . 0 0 "[ ]" 1
228 1 28 ASN H 1 29 VAL QG 3.000 . 6.900 4.164 4.164 4.164 . 0 0 "[ ]" 1
229 1 29 VAL H 1 30 SER H 4.000 . 5.000 3.243 3.243 3.243 . 0 0 "[ ]" 1
230 1 29 VAL HA 1 30 SER H 4.000 . 5.000 2.494 2.494 2.494 . 0 0 "[ ]" 1
231 1 29 VAL HB 1 30 SER H 4.000 . 5.000 4.391 4.391 4.391 . 0 0 "[ ]" 1
232 1 29 VAL QG 1 30 SER H 4.000 . 7.900 3.533 3.533 3.533 . 0 0 "[ ]" 1
233 1 29 VAL H 1 36 TYR QD 4.000 . 7.000 5.980 5.980 5.980 . 0 0 "[ ]" 1
234 1 29 VAL HA 1 29 VAL QG 3.000 . 6.900 2.108 2.108 2.108 . 0 0 "[ ]" 1
235 1 25 PHE HA 1 29 VAL QG 4.000 . 7.900 5.112 5.112 5.112 . 0 0 "[ ]" 1
236 1 28 ASN QB 1 29 VAL QG 4.000 . 8.900 2.415 2.415 2.415 . 0 0 "[ ]" 1
237 1 23 ALA MB 1 29 VAL QG 4.000 . 8.900 4.018 4.018 4.018 . 0 0 "[ ]" 1
238 1 30 SER H 1 30 SER HA 3.000 . 4.000 2.945 2.945 2.945 . 0 0 "[ ]" 1
239 1 30 SER HA 1 30 SER QB 2.500 . 3.700 2.264 2.264 2.264 . 0 0 "[ ]" 1
240 1 29 VAL HB 1 30 SER QB 4.000 . 6.000 5.522 5.522 5.522 . 0 0 "[ ]" 1
241 1 29 VAL QG 1 30 SER QB 4.000 . 8.400 4.636 4.636 4.636 . 0 0 "[ ]" 1
242 1 30 SER QB 1 31 GLN H 4.000 . 6.000 2.154 2.154 2.154 . 0 0 "[ ]" 1
243 1 31 GLN HA 1 32 ALA H 4.000 . 5.000 2.221 2.221 2.221 . 0 0 "[ ]" 1
244 1 31 GLN QB 1 32 ALA H 4.000 . 5.000 2.952 2.952 2.952 . 0 0 "[ ]" 1
245 1 31 GLN H 1 31 GLN QG 4.000 . 6.000 3.392 3.392 3.392 . 0 0 "[ ]" 1
246 1 31 GLN QE 1 33 ILE MD 4.000 . 7.500 5.163 5.163 5.163 . 0 0 "[ ]" 1
247 1 32 ALA HA 1 33 ILE H 4.000 . 5.000 2.948 2.948 2.948 . 0 0 "[ ]" 1
248 1 32 ALA MB 1 33 ILE H 4.000 . 5.000 3.616 3.616 3.616 . 0 0 "[ ]" 1
249 1 32 ALA H 1 32 ALA HA 3.000 . 4.000 2.343 2.343 2.343 . 0 0 "[ ]" 1
250 1 32 ALA H 1 32 ALA MB 3.000 . 5.100 3.016 3.016 3.016 . 0 0 "[ ]" 1
251 1 32 ALA H 1 33 ILE MG 4.000 . 6.500 5.618 5.618 5.618 . 0 0 "[ ]" 1
252 1 32 ALA H 1 33 ILE MD 4.000 . 6.500 3.718 3.718 3.718 . 0 0 "[ ]" 1
253 1 33 ILE HA 1 36 TYR HB3 3.000 . 4.000 4.176 4.176 4.176 0.176 1 0 "[ ]" 1
254 1 33 ILE HA 1 36 TYR HB2 4.000 . 5.000 4.679 4.679 4.679 . 0 0 "[ ]" 1
255 1 33 ILE H 1 36 TYR QD 4.000 . 7.000 2.495 2.495 2.495 . 0 0 "[ ]" 1
256 1 29 VAL HB 1 33 ILE MD 4.000 . 6.500 5.439 5.439 5.439 . 0 0 "[ ]" 1
257 1 33 ILE MD 1 36 TYR HB3 4.000 . 6.500 3.894 3.894 3.894 . 0 0 "[ ]" 1
258 1 33 ILE H 1 33 ILE MD 4.000 . 6.000 2.591 2.591 2.591 . 0 0 "[ ]" 1
259 1 33 ILE H 1 33 ILE HB 4.000 . 5.000 3.002 3.002 3.002 . 0 0 "[ ]" 1
260 1 33 ILE HA 1 33 ILE HB 3.000 . 4.000 2.958 2.958 2.958 . 0 0 "[ ]" 1
261 1 33 ILE MD 1 33 ILE MG 3.000 . 7.000 1.986 1.986 1.986 . 0 0 "[ ]" 1
262 1 35 LYS HA 1 36 TYR H 4.000 . 5.000 3.408 3.408 3.408 . 0 0 "[ ]" 1
263 1 35 LYS QB 1 36 TYR H 4.000 . 6.000 3.251 3.251 3.251 . 0 0 "[ ]" 1
264 1 36 TYR H 1 37 ASN H 3.000 . 4.000 2.665 2.665 2.665 . 0 0 "[ ]" 1
265 1 36 TYR H 1 38 ALA H 4.000 . 5.000 4.147 4.147 4.147 . 0 0 "[ ]" 1
266 1 36 TYR HA 1 39 TYR QB 4.000 . 6.000 4.108 4.108 4.108 . 0 0 "[ ]" 1
267 1 36 TYR HB2 1 37 ASN H 4.000 . 5.000 4.211 4.211 4.211 . 0 0 "[ ]" 1
268 1 36 TYR H 1 36 TYR HB3 4.000 . 5.000 2.376 2.376 2.376 . 0 0 "[ ]" 1
269 1 36 TYR H 1 36 TYR HB2 3.000 . 4.000 2.673 2.673 2.673 . 0 0 "[ ]" 1
270 1 36 TYR HB2 1 36 TYR QD 2.500 . 4.700 2.660 2.660 2.660 . 0 0 "[ ]" 1
271 1 36 TYR HB3 1 36 TYR QD 2.500 . 4.700 2.301 2.301 2.301 . 0 0 "[ ]" 1
272 1 36 TYR HA 1 36 TYR HB3 3.000 . 4.000 3.037 3.037 3.037 . 0 0 "[ ]" 1
273 1 29 VAL MG1 1 36 TYR H 4.000 . 6.500 3.241 3.241 3.241 . 0 0 "[ ]" 1
274 1 29 VAL MG2 1 36 TYR H 4.000 . 6.500 4.650 4.650 4.650 . 0 0 "[ ]" 1
275 1 36 TYR QE 1 40 ARG QD 3.000 . 7.000 4.417 4.417 4.417 . 0 0 "[ ]" 1
276 1 36 TYR QE 1 40 ARG QG 3.000 . 7.000 5.114 5.114 5.114 . 0 0 "[ ]" 1
277 1 33 ILE QG 1 36 TYR QE 3.000 . 7.000 4.279 4.279 4.279 . 0 0 "[ ]" 1
278 1 33 ILE MG 1 36 TYR QE 4.000 . 8.500 6.313 6.313 6.313 . 0 0 "[ ]" 1
279 1 33 ILE MD 1 36 TYR QE 4.000 . 8.500 5.139 5.139 5.139 . 0 0 "[ ]" 1
280 1 37 ASN HA 1 40 ARG QB 4.000 . 6.000 2.434 2.434 2.434 . 0 0 "[ ]" 1
281 1 36 TYR QD 1 37 ASN H 4.000 . 7.000 4.173 4.173 4.173 . 0 0 "[ ]" 1
282 1 37 ASN H 1 38 ALA H 3.000 . 4.000 2.433 2.433 2.433 . 0 0 "[ ]" 1
283 1 37 ASN HA 1 38 ALA H 4.000 . 5.000 3.497 3.497 3.497 . 0 0 "[ ]" 1
284 1 37 ASN HA 1 40 ARG H 4.000 . 5.000 3.180 3.180 3.180 . 0 0 "[ ]" 1
285 1 37 ASN QB 1 38 ALA H 3.000 . 5.000 2.895 2.895 2.895 . 0 0 "[ ]" 1
286 1 37 ASN H 1 38 ALA MB 4.000 . 6.500 4.081 4.081 4.081 . 0 0 "[ ]" 1
287 1 37 ASN H 1 40 ARG QB 4.000 . 6.000 4.831 4.831 4.831 . 0 0 "[ ]" 1
288 1 38 ALA MB 1 39 TYR QD 3.000 . 7.500 3.380 3.380 3.380 . 0 0 "[ ]" 1
289 1 38 ALA MB 1 39 TYR QE 4.000 . 7.500 3.317 3.317 3.317 . 0 0 "[ ]" 1
290 1 38 ALA H 1 39 TYR H 3.000 . 4.000 2.749 2.749 2.749 . 0 0 "[ ]" 1
291 1 38 ALA HA 1 39 TYR H 4.000 . 5.000 3.546 3.546 3.546 . 0 0 "[ ]" 1
292 1 38 ALA HA 1 41 LYS H 4.000 . 5.000 3.897 3.897 3.897 . 0 0 "[ ]" 1
293 1 38 ALA HA 1 40 ARG H 4.000 . 5.000 4.238 4.238 4.238 . 0 0 "[ ]" 1
294 1 38 ALA HA 1 41 LYS QB 4.000 . 6.000 3.523 3.523 3.523 . 0 0 "[ ]" 1
295 1 38 ALA MB 1 39 TYR H 4.000 . 6.500 2.518 2.518 2.518 . 0 0 "[ ]" 1
296 1 39 TYR HA 1 69 ILE MD 4.000 . 6.500 2.515 2.515 2.515 . 0 0 "[ ]" 1
297 1 39 TYR QE 1 69 ILE MD 3.000 . 7.500 3.189 3.189 3.189 . 0 0 "[ ]" 1
298 1 39 TYR QE 1 69 ILE MG 4.000 . 8.500 3.697 3.697 3.697 . 0 0 "[ ]" 1
299 1 39 TYR QE 1 69 ILE HB 4.000 . 7.500 5.704 5.704 5.704 . 0 0 "[ ]" 1
300 1 39 TYR QE 1 69 ILE HA 4.000 . 7.500 4.758 4.758 4.758 . 0 0 "[ ]" 1
301 1 22 LEU MD1 1 39 TYR HB3 4.000 . 6.500 3.971 3.971 3.971 . 0 0 "[ ]" 1
302 1 22 LEU MD1 1 39 TYR HB2 4.000 . 6.500 4.670 4.670 4.670 . 0 0 "[ ]" 1
303 1 22 LEU MD2 1 39 TYR HB3 4.000 . 6.500 4.003 4.003 4.003 . 0 0 "[ ]" 1
304 1 22 LEU MD2 1 39 TYR HB2 4.000 . 6.500 3.773 3.773 3.773 . 0 0 "[ ]" 1
305 1 22 LEU MD1 1 39 TYR QE 3.000 . 7.500 2.384 2.384 2.384 . 0 0 "[ ]" 1
306 1 22 LEU MD2 1 39 TYR QE 3.000 . 7.500 2.280 2.280 2.280 . 0 0 "[ ]" 1
307 1 39 TYR QD 1 40 ARG QB 4.000 . 8.000 4.765 4.765 4.765 . 0 0 "[ ]" 1
308 1 39 TYR QE 1 40 ARG QB 4.000 . 8.000 6.419 6.419 6.419 . 0 0 "[ ]" 1
309 1 39 TYR H 1 40 ARG H 3.000 . 4.000 2.424 2.424 2.424 . 0 0 "[ ]" 1
310 1 39 TYR HA 1 40 ARG H 4.000 . 5.000 3.462 3.462 3.462 . 0 0 "[ ]" 1
311 1 39 TYR HA 1 41 LYS H 4.000 . 5.000 4.350 4.350 4.350 . 0 0 "[ ]" 1
312 1 39 TYR H 1 41 LYS H 4.000 . 5.000 4.267 4.267 4.267 . 0 0 "[ ]" 1
313 1 39 TYR HA 1 42 ALA MB 4.000 . 6.500 2.468 2.468 2.468 . 0 0 "[ ]" 1
314 1 39 TYR HB2 1 40 ARG H 3.000 . 4.000 3.117 3.117 3.117 . 0 0 "[ ]" 1
315 1 39 TYR HB3 1 40 ARG H 4.000 . 5.000 4.258 4.258 4.258 . 0 0 "[ ]" 1
316 1 39 TYR HB2 1 39 TYR QD 2.500 . 4.700 2.299 2.299 2.299 . 0 0 "[ ]" 1
317 1 39 TYR HB3 1 39 TYR QD 3.000 . 6.000 2.579 2.579 2.579 . 0 0 "[ ]" 1
318 1 39 TYR QD 1 40 ARG H 4.000 . 7.000 3.933 3.933 3.933 . 0 0 "[ ]" 1
319 1 40 ARG H 1 41 LYS H 3.000 . 4.000 2.558 2.558 2.558 . 0 0 "[ ]" 1
320 1 40 ARG HA 1 41 LYS H 4.000 . 5.000 3.557 3.557 3.557 . 0 0 "[ ]" 1
321 1 40 ARG HA 1 43 ALA H 4.000 . 5.000 3.922 3.922 3.922 . 0 0 "[ ]" 1
322 1 40 ARG HA 1 42 ALA H 4.000 . 5.000 4.902 4.902 4.902 . 0 0 "[ ]" 1
323 1 40 ARG H 1 42 ALA H 4.000 . 5.000 4.075 4.075 4.075 . 0 0 "[ ]" 1
324 1 40 ARG HA 1 43 ALA MB 4.000 . 6.500 2.991 2.991 2.991 . 0 0 "[ ]" 1
325 1 40 ARG H 1 40 ARG QB 3.000 . 4.600 2.246 2.246 2.246 . 0 0 "[ ]" 1
326 1 40 ARG H 1 40 ARG QG 4.000 . 6.000 4.032 4.032 4.032 . 0 0 "[ ]" 1
327 1 41 LYS H 1 42 ALA H 3.000 . 4.000 2.505 2.505 2.505 . 0 0 "[ ]" 1
328 1 41 LYS HA 1 42 ALA H 4.000 . 5.000 3.576 3.576 3.576 . 0 0 "[ ]" 1
329 1 41 LYS H 1 43 ALA H 4.000 . 5.000 3.830 3.830 3.830 . 0 0 "[ ]" 1
330 1 41 LYS QB 1 42 ALA H 4.000 . 6.000 2.575 2.575 2.575 . 0 0 "[ ]" 1
331 1 42 ALA HA 1 65 VAL QG 4.000 . 8.900 1.804 1.804 1.804 . 0 0 "[ ]" 1
332 1 42 ALA MB 1 73 ILE QG 4.000 . 7.500 4.236 4.236 4.236 . 0 0 "[ ]" 1
333 1 42 ALA MB 1 73 ILE MG 4.000 . 8.000 5.340 5.340 5.340 . 0 0 "[ ]" 1
334 1 42 ALA MB 1 73 ILE MD 4.000 . 8.000 3.224 3.224 3.224 . 0 0 "[ ]" 1
335 1 42 ALA H 1 43 ALA H 3.000 . 4.000 2.657 2.657 2.657 . 0 0 "[ ]" 1
336 1 42 ALA HA 1 43 ALA H 4.000 . 5.000 3.514 3.514 3.514 . 0 0 "[ ]" 1
337 1 42 ALA H 1 44 SER H 4.000 . 5.000 3.968 3.968 3.968 . 0 0 "[ ]" 1
338 1 42 ALA MB 1 43 ALA H 4.000 . 6.500 2.716 2.716 2.716 . 0 0 "[ ]" 1
339 1 42 ALA H 1 69 ILE MD 4.000 . 6.500 3.544 3.544 3.544 . 0 0 "[ ]" 1
340 1 42 ALA H 1 69 ILE MG 4.000 . 6.500 4.899 4.899 4.899 . 0 0 "[ ]" 1
341 1 16 THR MG 1 43 ALA MB 4.000 . 8.000 5.135 5.135 5.135 . 0 0 "[ ]" 1
342 1 16 THR MG 1 43 ALA HA 4.000 . 6.500 5.568 5.568 5.568 . 0 0 "[ ]" 1
343 1 20 VAL MG2 1 43 ALA MB 4.000 . 8.000 2.308 2.308 2.308 . 0 0 "[ ]" 1
344 1 43 ALA H 1 44 SER H 3.000 . 4.000 2.430 2.430 2.430 . 0 0 "[ ]" 1
345 1 43 ALA HA 1 44 SER H 4.000 . 5.000 3.491 3.491 3.491 . 0 0 "[ ]" 1
346 1 43 ALA MB 1 44 SER H 4.000 . 6.500 2.922 2.922 2.922 . 0 0 "[ ]" 1
347 1 19 LEU MD1 1 43 ALA HA 4.000 . 6.500 1.968 1.968 1.968 . 0 0 "[ ]" 1
348 1 19 LEU MD2 1 43 ALA HA 4.000 . 6.500 3.191 3.191 3.191 . 0 0 "[ ]" 1
349 1 19 LEU MD1 1 43 ALA MB 4.000 . 8.000 2.471 2.471 2.471 . 0 0 "[ ]" 1
350 1 19 LEU MD2 1 43 ALA MB 4.000 . 8.000 1.888 1.888 1.888 . 0 0 "[ ]" 1
351 1 43 ALA MB 1 65 VAL MG1 4.000 . 8.000 5.478 5.478 5.478 . 0 0 "[ ]" 1
352 1 43 ALA MB 1 65 VAL MG2 4.000 . 8.000 5.453 5.453 5.453 . 0 0 "[ ]" 1
353 1 43 ALA HA 1 46 ILE HB 4.000 . 5.000 2.273 2.273 2.273 . 0 0 "[ ]" 1
354 1 19 LEU MD1 1 43 ALA H 4.000 . 6.500 2.851 2.851 2.851 . 0 0 "[ ]" 1
355 1 19 LEU MD2 1 43 ALA H 4.000 . 6.500 2.492 2.492 2.492 . 0 0 "[ ]" 1
356 1 44 SER H 1 44 SER QB 3.000 . 4.600 2.262 2.262 2.262 . 0 0 "[ ]" 1
357 1 44 SER HA 1 47 ALA H 4.000 . 5.000 4.281 4.281 4.281 . 0 0 "[ ]" 1
358 1 44 SER H 1 46 ILE H 4.000 . 5.000 3.788 3.788 3.788 . 0 0 "[ ]" 1
359 1 45 VAL MG1 1 62 LEU MD1 4.000 . 8.000 3.082 3.082 3.082 . 0 0 "[ ]" 1
360 1 45 VAL MG1 1 62 LEU MD2 4.000 . 8.000 3.586 3.586 3.586 . 0 0 "[ ]" 1
361 1 45 VAL MG1 1 65 VAL QG 4.000 . 9.400 1.704 1.704 1.704 . 0 0 "[ ]" 1
362 1 45 VAL MG2 1 59 ALA HA 4.000 . 6.500 5.341 5.341 5.341 . 0 0 "[ ]" 1
363 1 45 VAL MG1 1 59 ALA MB 4.000 . 8.000 5.198 5.198 5.198 . 0 0 "[ ]" 1
364 1 45 VAL MG1 1 46 ILE HA 4.000 . 6.500 3.557 3.557 3.557 . 0 0 "[ ]" 1
365 1 42 ALA HA 1 45 VAL MG1 4.000 . 6.500 2.310 2.310 2.310 . 0 0 "[ ]" 1
366 1 45 VAL MG1 1 46 ILE MG 4.000 . 8.000 4.452 4.452 4.452 . 0 0 "[ ]" 1
367 1 45 VAL MG2 1 64 GLY QA 4.000 . 7.500 4.722 4.722 4.722 . 0 0 "[ ]" 1
368 1 45 VAL MG2 1 63 PRO QD 4.000 . 7.500 1.912 1.912 1.912 . 0 0 "[ ]" 1
369 1 45 VAL MG2 1 61 LYS QG 4.000 . 7.100 5.044 5.044 5.044 . 0 0 "[ ]" 1
370 1 45 VAL MG2 1 61 LYS QE 4.000 . 7.500 4.387 4.387 4.387 . 0 0 "[ ]" 1
371 1 42 ALA MB 1 45 VAL MG2 4.000 . 8.000 5.529 5.529 5.529 . 0 0 "[ ]" 1
372 1 45 VAL HB 1 65 VAL QG 4.000 . 8.900 3.715 3.715 3.715 . 0 0 "[ ]" 1
373 1 42 ALA HA 1 45 VAL HB 4.000 . 5.000 4.644 4.644 4.644 . 0 0 "[ ]" 1
374 1 45 VAL HA 1 48 LYS QB 4.000 . 6.000 2.726 2.726 2.726 . 0 0 "[ ]" 1
375 1 44 SER H 1 45 VAL H 3.000 . 4.000 2.475 2.475 2.475 . 0 0 "[ ]" 1
376 1 45 VAL H 1 46 ILE H 3.000 . 4.000 2.297 2.297 2.297 . 0 0 "[ ]" 1
377 1 44 SER HA 1 45 VAL H 4.000 . 5.000 3.525 3.525 3.525 . 0 0 "[ ]" 1
378 1 45 VAL HA 1 46 ILE H 4.000 . 5.000 3.508 3.508 3.508 . 0 0 "[ ]" 1
379 1 42 ALA HA 1 45 VAL H 4.000 . 5.000 3.689 3.689 3.689 . 0 0 "[ ]" 1
380 1 45 VAL HA 1 48 LYS H 4.000 . 5.000 3.740 3.740 3.740 . 0 0 "[ ]" 1
381 1 45 VAL HA 1 47 ALA H 4.000 . 5.000 4.941 4.941 4.941 . 0 0 "[ ]" 1
382 1 43 ALA H 1 45 VAL H 4.000 . 5.000 4.141 4.141 4.141 . 0 0 "[ ]" 1
383 1 45 VAL H 1 47 ALA H 4.000 . 5.000 4.323 4.323 4.323 . 0 0 "[ ]" 1
384 1 44 SER QB 1 45 VAL H 4.000 . 6.000 2.690 2.690 2.690 . 0 0 "[ ]" 1
385 1 45 VAL H 1 45 VAL HB 4.000 . 5.000 2.817 2.817 2.817 . 0 0 "[ ]" 1
386 1 45 VAL H 1 45 VAL QG 4.000 . 7.900 1.915 1.915 1.915 . 0 0 "[ ]" 1
387 1 45 VAL HA 1 45 VAL HB 3.000 . 4.000 2.452 2.452 2.452 . 0 0 "[ ]" 1
388 1 45 VAL HA 1 45 VAL QG 3.000 . 5.100 2.362 2.362 2.362 . 0 0 "[ ]" 1
389 1 16 THR MG 1 46 ILE MG 4.000 . 8.000 2.953 2.953 2.953 . 0 0 "[ ]" 1
390 1 15 ILE MG 1 46 ILE MG 4.000 . 8.000 1.706 1.706 1.706 . 0 0 "[ ]" 1
391 1 15 ILE HB 1 46 ILE MG 4.000 . 6.500 1.879 1.879 1.879 . 0 0 "[ ]" 1
392 1 46 ILE MG 1 62 LEU MD1 4.000 . 8.000 4.107 4.107 4.107 . 0 0 "[ ]" 1
393 1 46 ILE MG 1 47 ALA HA 4.000 . 6.500 2.871 2.871 2.871 . 0 0 "[ ]" 1
394 1 46 ILE MG 1 47 ALA MB 4.000 . 8.000 3.155 3.155 3.155 . 0 0 "[ ]" 1
395 1 43 ALA HA 1 46 ILE MG 4.000 . 6.500 3.072 3.072 3.072 . 0 0 "[ ]" 1
396 1 15 ILE MD 1 46 ILE MD 4.000 . 8.000 4.196 4.196 4.196 . 0 0 "[ ]" 1
397 1 46 ILE MD 1 59 ALA MB 4.000 . 8.000 3.574 3.574 3.574 . 0 0 "[ ]" 1
398 1 46 ILE MD 1 53 ILE QG 4.000 . 8.000 5.700 5.700 5.700 . 0 0 "[ ]" 1
399 1 46 ILE MD 1 53 ILE MG 4.000 . 8.000 5.383 5.383 5.383 . 0 0 "[ ]" 1
400 1 46 ILE MD 1 53 ILE MD 4.000 . 8.500 4.831 4.831 4.831 . 0 0 "[ ]" 1
401 1 16 THR MG 1 46 ILE HB 4.000 . 6.500 5.305 5.305 5.305 . 0 0 "[ ]" 1
402 1 46 ILE HA 1 62 LEU MD1 4.000 . 6.500 2.701 2.701 2.701 . 0 0 "[ ]" 1
403 1 46 ILE HA 1 49 TYR HB3 4.000 . 5.000 2.840 2.840 2.840 . 0 0 "[ ]" 1
404 1 46 ILE HA 1 49 TYR HB2 4.000 . 5.000 2.234 2.234 2.234 . 0 0 "[ ]" 1
405 1 46 ILE H 1 62 LEU MD1 4.000 . 6.500 4.361 4.361 4.361 . 0 0 "[ ]" 1
406 1 46 ILE H 1 47 ALA H 3.000 . 4.000 2.695 2.695 2.695 . 0 0 "[ ]" 1
407 1 46 ILE HA 1 47 ALA H 4.000 . 5.000 3.583 3.583 3.583 . 0 0 "[ ]" 1
408 1 46 ILE HA 1 49 TYR H 4.000 . 5.000 3.267 3.267 3.267 . 0 0 "[ ]" 1
409 1 46 ILE H 1 48 LYS H 4.000 . 5.000 3.926 3.926 3.926 . 0 0 "[ ]" 1
410 1 46 ILE H 1 46 ILE HB 4.000 . 5.000 2.127 2.127 2.127 . 0 0 "[ ]" 1
411 1 46 ILE HA 1 46 ILE HB 3.000 . 4.000 2.962 2.962 2.962 . 0 0 "[ ]" 1
412 1 16 THR MG 1 47 ALA MB 4.000 . 8.000 2.666 2.666 2.666 . 0 0 "[ ]" 1
413 1 15 ILE HB 1 47 ALA MB 4.000 . 6.500 5.500 5.500 5.500 . 0 0 "[ ]" 1
414 1 47 ALA MB 1 48 LYS QB 4.000 . 7.500 4.125 4.125 4.125 . 0 0 "[ ]" 1
415 1 15 ILE MG 1 47 ALA HA 4.000 . 6.500 5.334 5.334 5.334 . 0 0 "[ ]" 1
416 1 47 ALA H 1 48 LYS H 4.000 . 5.000 2.803 2.803 2.803 . 0 0 "[ ]" 1
417 1 47 ALA HA 1 48 LYS H 4.000 . 5.000 3.551 3.551 3.551 . 0 0 "[ ]" 1
418 1 47 ALA HA 1 49 TYR H 4.000 . 5.000 4.217 4.217 4.217 . 0 0 "[ ]" 1
419 1 47 ALA MB 1 48 LYS H 4.000 . 6.500 2.645 2.645 2.645 . 0 0 "[ ]" 1
420 1 48 LYS H 1 49 TYR H 3.000 . 4.000 2.417 2.417 2.417 . 0 0 "[ ]" 1
421 1 48 LYS HA 1 49 TYR H 4.000 . 5.000 3.505 3.505 3.505 . 0 0 "[ ]" 1
422 1 48 LYS QB 1 49 TYR H 4.000 . 5.600 2.713 2.713 2.713 . 0 0 "[ ]" 1
423 1 48 LYS HA 1 48 LYS QG 3.000 . 4.600 2.021 2.021 2.021 . 0 0 "[ ]" 1
424 1 49 TYR HA 1 50 PRO QD 3.000 . 5.000 2.026 2.026 2.026 . 0 0 "[ ]" 1
425 1 49 TYR HA 1 50 PRO QG 4.000 . 6.000 3.983 3.983 3.983 . 0 0 "[ ]" 1
426 1 49 TYR HA 1 51 HIS H 4.000 . 5.000 3.895 3.895 3.895 . 0 0 "[ ]" 1
427 1 49 TYR QD 1 51 HIS QB 4.000 . 7.000 5.180 5.180 5.180 . 0 0 "[ ]" 1
428 1 49 TYR HD2 1 51 HIS H 3.000 . 4.000 2.871 2.871 2.871 . 0 0 "[ ]" 1
429 1 49 TYR HD1 1 51 HIS H 4.000 . 5.000 4.890 4.890 4.890 . 0 0 "[ ]" 1
430 1 49 TYR HE1 1 51 HIS H 5.000 . 6.000 6.139 6.139 6.139 0.139 1 0 "[ ]" 1
431 1 49 TYR HE2 1 51 HIS H 5.000 . 6.000 4.714 4.714 4.714 . 0 0 "[ ]" 1
432 1 49 TYR QE 1 53 ILE MG 3.000 . 7.500 1.918 1.918 1.918 . 0 0 "[ ]" 1
433 1 49 TYR QE 1 53 ILE HB 4.000 . 8.500 4.254 4.254 4.254 . 0 0 "[ ]" 1
434 1 49 TYR QD 1 62 LEU MD1 4.000 . 8.500 2.901 2.901 2.901 . 0 0 "[ ]" 1
435 1 49 TYR HE1 1 62 LEU MD2 2.500 . 4.200 2.797 2.797 2.797 . 0 0 "[ ]" 1
436 1 49 TYR HE2 1 62 LEU MD2 2.500 . 4.200 3.223 3.223 3.223 . 0 0 "[ ]" 1
437 1 46 ILE HA 1 49 TYR QD 4.000 . 7.000 3.730 3.730 3.730 . 0 0 "[ ]" 1
438 1 48 LYS QG 1 49 TYR H 4.000 . 6.000 4.350 4.350 4.350 . 0 0 "[ ]" 1
439 1 49 TYR QE 1 50 PRO QD 2.500 . 4.700 3.172 3.172 3.172 . 0 0 "[ ]" 1
440 1 49 TYR QD 1 50 PRO QD 3.000 . 6.000 2.476 2.476 2.476 . 0 0 "[ ]" 1
441 1 49 TYR H 1 49 TYR QB 3.000 . 4.600 2.065 2.065 2.065 . 0 0 "[ ]" 1
442 1 49 TYR HB3 1 49 TYR QD 3.000 . 6.000 2.314 2.314 2.314 . 0 0 "[ ]" 1
443 1 49 TYR HB2 1 49 TYR QD 3.000 . 6.000 2.758 2.758 2.758 . 0 0 "[ ]" 1
444 1 49 TYR H 1 49 TYR QD 4.000 . 7.000 3.857 3.857 3.857 . 0 0 "[ ]" 1
445 1 49 TYR HA 1 49 TYR QD 3.000 . 6.000 1.947 1.947 1.947 . 0 0 "[ ]" 1
446 1 49 TYR HA 1 49 TYR QE 4.000 . 7.000 4.113 4.113 4.113 . 0 0 "[ ]" 1
447 1 50 PRO HA 1 50 PRO QD 4.000 . 5.000 3.421 3.421 3.421 . 0 0 "[ ]" 1
448 1 15 ILE MG 1 51 HIS HA 4.000 . 6.500 4.055 4.055 4.055 . 0 0 "[ ]" 1
449 1 50 PRO QB 1 51 HIS H 3.000 . 5.000 3.477 3.477 3.477 . 0 0 "[ ]" 1
450 1 15 ILE MD 1 51 HIS H 3.000 . 5.500 3.432 3.432 3.432 . 0 0 "[ ]" 1
451 1 15 ILE MG 1 51 HIS H 4.000 . 6.500 5.503 5.503 5.503 . 0 0 "[ ]" 1
452 1 15 ILE MG 1 52 LYS HA 4.000 . 6.500 5.540 5.540 5.540 . 0 0 "[ ]" 1
453 1 15 ILE MG 1 52 LYS H 4.000 . 6.500 4.410 4.410 4.410 . 0 0 "[ ]" 1
454 1 52 LYS H 1 53 ILE H 4.000 . 5.000 3.899 3.899 3.899 . 0 0 "[ ]" 1
455 1 52 LYS HA 1 53 ILE H 3.000 . 4.000 2.141 2.141 2.141 . 0 0 "[ ]" 1
456 1 53 ILE MG 1 59 ALA MB 4.000 . 8.000 4.518 4.518 4.518 . 0 0 "[ ]" 1
457 1 53 ILE MG 1 58 GLU QB 4.000 . 7.500 1.895 1.895 1.895 . 0 0 "[ ]" 1
458 1 53 ILE MD 1 62 LEU MD1 4.000 . 8.000 3.523 3.523 3.523 . 0 0 "[ ]" 1
459 1 53 ILE MD 1 56 GLY QA 4.000 . 7.500 2.854 2.854 2.854 . 0 0 "[ ]" 1
460 1 53 ILE H 1 54 LYS H 4.000 . 5.000 3.792 3.792 3.792 . 0 0 "[ ]" 1
461 1 53 ILE HA 1 54 LYS H 3.000 . 4.000 2.212 2.212 2.212 . 0 0 "[ ]" 1
462 1 53 ILE H 1 53 ILE HB 4.000 . 5.600 3.939 3.939 3.939 . 0 0 "[ ]" 1
463 1 54 LYS H 1 55 SER H 3.000 . 4.000 2.875 2.875 2.875 . 0 0 "[ ]" 1
464 1 54 LYS HA 1 55 SER H 4.000 . 5.000 3.587 3.587 3.587 . 0 0 "[ ]" 1
465 1 54 LYS H 1 54 LYS HA 3.000 . 4.000 2.860 2.860 2.860 . 0 0 "[ ]" 1
466 1 54 LYS HA 1 54 LYS QB 2.500 . 3.700 2.367 2.367 2.367 . 0 0 "[ ]" 1
467 1 54 LYS HA 1 54 LYS QG 3.000 . 4.600 2.331 2.331 2.331 . 0 0 "[ ]" 1
468 1 54 LYS QB 1 54 LYS QD 3.000 . 5.600 2.117 2.117 2.117 . 0 0 "[ ]" 1
469 1 55 SER HA 1 56 GLY H 4.000 . 5.000 2.241 2.241 2.241 . 0 0 "[ ]" 1
470 1 56 GLY QA 1 59 ALA MB 4.000 . 7.500 3.734 3.734 3.734 . 0 0 "[ ]" 1
471 1 56 GLY QA 1 73 ILE MG 4.000 . 7.500 4.605 4.605 4.605 . 0 0 "[ ]" 1
472 1 56 GLY H 1 57 ALA H 4.000 . 5.000 2.518 2.518 2.518 . 0 0 "[ ]" 1
473 1 56 GLY QA 1 57 ALA H 4.000 . 6.000 2.878 2.878 2.878 . 0 0 "[ ]" 1
474 1 57 ALA MB 1 58 GLU QB 4.000 . 7.500 4.681 4.681 4.681 . 0 0 "[ ]" 1
475 1 57 ALA MB 1 58 GLU QG 4.000 . 7.500 3.632 3.632 3.632 . 0 0 "[ ]" 1
476 1 57 ALA H 1 58 GLU H 3.000 . 4.000 2.754 2.754 2.754 . 0 0 "[ ]" 1
477 1 57 ALA HA 1 58 GLU H 4.000 . 5.000 3.479 3.479 3.479 . 0 0 "[ ]" 1
478 1 57 ALA HA 1 60 LYS H 4.000 . 5.000 3.292 3.292 3.292 . 0 0 "[ ]" 1
479 1 57 ALA HA 1 59 ALA H 4.000 . 5.000 4.516 4.516 4.516 . 0 0 "[ ]" 1
480 1 57 ALA HA 1 60 LYS QB 4.000 . 6.000 2.376 2.376 2.376 . 0 0 "[ ]" 1
481 1 57 ALA MB 1 58 GLU H 4.000 . 6.500 2.932 2.932 2.932 . 0 0 "[ ]" 1
482 1 57 ALA H 1 57 ALA MB 3.000 . 5.100 2.245 2.245 2.245 . 0 0 "[ ]" 1
483 1 58 GLU H 1 59 ALA H 3.000 . 4.000 2.881 2.881 2.881 . 0 0 "[ ]" 1
484 1 58 GLU HA 1 59 ALA H 4.000 . 5.000 3.588 3.588 3.588 . 0 0 "[ ]" 1
485 1 58 GLU HA 1 61 LYS H 4.000 . 5.000 3.599 3.599 3.599 . 0 0 "[ ]" 1
486 1 58 GLU HA 1 60 LYS H 4.000 . 5.000 3.925 3.925 3.925 . 0 0 "[ ]" 1
487 1 58 GLU H 1 60 LYS H 4.000 . 5.000 3.911 3.911 3.911 . 0 0 "[ ]" 1
488 1 58 GLU QB 1 59 ALA H 4.000 . 6.000 2.298 2.298 2.298 . 0 0 "[ ]" 1
489 1 58 GLU H 1 58 GLU QG 4.000 . 6.000 2.250 2.250 2.250 . 0 0 "[ ]" 1
490 1 59 ALA HA 1 62 LEU MD2 4.000 . 6.500 3.874 3.874 3.874 . 0 0 "[ ]" 1
491 1 59 ALA HA 1 62 LEU MD1 4.000 . 6.500 1.900 1.900 1.900 . 0 0 "[ ]" 1
492 1 59 ALA HA 1 73 ILE MD 4.000 . 6.500 5.369 5.369 5.369 . 0 0 "[ ]" 1
493 1 59 ALA HA 1 73 ILE MG 4.000 . 6.500 4.149 4.149 4.149 . 0 0 "[ ]" 1
494 1 59 ALA MB 1 62 LEU MD1 4.000 . 8.000 2.915 2.915 2.915 . 0 0 "[ ]" 1
495 1 59 ALA MB 1 65 VAL QG 4.000 . 9.400 3.052 3.052 3.052 . 0 0 "[ ]" 1
496 1 59 ALA MB 1 65 VAL HB 4.000 . 6.500 2.999 2.999 2.999 . 0 0 "[ ]" 1
497 1 59 ALA MB 1 73 ILE MD 4.000 . 8.000 3.735 3.735 3.735 . 0 0 "[ ]" 1
498 1 59 ALA H 1 60 LYS H 3.000 . 4.000 2.720 2.720 2.720 . 0 0 "[ ]" 1
499 1 59 ALA HA 1 60 LYS H 4.000 . 5.000 3.482 3.482 3.482 . 0 0 "[ ]" 1
500 1 59 ALA HA 1 62 LEU H 4.000 . 5.000 3.337 3.337 3.337 . 0 0 "[ ]" 1
501 1 59 ALA H 1 61 LYS H 4.000 . 5.000 4.642 4.642 4.642 . 0 0 "[ ]" 1
502 1 59 ALA MB 1 60 LYS H 4.000 . 6.500 2.924 2.924 2.924 . 0 0 "[ ]" 1
503 1 59 ALA H 1 59 ALA MB 3.000 . 5.100 2.213 2.213 2.213 . 0 0 "[ ]" 1
504 1 60 LYS HA 1 65 VAL QG 4.000 . 7.900 5.163 5.163 5.163 . 0 0 "[ ]" 1
505 1 60 LYS H 1 61 LYS H 3.000 . 4.000 2.706 2.706 2.706 . 0 0 "[ ]" 1
506 1 60 LYS HA 1 61 LYS H 4.000 . 5.000 3.583 3.583 3.583 . 0 0 "[ ]" 1
507 1 60 LYS HA 1 62 LEU H 4.000 . 5.000 4.124 4.124 4.124 . 0 0 "[ ]" 1
508 1 60 LYS QB 1 61 LYS H 4.000 . 6.000 2.467 2.467 2.467 . 0 0 "[ ]" 1
509 1 61 LYS H 1 62 LEU H 3.000 . 4.000 2.617 2.617 2.617 . 0 0 "[ ]" 1
510 1 61 LYS HA 1 62 LEU H 4.000 . 5.000 3.497 3.497 3.497 . 0 0 "[ ]" 1
511 1 61 LYS QB 1 62 LEU H 4.000 . 6.000 3.609 3.609 3.609 . 0 0 "[ ]" 1
512 1 62 LEU QB 1 65 VAL QG 4.000 . 8.000 2.119 2.119 2.119 . 0 0 "[ ]" 1
513 1 49 TYR HB3 1 62 LEU MD1 4.000 . 6.000 3.807 3.807 3.807 . 0 0 "[ ]" 1
514 1 49 TYR HB2 1 62 LEU MD2 4.000 . 6.000 3.109 3.109 3.109 . 0 0 "[ ]" 1
515 1 53 ILE MG 1 62 LEU MD1 4.000 . 8.000 3.394 3.394 3.394 . 0 0 "[ ]" 1
516 1 53 ILE MG 1 62 LEU MD2 4.000 . 8.000 4.218 4.218 4.218 . 0 0 "[ ]" 1
517 1 59 ALA HA 1 62 LEU HG 4.000 . 5.000 2.403 2.403 2.403 . 0 0 "[ ]" 1
518 1 62 LEU HA 1 62 LEU MD2 3.000 . 5.500 2.168 2.168 2.168 . 0 0 "[ ]" 1
519 1 62 LEU H 1 62 LEU HG 4.000 . 5.000 1.967 1.967 1.967 . 0 0 "[ ]" 1
520 1 62 LEU H 1 62 LEU QD 4.000 . 7.500 2.882 2.882 2.882 . 0 0 "[ ]" 1
521 1 62 LEU MD2 1 63 PRO QD 4.000 . 6.000 3.126 3.126 3.126 . 0 0 "[ ]" 1
522 1 64 GLY H 1 65 VAL H 3.000 . 4.000 2.749 2.749 2.749 . 0 0 "[ ]" 1
523 1 63 PRO HA 1 64 GLY H 3.000 . 4.000 2.240 2.240 2.240 . 0 0 "[ ]" 1
524 1 64 GLY QA 1 65 VAL H 4.000 . 6.000 2.905 2.905 2.905 . 0 0 "[ ]" 1
525 1 63 PRO QB 1 64 GLY H 4.000 . 6.000 3.190 3.190 3.190 . 0 0 "[ ]" 1
526 1 42 ALA MB 1 65 VAL HA 4.000 . 6.500 3.255 3.255 3.255 . 0 0 "[ ]" 1
527 1 64 GLY QA 1 65 VAL HA 4.000 . 6.000 4.043 4.043 4.043 . 0 0 "[ ]" 1
528 1 62 LEU QD 1 65 VAL QG 4.000 . 8.400 2.888 2.888 2.888 . 0 0 "[ ]" 1
529 1 65 VAL QG 1 69 ILE MG 4.000 . 9.400 2.892 2.892 2.892 . 0 0 "[ ]" 1
530 1 65 VAL QG 1 69 ILE HB 4.000 . 7.900 2.424 2.424 2.424 . 0 0 "[ ]" 1
531 1 65 VAL HA 1 66 GLY H 3.000 . 4.000 2.232 2.232 2.232 . 0 0 "[ ]" 1
532 1 65 VAL HB 1 66 GLY H 4.000 . 5.000 3.558 3.558 3.558 . 0 0 "[ ]" 1
533 1 65 VAL H 1 65 VAL HB 4.000 . 5.000 3.226 3.226 3.226 . 0 0 "[ ]" 1
534 1 65 VAL H 1 65 VAL QG 4.000 . 7.900 2.268 2.268 2.268 . 0 0 "[ ]" 1
535 1 66 GLY H 1 69 ILE HB 4.000 . 5.000 4.136 4.136 4.136 . 0 0 "[ ]" 1
536 1 66 GLY H 1 70 ALA MB 4.000 . 6.500 2.758 2.758 2.758 . 0 0 "[ ]" 1
537 1 67 THR HA 1 70 ALA MB 4.000 . 6.500 4.332 4.332 4.332 . 0 0 "[ ]" 1
538 1 69 ILE HA 1 72 LYS QB 4.000 . 6.000 2.767 2.767 2.767 . 0 0 "[ ]" 1
539 1 42 ALA MB 1 69 ILE MG 3.000 . 7.000 2.486 2.486 2.486 . 0 0 "[ ]" 1
540 1 42 ALA HA 1 69 ILE MG 4.000 . 6.500 4.980 4.980 4.980 . 0 0 "[ ]" 1
541 1 59 ALA MB 1 69 ILE MG 4.000 . 8.000 5.099 5.099 5.099 . 0 0 "[ ]" 1
542 1 39 TYR HA 1 69 ILE MG 4.000 . 6.500 3.353 3.353 3.353 . 0 0 "[ ]" 1
543 1 38 ALA MB 1 69 ILE MG 4.000 . 8.000 4.049 4.049 4.049 . 0 0 "[ ]" 1
544 1 65 VAL QG 1 69 ILE MD 4.000 . 9.400 3.083 3.083 3.083 . 0 0 "[ ]" 1
545 1 39 TYR HB3 1 69 ILE MD 4.000 . 6.500 3.971 3.971 3.971 . 0 0 "[ ]" 1
546 1 42 ALA MB 1 69 ILE MD 4.000 . 8.000 2.107 2.107 2.107 . 0 0 "[ ]" 1
547 1 42 ALA HA 1 69 ILE MD 4.000 . 7.500 4.487 4.487 4.487 . 0 0 "[ ]" 1
548 1 69 ILE H 1 70 ALA H 3.000 . 4.000 2.559 2.559 2.559 . 0 0 "[ ]" 1
549 1 69 ILE HA 1 70 ALA H 4.000 . 5.000 3.475 3.475 3.475 . 0 0 "[ ]" 1
550 1 69 ILE HA 1 72 LYS H 4.000 . 5.000 3.082 3.082 3.082 . 0 0 "[ ]" 1
551 1 69 ILE HB 1 70 ALA H 4.000 . 5.000 3.113 3.113 3.113 . 0 0 "[ ]" 1
552 1 69 ILE H 1 69 ILE HB 4.000 . 5.000 2.581 2.581 2.581 . 0 0 "[ ]" 1
553 1 70 ALA HA 1 73 ILE HB 4.000 . 5.000 3.351 3.351 3.351 . 0 0 "[ ]" 1
554 1 70 ALA HA 1 73 ILE MD 4.000 . 6.500 3.694 3.694 3.694 . 0 0 "[ ]" 1
555 1 70 ALA HA 1 73 ILE MG 4.000 . 6.500 4.269 4.269 4.269 . 0 0 "[ ]" 1
556 1 65 VAL QG 1 70 ALA MB 4.000 . 9.400 3.260 3.260 3.260 . 0 0 "[ ]" 1
557 1 59 ALA MB 1 70 ALA MB 4.000 . 8.000 2.362 2.362 2.362 . 0 0 "[ ]" 1
558 1 46 ILE MD 1 70 ALA MB 4.000 . 8.000 5.395 5.395 5.395 . 0 0 "[ ]" 1
559 1 70 ALA H 1 71 GLU H 3.000 . 4.000 2.733 2.733 2.733 . 0 0 "[ ]" 1
560 1 70 ALA HA 1 71 GLU H 4.000 . 5.000 3.525 3.525 3.525 . 0 0 "[ ]" 1
561 1 70 ALA HA 1 73 ILE H 4.000 . 5.000 3.345 3.345 3.345 . 0 0 "[ ]" 1
562 1 70 ALA HA 1 72 LYS H 4.000 . 5.000 4.247 4.247 4.247 . 0 0 "[ ]" 1
563 1 70 ALA MB 1 71 GLU H 4.000 . 6.500 2.752 2.752 2.752 . 0 0 "[ ]" 1
564 1 70 ALA H 1 70 ALA MB 3.000 . 5.100 2.085 2.085 2.085 . 0 0 "[ ]" 1
565 1 71 GLU H 1 72 LYS H 3.000 . 4.000 2.541 2.541 2.541 . 0 0 "[ ]" 1
566 1 71 GLU HA 1 72 LYS H 4.000 . 5.000 3.530 3.530 3.530 . 0 0 "[ ]" 1
567 1 71 GLU HA 1 74 ASP H 4.000 . 5.000 3.564 3.564 3.564 . 0 0 "[ ]" 1
568 1 71 GLU HA 1 73 ILE H 4.000 . 5.000 4.060 4.060 4.060 . 0 0 "[ ]" 1
569 1 71 GLU H 1 73 ILE H 4.000 . 5.000 3.973 3.973 3.973 . 0 0 "[ ]" 1
570 1 71 GLU HA 1 74 ASP QB 4.000 . 6.000 3.283 3.283 3.283 . 0 0 "[ ]" 1
571 1 71 GLU QB 1 72 LYS H 4.000 . 6.000 2.667 2.667 2.667 . 0 0 "[ ]" 1
572 1 71 GLU H 1 71 GLU QB 3.000 . 4.600 2.206 2.206 2.206 . 0 0 "[ ]" 1
573 1 71 GLU H 1 71 GLU QG 4.000 . 6.000 3.893 3.893 3.893 . 0 0 "[ ]" 1
574 1 72 LYS HA 1 75 GLU QB 4.000 . 6.000 2.116 2.116 2.116 . 0 0 "[ ]" 1
575 1 72 LYS H 1 73 ILE H 3.000 . 4.000 2.588 2.588 2.588 . 0 0 "[ ]" 1
576 1 72 LYS HA 1 73 ILE H 4.000 . 5.000 3.510 3.510 3.510 . 0 0 "[ ]" 1
577 1 72 LYS HA 1 75 GLU H 4.000 . 5.000 3.187 3.187 3.187 . 0 0 "[ ]" 1
578 1 72 LYS HA 1 74 ASP H 4.000 . 5.000 4.607 4.607 4.607 . 0 0 "[ ]" 1
579 1 72 LYS H 1 74 ASP H 4.000 . 5.000 4.472 4.472 4.472 . 0 0 "[ ]" 1
580 1 72 LYS QB 1 73 ILE H 4.000 . 6.000 2.832 2.832 2.832 . 0 0 "[ ]" 1
581 1 73 ILE HA 1 76 PHE HB2 4.000 . 5.000 4.054 4.054 4.054 . 0 0 "[ ]" 1
582 1 15 ILE MD 1 73 ILE HA 4.000 . 6.500 4.969 4.969 4.969 . 0 0 "[ ]" 1
583 1 70 ALA MB 1 73 ILE MD 4.000 . 8.000 4.778 4.778 4.778 . 0 0 "[ ]" 1
584 1 15 ILE MD 1 73 ILE MG 4.000 . 8.000 2.622 2.622 2.622 . 0 0 "[ ]" 1
585 1 46 ILE MG 1 73 ILE MG 4.000 . 8.000 3.894 3.894 3.894 . 0 0 "[ ]" 1
586 1 59 ALA MB 1 73 ILE MG 3.000 . 7.000 2.477 2.477 2.477 . 0 0 "[ ]" 1
587 1 73 ILE H 1 74 ASP H 3.000 . 4.000 2.710 2.710 2.710 . 0 0 "[ ]" 1
588 1 73 ILE HA 1 74 ASP H 4.000 . 5.000 3.571 3.571 3.571 . 0 0 "[ ]" 1
589 1 73 ILE HA 1 76 PHE H 4.000 . 5.000 3.636 3.636 3.636 . 0 0 "[ ]" 1
590 1 73 ILE HB 1 74 ASP H 4.000 . 5.000 2.322 2.322 2.322 . 0 0 "[ ]" 1
591 1 73 ILE H 1 73 ILE HB 4.000 . 5.000 2.709 2.709 2.709 . 0 0 "[ ]" 1
592 1 74 ASP HA 1 77 LEU QB 4.000 . 6.000 3.086 3.086 3.086 . 0 0 "[ ]" 1
593 1 74 ASP HA 1 77 LEU MD1 4.000 . 6.500 3.381 3.381 3.381 . 0 0 "[ ]" 1
594 1 74 ASP HA 1 77 LEU MD2 4.000 . 6.500 5.481 5.481 5.481 . 0 0 "[ ]" 1
595 1 74 ASP H 1 75 GLU H 3.000 . 4.000 2.593 2.593 2.593 . 0 0 "[ ]" 1
596 1 74 ASP HA 1 75 GLU H 4.000 . 5.000 3.502 3.502 3.502 . 0 0 "[ ]" 1
597 1 74 ASP HA 1 76 PHE H 4.000 . 5.000 4.075 4.075 4.075 . 0 0 "[ ]" 1
598 1 74 ASP H 1 76 PHE H 4.000 . 5.000 4.340 4.340 4.340 . 0 0 "[ ]" 1
599 1 74 ASP QB 1 75 GLU H 4.000 . 6.000 2.910 2.910 2.910 . 0 0 "[ ]" 1
600 1 75 GLU H 1 76 PHE H 3.000 . 4.000 2.680 2.680 2.680 . 0 0 "[ ]" 1
601 1 75 GLU HA 1 76 PHE H 4.000 . 5.000 3.542 3.542 3.542 . 0 0 "[ ]" 1
602 1 75 GLU HA 1 78 ALA H 4.000 . 5.000 3.608 3.608 3.608 . 0 0 "[ ]" 1
603 1 75 GLU HA 1 77 LEU H 4.000 . 5.000 4.699 4.699 4.699 . 0 0 "[ ]" 1
604 1 75 GLU H 1 77 LEU H 4.000 . 5.000 4.338 4.338 4.338 . 0 0 "[ ]" 1
605 1 75 GLU HA 1 78 ALA MB 4.000 . 6.500 2.186 2.186 2.186 . 0 0 "[ ]" 1
606 1 75 GLU QB 1 76 PHE H 4.000 . 6.000 2.599 2.599 2.599 . 0 0 "[ ]" 1
607 1 75 GLU H 1 75 GLU QG 4.000 . 6.000 3.924 3.924 3.924 . 0 0 "[ ]" 1
608 1 76 PHE HA 1 77 LEU MD1 4.000 . 6.500 5.425 5.425 5.425 . 0 0 "[ ]" 1
609 1 76 PHE HA 1 77 LEU MD2 4.000 . 6.500 5.477 5.477 5.477 . 0 0 "[ ]" 1
610 1 15 ILE MG 1 76 PHE QD 3.000 . 7.500 2.826 2.826 2.826 . 0 0 "[ ]" 1
611 1 76 PHE QD 1 77 LEU QB 3.000 . 7.000 5.298 5.298 5.298 . 0 0 "[ ]" 1
612 1 76 PHE QD 1 77 LEU HG 4.000 . 7.000 4.187 4.187 4.187 . 0 0 "[ ]" 1
613 1 15 ILE QG 1 76 PHE QD 4.000 . 8.000 3.233 3.233 3.233 . 0 0 "[ ]" 1
614 1 76 PHE QD 1 77 LEU MD1 4.000 . 8.500 3.621 3.621 3.621 . 0 0 "[ ]" 1
615 1 76 PHE QD 1 77 LEU MD2 4.000 . 8.500 5.128 5.128 5.128 . 0 0 "[ ]" 1
616 1 75 GLU QB 1 76 PHE QD 4.000 . 8.500 3.658 3.658 3.658 . 0 0 "[ ]" 1
617 1 73 ILE HA 1 76 PHE QD 4.000 . 7.000 2.270 2.270 2.270 . 0 0 "[ ]" 1
618 1 15 ILE MG 1 76 PHE QE 4.000 . 8.500 2.851 2.851 2.851 . 0 0 "[ ]" 1
619 1 76 PHE QE 1 77 LEU HG 4.000 . 7.000 6.394 6.394 6.394 . 0 0 "[ ]" 1
620 1 15 ILE QG 1 76 PHE QE 4.000 . 8.000 4.648 4.648 4.648 . 0 0 "[ ]" 1
621 1 76 PHE QE 1 77 LEU QD 4.000 . 8.500 5.269 5.269 5.269 . 0 0 "[ ]" 1
622 1 75 GLU QB 1 76 PHE QE 4.000 . 8.500 3.940 3.940 3.940 . 0 0 "[ ]" 1
623 1 73 ILE HA 1 76 PHE QE 4.000 . 7.000 2.257 2.257 2.257 . 0 0 "[ ]" 1
624 1 76 PHE H 1 77 LEU H 3.000 . 4.000 2.684 2.684 2.684 . 0 0 "[ ]" 1
625 1 76 PHE HA 1 77 LEU H 4.000 . 5.000 3.535 3.535 3.535 . 0 0 "[ ]" 1
626 1 76 PHE HA 1 79 THR H 4.000 . 5.000 4.995 4.995 4.995 . 0 0 "[ ]" 1
627 1 76 PHE HB2 1 77 LEU H 4.000 . 5.000 2.233 2.233 2.233 . 0 0 "[ ]" 1
628 1 76 PHE H 1 76 PHE HB2 3.000 . 4.000 2.698 2.698 2.698 . 0 0 "[ ]" 1
629 1 76 PHE H 1 76 PHE HB3 4.000 . 5.000 3.628 3.628 3.628 . 0 0 "[ ]" 1
630 1 76 PHE HB3 1 76 PHE QD 3.000 . 6.000 2.745 2.745 2.745 . 0 0 "[ ]" 1
631 1 76 PHE HB2 1 76 PHE QD 3.000 . 6.000 2.308 2.308 2.308 . 0 0 "[ ]" 1
632 1 76 PHE H 1 76 PHE QD 4.000 . 7.000 3.024 3.024 3.024 . 0 0 "[ ]" 1
633 1 76 PHE QD 1 77 LEU HA 4.000 . 7.000 5.834 5.834 5.834 . 0 0 "[ ]" 1
634 1 77 LEU H 1 78 ALA H 3.000 . 4.000 2.879 2.879 2.879 . 0 0 "[ ]" 1
635 1 77 LEU QB 1 78 ALA H 4.000 . 6.000 3.771 3.771 3.771 . 0 0 "[ ]" 1
636 1 77 LEU H 1 77 LEU MD1 4.000 . 6.500 2.846 2.846 2.846 . 0 0 "[ ]" 1
637 1 77 LEU H 1 77 LEU MD2 4.000 . 6.500 3.857 3.857 3.857 . 0 0 "[ ]" 1
638 1 77 LEU HA 1 77 LEU HG 4.000 . 6.000 2.680 2.680 2.680 . 0 0 "[ ]" 1
639 1 78 ALA H 1 79 THR H 3.000 . 4.000 2.328 2.328 2.328 . 0 0 "[ ]" 1
640 1 78 ALA HA 1 79 THR H 4.000 . 5.000 3.536 3.536 3.536 . 0 0 "[ ]" 1
641 1 78 ALA MB 1 79 THR H 4.000 . 6.500 2.684 2.684 2.684 . 0 0 "[ ]" 1
642 1 79 THR HA 1 80 GLY QA 4.000 . 6.000 4.190 4.190 4.190 . 0 0 "[ ]" 1
643 1 78 ALA MB 1 79 THR HA 4.000 . 6.000 3.976 3.976 3.976 . 0 0 "[ ]" 1
644 1 79 THR H 1 80 GLY H 3.000 . 4.000 2.787 2.787 2.787 . 0 0 "[ ]" 1
645 1 79 THR HA 1 80 GLY H 3.000 . 4.000 2.958 2.958 2.958 . 0 0 "[ ]" 1
646 1 79 THR H 1 81 LYS H 4.000 . 5.000 4.999 4.999 4.999 . 0 0 "[ ]" 1
647 1 79 THR HB 1 80 GLY H 4.000 . 6.000 4.083 4.083 4.083 . 0 0 "[ ]" 1
648 1 79 THR H 1 79 THR HB 4.000 . 5.000 2.848 2.848 2.848 . 0 0 "[ ]" 1
649 1 79 THR H 1 79 THR MG 4.000 . 6.500 3.840 3.840 3.840 . 0 0 "[ ]" 1
650 1 80 GLY H 1 81 LYS H 4.000 . 5.000 2.481 2.481 2.481 . 0 0 "[ ]" 1
651 1 80 GLY QA 1 81 LYS H 3.000 . 5.000 2.812 2.812 2.812 . 0 0 "[ ]" 1
652 1 81 LYS HA 1 82 LEU H 4.000 . 5.000 2.915 2.915 2.915 . 0 0 "[ ]" 1
653 1 81 LYS H 1 82 LEU H 4.000 . 5.000 2.920 2.920 2.920 . 0 0 "[ ]" 1
654 1 81 LYS H 1 81 LYS HA 3.000 . 4.000 2.975 2.975 2.975 . 0 0 "[ ]" 1
655 1 81 LYS HA 1 81 LYS QB 2.500 . 3.700 2.503 2.503 2.503 . 0 0 "[ ]" 1
656 1 81 LYS HA 1 81 LYS QG 3.000 . 4.600 2.276 2.276 2.276 . 0 0 "[ ]" 1
657 1 81 LYS QB 1 81 LYS QD 3.000 . 6.000 2.184 2.184 2.184 . 0 0 "[ ]" 1
658 1 82 LEU H 1 83 ARG H 4.000 . 5.000 4.666 4.666 4.666 . 0 0 "[ ]" 1
659 1 82 LEU HA 1 83 ARG H 4.000 . 5.000 2.456 2.456 2.456 . 0 0 "[ ]" 1
660 1 82 LEU H 1 82 LEU HA 3.000 . 4.000 2.875 2.875 2.875 . 0 0 "[ ]" 1
661 1 82 LEU HA 1 82 LEU QD 4.000 . 7.900 2.805 2.805 2.805 . 0 0 "[ ]" 1
662 1 82 LEU HA 1 82 LEU QB 2.500 . 3.700 2.443 2.443 2.443 . 0 0 "[ ]" 1
663 1 82 LEU QB 1 82 LEU HG 2.500 . 3.700 2.448 2.448 2.448 . 0 0 "[ ]" 1
664 1 82 LEU MD1 1 82 LEU MD2 2.500 . 5.700 2.055 2.055 2.055 . 0 0 "[ ]" 1
665 1 82 LEU H 1 82 LEU HG 3.000 . 4.000 3.496 3.496 3.496 . 0 0 "[ ]" 1
666 1 82 LEU H 1 82 LEU QD 4.000 . 7.900 1.941 1.941 1.941 . 0 0 "[ ]" 1
667 1 83 ARG H 1 84 LYS H 4.000 . 5.000 4.571 4.571 4.571 . 0 0 "[ ]" 1
668 1 83 ARG HA 1 84 LYS H 4.000 . 4.000 2.612 2.612 2.612 . 0 0 "[ ]" 1
669 1 83 ARG QB 1 84 LYS H 4.000 . 6.000 2.137 2.137 2.137 . 0 0 "[ ]" 1
670 1 83 ARG H 1 83 ARG QG 4.000 . 6.000 2.282 2.282 2.282 . 0 0 "[ ]" 1
671 1 83 ARG HA 1 83 ARG QB 2.500 . 3.700 2.359 2.359 2.359 . 0 0 "[ ]" 1
672 1 83 ARG HA 1 83 ARG QG 3.000 . 4.000 2.332 2.332 2.332 . 0 0 "[ ]" 1
673 1 83 ARG QB 1 83 ARG QD 3.000 . 5.600 2.023 2.023 2.023 . 0 0 "[ ]" 1
674 1 84 LYS HA 1 85 LEU H 4.000 . 5.000 2.958 2.958 2.958 . 0 0 "[ ]" 1
675 1 84 LYS H 1 85 LEU H 4.000 . 5.000 2.498 2.498 2.498 . 0 0 "[ ]" 1
676 1 84 LYS H 1 84 LYS HA 3.000 . 4.000 2.992 2.992 2.992 . 0 0 "[ ]" 1
677 1 84 LYS HA 1 84 LYS QB 2.500 . 3.700 2.482 2.482 2.482 . 0 0 "[ ]" 1
678 1 84 LYS HA 1 84 LYS QG 3.000 . 4.600 2.119 2.119 2.119 . 0 0 "[ ]" 1
679 1 84 LYS QB 1 84 LYS QD 3.000 . 5.600 2.231 2.231 2.231 . 0 0 "[ ]" 1
680 1 85 LEU H 1 86 GLU H 4.000 . 5.000 3.640 3.640 3.640 . 0 0 "[ ]" 1
681 1 85 LEU HA 1 86 GLU H 4.000 . 5.000 2.224 2.224 2.224 . 0 0 "[ ]" 1
682 1 85 LEU HA 1 85 LEU QD 4.000 . 7.900 2.793 2.793 2.793 . 0 0 "[ ]" 1
683 1 85 LEU HA 1 85 LEU QB 2.500 . 3.700 2.507 2.507 2.507 . 0 0 "[ ]" 1
684 1 85 LEU QB 1 85 LEU HG 2.500 . 3.700 2.495 2.495 2.495 . 0 0 "[ ]" 1
685 1 85 LEU MD1 1 85 LEU MD2 2.500 . 5.700 2.065 2.065 2.065 . 0 0 "[ ]" 1
686 1 85 LEU H 1 85 LEU HG 3.000 . 4.000 3.598 3.598 3.598 . 0 0 "[ ]" 1
687 1 85 LEU H 1 85 LEU QD 4.000 . 7.900 2.759 2.759 2.759 . 0 0 "[ ]" 1
688 1 86 GLU HA 1 87 LYS H 4.000 . 5.000 2.206 2.206 2.206 . 0 0 "[ ]" 1
689 1 86 GLU H 1 87 LYS H 4.000 . 5.000 4.555 4.555 4.555 . 0 0 "[ ]" 1
690 1 86 GLU H 1 86 GLU HA 3.000 . 4.000 2.952 2.952 2.952 . 0 0 "[ ]" 1
691 1 86 GLU HA 1 86 GLU QB 2.500 . 3.700 2.502 2.502 2.502 . 0 0 "[ ]" 1
692 1 86 GLU HA 1 86 GLU QG 3.000 . 5.000 2.215 2.215 2.215 . 0 0 "[ ]" 1
693 1 86 GLU H 1 86 GLU QB 3.000 . 4.600 2.187 2.187 2.187 . 0 0 "[ ]" 1
694 1 86 GLU H 1 86 GLU QG 4.000 . 6.000 3.114 3.114 3.114 . 0 0 "[ ]" 1
695 1 87 LYS H 1 87 LYS HA 3.000 . 4.000 2.345 2.345 2.345 . 0 0 "[ ]" 1
696 1 87 LYS HA 1 87 LYS QB 2.500 . 3.700 2.415 2.415 2.415 . 0 0 "[ ]" 1
697 1 87 LYS HA 1 87 LYS QG 3.000 . 4.600 2.188 2.188 2.188 . 0 0 "[ ]" 1
698 1 87 LYS QB 1 87 LYS QD 3.000 . 5.600 2.113 2.113 2.113 . 0 0 "[ ]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 44
_Distance_constraint_stats_list.Viol_count 9
_Distance_constraint_stats_list.Viol_total 0.491
_Distance_constraint_stats_list.Viol_max 0.135
_Distance_constraint_stats_list.Viol_rms 0.0288
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0112
_Distance_constraint_stats_list.Viol_average_violations_only 0.0546
_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 15 ILE 0.000 0.000 . 0 "[ ]"
1 16 THR 0.000 0.000 . 0 "[ ]"
1 17 ASP 0.000 0.000 . 0 "[ ]"
1 18 MET 0.081 0.081 1 0 "[ ]"
1 19 LEU 0.073 0.073 1 0 "[ ]"
1 20 VAL 0.000 0.000 . 0 "[ ]"
1 21 GLU 0.135 0.135 1 0 "[ ]"
1 22 LEU 0.081 0.081 1 0 "[ ]"
1 23 ALA 0.073 0.073 1 0 "[ ]"
1 24 ASN 0.000 0.000 . 0 "[ ]"
1 25 PHE 0.135 0.135 1 0 "[ ]"
1 37 ASN 0.000 0.000 . 0 "[ ]"
1 38 ALA 0.000 0.000 . 0 "[ ]"
1 39 TYR 0.000 0.000 . 0 "[ ]"
1 40 ARG 0.050 0.050 1 0 "[ ]"
1 41 LYS 0.000 0.000 . 0 "[ ]"
1 42 ALA 0.000 0.000 . 0 "[ ]"
1 43 ALA 0.000 0.000 . 0 "[ ]"
1 44 SER 0.050 0.050 1 0 "[ ]"
1 45 VAL 0.000 0.000 . 0 "[ ]"
1 46 ILE 0.000 0.000 . 0 "[ ]"
1 47 ALA 0.000 0.000 . 0 "[ ]"
1 57 ALA 0.000 0.000 . 0 "[ ]"
1 58 GLU 0.015 0.015 1 0 "[ ]"
1 61 LYS 0.000 0.000 . 0 "[ ]"
1 62 LEU 0.015 0.015 1 0 "[ ]"
1 69 ILE 0.000 0.000 . 0 "[ ]"
1 70 ALA 0.003 0.003 1 0 "[ ]"
1 71 GLU 0.000 0.000 . 0 "[ ]"
1 72 LYS 0.000 0.000 . 0 "[ ]"
1 73 ILE 0.119 0.078 1 0 "[ ]"
1 74 ASP 0.018 0.015 1 0 "[ ]"
1 75 GLU 0.000 0.000 . 0 "[ ]"
1 76 PHE 0.000 0.000 . 0 "[ ]"
1 77 LEU 0.119 0.078 1 0 "[ ]"
1 78 ALA 0.015 0.015 1 0 "[ ]"
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 15 ILE O 1 19 LEU N 3.300 2.500 3.500 3.049 3.049 3.049 . 0 0 "[ ]" 2
2 1 16 THR O 1 20 VAL N 3.300 2.500 3.500 3.114 3.114 3.114 . 0 0 "[ ]" 2
3 1 17 ASP O 1 21 GLU N 3.300 2.500 3.500 3.083 3.083 3.083 . 0 0 "[ ]" 2
4 1 18 MET O 1 22 LEU N 3.300 2.500 3.500 3.500 3.500 3.500 . 0 0 "[ ]" 2
5 1 19 LEU O 1 23 ALA N 3.300 2.500 3.500 3.494 3.494 3.494 . 0 0 "[ ]" 2
6 1 20 VAL O 1 24 ASN N 3.300 2.500 3.500 2.920 2.920 2.920 . 0 0 "[ ]" 2
7 1 21 GLU O 1 25 PHE N 3.300 2.500 3.500 3.132 3.132 3.132 . 0 0 "[ ]" 2
8 1 37 ASN O 1 41 LYS N 3.300 2.500 3.500 3.164 3.164 3.164 . 0 0 "[ ]" 2
9 1 38 ALA O 1 42 ALA N 3.300 2.500 3.500 3.164 3.164 3.164 . 0 0 "[ ]" 2
10 1 39 TYR O 1 43 ALA N 3.300 2.500 3.500 3.020 3.020 3.020 . 0 0 "[ ]" 2
11 1 40 ARG O 1 44 SER N 3.300 2.500 3.500 3.203 3.203 3.203 . 0 0 "[ ]" 2
12 1 41 LYS O 1 45 VAL N 3.300 2.500 3.500 3.210 3.210 3.210 . 0 0 "[ ]" 2
13 1 42 ALA O 1 46 ILE N 3.300 2.500 3.500 3.050 3.050 3.050 . 0 0 "[ ]" 2
14 1 43 ALA O 1 47 ALA N 3.300 2.500 3.500 3.118 3.118 3.118 . 0 0 "[ ]" 2
15 1 57 ALA O 1 61 LYS N 3.300 2.500 3.500 3.391 3.391 3.391 . 0 0 "[ ]" 2
16 1 58 GLU O 1 62 LEU N 3.300 2.500 3.500 3.387 3.387 3.387 . 0 0 "[ ]" 2
17 1 69 ILE O 1 73 ILE N 3.300 2.500 3.500 3.148 3.148 3.148 . 0 0 "[ ]" 2
18 1 70 ALA O 1 74 ASP N 3.300 2.500 3.500 3.462 3.462 3.462 . 0 0 "[ ]" 2
19 1 71 GLU O 1 75 GLU N 3.300 2.500 3.500 3.023 3.023 3.023 . 0 0 "[ ]" 2
20 1 72 LYS O 1 76 PHE N 3.300 2.500 3.500 3.326 3.326 3.326 . 0 0 "[ ]" 2
21 1 73 ILE O 1 77 LEU N 3.300 2.500 3.500 3.541 3.541 3.541 0.041 1 0 "[ ]" 2
22 1 74 ASP O 1 78 ALA N 3.300 2.500 3.500 2.583 2.583 2.583 . 0 0 "[ ]" 2
23 1 15 ILE O 1 19 LEU H 2.300 . 2.500 2.207 2.207 2.207 . 0 0 "[ ]" 2
24 1 16 THR O 1 20 VAL H 2.300 . 2.500 2.215 2.215 2.215 . 0 0 "[ ]" 2
25 1 17 ASP O 1 21 GLU H 2.300 . 2.500 2.412 2.412 2.412 . 0 0 "[ ]" 2
26 1 18 MET O 1 22 LEU H 2.300 . 2.500 2.581 2.581 2.581 0.081 1 0 "[ ]" 2
27 1 19 LEU O 1 23 ALA H 2.300 . 2.500 2.573 2.573 2.573 0.073 1 0 "[ ]" 2
28 1 20 VAL O 1 24 ASN H 2.300 . 2.500 2.204 2.204 2.204 . 0 0 "[ ]" 2
29 1 21 GLU O 1 25 PHE H 2.300 . 2.500 2.635 2.635 2.635 0.135 1 0 "[ ]" 2
30 1 37 ASN O 1 41 LYS H 2.300 . 2.500 2.228 2.228 2.228 . 0 0 "[ ]" 2
31 1 38 ALA O 1 42 ALA H 2.300 . 2.500 2.240 2.240 2.240 . 0 0 "[ ]" 2
32 1 39 TYR O 1 43 ALA H 2.300 . 2.500 2.216 2.216 2.216 . 0 0 "[ ]" 2
33 1 40 ARG O 1 44 SER H 2.300 . 2.500 2.550 2.550 2.550 0.050 1 0 "[ ]" 2
34 1 41 LYS O 1 45 VAL H 2.300 . 2.500 2.320 2.320 2.320 . 0 0 "[ ]" 2
35 1 42 ALA O 1 46 ILE H 2.300 . 2.500 2.226 2.226 2.226 . 0 0 "[ ]" 2
36 1 43 ALA O 1 47 ALA H 2.300 . 2.500 2.207 2.207 2.207 . 0 0 "[ ]" 2
37 1 57 ALA O 1 61 LYS H 2.300 . 2.500 2.498 2.498 2.498 . 0 0 "[ ]" 2
38 1 58 GLU O 1 62 LEU H 2.300 . 2.500 2.515 2.515 2.515 0.015 1 0 "[ ]" 2
39 1 69 ILE O 1 73 ILE H 2.300 . 2.500 2.327 2.327 2.327 . 0 0 "[ ]" 2
40 1 70 ALA O 1 74 ASP H 2.300 . 2.500 2.503 2.503 2.503 0.003 1 0 "[ ]" 2
41 1 71 GLU O 1 75 GLU H 2.300 . 2.500 2.237 2.237 2.237 . 0 0 "[ ]" 2
42 1 72 LYS O 1 76 PHE H 2.300 . 2.500 2.494 2.494 2.494 . 0 0 "[ ]" 2
43 1 73 ILE O 1 77 LEU H 2.300 . 2.500 2.578 2.578 2.578 0.078 1 0 "[ ]" 2
44 1 74 ASP O 1 78 ALA H 2.300 . 2.500 2.515 2.515 2.515 0.015 1 0 "[ ]" 2
stop_
save_
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