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 |
|
|
376123 |
1fd6   |
5151 | cing | recoord | dress | 4-filtered-FRED | Wattos | check | violation | distance |
data_1fd6
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 551
_Distance_constraint_stats_list.Viol_count 909
_Distance_constraint_stats_list.Viol_total 3918.697
_Distance_constraint_stats_list.Viol_max 0.265
_Distance_constraint_stats_list.Viol_rms 0.0262
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0044
_Distance_constraint_stats_list.Viol_average_violations_only 0.1078
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 MET 0.020 0.008 6 0 "[ . 1 . 2 . 3 . 4]"
1 2 THR 0.127 0.088 24 0 "[ . 1 . 2 . 3 . 4]"
1 3 THR 9.424 0.265 18 0 "[ . 1 . 2 . 3 . 4]"
1 4 PHE 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 5 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 6 LEU 0.727 0.065 30 0 "[ . 1 . 2 . 3 . 4]"
1 7 ILE 1.468 0.062 21 0 "[ . 1 . 2 . 3 . 4]"
1 8 ILE 1.327 0.063 18 0 "[ . 1 . 2 . 3 . 4]"
1 9 ASN 1.986 0.079 32 0 "[ . 1 . 2 . 3 . 4]"
1 10 GLY 5.745 0.125 38 0 "[ . 1 . 2 . 3 . 4]"
1 11 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 12 THR 0.113 0.045 17 0 "[ . 1 . 2 . 3 . 4]"
1 13 LEU 4.181 0.214 37 0 "[ . 1 . 2 . 3 . 4]"
1 14 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 15 GLY 1.327 0.063 18 0 "[ . 1 . 2 . 3 . 4]"
1 16 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 17 THR 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 18 THR 0.007 0.007 6 0 "[ . 1 . 2 . 3 . 4]"
1 19 THR 0.082 0.043 23 0 "[ . 1 . 2 . 3 . 4]"
1 20 GLU 0.165 0.043 23 0 "[ . 1 . 2 . 3 . 4]"
1 21 ALA 0.290 0.088 24 0 "[ . 1 . 2 . 3 . 4]"
1 22 VAL 3.478 0.212 19 0 "[ . 1 . 2 . 3 . 4]"
1 23 ASP 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 24 ALA 4.530 0.126 9 0 "[ . 1 . 2 . 3 . 4]"
1 25 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 26 THR 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 27 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 28 GLU 3.340 0.127 20 0 "[ . 1 . 2 . 3 . 4]"
1 29 LYS 0.267 0.024 14 0 "[ . 1 . 2 . 3 . 4]"
1 30 VAL 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 31 PHE 0.273 0.024 14 0 "[ . 1 . 2 . 3 . 4]"
1 32 LYS 3.699 0.127 20 0 "[ . 1 . 2 . 3 . 4]"
1 33 GLN 7.252 0.188 15 0 "[ . 1 . 2 . 3 . 4]"
1 34 TYR 7.252 0.188 15 0 "[ . 1 . 2 . 3 . 4]"
1 35 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 36 ASN 4.843 0.134 11 0 "[ . 1 . 2 . 3 . 4]"
1 37 ASP 0.001 0.001 22 0 "[ . 1 . 2 . 3 . 4]"
1 38 ASN 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 39 GLY 0.001 0.001 22 0 "[ . 1 . 2 . 3 . 4]"
1 40 ILE 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 41 ASP 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 42 GLY 2.982 0.089 32 0 "[ . 1 . 2 . 3 . 4]"
1 43 GLU 16.266 0.265 37 0 "[ . 1 . 2 . 3 . 4]"
1 44 TRP 9.782 0.196 21 0 "[ . 1 . 2 . 3 . 4]"
1 45 THR 3.038 0.090 20 0 "[ . 1 . 2 . 3 . 4]"
1 46 TYR 9.084 0.175 40 0 "[ . 1 . 2 . 3 . 4]"
1 47 ASP 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 48 ASP 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 49 ALA 4.082 0.114 40 0 "[ . 1 . 2 . 3 . 4]"
1 50 THR 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 51 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 52 THR 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 53 PHE 0.271 0.037 9 0 "[ . 1 . 2 . 3 . 4]"
1 54 THR 7.515 0.175 40 0 "[ . 1 . 2 . 3 . 4]"
1 55 VAL 16.582 0.265 34 0 "[ . 1 . 2 . 3 . 4]"
1 56 THR 4.912 0.146 16 0 "[ . 1 . 2 . 3 . 4]"
1 57 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 MET HA 1 2 THR H 2.500 . 2.700 2.448 2.203 2.708 0.008 6 0 "[ . 1 . 2 . 3 . 4]" 1
2 1 1 MET QB 1 2 THR H 4.000 . 5.000 2.695 1.994 3.727 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
3 1 1 MET QB 1 21 ALA H 4.000 . 5.000 3.812 2.829 4.466 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
4 1 2 THR H 1 2 THR HB 4.000 . 5.000 2.510 2.396 2.899 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
5 1 2 THR H 1 2 THR MG 4.000 . 5.500 3.729 2.048 3.973 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
6 1 2 THR HA 1 2 THR HB 3.000 . 3.300 3.021 2.460 3.040 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
7 1 2 THR HA 1 2 THR MG 3.000 . 3.800 2.330 2.176 3.198 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
8 1 2 THR HA 1 3 THR H 2.500 . 2.700 2.243 2.212 2.706 0.006 24 0 "[ . 1 . 2 . 3 . 4]" 1
9 1 2 THR MG 1 3 THR H 3.000 . 3.800 3.070 1.989 3.189 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
10 1 2 THR HB 1 4 PHE HZ 4.000 . 5.000 3.690 3.216 4.920 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
11 1 2 THR MG 1 4 PHE HB2 4.000 . 5.500 4.607 4.567 4.647 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
12 1 2 THR MG 1 4 PHE HZ 3.000 . 3.800 2.262 2.193 2.563 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
13 1 2 THR H 1 21 ALA H 4.000 . 5.000 3.795 2.612 4.723 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
14 1 2 THR HB 1 21 ALA H 4.000 . 5.000 4.119 3.303 5.088 0.088 24 0 "[ . 1 . 2 . 3 . 4]" 1
15 1 2 THR H 1 22 VAL H 4.000 . 5.000 4.698 4.181 5.011 0.011 30 0 "[ . 1 . 2 . 3 . 4]" 1
16 1 2 THR MG 1 23 ASP QB 4.000 . 5.500 4.098 4.063 4.128 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
17 1 2 THR MG 1 51 LYS QD 4.000 . 5.500 3.732 3.305 4.100 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
18 1 3 THR H 1 3 THR HA 2.500 . 2.700 2.931 2.895 2.965 0.265 18 0 "[ . 1 . 2 . 3 . 4]" 1
19 1 3 THR H 1 3 THR HB 2.500 . 2.700 2.563 2.403 2.726 0.026 23 0 "[ . 1 . 2 . 3 . 4]" 1
20 1 3 THR H 1 3 THR MG 4.000 . 5.500 3.395 1.924 3.893 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
21 1 3 THR HA 1 4 PHE H 2.500 . 2.700 2.306 2.236 2.435 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
22 1 3 THR MG 1 4 PHE H 4.000 . 5.500 3.576 3.140 4.161 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
23 1 3 THR HA 1 20 GLU HA 3.000 . 3.300 3.179 2.785 3.325 0.025 40 0 "[ . 1 . 2 . 3 . 4]" 1
24 1 4 PHE H 1 4 PHE HA 3.000 . 3.300 2.926 2.864 2.975 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
25 1 4 PHE H 1 4 PHE HB3 4.000 . 5.000 3.536 3.513 3.577 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
26 1 4 PHE H 1 4 PHE HB2 4.000 . 5.000 2.285 2.184 2.405 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
27 1 4 PHE H 1 4 PHE QD 4.000 . 5.000 2.245 2.023 2.530 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
28 1 4 PHE HA 1 4 PHE HB3 3.000 . 3.300 2.538 2.473 2.592 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
29 1 4 PHE HA 1 4 PHE QD 4.000 . 5.000 2.781 2.597 2.895 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
30 1 4 PHE HB3 1 4 PHE QD 3.000 . 3.300 2.455 2.413 2.519 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
31 1 4 PHE HA 1 5 LYS H 2.500 . 2.700 2.522 2.442 2.639 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
32 1 4 PHE HB3 1 5 LYS H 4.000 . 5.000 2.436 2.206 2.632 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
33 1 4 PHE HB2 1 5 LYS H 4.000 . 5.000 3.637 3.424 3.883 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
34 1 4 PHE H 1 19 THR H 4.000 . 5.000 3.876 3.445 4.401 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
35 1 4 PHE H 1 19 THR MG 4.000 . 5.500 3.299 2.307 3.927 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
36 1 4 PHE HB2 1 19 THR H 4.000 . 5.000 4.460 3.662 4.866 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
37 1 4 PHE HB2 1 19 THR MG 4.000 . 5.500 2.986 1.972 3.622 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
38 1 4 PHE HZ 1 21 ALA MB 4.000 . 5.500 4.582 4.263 4.615 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
39 1 4 PHE QD 1 21 ALA H 4.000 . 5.000 3.642 3.264 4.062 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
40 1 4 PHE QD 1 21 ALA MB 2.500 . 3.200 2.200 1.929 2.378 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
41 1 4 PHE QE 1 21 ALA H 4.000 . 5.000 4.404 4.155 4.486 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
42 1 4 PHE HZ 1 23 ASP HA 3.000 . 3.300 2.003 1.964 2.195 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
43 1 4 PHE HZ 1 24 ALA H 4.000 . 5.000 2.180 2.047 2.441 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
44 1 4 PHE HB3 1 27 ALA MB 4.000 . 5.500 2.844 2.570 3.180 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
45 1 4 PHE HB2 1 27 ALA MB 4.000 . 5.500 2.283 1.992 2.911 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
46 1 4 PHE HB3 1 31 PHE HZ 4.000 . 5.000 4.670 3.617 4.991 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
47 1 4 PHE HB3 1 31 PHE QE 3.000 . 3.300 2.721 2.270 2.955 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
48 1 4 PHE HB2 1 31 PHE HZ 4.000 . 5.000 3.987 2.679 4.217 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
49 1 4 PHE HB2 1 31 PHE QE 3.000 . 3.300 2.003 1.966 2.842 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
50 1 4 PHE QD 1 46 TYR QD 4.000 . 5.000 3.628 3.298 3.853 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
51 1 4 PHE QE 1 51 LYS QD 4.000 . 5.000 3.394 3.054 3.903 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
52 1 4 PHE HB3 1 53 PHE QD 4.000 . 5.000 2.302 2.059 2.618 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
53 1 4 PHE HB2 1 53 PHE QD 4.000 . 5.000 3.659 3.309 3.957 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
54 1 4 PHE HB2 1 53 PHE QE 3.000 . 3.300 2.962 2.946 2.981 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
55 1 5 LYS HA 1 6 LEU H 2.500 . 2.700 2.222 2.205 2.291 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
56 1 5 LYS QB 1 6 LEU H 4.000 . 5.000 3.708 3.202 3.982 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
57 1 5 LYS QG 1 17 THR H 4.000 . 5.000 3.725 2.749 4.460 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
58 1 5 LYS HA 1 18 THR HA 3.000 . 3.300 2.634 2.074 2.999 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
59 1 5 LYS HA 1 18 THR MG 3.000 . 3.800 2.766 2.075 3.171 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
60 1 5 LYS HA 1 19 THR H 4.000 . 5.000 4.373 3.978 4.729 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
61 1 5 LYS H 1 31 PHE QE 4.000 . 5.000 3.899 2.431 4.435 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
62 1 5 LYS HA 1 31 PHE HZ 4.000 . 5.000 3.021 2.357 3.851 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
63 1 5 LYS H 1 52 THR HA 4.000 . 5.000 2.158 1.973 2.579 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
64 1 5 LYS QB 1 52 THR HA 4.000 . 5.000 2.467 2.184 2.728 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
65 1 6 LEU H 1 6 LEU HB3 2.500 . 2.700 2.506 2.314 2.765 0.065 30 0 "[ . 1 . 2 . 3 . 4]" 1
66 1 6 LEU H 1 6 LEU HB2 4.000 . 5.000 2.639 2.221 3.055 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
67 1 6 LEU H 1 6 LEU QD 4.000 . 5.500 3.775 3.641 3.887 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
68 1 6 LEU HA 1 6 LEU QD 3.000 . 3.800 2.065 1.856 2.289 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
69 1 6 LEU HA 1 7 ILE H 2.500 . 2.700 2.235 2.211 2.294 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
70 1 6 LEU QD 1 7 ILE H 3.000 . 3.800 2.524 2.278 2.727 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
71 1 6 LEU QD 1 8 ILE QG 4.000 . 5.500 3.429 2.205 3.665 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
72 1 6 LEU HB3 1 17 THR H 4.000 . 5.000 3.741 3.281 4.173 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
73 1 6 LEU H 1 18 THR HA 4.000 . 5.000 3.623 3.186 4.212 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
74 1 6 LEU HB2 1 31 PHE HZ 4.000 . 5.000 3.997 3.513 4.551 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
75 1 6 LEU HB2 1 31 PHE QD 4.000 . 5.000 2.878 2.734 3.104 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
76 1 6 LEU HB2 1 31 PHE QE 4.000 . 5.000 3.284 2.954 3.549 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
77 1 6 LEU QD 1 31 PHE HB3 2.500 . 3.200 2.034 1.915 2.400 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
78 1 6 LEU QD 1 31 PHE HB2 4.000 . 5.500 3.398 3.213 3.737 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
79 1 6 LEU QD 1 31 PHE QD 3.000 . 3.800 2.134 1.944 2.530 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
80 1 6 LEU HB3 1 34 TYR QE 4.000 . 5.000 4.164 3.671 4.476 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
81 1 6 LEU QD 1 34 TYR QD 3.000 . 3.800 2.058 1.918 2.530 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
82 1 6 LEU QD 1 34 TYR QE 2.500 . 3.200 2.137 2.124 2.149 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
83 1 6 LEU QD 1 35 ALA MB 3.000 . 4.300 2.636 2.466 2.681 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
84 1 6 LEU QD 1 44 TRP HE3 4.000 . 5.500 3.340 3.145 3.526 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
85 1 6 LEU QD 1 44 TRP HZ3 2.500 . 3.200 2.186 1.965 2.398 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
86 1 6 LEU QD 1 44 TRP HH2 3.000 . 3.800 1.886 1.831 2.424 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
87 1 6 LEU HA 1 53 PHE H 4.000 . 5.000 3.076 2.934 3.527 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
88 1 6 LEU QD 1 53 PHE QB 3.000 . 3.800 1.844 1.763 1.948 0.037 9 0 "[ . 1 . 2 . 3 . 4]" 1
89 1 6 LEU QD 1 53 PHE QD 4.000 . 5.500 3.560 3.397 3.709 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
90 1 6 LEU QD 1 54 THR HA 4.000 . 5.500 3.278 3.099 3.578 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
91 1 6 LEU QD 1 55 VAL H 3.000 . 3.800 2.815 2.728 2.845 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
92 1 6 LEU QD 1 55 VAL HB 3.000 . 3.800 2.848 2.828 2.878 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
93 1 7 ILE H 1 7 ILE HB 3.000 . 3.300 2.182 2.111 2.388 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
94 1 7 ILE H 1 7 ILE MD 4.000 . 5.500 3.663 3.410 4.015 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
95 1 7 ILE H 1 7 ILE QG 4.000 . 5.000 3.987 3.806 4.073 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
96 1 7 ILE HA 1 7 ILE QG 3.000 . 3.300 2.401 2.038 2.568 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
97 1 7 ILE HB 1 7 ILE QG 2.500 . 2.700 2.438 2.401 2.476 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
98 1 7 ILE HA 1 8 ILE H 2.500 . 2.700 2.520 2.201 2.577 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
99 1 7 ILE QG 1 9 ASN HD21 4.000 . 5.000 3.474 2.693 4.271 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
100 1 7 ILE QG 1 9 ASN HD22 4.000 . 5.000 3.643 2.509 4.453 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
101 1 7 ILE QG 1 15 GLY H 4.000 . 5.000 4.445 4.319 4.489 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
102 1 7 ILE HA 1 16 GLU HA 3.000 . 3.300 2.596 2.273 2.991 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
103 1 7 ILE H 1 52 THR MG 4.000 . 5.500 3.231 2.919 3.711 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
104 1 7 ILE MD 1 52 THR MG 3.000 . 4.300 2.944 2.712 3.002 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
105 1 7 ILE H 1 54 THR HA 3.000 . 3.300 2.721 2.577 2.833 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
106 1 7 ILE H 1 54 THR MG 4.000 . 5.500 4.336 4.084 4.425 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
107 1 7 ILE HB 1 54 THR HA 2.500 . 2.700 2.737 2.709 2.762 0.062 21 0 "[ . 1 . 2 . 3 . 4]" 1
108 1 7 ILE HB 1 54 THR MG 4.000 . 5.500 3.188 2.872 3.296 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
109 1 8 ILE H 1 8 ILE HB 3.000 . 3.300 2.609 2.393 2.666 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
110 1 8 ILE H 1 8 ILE MG 4.000 . 5.500 3.856 3.740 3.882 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
111 1 8 ILE H 1 8 ILE MD 4.000 . 5.500 3.850 2.885 4.019 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
112 1 8 ILE H 1 8 ILE QG 4.000 . 5.000 2.723 2.382 2.798 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
113 1 8 ILE HA 1 8 ILE MG 2.500 . 3.200 2.403 2.285 2.459 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
114 1 8 ILE HA 1 9 ASN H 2.500 . 2.700 2.497 2.449 2.577 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
115 1 8 ILE MG 1 9 ASN H 4.000 . 5.500 3.819 3.777 3.910 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
116 1 8 ILE MG 1 10 GLY H 4.000 . 5.500 2.550 2.436 2.776 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
117 1 8 ILE MG 1 14 LYS HA 4.000 . 5.500 2.301 2.009 2.575 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
118 1 8 ILE H 1 15 GLY H 3.000 . 3.300 3.328 3.194 3.363 0.063 18 0 "[ . 1 . 2 . 3 . 4]" 1
119 1 8 ILE HB 1 15 GLY H 2.500 . 2.700 2.022 1.979 2.434 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
120 1 8 ILE MG 1 15 GLY H 4.000 . 5.500 3.263 3.109 3.639 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
121 1 8 ILE QG 1 15 GLY H 4.000 . 5.000 3.972 3.624 4.463 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
122 1 8 ILE H 1 16 GLU HA 4.000 . 5.000 3.514 3.003 3.971 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
123 1 8 ILE MD 1 34 TYR QE 4.000 . 5.500 3.349 1.878 3.802 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
124 1 8 ILE HA 1 55 VAL MG1 3.000 . 3.800 3.154 3.028 3.189 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
125 1 9 ASN H 1 9 ASN HB3 4.000 . 5.000 3.340 3.184 3.603 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
126 1 9 ASN H 1 9 ASN HB2 4.000 . 5.000 2.133 2.077 2.375 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
127 1 9 ASN HB3 1 9 ASN HD22 4.000 . 5.000 3.870 3.708 3.995 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
128 1 9 ASN HB2 1 9 ASN HD22 4.000 . 5.000 3.542 3.509 3.638 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
129 1 9 ASN H 1 10 GLY H 4.000 . 6.000 3.195 3.119 3.374 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
130 1 9 ASN HA 1 10 GLY H 2.500 . 2.700 2.750 2.707 2.779 0.079 32 0 "[ . 1 . 2 . 3 . 4]" 1
131 1 9 ASN HA 1 14 LYS QG 4.000 . 5.000 3.570 3.236 4.023 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
132 1 9 ASN HD21 1 54 THR MG 4.000 . 5.500 3.335 2.910 3.764 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
133 1 9 ASN HD22 1 54 THR MG 4.000 . 5.500 4.307 3.217 4.590 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
134 1 9 ASN H 1 55 VAL H 4.000 . 5.000 4.148 3.917 4.376 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
135 1 9 ASN H 1 55 VAL MG1 4.000 . 5.500 2.958 2.858 3.041 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
136 1 9 ASN HD21 1 56 THR MG 4.000 . 5.500 3.706 2.909 4.244 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
137 1 9 ASN HD22 1 56 THR MG 4.000 . 5.500 4.338 3.959 4.580 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
138 1 9 ASN HB2 1 57 GLU H 4.000 . 5.000 4.494 3.929 4.925 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
139 1 10 GLY H 1 10 GLY HA3 3.000 . 3.300 2.456 2.411 2.491 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
140 1 10 GLY HA2 1 11 LYS H 3.000 . 3.300 2.375 2.296 2.464 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
141 1 10 GLY HA3 1 13 LEU H 3.000 . 3.300 3.394 3.349 3.425 0.125 38 0 "[ . 1 . 2 . 3 . 4]" 1
142 1 10 GLY H 1 14 LYS HA 4.000 . 5.000 3.787 3.676 3.891 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
143 1 10 GLY H 1 14 LYS QG 4.000 . 5.000 4.055 3.443 4.464 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
144 1 10 GLY HA3 1 40 ILE MG 3.000 . 3.800 3.178 3.139 3.201 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
145 1 10 GLY HA2 1 57 GLU H 3.000 . 3.300 2.099 1.967 2.454 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
146 1 10 GLY HA2 1 57 GLU QG 4.000 . 6.000 3.668 1.841 4.447 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
147 1 11 LYS H 1 11 LYS HA 3.000 . 3.300 2.917 2.879 2.947 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
148 1 11 LYS H 1 11 LYS QB 3.000 . 3.300 2.263 2.107 2.568 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
149 1 11 LYS H 1 11 LYS QG 4.000 . 5.000 3.220 1.943 4.012 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
150 1 11 LYS HA 1 11 LYS QB 2.500 . 2.700 2.373 2.202 2.468 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
151 1 11 LYS H 1 12 THR H 4.000 . 5.000 2.623 2.538 2.668 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
152 1 11 LYS QB 1 12 THR H 4.000 . 5.000 3.379 3.076 3.912 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
153 1 11 LYS H 1 57 GLU QB 4.000 . 5.000 2.367 1.969 4.329 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
154 1 11 LYS H 1 57 GLU QG 4.000 . 5.000 3.723 2.088 4.440 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
155 1 12 THR H 1 12 THR HA 3.000 . 3.300 2.973 2.938 2.999 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
156 1 12 THR H 1 12 THR HB 2.500 . 2.700 2.551 2.414 2.745 0.045 17 0 "[ . 1 . 2 . 3 . 4]" 1
157 1 12 THR H 1 12 THR MG 4.000 . 5.500 3.630 1.915 3.835 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
158 1 12 THR HA 1 12 THR MG 3.000 . 3.800 2.360 2.137 3.210 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
159 1 12 THR H 1 13 LEU H 2.500 . 2.700 2.185 1.984 2.420 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
160 1 12 THR HA 1 13 LEU H 4.000 . 5.000 3.548 3.510 3.573 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
161 1 12 THR HB 1 13 LEU H 4.000 . 5.000 2.806 2.571 4.087 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
162 1 12 THR H 1 40 ILE MD 4.000 . 5.500 4.619 4.601 4.636 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
163 1 13 LEU H 1 13 LEU HG 4.000 . 5.000 3.774 3.012 4.812 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
164 1 13 LEU H 1 13 LEU QB 3.000 . 3.300 2.528 2.413 2.665 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
165 1 13 LEU H 1 13 LEU QD 4.000 . 5.500 3.632 2.339 3.967 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
166 1 13 LEU HA 1 13 LEU HG 3.000 . 3.300 2.546 2.019 3.514 0.214 37 0 "[ . 1 . 2 . 3 . 4]" 1
167 1 13 LEU HA 1 13 LEU QD 4.000 . 5.500 2.144 1.824 3.024 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
168 1 13 LEU HA 1 14 LYS H 2.500 . 2.700 2.484 2.366 2.669 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
169 1 13 LEU QD 1 14 LYS H 4.000 . 5.500 2.808 1.938 3.829 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
170 1 13 LEU QD 1 38 ASN HB3 4.000 . 5.500 2.810 1.866 3.937 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
171 1 14 LYS H 1 14 LYS QB 3.000 . 3.300 2.663 2.472 2.802 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
172 1 14 LYS H 1 14 LYS QG 4.000 . 5.000 4.005 3.472 4.263 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
173 1 14 LYS HA 1 15 GLY H 2.500 . 2.700 2.244 2.210 2.280 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
174 1 15 GLY H 1 15 GLY QA 2.500 . 2.700 2.443 2.419 2.463 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
175 1 15 GLY QA 1 16 GLU H 2.500 . 2.700 2.194 2.152 2.293 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
176 1 16 GLU H 1 16 GLU QG 4.000 . 5.000 3.094 1.984 4.243 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
177 1 16 GLU HA 1 17 THR H 2.500 . 2.700 2.420 2.203 2.607 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
178 1 16 GLU QB 1 17 THR H 4.000 . 5.000 2.796 2.234 3.635 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
179 1 17 THR H 1 17 THR HA 3.000 . 3.300 2.981 2.933 3.004 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
180 1 17 THR H 1 17 THR HB 4.000 . 5.000 2.836 2.475 3.406 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
181 1 17 THR H 1 17 THR MG 4.000 . 5.500 3.808 2.237 3.987 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
182 1 17 THR HA 1 18 THR H 2.500 . 2.700 2.324 2.212 2.476 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
183 1 17 THR HA 1 18 THR HA 4.000 . 5.000 4.525 4.491 4.603 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
184 1 17 THR MG 1 31 PHE QE 3.000 . 3.800 2.254 1.938 2.823 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
185 1 17 THR HB 1 34 TYR QE 4.000 . 5.000 4.289 4.008 4.463 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
186 1 17 THR MG 1 34 TYR QD 4.000 . 5.500 3.770 3.233 4.072 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
187 1 18 THR H 1 18 THR MG 3.000 . 3.800 2.934 2.612 3.154 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
188 1 18 THR HA 1 18 THR HB 2.500 . 2.700 2.539 2.488 2.600 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
189 1 18 THR HA 1 18 THR MG 3.000 . 3.800 2.266 2.108 2.393 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
190 1 18 THR HA 1 19 THR H 2.500 . 2.700 2.400 2.249 2.538 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
191 1 18 THR HA 1 19 THR MG 4.000 . 5.500 3.368 3.239 3.526 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
192 1 18 THR HB 1 19 THR H 3.000 . 3.300 2.710 2.360 3.205 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
193 1 18 THR HA 1 31 PHE HZ 3.000 . 3.300 2.200 1.980 3.307 0.007 6 0 "[ . 1 . 2 . 3 . 4]" 1
194 1 18 THR HA 1 31 PHE QE 4.000 . 5.000 3.483 3.209 3.771 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
195 1 19 THR H 1 19 THR HB 4.000 . 5.000 3.350 3.230 3.455 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
196 1 19 THR H 1 19 THR MG 3.000 . 3.800 2.156 1.973 2.351 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
197 1 19 THR HA 1 19 THR HB 3.000 . 3.300 2.463 2.459 2.471 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
198 1 19 THR H 1 20 GLU H 4.000 . 6.000 4.374 4.181 4.447 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
199 1 19 THR HA 1 20 GLU H 2.500 . 2.700 2.503 2.212 2.743 0.043 23 0 "[ . 1 . 2 . 3 . 4]" 1
200 1 19 THR HB 1 20 GLU H 4.000 . 5.000 3.852 3.558 4.327 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
201 1 19 THR MG 1 20 GLU H 4.000 . 5.500 3.380 2.826 4.033 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
202 1 19 THR MG 1 21 ALA MB 3.000 . 4.300 2.716 2.530 2.970 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
203 1 19 THR MG 1 27 ALA HA 3.000 . 3.800 3.080 2.815 3.177 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
204 1 19 THR H 1 31 PHE HZ 4.000 . 5.000 2.870 2.349 3.418 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
205 1 19 THR H 1 31 PHE QE 4.000 . 5.000 3.798 3.298 4.218 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
206 1 19 THR HB 1 31 PHE QE 4.000 . 5.000 3.571 2.973 3.907 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
207 1 19 THR MG 1 31 PHE H 4.000 . 5.500 4.092 3.603 4.488 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
208 1 19 THR MG 1 31 PHE HZ 3.000 . 3.800 2.220 1.942 2.818 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
209 1 19 THR MG 1 31 PHE QE 2.500 . 3.200 2.190 1.854 2.377 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
210 1 20 GLU H 1 20 GLU QB 3.000 . 3.300 2.346 2.027 2.960 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
211 1 20 GLU H 1 20 GLU QG 4.000 . 5.000 3.087 1.941 4.065 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
212 1 20 GLU HA 1 21 ALA H 2.500 . 2.700 2.245 2.200 2.363 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
213 1 20 GLU QB 1 21 ALA H 4.000 . 5.000 3.690 3.274 4.014 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
214 1 21 ALA H 1 22 VAL HA 4.000 . 5.000 4.948 4.780 5.047 0.047 21 0 "[ . 1 . 2 . 3 . 4]" 1
215 1 21 ALA HA 1 22 VAL H 2.500 . 2.700 2.324 2.237 2.699 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
216 1 21 ALA MB 1 22 VAL H 3.000 . 3.800 2.903 2.016 3.141 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
217 1 21 ALA MB 1 23 ASP H 3.000 . 3.800 2.756 2.432 2.943 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
218 1 21 ALA MB 1 26 THR HB 3.000 . 3.800 2.107 1.882 2.629 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
219 1 21 ALA MB 1 27 ALA H 4.000 . 5.500 2.783 2.501 3.138 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
220 1 21 ALA MB 1 27 ALA MB 3.000 . 4.300 2.556 2.206 2.987 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
221 1 22 VAL H 1 22 VAL HA 3.000 . 3.300 2.872 2.823 2.998 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
222 1 22 VAL H 1 22 VAL HB 3.000 . 3.300 2.859 2.431 3.512 0.212 19 0 "[ . 1 . 2 . 3 . 4]" 1
223 1 22 VAL H 1 22 VAL QG 2.500 . 3.200 1.883 1.731 2.030 0.069 12 0 "[ . 1 . 2 . 3 . 4]" 1
224 1 22 VAL HA 1 22 VAL HB 2.500 . 2.700 2.472 2.458 2.486 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
225 1 22 VAL HA 1 22 VAL QG 2.500 . 3.200 2.294 2.207 2.368 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
226 1 22 VAL H 1 23 ASP H 3.000 . 3.300 2.599 2.000 2.764 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
227 1 22 VAL HB 1 23 ASP H 4.000 . 5.000 3.930 3.669 4.125 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
228 1 22 VAL QG 1 23 ASP H 3.000 . 3.800 2.001 1.878 2.132 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
229 1 22 VAL H 1 26 THR MG 4.000 . 5.500 3.370 2.896 3.748 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
230 1 23 ASP HA 1 24 ALA H 3.000 . 3.300 2.613 2.520 2.728 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
231 1 23 ASP QB 1 24 ALA H 3.000 . 3.300 2.392 2.003 2.953 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
232 1 23 ASP QB 1 25 ALA H 4.000 . 5.000 2.805 2.333 3.214 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
233 1 23 ASP H 1 26 THR HB 3.000 . 3.300 2.903 2.544 3.156 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
234 1 24 ALA H 1 24 ALA HA 2.500 . 2.700 2.811 2.798 2.826 0.126 9 0 "[ . 1 . 2 . 3 . 4]" 1
235 1 24 ALA H 1 24 ALA MB 2.500 . 3.200 2.066 1.961 2.159 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
236 1 24 ALA H 1 25 ALA H 4.000 . 5.000 2.777 2.721 2.814 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
237 1 24 ALA HA 1 25 ALA H 4.000 . 5.000 3.505 3.494 3.546 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
238 1 24 ALA MB 1 25 ALA H 3.000 . 3.800 2.810 2.641 2.917 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
239 1 24 ALA HA 1 27 ALA H 4.000 . 5.000 3.077 2.861 3.337 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
240 1 24 ALA HA 1 27 ALA MB 2.500 . 3.200 2.111 1.930 2.289 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
241 1 24 ALA HA 1 28 GLU H 4.000 . 5.000 3.349 3.024 5.046 0.046 20 0 "[ . 1 . 2 . 3 . 4]" 1
242 1 24 ALA MB 1 46 TYR QD 4.000 . 5.500 3.874 3.631 4.096 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
243 1 24 ALA HA 1 53 PHE HZ 4.000 . 5.000 2.316 1.994 2.844 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
244 1 24 ALA MB 1 53 PHE HZ 3.000 . 3.800 2.593 2.221 3.079 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
245 1 25 ALA H 1 25 ALA HA 3.000 . 3.300 2.846 2.825 2.865 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
246 1 25 ALA H 1 25 ALA MB 2.500 . 3.200 2.043 1.938 2.158 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
247 1 25 ALA MB 1 26 THR H 3.000 . 3.800 2.660 2.201 2.896 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
248 1 26 THR H 1 26 THR HB 3.000 . 3.300 2.544 2.390 2.658 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
249 1 26 THR HA 1 26 THR MG 2.500 . 3.200 2.284 2.117 2.415 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
250 1 26 THR H 1 27 ALA H 3.000 . 3.300 2.110 1.987 2.432 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
251 1 26 THR H 1 27 ALA MB 4.000 . 5.500 3.673 3.559 3.959 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
252 1 26 THR HA 1 27 ALA H 4.000 . 5.000 3.515 3.460 3.538 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
253 1 26 THR HB 1 27 ALA H 3.000 . 3.300 2.836 2.656 3.158 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
254 1 26 THR MG 1 27 ALA H 4.000 . 5.500 3.845 3.596 3.980 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
255 1 26 THR HA 1 29 LYS QD 3.000 . 3.300 2.801 2.174 2.960 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
256 1 26 THR MG 1 30 VAL H 4.000 . 5.500 4.089 3.691 4.585 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
257 1 27 ALA H 1 27 ALA HA 3.000 . 3.300 2.854 2.835 2.900 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
258 1 27 ALA H 1 27 ALA MB 2.500 . 3.200 2.025 1.956 2.105 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
259 1 27 ALA H 1 28 GLU H 4.000 . 5.000 3.004 2.682 4.614 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
260 1 27 ALA HA 1 28 GLU H 4.000 . 5.000 3.539 2.613 3.592 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
261 1 27 ALA HA 1 30 VAL MG2 4.000 . 5.500 3.695 3.419 4.021 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
262 1 27 ALA HA 1 31 PHE H 4.000 . 5.000 3.966 3.768 4.275 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
263 1 27 ALA MB 1 31 PHE QD 4.000 . 5.500 2.799 2.250 3.708 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
264 1 27 ALA MB 1 53 PHE HZ 4.000 . 5.500 2.145 1.951 2.583 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
265 1 27 ALA MB 1 53 PHE QD 4.000 . 5.500 3.556 3.355 3.825 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
266 1 27 ALA MB 1 53 PHE QE 3.000 . 3.800 1.951 1.848 2.073 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
267 1 28 GLU H 1 28 GLU QB 3.000 . 3.300 2.133 1.973 2.956 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
268 1 28 GLU H 1 28 GLU QG 4.000 . 5.000 3.831 3.636 4.026 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
269 1 28 GLU HA 1 28 GLU QG 3.000 . 3.300 2.251 2.051 2.398 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
270 1 28 GLU H 1 29 LYS H 4.000 . 5.000 2.812 2.668 3.781 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
271 1 28 GLU HA 1 29 LYS H 4.000 . 5.000 3.569 3.540 3.611 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
272 1 28 GLU QB 1 29 LYS H 4.000 . 5.000 2.515 2.077 2.709 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
273 1 28 GLU H 1 30 VAL H 4.000 . 5.000 4.311 3.802 4.534 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
274 1 28 GLU HA 1 31 PHE H 4.000 . 5.000 3.455 3.309 3.651 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
275 1 28 GLU HA 1 31 PHE HB3 4.000 . 5.000 3.697 3.351 3.978 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
276 1 28 GLU HA 1 31 PHE QD 4.000 . 5.000 3.448 2.681 3.725 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
277 1 28 GLU HA 1 32 LYS HA 4.000 . 5.000 5.081 5.053 5.127 0.127 20 0 "[ . 1 . 2 . 3 . 4]" 1
278 1 28 GLU QG 1 44 TRP HZ3 4.000 . 5.000 3.521 2.965 4.295 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
279 1 28 GLU H 1 53 PHE HZ 4.000 . 5.000 2.897 2.712 3.585 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
280 1 28 GLU H 1 53 PHE QE 4.000 . 5.000 3.557 3.366 3.830 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
281 1 28 GLU HA 1 53 PHE HZ 4.000 . 5.000 4.276 4.000 4.541 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
282 1 28 GLU HA 1 53 PHE QE 4.000 . 5.000 3.771 3.349 4.045 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
283 1 28 GLU QB 1 53 PHE HZ 3.000 . 3.300 2.936 2.782 2.968 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
284 1 28 GLU QB 1 53 PHE QE 3.000 . 3.300 2.453 2.210 2.629 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
285 1 28 GLU QG 1 53 PHE QD 4.000 . 5.000 3.176 2.572 3.939 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
286 1 28 GLU QG 1 53 PHE QE 4.000 . 5.000 2.850 2.180 3.626 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
287 1 29 LYS H 1 29 LYS HA 3.000 . 3.300 2.839 2.819 2.859 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
288 1 29 LYS H 1 29 LYS QB 2.500 . 2.700 2.216 2.085 2.393 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
289 1 29 LYS H 1 29 LYS QG 4.000 . 5.000 3.077 1.994 3.935 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
290 1 29 LYS H 1 29 LYS QD 4.000 . 5.000 4.031 2.104 4.460 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
291 1 29 LYS HA 1 29 LYS QB 2.500 . 2.700 2.424 2.389 2.491 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
292 1 29 LYS H 1 30 VAL H 3.000 . 3.300 2.781 2.677 2.881 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
293 1 29 LYS HA 1 30 VAL H 4.000 . 5.000 3.557 3.529 3.580 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
294 1 29 LYS QB 1 30 VAL H 3.000 . 3.300 2.516 2.356 2.714 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
295 1 29 LYS HA 1 31 PHE H 4.000 . 5.000 4.964 4.757 5.024 0.024 14 0 "[ . 1 . 2 . 3 . 4]" 1
296 1 29 LYS HA 1 32 LYS H 4.000 . 5.000 3.995 3.902 4.111 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
297 1 29 LYS HA 1 32 LYS QB 3.000 . 3.300 2.935 2.709 2.980 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
298 1 29 LYS HA 1 33 GLN H 4.000 . 5.000 4.339 4.075 4.613 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
299 1 30 VAL H 1 30 VAL HB 2.500 . 2.700 2.334 2.293 2.379 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
300 1 30 VAL H 1 30 VAL MG1 4.000 . 5.500 3.714 3.705 3.729 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
301 1 30 VAL H 1 30 VAL MG2 2.500 . 3.200 2.222 2.130 2.392 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
302 1 30 VAL HA 1 30 VAL MG1 3.000 . 3.800 2.362 2.297 2.438 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
303 1 30 VAL HA 1 30 VAL MG2 2.500 . 3.200 2.354 2.209 2.421 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
304 1 30 VAL H 1 31 PHE H 3.000 . 3.300 2.496 2.382 2.578 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
305 1 30 VAL HA 1 31 PHE H 4.000 . 5.000 3.581 3.555 3.588 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
306 1 30 VAL HB 1 31 PHE H 3.000 . 3.300 2.392 2.325 2.542 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
307 1 30 VAL MG1 1 31 PHE H 4.000 . 5.500 3.269 3.165 3.467 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
308 1 30 VAL MG1 1 31 PHE QD 4.000 . 5.500 4.070 2.973 4.123 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
309 1 30 VAL MG2 1 31 PHE H 4.000 . 5.500 3.774 3.725 3.855 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
310 1 30 VAL HA 1 33 GLN H 4.000 . 5.000 3.642 3.538 3.817 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
311 1 30 VAL HA 1 33 GLN QB 3.000 . 3.300 2.957 2.868 2.982 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
312 1 31 PHE H 1 31 PHE HB3 4.000 . 5.000 3.479 3.449 3.538 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
313 1 31 PHE H 1 31 PHE HB2 2.500 . 2.700 2.141 2.086 2.334 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
314 1 31 PHE H 1 31 PHE QD 4.000 . 5.000 3.173 2.886 3.268 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
315 1 31 PHE HA 1 31 PHE QD 3.000 . 3.300 2.016 1.968 2.123 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
316 1 31 PHE HB2 1 31 PHE QD 3.000 . 3.300 2.321 2.304 2.715 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
317 1 31 PHE H 1 32 LYS H 4.000 . 5.000 2.666 2.592 2.716 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
318 1 31 PHE HB3 1 32 LYS H 4.000 . 5.000 3.462 3.357 3.585 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
319 1 31 PHE HB2 1 32 LYS H 4.000 . 5.000 2.818 2.579 2.947 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
320 1 31 PHE HB3 1 35 ALA MB 4.000 . 5.500 4.408 4.255 4.584 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
321 1 31 PHE HB3 1 44 TRP HZ3 4.000 . 5.000 2.630 2.200 2.847 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
322 1 31 PHE HB3 1 44 TRP HH2 3.000 . 3.300 2.357 1.985 2.806 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
323 1 31 PHE HB2 1 44 TRP HZ3 4.000 . 5.000 3.341 2.937 3.648 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
324 1 31 PHE HB2 1 44 TRP HH2 4.000 . 5.000 3.781 3.142 4.277 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
325 1 31 PHE QD 1 53 PHE QD 4.000 . 5.000 3.241 2.314 3.520 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
326 1 32 LYS H 1 32 LYS HA 3.000 . 3.300 2.871 2.859 2.889 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
327 1 32 LYS H 1 32 LYS QB 3.000 . 3.300 2.185 2.121 2.203 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
328 1 32 LYS H 1 32 LYS QG 4.000 . 5.000 3.565 2.433 3.989 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
329 1 32 LYS H 1 33 GLN H 4.000 . 5.000 2.684 2.610 2.779 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
330 1 32 LYS QB 1 33 GLN H 4.000 . 5.000 2.407 2.244 2.596 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
331 1 32 LYS H 1 34 TYR H 4.000 . 5.000 3.908 3.847 4.002 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
332 1 32 LYS HA 1 35 ALA H 4.000 . 5.000 3.497 3.384 3.583 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
333 1 32 LYS HA 1 35 ALA MB 2.500 . 3.200 2.699 2.675 2.731 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
334 1 32 LYS HA 1 44 TRP HZ2 3.000 . 3.300 3.265 3.123 3.348 0.048 36 0 "[ . 1 . 2 . 3 . 4]" 1
335 1 32 LYS HA 1 44 TRP HH2 3.000 . 3.300 3.141 2.714 3.323 0.023 6 0 "[ . 1 . 2 . 3 . 4]" 1
336 1 33 GLN H 1 33 GLN HA 3.000 . 3.300 2.860 2.849 2.872 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
337 1 33 GLN H 1 33 GLN QB 2.500 . 2.700 2.159 1.990 2.186 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
338 1 33 GLN H 1 33 GLN QG 4.000 . 5.000 3.956 2.865 4.016 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
339 1 33 GLN HA 1 33 GLN QB 2.500 . 2.700 2.411 2.376 2.511 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
340 1 33 GLN H 1 34 TYR H 4.000 . 5.000 2.590 2.553 2.639 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
341 1 33 GLN HA 1 34 TYR H 3.000 . 3.300 3.481 3.472 3.488 0.188 15 0 "[ . 1 . 2 . 3 . 4]" 1
342 1 33 GLN QB 1 34 TYR H 3.000 . 3.300 2.640 2.574 2.747 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
343 1 33 GLN QG 1 34 TYR H 4.000 . 5.000 3.896 3.697 4.473 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
344 1 33 GLN HA 1 36 ASN QB 3.000 . 3.300 2.405 2.171 2.683 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
345 1 33 GLN HE21 1 36 ASN QB 4.000 . 5.000 3.604 2.592 4.472 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
346 1 33 GLN HE22 1 36 ASN QB 4.000 . 5.000 4.101 3.370 4.438 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
347 1 33 GLN QG 1 37 ASP H 4.000 . 6.000 4.519 3.970 5.359 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
348 1 34 TYR H 1 34 TYR HB3 3.000 . 3.300 2.093 2.027 2.170 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
349 1 34 TYR H 1 34 TYR HB2 3.000 . 3.300 2.821 2.720 2.928 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
350 1 34 TYR H 1 34 TYR QD 4.000 . 5.000 3.911 3.787 4.009 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
351 1 34 TYR HA 1 34 TYR HB2 3.000 . 3.300 2.349 2.323 2.380 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
352 1 34 TYR HA 1 34 TYR QD 3.000 . 3.300 2.961 2.928 2.993 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
353 1 34 TYR HB3 1 34 TYR QD 2.500 . 2.700 2.372 2.359 2.385 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
354 1 34 TYR HB3 1 34 TYR QE 4.000 . 5.000 4.434 4.429 4.441 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
355 1 34 TYR HB2 1 34 TYR QD 2.500 . 2.700 2.448 2.433 2.463 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
356 1 34 TYR HB2 1 34 TYR QE 4.000 . 5.000 4.452 4.449 4.455 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
357 1 34 TYR H 1 35 ALA H 4.000 . 5.000 2.699 2.582 2.788 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
358 1 34 TYR H 1 35 ALA MB 4.000 . 5.500 4.147 4.071 4.189 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
359 1 34 TYR HB3 1 35 ALA H 3.000 . 3.300 2.489 2.393 2.618 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
360 1 34 TYR HB2 1 35 ALA H 4.000 . 5.000 3.866 3.804 3.977 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
361 1 34 TYR QD 1 35 ALA H 4.000 . 5.000 2.435 2.174 2.807 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
362 1 34 TYR QD 1 35 ALA HA 4.000 . 5.000 3.406 3.198 3.580 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
363 1 34 TYR QD 1 35 ALA MB 4.000 . 5.500 2.859 2.758 2.992 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
364 1 34 TYR HA 1 38 ASN HD21 4.000 . 5.000 3.963 3.262 4.753 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
365 1 34 TYR QD 1 40 ILE MD 4.000 . 5.500 3.801 3.672 3.944 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
366 1 34 TYR QE 1 40 ILE MD 3.000 . 3.800 2.844 2.829 2.867 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
367 1 35 ALA H 1 35 ALA HA 3.000 . 3.300 2.874 2.843 2.925 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
368 1 35 ALA H 1 35 ALA MB 2.500 . 3.200 1.991 1.958 2.028 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
369 1 35 ALA H 1 36 ASN H 4.000 . 5.000 2.684 2.489 2.812 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
370 1 35 ALA MB 1 36 ASN H 2.500 . 3.200 2.565 2.436 2.680 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
371 1 35 ALA HA 1 38 ASN HB2 4.000 . 5.000 2.798 2.326 3.475 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
372 1 35 ALA HA 1 40 ILE HB 4.000 . 5.000 2.637 2.346 2.796 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
373 1 35 ALA MB 1 40 ILE H 4.000 . 5.500 3.031 2.927 3.234 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
374 1 35 ALA MB 1 40 ILE MG 3.000 . 4.300 2.692 2.620 2.758 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
375 1 35 ALA MB 1 44 TRP HZ2 2.500 . 3.200 1.915 1.892 1.938 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
376 1 35 ALA MB 1 44 TRP HH2 3.000 . 3.800 2.802 2.470 3.126 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
377 1 35 ALA MB 1 55 VAL HB 4.000 . 5.500 4.388 4.284 4.454 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
378 1 35 ALA MB 1 55 VAL MG1 3.000 . 4.300 2.998 2.932 3.007 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
379 1 36 ASN H 1 36 ASN HA 2.500 . 2.700 2.821 2.810 2.834 0.134 11 0 "[ . 1 . 2 . 3 . 4]" 1
380 1 36 ASN H 1 36 ASN QB 2.500 . 2.700 2.116 2.018 2.171 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
381 1 36 ASN H 1 37 ASP H 4.000 . 5.000 2.787 2.719 2.953 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
382 1 36 ASN HA 1 37 ASP H 4.000 . 5.000 3.551 3.510 3.587 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
383 1 36 ASN QB 1 37 ASP H 3.000 . 3.300 2.551 2.229 2.760 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
384 1 36 ASN H 1 38 ASN H 4.000 . 5.000 4.406 4.066 4.805 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
385 1 36 ASN HA 1 38 ASN H 4.000 . 5.000 4.709 4.312 4.999 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
386 1 36 ASN HA 1 39 GLY H 4.000 . 5.000 3.766 3.314 4.063 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
387 1 37 ASP H 1 37 ASP HA 3.000 . 3.300 2.885 2.851 2.934 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
388 1 37 ASP H 1 37 ASP QB 3.000 . 3.300 2.108 2.003 2.262 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
389 1 37 ASP H 1 38 ASN H 3.000 . 3.300 2.695 2.448 2.927 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
390 1 37 ASP HA 1 38 ASN H 4.000 . 5.000 3.574 3.528 3.590 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
391 1 37 ASP QB 1 38 ASN H 4.000 . 5.000 2.400 2.039 2.685 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
392 1 37 ASP QB 1 38 ASN HD21 4.000 . 5.000 3.383 2.169 4.451 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
393 1 37 ASP H 1 39 GLY H 4.000 . 6.000 4.070 3.822 4.300 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
394 1 37 ASP HA 1 39 GLY H 4.000 . 5.000 4.755 4.246 5.001 0.001 22 0 "[ . 1 . 2 . 3 . 4]" 1
395 1 38 ASN H 1 38 ASN HB3 4.000 . 5.000 3.500 3.393 3.566 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
396 1 38 ASN H 1 38 ASN HB2 3.000 . 3.300 2.205 2.030 2.377 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
397 1 38 ASN H 1 38 ASN HD21 4.000 . 5.000 2.668 2.011 3.330 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
398 1 38 ASN HA 1 38 ASN HD21 4.000 . 5.000 3.925 2.772 4.442 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
399 1 38 ASN HB3 1 38 ASN HD22 4.000 . 5.000 4.021 3.891 4.123 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
400 1 38 ASN HB2 1 38 ASN HD21 3.000 . 3.300 2.330 2.247 2.669 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
401 1 38 ASN HB2 1 38 ASN HD22 4.000 . 5.000 3.545 3.513 3.680 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
402 1 38 ASN H 1 39 GLY H 3.000 . 3.300 2.584 2.276 2.796 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
403 1 38 ASN HA 1 39 GLY H 4.000 . 5.000 3.564 3.517 3.586 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
404 1 38 ASN HB3 1 40 ILE MD 4.000 . 5.500 3.329 2.781 4.024 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
405 1 39 GLY H 1 39 GLY QA 2.500 . 2.700 2.383 2.304 2.427 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
406 1 39 GLY H 1 40 ILE H 3.000 . 3.300 2.235 1.982 2.621 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
407 1 39 GLY QA 1 40 ILE H 3.000 . 3.300 2.644 2.431 2.782 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
408 1 40 ILE H 1 40 ILE HB 3.000 . 3.300 2.441 2.308 2.581 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
409 1 40 ILE H 1 40 ILE MG 4.000 . 5.500 3.790 3.725 3.850 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
410 1 40 ILE H 1 40 ILE MD 4.000 . 5.500 3.791 3.623 3.962 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
411 1 40 ILE H 1 40 ILE QG 4.000 . 5.000 2.593 2.359 2.801 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
412 1 40 ILE HA 1 40 ILE MG 3.000 . 3.800 2.348 2.320 2.376 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
413 1 40 ILE HA 1 40 ILE MD 4.000 . 5.500 3.806 3.796 3.817 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
414 1 40 ILE HA 1 41 ASP H 2.500 . 2.700 2.561 2.401 2.660 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
415 1 40 ILE MG 1 41 ASP H 4.000 . 5.500 3.906 3.701 3.992 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
416 1 40 ILE MG 1 42 GLY H 4.000 . 5.500 2.792 2.560 2.892 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
417 1 40 ILE MG 1 55 VAL HB 3.000 . 3.800 3.307 3.270 3.334 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
418 1 40 ILE MG 1 57 GLU QG 4.000 . 5.500 3.349 2.128 4.069 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
419 1 41 ASP H 1 41 ASP HA 3.000 . 3.300 2.959 2.934 2.984 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
420 1 41 ASP H 1 41 ASP QB 3.000 . 3.300 2.244 1.997 2.673 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
421 1 41 ASP HA 1 42 GLY H 3.000 . 3.300 2.709 2.597 2.896 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
422 1 41 ASP QB 1 42 GLY H 4.000 . 5.000 3.926 3.805 4.060 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
423 1 41 ASP H 1 57 GLU QG 4.000 . 5.000 2.769 2.141 4.383 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
424 1 42 GLY H 1 42 GLY HA2 3.000 . 3.300 2.918 2.854 2.964 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
425 1 42 GLY HA3 1 43 GLU H 3.000 . 3.300 2.198 2.181 2.217 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
426 1 42 GLY HA2 1 43 GLU H 3.000 . 3.300 3.073 3.033 3.103 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
427 1 42 GLY H 1 44 TRP HE1 4.000 . 5.000 3.180 2.944 3.588 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
428 1 42 GLY H 1 55 VAL HB 4.000 . 5.000 4.689 4.563 4.907 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
429 1 42 GLY HA3 1 55 VAL HB 4.000 . 5.000 5.075 5.054 5.089 0.089 32 0 "[ . 1 . 2 . 3 . 4]" 1
430 1 42 GLY HA3 1 56 THR H 4.000 . 5.000 2.088 2.038 2.163 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
431 1 42 GLY H 1 57 GLU QG 4.000 . 5.000 3.572 2.361 4.226 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
432 1 43 GLU H 1 43 GLU HA 2.500 . 2.700 2.962 2.958 2.965 0.265 37 0 "[ . 1 . 2 . 3 . 4]" 1
433 1 43 GLU H 1 43 GLU QB 3.000 . 3.300 2.568 2.299 2.910 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
434 1 43 GLU H 1 43 GLU QG 3.000 . 3.300 2.447 1.909 2.942 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
435 1 43 GLU HA 1 44 TRP H 2.500 . 2.700 2.213 2.184 2.238 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
436 1 43 GLU HA 1 44 TRP HD1 3.000 . 3.300 3.362 3.328 3.398 0.098 10 0 "[ . 1 . 2 . 3 . 4]" 1
437 1 43 GLU QB 1 44 TRP H 4.000 . 5.000 3.653 3.576 3.720 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
438 1 43 GLU H 1 55 VAL HB 4.000 . 5.000 5.082 5.061 5.122 0.122 21 0 "[ . 1 . 2 . 3 . 4]" 1
439 1 43 GLU H 1 56 THR H 4.000 . 5.000 2.025 1.990 2.106 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
440 1 43 GLU H 1 56 THR HB 4.000 . 5.000 2.994 2.786 3.219 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
441 1 44 TRP H 1 44 TRP HA 2.500 . 2.700 2.871 2.839 2.896 0.196 21 0 "[ . 1 . 2 . 3 . 4]" 1
442 1 44 TRP H 1 44 TRP HD1 3.000 . 3.300 2.086 1.972 2.258 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
443 1 44 TRP H 1 44 TRP QB 3.000 . 3.300 2.171 2.125 2.210 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
444 1 44 TRP HA 1 44 TRP HD1 4.000 . 5.000 3.516 3.391 3.641 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
445 1 44 TRP HA 1 44 TRP HE3 4.000 . 5.000 3.724 3.570 3.848 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
446 1 44 TRP QB 1 44 TRP HE3 3.000 . 3.300 2.470 2.452 2.491 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
447 1 44 TRP HA 1 45 THR H 2.500 . 2.700 2.180 2.169 2.193 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
448 1 44 TRP QB 1 45 THR H 3.000 . 3.300 2.979 2.960 2.997 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
449 1 44 TRP HE3 1 53 PHE QB 4.000 . 5.000 2.582 2.336 2.792 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
450 1 44 TRP HE3 1 53 PHE QD 4.000 . 5.000 2.343 2.058 2.802 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
451 1 44 TRP HZ3 1 53 PHE QB 4.000 . 5.000 2.261 2.029 2.587 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
452 1 44 TRP HZ3 1 53 PHE QD 4.000 . 5.000 3.174 2.673 3.631 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
453 1 44 TRP QB 1 53 PHE QD 4.000 . 5.000 3.826 3.676 3.980 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
454 1 44 TRP HA 1 55 VAL HA 3.000 . 3.300 2.542 2.459 2.658 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
455 1 44 TRP HA 1 55 VAL HB 4.000 . 5.000 3.233 3.121 3.393 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
456 1 44 TRP HD1 1 55 VAL HB 4.000 . 5.000 4.036 3.826 4.359 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
457 1 44 TRP HE1 1 55 VAL HB 4.000 . 5.000 3.419 3.130 3.712 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
458 1 44 TRP HE1 1 55 VAL MG1 4.000 . 5.500 3.844 3.613 4.096 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
459 1 44 TRP HE3 1 55 VAL HB 4.000 . 5.000 4.104 3.830 4.419 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
460 1 44 TRP HZ2 1 55 VAL HB 4.000 . 5.000 3.655 3.503 3.742 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
461 1 44 TRP HZ2 1 55 VAL MG1 3.000 . 3.800 3.198 3.187 3.218 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
462 1 44 TRP HZ3 1 55 VAL HB 4.000 . 5.000 4.682 4.368 5.015 0.015 16 0 "[ . 1 . 2 . 3 . 4]" 1
463 1 44 TRP HH2 1 55 VAL HB 4.000 . 5.000 4.503 4.277 4.718 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
464 1 44 TRP HH2 1 55 VAL MG1 4.000 . 5.500 4.018 3.731 4.298 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
465 1 44 TRP HA 1 56 THR H 4.000 . 5.000 4.712 4.630 4.797 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
466 1 45 THR H 1 45 THR HA 3.000 . 3.300 2.950 2.936 2.963 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
467 1 45 THR H 1 45 THR HB 4.000 . 5.000 3.783 3.691 3.835 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
468 1 45 THR H 1 45 THR MG 4.000 . 5.500 3.371 3.281 3.473 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
469 1 45 THR HA 1 45 THR HB 2.500 . 2.700 2.615 2.573 2.676 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
470 1 45 THR HA 1 46 TYR H 2.500 . 2.700 2.211 2.201 2.220 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
471 1 45 THR HB 1 46 TYR H 3.000 . 3.300 3.376 3.356 3.390 0.090 20 0 "[ . 1 . 2 . 3 . 4]" 1
472 1 45 THR MG 1 46 TYR H 4.000 . 5.500 3.779 3.674 3.884 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
473 1 45 THR H 1 54 THR H 4.000 . 5.000 2.364 2.257 2.577 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
474 1 45 THR H 1 54 THR HB 4.000 . 5.000 3.304 3.033 3.429 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
475 1 45 THR H 1 55 VAL HA 4.000 . 5.000 4.025 3.919 4.129 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
476 1 46 TYR H 1 46 TYR QB 2.500 . 2.700 2.160 2.117 2.196 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
477 1 46 TYR HA 1 47 ASP H 2.500 . 2.700 2.233 2.196 2.372 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
478 1 46 TYR QB 1 47 ASP H 4.000 . 5.000 3.809 3.500 4.023 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
479 1 46 TYR QD 1 48 ASP QB 4.000 . 5.000 3.703 3.058 3.974 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
480 1 46 TYR QD 1 51 LYS QG 4.000 . 5.000 4.029 3.994 4.063 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
481 1 46 TYR HA 1 53 PHE HA 4.000 . 5.000 2.535 2.280 2.702 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
482 1 46 TYR HA 1 53 PHE QD 4.000 . 6.000 4.187 3.924 4.514 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
483 1 46 TYR QB 1 53 PHE QD 4.000 . 5.000 3.462 3.001 3.977 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
484 1 46 TYR QD 1 53 PHE QD 4.000 . 5.000 3.657 3.405 3.836 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
485 1 46 TYR QD 1 53 PHE QE 4.000 . 5.000 3.368 3.162 3.627 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
486 1 46 TYR QE 1 53 PHE QD 4.000 . 6.000 4.777 4.691 4.797 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
487 1 46 TYR HA 1 54 THR H 3.000 . 3.300 3.451 3.433 3.475 0.175 40 0 "[ . 1 . 2 . 3 . 4]" 1
488 1 47 ASP H 1 48 ASP H 4.000 . 5.000 4.315 4.116 4.462 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
489 1 47 ASP HA 1 48 ASP H 2.500 . 2.700 2.219 2.197 2.283 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
490 1 47 ASP QB 1 48 ASP H 4.000 . 5.000 3.688 3.403 3.950 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
491 1 47 ASP HA 1 49 ALA H 4.000 . 5.000 3.564 3.405 3.713 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
492 1 47 ASP H 1 52 THR H 4.000 . 5.000 2.458 2.225 2.887 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
493 1 47 ASP QB 1 52 THR H 4.000 . 5.000 2.971 2.445 4.223 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
494 1 47 ASP QB 1 52 THR HB 4.000 . 5.000 2.685 2.133 4.101 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
495 1 47 ASP H 1 53 PHE HA 4.000 . 5.000 4.000 3.731 4.196 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
496 1 48 ASP H 1 48 ASP QB 2.500 . 2.700 2.246 2.017 2.448 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
497 1 48 ASP H 1 49 ALA H 3.000 . 3.300 2.614 2.459 2.701 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
498 1 48 ASP QB 1 49 ALA H 4.000 . 5.000 3.189 2.841 3.699 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
499 1 48 ASP HA 1 51 LYS H 3.000 . 3.300 3.059 2.906 3.248 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
500 1 49 ALA H 1 49 ALA HA 2.500 . 2.700 2.802 2.794 2.814 0.114 40 0 "[ . 1 . 2 . 3 . 4]" 1
501 1 49 ALA H 1 49 ALA MB 2.500 . 3.200 2.081 1.970 2.160 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
502 1 49 ALA H 1 50 THR H 3.000 . 3.300 2.846 2.814 2.873 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
503 1 49 ALA H 1 50 THR MG 4.000 . 5.500 4.594 4.553 4.614 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
504 1 49 ALA HA 1 50 THR H 4.000 . 5.000 3.562 3.546 3.577 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
505 1 49 ALA MB 1 50 THR H 3.000 . 3.800 2.519 2.388 2.718 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
506 1 49 ALA H 1 51 LYS H 4.000 . 5.000 3.874 3.821 3.927 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
507 1 49 ALA MB 1 51 LYS H 4.000 . 5.500 4.197 4.141 4.301 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
508 1 50 THR H 1 50 THR HA 3.000 . 3.300 2.979 2.974 2.989 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
509 1 50 THR H 1 50 THR MG 3.000 . 3.800 2.932 2.849 2.981 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
510 1 50 THR HA 1 50 THR MG 2.500 . 3.200 2.307 2.253 2.347 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
511 1 50 THR H 1 51 LYS H 2.500 . 2.700 2.032 1.984 2.153 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
512 1 50 THR HA 1 51 LYS H 3.000 . 3.300 3.149 3.040 3.225 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
513 1 50 THR MG 1 51 LYS H 4.000 . 5.500 4.255 4.232 4.278 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
514 1 51 LYS H 1 51 LYS HA 2.500 . 2.700 2.362 2.358 2.365 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
515 1 51 LYS H 1 51 LYS QG 4.000 . 5.000 3.689 3.596 3.760 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
516 1 51 LYS H 1 51 LYS QD 3.000 . 3.300 2.861 2.570 2.962 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
517 1 51 LYS H 1 52 THR H 4.000 . 5.000 3.560 3.418 3.632 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
518 1 51 LYS HA 1 52 THR H 3.000 . 3.300 2.337 2.295 2.421 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
519 1 52 THR H 1 52 THR HB 3.000 . 3.300 2.860 2.787 2.920 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
520 1 52 THR H 1 52 THR MG 4.000 . 5.500 3.956 3.924 3.982 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
521 1 52 THR HA 1 52 THR MG 3.000 . 3.800 2.371 2.159 2.445 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
522 1 52 THR HA 1 53 PHE H 2.500 . 2.700 2.255 2.223 2.293 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
523 1 52 THR HA 1 53 PHE QD 4.000 . 5.000 3.692 3.545 3.897 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
524 1 52 THR MG 1 53 PHE H 4.000 . 5.500 3.259 3.133 3.406 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
525 1 53 PHE H 1 53 PHE QD 4.000 . 5.000 2.046 1.974 2.220 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
526 1 53 PHE HA 1 53 PHE QD 4.000 . 5.000 2.870 2.715 2.970 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
527 1 53 PHE QB 1 53 PHE QD 2.500 . 2.700 2.146 2.138 2.152 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
528 1 53 PHE HA 1 54 THR H 2.500 . 2.700 2.247 2.222 2.287 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
529 1 53 PHE QB 1 54 THR H 4.000 . 5.000 3.321 3.126 3.586 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
530 1 54 THR H 1 54 THR HB 3.000 . 3.300 2.541 2.408 2.667 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
531 1 54 THR HA 1 54 THR HB 3.000 . 3.300 3.030 3.027 3.033 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
532 1 54 THR HA 1 54 THR MG 3.000 . 3.800 2.410 2.373 2.445 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
533 1 54 THR HA 1 55 VAL H 2.500 . 2.700 2.295 2.247 2.346 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
534 1 54 THR HB 1 55 VAL H 4.000 . 5.000 4.466 4.425 4.499 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
535 1 54 THR MG 1 55 VAL H 4.000 . 5.500 3.261 3.063 3.448 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
536 1 55 VAL H 1 55 VAL HA 2.500 . 2.700 2.957 2.946 2.965 0.265 34 0 "[ . 1 . 2 . 3 . 4]" 1
537 1 55 VAL H 1 55 VAL HB 4.000 . 5.000 2.817 2.736 2.915 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
538 1 55 VAL H 1 55 VAL MG1 2.500 . 3.200 1.950 1.928 1.973 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
539 1 55 VAL HA 1 55 VAL HB 2.500 . 2.700 2.514 2.510 2.522 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
540 1 55 VAL HA 1 56 THR H 2.500 . 2.700 2.465 2.424 2.488 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
541 1 55 VAL HB 1 56 THR H 4.000 . 5.000 3.908 3.895 3.923 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
542 1 55 VAL MG1 1 56 THR H 3.000 . 3.800 3.249 3.233 3.271 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
543 1 56 THR H 1 56 THR HB 2.500 . 2.700 2.823 2.802 2.846 0.146 16 0 "[ . 1 . 2 . 3 . 4]" 1
544 1 56 THR H 1 56 THR MG 4.000 . 5.500 3.934 3.924 3.940 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
545 1 56 THR HA 1 56 THR MG 3.000 . 3.800 2.381 2.298 2.475 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
546 1 56 THR H 1 57 GLU H 4.000 . 5.000 3.871 3.797 3.994 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
547 1 56 THR HA 1 57 GLU H 2.500 . 2.700 2.240 2.227 2.258 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
548 1 56 THR MG 1 57 GLU H 4.000 . 5.500 3.111 2.861 3.259 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
549 1 57 GLU H 1 57 GLU HA 3.000 . 3.300 2.948 2.854 3.004 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
550 1 57 GLU H 1 57 GLU QB 3.000 . 3.300 2.212 1.980 2.919 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
551 1 57 GLU H 1 57 GLU QG 4.000 . 5.000 3.513 2.074 4.154 . 0 0 "[ . 1 . 2 . 3 . 4]" 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 28
_Distance_constraint_stats_list.Viol_count 268
_Distance_constraint_stats_list.Viol_total 305.832
_Distance_constraint_stats_list.Viol_max 0.137
_Distance_constraint_stats_list.Viol_rms 0.0175
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0068
_Distance_constraint_stats_list.Viol_average_violations_only 0.0285
_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 THR 0.026 0.026 33 0 "[ . 1 . 2 . 3 . 4]"
1 5 LYS 0.709 0.041 29 0 "[ . 1 . 2 . 3 . 4]"
1 6 LEU 0.007 0.007 29 0 "[ . 1 . 2 . 3 . 4]"
1 7 ILE 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 9 ASN 3.348 0.137 38 0 "[ . 1 . 2 . 3 . 4]"
1 17 THR 0.007 0.007 29 0 "[ . 1 . 2 . 3 . 4]"
1 21 ALA 0.026 0.026 33 0 "[ . 1 . 2 . 3 . 4]"
1 28 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 29 LYS 0.605 0.035 18 0 "[ . 1 . 2 . 3 . 4]"
1 32 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 33 GLN 0.605 0.035 18 0 "[ . 1 . 2 . 3 . 4]"
1 43 GLU 1.731 0.046 21 0 "[ . 1 . 2 . 3 . 4]"
1 45 THR 0.034 0.012 38 0 "[ . 1 . 2 . 3 . 4]"
1 47 ASP 1.185 0.043 27 0 "[ . 1 . 2 . 3 . 4]"
1 51 LYS 0.709 0.041 29 0 "[ . 1 . 2 . 3 . 4]"
1 52 THR 1.185 0.043 27 0 "[ . 1 . 2 . 3 . 4]"
1 53 PHE 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 54 THR 0.034 0.012 38 0 "[ . 1 . 2 . 3 . 4]"
1 55 VAL 3.348 0.137 38 0 "[ . 1 . 2 . 3 . 4]"
1 56 THR 1.731 0.046 21 0 "[ . 1 . 2 . 3 . 4]"
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 ASP O 1 52 THR H 2.300 . 2.800 2.802 2.720 2.834 0.034 39 0 "[ . 1 . 2 . 3 . 4]" 2
2 1 47 ASP O 1 52 THR N 3.300 2.400 3.500 3.516 3.452 3.543 0.043 27 0 "[ . 1 . 2 . 3 . 4]" 2
3 1 45 THR O 1 54 THR H 2.300 . 2.800 1.824 1.759 1.898 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
4 1 45 THR O 1 54 THR N 3.300 2.400 3.500 2.715 2.624 2.783 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
5 1 5 LYS O 1 53 PHE H 2.300 . 2.800 2.198 1.879 2.460 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
6 1 5 LYS O 1 53 PHE N 3.300 2.400 3.500 2.630 2.578 2.841 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
7 1 45 THR H 1 54 THR O 2.300 . 2.800 2.625 2.321 2.812 0.012 38 0 "[ . 1 . 2 . 3 . 4]" 2
8 1 45 THR N 1 54 THR O 3.300 2.400 3.500 3.202 2.926 3.377 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
9 1 7 ILE H 1 53 PHE O 2.300 . 2.800 1.862 1.739 2.238 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
10 1 7 ILE N 1 53 PHE O 3.300 2.400 3.500 2.791 2.669 3.077 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
11 1 28 GLU O 1 32 LYS H 2.300 . 2.800 1.681 1.633 1.724 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
12 1 28 GLU O 1 32 LYS N 3.300 2.400 3.500 2.580 2.555 2.595 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
13 1 29 LYS O 1 33 GLN H 2.300 . 2.800 2.597 2.453 2.657 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
14 1 29 LYS O 1 33 GLN N 3.300 2.400 3.500 3.510 3.382 3.535 0.035 18 0 "[ . 1 . 2 . 3 . 4]" 2
15 1 9 ASN H 1 55 VAL O 2.300 . 2.800 2.770 2.732 2.814 0.014 38 0 "[ . 1 . 2 . 3 . 4]" 2
16 1 9 ASN N 1 55 VAL O 3.300 2.400 3.500 3.583 3.555 3.637 0.137 38 0 "[ . 1 . 2 . 3 . 4]" 2
17 1 5 LYS H 1 51 LYS O 2.300 . 2.800 2.813 2.766 2.835 0.035 38 0 "[ . 1 . 2 . 3 . 4]" 2
18 1 5 LYS N 1 51 LYS O 3.300 2.400 3.500 3.432 3.283 3.541 0.041 29 0 "[ . 1 . 2 . 3 . 4]" 2
19 1 6 LEU H 1 17 THR O 2.300 . 2.800 2.180 1.781 2.557 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
20 1 6 LEU N 1 17 THR O 3.300 2.400 3.500 3.047 2.727 3.377 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
21 1 43 GLU H 1 56 THR O 2.300 . 2.800 2.815 2.661 2.836 0.036 38 0 "[ . 1 . 2 . 3 . 4]" 2
22 1 43 GLU N 1 56 THR O 3.300 2.400 3.500 3.517 3.389 3.546 0.046 21 0 "[ . 1 . 2 . 3 . 4]" 2
23 1 47 ASP O 1 51 LYS H 2.300 . 2.800 2.128 1.982 2.327 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
24 1 47 ASP O 1 51 LYS N 3.300 2.400 3.500 2.709 2.596 2.890 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
25 1 6 LEU O 1 17 THR H 2.300 . 2.800 2.355 1.910 2.807 0.007 29 0 "[ . 1 . 2 . 3 . 4]" 2
26 1 6 LEU O 1 17 THR N 3.300 2.400 3.500 3.132 2.744 3.472 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
27 1 2 THR O 1 21 ALA H 2.300 . 2.800 2.355 1.880 2.684 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
28 1 2 THR O 1 21 ALA N 3.300 2.400 3.500 3.222 2.746 3.526 0.026 33 0 "[ . 1 . 2 . 3 . 4]" 2
stop_
save_
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