NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
579037 |
2m5e   |
19050 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2m5e
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 34
_Distance_constraint_stats_list.Viol_count 0
_Distance_constraint_stats_list.Viol_total 0.000
_Distance_constraint_stats_list.Viol_max 0.000
_Distance_constraint_stats_list.Viol_rms 0.0000
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0000
_Distance_constraint_stats_list.Viol_average_violations_only 0.0000
_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
2 4 GLN 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 5 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 6 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 7 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 8 SER 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 9 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 10 ILE 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 11 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 12 ILE 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 13 GLN 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 14 ARG 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 15 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 16 TYR 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 17 ARG 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 18 ARG 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 19 TYR 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 20 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 21 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 22 LYS 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 23 GLN 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 24 LYS 0.000 0.000 . 0 "[ . 1 . 2 ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 2 13 GLN HA 2 15 ALA MB 5.000 . 5.500 3.679 3.600 3.801 . 0 0 "[ . 1 . 2 ]" 1
2 2 17 ARG HA 2 20 LEU H 5.000 . 5.500 3.136 3.038 3.227 . 0 0 "[ . 1 . 2 ]" 1
3 2 9 ALA HA 2 12 ILE HB 5.000 . 5.500 3.285 3.080 3.493 . 0 0 "[ . 1 . 2 ]" 1
4 2 10 ILE MG 2 14 ARG H 6.000 . 6.500 3.730 3.150 4.391 . 0 0 "[ . 1 . 2 ]" 1
5 2 14 ARG QB 2 17 ARG H 5.000 . 5.500 4.142 4.017 4.387 . 0 0 "[ . 1 . 2 ]" 1
6 2 14 ARG HA 2 18 ARG H 5.000 . 5.500 3.415 3.372 3.451 . 0 0 "[ . 1 . 2 ]" 1
7 2 8 SER HA 2 11 VAL HB 4.000 . 4.500 3.327 3.004 3.726 . 0 0 "[ . 1 . 2 ]" 1
8 2 8 SER QB 2 9 ALA MB 5.000 . 5.500 3.883 3.715 4.371 . 0 0 "[ . 1 . 2 ]" 1
9 2 15 ALA H 2 17 ARG H 6.000 . 6.500 3.815 3.711 3.910 . 0 0 "[ . 1 . 2 ]" 1
10 2 6 GLU QB 2 7 VAL H 5.000 . 5.500 2.360 2.173 2.565 . 0 0 "[ . 1 . 2 ]" 1
11 2 12 ILE HB 2 13 GLN H 5.000 . 5.500 2.349 2.088 2.510 . 0 0 "[ . 1 . 2 ]" 1
12 2 7 VAL QG 2 8 SER H 5.000 . 5.500 2.863 1.943 3.293 . 0 0 "[ . 1 . 2 ]" 1
13 2 13 GLN H 2 14 ARG HA 5.000 . 5.500 3.969 3.798 4.224 . 0 0 "[ . 1 . 2 ]" 1
14 2 10 ILE MG 2 12 ILE H 5.000 . 5.500 2.770 1.884 3.328 . 0 0 "[ . 1 . 2 ]" 1
15 2 12 ILE HA 2 14 ARG H 6.000 . 6.500 4.175 3.870 4.404 . 0 0 "[ . 1 . 2 ]" 1
16 2 14 ARG HA 2 15 ALA H 5.000 . 5.500 3.230 3.157 3.339 . 0 0 "[ . 1 . 2 ]" 1
17 2 15 ALA H 2 18 ARG H 6.000 . 6.500 4.012 3.798 4.302 . 0 0 "[ . 1 . 2 ]" 1
18 2 17 ARG HA 2 20 LEU QB 5.000 . 5.500 3.131 2.763 3.401 . 0 0 "[ . 1 . 2 ]" 1
19 2 12 ILE HA 2 13 GLN H 4.000 . 4.500 3.069 2.988 3.119 . 0 0 "[ . 1 . 2 ]" 1
20 2 13 GLN H 2 15 ALA H 5.000 . 5.500 2.652 2.521 2.811 . 0 0 "[ . 1 . 2 ]" 1
21 2 9 ALA HA 2 12 ILE MG 5.000 . 5.500 3.608 3.388 3.698 . 0 0 "[ . 1 . 2 ]" 1
22 2 13 GLN H 2 14 ARG QB 6.000 . 6.500 3.548 3.419 3.661 . 0 0 "[ . 1 . 2 ]" 1
23 2 16 TYR QE 2 20 LEU QD 5.000 . 5.500 2.521 2.063 2.897 . 0 0 "[ . 1 . 2 ]" 1
24 2 10 ILE HB 2 11 VAL HA 6.000 . 6.500 2.971 2.612 3.602 . 0 0 "[ . 1 . 2 ]" 1
25 2 7 VAL QG 2 10 ILE H 5.000 . 5.500 2.948 2.697 3.329 . 0 0 "[ . 1 . 2 ]" 1
26 2 4 GLN HA 2 7 VAL H 4.000 . 4.500 3.127 2.835 3.378 . 0 0 "[ . 1 . 2 ]" 1
27 2 17 ARG QD 2 18 ARG H 6.000 . 6.500 3.921 3.666 4.125 . 0 0 "[ . 1 . 2 ]" 1
28 2 21 LEU HA 2 23 GLN H 4.000 . 4.500 3.408 3.278 3.527 . 0 0 "[ . 1 . 2 ]" 1
29 2 7 VAL QG 2 9 ALA H 5.000 . 5.500 3.537 3.327 3.770 . 0 0 "[ . 1 . 2 ]" 1
30 2 12 ILE MG 2 13 GLN H 5.000 . 5.500 3.487 3.321 3.636 . 0 0 "[ . 1 . 2 ]" 1
31 2 21 LEU HA 2 24 LYS H 6.000 . 6.500 3.512 3.199 4.049 . 0 0 "[ . 1 . 2 ]" 1
32 2 9 ALA MB 2 10 ILE MD 6.000 . 6.500 3.751 2.773 4.645 . 0 0 "[ . 1 . 2 ]" 1
33 2 13 GLN H 2 14 ARG H 6.000 . 6.500 2.528 2.376 2.687 . 0 0 "[ . 1 . 2 ]" 1
34 2 17 ARG HA 2 20 LEU QD 4.000 . 4.500 3.425 2.376 4.091 . 0 0 "[ . 1 . 2 ]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 318
_Distance_constraint_stats_list.Viol_count 2
_Distance_constraint_stats_list.Viol_total 0.013
_Distance_constraint_stats_list.Viol_max 0.000
_Distance_constraint_stats_list.Viol_rms 0.0000
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0000
_Distance_constraint_stats_list.Viol_average_violations_only 0.0003
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 MET 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 2 LYS 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 3 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 4 GLN 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 5 ASP 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 6 SER 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 7 GLU 0.000 0.000 15 0 "[ . 1 . 2 ]"
1 8 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 9 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 10 LEU 0.000 0.000 15 0 "[ . 1 . 2 ]"
1 11 ILE 0.000 0.000 15 0 "[ . 1 . 2 ]"
1 12 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 13 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 14 PHE 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 15 LYS 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 16 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 17 PHE 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 18 ASP 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 19 ARG 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 20 ASP 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 21 GLY 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 22 ASN 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 23 GLY 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 24 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 25 ILE 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 26 SER 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 27 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 28 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 29 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 30 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 31 ARG 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 32 HIS 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 33 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 34 MET 0.000 0.000 19 0 "[ . 1 . 2 ]"
1 35 THR 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 36 ASN 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 37 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 38 GLY 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 39 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 40 LYS 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 41 LEU 0.000 0.000 19 0 "[ . 1 . 2 ]"
1 42 THR 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 43 ASP 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 44 ASP 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 45 GLU 0.000 0.000 19 0 "[ . 1 . 2 ]"
1 46 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 47 ASP 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 48 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 49 MET 0.000 0.000 19 0 "[ . 1 . 2 ]"
1 50 ILE 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 51 ARG 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 52 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 53 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 54 ASP 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 55 ILE 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 56 ASP 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 57 GLY 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 58 ASP 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 59 GLY 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 60 HIS 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 61 ILE 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 62 ASN 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 63 TYR 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 64 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 65 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 66 PHE 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 67 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 68 ARG 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 69 MET 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 70 MET 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 71 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 72 SER 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 73 LYS 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 8 SER 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 9 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 10 ILE 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 11 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 12 ILE 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 13 GLN 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 15 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 16 TYR 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 19 TYR 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 20 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 49 MET QB 1 50 ILE MD 6.000 . 6.500 3.525 3.032 4.054 . 0 0 "[ . 1 . 2 ]" 2
2 1 16 VAL HB 1 17 PHE QE 6.000 . 6.500 4.947 4.000 5.946 . 0 0 "[ . 1 . 2 ]" 2
3 1 26 SER QB 1 50 ILE MD 6.000 . 6.500 4.333 3.572 4.961 . 0 0 "[ . 1 . 2 ]" 2
4 1 27 ALA MB 1 60 HIS HD2 6.000 . 6.500 5.635 4.972 6.277 . 0 0 "[ . 1 . 2 ]" 2
5 1 16 VAL QG 1 33 VAL QG 6.000 . 6.500 2.311 1.747 3.404 . 0 0 "[ . 1 . 2 ]" 2
6 1 9 GLU QB 1 11 ILE MD 6.000 . 6.500 5.309 4.774 5.762 . 0 0 "[ . 1 . 2 ]" 2
7 1 69 MET QB 1 70 MET QB 6.000 . 6.500 3.599 3.258 3.859 . 0 0 "[ . 1 . 2 ]" 2
8 1 53 ALA MB 1 54 ASP HA 6.000 . 6.500 3.407 3.271 3.612 . 0 0 "[ . 1 . 2 ]" 2
9 1 32 HIS HD2 1 33 VAL QG 6.000 . 6.500 3.934 2.024 5.183 . 0 0 "[ . 1 . 2 ]" 2
10 1 11 ILE QG 1 63 TYR QD 6.000 . 6.500 4.075 3.398 4.512 . 0 0 "[ . 1 . 2 ]" 2
11 1 12 GLU HA 1 14 PHE QB 5.000 . 5.500 3.767 2.185 4.591 . 0 0 "[ . 1 . 2 ]" 2
12 1 50 ILE MD 1 61 ILE QG 6.000 . 6.500 2.151 1.843 2.405 . 0 0 "[ . 1 . 2 ]" 2
13 1 68 ARG HA 1 71 VAL QG 5.000 . 5.500 2.837 1.904 3.997 . 0 0 "[ . 1 . 2 ]" 2
14 1 66 PHE QB 1 70 MET ME 6.000 . 6.500 5.237 4.426 5.994 . 0 0 "[ . 1 . 2 ]" 2
15 1 34 MET QG 1 46 VAL QG 5.000 . 5.500 2.991 2.693 3.761 . 0 0 "[ . 1 . 2 ]" 2
16 1 17 PHE HZ 1 30 LEU QD 6.000 . 6.500 3.516 3.000 3.902 . 0 0 "[ . 1 . 2 ]" 2
17 1 49 MET ME 2 11 VAL QG 5.000 . 5.500 2.253 1.788 3.008 . 0 0 "[ . 1 . 2 ]" 2
18 1 14 PHE QE 1 18 ASP QB 6.000 . 6.500 3.107 2.188 3.959 . 0 0 "[ . 1 . 2 ]" 2
19 1 26 SER QB 1 30 LEU QB 6.000 . 6.500 4.721 4.610 4.848 . 0 0 "[ . 1 . 2 ]" 2
20 1 53 ALA MB 1 54 ASP QB 6.000 . 6.500 2.978 2.509 3.540 . 0 0 "[ . 1 . 2 ]" 2
21 1 17 PHE QD 1 30 LEU QD 6.000 . 6.500 2.869 1.937 3.806 . 0 0 "[ . 1 . 2 ]" 2
22 1 66 PHE HA 1 69 MET QB 5.000 . 5.500 2.910 2.548 3.362 . 0 0 "[ . 1 . 2 ]" 2
23 1 18 ASP QB 1 23 GLY QA 6.000 . 6.500 3.483 3.139 3.890 . 0 0 "[ . 1 . 2 ]" 2
24 1 19 ARG QB 1 29 GLU QB 5.000 . 5.500 3.944 2.736 5.426 . 0 0 "[ . 1 . 2 ]" 2
25 1 28 ALA MB 1 29 GLU QB 5.000 . 5.500 3.243 3.052 3.427 . 0 0 "[ . 1 . 2 ]" 2
26 1 10 LEU QD 1 70 MET HA 6.000 . 6.500 3.892 3.673 4.082 . 0 0 "[ . 1 . 2 ]" 2
27 1 18 ASP QB 1 25 ILE MG 6.000 . 6.500 3.666 3.261 4.313 . 0 0 "[ . 1 . 2 ]" 2
28 1 17 PHE HA 1 25 ILE MG 6.000 . 6.500 3.105 2.043 3.568 . 0 0 "[ . 1 . 2 ]" 2
29 1 50 ILE MD 1 54 ASP QB 6.000 . 6.500 4.975 4.413 5.249 . 0 0 "[ . 1 . 2 ]" 2
30 1 11 ILE MG 1 14 PHE QB 5.000 . 5.500 3.865 1.971 4.517 . 0 0 "[ . 1 . 2 ]" 2
31 1 53 ALA HA 1 55 ILE MG 6.000 . 6.500 5.189 5.136 5.259 . 0 0 "[ . 1 . 2 ]" 2
32 1 67 VAL HB 1 71 VAL QG 6.000 . 6.500 3.788 3.052 4.504 . 0 0 "[ . 1 . 2 ]" 2
33 1 2 LYS QB 1 6 SER QB 6.000 . 6.500 2.258 1.880 2.998 . 0 0 "[ . 1 . 2 ]" 2
34 1 7 GLU QG 1 11 ILE QG 6.000 . 6.500 4.212 3.652 4.500 . 0 0 "[ . 1 . 2 ]" 2
35 1 19 ARG QG 1 33 VAL QG 6.000 . 6.500 3.044 2.110 3.736 . 0 0 "[ . 1 . 2 ]" 2
36 1 17 PHE QE 1 25 ILE MG 6.000 . 6.500 4.152 3.266 4.762 . 0 0 "[ . 1 . 2 ]" 2
37 1 24 LEU QB 1 60 HIS HA 6.000 . 6.500 3.171 2.974 3.295 . 0 0 "[ . 1 . 2 ]" 2
38 1 24 LEU QB 1 26 SER HA 6.000 . 6.500 3.888 3.701 4.038 . 0 0 "[ . 1 . 2 ]" 2
39 1 50 ILE HB 1 51 ARG QG 6.000 . 6.500 4.744 3.307 5.629 . 0 0 "[ . 1 . 2 ]" 2
40 1 53 ALA HA 1 55 ILE QG 5.000 . 5.500 3.447 3.355 3.601 . 0 0 "[ . 1 . 2 ]" 2
41 1 14 PHE HZ 1 63 TYR QD 6.000 . 6.500 4.162 3.648 4.598 . 0 0 "[ . 1 . 2 ]" 2
42 1 17 PHE HA 1 33 VAL QG 5.000 . 5.500 1.999 1.768 2.253 . 0 0 "[ . 1 . 2 ]" 2
43 1 34 MET ME 1 37 LEU QD 4.000 . 4.500 2.652 1.887 3.542 . 0 0 "[ . 1 . 2 ]" 2
44 1 36 ASN HA 1 38 GLY QA 6.000 . 6.500 3.535 3.524 3.549 . 0 0 "[ . 1 . 2 ]" 2
45 1 21 GLY QA 1 22 ASN HA 6.000 . 6.500 3.602 3.578 3.651 . 0 0 "[ . 1 . 2 ]" 2
46 1 19 ARG QB 1 33 VAL QG 6.000 . 6.500 3.077 2.770 3.387 . 0 0 "[ . 1 . 2 ]" 2
47 1 53 ALA MB 1 69 MET HA 5.000 . 5.500 3.874 3.223 4.228 . 0 0 "[ . 1 . 2 ]" 2
48 1 44 ASP QB 1 45 GLU HA 5.000 . 5.500 2.208 1.844 2.592 . 0 0 "[ . 1 . 2 ]" 2
49 1 55 ILE MG 1 62 ASN QB 5.000 . 5.500 5.046 4.079 5.468 . 0 0 "[ . 1 . 2 ]" 2
50 1 7 GLU QG 1 11 ILE QG 6.000 . 6.500 4.889 3.130 5.199 . 0 0 "[ . 1 . 2 ]" 2
51 1 19 ARG QB 1 33 VAL QG 6.000 . 6.500 3.257 2.101 3.825 . 0 0 "[ . 1 . 2 ]" 2
52 1 34 MET ME 1 41 LEU QD 5.000 . 5.500 1.954 1.725 2.238 . 0 0 "[ . 1 . 2 ]" 2
53 1 34 MET QB 1 41 LEU QD 6.000 . 6.500 2.148 1.833 2.536 . 0 0 "[ . 1 . 2 ]" 2
54 1 7 GLU QG 1 11 ILE HA 6.000 . 6.500 5.353 4.526 5.673 . 0 0 "[ . 1 . 2 ]" 2
55 1 4 GLN QB 1 5 ASP HA 5.000 . 5.500 3.708 3.421 4.025 . 0 0 "[ . 1 . 2 ]" 2
56 1 53 ALA MB 1 69 MET QG 5.000 . 5.500 2.681 1.865 3.567 . 0 0 "[ . 1 . 2 ]" 2
57 1 14 PHE QD 1 25 ILE MD 6.000 . 6.500 2.853 2.050 3.266 . 0 0 "[ . 1 . 2 ]" 2
58 1 11 ILE QG 1 15 LYS QG 5.000 . 5.500 4.074 2.679 4.830 . 0 0 "[ . 1 . 2 ]" 2
59 1 52 GLU QG 1 53 ALA MB 5.000 . 5.500 2.678 1.851 3.646 . 0 0 "[ . 1 . 2 ]" 2
60 1 6 SER HA 1 9 GLU QB 6.000 . 6.500 2.988 2.505 3.375 . 0 0 "[ . 1 . 2 ]" 2
61 1 17 PHE QD 1 37 LEU QD 6.000 . 6.500 3.661 2.692 4.819 . 0 0 "[ . 1 . 2 ]" 2
62 1 13 ALA MB 1 14 PHE HA 6.000 . 6.500 3.459 3.369 3.534 . 0 0 "[ . 1 . 2 ]" 2
63 1 17 PHE HA 1 29 GLU QB 6.000 . 6.500 3.779 3.633 3.877 . 0 0 "[ . 1 . 2 ]" 2
64 1 7 GLU HA 1 10 LEU HG 5.000 . 5.500 2.488 2.115 2.795 . 0 0 "[ . 1 . 2 ]" 2
65 1 69 MET QB 1 70 MET QB 6.000 . 6.500 3.944 3.556 4.325 . 0 0 "[ . 1 . 2 ]" 2
66 1 26 SER QB 1 27 ALA MB 6.000 . 6.500 3.113 2.778 3.464 . 0 0 "[ . 1 . 2 ]" 2
67 1 17 PHE QE 1 30 LEU QD 5.000 . 5.500 2.394 1.866 3.307 . 0 0 "[ . 1 . 2 ]" 2
68 1 14 PHE QE 1 24 LEU QD 6.000 . 6.500 2.450 1.967 3.253 . 0 0 "[ . 1 . 2 ]" 2
69 1 34 MET ME 1 41 LEU QB 5.000 . 5.500 2.707 1.850 3.761 . 0 0 "[ . 1 . 2 ]" 2
70 1 7 GLU HA 1 10 LEU QD 5.000 . 5.500 3.390 2.457 3.748 . 0 0 "[ . 1 . 2 ]" 2
71 1 52 GLU QB 1 72 SER QB 6.000 . 6.500 4.086 3.258 4.701 . 0 0 "[ . 1 . 2 ]" 2
72 1 3 GLU HA 1 3 GLU QG 3.000 . 3.500 2.032 1.883 2.261 . 0 0 "[ . 1 . 2 ]" 2
73 1 67 VAL QG 1 70 MET QB 6.000 . 6.500 3.603 3.180 4.164 . 0 0 "[ . 1 . 2 ]" 2
74 1 70 MET HA 1 72 SER QB 6.000 . 6.500 4.467 4.212 4.758 . 0 0 "[ . 1 . 2 ]" 2
75 1 14 PHE QB 1 63 TYR HA 6.000 . 6.500 3.784 3.376 4.374 . 0 0 "[ . 1 . 2 ]" 2
76 1 10 LEU QB 1 66 PHE QE 6.000 . 6.500 2.758 2.189 3.275 . 0 0 "[ . 1 . 2 ]" 2
77 1 9 GLU QG 2 19 TYR QE 5.000 . 5.500 4.305 3.577 5.234 . 0 0 "[ . 1 . 2 ]" 2
78 1 43 ASP QB 1 46 VAL QG 6.000 . 6.500 3.738 2.812 4.105 . 0 0 "[ . 1 . 2 ]" 2
79 1 11 ILE HA 1 14 PHE HA 5.000 . 5.500 2.790 2.502 3.036 . 0 0 "[ . 1 . 2 ]" 2
80 1 27 ALA MB 1 31 ARG QB 6.000 . 6.500 4.042 3.441 4.692 . 0 0 "[ . 1 . 2 ]" 2
81 1 10 LEU QD 1 70 MET QB 5.000 . 5.500 2.203 1.873 2.523 . 0 0 "[ . 1 . 2 ]" 2
82 1 34 MET HA 1 34 MET ME 5.000 . 5.500 2.431 2.139 2.646 . 0 0 "[ . 1 . 2 ]" 2
83 1 17 PHE QB 1 18 ASP QB 6.000 . 6.500 2.614 1.934 3.063 . 0 0 "[ . 1 . 2 ]" 2
84 1 10 LEU QB 1 67 VAL HA 5.000 . 5.500 2.775 2.320 3.322 . 0 0 "[ . 1 . 2 ]" 2
85 1 29 GLU QB 1 33 VAL QG 6.000 . 6.500 3.188 2.965 3.384 . 0 0 "[ . 1 . 2 ]" 2
86 1 52 GLU QB 1 53 ALA MB 5.000 . 5.500 2.232 1.901 2.609 . 0 0 "[ . 1 . 2 ]" 2
87 1 50 ILE MD 1 61 ILE MG 6.000 . 6.500 3.974 3.632 4.283 . 0 0 "[ . 1 . 2 ]" 2
88 1 16 VAL HB 1 17 PHE QD 6.000 . 6.500 3.244 2.361 4.179 . 0 0 "[ . 1 . 2 ]" 2
89 1 34 MET QB 1 41 LEU QD 6.000 . 6.500 1.932 1.700 2.166 0.000 19 0 "[ . 1 . 2 ]" 2
90 1 50 ILE HA 1 61 ILE MG 5.000 . 5.500 2.563 1.945 3.142 . 0 0 "[ . 1 . 2 ]" 2
91 1 24 LEU QD 1 60 HIS HA 5.000 . 5.500 4.143 3.613 4.598 . 0 0 "[ . 1 . 2 ]" 2
92 1 34 MET QB 1 46 VAL QG 6.000 . 6.500 3.570 3.171 4.020 . 0 0 "[ . 1 . 2 ]" 2
93 1 52 GLU HA 1 53 ALA HA 5.000 . 5.500 4.344 4.201 4.524 . 0 0 "[ . 1 . 2 ]" 2
94 1 16 VAL HB 1 17 PHE H 6.000 . 6.500 3.074 2.447 3.791 . 0 0 "[ . 1 . 2 ]" 2
95 1 53 ALA HA 1 65 GLU QG 6.000 . 6.500 3.440 2.594 4.118 . 0 0 "[ . 1 . 2 ]" 2
96 1 47 ASP HA 1 50 ILE MD 6.000 . 6.500 3.215 2.043 4.144 . 0 0 "[ . 1 . 2 ]" 2
97 1 31 ARG QB 1 41 LEU QB 6.000 . 6.500 3.432 2.982 3.995 . 0 0 "[ . 1 . 2 ]" 2
98 1 18 ASP HA 1 19 ARG HA 6.000 . 6.500 4.106 4.048 4.145 . 0 0 "[ . 1 . 2 ]" 2
99 1 50 ILE MD 1 59 GLY QA 6.000 . 6.500 2.838 2.123 3.256 . 0 0 "[ . 1 . 2 ]" 2
100 1 43 ASP QB 1 46 VAL QG 6.000 . 6.500 3.528 2.791 3.846 . 0 0 "[ . 1 . 2 ]" 2
101 1 17 PHE QE 1 70 MET ME 6.000 . 6.500 4.109 3.437 4.593 . 0 0 "[ . 1 . 2 ]" 2
102 1 34 MET QB 1 41 LEU QB 5.000 . 5.500 2.441 1.839 2.898 . 0 0 "[ . 1 . 2 ]" 2
103 1 61 ILE HB 1 66 PHE HA 5.000 . 5.500 2.819 2.516 3.145 . 0 0 "[ . 1 . 2 ]" 2
104 1 44 ASP QB 1 48 GLU QG 5.000 . 5.500 3.533 3.088 4.053 . 0 0 "[ . 1 . 2 ]" 2
105 1 25 ILE HB 1 50 ILE MD 6.000 . 6.500 3.544 3.007 4.166 . 0 0 "[ . 1 . 2 ]" 2
106 1 17 PHE HA 1 33 VAL HA 6.000 . 6.500 4.970 4.637 5.265 . 0 0 "[ . 1 . 2 ]" 2
107 1 10 LEU HG 1 13 ALA MB 5.000 . 5.500 4.704 4.545 4.894 . 0 0 "[ . 1 . 2 ]" 2
108 1 19 ARG HA 1 20 ASP QB 6.000 . 6.500 4.806 4.387 5.217 . 0 0 "[ . 1 . 2 ]" 2
109 1 63 TYR HA 1 63 TYR QE 6.000 . 6.500 4.108 3.767 4.410 . 0 0 "[ . 1 . 2 ]" 2
110 1 61 ILE HA 1 65 GLU HA 6.000 . 6.500 5.190 4.580 5.556 . 0 0 "[ . 1 . 2 ]" 2
111 1 3 GLU HA 1 10 LEU QD 5.000 . 5.500 3.229 2.361 3.754 . 0 0 "[ . 1 . 2 ]" 2
112 1 14 PHE QE 1 25 ILE MG 6.000 . 6.500 4.062 3.263 4.559 . 0 0 "[ . 1 . 2 ]" 2
113 1 22 ASN QB 1 24 LEU HA 6.000 . 6.500 5.536 4.856 6.094 . 0 0 "[ . 1 . 2 ]" 2
114 1 27 ALA HA 1 46 VAL QG 5.000 . 5.500 2.411 1.921 2.706 . 0 0 "[ . 1 . 2 ]" 2
115 1 33 VAL QG 1 36 ASN HA 6.000 . 6.500 4.821 4.363 5.641 . 0 0 "[ . 1 . 2 ]" 2
116 1 25 ILE MG 1 69 MET ME 6.000 . 6.500 3.728 3.060 4.548 . 0 0 "[ . 1 . 2 ]" 2
117 1 34 MET QG 1 39 GLU QG 6.000 . 6.500 4.737 3.301 5.407 . 0 0 "[ . 1 . 2 ]" 2
118 1 10 LEU QB 1 11 ILE HA 6.000 . 6.500 3.653 3.458 3.890 . 0 0 "[ . 1 . 2 ]" 2
119 1 46 VAL QG 1 49 MET ME 6.000 . 6.500 2.133 1.784 2.526 . 0 0 "[ . 1 . 2 ]" 2
120 1 30 LEU QD 1 69 MET ME 5.000 . 5.500 2.423 1.839 3.047 . 0 0 "[ . 1 . 2 ]" 2
121 1 37 LEU QD 1 39 GLU QB 6.000 . 6.500 2.287 1.835 3.126 . 0 0 "[ . 1 . 2 ]" 2
122 1 11 ILE HA 1 14 PHE QB 5.000 . 5.500 2.745 2.486 2.965 . 0 0 "[ . 1 . 2 ]" 2
123 1 33 VAL QG 1 36 ASN QB 6.000 . 6.500 3.212 2.792 3.967 . 0 0 "[ . 1 . 2 ]" 2
124 1 13 ALA HA 1 16 VAL QG 6.000 . 6.500 2.296 1.837 2.952 . 0 0 "[ . 1 . 2 ]" 2
125 1 66 PHE HA 1 70 MET ME 6.000 . 6.500 3.012 2.092 4.144 . 0 0 "[ . 1 . 2 ]" 2
126 1 53 ALA MB 1 65 GLU QB 6.000 . 6.500 2.775 2.078 3.582 . 0 0 "[ . 1 . 2 ]" 2
127 1 14 PHE HA 1 14 PHE QE 6.000 . 6.500 3.905 2.545 4.351 . 0 0 "[ . 1 . 2 ]" 2
128 1 11 ILE HB 1 14 PHE QB 6.000 . 6.500 3.526 3.008 3.830 . 0 0 "[ . 1 . 2 ]" 2
129 1 54 ASP QB 1 61 ILE MD 6.000 . 6.500 4.301 2.828 5.008 . 0 0 "[ . 1 . 2 ]" 2
130 1 15 LYS QB 1 18 ASP QB 6.000 . 6.500 4.317 3.915 5.406 . 0 0 "[ . 1 . 2 ]" 2
131 1 50 ILE HA 1 61 ILE HB 6.000 . 6.500 4.407 3.855 4.964 . 0 0 "[ . 1 . 2 ]" 2
132 1 51 ARG QD 1 54 ASP QB 5.000 . 5.500 3.988 3.260 4.820 . 0 0 "[ . 1 . 2 ]" 2
133 1 31 ARG QB 1 46 VAL QG 5.000 . 5.500 2.113 1.846 2.494 . 0 0 "[ . 1 . 2 ]" 2
134 1 47 ASP QB 1 50 ILE MG 6.000 . 6.500 4.472 4.193 4.758 . 0 0 "[ . 1 . 2 ]" 2
135 1 32 HIS HA 1 36 ASN QB 6.000 . 6.500 4.652 4.441 5.510 . 0 0 "[ . 1 . 2 ]" 2
136 1 17 PHE QE 1 37 LEU QD 5.000 . 5.500 2.789 1.939 3.427 . 0 0 "[ . 1 . 2 ]" 2
137 1 69 MET QG 1 70 MET QB 6.000 . 6.500 4.507 4.109 4.988 . 0 0 "[ . 1 . 2 ]" 2
138 1 51 ARG HA 1 51 ARG QD 4.000 . 4.500 2.687 2.157 3.205 . 0 0 "[ . 1 . 2 ]" 2
139 1 17 PHE QE 1 69 MET ME 6.000 . 6.500 3.723 2.590 4.894 . 0 0 "[ . 1 . 2 ]" 2
140 1 44 ASP QB 1 45 GLU QB 5.000 . 5.500 3.884 3.422 4.441 . 0 0 "[ . 1 . 2 ]" 2
141 1 16 VAL QG 1 17 PHE QE 6.000 . 6.500 3.580 3.049 4.215 . 0 0 "[ . 1 . 2 ]" 2
142 1 17 PHE QD 1 25 ILE MD 6.000 . 6.500 2.339 1.867 2.722 . 0 0 "[ . 1 . 2 ]" 2
143 1 53 ALA HA 1 61 ILE MD 6.000 . 6.500 4.788 3.038 5.320 . 0 0 "[ . 1 . 2 ]" 2
144 1 63 TYR QB 1 67 VAL QG 6.000 . 6.500 3.750 3.286 4.076 . 0 0 "[ . 1 . 2 ]" 2
145 1 50 ILE MG 1 51 ARG HA 5.000 . 5.500 2.757 2.122 3.110 . 0 0 "[ . 1 . 2 ]" 2
146 1 19 ARG QD 1 29 GLU QB 5.000 . 5.500 4.189 3.194 5.265 . 0 0 "[ . 1 . 2 ]" 2
147 1 11 ILE HA 1 12 GLU HA 5.000 . 5.500 3.381 2.639 4.054 . 0 0 "[ . 1 . 2 ]" 2
148 1 46 VAL QG 1 49 MET QG 6.000 . 6.500 3.044 2.255 3.692 . 0 0 "[ . 1 . 2 ]" 2
149 1 44 ASP QB 1 45 GLU HA 5.000 . 5.500 3.471 3.326 3.638 . 0 0 "[ . 1 . 2 ]" 2
150 1 27 ALA MB 1 46 VAL QG 5.000 . 5.500 2.515 1.939 3.025 . 0 0 "[ . 1 . 2 ]" 2
151 1 34 MET QG 1 41 LEU QD 5.000 . 5.500 2.091 1.704 2.893 . 0 0 "[ . 1 . 2 ]" 2
152 1 13 ALA HA 1 17 PHE QE 6.000 . 6.500 4.113 3.679 4.345 . 0 0 "[ . 1 . 2 ]" 2
153 1 14 PHE HZ 1 25 ILE MD 6.000 . 6.500 2.948 2.092 3.791 . 0 0 "[ . 1 . 2 ]" 2
154 1 11 ILE MD 1 14 PHE QB 6.000 . 6.500 3.386 2.647 4.437 . 0 0 "[ . 1 . 2 ]" 2
155 1 4 GLN QB 1 5 ASP QB 6.000 . 6.500 4.395 3.915 4.785 . 0 0 "[ . 1 . 2 ]" 2
156 1 6 SER QB 1 8 GLU QG 6.000 . 6.500 2.979 2.255 3.624 . 0 0 "[ . 1 . 2 ]" 2
157 1 17 PHE QB 1 61 ILE MG 6.000 . 6.500 3.710 1.933 4.088 . 0 0 "[ . 1 . 2 ]" 2
158 1 62 ASN QB 1 65 GLU QG 6.000 . 6.500 2.938 2.468 3.406 . 0 0 "[ . 1 . 2 ]" 2
159 1 34 MET ME 1 41 LEU QB 5.000 . 5.500 3.142 1.847 4.184 . 0 0 "[ . 1 . 2 ]" 2
160 1 13 ALA MB 1 17 PHE QE 5.000 . 5.500 2.511 1.975 2.755 . 0 0 "[ . 1 . 2 ]" 2
161 1 11 ILE MG 1 12 GLU HA 5.000 . 5.500 3.295 3.150 3.527 . 0 0 "[ . 1 . 2 ]" 2
162 1 41 LEU QB 1 49 MET ME 5.000 . 5.500 2.423 1.809 3.087 . 0 0 "[ . 1 . 2 ]" 2
163 1 17 PHE HA 1 25 ILE MD 6.000 . 6.500 4.333 3.952 4.799 . 0 0 "[ . 1 . 2 ]" 2
164 1 64 GLU QB 1 68 ARG QD 6.000 . 6.500 4.161 3.350 5.527 . 0 0 "[ . 1 . 2 ]" 2
165 1 24 LEU QB 1 25 ILE MD 6.000 . 6.500 3.753 3.387 4.139 . 0 0 "[ . 1 . 2 ]" 2
166 1 30 LEU QD 1 33 VAL QG 6.000 . 6.500 2.213 1.752 2.863 . 0 0 "[ . 1 . 2 ]" 2
167 1 25 ILE HB 1 30 LEU QB 5.000 . 5.500 3.700 3.454 3.970 . 0 0 "[ . 1 . 2 ]" 2
168 1 48 GLU HA 1 52 GLU QB 5.000 . 5.500 2.973 2.518 4.117 . 0 0 "[ . 1 . 2 ]" 2
169 1 7 GLU HA 1 67 VAL HA 6.000 . 6.500 5.249 4.985 5.660 . 0 0 "[ . 1 . 2 ]" 2
170 1 30 LEU QD 1 33 VAL HB 6.000 . 6.500 3.141 2.471 3.724 . 0 0 "[ . 1 . 2 ]" 2
171 1 11 ILE QG 1 15 LYS QE 4.000 . 4.500 2.682 1.950 3.541 . 0 0 "[ . 1 . 2 ]" 2
172 1 54 ASP QB 1 61 ILE HA 6.000 . 6.500 3.583 2.472 3.805 . 0 0 "[ . 1 . 2 ]" 2
173 1 28 ALA HA 1 29 GLU QB 5.000 . 5.500 4.715 4.580 4.828 . 0 0 "[ . 1 . 2 ]" 2
174 1 10 LEU QD 1 70 MET QB 5.000 . 5.500 2.396 1.927 2.889 . 0 0 "[ . 1 . 2 ]" 2
175 1 10 LEU HG 1 66 PHE QE 6.000 . 6.500 3.732 2.593 4.937 . 0 0 "[ . 1 . 2 ]" 2
176 1 35 THR HA 1 39 GLU HA 5.000 . 5.500 3.815 3.640 4.043 . 0 0 "[ . 1 . 2 ]" 2
177 1 54 ASP HA 1 55 ILE MG 6.000 . 6.500 4.088 3.186 4.779 . 0 0 "[ . 1 . 2 ]" 2
178 1 7 GLU QG 1 10 LEU HG 5.000 . 5.500 4.809 3.457 5.500 0.000 15 0 "[ . 1 . 2 ]" 2
179 1 19 ARG QB 1 29 GLU QB 5.000 . 5.500 3.539 2.424 4.898 . 0 0 "[ . 1 . 2 ]" 2
180 1 24 LEU QD 1 61 ILE MD 6.000 . 6.500 3.370 2.265 4.703 . 0 0 "[ . 1 . 2 ]" 2
181 1 53 ALA MB 1 68 ARG HA 6.000 . 6.500 5.374 4.426 5.919 . 0 0 "[ . 1 . 2 ]" 2
182 1 13 ALA HA 2 16 TYR QE 5.000 . 5.500 3.310 3.057 3.721 . 0 0 "[ . 1 . 2 ]" 2
183 1 18 ASP HA 1 19 ARG QB 6.000 . 6.500 3.644 3.482 3.993 . 0 0 "[ . 1 . 2 ]" 2
184 1 11 ILE HB 1 15 LYS QE 3.000 . 3.500 2.075 1.922 2.340 . 0 0 "[ . 1 . 2 ]" 2
185 1 37 LEU QD 1 39 GLU QB 5.000 . 5.500 2.043 1.811 2.267 . 0 0 "[ . 1 . 2 ]" 2
186 1 25 ILE MG 1 50 ILE MD 6.000 . 6.500 2.154 1.827 2.497 . 0 0 "[ . 1 . 2 ]" 2
187 1 55 ILE MG 1 68 ARG QD 5.000 . 5.500 3.853 2.907 4.622 . 0 0 "[ . 1 . 2 ]" 2
188 1 10 LEU QD 1 67 VAL QG 5.000 . 5.500 2.170 1.775 2.627 . 0 0 "[ . 1 . 2 ]" 2
189 1 50 ILE MD 1 69 MET ME 6.000 . 6.500 4.081 3.067 4.787 . 0 0 "[ . 1 . 2 ]" 2
190 1 7 GLU QG 1 11 ILE HB 5.000 . 5.500 4.114 3.140 4.594 . 0 0 "[ . 1 . 2 ]" 2
191 1 34 MET ME 2 11 VAL QG 6.000 . 6.500 2.400 1.786 3.336 . 0 0 "[ . 1 . 2 ]" 2
192 1 53 ALA HA 1 55 ILE MD 6.000 . 6.500 4.159 3.155 4.603 . 0 0 "[ . 1 . 2 ]" 2
193 1 8 GLU QG 1 11 ILE MD 5.000 . 5.500 4.563 3.212 4.975 . 0 0 "[ . 1 . 2 ]" 2
194 1 17 PHE QE 1 33 VAL QG 6.000 . 6.500 2.602 2.104 3.152 . 0 0 "[ . 1 . 2 ]" 2
195 1 1 MET ME 1 2 LYS QE 6.000 . 6.500 5.171 3.021 6.272 . 0 0 "[ . 1 . 2 ]" 2
196 1 16 VAL QG 2 16 TYR QE 6.000 . 6.500 2.686 2.319 3.038 . 0 0 "[ . 1 . 2 ]" 2
197 1 68 ARG QB 1 72 SER QB 6.000 . 6.500 3.670 3.089 4.111 . 0 0 "[ . 1 . 2 ]" 2
198 1 22 ASN QB 1 24 LEU QD 5.000 . 5.500 3.001 1.916 3.407 . 0 0 "[ . 1 . 2 ]" 2
199 1 27 ALA MB 1 43 ASP QB 6.000 . 6.500 3.952 3.412 4.799 . 0 0 "[ . 1 . 2 ]" 2
200 1 10 LEU QD 1 63 TYR QE 6.000 . 6.500 2.903 1.978 3.323 . 0 0 "[ . 1 . 2 ]" 2
201 1 34 MET ME 1 46 VAL QG 6.000 . 6.500 2.388 1.784 3.303 . 0 0 "[ . 1 . 2 ]" 2
202 1 10 LEU QD 1 70 MET ME 6.000 . 6.500 2.082 1.728 2.623 . 0 0 "[ . 1 . 2 ]" 2
203 1 25 ILE MD 1 30 LEU QD 6.000 . 6.500 3.012 2.473 3.862 . 0 0 "[ . 1 . 2 ]" 2
204 1 5 ASP HA 1 10 LEU QD 6.000 . 6.500 5.437 5.261 5.608 . 0 0 "[ . 1 . 2 ]" 2
205 1 33 VAL HA 1 37 LEU QD 5.000 . 5.500 2.878 2.285 3.622 . 0 0 "[ . 1 . 2 ]" 2
206 1 30 LEU QB 1 34 MET QG 6.000 . 6.500 3.104 2.328 3.978 . 0 0 "[ . 1 . 2 ]" 2
207 1 10 LEU QB 1 67 VAL QG 6.000 . 6.500 3.046 2.512 3.488 . 0 0 "[ . 1 . 2 ]" 2
208 1 14 PHE HA 1 63 TYR QB 6.000 . 6.500 4.384 3.764 5.057 . 0 0 "[ . 1 . 2 ]" 2
209 1 17 PHE HA 1 33 VAL HB 5.000 . 5.500 3.312 2.258 4.136 . 0 0 "[ . 1 . 2 ]" 2
210 1 53 ALA HA 1 61 ILE MG 6.000 . 6.500 4.035 3.011 4.703 . 0 0 "[ . 1 . 2 ]" 2
211 1 54 ASP QB 1 61 ILE MD 6.000 . 6.500 4.924 3.277 5.561 . 0 0 "[ . 1 . 2 ]" 2
212 1 49 MET HA 1 50 ILE HA 5.000 . 5.500 4.259 4.236 4.278 . 0 0 "[ . 1 . 2 ]" 2
213 1 30 LEU QD 1 49 MET ME 6.000 . 6.500 2.132 1.794 2.442 . 0 0 "[ . 1 . 2 ]" 2
214 1 19 ARG QG 1 29 GLU QB 6.000 . 6.500 4.370 2.480 5.665 . 0 0 "[ . 1 . 2 ]" 2
215 1 28 ALA HA 1 31 ARG QD 5.000 . 5.500 3.706 3.028 4.463 . 0 0 "[ . 1 . 2 ]" 2
216 1 9 GLU QG 1 10 LEU QD 5.000 . 5.500 2.807 1.915 3.534 . 0 0 "[ . 1 . 2 ]" 2
217 1 14 PHE QE 1 61 ILE MD 6.000 . 6.500 4.150 3.473 5.332 . 0 0 "[ . 1 . 2 ]" 2
218 1 53 ALA HA 1 65 GLU QB 6.000 . 6.500 3.258 2.397 3.808 . 0 0 "[ . 1 . 2 ]" 2
219 1 7 GLU QG 1 11 ILE HB 5.000 . 5.500 3.814 3.067 4.018 . 0 0 "[ . 1 . 2 ]" 2
220 1 25 ILE HA 1 29 GLU QB 6.000 . 6.500 2.954 2.534 3.404 . 0 0 "[ . 1 . 2 ]" 2
221 1 7 GLU QG 1 67 VAL QG 6.000 . 6.500 3.019 2.492 3.776 . 0 0 "[ . 1 . 2 ]" 2
222 1 15 LYS QB 1 16 VAL QG 6.000 . 6.500 3.179 2.882 3.815 . 0 0 "[ . 1 . 2 ]" 2
223 1 39 GLU QG 1 41 LEU QD 6.000 . 6.500 2.969 2.032 3.518 . 0 0 "[ . 1 . 2 ]" 2
224 1 13 ALA MB 2 16 TYR QE 5.000 . 5.500 2.059 1.846 2.730 . 0 0 "[ . 1 . 2 ]" 2
225 1 51 ARG HA 1 61 ILE MD 6.000 . 6.500 4.503 3.873 4.952 . 0 0 "[ . 1 . 2 ]" 2
226 1 49 MET HA 1 69 MET ME 5.000 . 5.500 3.477 3.078 3.784 . 0 0 "[ . 1 . 2 ]" 2
227 1 7 GLU QB 1 67 VAL QG 6.000 . 6.500 3.793 3.348 4.060 . 0 0 "[ . 1 . 2 ]" 2
228 1 55 ILE MD 1 61 ILE MD 5.000 . 5.500 5.052 3.859 5.492 . 0 0 "[ . 1 . 2 ]" 2
229 1 10 LEU QB 1 63 TYR QD 6.000 . 6.500 3.916 3.193 4.558 . 0 0 "[ . 1 . 2 ]" 2
230 1 19 ARG QB 1 32 HIS HD2 6.000 . 6.500 5.191 4.406 5.999 . 0 0 "[ . 1 . 2 ]" 2
231 1 53 ALA MB 1 54 ASP QB 6.000 . 6.500 3.797 3.279 4.193 . 0 0 "[ . 1 . 2 ]" 2
232 1 10 LEU HA 1 13 ALA MB 5.000 . 5.500 2.506 2.187 2.763 . 0 0 "[ . 1 . 2 ]" 2
233 1 41 LEU QB 1 45 GLU QB 5.000 . 5.500 2.599 1.844 3.539 . 0 0 "[ . 1 . 2 ]" 2
234 1 34 MET QB 1 46 VAL QG 6.000 . 6.500 3.721 3.479 3.971 . 0 0 "[ . 1 . 2 ]" 2
235 1 54 ASP QB 1 55 ILE HA 6.000 . 6.500 4.045 3.827 4.348 . 0 0 "[ . 1 . 2 ]" 2
236 1 2 LYS QB 1 5 ASP HA 6.000 . 6.500 4.964 4.036 6.062 . 0 0 "[ . 1 . 2 ]" 2
237 1 11 ILE QG 1 14 PHE QB 6.000 . 6.500 2.689 1.945 4.076 . 0 0 "[ . 1 . 2 ]" 2
238 1 19 ARG QG 1 29 GLU QB 6.000 . 6.500 3.680 3.337 4.002 . 0 0 "[ . 1 . 2 ]" 2
239 1 31 ARG QB 1 41 LEU QD 5.000 . 5.500 2.085 1.700 3.254 . 0 0 "[ . 1 . 2 ]" 2
240 1 18 ASP HA 1 29 GLU QB 6.000 . 6.500 3.546 2.249 4.263 . 0 0 "[ . 1 . 2 ]" 2
241 1 6 SER HA 1 7 GLU QB 6.000 . 6.500 4.476 3.788 5.028 . 0 0 "[ . 1 . 2 ]" 2
242 1 53 ALA MB 1 69 MET QB 6.000 . 6.500 2.385 1.927 2.924 . 0 0 "[ . 1 . 2 ]" 2
243 1 29 GLU QB 1 50 ILE MD 6.000 . 6.500 4.745 4.193 5.238 . 0 0 "[ . 1 . 2 ]" 2
244 1 69 MET QG 1 70 MET HA 5.000 . 5.500 3.611 3.100 4.339 . 0 0 "[ . 1 . 2 ]" 2
245 1 19 ARG QG 1 29 GLU QB 6.000 . 6.500 3.760 3.300 4.244 . 0 0 "[ . 1 . 2 ]" 2
246 1 10 LEU QB 1 11 ILE MD 6.000 . 6.500 4.130 3.209 4.656 . 0 0 "[ . 1 . 2 ]" 2
247 1 6 SER HA 1 7 GLU QG 6.000 . 6.500 4.036 2.851 5.021 . 0 0 "[ . 1 . 2 ]" 2
248 1 50 ILE HA 1 69 MET ME 6.000 . 6.500 3.799 3.266 4.361 . 0 0 "[ . 1 . 2 ]" 2
249 1 24 LEU QD 1 65 GLU QB 6.000 . 6.500 3.096 1.919 3.775 . 0 0 "[ . 1 . 2 ]" 2
250 1 46 VAL HA 1 49 MET QB 5.000 . 5.500 2.493 2.008 2.851 . 0 0 "[ . 1 . 2 ]" 2
251 1 14 PHE QE 1 61 ILE HB 6.000 . 6.500 4.114 3.523 4.764 . 0 0 "[ . 1 . 2 ]" 2
252 1 27 ALA MB 1 30 LEU QD 6.000 . 6.500 3.914 3.458 4.485 . 0 0 "[ . 1 . 2 ]" 2
253 1 14 PHE QE 1 63 TYR QD 6.000 . 6.500 3.934 2.911 4.353 . 0 0 "[ . 1 . 2 ]" 2
254 1 24 LEU QD 1 61 ILE MG 6.000 . 6.500 3.863 3.513 4.268 . 0 0 "[ . 1 . 2 ]" 2
255 1 7 GLU QG 1 67 VAL QG 6.000 . 6.500 3.231 2.502 4.230 . 0 0 "[ . 1 . 2 ]" 2
256 1 47 ASP QB 1 51 ARG QB 6.000 . 6.500 4.026 3.681 4.412 . 0 0 "[ . 1 . 2 ]" 2
257 1 66 PHE QD 1 67 VAL HB 6.000 . 6.500 3.616 2.781 4.797 . 0 0 "[ . 1 . 2 ]" 2
258 1 14 PHE HZ 1 63 TYR HA 6.000 . 6.500 3.669 3.171 4.147 . 0 0 "[ . 1 . 2 ]" 2
259 1 10 LEU HA 1 66 PHE QE 6.000 . 6.500 2.665 1.997 3.564 . 0 0 "[ . 1 . 2 ]" 2
260 1 30 LEU QB 1 46 VAL QG 5.000 . 5.500 1.879 1.711 2.310 . 0 0 "[ . 1 . 2 ]" 2
261 1 45 GLU HA 1 46 VAL QG 6.000 . 6.500 4.215 3.998 4.362 . 0 0 "[ . 1 . 2 ]" 2
262 1 16 VAL HA 1 17 PHE H 6.000 . 6.500 3.492 3.453 3.535 . 0 0 "[ . 1 . 2 ]" 2
263 1 62 ASN QB 1 64 GLU QB 6.000 . 6.500 3.170 2.834 3.943 . 0 0 "[ . 1 . 2 ]" 2
264 1 46 VAL QG 1 50 ILE MD 6.000 . 6.500 2.357 1.830 3.046 . 0 0 "[ . 1 . 2 ]" 2
265 1 49 MET QB 1 69 MET ME 6.000 . 6.500 3.344 2.520 4.652 . 0 0 "[ . 1 . 2 ]" 2
266 1 31 ARG QB 1 32 HIS HA 5.000 . 5.500 3.876 3.707 4.107 . 0 0 "[ . 1 . 2 ]" 2
267 1 5 ASP QB 1 10 LEU QD 6.000 . 6.500 4.781 4.169 5.242 . 0 0 "[ . 1 . 2 ]" 2
268 1 62 ASN QB 1 65 GLU HA 5.000 . 5.500 3.581 2.391 4.450 . 0 0 "[ . 1 . 2 ]" 2
269 1 18 ASP HA 1 21 GLY QA 6.000 . 6.500 3.697 3.571 3.760 . 0 0 "[ . 1 . 2 ]" 2
270 1 65 GLU HA 1 67 VAL QG 6.000 . 6.500 4.142 3.576 4.388 . 0 0 "[ . 1 . 2 ]" 2
271 1 45 GLU HA 1 46 VAL HA 5.000 . 5.500 4.389 4.253 4.446 . 0 0 "[ . 1 . 2 ]" 2
272 1 19 ARG QB 1 33 VAL QG 6.000 . 6.500 3.417 2.102 4.868 . 0 0 "[ . 1 . 2 ]" 2
273 1 14 PHE HA 1 63 TYR QD 6.000 . 6.500 2.904 2.271 3.650 . 0 0 "[ . 1 . 2 ]" 2
274 1 63 TYR HA 1 67 VAL QG 6.000 . 6.500 2.968 2.787 3.825 . 0 0 "[ . 1 . 2 ]" 2
275 1 26 SER QB 1 60 HIS HA 6.000 . 6.500 3.708 3.478 3.839 . 0 0 "[ . 1 . 2 ]" 2
276 1 49 MET QB 1 53 ALA MB 6.000 . 6.500 4.081 2.766 4.617 . 0 0 "[ . 1 . 2 ]" 2
277 1 34 MET QB 1 41 LEU QD 6.000 . 6.500 2.129 1.819 2.660 . 0 0 "[ . 1 . 2 ]" 2
278 1 13 ALA MB 1 14 PHE QB 6.000 . 6.500 3.894 3.728 4.033 . 0 0 "[ . 1 . 2 ]" 2
279 1 46 VAL QG 1 50 ILE MG 6.000 . 6.500 2.272 1.847 2.898 . 0 0 "[ . 1 . 2 ]" 2
280 1 66 PHE QB 1 67 VAL QG 6.000 . 6.500 2.717 2.195 2.929 . 0 0 "[ . 1 . 2 ]" 2
281 1 15 LYS HA 1 18 ASP QB 5.000 . 5.500 2.665 1.933 3.165 . 0 0 "[ . 1 . 2 ]" 2
282 1 30 LEU QD 1 34 MET ME 6.000 . 6.500 2.795 2.098 3.774 . 0 0 "[ . 1 . 2 ]" 2
283 1 66 PHE HA 1 68 ARG QB 6.000 . 6.500 3.728 3.107 4.378 . 0 0 "[ . 1 . 2 ]" 2
284 1 61 ILE MD 1 68 ARG QB 6.000 . 6.500 4.200 3.158 4.615 . 0 0 "[ . 1 . 2 ]" 2
285 1 67 VAL QG 1 70 MET HA 6.000 . 6.500 5.122 4.611 5.619 . 0 0 "[ . 1 . 2 ]" 2
286 1 11 ILE HA 1 15 LYS QE 5.000 . 5.500 3.983 3.315 4.373 . 0 0 "[ . 1 . 2 ]" 2
287 1 25 ILE MG 1 27 ALA MB 6.000 . 6.500 4.976 4.793 5.113 . 0 0 "[ . 1 . 2 ]" 2
288 1 25 ILE MG 1 30 LEU QB 5.000 . 5.500 2.111 1.853 2.337 . 0 0 "[ . 1 . 2 ]" 2
289 1 11 ILE QG 1 12 GLU HA 6.000 . 6.500 3.393 3.278 3.573 . 0 0 "[ . 1 . 2 ]" 2
290 1 30 LEU QB 1 46 VAL HB 6.000 . 6.500 3.699 2.630 4.255 . 0 0 "[ . 1 . 2 ]" 2
291 1 24 LEU HG 1 62 ASN HA 6.000 . 6.500 3.816 2.756 4.995 . 0 0 "[ . 1 . 2 ]" 2
292 1 10 LEU QD 1 63 TYR QD 6.000 . 6.500 3.884 3.380 4.179 . 0 0 "[ . 1 . 2 ]" 2
293 1 33 VAL QG 1 34 MET ME 6.000 . 6.500 3.428 2.884 3.941 . 0 0 "[ . 1 . 2 ]" 2
294 1 27 ALA HA 1 30 LEU QB 5.000 . 5.500 2.489 1.994 3.104 . 0 0 "[ . 1 . 2 ]" 2
295 1 14 PHE QE 1 61 ILE MG 6.000 . 6.500 3.209 2.486 4.072 . 0 0 "[ . 1 . 2 ]" 2
296 1 10 LEU QD 1 66 PHE QE 6.000 . 6.500 2.703 1.899 3.394 . 0 0 "[ . 1 . 2 ]" 2
297 1 8 GLU QB 1 11 ILE MG 5.000 . 5.500 2.955 2.690 4.528 . 0 0 "[ . 1 . 2 ]" 2
298 1 30 LEU QB 1 46 VAL HA 5.000 . 5.500 3.434 3.228 3.589 . 0 0 "[ . 1 . 2 ]" 2
299 1 41 LEU QD 1 49 MET ME 6.000 . 6.500 2.089 1.704 3.260 . 0 0 "[ . 1 . 2 ]" 2
300 1 14 PHE QE 1 25 ILE MD 6.000 . 6.500 2.468 1.970 3.351 . 0 0 "[ . 1 . 2 ]" 2
301 1 11 ILE QG 1 14 PHE QB 6.000 . 6.500 3.464 3.135 3.719 . 0 0 "[ . 1 . 2 ]" 2
302 1 14 PHE HZ 1 24 LEU QD 6.000 . 6.500 2.859 2.090 3.622 . 0 0 "[ . 1 . 2 ]" 2
303 1 7 GLU QB 1 11 ILE MD 5.000 . 5.500 4.330 3.121 4.582 . 0 0 "[ . 1 . 2 ]" 2
304 1 31 ARG QG 1 32 HIS HA 5.000 . 5.500 3.685 3.337 4.133 . 0 0 "[ . 1 . 2 ]" 2
305 1 50 ILE MD 1 53 ALA MB 6.000 . 6.500 3.465 3.169 3.929 . 0 0 "[ . 1 . 2 ]" 2
306 1 41 LEU QB 1 45 GLU QG 6.000 . 6.500 3.704 2.642 4.235 . 0 0 "[ . 1 . 2 ]" 2
307 1 25 ILE HB 1 61 ILE MD 6.000 . 6.500 2.991 2.193 4.244 . 0 0 "[ . 1 . 2 ]" 2
308 1 26 SER QB 1 27 ALA MB 6.000 . 6.500 2.769 2.492 3.067 . 0 0 "[ . 1 . 2 ]" 2
309 1 16 VAL QG 1 17 PHE QD 6.000 . 6.500 3.085 1.916 3.996 . 0 0 "[ . 1 . 2 ]" 2
310 1 10 LEU QD 1 67 VAL HA 5.000 . 5.500 2.479 1.870 3.189 . 0 0 "[ . 1 . 2 ]" 2
311 1 35 THR HA 1 41 LEU QD 5.000 . 5.500 4.030 3.755 4.291 . 0 0 "[ . 1 . 2 ]" 2
312 1 53 ALA HA 1 65 GLU QG 5.000 . 5.500 3.740 2.577 4.664 . 0 0 "[ . 1 . 2 ]" 2
313 1 13 ALA MB 1 66 PHE QD 6.000 . 6.500 3.061 2.611 3.453 . 0 0 "[ . 1 . 2 ]" 2
314 1 7 GLU QG 1 11 ILE MD 5.000 . 5.500 4.445 3.375 5.096 . 0 0 "[ . 1 . 2 ]" 2
315 1 70 MET HA 2 10 ILE MG 6.000 . 6.500 4.241 3.328 5.069 . 0 0 "[ . 1 . 2 ]" 2
316 1 16 VAL QG 1 17 PHE H 6.000 . 6.500 2.744 1.912 3.372 . 0 0 "[ . 1 . 2 ]" 2
317 1 32 HIS HD2 1 33 VAL QG 6.000 . 6.500 4.420 2.023 5.196 . 0 0 "[ . 1 . 2 ]" 2
318 1 69 MET ME 1 70 MET QB 6.000 . 6.500 5.037 4.085 5.433 . 0 0 "[ . 1 . 2 ]" 2
stop_
save_
save_distance_constraint_statistics_3
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 3
_Distance_constraint_stats_list.Constraint_count 512
_Distance_constraint_stats_list.Viol_count 62
_Distance_constraint_stats_list.Viol_total 10.615
_Distance_constraint_stats_list.Viol_max 0.062
_Distance_constraint_stats_list.Viol_rms 0.0011
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0000
_Distance_constraint_stats_list.Viol_average_violations_only 0.0082
_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 LYS 0.074 0.054 3 0 "[ . 1 . 2 ]"
1 3 GLU 0.102 0.054 3 0 "[ . 1 . 2 ]"
1 4 GLN 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 5 ASP 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 6 SER 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 7 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 8 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 9 GLU 0.200 0.062 17 0 "[ . 1 . 2 ]"
1 10 LEU 0.028 0.012 15 0 "[ . 1 . 2 ]"
1 11 ILE 0.200 0.062 17 0 "[ . 1 . 2 ]"
1 12 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 13 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 14 PHE 0.000 0.000 1 0 "[ . 1 . 2 ]"
1 15 LYS 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 16 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 17 PHE 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 18 ASP 0.005 0.005 15 0 "[ . 1 . 2 ]"
1 19 ARG 0.009 0.009 19 0 "[ . 1 . 2 ]"
1 20 ASP 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 21 GLY 0.039 0.020 16 0 "[ . 1 . 2 ]"
1 22 ASN 0.061 0.020 16 0 "[ . 1 . 2 ]"
1 23 GLY 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 24 LEU 0.031 0.010 16 0 "[ . 1 . 2 ]"
1 25 ILE 0.014 0.009 19 0 "[ . 1 . 2 ]"
1 26 SER 0.001 0.001 14 0 "[ . 1 . 2 ]"
1 27 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 28 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 29 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 30 LEU 0.003 0.003 19 0 "[ . 1 . 2 ]"
1 31 ARG 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 32 HIS 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 33 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 34 MET 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 35 THR 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 36 ASN 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 37 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 38 GLY 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 39 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 40 LYS 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 41 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 42 THR 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 43 ASP 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 44 ASP 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 45 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 46 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 47 ASP 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 48 GLU 0.016 0.004 17 0 "[ . 1 . 2 ]"
1 49 MET 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 50 ILE 0.016 0.004 17 0 "[ . 1 . 2 ]"
1 51 ARG 0.003 0.003 19 0 "[ . 1 . 2 ]"
1 52 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 53 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 54 ASP 0.002 0.002 5 0 "[ . 1 . 2 ]"
1 55 ILE 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 56 ASP 0.077 0.050 21 0 "[ . 1 . 2 ]"
1 57 GLY 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 58 ASP 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 59 GLY 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 60 HIS 0.078 0.050 21 0 "[ . 1 . 2 ]"
1 61 ILE 0.006 0.004 18 0 "[ . 1 . 2 ]"
1 62 ASN 0.019 0.007 16 0 "[ . 1 . 2 ]"
1 63 TYR 0.000 0.000 1 0 "[ . 1 . 2 ]"
1 64 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 65 GLU 0.004 0.003 9 0 "[ . 1 . 2 ]"
1 66 PHE 0.001 0.001 16 0 "[ . 1 . 2 ]"
1 67 VAL 0.001 0.001 16 0 "[ . 1 . 2 ]"
1 68 ARG 0.003 0.003 6 0 "[ . 1 . 2 ]"
1 69 MET 0.002 0.002 5 0 "[ . 1 . 2 ]"
1 70 MET 0.003 0.003 6 0 "[ . 1 . 2 ]"
1 71 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 72 SER 0.007 0.003 8 0 "[ . 1 . 2 ]"
1 73 LYS 0.007 0.003 8 0 "[ . 1 . 2 ]"
2 8 SER 0.000 0.000 . 0 "[ . 1 . 2 ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 2 LYS HA 1 3 GLU H 3.000 . 3.500 2.586 2.138 3.554 0.054 3 0 "[ . 1 . 2 ]" 3
2 1 2 LYS QB 1 3 GLU H 5.000 . 5.500 3.020 1.934 3.951 . 0 0 "[ . 1 . 2 ]" 3
3 1 2 LYS QB 1 4 GLN H 6.000 . 6.500 4.228 2.625 5.599 . 0 0 "[ . 1 . 2 ]" 3
4 1 2 LYS QB 1 6 SER H 6.000 . 6.500 4.297 2.647 5.984 . 0 0 "[ . 1 . 2 ]" 3
5 1 2 LYS QG 1 3 GLU H 5.000 . 5.500 3.398 1.971 4.508 . 0 0 "[ . 1 . 2 ]" 3
6 1 2 LYS QG 1 4 GLN H 6.000 . 6.500 4.380 2.125 6.215 . 0 0 "[ . 1 . 2 ]" 3
7 1 3 GLU HA 1 4 GLN H 4.000 . 4.500 3.528 3.123 3.577 . 0 0 "[ . 1 . 2 ]" 3
8 1 3 GLU HA 1 6 SER H 5.000 . 5.500 3.756 3.337 4.211 . 0 0 "[ . 1 . 2 ]" 3
9 1 3 GLU H 1 4 GLN H 6.000 . 6.500 2.467 1.980 3.817 . 0 0 "[ . 1 . 2 ]" 3
10 1 3 GLU H 1 10 LEU QD 6.000 . 6.500 5.601 4.657 6.512 0.012 15 0 "[ . 1 . 2 ]" 3
11 1 3 GLU QB 1 4 GLN QE 6.000 . 6.500 5.067 3.468 6.444 . 0 0 "[ . 1 . 2 ]" 3
12 1 4 GLN H 1 4 GLN QB 3.000 . 3.500 2.472 2.148 2.746 . 0 0 "[ . 1 . 2 ]" 3
13 1 4 GLN QB 1 5 ASP H 5.000 . 5.500 3.218 2.583 3.623 . 0 0 "[ . 1 . 2 ]" 3
14 1 4 GLN QB 1 6 SER H 6.000 . 6.500 4.632 4.330 4.948 . 0 0 "[ . 1 . 2 ]" 3
15 1 4 GLN QG 1 5 ASP H 5.000 . 5.500 2.993 1.941 4.486 . 0 0 "[ . 1 . 2 ]" 3
16 1 4 GLN QE 1 5 ASP QB 6.000 . 6.500 5.406 3.070 6.452 . 0 0 "[ . 1 . 2 ]" 3
17 1 5 ASP HA 1 6 SER H 4.000 . 4.500 3.366 3.273 3.477 . 0 0 "[ . 1 . 2 ]" 3
18 1 5 ASP H 1 7 GLU H 6.000 . 6.500 4.329 4.023 4.512 . 0 0 "[ . 1 . 2 ]" 3
19 1 5 ASP QB 1 6 SER H 5.000 . 5.500 3.202 2.862 3.404 . 0 0 "[ . 1 . 2 ]" 3
20 1 5 ASP QB 1 7 GLU H 6.000 . 6.500 4.471 4.421 4.555 . 0 0 "[ . 1 . 2 ]" 3
21 1 5 ASP QB 1 8 GLU H 6.000 . 6.500 5.469 4.841 6.121 . 0 0 "[ . 1 . 2 ]" 3
22 1 6 SER HA 1 7 GLU H 4.000 . 4.500 3.213 3.161 3.404 . 0 0 "[ . 1 . 2 ]" 3
23 1 6 SER HA 1 8 GLU H 5.000 . 5.500 3.839 3.296 4.769 . 0 0 "[ . 1 . 2 ]" 3
24 1 6 SER HA 1 9 GLU H 6.000 . 6.500 3.321 3.151 3.656 . 0 0 "[ . 1 . 2 ]" 3
25 1 6 SER H 1 7 GLU H 5.000 . 5.500 2.615 2.421 2.707 . 0 0 "[ . 1 . 2 ]" 3
26 1 6 SER H 1 9 GLU H 6.000 . 6.500 5.217 4.735 5.536 . 0 0 "[ . 1 . 2 ]" 3
27 1 6 SER H 1 9 GLU QB 6.000 . 6.500 5.116 4.429 5.632 . 0 0 "[ . 1 . 2 ]" 3
28 1 6 SER QB 1 7 GLU H 5.000 . 5.500 3.600 3.163 3.919 . 0 0 "[ . 1 . 2 ]" 3
29 1 7 GLU HA 1 8 GLU H 4.000 . 4.500 3.517 3.458 3.576 . 0 0 "[ . 1 . 2 ]" 3
30 1 7 GLU H 1 8 GLU H 4.000 . 4.500 2.656 2.196 3.110 . 0 0 "[ . 1 . 2 ]" 3
31 1 7 GLU H 1 9 GLU H 6.000 . 6.500 3.911 3.254 4.348 . 0 0 "[ . 1 . 2 ]" 3
32 1 7 GLU H 1 10 LEU QD 5.000 . 5.500 4.079 3.553 4.474 . 0 0 "[ . 1 . 2 ]" 3
33 1 7 GLU H 1 7 GLU QB 3.000 . 3.500 2.249 2.057 2.688 . 0 0 "[ . 1 . 2 ]" 3
34 1 8 GLU HA 1 9 GLU H 4.000 . 4.500 3.481 3.437 3.517 . 0 0 "[ . 1 . 2 ]" 3
35 1 8 GLU H 1 9 GLU H 4.000 . 4.500 2.409 2.183 2.786 . 0 0 "[ . 1 . 2 ]" 3
36 1 8 GLU H 1 11 ILE MD 6.000 . 6.500 5.762 3.785 6.017 . 0 0 "[ . 1 . 2 ]" 3
37 1 9 GLU HA 1 12 GLU H 5.000 . 5.500 3.589 3.217 3.993 . 0 0 "[ . 1 . 2 ]" 3
38 1 9 GLU H 1 10 LEU H 4.000 . 4.500 2.425 2.240 2.561 . 0 0 "[ . 1 . 2 ]" 3
39 1 9 GLU H 1 10 LEU QB 6.000 . 6.500 4.495 4.276 4.620 . 0 0 "[ . 1 . 2 ]" 3
40 1 9 GLU H 1 11 ILE HA 6.000 . 6.500 6.501 6.348 6.562 0.062 17 0 "[ . 1 . 2 ]" 3
41 1 9 GLU H 1 9 GLU QB 3.000 . 3.500 2.186 2.132 2.322 . 0 0 "[ . 1 . 2 ]" 3
42 1 10 LEU H 1 10 LEU HG 4.000 . 4.500 2.145 1.956 2.355 . 0 0 "[ . 1 . 2 ]" 3
43 1 10 LEU QB 1 11 ILE H 5.000 . 5.500 2.699 2.547 2.907 . 0 0 "[ . 1 . 2 ]" 3
44 1 11 ILE HA 1 12 GLU H 6.000 . 6.500 3.518 3.488 3.547 . 0 0 "[ . 1 . 2 ]" 3
45 1 11 ILE H 1 11 ILE HB 4.000 . 4.500 2.527 2.496 2.605 . 0 0 "[ . 1 . 2 ]" 3
46 1 11 ILE H 1 12 GLU HA 6.000 . 6.500 5.290 5.105 5.365 . 0 0 "[ . 1 . 2 ]" 3
47 1 11 ILE H 1 12 GLU H 5.000 . 5.500 2.687 2.464 2.776 . 0 0 "[ . 1 . 2 ]" 3
48 1 11 ILE H 1 63 TYR QE 6.000 . 6.500 3.493 2.607 3.959 . 0 0 "[ . 1 . 2 ]" 3
49 1 11 ILE H 1 11 ILE MD 5.000 . 5.500 4.293 3.064 4.385 . 0 0 "[ . 1 . 2 ]" 3
50 1 11 ILE MD 1 12 GLU H 6.000 . 6.500 4.700 4.133 4.901 . 0 0 "[ . 1 . 2 ]" 3
51 1 12 GLU HA 1 13 ALA H 5.000 . 5.500 3.512 3.490 3.552 . 0 0 "[ . 1 . 2 ]" 3
52 1 12 GLU HA 1 15 LYS H 6.000 . 6.500 3.620 3.428 3.861 . 0 0 "[ . 1 . 2 ]" 3
53 1 12 GLU H 1 13 ALA H 4.000 . 4.500 2.565 2.466 2.687 . 0 0 "[ . 1 . 2 ]" 3
54 1 13 ALA H 1 14 PHE QB 5.000 . 5.500 4.270 4.137 4.396 . 0 0 "[ . 1 . 2 ]" 3
55 1 13 ALA H 1 16 VAL H 6.000 . 6.500 5.005 4.832 5.196 . 0 0 "[ . 1 . 2 ]" 3
56 1 13 ALA H 1 63 TYR QE 6.000 . 6.500 5.817 4.895 6.277 . 0 0 "[ . 1 . 2 ]" 3
57 1 13 ALA H 1 66 PHE QE 5.000 . 5.500 4.979 4.272 5.499 . 0 0 "[ . 1 . 2 ]" 3
58 1 13 ALA H 1 13 ALA MB 3.000 . 3.500 2.164 2.090 2.260 . 0 0 "[ . 1 . 2 ]" 3
59 1 13 ALA MB 1 14 PHE H 5.000 . 5.500 2.780 2.647 2.871 . 0 0 "[ . 1 . 2 ]" 3
60 1 14 PHE H 1 15 LYS H 6.000 . 6.500 2.645 2.470 2.847 . 0 0 "[ . 1 . 2 ]" 3
61 1 14 PHE H 1 16 VAL H 6.000 . 6.500 4.225 3.916 4.480 . 0 0 "[ . 1 . 2 ]" 3
62 1 14 PHE H 1 66 PHE QE 6.000 . 6.500 4.489 3.480 5.122 . 0 0 "[ . 1 . 2 ]" 3
63 1 14 PHE QB 1 15 LYS H 6.000 . 6.500 2.651 2.246 2.816 . 0 0 "[ . 1 . 2 ]" 3
64 1 14 PHE QB 1 63 TYR H 6.000 . 6.500 6.040 5.433 6.500 . 1 0 "[ . 1 . 2 ]" 3
65 1 14 PHE QD 1 63 TYR H 6.000 . 6.500 4.890 3.946 5.385 . 0 0 "[ . 1 . 2 ]" 3
66 1 14 PHE QD 1 66 PHE H 6.000 . 6.500 5.159 4.549 5.772 . 0 0 "[ . 1 . 2 ]" 3
67 1 14 PHE QE 1 24 LEU H 6.000 . 6.500 4.808 3.631 5.546 . 0 0 "[ . 1 . 2 ]" 3
68 1 14 PHE QE 1 25 ILE H 6.000 . 6.500 4.257 3.467 4.892 . 0 0 "[ . 1 . 2 ]" 3
69 1 14 PHE QE 1 63 TYR H 5.000 . 5.500 3.424 2.184 3.992 . 0 0 "[ . 1 . 2 ]" 3
70 1 14 PHE QE 1 64 GLU H 6.000 . 6.500 5.265 4.654 5.996 . 0 0 "[ . 1 . 2 ]" 3
71 1 14 PHE QE 1 66 PHE H 6.000 . 6.500 4.325 3.263 5.701 . 0 0 "[ . 1 . 2 ]" 3
72 1 15 LYS HA 1 16 VAL H 5.000 . 5.500 3.537 3.483 3.566 . 0 0 "[ . 1 . 2 ]" 3
73 1 15 LYS HA 1 18 ASP H 5.000 . 5.500 3.707 3.350 4.189 . 0 0 "[ . 1 . 2 ]" 3
74 1 15 LYS H 1 16 VAL H 4.000 . 4.500 2.621 2.431 2.825 . 0 0 "[ . 1 . 2 ]" 3
75 1 15 LYS H 1 15 LYS QD 5.000 . 5.500 2.967 1.961 4.322 . 0 0 "[ . 1 . 2 ]" 3
76 1 15 LYS QD 1 16 VAL H 5.000 . 5.500 4.560 4.166 5.170 . 0 0 "[ . 1 . 2 ]" 3
77 1 16 VAL HA 1 17 PHE H 6.000 . 6.500 3.513 3.469 3.554 . 0 0 "[ . 1 . 2 ]" 3
78 1 16 VAL HB 1 17 PHE H 6.000 . 6.500 3.204 2.454 4.105 . 0 0 "[ . 1 . 2 ]" 3
79 1 16 VAL H 1 17 PHE HA 6.000 . 6.500 5.194 5.050 5.340 . 0 0 "[ . 1 . 2 ]" 3
80 1 16 VAL H 1 17 PHE H 4.000 . 4.500 2.578 2.377 2.754 . 0 0 "[ . 1 . 2 ]" 3
81 1 16 VAL H 1 33 VAL QG 6.000 . 6.500 5.854 5.245 6.438 . 0 0 "[ . 1 . 2 ]" 3
82 1 16 VAL H 1 16 VAL QG 3.000 . 3.500 2.047 1.839 2.258 . 0 0 "[ . 1 . 2 ]" 3
83 1 17 PHE HA 1 18 ASP H 6.000 . 6.500 3.539 3.490 3.570 . 0 0 "[ . 1 . 2 ]" 3
84 1 17 PHE H 1 18 ASP H 5.000 . 5.500 2.652 2.396 3.049 . 0 0 "[ . 1 . 2 ]" 3
85 1 17 PHE QB 1 18 ASP H 6.000 . 6.500 2.640 2.208 2.852 . 0 0 "[ . 1 . 2 ]" 3
86 1 18 ASP HA 1 19 ARG H 5.000 . 5.500 2.272 2.227 2.374 . 0 0 "[ . 1 . 2 ]" 3
87 1 18 ASP HA 1 24 LEU H 6.000 . 6.500 5.820 4.509 6.441 . 0 0 "[ . 1 . 2 ]" 3
88 1 18 ASP HA 1 25 ILE H 6.000 . 6.500 6.033 5.430 6.505 0.005 15 0 "[ . 1 . 2 ]" 3
89 1 18 ASP H 1 19 ARG H 6.000 . 6.500 4.068 3.778 4.188 . 0 0 "[ . 1 . 2 ]" 3
90 1 18 ASP H 1 25 ILE MD 6.000 . 6.500 3.862 3.321 4.634 . 0 0 "[ . 1 . 2 ]" 3
91 1 18 ASP H 1 25 ILE QG 6.000 . 6.500 3.709 2.780 4.074 . 0 0 "[ . 1 . 2 ]" 3
92 1 18 ASP QB 1 19 ARG H 6.000 . 6.500 3.911 3.722 3.986 . 0 0 "[ . 1 . 2 ]" 3
93 1 18 ASP QB 1 20 ASP H 6.000 . 6.500 4.185 3.710 4.610 . 0 0 "[ . 1 . 2 ]" 3
94 1 18 ASP QB 1 21 GLY H 5.000 . 5.500 2.880 2.382 3.217 . 0 0 "[ . 1 . 2 ]" 3
95 1 18 ASP QB 1 22 ASN H 6.000 . 6.500 3.601 2.512 4.063 . 0 0 "[ . 1 . 2 ]" 3
96 1 18 ASP QB 1 23 GLY H 6.000 . 6.500 3.438 2.483 3.914 . 0 0 "[ . 1 . 2 ]" 3
97 1 19 ARG H 1 20 ASP H 5.000 . 5.500 2.566 2.429 2.743 . 0 0 "[ . 1 . 2 ]" 3
98 1 19 ARG H 1 21 GLY H 5.000 . 5.500 3.942 3.615 4.189 . 0 0 "[ . 1 . 2 ]" 3
99 1 19 ARG H 1 25 ILE HA 6.000 . 6.500 5.589 4.745 6.509 0.009 19 0 "[ . 1 . 2 ]" 3
100 1 19 ARG QB 1 20 ASP H 5.000 . 5.500 2.845 2.377 3.550 . 0 0 "[ . 1 . 2 ]" 3
101 1 19 ARG QB 1 21 GLY H 6.000 . 6.500 4.533 4.258 4.908 . 0 0 "[ . 1 . 2 ]" 3
102 1 20 ASP H 1 21 GLY H 4.000 . 4.500 2.509 2.220 2.582 . 0 0 "[ . 1 . 2 ]" 3
103 1 20 ASP H 1 22 ASN H 5.000 . 5.500 4.239 3.992 4.687 . 0 0 "[ . 1 . 2 ]" 3
104 1 20 ASP H 1 29 GLU QB 6.000 . 6.500 4.782 3.949 5.443 . 0 0 "[ . 1 . 2 ]" 3
105 1 20 ASP QB 1 21 GLY H 5.000 . 5.500 3.241 3.024 3.711 . 0 0 "[ . 1 . 2 ]" 3
106 1 20 ASP QB 1 22 ASN H 6.000 . 6.500 3.230 2.691 4.362 . 0 0 "[ . 1 . 2 ]" 3
107 1 21 GLY H 1 22 ASN H 4.000 . 4.500 2.664 2.396 2.899 . 0 0 "[ . 1 . 2 ]" 3
108 1 21 GLY H 1 22 ASN QD 6.000 . 6.500 5.599 4.560 6.520 0.020 16 0 "[ . 1 . 2 ]" 3
109 1 21 GLY H 1 23 GLY H 6.000 . 6.500 4.148 3.925 4.635 . 0 0 "[ . 1 . 2 ]" 3
110 1 21 GLY QA 1 22 ASN H 3.000 . 3.500 2.741 2.517 2.815 . 0 0 "[ . 1 . 2 ]" 3
111 1 21 GLY QA 1 23 GLY H 5.000 . 5.500 3.463 3.034 3.658 . 0 0 "[ . 1 . 2 ]" 3
112 1 21 GLY QA 1 24 LEU H 6.000 . 6.500 5.583 4.762 5.974 . 0 0 "[ . 1 . 2 ]" 3
113 1 22 ASN HA 1 23 GLY H 5.000 . 5.500 3.434 3.211 3.455 . 0 0 "[ . 1 . 2 ]" 3
114 1 22 ASN H 1 23 GLY H 3.000 . 3.500 2.147 2.000 2.424 . 0 0 "[ . 1 . 2 ]" 3
115 1 22 ASN H 1 23 GLY QA 5.000 . 5.500 4.162 4.014 4.390 . 0 0 "[ . 1 . 2 ]" 3
116 1 22 ASN H 1 24 LEU H 5.000 . 5.500 3.764 3.413 4.300 . 0 0 "[ . 1 . 2 ]" 3
117 1 22 ASN QB 1 23 GLY H 6.000 . 6.500 3.549 2.962 3.767 . 0 0 "[ . 1 . 2 ]" 3
118 1 22 ASN QB 1 24 LEU H 6.000 . 6.500 3.506 2.437 4.308 . 0 0 "[ . 1 . 2 ]" 3
119 1 22 ASN QD 1 23 GLY H 6.000 . 6.500 4.391 3.707 5.500 . 0 0 "[ . 1 . 2 ]" 3
120 1 22 ASN HD21 1 24 LEU H 6.000 . 6.500 4.147 1.985 5.122 . 0 0 "[ . 1 . 2 ]" 3
121 1 22 ASN HD22 1 24 LEU H 6.000 . 6.500 3.703 2.601 6.116 . 0 0 "[ . 1 . 2 ]" 3
122 1 22 ASN HD21 1 24 LEU QB 6.000 . 6.500 3.884 2.191 6.510 0.010 16 0 "[ . 1 . 2 ]" 3
123 1 22 ASN HD22 1 24 LEU QB 6.000 . 6.500 3.248 1.968 6.506 0.006 11 0 "[ . 1 . 2 ]" 3
124 1 22 ASN HD21 1 24 LEU QD 5.000 . 5.500 3.844 2.550 5.503 0.003 15 0 "[ . 1 . 2 ]" 3
125 1 22 ASN HD22 1 24 LEU QD 5.000 . 5.500 3.843 2.607 5.503 0.003 11 0 "[ . 1 . 2 ]" 3
126 1 23 GLY H 1 24 LEU H 4.000 . 4.500 2.504 2.025 2.922 . 0 0 "[ . 1 . 2 ]" 3
127 1 23 GLY H 1 24 LEU QB 6.000 . 6.500 4.784 4.243 5.581 . 0 0 "[ . 1 . 2 ]" 3
128 1 23 GLY H 1 24 LEU QD 6.000 . 6.500 4.607 3.954 5.239 . 0 0 "[ . 1 . 2 ]" 3
129 1 23 GLY QA 1 24 LEU H 5.000 . 5.500 2.838 2.795 2.914 . 0 0 "[ . 1 . 2 ]" 3
130 1 24 LEU HA 1 25 ILE H 4.000 . 4.500 2.220 2.158 2.591 . 0 0 "[ . 1 . 2 ]" 3
131 1 24 LEU HA 1 63 TYR H 6.000 . 6.500 5.403 4.653 6.077 . 0 0 "[ . 1 . 2 ]" 3
132 1 24 LEU H 1 25 ILE HA 5.000 . 5.500 4.864 4.512 5.070 . 0 0 "[ . 1 . 2 ]" 3
133 1 24 LEU H 1 25 ILE H 5.000 . 5.500 4.386 4.117 4.527 . 0 0 "[ . 1 . 2 ]" 3
134 1 24 LEU H 1 62 ASN HA 6.000 . 6.500 5.908 5.279 6.453 . 0 0 "[ . 1 . 2 ]" 3
135 1 24 LEU H 1 62 ASN QD 6.000 . 6.500 5.970 4.594 6.507 0.007 16 0 "[ . 1 . 2 ]" 3
136 1 24 LEU QB 1 25 ILE H 5.000 . 5.500 2.949 2.021 3.280 . 0 0 "[ . 1 . 2 ]" 3
137 1 24 LEU H 1 24 LEU MD1 5.000 . 5.500 3.162 2.027 4.656 . 0 0 "[ . 1 . 2 ]" 3
138 1 24 LEU H 1 24 LEU MD2 5.000 . 5.500 4.248 2.856 4.839 . 0 0 "[ . 1 . 2 ]" 3
139 1 24 LEU QD 1 58 ASP H 6.000 . 6.500 5.963 5.351 6.500 . 0 0 "[ . 1 . 2 ]" 3
140 1 24 LEU QD 1 60 HIS H 6.000 . 6.500 4.344 3.701 4.986 . 0 0 "[ . 1 . 2 ]" 3
141 1 24 LEU QD 1 62 ASN H 6.000 . 6.500 4.266 2.969 4.969 . 0 0 "[ . 1 . 2 ]" 3
142 1 24 LEU QD 1 62 ASN QD 6.000 . 6.500 2.868 1.882 3.916 . 0 0 "[ . 1 . 2 ]" 3
143 1 24 LEU QD 1 63 TYR H 6.000 . 6.500 5.013 3.669 5.833 . 0 0 "[ . 1 . 2 ]" 3
144 1 25 ILE H 1 60 HIS HA 6.000 . 6.500 4.370 3.638 5.582 . 0 0 "[ . 1 . 2 ]" 3
145 1 25 ILE H 1 60 HIS QB 5.000 . 5.500 3.178 2.154 4.823 . 0 0 "[ . 1 . 2 ]" 3
146 1 25 ILE H 1 62 ASN HA 5.000 . 5.500 4.106 3.819 4.398 . 0 0 "[ . 1 . 2 ]" 3
147 1 25 ILE H 1 25 ILE MD 5.000 . 5.500 3.454 2.236 3.981 . 0 0 "[ . 1 . 2 ]" 3
148 1 25 ILE MD 1 61 ILE H 6.000 . 6.500 4.466 3.918 5.173 . 0 0 "[ . 1 . 2 ]" 3
149 1 25 ILE H 1 25 ILE QG 4.000 . 4.500 2.411 1.989 2.639 . 0 0 "[ . 1 . 2 ]" 3
150 1 25 ILE MG 1 29 GLU H 5.000 . 5.500 3.980 3.378 4.435 . 0 0 "[ . 1 . 2 ]" 3
151 1 25 ILE MG 1 30 LEU H 5.000 . 5.500 3.026 2.172 3.654 . 0 0 "[ . 1 . 2 ]" 3
152 1 26 SER HA 1 27 ALA H 3.000 . 3.500 2.606 2.451 2.784 . 0 0 "[ . 1 . 2 ]" 3
153 1 26 SER HA 1 28 ALA H 5.000 . 5.500 4.535 4.272 4.859 . 0 0 "[ . 1 . 2 ]" 3
154 1 26 SER HA 1 29 GLU H 5.000 . 5.500 4.662 4.435 4.847 . 0 0 "[ . 1 . 2 ]" 3
155 1 26 SER HA 1 60 HIS H 5.000 . 5.500 5.387 5.095 5.501 0.001 14 0 "[ . 1 . 2 ]" 3
156 1 26 SER H 1 29 GLU H 5.000 . 5.500 3.603 3.355 3.960 . 0 0 "[ . 1 . 2 ]" 3
157 1 26 SER H 1 29 GLU QB 5.000 . 5.500 2.311 1.977 2.998 . 0 0 "[ . 1 . 2 ]" 3
158 1 26 SER H 1 30 LEU H 6.000 . 6.500 4.413 3.693 5.127 . 0 0 "[ . 1 . 2 ]" 3
159 1 26 SER H 1 60 HIS HD2 6.000 . 6.500 3.541 2.785 5.724 . 0 0 "[ . 1 . 2 ]" 3
160 1 26 SER QB 1 27 ALA H 4.000 . 4.500 2.286 1.984 2.895 . 0 0 "[ . 1 . 2 ]" 3
161 1 26 SER QB 1 28 ALA H 5.000 . 5.500 2.705 2.277 3.377 . 0 0 "[ . 1 . 2 ]" 3
162 1 26 SER QB 1 29 GLU H 5.000 . 5.500 3.087 2.529 3.903 . 0 0 "[ . 1 . 2 ]" 3
163 1 27 ALA HA 1 28 ALA H 5.000 . 5.500 3.520 3.470 3.564 . 0 0 "[ . 1 . 2 ]" 3
164 1 27 ALA HA 1 29 GLU H 6.000 . 6.500 4.228 3.922 4.528 . 0 0 "[ . 1 . 2 ]" 3
165 1 27 ALA HA 1 30 LEU H 5.000 . 5.500 3.557 3.280 4.114 . 0 0 "[ . 1 . 2 ]" 3
166 1 27 ALA H 1 28 ALA H 4.000 . 4.500 2.592 2.397 2.772 . 0 0 "[ . 1 . 2 ]" 3
167 1 27 ALA H 1 29 GLU H 6.000 . 6.500 4.012 3.890 4.285 . 0 0 "[ . 1 . 2 ]" 3
168 1 27 ALA H 1 29 GLU QG 6.000 . 6.500 5.354 4.596 6.092 . 0 0 "[ . 1 . 2 ]" 3
169 1 27 ALA H 1 30 LEU QB 6.000 . 6.500 5.013 4.728 5.260 . 0 0 "[ . 1 . 2 ]" 3
170 1 27 ALA H 1 30 LEU QD 6.000 . 6.500 5.606 5.348 6.007 . 0 0 "[ . 1 . 2 ]" 3
171 1 27 ALA H 1 60 HIS HA 6.000 . 6.500 4.860 4.304 5.288 . 0 0 "[ . 1 . 2 ]" 3
172 1 27 ALA H 1 60 HIS HD2 6.000 . 6.500 4.779 3.879 5.759 . 0 0 "[ . 1 . 2 ]" 3
173 1 27 ALA H 1 27 ALA MB 3.000 . 3.500 2.134 2.071 2.268 . 0 0 "[ . 1 . 2 ]" 3
174 1 28 ALA H 1 29 GLU H 4.000 . 4.500 2.539 2.282 2.732 . 0 0 "[ . 1 . 2 ]" 3
175 1 28 ALA H 1 29 GLU QB 6.000 . 6.500 4.523 4.198 4.746 . 0 0 "[ . 1 . 2 ]" 3
176 1 28 ALA H 1 30 LEU H 5.000 . 5.500 4.156 3.917 4.630 . 0 0 "[ . 1 . 2 ]" 3
177 1 28 ALA H 1 31 ARG QB 6.000 . 6.500 5.417 4.499 6.302 . 0 0 "[ . 1 . 2 ]" 3
178 1 28 ALA H 1 46 VAL QG 6.000 . 6.500 4.640 4.350 5.025 . 0 0 "[ . 1 . 2 ]" 3
179 1 28 ALA H 1 50 ILE MD 6.000 . 6.500 4.909 4.371 5.538 . 0 0 "[ . 1 . 2 ]" 3
180 1 28 ALA MB 1 29 GLU H 3.000 . 3.500 2.785 2.548 2.906 . 0 0 "[ . 1 . 2 ]" 3
181 1 29 GLU H 1 30 LEU H 4.000 . 4.500 2.543 2.336 2.941 . 0 0 "[ . 1 . 2 ]" 3
182 1 29 GLU H 1 30 LEU QB 5.000 . 5.500 4.246 4.066 4.500 . 0 0 "[ . 1 . 2 ]" 3
183 1 29 GLU H 1 31 ARG QB 6.000 . 6.500 5.437 4.445 6.144 . 0 0 "[ . 1 . 2 ]" 3
184 1 29 GLU H 1 32 HIS QB 6.000 . 6.500 4.810 4.492 6.430 . 0 0 "[ . 1 . 2 ]" 3
185 1 29 GLU H 1 50 ILE MD 6.000 . 6.500 5.256 4.927 5.538 . 0 0 "[ . 1 . 2 ]" 3
186 1 29 GLU QB 1 30 LEU H 5.000 . 5.500 2.653 2.222 2.997 . 0 0 "[ . 1 . 2 ]" 3
187 1 29 GLU H 1 29 GLU QG 3.000 . 3.500 2.474 2.095 2.870 . 0 0 "[ . 1 . 2 ]" 3
188 1 29 GLU QG 1 30 LEU H 6.000 . 6.500 4.168 3.934 4.407 . 0 0 "[ . 1 . 2 ]" 3
189 1 29 GLU QG 1 31 ARG H 6.000 . 6.500 5.741 5.414 6.123 . 0 0 "[ . 1 . 2 ]" 3
190 1 30 LEU QD 1 31 ARG H 5.000 . 5.500 3.792 3.282 4.420 . 0 0 "[ . 1 . 2 ]" 3
191 1 30 LEU QD 1 34 MET H 6.000 . 6.500 4.094 3.081 5.197 . 0 0 "[ . 1 . 2 ]" 3
192 1 30 LEU QD 1 50 ILE H 5.000 . 5.500 4.202 3.590 4.695 . 0 0 "[ . 1 . 2 ]" 3
193 1 30 LEU QD 1 51 ARG H 6.000 . 6.500 6.018 5.569 6.503 0.003 19 0 "[ . 1 . 2 ]" 3
194 1 31 ARG HA 1 32 HIS H 5.000 . 5.500 3.496 3.473 3.544 . 0 0 "[ . 1 . 2 ]" 3
195 1 31 ARG HA 1 34 MET H 6.000 . 6.500 3.376 3.114 3.933 . 0 0 "[ . 1 . 2 ]" 3
196 1 31 ARG H 1 32 HIS H 4.000 . 4.500 2.549 2.302 2.758 . 0 0 "[ . 1 . 2 ]" 3
197 1 31 ARG H 1 32 HIS QB 6.000 . 6.500 4.285 3.996 5.016 . 0 0 "[ . 1 . 2 ]" 3
198 1 31 ARG H 1 46 VAL QG 5.000 . 5.500 2.913 2.519 3.395 . 0 0 "[ . 1 . 2 ]" 3
199 1 31 ARG H 1 31 ARG QB 3.000 . 3.500 2.413 2.162 2.706 . 0 0 "[ . 1 . 2 ]" 3
200 1 31 ARG QB 1 32 HIS H 4.000 . 4.500 3.188 2.541 3.589 . 0 0 "[ . 1 . 2 ]" 3
201 1 31 ARG H 1 31 ARG QD 5.000 . 5.500 4.248 3.858 4.686 . 0 0 "[ . 1 . 2 ]" 3
202 1 32 HIS H 1 33 VAL H 6.000 . 6.500 2.567 2.350 2.673 . 0 0 "[ . 1 . 2 ]" 3
203 1 32 HIS H 1 33 VAL QG 6.000 . 6.500 3.727 3.365 4.012 . 0 0 "[ . 1 . 2 ]" 3
204 1 32 HIS H 1 34 MET H 6.000 . 6.500 3.937 3.805 4.151 . 0 0 "[ . 1 . 2 ]" 3
205 1 32 HIS H 1 34 MET QG 6.000 . 6.500 5.612 5.144 6.477 . 0 0 "[ . 1 . 2 ]" 3
206 1 32 HIS H 1 32 HIS QB 3.000 . 3.500 2.129 2.047 2.594 . 0 0 "[ . 1 . 2 ]" 3
207 1 32 HIS QB 1 33 VAL H 6.000 . 6.500 2.812 2.537 3.580 . 0 0 "[ . 1 . 2 ]" 3
208 1 32 HIS QB 1 34 MET H 6.000 . 6.500 4.683 4.534 5.152 . 0 0 "[ . 1 . 2 ]" 3
209 1 32 HIS H 1 32 HIS HD2 6.000 . 6.500 5.188 3.965 5.497 . 0 0 "[ . 1 . 2 ]" 3
210 1 33 VAL HA 1 34 MET H 6.000 . 6.500 3.504 3.484 3.555 . 0 0 "[ . 1 . 2 ]" 3
211 1 33 VAL HA 1 36 ASN H 5.000 . 5.500 3.474 3.327 3.832 . 0 0 "[ . 1 . 2 ]" 3
212 1 33 VAL HA 1 36 ASN QD 6.000 . 6.500 4.352 1.974 5.900 . 0 0 "[ . 1 . 2 ]" 3
213 1 33 VAL HA 1 37 LEU H 6.000 . 6.500 4.104 3.902 4.252 . 0 0 "[ . 1 . 2 ]" 3
214 1 33 VAL H 1 34 MET H 6.000 . 6.500 2.420 2.282 2.584 . 0 0 "[ . 1 . 2 ]" 3
215 1 33 VAL QG 1 34 MET H 6.000 . 6.500 2.729 1.961 3.385 . 0 0 "[ . 1 . 2 ]" 3
216 1 33 VAL QG 1 36 ASN H 6.000 . 6.500 4.351 4.136 4.618 . 0 0 "[ . 1 . 2 ]" 3
217 1 33 VAL QG 1 37 LEU H 6.000 . 6.500 4.028 3.551 4.782 . 0 0 "[ . 1 . 2 ]" 3
218 1 34 MET HA 1 37 LEU H 5.000 . 5.500 3.462 3.332 3.627 . 0 0 "[ . 1 . 2 ]" 3
219 1 34 MET H 1 35 THR H 6.000 . 6.500 2.613 2.462 2.752 . 0 0 "[ . 1 . 2 ]" 3
220 1 34 MET H 1 36 ASN H 6.000 . 6.500 4.128 3.980 4.922 . 0 0 "[ . 1 . 2 ]" 3
221 1 34 MET QB 1 35 THR H 6.000 . 6.500 2.708 2.565 2.825 . 0 0 "[ . 1 . 2 ]" 3
222 1 34 MET QG 1 35 THR H 6.000 . 6.500 4.355 4.155 4.505 . 0 0 "[ . 1 . 2 ]" 3
223 1 35 THR HA 1 36 ASN H 5.000 . 5.500 3.523 3.492 3.571 . 0 0 "[ . 1 . 2 ]" 3
224 1 35 THR HA 1 37 LEU H 6.000 . 6.500 4.440 4.196 4.612 . 0 0 "[ . 1 . 2 ]" 3
225 1 35 THR HA 1 41 LEU H 6.000 . 6.500 4.990 4.392 5.628 . 0 0 "[ . 1 . 2 ]" 3
226 1 35 THR H 1 39 GLU H 5.000 . 5.500 4.659 4.465 4.959 . 0 0 "[ . 1 . 2 ]" 3
227 1 35 THR MG 1 36 ASN H 5.000 . 5.500 2.969 1.948 3.816 . 0 0 "[ . 1 . 2 ]" 3
228 1 35 THR MG 1 36 ASN QD 6.000 . 6.500 3.935 2.010 5.218 . 0 0 "[ . 1 . 2 ]" 3
229 1 36 ASN H 1 37 LEU H 3.000 . 3.500 2.528 2.377 2.666 . 0 0 "[ . 1 . 2 ]" 3
230 1 36 ASN H 1 37 LEU QB 6.000 . 6.500 4.227 4.079 4.371 . 0 0 "[ . 1 . 2 ]" 3
231 1 36 ASN H 1 37 LEU QD 6.000 . 6.500 4.360 3.829 5.409 . 0 0 "[ . 1 . 2 ]" 3
232 1 36 ASN H 1 38 GLY H 5.000 . 5.500 3.901 3.826 4.155 . 0 0 "[ . 1 . 2 ]" 3
233 1 36 ASN H 1 38 GLY QA 6.000 . 6.500 5.564 5.492 5.774 . 0 0 "[ . 1 . 2 ]" 3
234 1 36 ASN H 1 39 GLU H 5.000 . 5.500 4.836 4.696 5.179 . 0 0 "[ . 1 . 2 ]" 3
235 1 36 ASN H 1 39 GLU QB 6.000 . 6.500 5.908 5.602 6.441 . 0 0 "[ . 1 . 2 ]" 3
236 1 36 ASN H 1 36 ASN QB 3.000 . 3.500 2.140 2.052 2.564 . 0 0 "[ . 1 . 2 ]" 3
237 1 36 ASN QB 1 37 LEU H 5.000 . 5.500 2.782 2.603 3.522 . 0 0 "[ . 1 . 2 ]" 3
238 1 36 ASN H 1 36 ASN HD22 6.000 . 6.500 4.820 3.621 5.773 . 0 0 "[ . 1 . 2 ]" 3
239 1 37 LEU H 1 38 GLY H 5.000 . 5.500 2.585 2.450 2.666 . 0 0 "[ . 1 . 2 ]" 3
240 1 37 LEU H 1 38 GLY QA 6.000 . 6.500 4.528 4.424 4.590 . 0 0 "[ . 1 . 2 ]" 3
241 1 37 LEU H 1 39 GLU H 5.000 . 5.500 4.135 3.958 4.300 . 0 0 "[ . 1 . 2 ]" 3
242 1 37 LEU H 1 39 GLU QB 6.000 . 6.500 4.924 4.716 5.099 . 0 0 "[ . 1 . 2 ]" 3
243 1 38 GLY H 1 39 GLU H 5.000 . 5.500 2.176 2.055 2.284 . 0 0 "[ . 1 . 2 ]" 3
244 1 38 GLY QA 1 39 GLU H 5.000 . 5.500 2.688 2.624 2.790 . 0 0 "[ . 1 . 2 ]" 3
245 1 39 GLU HA 1 40 LYS H 3.000 . 3.500 2.184 2.139 2.398 . 0 0 "[ . 1 . 2 ]" 3
246 1 39 GLU H 1 40 LYS H 6.000 . 6.500 4.152 3.826 4.416 . 0 0 "[ . 1 . 2 ]" 3
247 1 39 GLU QB 1 40 LYS H 5.000 . 5.500 3.354 2.818 3.875 . 0 0 "[ . 1 . 2 ]" 3
248 1 39 GLU QG 1 40 LYS H 6.000 . 6.500 3.700 2.411 4.558 . 0 0 "[ . 1 . 2 ]" 3
249 1 40 LYS HA 1 41 LEU H 3.000 . 3.500 2.159 2.139 2.227 . 0 0 "[ . 1 . 2 ]" 3
250 1 40 LYS H 1 41 LEU H 5.000 . 5.500 4.419 4.167 4.587 . 0 0 "[ . 1 . 2 ]" 3
251 1 40 LYS H 1 41 LEU QD 5.000 . 5.500 3.581 3.080 4.832 . 0 0 "[ . 1 . 2 ]" 3
252 1 40 LYS QB 1 41 LEU H 5.000 . 5.500 3.368 2.879 3.649 . 0 0 "[ . 1 . 2 ]" 3
253 1 41 LEU HA 1 42 THR H 3.000 . 3.500 2.221 2.140 2.329 . 0 0 "[ . 1 . 2 ]" 3
254 1 41 LEU H 1 42 THR H 6.000 . 6.500 4.343 4.141 4.508 . 0 0 "[ . 1 . 2 ]" 3
255 1 41 LEU H 1 46 VAL QG 6.000 . 6.500 4.600 4.091 5.829 . 0 0 "[ . 1 . 2 ]" 3
256 1 41 LEU QB 1 42 THR H 5.000 . 5.500 2.944 2.559 3.382 . 0 0 "[ . 1 . 2 ]" 3
257 1 41 LEU QB 1 44 ASP H 6.000 . 6.500 6.308 6.077 6.493 . 0 0 "[ . 1 . 2 ]" 3
258 1 41 LEU QB 1 45 GLU H 5.000 . 5.500 4.814 4.270 5.375 . 0 0 "[ . 1 . 2 ]" 3
259 1 41 LEU QB 1 46 VAL H 5.000 . 5.500 3.719 3.253 4.086 . 0 0 "[ . 1 . 2 ]" 3
260 1 41 LEU QD 1 42 THR H 5.000 . 5.500 3.658 2.575 4.236 . 0 0 "[ . 1 . 2 ]" 3
261 1 41 LEU QD 1 45 GLU H 5.000 . 5.500 4.872 4.122 5.376 . 0 0 "[ . 1 . 2 ]" 3
262 1 41 LEU QD 1 46 VAL H 6.000 . 6.500 3.748 2.740 4.427 . 0 0 "[ . 1 . 2 ]" 3
263 1 42 THR HA 1 43 ASP H 3.000 . 3.500 2.487 2.423 2.590 . 0 0 "[ . 1 . 2 ]" 3
264 1 42 THR HB 1 43 ASP H 3.000 . 3.500 2.687 2.063 3.298 . 0 0 "[ . 1 . 2 ]" 3
265 1 42 THR HB 1 44 ASP H 3.000 . 3.500 2.749 2.245 3.056 . 0 0 "[ . 1 . 2 ]" 3
266 1 42 THR HB 1 45 GLU H 4.000 . 4.500 2.852 2.183 3.892 . 0 0 "[ . 1 . 2 ]" 3
267 1 42 THR HB 1 46 VAL H 6.000 . 6.500 4.751 4.069 5.610 . 0 0 "[ . 1 . 2 ]" 3
268 1 42 THR H 1 43 ASP H 6.000 . 6.500 4.571 4.534 4.600 . 0 0 "[ . 1 . 2 ]" 3
269 1 42 THR H 1 44 ASP H 6.000 . 6.500 5.103 4.754 5.402 . 0 0 "[ . 1 . 2 ]" 3
270 1 42 THR H 1 45 GLU HA 6.000 . 6.500 5.134 4.757 5.551 . 0 0 "[ . 1 . 2 ]" 3
271 1 42 THR H 1 45 GLU H 5.000 . 5.500 3.740 3.529 4.015 . 0 0 "[ . 1 . 2 ]" 3
272 1 42 THR H 1 45 GLU QB 5.000 . 5.500 2.205 1.935 2.575 . 0 0 "[ . 1 . 2 ]" 3
273 1 42 THR H 1 45 GLU QG 4.000 . 4.500 3.294 2.678 3.836 . 0 0 "[ . 1 . 2 ]" 3
274 1 42 THR H 1 46 VAL H 6.000 . 6.500 4.347 3.736 5.013 . 0 0 "[ . 1 . 2 ]" 3
275 1 42 THR H 1 46 VAL QG 6.000 . 6.500 3.998 3.468 4.800 . 0 0 "[ . 1 . 2 ]" 3
276 1 42 THR H 1 42 THR MG 4.000 . 4.500 3.203 2.211 3.811 . 0 0 "[ . 1 . 2 ]" 3
277 1 42 THR MG 1 43 ASP H 5.000 . 5.500 2.684 1.937 3.618 . 0 0 "[ . 1 . 2 ]" 3
278 1 42 THR MG 1 44 ASP H 6.000 . 6.500 3.399 2.323 4.478 . 0 0 "[ . 1 . 2 ]" 3
279 1 42 THR MG 1 45 GLU H 5.000 . 5.500 3.971 3.416 4.491 . 0 0 "[ . 1 . 2 ]" 3
280 1 43 ASP HA 1 44 ASP H 5.000 . 5.500 3.518 3.444 3.553 . 0 0 "[ . 1 . 2 ]" 3
281 1 43 ASP HA 1 46 VAL H 5.000 . 5.500 3.697 3.416 3.881 . 0 0 "[ . 1 . 2 ]" 3
282 1 43 ASP H 1 44 ASP H 4.000 . 4.500 2.659 2.462 2.765 . 0 0 "[ . 1 . 2 ]" 3
283 1 43 ASP H 1 45 GLU H 6.000 . 6.500 4.093 3.972 4.244 . 0 0 "[ . 1 . 2 ]" 3
284 1 43 ASP H 1 46 VAL H 6.000 . 6.500 4.872 4.621 4.984 . 0 0 "[ . 1 . 2 ]" 3
285 1 43 ASP H 1 46 VAL QG 6.000 . 6.500 4.347 3.889 4.690 . 0 0 "[ . 1 . 2 ]" 3
286 1 43 ASP H 1 43 ASP QB 3.000 . 3.500 2.329 2.043 2.608 . 0 0 "[ . 1 . 2 ]" 3
287 1 43 ASP QB 1 44 ASP H 4.000 . 4.500 2.984 2.531 3.614 . 0 0 "[ . 1 . 2 ]" 3
288 1 44 ASP H 1 44 ASP HA 3.000 . 3.500 2.855 2.795 2.905 . 0 0 "[ . 1 . 2 ]" 3
289 1 44 ASP HA 1 45 GLU H 5.000 . 5.500 3.520 3.492 3.543 . 0 0 "[ . 1 . 2 ]" 3
290 1 44 ASP H 1 45 GLU HA 6.000 . 6.500 5.138 4.966 5.311 . 0 0 "[ . 1 . 2 ]" 3
291 1 44 ASP H 1 45 GLU H 4.000 . 4.500 2.510 2.286 2.717 . 0 0 "[ . 1 . 2 ]" 3
292 1 44 ASP H 1 45 GLU QB 5.000 . 5.500 4.262 4.100 4.487 . 0 0 "[ . 1 . 2 ]" 3
293 1 44 ASP H 1 45 GLU QG 5.000 . 5.500 4.959 4.438 5.459 . 0 0 "[ . 1 . 2 ]" 3
294 1 44 ASP H 1 46 VAL H 5.000 . 5.500 4.094 3.675 4.409 . 0 0 "[ . 1 . 2 ]" 3
295 1 44 ASP H 1 46 VAL QG 6.000 . 6.500 4.647 3.710 5.015 . 0 0 "[ . 1 . 2 ]" 3
296 1 44 ASP H 1 47 ASP H 5.000 . 5.500 4.775 4.612 4.955 . 0 0 "[ . 1 . 2 ]" 3
297 1 44 ASP H 1 44 ASP QB 3.000 . 3.500 2.376 2.086 2.706 . 0 0 "[ . 1 . 2 ]" 3
298 1 44 ASP QB 1 45 GLU H 4.000 . 4.500 3.048 2.539 3.519 . 0 0 "[ . 1 . 2 ]" 3
299 1 45 GLU HA 1 46 VAL H 5.000 . 5.500 3.527 3.491 3.565 . 0 0 "[ . 1 . 2 ]" 3
300 1 45 GLU H 1 46 VAL HA 6.000 . 6.500 5.270 5.072 5.361 . 0 0 "[ . 1 . 2 ]" 3
301 1 45 GLU H 1 46 VAL H 4.000 . 4.500 2.655 2.419 2.776 . 0 0 "[ . 1 . 2 ]" 3
302 1 45 GLU H 1 46 VAL QG 6.000 . 6.500 3.923 3.693 4.099 . 0 0 "[ . 1 . 2 ]" 3
303 1 45 GLU H 1 48 GLU H 6.000 . 6.500 4.869 4.646 5.128 . 0 0 "[ . 1 . 2 ]" 3
304 1 45 GLU QB 1 46 VAL H 5.000 . 5.500 2.700 2.468 2.887 . 0 0 "[ . 1 . 2 ]" 3
305 1 45 GLU H 1 45 GLU QG 3.000 . 3.500 2.988 2.615 3.453 . 0 0 "[ . 1 . 2 ]" 3
306 1 46 VAL HA 1 47 ASP H 4.000 . 4.500 3.545 3.492 3.562 . 0 0 "[ . 1 . 2 ]" 3
307 1 46 VAL HA 1 48 GLU H 5.000 . 5.500 4.113 3.897 4.350 . 0 0 "[ . 1 . 2 ]" 3
308 1 46 VAL HA 1 49 MET H 5.000 . 5.500 3.350 3.092 3.513 . 0 0 "[ . 1 . 2 ]" 3
309 1 46 VAL HB 1 47 ASP H 4.000 . 4.500 2.683 2.387 3.993 . 0 0 "[ . 1 . 2 ]" 3
310 1 46 VAL H 1 47 ASP QB 5.000 . 5.500 4.291 4.040 4.468 . 0 0 "[ . 1 . 2 ]" 3
311 1 46 VAL H 1 46 VAL QG 4.000 . 4.500 2.073 1.949 2.334 . 0 0 "[ . 1 . 2 ]" 3
312 1 46 VAL QG 1 47 ASP H 5.000 . 5.500 3.035 1.953 3.317 . 0 0 "[ . 1 . 2 ]" 3
313 1 46 VAL QG 1 49 MET H 5.000 . 5.500 4.093 3.910 4.319 . 0 0 "[ . 1 . 2 ]" 3
314 1 47 ASP H 1 47 ASP HA 3.000 . 3.500 2.789 2.763 2.825 . 0 0 "[ . 1 . 2 ]" 3
315 1 47 ASP HA 1 48 GLU H 5.000 . 5.500 3.501 3.484 3.528 . 0 0 "[ . 1 . 2 ]" 3
316 1 47 ASP HA 1 49 MET H 6.000 . 6.500 4.207 3.978 4.553 . 0 0 "[ . 1 . 2 ]" 3
317 1 47 ASP HA 1 50 ILE H 5.000 . 5.500 3.448 3.199 3.828 . 0 0 "[ . 1 . 2 ]" 3
318 1 47 ASP HA 1 51 ARG H 5.000 . 5.500 4.199 3.903 4.587 . 0 0 "[ . 1 . 2 ]" 3
319 1 47 ASP H 1 50 ILE HB 6.000 . 6.500 5.651 5.476 5.915 . 0 0 "[ . 1 . 2 ]" 3
320 1 47 ASP H 1 47 ASP QB 3.000 . 3.500 2.122 2.043 2.235 . 0 0 "[ . 1 . 2 ]" 3
321 1 47 ASP QB 1 48 GLU H 4.000 . 4.500 2.810 2.703 2.912 . 0 0 "[ . 1 . 2 ]" 3
322 1 47 ASP QB 1 51 ARG H 6.000 . 6.500 5.056 4.581 5.547 . 0 0 "[ . 1 . 2 ]" 3
323 1 48 GLU H 1 49 MET H 3.000 . 3.500 2.532 2.360 2.660 . 0 0 "[ . 1 . 2 ]" 3
324 1 48 GLU H 1 50 ILE HB 5.000 . 5.500 5.471 5.416 5.504 0.004 17 0 "[ . 1 . 2 ]" 3
325 1 48 GLU H 1 51 ARG H 6.000 . 6.500 4.856 4.600 5.115 . 0 0 "[ . 1 . 2 ]" 3
326 1 48 GLU H 1 48 GLU QG 3.000 . 3.500 2.887 1.987 3.463 . 0 0 "[ . 1 . 2 ]" 3
327 1 49 MET H 1 50 ILE H 4.000 . 4.500 2.517 2.386 2.721 . 0 0 "[ . 1 . 2 ]" 3
328 1 49 MET H 1 50 ILE QG 6.000 . 6.500 3.823 3.646 4.134 . 0 0 "[ . 1 . 2 ]" 3
329 1 49 MET H 1 51 ARG H 6.000 . 6.500 4.107 3.971 4.293 . 0 0 "[ . 1 . 2 ]" 3
330 1 49 MET H 2 8 SER QB 6.000 . 6.500 5.198 4.464 5.886 . 0 0 "[ . 1 . 2 ]" 3
331 1 49 MET H 1 49 MET QB 3.000 . 3.500 2.214 2.078 2.517 . 0 0 "[ . 1 . 2 ]" 3
332 1 49 MET QB 1 50 ILE H 4.000 . 4.500 2.726 2.502 2.880 . 0 0 "[ . 1 . 2 ]" 3
333 1 49 MET H 1 49 MET QG 4.000 . 4.500 3.125 2.299 3.950 . 0 0 "[ . 1 . 2 ]" 3
334 1 49 MET QG 1 50 ILE H 6.000 . 6.500 4.313 3.994 4.502 . 0 0 "[ . 1 . 2 ]" 3
335 1 50 ILE HA 1 51 ARG H 5.000 . 5.500 3.536 3.506 3.557 . 0 0 "[ . 1 . 2 ]" 3
336 1 50 ILE HA 1 52 GLU H 6.000 . 6.500 4.299 3.912 4.655 . 0 0 "[ . 1 . 2 ]" 3
337 1 50 ILE HA 1 53 ALA H 5.000 . 5.500 3.372 3.127 3.538 . 0 0 "[ . 1 . 2 ]" 3
338 1 50 ILE HA 1 54 ASP H 5.000 . 5.500 4.173 3.539 5.167 . 0 0 "[ . 1 . 2 ]" 3
339 1 50 ILE H 1 50 ILE HB 3.000 . 3.500 2.618 2.597 2.641 . 0 0 "[ . 1 . 2 ]" 3
340 1 50 ILE H 1 51 ARG H 4.000 . 4.500 2.588 2.393 2.701 . 0 0 "[ . 1 . 2 ]" 3
341 1 50 ILE H 1 50 ILE QG 4.000 . 4.500 1.992 1.971 2.090 . 0 0 "[ . 1 . 2 ]" 3
342 1 50 ILE QG 1 51 ARG H 6.000 . 6.500 3.877 3.794 3.971 . 0 0 "[ . 1 . 2 ]" 3
343 1 50 ILE MG 1 51 ARG H 4.000 . 4.500 3.615 3.492 3.724 . 0 0 "[ . 1 . 2 ]" 3
344 1 50 ILE MG 1 52 GLU H 6.000 . 6.500 5.023 4.717 5.296 . 0 0 "[ . 1 . 2 ]" 3
345 1 50 ILE MG 1 54 ASP H 5.000 . 5.500 3.915 3.261 4.804 . 0 0 "[ . 1 . 2 ]" 3
346 1 50 ILE MG 1 59 GLY H 6.000 . 6.500 4.145 3.692 4.625 . 0 0 "[ . 1 . 2 ]" 3
347 1 50 ILE MG 1 60 HIS H 5.000 . 5.500 3.825 3.017 4.665 . 0 0 "[ . 1 . 2 ]" 3
348 1 50 ILE MG 1 61 ILE H 5.000 . 5.500 3.787 3.315 4.595 . 0 0 "[ . 1 . 2 ]" 3
349 1 51 ARG HA 1 51 ARG HE 6.000 . 6.500 4.668 3.383 5.359 . 0 0 "[ . 1 . 2 ]" 3
350 1 51 ARG H 1 52 GLU H 4.000 . 4.500 2.687 2.537 2.791 . 0 0 "[ . 1 . 2 ]" 3
351 1 51 ARG H 1 52 GLU QG 6.000 . 6.500 4.957 3.826 6.017 . 0 0 "[ . 1 . 2 ]" 3
352 1 51 ARG H 1 53 ALA H 5.000 . 5.500 4.046 3.925 4.147 . 0 0 "[ . 1 . 2 ]" 3
353 1 51 ARG H 1 54 ASP H 5.000 . 5.500 4.757 4.448 5.487 . 0 0 "[ . 1 . 2 ]" 3
354 1 51 ARG H 1 51 ARG QB 3.000 . 3.500 2.171 2.049 2.386 . 0 0 "[ . 1 . 2 ]" 3
355 1 51 ARG QB 1 52 GLU H 4.000 . 4.500 2.666 2.370 2.910 . 0 0 "[ . 1 . 2 ]" 3
356 1 51 ARG H 1 51 ARG QD 5.000 . 5.500 3.876 2.917 4.563 . 0 0 "[ . 1 . 2 ]" 3
357 1 51 ARG QD 1 52 GLU H 6.000 . 6.500 5.062 4.762 5.363 . 0 0 "[ . 1 . 2 ]" 3
358 1 51 ARG QD 1 54 ASP H 6.000 . 6.500 5.876 4.957 6.491 . 0 0 "[ . 1 . 2 ]" 3
359 1 52 GLU H 1 53 ALA HA 6.000 . 6.500 5.190 5.058 5.285 . 0 0 "[ . 1 . 2 ]" 3
360 1 52 GLU H 1 53 ALA H 4.000 . 4.500 2.536 2.378 2.661 . 0 0 "[ . 1 . 2 ]" 3
361 1 52 GLU H 1 53 ALA MB 5.000 . 5.500 4.261 4.065 4.440 . 0 0 "[ . 1 . 2 ]" 3
362 1 52 GLU H 1 54 ASP QB 6.000 . 6.500 4.691 4.341 5.137 . 0 0 "[ . 1 . 2 ]" 3
363 1 52 GLU H 1 52 GLU QB 3.000 . 3.500 2.239 2.071 2.673 . 0 0 "[ . 1 . 2 ]" 3
364 1 52 GLU QB 1 54 ASP H 5.000 . 5.500 4.709 4.619 4.850 . 0 0 "[ . 1 . 2 ]" 3
365 1 52 GLU H 1 52 GLU QG 4.000 . 4.500 2.881 1.959 3.781 . 0 0 "[ . 1 . 2 ]" 3
366 1 52 GLU QG 1 53 ALA H 5.000 . 5.500 4.213 2.010 4.648 . 0 0 "[ . 1 . 2 ]" 3
367 1 52 GLU QG 1 54 ASP H 6.000 . 6.500 5.709 4.458 6.077 . 0 0 "[ . 1 . 2 ]" 3
368 1 53 ALA H 1 53 ALA HA 3.000 . 3.500 2.914 2.871 2.947 . 0 0 "[ . 1 . 2 ]" 3
369 1 53 ALA H 1 54 ASP H 3.000 . 3.500 2.427 2.173 2.782 . 0 0 "[ . 1 . 2 ]" 3
370 1 53 ALA H 1 54 ASP QB 5.000 . 5.500 3.964 3.704 4.203 . 0 0 "[ . 1 . 2 ]" 3
371 1 53 ALA H 1 61 ILE QG 5.000 . 5.500 4.658 4.157 5.473 . 0 0 "[ . 1 . 2 ]" 3
372 1 53 ALA H 1 53 ALA MB 3.000 . 3.500 2.248 2.110 2.449 . 0 0 "[ . 1 . 2 ]" 3
373 1 53 ALA MB 1 54 ASP H 5.000 . 5.500 3.015 2.630 3.640 . 0 0 "[ . 1 . 2 ]" 3
374 1 53 ALA MB 1 62 ASN H 6.000 . 6.500 5.173 4.480 5.997 . 0 0 "[ . 1 . 2 ]" 3
375 1 53 ALA MB 1 66 PHE H 6.000 . 6.500 5.095 4.592 5.769 . 0 0 "[ . 1 . 2 ]" 3
376 1 54 ASP HA 1 55 ILE H 3.000 . 3.500 2.200 2.142 2.411 . 0 0 "[ . 1 . 2 ]" 3
377 1 54 ASP HA 1 60 HIS H 6.000 . 6.500 5.051 4.108 6.200 . 0 0 "[ . 1 . 2 ]" 3
378 1 54 ASP H 1 55 ILE H 5.000 . 5.500 4.194 3.805 4.424 . 0 0 "[ . 1 . 2 ]" 3
379 1 54 ASP H 1 57 GLY H 6.000 . 6.500 5.538 5.262 5.813 . 0 0 "[ . 1 . 2 ]" 3
380 1 54 ASP H 1 61 ILE QG 6.000 . 6.500 4.421 3.072 5.722 . 0 0 "[ . 1 . 2 ]" 3
381 1 54 ASP H 1 69 MET ME 6.000 . 6.500 5.612 4.824 6.502 0.002 5 0 "[ . 1 . 2 ]" 3
382 1 54 ASP H 1 54 ASP QB 3.000 . 3.500 2.181 2.064 2.391 . 0 0 "[ . 1 . 2 ]" 3
383 1 54 ASP QB 1 57 GLY H 5.000 . 5.500 2.813 2.275 3.574 . 0 0 "[ . 1 . 2 ]" 3
384 1 55 ILE HA 1 56 ASP H 4.000 . 4.500 3.486 3.309 3.564 . 0 0 "[ . 1 . 2 ]" 3
385 1 55 ILE H 1 55 ILE HB 3.000 . 3.500 2.619 2.588 2.685 . 0 0 "[ . 1 . 2 ]" 3
386 1 55 ILE HB 1 56 ASP H 4.000 . 4.500 2.862 2.326 3.505 . 0 0 "[ . 1 . 2 ]" 3
387 1 55 ILE HB 1 57 GLY H 6.000 . 6.500 4.906 4.498 5.385 . 0 0 "[ . 1 . 2 ]" 3
388 1 55 ILE H 1 56 ASP H 4.000 . 4.500 2.384 2.252 2.628 . 0 0 "[ . 1 . 2 ]" 3
389 1 55 ILE H 1 57 GLY H 6.000 . 6.500 3.767 3.368 4.226 . 0 0 "[ . 1 . 2 ]" 3
390 1 55 ILE H 1 65 GLU QB 6.000 . 6.500 3.491 2.236 4.285 . 0 0 "[ . 1 . 2 ]" 3
391 1 55 ILE H 1 65 GLU QG 5.000 . 5.500 2.496 1.970 3.657 . 0 0 "[ . 1 . 2 ]" 3
392 1 55 ILE MD 1 65 GLU H 5.000 . 5.500 4.030 3.465 4.572 . 0 0 "[ . 1 . 2 ]" 3
393 1 55 ILE MD 1 66 PHE H 6.000 . 6.500 5.112 4.468 5.518 . 0 0 "[ . 1 . 2 ]" 3
394 1 55 ILE H 1 55 ILE QG 4.000 . 4.500 2.147 1.973 2.388 . 0 0 "[ . 1 . 2 ]" 3
395 1 55 ILE QG 1 56 ASP H 5.000 . 5.500 3.976 3.738 4.288 . 0 0 "[ . 1 . 2 ]" 3
396 1 55 ILE QG 1 68 ARG H 6.000 . 6.500 5.902 5.175 6.372 . 0 0 "[ . 1 . 2 ]" 3
397 1 55 ILE MG 1 57 GLY H 6.000 . 6.500 4.934 4.558 5.209 . 0 0 "[ . 1 . 2 ]" 3
398 1 56 ASP HA 1 57 GLY H 5.000 . 5.500 3.411 3.138 3.440 . 0 0 "[ . 1 . 2 ]" 3
399 1 56 ASP H 1 57 GLY H 3.000 . 3.500 2.370 2.046 2.614 . 0 0 "[ . 1 . 2 ]" 3
400 1 56 ASP H 1 57 GLY QA 5.000 . 5.500 4.282 4.048 4.474 . 0 0 "[ . 1 . 2 ]" 3
401 1 56 ASP H 1 58 ASP H 5.000 . 5.500 4.001 3.501 4.319 . 0 0 "[ . 1 . 2 ]" 3
402 1 56 ASP H 1 65 GLU QG 5.000 . 5.500 3.745 1.984 5.088 . 0 0 "[ . 1 . 2 ]" 3
403 1 56 ASP QB 1 57 GLY H 5.000 . 5.500 3.276 3.033 3.964 . 0 0 "[ . 1 . 2 ]" 3
404 1 56 ASP QB 1 60 HIS H 6.000 . 6.500 5.597 4.700 6.550 0.050 21 0 "[ . 1 . 2 ]" 3
405 1 57 GLY H 1 58 ASP H 3.000 . 3.500 2.600 2.281 2.795 . 0 0 "[ . 1 . 2 ]" 3
406 1 57 GLY H 1 59 GLY H 5.000 . 5.500 4.075 3.773 4.257 . 0 0 "[ . 1 . 2 ]" 3
407 1 57 GLY QA 1 58 ASP H 4.000 . 4.500 2.751 2.665 2.845 . 0 0 "[ . 1 . 2 ]" 3
408 1 57 GLY QA 1 59 GLY H 6.000 . 6.500 3.443 3.276 3.606 . 0 0 "[ . 1 . 2 ]" 3
409 1 58 ASP HA 1 59 GLY H 6.000 . 6.500 3.439 3.432 3.443 . 0 0 "[ . 1 . 2 ]" 3
410 1 58 ASP HA 1 60 HIS H 6.000 . 6.500 4.799 4.267 5.259 . 0 0 "[ . 1 . 2 ]" 3
411 1 58 ASP H 1 59 GLY H 3.000 . 3.500 2.157 1.993 2.439 . 0 0 "[ . 1 . 2 ]" 3
412 1 58 ASP H 1 59 GLY QA 5.000 . 5.500 4.166 4.021 4.385 . 0 0 "[ . 1 . 2 ]" 3
413 1 58 ASP H 1 60 HIS H 5.000 . 5.500 3.670 3.438 4.062 . 0 0 "[ . 1 . 2 ]" 3
414 1 58 ASP QB 1 59 GLY H 6.000 . 6.500 3.428 3.032 3.670 . 0 0 "[ . 1 . 2 ]" 3
415 1 58 ASP QB 1 60 HIS H 5.000 . 5.500 3.605 2.533 4.520 . 0 0 "[ . 1 . 2 ]" 3
416 1 59 GLY H 1 60 HIS H 4.000 . 4.500 2.350 2.056 2.698 . 0 0 "[ . 1 . 2 ]" 3
417 1 59 GLY QA 1 60 HIS H 5.000 . 5.500 2.832 2.726 2.927 . 0 0 "[ . 1 . 2 ]" 3
418 1 60 HIS HA 1 61 ILE H 4.000 . 4.500 2.300 2.155 2.591 . 0 0 "[ . 1 . 2 ]" 3
419 1 60 HIS H 1 61 ILE H 6.000 . 6.500 4.401 4.241 4.528 . 0 0 "[ . 1 . 2 ]" 3
420 1 60 HIS H 1 60 HIS HD2 6.000 . 6.500 5.110 3.170 5.635 . 0 0 "[ . 1 . 2 ]" 3
421 1 61 ILE HA 1 62 ASN H 3.000 . 3.500 2.164 2.142 2.247 . 0 0 "[ . 1 . 2 ]" 3
422 1 61 ILE HA 1 65 GLU H 6.000 . 6.500 5.239 4.954 5.663 . 0 0 "[ . 1 . 2 ]" 3
423 1 61 ILE HA 1 66 PHE H 6.000 . 6.500 5.193 4.641 5.615 . 0 0 "[ . 1 . 2 ]" 3
424 1 61 ILE H 1 62 ASN H 6.000 . 6.500 4.327 3.993 4.568 . 0 0 "[ . 1 . 2 ]" 3
425 1 61 ILE MD 1 62 ASN H 5.000 . 5.500 5.238 3.847 5.504 0.004 18 0 "[ . 1 . 2 ]" 3
426 1 61 ILE MG 1 62 ASN H 5.000 . 5.500 2.796 2.051 3.454 . 0 0 "[ . 1 . 2 ]" 3
427 1 61 ILE MG 1 63 TYR H 6.000 . 6.500 5.175 4.995 5.393 . 0 0 "[ . 1 . 2 ]" 3
428 1 61 ILE MG 1 64 GLU H 6.000 . 6.500 5.644 5.346 6.046 . 0 0 "[ . 1 . 2 ]" 3
429 1 61 ILE MG 1 65 GLU H 5.000 . 5.500 4.120 3.851 4.472 . 0 0 "[ . 1 . 2 ]" 3
430 1 61 ILE MG 1 66 PHE H 5.000 . 5.500 3.032 2.741 3.325 . 0 0 "[ . 1 . 2 ]" 3
431 1 61 ILE MG 1 67 VAL H 6.000 . 6.500 4.947 4.542 5.239 . 0 0 "[ . 1 . 2 ]" 3
432 1 62 ASN HA 1 63 TYR H 4.000 . 4.500 2.574 2.366 2.724 . 0 0 "[ . 1 . 2 ]" 3
433 1 62 ASN HA 1 64 GLU H 6.000 . 6.500 4.577 4.188 4.917 . 0 0 "[ . 1 . 2 ]" 3
434 1 62 ASN HA 1 65 GLU H 6.000 . 6.500 4.654 4.460 5.117 . 0 0 "[ . 1 . 2 ]" 3
435 1 62 ASN H 1 63 TYR H 6.000 . 6.500 4.496 4.398 4.637 . 0 0 "[ . 1 . 2 ]" 3
436 1 62 ASN H 1 64 GLU H 6.000 . 6.500 5.005 4.709 5.492 . 0 0 "[ . 1 . 2 ]" 3
437 1 62 ASN H 1 65 GLU HA 6.000 . 6.500 5.036 4.879 6.209 . 0 0 "[ . 1 . 2 ]" 3
438 1 62 ASN H 1 65 GLU H 5.000 . 5.500 3.533 3.279 4.243 . 0 0 "[ . 1 . 2 ]" 3
439 1 62 ASN H 1 65 GLU QB 5.000 . 5.500 2.203 1.959 4.304 . 0 0 "[ . 1 . 2 ]" 3
440 1 62 ASN H 1 65 GLU QG 5.000 . 5.500 3.191 2.527 3.619 . 0 0 "[ . 1 . 2 ]" 3
441 1 62 ASN H 1 66 PHE H 6.000 . 6.500 4.144 3.690 4.571 . 0 0 "[ . 1 . 2 ]" 3
442 1 62 ASN QB 1 63 TYR H 4.000 . 4.500 2.618 2.010 3.282 . 0 0 "[ . 1 . 2 ]" 3
443 1 62 ASN QB 1 64 GLU H 5.000 . 5.500 2.671 2.335 3.138 . 0 0 "[ . 1 . 2 ]" 3
444 1 62 ASN H 1 62 ASN HD22 6.000 . 6.500 5.700 4.676 5.958 . 0 0 "[ . 1 . 2 ]" 3
445 1 62 ASN QD 1 63 TYR H 5.000 . 5.500 2.866 1.968 4.131 . 0 0 "[ . 1 . 2 ]" 3
446 1 62 ASN QD 1 63 TYR QB 6.000 . 6.500 3.917 2.838 5.266 . 0 0 "[ . 1 . 2 ]" 3
447 1 62 ASN HD21 1 64 GLU H 6.000 . 6.500 4.361 2.624 5.874 . 0 0 "[ . 1 . 2 ]" 3
448 1 62 ASN HD22 1 64 GLU H 6.000 . 6.500 5.084 4.276 6.172 . 0 0 "[ . 1 . 2 ]" 3
449 1 62 ASN HD21 1 65 GLU H 6.000 . 6.500 5.376 4.430 6.214 . 0 0 "[ . 1 . 2 ]" 3
450 1 62 ASN HD22 1 65 GLU H 6.000 . 6.500 6.368 6.059 6.503 0.003 9 0 "[ . 1 . 2 ]" 3
451 1 63 TYR H 1 64 GLU H 5.000 . 5.500 2.686 2.464 2.844 . 0 0 "[ . 1 . 2 ]" 3
452 1 63 TYR H 1 66 PHE H 6.000 . 6.500 4.662 4.495 4.834 . 0 0 "[ . 1 . 2 ]" 3
453 1 63 TYR QB 1 64 GLU H 4.000 . 4.500 2.561 2.295 2.776 . 0 0 "[ . 1 . 2 ]" 3
454 1 63 TYR H 1 63 TYR QD 5.000 . 5.500 4.180 4.092 4.212 . 0 0 "[ . 1 . 2 ]" 3
455 1 63 TYR QD 1 64 GLU H 5.000 . 5.500 3.856 3.212 4.291 . 0 0 "[ . 1 . 2 ]" 3
456 1 64 GLU H 1 64 GLU HA 3.000 . 3.500 2.831 2.791 2.872 . 0 0 "[ . 1 . 2 ]" 3
457 1 64 GLU HA 1 65 GLU H 5.000 . 5.500 3.513 3.464 3.571 . 0 0 "[ . 1 . 2 ]" 3
458 1 64 GLU HA 1 66 PHE H 6.000 . 6.500 4.338 4.180 4.496 . 0 0 "[ . 1 . 2 ]" 3
459 1 64 GLU HA 1 67 VAL H 5.000 . 5.500 3.676 3.451 4.039 . 0 0 "[ . 1 . 2 ]" 3
460 1 64 GLU HA 1 68 ARG H 6.000 . 6.500 4.707 4.280 5.069 . 0 0 "[ . 1 . 2 ]" 3
461 1 64 GLU H 1 65 GLU HA 6.000 . 6.500 5.223 5.086 5.439 . 0 0 "[ . 1 . 2 ]" 3
462 1 64 GLU H 1 65 GLU H 4.000 . 4.500 2.599 2.421 2.936 . 0 0 "[ . 1 . 2 ]" 3
463 1 64 GLU H 1 65 GLU QB 5.000 . 5.500 4.638 4.374 5.218 . 0 0 "[ . 1 . 2 ]" 3
464 1 64 GLU H 1 65 GLU QG 5.000 . 5.500 4.296 3.882 5.024 . 0 0 "[ . 1 . 2 ]" 3
465 1 64 GLU H 1 66 PHE H 5.000 . 5.500 4.011 3.698 4.279 . 0 0 "[ . 1 . 2 ]" 3
466 1 64 GLU H 1 67 VAL QG 6.000 . 6.500 4.294 3.923 4.688 . 0 0 "[ . 1 . 2 ]" 3
467 1 64 GLU H 1 64 GLU QG 4.000 . 4.500 3.320 2.054 3.974 . 0 0 "[ . 1 . 2 ]" 3
468 1 64 GLU QG 1 65 GLU H 5.000 . 5.500 4.120 1.986 4.560 . 0 0 "[ . 1 . 2 ]" 3
469 1 65 GLU HA 1 66 PHE H 5.000 . 5.500 3.505 3.466 3.541 . 0 0 "[ . 1 . 2 ]" 3
470 1 65 GLU H 1 66 PHE H 4.000 . 4.500 2.490 2.269 2.715 . 0 0 "[ . 1 . 2 ]" 3
471 1 65 GLU H 1 66 PHE QB 5.000 . 5.500 4.241 4.056 4.455 . 0 0 "[ . 1 . 2 ]" 3
472 1 65 GLU H 1 67 VAL QG 6.000 . 6.500 4.460 3.801 5.123 . 0 0 "[ . 1 . 2 ]" 3
473 1 65 GLU QB 1 66 PHE H 5.000 . 5.500 2.764 2.618 3.598 . 0 0 "[ . 1 . 2 ]" 3
474 1 65 GLU H 1 65 GLU QG 4.000 . 4.500 2.373 1.980 2.931 . 0 0 "[ . 1 . 2 ]" 3
475 1 65 GLU QG 1 66 PHE H 6.000 . 6.500 4.073 2.342 4.374 . 0 0 "[ . 1 . 2 ]" 3
476 1 66 PHE HA 1 67 VAL H 5.000 . 5.500 3.510 3.489 3.557 . 0 0 "[ . 1 . 2 ]" 3
477 1 66 PHE H 1 67 VAL H 5.000 . 5.500 2.634 2.499 2.813 . 0 0 "[ . 1 . 2 ]" 3
478 1 66 PHE H 1 67 VAL QG 6.000 . 6.500 3.794 3.490 4.084 . 0 0 "[ . 1 . 2 ]" 3
479 1 66 PHE H 1 68 ARG H 6.000 . 6.500 4.205 4.008 4.518 . 0 0 "[ . 1 . 2 ]" 3
480 1 66 PHE H 1 69 MET ME 6.000 . 6.500 5.954 5.047 6.497 . 0 0 "[ . 1 . 2 ]" 3
481 1 66 PHE QB 1 67 VAL H 5.000 . 5.500 2.692 2.386 2.810 . 0 0 "[ . 1 . 2 ]" 3
482 1 66 PHE H 1 66 PHE QD 5.000 . 5.500 4.095 3.929 4.179 . 0 0 "[ . 1 . 2 ]" 3
483 1 66 PHE QD 1 67 VAL H 5.000 . 5.500 4.116 3.456 4.545 . 0 0 "[ . 1 . 2 ]" 3
484 1 66 PHE QE 1 67 VAL H 6.000 . 6.500 6.149 5.682 6.501 0.001 16 0 "[ . 1 . 2 ]" 3
485 1 67 VAL HA 1 68 ARG H 5.000 . 5.500 3.528 3.495 3.565 . 0 0 "[ . 1 . 2 ]" 3
486 1 67 VAL HA 1 70 MET H 5.000 . 5.500 3.574 3.160 4.146 . 0 0 "[ . 1 . 2 ]" 3
487 1 67 VAL H 1 67 VAL HB 4.000 . 4.500 2.772 2.600 3.616 . 0 0 "[ . 1 . 2 ]" 3
488 1 67 VAL H 1 68 ARG H 5.000 . 5.500 2.598 2.459 2.748 . 0 0 "[ . 1 . 2 ]" 3
489 1 67 VAL H 1 70 MET QB 6.000 . 6.500 5.021 4.572 5.409 . 0 0 "[ . 1 . 2 ]" 3
490 1 67 VAL H 1 67 VAL QG 3.000 . 3.500 2.055 1.847 2.212 . 0 0 "[ . 1 . 2 ]" 3
491 1 67 VAL QG 1 68 ARG H 5.000 . 5.500 3.036 1.968 3.381 . 0 0 "[ . 1 . 2 ]" 3
492 1 67 VAL QG 1 70 MET H 6.000 . 6.500 4.433 4.151 4.913 . 0 0 "[ . 1 . 2 ]" 3
493 1 67 VAL QG 1 71 VAL H 6.000 . 6.500 4.075 3.614 4.787 . 0 0 "[ . 1 . 2 ]" 3
494 1 68 ARG HA 1 69 MET H 6.000 . 6.500 3.523 3.490 3.560 . 0 0 "[ . 1 . 2 ]" 3
495 1 68 ARG HA 1 70 MET H 6.000 . 6.500 4.460 4.078 5.016 . 0 0 "[ . 1 . 2 ]" 3
496 1 68 ARG HA 1 71 VAL H 6.000 . 6.500 3.625 3.334 4.049 . 0 0 "[ . 1 . 2 ]" 3
497 1 68 ARG H 1 69 MET H 4.000 . 4.500 2.628 2.367 2.782 . 0 0 "[ . 1 . 2 ]" 3
498 1 68 ARG H 1 70 MET H 6.000 . 6.500 4.195 3.941 4.534 . 0 0 "[ . 1 . 2 ]" 3
499 1 68 ARG H 1 70 MET QB 5.000 . 5.500 5.022 4.574 5.503 0.003 6 0 "[ . 1 . 2 ]" 3
500 1 68 ARG H 1 71 VAL QG 6.000 . 6.500 4.395 3.814 5.281 . 0 0 "[ . 1 . 2 ]" 3
501 1 69 MET HA 1 70 MET H 6.000 . 6.500 3.532 3.495 3.572 . 0 0 "[ . 1 . 2 ]" 3
502 1 69 MET H 1 70 MET QB 5.000 . 5.500 4.387 4.114 4.587 . 0 0 "[ . 1 . 2 ]" 3
503 1 69 MET H 1 70 MET H 5.000 . 5.500 2.651 2.432 2.873 . 0 0 "[ . 1 . 2 ]" 3
504 1 69 MET QB 1 70 MET H 5.000 . 5.500 2.544 2.134 2.777 . 0 0 "[ . 1 . 2 ]" 3
505 1 69 MET QG 1 70 MET H 5.000 . 5.500 3.883 3.375 4.433 . 0 0 "[ . 1 . 2 ]" 3
506 1 70 MET H 1 71 VAL QG 5.000 . 5.500 3.852 3.489 4.290 . 0 0 "[ . 1 . 2 ]" 3
507 1 71 VAL HB 1 72 SER H 6.000 . 6.500 4.183 2.834 4.445 . 0 0 "[ . 1 . 2 ]" 3
508 1 71 VAL QG 1 72 SER H 5.000 . 5.500 3.328 2.048 3.740 . 0 0 "[ . 1 . 2 ]" 3
509 1 71 VAL QG 1 73 LYS H 6.000 . 6.500 4.796 4.015 5.747 . 0 0 "[ . 1 . 2 ]" 3
510 1 72 SER HA 1 73 LYS H 3.000 . 3.500 2.665 2.147 3.503 0.003 8 0 "[ . 1 . 2 ]" 3
511 1 72 SER H 1 73 LYS H 5.000 . 5.500 3.772 2.054 4.637 . 0 0 "[ . 1 . 2 ]" 3
512 1 72 SER QB 1 73 LYS H 5.000 . 5.500 3.136 1.975 3.978 . 0 0 "[ . 1 . 2 ]" 3
stop_
save_
save_distance_constraint_statistics_4
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 4
_Distance_constraint_stats_list.Constraint_count 128
_Distance_constraint_stats_list.Viol_count 3
_Distance_constraint_stats_list.Viol_total 0.704
_Distance_constraint_stats_list.Viol_max 0.018
_Distance_constraint_stats_list.Viol_rms 0.0004
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0000
_Distance_constraint_stats_list.Viol_average_violations_only 0.0112
_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 LYS 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 3 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 4 GLN 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 5 ASP 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 6 SER 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 7 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 8 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 9 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 10 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 11 ILE 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 12 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 13 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 14 PHE 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 15 LYS 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 16 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 17 PHE 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 18 ASP 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 19 ARG 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 20 ASP 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 21 GLY 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 22 ASN 0.034 0.018 16 0 "[ . 1 . 2 ]"
1 24 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 25 ILE 0.034 0.018 16 0 "[ . 1 . 2 ]"
1 26 SER 0.034 0.018 16 0 "[ . 1 . 2 ]"
1 27 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 28 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 29 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 30 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 31 ARG 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 32 HIS 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 33 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 34 MET 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 35 THR 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 36 ASN 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 37 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 38 GLY 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 39 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 40 LYS 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 41 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 42 THR 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 43 ASP 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 44 ASP 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 45 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 46 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 47 ASP 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 48 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 49 MET 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 50 ILE 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 51 ARG 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 52 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 53 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 54 ASP 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 55 ILE 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 56 ASP 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 57 GLY 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 58 ASP 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 59 GLY 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 60 HIS 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 61 ILE 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 62 ASN 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 63 TYR 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 64 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 65 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 66 PHE 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 67 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 68 ARG 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 69 MET 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 70 MET 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 71 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 72 SER 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 16 TYR 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 19 TYR 0.000 0.000 . 0 "[ . 1 . 2 ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 53 ALA MB 1 65 GLU H 6.000 . 6.500 5.077 4.707 5.827 . 0 0 "[ . 1 . 2 ]" 4
2 1 55 ILE H 1 56 ASP QB 5.000 . 5.500 3.369 2.228 4.048 . 0 0 "[ . 1 . 2 ]" 4
3 1 32 HIS H 1 34 MET QB 5.000 . 5.500 4.107 3.968 4.258 . 0 0 "[ . 1 . 2 ]" 4
4 1 10 LEU QD 1 67 VAL H 6.000 . 6.500 4.017 3.367 4.546 . 0 0 "[ . 1 . 2 ]" 4
5 1 48 GLU H 1 49 MET H 3.000 . 3.500 2.243 2.176 2.329 . 0 0 "[ . 1 . 2 ]" 4
6 1 49 MET QB 1 53 ALA H 6.000 . 6.500 3.985 2.009 4.396 . 0 0 "[ . 1 . 2 ]" 4
7 1 25 ILE H 1 26 SER H 5.000 . 5.500 2.765 2.184 3.584 . 0 0 "[ . 1 . 2 ]" 4
8 1 5 ASP H 1 7 GLU H 4.000 . 4.500 2.315 2.039 2.504 . 0 0 "[ . 1 . 2 ]" 4
9 1 61 ILE MD 1 66 PHE H 6.000 . 6.500 3.748 3.457 4.039 . 0 0 "[ . 1 . 2 ]" 4
10 1 31 ARG H 1 33 VAL H 6.000 . 6.500 3.661 3.411 3.928 . 0 0 "[ . 1 . 2 ]" 4
11 1 39 GLU QB 1 40 LYS H 3.000 . 3.500 3.081 2.386 3.401 . 0 0 "[ . 1 . 2 ]" 4
12 1 8 GLU QB 1 11 ILE H 6.000 . 6.500 4.220 4.038 4.371 . 0 0 "[ . 1 . 2 ]" 4
13 1 45 GLU HA 1 49 MET H 3.000 . 3.500 2.716 2.666 2.741 . 0 0 "[ . 1 . 2 ]" 4
14 1 54 ASP QB 1 56 ASP H 5.000 . 5.500 3.366 1.979 3.959 . 0 0 "[ . 1 . 2 ]" 4
15 1 48 GLU HA 1 50 ILE H 5.000 . 5.500 3.372 3.305 3.434 . 0 0 "[ . 1 . 2 ]" 4
16 1 27 ALA MB 1 30 LEU H 6.000 . 6.500 4.148 3.933 4.508 . 0 0 "[ . 1 . 2 ]" 4
17 1 48 GLU HA 1 52 GLU H 3.000 . 3.500 2.632 2.605 2.675 . 0 0 "[ . 1 . 2 ]" 4
18 1 45 GLU QG 1 46 VAL H 3.000 . 3.500 2.596 2.510 2.645 . 0 0 "[ . 1 . 2 ]" 4
19 1 26 SER QB 1 28 ALA H 3.000 . 3.500 2.441 2.195 2.688 . 0 0 "[ . 1 . 2 ]" 4
20 1 24 LEU QD 1 64 GLU H 6.000 . 6.500 5.338 4.560 5.854 . 0 0 "[ . 1 . 2 ]" 4
21 1 67 VAL HB 1 68 ARG H 3.000 . 3.500 2.118 1.939 2.486 . 0 0 "[ . 1 . 2 ]" 4
22 1 35 THR H 1 38 GLY H 5.000 . 5.500 2.576 2.443 2.654 . 0 0 "[ . 1 . 2 ]" 4
23 1 8 GLU H 1 10 LEU QD 6.000 . 6.500 3.634 3.504 3.943 . 0 0 "[ . 1 . 2 ]" 4
24 1 45 GLU HA 1 48 GLU H 3.000 . 3.500 2.757 2.724 2.828 . 0 0 "[ . 1 . 2 ]" 4
25 1 54 ASP QB 1 55 ILE H 5.000 . 5.500 2.439 1.964 3.231 . 0 0 "[ . 1 . 2 ]" 4
26 1 9 GLU H 1 10 LEU QD 5.000 . 5.500 4.105 3.638 4.429 . 0 0 "[ . 1 . 2 ]" 4
27 1 27 ALA H 1 50 ILE MD 5.000 . 5.500 3.269 2.720 3.658 . 0 0 "[ . 1 . 2 ]" 4
28 1 43 ASP QB 1 46 VAL H 5.000 . 5.500 3.883 3.750 4.099 . 0 0 "[ . 1 . 2 ]" 4
29 1 12 GLU HA 1 16 VAL H 4.000 . 4.500 3.184 3.107 3.237 . 0 0 "[ . 1 . 2 ]" 4
30 1 58 ASP H 1 59 GLY H 5.000 . 5.500 1.976 1.840 2.268 . 0 0 "[ . 1 . 2 ]" 4
31 1 17 PHE QB 1 19 ARG H 6.000 . 6.500 3.300 2.419 4.033 . 0 0 "[ . 1 . 2 ]" 4
32 1 63 TYR QB 1 64 GLU H 3.000 . 3.500 2.057 1.976 2.240 . 0 0 "[ . 1 . 2 ]" 4
33 1 7 GLU HA 1 11 ILE H 6.000 . 6.500 3.514 3.228 3.812 . 0 0 "[ . 1 . 2 ]" 4
34 1 47 ASP QB 1 51 ARG H 6.000 . 6.500 4.116 3.854 4.393 . 0 0 "[ . 1 . 2 ]" 4
35 1 26 SER H 1 30 LEU H 6.000 . 6.500 4.076 3.611 4.456 . 0 0 "[ . 1 . 2 ]" 4
36 1 50 ILE QG 1 52 GLU H 5.000 . 5.500 5.226 4.871 5.500 . 0 0 "[ . 1 . 2 ]" 4
37 1 7 GLU QG 1 9 GLU H 3.000 . 3.500 2.503 1.971 3.405 . 0 0 "[ . 1 . 2 ]" 4
38 1 2 LYS HA 1 5 ASP H 4.000 . 4.500 3.345 3.077 3.496 . 0 0 "[ . 1 . 2 ]" 4
39 1 11 ILE HA 1 14 PHE H 6.000 . 6.500 3.103 3.021 3.214 . 0 0 "[ . 1 . 2 ]" 4
40 1 53 ALA MB 1 69 MET H 6.000 . 6.500 3.790 3.475 4.017 . 0 0 "[ . 1 . 2 ]" 4
41 1 54 ASP QB 1 58 ASP H 6.000 . 6.500 3.566 2.703 4.394 . 0 0 "[ . 1 . 2 ]" 4
42 1 28 ALA HA 1 31 ARG H 5.000 . 5.500 3.475 3.223 3.708 . 0 0 "[ . 1 . 2 ]" 4
43 1 62 ASN QB 1 65 GLU H 6.000 . 6.500 2.651 2.415 2.889 . 0 0 "[ . 1 . 2 ]" 4
44 1 41 LEU QB 1 49 MET H 5.000 . 5.500 3.800 3.629 4.101 . 0 0 "[ . 1 . 2 ]" 4
45 1 22 ASN QD 1 24 LEU QB 6.000 . 6.500 2.715 1.856 3.905 . 0 0 "[ . 1 . 2 ]" 4
46 1 19 ARG HA 1 20 ASP H 5.000 . 5.500 3.371 3.338 3.418 . 0 0 "[ . 1 . 2 ]" 4
47 1 43 ASP H 1 45 GLU QG 6.000 . 6.500 5.176 4.791 5.429 . 0 0 "[ . 1 . 2 ]" 4
48 1 19 ARG QB 1 20 ASP H 5.000 . 5.500 2.682 1.975 2.907 . 0 0 "[ . 1 . 2 ]" 4
49 1 25 ILE QG 1 26 SER H 6.000 . 6.500 3.886 3.666 4.174 . 0 0 "[ . 1 . 2 ]" 4
50 1 24 LEU QD 1 25 ILE H 5.000 . 5.500 3.443 2.675 3.915 . 0 0 "[ . 1 . 2 ]" 4
51 1 22 ASN QD 1 25 ILE HA 5.000 . 5.500 4.831 3.950 5.518 0.018 16 0 "[ . 1 . 2 ]" 4
52 1 13 ALA H 2 16 TYR QE 6.000 . 6.500 3.870 3.413 4.170 . 0 0 "[ . 1 . 2 ]" 4
53 1 37 LEU QB 1 38 GLY H 6.000 . 6.500 3.044 3.025 3.059 . 0 0 "[ . 1 . 2 ]" 4
54 1 67 VAL HB 1 69 MET H 5.000 . 5.500 2.674 2.469 2.867 . 0 0 "[ . 1 . 2 ]" 4
55 1 49 MET H 1 50 ILE MD 6.000 . 6.500 4.502 4.322 4.731 . 0 0 "[ . 1 . 2 ]" 4
56 1 3 GLU H 1 4 GLN H 6.000 . 6.500 2.320 1.949 3.253 . 0 0 "[ . 1 . 2 ]" 4
57 1 8 GLU H 1 10 LEU H 4.000 . 4.500 2.509 2.390 2.649 . 0 0 "[ . 1 . 2 ]" 4
58 1 36 ASN HA 1 38 GLY H 6.000 . 6.500 3.216 3.178 3.248 . 0 0 "[ . 1 . 2 ]" 4
59 1 34 MET HA 1 36 ASN H 4.000 . 4.500 3.042 2.078 3.687 . 0 0 "[ . 1 . 2 ]" 4
60 1 16 VAL H 1 16 VAL HB 3.000 . 3.500 2.517 2.368 3.174 . 0 0 "[ . 1 . 2 ]" 4
61 1 7 GLU H 1 7 GLU QG 4.000 . 4.500 2.824 1.975 3.362 . 0 0 "[ . 1 . 2 ]" 4
62 1 49 MET QB 1 51 ARG H 5.000 . 5.500 4.285 3.680 4.605 . 0 0 "[ . 1 . 2 ]" 4
63 1 15 LYS QB 1 16 VAL H 4.000 . 4.500 2.593 2.281 2.837 . 0 0 "[ . 1 . 2 ]" 4
64 1 8 GLU H 1 8 GLU HA 3.000 . 3.500 2.825 2.721 2.882 . 0 0 "[ . 1 . 2 ]" 4
65 1 70 MET QB 1 71 VAL H 6.000 . 6.500 2.594 2.195 2.856 . 0 0 "[ . 1 . 2 ]" 4
66 1 51 ARG HA 1 54 ASP H 4.000 . 4.500 3.283 3.059 3.424 . 0 0 "[ . 1 . 2 ]" 4
67 1 7 GLU QB 1 8 GLU H 3.000 . 3.500 2.380 2.143 2.706 . 0 0 "[ . 1 . 2 ]" 4
68 1 20 ASP H 1 21 GLY H 3.000 . 3.500 2.289 2.122 2.367 . 0 0 "[ . 1 . 2 ]" 4
69 1 55 ILE H 1 56 ASP H 3.000 . 3.500 2.365 2.241 2.601 . 0 0 "[ . 1 . 2 ]" 4
70 1 10 LEU H 1 12 GLU H 5.000 . 5.500 2.546 2.449 2.668 . 0 0 "[ . 1 . 2 ]" 4
71 1 19 ARG QB 1 21 GLY H 6.000 . 6.500 4.271 3.997 4.349 . 0 0 "[ . 1 . 2 ]" 4
72 1 27 ALA MB 1 28 ALA H 3.000 . 3.500 2.067 1.960 2.139 . 0 0 "[ . 1 . 2 ]" 4
73 1 10 LEU QB 1 67 VAL H 6.000 . 6.500 4.706 4.456 4.998 . 0 0 "[ . 1 . 2 ]" 4
74 1 24 LEU H 1 24 LEU HG 4.000 . 4.500 3.300 2.018 4.183 . 0 0 "[ . 1 . 2 ]" 4
75 1 55 ILE QG 1 65 GLU H 6.000 . 6.500 4.977 4.124 5.932 . 0 0 "[ . 1 . 2 ]" 4
76 1 43 ASP H 1 45 GLU QB 6.000 . 6.500 4.630 4.475 4.876 . 0 0 "[ . 1 . 2 ]" 4
77 1 9 GLU QB 1 10 LEU H 4.000 . 4.500 2.320 2.176 2.487 . 0 0 "[ . 1 . 2 ]" 4
78 1 30 LEU QB 1 32 HIS H 5.000 . 5.500 2.766 1.953 3.851 . 0 0 "[ . 1 . 2 ]" 4
79 1 10 LEU H 1 11 ILE H 5.000 . 5.500 2.672 2.369 2.751 . 0 0 "[ . 1 . 2 ]" 4
80 1 50 ILE H 1 51 ARG H 3.000 . 3.500 2.344 2.245 2.428 . 0 0 "[ . 1 . 2 ]" 4
81 1 39 GLU H 1 40 LYS H 5.000 . 5.500 3.792 3.630 3.925 . 0 0 "[ . 1 . 2 ]" 4
82 1 27 ALA MB 1 31 ARG H 6.000 . 6.500 4.245 4.018 4.502 . 0 0 "[ . 1 . 2 ]" 4
83 1 35 THR MG 1 41 LEU H 6.000 . 6.500 3.768 2.438 4.461 . 0 0 "[ . 1 . 2 ]" 4
84 1 27 ALA MB 1 47 ASP H 6.000 . 6.500 3.908 3.500 4.340 . 0 0 "[ . 1 . 2 ]" 4
85 1 62 ASN QB 1 64 GLU H 5.000 . 5.500 2.657 2.330 3.110 . 0 0 "[ . 1 . 2 ]" 4
86 1 25 ILE HA 1 26 SER H 4.000 . 4.500 2.163 2.133 2.228 . 0 0 "[ . 1 . 2 ]" 4
87 1 9 GLU H 1 10 LEU HG 5.000 . 5.500 3.831 3.640 4.021 . 0 0 "[ . 1 . 2 ]" 4
88 1 11 ILE HB 1 12 GLU H 5.000 . 5.500 3.328 2.538 3.476 . 0 0 "[ . 1 . 2 ]" 4
89 1 24 LEU QD 1 56 ASP H 5.000 . 5.500 3.551 3.299 3.792 . 0 0 "[ . 1 . 2 ]" 4
90 1 25 ILE MG 1 27 ALA H 6.000 . 6.500 4.375 4.100 4.630 . 0 0 "[ . 1 . 2 ]" 4
91 1 31 ARG QB 1 41 LEU H 6.000 . 6.500 4.398 3.972 4.986 . 0 0 "[ . 1 . 2 ]" 4
92 1 10 LEU QB 1 13 ALA H 5.000 . 5.500 3.979 3.839 4.070 . 0 0 "[ . 1 . 2 ]" 4
93 1 48 GLU QB 1 51 ARG H 4.000 . 4.500 2.579 2.417 2.743 . 0 0 "[ . 1 . 2 ]" 4
94 1 7 GLU QG 1 8 GLU H 3.000 . 3.500 2.068 1.750 2.682 . 0 0 "[ . 1 . 2 ]" 4
95 1 62 ASN QD 1 63 TYR QB 6.000 . 6.500 3.684 2.726 4.499 . 0 0 "[ . 1 . 2 ]" 4
96 1 18 ASP QB 1 19 ARG H 6.000 . 6.500 3.750 3.666 3.848 . 0 0 "[ . 1 . 2 ]" 4
97 1 68 ARG H 1 70 MET H 6.000 . 6.500 3.951 3.788 4.174 . 0 0 "[ . 1 . 2 ]" 4
98 1 14 PHE QB 1 15 LYS H 6.000 . 6.500 2.617 2.232 2.797 . 0 0 "[ . 1 . 2 ]" 4
99 1 18 ASP HA 1 21 GLY H 5.000 . 5.500 3.218 3.083 3.291 . 0 0 "[ . 1 . 2 ]" 4
100 1 7 GLU HA 1 10 LEU H 4.000 . 4.500 3.226 2.873 3.339 . 0 0 "[ . 1 . 2 ]" 4
101 1 32 HIS H 1 35 THR H 5.000 . 5.500 3.936 3.909 3.998 . 0 0 "[ . 1 . 2 ]" 4
102 1 64 GLU QB 1 68 ARG H 5.000 . 5.500 4.188 3.995 4.289 . 0 0 "[ . 1 . 2 ]" 4
103 1 50 ILE QG 1 51 ARG H 5.000 . 5.500 3.825 3.758 3.918 . 0 0 "[ . 1 . 2 ]" 4
104 1 24 LEU QB 1 60 HIS H 6.000 . 6.500 4.442 4.108 4.763 . 0 0 "[ . 1 . 2 ]" 4
105 1 28 ALA H 1 29 GLU QB 5.000 . 5.500 4.494 4.191 4.723 . 0 0 "[ . 1 . 2 ]" 4
106 1 36 ASN H 1 37 LEU QB 5.000 . 5.500 4.173 4.027 4.309 . 0 0 "[ . 1 . 2 ]" 4
107 1 41 LEU H 1 42 THR H 5.000 . 5.500 3.841 3.554 4.140 . 0 0 "[ . 1 . 2 ]" 4
108 1 11 ILE QG 1 12 GLU H 5.000 . 5.500 2.028 1.896 3.306 . 0 0 "[ . 1 . 2 ]" 4
109 1 3 GLU QG 1 4 GLN H 4.000 . 4.500 2.238 1.752 3.685 . 0 0 "[ . 1 . 2 ]" 4
110 1 30 LEU QD 1 49 MET H 6.000 . 6.500 4.453 4.008 4.784 . 0 0 "[ . 1 . 2 ]" 4
111 1 5 ASP H 1 10 LEU QD 6.000 . 6.500 4.603 4.181 5.145 . 0 0 "[ . 1 . 2 ]" 4
112 1 63 TYR QB 1 67 VAL H 6.000 . 6.500 4.279 4.152 4.469 . 0 0 "[ . 1 . 2 ]" 4
113 1 55 ILE H 1 57 GLY H 4.000 . 4.500 2.553 2.271 2.737 . 0 0 "[ . 1 . 2 ]" 4
114 1 16 VAL H 1 18 ASP H 6.000 . 6.500 3.877 3.736 4.040 . 0 0 "[ . 1 . 2 ]" 4
115 1 57 GLY QA 1 58 ASP H 4.000 . 4.500 2.715 2.629 2.811 . 0 0 "[ . 1 . 2 ]" 4
116 1 7 GLU QB 1 9 GLU H 4.000 . 4.500 3.266 2.685 3.552 . 0 0 "[ . 1 . 2 ]" 4
117 1 45 GLU QB 1 46 VAL H 5.000 . 5.500 2.676 2.455 2.855 . 0 0 "[ . 1 . 2 ]" 4
118 1 30 LEU QB 1 31 ARG H 5.000 . 5.500 2.588 2.241 3.156 . 0 0 "[ . 1 . 2 ]" 4
119 1 37 LEU H 1 37 LEU QB 3.000 . 3.500 2.072 2.029 2.131 . 0 0 "[ . 1 . 2 ]" 4
120 1 70 MET HA 1 72 SER H 5.000 . 5.500 2.912 2.739 3.395 . 0 0 "[ . 1 . 2 ]" 4
121 1 8 GLU H 1 10 LEU HG 6.000 . 6.500 3.795 3.544 3.958 . 0 0 "[ . 1 . 2 ]" 4
122 1 7 GLU HA 1 10 LEU H 5.000 . 5.500 3.286 2.886 3.437 . 0 0 "[ . 1 . 2 ]" 4
123 1 26 SER H 1 29 GLU H 5.000 . 5.500 3.354 3.178 3.609 . 0 0 "[ . 1 . 2 ]" 4
124 1 18 ASP QB 1 20 ASP H 6.000 . 6.500 3.575 2.800 3.825 . 0 0 "[ . 1 . 2 ]" 4
125 1 26 SER H 1 29 GLU QB 5.000 . 5.500 2.137 1.802 2.565 . 0 0 "[ . 1 . 2 ]" 4
126 1 29 GLU HA 1 32 HIS H 5.000 . 5.500 3.404 3.160 3.585 . 0 0 "[ . 1 . 2 ]" 4
127 1 4 GLN QG 1 6 SER H 5.000 . 5.500 3.969 3.607 4.512 . 0 0 "[ . 1 . 2 ]" 4
128 1 54 ASP H 1 55 ILE MD 6.000 . 6.500 5.389 4.624 5.720 . 0 0 "[ . 1 . 2 ]" 4
stop_
save_
save_distance_constraint_statistics_5
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 5
_Distance_constraint_stats_list.Constraint_count 150
_Distance_constraint_stats_list.Viol_count 21
_Distance_constraint_stats_list.Viol_total 9.386
_Distance_constraint_stats_list.Viol_max 0.061
_Distance_constraint_stats_list.Viol_rms 0.0025
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0001
_Distance_constraint_stats_list.Viol_average_violations_only 0.0213
_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
2 4 GLN 0.004 0.004 8 0 "[ . 1 . 2 ]"
2 5 GLU 0.020 0.017 20 0 "[ . 1 . 2 ]"
2 6 GLU 0.024 0.017 20 0 "[ . 1 . 2 ]"
2 7 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 8 SER 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 9 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 10 ILE 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 11 VAL 0.121 0.061 6 0 "[ . 1 . 2 ]"
2 12 ILE 0.121 0.061 6 0 "[ . 1 . 2 ]"
2 13 GLN 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 14 ARG 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 15 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 16 TYR 0.001 0.001 7 0 "[ . 1 . 2 ]"
2 17 ARG 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 18 ARG 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 19 TYR 0.000 0.000 9 0 "[ . 1 . 2 ]"
2 20 LEU 0.001 0.001 7 0 "[ . 1 . 2 ]"
2 21 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 22 LYS 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 23 GLN 0.301 0.057 4 0 "[ . 1 . 2 ]"
2 24 LYS 0.301 0.057 4 0 "[ . 1 . 2 ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 2 4 GLN HA 2 5 GLU H 4.000 . 4.500 2.794 2.239 3.571 . 0 0 "[ . 1 . 2 ]" 5
2 2 4 GLN HA 2 6 GLU QB 5.000 . 5.500 4.942 4.105 5.504 0.004 8 0 "[ . 1 . 2 ]" 5
3 2 4 GLN QB 2 5 GLU HA 5.000 . 5.500 4.253 3.694 4.658 . 0 0 "[ . 1 . 2 ]" 5
4 2 4 GLN QB 2 5 GLU H 5.000 . 5.500 3.422 2.233 4.032 . 0 0 "[ . 1 . 2 ]" 5
5 2 4 GLN QB 2 5 GLU QB 5.000 . 5.500 4.853 3.773 5.433 . 0 0 "[ . 1 . 2 ]" 5
6 2 4 GLN QB 2 6 GLU H 6.000 . 6.500 4.470 2.483 5.317 . 0 0 "[ . 1 . 2 ]" 5
7 2 5 GLU HA 2 6 GLU H 4.000 . 4.500 3.514 3.486 3.556 . 0 0 "[ . 1 . 2 ]" 5
8 2 5 GLU QB 2 8 SER QB 6.000 . 6.500 4.705 3.845 6.173 . 0 0 "[ . 1 . 2 ]" 5
9 2 5 GLU QG 2 6 GLU HA 5.000 . 5.500 4.498 3.479 5.517 0.017 20 0 "[ . 1 . 2 ]" 5
10 2 5 GLU QG 2 6 GLU H 6.000 . 6.500 3.542 1.985 4.534 . 0 0 "[ . 1 . 2 ]" 5
11 2 6 GLU HA 2 7 VAL H 5.000 . 5.500 3.539 3.491 3.571 . 0 0 "[ . 1 . 2 ]" 5
12 2 6 GLU H 2 7 VAL H 5.000 . 5.500 2.581 2.364 2.891 . 0 0 "[ . 1 . 2 ]" 5
13 2 6 GLU QB 2 7 VAL HA 5.000 . 5.500 3.840 3.688 4.406 . 0 0 "[ . 1 . 2 ]" 5
14 2 6 GLU QB 2 7 VAL H 4.000 . 4.500 2.657 2.304 3.524 . 0 0 "[ . 1 . 2 ]" 5
15 2 6 GLU QG 2 7 VAL H 5.000 . 5.500 4.081 1.978 4.501 . 0 0 "[ . 1 . 2 ]" 5
16 2 7 VAL HA 2 8 SER H 5.000 . 5.500 3.510 3.481 3.558 . 0 0 "[ . 1 . 2 ]" 5
17 2 7 VAL HA 2 10 ILE QG 5.000 . 5.500 2.689 1.902 3.818 . 0 0 "[ . 1 . 2 ]" 5
18 2 7 VAL HB 2 8 SER H 5.000 . 5.500 3.057 2.430 4.038 . 0 0 "[ . 1 . 2 ]" 5
19 2 7 VAL HB 2 9 ALA H 6.000 . 6.500 5.121 4.565 5.785 . 0 0 "[ . 1 . 2 ]" 5
20 2 7 VAL QG 2 8 SER H 5.000 . 5.500 2.960 1.948 3.399 . 0 0 "[ . 1 . 2 ]" 5
21 2 7 VAL H 2 7 VAL QG 4.000 . 4.500 2.021 1.880 2.239 . 0 0 "[ . 1 . 2 ]" 5
22 2 7 VAL H 2 8 SER H 6.000 . 6.500 2.656 2.446 2.771 . 0 0 "[ . 1 . 2 ]" 5
23 2 7 VAL H 2 10 ILE QG 5.000 . 5.500 4.481 3.892 5.073 . 0 0 "[ . 1 . 2 ]" 5
24 2 8 SER HA 2 9 ALA H 6.000 . 6.500 3.474 3.319 3.519 . 0 0 "[ . 1 . 2 ]" 5
25 2 8 SER HA 2 9 ALA MB 6.000 . 6.500 4.982 4.895 5.014 . 0 0 "[ . 1 . 2 ]" 5
26 2 8 SER HA 2 11 VAL H 6.000 . 6.500 3.557 3.306 3.871 . 0 0 "[ . 1 . 2 ]" 5
27 2 8 SER HA 2 11 VAL QG 5.000 . 5.500 2.136 1.802 2.545 . 0 0 "[ . 1 . 2 ]" 5
28 2 8 SER HA 2 12 ILE H 6.000 . 6.500 4.667 4.375 4.984 . 0 0 "[ . 1 . 2 ]" 5
29 2 8 SER H 2 9 ALA H 6.000 . 6.500 2.497 2.297 2.672 . 0 0 "[ . 1 . 2 ]" 5
30 2 8 SER QB 2 9 ALA H 6.000 . 6.500 3.034 2.772 3.826 . 0 0 "[ . 1 . 2 ]" 5
31 2 8 SER QB 2 12 ILE MD 6.000 . 6.500 3.794 2.929 5.234 . 0 0 "[ . 1 . 2 ]" 5
32 2 9 ALA HA 2 10 ILE H 6.000 . 6.500 3.506 3.475 3.559 . 0 0 "[ . 1 . 2 ]" 5
33 2 9 ALA HA 2 12 ILE H 6.000 . 6.500 3.643 3.478 3.985 . 0 0 "[ . 1 . 2 ]" 5
34 2 9 ALA HA 2 12 ILE QG 6.000 . 6.500 3.579 2.912 4.421 . 0 0 "[ . 1 . 2 ]" 5
35 2 9 ALA HA 2 12 ILE MD 6.000 . 6.500 3.292 1.934 5.158 . 0 0 "[ . 1 . 2 ]" 5
36 2 9 ALA H 2 10 ILE H 6.000 . 6.500 2.481 2.307 2.689 . 0 0 "[ . 1 . 2 ]" 5
37 2 9 ALA MB 2 10 ILE H 5.000 . 5.500 2.748 2.566 2.876 . 0 0 "[ . 1 . 2 ]" 5
38 2 9 ALA MB 2 13 GLN H 6.000 . 6.500 4.715 4.450 5.133 . 0 0 "[ . 1 . 2 ]" 5
39 2 9 ALA MB 2 13 GLN QE 5.000 . 5.500 3.659 1.949 4.930 . 0 0 "[ . 1 . 2 ]" 5
40 2 10 ILE HA 2 11 VAL H 6.000 . 6.500 3.516 3.481 3.554 . 0 0 "[ . 1 . 2 ]" 5
41 2 10 ILE HA 2 12 ILE QG 6.000 . 6.500 5.866 5.549 6.380 . 0 0 "[ . 1 . 2 ]" 5
42 2 10 ILE HA 2 13 GLN H 6.000 . 6.500 3.329 3.046 3.576 . 0 0 "[ . 1 . 2 ]" 5
43 2 10 ILE HA 2 13 GLN QB 5.000 . 5.500 2.489 2.120 2.839 . 0 0 "[ . 1 . 2 ]" 5
44 2 10 ILE HA 2 13 GLN QE 6.000 . 6.500 4.478 3.250 5.737 . 0 0 "[ . 1 . 2 ]" 5
45 2 10 ILE HA 2 14 ARG H 6.000 . 6.500 3.821 3.266 4.577 . 0 0 "[ . 1 . 2 ]" 5
46 2 10 ILE HB 2 11 VAL H 5.000 . 5.500 3.008 2.478 3.871 . 0 0 "[ . 1 . 2 ]" 5
47 2 10 ILE HB 2 12 ILE H 6.000 . 6.500 5.227 4.896 5.755 . 0 0 "[ . 1 . 2 ]" 5
48 2 10 ILE H 2 11 VAL H 6.000 . 6.500 2.549 2.354 2.706 . 0 0 "[ . 1 . 2 ]" 5
49 2 10 ILE H 2 12 ILE QG 6.000 . 6.500 5.248 4.895 6.103 . 0 0 "[ . 1 . 2 ]" 5
50 2 10 ILE H 2 10 ILE MD 5.000 . 5.500 3.289 2.921 3.862 . 0 0 "[ . 1 . 2 ]" 5
51 2 11 VAL HA 2 12 ILE HB 6.000 . 6.500 5.969 5.875 6.018 . 0 0 "[ . 1 . 2 ]" 5
52 2 11 VAL HA 2 12 ILE H 6.000 . 6.500 3.524 3.488 3.563 . 0 0 "[ . 1 . 2 ]" 5
53 2 11 VAL HA 2 14 ARG H 6.000 . 6.500 3.723 3.337 4.058 . 0 0 "[ . 1 . 2 ]" 5
54 2 11 VAL HA 2 14 ARG QB 6.000 . 6.500 3.055 2.641 3.976 . 0 0 "[ . 1 . 2 ]" 5
55 2 11 VAL HA 2 15 ALA H 6.000 . 6.500 4.249 3.842 4.731 . 0 0 "[ . 1 . 2 ]" 5
56 2 11 VAL HB 2 12 ILE HA 5.000 . 5.500 4.391 4.171 5.561 0.061 6 0 "[ . 1 . 2 ]" 5
57 2 11 VAL HB 2 12 ILE H 5.000 . 5.500 3.074 2.362 3.852 . 0 0 "[ . 1 . 2 ]" 5
58 2 11 VAL H 2 12 ILE H 6.000 . 6.500 2.677 2.473 2.821 . 0 0 "[ . 1 . 2 ]" 5
59 2 11 VAL H 2 12 ILE QG 6.000 . 6.500 4.063 3.803 4.477 . 0 0 "[ . 1 . 2 ]" 5
60 2 11 VAL H 2 13 GLN H 6.000 . 6.500 4.066 3.888 4.469 . 0 0 "[ . 1 . 2 ]" 5
61 2 11 VAL QG 2 12 ILE H 5.000 . 5.500 2.796 1.885 3.401 . 0 0 "[ . 1 . 2 ]" 5
62 2 12 ILE HA 2 12 ILE MG 3.000 . 3.500 2.292 2.198 2.388 . 0 0 "[ . 1 . 2 ]" 5
63 2 12 ILE HA 2 14 ARG H 6.000 . 6.500 4.402 4.016 4.730 . 0 0 "[ . 1 . 2 ]" 5
64 2 12 ILE HB 2 14 ARG H 6.000 . 6.500 5.067 4.808 5.306 . 0 0 "[ . 1 . 2 ]" 5
65 2 12 ILE HB 2 15 ALA H 6.000 . 6.500 5.634 5.401 5.860 . 0 0 "[ . 1 . 2 ]" 5
66 2 12 ILE H 2 13 GLN H 5.000 . 5.500 2.470 2.281 2.761 . 0 0 "[ . 1 . 2 ]" 5
67 2 12 ILE H 2 15 ALA H 6.000 . 6.500 4.792 4.632 5.138 . 0 0 "[ . 1 . 2 ]" 5
68 2 12 ILE MD 2 12 ILE MG 3.000 . 3.500 2.191 1.741 2.674 . 0 0 "[ . 1 . 2 ]" 5
69 2 12 ILE MG 2 13 GLN QE 6.000 . 6.500 5.248 3.227 6.379 . 0 0 "[ . 1 . 2 ]" 5
70 2 13 GLN HA 2 14 ARG H 6.000 . 6.500 3.519 3.491 3.562 . 0 0 "[ . 1 . 2 ]" 5
71 2 13 GLN HA 2 15 ALA H 6.000 . 6.500 4.395 4.074 4.863 . 0 0 "[ . 1 . 2 ]" 5
72 2 13 GLN H 2 15 ALA MB 6.000 . 6.500 4.804 4.484 5.137 . 0 0 "[ . 1 . 2 ]" 5
73 2 13 GLN QB 2 14 ARG H 5.000 . 5.500 2.720 2.391 2.902 . 0 0 "[ . 1 . 2 ]" 5
74 2 13 GLN QG 2 14 ARG H 6.000 . 6.500 4.336 3.885 4.581 . 0 0 "[ . 1 . 2 ]" 5
75 2 14 ARG HA 2 15 ALA H 6.000 . 6.500 3.522 3.490 3.561 . 0 0 "[ . 1 . 2 ]" 5
76 2 14 ARG H 2 15 ALA H 5.000 . 5.500 2.591 2.412 2.743 . 0 0 "[ . 1 . 2 ]" 5
77 2 14 ARG H 2 15 ALA MB 6.000 . 6.500 4.219 4.020 4.349 . 0 0 "[ . 1 . 2 ]" 5
78 2 14 ARG QB 2 15 ALA H 5.000 . 5.500 2.761 2.385 3.539 . 0 0 "[ . 1 . 2 ]" 5
79 2 14 ARG QB 2 15 ALA MB 5.000 . 5.500 3.931 3.703 4.618 . 0 0 "[ . 1 . 2 ]" 5
80 2 15 ALA H 2 16 TYR QB 5.000 . 5.500 4.472 4.353 4.612 . 0 0 "[ . 1 . 2 ]" 5
81 2 15 ALA H 2 17 ARG H 6.000 . 6.500 3.952 3.807 4.087 . 0 0 "[ . 1 . 2 ]" 5
82 2 15 ALA MB 2 16 TYR HA 5.000 . 5.500 3.798 3.700 3.901 . 0 0 "[ . 1 . 2 ]" 5
83 2 15 ALA MB 2 17 ARG H 6.000 . 6.500 4.389 4.129 4.525 . 0 0 "[ . 1 . 2 ]" 5
84 2 16 TYR HA 2 16 TYR QE 5.000 . 5.500 4.323 4.222 4.416 . 0 0 "[ . 1 . 2 ]" 5
85 2 16 TYR HA 2 19 TYR H 6.000 . 6.500 3.150 3.004 3.334 . 0 0 "[ . 1 . 2 ]" 5
86 2 16 TYR HA 2 19 TYR QB 6.000 . 6.500 2.525 2.290 2.744 . 0 0 "[ . 1 . 2 ]" 5
87 2 16 TYR HA 2 19 TYR QD 5.000 . 5.500 4.344 3.916 4.635 . 0 0 "[ . 1 . 2 ]" 5
88 2 16 TYR H 2 17 ARG H 5.000 . 5.500 2.481 2.284 2.651 . 0 0 "[ . 1 . 2 ]" 5
89 2 16 TYR H 2 17 ARG QB 6.000 . 6.500 4.183 3.971 4.430 . 0 0 "[ . 1 . 2 ]" 5
90 2 16 TYR QB 2 17 ARG H 6.000 . 6.500 2.818 2.758 2.874 . 0 0 "[ . 1 . 2 ]" 5
91 2 16 TYR QB 2 19 TYR QD 6.000 . 6.500 5.387 4.948 5.756 . 0 0 "[ . 1 . 2 ]" 5
92 2 16 TYR H 2 16 TYR QD 5.000 . 5.500 4.160 4.051 4.231 . 0 0 "[ . 1 . 2 ]" 5
93 2 16 TYR QD 2 19 TYR HA 6.000 . 6.500 5.671 5.318 5.983 . 0 0 "[ . 1 . 2 ]" 5
94 2 16 TYR QD 2 19 TYR QD 5.000 . 5.500 3.561 2.500 4.205 . 0 0 "[ . 1 . 2 ]" 5
95 2 16 TYR QD 2 20 LEU H 6.000 . 6.500 4.761 3.984 5.287 . 0 0 "[ . 1 . 2 ]" 5
96 2 16 TYR QD 2 20 LEU QB 5.000 . 5.500 4.742 3.716 5.444 . 0 0 "[ . 1 . 2 ]" 5
97 2 16 TYR QD 2 20 LEU QD 5.000 . 5.500 3.170 2.521 3.984 . 0 0 "[ . 1 . 2 ]" 5
98 2 16 TYR QE 2 19 TYR HA 6.000 . 6.500 6.287 5.925 6.500 0.000 9 0 "[ . 1 . 2 ]" 5
99 2 16 TYR QE 2 19 TYR QD 5.000 . 5.500 2.761 2.022 3.638 . 0 0 "[ . 1 . 2 ]" 5
100 2 16 TYR QE 2 20 LEU HA 6.000 . 6.500 5.531 4.696 6.256 . 0 0 "[ . 1 . 2 ]" 5
101 2 16 TYR QE 2 20 LEU H 6.000 . 6.500 5.225 4.376 5.792 . 0 0 "[ . 1 . 2 ]" 5
102 2 16 TYR QE 2 20 LEU QB 5.000 . 5.500 4.727 3.520 5.501 0.001 7 0 "[ . 1 . 2 ]" 5
103 2 16 TYR QE 2 20 LEU QD 4.000 . 4.500 2.550 2.069 2.929 . 0 0 "[ . 1 . 2 ]" 5
104 2 17 ARG HA 2 18 ARG H 5.000 . 5.500 3.519 3.485 3.559 . 0 0 "[ . 1 . 2 ]" 5
105 2 17 ARG HA 2 20 LEU QB 5.000 . 5.500 3.336 2.842 3.775 . 0 0 "[ . 1 . 2 ]" 5
106 2 17 ARG H 2 18 ARG HA 6.000 . 6.500 5.322 5.274 5.382 . 0 0 "[ . 1 . 2 ]" 5
107 2 17 ARG H 2 18 ARG QB 5.000 . 5.500 4.555 4.360 4.928 . 0 0 "[ . 1 . 2 ]" 5
108 2 17 ARG H 2 19 TYR QB 6.000 . 6.500 4.835 4.591 5.008 . 0 0 "[ . 1 . 2 ]" 5
109 2 17 ARG QG 2 20 LEU QD 6.000 . 6.500 4.422 3.391 5.343 . 0 0 "[ . 1 . 2 ]" 5
110 2 17 ARG QG 2 21 LEU H 6.000 . 6.500 5.041 4.318 6.119 . 0 0 "[ . 1 . 2 ]" 5
111 2 18 ARG HA 2 20 LEU H 5.000 . 5.500 4.278 3.907 4.811 . 0 0 "[ . 1 . 2 ]" 5
112 2 18 ARG HA 2 20 LEU QB 6.000 . 6.500 5.131 4.892 5.506 . 0 0 "[ . 1 . 2 ]" 5
113 2 18 ARG HA 2 21 LEU H 6.000 . 6.500 3.326 3.031 3.571 . 0 0 "[ . 1 . 2 ]" 5
114 2 18 ARG H 2 19 TYR H 6.000 . 6.500 2.469 2.308 2.679 . 0 0 "[ . 1 . 2 ]" 5
115 2 18 ARG H 2 19 TYR QB 5.000 . 5.500 4.231 4.088 4.423 . 0 0 "[ . 1 . 2 ]" 5
116 2 18 ARG H 2 19 TYR QD 6.000 . 6.500 6.188 6.067 6.328 . 0 0 "[ . 1 . 2 ]" 5
117 2 18 ARG H 2 20 LEU H 6.000 . 6.500 4.187 3.890 4.603 . 0 0 "[ . 1 . 2 ]" 5
118 2 18 ARG QB 2 19 TYR HA 5.000 . 5.500 3.887 3.812 4.139 . 0 0 "[ . 1 . 2 ]" 5
119 2 18 ARG QB 2 19 TYR H 6.000 . 6.500 2.791 2.623 2.946 . 0 0 "[ . 1 . 2 ]" 5
120 2 18 ARG QB 2 19 TYR QB 5.000 . 5.500 4.064 3.927 4.239 . 0 0 "[ . 1 . 2 ]" 5
121 2 18 ARG QB 2 19 TYR QD 6.000 . 6.500 5.250 4.936 5.507 . 0 0 "[ . 1 . 2 ]" 5
122 2 18 ARG QG 2 19 TYR H 5.000 . 5.500 4.304 3.833 4.624 . 0 0 "[ . 1 . 2 ]" 5
123 2 19 TYR HA 2 19 TYR QD 4.000 . 4.500 2.634 2.253 3.066 . 0 0 "[ . 1 . 2 ]" 5
124 2 19 TYR HA 2 19 TYR QE 5.000 . 5.500 4.529 4.366 4.688 . 0 0 "[ . 1 . 2 ]" 5
125 2 19 TYR HA 2 20 LEU H 4.000 . 4.500 3.525 3.489 3.570 . 0 0 "[ . 1 . 2 ]" 5
126 2 19 TYR HA 2 20 LEU QB 6.000 . 6.500 5.329 5.176 5.534 . 0 0 "[ . 1 . 2 ]" 5
127 2 19 TYR H 2 20 LEU H 6.000 . 6.500 2.687 2.545 2.878 . 0 0 "[ . 1 . 2 ]" 5
128 2 19 TYR QB 2 20 LEU H 6.000 . 6.500 2.587 2.210 2.823 . 0 0 "[ . 1 . 2 ]" 5
129 2 19 TYR H 2 19 TYR QD 5.000 . 5.500 4.168 4.072 4.204 . 0 0 "[ . 1 . 2 ]" 5
130 2 19 TYR QD 2 20 LEU HA 6.000 . 6.500 3.767 3.101 4.336 . 0 0 "[ . 1 . 2 ]" 5
131 2 19 TYR QD 2 20 LEU H 6.000 . 6.500 3.817 3.112 4.215 . 0 0 "[ . 1 . 2 ]" 5
132 2 19 TYR QD 2 20 LEU QB 6.000 . 6.500 4.559 3.724 5.295 . 0 0 "[ . 1 . 2 ]" 5
133 2 19 TYR QD 2 20 LEU QD 6.000 . 6.500 2.929 2.178 3.855 . 0 0 "[ . 1 . 2 ]" 5
134 2 19 TYR QE 2 20 LEU HA 6.000 . 6.500 5.148 4.518 5.571 . 0 0 "[ . 1 . 2 ]" 5
135 2 19 TYR QE 2 20 LEU H 6.000 . 6.500 5.871 5.288 6.150 . 0 0 "[ . 1 . 2 ]" 5
136 2 19 TYR QE 2 20 LEU QD 5.000 . 5.500 4.160 3.601 4.982 . 0 0 "[ . 1 . 2 ]" 5
137 2 20 LEU HA 2 21 LEU H 5.000 . 5.500 3.519 3.450 3.557 . 0 0 "[ . 1 . 2 ]" 5
138 2 20 LEU HA 2 22 LYS H 6.000 . 6.500 4.285 3.699 4.648 . 0 0 "[ . 1 . 2 ]" 5
139 2 20 LEU H 2 21 LEU H 5.000 . 5.500 2.504 2.265 2.710 . 0 0 "[ . 1 . 2 ]" 5
140 2 20 LEU QB 2 21 LEU H 5.000 . 5.500 2.688 2.444 3.011 . 0 0 "[ . 1 . 2 ]" 5
141 2 20 LEU QD 2 21 LEU H 5.000 . 5.500 4.067 3.816 4.319 . 0 0 "[ . 1 . 2 ]" 5
142 2 21 LEU H 2 21 LEU QB 3.000 . 3.500 2.124 2.033 2.246 . 0 0 "[ . 1 . 2 ]" 5
143 2 21 LEU QB 2 22 LYS H 5.000 . 5.500 2.749 2.359 3.085 . 0 0 "[ . 1 . 2 ]" 5
144 2 22 LYS H 2 23 GLN H 6.000 . 6.500 2.570 2.286 2.937 . 0 0 "[ . 1 . 2 ]" 5
145 2 22 LYS QB 2 23 GLN H 5.000 . 5.500 2.635 2.156 2.969 . 0 0 "[ . 1 . 2 ]" 5
146 2 22 LYS H 2 22 LYS QG 4.000 . 4.500 3.491 2.899 4.068 . 0 0 "[ . 1 . 2 ]" 5
147 2 22 LYS QG 2 23 GLN H 5.000 . 5.500 4.264 3.540 4.624 . 0 0 "[ . 1 . 2 ]" 5
148 2 23 GLN HA 2 24 LYS H 3.000 . 3.500 3.494 3.114 3.557 0.057 4 0 "[ . 1 . 2 ]" 5
149 2 23 GLN H 2 24 LYS HA 6.000 . 6.500 5.030 4.510 5.297 . 0 0 "[ . 1 . 2 ]" 5
150 2 23 GLN H 2 24 LYS H 6.000 . 6.500 2.529 2.235 2.877 . 0 0 "[ . 1 . 2 ]" 5
stop_
save_
save_distance_constraint_statistics_6
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 6
_Distance_constraint_stats_list.Constraint_count 872
_Distance_constraint_stats_list.Viol_count 205
_Distance_constraint_stats_list.Viol_total 37.643
_Distance_constraint_stats_list.Viol_max 0.070
_Distance_constraint_stats_list.Viol_rms 0.0016
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0001
_Distance_constraint_stats_list.Viol_average_violations_only 0.0087
_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 LYS 0.022 0.015 17 0 "[ . 1 . 2 ]"
1 3 GLU 0.006 0.006 6 0 "[ . 1 . 2 ]"
1 4 GLN 0.100 0.026 15 0 "[ . 1 . 2 ]"
1 5 ASP 1.228 0.070 14 0 "[ . 1 . 2 ]"
1 6 SER 0.022 0.008 6 0 "[ . 1 . 2 ]"
1 7 GLU 0.063 0.016 6 0 "[ . 1 . 2 ]"
1 8 GLU 0.009 0.006 18 0 "[ . 1 . 2 ]"
1 9 GLU 0.134 0.027 12 0 "[ . 1 . 2 ]"
1 10 LEU 1.069 0.070 14 0 "[ . 1 . 2 ]"
1 11 ILE 0.011 0.004 15 0 "[ . 1 . 2 ]"
1 12 GLU 0.001 0.001 6 0 "[ . 1 . 2 ]"
1 13 ALA 0.019 0.006 17 0 "[ . 1 . 2 ]"
1 14 PHE 0.006 0.006 15 0 "[ . 1 . 2 ]"
1 15 LYS 0.000 0.000 16 0 "[ . 1 . 2 ]"
1 16 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 17 PHE 0.023 0.006 19 0 "[ . 1 . 2 ]"
1 18 ASP 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 19 ARG 0.021 0.008 19 0 "[ . 1 . 2 ]"
1 20 ASP 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 21 GLY 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 22 ASN 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 23 GLY 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 24 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 25 ILE 0.010 0.006 11 0 "[ . 1 . 2 ]"
1 26 SER 0.006 0.006 11 0 "[ . 1 . 2 ]"
1 27 ALA 0.013 0.005 11 0 "[ . 1 . 2 ]"
1 28 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 29 GLU 0.021 0.008 19 0 "[ . 1 . 2 ]"
1 30 LEU 0.000 0.000 6 0 "[ . 1 . 2 ]"
1 31 ARG 0.025 0.007 19 0 "[ . 1 . 2 ]"
1 32 HIS 0.009 0.007 19 0 "[ . 1 . 2 ]"
1 33 VAL 0.013 0.004 17 0 "[ . 1 . 2 ]"
1 34 MET 0.009 0.005 19 0 "[ . 1 . 2 ]"
1 35 THR 0.006 0.002 1 0 "[ . 1 . 2 ]"
1 36 ASN 0.002 0.002 10 0 "[ . 1 . 2 ]"
1 37 LEU 0.003 0.003 6 0 "[ . 1 . 2 ]"
1 38 GLY 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 39 GLU 0.004 0.003 4 0 "[ . 1 . 2 ]"
1 40 LYS 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 41 LEU 0.010 0.003 14 0 "[ . 1 . 2 ]"
1 42 THR 0.002 0.002 2 0 "[ . 1 . 2 ]"
1 43 ASP 0.077 0.031 8 0 "[ . 1 . 2 ]"
1 44 ASP 0.043 0.016 11 0 "[ . 1 . 2 ]"
1 45 GLU 0.006 0.003 14 0 "[ . 1 . 2 ]"
1 46 VAL 0.076 0.031 8 0 "[ . 1 . 2 ]"
1 47 ASP 0.043 0.016 11 0 "[ . 1 . 2 ]"
1 48 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 49 MET 0.000 0.000 14 0 "[ . 1 . 2 ]"
1 50 ILE 0.024 0.005 11 0 "[ . 1 . 2 ]"
1 51 ARG 0.021 0.010 7 0 "[ . 1 . 2 ]"
1 52 GLU 0.026 0.006 20 0 "[ . 1 . 2 ]"
1 53 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 54 ASP 0.021 0.010 7 0 "[ . 1 . 2 ]"
1 55 ILE 0.030 0.017 21 0 "[ . 1 . 2 ]"
1 56 ASP 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 57 GLY 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 58 ASP 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 59 GLY 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 60 HIS 0.007 0.004 15 0 "[ . 1 . 2 ]"
1 61 ILE 0.015 0.005 21 0 "[ . 1 . 2 ]"
1 62 ASN 0.019 0.017 21 0 "[ . 1 . 2 ]"
1 63 TYR 0.029 0.006 15 0 "[ . 1 . 2 ]"
1 64 GLU 0.006 0.003 9 0 "[ . 1 . 2 ]"
1 65 GLU 0.007 0.005 21 0 "[ . 1 . 2 ]"
1 66 PHE 0.004 0.001 3 0 "[ . 1 . 2 ]"
1 67 VAL 0.014 0.010 10 0 "[ . 1 . 2 ]"
1 68 ARG 0.027 0.010 10 0 "[ . 1 . 2 ]"
1 69 MET 0.012 0.004 5 0 "[ . 1 . 2 ]"
1 70 MET 0.015 0.006 4 0 "[ . 1 . 2 ]"
1 71 VAL 0.099 0.019 2 0 "[ . 1 . 2 ]"
1 72 SER 0.026 0.006 20 0 "[ . 1 . 2 ]"
1 73 LYS 0.018 0.006 15 0 "[ . 1 . 2 ]"
2 8 SER 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 9 ALA 0.005 0.002 12 0 "[ . 1 . 2 ]"
2 11 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 12 ILE 0.012 0.006 19 0 "[ . 1 . 2 ]"
2 13 GLN 0.014 0.006 4 0 "[ . 1 . 2 ]"
2 15 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 16 TYR 0.002 0.002 13 0 "[ . 1 . 2 ]"
2 19 TYR 0.012 0.006 19 0 "[ . 1 . 2 ]"
2 20 LEU 0.004 0.003 12 0 "[ . 1 . 2 ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 2 LYS HA 1 2 LYS QE 6.000 . 6.500 3.410 2.077 4.345 . 0 0 "[ . 1 . 2 ]" 6
2 1 2 LYS HA 1 3 GLU HA 5.000 . 5.500 4.614 4.364 5.357 . 0 0 "[ . 1 . 2 ]" 6
3 1 2 LYS HA 1 3 GLU QG 6.000 . 6.500 4.675 3.323 6.094 . 0 0 "[ . 1 . 2 ]" 6
4 1 2 LYS QB 1 3 GLU HA 6.000 . 6.500 4.223 3.736 5.068 . 0 0 "[ . 1 . 2 ]" 6
5 1 2 LYS QB 1 4 GLN QG 6.000 . 6.500 4.999 2.353 6.293 . 0 0 "[ . 1 . 2 ]" 6
6 1 2 LYS QB 1 5 ASP QB 5.000 . 5.500 2.866 1.848 4.698 . 0 0 "[ . 1 . 2 ]" 6
7 1 2 LYS QB 1 6 SER QB 6.000 . 6.500 4.823 3.488 6.450 . 0 0 "[ . 1 . 2 ]" 6
8 1 2 LYS QD 1 5 ASP HA 6.000 . 6.500 5.073 3.735 6.076 . 0 0 "[ . 1 . 2 ]" 6
9 1 2 LYS QE 1 4 GLN QE 6.000 . 6.500 5.425 2.330 6.515 0.015 17 0 "[ . 1 . 2 ]" 6
10 1 2 LYS QG 1 3 GLU QG 6.000 . 6.500 5.507 3.284 6.506 0.006 6 0 "[ . 1 . 2 ]" 6
11 1 2 LYS QG 1 4 GLN QG 6.000 . 6.500 4.744 2.388 6.409 . 0 0 "[ . 1 . 2 ]" 6
12 1 2 LYS QG 1 6 SER QB 6.000 . 6.500 5.492 3.364 6.477 . 0 0 "[ . 1 . 2 ]" 6
13 1 3 GLU HA 1 4 GLN QG 6.000 . 6.500 5.216 4.810 5.934 . 0 0 "[ . 1 . 2 ]" 6
14 1 3 GLU HA 1 6 SER QB 6.000 . 6.500 3.368 2.519 4.274 . 0 0 "[ . 1 . 2 ]" 6
15 1 3 GLU QB 1 4 GLN HA 6.000 . 6.500 3.884 3.651 4.216 . 0 0 "[ . 1 . 2 ]" 6
16 1 4 GLN HA 1 5 ASP HA 5.000 . 5.500 4.734 4.673 4.843 . 0 0 "[ . 1 . 2 ]" 6
17 1 4 GLN HA 1 5 ASP QB 6.000 . 6.500 5.295 5.177 5.377 . 0 0 "[ . 1 . 2 ]" 6
18 1 4 GLN HA 1 10 LEU QD 6.000 . 6.500 4.782 3.063 6.526 0.026 15 0 "[ . 1 . 2 ]" 6
19 1 4 GLN QG 1 5 ASP HA 6.000 . 6.500 4.333 3.363 5.778 . 0 0 "[ . 1 . 2 ]" 6
20 1 5 ASP HA 1 6 SER HA 5.000 . 5.500 4.675 4.621 4.825 . 0 0 "[ . 1 . 2 ]" 6
21 1 5 ASP HA 1 6 SER QB 6.000 . 6.500 5.369 5.053 5.641 . 0 0 "[ . 1 . 2 ]" 6
22 1 5 ASP HA 1 7 GLU HA 6.000 . 6.500 6.047 5.787 6.510 0.010 8 0 "[ . 1 . 2 ]" 6
23 1 5 ASP HA 1 7 GLU QG 6.000 . 6.500 5.187 3.131 6.516 0.016 6 0 "[ . 1 . 2 ]" 6
24 1 5 ASP HA 1 10 LEU HG 6.000 . 6.500 6.524 6.502 6.549 0.049 1 0 "[ . 1 . 2 ]" 6
25 1 5 ASP HA 1 10 LEU QD 6.000 . 6.500 5.850 5.562 6.126 . 0 0 "[ . 1 . 2 ]" 6
26 1 5 ASP HA 1 71 VAL QG 6.000 . 6.500 6.481 6.341 6.519 0.019 2 0 "[ . 1 . 2 ]" 6
27 1 5 ASP QB 1 6 SER HA 6.000 . 6.500 4.025 3.892 4.139 . 0 0 "[ . 1 . 2 ]" 6
28 1 5 ASP QB 1 9 GLU QB 6.000 . 6.500 5.422 3.506 6.527 0.027 12 0 "[ . 1 . 2 ]" 6
29 1 5 ASP QB 1 10 LEU HG 6.000 . 6.500 6.208 5.550 6.570 0.070 14 0 "[ . 1 . 2 ]" 6
30 1 5 ASP QB 1 10 LEU QD 6.000 . 6.500 5.351 5.006 5.732 . 0 0 "[ . 1 . 2 ]" 6
31 1 5 ASP QB 1 71 VAL QG 6.000 . 6.500 5.458 4.371 6.299 . 0 0 "[ . 1 . 2 ]" 6
32 1 6 SER HA 1 7 GLU HA 6.000 . 6.500 4.797 4.607 4.993 . 0 0 "[ . 1 . 2 ]" 6
33 1 6 SER HA 1 8 GLU QG 5.000 . 5.500 4.266 2.858 5.358 . 0 0 "[ . 1 . 2 ]" 6
34 1 6 SER HA 1 9 GLU QB 6.000 . 6.500 3.016 2.520 3.410 . 0 0 "[ . 1 . 2 ]" 6
35 1 6 SER HA 1 10 LEU HG 6.000 . 6.500 3.075 1.944 4.278 . 0 0 "[ . 1 . 2 ]" 6
36 1 6 SER HA 1 10 LEU QD 6.000 . 6.500 3.460 2.670 4.268 . 0 0 "[ . 1 . 2 ]" 6
37 1 6 SER QB 1 7 GLU QB 6.000 . 6.500 4.920 4.443 5.417 . 0 0 "[ . 1 . 2 ]" 6
38 1 6 SER QB 1 9 GLU QB 6.000 . 6.500 3.477 2.297 4.894 . 0 0 "[ . 1 . 2 ]" 6
39 1 6 SER QB 1 10 LEU QD 6.000 . 6.500 1.887 1.692 2.268 0.008 6 0 "[ . 1 . 2 ]" 6
40 1 7 GLU HA 1 8 GLU QG 6.000 . 6.500 5.133 4.938 5.359 . 0 0 "[ . 1 . 2 ]" 6
41 1 7 GLU HA 1 10 LEU HG 5.000 . 5.500 3.781 2.319 4.730 . 0 0 "[ . 1 . 2 ]" 6
42 1 7 GLU HA 1 10 LEU QB 5.000 . 5.500 3.077 2.137 3.918 . 0 0 "[ . 1 . 2 ]" 6
43 1 7 GLU HA 1 10 LEU QD 4.000 . 4.500 3.603 2.479 4.043 . 0 0 "[ . 1 . 2 ]" 6
44 1 7 GLU HA 1 11 ILE MD 6.000 . 6.500 5.220 4.553 5.827 . 0 0 "[ . 1 . 2 ]" 6
45 1 7 GLU HA 1 63 TYR QE 6.000 . 6.500 4.192 3.506 4.660 . 0 0 "[ . 1 . 2 ]" 6
46 1 7 GLU HA 1 67 VAL QG 6.000 . 6.500 3.860 3.085 4.393 . 0 0 "[ . 1 . 2 ]" 6
47 1 7 GLU QB 1 10 LEU QD 5.000 . 5.500 4.788 3.876 5.218 . 0 0 "[ . 1 . 2 ]" 6
48 1 7 GLU QB 1 63 TYR QE 6.000 . 6.500 4.686 3.706 5.447 . 0 0 "[ . 1 . 2 ]" 6
49 1 8 GLU HA 1 11 ILE HB 4.000 . 4.500 3.889 3.466 4.154 . 0 0 "[ . 1 . 2 ]" 6
50 1 8 GLU HA 1 11 ILE MD 4.000 . 4.500 3.836 1.821 4.192 . 0 0 "[ . 1 . 2 ]" 6
51 1 8 GLU HA 1 11 ILE QG 5.000 . 5.500 4.961 3.347 5.326 . 0 0 "[ . 1 . 2 ]" 6
52 1 8 GLU HA 1 11 ILE MG 5.000 . 5.500 2.245 1.865 4.862 . 0 0 "[ . 1 . 2 ]" 6
53 1 8 GLU HA 1 63 TYR QE 6.000 . 6.500 6.107 5.694 6.506 0.006 18 0 "[ . 1 . 2 ]" 6
54 1 8 GLU QB 1 11 ILE MD 5.000 . 5.500 5.077 3.406 5.486 . 0 0 "[ . 1 . 2 ]" 6
55 1 9 GLU HA 1 11 ILE MG 6.000 . 6.500 3.691 3.300 5.661 . 0 0 "[ . 1 . 2 ]" 6
56 1 9 GLU HA 2 19 TYR QE 6.000 . 6.500 6.217 5.227 6.500 . 20 0 "[ . 1 . 2 ]" 6
57 1 9 GLU QB 1 10 LEU HG 6.000 . 6.500 3.567 3.116 3.990 . 0 0 "[ . 1 . 2 ]" 6
58 1 9 GLU QB 1 10 LEU QD 5.000 . 5.500 2.783 2.505 3.122 . 0 0 "[ . 1 . 2 ]" 6
59 1 9 GLU QG 1 10 LEU QD 5.000 . 5.500 4.395 3.240 4.896 . 0 0 "[ . 1 . 2 ]" 6
60 1 9 GLU QG 2 19 TYR QD 6.000 . 6.500 5.684 4.648 6.502 0.002 15 0 "[ . 1 . 2 ]" 6
61 1 9 GLU QG 2 20 LEU QD 5.000 . 5.500 2.855 1.918 3.657 . 0 0 "[ . 1 . 2 ]" 6
62 1 10 LEU HA 1 10 LEU QD 4.000 . 4.500 2.078 1.941 2.215 . 0 0 "[ . 1 . 2 ]" 6
63 1 10 LEU HA 1 13 ALA HA 5.000 . 5.500 5.406 5.233 5.506 0.006 17 0 "[ . 1 . 2 ]" 6
64 1 10 LEU HA 1 13 ALA MB 5.000 . 5.500 2.742 2.529 2.902 . 0 0 "[ . 1 . 2 ]" 6
65 1 10 LEU HA 1 63 TYR QE 6.000 . 6.500 5.302 4.389 6.183 . 0 0 "[ . 1 . 2 ]" 6
66 1 10 LEU HA 1 66 PHE QD 6.000 . 6.500 4.426 3.498 5.334 . 0 0 "[ . 1 . 2 ]" 6
67 1 10 LEU HA 1 66 PHE QE 6.000 . 6.500 3.398 2.726 4.265 . 0 0 "[ . 1 . 2 ]" 6
68 1 10 LEU HA 1 70 MET ME 6.000 . 6.500 5.363 3.710 6.474 . 0 0 "[ . 1 . 2 ]" 6
69 1 10 LEU HA 2 16 TYR QE 6.000 . 6.500 3.996 3.378 4.844 . 0 0 "[ . 1 . 2 ]" 6
70 1 10 LEU HG 1 63 TYR QE 6.000 . 6.500 5.768 4.829 6.502 0.002 14 0 "[ . 1 . 2 ]" 6
71 1 10 LEU HG 1 66 PHE QE 6.000 . 6.500 5.506 4.542 6.433 . 0 0 "[ . 1 . 2 ]" 6
72 1 10 LEU HG 1 67 VAL QG 6.000 . 6.500 4.306 3.708 5.061 . 0 0 "[ . 1 . 2 ]" 6
73 1 10 LEU QB 1 11 ILE HA 6.000 . 6.500 3.855 3.824 3.930 . 0 0 "[ . 1 . 2 ]" 6
74 1 10 LEU QB 1 11 ILE QG 6.000 . 6.500 5.240 3.351 5.410 . 0 0 "[ . 1 . 2 ]" 6
75 1 10 LEU QB 1 13 ALA MB 5.000 . 5.500 3.952 3.767 4.216 . 0 0 "[ . 1 . 2 ]" 6
76 1 10 LEU QB 1 63 TYR QE 5.000 . 5.500 3.376 2.410 4.266 . 0 0 "[ . 1 . 2 ]" 6
77 1 10 LEU QB 1 66 PHE QD 6.000 . 6.500 2.705 1.980 3.638 . 0 0 "[ . 1 . 2 ]" 6
78 1 10 LEU QB 1 66 PHE QE 6.000 . 6.500 3.104 2.262 4.126 . 0 0 "[ . 1 . 2 ]" 6
79 1 10 LEU QB 1 67 VAL QG 5.000 . 5.500 3.292 2.610 4.205 . 0 0 "[ . 1 . 2 ]" 6
80 1 10 LEU QD 1 13 ALA MB 6.000 . 6.500 3.550 3.328 3.694 . 0 0 "[ . 1 . 2 ]" 6
81 1 10 LEU QD 1 63 TYR QE 6.000 . 6.500 4.562 3.792 5.254 . 0 0 "[ . 1 . 2 ]" 6
82 1 10 LEU QD 1 66 PHE QD 6.000 . 6.500 3.150 2.151 4.149 . 0 0 "[ . 1 . 2 ]" 6
83 1 10 LEU QD 1 66 PHE QE 6.000 . 6.500 2.988 1.944 3.910 . 0 0 "[ . 1 . 2 ]" 6
84 1 10 LEU QD 1 67 VAL HA 5.000 . 5.500 2.544 1.894 3.288 . 0 0 "[ . 1 . 2 ]" 6
85 1 10 LEU QD 1 67 VAL QG 4.000 . 4.500 2.411 1.898 3.080 . 0 0 "[ . 1 . 2 ]" 6
86 1 10 LEU QD 1 70 MET QB 6.000 . 6.500 2.420 1.930 2.963 . 0 0 "[ . 1 . 2 ]" 6
87 1 10 LEU QD 1 70 MET ME 5.000 . 5.500 3.331 1.763 4.102 . 0 0 "[ . 1 . 2 ]" 6
88 1 11 ILE HA 1 12 GLU HA 6.000 . 6.500 4.760 4.717 4.824 . 0 0 "[ . 1 . 2 ]" 6
89 1 11 ILE HA 1 14 PHE QB 5.000 . 5.500 2.799 2.507 3.049 . 0 0 "[ . 1 . 2 ]" 6
90 1 11 ILE HA 1 14 PHE QD 6.000 . 6.500 4.500 3.799 4.954 . 0 0 "[ . 1 . 2 ]" 6
91 1 11 ILE HA 1 63 TYR QD 5.000 . 5.500 3.595 3.111 3.936 . 0 0 "[ . 1 . 2 ]" 6
92 1 11 ILE HA 1 63 TYR QE 4.000 . 4.500 2.077 1.983 2.515 . 0 0 "[ . 1 . 2 ]" 6
93 1 11 ILE HA 1 66 PHE QD 6.000 . 6.500 5.417 4.697 5.940 . 0 0 "[ . 1 . 2 ]" 6
94 1 11 ILE HA 1 66 PHE QE 6.000 . 6.500 5.988 5.371 6.501 0.001 3 0 "[ . 1 . 2 ]" 6
95 1 11 ILE HA 1 67 VAL QG 6.000 . 6.500 5.459 4.686 6.500 . 0 0 "[ . 1 . 2 ]" 6
96 1 11 ILE HB 1 15 LYS QE 6.000 . 6.500 5.447 3.988 6.482 . 0 0 "[ . 1 . 2 ]" 6
97 1 11 ILE HB 1 63 TYR QE 5.000 . 5.500 2.942 2.317 4.294 . 0 0 "[ . 1 . 2 ]" 6
98 1 11 ILE MD 1 11 ILE MG 3.000 . 3.500 2.200 2.004 2.439 . 0 0 "[ . 1 . 2 ]" 6
99 1 11 ILE MD 1 14 PHE QB 6.000 . 6.500 4.985 4.590 5.609 . 0 0 "[ . 1 . 2 ]" 6
100 1 11 ILE MD 1 14 PHE QD 6.000 . 6.500 5.784 5.100 6.372 . 0 0 "[ . 1 . 2 ]" 6
101 1 11 ILE MD 1 15 LYS QD 6.000 . 6.500 4.345 3.226 6.444 . 0 0 "[ . 1 . 2 ]" 6
102 1 11 ILE MD 1 15 LYS QE 5.000 . 5.500 3.468 2.661 4.650 . 0 0 "[ . 1 . 2 ]" 6
103 1 11 ILE MD 1 15 LYS QG 6.000 . 6.500 5.210 4.128 5.853 . 0 0 "[ . 1 . 2 ]" 6
104 1 11 ILE MD 1 63 TYR QD 6.000 . 6.500 4.826 4.251 5.431 . 0 0 "[ . 1 . 2 ]" 6
105 1 11 ILE MD 1 63 TYR QE 5.000 . 5.500 3.689 3.014 4.264 . 0 0 "[ . 1 . 2 ]" 6
106 1 11 ILE QG 1 14 PHE QB 6.000 . 6.500 3.611 3.281 4.396 . 0 0 "[ . 1 . 2 ]" 6
107 1 11 ILE QG 1 63 TYR QB 5.000 . 5.500 5.309 5.080 5.504 0.004 15 0 "[ . 1 . 2 ]" 6
108 1 11 ILE QG 1 63 TYR QD 6.000 . 6.500 4.158 3.429 4.732 . 0 0 "[ . 1 . 2 ]" 6
109 1 11 ILE QG 1 63 TYR QE 5.000 . 5.500 3.100 1.985 3.877 . 0 0 "[ . 1 . 2 ]" 6
110 1 11 ILE MG 1 12 GLU HA 4.000 . 4.500 3.338 3.178 3.586 . 0 0 "[ . 1 . 2 ]" 6
111 1 11 ILE MG 1 12 GLU QB 6.000 . 6.500 3.127 2.837 4.701 . 0 0 "[ . 1 . 2 ]" 6
112 1 11 ILE MG 1 12 GLU QG 4.000 . 4.500 3.519 2.324 4.282 . 0 0 "[ . 1 . 2 ]" 6
113 1 11 ILE MG 1 14 PHE QB 6.000 . 6.500 4.769 3.209 4.954 . 0 0 "[ . 1 . 2 ]" 6
114 1 11 ILE MG 1 14 PHE QD 6.000 . 6.500 6.154 3.548 6.430 . 0 0 "[ . 1 . 2 ]" 6
115 1 11 ILE MG 1 15 LYS QB 6.000 . 6.500 5.356 4.364 5.760 . 0 0 "[ . 1 . 2 ]" 6
116 1 11 ILE MG 1 15 LYS QD 5.000 . 5.500 4.440 3.623 5.420 . 0 0 "[ . 1 . 2 ]" 6
117 1 11 ILE MG 1 15 LYS QE 5.000 . 5.500 4.179 1.989 5.353 . 0 0 "[ . 1 . 2 ]" 6
118 1 11 ILE MG 1 63 TYR QD 6.000 . 6.500 5.661 4.101 5.964 . 0 0 "[ . 1 . 2 ]" 6
119 1 11 ILE MG 1 63 TYR QE 6.000 . 6.500 4.087 3.283 4.378 . 0 0 "[ . 1 . 2 ]" 6
120 1 12 GLU HA 1 15 LYS QD 4.000 . 4.500 3.436 2.595 4.483 . 0 0 "[ . 1 . 2 ]" 6
121 1 12 GLU HA 1 15 LYS QE 5.000 . 5.500 4.076 2.188 5.463 . 0 0 "[ . 1 . 2 ]" 6
122 1 12 GLU HA 1 15 LYS QG 5.000 . 5.500 4.146 2.315 4.976 . 0 0 "[ . 1 . 2 ]" 6
123 1 12 GLU HA 2 19 TYR QE 6.000 . 6.500 5.933 4.759 6.342 . 0 0 "[ . 1 . 2 ]" 6
124 1 12 GLU QB 1 16 VAL QG 6.000 . 6.500 3.977 3.391 4.465 . 0 0 "[ . 1 . 2 ]" 6
125 1 12 GLU QB 2 19 TYR QD 5.000 . 5.500 5.127 4.239 5.501 0.001 6 0 "[ . 1 . 2 ]" 6
126 1 12 GLU QB 2 19 TYR QE 4.000 . 4.500 3.497 2.227 3.953 . 0 0 "[ . 1 . 2 ]" 6
127 1 12 GLU QB 2 20 LEU QD 6.000 . 6.500 4.952 4.537 5.442 . 0 0 "[ . 1 . 2 ]" 6
128 1 12 GLU QG 1 15 LYS QE 6.000 . 6.500 4.899 2.805 6.443 . 0 0 "[ . 1 . 2 ]" 6
129 1 13 ALA HA 1 16 VAL HB 6.000 . 6.500 3.544 2.736 4.824 . 0 0 "[ . 1 . 2 ]" 6
130 1 13 ALA HA 1 16 VAL QG 5.000 . 5.500 2.297 1.837 2.957 . 0 0 "[ . 1 . 2 ]" 6
131 1 13 ALA HA 2 16 TYR QD 6.000 . 6.500 5.158 4.587 5.719 . 0 0 "[ . 1 . 2 ]" 6
132 1 13 ALA HA 2 19 TYR QB 6.000 . 6.500 5.829 5.251 6.130 . 0 0 "[ . 1 . 2 ]" 6
133 1 13 ALA HA 2 19 TYR QD 5.000 . 5.500 4.862 4.315 5.457 . 0 0 "[ . 1 . 2 ]" 6
134 1 13 ALA HA 2 20 LEU QD 6.000 . 6.500 6.187 5.586 6.503 0.003 12 0 "[ . 1 . 2 ]" 6
135 1 13 ALA MB 1 17 PHE HZ 6.000 . 6.500 4.993 4.536 5.560 . 0 0 "[ . 1 . 2 ]" 6
136 1 13 ALA MB 1 17 PHE QD 6.000 . 6.500 3.085 2.377 3.692 . 0 0 "[ . 1 . 2 ]" 6
137 1 13 ALA MB 1 66 PHE QE 6.000 . 6.500 2.741 2.005 3.232 . 0 0 "[ . 1 . 2 ]" 6
138 1 13 ALA MB 1 70 MET ME 6.000 . 6.500 4.500 3.439 5.492 . 0 0 "[ . 1 . 2 ]" 6
139 1 13 ALA MB 2 19 TYR QB 6.000 . 6.500 4.525 4.140 4.947 . 0 0 "[ . 1 . 2 ]" 6
140 1 13 ALA MB 2 20 LEU QD 6.000 . 6.500 4.510 3.769 4.907 . 0 0 "[ . 1 . 2 ]" 6
141 1 14 PHE HA 1 15 LYS HA 6.000 . 6.500 4.759 4.696 4.810 . 0 0 "[ . 1 . 2 ]" 6
142 1 14 PHE HA 1 17 PHE QD 6.000 . 6.500 3.905 2.515 4.539 . 0 0 "[ . 1 . 2 ]" 6
143 1 14 PHE HA 1 25 ILE MD 5.000 . 5.500 3.066 2.293 3.397 . 0 0 "[ . 1 . 2 ]" 6
144 1 14 PHE HA 1 63 TYR QD 6.000 . 6.500 5.255 4.415 5.984 . 0 0 "[ . 1 . 2 ]" 6
145 1 14 PHE HA 1 63 TYR QE 6.000 . 6.500 6.118 5.260 6.506 0.006 15 0 "[ . 1 . 2 ]" 6
146 1 14 PHE HA 1 66 PHE QD 6.000 . 6.500 4.697 3.754 5.188 . 0 0 "[ . 1 . 2 ]" 6
147 1 14 PHE QB 1 17 PHE H 6.000 . 6.500 5.033 4.758 5.331 . 0 0 "[ . 1 . 2 ]" 6
148 1 14 PHE QB 1 25 ILE MD 6.000 . 6.500 4.189 3.465 4.673 . 0 0 "[ . 1 . 2 ]" 6
149 1 14 PHE QB 1 63 TYR QB 6.000 . 6.500 4.456 3.821 5.166 . 0 0 "[ . 1 . 2 ]" 6
150 1 14 PHE QB 1 63 TYR QD 5.000 . 5.500 2.919 2.278 3.688 . 0 0 "[ . 1 . 2 ]" 6
151 1 14 PHE QB 1 63 TYR QE 5.000 . 5.500 3.441 2.794 3.927 . 0 0 "[ . 1 . 2 ]" 6
152 1 14 PHE QB 1 67 VAL QG 6.000 . 6.500 5.405 4.502 6.187 . 0 0 "[ . 1 . 2 ]" 6
153 1 14 PHE QD 1 15 LYS HA 6.000 . 6.500 3.838 2.886 4.555 . 0 0 "[ . 1 . 2 ]" 6
154 1 14 PHE QD 1 15 LYS QB 6.000 . 6.500 5.042 4.338 5.514 . 0 0 "[ . 1 . 2 ]" 6
155 1 14 PHE QD 1 15 LYS QD 6.000 . 6.500 4.124 2.763 5.076 . 0 0 "[ . 1 . 2 ]" 6
156 1 14 PHE QD 1 15 LYS QE 6.000 . 6.500 4.754 3.195 5.834 . 0 0 "[ . 1 . 2 ]" 6
157 1 14 PHE QD 1 15 LYS QG 6.000 . 6.500 4.158 2.859 5.227 . 0 0 "[ . 1 . 2 ]" 6
158 1 14 PHE QD 1 25 ILE MD 6.000 . 6.500 2.883 2.051 3.291 . 0 0 "[ . 1 . 2 ]" 6
159 1 14 PHE QD 1 61 ILE MG 6.000 . 6.500 4.562 3.780 5.628 . 0 0 "[ . 1 . 2 ]" 6
160 1 14 PHE QD 1 63 TYR HA 6.000 . 6.500 3.287 2.407 3.885 . 0 0 "[ . 1 . 2 ]" 6
161 1 14 PHE QD 1 63 TYR QB 6.000 . 6.500 3.854 2.955 4.499 . 0 0 "[ . 1 . 2 ]" 6
162 1 14 PHE QD 1 66 PHE HA 6.000 . 6.500 5.501 4.580 6.465 . 0 0 "[ . 1 . 2 ]" 6
163 1 14 PHE QE 1 15 LYS HA 6.000 . 6.500 5.478 4.433 6.277 . 0 0 "[ . 1 . 2 ]" 6
164 1 14 PHE QE 1 15 LYS QD 6.000 . 6.500 5.845 4.714 6.496 . 0 0 "[ . 1 . 2 ]" 6
165 1 14 PHE QE 1 18 ASP QB 6.000 . 6.500 4.138 2.746 5.109 . 0 0 "[ . 1 . 2 ]" 6
166 1 14 PHE QE 1 23 GLY QA 5.000 . 5.500 2.910 2.002 4.040 . 0 0 "[ . 1 . 2 ]" 6
167 1 14 PHE QE 1 24 LEU HA 6.000 . 6.500 3.893 2.637 4.619 . 0 0 "[ . 1 . 2 ]" 6
168 1 14 PHE QE 1 25 ILE HB 6.000 . 6.500 4.728 3.870 5.653 . 0 0 "[ . 1 . 2 ]" 6
169 1 14 PHE QE 1 25 ILE QG 6.000 . 6.500 3.316 2.301 4.294 . 0 0 "[ . 1 . 2 ]" 6
170 1 14 PHE QE 1 62 ASN HA 6.000 . 6.500 3.186 2.230 3.659 . 0 0 "[ . 1 . 2 ]" 6
171 1 14 PHE QE 1 62 ASN QB 6.000 . 6.500 4.623 4.125 5.259 . 0 0 "[ . 1 . 2 ]" 6
172 1 14 PHE QE 1 63 TYR HA 5.000 . 5.500 2.944 2.028 4.017 . 0 0 "[ . 1 . 2 ]" 6
173 1 14 PHE QE 1 63 TYR QB 6.000 . 6.500 3.400 2.312 3.995 . 0 0 "[ . 1 . 2 ]" 6
174 1 15 LYS HA 1 15 LYS QD 4.000 . 4.500 3.202 2.429 4.047 . 0 0 "[ . 1 . 2 ]" 6
175 1 15 LYS HA 1 15 LYS QE 5.000 . 5.500 4.297 3.341 4.883 . 0 0 "[ . 1 . 2 ]" 6
176 1 15 LYS HA 1 18 ASP QB 5.000 . 5.500 3.329 2.668 4.763 . 0 0 "[ . 1 . 2 ]" 6
177 1 15 LYS HA 1 25 ILE MD 6.000 . 6.500 5.869 4.961 6.429 . 0 0 "[ . 1 . 2 ]" 6
178 1 15 LYS QB 1 15 LYS QD 3.000 . 3.500 2.125 2.013 2.329 . 0 0 "[ . 1 . 2 ]" 6
179 1 15 LYS QB 1 16 VAL HA 6.000 . 6.500 3.830 3.707 3.964 . 0 0 "[ . 1 . 2 ]" 6
180 1 15 LYS QE 1 63 TYR QE 6.000 . 6.500 6.005 5.254 6.500 0.000 16 0 "[ . 1 . 2 ]" 6
181 1 15 LYS QG 1 18 ASP QB 6.000 . 6.500 4.749 4.275 5.974 . 0 0 "[ . 1 . 2 ]" 6
182 1 16 VAL HA 1 18 ASP QB 6.000 . 6.500 5.586 5.135 6.489 . 0 0 "[ . 1 . 2 ]" 6
183 1 16 VAL HA 2 19 TYR QE 6.000 . 6.500 6.106 5.823 6.459 . 0 0 "[ . 1 . 2 ]" 6
184 1 16 VAL HB 1 17 PHE QD 6.000 . 6.500 4.053 2.622 6.401 . 0 0 "[ . 1 . 2 ]" 6
185 1 16 VAL HB 2 19 TYR QD 6.000 . 6.500 5.774 5.091 6.498 . 0 0 "[ . 1 . 2 ]" 6
186 1 16 VAL HB 2 19 TYR QE 5.000 . 5.500 4.396 4.000 4.936 . 0 0 "[ . 1 . 2 ]" 6
187 1 16 VAL QG 1 17 PHE HA 6.000 . 6.500 3.469 2.984 3.739 . 0 0 "[ . 1 . 2 ]" 6
188 1 16 VAL QG 1 18 ASP QB 6.000 . 6.500 5.444 5.101 5.920 . 0 0 "[ . 1 . 2 ]" 6
189 1 16 VAL QG 1 33 VAL HA 6.000 . 6.500 5.649 4.935 6.358 . 0 0 "[ . 1 . 2 ]" 6
190 1 16 VAL QG 1 33 VAL QG 6.000 . 6.500 3.295 2.635 3.879 . 0 0 "[ . 1 . 2 ]" 6
191 1 16 VAL QG 1 37 LEU QD 5.000 . 5.500 3.778 2.786 4.244 . 0 0 "[ . 1 . 2 ]" 6
192 1 16 VAL QG 2 19 TYR QB 6.000 . 6.500 4.927 4.470 5.624 . 0 0 "[ . 1 . 2 ]" 6
193 1 16 VAL QG 2 16 TYR QD 6.000 . 6.500 5.421 4.378 6.459 . 0 0 "[ . 1 . 2 ]" 6
194 1 16 VAL QG 2 16 TYR QE 6.000 . 6.500 4.764 3.600 6.116 . 0 0 "[ . 1 . 2 ]" 6
195 1 16 VAL QG 2 19 TYR HA 6.000 . 6.500 6.078 5.581 6.453 . 0 0 "[ . 1 . 2 ]" 6
196 1 16 VAL QG 2 19 TYR QD 5.000 . 5.500 3.960 3.641 4.447 . 0 0 "[ . 1 . 2 ]" 6
197 1 16 VAL QG 2 19 TYR QE 6.000 . 6.500 2.706 2.348 3.074 . 0 0 "[ . 1 . 2 ]" 6
198 1 17 PHE HA 1 17 PHE QE 6.000 . 6.500 4.382 4.150 4.519 . 0 0 "[ . 1 . 2 ]" 6
199 1 17 PHE HA 1 19 ARG HA 6.000 . 6.500 5.915 5.714 6.367 . 0 0 "[ . 1 . 2 ]" 6
200 1 17 PHE HA 1 25 ILE MD 5.000 . 5.500 4.666 4.315 5.171 . 0 0 "[ . 1 . 2 ]" 6
201 1 17 PHE HA 1 25 ILE QG 6.000 . 6.500 4.985 3.951 5.491 . 0 0 "[ . 1 . 2 ]" 6
202 1 17 PHE HA 1 25 ILE MG 5.000 . 5.500 4.602 4.066 4.908 . 0 0 "[ . 1 . 2 ]" 6
203 1 17 PHE HA 1 29 GLU QB 6.000 . 6.500 5.280 4.398 5.899 . 0 0 "[ . 1 . 2 ]" 6
204 1 17 PHE HA 1 30 LEU QD 6.000 . 6.500 5.563 4.856 6.259 . 0 0 "[ . 1 . 2 ]" 6
205 1 17 PHE HA 1 33 VAL QG 5.000 . 5.500 2.206 1.919 2.995 . 0 0 "[ . 1 . 2 ]" 6
206 1 17 PHE H 1 25 ILE MD 6.000 . 6.500 4.565 4.138 4.907 . 0 0 "[ . 1 . 2 ]" 6
207 1 17 PHE H 1 33 VAL QG 6.000 . 6.500 4.247 3.862 4.916 . 0 0 "[ . 1 . 2 ]" 6
208 1 17 PHE HZ 1 33 VAL HB 6.000 . 6.500 4.780 3.576 6.450 . 0 0 "[ . 1 . 2 ]" 6
209 1 17 PHE HZ 1 33 VAL QG 6.000 . 6.500 3.290 2.528 3.888 . 0 0 "[ . 1 . 2 ]" 6
210 1 17 PHE HZ 1 34 MET HA 6.000 . 6.500 5.265 4.540 6.505 0.005 19 0 "[ . 1 . 2 ]" 6
211 1 17 PHE HZ 1 37 LEU QD 6.000 . 6.500 3.903 2.729 5.215 . 0 0 "[ . 1 . 2 ]" 6
212 1 17 PHE HZ 1 66 PHE HZ 6.000 . 6.500 4.445 3.240 5.247 . 0 0 "[ . 1 . 2 ]" 6
213 1 17 PHE HZ 1 70 MET ME 6.000 . 6.500 5.348 3.311 6.370 . 0 0 "[ . 1 . 2 ]" 6
214 1 17 PHE HZ 2 12 ILE HA 5.000 . 5.500 5.332 4.973 5.506 0.006 19 0 "[ . 1 . 2 ]" 6
215 1 17 PHE HZ 2 12 ILE MG 5.000 . 5.500 4.089 3.544 4.746 . 0 0 "[ . 1 . 2 ]" 6
216 1 17 PHE HZ 2 15 ALA MB 5.000 . 5.500 3.787 2.997 5.390 . 0 0 "[ . 1 . 2 ]" 6
217 1 17 PHE HZ 2 19 TYR QB 6.000 . 6.500 6.143 5.629 6.506 0.006 19 0 "[ . 1 . 2 ]" 6
218 1 17 PHE QB 1 25 ILE MD 4.000 . 4.500 2.228 1.936 2.711 . 0 0 "[ . 1 . 2 ]" 6
219 1 17 PHE QB 1 25 ILE QG 6.000 . 6.500 2.754 1.947 3.448 . 0 0 "[ . 1 . 2 ]" 6
220 1 17 PHE QB 1 25 ILE MG 5.000 . 5.500 2.904 2.341 3.569 . 0 0 "[ . 1 . 2 ]" 6
221 1 17 PHE QB 1 33 VAL QG 6.000 . 6.500 3.378 3.124 3.852 . 0 0 "[ . 1 . 2 ]" 6
222 1 17 PHE QB 1 66 PHE QD 6.000 . 6.500 5.273 4.618 6.040 . 0 0 "[ . 1 . 2 ]" 6
223 1 17 PHE QD 1 25 ILE HB 6.000 . 6.500 4.982 3.618 6.126 . 0 0 "[ . 1 . 2 ]" 6
224 1 17 PHE QD 1 25 ILE MD 5.000 . 5.500 3.048 1.890 3.857 . 0 0 "[ . 1 . 2 ]" 6
225 1 17 PHE QD 1 25 ILE QG 6.000 . 6.500 4.040 1.978 4.912 . 0 0 "[ . 1 . 2 ]" 6
226 1 17 PHE QD 1 25 ILE MG 5.000 . 5.500 2.812 1.971 3.799 . 0 0 "[ . 1 . 2 ]" 6
227 1 17 PHE QD 1 30 LEU HA 5.000 . 5.500 3.306 2.481 4.096 . 0 0 "[ . 1 . 2 ]" 6
228 1 17 PHE QD 1 30 LEU QB 6.000 . 6.500 4.618 4.112 5.285 . 0 0 "[ . 1 . 2 ]" 6
229 1 17 PHE QD 1 30 LEU QD 6.000 . 6.500 3.089 1.943 4.085 . 0 0 "[ . 1 . 2 ]" 6
230 1 17 PHE QD 1 33 VAL HB 6.000 . 6.500 3.873 2.379 4.909 . 0 0 "[ . 1 . 2 ]" 6
231 1 17 PHE QD 1 33 VAL QG 6.000 . 6.500 2.542 1.930 2.914 . 0 0 "[ . 1 . 2 ]" 6
232 1 17 PHE QD 1 34 MET QG 6.000 . 6.500 5.483 4.575 6.400 . 0 0 "[ . 1 . 2 ]" 6
233 1 17 PHE QE 1 30 LEU HA 6.000 . 6.500 3.533 2.702 4.320 . 0 0 "[ . 1 . 2 ]" 6
234 1 17 PHE QE 1 30 LEU HG 6.000 . 6.500 3.072 2.328 5.261 . 0 0 "[ . 1 . 2 ]" 6
235 1 17 PHE QE 1 30 LEU QD 5.000 . 5.500 2.418 1.868 3.460 . 0 0 "[ . 1 . 2 ]" 6
236 1 17 PHE QE 1 33 VAL HB 6.000 . 6.500 3.707 2.072 5.480 . 0 0 "[ . 1 . 2 ]" 6
237 1 17 PHE QE 1 33 VAL QG 6.000 . 6.500 2.609 2.105 3.165 . 0 0 "[ . 1 . 2 ]" 6
238 1 17 PHE QE 1 34 MET ME 6.000 . 6.500 4.132 2.951 5.358 . 0 0 "[ . 1 . 2 ]" 6
239 1 17 PHE QE 1 37 LEU QD 5.000 . 5.500 3.635 2.429 4.769 . 0 0 "[ . 1 . 2 ]" 6
240 1 17 PHE QE 2 15 ALA MB 6.000 . 6.500 4.496 3.749 5.720 . 0 0 "[ . 1 . 2 ]" 6
241 1 18 ASP HA 1 19 ARG HA 6.000 . 6.500 4.502 4.473 4.551 . 0 0 "[ . 1 . 2 ]" 6
242 1 18 ASP HA 1 25 ILE HA 5.000 . 5.500 4.060 3.537 4.576 . 0 0 "[ . 1 . 2 ]" 6
243 1 18 ASP HA 1 25 ILE MD 5.000 . 5.500 4.368 3.514 5.499 . 0 0 "[ . 1 . 2 ]" 6
244 1 18 ASP HA 1 25 ILE QG 6.000 . 6.500 3.076 2.383 4.196 . 0 0 "[ . 1 . 2 ]" 6
245 1 18 ASP HA 1 25 ILE MG 5.000 . 5.500 3.740 2.957 4.636 . 0 0 "[ . 1 . 2 ]" 6
246 1 18 ASP HA 1 29 GLU QB 6.000 . 6.500 3.746 2.280 4.509 . 0 0 "[ . 1 . 2 ]" 6
247 1 18 ASP QB 1 25 ILE MD 6.000 . 6.500 3.800 2.818 4.908 . 0 0 "[ . 1 . 2 ]" 6
248 1 18 ASP QB 1 25 ILE QG 6.000 . 6.500 3.250 2.343 4.202 . 0 0 "[ . 1 . 2 ]" 6
249 1 19 ARG QB 1 20 ASP QB 5.000 . 5.500 4.309 3.780 5.159 . 0 0 "[ . 1 . 2 ]" 6
250 1 19 ARG QB 1 29 GLU HA 6.000 . 6.500 4.744 3.147 6.508 0.008 19 0 "[ . 1 . 2 ]" 6
251 1 19 ARG QB 1 29 GLU QB 6.000 . 6.500 4.326 2.831 5.898 . 0 0 "[ . 1 . 2 ]" 6
252 1 19 ARG QB 1 29 GLU QG 5.000 . 5.500 3.795 2.635 5.238 . 0 0 "[ . 1 . 2 ]" 6
253 1 19 ARG QB 1 33 VAL QG 6.000 . 6.500 4.321 3.552 6.031 . 0 0 "[ . 1 . 2 ]" 6
254 1 19 ARG QD 1 29 GLU HA 5.000 . 5.500 4.748 3.553 5.503 0.003 20 0 "[ . 1 . 2 ]" 6
255 1 19 ARG QD 1 29 GLU QB 6.000 . 6.500 5.010 3.322 6.109 . 0 0 "[ . 1 . 2 ]" 6
256 1 19 ARG QD 1 29 GLU QG 6.000 . 6.500 4.573 3.517 5.916 . 0 0 "[ . 1 . 2 ]" 6
257 1 19 ARG QD 1 32 HIS QB 5.000 . 5.500 3.660 2.581 5.067 . 0 0 "[ . 1 . 2 ]" 6
258 1 19 ARG QD 1 32 HIS HD2 6.000 . 6.500 4.418 3.380 6.259 . 0 0 "[ . 1 . 2 ]" 6
259 1 19 ARG QD 1 33 VAL QG 5.000 . 5.500 3.830 2.310 5.348 . 0 0 "[ . 1 . 2 ]" 6
260 1 19 ARG QG 1 20 ASP QB 6.000 . 6.500 5.616 3.199 6.173 . 0 0 "[ . 1 . 2 ]" 6
261 1 19 ARG QG 1 32 HIS HD2 6.000 . 6.500 5.723 4.598 6.327 . 0 0 "[ . 1 . 2 ]" 6
262 1 19 ARG QG 1 33 VAL QG 5.000 . 5.500 3.704 2.118 5.421 . 0 0 "[ . 1 . 2 ]" 6
263 1 20 ASP HA 1 21 GLY QA 6.000 . 6.500 4.301 4.243 4.324 . 0 0 "[ . 1 . 2 ]" 6
264 1 22 ASN HA 1 24 LEU QD 6.000 . 6.500 5.197 4.392 6.481 . 0 0 "[ . 1 . 2 ]" 6
265 1 22 ASN QB 1 24 LEU QD 6.000 . 6.500 3.714 2.655 4.834 . 0 0 "[ . 1 . 2 ]" 6
266 1 23 GLY QA 1 24 LEU HA 6.000 . 6.500 4.011 3.997 4.032 . 0 0 "[ . 1 . 2 ]" 6
267 1 23 GLY QA 1 24 LEU HG 6.000 . 6.500 3.964 3.416 5.412 . 0 0 "[ . 1 . 2 ]" 6
268 1 23 GLY QA 1 24 LEU QD 5.000 . 5.500 3.460 2.563 4.293 . 0 0 "[ . 1 . 2 ]" 6
269 1 24 LEU HA 1 24 LEU QD 3.000 . 3.500 2.701 1.907 3.409 . 0 0 "[ . 1 . 2 ]" 6
270 1 24 LEU HA 1 25 ILE MD 6.000 . 6.500 4.482 3.252 4.953 . 0 0 "[ . 1 . 2 ]" 6
271 1 24 LEU HA 1 25 ILE MG 6.000 . 6.500 5.438 5.411 5.458 . 0 0 "[ . 1 . 2 ]" 6
272 1 24 LEU HA 1 60 HIS HA 6.000 . 6.500 5.771 5.026 6.496 . 0 0 "[ . 1 . 2 ]" 6
273 1 24 LEU HA 1 60 HIS QB 6.000 . 6.500 3.650 2.684 4.737 . 0 0 "[ . 1 . 2 ]" 6
274 1 24 LEU HA 1 61 ILE MG 6.000 . 6.500 5.591 5.020 6.135 . 0 0 "[ . 1 . 2 ]" 6
275 1 24 LEU HA 1 62 ASN HA 5.000 . 5.500 3.355 2.813 3.757 . 0 0 "[ . 1 . 2 ]" 6
276 1 24 LEU HA 1 62 ASN QB 6.000 . 6.500 4.941 4.325 5.386 . 0 0 "[ . 1 . 2 ]" 6
277 1 24 LEU HA 1 62 ASN QD 6.000 . 6.500 4.505 2.842 5.336 . 0 0 "[ . 1 . 2 ]" 6
278 1 24 LEU HG 1 60 HIS QB 6.000 . 6.500 3.962 2.755 4.412 . 0 0 "[ . 1 . 2 ]" 6
279 1 24 LEU HG 1 62 ASN HA 6.000 . 6.500 4.224 2.772 5.663 . 0 0 "[ . 1 . 2 ]" 6
280 1 24 LEU HG 1 62 ASN QB 6.000 . 6.500 4.771 3.164 6.370 . 0 0 "[ . 1 . 2 ]" 6
281 1 24 LEU QB 1 60 HIS HA 6.000 . 6.500 4.276 3.843 4.730 . 0 0 "[ . 1 . 2 ]" 6
282 1 24 LEU QB 1 60 HIS QB 5.000 . 5.500 2.099 1.855 2.621 . 0 0 "[ . 1 . 2 ]" 6
283 1 24 LEU QB 1 60 HIS HD2 6.000 . 6.500 3.262 2.084 5.210 . 0 0 "[ . 1 . 2 ]" 6
284 1 24 LEU QB 1 62 ASN HA 6.000 . 6.500 4.667 2.624 5.425 . 0 0 "[ . 1 . 2 ]" 6
285 1 24 LEU QD 1 56 ASP QB 6.000 . 6.500 5.461 4.578 6.335 . 0 0 "[ . 1 . 2 ]" 6
286 1 24 LEU QD 1 58 ASP QB 6.000 . 6.500 4.241 3.327 5.743 . 0 0 "[ . 1 . 2 ]" 6
287 1 24 LEU QD 1 60 HIS HA 6.000 . 6.500 4.239 3.635 4.789 . 0 0 "[ . 1 . 2 ]" 6
288 1 24 LEU QD 1 60 HIS QB 5.000 . 5.500 2.021 1.765 2.486 . 0 0 "[ . 1 . 2 ]" 6
289 1 24 LEU QD 1 60 HIS HD2 6.000 . 6.500 3.980 2.800 5.351 . 0 0 "[ . 1 . 2 ]" 6
290 1 24 LEU QD 1 62 ASN HA 5.000 . 5.500 3.477 1.939 4.261 . 0 0 "[ . 1 . 2 ]" 6
291 1 24 LEU QD 1 62 ASN QB 4.000 . 4.500 3.369 1.918 4.157 . 0 0 "[ . 1 . 2 ]" 6
292 1 25 ILE HA 1 29 GLU QB 6.000 . 6.500 3.033 2.562 3.525 . 0 0 "[ . 1 . 2 ]" 6
293 1 25 ILE HA 1 61 ILE HB 6.000 . 6.500 5.056 4.566 5.723 . 0 0 "[ . 1 . 2 ]" 6
294 1 25 ILE HB 1 26 SER HA 6.000 . 6.500 4.892 4.736 5.051 . 0 0 "[ . 1 . 2 ]" 6
295 1 25 ILE HB 1 30 LEU QB 6.000 . 6.500 4.763 3.938 5.218 . 0 0 "[ . 1 . 2 ]" 6
296 1 25 ILE HB 1 61 ILE HA 6.000 . 6.500 4.899 4.471 5.907 . 0 0 "[ . 1 . 2 ]" 6
297 1 25 ILE HB 1 61 ILE HB 5.000 . 5.500 2.258 1.993 3.054 . 0 0 "[ . 1 . 2 ]" 6
298 1 25 ILE HB 1 61 ILE MD 6.000 . 6.500 3.106 2.200 4.676 . 0 0 "[ . 1 . 2 ]" 6
299 1 25 ILE HB 1 61 ILE QG 6.000 . 6.500 3.507 2.748 4.706 . 0 0 "[ . 1 . 2 ]" 6
300 1 25 ILE HB 1 61 ILE MG 5.000 . 5.500 3.798 3.394 4.361 . 0 0 "[ . 1 . 2 ]" 6
301 1 25 ILE MD 1 26 SER HA 6.000 . 6.500 6.362 6.090 6.506 0.006 11 0 "[ . 1 . 2 ]" 6
302 1 25 ILE MD 1 30 LEU HA 6.000 . 6.500 5.165 4.568 5.775 . 0 0 "[ . 1 . 2 ]" 6
303 1 25 ILE MD 1 30 LEU QB 6.000 . 6.500 5.046 4.481 5.628 . 0 0 "[ . 1 . 2 ]" 6
304 1 25 ILE MD 1 30 LEU QD 6.000 . 6.500 3.663 2.868 4.686 . 0 0 "[ . 1 . 2 ]" 6
305 1 25 ILE MD 1 61 ILE HA 6.000 . 6.500 5.087 4.504 5.728 . 0 0 "[ . 1 . 2 ]" 6
306 1 25 ILE MD 1 61 ILE HB 5.000 . 5.500 2.739 2.056 3.465 . 0 0 "[ . 1 . 2 ]" 6
307 1 25 ILE MD 1 61 ILE MD 6.000 . 6.500 3.409 2.266 5.143 . 0 0 "[ . 1 . 2 ]" 6
308 1 25 ILE MD 1 61 ILE QG 6.000 . 6.500 4.368 3.721 4.983 . 0 0 "[ . 1 . 2 ]" 6
309 1 25 ILE MD 1 61 ILE MG 4.000 . 4.500 3.071 2.500 3.571 . 0 0 "[ . 1 . 2 ]" 6
310 1 25 ILE MD 1 62 ASN HA 6.000 . 6.500 4.588 3.670 5.149 . 0 0 "[ . 1 . 2 ]" 6
311 1 25 ILE MD 1 63 TYR HA 6.000 . 6.500 4.935 4.445 5.566 . 0 0 "[ . 1 . 2 ]" 6
312 1 25 ILE MD 1 66 PHE HA 6.000 . 6.500 5.210 4.665 5.774 . 0 0 "[ . 1 . 2 ]" 6
313 1 25 ILE MD 1 66 PHE QB 5.000 . 5.500 3.708 3.128 4.257 . 0 0 "[ . 1 . 2 ]" 6
314 1 25 ILE QG 1 26 SER HA 6.000 . 6.500 5.928 5.869 6.033 . 0 0 "[ . 1 . 2 ]" 6
315 1 25 ILE QG 1 61 ILE HB 6.000 . 6.500 3.786 2.952 4.891 . 0 0 "[ . 1 . 2 ]" 6
316 1 25 ILE MG 1 26 SER HA 5.000 . 5.500 4.077 3.775 4.477 . 0 0 "[ . 1 . 2 ]" 6
317 1 25 ILE MG 1 27 ALA HA 5.000 . 5.500 4.639 4.529 4.743 . 0 0 "[ . 1 . 2 ]" 6
318 1 25 ILE MG 1 29 GLU QB 5.000 . 5.500 2.122 1.780 2.705 . 0 0 "[ . 1 . 2 ]" 6
319 1 25 ILE MG 1 29 GLU QG 6.000 . 6.500 3.851 3.454 4.532 . 0 0 "[ . 1 . 2 ]" 6
320 1 25 ILE MG 1 30 LEU HA 5.000 . 5.500 3.172 2.046 3.687 . 0 0 "[ . 1 . 2 ]" 6
321 1 25 ILE MG 1 30 LEU QB 5.000 . 5.500 2.772 2.160 3.199 . 0 0 "[ . 1 . 2 ]" 6
322 1 25 ILE MG 1 31 ARG H 6.000 . 6.500 5.062 4.285 5.481 . 0 0 "[ . 1 . 2 ]" 6
323 1 25 ILE MG 1 33 VAL HB 6.000 . 6.500 5.406 4.361 6.504 0.004 17 0 "[ . 1 . 2 ]" 6
324 1 25 ILE MG 1 33 VAL QG 5.000 . 5.500 3.637 3.043 3.862 . 0 0 "[ . 1 . 2 ]" 6
325 1 25 ILE MG 1 60 HIS HA 6.000 . 6.500 5.140 4.849 5.689 . 0 0 "[ . 1 . 2 ]" 6
326 1 25 ILE MG 1 66 PHE QD 6.000 . 6.500 5.276 4.359 5.928 . 0 0 "[ . 1 . 2 ]" 6
327 1 26 SER HA 1 27 ALA HA 6.000 . 6.500 4.314 4.297 4.342 . 0 0 "[ . 1 . 2 ]" 6
328 1 26 SER HA 1 27 ALA MB 6.000 . 6.500 4.223 4.170 4.284 . 0 0 "[ . 1 . 2 ]" 6
329 1 26 SER HA 1 29 GLU QB 6.000 . 6.500 4.442 4.135 4.817 . 0 0 "[ . 1 . 2 ]" 6
330 1 26 SER HA 1 50 ILE MD 6.000 . 6.500 3.895 3.423 4.408 . 0 0 "[ . 1 . 2 ]" 6
331 1 26 SER HA 1 60 HIS HA 5.000 . 5.500 2.789 2.448 3.154 . 0 0 "[ . 1 . 2 ]" 6
332 1 26 SER HA 1 60 HIS QB 6.000 . 6.500 4.000 3.488 4.411 . 0 0 "[ . 1 . 2 ]" 6
333 1 26 SER HA 1 60 HIS HD2 6.000 . 6.500 2.671 1.999 3.462 . 0 0 "[ . 1 . 2 ]" 6
334 1 26 SER QB 1 27 ALA HA 5.000 . 5.500 4.440 4.209 4.618 . 0 0 "[ . 1 . 2 ]" 6
335 1 26 SER QB 1 28 ALA HA 6.000 . 6.500 5.184 4.807 5.885 . 0 0 "[ . 1 . 2 ]" 6
336 1 26 SER QB 1 50 ILE MD 6.000 . 6.500 4.822 4.258 5.415 . 0 0 "[ . 1 . 2 ]" 6
337 1 26 SER QB 1 60 HIS HA 6.000 . 6.500 4.429 3.818 4.943 . 0 0 "[ . 1 . 2 ]" 6
338 1 26 SER QB 1 60 HIS HD2 5.000 . 5.500 2.630 2.106 4.094 . 0 0 "[ . 1 . 2 ]" 6
339 1 27 ALA HA 1 28 ALA HA 5.000 . 5.500 4.755 4.657 4.825 . 0 0 "[ . 1 . 2 ]" 6
340 1 27 ALA HA 1 30 LEU QB 5.000 . 5.500 2.996 2.756 3.419 . 0 0 "[ . 1 . 2 ]" 6
341 1 27 ALA HA 1 30 LEU QD 5.000 . 5.500 3.790 3.525 4.345 . 0 0 "[ . 1 . 2 ]" 6
342 1 27 ALA HA 1 31 ARG H 5.000 . 5.500 4.302 3.871 4.733 . 0 0 "[ . 1 . 2 ]" 6
343 1 27 ALA HA 1 46 VAL HB 6.000 . 6.500 4.786 3.783 5.751 . 0 0 "[ . 1 . 2 ]" 6
344 1 27 ALA HA 1 46 VAL QG 4.000 . 4.500 2.591 2.078 3.044 . 0 0 "[ . 1 . 2 ]" 6
345 1 27 ALA HA 1 50 ILE HB 6.000 . 6.500 4.971 4.491 5.525 . 0 0 "[ . 1 . 2 ]" 6
346 1 27 ALA HA 1 50 ILE MD 4.000 . 4.500 2.115 1.847 2.568 . 0 0 "[ . 1 . 2 ]" 6
347 1 27 ALA HA 1 50 ILE QG 5.000 . 5.500 2.825 2.026 3.792 . 0 0 "[ . 1 . 2 ]" 6
348 1 27 ALA HA 1 50 ILE MG 4.000 . 4.500 4.028 3.425 4.505 0.005 11 0 "[ . 1 . 2 ]" 6
349 1 27 ALA MB 1 30 LEU H 6.000 . 6.500 4.691 4.390 5.203 . 0 0 "[ . 1 . 2 ]" 6
350 1 27 ALA MB 1 30 LEU QB 5.000 . 5.500 4.198 3.892 4.628 . 0 0 "[ . 1 . 2 ]" 6
351 1 27 ALA MB 1 30 LEU QD 5.000 . 5.500 4.521 4.238 5.015 . 0 0 "[ . 1 . 2 ]" 6
352 1 27 ALA MB 1 31 ARG H 6.000 . 6.500 4.780 4.442 5.093 . 0 0 "[ . 1 . 2 ]" 6
353 1 27 ALA MB 1 31 ARG QD 6.000 . 6.500 5.887 5.341 6.505 0.005 19 0 "[ . 1 . 2 ]" 6
354 1 27 ALA MB 1 43 ASP HA 6.000 . 6.500 4.909 4.154 5.681 . 0 0 "[ . 1 . 2 ]" 6
355 1 27 ALA MB 1 46 VAL HA 6.000 . 6.500 5.230 4.578 5.753 . 0 0 "[ . 1 . 2 ]" 6
356 1 27 ALA MB 1 46 VAL HB 5.000 . 5.500 3.626 2.794 5.070 . 0 0 "[ . 1 . 2 ]" 6
357 1 27 ALA MB 1 46 VAL QG 3.000 . 3.500 2.524 1.941 3.046 . 0 0 "[ . 1 . 2 ]" 6
358 1 27 ALA MB 1 47 ASP HA 5.000 . 5.500 3.142 2.694 3.759 . 0 0 "[ . 1 . 2 ]" 6
359 1 27 ALA MB 1 47 ASP QB 6.000 . 6.500 4.101 3.499 4.956 . 0 0 "[ . 1 . 2 ]" 6
360 1 27 ALA MB 1 50 ILE HB 5.000 . 5.500 3.968 3.353 4.530 . 0 0 "[ . 1 . 2 ]" 6
361 1 27 ALA MB 1 50 ILE MD 3.000 . 3.500 2.703 1.821 3.386 . 0 0 "[ . 1 . 2 ]" 6
362 1 27 ALA MB 1 50 ILE QG 5.000 . 5.500 2.803 1.901 4.239 . 0 0 "[ . 1 . 2 ]" 6
363 1 27 ALA MB 1 50 ILE MG 4.000 . 4.500 3.631 2.828 4.428 . 0 0 "[ . 1 . 2 ]" 6
364 1 27 ALA MB 1 60 HIS HA 6.000 . 6.500 5.647 5.211 5.933 . 0 0 "[ . 1 . 2 ]" 6
365 1 28 ALA HA 1 29 GLU QG 5.000 . 5.500 5.203 4.891 5.498 . 0 0 "[ . 1 . 2 ]" 6
366 1 28 ALA HA 1 30 LEU QB 6.000 . 6.500 5.188 4.944 5.603 . 0 0 "[ . 1 . 2 ]" 6
367 1 28 ALA HA 1 31 ARG QB 4.000 . 4.500 3.460 2.523 4.376 . 0 0 "[ . 1 . 2 ]" 6
368 1 28 ALA HA 1 31 ARG QD 5.000 . 5.500 3.896 3.072 4.700 . 0 0 "[ . 1 . 2 ]" 6
369 1 28 ALA HA 1 31 ARG QG 5.000 . 5.500 3.116 1.932 4.915 . 0 0 "[ . 1 . 2 ]" 6
370 1 28 ALA HA 1 46 VAL QG 6.000 . 6.500 4.197 3.707 4.675 . 0 0 "[ . 1 . 2 ]" 6
371 1 28 ALA MB 1 29 GLU HA 5.000 . 5.500 3.826 3.711 3.914 . 0 0 "[ . 1 . 2 ]" 6
372 1 28 ALA MB 1 29 GLU QB 6.000 . 6.500 4.371 4.202 4.521 . 0 0 "[ . 1 . 2 ]" 6
373 1 28 ALA MB 1 29 GLU QG 6.000 . 6.500 3.358 3.127 3.593 . 0 0 "[ . 1 . 2 ]" 6
374 1 28 ALA MB 1 32 HIS QB 6.000 . 6.500 4.357 4.031 5.482 . 0 0 "[ . 1 . 2 ]" 6
375 1 29 GLU HA 1 30 LEU H 6.000 . 6.500 3.518 3.449 3.569 . 0 0 "[ . 1 . 2 ]" 6
376 1 29 GLU HA 1 31 ARG H 6.000 . 6.500 4.443 3.878 4.862 . 0 0 "[ . 1 . 2 ]" 6
377 1 29 GLU HA 1 32 HIS QB 5.000 . 5.500 2.768 2.406 4.486 . 0 0 "[ . 1 . 2 ]" 6
378 1 29 GLU HA 1 32 HIS HD2 6.000 . 6.500 6.056 5.082 6.462 . 0 0 "[ . 1 . 2 ]" 6
379 1 29 GLU HA 1 33 VAL QG 6.000 . 6.500 4.010 3.582 4.575 . 0 0 "[ . 1 . 2 ]" 6
380 1 29 GLU QB 1 30 LEU HA 6.000 . 6.500 3.885 3.727 3.996 . 0 0 "[ . 1 . 2 ]" 6
381 1 29 GLU QB 1 30 LEU QB 6.000 . 6.500 3.880 3.676 4.061 . 0 0 "[ . 1 . 2 ]" 6
382 1 29 GLU QB 1 31 ARG H 5.000 . 5.500 4.743 4.195 5.096 . 0 0 "[ . 1 . 2 ]" 6
383 1 30 LEU HA 1 30 LEU QD 4.000 . 4.500 2.386 1.930 2.991 . 0 0 "[ . 1 . 2 ]" 6
384 1 30 LEU HA 1 31 ARG H 5.000 . 5.500 3.523 3.383 3.568 . 0 0 "[ . 1 . 2 ]" 6
385 1 30 LEU HA 1 33 VAL H 6.000 . 6.500 3.555 3.085 3.826 . 0 0 "[ . 1 . 2 ]" 6
386 1 30 LEU HA 1 33 VAL QG 6.000 . 6.500 2.554 1.900 3.320 . 0 0 "[ . 1 . 2 ]" 6
387 1 30 LEU HA 1 34 MET QG 6.000 . 6.500 4.266 3.771 5.494 . 0 0 "[ . 1 . 2 ]" 6
388 1 30 LEU HA 1 46 VAL QG 6.000 . 6.500 4.544 4.254 5.074 . 0 0 "[ . 1 . 2 ]" 6
389 1 30 LEU HA 1 50 ILE MD 6.000 . 6.500 5.250 4.497 6.149 . 0 0 "[ . 1 . 2 ]" 6
390 1 30 LEU H 1 30 LEU HG 5.000 . 5.500 4.282 3.809 4.542 . 0 0 "[ . 1 . 2 ]" 6
391 1 30 LEU HG 1 31 ARG H 5.000 . 5.500 4.782 4.062 5.209 . 0 0 "[ . 1 . 2 ]" 6
392 1 30 LEU HG 1 46 VAL QG 5.000 . 5.500 4.127 2.658 4.825 . 0 0 "[ . 1 . 2 ]" 6
393 1 30 LEU H 1 46 VAL QG 6.000 . 6.500 3.949 3.563 4.384 . 0 0 "[ . 1 . 2 ]" 6
394 1 30 LEU H 1 50 ILE MD 6.000 . 6.500 4.227 3.744 4.819 . 0 0 "[ . 1 . 2 ]" 6
395 1 30 LEU QB 1 31 ARG H 5.000 . 5.500 2.600 2.250 3.199 . 0 0 "[ . 1 . 2 ]" 6
396 1 30 LEU QB 1 46 VAL QG 5.000 . 5.500 2.260 1.892 2.838 . 0 0 "[ . 1 . 2 ]" 6
397 1 30 LEU QB 1 50 ILE MD 5.000 . 5.500 2.786 2.161 3.558 . 0 0 "[ . 1 . 2 ]" 6
398 1 30 LEU QB 1 50 ILE MG 6.000 . 6.500 4.862 4.394 5.216 . 0 0 "[ . 1 . 2 ]" 6
399 1 30 LEU QD 1 34 MET QG 5.000 . 5.500 2.589 1.746 3.812 . 0 0 "[ . 1 . 2 ]" 6
400 1 30 LEU QD 1 46 VAL HA 5.000 . 5.500 3.748 3.202 4.297 . 0 0 "[ . 1 . 2 ]" 6
401 1 30 LEU QD 1 46 VAL HB 5.000 . 5.500 4.753 3.814 5.227 . 0 0 "[ . 1 . 2 ]" 6
402 1 30 LEU QD 1 46 VAL QG 4.000 . 4.500 2.363 1.848 2.761 . 0 0 "[ . 1 . 2 ]" 6
403 1 30 LEU QD 1 49 MET QB 5.000 . 5.500 2.879 2.322 3.452 . 0 0 "[ . 1 . 2 ]" 6
404 1 30 LEU QD 1 50 ILE HA 5.000 . 5.500 3.907 3.458 4.422 . 0 0 "[ . 1 . 2 ]" 6
405 1 30 LEU QD 1 50 ILE HB 6.000 . 6.500 5.039 4.671 5.350 . 0 0 "[ . 1 . 2 ]" 6
406 1 30 LEU QD 1 50 ILE MD 4.000 . 4.500 2.417 1.700 3.470 0.000 6 0 "[ . 1 . 2 ]" 6
407 1 30 LEU QD 1 50 ILE QG 5.000 . 5.500 2.957 2.287 3.517 . 0 0 "[ . 1 . 2 ]" 6
408 1 30 LEU QD 1 60 HIS HA 6.000 . 6.500 5.979 5.568 6.397 . 0 0 "[ . 1 . 2 ]" 6
409 1 30 LEU QD 2 12 ILE QG 6.000 . 6.500 3.729 2.924 4.407 . 0 0 "[ . 1 . 2 ]" 6
410 1 30 LEU QD 2 12 ILE MD 5.000 . 5.500 3.443 2.455 4.622 . 0 0 "[ . 1 . 2 ]" 6
411 1 31 ARG HA 1 32 HIS HA 6.000 . 6.500 4.763 4.655 4.824 . 0 0 "[ . 1 . 2 ]" 6
412 1 31 ARG HA 1 34 MET QB 6.000 . 6.500 2.386 2.104 3.311 . 0 0 "[ . 1 . 2 ]" 6
413 1 31 ARG HA 1 34 MET QG 6.000 . 6.500 3.467 3.036 4.293 . 0 0 "[ . 1 . 2 ]" 6
414 1 31 ARG HA 1 35 THR MG 6.000 . 6.500 5.519 4.468 6.502 0.002 1 0 "[ . 1 . 2 ]" 6
415 1 31 ARG HA 1 41 LEU QB 6.000 . 6.500 4.056 3.096 6.003 . 0 0 "[ . 1 . 2 ]" 6
416 1 31 ARG HA 1 41 LEU QD 5.000 . 5.500 3.746 2.691 4.548 . 0 0 "[ . 1 . 2 ]" 6
417 1 31 ARG HA 1 46 VAL HB 6.000 . 6.500 5.430 4.468 6.127 . 0 0 "[ . 1 . 2 ]" 6
418 1 31 ARG HA 1 46 VAL QG 4.000 . 4.500 2.941 2.261 3.522 . 0 0 "[ . 1 . 2 ]" 6
419 1 31 ARG H 1 50 ILE MD 6.000 . 6.500 4.938 4.463 5.327 . 0 0 "[ . 1 . 2 ]" 6
420 1 31 ARG QB 1 46 VAL HB 5.000 . 5.500 3.775 2.940 4.425 . 0 0 "[ . 1 . 2 ]" 6
421 1 31 ARG QB 1 46 VAL QG 4.000 . 4.500 2.216 1.874 2.930 . 0 0 "[ . 1 . 2 ]" 6
422 1 31 ARG QD 1 32 HIS HD2 6.000 . 6.500 6.064 5.355 6.507 0.007 19 0 "[ . 1 . 2 ]" 6
423 1 31 ARG QD 1 42 THR HA 6.000 . 6.500 5.776 4.307 6.502 0.002 2 0 "[ . 1 . 2 ]" 6
424 1 31 ARG QD 1 43 ASP HA 5.000 . 5.500 5.192 4.623 5.502 0.002 19 0 "[ . 1 . 2 ]" 6
425 1 31 ARG QD 1 43 ASP QB 6.000 . 6.500 5.752 4.799 6.501 0.001 1 0 "[ . 1 . 2 ]" 6
426 1 31 ARG QD 1 46 VAL HB 6.000 . 6.500 5.796 5.219 6.346 . 0 0 "[ . 1 . 2 ]" 6
427 1 31 ARG QD 1 46 VAL QG 5.000 . 5.500 3.881 3.483 4.459 . 0 0 "[ . 1 . 2 ]" 6
428 1 31 ARG QG 1 32 HIS HA 6.000 . 6.500 4.205 3.366 5.265 . 0 0 "[ . 1 . 2 ]" 6
429 1 31 ARG QG 1 32 HIS QB 6.000 . 6.500 4.186 2.930 5.865 . 0 0 "[ . 1 . 2 ]" 6
430 1 31 ARG QG 1 35 THR HB 6.000 . 6.500 5.660 3.706 6.502 0.002 8 0 "[ . 1 . 2 ]" 6
431 1 31 ARG QG 1 43 ASP HA 5.000 . 5.500 4.592 3.432 5.499 . 0 0 "[ . 1 . 2 ]" 6
432 1 31 ARG QG 1 46 VAL HB 5.000 . 5.500 4.443 3.753 5.045 . 0 0 "[ . 1 . 2 ]" 6
433 1 31 ARG QG 1 46 VAL QG 6.000 . 6.500 2.721 1.976 3.446 . 0 0 "[ . 1 . 2 ]" 6
434 1 32 HIS HA 1 33 VAL HA 6.000 . 6.500 4.700 4.653 4.775 . 0 0 "[ . 1 . 2 ]" 6
435 1 32 HIS HA 1 35 THR HB 4.000 . 4.500 3.735 2.861 4.437 . 0 0 "[ . 1 . 2 ]" 6
436 1 32 HIS HA 1 35 THR MG 5.000 . 5.500 3.538 2.054 4.858 . 0 0 "[ . 1 . 2 ]" 6
437 1 32 HIS QB 1 33 VAL HA 6.000 . 6.500 3.927 3.762 4.526 . 0 0 "[ . 1 . 2 ]" 6
438 1 32 HIS QB 1 33 VAL QG 6.000 . 6.500 3.197 2.704 4.068 . 0 0 "[ . 1 . 2 ]" 6
439 1 32 HIS QB 1 35 THR HB 6.000 . 6.500 5.536 4.150 6.307 . 0 0 "[ . 1 . 2 ]" 6
440 1 32 HIS QB 1 35 THR MG 6.000 . 6.500 5.028 3.802 6.291 . 0 0 "[ . 1 . 2 ]" 6
441 1 32 HIS HD2 1 33 VAL HA 5.000 . 5.500 4.811 2.391 5.455 . 0 0 "[ . 1 . 2 ]" 6
442 1 32 HIS HD2 1 33 VAL QG 6.000 . 6.500 4.769 2.024 5.916 . 0 0 "[ . 1 . 2 ]" 6
443 1 32 HIS HD2 1 36 ASN QB 6.000 . 6.500 4.819 4.015 5.712 . 0 0 "[ . 1 . 2 ]" 6
444 1 33 VAL HA 1 34 MET HA 6.000 . 6.500 4.782 4.722 4.821 . 0 0 "[ . 1 . 2 ]" 6
445 1 33 VAL HA 1 35 THR HB 6.000 . 6.500 5.743 4.752 6.501 0.001 4 0 "[ . 1 . 2 ]" 6
446 1 33 VAL HA 1 35 THR MG 6.000 . 6.500 5.254 3.775 6.447 . 0 0 "[ . 1 . 2 ]" 6
447 1 33 VAL HA 1 36 ASN HA 6.000 . 6.500 5.573 5.285 6.143 . 0 0 "[ . 1 . 2 ]" 6
448 1 33 VAL HA 1 36 ASN QB 4.000 . 4.500 2.849 2.560 4.502 0.002 10 0 "[ . 1 . 2 ]" 6
449 1 33 VAL HA 1 37 LEU HG 6.000 . 6.500 6.193 5.670 6.503 0.003 6 0 "[ . 1 . 2 ]" 6
450 1 33 VAL HA 1 37 LEU QD 6.000 . 6.500 3.780 3.186 5.017 . 0 0 "[ . 1 . 2 ]" 6
451 1 33 VAL HB 1 37 LEU QD 6.000 . 6.500 3.804 2.316 4.869 . 0 0 "[ . 1 . 2 ]" 6
452 1 33 VAL QG 1 34 MET HA 6.000 . 6.500 3.497 2.973 3.787 . 0 0 "[ . 1 . 2 ]" 6
453 1 33 VAL QG 1 35 THR MG 6.000 . 6.500 5.345 4.264 6.242 . 0 0 "[ . 1 . 2 ]" 6
454 1 33 VAL QG 1 36 ASN QB 5.000 . 5.500 3.658 3.173 4.692 . 0 0 "[ . 1 . 2 ]" 6
455 1 33 VAL QG 1 37 LEU HG 6.000 . 6.500 4.187 3.230 5.708 . 0 0 "[ . 1 . 2 ]" 6
456 1 33 VAL QG 1 37 LEU QB 6.000 . 6.500 3.651 3.062 4.452 . 0 0 "[ . 1 . 2 ]" 6
457 1 33 VAL QG 1 37 LEU QD 5.000 . 5.500 2.441 1.753 3.994 . 0 0 "[ . 1 . 2 ]" 6
458 1 33 VAL QG 2 15 ALA MB 6.000 . 6.500 4.719 3.982 5.327 . 0 0 "[ . 1 . 2 ]" 6
459 1 33 VAL QG 2 16 TYR QD 6.000 . 6.500 6.254 5.681 6.502 0.002 13 0 "[ . 1 . 2 ]" 6
460 1 34 MET HA 1 37 LEU QB 5.000 . 5.500 2.574 2.241 2.859 . 0 0 "[ . 1 . 2 ]" 6
461 1 34 MET HA 1 37 LEU QD 5.000 . 5.500 3.497 2.764 4.133 . 0 0 "[ . 1 . 2 ]" 6
462 1 34 MET HA 1 39 GLU QG 6.000 . 6.500 4.962 3.542 5.655 . 0 0 "[ . 1 . 2 ]" 6
463 1 34 MET HA 1 41 LEU QD 6.000 . 6.500 4.260 3.908 4.832 . 0 0 "[ . 1 . 2 ]" 6
464 1 34 MET HA 1 49 MET ME 6.000 . 6.500 6.010 5.595 6.497 . 0 0 "[ . 1 . 2 ]" 6
465 1 34 MET HA 2 15 ALA MB 6.000 . 6.500 4.114 3.367 4.612 . 0 0 "[ . 1 . 2 ]" 6
466 1 34 MET QB 1 34 MET ME 4.000 . 4.500 3.407 2.589 3.692 . 0 0 "[ . 1 . 2 ]" 6
467 1 34 MET QB 1 39 GLU QB 6.000 . 6.500 2.726 2.154 3.373 . 0 0 "[ . 1 . 2 ]" 6
468 1 34 MET QB 1 40 LYS QE 6.000 . 6.500 5.894 5.037 6.484 . 0 0 "[ . 1 . 2 ]" 6
469 1 34 MET QB 1 41 LEU QD 5.000 . 5.500 2.196 1.839 2.767 . 0 0 "[ . 1 . 2 ]" 6
470 1 34 MET ME 1 39 GLU HA 6.000 . 6.500 5.937 5.006 6.503 0.003 4 0 "[ . 1 . 2 ]" 6
471 1 34 MET ME 1 39 GLU QG 5.000 . 5.500 3.714 2.601 5.052 . 0 0 "[ . 1 . 2 ]" 6
472 1 34 MET ME 1 41 LEU QB 6.000 . 6.500 4.825 3.810 5.852 . 0 0 "[ . 1 . 2 ]" 6
473 1 34 MET ME 2 11 VAL QG 5.000 . 5.500 2.575 1.849 3.601 . 0 0 "[ . 1 . 2 ]" 6
474 1 34 MET ME 2 12 ILE HA 4.000 . 4.500 2.665 2.065 3.066 . 0 0 "[ . 1 . 2 ]" 6
475 1 34 MET ME 2 12 ILE HB 6.000 . 6.500 4.921 4.368 5.429 . 0 0 "[ . 1 . 2 ]" 6
476 1 34 MET ME 2 12 ILE MD 5.000 . 5.500 3.585 1.969 4.850 . 0 0 "[ . 1 . 2 ]" 6
477 1 34 MET ME 2 12 ILE QG 6.000 . 6.500 3.288 1.970 4.477 . 0 0 "[ . 1 . 2 ]" 6
478 1 34 MET ME 2 12 ILE MG 5.000 . 5.500 3.458 2.653 4.045 . 0 0 "[ . 1 . 2 ]" 6
479 1 34 MET QG 1 37 LEU QD 6.000 . 6.500 4.410 3.579 5.323 . 0 0 "[ . 1 . 2 ]" 6
480 1 34 MET QG 1 41 LEU QD 5.000 . 5.500 2.597 1.889 3.682 . 0 0 "[ . 1 . 2 ]" 6
481 1 34 MET QG 1 49 MET ME 6.000 . 6.500 3.247 2.660 3.906 . 0 0 "[ . 1 . 2 ]" 6
482 1 35 THR HA 1 38 GLY QA 5.000 . 5.500 4.442 4.121 4.787 . 0 0 "[ . 1 . 2 ]" 6
483 1 35 THR HA 1 40 LYS HA 5.000 . 5.500 3.720 3.206 4.175 . 0 0 "[ . 1 . 2 ]" 6
484 1 35 THR HA 1 40 LYS QG 6.000 . 6.500 4.410 3.510 5.346 . 0 0 "[ . 1 . 2 ]" 6
485 1 35 THR HA 1 41 LEU QD 6.000 . 6.500 4.688 3.942 5.573 . 0 0 "[ . 1 . 2 ]" 6
486 1 35 THR HB 1 36 ASN HA 6.000 . 6.500 4.823 4.148 5.663 . 0 0 "[ . 1 . 2 ]" 6
487 1 35 THR HB 1 36 ASN QB 6.000 . 6.500 4.759 3.960 5.751 . 0 0 "[ . 1 . 2 ]" 6
488 1 35 THR HB 1 40 LYS QD 6.000 . 6.500 5.501 4.078 6.499 . 0 0 "[ . 1 . 2 ]" 6
489 1 35 THR HB 1 41 LEU QD 6.000 . 6.500 5.766 4.197 6.500 . 0 0 "[ . 1 . 2 ]" 6
490 1 35 THR MG 1 36 ASN HA 5.000 . 5.500 3.617 3.256 4.006 . 0 0 "[ . 1 . 2 ]" 6
491 1 35 THR MG 1 36 ASN QB 6.000 . 6.500 3.977 2.981 4.920 . 0 0 "[ . 1 . 2 ]" 6
492 1 35 THR MG 1 40 LYS HA 6.000 . 6.500 4.710 3.485 6.046 . 0 0 "[ . 1 . 2 ]" 6
493 1 35 THR MG 1 40 LYS QD 6.000 . 6.500 4.423 2.123 6.296 . 0 0 "[ . 1 . 2 ]" 6
494 1 35 THR MG 1 40 LYS QE 6.000 . 6.500 3.433 1.956 4.797 . 0 0 "[ . 1 . 2 ]" 6
495 1 36 ASN QB 1 37 LEU HG 6.000 . 6.500 5.285 4.627 6.019 . 0 0 "[ . 1 . 2 ]" 6
496 1 36 ASN QB 1 37 LEU QD 5.000 . 5.500 3.242 2.532 4.664 . 0 0 "[ . 1 . 2 ]" 6
497 1 37 LEU HA 1 37 LEU QD 4.000 . 4.500 2.185 1.833 2.733 . 0 0 "[ . 1 . 2 ]" 6
498 1 37 LEU HA 2 15 ALA MB 6.000 . 6.500 5.621 5.039 6.232 . 0 0 "[ . 1 . 2 ]" 6
499 1 37 LEU HG 2 16 TYR QD 6.000 . 6.500 6.246 5.611 6.499 . 0 0 "[ . 1 . 2 ]" 6
500 1 37 LEU QB 2 15 ALA MB 4.000 . 4.500 3.178 2.586 3.702 . 0 0 "[ . 1 . 2 ]" 6
501 1 37 LEU QD 1 38 GLY QA 6.000 . 6.500 4.505 3.931 4.932 . 0 0 "[ . 1 . 2 ]" 6
502 1 37 LEU QD 1 39 GLU QB 5.000 . 5.500 4.571 3.795 5.077 . 0 0 "[ . 1 . 2 ]" 6
503 1 37 LEU QD 1 39 GLU QG 6.000 . 6.500 4.964 3.687 6.309 . 0 0 "[ . 1 . 2 ]" 6
504 1 37 LEU QD 2 15 ALA MB 4.000 . 4.500 2.826 1.853 4.020 . 0 0 "[ . 1 . 2 ]" 6
505 1 37 LEU QD 2 16 TYR HA 5.000 . 5.500 3.901 2.854 4.716 . 0 0 "[ . 1 . 2 ]" 6
506 1 37 LEU QD 2 16 TYR QB 6.000 . 6.500 4.955 3.973 5.903 . 0 0 "[ . 1 . 2 ]" 6
507 1 37 LEU QD 2 16 TYR QD 6.000 . 6.500 4.523 3.542 5.314 . 0 0 "[ . 1 . 2 ]" 6
508 1 37 LEU QD 2 16 TYR QE 6.000 . 6.500 5.721 4.740 6.384 . 0 0 "[ . 1 . 2 ]" 6
509 1 37 LEU QD 2 19 TYR QB 6.000 . 6.500 2.970 2.080 3.445 . 0 0 "[ . 1 . 2 ]" 6
510 1 39 GLU HA 1 40 LYS QB 6.000 . 6.500 4.130 3.820 4.347 . 0 0 "[ . 1 . 2 ]" 6
511 1 39 GLU HA 1 40 LYS QD 6.000 . 6.500 5.316 3.852 6.135 . 0 0 "[ . 1 . 2 ]" 6
512 1 39 GLU HA 1 40 LYS QE 6.000 . 6.500 5.330 3.454 6.410 . 0 0 "[ . 1 . 2 ]" 6
513 1 39 GLU HA 1 41 LEU QD 6.000 . 6.500 4.105 3.593 5.142 . 0 0 "[ . 1 . 2 ]" 6
514 1 39 GLU QB 1 40 LYS QG 6.000 . 6.500 5.458 4.797 6.081 . 0 0 "[ . 1 . 2 ]" 6
515 1 39 GLU QB 1 41 LEU QD 5.000 . 5.500 2.389 1.845 3.257 . 0 0 "[ . 1 . 2 ]" 6
516 1 39 GLU QB 2 11 VAL QG 6.000 . 6.500 3.903 2.963 5.442 . 0 0 "[ . 1 . 2 ]" 6
517 1 39 GLU QG 1 40 LYS HA 6.000 . 6.500 5.619 4.716 6.050 . 0 0 "[ . 1 . 2 ]" 6
518 1 39 GLU QG 1 41 LEU QD 6.000 . 6.500 3.509 2.047 4.783 . 0 0 "[ . 1 . 2 ]" 6
519 1 39 GLU QG 2 11 VAL QG 5.000 . 5.500 3.600 2.478 4.904 . 0 0 "[ . 1 . 2 ]" 6
520 1 39 GLU QG 2 15 ALA MB 4.000 . 4.500 3.540 1.867 4.473 . 0 0 "[ . 1 . 2 ]" 6
521 1 40 LYS HA 1 40 LYS QD 4.000 . 4.500 2.662 1.987 3.786 . 0 0 "[ . 1 . 2 ]" 6
522 1 40 LYS HA 1 40 LYS QE 6.000 . 6.500 3.024 1.985 3.675 . 0 0 "[ . 1 . 2 ]" 6
523 1 40 LYS HA 1 41 LEU HA 6.000 . 6.500 4.406 4.386 4.451 . 0 0 "[ . 1 . 2 ]" 6
524 1 40 LYS HA 1 41 LEU QD 6.000 . 6.500 3.356 2.577 4.442 . 0 0 "[ . 1 . 2 ]" 6
525 1 40 LYS QB 1 41 LEU HA 6.000 . 6.500 4.081 3.925 4.233 . 0 0 "[ . 1 . 2 ]" 6
526 1 41 LEU HA 1 41 LEU QD 4.000 . 4.500 2.731 1.867 3.348 . 0 0 "[ . 1 . 2 ]" 6
527 1 41 LEU HA 1 42 THR HA 5.000 . 5.500 4.346 4.317 4.380 . 0 0 "[ . 1 . 2 ]" 6
528 1 41 LEU HA 1 42 THR MG 5.000 . 5.500 4.643 3.663 5.367 . 0 0 "[ . 1 . 2 ]" 6
529 1 41 LEU HA 1 45 GLU HA 6.000 . 6.500 6.419 6.234 6.503 0.003 14 0 "[ . 1 . 2 ]" 6
530 1 41 LEU HA 1 45 GLU QB 6.000 . 6.500 3.433 3.276 3.563 . 0 0 "[ . 1 . 2 ]" 6
531 1 41 LEU HA 1 45 GLU QG 6.000 . 6.500 4.407 3.783 5.051 . 0 0 "[ . 1 . 2 ]" 6
532 1 41 LEU HA 1 46 VAL QG 5.000 . 5.500 4.389 3.864 5.355 . 0 0 "[ . 1 . 2 ]" 6
533 1 41 LEU HA 1 49 MET ME 6.000 . 6.500 5.829 4.806 6.366 . 0 0 "[ . 1 . 2 ]" 6
534 1 41 LEU QB 1 42 THR HA 6.000 . 6.500 4.451 4.258 4.744 . 0 0 "[ . 1 . 2 ]" 6
535 1 41 LEU QB 1 45 GLU HA 6.000 . 6.500 5.301 4.422 6.235 . 0 0 "[ . 1 . 2 ]" 6
536 1 41 LEU QB 1 45 GLU QB 5.000 . 5.500 2.741 1.850 3.841 . 0 0 "[ . 1 . 2 ]" 6
537 1 41 LEU QB 1 45 GLU QG 6.000 . 6.500 4.472 3.358 5.669 . 0 0 "[ . 1 . 2 ]" 6
538 1 41 LEU QB 1 46 VAL HA 6.000 . 6.500 4.040 3.599 4.620 . 0 0 "[ . 1 . 2 ]" 6
539 1 41 LEU QB 1 46 VAL HB 6.000 . 6.500 4.485 2.647 5.777 . 0 0 "[ . 1 . 2 ]" 6
540 1 41 LEU QB 1 46 VAL QG 4.000 . 4.500 2.364 1.840 3.416 . 0 0 "[ . 1 . 2 ]" 6
541 1 41 LEU HG 1 46 VAL HA 6.000 . 6.500 5.281 3.980 6.502 0.002 9 0 "[ . 1 . 2 ]" 6
542 1 41 LEU QD 1 45 GLU HA 6.000 . 6.500 4.502 4.045 5.179 . 0 0 "[ . 1 . 2 ]" 6
543 1 41 LEU QD 1 45 GLU QB 5.000 . 5.500 2.419 1.908 3.322 . 0 0 "[ . 1 . 2 ]" 6
544 1 41 LEU QD 1 45 GLU QG 5.000 . 5.500 3.906 2.766 4.994 . 0 0 "[ . 1 . 2 ]" 6
545 1 41 LEU QD 1 46 VAL HA 5.000 . 5.500 3.102 2.327 4.370 . 0 0 "[ . 1 . 2 ]" 6
546 1 41 LEU QD 1 46 VAL HB 6.000 . 6.500 4.447 3.079 5.578 . 0 0 "[ . 1 . 2 ]" 6
547 1 41 LEU QD 1 46 VAL QG 5.000 . 5.500 2.478 1.699 3.661 0.001 6 0 "[ . 1 . 2 ]" 6
548 1 41 LEU QD 1 49 MET ME 4.000 . 4.500 2.103 1.705 3.364 . 0 0 "[ . 1 . 2 ]" 6
549 1 42 THR HA 1 42 THR HB 3.000 . 3.500 2.785 2.477 3.005 . 0 0 "[ . 1 . 2 ]" 6
550 1 42 THR HA 1 42 THR MG 3.000 . 3.500 2.220 2.119 2.413 . 0 0 "[ . 1 . 2 ]" 6
551 1 42 THR HA 1 43 ASP HA 6.000 . 6.500 4.301 4.293 4.316 . 0 0 "[ . 1 . 2 ]" 6
552 1 42 THR HA 1 46 VAL QG 6.000 . 6.500 4.284 4.051 4.691 . 0 0 "[ . 1 . 2 ]" 6
553 1 42 THR HB 1 43 ASP HA 6.000 . 6.500 4.754 4.429 4.986 . 0 0 "[ . 1 . 2 ]" 6
554 1 42 THR HB 1 43 ASP QB 6.000 . 6.500 4.443 3.849 5.259 . 0 0 "[ . 1 . 2 ]" 6
555 1 42 THR HB 1 44 ASP HA 6.000 . 6.500 5.303 4.967 5.778 . 0 0 "[ . 1 . 2 ]" 6
556 1 42 THR HB 1 44 ASP QB 6.000 . 6.500 3.910 3.131 4.681 . 0 0 "[ . 1 . 2 ]" 6
557 1 42 THR HB 1 45 GLU QG 6.000 . 6.500 3.906 2.456 4.739 . 0 0 "[ . 1 . 2 ]" 6
558 1 42 THR HB 1 46 VAL QG 6.000 . 6.500 4.908 4.498 5.324 . 0 0 "[ . 1 . 2 ]" 6
559 1 42 THR MG 1 44 ASP QB 6.000 . 6.500 4.198 3.072 5.294 . 0 0 "[ . 1 . 2 ]" 6
560 1 42 THR MG 1 45 GLU QB 6.000 . 6.500 4.044 3.530 4.458 . 0 0 "[ . 1 . 2 ]" 6
561 1 42 THR MG 1 45 GLU QG 5.000 . 5.500 4.183 3.436 5.079 . 0 0 "[ . 1 . 2 ]" 6
562 1 43 ASP HA 1 46 VAL HA 6.000 . 6.500 5.813 5.517 6.126 . 0 0 "[ . 1 . 2 ]" 6
563 1 43 ASP HA 1 46 VAL HB 4.000 . 4.500 3.398 3.094 3.842 . 0 0 "[ . 1 . 2 ]" 6
564 1 43 ASP HA 1 46 VAL QG 4.000 . 4.500 2.824 1.835 3.460 . 0 0 "[ . 1 . 2 ]" 6
565 1 43 ASP QB 1 46 VAL HB 5.000 . 5.500 5.055 4.376 5.531 0.031 8 0 "[ . 1 . 2 ]" 6
566 1 44 ASP HA 1 45 GLU HA 5.000 . 5.500 4.791 4.712 4.825 . 0 0 "[ . 1 . 2 ]" 6
567 1 44 ASP HA 1 47 ASP HA 5.000 . 5.500 5.423 5.071 5.516 0.016 11 0 "[ . 1 . 2 ]" 6
568 1 44 ASP HA 1 47 ASP QB 4.000 . 4.500 2.682 2.418 2.882 . 0 0 "[ . 1 . 2 ]" 6
569 1 44 ASP QB 1 45 GLU QB 6.000 . 6.500 4.585 4.147 5.096 . 0 0 "[ . 1 . 2 ]" 6
570 1 45 GLU HA 1 46 VAL QG 6.000 . 6.500 4.637 4.513 4.765 . 0 0 "[ . 1 . 2 ]" 6
571 1 45 GLU QB 1 46 VAL QG 5.000 . 5.500 3.156 2.837 4.096 . 0 0 "[ . 1 . 2 ]" 6
572 1 45 GLU QB 1 46 VAL HB 5.000 . 5.500 4.763 4.228 4.993 . 0 0 "[ . 1 . 2 ]" 6
573 1 46 VAL HA 1 46 VAL QG 3.000 . 3.500 2.123 2.036 2.294 . 0 0 "[ . 1 . 2 ]" 6
574 1 46 VAL HA 1 47 ASP HA 6.000 . 6.500 4.820 4.775 4.859 . 0 0 "[ . 1 . 2 ]" 6
575 1 46 VAL HA 1 49 MET QB 5.000 . 5.500 2.784 2.325 2.954 . 0 0 "[ . 1 . 2 ]" 6
576 1 46 VAL HA 1 49 MET ME 5.000 . 5.500 3.012 2.046 3.993 . 0 0 "[ . 1 . 2 ]" 6
577 1 46 VAL HA 1 49 MET QG 5.000 . 5.500 4.022 2.441 4.874 . 0 0 "[ . 1 . 2 ]" 6
578 1 46 VAL HA 1 50 ILE MD 6.000 . 6.500 4.422 3.873 4.809 . 0 0 "[ . 1 . 2 ]" 6
579 1 46 VAL HA 1 50 ILE QG 6.000 . 6.500 4.126 3.756 4.388 . 0 0 "[ . 1 . 2 ]" 6
580 1 46 VAL HB 1 47 ASP HA 6.000 . 6.500 4.309 4.062 5.623 . 0 0 "[ . 1 . 2 ]" 6
581 1 46 VAL HB 1 49 MET ME 6.000 . 6.500 5.191 4.543 6.204 . 0 0 "[ . 1 . 2 ]" 6
582 1 46 VAL HB 1 50 ILE MD 6.000 . 6.500 4.519 3.317 5.369 . 0 0 "[ . 1 . 2 ]" 6
583 1 46 VAL QG 1 47 ASP HA 5.000 . 5.500 3.536 3.003 3.734 . 0 0 "[ . 1 . 2 ]" 6
584 1 46 VAL QG 1 47 ASP QB 6.000 . 6.500 4.099 3.019 4.460 . 0 0 "[ . 1 . 2 ]" 6
585 1 46 VAL QG 1 48 GLU QG 6.000 . 6.500 5.833 4.392 6.332 . 0 0 "[ . 1 . 2 ]" 6
586 1 46 VAL QG 1 49 MET QB 6.000 . 6.500 3.249 2.972 3.518 . 0 0 "[ . 1 . 2 ]" 6
587 1 46 VAL QG 1 49 MET QG 6.000 . 6.500 4.487 3.616 4.932 . 0 0 "[ . 1 . 2 ]" 6
588 1 46 VAL QG 1 50 ILE HA 6.000 . 6.500 5.130 4.798 5.514 . 0 0 "[ . 1 . 2 ]" 6
589 1 46 VAL QG 1 50 ILE HB 6.000 . 6.500 4.604 4.201 5.042 . 0 0 "[ . 1 . 2 ]" 6
590 1 46 VAL QG 1 50 ILE MD 4.000 . 4.500 2.368 1.832 3.077 . 0 0 "[ . 1 . 2 ]" 6
591 1 46 VAL QG 1 50 ILE QG 5.000 . 5.500 2.668 2.234 2.985 . 0 0 "[ . 1 . 2 ]" 6
592 1 46 VAL QG 1 50 ILE MG 6.000 . 6.500 4.575 4.330 4.898 . 0 0 "[ . 1 . 2 ]" 6
593 1 47 ASP HA 1 48 GLU HA 5.000 . 5.500 4.756 4.688 4.817 . 0 0 "[ . 1 . 2 ]" 6
594 1 47 ASP HA 1 50 ILE HA 6.000 . 6.500 5.528 5.201 5.967 . 0 0 "[ . 1 . 2 ]" 6
595 1 47 ASP HA 1 50 ILE HB 4.000 . 4.500 3.082 2.858 3.360 . 0 0 "[ . 1 . 2 ]" 6
596 1 47 ASP HA 1 50 ILE MD 5.000 . 5.500 3.506 2.046 4.723 . 0 0 "[ . 1 . 2 ]" 6
597 1 47 ASP HA 1 50 ILE QG 5.000 . 5.500 3.045 2.316 3.972 . 0 0 "[ . 1 . 2 ]" 6
598 1 47 ASP HA 1 50 ILE MG 5.000 . 5.500 4.369 4.146 4.650 . 0 0 "[ . 1 . 2 ]" 6
599 1 47 ASP QB 1 50 ILE HB 5.000 . 5.500 4.894 4.405 5.269 . 0 0 "[ . 1 . 2 ]" 6
600 1 49 MET HA 1 49 MET QG 3.000 . 3.500 2.235 2.052 2.479 . 0 0 "[ . 1 . 2 ]" 6
601 1 49 MET HA 2 8 SER QB 5.000 . 5.500 3.487 2.653 4.370 . 0 0 "[ . 1 . 2 ]" 6
602 1 49 MET HA 2 12 ILE QG 6.000 . 6.500 5.347 4.636 5.990 . 0 0 "[ . 1 . 2 ]" 6
603 1 49 MET HA 2 12 ILE MD 6.000 . 6.500 4.354 3.352 5.741 . 0 0 "[ . 1 . 2 ]" 6
604 1 49 MET QB 1 50 ILE HA 6.000 . 6.500 3.881 3.795 3.958 . 0 0 "[ . 1 . 2 ]" 6
605 1 49 MET QB 1 50 ILE QG 6.000 . 6.500 3.200 2.813 3.477 . 0 0 "[ . 1 . 2 ]" 6
606 1 49 MET QB 2 8 SER QB 5.000 . 5.500 4.228 3.371 4.973 . 0 0 "[ . 1 . 2 ]" 6
607 1 49 MET QB 2 12 ILE MD 5.000 . 5.500 3.243 1.967 4.179 . 0 0 "[ . 1 . 2 ]" 6
608 1 49 MET ME 1 50 ILE HA 6.000 . 6.500 5.913 5.362 6.500 . 14 0 "[ . 1 . 2 ]" 6
609 1 49 MET ME 1 50 ILE MD 6.000 . 6.500 4.687 3.708 5.812 . 0 0 "[ . 1 . 2 ]" 6
610 1 49 MET ME 1 50 ILE QG 6.000 . 6.500 4.744 3.973 5.764 . 0 0 "[ . 1 . 2 ]" 6
611 1 49 MET ME 2 8 SER HA 5.000 . 5.500 4.615 3.836 5.264 . 0 0 "[ . 1 . 2 ]" 6
612 1 49 MET ME 2 8 SER QB 5.000 . 5.500 4.500 3.246 5.265 . 0 0 "[ . 1 . 2 ]" 6
613 1 49 MET ME 2 11 VAL HB 5.000 . 5.500 3.622 2.336 5.464 . 0 0 "[ . 1 . 2 ]" 6
614 1 49 MET ME 2 11 VAL QG 5.000 . 5.500 2.639 1.830 3.239 . 0 0 "[ . 1 . 2 ]" 6
615 1 49 MET ME 2 12 ILE HA 6.000 . 6.500 4.270 3.160 5.302 . 0 0 "[ . 1 . 2 ]" 6
616 1 49 MET ME 2 12 ILE MD 5.000 . 5.500 2.756 1.753 4.428 . 0 0 "[ . 1 . 2 ]" 6
617 1 49 MET ME 2 12 ILE QG 5.000 . 5.500 2.760 1.812 4.306 . 0 0 "[ . 1 . 2 ]" 6
618 1 30 LEU QD 1 49 MET QG 5.000 . 5.500 3.923 3.190 4.575 . 0 0 "[ . 1 . 2 ]" 6
619 1 49 MET QG 1 52 GLU QG 5.000 . 5.500 4.869 3.775 5.483 . 0 0 "[ . 1 . 2 ]" 6
620 1 49 MET QG 1 69 MET ME 6.000 . 6.500 3.857 2.475 5.298 . 0 0 "[ . 1 . 2 ]" 6
621 1 49 MET QG 2 8 SER HA 6.000 . 6.500 3.799 3.005 5.006 . 0 0 "[ . 1 . 2 ]" 6
622 1 49 MET QG 2 8 SER QB 5.000 . 5.500 2.599 1.939 3.434 . 0 0 "[ . 1 . 2 ]" 6
623 1 49 MET QG 2 11 VAL HB 6.000 . 6.500 4.915 3.381 6.183 . 0 0 "[ . 1 . 2 ]" 6
624 1 49 MET QG 2 11 VAL QG 6.000 . 6.500 3.816 2.880 4.736 . 0 0 "[ . 1 . 2 ]" 6
625 1 49 MET QG 2 12 ILE QG 5.000 . 5.500 3.243 2.260 4.842 . 0 0 "[ . 1 . 2 ]" 6
626 1 49 MET QG 2 12 ILE MD 5.000 . 5.500 2.601 1.830 4.148 . 0 0 "[ . 1 . 2 ]" 6
627 1 50 ILE HA 1 53 ALA MB 5.000 . 5.500 2.892 2.491 3.470 . 0 0 "[ . 1 . 2 ]" 6
628 1 50 ILE HA 1 54 ASP HA 6.000 . 6.500 5.673 5.303 5.901 . 0 0 "[ . 1 . 2 ]" 6
629 1 50 ILE HA 1 54 ASP QB 6.000 . 6.500 4.405 3.727 4.673 . 0 0 "[ . 1 . 2 ]" 6
630 1 50 ILE HA 1 60 HIS HA 6.000 . 6.500 6.169 5.446 6.504 0.004 15 0 "[ . 1 . 2 ]" 6
631 1 50 ILE HA 1 61 ILE HA 6.000 . 6.500 5.735 5.162 6.096 . 0 0 "[ . 1 . 2 ]" 6
632 1 50 ILE HA 1 61 ILE MD 4.000 . 4.500 2.568 1.968 3.375 . 0 0 "[ . 1 . 2 ]" 6
633 1 50 ILE HA 1 61 ILE QG 5.000 . 5.500 3.063 2.729 3.397 . 0 0 "[ . 1 . 2 ]" 6
634 1 50 ILE HA 1 61 ILE MG 6.000 . 6.500 4.676 4.334 5.006 . 0 0 "[ . 1 . 2 ]" 6
635 1 50 ILE HB 1 51 ARG HA 5.000 . 5.500 4.129 4.088 4.178 . 0 0 "[ . 1 . 2 ]" 6
636 1 50 ILE HB 1 51 ARG QG 6.000 . 6.500 5.016 3.313 5.854 . 0 0 "[ . 1 . 2 ]" 6
637 1 50 ILE HB 1 54 ASP QB 6.000 . 6.500 4.647 4.334 4.849 . 0 0 "[ . 1 . 2 ]" 6
638 1 50 ILE HB 1 59 GLY QA 6.000 . 6.500 4.607 3.775 4.992 . 0 0 "[ . 1 . 2 ]" 6
639 1 50 ILE HB 1 60 HIS HA 6.000 . 6.500 6.071 5.483 6.501 0.001 15 0 "[ . 1 . 2 ]" 6
640 1 50 ILE MD 1 60 HIS HA 5.000 . 5.500 4.401 3.966 4.901 . 0 0 "[ . 1 . 2 ]" 6
641 1 50 ILE MD 1 61 ILE HA 6.000 . 6.500 5.817 4.948 6.503 0.003 20 0 "[ . 1 . 2 ]" 6
642 1 50 ILE MD 1 61 ILE MG 6.000 . 6.500 4.988 3.942 6.021 . 0 0 "[ . 1 . 2 ]" 6
643 1 50 ILE QG 1 53 ALA MB 6.000 . 6.500 4.859 4.187 5.658 . 0 0 "[ . 1 . 2 ]" 6
644 1 50 ILE QG 1 60 HIS HA 6.000 . 6.500 5.229 4.714 5.968 . 0 0 "[ . 1 . 2 ]" 6
645 1 50 ILE QG 1 61 ILE MD 6.000 . 6.500 3.086 1.999 4.177 . 0 0 "[ . 1 . 2 ]" 6
646 1 50 ILE QG 1 61 ILE MG 6.000 . 6.500 5.635 4.729 6.391 . 0 0 "[ . 1 . 2 ]" 6
647 1 50 ILE QG 1 69 MET ME 6.000 . 6.500 5.018 3.920 6.039 . 0 0 "[ . 1 . 2 ]" 6
648 1 50 ILE MG 1 51 ARG QB 6.000 . 6.500 4.654 4.403 4.912 . 0 0 "[ . 1 . 2 ]" 6
649 1 50 ILE MG 1 51 ARG QD 6.000 . 6.500 4.793 4.164 5.496 . 0 0 "[ . 1 . 2 ]" 6
650 1 50 ILE MG 1 54 ASP HA 6.000 . 6.500 4.325 3.874 4.789 . 0 0 "[ . 1 . 2 ]" 6
651 1 50 ILE MG 1 54 ASP QB 5.000 . 5.500 2.988 2.230 3.461 . 0 0 "[ . 1 . 2 ]" 6
652 1 50 ILE MG 1 59 GLY QA 5.000 . 5.500 2.862 2.133 3.325 . 0 0 "[ . 1 . 2 ]" 6
653 1 50 ILE MG 1 60 HIS HA 5.000 . 5.500 3.191 2.798 3.537 . 0 0 "[ . 1 . 2 ]" 6
654 1 50 ILE MG 1 61 ILE HA 6.000 . 6.500 4.242 3.726 4.731 . 0 0 "[ . 1 . 2 ]" 6
655 1 51 ARG HA 1 54 ASP HA 5.000 . 5.500 5.242 4.806 5.510 0.010 7 0 "[ . 1 . 2 ]" 6
656 1 51 ARG QD 1 59 GLY QA 5.000 . 5.500 4.910 3.983 5.495 . 0 0 "[ . 1 . 2 ]" 6
657 1 52 GLU QB 1 53 ALA HA 5.000 . 5.500 4.014 3.876 4.389 . 0 0 "[ . 1 . 2 ]" 6
658 1 52 GLU QB 1 53 ALA MB 5.000 . 5.500 3.723 3.375 4.215 . 0 0 "[ . 1 . 2 ]" 6
659 1 52 GLU QB 1 72 SER QB 5.000 . 5.500 5.472 5.296 5.506 0.006 20 0 "[ . 1 . 2 ]" 6
660 1 52 GLU QB 2 8 SER QB 6.000 . 6.500 4.261 3.282 5.149 . 0 0 "[ . 1 . 2 ]" 6
661 1 52 GLU QG 1 53 ALA MB 6.000 . 6.500 5.101 2.788 5.485 . 0 0 "[ . 1 . 2 ]" 6
662 1 53 ALA HA 1 55 ILE MD 6.000 . 6.500 4.642 3.430 5.276 . 0 0 "[ . 1 . 2 ]" 6
663 1 53 ALA HA 1 55 ILE QG 6.000 . 6.500 4.028 3.715 4.424 . 0 0 "[ . 1 . 2 ]" 6
664 1 53 ALA HA 1 61 ILE MD 6.000 . 6.500 5.332 4.119 6.028 . 0 0 "[ . 1 . 2 ]" 6
665 1 53 ALA HA 1 61 ILE MG 6.000 . 6.500 4.656 4.143 5.407 . 0 0 "[ . 1 . 2 ]" 6
666 1 53 ALA HA 1 65 GLU QB 5.000 . 5.500 4.050 3.497 4.652 . 0 0 "[ . 1 . 2 ]" 6
667 1 53 ALA HA 1 69 MET HA 6.000 . 6.500 4.509 3.755 5.087 . 0 0 "[ . 1 . 2 ]" 6
668 1 53 ALA HA 1 69 MET QB 5.000 . 5.500 3.383 2.421 4.535 . 0 0 "[ . 1 . 2 ]" 6
669 1 53 ALA HA 1 69 MET ME 6.000 . 6.500 4.301 3.646 5.204 . 0 0 "[ . 1 . 2 ]" 6
670 1 53 ALA HA 1 69 MET QG 5.000 . 5.500 3.967 2.580 5.411 . 0 0 "[ . 1 . 2 ]" 6
671 1 53 ALA MB 1 54 ASP QB 6.000 . 6.500 4.179 3.713 4.585 . 0 0 "[ . 1 . 2 ]" 6
672 1 53 ALA MB 1 61 ILE HA 6.000 . 6.500 4.027 3.169 4.890 . 0 0 "[ . 1 . 2 ]" 6
673 1 53 ALA MB 1 61 ILE HB 6.000 . 6.500 4.618 4.092 5.410 . 0 0 "[ . 1 . 2 ]" 6
674 1 53 ALA MB 1 61 ILE MD 3.000 . 3.500 2.712 1.872 3.299 . 0 0 "[ . 1 . 2 ]" 6
675 1 53 ALA MB 1 61 ILE QG 5.000 . 5.500 2.528 1.878 3.308 . 0 0 "[ . 1 . 2 ]" 6
676 1 53 ALA MB 1 61 ILE MG 5.000 . 5.500 2.506 2.123 3.122 . 0 0 "[ . 1 . 2 ]" 6
677 1 53 ALA MB 1 65 GLU HA 6.000 . 6.500 4.764 4.105 5.548 . 0 0 "[ . 1 . 2 ]" 6
678 1 53 ALA MB 1 65 GLU QG 6.000 . 6.500 4.519 3.426 5.528 . 0 0 "[ . 1 . 2 ]" 6
679 1 53 ALA MB 1 66 PHE HA 6.000 . 6.500 3.888 3.238 4.623 . 0 0 "[ . 1 . 2 ]" 6
680 1 53 ALA MB 1 66 PHE QB 6.000 . 6.500 5.146 4.493 5.902 . 0 0 "[ . 1 . 2 ]" 6
681 1 53 ALA MB 1 66 PHE QD 6.000 . 6.500 4.611 3.558 5.803 . 0 0 "[ . 1 . 2 ]" 6
682 1 53 ALA MB 1 69 MET HA 5.000 . 5.500 4.175 3.280 4.798 . 0 0 "[ . 1 . 2 ]" 6
683 1 53 ALA MB 1 69 MET QB 4.000 . 4.500 2.389 1.927 2.932 . 0 0 "[ . 1 . 2 ]" 6
684 1 53 ALA MB 1 69 MET ME 4.000 . 4.500 2.208 1.727 3.112 . 0 0 "[ . 1 . 2 ]" 6
685 1 53 ALA MB 1 69 MET QG 4.000 . 4.500 2.773 1.872 3.923 . 0 0 "[ . 1 . 2 ]" 6
686 1 53 ALA MB 2 12 ILE MD 6.000 . 6.500 4.454 3.309 5.861 . 0 0 "[ . 1 . 2 ]" 6
687 1 54 ASP HA 1 55 ILE HA 6.000 . 6.500 4.448 4.401 4.587 . 0 0 "[ . 1 . 2 ]" 6
688 1 54 ASP HA 1 55 ILE HB 6.000 . 6.500 4.774 4.734 4.824 . 0 0 "[ . 1 . 2 ]" 6
689 1 54 ASP HA 1 61 ILE HA 6.000 . 6.500 3.933 3.031 4.646 . 0 0 "[ . 1 . 2 ]" 6
690 1 54 ASP HA 1 61 ILE QG 6.000 . 6.500 4.242 3.205 5.250 . 0 0 "[ . 1 . 2 ]" 6
691 1 54 ASP HA 1 61 ILE MG 6.000 . 6.500 4.493 3.050 5.169 . 0 0 "[ . 1 . 2 ]" 6
692 1 54 ASP HA 1 65 GLU QB 6.000 . 6.500 3.553 2.406 4.192 . 0 0 "[ . 1 . 2 ]" 6
693 1 55 ILE HA 1 56 ASP HA 6.000 . 6.500 4.672 4.558 4.796 . 0 0 "[ . 1 . 2 ]" 6
694 1 55 ILE HA 1 65 GLU QG 6.000 . 6.500 4.628 4.152 6.074 . 0 0 "[ . 1 . 2 ]" 6
695 1 55 ILE HB 1 56 ASP HA 6.000 . 6.500 4.272 4.171 4.510 . 0 0 "[ . 1 . 2 ]" 6
696 1 55 ILE HB 1 56 ASP QB 6.000 . 6.500 4.432 3.861 4.786 . 0 0 "[ . 1 . 2 ]" 6
697 1 55 ILE HB 1 62 ASN QB 6.000 . 6.500 6.053 5.610 6.517 0.017 21 0 "[ . 1 . 2 ]" 6
698 1 55 ILE HB 1 65 GLU QG 5.000 . 5.500 2.970 2.393 4.967 . 0 0 "[ . 1 . 2 ]" 6
699 1 55 ILE MD 1 55 ILE MG 3.000 . 3.500 2.273 1.836 2.975 . 0 0 "[ . 1 . 2 ]" 6
700 1 55 ILE MD 1 56 ASP HA 6.000 . 6.500 5.849 5.484 6.024 . 0 0 "[ . 1 . 2 ]" 6
701 1 55 ILE MD 1 64 GLU HA 6.000 . 6.500 5.327 4.701 5.895 . 0 0 "[ . 1 . 2 ]" 6
702 1 55 ILE MD 1 64 GLU QG 6.000 . 6.500 4.586 3.234 5.758 . 0 0 "[ . 1 . 2 ]" 6
703 1 55 ILE MD 1 65 GLU QB 5.000 . 5.500 3.120 1.919 3.815 . 0 0 "[ . 1 . 2 ]" 6
704 1 55 ILE MD 1 65 GLU QG 5.000 . 5.500 2.163 1.814 3.774 . 0 0 "[ . 1 . 2 ]" 6
705 1 55 ILE MD 1 68 ARG QB 5.000 . 5.500 2.647 1.721 3.410 . 0 0 "[ . 1 . 2 ]" 6
706 1 55 ILE MD 1 68 ARG QD 4.000 . 4.500 3.160 2.049 3.913 . 0 0 "[ . 1 . 2 ]" 6
707 1 55 ILE QG 1 65 GLU HA 5.000 . 5.500 3.623 3.141 4.292 . 0 0 "[ . 1 . 2 ]" 6
708 1 55 ILE QG 1 65 GLU QB 6.000 . 6.500 3.403 2.088 4.503 . 0 0 "[ . 1 . 2 ]" 6
709 1 55 ILE QG 1 65 GLU QG 5.000 . 5.500 2.527 1.975 4.002 . 0 0 "[ . 1 . 2 ]" 6
710 1 55 ILE QG 1 68 ARG QB 6.000 . 6.500 3.816 2.815 4.354 . 0 0 "[ . 1 . 2 ]" 6
711 1 55 ILE QG 1 68 ARG QD 5.000 . 5.500 4.808 3.963 5.507 0.007 10 0 "[ . 1 . 2 ]" 6
712 1 55 ILE MG 1 56 ASP HA 5.000 . 5.500 3.825 3.720 4.006 . 0 0 "[ . 1 . 2 ]" 6
713 1 55 ILE MG 1 56 ASP QB 6.000 . 6.500 4.700 3.971 5.022 . 0 0 "[ . 1 . 2 ]" 6
714 1 55 ILE MG 1 65 GLU QG 6.000 . 6.500 4.134 3.713 5.763 . 0 0 "[ . 1 . 2 ]" 6
715 1 56 ASP HA 1 57 GLY QA 6.000 . 6.500 4.272 4.185 4.308 . 0 0 "[ . 1 . 2 ]" 6
716 1 56 ASP QB 1 62 ASN QB 6.000 . 6.500 5.412 3.820 6.265 . 0 0 "[ . 1 . 2 ]" 6
717 1 57 GLY QA 1 58 ASP HA 6.000 . 6.500 4.046 4.014 4.102 . 0 0 "[ . 1 . 2 ]" 6
718 1 59 GLY QA 1 60 HIS HA 6.000 . 6.500 4.005 3.990 4.020 . 0 0 "[ . 1 . 2 ]" 6
719 1 60 HIS HA 1 61 ILE HB 6.000 . 6.500 4.791 4.733 4.910 . 0 0 "[ . 1 . 2 ]" 6
720 1 60 HIS HA 1 61 ILE MD 6.000 . 6.500 4.587 3.812 4.990 . 0 0 "[ . 1 . 2 ]" 6
721 1 60 HIS HA 1 61 ILE QG 6.000 . 6.500 3.317 3.060 3.465 . 0 0 "[ . 1 . 2 ]" 6
722 1 60 HIS HA 1 61 ILE MG 6.000 . 6.500 5.434 5.416 5.451 . 0 0 "[ . 1 . 2 ]" 6
723 1 61 ILE HA 1 62 ASN HA 6.000 . 6.500 4.405 4.380 4.501 . 0 0 "[ . 1 . 2 ]" 6
724 1 61 ILE HA 1 65 GLU HA 6.000 . 6.500 5.891 5.468 6.502 0.002 18 0 "[ . 1 . 2 ]" 6
725 1 61 ILE HA 1 65 GLU QB 5.000 . 5.500 2.980 2.579 4.326 . 0 0 "[ . 1 . 2 ]" 6
726 1 61 ILE HA 1 65 GLU QG 6.000 . 6.500 4.165 2.496 4.562 . 0 0 "[ . 1 . 2 ]" 6
727 1 61 ILE HB 1 65 GLU QB 6.000 . 6.500 4.681 4.255 6.167 . 0 0 "[ . 1 . 2 ]" 6
728 1 61 ILE MD 1 61 ILE MG 3.000 . 3.500 2.092 1.774 2.620 . 0 0 "[ . 1 . 2 ]" 6
729 1 61 ILE MD 1 65 GLU QB 6.000 . 6.500 4.668 3.037 6.167 . 0 0 "[ . 1 . 2 ]" 6
730 1 61 ILE MD 1 65 GLU QG 6.000 . 6.500 6.136 4.454 6.505 0.005 21 0 "[ . 1 . 2 ]" 6
731 1 61 ILE MD 1 66 PHE HA 6.000 . 6.500 4.697 3.918 5.274 . 0 0 "[ . 1 . 2 ]" 6
732 1 61 ILE MD 1 66 PHE QB 6.000 . 6.500 4.911 4.351 5.494 . 0 0 "[ . 1 . 2 ]" 6
733 1 61 ILE MD 1 66 PHE QD 6.000 . 6.500 3.707 3.027 4.974 . 0 0 "[ . 1 . 2 ]" 6
734 1 61 ILE MD 1 69 MET QB 6.000 . 6.500 4.712 4.032 5.323 . 0 0 "[ . 1 . 2 ]" 6
735 1 61 ILE MD 1 69 MET ME 5.000 . 5.500 2.611 1.854 3.880 . 0 0 "[ . 1 . 2 ]" 6
736 1 61 ILE MD 1 69 MET QG 6.000 . 6.500 5.007 4.157 5.855 . 0 0 "[ . 1 . 2 ]" 6
737 1 61 ILE MG 1 62 ASN HA 6.000 . 6.500 4.072 3.841 4.438 . 0 0 "[ . 1 . 2 ]" 6
738 1 61 ILE MG 1 63 TYR HA 6.000 . 6.500 4.668 4.492 4.825 . 0 0 "[ . 1 . 2 ]" 6
739 1 61 ILE MG 1 63 TYR QD 6.000 . 6.500 6.145 5.863 6.491 . 0 0 "[ . 1 . 2 ]" 6
740 1 61 ILE MG 1 65 GLU HA 5.000 . 5.500 4.460 4.070 4.821 . 0 0 "[ . 1 . 2 ]" 6
741 1 61 ILE MG 1 65 GLU QB 4.000 . 4.500 2.307 1.898 3.407 . 0 0 "[ . 1 . 2 ]" 6
742 1 61 ILE MG 1 65 GLU QG 5.000 . 5.500 3.965 1.935 4.505 . 0 0 "[ . 1 . 2 ]" 6
743 1 61 ILE MG 1 66 PHE HA 4.000 . 4.500 2.790 2.174 3.340 . 0 0 "[ . 1 . 2 ]" 6
744 1 61 ILE MG 1 66 PHE QB 4.000 . 4.500 2.594 1.948 3.243 . 0 0 "[ . 1 . 2 ]" 6
745 1 61 ILE MG 1 66 PHE QD 5.000 . 5.500 2.426 1.928 3.368 . 0 0 "[ . 1 . 2 ]" 6
746 1 61 ILE MG 1 69 MET QB 5.000 . 5.500 3.860 3.342 4.288 . 0 0 "[ . 1 . 2 ]" 6
747 1 61 ILE MG 1 69 MET ME 5.000 . 5.500 3.084 2.648 3.861 . 0 0 "[ . 1 . 2 ]" 6
748 1 61 ILE MG 1 69 MET QG 6.000 . 6.500 4.934 4.325 5.763 . 0 0 "[ . 1 . 2 ]" 6
749 1 63 TYR HA 1 63 TYR QE 6.000 . 6.500 4.479 4.247 4.703 . 0 0 "[ . 1 . 2 ]" 6
750 1 63 TYR HA 1 64 GLU HA 6.000 . 6.500 4.761 4.708 4.808 . 0 0 "[ . 1 . 2 ]" 6
751 1 63 TYR HA 1 66 PHE HA 6.000 . 6.500 5.381 4.966 5.654 . 0 0 "[ . 1 . 2 ]" 6
752 1 63 TYR HA 1 66 PHE QB 5.000 . 5.500 2.723 2.252 3.033 . 0 0 "[ . 1 . 2 ]" 6
753 1 63 TYR HA 1 67 VAL QG 6.000 . 6.500 4.000 3.718 4.759 . 0 0 "[ . 1 . 2 ]" 6
754 1 63 TYR QB 1 64 GLU HA 6.000 . 6.500 4.115 3.959 4.216 . 0 0 "[ . 1 . 2 ]" 6
755 1 63 TYR QB 1 66 PHE QB 6.000 . 6.500 4.475 4.027 4.706 . 0 0 "[ . 1 . 2 ]" 6
756 1 63 TYR QB 1 67 VAL QG 6.000 . 6.500 4.323 4.075 4.973 . 0 0 "[ . 1 . 2 ]" 6
757 1 63 TYR QD 1 64 GLU HA 5.000 . 5.500 3.971 3.262 4.530 . 0 0 "[ . 1 . 2 ]" 6
758 1 63 TYR QD 1 64 GLU QB 6.000 . 6.500 4.572 3.572 5.230 . 0 0 "[ . 1 . 2 ]" 6
759 1 63 TYR QD 1 64 GLU QG 5.000 . 5.500 4.311 3.255 5.172 . 0 0 "[ . 1 . 2 ]" 6
760 1 63 TYR QD 1 66 PHE QB 6.000 . 6.500 3.753 3.124 4.634 . 0 0 "[ . 1 . 2 ]" 6
761 1 63 TYR QD 1 66 PHE QD 6.000 . 6.500 4.452 3.765 5.147 . 0 0 "[ . 1 . 2 ]" 6
762 1 63 TYR QD 1 67 VAL QG 5.000 . 5.500 3.553 3.299 4.032 . 0 0 "[ . 1 . 2 ]" 6
763 1 63 TYR QE 1 64 GLU HA 6.000 . 6.500 5.171 4.588 5.800 . 0 0 "[ . 1 . 2 ]" 6
764 1 63 TYR QE 1 64 GLU QG 6.000 . 6.500 5.563 4.786 6.503 0.003 9 0 "[ . 1 . 2 ]" 6
765 1 63 TYR QE 1 66 PHE QB 6.000 . 6.500 4.799 4.210 5.531 . 0 0 "[ . 1 . 2 ]" 6
766 1 63 TYR QE 1 66 PHE QD 5.000 . 5.500 4.716 3.837 5.391 . 0 0 "[ . 1 . 2 ]" 6
767 1 63 TYR QE 1 66 PHE QE 6.000 . 6.500 5.960 4.743 6.497 . 0 0 "[ . 1 . 2 ]" 6
768 1 63 TYR QE 1 67 VAL HA 6.000 . 6.500 6.134 5.560 6.500 0.000 15 0 "[ . 1 . 2 ]" 6
769 1 63 TYR QE 1 67 VAL HB 6.000 . 6.500 5.983 4.271 6.425 . 0 0 "[ . 1 . 2 ]" 6
770 1 63 TYR QE 1 67 VAL QG 4.000 . 4.500 3.412 3.141 3.921 . 0 0 "[ . 1 . 2 ]" 6
771 1 64 GLU HA 1 65 GLU HA 6.000 . 6.500 4.728 4.651 4.813 . 0 0 "[ . 1 . 2 ]" 6
772 1 64 GLU HA 1 67 VAL HA 6.000 . 6.500 5.807 5.441 6.445 . 0 0 "[ . 1 . 2 ]" 6
773 1 64 GLU HA 1 67 VAL HB 5.000 . 5.500 3.749 3.151 5.164 . 0 0 "[ . 1 . 2 ]" 6
774 1 64 GLU HA 1 67 VAL QG 5.000 . 5.500 2.494 1.987 3.238 . 0 0 "[ . 1 . 2 ]" 6
775 1 64 GLU QB 1 65 GLU QG 6.000 . 6.500 3.308 2.932 4.354 . 0 0 "[ . 1 . 2 ]" 6
776 1 64 GLU QB 1 67 VAL QG 6.000 . 6.500 4.167 3.426 4.835 . 0 0 "[ . 1 . 2 ]" 6
777 1 64 GLU QG 1 67 VAL QG 6.000 . 6.500 3.802 3.088 4.676 . 0 0 "[ . 1 . 2 ]" 6
778 1 64 GLU QG 1 68 ARG QD 5.000 . 5.500 4.362 2.778 5.503 0.003 9 0 "[ . 1 . 2 ]" 6
779 1 64 GLU QG 1 68 ARG QG 6.000 . 6.500 5.430 3.549 6.501 0.001 2 0 "[ . 1 . 2 ]" 6
780 1 65 GLU QB 1 66 PHE HA 6.000 . 6.500 3.917 3.808 4.384 . 0 0 "[ . 1 . 2 ]" 6
781 1 65 GLU QB 1 66 PHE QB 6.000 . 6.500 4.030 3.920 4.925 . 0 0 "[ . 1 . 2 ]" 6
782 1 65 GLU QB 1 67 VAL QG 6.000 . 6.500 5.280 4.716 5.790 . 0 0 "[ . 1 . 2 ]" 6
783 1 65 GLU QG 1 68 ARG QB 6.000 . 6.500 4.508 4.117 4.871 . 0 0 "[ . 1 . 2 ]" 6
784 1 66 PHE HA 1 66 PHE QE 6.000 . 6.500 4.427 4.190 4.630 . 0 0 "[ . 1 . 2 ]" 6
785 1 66 PHE HA 1 69 MET QB 5.000 . 5.500 2.916 2.549 3.374 . 0 0 "[ . 1 . 2 ]" 6
786 1 66 PHE HA 1 69 MET ME 5.000 . 5.500 3.855 3.140 4.729 . 0 0 "[ . 1 . 2 ]" 6
787 1 66 PHE HA 1 69 MET QG 5.000 . 5.500 4.854 4.361 5.414 . 0 0 "[ . 1 . 2 ]" 6
788 1 66 PHE HA 1 70 MET ME 6.000 . 6.500 5.581 4.380 6.497 . 0 0 "[ . 1 . 2 ]" 6
789 1 66 PHE QB 1 67 VAL HA 6.000 . 6.500 4.014 3.845 4.121 . 0 0 "[ . 1 . 2 ]" 6
790 1 66 PHE QB 1 67 VAL QG 6.000 . 6.500 3.063 2.835 4.030 . 0 0 "[ . 1 . 2 ]" 6
791 1 66 PHE QB 1 69 MET ME 6.000 . 6.500 5.080 4.530 5.895 . 0 0 "[ . 1 . 2 ]" 6
792 1 66 PHE QD 1 67 VAL HA 6.000 . 6.500 3.996 3.125 4.768 . 0 0 "[ . 1 . 2 ]" 6
793 1 66 PHE QD 1 67 VAL QG 5.000 . 5.500 3.661 2.958 4.644 . 0 0 "[ . 1 . 2 ]" 6
794 1 66 PHE QD 1 69 MET QB 6.000 . 6.500 4.043 3.358 4.606 . 0 0 "[ . 1 . 2 ]" 6
795 1 66 PHE QD 1 69 MET ME 5.000 . 5.500 3.674 2.784 5.092 . 0 0 "[ . 1 . 2 ]" 6
796 1 66 PHE QD 1 69 MET QG 6.000 . 6.500 5.404 4.455 6.193 . 0 0 "[ . 1 . 2 ]" 6
797 1 66 PHE QD 1 70 MET QB 6.000 . 6.500 4.391 3.041 5.171 . 0 0 "[ . 1 . 2 ]" 6
798 1 66 PHE QD 1 70 MET ME 6.000 . 6.500 4.461 3.447 5.468 . 0 0 "[ . 1 . 2 ]" 6
799 1 66 PHE QE 1 67 VAL HA 6.000 . 6.500 5.559 4.761 6.336 . 0 0 "[ . 1 . 2 ]" 6
800 1 66 PHE QE 1 67 VAL QG 6.000 . 6.500 5.233 4.584 5.876 . 0 0 "[ . 1 . 2 ]" 6
801 1 66 PHE QE 1 70 MET HA 6.000 . 6.500 6.053 5.291 6.501 0.001 9 0 "[ . 1 . 2 ]" 6
802 1 66 PHE QE 1 70 MET QB 6.000 . 6.500 4.664 3.714 5.614 . 0 0 "[ . 1 . 2 ]" 6
803 1 66 PHE QE 1 70 MET ME 4.000 . 4.500 3.378 2.286 4.404 . 0 0 "[ . 1 . 2 ]" 6
804 1 66 PHE QE 2 12 ILE MD 6.000 . 6.500 5.244 4.035 6.476 . 0 0 "[ . 1 . 2 ]" 6
805 1 66 PHE QE 2 12 ILE MG 5.000 . 5.500 3.651 2.530 4.551 . 0 0 "[ . 1 . 2 ]" 6
806 1 67 VAL HA 1 68 ARG HA 6.000 . 6.500 4.777 4.686 4.826 . 0 0 "[ . 1 . 2 ]" 6
807 1 67 VAL HA 1 68 ARG QD 5.000 . 5.500 5.183 4.672 5.510 0.010 10 0 "[ . 1 . 2 ]" 6
808 1 67 VAL HA 1 70 MET HA 6.000 . 6.500 5.614 5.211 6.273 . 0 0 "[ . 1 . 2 ]" 6
809 1 67 VAL HA 1 70 MET QB 5.000 . 5.500 2.860 2.333 3.721 . 0 0 "[ . 1 . 2 ]" 6
810 1 67 VAL HA 1 71 VAL QG 6.000 . 6.500 3.678 2.892 4.434 . 0 0 "[ . 1 . 2 ]" 6
811 1 67 VAL QG 1 68 ARG HA 5.000 . 5.500 3.574 2.978 3.770 . 0 0 "[ . 1 . 2 ]" 6
812 1 67 VAL QG 1 68 ARG QD 6.000 . 6.500 3.196 2.255 3.674 . 0 0 "[ . 1 . 2 ]" 6
813 1 67 VAL QG 1 70 MET QB 6.000 . 6.500 3.649 3.197 4.322 . 0 0 "[ . 1 . 2 ]" 6
814 1 67 VAL QG 1 71 VAL HA 6.000 . 6.500 5.649 4.883 6.492 . 0 0 "[ . 1 . 2 ]" 6
815 1 67 VAL QG 1 71 VAL HB 6.000 . 6.500 4.608 2.770 6.038 . 0 0 "[ . 1 . 2 ]" 6
816 1 67 VAL QG 1 71 VAL QG 4.000 . 4.500 2.608 1.859 3.405 . 0 0 "[ . 1 . 2 ]" 6
817 1 68 ARG HA 1 70 MET QB 6.000 . 6.500 5.167 4.786 5.754 . 0 0 "[ . 1 . 2 ]" 6
818 1 68 ARG HA 1 71 VAL HB 6.000 . 6.500 4.432 2.842 5.590 . 0 0 "[ . 1 . 2 ]" 6
819 1 68 ARG HA 1 71 VAL QG 4.000 . 4.500 2.901 1.916 4.190 . 0 0 "[ . 1 . 2 ]" 6
820 1 68 ARG QB 1 68 ARG QD 3.000 . 3.500 2.273 1.971 2.579 . 0 0 "[ . 1 . 2 ]" 6
821 1 68 ARG QD 1 71 VAL QG 6.000 . 6.500 4.099 2.915 5.532 . 0 0 "[ . 1 . 2 ]" 6
822 1 68 ARG QG 1 72 SER QB 6.000 . 6.500 5.398 4.651 6.220 . 0 0 "[ . 1 . 2 ]" 6
823 1 69 MET HA 1 69 MET ME 5.000 . 5.500 4.532 4.194 4.786 . 0 0 "[ . 1 . 2 ]" 6
824 1 69 MET HA 1 70 MET ME 6.000 . 6.500 6.078 5.408 6.438 . 0 0 "[ . 1 . 2 ]" 6
825 1 69 MET HA 1 71 VAL QG 6.000 . 6.500 5.147 4.088 6.056 . 0 0 "[ . 1 . 2 ]" 6
826 1 69 MET HA 1 72 SER QB 5.000 . 5.500 2.337 1.979 3.274 . 0 0 "[ . 1 . 2 ]" 6
827 1 69 MET HA 1 73 LYS QE 6.000 . 6.500 6.166 4.733 6.504 0.004 5 0 "[ . 1 . 2 ]" 6
828 1 69 MET HA 2 9 ALA MB 6.000 . 6.500 5.388 4.436 6.026 . 0 0 "[ . 1 . 2 ]" 6
829 1 69 MET QB 1 69 MET ME 4.000 . 4.500 2.612 2.041 3.111 . 0 0 "[ . 1 . 2 ]" 6
830 1 69 MET QB 1 70 MET HA 6.000 . 6.500 4.045 3.775 4.199 . 0 0 "[ . 1 . 2 ]" 6
831 1 69 MET QB 2 12 ILE MG 5.000 . 5.500 4.109 3.309 4.683 . 0 0 "[ . 1 . 2 ]" 6
832 1 69 MET ME 1 70 MET HA 6.000 . 6.500 5.585 4.481 6.376 . 0 0 "[ . 1 . 2 ]" 6
833 1 69 MET ME 2 8 SER QB 6.000 . 6.500 5.335 4.785 6.051 . 0 0 "[ . 1 . 2 ]" 6
834 1 69 MET ME 2 9 ALA HA 5.000 . 5.500 5.235 4.771 5.502 0.002 12 0 "[ . 1 . 2 ]" 6
835 1 69 MET ME 2 12 ILE MD 4.000 . 4.500 2.343 1.927 3.390 . 0 0 "[ . 1 . 2 ]" 6
836 1 69 MET ME 2 12 ILE MG 6.000 . 6.500 2.701 1.856 3.427 . 0 0 "[ . 1 . 2 ]" 6
837 1 69 MET QG 1 70 MET HA 5.000 . 5.500 4.068 3.582 4.965 . 0 0 "[ . 1 . 2 ]" 6
838 1 69 MET QG 1 70 MET ME 6.000 . 6.500 4.415 3.496 5.324 . 0 0 "[ . 1 . 2 ]" 6
839 1 69 MET QG 1 72 SER QB 5.000 . 5.500 3.696 3.211 4.802 . 0 0 "[ . 1 . 2 ]" 6
840 1 69 MET QG 2 8 SER QB 6.000 . 6.500 5.456 4.708 5.930 . 0 0 "[ . 1 . 2 ]" 6
841 1 69 MET QG 2 9 ALA HA 4.000 . 4.500 4.164 3.710 4.501 0.001 6 0 "[ . 1 . 2 ]" 6
842 1 69 MET QG 2 9 ALA MB 5.000 . 5.500 4.262 3.556 4.875 . 0 0 "[ . 1 . 2 ]" 6
843 1 69 MET QG 2 12 ILE MD 5.000 . 5.500 3.247 2.039 5.060 . 0 0 "[ . 1 . 2 ]" 6
844 1 69 MET QG 2 12 ILE QG 6.000 . 6.500 4.086 3.005 5.410 . 0 0 "[ . 1 . 2 ]" 6
845 1 69 MET QG 2 12 ILE MG 5.000 . 5.500 3.513 2.380 4.531 . 0 0 "[ . 1 . 2 ]" 6
846 1 70 MET HA 1 70 MET ME 5.000 . 5.500 2.867 1.985 3.716 . 0 0 "[ . 1 . 2 ]" 6
847 1 70 MET HA 1 71 VAL QG 6.000 . 6.500 4.325 4.217 4.512 . 0 0 "[ . 1 . 2 ]" 6
848 1 70 MET HA 2 13 GLN HA 5.000 . 5.500 5.373 5.074 5.506 0.006 4 0 "[ . 1 . 2 ]" 6
849 1 70 MET HA 2 13 GLN QB 6.000 . 6.500 5.699 4.756 6.402 . 0 0 "[ . 1 . 2 ]" 6
850 1 70 MET HA 2 13 GLN QG 5.000 . 5.500 4.205 3.282 5.500 0.000 17 0 "[ . 1 . 2 ]" 6
851 1 70 MET QB 1 71 VAL HA 6.000 . 6.500 3.996 3.805 4.296 . 0 0 "[ . 1 . 2 ]" 6
852 1 70 MET QB 1 71 VAL QG 5.000 . 5.500 2.649 2.424 2.972 . 0 0 "[ . 1 . 2 ]" 6
853 1 70 MET ME 2 12 ILE MD 6.000 . 6.500 4.455 3.878 5.120 . 0 0 "[ . 1 . 2 ]" 6
854 1 70 MET ME 2 12 ILE QG 6.000 . 6.500 4.697 4.126 5.414 . 0 0 "[ . 1 . 2 ]" 6
855 1 70 MET ME 2 12 ILE MG 5.000 . 5.500 2.199 1.831 2.844 . 0 0 "[ . 1 . 2 ]" 6
856 1 70 MET ME 2 13 GLN HA 5.000 . 5.500 3.102 2.092 5.113 . 0 0 "[ . 1 . 2 ]" 6
857 1 70 MET ME 2 13 GLN QB 6.000 . 6.500 4.494 3.014 6.418 . 0 0 "[ . 1 . 2 ]" 6
858 1 70 MET ME 2 13 GLN QG 5.000 . 5.500 3.417 2.170 5.204 . 0 0 "[ . 1 . 2 ]" 6
859 1 70 MET ME 2 16 TYR QE 5.000 . 5.500 4.537 3.424 5.277 . 0 0 "[ . 1 . 2 ]" 6
860 1 71 VAL HB 1 72 SER HA 6.000 . 6.500 4.697 4.137 4.960 . 0 0 "[ . 1 . 2 ]" 6
861 1 71 VAL QG 1 72 SER HA 5.000 . 5.500 3.796 3.141 4.347 . 0 0 "[ . 1 . 2 ]" 6
862 1 71 VAL QG 1 73 LYS HA 6.000 . 6.500 5.942 4.855 6.500 . 7 0 "[ . 1 . 2 ]" 6
863 1 71 VAL QG 1 73 LYS QE 6.000 . 6.500 5.399 3.118 6.506 0.006 15 0 "[ . 1 . 2 ]" 6
864 1 72 SER HA 1 73 LYS QB 6.000 . 6.500 4.542 3.957 5.375 . 0 0 "[ . 1 . 2 ]" 6
865 1 72 SER HA 1 73 LYS QG 6.000 . 6.500 4.543 3.313 5.640 . 0 0 "[ . 1 . 2 ]" 6
866 1 71 VAL QG 1 72 SER QB 6.000 . 6.500 4.356 3.326 5.044 . 0 0 "[ . 1 . 2 ]" 6
867 1 72 SER QB 1 73 LYS HA 6.000 . 6.500 4.548 4.013 5.393 . 0 0 "[ . 1 . 2 ]" 6
868 1 72 SER QB 1 73 LYS QB 6.000 . 6.500 4.279 3.180 5.305 . 0 0 "[ . 1 . 2 ]" 6
869 1 72 SER QB 1 73 LYS QG 6.000 . 6.500 4.321 2.415 5.658 . 0 0 "[ . 1 . 2 ]" 6
870 1 72 SER QB 2 9 ALA MB 5.000 . 5.500 4.036 3.283 4.930 . 0 0 "[ . 1 . 2 ]" 6
871 1 73 LYS HA 1 73 LYS QE 6.000 . 6.500 3.717 2.039 5.231 . 0 0 "[ . 1 . 2 ]" 6
872 1 71 VAL QG 1 73 LYS QB 6.000 . 6.500 5.692 4.778 6.503 0.003 16 0 "[ . 1 . 2 ]" 6
stop_
save_
save_distance_constraint_statistics_7
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 7
_Distance_constraint_stats_list.Constraint_count 62
_Distance_constraint_stats_list.Viol_count 19
_Distance_constraint_stats_list.Viol_total 0.934
_Distance_constraint_stats_list.Viol_max 0.017
_Distance_constraint_stats_list.Viol_rms 0.0005
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0000
_Distance_constraint_stats_list.Viol_average_violations_only 0.0023
_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 9 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 10 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 11 ILE 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 12 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 13 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 14 PHE 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 15 LYS 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 16 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 17 PHE 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 18 ASP 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 26 SER 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 27 ALA 0.001 0.001 16 0 "[ . 1 . 2 ]"
1 28 ALA 0.017 0.017 7 0 "[ . 1 . 2 ]"
1 29 GLU 0.004 0.004 7 0 "[ . 1 . 2 ]"
1 30 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 31 ARG 0.001 0.001 16 0 "[ . 1 . 2 ]"
1 32 HIS 0.022 0.017 7 0 "[ . 1 . 2 ]"
1 33 VAL 0.004 0.004 7 0 "[ . 1 . 2 ]"
1 34 MET 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 35 THR 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 36 ASN 0.004 0.002 5 0 "[ . 1 . 2 ]"
1 37 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 38 GLY 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 42 THR 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 43 ASP 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 44 ASP 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 45 GLU 0.002 0.002 10 0 "[ . 1 . 2 ]"
1 46 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 47 ASP 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 48 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 49 MET 0.002 0.002 10 0 "[ . 1 . 2 ]"
1 50 ILE 0.005 0.002 19 0 "[ . 1 . 2 ]"
1 51 ARG 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 52 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 53 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 54 ASP 0.005 0.002 19 0 "[ . 1 . 2 ]"
1 62 ASN 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 63 TYR 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 64 GLU 0.005 0.004 10 0 "[ . 1 . 2 ]"
1 65 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 66 PHE 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 67 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 68 ARG 0.010 0.004 10 0 "[ . 1 . 2 ]"
1 69 MET 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 70 MET 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 71 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 72 SER 0.006 0.002 6 0 "[ . 1 . 2 ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 9 GLU O 1 13 ALA H 2.000 . 2.900 2.500 1.984 2.855 . 0 0 "[ . 1 . 2 ]" 7
2 1 10 LEU O 1 14 PHE H 2.000 . 2.900 2.213 1.737 2.705 . 0 0 "[ . 1 . 2 ]" 7
3 1 11 ILE O 1 15 LYS H 2.000 . 2.900 2.627 2.272 2.890 . 0 0 "[ . 1 . 2 ]" 7
4 1 12 GLU O 1 16 VAL H 2.000 . 2.900 2.486 2.088 2.837 . 0 0 "[ . 1 . 2 ]" 7
5 1 13 ALA O 1 17 PHE H 2.000 . 2.900 2.028 1.732 2.350 . 0 0 "[ . 1 . 2 ]" 7
6 1 14 PHE O 1 18 ASP H 2.000 . 2.900 2.186 1.655 2.801 . 0 0 "[ . 1 . 2 ]" 7
7 1 26 SER O 1 30 LEU H 2.000 . 2.900 2.279 1.945 2.702 . 0 0 "[ . 1 . 2 ]" 7
8 1 27 ALA O 1 31 ARG H 2.000 . 2.900 2.341 1.977 2.901 0.001 16 0 "[ . 1 . 2 ]" 7
9 1 28 ALA O 1 32 HIS H 2.000 . 2.900 2.396 1.906 2.917 0.017 7 0 "[ . 1 . 2 ]" 7
10 1 29 GLU O 1 33 VAL H 2.000 . 2.900 2.378 1.989 2.904 0.004 7 0 "[ . 1 . 2 ]" 7
11 1 30 LEU O 1 34 MET H 2.000 . 2.900 2.123 1.734 2.809 . 0 0 "[ . 1 . 2 ]" 7
12 1 31 ARG O 1 35 THR H 2.000 . 2.900 2.246 1.910 2.751 . 0 0 "[ . 1 . 2 ]" 7
13 1 32 HIS O 1 36 ASN H 2.000 . 2.900 2.657 2.088 2.902 0.002 5 0 "[ . 1 . 2 ]" 7
14 1 33 VAL O 1 37 LEU H 2.000 . 2.900 2.046 1.864 2.262 . 0 0 "[ . 1 . 2 ]" 7
15 1 34 MET O 1 38 GLY H 2.000 . 2.900 2.497 2.289 2.746 . 0 0 "[ . 1 . 2 ]" 7
16 1 42 THR O 1 46 VAL H 2.000 . 2.900 2.146 1.898 2.461 . 0 0 "[ . 1 . 2 ]" 7
17 1 43 ASP O 1 47 ASP H 2.000 . 2.900 2.249 1.949 2.884 . 0 0 "[ . 1 . 2 ]" 7
18 1 44 ASP O 1 48 GLU H 2.000 . 2.900 2.293 1.906 2.814 . 0 0 "[ . 1 . 2 ]" 7
19 1 45 GLU O 1 49 MET H 2.000 . 2.900 2.615 2.040 2.902 0.002 10 0 "[ . 1 . 2 ]" 7
20 1 46 VAL O 1 50 ILE H 2.000 . 2.900 2.192 2.001 2.497 . 0 0 "[ . 1 . 2 ]" 7
21 1 47 ASP O 1 51 ARG H 2.000 . 2.900 2.238 1.965 2.630 . 0 0 "[ . 1 . 2 ]" 7
22 1 48 GLU O 1 52 GLU H 2.000 . 2.900 2.495 2.200 2.684 . 0 0 "[ . 1 . 2 ]" 7
23 1 49 MET O 1 53 ALA H 2.000 . 2.900 2.448 2.116 2.828 . 0 0 "[ . 1 . 2 ]" 7
24 1 50 ILE O 1 54 ASP H 2.000 . 2.900 2.041 1.666 2.902 0.002 19 0 "[ . 1 . 2 ]" 7
25 1 62 ASN O 1 66 PHE H 2.000 . 2.900 1.977 1.707 2.210 . 0 0 "[ . 1 . 2 ]" 7
26 1 63 TYR O 1 67 VAL H 2.000 . 2.900 2.439 2.170 2.655 . 0 0 "[ . 1 . 2 ]" 7
27 1 64 GLU O 1 68 ARG H 2.000 . 2.900 2.617 2.127 2.904 0.004 10 0 "[ . 1 . 2 ]" 7
28 1 65 GLU O 1 69 MET H 2.000 . 2.900 2.234 1.990 2.763 . 0 0 "[ . 1 . 2 ]" 7
29 1 66 PHE O 1 70 MET H 2.000 . 2.900 2.313 1.980 2.703 . 0 0 "[ . 1 . 2 ]" 7
30 1 67 VAL O 1 71 VAL H 2.000 . 2.900 2.188 1.829 2.666 . 0 0 "[ . 1 . 2 ]" 7
31 1 68 ARG O 1 72 SER H 2.000 . 3.000 2.748 1.811 3.002 0.002 6 0 "[ . 1 . 2 ]" 7
32 1 14 PHE O 1 18 ASP N 3.000 . 3.900 3.098 2.631 3.776 . 0 0 "[ . 1 . 2 ]" 7
33 1 34 MET O 1 38 GLY N 3.000 . 3.900 3.182 3.011 3.438 . 0 0 "[ . 1 . 2 ]" 7
34 1 64 GLU O 1 68 ARG N 3.000 . 3.900 3.505 3.097 3.817 . 0 0 "[ . 1 . 2 ]" 7
35 1 67 VAL O 1 71 VAL N 3.000 . 3.900 3.087 2.655 3.488 . 0 0 "[ . 1 . 2 ]" 7
36 1 45 GLU O 1 49 MET N 3.000 . 3.900 3.421 2.943 3.721 . 0 0 "[ . 1 . 2 ]" 7
37 1 10 LEU O 1 14 PHE N 3.000 . 3.900 3.058 2.602 3.518 . 0 0 "[ . 1 . 2 ]" 7
38 1 11 ILE O 1 15 LYS N 3.000 . 3.900 3.493 3.123 3.821 . 0 0 "[ . 1 . 2 ]" 7
39 1 12 GLU O 1 16 VAL N 3.000 . 3.900 3.413 3.046 3.767 . 0 0 "[ . 1 . 2 ]" 7
40 1 27 ALA O 1 31 ARG N 3.000 . 3.900 3.237 2.842 3.858 . 0 0 "[ . 1 . 2 ]" 7
41 1 26 SER O 1 30 LEU N 3.000 . 3.900 3.159 2.807 3.501 . 0 0 "[ . 1 . 2 ]" 7
42 1 32 HIS O 1 36 ASN N 3.000 . 3.900 3.538 3.019 3.794 . 0 0 "[ . 1 . 2 ]" 7
43 1 13 ALA O 1 17 PHE N 3.000 . 3.900 2.904 2.650 3.144 . 0 0 "[ . 1 . 2 ]" 7
44 1 63 TYR O 1 67 VAL N 3.000 . 3.900 3.295 3.082 3.509 . 0 0 "[ . 1 . 2 ]" 7
45 1 44 ASP O 1 48 GLU N 3.000 . 3.900 3.135 2.791 3.674 . 0 0 "[ . 1 . 2 ]" 7
46 1 50 ILE O 1 54 ASP N 3.000 . 3.900 2.668 2.573 2.920 . 0 0 "[ . 1 . 2 ]" 7
47 1 62 ASN O 1 66 PHE N 3.000 . 3.900 2.841 2.627 3.042 . 0 0 "[ . 1 . 2 ]" 7
48 1 43 ASP O 1 47 ASP N 3.000 . 3.900 3.168 2.917 3.678 . 0 0 "[ . 1 . 2 ]" 7
49 1 47 ASP O 1 51 ARG N 3.000 . 3.900 3.156 2.926 3.548 . 0 0 "[ . 1 . 2 ]" 7
50 1 49 MET O 1 53 ALA N 3.000 . 3.900 3.253 2.931 3.611 . 0 0 "[ . 1 . 2 ]" 7
51 1 31 ARG O 1 35 THR N 3.000 . 3.900 3.142 2.874 3.605 . 0 0 "[ . 1 . 2 ]" 7
52 1 48 GLU O 1 52 GLU N 3.000 . 3.900 3.370 3.147 3.575 . 0 0 "[ . 1 . 2 ]" 7
53 1 46 VAL O 1 50 ILE N 3.000 . 3.900 3.091 2.947 3.315 . 0 0 "[ . 1 . 2 ]" 7
54 1 65 GLU O 1 69 MET N 3.000 . 3.900 3.138 2.912 3.532 . 0 0 "[ . 1 . 2 ]" 7
55 1 33 VAL O 1 37 LEU N 3.000 . 3.900 2.941 2.767 3.183 . 0 0 "[ . 1 . 2 ]" 7
56 1 30 LEU O 1 34 MET N 3.000 . 3.900 2.995 2.656 3.637 . 0 0 "[ . 1 . 2 ]" 7
57 1 9 GLU O 1 13 ALA N 3.000 . 3.900 3.378 2.952 3.715 . 0 0 "[ . 1 . 2 ]" 7
58 1 42 THR O 1 46 VAL N 3.000 . 3.900 3.051 2.813 3.347 . 0 0 "[ . 1 . 2 ]" 7
59 1 66 PHE O 1 70 MET N 3.000 . 3.900 3.211 2.931 3.530 . 0 0 "[ . 1 . 2 ]" 7
60 1 29 GLU O 1 33 VAL N 3.000 . 3.900 3.252 2.940 3.763 . 0 0 "[ . 1 . 2 ]" 7
61 1 68 ARG O 1 72 SER N 3.000 . 4.000 2.841 2.595 3.005 . 0 0 "[ . 1 . 2 ]" 7
62 1 28 ALA O 1 32 HIS N 3.000 . 3.900 3.206 2.783 3.790 . 0 0 "[ . 1 . 2 ]" 7
stop_
save_
save_distance_constraint_statistics_8
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 8
_Distance_constraint_stats_list.Constraint_count 34
_Distance_constraint_stats_list.Viol_count 14
_Distance_constraint_stats_list.Viol_total 1.479
_Distance_constraint_stats_list.Viol_max 0.011
_Distance_constraint_stats_list.Viol_rms 0.0008
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0001
_Distance_constraint_stats_list.Viol_average_violations_only 0.0050
_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
2 4 GLN 0.020 0.010 17 0 "[ . 1 . 2 ]"
2 5 GLU 0.003 0.002 7 0 "[ . 1 . 2 ]"
2 6 GLU 0.005 0.005 15 0 "[ . 1 . 2 ]"
2 7 VAL 0.011 0.008 8 0 "[ . 1 . 2 ]"
2 8 SER 0.051 0.011 14 0 "[ . 1 . 2 ]"
2 9 ALA 0.003 0.002 7 0 "[ . 1 . 2 ]"
2 10 ILE 0.005 0.005 15 0 "[ . 1 . 2 ]"
2 11 VAL 0.011 0.008 8 0 "[ . 1 . 2 ]"
2 12 ILE 0.031 0.011 14 0 "[ . 1 . 2 ]"
2 13 GLN 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 14 ARG 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 15 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 16 TYR 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 17 ARG 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 18 ARG 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 19 TYR 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 20 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 21 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 22 LYS 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 23 GLN 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 24 LYS 0.000 0.000 . 0 "[ . 1 . 2 ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 2 4 GLN O 2 8 SER H 2.000 . 3.000 2.605 1.839 3.010 0.010 17 0 "[ . 1 . 2 ]" 8
2 2 5 GLU O 2 9 ALA H 2.000 . 2.900 2.503 1.857 2.902 0.002 7 0 "[ . 1 . 2 ]" 8
3 2 6 GLU O 2 10 ILE H 2.000 . 2.900 2.311 1.917 2.905 0.005 15 0 "[ . 1 . 2 ]" 8
4 2 7 VAL O 2 11 VAL H 2.000 . 2.900 2.539 2.175 2.908 0.008 8 0 "[ . 1 . 2 ]" 8
5 2 8 SER O 2 12 ILE H 2.000 . 2.900 2.752 2.464 2.911 0.011 14 0 "[ . 1 . 2 ]" 8
6 2 9 ALA O 2 13 GLN H 2.000 . 2.900 2.263 1.932 2.754 . 0 0 "[ . 1 . 2 ]" 8
7 2 10 ILE O 2 14 ARG H 2.000 . 2.900 1.925 1.686 2.600 . 0 0 "[ . 1 . 2 ]" 8
8 2 11 VAL O 2 15 ALA H 2.000 . 2.900 2.424 1.946 2.851 . 0 0 "[ . 1 . 2 ]" 8
9 2 12 ILE O 2 16 TYR H 2.000 . 2.900 2.458 2.046 2.768 . 0 0 "[ . 1 . 2 ]" 8
10 2 13 GLN O 2 17 ARG H 2.000 . 2.900 2.256 1.879 2.586 . 0 0 "[ . 1 . 2 ]" 8
11 2 14 ARG O 2 18 ARG H 2.000 . 2.900 2.596 2.245 2.845 . 0 0 "[ . 1 . 2 ]" 8
12 2 15 ALA O 2 19 TYR H 2.000 . 2.900 2.685 2.399 2.888 . 0 0 "[ . 1 . 2 ]" 8
13 2 16 TYR O 2 20 LEU H 2.000 . 2.900 2.251 1.972 2.584 . 0 0 "[ . 1 . 2 ]" 8
14 2 17 ARG O 2 21 LEU H 2.000 . 2.900 2.370 1.877 2.778 . 0 0 "[ . 1 . 2 ]" 8
15 2 18 ARG O 2 22 LYS H 2.000 . 2.900 1.976 1.681 2.653 . 0 0 "[ . 1 . 2 ]" 8
16 2 19 TYR O 2 23 GLN H 2.000 . 2.900 2.350 1.834 2.841 . 0 0 "[ . 1 . 2 ]" 8
17 2 20 LEU O 2 24 LYS H 2.000 . 3.000 2.121 1.668 2.884 . 0 0 "[ . 1 . 2 ]" 8
18 2 7 VAL O 2 11 VAL N 3.000 . 3.900 3.418 3.144 3.855 . 0 0 "[ . 1 . 2 ]" 8
19 2 19 TYR O 2 23 GLN N 3.000 . 3.900 3.218 2.690 3.765 . 0 0 "[ . 1 . 2 ]" 8
20 2 13 GLN O 2 17 ARG N 3.000 . 3.900 3.065 2.682 3.370 . 0 0 "[ . 1 . 2 ]" 8
21 2 4 GLN O 2 8 SER N 3.000 . 4.000 3.430 2.737 3.924 . 0 0 "[ . 1 . 2 ]" 8
22 2 10 ILE O 2 14 ARG N 3.000 . 3.900 2.828 2.619 3.422 . 0 0 "[ . 1 . 2 ]" 8
23 2 15 ALA O 2 19 TYR N 3.000 . 3.900 3.548 3.256 3.714 . 0 0 "[ . 1 . 2 ]" 8
24 2 17 ARG O 2 21 LEU N 3.000 . 3.900 3.253 2.798 3.577 . 0 0 "[ . 1 . 2 ]" 8
25 2 20 LEU O 2 24 LYS N 3.000 . 4.000 2.921 2.581 3.381 . 0 0 "[ . 1 . 2 ]" 8
26 2 12 ILE O 2 16 TYR N 3.000 . 3.900 3.348 2.848 3.637 . 0 0 "[ . 1 . 2 ]" 8
27 2 9 ALA O 2 13 GLN N 3.000 . 3.900 3.139 2.843 3.690 . 0 0 "[ . 1 . 2 ]" 8
28 2 11 VAL O 2 15 ALA N 3.000 . 3.900 3.292 2.768 3.750 . 0 0 "[ . 1 . 2 ]" 8
29 2 5 GLU O 2 9 ALA N 3.000 . 3.900 3.248 2.593 3.727 . 0 0 "[ . 1 . 2 ]" 8
30 2 14 ARG O 2 18 ARG N 3.000 . 3.900 3.447 3.173 3.616 . 0 0 "[ . 1 . 2 ]" 8
31 2 16 TYR O 2 20 LEU N 3.000 . 3.900 3.150 2.894 3.424 . 0 0 "[ . 1 . 2 ]" 8
32 2 6 GLU O 2 10 ILE N 3.000 . 3.900 3.174 2.788 3.704 . 0 0 "[ . 1 . 2 ]" 8
33 2 18 ARG O 2 22 LYS N 3.000 . 3.900 2.842 2.609 3.214 . 0 0 "[ . 1 . 2 ]" 8
34 2 8 SER O 2 12 ILE N 3.000 . 3.900 3.627 3.333 3.799 . 0 0 "[ . 1 . 2 ]" 8
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