NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
472949 |
1rtn   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1rtn
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 2
_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
1 8 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
2 8 THR 0.000 0.000 . 0 "[ . 1 . 2]"
2 9 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
2 10 CYS 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 8 THR MG 1 9 PRO HA 5.500 . 6.000 3.429 3.371 3.637 . 0 0 "[ . 1 . 2]" 1
2 1 8 THR MG 1 10 CYS H 5.500 . 6.000 2.916 2.511 3.212 . 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 24
_Distance_constraint_stats_list.Viol_count 32
_Distance_constraint_stats_list.Viol_total 188.239
_Distance_constraint_stats_list.Viol_max 0.513
_Distance_constraint_stats_list.Viol_rms 0.0822
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0196
_Distance_constraint_stats_list.Viol_average_violations_only 0.2941
_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 7 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 PHE 4.714 0.512 14 2 "[ . 1 +.- 2]"
1 28 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 33 LYS 4.698 0.513 14 2 "[ . 1 +.- 2]"
2 7 THR 0.000 0.000 . 0 "[ . 1 . 2]"
2 8 THR 0.000 0.000 . 0 "[ . 1 . 2]"
2 12 PHE 4.698 0.513 14 2 "[ . 1 +.- 2]"
2 28 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
2 33 LYS 4.714 0.512 14 2 "[ . 1 +.- 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 12 PHE QD 2 33 LYS HB3 4.200 . 4.200 3.674 3.138 4.712 0.512 14 1 "[ . 1 +. 2]" 2
2 1 33 LYS HB3 2 12 PHE QD 4.200 . 4.200 3.673 3.140 4.713 0.513 14 1 "[ . 1 +. 2]" 2
3 1 12 PHE QD 2 33 LYS HB2 4.200 . 4.200 4.361 3.928 4.703 0.503 16 1 "[ . 1 .+ 2]" 2
4 1 33 LYS HB2 2 12 PHE QD 4.200 . 4.200 4.360 3.931 4.704 0.504 16 1 "[ . 1 .+ 2]" 2
5 1 12 PHE QD 2 33 LYS HD3 4.200 . 4.200 3.098 2.465 3.633 . 0 0 "[ . 1 . 2]" 2
6 1 33 LYS HD3 2 12 PHE QD 4.200 . 4.200 3.097 2.466 3.635 . 0 0 "[ . 1 . 2]" 2
7 1 12 PHE QD 2 33 LYS HD2 4.200 . 4.200 2.481 1.874 4.049 . 0 0 "[ . 1 . 2]" 2
8 1 33 LYS HD2 2 12 PHE QD 4.200 . 4.200 2.480 1.873 4.047 . 0 0 "[ . 1 . 2]" 2
9 1 12 PHE QD 2 33 LYS HE2 5.500 . 5.500 4.432 3.272 5.569 0.069 14 0 "[ . 1 . 2]" 2
10 1 33 LYS HE2 2 12 PHE QD 5.500 . 5.500 4.431 3.272 5.571 0.071 14 0 "[ . 1 . 2]" 2
11 1 12 PHE QD 2 33 LYS HE3 5.500 . 5.500 4.294 3.777 4.793 . 0 0 "[ . 1 . 2]" 2
12 1 33 LYS HE3 2 12 PHE QD 5.500 . 5.500 4.293 3.777 4.794 . 0 0 "[ . 1 . 2]" 2
13 1 12 PHE QD 2 33 LYS QG 5.500 . 5.500 4.042 2.696 4.452 . 0 0 "[ . 1 . 2]" 2
14 1 33 LYS QG 2 12 PHE QD 5.500 . 5.500 4.041 2.694 4.440 . 0 0 "[ . 1 . 2]" 2
15 1 12 PHE QE 2 8 THR HA 5.500 . 5.500 4.412 4.401 4.442 . 0 0 "[ . 1 . 2]" 2
16 1 8 THR HA 2 12 PHE QE 5.500 . 5.500 4.412 4.395 4.441 . 0 0 "[ . 1 . 2]" 2
17 1 12 PHE QE 2 8 THR HB 4.200 . 4.200 1.986 1.866 2.194 . 0 0 "[ . 1 . 2]" 2
18 1 8 THR HB 2 12 PHE QE 4.200 . 4.200 1.986 1.870 2.193 . 0 0 "[ . 1 . 2]" 2
19 1 12 PHE QE 2 8 THR MG 4.200 . 4.700 3.101 2.713 3.249 . 0 0 "[ . 1 . 2]" 2
20 1 8 THR MG 2 12 PHE QE 4.200 . 4.700 3.100 2.717 3.249 . 0 0 "[ . 1 . 2]" 2
21 1 12 PHE QE 2 33 LYS HA 5.500 . 5.500 4.637 4.220 4.849 . 0 0 "[ . 1 . 2]" 2
22 1 33 LYS HA 2 12 PHE QE 5.500 . 5.500 4.637 4.220 4.849 . 0 0 "[ . 1 . 2]" 2
23 1 28 PHE QE 2 7 THR MG 4.200 . 4.700 3.195 2.745 4.041 . 0 0 "[ . 1 . 2]" 2
24 1 7 THR MG 2 28 PHE QE 4.200 . 4.700 3.195 2.739 4.042 . 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 484
_Distance_constraint_stats_list.Viol_count 134
_Distance_constraint_stats_list.Viol_total 137.929
_Distance_constraint_stats_list.Viol_max 0.155
_Distance_constraint_stats_list.Viol_rms 0.0071
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0007
_Distance_constraint_stats_list.Viol_average_violations_only 0.0515
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 3 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 TYR 1.405 0.096 1 0 "[ . 1 . 2]"
1 17 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 LEU 0.008 0.006 4 0 "[ . 1 . 2]"
1 20 PRO 0.008 0.006 4 0 "[ . 1 . 2]"
1 21 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 22 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 24 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 TYR 0.158 0.057 12 0 "[ . 1 . 2]"
1 28 PHE 1.314 0.093 19 0 "[ . 1 . 2]"
1 29 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 THR 0.177 0.079 20 0 "[ . 1 . 2]"
1 33 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 34 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 37 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 ALA 1.405 0.096 1 0 "[ . 1 . 2]"
1 39 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 40 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 41 PHE 0.031 0.031 1 0 "[ . 1 . 2]"
1 42 VAL 1.138 0.093 19 0 "[ . 1 . 2]"
1 43 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 44 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 45 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 47 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 48 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 49 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 50 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 51 ALA 0.031 0.031 1 0 "[ . 1 . 2]"
1 52 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 53 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 54 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 55 LYS 0.531 0.154 15 0 "[ . 1 . 2]"
1 56 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 57 TRP 0.000 0.000 . 0 "[ . 1 . 2]"
1 58 VAL 0.531 0.154 15 0 "[ . 1 . 2]"
1 59 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 60 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 61 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 62 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 63 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 64 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 65 LEU 0.158 0.057 12 0 "[ . 1 . 2]"
1 66 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 67 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 68 SER 0.000 0.000 . 0 "[ . 1 . 2]"
2 3 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
2 9 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
2 10 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
2 11 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
2 12 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
2 13 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
2 14 TYR 1.406 0.096 1 0 "[ . 1 . 2]"
2 17 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
2 18 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
2 19 LEU 0.007 0.005 4 0 "[ . 1 . 2]"
2 20 PRO 0.007 0.005 4 0 "[ . 1 . 2]"
2 21 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
2 22 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
2 23 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
2 24 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
2 25 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
2 26 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
2 27 TYR 0.158 0.058 12 0 "[ . 1 . 2]"
2 28 PHE 1.314 0.092 19 0 "[ . 1 . 2]"
2 29 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
2 30 THR 0.177 0.079 20 0 "[ . 1 . 2]"
2 33 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
2 34 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
2 35 SER 0.000 0.000 . 0 "[ . 1 . 2]"
2 36 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
2 37 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
2 38 ALA 1.406 0.096 1 0 "[ . 1 . 2]"
2 39 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
2 40 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
2 41 PHE 0.030 0.030 1 0 "[ . 1 . 2]"
2 42 VAL 1.137 0.092 19 0 "[ . 1 . 2]"
2 43 THR 0.000 0.000 . 0 "[ . 1 . 2]"
2 44 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
2 45 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
2 47 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
2 48 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
2 49 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
2 50 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
2 51 ALA 0.030 0.030 1 0 "[ . 1 . 2]"
2 52 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
2 53 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
2 54 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
2 55 LYS 0.533 0.155 15 0 "[ . 1 . 2]"
2 56 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
2 57 TRP 0.000 0.000 . 0 "[ . 1 . 2]"
2 58 VAL 0.533 0.155 15 0 "[ . 1 . 2]"
2 59 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
2 60 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
2 61 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
2 62 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
2 63 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
2 64 SER 0.000 0.000 . 0 "[ . 1 . 2]"
2 65 LEU 0.158 0.058 12 0 "[ . 1 . 2]"
2 66 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
2 67 MET 0.000 0.000 . 0 "[ . 1 . 2]"
2 68 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 3 TYR H 1 3 TYR QD 4.200 . 4.200 3.216 2.462 3.752 . 0 0 "[ . 1 . 2]" 3
2 2 3 TYR H 2 3 TYR QD 4.200 . 4.200 3.216 2.463 3.753 . 0 0 "[ . 1 . 2]" 3
3 1 10 CYS H 1 12 PHE QE 5.500 . 5.500 4.744 3.866 5.037 . 0 0 "[ . 1 . 2]" 3
4 2 10 CYS H 2 12 PHE QE 5.500 . 5.500 4.744 3.865 5.037 . 0 0 "[ . 1 . 2]" 3
5 1 11 CYS HA 1 12 PHE QD 4.200 . 4.200 3.385 2.974 3.600 . 0 0 "[ . 1 . 2]" 3
6 2 11 CYS HA 2 12 PHE QD 4.200 . 4.200 3.385 2.974 3.600 . 0 0 "[ . 1 . 2]" 3
7 1 12 PHE QD 1 36 ASN QB 5.500 . 6.500 4.580 4.350 4.721 . 0 0 "[ . 1 . 2]" 3
8 2 12 PHE QD 2 36 ASN QB 5.500 . 6.500 4.580 4.350 4.720 . 0 0 "[ . 1 . 2]" 3
9 1 10 CYS HA 1 12 PHE QE 5.500 . 5.500 4.713 4.516 4.856 . 0 0 "[ . 1 . 2]" 3
10 2 10 CYS HA 2 12 PHE QE 5.500 . 5.500 4.712 4.515 4.855 . 0 0 "[ . 1 . 2]" 3
11 1 10 CYS HB3 1 12 PHE QE 5.500 . 5.500 2.780 2.393 3.047 . 0 0 "[ . 1 . 2]" 3
12 2 10 CYS HB3 2 12 PHE QE 5.500 . 5.500 2.780 2.392 3.047 . 0 0 "[ . 1 . 2]" 3
13 1 10 CYS HB2 1 12 PHE QE 5.500 . 5.500 3.312 2.765 3.608 . 0 0 "[ . 1 . 2]" 3
14 2 10 CYS HB2 2 12 PHE QE 5.500 . 5.500 3.312 2.764 3.607 . 0 0 "[ . 1 . 2]" 3
15 1 12 PHE QE 1 34 CYS HA 4.200 . 4.200 3.262 2.330 3.456 . 0 0 "[ . 1 . 2]" 3
16 2 12 PHE QE 2 34 CYS HA 4.200 . 4.200 3.262 2.328 3.455 . 0 0 "[ . 1 . 2]" 3
17 1 12 PHE QE 1 34 CYS HB3 5.500 . 5.500 2.899 1.871 3.080 . 0 0 "[ . 1 . 2]" 3
18 2 12 PHE QE 2 34 CYS HB3 5.500 . 5.500 2.899 1.871 3.080 . 0 0 "[ . 1 . 2]" 3
19 1 12 PHE QE 1 34 CYS HB2 5.500 . 5.500 4.317 3.009 4.517 . 0 0 "[ . 1 . 2]" 3
20 2 12 PHE QE 2 34 CYS HB2 5.500 . 5.500 4.317 3.010 4.516 . 0 0 "[ . 1 . 2]" 3
21 1 12 PHE QE 1 35 SER HA 5.500 . 5.500 4.554 4.426 4.637 . 0 0 "[ . 1 . 2]" 3
22 2 12 PHE QE 2 35 SER HA 5.500 . 5.500 4.554 4.429 4.636 . 0 0 "[ . 1 . 2]" 3
23 1 12 PHE QE 1 35 SER HB3 5.500 . 5.500 3.904 2.489 4.890 . 0 0 "[ . 1 . 2]" 3
24 2 12 PHE QE 2 35 SER HB3 5.500 . 5.500 3.904 2.490 4.890 . 0 0 "[ . 1 . 2]" 3
25 1 12 PHE QE 1 35 SER HB2 5.500 . 5.500 2.902 2.419 3.854 . 0 0 "[ . 1 . 2]" 3
26 2 12 PHE QE 2 35 SER HB2 5.500 . 5.500 2.902 2.418 3.853 . 0 0 "[ . 1 . 2]" 3
27 1 12 PHE H 1 12 PHE QD 4.200 . 4.200 2.580 1.881 3.146 . 0 0 "[ . 1 . 2]" 3
28 2 12 PHE H 2 12 PHE QD 4.200 . 4.200 2.581 1.880 3.145 . 0 0 "[ . 1 . 2]" 3
29 1 13 ALA HA 1 14 TYR QD 5.500 . 5.500 4.307 4.016 4.528 . 0 0 "[ . 1 . 2]" 3
30 2 13 ALA HA 2 14 TYR QD 5.500 . 5.500 4.307 4.018 4.528 . 0 0 "[ . 1 . 2]" 3
31 1 14 TYR HA 1 14 TYR QD 3.300 . 3.300 2.047 1.886 2.295 . 0 0 "[ . 1 . 2]" 3
32 2 14 TYR HA 2 14 TYR QD 3.300 . 3.300 2.047 1.887 2.295 . 0 0 "[ . 1 . 2]" 3
33 1 14 TYR HB2 1 14 TYR QD 2.700 . 2.700 2.320 2.302 2.349 . 0 0 "[ . 1 . 2]" 3
34 2 14 TYR HB2 2 14 TYR QD 2.700 . 2.700 2.320 2.301 2.350 . 0 0 "[ . 1 . 2]" 3
35 1 14 TYR QD 1 38 ALA MB 4.200 . 4.700 3.476 3.410 3.499 . 0 0 "[ . 1 . 2]" 3
36 2 14 TYR QD 2 38 ALA MB 4.200 . 4.700 3.476 3.411 3.498 . 0 0 "[ . 1 . 2]" 3
37 1 14 TYR QD 1 50 CYS HB2 5.500 . 5.500 3.772 3.548 4.040 . 0 0 "[ . 1 . 2]" 3
38 2 14 TYR QD 2 50 CYS HB2 5.500 . 5.500 3.772 3.550 4.039 . 0 0 "[ . 1 . 2]" 3
39 1 14 TYR QD 1 52 ASN HA 4.200 . 4.200 3.735 3.673 3.753 . 0 0 "[ . 1 . 2]" 3
40 2 14 TYR QD 2 52 ASN HA 4.200 . 4.200 3.735 3.673 3.753 . 0 0 "[ . 1 . 2]" 3
41 1 14 TYR QD 1 52 ASN HB3 5.500 . 5.500 4.137 3.793 4.470 . 0 0 "[ . 1 . 2]" 3
42 2 14 TYR QD 2 52 ASN HB3 5.500 . 5.500 4.137 3.793 4.470 . 0 0 "[ . 1 . 2]" 3
43 1 14 TYR QD 1 52 ASN HB2 4.200 . 4.200 2.930 2.787 3.075 . 0 0 "[ . 1 . 2]" 3
44 2 14 TYR QD 2 52 ASN HB2 4.200 . 4.200 2.930 2.787 3.074 . 0 0 "[ . 1 . 2]" 3
45 1 11 CYS HB3 1 14 TYR QE 4.200 . 4.200 3.596 3.275 3.746 . 0 0 "[ . 1 . 2]" 3
46 2 11 CYS HB3 2 14 TYR QE 4.200 . 4.200 3.596 3.274 3.746 . 0 0 "[ . 1 . 2]" 3
47 1 11 CYS HB2 1 14 TYR QE 5.500 . 5.500 4.270 3.752 4.645 . 0 0 "[ . 1 . 2]" 3
48 2 11 CYS HB2 2 14 TYR QE 5.500 . 5.500 4.270 3.753 4.645 . 0 0 "[ . 1 . 2]" 3
49 1 14 TYR QE 1 38 ALA HA 4.200 . 4.200 3.555 2.982 3.748 . 0 0 "[ . 1 . 2]" 3
50 2 14 TYR QE 2 38 ALA HA 4.200 . 4.200 3.555 2.982 3.748 . 0 0 "[ . 1 . 2]" 3
51 1 14 TYR QE 1 38 ALA MB 4.200 . 4.700 1.730 1.704 1.800 0.096 1 0 "[ . 1 . 2]" 3
52 2 14 TYR QE 2 38 ALA MB 4.200 . 4.700 1.730 1.704 1.800 0.096 1 0 "[ . 1 . 2]" 3
53 1 14 TYR QE 1 50 CYS HB2 5.500 . 5.500 4.895 4.834 4.914 . 0 0 "[ . 1 . 2]" 3
54 2 14 TYR QE 2 50 CYS HB2 5.500 . 5.500 4.895 4.834 4.914 . 0 0 "[ . 1 . 2]" 3
55 1 14 TYR QE 1 52 ASN HA 4.200 . 4.200 3.485 3.123 3.734 . 0 0 "[ . 1 . 2]" 3
56 2 14 TYR QE 2 52 ASN HA 4.200 . 4.200 3.485 3.122 3.734 . 0 0 "[ . 1 . 2]" 3
57 1 14 TYR QE 1 52 ASN HB3 5.500 . 5.500 4.802 4.638 4.902 . 0 0 "[ . 1 . 2]" 3
58 2 14 TYR QE 2 52 ASN HB3 5.500 . 5.500 4.802 4.639 4.901 . 0 0 "[ . 1 . 2]" 3
59 1 14 TYR QE 1 52 ASN HB2 4.200 . 4.200 3.661 3.403 3.750 . 0 0 "[ . 1 . 2]" 3
60 2 14 TYR QE 2 52 ASN HB2 4.200 . 4.200 3.661 3.402 3.750 . 0 0 "[ . 1 . 2]" 3
61 1 17 ARG HA 1 17 ARG QD 4.200 . 4.200 3.267 1.986 3.740 . 0 0 "[ . 1 . 2]" 3
62 2 17 ARG HA 2 17 ARG QD 4.200 . 4.200 3.267 1.986 3.741 . 0 0 "[ . 1 . 2]" 3
63 1 17 ARG H 1 17 ARG QD 5.500 . 5.500 3.846 1.881 4.829 . 0 0 "[ . 1 . 2]" 3
64 2 17 ARG H 2 17 ARG QD 5.500 . 5.500 3.845 1.881 4.828 . 0 0 "[ . 1 . 2]" 3
65 1 17 ARG H 1 17 ARG QG 4.200 . 4.200 2.791 1.944 3.709 . 0 0 "[ . 1 . 2]" 3
66 2 17 ARG H 2 17 ARG QG 4.200 . 4.200 2.791 1.945 3.709 . 0 0 "[ . 1 . 2]" 3
67 1 17 ARG QB 1 18 PRO HD2 4.200 . 4.200 2.385 2.139 2.789 . 0 0 "[ . 1 . 2]" 3
68 2 17 ARG QB 2 18 PRO HD2 4.200 . 4.200 2.385 2.138 2.790 . 0 0 "[ . 1 . 2]" 3
69 1 17 ARG QB 1 18 PRO HD3 4.200 . 4.200 3.412 3.236 3.675 . 0 0 "[ . 1 . 2]" 3
70 2 17 ARG QB 2 18 PRO HD3 4.200 . 4.200 3.412 3.235 3.675 . 0 0 "[ . 1 . 2]" 3
71 1 19 LEU QB 1 24 ILE MD 5.500 . 6.000 2.284 1.829 2.889 . 0 0 "[ . 1 . 2]" 3
72 2 19 LEU QB 2 24 ILE MD 5.500 . 6.000 2.284 1.829 2.890 . 0 0 "[ . 1 . 2]" 3
73 1 19 LEU QB 1 20 PRO HD3 4.200 . 4.200 2.837 2.576 2.958 . 0 0 "[ . 1 . 2]" 3
74 2 19 LEU QB 2 20 PRO HD3 4.200 . 4.200 2.838 2.576 2.959 . 0 0 "[ . 1 . 2]" 3
75 1 19 LEU QB 1 20 PRO HD2 4.200 . 4.200 1.837 1.794 1.864 0.006 4 0 "[ . 1 . 2]" 3
76 2 19 LEU QB 2 20 PRO HD2 4.200 . 4.200 1.837 1.795 1.865 0.005 4 0 "[ . 1 . 2]" 3
77 1 21 ARG H 1 61 TYR QE 5.500 . 5.500 3.686 3.059 4.222 . 0 0 "[ . 1 . 2]" 3
78 2 21 ARG H 2 61 TYR QE 5.500 . 5.500 3.686 3.060 4.221 . 0 0 "[ . 1 . 2]" 3
79 1 21 ARG QB 1 22 ALA HA 5.500 . 5.500 4.119 3.858 4.428 . 0 0 "[ . 1 . 2]" 3
80 2 21 ARG QB 2 22 ALA HA 5.500 . 5.500 4.118 3.858 4.428 . 0 0 "[ . 1 . 2]" 3
81 1 21 ARG QB 1 22 ALA H 4.200 . 4.200 3.237 2.737 3.737 . 0 0 "[ . 1 . 2]" 3
82 2 21 ARG QB 2 22 ALA H 4.200 . 4.200 3.237 2.737 3.738 . 0 0 "[ . 1 . 2]" 3
83 1 23 HIS HA 1 44 ARG QD 4.200 . 4.200 3.335 2.301 3.743 . 0 0 "[ . 1 . 2]" 3
84 2 23 HIS HA 2 44 ARG QD 4.200 . 4.200 3.335 2.302 3.744 . 0 0 "[ . 1 . 2]" 3
85 1 23 HIS HA 1 44 ARG QG 4.200 . 4.200 3.323 2.697 3.747 . 0 0 "[ . 1 . 2]" 3
86 2 23 HIS HA 2 44 ARG QG 4.200 . 4.200 3.323 2.697 3.747 . 0 0 "[ . 1 . 2]" 3
87 1 21 ARG QB 1 23 HIS H 5.500 . 5.500 4.669 4.378 4.903 . 0 0 "[ . 1 . 2]" 3
88 2 21 ARG QB 2 23 HIS H 5.500 . 5.500 4.669 4.378 4.903 . 0 0 "[ . 1 . 2]" 3
89 1 25 LYS H 1 25 LYS QD 5.500 . 5.500 4.321 3.760 4.739 . 0 0 "[ . 1 . 2]" 3
90 2 25 LYS H 2 25 LYS QD 5.500 . 5.500 4.321 3.759 4.740 . 0 0 "[ . 1 . 2]" 3
91 1 25 LYS H 1 25 LYS QG 4.200 . 4.200 3.579 1.849 3.813 . 0 0 "[ . 1 . 2]" 3
92 2 25 LYS H 2 25 LYS QG 4.200 . 4.200 3.579 1.849 3.814 . 0 0 "[ . 1 . 2]" 3
93 1 25 LYS H 1 26 GLU QG 5.500 . 5.500 4.827 4.210 4.909 . 0 0 "[ . 1 . 2]" 3
94 2 25 LYS H 2 26 GLU QG 5.500 . 5.500 4.827 4.210 4.909 . 0 0 "[ . 1 . 2]" 3
95 1 25 LYS QG 1 26 GLU HA 5.500 . 5.500 4.766 4.006 4.910 . 0 0 "[ . 1 . 2]" 3
96 2 25 LYS QG 2 26 GLU HA 5.500 . 5.500 4.767 4.005 4.911 . 0 0 "[ . 1 . 2]" 3
97 1 25 LYS QG 1 26 GLU QG 5.500 . 5.500 3.444 1.956 4.147 . 0 0 "[ . 1 . 2]" 3
98 2 25 LYS QG 2 26 GLU QG 5.500 . 5.500 3.443 1.955 4.145 . 0 0 "[ . 1 . 2]" 3
99 1 26 GLU QG 1 42 VAL MG2 5.500 . 6.000 3.203 2.576 3.706 . 0 0 "[ . 1 . 2]" 3
100 2 26 GLU QG 2 42 VAL MG2 5.500 . 6.000 3.204 2.576 3.707 . 0 0 "[ . 1 . 2]" 3
101 1 25 LYS QB 1 26 GLU H 4.200 . 4.200 2.172 1.928 3.384 . 0 0 "[ . 1 . 2]" 3
102 2 25 LYS QB 2 26 GLU H 4.200 . 4.200 2.172 1.927 3.385 . 0 0 "[ . 1 . 2]" 3
103 1 25 LYS QG 1 26 GLU H 4.200 . 4.200 3.514 1.831 3.759 . 0 0 "[ . 1 . 2]" 3
104 2 25 LYS QG 2 26 GLU H 4.200 . 4.200 3.514 1.830 3.760 . 0 0 "[ . 1 . 2]" 3
105 1 26 GLU H 1 26 GLU QG 4.200 . 4.200 2.306 2.201 2.674 . 0 0 "[ . 1 . 2]" 3
106 2 26 GLU H 2 26 GLU QG 4.200 . 4.200 2.306 2.202 2.674 . 0 0 "[ . 1 . 2]" 3
107 1 26 GLU QG 1 27 TYR HA 5.500 . 5.500 3.693 3.292 3.920 . 0 0 "[ . 1 . 2]" 3
108 2 26 GLU QG 2 27 TYR HA 5.500 . 5.500 3.693 3.293 3.919 . 0 0 "[ . 1 . 2]" 3
109 1 24 ILE MG 1 27 TYR QD 5.500 . 6.000 3.780 3.483 4.273 . 0 0 "[ . 1 . 2]" 3
110 2 24 ILE MG 2 27 TYR QD 5.500 . 6.000 3.780 3.482 4.273 . 0 0 "[ . 1 . 2]" 3
111 1 26 GLU HA 1 27 TYR QD 4.200 . 4.200 3.431 3.258 3.682 . 0 0 "[ . 1 . 2]" 3
112 2 26 GLU HA 2 27 TYR QD 4.200 . 4.200 3.431 3.258 3.682 . 0 0 "[ . 1 . 2]" 3
113 1 27 TYR QD 1 28 PHE HA 4.200 . 4.200 3.102 2.870 3.311 . 0 0 "[ . 1 . 2]" 3
114 2 27 TYR QD 2 28 PHE HA 4.200 . 4.200 3.102 2.871 3.312 . 0 0 "[ . 1 . 2]" 3
115 1 27 TYR QD 1 39 VAL MG1 4.200 . 4.700 2.026 1.876 2.132 . 0 0 "[ . 1 . 2]" 3
116 2 27 TYR QD 2 39 VAL MG1 4.200 . 4.700 2.026 1.875 2.133 . 0 0 "[ . 1 . 2]" 3
117 1 27 TYR QD 1 39 VAL MG2 4.200 . 4.700 3.453 3.343 3.492 . 0 0 "[ . 1 . 2]" 3
118 2 27 TYR QD 2 39 VAL MG2 4.200 . 4.700 3.453 3.342 3.493 . 0 0 "[ . 1 . 2]" 3
119 1 27 TYR QD 1 62 ILE HA 5.500 . 5.500 4.070 3.865 4.249 . 0 0 "[ . 1 . 2]" 3
120 2 27 TYR QD 2 62 ILE HA 5.500 . 5.500 4.070 3.865 4.250 . 0 0 "[ . 1 . 2]" 3
121 1 27 TYR QD 1 62 ILE QG 5.500 . 6.500 3.666 2.894 4.515 . 0 0 "[ . 1 . 2]" 3
122 2 27 TYR QD 2 62 ILE QG 5.500 . 6.500 3.666 2.894 4.515 . 0 0 "[ . 1 . 2]" 3
123 1 27 TYR QD 1 65 LEU HB3 4.200 . 4.200 3.679 3.313 3.750 . 0 0 "[ . 1 . 2]" 3
124 2 27 TYR QD 2 65 LEU HB3 4.200 . 4.200 3.679 3.314 3.750 . 0 0 "[ . 1 . 2]" 3
125 1 27 TYR QD 1 65 LEU MD2 4.200 . 4.700 2.575 1.897 3.254 . 0 0 "[ . 1 . 2]" 3
126 2 27 TYR QD 2 65 LEU MD2 4.200 . 4.700 2.575 1.896 3.254 . 0 0 "[ . 1 . 2]" 3
127 1 27 TYR QD 1 65 LEU MD1 4.200 . 4.700 2.775 1.756 3.492 0.044 13 0 "[ . 1 . 2]" 3
128 2 27 TYR QD 2 65 LEU MD1 4.200 . 4.700 2.775 1.756 3.491 0.044 13 0 "[ . 1 . 2]" 3
129 1 27 TYR QE 1 28 PHE HA 4.200 . 4.200 3.665 3.504 3.750 . 0 0 "[ . 1 . 2]" 3
130 2 27 TYR QE 2 28 PHE HA 4.200 . 4.200 3.665 3.504 3.749 . 0 0 "[ . 1 . 2]" 3
131 1 27 TYR QE 1 39 VAL MG1 4.200 . 4.700 3.363 3.075 3.490 . 0 0 "[ . 1 . 2]" 3
132 2 27 TYR QE 2 39 VAL MG1 4.200 . 4.700 3.364 3.075 3.491 . 0 0 "[ . 1 . 2]" 3
133 1 27 TYR QE 1 39 VAL MG2 4.200 . 4.700 3.380 3.085 3.491 . 0 0 "[ . 1 . 2]" 3
134 2 27 TYR QE 2 39 VAL MG2 4.200 . 4.700 3.381 3.085 3.491 . 0 0 "[ . 1 . 2]" 3
135 1 27 TYR QE 1 62 ILE HA 4.200 . 4.200 2.824 2.451 3.300 . 0 0 "[ . 1 . 2]" 3
136 2 27 TYR QE 2 62 ILE HA 4.200 . 4.200 2.824 2.451 3.300 . 0 0 "[ . 1 . 2]" 3
137 1 27 TYR QE 1 62 ILE HG12 5.500 . 5.500 3.221 2.237 4.907 . 0 0 "[ . 1 . 2]" 3
138 2 27 TYR QE 2 62 ILE HG12 5.500 . 5.500 3.222 2.236 4.909 . 0 0 "[ . 1 . 2]" 3
139 1 27 TYR QE 1 62 ILE HG13 5.500 . 5.500 3.568 3.183 3.953 . 0 0 "[ . 1 . 2]" 3
140 2 27 TYR QE 2 62 ILE HG13 5.500 . 5.500 3.568 3.183 3.954 . 0 0 "[ . 1 . 2]" 3
141 1 27 TYR QE 1 65 LEU HB3 4.200 . 4.200 1.888 1.865 2.061 . 0 0 "[ . 1 . 2]" 3
142 2 27 TYR QE 2 65 LEU HB3 4.200 . 4.200 1.888 1.865 2.061 . 0 0 "[ . 1 . 2]" 3
143 1 27 TYR QE 1 65 LEU MD2 4.200 . 4.700 2.642 1.743 3.491 0.057 12 0 "[ . 1 . 2]" 3
144 2 27 TYR QE 2 65 LEU MD2 4.200 . 4.700 2.642 1.742 3.491 0.058 12 0 "[ . 1 . 2]" 3
145 1 27 TYR QE 1 65 LEU MD1 4.200 . 4.700 3.214 2.703 3.489 . 0 0 "[ . 1 . 2]" 3
146 2 27 TYR QE 2 65 LEU MD1 4.200 . 4.700 3.214 2.704 3.489 . 0 0 "[ . 1 . 2]" 3
147 1 27 TYR QE 1 66 GLU QB 5.500 . 6.500 4.810 4.014 5.144 . 0 0 "[ . 1 . 2]" 3
148 2 27 TYR QE 2 66 GLU QB 5.500 . 6.500 4.810 4.014 5.143 . 0 0 "[ . 1 . 2]" 3
149 1 27 TYR QE 1 66 GLU QG 4.200 . 4.200 3.095 2.694 3.325 . 0 0 "[ . 1 . 2]" 3
150 2 27 TYR QE 2 66 GLU QG 4.200 . 4.200 3.095 2.695 3.326 . 0 0 "[ . 1 . 2]" 3
151 1 26 GLU QG 1 27 TYR H 4.200 . 4.200 3.394 2.804 3.743 . 0 0 "[ . 1 . 2]" 3
152 2 26 GLU QG 2 27 TYR H 4.200 . 4.200 3.394 2.804 3.742 . 0 0 "[ . 1 . 2]" 3
153 1 27 TYR H 1 27 TYR QD 4.200 . 4.200 2.392 2.066 2.662 . 0 0 "[ . 1 . 2]" 3
154 2 27 TYR H 2 27 TYR QD 4.200 . 4.200 2.392 2.065 2.661 . 0 0 "[ . 1 . 2]" 3
155 1 26 GLU QG 1 28 PHE QD 4.200 . 4.200 3.320 3.130 3.341 . 0 0 "[ . 1 . 2]" 3
156 2 26 GLU QG 2 28 PHE QD 4.200 . 4.200 3.320 3.131 3.341 . 0 0 "[ . 1 . 2]" 3
157 1 27 TYR HA 1 28 PHE QD 5.500 . 5.500 3.357 2.681 3.574 . 0 0 "[ . 1 . 2]" 3
158 2 27 TYR HA 2 28 PHE QD 5.500 . 5.500 3.357 2.683 3.574 . 0 0 "[ . 1 . 2]" 3
159 1 28 PHE QD 1 29 TYR HA 5.500 . 5.500 3.807 3.573 4.265 . 0 0 "[ . 1 . 2]" 3
160 2 28 PHE QD 2 29 TYR HA 5.500 . 5.500 3.808 3.575 4.265 . 0 0 "[ . 1 . 2]" 3
161 1 28 PHE QD 1 30 THR HA 5.500 . 5.500 4.375 3.763 4.769 . 0 0 "[ . 1 . 2]" 3
162 2 28 PHE QD 2 30 THR HA 5.500 . 5.500 4.375 3.763 4.770 . 0 0 "[ . 1 . 2]" 3
163 1 28 PHE QD 1 30 THR MG 4.200 . 4.700 2.245 2.000 2.603 . 0 0 "[ . 1 . 2]" 3
164 2 28 PHE QD 2 30 THR MG 4.200 . 4.700 2.245 2.001 2.604 . 0 0 "[ . 1 . 2]" 3
165 1 28 PHE QD 1 40 VAL HB 4.200 . 4.200 2.710 2.340 3.149 . 0 0 "[ . 1 . 2]" 3
166 2 28 PHE QD 2 40 VAL HB 4.200 . 4.200 2.711 2.341 3.150 . 0 0 "[ . 1 . 2]" 3
167 1 28 PHE QD 1 40 VAL MG1 4.200 . 4.700 3.488 3.429 3.496 . 0 0 "[ . 1 . 2]" 3
168 2 28 PHE QD 2 40 VAL MG1 4.200 . 4.700 3.488 3.429 3.496 . 0 0 "[ . 1 . 2]" 3
169 1 28 PHE QD 1 40 VAL MG2 4.200 . 4.700 3.356 3.086 3.486 . 0 0 "[ . 1 . 2]" 3
170 2 28 PHE QD 2 40 VAL MG2 4.200 . 4.700 3.356 3.088 3.486 . 0 0 "[ . 1 . 2]" 3
171 1 28 PHE QD 1 42 VAL MG2 4.200 . 4.700 2.948 2.458 3.413 . 0 0 "[ . 1 . 2]" 3
172 2 28 PHE QD 2 42 VAL MG2 4.200 . 4.700 2.948 2.457 3.413 . 0 0 "[ . 1 . 2]" 3
173 1 9 PRO HB2 1 28 PHE QE 4.200 . 4.200 2.489 1.867 3.259 . 0 0 "[ . 1 . 2]" 3
174 2 9 PRO HB2 2 28 PHE QE 4.200 . 4.200 2.489 1.867 3.260 . 0 0 "[ . 1 . 2]" 3
175 1 9 PRO QG 1 28 PHE QE 4.200 . 5.200 3.218 2.355 4.008 . 0 0 "[ . 1 . 2]" 3
176 2 9 PRO QG 2 28 PHE QE 4.200 . 5.200 3.218 2.355 4.008 . 0 0 "[ . 1 . 2]" 3
177 1 28 PHE QE 1 30 THR MG 4.200 . 4.700 2.259 1.721 2.795 0.079 20 0 "[ . 1 . 2]" 3
178 2 28 PHE QE 2 30 THR MG 4.200 . 4.700 2.259 1.721 2.795 0.079 20 0 "[ . 1 . 2]" 3
179 1 28 PHE QE 1 40 VAL HB 4.200 . 4.200 2.476 2.139 2.815 . 0 0 "[ . 1 . 2]" 3
180 2 28 PHE QE 2 40 VAL HB 4.200 . 4.200 2.476 2.139 2.814 . 0 0 "[ . 1 . 2]" 3
181 1 28 PHE QE 1 40 VAL MG1 4.200 . 4.700 2.114 1.838 2.456 . 0 0 "[ . 1 . 2]" 3
182 2 28 PHE QE 2 40 VAL MG1 4.200 . 4.700 2.114 1.838 2.455 . 0 0 "[ . 1 . 2]" 3
183 1 28 PHE QE 1 40 VAL MG2 4.200 . 4.700 2.248 1.907 2.554 . 0 0 "[ . 1 . 2]" 3
184 2 28 PHE QE 2 40 VAL MG2 4.200 . 4.700 2.248 1.908 2.554 . 0 0 "[ . 1 . 2]" 3
185 1 28 PHE QE 1 42 VAL MG2 4.200 . 4.700 1.743 1.707 1.795 0.093 19 0 "[ . 1 . 2]" 3
186 2 28 PHE QE 2 42 VAL MG2 4.200 . 4.700 1.743 1.708 1.795 0.092 19 0 "[ . 1 . 2]" 3
187 1 28 PHE QE 1 48 GLN HE21 5.500 . 5.500 4.575 3.687 5.380 . 0 0 "[ . 1 . 2]" 3
188 2 28 PHE QE 2 48 GLN HE21 5.500 . 5.500 4.575 3.687 5.381 . 0 0 "[ . 1 . 2]" 3
189 1 27 TYR QD 1 28 PHE H 4.200 . 4.200 2.232 2.082 2.420 . 0 0 "[ . 1 . 2]" 3
190 2 27 TYR QD 2 28 PHE H 4.200 . 4.200 2.232 2.084 2.421 . 0 0 "[ . 1 . 2]" 3
191 1 28 PHE H 1 28 PHE QD 4.200 . 4.200 3.404 2.998 3.514 . 0 0 "[ . 1 . 2]" 3
192 2 28 PHE H 2 28 PHE QD 4.200 . 4.200 3.404 2.999 3.514 . 0 0 "[ . 1 . 2]" 3
193 1 27 TYR QD 1 29 TYR QD 5.500 . 5.500 4.281 4.187 4.362 . 0 0 "[ . 1 . 2]" 3
194 2 27 TYR QD 2 29 TYR QD 5.500 . 5.500 4.281 4.187 4.362 . 0 0 "[ . 1 . 2]" 3
195 1 27 TYR QE 1 29 TYR QD 4.200 . 4.200 3.337 3.331 3.341 . 0 0 "[ . 1 . 2]" 3
196 2 27 TYR QE 2 29 TYR QD 4.200 . 4.200 3.337 3.330 3.341 . 0 0 "[ . 1 . 2]" 3
197 1 28 PHE HA 1 29 TYR QD 5.500 . 5.500 3.196 3.025 3.415 . 0 0 "[ . 1 . 2]" 3
198 2 28 PHE HA 2 29 TYR QD 5.500 . 5.500 3.196 3.026 3.415 . 0 0 "[ . 1 . 2]" 3
199 1 29 TYR QD 1 39 VAL HA 4.200 . 4.200 3.367 3.226 3.522 . 0 0 "[ . 1 . 2]" 3
200 2 29 TYR QD 2 39 VAL HA 4.200 . 4.200 3.367 3.225 3.523 . 0 0 "[ . 1 . 2]" 3
201 1 29 TYR QD 1 39 VAL HB 5.500 . 5.500 4.906 4.887 4.918 . 0 0 "[ . 1 . 2]" 3
202 2 29 TYR QD 2 39 VAL HB 5.500 . 5.500 4.906 4.887 4.917 . 0 0 "[ . 1 . 2]" 3
203 1 29 TYR QD 1 39 VAL MG1 5.500 . 6.000 4.126 4.060 4.270 . 0 0 "[ . 1 . 2]" 3
204 2 29 TYR QD 2 39 VAL MG1 5.500 . 6.000 4.126 4.060 4.270 . 0 0 "[ . 1 . 2]" 3
205 1 29 TYR QD 1 39 VAL MG2 4.200 . 4.700 2.263 2.134 2.390 . 0 0 "[ . 1 . 2]" 3
206 2 29 TYR QD 2 39 VAL MG2 4.200 . 4.700 2.263 2.134 2.390 . 0 0 "[ . 1 . 2]" 3
207 1 27 TYR QD 1 29 TYR QE 5.500 . 5.500 4.103 3.964 4.283 . 0 0 "[ . 1 . 2]" 3
208 2 27 TYR QD 2 29 TYR QE 5.500 . 5.500 4.103 3.964 4.284 . 0 0 "[ . 1 . 2]" 3
209 1 29 TYR QE 1 39 VAL MG1 5.500 . 6.000 3.960 3.910 4.034 . 0 0 "[ . 1 . 2]" 3
210 2 29 TYR QE 2 39 VAL MG1 5.500 . 6.000 3.960 3.911 4.033 . 0 0 "[ . 1 . 2]" 3
211 1 29 TYR QE 1 39 VAL MG2 4.200 . 4.700 2.109 1.966 2.179 . 0 0 "[ . 1 . 2]" 3
212 2 29 TYR QE 2 39 VAL MG2 4.200 . 4.700 2.108 1.966 2.178 . 0 0 "[ . 1 . 2]" 3
213 1 29 TYR QE 1 53 PRO QB 5.500 . 5.500 2.833 2.634 3.039 . 0 0 "[ . 1 . 2]" 3
214 2 29 TYR QE 2 53 PRO QB 5.500 . 5.500 2.833 2.633 3.040 . 0 0 "[ . 1 . 2]" 3
215 1 29 TYR QE 1 53 PRO HG2 5.500 . 5.500 4.816 4.604 4.904 . 0 0 "[ . 1 . 2]" 3
216 2 29 TYR QE 2 53 PRO HG2 5.500 . 5.500 4.816 4.606 4.903 . 0 0 "[ . 1 . 2]" 3
217 1 29 TYR QE 1 53 PRO HG3 5.500 . 5.500 3.290 3.079 3.397 . 0 0 "[ . 1 . 2]" 3
218 2 29 TYR QE 2 53 PRO HG3 5.500 . 5.500 3.290 3.080 3.398 . 0 0 "[ . 1 . 2]" 3
219 1 29 TYR QE 1 62 ILE QG 5.500 . 6.500 3.517 3.208 4.206 . 0 0 "[ . 1 . 2]" 3
220 2 29 TYR QE 2 62 ILE QG 5.500 . 6.500 3.517 3.208 4.206 . 0 0 "[ . 1 . 2]" 3
221 1 28 PHE QD 1 29 TYR H 4.200 . 4.200 3.602 3.341 3.754 . 0 0 "[ . 1 . 2]" 3
222 2 28 PHE QD 2 29 TYR H 4.200 . 4.200 3.602 3.340 3.755 . 0 0 "[ . 1 . 2]" 3
223 1 29 TYR H 1 29 TYR QD 4.200 . 4.200 2.107 1.952 2.312 . 0 0 "[ . 1 . 2]" 3
224 2 29 TYR H 2 29 TYR QD 4.200 . 4.200 2.107 1.953 2.313 . 0 0 "[ . 1 . 2]" 3
225 1 29 TYR H 1 29 TYR QE 5.500 . 5.500 4.299 4.176 4.483 . 0 0 "[ . 1 . 2]" 3
226 2 29 TYR H 2 29 TYR QE 5.500 . 5.500 4.299 4.175 4.483 . 0 0 "[ . 1 . 2]" 3
227 1 33 LYS H 1 33 LYS QG 4.200 . 4.200 2.724 2.129 3.748 . 0 0 "[ . 1 . 2]" 3
228 2 33 LYS H 2 33 LYS QG 4.200 . 4.200 2.724 2.130 3.749 . 0 0 "[ . 1 . 2]" 3
229 1 36 ASN HA 1 37 PRO QG 5.500 . 5.500 3.877 3.842 3.925 . 0 0 "[ . 1 . 2]" 3
230 2 36 ASN HA 2 37 PRO QG 5.500 . 5.500 3.877 3.841 3.925 . 0 0 "[ . 1 . 2]" 3
231 1 12 PHE QD 1 36 ASN H 5.500 . 5.500 3.456 2.847 4.003 . 0 0 "[ . 1 . 2]" 3
232 2 12 PHE QD 2 36 ASN H 5.500 . 5.500 3.456 2.848 4.003 . 0 0 "[ . 1 . 2]" 3
233 1 38 ALA HA 1 53 PRO QD 4.200 . 4.200 2.906 2.554 3.378 . 0 0 "[ . 1 . 2]" 3
234 2 38 ALA HA 2 53 PRO QD 4.200 . 4.200 2.906 2.552 3.379 . 0 0 "[ . 1 . 2]" 3
235 1 14 TYR QD 1 39 VAL H 5.500 . 5.500 4.635 4.451 4.834 . 0 0 "[ . 1 . 2]" 3
236 2 14 TYR QD 2 39 VAL H 5.500 . 5.500 4.635 4.452 4.834 . 0 0 "[ . 1 . 2]" 3
237 1 14 TYR QE 1 39 VAL H 5.500 . 5.500 3.579 3.107 3.923 . 0 0 "[ . 1 . 2]" 3
238 2 14 TYR QE 2 39 VAL H 5.500 . 5.500 3.579 3.107 3.923 . 0 0 "[ . 1 . 2]" 3
239 1 39 VAL H 1 53 PRO QD 5.500 . 5.500 3.177 2.780 3.777 . 0 0 "[ . 1 . 2]" 3
240 2 39 VAL H 2 53 PRO QD 5.500 . 5.500 3.177 2.779 3.775 . 0 0 "[ . 1 . 2]" 3
241 1 19 LEU MD1 1 41 PHE QD 4.200 . 4.700 2.946 2.565 3.198 . 0 0 "[ . 1 . 2]" 3
242 2 19 LEU MD1 2 41 PHE QD 4.200 . 4.700 2.946 2.565 3.198 . 0 0 "[ . 1 . 2]" 3
243 1 19 LEU MD2 1 41 PHE QD 4.200 . 4.700 3.159 2.757 3.488 . 0 0 "[ . 1 . 2]" 3
244 2 19 LEU MD2 2 41 PHE QD 4.200 . 4.700 3.160 2.757 3.488 . 0 0 "[ . 1 . 2]" 3
245 1 24 ILE HB 1 41 PHE QD 5.500 . 5.500 4.660 4.390 4.903 . 0 0 "[ . 1 . 2]" 3
246 2 24 ILE HB 2 41 PHE QD 5.500 . 5.500 4.661 4.390 4.903 . 0 0 "[ . 1 . 2]" 3
247 1 24 ILE MD 1 41 PHE QD 4.200 . 4.700 2.621 2.225 3.059 . 0 0 "[ . 1 . 2]" 3
248 2 24 ILE MD 2 41 PHE QD 4.200 . 4.700 2.621 2.225 3.059 . 0 0 "[ . 1 . 2]" 3
249 1 24 ILE QG 1 41 PHE QD 5.500 . 6.500 3.776 3.359 4.094 . 0 0 "[ . 1 . 2]" 3
250 2 24 ILE QG 2 41 PHE QD 5.500 . 6.500 3.776 3.360 4.094 . 0 0 "[ . 1 . 2]" 3
251 1 24 ILE MG 1 41 PHE QD 4.200 . 4.700 2.033 1.814 2.466 . 0 0 "[ . 1 . 2]" 3
252 2 24 ILE MG 2 41 PHE QD 4.200 . 4.700 2.034 1.814 2.466 . 0 0 "[ . 1 . 2]" 3
253 1 27 TYR HA 1 41 PHE QD 5.500 . 5.500 4.333 4.018 4.645 . 0 0 "[ . 1 . 2]" 3
254 2 27 TYR HA 2 41 PHE QD 5.500 . 5.500 4.333 4.018 4.645 . 0 0 "[ . 1 . 2]" 3
255 1 27 TYR HB2 1 41 PHE QD 5.500 . 5.500 3.406 3.199 3.701 . 0 0 "[ . 1 . 2]" 3
256 2 27 TYR HB2 2 41 PHE QD 5.500 . 5.500 3.406 3.200 3.700 . 0 0 "[ . 1 . 2]" 3
257 1 27 TYR QD 1 41 PHE QD 5.500 . 5.500 3.931 3.576 4.369 . 0 0 "[ . 1 . 2]" 3
258 2 27 TYR QD 2 41 PHE QD 5.500 . 5.500 3.931 3.576 4.368 . 0 0 "[ . 1 . 2]" 3
259 1 39 VAL HB 1 41 PHE QD 5.500 . 5.500 4.748 4.610 4.901 . 0 0 "[ . 1 . 2]" 3
260 2 39 VAL HB 2 41 PHE QD 5.500 . 5.500 4.748 4.609 4.901 . 0 0 "[ . 1 . 2]" 3
261 1 39 VAL MG1 1 41 PHE QD 4.200 . 4.700 3.292 3.102 3.425 . 0 0 "[ . 1 . 2]" 3
262 2 39 VAL MG1 2 41 PHE QD 4.200 . 4.700 3.291 3.101 3.425 . 0 0 "[ . 1 . 2]" 3
263 1 41 PHE HA 1 41 PHE QD 3.300 . 3.300 2.608 2.352 2.818 . 0 0 "[ . 1 . 2]" 3
264 2 41 PHE HA 2 41 PHE QD 3.300 . 3.300 2.608 2.353 2.818 . 0 0 "[ . 1 . 2]" 3
265 1 41 PHE HB2 1 41 PHE QD 3.300 . 3.300 2.344 2.309 2.393 . 0 0 "[ . 1 . 2]" 3
266 2 41 PHE HB2 2 41 PHE QD 3.300 . 3.300 2.345 2.308 2.393 . 0 0 "[ . 1 . 2]" 3
267 1 41 PHE QD 1 49 VAL HB 5.500 . 5.500 3.852 3.340 4.149 . 0 0 "[ . 1 . 2]" 3
268 2 41 PHE QD 2 49 VAL HB 5.500 . 5.500 3.852 3.340 4.149 . 0 0 "[ . 1 . 2]" 3
269 1 41 PHE QD 1 49 VAL MG1 4.200 . 4.700 3.462 3.342 3.489 . 0 0 "[ . 1 . 2]" 3
270 2 41 PHE QD 2 49 VAL MG1 4.200 . 4.700 3.462 3.343 3.489 . 0 0 "[ . 1 . 2]" 3
271 1 24 ILE MD 1 41 PHE QE 4.200 . 4.700 3.338 2.957 3.489 . 0 0 "[ . 1 . 2]" 3
272 2 24 ILE MD 2 41 PHE QE 4.200 . 4.700 3.338 2.957 3.488 . 0 0 "[ . 1 . 2]" 3
273 1 24 ILE MG 1 41 PHE QE 5.500 . 6.000 3.262 2.899 3.823 . 0 0 "[ . 1 . 2]" 3
274 2 24 ILE MG 2 41 PHE QE 5.500 . 6.000 3.262 2.899 3.823 . 0 0 "[ . 1 . 2]" 3
275 1 27 TYR HB2 1 41 PHE QE 5.500 . 5.500 4.002 3.529 4.385 . 0 0 "[ . 1 . 2]" 3
276 2 27 TYR HB2 2 41 PHE QE 5.500 . 5.500 4.002 3.529 4.385 . 0 0 "[ . 1 . 2]" 3
277 1 27 TYR QD 1 41 PHE QE 5.500 . 5.500 3.675 3.310 3.979 . 0 0 "[ . 1 . 2]" 3
278 2 27 TYR QD 2 41 PHE QE 5.500 . 5.500 3.675 3.309 3.978 . 0 0 "[ . 1 . 2]" 3
279 1 39 VAL HB 1 41 PHE QE 5.500 . 5.500 3.870 3.647 4.073 . 0 0 "[ . 1 . 2]" 3
280 2 39 VAL HB 2 41 PHE QE 5.500 . 5.500 3.870 3.646 4.074 . 0 0 "[ . 1 . 2]" 3
281 1 39 VAL MG1 1 41 PHE QE 4.200 . 4.700 2.938 2.688 3.062 . 0 0 "[ . 1 . 2]" 3
282 2 39 VAL MG1 2 41 PHE QE 4.200 . 4.700 2.938 2.687 3.061 . 0 0 "[ . 1 . 2]" 3
283 1 39 VAL MG2 1 41 PHE QE 5.500 . 6.000 4.427 4.253 4.453 . 0 0 "[ . 1 . 2]" 3
284 2 39 VAL MG2 2 41 PHE QE 5.500 . 6.000 4.427 4.253 4.453 . 0 0 "[ . 1 . 2]" 3
285 1 41 PHE HA 1 41 PHE QE 5.500 . 5.500 4.374 4.268 4.451 . 0 0 "[ . 1 . 2]" 3
286 2 41 PHE HA 2 41 PHE QE 5.500 . 5.500 4.374 4.269 4.452 . 0 0 "[ . 1 . 2]" 3
287 1 41 PHE QE 1 51 ALA MB 4.200 . 4.700 1.868 1.769 2.002 0.031 1 0 "[ . 1 . 2]" 3
288 2 41 PHE QE 2 51 ALA MB 4.200 . 4.700 1.868 1.770 2.002 0.030 1 0 "[ . 1 . 2]" 3
289 1 41 PHE QE 1 57 TRP HE3 5.500 . 5.500 4.717 4.536 4.898 . 0 0 "[ . 1 . 2]" 3
290 2 41 PHE QE 2 57 TRP HE3 5.500 . 5.500 4.717 4.536 4.898 . 0 0 "[ . 1 . 2]" 3
291 1 41 PHE QE 1 57 TRP HZ3 4.200 . 4.200 3.122 2.769 3.384 . 0 0 "[ . 1 . 2]" 3
292 2 41 PHE QE 2 57 TRP HZ3 4.200 . 4.200 3.122 2.767 3.386 . 0 0 "[ . 1 . 2]" 3
293 1 41 PHE QE 1 58 VAL MG1 4.200 . 4.700 2.296 1.822 2.860 . 0 0 "[ . 1 . 2]" 3
294 2 41 PHE QE 2 58 VAL MG1 4.200 . 4.700 2.296 1.822 2.860 . 0 0 "[ . 1 . 2]" 3
295 1 41 PHE QE 1 58 VAL MG2 4.200 . 4.700 3.076 2.919 3.193 . 0 0 "[ . 1 . 2]" 3
296 2 41 PHE QE 2 58 VAL MG2 4.200 . 4.700 3.076 2.918 3.193 . 0 0 "[ . 1 . 2]" 3
297 1 41 PHE QE 1 61 TYR HA 5.500 . 5.500 4.584 4.463 4.794 . 0 0 "[ . 1 . 2]" 3
298 2 41 PHE QE 2 61 TYR HA 5.500 . 5.500 4.584 4.463 4.795 . 0 0 "[ . 1 . 2]" 3
299 1 41 PHE QE 1 61 TYR HB2 5.500 . 5.500 2.791 2.286 3.162 . 0 0 "[ . 1 . 2]" 3
300 2 41 PHE QE 2 61 TYR HB2 5.500 . 5.500 2.791 2.286 3.162 . 0 0 "[ . 1 . 2]" 3
301 1 41 PHE QE 1 62 ILE MD 4.200 . 4.700 3.064 2.073 3.486 . 0 0 "[ . 1 . 2]" 3
302 2 41 PHE QE 2 62 ILE MD 4.200 . 4.700 3.064 2.072 3.486 . 0 0 "[ . 1 . 2]" 3
303 1 41 PHE QE 1 62 ILE HG12 5.500 . 5.500 4.558 3.862 4.900 . 0 0 "[ . 1 . 2]" 3
304 2 41 PHE QE 2 62 ILE HG12 5.500 . 5.500 4.558 3.862 4.901 . 0 0 "[ . 1 . 2]" 3
305 1 41 PHE QE 1 62 ILE HG13 5.500 . 5.500 3.806 3.265 4.903 . 0 0 "[ . 1 . 2]" 3
306 2 41 PHE QE 2 62 ILE HG13 5.500 . 5.500 3.806 3.265 4.903 . 0 0 "[ . 1 . 2]" 3
307 1 41 PHE QE 1 65 LEU QD 4.200 . 5.700 3.540 3.016 3.768 . 0 0 "[ . 1 . 2]" 3
308 2 41 PHE QE 2 65 LEU QD 4.200 . 5.700 3.540 3.016 3.768 . 0 0 "[ . 1 . 2]" 3
309 1 41 PHE HZ 1 61 TYR QD 4.200 . 4.200 3.497 3.045 3.744 . 0 0 "[ . 1 . 2]" 3
310 2 41 PHE HZ 2 61 TYR QD 4.200 . 4.200 3.497 3.045 3.744 . 0 0 "[ . 1 . 2]" 3
311 1 26 GLU QG 1 42 VAL H 5.500 . 5.500 4.033 3.385 4.453 . 0 0 "[ . 1 . 2]" 3
312 2 26 GLU QG 2 42 VAL H 5.500 . 5.500 4.033 3.384 4.452 . 0 0 "[ . 1 . 2]" 3
313 1 25 LYS QB 1 43 THR HA 5.500 . 5.500 3.201 2.907 3.982 . 0 0 "[ . 1 . 2]" 3
314 2 25 LYS QB 2 43 THR HA 5.500 . 5.500 3.201 2.907 3.982 . 0 0 "[ . 1 . 2]" 3
315 1 43 THR HG1 1 47 ARG QG 5.500 . 5.500 3.705 2.976 4.421 . 0 0 "[ . 1 . 2]" 3
316 2 43 THR HG1 2 47 ARG QG 5.500 . 5.500 3.705 2.977 4.420 . 0 0 "[ . 1 . 2]" 3
317 1 44 ARG HA 1 44 ARG QG 2.700 . 2.700 2.381 2.263 2.412 . 0 0 "[ . 1 . 2]" 3
318 2 44 ARG HA 2 44 ARG QG 2.700 . 2.700 2.381 2.263 2.411 . 0 0 "[ . 1 . 2]" 3
319 1 44 ARG H 1 44 ARG QD 5.500 . 5.500 3.635 1.838 4.121 . 0 0 "[ . 1 . 2]" 3
320 2 44 ARG H 2 44 ARG QD 5.500 . 5.500 3.635 1.837 4.121 . 0 0 "[ . 1 . 2]" 3
321 1 44 ARG H 1 44 ARG QG 4.200 . 4.200 2.284 1.947 3.461 . 0 0 "[ . 1 . 2]" 3
322 2 44 ARG H 2 44 ARG QG 4.200 . 4.200 2.284 1.949 3.461 . 0 0 "[ . 1 . 2]" 3
323 1 45 LYS H 1 45 LYS QD 4.200 . 4.200 3.121 2.146 3.709 . 0 0 "[ . 1 . 2]" 3
324 2 45 LYS H 2 45 LYS QD 4.200 . 4.200 3.121 2.146 3.709 . 0 0 "[ . 1 . 2]" 3
325 1 45 LYS H 1 45 LYS QE 5.500 . 5.500 4.298 2.226 4.868 . 0 0 "[ . 1 . 2]" 3
326 2 45 LYS H 2 45 LYS QE 5.500 . 5.500 4.298 2.227 4.867 . 0 0 "[ . 1 . 2]" 3
327 1 47 ARG QH 1 49 VAL MG2 5.500 . 8.000 3.808 1.827 5.279 . 0 0 "[ . 1 . 2]" 3
328 2 47 ARG QH 2 49 VAL MG2 5.500 . 8.000 3.808 1.827 5.280 . 0 0 "[ . 1 . 2]" 3
329 1 47 ARG H 1 47 ARG QG 4.200 . 4.200 3.333 2.255 3.743 . 0 0 "[ . 1 . 2]" 3
330 2 47 ARG H 2 47 ARG QG 4.200 . 4.200 3.333 2.255 3.744 . 0 0 "[ . 1 . 2]" 3
331 1 41 PHE QE 1 51 ALA H 5.500 . 5.500 4.675 4.389 4.901 . 0 0 "[ . 1 . 2]" 3
332 2 41 PHE QE 2 51 ALA H 5.500 . 5.500 4.675 4.389 4.901 . 0 0 "[ . 1 . 2]" 3
333 1 52 ASN HA 1 53 PRO QD 2.700 . 2.700 1.845 1.827 1.867 . 0 0 "[ . 1 . 2]" 3
334 2 52 ASN HA 2 53 PRO QD 2.700 . 2.700 1.845 1.826 1.868 . 0 0 "[ . 1 . 2]" 3
335 1 52 ASN HB3 1 55 LYS QG 4.200 . 4.200 3.277 2.699 3.749 . 0 0 "[ . 1 . 2]" 3
336 2 52 ASN HB3 2 55 LYS QG 4.200 . 4.200 3.277 2.699 3.750 . 0 0 "[ . 1 . 2]" 3
337 1 14 TYR QE 1 52 ASN HD22 5.500 . 5.500 3.668 2.841 4.737 . 0 0 "[ . 1 . 2]" 3
338 2 14 TYR QE 2 52 ASN HD22 5.500 . 5.500 3.668 2.840 4.736 . 0 0 "[ . 1 . 2]" 3
339 1 14 TYR QD 1 52 ASN H 5.500 . 5.500 3.141 2.846 3.462 . 0 0 "[ . 1 . 2]" 3
340 2 14 TYR QD 2 52 ASN H 5.500 . 5.500 3.141 2.846 3.463 . 0 0 "[ . 1 . 2]" 3
341 1 39 VAL MG2 1 53 PRO QB 4.200 . 4.700 2.759 2.521 3.014 . 0 0 "[ . 1 . 2]" 3
342 2 39 VAL MG2 2 53 PRO QB 4.200 . 4.700 2.759 2.521 3.014 . 0 0 "[ . 1 . 2]" 3
343 1 53 PRO QB 1 58 VAL MG1 5.500 . 6.000 3.465 3.316 3.657 . 0 0 "[ . 1 . 2]" 3
344 2 53 PRO QB 2 58 VAL MG1 5.500 . 6.000 3.465 3.316 3.658 . 0 0 "[ . 1 . 2]" 3
345 1 52 ASN HB2 1 53 PRO QD 5.500 . 5.500 3.628 3.365 3.736 . 0 0 "[ . 1 . 2]" 3
346 2 52 ASN HB2 2 53 PRO QD 5.500 . 5.500 3.628 3.364 3.736 . 0 0 "[ . 1 . 2]" 3
347 1 53 PRO QD 1 54 GLU H 4.200 . 4.200 3.046 2.508 3.596 . 0 0 "[ . 1 . 2]" 3
348 2 53 PRO QD 2 54 GLU H 4.200 . 4.200 3.046 2.509 3.595 . 0 0 "[ . 1 . 2]" 3
349 1 54 GLU H 1 55 LYS QG 5.500 . 5.500 3.609 2.652 4.508 . 0 0 "[ . 1 . 2]" 3
350 2 54 GLU H 2 55 LYS QG 5.500 . 5.500 3.609 2.653 4.509 . 0 0 "[ . 1 . 2]" 3
351 1 55 LYS HA 1 55 LYS QD 3.300 . 3.300 2.128 1.815 2.810 . 0 0 "[ . 1 . 2]" 3
352 2 55 LYS HA 2 55 LYS QD 3.300 . 3.300 2.128 1.815 2.809 . 0 0 "[ . 1 . 2]" 3
353 1 55 LYS QB 1 58 VAL MG1 5.500 . 6.000 3.475 3.122 3.787 . 0 0 "[ . 1 . 2]" 3
354 2 55 LYS QB 2 58 VAL MG1 5.500 . 6.000 3.475 3.121 3.787 . 0 0 "[ . 1 . 2]" 3
355 1 55 LYS QB 1 58 VAL MG2 5.500 . 6.000 1.785 1.646 1.907 0.154 15 0 "[ . 1 . 2]" 3
356 2 55 LYS QB 2 58 VAL MG2 5.500 . 6.000 1.785 1.645 1.906 0.155 15 0 "[ . 1 . 2]" 3
357 1 55 LYS QG 1 58 VAL MG2 5.500 . 6.000 2.156 1.792 3.060 0.008 14 0 "[ . 1 . 2]" 3
358 2 55 LYS QG 2 58 VAL MG2 5.500 . 6.000 2.156 1.791 3.059 0.009 14 0 "[ . 1 . 2]" 3
359 1 55 LYS H 1 55 LYS QG 4.200 . 4.200 2.923 2.223 3.545 . 0 0 "[ . 1 . 2]" 3
360 2 55 LYS H 2 55 LYS QG 4.200 . 4.200 2.923 2.223 3.546 . 0 0 "[ . 1 . 2]" 3
361 1 56 LYS HA 1 56 LYS QB 2.700 . 2.700 2.247 2.194 2.414 . 0 0 "[ . 1 . 2]" 3
362 2 56 LYS HA 2 56 LYS QB 2.700 . 2.700 2.247 2.193 2.413 . 0 0 "[ . 1 . 2]" 3
363 1 56 LYS H 1 56 LYS QB 3.300 . 3.300 2.699 2.265 2.925 . 0 0 "[ . 1 . 2]" 3
364 2 56 LYS H 2 56 LYS QB 3.300 . 3.300 2.699 2.266 2.925 . 0 0 "[ . 1 . 2]" 3
365 1 56 LYS H 1 56 LYS QD 5.500 . 5.500 4.012 3.170 4.792 . 0 0 "[ . 1 . 2]" 3
366 2 56 LYS H 2 56 LYS QD 5.500 . 5.500 4.012 3.169 4.792 . 0 0 "[ . 1 . 2]" 3
367 1 56 LYS H 1 56 LYS QE 5.500 . 5.500 4.240 2.279 4.880 . 0 0 "[ . 1 . 2]" 3
368 2 56 LYS H 2 56 LYS QE 5.500 . 5.500 4.240 2.279 4.880 . 0 0 "[ . 1 . 2]" 3
369 1 57 TRP HA 1 57 TRP QB 2.700 . 2.700 2.199 2.192 2.201 . 0 0 "[ . 1 . 2]" 3
370 2 57 TRP HA 2 57 TRP QB 2.700 . 2.700 2.199 2.192 2.201 . 0 0 "[ . 1 . 2]" 3
371 1 55 LYS QB 1 57 TRP HD1 4.200 . 4.200 3.293 2.823 3.695 . 0 0 "[ . 1 . 2]" 3
372 2 55 LYS QB 2 57 TRP HD1 4.200 . 4.200 3.293 2.823 3.696 . 0 0 "[ . 1 . 2]" 3
373 1 56 LYS QB 1 57 TRP HD1 5.500 . 5.500 4.172 3.026 4.844 . 0 0 "[ . 1 . 2]" 3
374 2 56 LYS QB 2 57 TRP HD1 5.500 . 5.500 4.173 3.027 4.844 . 0 0 "[ . 1 . 2]" 3
375 1 55 LYS QB 1 57 TRP HE1 5.500 . 5.500 3.146 2.041 3.538 . 0 0 "[ . 1 . 2]" 3
376 2 55 LYS QB 2 57 TRP HE1 5.500 . 5.500 3.146 2.041 3.537 . 0 0 "[ . 1 . 2]" 3
377 1 55 LYS QD 1 57 TRP HE1 5.500 . 5.500 2.976 2.204 4.370 . 0 0 "[ . 1 . 2]" 3
378 2 55 LYS QD 2 57 TRP HE1 5.500 . 5.500 2.976 2.204 4.371 . 0 0 "[ . 1 . 2]" 3
379 1 55 LYS QB 1 57 TRP H 5.500 . 5.500 2.566 2.161 4.112 . 0 0 "[ . 1 . 2]" 3
380 2 55 LYS QB 2 57 TRP H 5.500 . 5.500 2.566 2.162 4.112 . 0 0 "[ . 1 . 2]" 3
381 1 56 LYS QB 1 57 TRP H 4.200 . 4.200 3.292 1.861 3.773 . 0 0 "[ . 1 . 2]" 3
382 2 56 LYS QB 2 57 TRP H 4.200 . 4.200 3.292 1.860 3.772 . 0 0 "[ . 1 . 2]" 3
383 1 56 LYS QD 1 57 TRP H 5.500 . 5.500 4.465 3.627 4.934 . 0 0 "[ . 1 . 2]" 3
384 2 56 LYS QD 2 57 TRP H 5.500 . 5.500 4.465 3.628 4.934 . 0 0 "[ . 1 . 2]" 3
385 1 19 LEU QB 1 57 TRP HZ3 5.500 . 5.500 4.280 3.765 4.676 . 0 0 "[ . 1 . 2]" 3
386 2 19 LEU QB 2 57 TRP HZ3 5.500 . 5.500 4.280 3.766 4.676 . 0 0 "[ . 1 . 2]" 3
387 1 55 LYS QB 1 58 VAL H 4.200 . 4.200 2.241 2.032 2.870 . 0 0 "[ . 1 . 2]" 3
388 2 55 LYS QB 2 58 VAL H 4.200 . 4.200 2.241 2.032 2.870 . 0 0 "[ . 1 . 2]" 3
389 1 58 VAL H 1 59 ARG QB 5.500 . 5.500 4.700 4.588 4.798 . 0 0 "[ . 1 . 2]" 3
390 2 58 VAL H 2 59 ARG QB 5.500 . 5.500 4.700 4.587 4.799 . 0 0 "[ . 1 . 2]" 3
391 1 59 ARG HA 1 59 ARG QB 2.700 . 2.700 2.401 2.371 2.446 . 0 0 "[ . 1 . 2]" 3
392 2 59 ARG HA 2 59 ARG QB 2.700 . 2.700 2.401 2.371 2.447 . 0 0 "[ . 1 . 2]" 3
393 1 59 ARG QB 1 59 ARG HE 4.200 . 4.200 2.862 1.933 3.744 . 0 0 "[ . 1 . 2]" 3
394 2 59 ARG QB 2 59 ARG HE 4.200 . 4.200 2.862 1.932 3.744 . 0 0 "[ . 1 . 2]" 3
395 1 60 GLU HA 1 63 ASN QB 3.300 . 3.300 2.814 2.646 2.936 . 0 0 "[ . 1 . 2]" 3
396 2 60 GLU HA 2 63 ASN QB 3.300 . 3.300 2.814 2.645 2.936 . 0 0 "[ . 1 . 2]" 3
397 1 59 ARG QB 1 60 GLU H 4.200 . 4.200 2.915 2.772 3.099 . 0 0 "[ . 1 . 2]" 3
398 2 59 ARG QB 2 60 GLU H 4.200 . 4.200 2.915 2.772 3.099 . 0 0 "[ . 1 . 2]" 3
399 1 60 GLU H 1 63 ASN QB 5.500 . 5.500 4.874 4.727 4.961 . 0 0 "[ . 1 . 2]" 3
400 2 60 GLU H 2 63 ASN QB 5.500 . 5.500 4.874 4.727 4.961 . 0 0 "[ . 1 . 2]" 3
401 1 18 PRO QB 1 61 TYR QD 5.500 . 6.500 4.968 4.420 5.160 . 0 0 "[ . 1 . 2]" 3
402 2 18 PRO QB 2 61 TYR QD 5.500 . 6.500 4.968 4.421 5.161 . 0 0 "[ . 1 . 2]" 3
403 1 19 LEU QD 1 61 TYR QD 5.500 . 7.000 2.759 2.320 2.987 . 0 0 "[ . 1 . 2]" 3
404 2 19 LEU QD 2 61 TYR QD 5.500 . 7.000 2.759 2.319 2.988 . 0 0 "[ . 1 . 2]" 3
405 1 21 ARG HA 1 61 TYR QD 5.500 . 5.500 4.432 3.902 4.892 . 0 0 "[ . 1 . 2]" 3
406 2 21 ARG HA 2 61 TYR QD 5.500 . 5.500 4.432 3.902 4.893 . 0 0 "[ . 1 . 2]" 3
407 1 21 ARG QD 1 61 TYR QD 4.200 . 5.200 3.966 3.286 4.131 . 0 0 "[ . 1 . 2]" 3
408 2 21 ARG QD 2 61 TYR QD 4.200 . 5.200 3.966 3.285 4.130 . 0 0 "[ . 1 . 2]" 3
409 1 24 ILE MD 1 61 TYR QD 4.200 . 4.700 2.504 1.840 3.054 . 0 0 "[ . 1 . 2]" 3
410 2 24 ILE MD 2 61 TYR QD 4.200 . 4.700 2.504 1.841 3.054 . 0 0 "[ . 1 . 2]" 3
411 1 24 ILE QG 1 61 TYR QD 5.500 . 6.500 4.490 3.835 4.981 . 0 0 "[ . 1 . 2]" 3
412 2 24 ILE QG 2 61 TYR QD 5.500 . 6.500 4.490 3.836 4.981 . 0 0 "[ . 1 . 2]" 3
413 1 24 ILE MG 1 61 TYR QD 5.500 . 6.000 3.885 3.413 4.318 . 0 0 "[ . 1 . 2]" 3
414 2 24 ILE MG 2 61 TYR QD 5.500 . 6.000 3.885 3.413 4.318 . 0 0 "[ . 1 . 2]" 3
415 1 57 TRP HE3 1 61 TYR QD 4.200 . 4.200 2.964 2.164 3.520 . 0 0 "[ . 1 . 2]" 3
416 2 57 TRP HE3 2 61 TYR QD 4.200 . 4.200 2.964 2.166 3.520 . 0 0 "[ . 1 . 2]" 3
417 1 57 TRP HZ3 1 61 TYR QD 4.200 . 4.200 2.543 1.875 2.998 . 0 0 "[ . 1 . 2]" 3
418 2 57 TRP HZ3 2 61 TYR QD 4.200 . 4.200 2.544 1.876 2.998 . 0 0 "[ . 1 . 2]" 3
419 1 60 GLU HB3 1 61 TYR QD 5.500 . 5.500 3.622 2.747 4.909 . 0 0 "[ . 1 . 2]" 3
420 2 60 GLU HB3 2 61 TYR QD 5.500 . 5.500 3.622 2.747 4.909 . 0 0 "[ . 1 . 2]" 3
421 1 61 TYR HA 1 61 TYR QD 3.300 . 3.300 1.885 1.807 2.072 . 0 0 "[ . 1 . 2]" 3
422 2 61 TYR HA 2 61 TYR QD 3.300 . 3.300 1.885 1.808 2.072 . 0 0 "[ . 1 . 2]" 3
423 1 61 TYR HB3 1 61 TYR QD 3.300 . 3.300 2.647 2.487 2.780 . 0 0 "[ . 1 . 2]" 3
424 2 61 TYR HB3 2 61 TYR QD 3.300 . 3.300 2.647 2.487 2.779 . 0 0 "[ . 1 . 2]" 3
425 1 61 TYR QD 1 64 SER HB3 5.500 . 5.500 4.373 3.628 4.907 . 0 0 "[ . 1 . 2]" 3
426 2 61 TYR QD 2 64 SER HB3 5.500 . 5.500 4.373 3.629 4.907 . 0 0 "[ . 1 . 2]" 3
427 1 61 TYR QD 1 64 SER HB2 5.500 . 5.500 4.745 4.371 4.922 . 0 0 "[ . 1 . 2]" 3
428 2 61 TYR QD 2 64 SER HB2 5.500 . 5.500 4.745 4.371 4.922 . 0 0 "[ . 1 . 2]" 3
429 1 18 PRO HA 1 61 TYR QE 5.500 . 5.500 4.534 3.860 4.920 . 0 0 "[ . 1 . 2]" 3
430 2 18 PRO HA 2 61 TYR QE 5.500 . 5.500 4.534 3.860 4.920 . 0 0 "[ . 1 . 2]" 3
431 1 18 PRO HB2 1 61 TYR QE 5.500 . 5.500 3.813 3.198 4.225 . 0 0 "[ . 1 . 2]" 3
432 2 18 PRO HB2 2 61 TYR QE 5.500 . 5.500 3.813 3.197 4.226 . 0 0 "[ . 1 . 2]" 3
433 1 18 PRO HB3 1 61 TYR QE 5.500 . 5.500 4.610 3.950 4.910 . 0 0 "[ . 1 . 2]" 3
434 2 18 PRO HB3 2 61 TYR QE 5.500 . 5.500 4.610 3.950 4.910 . 0 0 "[ . 1 . 2]" 3
435 1 19 LEU QB 1 61 TYR QE 4.200 . 4.200 3.001 2.553 3.344 . 0 0 "[ . 1 . 2]" 3
436 2 19 LEU QB 2 61 TYR QE 4.200 . 4.200 3.001 2.555 3.345 . 0 0 "[ . 1 . 2]" 3
437 1 19 LEU MD2 1 61 TYR QE 5.500 . 6.000 4.196 3.541 4.467 . 0 0 "[ . 1 . 2]" 3
438 2 19 LEU MD2 2 61 TYR QE 5.500 . 6.000 4.195 3.541 4.467 . 0 0 "[ . 1 . 2]" 3
439 1 19 LEU MD1 1 61 TYR QE 5.500 . 6.000 2.617 2.152 3.307 . 0 0 "[ . 1 . 2]" 3
440 2 19 LEU MD1 2 61 TYR QE 5.500 . 6.000 2.617 2.152 3.307 . 0 0 "[ . 1 . 2]" 3
441 1 19 LEU HG 1 61 TYR QE 5.500 . 5.500 3.962 1.865 4.917 . 0 0 "[ . 1 . 2]" 3
442 2 19 LEU HG 2 61 TYR QE 5.500 . 5.500 3.962 1.865 4.916 . 0 0 "[ . 1 . 2]" 3
443 1 19 LEU H 1 61 TYR QE 4.200 . 4.200 2.435 2.031 2.796 . 0 0 "[ . 1 . 2]" 3
444 2 19 LEU H 2 61 TYR QE 4.200 . 4.200 2.436 2.030 2.796 . 0 0 "[ . 1 . 2]" 3
445 1 20 PRO QD 1 61 TYR QE 5.500 . 6.500 4.740 4.436 5.164 . 0 0 "[ . 1 . 2]" 3
446 2 20 PRO QD 2 61 TYR QE 5.500 . 6.500 4.740 4.436 5.164 . 0 0 "[ . 1 . 2]" 3
447 1 21 ARG HA 1 61 TYR QE 4.200 . 4.200 3.533 2.666 3.754 . 0 0 "[ . 1 . 2]" 3
448 2 21 ARG HA 2 61 TYR QE 4.200 . 4.200 3.533 2.666 3.753 . 0 0 "[ . 1 . 2]" 3
449 1 21 ARG HG2 1 61 TYR QE 5.500 . 5.500 3.559 2.046 4.902 . 0 0 "[ . 1 . 2]" 3
450 2 21 ARG HG2 2 61 TYR QE 5.500 . 5.500 3.559 2.045 4.902 . 0 0 "[ . 1 . 2]" 3
451 1 21 ARG HG3 1 61 TYR QE 5.500 . 5.500 3.560 1.872 4.903 . 0 0 "[ . 1 . 2]" 3
452 2 21 ARG HG3 2 61 TYR QE 5.500 . 5.500 3.560 1.872 4.903 . 0 0 "[ . 1 . 2]" 3
453 1 24 ILE MD 1 61 TYR QE 4.200 . 4.700 2.386 1.899 3.056 . 0 0 "[ . 1 . 2]" 3
454 2 24 ILE MD 2 61 TYR QE 4.200 . 4.700 2.386 1.899 3.057 . 0 0 "[ . 1 . 2]" 3
455 1 24 ILE QG 1 61 TYR QE 5.500 . 6.500 4.094 3.540 4.683 . 0 0 "[ . 1 . 2]" 3
456 2 24 ILE QG 2 61 TYR QE 5.500 . 6.500 4.094 3.540 4.683 . 0 0 "[ . 1 . 2]" 3
457 1 57 TRP HE3 1 61 TYR QE 4.200 . 4.200 3.298 2.464 3.743 . 0 0 "[ . 1 . 2]" 3
458 2 57 TRP HE3 2 61 TYR QE 4.200 . 4.200 3.298 2.463 3.743 . 0 0 "[ . 1 . 2]" 3
459 1 57 TRP HZ3 1 61 TYR QE 4.200 . 4.200 3.444 3.052 3.746 . 0 0 "[ . 1 . 2]" 3
460 2 57 TRP HZ3 2 61 TYR QE 4.200 . 4.200 3.444 3.052 3.748 . 0 0 "[ . 1 . 2]" 3
461 1 61 TYR H 1 61 TYR QD 4.200 . 4.200 3.078 2.505 3.618 . 0 0 "[ . 1 . 2]" 3
462 2 61 TYR H 2 61 TYR QD 4.200 . 4.200 3.077 2.506 3.617 . 0 0 "[ . 1 . 2]" 3
463 1 41 PHE QE 1 62 ILE H 5.500 . 5.500 3.996 3.788 4.277 . 0 0 "[ . 1 . 2]" 3
464 2 41 PHE QE 2 62 ILE H 5.500 . 5.500 3.996 3.787 4.276 . 0 0 "[ . 1 . 2]" 3
465 1 62 ILE H 1 63 ASN QB 5.500 . 5.500 4.500 4.426 4.618 . 0 0 "[ . 1 . 2]" 3
466 2 62 ILE H 2 63 ASN QB 5.500 . 5.500 4.500 4.427 4.620 . 0 0 "[ . 1 . 2]" 3
467 1 63 ASN HA 1 63 ASN QB 2.700 . 2.700 2.326 2.305 2.419 . 0 0 "[ . 1 . 2]" 3
468 2 63 ASN HA 2 63 ASN QB 2.700 . 2.700 2.326 2.304 2.418 . 0 0 "[ . 1 . 2]" 3
469 1 63 ASN H 1 63 ASN QB 3.300 . 3.300 2.261 2.243 2.340 . 0 0 "[ . 1 . 2]" 3
470 2 63 ASN H 2 63 ASN QB 3.300 . 3.300 2.261 2.243 2.341 . 0 0 "[ . 1 . 2]" 3
471 1 63 ASN QB 1 64 SER H 4.200 . 4.200 2.670 2.014 3.059 . 0 0 "[ . 1 . 2]" 3
472 2 63 ASN QB 2 64 SER H 4.200 . 4.200 2.670 2.015 3.059 . 0 0 "[ . 1 . 2]" 3
473 1 66 GLU HA 1 66 GLU QG 3.300 . 3.300 2.483 2.164 2.919 . 0 0 "[ . 1 . 2]" 3
474 2 66 GLU HA 2 66 GLU QG 3.300 . 3.300 2.483 2.163 2.918 . 0 0 "[ . 1 . 2]" 3
475 1 62 ILE MG 1 66 GLU QG 5.500 . 6.000 2.911 2.049 3.728 . 0 0 "[ . 1 . 2]" 3
476 2 62 ILE MG 2 66 GLU QG 5.500 . 6.000 2.911 2.049 3.728 . 0 0 "[ . 1 . 2]" 3
477 1 66 GLU H 1 66 GLU QG 4.200 . 4.200 2.482 2.035 3.299 . 0 0 "[ . 1 . 2]" 3
478 2 66 GLU H 2 66 GLU QG 4.200 . 4.200 2.482 2.036 3.300 . 0 0 "[ . 1 . 2]" 3
479 1 67 MET HA 1 67 MET QG 3.300 . 3.300 2.051 1.898 2.623 . 0 0 "[ . 1 . 2]" 3
480 2 67 MET HA 2 67 MET QG 3.300 . 3.300 2.051 1.897 2.623 . 0 0 "[ . 1 . 2]" 3
481 1 67 MET H 1 67 MET QG 4.200 . 4.200 3.655 3.429 3.838 . 0 0 "[ . 1 . 2]" 3
482 2 67 MET H 2 67 MET QG 4.200 . 4.200 3.656 3.430 3.839 . 0 0 "[ . 1 . 2]" 3
483 1 67 MET QG 1 68 SER H 4.200 . 4.200 2.846 1.874 3.777 . 0 0 "[ . 1 . 2]" 3
484 2 67 MET QG 2 68 SER H 4.200 . 4.200 2.846 1.876 3.777 . 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 94
_Distance_constraint_stats_list.Viol_count 49
_Distance_constraint_stats_list.Viol_total 31.237
_Distance_constraint_stats_list.Viol_max 0.136
_Distance_constraint_stats_list.Viol_rms 0.0085
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0008
_Distance_constraint_stats_list.Viol_average_violations_only 0.0319
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 4 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 5 SER 0.037 0.020 14 0 "[ . 1 . 2]"
1 6 ASP 0.039 0.010 16 0 "[ . 1 . 2]"
1 7 THR 0.714 0.135 15 0 "[ . 1 . 2]"
1 8 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 PRO 0.014 0.006 10 0 "[ . 1 . 2]"
1 10 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 ALA 0.034 0.021 14 0 "[ . 1 . 2]"
1 15 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 33 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 40 VAL 0.676 0.136 15 0 "[ . 1 . 2]"
1 48 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 49 VAL 0.033 0.010 16 0 "[ . 1 . 2]"
1 50 CYS 0.014 0.008 14 0 "[ . 1 . 2]"
2 4 SER 0.000 0.000 . 0 "[ . 1 . 2]"
2 5 SER 0.034 0.021 14 0 "[ . 1 . 2]"
2 6 ASP 0.033 0.010 16 0 "[ . 1 . 2]"
2 7 THR 0.704 0.136 15 0 "[ . 1 . 2]"
2 8 THR 0.000 0.000 . 0 "[ . 1 . 2]"
2 9 PRO 0.019 0.005 10 0 "[ . 1 . 2]"
2 10 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
2 11 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
2 12 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
2 13 ALA 0.037 0.020 14 0 "[ . 1 . 2]"
2 15 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
2 33 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
2 40 VAL 0.680 0.135 15 0 "[ . 1 . 2]"
2 48 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
2 49 VAL 0.039 0.010 16 0 "[ . 1 . 2]"
2 50 CYS 0.015 0.009 14 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 4 SER HA 2 13 ALA MB 5.500 . 6.000 4.330 3.313 4.845 . 0 0 "[ . 1 . 2]" 4
2 1 13 ALA MB 2 4 SER HA 5.500 . 6.000 4.330 3.313 4.845 . 0 0 "[ . 1 . 2]" 4
3 1 4 SER HB2 2 13 ALA MB 5.500 . 6.000 4.210 3.362 4.977 . 0 0 "[ . 1 . 2]" 4
4 1 13 ALA MB 2 4 SER HB2 5.500 . 6.000 4.210 3.360 4.987 . 0 0 "[ . 1 . 2]" 4
5 1 4 SER HB3 2 13 ALA MB 5.500 . 6.000 4.173 3.001 4.976 . 0 0 "[ . 1 . 2]" 4
6 1 13 ALA MB 2 4 SER HB3 5.500 . 6.000 4.173 3.002 4.992 . 0 0 "[ . 1 . 2]" 4
7 1 4 SER H 2 13 ALA MB 5.500 . 6.000 3.837 2.721 4.928 . 0 0 "[ . 1 . 2]" 4
8 1 13 ALA MB 2 4 SER H 5.500 . 6.000 3.837 2.706 4.927 . 0 0 "[ . 1 . 2]" 4
9 1 5 SER HA 2 13 ALA MB 4.200 . 4.700 2.090 1.780 2.769 0.020 14 0 "[ . 1 . 2]" 4
10 1 13 ALA MB 2 5 SER HA 4.200 . 4.700 2.090 1.779 2.769 0.021 14 0 "[ . 1 . 2]" 4
11 1 5 SER QB 2 13 ALA HA 5.500 . 6.500 5.254 3.949 5.756 . 0 0 "[ . 1 . 2]" 4
12 1 13 ALA HA 2 5 SER QB 5.500 . 6.500 5.254 3.938 5.758 . 0 0 "[ . 1 . 2]" 4
13 1 5 SER HB3 2 13 ALA MB 5.500 . 6.000 3.079 2.089 3.834 . 0 0 "[ . 1 . 2]" 4
14 1 13 ALA MB 2 5 SER HB3 5.500 . 6.000 3.078 2.074 3.834 . 0 0 "[ . 1 . 2]" 4
15 1 5 SER HB2 2 13 ALA MB 5.500 . 6.000 3.816 3.233 4.430 . 0 0 "[ . 1 . 2]" 4
16 1 13 ALA MB 2 5 SER HB2 5.500 . 6.000 3.815 3.218 4.434 . 0 0 "[ . 1 . 2]" 4
17 1 5 SER HB3 2 15 ILE HB 5.500 . 5.500 3.256 2.592 4.200 . 0 0 "[ . 1 . 2]" 4
18 1 15 ILE HB 2 5 SER HB3 5.500 . 5.500 3.257 2.605 4.203 . 0 0 "[ . 1 . 2]" 4
19 1 5 SER HB2 2 15 ILE HB 5.500 . 5.500 2.919 2.199 4.111 . 0 0 "[ . 1 . 2]" 4
20 1 15 ILE HB 2 5 SER HB2 5.500 . 5.500 2.917 2.196 4.116 . 0 0 "[ . 1 . 2]" 4
21 1 5 SER QB 2 15 ILE MG 5.500 . 7.000 3.772 3.226 4.406 . 0 0 "[ . 1 . 2]" 4
22 1 15 ILE MG 2 5 SER QB 5.500 . 7.000 3.773 3.227 4.409 . 0 0 "[ . 1 . 2]" 4
23 1 5 SER H 2 13 ALA MB 5.500 . 6.000 3.975 3.335 4.622 . 0 0 "[ . 1 . 2]" 4
24 1 13 ALA MB 2 5 SER H 5.500 . 6.000 3.974 3.332 4.622 . 0 0 "[ . 1 . 2]" 4
25 1 6 ASP HA 2 49 VAL HA 2.700 . 2.700 2.651 2.467 2.710 0.010 16 0 "[ . 1 . 2]" 4
26 1 49 VAL HA 2 6 ASP HA 2.700 . 2.700 2.652 2.477 2.710 0.010 16 0 "[ . 1 . 2]" 4
27 1 6 ASP HA 2 49 VAL MG1 5.500 . 6.000 4.139 3.894 4.293 . 0 0 "[ . 1 . 2]" 4
28 1 49 VAL MG1 2 6 ASP HA 5.500 . 6.000 4.139 3.902 4.299 . 0 0 "[ . 1 . 2]" 4
29 1 6 ASP HA 2 49 VAL MG2 5.500 . 6.000 4.147 4.022 4.328 . 0 0 "[ . 1 . 2]" 4
30 1 49 VAL MG2 2 6 ASP HA 5.500 . 6.000 4.148 4.021 4.326 . 0 0 "[ . 1 . 2]" 4
31 1 7 THR HA 2 9 PRO HB2 5.500 . 5.500 5.339 4.956 5.505 0.005 10 0 "[ . 1 . 2]" 4
32 1 9 PRO HB2 2 7 THR HA 5.500 . 5.500 5.340 4.954 5.506 0.006 10 0 "[ . 1 . 2]" 4
33 1 7 THR HA 2 40 VAL MG2 5.500 . 6.000 4.001 3.596 4.360 . 0 0 "[ . 1 . 2]" 4
34 1 40 VAL MG2 2 7 THR HA 5.500 . 6.000 4.002 3.594 4.360 . 0 0 "[ . 1 . 2]" 4
35 1 7 THR HB 2 9 PRO HB3 4.200 . 4.200 3.603 3.092 3.982 . 0 0 "[ . 1 . 2]" 4
36 1 9 PRO HB3 2 7 THR HB 4.200 . 4.200 3.603 3.090 3.982 . 0 0 "[ . 1 . 2]" 4
37 1 7 THR HB 2 9 PRO HB2 4.200 . 4.200 3.527 2.763 4.172 . 0 0 "[ . 1 . 2]" 4
38 1 9 PRO HB2 2 7 THR HB 4.200 . 4.200 3.527 2.762 4.170 . 0 0 "[ . 1 . 2]" 4
39 1 7 THR HB 2 40 VAL MG2 5.500 . 6.000 3.710 2.113 4.210 . 0 0 "[ . 1 . 2]" 4
40 1 40 VAL MG2 2 7 THR HB 5.500 . 6.000 3.710 2.113 4.208 . 0 0 "[ . 1 . 2]" 4
41 1 7 THR MG 2 40 VAL MG2 4.200 . 5.200 1.886 1.665 3.238 0.135 15 0 "[ . 1 . 2]" 4
42 1 40 VAL MG2 2 7 THR MG 4.200 . 5.200 1.886 1.664 3.237 0.136 15 0 "[ . 1 . 2]" 4
43 1 7 THR H 2 40 VAL MG1 5.500 . 6.000 4.226 3.768 4.804 . 0 0 "[ . 1 . 2]" 4
44 1 40 VAL MG1 2 7 THR H 5.500 . 6.000 4.226 3.776 4.802 . 0 0 "[ . 1 . 2]" 4
45 1 7 THR H 2 40 VAL MG2 5.500 . 6.000 4.377 3.726 4.838 . 0 0 "[ . 1 . 2]" 4
46 1 40 VAL MG2 2 7 THR H 5.500 . 6.000 4.378 3.725 4.837 . 0 0 "[ . 1 . 2]" 4
47 1 7 THR H 2 48 GLN HB3 5.500 . 5.500 3.507 2.803 4.360 . 0 0 "[ . 1 . 2]" 4
48 1 48 GLN HB3 2 7 THR H 5.500 . 5.500 3.508 2.799 4.371 . 0 0 "[ . 1 . 2]" 4
49 1 7 THR H 2 48 GLN HB2 5.500 . 5.500 3.184 2.419 3.904 . 0 0 "[ . 1 . 2]" 4
50 1 48 GLN HB2 2 7 THR H 5.500 . 5.500 3.184 2.418 3.905 . 0 0 "[ . 1 . 2]" 4
51 1 7 THR H 2 49 VAL HA 5.500 . 5.500 4.064 3.799 4.544 . 0 0 "[ . 1 . 2]" 4
52 1 49 VAL HA 2 7 THR H 5.500 . 5.500 4.064 3.801 4.544 . 0 0 "[ . 1 . 2]" 4
53 1 8 THR H 2 11 CYS HA 5.500 . 5.500 3.675 3.185 4.183 . 0 0 "[ . 1 . 2]" 4
54 1 11 CYS HA 2 8 THR H 5.500 . 5.500 3.675 3.185 4.183 . 0 0 "[ . 1 . 2]" 4
55 1 8 THR H 2 11 CYS H 5.500 . 5.500 4.870 4.504 5.142 . 0 0 "[ . 1 . 2]" 4
56 1 11 CYS H 2 8 THR H 5.500 . 5.500 4.870 4.504 5.138 . 0 0 "[ . 1 . 2]" 4
57 1 9 PRO HA 2 7 THR HB 4.200 . 4.200 2.673 2.240 3.993 . 0 0 "[ . 1 . 2]" 4
58 1 7 THR HB 2 9 PRO HA 4.200 . 4.200 2.673 2.240 3.993 . 0 0 "[ . 1 . 2]" 4
59 1 10 CYS H 2 7 THR HA 5.500 . 5.500 4.428 3.759 4.813 . 0 0 "[ . 1 . 2]" 4
60 1 7 THR HA 2 10 CYS H 5.500 . 5.500 4.428 3.758 4.813 . 0 0 "[ . 1 . 2]" 4
61 1 10 CYS H 2 7 THR HB 5.500 . 5.500 3.545 2.809 5.114 . 0 0 "[ . 1 . 2]" 4
62 1 7 THR HB 2 10 CYS H 5.500 . 5.500 3.545 2.810 5.114 . 0 0 "[ . 1 . 2]" 4
63 1 10 CYS H 2 7 THR MG 5.500 . 6.000 4.390 3.689 4.835 . 0 0 "[ . 1 . 2]" 4
64 1 7 THR MG 2 10 CYS H 5.500 . 6.000 4.390 3.688 4.837 . 0 0 "[ . 1 . 2]" 4
65 1 11 CYS HA 2 7 THR HA 3.300 . 3.300 2.692 2.222 3.154 . 0 0 "[ . 1 . 2]" 4
66 1 7 THR HA 2 11 CYS HA 3.300 . 3.300 2.692 2.224 3.155 . 0 0 "[ . 1 . 2]" 4
67 1 11 CYS HA 2 7 THR HB 5.500 . 5.500 4.703 3.913 5.452 . 0 0 "[ . 1 . 2]" 4
68 1 7 THR HB 2 11 CYS HA 5.500 . 5.500 4.704 3.915 5.451 . 0 0 "[ . 1 . 2]" 4
69 1 11 CYS HA 2 8 THR HB 5.500 . 5.500 4.763 4.137 5.212 . 0 0 "[ . 1 . 2]" 4
70 1 8 THR HB 2 11 CYS HA 5.500 . 5.500 4.763 4.138 5.212 . 0 0 "[ . 1 . 2]" 4
71 1 12 PHE HB3 2 33 LYS HD2 5.500 . 5.500 4.633 3.771 5.370 . 0 0 "[ . 1 . 2]" 4
72 1 33 LYS HD2 2 12 PHE HB3 5.500 . 5.500 4.633 3.772 5.367 . 0 0 "[ . 1 . 2]" 4
73 1 12 PHE HB3 2 33 LYS HD3 5.500 . 5.500 3.947 3.460 4.671 . 0 0 "[ . 1 . 2]" 4
74 1 33 LYS HD3 2 12 PHE HB3 5.500 . 5.500 3.946 3.463 4.675 . 0 0 "[ . 1 . 2]" 4
75 1 15 ILE HA 2 5 SER HB3 5.500 . 5.500 3.590 2.755 4.260 . 0 0 "[ . 1 . 2]" 4
76 1 5 SER HB3 2 15 ILE HA 5.500 . 5.500 3.591 2.757 4.263 . 0 0 "[ . 1 . 2]" 4
77 1 15 ILE HA 2 5 SER HB2 5.500 . 5.500 4.280 3.363 4.945 . 0 0 "[ . 1 . 2]" 4
78 1 5 SER HB2 2 15 ILE HA 5.500 . 5.500 4.281 3.363 4.947 . 0 0 "[ . 1 . 2]" 4
79 1 15 ILE H 2 5 SER HA 5.500 . 5.500 5.004 4.148 5.492 . 0 0 "[ . 1 . 2]" 4
80 1 5 SER HA 2 15 ILE H 5.500 . 5.500 5.003 4.146 5.497 . 0 0 "[ . 1 . 2]" 4
81 1 15 ILE H 2 5 SER HB3 5.500 . 5.500 3.717 2.181 4.975 . 0 0 "[ . 1 . 2]" 4
82 1 5 SER HB3 2 15 ILE H 5.500 . 5.500 3.716 2.179 4.985 . 0 0 "[ . 1 . 2]" 4
83 1 15 ILE H 2 5 SER HB2 5.500 . 5.500 3.539 2.369 4.633 . 0 0 "[ . 1 . 2]" 4
84 1 5 SER HB2 2 15 ILE H 5.500 . 5.500 3.539 2.369 4.635 . 0 0 "[ . 1 . 2]" 4
85 1 48 GLN H 2 7 THR H 5.500 . 5.500 5.075 4.531 5.384 . 0 0 "[ . 1 . 2]" 4
86 1 7 THR H 2 48 GLN H 5.500 . 5.500 5.075 4.530 5.381 . 0 0 "[ . 1 . 2]" 4
87 1 50 CYS H 2 5 SER HB2 5.500 . 5.500 2.974 1.950 3.778 . 0 0 "[ . 1 . 2]" 4
88 1 5 SER HB2 2 50 CYS H 5.500 . 5.500 2.973 1.952 3.783 . 0 0 "[ . 1 . 2]" 4
89 1 50 CYS H 2 5 SER HB3 5.500 . 5.500 4.514 3.431 5.306 . 0 0 "[ . 1 . 2]" 4
90 1 5 SER HB3 2 50 CYS H 5.500 . 5.500 4.513 3.436 5.313 . 0 0 "[ . 1 . 2]" 4
91 1 50 CYS H 2 6 ASP HA 5.500 . 5.500 3.277 2.226 3.922 . 0 0 "[ . 1 . 2]" 4
92 1 6 ASP HA 2 50 CYS H 5.500 . 5.500 3.277 2.231 3.922 . 0 0 "[ . 1 . 2]" 4
93 1 50 CYS H 2 7 THR H 5.500 . 5.500 4.747 3.356 5.508 0.008 14 0 "[ . 1 . 2]" 4
94 1 7 THR H 2 50 CYS H 5.500 . 5.500 4.747 3.357 5.509 0.009 14 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 1240
_Distance_constraint_stats_list.Viol_count 759
_Distance_constraint_stats_list.Viol_total 208.871
_Distance_constraint_stats_list.Viol_max 0.178
_Distance_constraint_stats_list.Viol_rms 0.0048
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0004
_Distance_constraint_stats_list.Viol_average_violations_only 0.0138
_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 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 2 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 3 TYR 0.051 0.051 11 0 "[ . 1 . 2]"
1 4 SER 0.123 0.061 10 0 "[ . 1 . 2]"
1 5 SER 0.072 0.061 10 0 "[ . 1 . 2]"
1 6 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 7 THR 0.022 0.022 16 0 "[ . 1 . 2]"
1 8 THR 0.216 0.061 18 0 "[ . 1 . 2]"
1 9 PRO 0.172 0.061 18 0 "[ . 1 . 2]"
1 10 CYS 0.021 0.018 16 0 "[ . 1 . 2]"
1 11 CYS 0.193 0.029 18 0 "[ . 1 . 2]"
1 12 PHE 0.055 0.007 20 0 "[ . 1 . 2]"
1 13 ALA 0.095 0.017 16 0 "[ . 1 . 2]"
1 14 TYR 0.008 0.003 16 0 "[ . 1 . 2]"
1 15 ILE 0.155 0.057 9 0 "[ . 1 . 2]"
1 16 ALA 0.033 0.008 9 0 "[ . 1 . 2]"
1 17 ARG 0.195 0.057 9 0 "[ . 1 . 2]"
1 18 PRO 0.015 0.006 15 0 "[ . 1 . 2]"
1 19 LEU 1.334 0.178 3 0 "[ . 1 . 2]"
1 20 PRO 0.009 0.007 18 0 "[ . 1 . 2]"
1 21 ARG 0.026 0.006 13 0 "[ . 1 . 2]"
1 22 ALA 0.031 0.008 19 0 "[ . 1 . 2]"
1 23 HIS 0.168 0.021 9 0 "[ . 1 . 2]"
1 24 ILE 0.959 0.178 3 0 "[ . 1 . 2]"
1 25 LYS 0.035 0.015 14 0 "[ . 1 . 2]"
1 26 GLU 0.017 0.010 9 0 "[ . 1 . 2]"
1 27 TYR 0.116 0.018 7 0 "[ . 1 . 2]"
1 28 PHE 0.059 0.018 1 0 "[ . 1 . 2]"
1 29 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 THR 0.251 0.131 20 0 "[ . 1 . 2]"
1 31 SER 0.069 0.037 14 0 "[ . 1 . 2]"
1 32 GLY 0.058 0.037 14 0 "[ . 1 . 2]"
1 33 LYS 0.398 0.074 17 0 "[ . 1 . 2]"
1 34 CYS 0.098 0.029 5 0 "[ . 1 . 2]"
1 35 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 ASN 0.055 0.007 20 0 "[ . 1 . 2]"
1 37 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 39 VAL 0.664 0.046 17 0 "[ . 1 . 2]"
1 40 VAL 0.916 0.131 20 0 "[ . 1 . 2]"
1 41 PHE 0.049 0.018 7 0 "[ . 1 . 2]"
1 42 VAL 0.075 0.034 20 0 "[ . 1 . 2]"
1 43 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 44 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 45 LYS 0.006 0.004 17 0 "[ . 1 . 2]"
1 46 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 47 ARG 0.009 0.004 4 0 "[ . 1 . 2]"
1 48 GLN 0.034 0.034 20 0 "[ . 1 . 2]"
1 49 VAL 0.180 0.041 20 0 "[ . 1 . 2]"
1 50 CYS 0.199 0.041 20 0 "[ . 1 . 2]"
1 51 ALA 0.014 0.004 7 0 "[ . 1 . 2]"
1 52 ASN 0.001 0.001 19 0 "[ . 1 . 2]"
1 53 PRO 0.024 0.014 15 0 "[ . 1 . 2]"
1 54 GLU 0.015 0.004 15 0 "[ . 1 . 2]"
1 55 LYS 0.130 0.052 15 0 "[ . 1 . 2]"
1 56 LYS 0.163 0.087 19 0 "[ . 1 . 2]"
1 57 TRP 0.670 0.087 19 0 "[ . 1 . 2]"
1 58 VAL 0.026 0.014 15 0 "[ . 1 . 2]"
1 59 ARG 0.017 0.005 19 0 "[ . 1 . 2]"
1 60 GLU 0.374 0.020 5 0 "[ . 1 . 2]"
1 61 TYR 0.089 0.031 13 0 "[ . 1 . 2]"
1 62 ILE 0.078 0.017 14 0 "[ . 1 . 2]"
1 63 ASN 0.108 0.049 20 0 "[ . 1 . 2]"
1 64 SER 0.184 0.049 20 0 "[ . 1 . 2]"
1 65 LEU 0.098 0.013 13 0 "[ . 1 . 2]"
1 66 GLU 0.055 0.016 11 0 "[ . 1 . 2]"
1 67 MET 0.055 0.016 11 0 "[ . 1 . 2]"
1 68 SER 0.000 0.000 . 0 "[ . 1 . 2]"
2 1 SER 0.000 0.000 . 0 "[ . 1 . 2]"
2 2 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
2 3 TYR 0.052 0.052 11 0 "[ . 1 . 2]"
2 4 SER 0.126 0.062 10 0 "[ . 1 . 2]"
2 5 SER 0.074 0.062 10 0 "[ . 1 . 2]"
2 6 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
2 7 THR 0.022 0.022 16 0 "[ . 1 . 2]"
2 8 THR 0.217 0.061 18 0 "[ . 1 . 2]"
2 9 PRO 0.172 0.061 18 0 "[ . 1 . 2]"
2 10 CYS 0.022 0.019 16 0 "[ . 1 . 2]"
2 11 CYS 0.193 0.030 18 0 "[ . 1 . 2]"
2 12 PHE 0.056 0.008 20 0 "[ . 1 . 2]"
2 13 ALA 0.092 0.017 16 0 "[ . 1 . 2]"
2 14 TYR 0.007 0.003 16 0 "[ . 1 . 2]"
2 15 ILE 0.155 0.058 16 0 "[ . 1 . 2]"
2 16 ALA 0.037 0.009 9 0 "[ . 1 . 2]"
2 17 ARG 0.195 0.058 16 0 "[ . 1 . 2]"
2 18 PRO 0.018 0.007 15 0 "[ . 1 . 2]"
2 19 LEU 1.335 0.178 3 0 "[ . 1 . 2]"
2 20 PRO 0.010 0.008 18 0 "[ . 1 . 2]"
2 21 ARG 0.029 0.007 13 0 "[ . 1 . 2]"
2 22 ALA 0.034 0.008 19 0 "[ . 1 . 2]"
2 23 HIS 0.168 0.021 9 0 "[ . 1 . 2]"
2 24 ILE 0.959 0.178 3 0 "[ . 1 . 2]"
2 25 LYS 0.035 0.015 14 0 "[ . 1 . 2]"
2 26 GLU 0.018 0.011 9 0 "[ . 1 . 2]"
2 27 TYR 0.118 0.018 3 0 "[ . 1 . 2]"
2 28 PHE 0.061 0.018 3 0 "[ . 1 . 2]"
2 29 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
2 30 THR 0.251 0.131 20 0 "[ . 1 . 2]"
2 31 SER 0.069 0.036 14 0 "[ . 1 . 2]"
2 32 GLY 0.055 0.036 14 0 "[ . 1 . 2]"
2 33 LYS 0.403 0.075 17 0 "[ . 1 . 2]"
2 34 CYS 0.099 0.030 5 0 "[ . 1 . 2]"
2 35 SER 0.000 0.000 . 0 "[ . 1 . 2]"
2 36 ASN 0.056 0.008 20 0 "[ . 1 . 2]"
2 37 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
2 38 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
2 39 VAL 0.666 0.046 17 0 "[ . 1 . 2]"
2 40 VAL 0.917 0.131 20 0 "[ . 1 . 2]"
2 41 PHE 0.049 0.017 7 0 "[ . 1 . 2]"
2 42 VAL 0.076 0.034 20 0 "[ . 1 . 2]"
2 43 THR 0.000 0.000 . 0 "[ . 1 . 2]"
2 44 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
2 45 LYS 0.009 0.006 17 0 "[ . 1 . 2]"
2 46 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
2 47 ARG 0.010 0.004 4 0 "[ . 1 . 2]"
2 48 GLN 0.034 0.034 20 0 "[ . 1 . 2]"
2 49 VAL 0.180 0.041 8 0 "[ . 1 . 2]"
2 50 CYS 0.197 0.041 8 0 "[ . 1 . 2]"
2 51 ALA 0.012 0.003 7 0 "[ . 1 . 2]"
2 52 ASN 0.000 0.000 19 0 "[ . 1 . 2]"
2 53 PRO 0.021 0.014 15 0 "[ . 1 . 2]"
2 54 GLU 0.016 0.005 15 0 "[ . 1 . 2]"
2 55 LYS 0.135 0.051 15 0 "[ . 1 . 2]"
2 56 LYS 0.163 0.086 19 0 "[ . 1 . 2]"
2 57 TRP 0.684 0.086 19 0 "[ . 1 . 2]"
2 58 VAL 0.023 0.014 15 0 "[ . 1 . 2]"
2 59 ARG 0.015 0.005 19 0 "[ . 1 . 2]"
2 60 GLU 0.374 0.020 5 0 "[ . 1 . 2]"
2 61 TYR 0.090 0.031 13 0 "[ . 1 . 2]"
2 62 ILE 0.081 0.018 14 0 "[ . 1 . 2]"
2 63 ASN 0.103 0.049 20 0 "[ . 1 . 2]"
2 64 SER 0.183 0.049 20 0 "[ . 1 . 2]"
2 65 LEU 0.100 0.011 13 0 "[ . 1 . 2]"
2 66 GLU 0.058 0.015 11 0 "[ . 1 . 2]"
2 67 MET 0.058 0.015 11 0 "[ . 1 . 2]"
2 68 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 1 SER HA 1 2 PRO HD2 3.300 . 3.300 2.392 2.062 2.820 . 0 0 "[ . 1 . 2]" 5
2 2 1 SER HA 2 2 PRO HD2 3.300 . 3.300 2.392 2.062 2.820 . 0 0 "[ . 1 . 2]" 5
3 1 1 SER HA 1 2 PRO HD3 3.300 . 3.300 2.165 1.929 2.572 . 0 0 "[ . 1 . 2]" 5
4 2 1 SER HA 2 2 PRO HD3 3.300 . 3.300 2.165 1.930 2.572 . 0 0 "[ . 1 . 2]" 5
5 1 1 SER QB 1 2 PRO QD 2.700 . 4.700 2.774 1.901 3.755 . 0 0 "[ . 1 . 2]" 5
6 2 1 SER QB 2 2 PRO QD 2.700 . 4.700 2.774 1.901 3.755 . 0 0 "[ . 1 . 2]" 5
7 1 2 PRO HB3 1 3 TYR H 4.200 . 4.200 3.456 3.175 4.153 . 0 0 "[ . 1 . 2]" 5
8 2 2 PRO HB3 2 3 TYR H 4.200 . 4.200 3.455 3.175 4.153 . 0 0 "[ . 1 . 2]" 5
9 1 2 PRO HB2 1 3 TYR H 4.200 . 4.200 2.255 1.876 3.300 . 0 0 "[ . 1 . 2]" 5
10 2 2 PRO HB2 2 3 TYR H 4.200 . 4.200 2.255 1.876 3.300 . 0 0 "[ . 1 . 2]" 5
11 1 2 PRO QD 1 3 TYR H 4.200 . 5.200 3.793 2.268 4.672 . 0 0 "[ . 1 . 2]" 5
12 2 2 PRO QD 2 3 TYR H 4.200 . 5.200 3.793 2.268 4.672 . 0 0 "[ . 1 . 2]" 5
13 1 2 PRO HG3 1 3 TYR H 5.500 . 5.500 4.243 3.488 4.638 . 0 0 "[ . 1 . 2]" 5
14 2 2 PRO HG3 2 3 TYR H 5.500 . 5.500 4.243 3.488 4.638 . 0 0 "[ . 1 . 2]" 5
15 1 2 PRO HG2 1 3 TYR H 5.500 . 5.500 3.200 1.989 3.879 . 0 0 "[ . 1 . 2]" 5
16 2 2 PRO HG2 2 3 TYR H 5.500 . 5.500 3.200 1.990 3.879 . 0 0 "[ . 1 . 2]" 5
17 1 4 SER QB 1 5 SER QB 5.500 . 7.500 4.922 4.019 5.486 . 0 0 "[ . 1 . 2]" 5
18 2 4 SER QB 2 5 SER QB 5.500 . 7.500 4.922 4.018 5.486 . 0 0 "[ . 1 . 2]" 5
19 1 3 TYR H 1 4 SER H 4.200 . 4.200 3.596 2.714 4.251 0.051 11 0 "[ . 1 . 2]" 5
20 2 3 TYR H 2 4 SER H 4.200 . 4.200 3.596 2.714 4.252 0.052 11 0 "[ . 1 . 2]" 5
21 1 4 SER H 1 5 SER H 4.200 . 4.200 3.734 2.182 4.208 0.008 19 0 "[ . 1 . 2]" 5
22 2 4 SER H 2 5 SER H 4.200 . 4.200 3.734 2.183 4.209 0.009 19 0 "[ . 1 . 2]" 5
23 1 4 SER HA 1 5 SER H 3.300 . 3.300 2.507 2.191 3.361 0.061 10 0 "[ . 1 . 2]" 5
24 2 4 SER HA 2 5 SER H 3.300 . 3.300 2.507 2.190 3.362 0.062 10 0 "[ . 1 . 2]" 5
25 1 5 SER H 1 6 ASP H 4.200 . 4.200 3.321 2.100 4.102 . 0 0 "[ . 1 . 2]" 5
26 2 5 SER H 2 6 ASP H 4.200 . 4.200 3.321 2.101 4.102 . 0 0 "[ . 1 . 2]" 5
27 1 4 SER HA 1 6 ASP H 5.500 . 5.500 4.406 3.412 5.429 . 0 0 "[ . 1 . 2]" 5
28 2 4 SER HA 2 6 ASP H 5.500 . 5.500 4.406 3.413 5.429 . 0 0 "[ . 1 . 2]" 5
29 1 6 ASP H 1 6 ASP HB2 3.300 . 3.300 2.807 2.354 3.042 . 0 0 "[ . 1 . 2]" 5
30 2 6 ASP H 2 6 ASP HB2 3.300 . 3.300 2.807 2.354 3.042 . 0 0 "[ . 1 . 2]" 5
31 1 6 ASP HA 1 7 THR H 2.700 . 2.700 2.344 2.195 2.613 . 0 0 "[ . 1 . 2]" 5
32 2 6 ASP HA 2 7 THR H 2.700 . 2.700 2.344 2.195 2.613 . 0 0 "[ . 1 . 2]" 5
33 1 6 ASP HB3 1 7 THR H 4.200 . 4.200 2.854 2.192 3.433 . 0 0 "[ . 1 . 2]" 5
34 2 6 ASP HB3 2 7 THR H 4.200 . 4.200 2.854 2.193 3.433 . 0 0 "[ . 1 . 2]" 5
35 1 7 THR H 1 7 THR MG 4.200 . 4.700 2.171 1.832 2.697 . 0 0 "[ . 1 . 2]" 5
36 2 7 THR H 2 7 THR MG 4.200 . 4.700 2.171 1.831 2.696 . 0 0 "[ . 1 . 2]" 5
37 1 8 THR HA 1 9 PRO HD2 3.300 . 3.300 2.318 2.025 2.383 . 0 0 "[ . 1 . 2]" 5
38 2 8 THR HA 2 9 PRO HD2 3.300 . 3.300 2.318 2.025 2.381 . 0 0 "[ . 1 . 2]" 5
39 1 8 THR HA 1 9 PRO HD3 3.300 . 3.300 1.958 1.923 2.338 . 0 0 "[ . 1 . 2]" 5
40 2 8 THR HA 2 9 PRO HD3 3.300 . 3.300 1.958 1.923 2.337 . 0 0 "[ . 1 . 2]" 5
41 1 8 THR MG 1 33 LYS QD 4.200 . 5.700 3.866 3.687 4.009 . 0 0 "[ . 1 . 2]" 5
42 2 8 THR MG 2 33 LYS QD 4.200 . 5.700 3.866 3.688 4.009 . 0 0 "[ . 1 . 2]" 5
43 1 7 THR HA 1 8 THR H 2.700 . 2.700 2.392 2.191 2.722 0.022 16 0 "[ . 1 . 2]" 5
44 2 7 THR HA 2 8 THR H 2.700 . 2.700 2.392 2.192 2.722 0.022 16 0 "[ . 1 . 2]" 5
45 1 7 THR HB 1 8 THR H 4.200 . 4.200 2.772 1.882 3.972 . 0 0 "[ . 1 . 2]" 5
46 2 7 THR HB 2 8 THR H 4.200 . 4.200 2.772 1.883 3.972 . 0 0 "[ . 1 . 2]" 5
47 1 7 THR MG 1 8 THR H 5.500 . 6.000 3.787 3.370 4.079 . 0 0 "[ . 1 . 2]" 5
48 2 7 THR MG 2 8 THR H 5.500 . 6.000 3.787 3.370 4.079 . 0 0 "[ . 1 . 2]" 5
49 1 8 THR H 1 8 THR HB 3.300 . 3.300 2.545 2.378 2.932 . 0 0 "[ . 1 . 2]" 5
50 2 8 THR H 2 8 THR HB 3.300 . 3.300 2.545 2.378 2.932 . 0 0 "[ . 1 . 2]" 5
51 1 8 THR H 1 8 THR MG 4.200 . 4.700 3.805 3.738 3.983 . 0 0 "[ . 1 . 2]" 5
52 2 8 THR H 2 8 THR MG 4.200 . 4.700 3.805 3.737 3.983 . 0 0 "[ . 1 . 2]" 5
53 1 8 THR H 1 10 CYS H 5.500 . 5.500 5.045 4.680 5.518 0.018 16 0 "[ . 1 . 2]" 5
54 2 8 THR H 2 10 CYS H 5.500 . 5.500 5.045 4.680 5.519 0.019 16 0 "[ . 1 . 2]" 5
55 1 9 PRO HB2 1 40 VAL MG2 5.500 . 6.000 2.944 2.498 3.493 . 0 0 "[ . 1 . 2]" 5
56 2 9 PRO HB2 2 40 VAL MG2 5.500 . 6.000 2.944 2.498 3.493 . 0 0 "[ . 1 . 2]" 5
57 1 8 THR MG 1 9 PRO HD3 5.500 . 6.000 3.133 2.932 4.091 . 0 0 "[ . 1 . 2]" 5
58 2 8 THR MG 2 9 PRO HD3 5.500 . 6.000 3.133 2.933 4.090 . 0 0 "[ . 1 . 2]" 5
59 1 8 THR MG 1 9 PRO HD2 5.500 . 6.000 1.932 1.739 3.212 0.061 18 0 "[ . 1 . 2]" 5
60 2 8 THR MG 2 9 PRO HD2 5.500 . 6.000 1.932 1.739 3.212 0.061 18 0 "[ . 1 . 2]" 5
61 1 8 THR MG 1 10 CYS HA 5.500 . 6.000 3.635 3.423 4.224 . 0 0 "[ . 1 . 2]" 5
62 2 8 THR MG 2 10 CYS HA 5.500 . 6.000 3.635 3.424 4.223 . 0 0 "[ . 1 . 2]" 5
63 1 10 CYS HA 1 30 THR HB 4.200 . 4.200 2.819 1.895 3.306 . 0 0 "[ . 1 . 2]" 5
64 2 10 CYS HA 2 30 THR HB 4.200 . 4.200 2.819 1.895 3.305 . 0 0 "[ . 1 . 2]" 5
65 1 10 CYS HA 1 30 THR MG 4.200 . 4.700 3.690 2.722 3.845 . 0 0 "[ . 1 . 2]" 5
66 2 10 CYS HA 2 30 THR MG 4.200 . 4.700 3.690 2.722 3.845 . 0 0 "[ . 1 . 2]" 5
67 1 9 PRO HA 1 10 CYS H 3.300 . 3.300 2.428 2.255 2.549 . 0 0 "[ . 1 . 2]" 5
68 2 9 PRO HA 2 10 CYS H 3.300 . 3.300 2.429 2.257 2.548 . 0 0 "[ . 1 . 2]" 5
69 1 11 CYS HA 1 11 CYS HB3 2.700 . 2.700 2.659 2.567 2.729 0.029 18 0 "[ . 1 . 2]" 5
70 2 11 CYS HA 2 11 CYS HB3 2.700 . 2.700 2.659 2.567 2.730 0.030 18 0 "[ . 1 . 2]" 5
71 1 11 CYS HB3 1 38 ALA MB 5.500 . 6.000 2.797 2.153 3.422 . 0 0 "[ . 1 . 2]" 5
72 2 11 CYS HB3 2 38 ALA MB 5.500 . 6.000 2.797 2.153 3.422 . 0 0 "[ . 1 . 2]" 5
73 1 11 CYS HB2 1 38 ALA MB 4.200 . 4.700 2.312 1.890 2.875 . 0 0 "[ . 1 . 2]" 5
74 2 11 CYS HB2 2 38 ALA MB 4.200 . 4.700 2.312 1.890 2.876 . 0 0 "[ . 1 . 2]" 5
75 1 10 CYS HA 1 11 CYS H 3.300 . 3.300 2.215 2.185 2.477 . 0 0 "[ . 1 . 2]" 5
76 2 10 CYS HA 2 11 CYS H 3.300 . 3.300 2.215 2.184 2.479 . 0 0 "[ . 1 . 2]" 5
77 1 10 CYS HB3 1 11 CYS H 4.200 . 4.200 3.361 2.416 3.704 . 0 0 "[ . 1 . 2]" 5
78 2 10 CYS HB3 2 11 CYS H 4.200 . 4.200 3.361 2.416 3.704 . 0 0 "[ . 1 . 2]" 5
79 1 11 CYS H 1 30 THR MG 5.500 . 6.000 4.049 3.611 4.871 . 0 0 "[ . 1 . 2]" 5
80 2 11 CYS H 2 30 THR MG 5.500 . 6.000 4.049 3.611 4.871 . 0 0 "[ . 1 . 2]" 5
81 1 11 CYS H 1 38 ALA MB 5.500 . 6.000 3.425 2.642 3.830 . 0 0 "[ . 1 . 2]" 5
82 2 11 CYS H 2 38 ALA MB 5.500 . 6.000 3.425 2.642 3.831 . 0 0 "[ . 1 . 2]" 5
83 1 12 PHE HA 1 12 PHE HB3 2.700 . 2.700 2.344 2.328 2.398 . 0 0 "[ . 1 . 2]" 5
84 2 12 PHE HA 2 12 PHE HB3 2.700 . 2.700 2.344 2.328 2.398 . 0 0 "[ . 1 . 2]" 5
85 1 11 CYS HA 1 12 PHE H 2.700 . 2.700 2.337 2.185 2.488 . 0 0 "[ . 1 . 2]" 5
86 2 11 CYS HA 2 12 PHE H 2.700 . 2.700 2.337 2.185 2.488 . 0 0 "[ . 1 . 2]" 5
87 1 12 PHE H 1 13 ALA MB 5.500 . 6.000 3.705 3.608 3.791 . 0 0 "[ . 1 . 2]" 5
88 2 12 PHE H 2 13 ALA MB 5.500 . 6.000 3.705 3.608 3.792 . 0 0 "[ . 1 . 2]" 5
89 1 12 PHE H 1 13 ALA H 3.300 . 3.300 1.887 1.848 2.080 . 0 0 "[ . 1 . 2]" 5
90 2 12 PHE H 2 13 ALA H 3.300 . 3.300 1.887 1.848 2.080 . 0 0 "[ . 1 . 2]" 5
91 1 11 CYS HA 1 13 ALA H 4.200 . 4.200 3.961 3.562 4.199 . 0 0 "[ . 1 . 2]" 5
92 2 11 CYS HA 2 13 ALA H 4.200 . 4.200 3.961 3.561 4.200 0.000 20 0 "[ . 1 . 2]" 5
93 1 11 CYS HB3 1 13 ALA H 4.200 . 4.200 3.945 3.766 4.090 . 0 0 "[ . 1 . 2]" 5
94 2 11 CYS HB3 2 13 ALA H 4.200 . 4.200 3.945 3.765 4.091 . 0 0 "[ . 1 . 2]" 5
95 1 11 CYS HB2 1 13 ALA H 5.500 . 5.500 5.483 5.310 5.517 0.017 16 0 "[ . 1 . 2]" 5
96 2 11 CYS HB2 2 13 ALA H 5.500 . 5.500 5.483 5.309 5.517 0.017 16 0 "[ . 1 . 2]" 5
97 1 13 ALA MB 1 14 TYR HA 5.500 . 6.000 3.936 3.823 4.161 . 0 0 "[ . 1 . 2]" 5
98 2 13 ALA MB 2 14 TYR HA 5.500 . 6.000 3.936 3.824 4.162 . 0 0 "[ . 1 . 2]" 5
99 1 14 TYR HA 1 50 CYS HB2 4.200 . 4.200 3.365 2.900 3.819 . 0 0 "[ . 1 . 2]" 5
100 2 14 TYR HA 2 50 CYS HB2 4.200 . 4.200 3.365 2.901 3.819 . 0 0 "[ . 1 . 2]" 5
101 1 13 ALA HA 1 14 TYR H 2.700 . 2.700 2.424 2.228 2.573 . 0 0 "[ . 1 . 2]" 5
102 2 13 ALA HA 2 14 TYR H 2.700 . 2.700 2.423 2.227 2.572 . 0 0 "[ . 1 . 2]" 5
103 1 14 TYR H 1 14 TYR HB2 3.300 . 3.300 2.733 2.569 2.867 . 0 0 "[ . 1 . 2]" 5
104 2 14 TYR H 2 14 TYR HB2 3.300 . 3.300 2.733 2.568 2.866 . 0 0 "[ . 1 . 2]" 5
105 1 15 ILE HA 1 15 ILE MD 4.200 . 4.700 3.284 1.847 3.777 . 0 0 "[ . 1 . 2]" 5
106 2 15 ILE HA 2 15 ILE MD 4.200 . 4.700 3.284 1.846 3.778 . 0 0 "[ . 1 . 2]" 5
107 1 15 ILE HA 1 16 ALA MB 5.500 . 6.000 3.999 3.958 4.056 . 0 0 "[ . 1 . 2]" 5
108 2 15 ILE HA 2 16 ALA MB 5.500 . 6.000 3.999 3.959 4.057 . 0 0 "[ . 1 . 2]" 5
109 1 14 TYR HA 1 15 ILE H 2.700 . 2.700 2.216 2.190 2.274 . 0 0 "[ . 1 . 2]" 5
110 2 14 TYR HA 2 15 ILE H 2.700 . 2.700 2.217 2.191 2.274 . 0 0 "[ . 1 . 2]" 5
111 1 15 ILE H 1 15 ILE HB 3.300 . 3.300 2.531 2.413 2.776 . 0 0 "[ . 1 . 2]" 5
112 2 15 ILE H 2 15 ILE HB 3.300 . 3.300 2.531 2.413 2.776 . 0 0 "[ . 1 . 2]" 5
113 1 15 ILE H 1 15 ILE MD 5.500 . 6.000 4.223 3.983 4.401 . 0 0 "[ . 1 . 2]" 5
114 2 15 ILE H 2 15 ILE MD 5.500 . 6.000 4.223 3.982 4.401 . 0 0 "[ . 1 . 2]" 5
115 1 15 ILE H 1 15 ILE HG13 5.500 . 5.500 4.453 4.351 4.675 . 0 0 "[ . 1 . 2]" 5
116 2 15 ILE H 2 15 ILE HG13 5.500 . 5.500 4.453 4.350 4.675 . 0 0 "[ . 1 . 2]" 5
117 1 15 ILE H 1 15 ILE HG12 5.500 . 5.500 4.556 4.351 4.719 . 0 0 "[ . 1 . 2]" 5
118 2 15 ILE H 2 15 ILE HG12 5.500 . 5.500 4.556 4.351 4.718 . 0 0 "[ . 1 . 2]" 5
119 1 15 ILE H 1 15 ILE MG 4.200 . 4.700 2.177 2.020 2.356 . 0 0 "[ . 1 . 2]" 5
120 2 15 ILE H 2 15 ILE MG 4.200 . 4.700 2.176 2.019 2.356 . 0 0 "[ . 1 . 2]" 5
121 1 15 ILE HA 1 16 ALA H 3.300 . 3.300 2.272 2.193 2.398 . 0 0 "[ . 1 . 2]" 5
122 2 15 ILE HA 2 16 ALA H 3.300 . 3.300 2.272 2.193 2.397 . 0 0 "[ . 1 . 2]" 5
123 1 15 ILE MD 1 16 ALA H 5.500 . 6.000 3.689 2.071 4.554 . 0 0 "[ . 1 . 2]" 5
124 2 15 ILE MD 2 16 ALA H 5.500 . 6.000 3.689 2.070 4.554 . 0 0 "[ . 1 . 2]" 5
125 1 15 ILE HG12 1 16 ALA H 4.200 . 4.200 3.024 2.207 4.107 . 0 0 "[ . 1 . 2]" 5
126 2 15 ILE HG12 2 16 ALA H 4.200 . 4.200 3.024 2.206 4.107 . 0 0 "[ . 1 . 2]" 5
127 1 15 ILE HG13 1 16 ALA H 4.200 . 4.200 2.670 1.874 4.203 0.003 9 0 "[ . 1 . 2]" 5
128 2 15 ILE HG13 2 16 ALA H 4.200 . 4.200 2.670 1.874 4.203 0.003 9 0 "[ . 1 . 2]" 5
129 1 15 ILE MG 1 16 ALA H 4.200 . 4.700 3.627 3.337 3.865 . 0 0 "[ . 1 . 2]" 5
130 2 15 ILE MG 2 16 ALA H 4.200 . 4.700 3.627 3.338 3.864 . 0 0 "[ . 1 . 2]" 5
131 1 16 ALA H 1 17 ARG H 3.300 . 3.300 2.386 2.082 2.637 . 0 0 "[ . 1 . 2]" 5
132 2 16 ALA H 2 17 ARG H 3.300 . 3.300 2.386 2.082 2.635 . 0 0 "[ . 1 . 2]" 5
133 1 16 ALA H 1 57 TRP HZ2 5.500 . 5.500 5.484 5.381 5.508 0.008 9 0 "[ . 1 . 2]" 5
134 2 16 ALA H 2 57 TRP HZ2 5.500 . 5.500 5.484 5.381 5.509 0.009 9 0 "[ . 1 . 2]" 5
135 1 17 ARG HA 1 18 PRO HD2 2.700 . 2.700 2.442 2.425 2.471 . 0 0 "[ . 1 . 2]" 5
136 2 17 ARG HA 2 18 PRO HD2 2.700 . 2.700 2.442 2.424 2.472 . 0 0 "[ . 1 . 2]" 5
137 1 17 ARG HA 1 18 PRO HD3 2.700 . 2.700 1.922 1.916 1.937 . 0 0 "[ . 1 . 2]" 5
138 2 17 ARG HA 2 18 PRO HD3 2.700 . 2.700 1.922 1.915 1.939 . 0 0 "[ . 1 . 2]" 5
139 1 17 ARG HA 1 17 ARG HE 5.500 . 5.500 4.700 2.693 5.444 . 0 0 "[ . 1 . 2]" 5
140 2 17 ARG HA 2 17 ARG HE 5.500 . 5.500 4.700 2.694 5.445 . 0 0 "[ . 1 . 2]" 5
141 1 15 ILE HA 1 17 ARG H 5.500 . 5.500 4.155 3.795 4.543 . 0 0 "[ . 1 . 2]" 5
142 2 15 ILE HA 2 17 ARG H 5.500 . 5.500 4.155 3.797 4.542 . 0 0 "[ . 1 . 2]" 5
143 1 15 ILE HB 1 17 ARG H 5.500 . 5.500 5.050 4.541 5.521 0.021 16 0 "[ . 1 . 2]" 5
144 2 15 ILE HB 2 17 ARG H 5.500 . 5.500 5.050 4.540 5.519 0.019 9 0 "[ . 1 . 2]" 5
145 1 15 ILE MD 1 17 ARG H 5.500 . 6.000 3.401 1.743 3.944 0.057 9 0 "[ . 1 . 2]" 5
146 2 15 ILE MD 2 17 ARG H 5.500 . 6.000 3.401 1.742 3.944 0.058 16 0 "[ . 1 . 2]" 5
147 1 15 ILE QG 1 17 ARG H 4.200 . 5.200 2.312 1.807 3.754 . 0 0 "[ . 1 . 2]" 5
148 2 15 ILE QG 2 17 ARG H 4.200 . 5.200 2.312 1.806 3.753 . 0 0 "[ . 1 . 2]" 5
149 1 15 ILE MG 1 17 ARG H 4.200 . 4.700 3.600 3.287 3.815 . 0 0 "[ . 1 . 2]" 5
150 2 15 ILE MG 2 17 ARG H 4.200 . 4.700 3.600 3.287 3.815 . 0 0 "[ . 1 . 2]" 5
151 1 17 ARG H 1 18 PRO QD 5.500 . 6.500 4.302 4.282 4.310 . 0 0 "[ . 1 . 2]" 5
152 2 17 ARG H 2 18 PRO QD 5.500 . 6.500 4.302 4.282 4.310 . 0 0 "[ . 1 . 2]" 5
153 1 18 PRO QG 1 19 LEU QD 5.500 . 8.000 4.742 4.644 4.842 . 0 0 "[ . 1 . 2]" 5
154 2 18 PRO QG 2 19 LEU QD 5.500 . 8.000 4.742 4.644 4.841 . 0 0 "[ . 1 . 2]" 5
155 1 19 LEU HA 1 20 PRO HD2 3.300 . 3.300 2.710 2.611 2.864 . 0 0 "[ . 1 . 2]" 5
156 2 19 LEU HA 2 20 PRO HD2 3.300 . 3.300 2.710 2.611 2.865 . 0 0 "[ . 1 . 2]" 5
157 1 19 LEU HA 1 20 PRO HD3 3.300 . 3.300 2.054 1.984 2.148 . 0 0 "[ . 1 . 2]" 5
158 2 19 LEU HA 2 20 PRO HD3 3.300 . 3.300 2.054 1.984 2.148 . 0 0 "[ . 1 . 2]" 5
159 1 19 LEU MD1 1 24 ILE MD 4.200 . 5.200 2.445 1.622 3.261 0.178 3 0 "[ . 1 . 2]" 5
160 2 19 LEU MD1 2 24 ILE MD 4.200 . 5.200 2.445 1.622 3.262 0.178 3 0 "[ . 1 . 2]" 5
161 1 19 LEU MD2 1 24 ILE MD 4.200 . 5.200 3.195 2.875 3.546 . 0 0 "[ . 1 . 2]" 5
162 2 19 LEU MD2 2 24 ILE MD 4.200 . 5.200 3.195 2.874 3.546 . 0 0 "[ . 1 . 2]" 5
163 1 19 LEU HG 1 24 ILE MD 5.500 . 6.000 3.935 2.074 4.861 . 0 0 "[ . 1 . 2]" 5
164 2 19 LEU HG 2 24 ILE MD 5.500 . 6.000 3.934 2.073 4.862 . 0 0 "[ . 1 . 2]" 5
165 1 18 PRO HA 1 19 LEU H 2.700 . 2.700 2.503 2.393 2.587 . 0 0 "[ . 1 . 2]" 5
166 2 18 PRO HA 2 19 LEU H 2.700 . 2.700 2.504 2.392 2.587 . 0 0 "[ . 1 . 2]" 5
167 1 19 LEU H 1 19 LEU MD2 5.500 . 6.000 3.356 1.849 4.036 . 0 0 "[ . 1 . 2]" 5
168 2 19 LEU H 2 19 LEU MD2 5.500 . 6.000 3.356 1.850 4.035 . 0 0 "[ . 1 . 2]" 5
169 1 19 LEU H 1 19 LEU MD1 5.500 . 6.000 2.335 1.769 3.649 0.031 13 0 "[ . 1 . 2]" 5
170 2 19 LEU H 2 19 LEU MD1 5.500 . 6.000 2.335 1.768 3.649 0.032 13 0 "[ . 1 . 2]" 5
171 1 19 LEU H 1 19 LEU HG 4.200 . 4.200 2.768 1.863 3.413 . 0 0 "[ . 1 . 2]" 5
172 2 19 LEU H 2 19 LEU HG 4.200 . 4.200 2.768 1.864 3.412 . 0 0 "[ . 1 . 2]" 5
173 1 20 PRO HA 1 20 PRO HB3 2.700 . 2.700 2.306 2.304 2.308 . 0 0 "[ . 1 . 2]" 5
174 2 20 PRO HA 2 20 PRO HB3 2.700 . 2.700 2.306 2.305 2.308 . 0 0 "[ . 1 . 2]" 5
175 1 19 LEU QD 1 20 PRO QD 5.500 . 6.000 3.273 3.173 3.327 . 0 0 "[ . 1 . 2]" 5
176 2 19 LEU QD 2 20 PRO QD 5.500 . 6.000 3.273 3.173 3.327 . 0 0 "[ . 1 . 2]" 5
177 1 21 ARG HA 1 24 ILE MD 4.200 . 4.700 2.278 1.817 2.844 . 0 0 "[ . 1 . 2]" 5
178 2 21 ARG HA 2 24 ILE MD 4.200 . 4.700 2.278 1.817 2.843 . 0 0 "[ . 1 . 2]" 5
179 1 21 ARG HA 1 24 ILE QG 5.500 . 6.500 2.584 2.170 2.967 . 0 0 "[ . 1 . 2]" 5
180 2 21 ARG HA 2 24 ILE QG 5.500 . 6.500 2.584 2.171 2.968 . 0 0 "[ . 1 . 2]" 5
181 1 21 ARG HE 1 61 TYR HA 5.500 . 5.500 4.617 3.437 5.504 0.004 2 0 "[ . 1 . 2]" 5
182 2 21 ARG HE 2 61 TYR HA 5.500 . 5.500 4.617 3.437 5.504 0.004 2 0 "[ . 1 . 2]" 5
183 1 21 ARG HE 1 64 SER QB 5.500 . 6.500 3.565 2.536 4.812 . 0 0 "[ . 1 . 2]" 5
184 2 21 ARG HE 2 64 SER QB 5.500 . 6.500 3.565 2.535 4.811 . 0 0 "[ . 1 . 2]" 5
185 1 20 PRO HA 1 21 ARG H 2.700 . 2.700 2.239 2.213 2.305 . 0 0 "[ . 1 . 2]" 5
186 2 20 PRO HA 2 21 ARG H 2.700 . 2.700 2.239 2.212 2.305 . 0 0 "[ . 1 . 2]" 5
187 1 20 PRO QD 1 21 ARG H 5.500 . 6.500 4.850 4.651 4.973 . 0 0 "[ . 1 . 2]" 5
188 2 20 PRO QD 2 21 ARG H 5.500 . 6.500 4.850 4.651 4.972 . 0 0 "[ . 1 . 2]" 5
189 1 21 ARG H 1 21 ARG HD3 5.500 . 5.500 4.538 2.253 5.446 . 0 0 "[ . 1 . 2]" 5
190 2 21 ARG H 2 21 ARG HD3 5.500 . 5.500 4.538 2.253 5.447 . 0 0 "[ . 1 . 2]" 5
191 1 21 ARG H 1 21 ARG HD2 5.500 . 5.500 4.433 2.603 5.268 . 0 0 "[ . 1 . 2]" 5
192 2 21 ARG H 2 21 ARG HD2 5.500 . 5.500 4.433 2.603 5.267 . 0 0 "[ . 1 . 2]" 5
193 1 21 ARG H 1 23 HIS H 5.500 . 5.500 4.359 4.065 4.571 . 0 0 "[ . 1 . 2]" 5
194 2 21 ARG H 2 23 HIS H 5.500 . 5.500 4.359 4.066 4.571 . 0 0 "[ . 1 . 2]" 5
195 1 21 ARG H 1 24 ILE MD 5.500 . 6.000 3.903 3.402 4.450 . 0 0 "[ . 1 . 2]" 5
196 2 21 ARG H 2 24 ILE MD 5.500 . 6.000 3.903 3.403 4.450 . 0 0 "[ . 1 . 2]" 5
197 1 21 ARG HD3 1 22 ALA H 5.500 . 5.500 5.024 4.034 5.506 0.006 13 0 "[ . 1 . 2]" 5
198 2 21 ARG HD3 2 22 ALA H 5.500 . 5.500 5.024 4.034 5.507 0.007 13 0 "[ . 1 . 2]" 5
199 1 21 ARG HD2 1 22 ALA H 5.500 . 5.500 5.035 4.544 5.505 0.005 6 0 "[ . 1 . 2]" 5
200 2 21 ARG HD2 2 22 ALA H 5.500 . 5.500 5.035 4.545 5.505 0.005 10 0 "[ . 1 . 2]" 5
201 1 22 ALA H 1 23 HIS HD2 5.500 . 5.500 3.746 3.248 4.599 . 0 0 "[ . 1 . 2]" 5
202 2 22 ALA H 2 23 HIS HD2 5.500 . 5.500 3.746 3.249 4.599 . 0 0 "[ . 1 . 2]" 5
203 1 22 ALA H 1 23 HIS H 4.200 . 4.200 2.617 2.468 2.850 . 0 0 "[ . 1 . 2]" 5
204 2 22 ALA H 2 23 HIS H 4.200 . 4.200 2.617 2.466 2.850 . 0 0 "[ . 1 . 2]" 5
205 1 22 ALA H 1 24 ILE H 5.500 . 5.500 4.176 3.781 4.812 . 0 0 "[ . 1 . 2]" 5
206 2 22 ALA H 2 24 ILE H 5.500 . 5.500 4.176 3.782 4.811 . 0 0 "[ . 1 . 2]" 5
207 1 20 PRO HB2 1 23 HIS HA 5.500 . 5.500 5.216 4.782 5.507 0.007 18 0 "[ . 1 . 2]" 5
208 2 20 PRO HB2 2 23 HIS HA 5.500 . 5.500 5.216 4.781 5.508 0.008 18 0 "[ . 1 . 2]" 5
209 1 20 PRO HB3 1 23 HIS HD2 5.500 . 5.500 4.669 4.122 5.376 . 0 0 "[ . 1 . 2]" 5
210 2 20 PRO HB3 2 23 HIS HD2 5.500 . 5.500 4.669 4.122 5.376 . 0 0 "[ . 1 . 2]" 5
211 1 20 PRO HB2 1 23 HIS HD2 4.200 . 4.200 3.188 2.671 3.935 . 0 0 "[ . 1 . 2]" 5
212 2 20 PRO HB2 2 23 HIS HD2 4.200 . 4.200 3.188 2.672 3.935 . 0 0 "[ . 1 . 2]" 5
213 1 20 PRO QD 1 23 HIS HD2 5.500 . 6.500 5.749 5.130 5.825 . 0 0 "[ . 1 . 2]" 5
214 2 20 PRO QD 2 23 HIS HD2 5.500 . 6.500 5.749 5.131 5.825 . 0 0 "[ . 1 . 2]" 5
215 1 20 PRO QG 1 23 HIS HD2 5.500 . 6.500 3.907 3.225 4.128 . 0 0 "[ . 1 . 2]" 5
216 2 20 PRO QG 2 23 HIS HD2 5.500 . 6.500 3.907 3.225 4.128 . 0 0 "[ . 1 . 2]" 5
217 1 22 ALA MB 1 23 HIS HD2 4.200 . 4.700 2.061 1.828 2.687 . 0 0 "[ . 1 . 2]" 5
218 2 22 ALA MB 2 23 HIS HD2 4.200 . 4.700 2.061 1.828 2.688 . 0 0 "[ . 1 . 2]" 5
219 1 23 HIS HA 1 23 HIS HD2 3.300 . 3.300 3.307 3.289 3.321 0.021 9 0 "[ . 1 . 2]" 5
220 2 23 HIS HA 2 23 HIS HD2 3.300 . 3.300 3.307 3.288 3.321 0.021 9 0 "[ . 1 . 2]" 5
221 1 20 PRO QG 1 23 HIS HE1 5.500 . 6.500 5.436 4.394 5.807 . 0 0 "[ . 1 . 2]" 5
222 2 20 PRO QG 2 23 HIS HE1 5.500 . 6.500 5.436 4.394 5.807 . 0 0 "[ . 1 . 2]" 5
223 1 20 PRO HB3 1 23 HIS H 5.500 . 5.500 4.752 4.036 5.502 0.002 9 0 "[ . 1 . 2]" 5
224 2 20 PRO HB3 2 23 HIS H 5.500 . 5.500 4.752 4.035 5.502 0.002 9 0 "[ . 1 . 2]" 5
225 1 21 ARG HA 1 23 HIS H 5.500 . 5.500 3.637 3.308 4.377 . 0 0 "[ . 1 . 2]" 5
226 2 21 ARG HA 2 23 HIS H 5.500 . 5.500 3.637 3.308 4.376 . 0 0 "[ . 1 . 2]" 5
227 1 21 ARG QG 1 23 HIS H 5.500 . 6.500 4.957 4.314 5.457 . 0 0 "[ . 1 . 2]" 5
228 2 21 ARG QG 2 23 HIS H 5.500 . 6.500 4.957 4.315 5.457 . 0 0 "[ . 1 . 2]" 5
229 1 23 HIS H 1 23 HIS HB2 3.300 . 3.300 2.627 2.489 2.787 . 0 0 "[ . 1 . 2]" 5
230 2 23 HIS H 2 23 HIS HB2 3.300 . 3.300 2.627 2.489 2.786 . 0 0 "[ . 1 . 2]" 5
231 1 23 HIS H 1 23 HIS HD2 4.200 . 4.200 2.933 1.984 4.192 . 0 0 "[ . 1 . 2]" 5
232 2 23 HIS H 2 23 HIS HD2 4.200 . 4.200 2.933 1.986 4.192 . 0 0 "[ . 1 . 2]" 5
233 1 23 HIS H 1 24 ILE HB 5.500 . 5.500 4.149 3.770 4.559 . 0 0 "[ . 1 . 2]" 5
234 2 23 HIS H 2 24 ILE HB 5.500 . 5.500 4.149 3.770 4.558 . 0 0 "[ . 1 . 2]" 5
235 1 23 HIS H 1 24 ILE H 3.300 . 3.300 2.245 1.870 2.847 . 0 0 "[ . 1 . 2]" 5
236 2 23 HIS H 2 24 ILE H 3.300 . 3.300 2.246 1.870 2.847 . 0 0 "[ . 1 . 2]" 5
237 1 24 ILE HA 1 24 ILE MD 4.200 . 4.700 3.728 3.673 3.802 . 0 0 "[ . 1 . 2]" 5
238 2 24 ILE HA 2 24 ILE MD 4.200 . 4.700 3.728 3.674 3.802 . 0 0 "[ . 1 . 2]" 5
239 1 24 ILE HA 1 43 THR MG 5.500 . 6.000 2.597 2.072 2.910 . 0 0 "[ . 1 . 2]" 5
240 2 24 ILE HA 2 43 THR MG 5.500 . 6.000 2.597 2.073 2.909 . 0 0 "[ . 1 . 2]" 5
241 1 24 ILE HB 1 65 LEU QD 5.500 . 7.000 3.885 3.617 4.287 . 0 0 "[ . 1 . 2]" 5
242 2 24 ILE HB 2 65 LEU QD 5.500 . 7.000 3.886 3.616 4.288 . 0 0 "[ . 1 . 2]" 5
243 1 24 ILE MG 1 65 LEU QD 5.500 . 7.500 2.640 2.298 3.022 . 0 0 "[ . 1 . 2]" 5
244 2 24 ILE MG 2 65 LEU QD 5.500 . 7.500 2.640 2.298 3.023 . 0 0 "[ . 1 . 2]" 5
245 1 21 ARG HA 1 24 ILE H 5.500 . 5.500 3.415 2.909 4.267 . 0 0 "[ . 1 . 2]" 5
246 2 21 ARG HA 2 24 ILE H 5.500 . 5.500 3.415 2.910 4.268 . 0 0 "[ . 1 . 2]" 5
247 1 22 ALA HA 1 24 ILE H 4.200 . 4.200 3.986 3.701 4.208 0.008 19 0 "[ . 1 . 2]" 5
248 2 22 ALA HA 2 24 ILE H 4.200 . 4.200 3.986 3.701 4.208 0.008 19 0 "[ . 1 . 2]" 5
249 1 24 ILE H 1 24 ILE HB 2.700 . 2.700 2.474 2.358 2.682 . 0 0 "[ . 1 . 2]" 5
250 2 24 ILE H 2 24 ILE HB 2.700 . 2.700 2.474 2.357 2.682 . 0 0 "[ . 1 . 2]" 5
251 1 24 ILE H 1 24 ILE MD 5.500 . 6.000 3.972 3.693 4.299 . 0 0 "[ . 1 . 2]" 5
252 2 24 ILE H 2 24 ILE MD 5.500 . 6.000 3.972 3.694 4.299 . 0 0 "[ . 1 . 2]" 5
253 1 24 ILE H 1 24 ILE HG13 4.200 . 4.200 2.752 2.416 3.125 . 0 0 "[ . 1 . 2]" 5
254 2 24 ILE H 2 24 ILE HG13 4.200 . 4.200 2.752 2.417 3.126 . 0 0 "[ . 1 . 2]" 5
255 1 24 ILE H 1 24 ILE HG12 4.200 . 4.200 3.790 3.370 4.040 . 0 0 "[ . 1 . 2]" 5
256 2 24 ILE H 2 24 ILE HG12 4.200 . 4.200 3.790 3.372 4.041 . 0 0 "[ . 1 . 2]" 5
257 1 24 ILE H 1 43 THR HA 5.500 . 5.500 4.503 4.078 4.895 . 0 0 "[ . 1 . 2]" 5
258 2 24 ILE H 2 43 THR HA 5.500 . 5.500 4.503 4.078 4.896 . 0 0 "[ . 1 . 2]" 5
259 1 24 ILE HA 1 25 LYS H 2.700 . 2.700 2.329 2.210 2.452 . 0 0 "[ . 1 . 2]" 5
260 2 24 ILE HA 2 25 LYS H 2.700 . 2.700 2.329 2.209 2.452 . 0 0 "[ . 1 . 2]" 5
261 1 24 ILE HG12 1 25 LYS H 5.500 . 5.500 4.660 4.078 4.835 . 0 0 "[ . 1 . 2]" 5
262 2 24 ILE HG12 2 25 LYS H 5.500 . 5.500 4.661 4.077 4.834 . 0 0 "[ . 1 . 2]" 5
263 1 24 ILE HG13 1 25 LYS H 5.500 . 5.500 5.166 4.985 5.323 . 0 0 "[ . 1 . 2]" 5
264 2 24 ILE HG13 2 25 LYS H 5.500 . 5.500 5.167 4.984 5.323 . 0 0 "[ . 1 . 2]" 5
265 1 24 ILE MG 1 25 LYS H 4.200 . 4.700 3.379 2.308 3.733 . 0 0 "[ . 1 . 2]" 5
266 2 24 ILE MG 2 25 LYS H 4.200 . 4.700 3.379 2.307 3.733 . 0 0 "[ . 1 . 2]" 5
267 1 25 LYS H 1 26 GLU HA 5.500 . 5.500 5.210 4.580 5.341 . 0 0 "[ . 1 . 2]" 5
268 2 25 LYS H 2 26 GLU HA 5.500 . 5.500 5.210 4.577 5.340 . 0 0 "[ . 1 . 2]" 5
269 1 25 LYS H 1 26 GLU H 3.300 . 3.300 2.979 2.060 3.182 . 0 0 "[ . 1 . 2]" 5
270 2 25 LYS H 2 26 GLU H 3.300 . 3.300 2.979 2.058 3.182 . 0 0 "[ . 1 . 2]" 5
271 1 25 LYS H 1 42 VAL HB 5.500 . 5.500 4.895 4.408 5.251 . 0 0 "[ . 1 . 2]" 5
272 2 25 LYS H 2 42 VAL HB 5.500 . 5.500 4.895 4.409 5.249 . 0 0 "[ . 1 . 2]" 5
273 1 25 LYS H 1 42 VAL MG1 5.500 . 6.000 4.677 4.389 4.897 . 0 0 "[ . 1 . 2]" 5
274 2 25 LYS H 2 42 VAL MG1 5.500 . 6.000 4.677 4.388 4.897 . 0 0 "[ . 1 . 2]" 5
275 1 25 LYS H 1 42 VAL H 5.500 . 5.500 5.181 4.376 5.515 0.015 14 0 "[ . 1 . 2]" 5
276 2 25 LYS H 2 42 VAL H 5.500 . 5.500 5.181 4.377 5.515 0.015 14 0 "[ . 1 . 2]" 5
277 1 25 LYS H 1 43 THR HA 4.200 . 4.200 1.910 1.859 2.316 . 0 0 "[ . 1 . 2]" 5
278 2 25 LYS H 2 43 THR HA 4.200 . 4.200 1.911 1.860 2.318 . 0 0 "[ . 1 . 2]" 5
279 1 25 LYS H 1 43 THR HB 5.500 . 5.500 4.034 3.853 4.789 . 0 0 "[ . 1 . 2]" 5
280 2 25 LYS H 2 43 THR HB 5.500 . 5.500 4.034 3.855 4.791 . 0 0 "[ . 1 . 2]" 5
281 1 25 LYS H 1 43 THR MG 5.500 . 6.000 3.753 3.412 4.028 . 0 0 "[ . 1 . 2]" 5
282 2 25 LYS H 2 43 THR MG 5.500 . 6.000 3.753 3.412 4.029 . 0 0 "[ . 1 . 2]" 5
283 1 25 LYS H 1 44 ARG H 5.500 . 5.500 3.349 2.772 4.405 . 0 0 "[ . 1 . 2]" 5
284 2 25 LYS H 2 44 ARG H 5.500 . 5.500 3.349 2.771 4.405 . 0 0 "[ . 1 . 2]" 5
285 1 24 ILE MG 1 26 GLU HA 4.200 . 4.700 3.375 3.159 3.778 . 0 0 "[ . 1 . 2]" 5
286 2 24 ILE MG 2 26 GLU HA 4.200 . 4.700 3.375 3.159 3.777 . 0 0 "[ . 1 . 2]" 5
287 1 26 GLU HA 1 42 VAL HB 5.500 . 5.500 5.069 4.752 5.408 . 0 0 "[ . 1 . 2]" 5
288 2 26 GLU HA 2 42 VAL HB 5.500 . 5.500 5.069 4.752 5.408 . 0 0 "[ . 1 . 2]" 5
289 1 26 GLU HA 1 65 LEU MD2 4.200 . 4.700 3.102 2.196 3.780 . 0 0 "[ . 1 . 2]" 5
290 2 26 GLU HA 2 65 LEU MD2 4.200 . 4.700 3.102 2.196 3.780 . 0 0 "[ . 1 . 2]" 5
291 1 26 GLU HA 1 65 LEU MD1 4.200 . 4.700 2.965 2.404 3.564 . 0 0 "[ . 1 . 2]" 5
292 2 26 GLU HA 2 65 LEU MD1 4.200 . 4.700 2.965 2.405 3.565 . 0 0 "[ . 1 . 2]" 5
293 1 24 ILE HA 1 26 GLU H 5.500 . 5.500 4.213 3.754 4.419 . 0 0 "[ . 1 . 2]" 5
294 2 24 ILE HA 2 26 GLU H 5.500 . 5.500 4.213 3.754 4.420 . 0 0 "[ . 1 . 2]" 5
295 1 24 ILE MG 1 26 GLU H 4.200 . 4.700 3.302 2.806 3.775 . 0 0 "[ . 1 . 2]" 5
296 2 24 ILE MG 2 26 GLU H 4.200 . 4.700 3.302 2.806 3.776 . 0 0 "[ . 1 . 2]" 5
297 1 26 GLU H 1 41 PHE HA 5.500 . 5.500 5.316 4.947 5.500 0.000 17 0 "[ . 1 . 2]" 5
298 2 26 GLU H 2 41 PHE HA 5.500 . 5.500 5.316 4.947 5.501 0.001 17 0 "[ . 1 . 2]" 5
299 1 26 GLU H 1 42 VAL HA 5.500 . 5.500 5.004 4.862 5.168 . 0 0 "[ . 1 . 2]" 5
300 2 26 GLU H 2 42 VAL HA 5.500 . 5.500 5.004 4.862 5.169 . 0 0 "[ . 1 . 2]" 5
301 1 26 GLU H 1 42 VAL HB 3.300 . 3.300 2.939 2.582 3.306 0.006 7 0 "[ . 1 . 2]" 5
302 2 26 GLU H 2 42 VAL HB 3.300 . 3.300 2.939 2.582 3.307 0.007 7 0 "[ . 1 . 2]" 5
303 1 26 GLU H 1 43 THR HA 5.500 . 5.500 4.069 3.903 4.188 . 0 0 "[ . 1 . 2]" 5
304 2 26 GLU H 2 43 THR HA 5.500 . 5.500 4.069 3.904 4.187 . 0 0 "[ . 1 . 2]" 5
305 1 26 GLU H 1 65 LEU QD 5.500 . 7.000 4.614 4.247 5.016 . 0 0 "[ . 1 . 2]" 5
306 2 26 GLU H 2 65 LEU QD 5.500 . 7.000 4.615 4.247 5.016 . 0 0 "[ . 1 . 2]" 5
307 1 27 TYR HA 1 40 VAL HB 5.500 . 5.500 4.497 4.110 4.794 . 0 0 "[ . 1 . 2]" 5
308 2 27 TYR HA 2 40 VAL HB 5.500 . 5.500 4.497 4.112 4.795 . 0 0 "[ . 1 . 2]" 5
309 1 27 TYR HA 1 41 PHE HA 2.700 . 2.700 2.661 2.498 2.718 0.018 7 0 "[ . 1 . 2]" 5
310 2 27 TYR HA 2 41 PHE HA 2.700 . 2.700 2.661 2.497 2.717 0.017 7 0 "[ . 1 . 2]" 5
311 1 27 TYR HA 1 41 PHE HB3 5.500 . 5.500 5.078 4.874 5.202 . 0 0 "[ . 1 . 2]" 5
312 2 27 TYR HA 2 41 PHE HB3 5.500 . 5.500 5.078 4.875 5.201 . 0 0 "[ . 1 . 2]" 5
313 1 27 TYR HA 1 42 VAL MG2 4.200 . 4.700 2.777 2.356 3.371 . 0 0 "[ . 1 . 2]" 5
314 2 27 TYR HA 2 42 VAL MG2 4.200 . 4.700 2.777 2.356 3.371 . 0 0 "[ . 1 . 2]" 5
315 1 27 TYR HB3 1 65 LEU QD 5.500 . 7.000 3.797 3.043 4.385 . 0 0 "[ . 1 . 2]" 5
316 2 27 TYR HB3 2 65 LEU QD 5.500 . 7.000 3.797 3.042 4.385 . 0 0 "[ . 1 . 2]" 5
317 1 27 TYR HB2 1 39 VAL MG1 5.500 . 6.000 2.824 2.658 2.967 . 0 0 "[ . 1 . 2]" 5
318 2 27 TYR HB2 2 39 VAL MG1 5.500 . 6.000 2.825 2.659 2.967 . 0 0 "[ . 1 . 2]" 5
319 1 26 GLU HA 1 27 TYR H 2.700 . 2.700 2.468 2.251 2.699 . 0 0 "[ . 1 . 2]" 5
320 2 26 GLU HA 2 27 TYR H 2.700 . 2.700 2.468 2.253 2.698 . 0 0 "[ . 1 . 2]" 5
321 1 26 GLU HB3 1 27 TYR H 4.200 . 4.200 3.855 3.595 4.210 0.010 9 0 "[ . 1 . 2]" 5
322 2 26 GLU HB3 2 27 TYR H 4.200 . 4.200 3.855 3.595 4.211 0.011 9 0 "[ . 1 . 2]" 5
323 1 26 GLU HB2 1 27 TYR H 4.200 . 4.200 2.514 2.056 3.080 . 0 0 "[ . 1 . 2]" 5
324 2 26 GLU HB2 2 27 TYR H 4.200 . 4.200 2.514 2.056 3.080 . 0 0 "[ . 1 . 2]" 5
325 1 27 TYR H 1 65 LEU MD1 5.500 . 6.000 3.765 3.238 4.433 . 0 0 "[ . 1 . 2]" 5
326 2 27 TYR H 2 65 LEU MD1 5.500 . 6.000 3.765 3.237 4.433 . 0 0 "[ . 1 . 2]" 5
327 1 27 TYR H 1 65 LEU MD2 5.500 . 6.000 3.596 2.654 4.657 . 0 0 "[ . 1 . 2]" 5
328 2 27 TYR H 2 65 LEU MD2 5.500 . 6.000 3.596 2.653 4.657 . 0 0 "[ . 1 . 2]" 5
329 1 28 PHE HA 1 28 PHE HB3 2.700 . 2.700 2.411 2.364 2.486 . 0 0 "[ . 1 . 2]" 5
330 2 28 PHE HA 2 28 PHE HB3 2.700 . 2.700 2.411 2.364 2.486 . 0 0 "[ . 1 . 2]" 5
331 1 27 TYR HA 1 28 PHE H 2.700 . 2.700 2.670 2.584 2.718 0.018 1 0 "[ . 1 . 2]" 5
332 2 27 TYR HA 2 28 PHE H 2.700 . 2.700 2.670 2.583 2.718 0.018 3 0 "[ . 1 . 2]" 5
333 1 27 TYR HB3 1 28 PHE H 4.200 . 4.200 3.708 3.636 3.824 . 0 0 "[ . 1 . 2]" 5
334 2 27 TYR HB3 2 28 PHE H 4.200 . 4.200 3.708 3.637 3.824 . 0 0 "[ . 1 . 2]" 5
335 1 27 TYR HB2 1 28 PHE H 4.200 . 4.200 2.233 2.139 2.393 . 0 0 "[ . 1 . 2]" 5
336 2 27 TYR HB2 2 28 PHE H 4.200 . 4.200 2.233 2.139 2.391 . 0 0 "[ . 1 . 2]" 5
337 1 28 PHE H 1 39 VAL HA 5.500 . 5.500 4.473 4.292 4.620 . 0 0 "[ . 1 . 2]" 5
338 2 28 PHE H 2 39 VAL HA 5.500 . 5.500 4.473 4.293 4.620 . 0 0 "[ . 1 . 2]" 5
339 1 28 PHE H 1 39 VAL MG1 4.200 . 4.700 2.937 2.784 3.044 . 0 0 "[ . 1 . 2]" 5
340 2 28 PHE H 2 39 VAL MG1 4.200 . 4.700 2.937 2.783 3.044 . 0 0 "[ . 1 . 2]" 5
341 1 28 PHE H 1 39 VAL MG2 5.500 . 6.000 4.793 4.681 4.872 . 0 0 "[ . 1 . 2]" 5
342 2 28 PHE H 2 39 VAL MG2 5.500 . 6.000 4.794 4.681 4.871 . 0 0 "[ . 1 . 2]" 5
343 1 28 PHE H 1 40 VAL HB 4.200 . 4.200 3.155 2.904 3.359 . 0 0 "[ . 1 . 2]" 5
344 2 28 PHE H 2 40 VAL HB 4.200 . 4.200 3.155 2.904 3.359 . 0 0 "[ . 1 . 2]" 5
345 1 28 PHE H 1 40 VAL MG1 5.500 . 6.000 3.891 3.746 4.210 . 0 0 "[ . 1 . 2]" 5
346 2 28 PHE H 2 40 VAL MG1 5.500 . 6.000 3.891 3.747 4.211 . 0 0 "[ . 1 . 2]" 5
347 1 28 PHE H 1 40 VAL MG2 5.500 . 6.000 4.515 4.218 4.704 . 0 0 "[ . 1 . 2]" 5
348 2 28 PHE H 2 40 VAL MG2 5.500 . 6.000 4.515 4.219 4.704 . 0 0 "[ . 1 . 2]" 5
349 1 28 PHE H 1 41 PHE HA 5.500 . 5.500 3.970 3.768 4.160 . 0 0 "[ . 1 . 2]" 5
350 2 28 PHE H 2 41 PHE HA 5.500 . 5.500 3.969 3.768 4.159 . 0 0 "[ . 1 . 2]" 5
351 1 28 PHE H 1 42 VAL MG2 5.500 . 6.000 4.277 3.936 4.717 . 0 0 "[ . 1 . 2]" 5
352 2 28 PHE H 2 42 VAL MG2 5.500 . 6.000 4.277 3.936 4.717 . 0 0 "[ . 1 . 2]" 5
353 1 29 TYR HA 1 39 VAL HA 2.700 . 2.700 2.032 1.932 2.224 . 0 0 "[ . 1 . 2]" 5
354 2 29 TYR HA 2 39 VAL HA 2.700 . 2.700 2.032 1.934 2.225 . 0 0 "[ . 1 . 2]" 5
355 1 29 TYR HA 1 39 VAL MG1 5.500 . 6.000 3.600 3.481 3.927 . 0 0 "[ . 1 . 2]" 5
356 2 29 TYR HA 2 39 VAL MG1 5.500 . 6.000 3.600 3.481 3.927 . 0 0 "[ . 1 . 2]" 5
357 1 29 TYR HA 1 39 VAL MG2 5.500 . 6.000 3.267 3.065 3.508 . 0 0 "[ . 1 . 2]" 5
358 2 29 TYR HA 2 39 VAL MG2 5.500 . 6.000 3.267 3.066 3.507 . 0 0 "[ . 1 . 2]" 5
359 1 29 TYR H 1 29 TYR HB2 3.300 . 3.300 2.429 2.374 2.479 . 0 0 "[ . 1 . 2]" 5
360 2 29 TYR H 2 29 TYR HB2 3.300 . 3.300 2.429 2.373 2.480 . 0 0 "[ . 1 . 2]" 5
361 1 8 THR MG 1 30 THR HB 5.500 . 6.000 3.692 3.243 4.427 . 0 0 "[ . 1 . 2]" 5
362 2 8 THR MG 2 30 THR HB 5.500 . 6.000 3.692 3.243 4.428 . 0 0 "[ . 1 . 2]" 5
363 1 30 THR HA 1 30 THR HB 2.700 . 2.700 2.484 2.323 2.709 0.009 5 0 "[ . 1 . 2]" 5
364 2 30 THR HA 2 30 THR HB 2.700 . 2.700 2.485 2.322 2.709 0.009 5 0 "[ . 1 . 2]" 5
365 1 30 THR HB 1 40 VAL MG2 5.500 . 6.000 4.040 3.735 4.236 . 0 0 "[ . 1 . 2]" 5
366 2 30 THR HB 2 40 VAL MG2 5.500 . 6.000 4.040 3.736 4.237 . 0 0 "[ . 1 . 2]" 5
367 1 11 CYS HB2 1 30 THR HG1 5.500 . 5.500 3.252 2.206 4.372 . 0 0 "[ . 1 . 2]" 5
368 2 11 CYS HB2 2 30 THR HG1 5.500 . 5.500 3.252 2.205 4.371 . 0 0 "[ . 1 . 2]" 5
369 1 30 THR HG1 1 38 ALA MB 5.500 . 6.000 3.440 2.631 4.199 . 0 0 "[ . 1 . 2]" 5
370 2 30 THR HG1 2 38 ALA MB 5.500 . 6.000 3.440 2.632 4.200 . 0 0 "[ . 1 . 2]" 5
371 1 30 THR MG 1 40 VAL MG2 4.200 . 5.200 2.082 1.669 2.933 0.131 20 0 "[ . 1 . 2]" 5
372 2 30 THR MG 2 40 VAL MG2 4.200 . 5.200 2.082 1.669 2.934 0.131 20 0 "[ . 1 . 2]" 5
373 1 29 TYR HA 1 30 THR H 2.700 . 2.700 2.445 2.255 2.546 . 0 0 "[ . 1 . 2]" 5
374 2 29 TYR HA 2 30 THR H 2.700 . 2.700 2.445 2.255 2.546 . 0 0 "[ . 1 . 2]" 5
375 1 29 TYR HB3 1 30 THR H 4.200 . 4.200 2.487 2.256 3.029 . 0 0 "[ . 1 . 2]" 5
376 2 29 TYR HB3 2 30 THR H 4.200 . 4.200 2.487 2.256 3.028 . 0 0 "[ . 1 . 2]" 5
377 1 30 THR H 1 30 THR HG1 4.200 . 4.200 3.247 2.240 4.037 . 0 0 "[ . 1 . 2]" 5
378 2 30 THR H 2 30 THR HG1 4.200 . 4.200 3.247 2.239 4.038 . 0 0 "[ . 1 . 2]" 5
379 1 30 THR H 1 30 THR MG 4.200 . 4.700 2.965 2.367 3.650 . 0 0 "[ . 1 . 2]" 5
380 2 30 THR H 2 30 THR MG 4.200 . 4.700 2.965 2.366 3.650 . 0 0 "[ . 1 . 2]" 5
381 1 30 THR H 1 38 ALA MB 5.500 . 6.000 4.246 3.765 4.444 . 0 0 "[ . 1 . 2]" 5
382 2 30 THR H 2 38 ALA MB 5.500 . 6.000 4.246 3.765 4.445 . 0 0 "[ . 1 . 2]" 5
383 1 30 THR H 1 39 VAL HA 5.500 . 5.500 3.628 3.364 3.906 . 0 0 "[ . 1 . 2]" 5
384 2 30 THR H 2 39 VAL HA 5.500 . 5.500 3.628 3.364 3.905 . 0 0 "[ . 1 . 2]" 5
385 1 30 THR H 1 39 VAL MG2 5.500 . 6.000 4.537 4.304 4.821 . 0 0 "[ . 1 . 2]" 5
386 2 30 THR H 2 39 VAL MG2 5.500 . 6.000 4.537 4.304 4.821 . 0 0 "[ . 1 . 2]" 5
387 1 8 THR MG 1 31 SER HA 5.500 . 6.000 5.014 4.844 5.066 . 0 0 "[ . 1 . 2]" 5
388 2 8 THR MG 2 31 SER HA 5.500 . 6.000 5.014 4.844 5.066 . 0 0 "[ . 1 . 2]" 5
389 1 8 THR MG 1 31 SER H 4.200 . 4.700 3.987 3.913 4.011 . 0 0 "[ . 1 . 2]" 5
390 2 8 THR MG 2 31 SER H 4.200 . 4.700 3.987 3.912 4.012 . 0 0 "[ . 1 . 2]" 5
391 1 30 THR HB 1 31 SER H 4.200 . 4.200 3.111 2.977 3.368 . 0 0 "[ . 1 . 2]" 5
392 2 30 THR HB 2 31 SER H 4.200 . 4.200 3.111 2.977 3.369 . 0 0 "[ . 1 . 2]" 5
393 1 30 THR MG 1 31 SER H 5.500 . 6.000 3.915 3.401 4.287 . 0 0 "[ . 1 . 2]" 5
394 2 30 THR MG 2 31 SER H 5.500 . 6.000 3.915 3.401 4.287 . 0 0 "[ . 1 . 2]" 5
395 1 31 SER H 1 33 LYS H 5.500 . 5.500 4.397 3.896 5.203 . 0 0 "[ . 1 . 2]" 5
396 2 31 SER H 2 33 LYS H 5.500 . 5.500 4.397 3.895 5.203 . 0 0 "[ . 1 . 2]" 5
397 1 31 SER H 1 34 CYS H 5.500 . 5.500 5.293 4.596 5.514 0.014 16 0 "[ . 1 . 2]" 5
398 2 31 SER H 2 34 CYS H 5.500 . 5.500 5.293 4.596 5.515 0.015 16 0 "[ . 1 . 2]" 5
399 1 31 SER HB3 1 32 GLY H 4.200 . 4.200 2.866 2.014 4.189 . 0 0 "[ . 1 . 2]" 5
400 2 31 SER HB3 2 32 GLY H 4.200 . 4.200 2.866 2.012 4.189 . 0 0 "[ . 1 . 2]" 5
401 1 31 SER HB2 1 32 GLY H 4.200 . 4.200 3.091 1.919 4.237 0.037 14 0 "[ . 1 . 2]" 5
402 2 31 SER HB2 2 32 GLY H 4.200 . 4.200 3.090 1.920 4.236 0.036 14 0 "[ . 1 . 2]" 5
403 1 32 GLY H 1 33 LYS H 4.200 . 4.200 3.907 3.318 4.212 0.012 17 0 "[ . 1 . 2]" 5
404 2 32 GLY H 2 33 LYS H 4.200 . 4.200 3.907 3.317 4.212 0.012 17 0 "[ . 1 . 2]" 5
405 1 32 GLY H 1 34 CYS H 5.500 . 5.500 3.615 3.309 4.392 . 0 0 "[ . 1 . 2]" 5
406 2 32 GLY H 2 34 CYS H 5.500 . 5.500 3.615 3.308 4.394 . 0 0 "[ . 1 . 2]" 5
407 1 33 LYS HA 1 33 LYS HD2 4.200 . 4.200 4.096 3.214 4.221 0.021 16 0 "[ . 1 . 2]" 5
408 2 33 LYS HA 2 33 LYS HD2 4.200 . 4.200 4.096 3.214 4.221 0.021 16 0 "[ . 1 . 2]" 5
409 1 33 LYS HA 1 33 LYS HD3 4.200 . 4.200 3.986 3.601 4.274 0.074 17 0 "[ . 1 . 2]" 5
410 2 33 LYS HA 2 33 LYS HD3 4.200 . 4.200 3.986 3.601 4.275 0.075 17 0 "[ . 1 . 2]" 5
411 1 33 LYS HA 1 33 LYS HE3 5.500 . 5.500 4.910 2.441 5.413 . 0 0 "[ . 1 . 2]" 5
412 2 33 LYS HA 2 33 LYS HE3 5.500 . 5.500 4.910 2.442 5.414 . 0 0 "[ . 1 . 2]" 5
413 1 33 LYS HA 1 33 LYS HE2 5.500 . 5.500 5.008 2.236 5.512 0.012 10 0 "[ . 1 . 2]" 5
414 2 33 LYS HA 2 33 LYS HE2 5.500 . 5.500 5.008 2.236 5.513 0.013 10 0 "[ . 1 . 2]" 5
415 1 33 LYS HB3 1 33 LYS HE2 5.500 . 5.500 4.553 3.019 5.450 . 0 0 "[ . 1 . 2]" 5
416 2 33 LYS HB3 2 33 LYS HE2 5.500 . 5.500 4.553 3.018 5.451 . 0 0 "[ . 1 . 2]" 5
417 1 33 LYS HB3 1 33 LYS HE3 5.500 . 5.500 4.195 3.477 4.644 . 0 0 "[ . 1 . 2]" 5
418 2 33 LYS HB3 2 33 LYS HE3 5.500 . 5.500 4.195 3.478 4.645 . 0 0 "[ . 1 . 2]" 5
419 1 33 LYS H 1 33 LYS HB2 3.300 . 3.300 2.437 2.159 2.742 . 0 0 "[ . 1 . 2]" 5
420 2 33 LYS H 2 33 LYS HB2 3.300 . 3.300 2.437 2.160 2.742 . 0 0 "[ . 1 . 2]" 5
421 1 33 LYS H 1 33 LYS HD2 5.500 . 5.500 4.458 2.515 5.390 . 0 0 "[ . 1 . 2]" 5
422 2 33 LYS H 2 33 LYS HD2 5.500 . 5.500 4.459 2.515 5.390 . 0 0 "[ . 1 . 2]" 5
423 1 33 LYS H 1 33 LYS HD3 5.500 . 5.500 4.986 4.122 5.420 . 0 0 "[ . 1 . 2]" 5
424 2 33 LYS H 2 33 LYS HD3 5.500 . 5.500 4.986 4.123 5.420 . 0 0 "[ . 1 . 2]" 5
425 1 33 LYS H 1 33 LYS HE3 5.500 . 5.500 4.562 2.837 5.116 . 0 0 "[ . 1 . 2]" 5
426 2 33 LYS H 2 33 LYS HE3 5.500 . 5.500 4.562 2.836 5.115 . 0 0 "[ . 1 . 2]" 5
427 1 33 LYS H 1 33 LYS HE2 5.500 . 5.500 5.247 2.900 5.503 0.003 4 0 "[ . 1 . 2]" 5
428 2 33 LYS H 2 33 LYS HE2 5.500 . 5.500 5.247 2.900 5.504 0.004 4 0 "[ . 1 . 2]" 5
429 1 33 LYS H 1 34 CYS HA 5.500 . 5.500 5.116 4.707 5.279 . 0 0 "[ . 1 . 2]" 5
430 2 33 LYS H 2 34 CYS HA 5.500 . 5.500 5.116 4.709 5.281 . 0 0 "[ . 1 . 2]" 5
431 1 33 LYS H 1 34 CYS H 4.200 . 4.200 2.952 2.383 3.280 . 0 0 "[ . 1 . 2]" 5
432 2 33 LYS H 2 34 CYS H 4.200 . 4.200 2.952 2.383 3.282 . 0 0 "[ . 1 . 2]" 5
433 1 8 THR MG 1 34 CYS H 5.500 . 6.000 4.532 3.571 4.821 . 0 0 "[ . 1 . 2]" 5
434 2 8 THR MG 2 34 CYS H 5.500 . 6.000 4.532 3.571 4.821 . 0 0 "[ . 1 . 2]" 5
435 1 33 LYS HB2 1 34 CYS H 4.200 . 4.200 4.093 3.590 4.229 0.029 5 0 "[ . 1 . 2]" 5
436 2 33 LYS HB2 2 34 CYS H 4.200 . 4.200 4.093 3.589 4.230 0.030 5 0 "[ . 1 . 2]" 5
437 1 33 LYS QD 1 34 CYS H 5.500 . 6.500 5.665 4.547 5.840 . 0 0 "[ . 1 . 2]" 5
438 2 33 LYS QD 2 34 CYS H 5.500 . 6.500 5.665 4.546 5.841 . 0 0 "[ . 1 . 2]" 5
439 1 34 CYS HA 1 35 SER H 3.300 . 3.300 2.560 2.204 2.810 . 0 0 "[ . 1 . 2]" 5
440 2 34 CYS HA 2 35 SER H 3.300 . 3.300 2.560 2.204 2.809 . 0 0 "[ . 1 . 2]" 5
441 1 34 CYS HB3 1 35 SER H 4.200 . 4.200 2.449 1.982 3.391 . 0 0 "[ . 1 . 2]" 5
442 2 34 CYS HB3 2 35 SER H 4.200 . 4.200 2.449 1.983 3.392 . 0 0 "[ . 1 . 2]" 5
443 1 35 SER H 1 36 ASN H 4.200 . 4.200 2.486 2.139 3.444 . 0 0 "[ . 1 . 2]" 5
444 2 35 SER H 2 36 ASN H 4.200 . 4.200 2.487 2.141 3.445 . 0 0 "[ . 1 . 2]" 5
445 1 36 ASN HA 1 37 PRO HD2 3.300 . 3.300 2.513 2.438 2.606 . 0 0 "[ . 1 . 2]" 5
446 2 36 ASN HA 2 37 PRO HD2 3.300 . 3.300 2.513 2.437 2.605 . 0 0 "[ . 1 . 2]" 5
447 1 36 ASN HA 1 37 PRO HD3 3.300 . 3.300 1.949 1.922 1.989 . 0 0 "[ . 1 . 2]" 5
448 2 36 ASN HA 2 37 PRO HD3 3.300 . 3.300 1.949 1.923 1.989 . 0 0 "[ . 1 . 2]" 5
449 1 12 PHE HA 1 36 ASN HD21 4.200 . 4.200 3.096 2.739 3.738 . 0 0 "[ . 1 . 2]" 5
450 2 12 PHE HA 2 36 ASN HD21 4.200 . 4.200 3.096 2.740 3.739 . 0 0 "[ . 1 . 2]" 5
451 1 12 PHE HA 1 36 ASN HD22 4.200 . 4.200 3.540 1.876 4.207 0.007 20 0 "[ . 1 . 2]" 5
452 2 12 PHE HA 2 36 ASN HD22 4.200 . 4.200 3.540 1.876 4.208 0.008 20 0 "[ . 1 . 2]" 5
453 1 36 ASN H 1 36 ASN HD21 5.500 . 5.500 3.231 2.517 4.205 . 0 0 "[ . 1 . 2]" 5
454 2 36 ASN H 2 36 ASN HD21 5.500 . 5.500 3.230 2.515 4.203 . 0 0 "[ . 1 . 2]" 5
455 1 36 ASN H 1 36 ASN HD22 5.500 . 5.500 3.862 2.952 4.234 . 0 0 "[ . 1 . 2]" 5
456 2 36 ASN H 2 36 ASN HD22 5.500 . 5.500 3.862 2.951 4.233 . 0 0 "[ . 1 . 2]" 5
457 1 36 ASN H 1 37 PRO QD 5.500 . 6.500 4.230 4.189 4.320 . 0 0 "[ . 1 . 2]" 5
458 2 36 ASN H 2 37 PRO QD 5.500 . 6.500 4.230 4.189 4.319 . 0 0 "[ . 1 . 2]" 5
459 1 36 ASN HB2 1 37 PRO HD3 5.500 . 5.500 3.863 3.100 4.270 . 0 0 "[ . 1 . 2]" 5
460 2 36 ASN HB2 2 37 PRO HD3 5.500 . 5.500 3.863 3.099 4.271 . 0 0 "[ . 1 . 2]" 5
461 1 36 ASN HB3 1 37 PRO HD3 5.500 . 5.500 3.487 3.035 4.158 . 0 0 "[ . 1 . 2]" 5
462 2 36 ASN HB3 2 37 PRO HD3 5.500 . 5.500 3.486 3.035 4.158 . 0 0 "[ . 1 . 2]" 5
463 1 36 ASN HB2 1 37 PRO HD2 5.500 . 5.500 2.876 1.963 3.411 . 0 0 "[ . 1 . 2]" 5
464 2 36 ASN HB2 2 37 PRO HD2 5.500 . 5.500 2.876 1.962 3.410 . 0 0 "[ . 1 . 2]" 5
465 1 36 ASN HB3 1 37 PRO HD2 5.500 . 5.500 2.604 2.020 3.608 . 0 0 "[ . 1 . 2]" 5
466 2 36 ASN HB3 2 37 PRO HD2 5.500 . 5.500 2.604 2.020 3.608 . 0 0 "[ . 1 . 2]" 5
467 1 37 PRO HB2 1 37 PRO HD2 4.200 . 4.200 3.932 3.927 3.935 . 0 0 "[ . 1 . 2]" 5
468 2 37 PRO HB2 2 37 PRO HD2 4.200 . 4.200 3.932 3.927 3.934 . 0 0 "[ . 1 . 2]" 5
469 1 38 ALA HA 1 39 VAL HB 5.500 . 5.500 4.680 4.602 4.760 . 0 0 "[ . 1 . 2]" 5
470 2 38 ALA HA 2 39 VAL HB 5.500 . 5.500 4.680 4.602 4.759 . 0 0 "[ . 1 . 2]" 5
471 1 38 ALA HA 1 52 ASN HA 5.500 . 5.500 3.725 3.362 4.068 . 0 0 "[ . 1 . 2]" 5
472 2 38 ALA HA 2 52 ASN HA 5.500 . 5.500 3.725 3.362 4.068 . 0 0 "[ . 1 . 2]" 5
473 1 38 ALA HA 1 53 PRO QG 4.200 . 5.200 3.744 3.436 4.269 . 0 0 "[ . 1 . 2]" 5
474 2 38 ALA HA 2 53 PRO QG 4.200 . 5.200 3.744 3.435 4.270 . 0 0 "[ . 1 . 2]" 5
475 1 38 ALA MB 1 40 VAL MG2 5.500 . 6.500 3.749 3.639 3.919 . 0 0 "[ . 1 . 2]" 5
476 2 38 ALA MB 2 40 VAL MG2 5.500 . 6.500 3.749 3.639 3.918 . 0 0 "[ . 1 . 2]" 5
477 1 29 TYR HA 1 38 ALA H 5.500 . 5.500 4.595 4.299 4.786 . 0 0 "[ . 1 . 2]" 5
478 2 29 TYR HA 2 38 ALA H 5.500 . 5.500 4.595 4.298 4.787 . 0 0 "[ . 1 . 2]" 5
479 1 30 THR HG1 1 38 ALA H 4.200 . 4.200 3.277 2.223 4.114 . 0 0 "[ . 1 . 2]" 5
480 2 30 THR HG1 2 38 ALA H 4.200 . 4.200 3.277 2.224 4.113 . 0 0 "[ . 1 . 2]" 5
481 1 39 VAL HA 1 40 VAL HB 5.500 . 5.500 4.372 4.317 4.570 . 0 0 "[ . 1 . 2]" 5
482 2 39 VAL HA 2 40 VAL HB 5.500 . 5.500 4.373 4.317 4.569 . 0 0 "[ . 1 . 2]" 5
483 1 39 VAL HA 1 40 VAL MG2 5.500 . 6.000 3.585 3.239 3.743 . 0 0 "[ . 1 . 2]" 5
484 2 39 VAL HA 2 40 VAL MG2 5.500 . 6.000 3.586 3.239 3.744 . 0 0 "[ . 1 . 2]" 5
485 1 39 VAL HB 1 58 VAL MG1 4.200 . 4.700 3.259 3.017 3.439 . 0 0 "[ . 1 . 2]" 5
486 2 39 VAL HB 2 58 VAL MG1 4.200 . 4.700 3.259 3.017 3.439 . 0 0 "[ . 1 . 2]" 5
487 1 39 VAL H 1 39 VAL HB 3.300 . 3.300 2.410 2.334 2.557 . 0 0 "[ . 1 . 2]" 5
488 2 39 VAL H 2 39 VAL HB 3.300 . 3.300 2.410 2.334 2.558 . 0 0 "[ . 1 . 2]" 5
489 1 39 VAL H 1 39 VAL MG1 4.200 . 4.700 3.744 3.718 3.785 . 0 0 "[ . 1 . 2]" 5
490 2 39 VAL H 2 39 VAL MG1 4.200 . 4.700 3.744 3.718 3.785 . 0 0 "[ . 1 . 2]" 5
491 1 39 VAL H 1 39 VAL MG2 4.200 . 4.700 2.837 2.696 3.048 . 0 0 "[ . 1 . 2]" 5
492 2 39 VAL H 2 39 VAL MG2 4.200 . 4.700 2.837 2.696 3.047 . 0 0 "[ . 1 . 2]" 5
493 1 39 VAL H 1 51 ALA MB 5.500 . 6.000 4.171 4.010 4.379 . 0 0 "[ . 1 . 2]" 5
494 2 39 VAL H 2 51 ALA MB 5.500 . 6.000 4.171 4.010 4.378 . 0 0 "[ . 1 . 2]" 5
495 1 39 VAL H 1 58 VAL MG1 5.500 . 6.000 4.772 4.505 4.974 . 0 0 "[ . 1 . 2]" 5
496 2 39 VAL H 2 58 VAL MG1 5.500 . 6.000 4.772 4.504 4.975 . 0 0 "[ . 1 . 2]" 5
497 1 39 VAL HB 1 40 VAL HA 5.500 . 5.500 4.753 4.714 4.819 . 0 0 "[ . 1 . 2]" 5
498 2 39 VAL HB 2 40 VAL HA 5.500 . 5.500 4.753 4.714 4.818 . 0 0 "[ . 1 . 2]" 5
499 1 39 VAL MG1 1 40 VAL HA 5.500 . 6.000 3.255 3.201 3.307 . 0 0 "[ . 1 . 2]" 5
500 2 39 VAL MG1 2 40 VAL HA 5.500 . 6.000 3.255 3.201 3.306 . 0 0 "[ . 1 . 2]" 5
501 1 27 TYR HA 1 40 VAL H 5.500 . 5.500 4.629 4.389 4.818 . 0 0 "[ . 1 . 2]" 5
502 2 27 TYR HA 2 40 VAL H 5.500 . 5.500 4.630 4.389 4.819 . 0 0 "[ . 1 . 2]" 5
503 1 28 PHE H 1 40 VAL H 4.200 . 4.200 2.517 2.344 2.644 . 0 0 "[ . 1 . 2]" 5
504 2 28 PHE H 2 40 VAL H 4.200 . 4.200 2.517 2.343 2.644 . 0 0 "[ . 1 . 2]" 5
505 1 29 TYR HA 1 40 VAL H 4.200 . 4.200 3.441 3.341 3.564 . 0 0 "[ . 1 . 2]" 5
506 2 29 TYR HA 2 40 VAL H 4.200 . 4.200 3.441 3.342 3.566 . 0 0 "[ . 1 . 2]" 5
507 1 30 THR H 1 40 VAL H 5.500 . 5.500 5.338 4.772 5.498 . 0 0 "[ . 1 . 2]" 5
508 2 30 THR H 2 40 VAL H 5.500 . 5.500 5.338 4.773 5.498 . 0 0 "[ . 1 . 2]" 5
509 1 39 VAL HA 1 40 VAL H 2.700 . 2.700 2.451 2.380 2.468 . 0 0 "[ . 1 . 2]" 5
510 2 39 VAL HA 2 40 VAL H 2.700 . 2.700 2.451 2.381 2.467 . 0 0 "[ . 1 . 2]" 5
511 1 39 VAL MG1 1 40 VAL H 4.200 . 4.700 1.783 1.754 1.969 0.046 17 0 "[ . 1 . 2]" 5
512 2 39 VAL MG1 2 40 VAL H 4.200 . 4.700 1.783 1.754 1.970 0.046 17 0 "[ . 1 . 2]" 5
513 1 39 VAL MG2 1 40 VAL H 4.200 . 4.700 3.598 3.556 3.655 . 0 0 "[ . 1 . 2]" 5
514 2 39 VAL MG2 2 40 VAL H 4.200 . 4.700 3.598 3.555 3.654 . 0 0 "[ . 1 . 2]" 5
515 1 40 VAL H 1 40 VAL HB 3.300 . 3.300 2.722 2.647 2.801 . 0 0 "[ . 1 . 2]" 5
516 2 40 VAL H 2 40 VAL HB 3.300 . 3.300 2.722 2.646 2.801 . 0 0 "[ . 1 . 2]" 5
517 1 40 VAL H 1 40 VAL MG2 4.200 . 4.700 3.166 2.876 3.245 . 0 0 "[ . 1 . 2]" 5
518 2 40 VAL H 2 40 VAL MG2 4.200 . 4.700 3.166 2.877 3.245 . 0 0 "[ . 1 . 2]" 5
519 1 40 VAL H 1 41 PHE HA 5.500 . 5.500 4.585 4.499 4.697 . 0 0 "[ . 1 . 2]" 5
520 2 40 VAL H 2 41 PHE HA 5.500 . 5.500 4.585 4.499 4.696 . 0 0 "[ . 1 . 2]" 5
521 1 40 VAL H 1 50 CYS HA 5.500 . 5.500 5.061 4.742 5.227 . 0 0 "[ . 1 . 2]" 5
522 2 40 VAL H 2 50 CYS HA 5.500 . 5.500 5.061 4.741 5.226 . 0 0 "[ . 1 . 2]" 5
523 1 24 ILE MG 1 41 PHE HA 4.200 . 4.700 3.559 3.200 3.849 . 0 0 "[ . 1 . 2]" 5
524 2 24 ILE MG 2 41 PHE HA 4.200 . 4.700 3.559 3.200 3.849 . 0 0 "[ . 1 . 2]" 5
525 1 27 TYR HB2 1 41 PHE HA 5.500 . 5.500 2.404 2.092 2.884 . 0 0 "[ . 1 . 2]" 5
526 2 27 TYR HB2 2 41 PHE HA 5.500 . 5.500 2.403 2.092 2.882 . 0 0 "[ . 1 . 2]" 5
527 1 40 VAL MG1 1 41 PHE HA 5.500 . 6.000 3.842 3.631 3.940 . 0 0 "[ . 1 . 2]" 5
528 2 40 VAL MG1 2 41 PHE HA 5.500 . 6.000 3.842 3.631 3.940 . 0 0 "[ . 1 . 2]" 5
529 1 41 PHE HA 1 42 VAL MG2 5.500 . 6.000 3.672 3.345 3.927 . 0 0 "[ . 1 . 2]" 5
530 2 41 PHE HA 2 42 VAL MG2 5.500 . 6.000 3.672 3.345 3.927 . 0 0 "[ . 1 . 2]" 5
531 1 19 LEU MD1 1 41 PHE HB3 5.500 . 6.000 3.457 2.136 4.306 . 0 0 "[ . 1 . 2]" 5
532 2 19 LEU MD1 2 41 PHE HB3 5.500 . 6.000 3.457 2.137 4.306 . 0 0 "[ . 1 . 2]" 5
533 1 19 LEU MD2 1 41 PHE HB3 5.500 . 6.000 3.119 2.142 4.457 . 0 0 "[ . 1 . 2]" 5
534 2 19 LEU MD2 2 41 PHE HB3 5.500 . 6.000 3.119 2.143 4.456 . 0 0 "[ . 1 . 2]" 5
535 1 24 ILE MD 1 41 PHE HB3 5.500 . 6.000 3.118 2.565 3.603 . 0 0 "[ . 1 . 2]" 5
536 2 24 ILE MD 2 41 PHE HB3 5.500 . 6.000 3.118 2.564 3.603 . 0 0 "[ . 1 . 2]" 5
537 1 24 ILE QG 1 41 PHE HB3 5.500 . 6.500 3.207 2.796 3.661 . 0 0 "[ . 1 . 2]" 5
538 2 24 ILE QG 2 41 PHE HB3 5.500 . 6.500 3.207 2.796 3.662 . 0 0 "[ . 1 . 2]" 5
539 1 24 ILE MG 1 41 PHE HB3 4.200 . 4.700 2.941 2.231 3.312 . 0 0 "[ . 1 . 2]" 5
540 2 24 ILE MG 2 41 PHE HB3 4.200 . 4.700 2.941 2.229 3.313 . 0 0 "[ . 1 . 2]" 5
541 1 19 LEU QD 1 41 PHE HB2 5.500 . 7.000 2.370 2.038 2.715 . 0 0 "[ . 1 . 2]" 5
542 2 19 LEU QD 2 41 PHE HB2 5.500 . 7.000 2.370 2.038 2.714 . 0 0 "[ . 1 . 2]" 5
543 1 24 ILE MD 1 41 PHE HB2 5.500 . 6.000 4.225 3.772 4.660 . 0 0 "[ . 1 . 2]" 5
544 2 24 ILE MD 2 41 PHE HB2 5.500 . 6.000 4.225 3.772 4.660 . 0 0 "[ . 1 . 2]" 5
545 1 41 PHE HB2 1 49 VAL HB 2.700 . 2.700 2.405 1.995 2.553 . 0 0 "[ . 1 . 2]" 5
546 2 41 PHE HB2 2 49 VAL HB 2.700 . 2.700 2.405 1.996 2.554 . 0 0 "[ . 1 . 2]" 5
547 1 39 VAL MG1 1 41 PHE H 5.500 . 6.000 3.673 3.475 4.153 . 0 0 "[ . 1 . 2]" 5
548 2 39 VAL MG1 2 41 PHE H 5.500 . 6.000 3.672 3.474 4.153 . 0 0 "[ . 1 . 2]" 5
549 1 40 VAL HA 1 41 PHE H 2.700 . 2.700 2.201 2.191 2.255 . 0 0 "[ . 1 . 2]" 5
550 2 40 VAL HA 2 41 PHE H 2.700 . 2.700 2.201 2.189 2.256 . 0 0 "[ . 1 . 2]" 5
551 1 40 VAL MG1 1 41 PHE H 4.200 . 4.700 2.738 2.262 3.044 . 0 0 "[ . 1 . 2]" 5
552 2 40 VAL MG1 2 41 PHE H 4.200 . 4.700 2.738 2.262 3.045 . 0 0 "[ . 1 . 2]" 5
553 1 40 VAL MG2 1 41 PHE H 5.500 . 6.000 3.972 3.854 4.030 . 0 0 "[ . 1 . 2]" 5
554 2 40 VAL MG2 2 41 PHE H 5.500 . 6.000 3.972 3.854 4.030 . 0 0 "[ . 1 . 2]" 5
555 1 41 PHE H 1 49 VAL HB 5.500 . 5.500 3.121 2.706 3.425 . 0 0 "[ . 1 . 2]" 5
556 2 41 PHE H 2 49 VAL HB 5.500 . 5.500 3.121 2.706 3.424 . 0 0 "[ . 1 . 2]" 5
557 1 41 PHE H 1 49 VAL MG1 5.500 . 6.000 3.745 3.421 4.318 . 0 0 "[ . 1 . 2]" 5
558 2 41 PHE H 2 49 VAL MG1 5.500 . 6.000 3.746 3.420 4.319 . 0 0 "[ . 1 . 2]" 5
559 1 41 PHE H 1 49 VAL MG2 5.500 . 6.000 4.537 4.262 4.717 . 0 0 "[ . 1 . 2]" 5
560 2 41 PHE H 2 49 VAL MG2 5.500 . 6.000 4.537 4.262 4.717 . 0 0 "[ . 1 . 2]" 5
561 1 41 PHE H 1 50 CYS HA 5.500 . 5.500 3.776 3.578 3.983 . 0 0 "[ . 1 . 2]" 5
562 2 41 PHE H 2 50 CYS HA 5.500 . 5.500 3.776 3.576 3.983 . 0 0 "[ . 1 . 2]" 5
563 1 24 ILE MD 1 41 PHE HZ 5.500 . 6.000 4.665 4.189 4.984 . 0 0 "[ . 1 . 2]" 5
564 2 24 ILE MD 2 41 PHE HZ 5.500 . 6.000 4.665 4.188 4.983 . 0 0 "[ . 1 . 2]" 5
565 1 39 VAL MG1 1 41 PHE HZ 4.200 . 4.700 3.299 2.955 3.505 . 0 0 "[ . 1 . 2]" 5
566 2 39 VAL MG1 2 41 PHE HZ 4.200 . 4.700 3.299 2.956 3.505 . 0 0 "[ . 1 . 2]" 5
567 1 41 PHE HZ 1 51 ALA MB 5.500 . 6.000 3.859 3.686 4.081 . 0 0 "[ . 1 . 2]" 5
568 2 41 PHE HZ 2 51 ALA MB 5.500 . 6.000 3.859 3.685 4.081 . 0 0 "[ . 1 . 2]" 5
569 1 41 PHE HZ 1 57 TRP HE3 5.500 . 5.500 4.642 4.381 4.838 . 0 0 "[ . 1 . 2]" 5
570 2 41 PHE HZ 2 57 TRP HE3 5.500 . 5.500 4.642 4.380 4.838 . 0 0 "[ . 1 . 2]" 5
571 1 41 PHE HZ 1 58 VAL HA 3.300 . 3.300 3.121 2.826 3.301 0.001 2 0 "[ . 1 . 2]" 5
572 2 41 PHE HZ 2 58 VAL HA 3.300 . 3.300 3.121 2.825 3.301 0.001 20 0 "[ . 1 . 2]" 5
573 1 41 PHE HZ 1 58 VAL MG1 4.200 . 4.700 2.679 2.281 3.113 . 0 0 "[ . 1 . 2]" 5
574 2 41 PHE HZ 2 58 VAL MG1 4.200 . 4.700 2.679 2.282 3.113 . 0 0 "[ . 1 . 2]" 5
575 1 41 PHE HZ 1 58 VAL MG2 5.500 . 6.000 4.277 3.887 4.456 . 0 0 "[ . 1 . 2]" 5
576 2 41 PHE HZ 2 58 VAL MG2 5.500 . 6.000 4.277 3.887 4.456 . 0 0 "[ . 1 . 2]" 5
577 1 41 PHE HZ 1 61 TYR HB3 4.200 . 4.200 3.229 2.653 3.847 . 0 0 "[ . 1 . 2]" 5
578 2 41 PHE HZ 2 61 TYR HB3 4.200 . 4.200 3.229 2.654 3.847 . 0 0 "[ . 1 . 2]" 5
579 1 41 PHE HZ 1 61 TYR HB2 4.200 . 4.200 2.377 2.087 2.673 . 0 0 "[ . 1 . 2]" 5
580 2 41 PHE HZ 2 61 TYR HB2 4.200 . 4.200 2.377 2.086 2.673 . 0 0 "[ . 1 . 2]" 5
581 1 41 PHE HZ 1 62 ILE MD 5.500 . 6.000 2.366 1.847 2.847 . 0 0 "[ . 1 . 2]" 5
582 2 41 PHE HZ 2 62 ILE MD 5.500 . 6.000 2.366 1.847 2.846 . 0 0 "[ . 1 . 2]" 5
583 1 41 PHE HZ 1 62 ILE HG12 5.500 . 5.500 3.953 2.657 4.690 . 0 0 "[ . 1 . 2]" 5
584 2 41 PHE HZ 2 62 ILE HG12 5.500 . 5.500 3.953 2.658 4.691 . 0 0 "[ . 1 . 2]" 5
585 1 41 PHE HZ 1 62 ILE HG13 5.500 . 5.500 3.242 2.574 4.214 . 0 0 "[ . 1 . 2]" 5
586 2 41 PHE HZ 2 62 ILE HG13 5.500 . 5.500 3.242 2.574 4.213 . 0 0 "[ . 1 . 2]" 5
587 1 40 VAL MG1 1 42 VAL HA 5.500 . 6.000 3.980 3.769 4.346 . 0 0 "[ . 1 . 2]" 5
588 2 40 VAL MG1 2 42 VAL HA 5.500 . 6.000 3.980 3.770 4.347 . 0 0 "[ . 1 . 2]" 5
589 1 41 PHE HA 1 42 VAL HA 5.500 . 5.500 4.481 4.451 4.507 . 0 0 "[ . 1 . 2]" 5
590 2 41 PHE HA 2 42 VAL HA 5.500 . 5.500 4.482 4.453 4.508 . 0 0 "[ . 1 . 2]" 5
591 1 42 VAL HA 1 43 THR MG 5.500 . 6.000 3.768 3.497 4.144 . 0 0 "[ . 1 . 2]" 5
592 2 42 VAL HA 2 43 THR MG 5.500 . 6.000 3.768 3.497 4.145 . 0 0 "[ . 1 . 2]" 5
593 1 42 VAL HA 1 48 GLN HA 2.700 . 2.700 2.507 2.209 2.687 . 0 0 "[ . 1 . 2]" 5
594 2 42 VAL HA 2 48 GLN HA 2.700 . 2.700 2.507 2.210 2.688 . 0 0 "[ . 1 . 2]" 5
595 1 42 VAL HA 1 48 GLN QG 5.500 . 6.500 3.708 2.831 4.921 . 0 0 "[ . 1 . 2]" 5
596 2 42 VAL HA 2 48 GLN QG 5.500 . 6.500 3.708 2.831 4.921 . 0 0 "[ . 1 . 2]" 5
597 1 42 VAL HA 1 49 VAL MG2 5.500 . 6.000 4.601 3.939 4.837 . 0 0 "[ . 1 . 2]" 5
598 2 42 VAL HA 2 49 VAL MG2 5.500 . 6.000 4.601 3.938 4.838 . 0 0 "[ . 1 . 2]" 5
599 1 40 VAL MG1 1 42 VAL MG2 4.200 . 5.200 2.171 1.948 2.411 . 0 0 "[ . 1 . 2]" 5
600 2 40 VAL MG1 2 42 VAL MG2 4.200 . 5.200 2.171 1.948 2.411 . 0 0 "[ . 1 . 2]" 5
601 1 24 ILE MG 1 42 VAL H 4.200 . 4.700 3.481 2.538 3.843 . 0 0 "[ . 1 . 2]" 5
602 2 24 ILE MG 2 42 VAL H 4.200 . 4.700 3.481 2.538 3.844 . 0 0 "[ . 1 . 2]" 5
603 1 26 GLU H 1 42 VAL H 4.200 . 4.200 3.624 3.437 3.810 . 0 0 "[ . 1 . 2]" 5
604 2 26 GLU H 2 42 VAL H 4.200 . 4.200 3.624 3.438 3.810 . 0 0 "[ . 1 . 2]" 5
605 1 27 TYR HA 1 42 VAL H 5.500 . 5.500 2.516 2.209 3.042 . 0 0 "[ . 1 . 2]" 5
606 2 27 TYR HA 2 42 VAL H 5.500 . 5.500 2.517 2.209 3.042 . 0 0 "[ . 1 . 2]" 5
607 1 40 VAL MG1 1 42 VAL H 5.500 . 6.000 3.875 3.417 4.666 . 0 0 "[ . 1 . 2]" 5
608 2 40 VAL MG1 2 42 VAL H 5.500 . 6.000 3.875 3.416 4.666 . 0 0 "[ . 1 . 2]" 5
609 1 41 PHE HA 1 42 VAL H 2.700 . 2.700 2.231 2.188 2.342 . 0 0 "[ . 1 . 2]" 5
610 2 41 PHE HA 2 42 VAL H 2.700 . 2.700 2.231 2.190 2.343 . 0 0 "[ . 1 . 2]" 5
611 1 42 VAL H 1 42 VAL HB 3.300 . 3.300 2.654 2.512 2.846 . 0 0 "[ . 1 . 2]" 5
612 2 42 VAL H 2 42 VAL HB 3.300 . 3.300 2.653 2.511 2.845 . 0 0 "[ . 1 . 2]" 5
613 1 42 VAL H 1 42 VAL MG2 4.200 . 4.700 2.495 2.157 2.904 . 0 0 "[ . 1 . 2]" 5
614 2 42 VAL H 2 42 VAL MG2 4.200 . 4.700 2.495 2.157 2.904 . 0 0 "[ . 1 . 2]" 5
615 1 23 HIS HB3 1 43 THR HA 5.500 . 5.500 4.455 4.027 5.422 . 0 0 "[ . 1 . 2]" 5
616 2 23 HIS HB3 2 43 THR HA 5.500 . 5.500 4.456 4.027 5.421 . 0 0 "[ . 1 . 2]" 5
617 1 24 ILE HA 1 43 THR HA 2.700 . 2.700 2.231 1.879 2.635 . 0 0 "[ . 1 . 2]" 5
618 2 24 ILE HA 2 43 THR HA 2.700 . 2.700 2.231 1.878 2.634 . 0 0 "[ . 1 . 2]" 5
619 1 24 ILE HB 1 43 THR HA 5.500 . 5.500 5.171 4.881 5.493 . 0 0 "[ . 1 . 2]" 5
620 2 24 ILE HB 2 43 THR HA 5.500 . 5.500 5.171 4.881 5.493 . 0 0 "[ . 1 . 2]" 5
621 1 24 ILE QG 1 43 THR HA 5.500 . 6.500 3.977 3.525 4.528 . 0 0 "[ . 1 . 2]" 5
622 2 24 ILE QG 2 43 THR HA 5.500 . 6.500 3.977 3.523 4.528 . 0 0 "[ . 1 . 2]" 5
623 1 24 ILE MG 1 43 THR HA 5.500 . 6.000 3.859 3.161 4.235 . 0 0 "[ . 1 . 2]" 5
624 2 24 ILE MG 2 43 THR HA 5.500 . 6.000 3.860 3.161 4.235 . 0 0 "[ . 1 . 2]" 5
625 1 42 VAL HA 1 43 THR HA 5.500 . 5.500 4.453 4.445 4.461 . 0 0 "[ . 1 . 2]" 5
626 2 42 VAL HA 2 43 THR HA 5.500 . 5.500 4.452 4.446 4.460 . 0 0 "[ . 1 . 2]" 5
627 1 43 THR HA 1 43 THR HB 2.700 . 2.700 2.465 2.364 2.576 . 0 0 "[ . 1 . 2]" 5
628 2 43 THR HA 2 43 THR HB 2.700 . 2.700 2.465 2.363 2.576 . 0 0 "[ . 1 . 2]" 5
629 1 43 THR HA 1 44 ARG HA 5.500 . 5.500 4.377 4.364 4.418 . 0 0 "[ . 1 . 2]" 5
630 2 43 THR HA 2 44 ARG HA 5.500 . 5.500 4.377 4.363 4.419 . 0 0 "[ . 1 . 2]" 5
631 1 43 THR HA 1 44 ARG QB 5.500 . 6.500 4.845 4.744 4.968 . 0 0 "[ . 1 . 2]" 5
632 2 43 THR HA 2 44 ARG QB 5.500 . 6.500 4.845 4.743 4.968 . 0 0 "[ . 1 . 2]" 5
633 1 23 HIS HB3 1 43 THR HB 4.200 . 4.200 2.804 2.051 3.774 . 0 0 "[ . 1 . 2]" 5
634 2 23 HIS HB3 2 43 THR HB 4.200 . 4.200 2.804 2.051 3.774 . 0 0 "[ . 1 . 2]" 5
635 1 23 HIS HB2 1 43 THR HB 5.500 . 5.500 4.047 3.672 4.364 . 0 0 "[ . 1 . 2]" 5
636 2 23 HIS HB2 2 43 THR HB 5.500 . 5.500 4.047 3.672 4.363 . 0 0 "[ . 1 . 2]" 5
637 1 24 ILE HA 1 43 THR HB 5.500 . 5.500 3.849 3.290 4.350 . 0 0 "[ . 1 . 2]" 5
638 2 24 ILE HA 2 43 THR HB 5.500 . 5.500 3.849 3.289 4.350 . 0 0 "[ . 1 . 2]" 5
639 1 43 THR HB 1 44 ARG HA 5.500 . 5.500 4.769 4.547 5.060 . 0 0 "[ . 1 . 2]" 5
640 2 43 THR HB 2 44 ARG HA 5.500 . 5.500 4.769 4.547 5.059 . 0 0 "[ . 1 . 2]" 5
641 1 43 THR HG1 1 47 ARG HB2 4.200 . 4.200 2.162 1.948 2.405 . 0 0 "[ . 1 . 2]" 5
642 2 43 THR HG1 2 47 ARG HB2 4.200 . 4.200 2.162 1.947 2.404 . 0 0 "[ . 1 . 2]" 5
643 1 43 THR HG1 1 47 ARG HB3 4.200 . 4.200 3.364 2.467 4.039 . 0 0 "[ . 1 . 2]" 5
644 2 43 THR HG1 2 47 ARG HB3 4.200 . 4.200 3.364 2.467 4.040 . 0 0 "[ . 1 . 2]" 5
645 1 19 LEU QD 1 43 THR MG 4.200 . 6.200 3.313 3.045 3.517 . 0 0 "[ . 1 . 2]" 5
646 2 19 LEU QD 2 43 THR MG 4.200 . 6.200 3.313 3.046 3.517 . 0 0 "[ . 1 . 2]" 5
647 1 24 ILE MD 1 43 THR MG 5.500 . 6.500 4.107 3.715 4.446 . 0 0 "[ . 1 . 2]" 5
648 2 24 ILE MD 2 43 THR MG 5.500 . 6.500 4.107 3.715 4.446 . 0 0 "[ . 1 . 2]" 5
649 1 24 ILE QG 1 43 THR MG 5.500 . 7.000 2.773 2.379 3.184 . 0 0 "[ . 1 . 2]" 5
650 2 24 ILE QG 2 43 THR MG 5.500 . 7.000 2.773 2.378 3.183 . 0 0 "[ . 1 . 2]" 5
651 1 26 GLU H 1 43 THR H 5.500 . 5.500 5.235 5.168 5.301 . 0 0 "[ . 1 . 2]" 5
652 2 26 GLU H 2 43 THR H 5.500 . 5.500 5.235 5.169 5.301 . 0 0 "[ . 1 . 2]" 5
653 1 42 VAL HA 1 43 THR H 2.700 . 2.700 2.190 2.186 2.193 . 0 0 "[ . 1 . 2]" 5
654 2 42 VAL HA 2 43 THR H 2.700 . 2.700 2.189 2.186 2.194 . 0 0 "[ . 1 . 2]" 5
655 1 42 VAL MG1 1 43 THR H 4.200 . 4.700 2.737 2.564 2.924 . 0 0 "[ . 1 . 2]" 5
656 2 42 VAL MG1 2 43 THR H 4.200 . 4.700 2.737 2.563 2.924 . 0 0 "[ . 1 . 2]" 5
657 1 42 VAL MG2 1 43 THR H 5.500 . 6.000 4.183 3.963 4.293 . 0 0 "[ . 1 . 2]" 5
658 2 42 VAL MG2 2 43 THR H 5.500 . 6.000 4.183 3.964 4.292 . 0 0 "[ . 1 . 2]" 5
659 1 43 THR H 1 43 THR HG1 5.500 . 5.500 3.226 1.896 3.602 . 0 0 "[ . 1 . 2]" 5
660 2 43 THR H 2 43 THR HG1 5.500 . 5.500 3.226 1.895 3.602 . 0 0 "[ . 1 . 2]" 5
661 1 43 THR H 1 43 THR MG 4.200 . 4.700 2.471 2.125 2.832 . 0 0 "[ . 1 . 2]" 5
662 2 43 THR H 2 43 THR MG 4.200 . 4.700 2.471 2.126 2.832 . 0 0 "[ . 1 . 2]" 5
663 1 43 THR H 1 46 ASN H 5.500 . 5.500 4.651 4.282 4.874 . 0 0 "[ . 1 . 2]" 5
664 2 43 THR H 2 46 ASN H 5.500 . 5.500 4.651 4.283 4.875 . 0 0 "[ . 1 . 2]" 5
665 1 43 THR H 1 47 ARG HA 5.500 . 5.500 4.731 4.563 4.873 . 0 0 "[ . 1 . 2]" 5
666 2 43 THR H 2 47 ARG HA 5.500 . 5.500 4.731 4.562 4.873 . 0 0 "[ . 1 . 2]" 5
667 1 43 THR H 1 47 ARG QB 5.500 . 6.500 3.140 2.945 3.413 . 0 0 "[ . 1 . 2]" 5
668 2 43 THR H 2 47 ARG QB 5.500 . 6.500 3.140 2.944 3.412 . 0 0 "[ . 1 . 2]" 5
669 1 43 THR H 1 47 ARG H 4.200 . 4.200 2.978 2.760 3.171 . 0 0 "[ . 1 . 2]" 5
670 2 43 THR H 2 47 ARG H 4.200 . 4.200 2.978 2.760 3.171 . 0 0 "[ . 1 . 2]" 5
671 1 43 THR H 1 48 GLN HA 5.500 . 5.500 4.039 3.659 4.156 . 0 0 "[ . 1 . 2]" 5
672 2 43 THR H 2 48 GLN HA 5.500 . 5.500 4.039 3.659 4.155 . 0 0 "[ . 1 . 2]" 5
673 1 43 THR H 1 48 GLN H 5.500 . 5.500 5.130 4.913 5.219 . 0 0 "[ . 1 . 2]" 5
674 2 43 THR H 2 48 GLN H 5.500 . 5.500 5.129 4.912 5.217 . 0 0 "[ . 1 . 2]" 5
675 1 43 THR H 1 49 VAL H 5.500 . 5.500 4.908 4.289 5.491 . 0 0 "[ . 1 . 2]" 5
676 2 43 THR H 2 49 VAL H 5.500 . 5.500 4.909 4.288 5.491 . 0 0 "[ . 1 . 2]" 5
677 1 44 ARG HA 1 44 ARG HE 5.500 . 5.500 4.684 3.780 5.482 . 0 0 "[ . 1 . 2]" 5
678 2 44 ARG HA 2 44 ARG HE 5.500 . 5.500 4.684 3.780 5.481 . 0 0 "[ . 1 . 2]" 5
679 1 44 ARG HB3 1 44 ARG HE 5.500 . 5.500 3.592 1.881 5.351 . 0 0 "[ . 1 . 2]" 5
680 2 44 ARG HB3 2 44 ARG HE 5.500 . 5.500 3.592 1.881 5.351 . 0 0 "[ . 1 . 2]" 5
681 1 44 ARG HB2 1 44 ARG HE 5.500 . 5.500 3.854 1.878 4.880 . 0 0 "[ . 1 . 2]" 5
682 2 44 ARG HB2 2 44 ARG HE 5.500 . 5.500 3.854 1.877 4.878 . 0 0 "[ . 1 . 2]" 5
683 1 23 HIS HA 1 44 ARG H 5.500 . 5.500 3.793 3.293 4.814 . 0 0 "[ . 1 . 2]" 5
684 2 23 HIS HA 2 44 ARG H 5.500 . 5.500 3.793 3.293 4.814 . 0 0 "[ . 1 . 2]" 5
685 1 23 HIS HB3 1 44 ARG H 5.500 . 5.500 3.758 3.354 4.251 . 0 0 "[ . 1 . 2]" 5
686 2 23 HIS HB3 2 44 ARG H 5.500 . 5.500 3.758 3.353 4.250 . 0 0 "[ . 1 . 2]" 5
687 1 24 ILE HA 1 44 ARG H 5.500 . 5.500 4.314 3.862 4.823 . 0 0 "[ . 1 . 2]" 5
688 2 24 ILE HA 2 44 ARG H 5.500 . 5.500 4.314 3.862 4.823 . 0 0 "[ . 1 . 2]" 5
689 1 43 THR HA 1 44 ARG H 3.300 . 3.300 2.655 2.485 2.930 . 0 0 "[ . 1 . 2]" 5
690 2 43 THR HA 2 44 ARG H 3.300 . 3.300 2.655 2.486 2.930 . 0 0 "[ . 1 . 2]" 5
691 1 43 THR HB 1 44 ARG H 2.700 . 2.700 2.138 1.880 2.502 . 0 0 "[ . 1 . 2]" 5
692 2 43 THR HB 2 44 ARG H 2.700 . 2.700 2.138 1.880 2.502 . 0 0 "[ . 1 . 2]" 5
693 1 43 THR HG1 1 44 ARG H 5.500 . 5.500 3.775 3.156 4.278 . 0 0 "[ . 1 . 2]" 5
694 2 43 THR HG1 2 44 ARG H 5.500 . 5.500 3.775 3.157 4.278 . 0 0 "[ . 1 . 2]" 5
695 1 43 THR MG 1 44 ARG H 5.500 . 6.000 3.668 3.411 3.955 . 0 0 "[ . 1 . 2]" 5
696 2 43 THR MG 2 44 ARG H 5.500 . 6.000 3.668 3.411 3.955 . 0 0 "[ . 1 . 2]" 5
697 1 44 ARG H 1 45 LYS QG 5.500 . 6.500 4.197 3.456 5.698 . 0 0 "[ . 1 . 2]" 5
698 2 44 ARG H 2 45 LYS QG 5.500 . 6.500 4.197 3.456 5.699 . 0 0 "[ . 1 . 2]" 5
699 1 44 ARG H 1 45 LYS H 4.200 . 4.200 2.547 2.276 2.701 . 0 0 "[ . 1 . 2]" 5
700 2 44 ARG H 2 45 LYS H 4.200 . 4.200 2.547 2.275 2.702 . 0 0 "[ . 1 . 2]" 5
701 1 43 THR HA 1 45 LYS H 5.500 . 5.500 4.194 3.990 4.548 . 0 0 "[ . 1 . 2]" 5
702 2 43 THR HA 2 45 LYS H 5.500 . 5.500 4.194 3.992 4.547 . 0 0 "[ . 1 . 2]" 5
703 1 43 THR HB 1 45 LYS H 4.200 . 4.200 2.903 2.568 3.223 . 0 0 "[ . 1 . 2]" 5
704 2 43 THR HB 2 45 LYS H 4.200 . 4.200 2.904 2.569 3.223 . 0 0 "[ . 1 . 2]" 5
705 1 43 THR HG1 1 45 LYS H 5.500 . 5.500 2.689 2.024 3.323 . 0 0 "[ . 1 . 2]" 5
706 2 43 THR HG1 2 45 LYS H 5.500 . 5.500 2.689 2.026 3.324 . 0 0 "[ . 1 . 2]" 5
707 1 43 THR MG 1 45 LYS H 5.500 . 6.000 4.126 3.998 4.198 . 0 0 "[ . 1 . 2]" 5
708 2 43 THR MG 2 45 LYS H 5.500 . 6.000 4.126 3.997 4.199 . 0 0 "[ . 1 . 2]" 5
709 1 45 LYS H 1 45 LYS HG2 4.200 . 4.200 3.428 1.987 4.204 0.004 17 0 "[ . 1 . 2]" 5
710 2 45 LYS H 2 45 LYS HG2 4.200 . 4.200 3.428 1.988 4.206 0.006 17 0 "[ . 1 . 2]" 5
711 1 45 LYS H 1 45 LYS HG3 4.200 . 4.200 3.105 2.101 4.161 . 0 0 "[ . 1 . 2]" 5
712 2 45 LYS H 2 45 LYS HG3 4.200 . 4.200 3.105 2.101 4.160 . 0 0 "[ . 1 . 2]" 5
713 1 45 LYS H 1 46 ASN HA 5.500 . 5.500 4.949 4.837 5.023 . 0 0 "[ . 1 . 2]" 5
714 2 45 LYS H 2 46 ASN HA 5.500 . 5.500 4.949 4.837 5.024 . 0 0 "[ . 1 . 2]" 5
715 1 45 LYS H 1 47 ARG H 4.200 . 4.200 3.305 3.204 3.371 . 0 0 "[ . 1 . 2]" 5
716 2 45 LYS H 2 47 ARG H 4.200 . 4.200 3.305 3.203 3.371 . 0 0 "[ . 1 . 2]" 5
717 1 42 VAL MG1 1 46 ASN HA 4.200 . 4.700 2.690 2.463 2.827 . 0 0 "[ . 1 . 2]" 5
718 2 42 VAL MG1 2 46 ASN HA 4.200 . 4.700 2.690 2.461 2.827 . 0 0 "[ . 1 . 2]" 5
719 1 42 VAL MG1 1 46 ASN HB3 5.500 . 6.000 4.755 4.246 5.040 . 0 0 "[ . 1 . 2]" 5
720 2 42 VAL MG1 2 46 ASN HB3 5.500 . 6.000 4.755 4.245 5.040 . 0 0 "[ . 1 . 2]" 5
721 1 42 VAL MG1 1 46 ASN HB2 5.500 . 6.000 4.931 4.642 5.049 . 0 0 "[ . 1 . 2]" 5
722 2 42 VAL MG1 2 46 ASN HB2 5.500 . 6.000 4.931 4.642 5.050 . 0 0 "[ . 1 . 2]" 5
723 1 46 ASN HA 1 46 ASN HD22 5.500 . 5.500 4.086 3.493 4.820 . 0 0 "[ . 1 . 2]" 5
724 2 46 ASN HA 2 46 ASN HD22 5.500 . 5.500 4.086 3.493 4.819 . 0 0 "[ . 1 . 2]" 5
725 1 42 VAL MG1 1 46 ASN H 5.500 . 6.000 3.706 3.502 3.913 . 0 0 "[ . 1 . 2]" 5
726 2 42 VAL MG1 2 46 ASN H 5.500 . 6.000 3.706 3.503 3.913 . 0 0 "[ . 1 . 2]" 5
727 1 44 ARG HA 1 46 ASN H 4.200 . 4.200 3.396 3.336 3.450 . 0 0 "[ . 1 . 2]" 5
728 2 44 ARG HA 2 46 ASN H 4.200 . 4.200 3.396 3.336 3.451 . 0 0 "[ . 1 . 2]" 5
729 1 45 LYS H 1 46 ASN H 4.200 . 4.200 2.933 2.658 3.088 . 0 0 "[ . 1 . 2]" 5
730 2 45 LYS H 2 46 ASN H 4.200 . 4.200 2.932 2.659 3.088 . 0 0 "[ . 1 . 2]" 5
731 1 46 ASN H 1 47 ARG H 4.200 . 4.200 2.797 2.618 2.874 . 0 0 "[ . 1 . 2]" 5
732 2 46 ASN H 2 47 ARG H 4.200 . 4.200 2.797 2.620 2.873 . 0 0 "[ . 1 . 2]" 5
733 1 47 ARG HA 1 47 ARG HD3 4.200 . 4.200 3.592 2.671 4.180 . 0 0 "[ . 1 . 2]" 5
734 2 47 ARG HA 2 47 ARG HD3 4.200 . 4.200 3.592 2.669 4.179 . 0 0 "[ . 1 . 2]" 5
735 1 47 ARG HA 1 47 ARG HD2 4.200 . 4.200 3.215 1.921 4.191 . 0 0 "[ . 1 . 2]" 5
736 2 47 ARG HA 2 47 ARG HD2 4.200 . 4.200 3.215 1.920 4.190 . 0 0 "[ . 1 . 2]" 5
737 1 43 THR MG 1 47 ARG QB 5.500 . 7.000 2.864 2.201 3.495 . 0 0 "[ . 1 . 2]" 5
738 2 43 THR MG 2 47 ARG QB 5.500 . 7.000 2.864 2.203 3.495 . 0 0 "[ . 1 . 2]" 5
739 1 47 ARG HA 1 47 ARG HE 5.500 . 5.500 4.652 1.874 5.340 . 0 0 "[ . 1 . 2]" 5
740 2 47 ARG HA 2 47 ARG HE 5.500 . 5.500 4.652 1.875 5.340 . 0 0 "[ . 1 . 2]" 5
741 1 47 ARG HB2 1 47 ARG HE 4.200 . 4.200 3.834 2.986 4.204 0.004 4 0 "[ . 1 . 2]" 5
742 2 47 ARG HB2 2 47 ARG HE 4.200 . 4.200 3.834 2.985 4.204 0.004 4 0 "[ . 1 . 2]" 5
743 1 47 ARG HB3 1 47 ARG HE 4.200 . 4.200 3.382 2.215 4.201 0.001 8 0 "[ . 1 . 2]" 5
744 2 47 ARG HB3 2 47 ARG HE 4.200 . 4.200 3.381 2.214 4.202 0.002 8 0 "[ . 1 . 2]" 5
745 1 42 VAL HA 1 47 ARG H 5.500 . 5.500 4.341 4.144 4.577 . 0 0 "[ . 1 . 2]" 5
746 2 42 VAL HA 2 47 ARG H 5.500 . 5.500 4.341 4.143 4.578 . 0 0 "[ . 1 . 2]" 5
747 1 42 VAL MG1 1 47 ARG H 5.500 . 6.000 3.335 3.203 3.611 . 0 0 "[ . 1 . 2]" 5
748 2 42 VAL MG1 2 47 ARG H 5.500 . 6.000 3.335 3.203 3.611 . 0 0 "[ . 1 . 2]" 5
749 1 43 THR HA 1 47 ARG H 5.500 . 5.500 5.040 4.808 5.278 . 0 0 "[ . 1 . 2]" 5
750 2 43 THR HA 2 47 ARG H 5.500 . 5.500 5.040 4.808 5.280 . 0 0 "[ . 1 . 2]" 5
751 1 43 THR HB 1 47 ARG H 5.500 . 5.500 4.612 4.203 4.858 . 0 0 "[ . 1 . 2]" 5
752 2 43 THR HB 2 47 ARG H 5.500 . 5.500 4.612 4.203 4.859 . 0 0 "[ . 1 . 2]" 5
753 1 43 THR HG1 1 47 ARG H 4.200 . 4.200 3.083 2.222 3.526 . 0 0 "[ . 1 . 2]" 5
754 2 43 THR HG1 2 47 ARG H 4.200 . 4.200 3.084 2.224 3.527 . 0 0 "[ . 1 . 2]" 5
755 1 43 THR MG 1 47 ARG H 5.500 . 6.000 4.158 3.559 4.526 . 0 0 "[ . 1 . 2]" 5
756 2 43 THR MG 2 47 ARG H 5.500 . 6.000 4.158 3.560 4.527 . 0 0 "[ . 1 . 2]" 5
757 1 47 ARG H 1 47 ARG HD2 5.500 . 5.500 4.593 2.340 5.048 . 0 0 "[ . 1 . 2]" 5
758 2 47 ARG H 2 47 ARG HD2 5.500 . 5.500 4.593 2.340 5.049 . 0 0 "[ . 1 . 2]" 5
759 1 47 ARG H 1 47 ARG HD3 5.500 . 5.500 4.666 3.702 5.504 0.004 4 0 "[ . 1 . 2]" 5
760 2 47 ARG H 2 47 ARG HD3 5.500 . 5.500 4.666 3.701 5.503 0.003 4 0 "[ . 1 . 2]" 5
761 1 40 VAL MG1 1 48 GLN HA 4.200 . 4.700 3.029 2.712 3.316 . 0 0 "[ . 1 . 2]" 5
762 2 40 VAL MG1 2 48 GLN HA 4.200 . 4.700 3.029 2.712 3.316 . 0 0 "[ . 1 . 2]" 5
763 1 42 VAL MG1 1 48 GLN HA 5.500 . 6.000 3.379 3.049 3.653 . 0 0 "[ . 1 . 2]" 5
764 2 42 VAL MG1 2 48 GLN HA 5.500 . 6.000 3.379 3.048 3.653 . 0 0 "[ . 1 . 2]" 5
765 1 42 VAL MG2 1 48 GLN HA 5.500 . 6.000 2.684 2.047 3.063 . 0 0 "[ . 1 . 2]" 5
766 2 42 VAL MG2 2 48 GLN HA 5.500 . 6.000 2.684 2.047 3.063 . 0 0 "[ . 1 . 2]" 5
767 1 48 GLN HA 1 49 VAL MG2 5.500 . 6.000 3.888 3.519 4.196 . 0 0 "[ . 1 . 2]" 5
768 2 48 GLN HA 2 49 VAL MG2 5.500 . 6.000 3.888 3.518 4.196 . 0 0 "[ . 1 . 2]" 5
769 1 40 VAL MG1 1 48 GLN HB3 4.200 . 4.700 2.347 1.850 2.772 . 0 0 "[ . 1 . 2]" 5
770 2 40 VAL MG1 2 48 GLN HB3 4.200 . 4.700 2.347 1.851 2.773 . 0 0 "[ . 1 . 2]" 5
771 1 40 VAL MG2 1 48 GLN HB3 5.500 . 6.000 3.919 3.566 4.236 . 0 0 "[ . 1 . 2]" 5
772 2 40 VAL MG2 2 48 GLN HB3 5.500 . 6.000 3.919 3.566 4.238 . 0 0 "[ . 1 . 2]" 5
773 1 40 VAL MG1 1 48 GLN HB2 5.500 . 6.000 3.701 3.179 4.173 . 0 0 "[ . 1 . 2]" 5
774 2 40 VAL MG1 2 48 GLN HB2 5.500 . 6.000 3.701 3.180 4.172 . 0 0 "[ . 1 . 2]" 5
775 1 48 GLN HB3 1 48 GLN HE22 5.500 . 5.500 4.599 3.820 5.308 . 0 0 "[ . 1 . 2]" 5
776 2 48 GLN HB3 2 48 GLN HE22 5.500 . 5.500 4.599 3.818 5.307 . 0 0 "[ . 1 . 2]" 5
777 1 48 GLN HB2 1 48 GLN HE22 5.500 . 5.500 4.351 3.461 5.401 . 0 0 "[ . 1 . 2]" 5
778 2 48 GLN HB2 2 48 GLN HE22 5.500 . 5.500 4.352 3.461 5.401 . 0 0 "[ . 1 . 2]" 5
779 1 40 VAL MG1 1 48 GLN HG2 5.500 . 6.000 3.399 2.141 4.925 . 0 0 "[ . 1 . 2]" 5
780 2 40 VAL MG1 2 48 GLN HG2 5.500 . 6.000 3.399 2.142 4.925 . 0 0 "[ . 1 . 2]" 5
781 1 40 VAL MG1 1 48 GLN HG3 5.500 . 6.000 3.764 2.712 4.455 . 0 0 "[ . 1 . 2]" 5
782 2 40 VAL MG1 2 48 GLN HG3 5.500 . 6.000 3.764 2.711 4.456 . 0 0 "[ . 1 . 2]" 5
783 1 42 VAL MG1 1 48 GLN QG 5.500 . 7.000 2.840 2.175 4.162 . 0 0 "[ . 1 . 2]" 5
784 2 42 VAL MG1 2 48 GLN QG 5.500 . 7.000 2.840 2.176 4.163 . 0 0 "[ . 1 . 2]" 5
785 1 42 VAL MG2 1 48 GLN QG 5.500 . 7.000 2.674 1.766 4.054 0.034 20 0 "[ . 1 . 2]" 5
786 2 42 VAL MG2 2 48 GLN QG 5.500 . 7.000 2.674 1.766 4.054 0.034 20 0 "[ . 1 . 2]" 5
787 1 47 ARG HA 1 48 GLN H 2.700 . 2.700 2.193 2.189 2.204 . 0 0 "[ . 1 . 2]" 5
788 2 47 ARG HA 2 48 GLN H 2.700 . 2.700 2.193 2.189 2.203 . 0 0 "[ . 1 . 2]" 5
789 1 48 GLN H 1 48 GLN HE22 5.500 . 5.500 5.072 4.094 5.483 . 0 0 "[ . 1 . 2]" 5
790 2 48 GLN H 2 48 GLN HE22 5.500 . 5.500 5.072 4.095 5.483 . 0 0 "[ . 1 . 2]" 5
791 1 19 LEU QD 1 49 VAL HB 4.200 . 5.700 2.793 2.232 3.454 . 0 0 "[ . 1 . 2]" 5
792 2 19 LEU QD 2 49 VAL HB 4.200 . 5.700 2.793 2.233 3.453 . 0 0 "[ . 1 . 2]" 5
793 1 19 LEU QD 1 49 VAL MG1 4.200 . 6.200 2.380 1.882 3.084 . 0 0 "[ . 1 . 2]" 5
794 2 19 LEU QD 2 49 VAL MG1 4.200 . 6.200 2.380 1.881 3.084 . 0 0 "[ . 1 . 2]" 5
795 1 40 VAL MG1 1 49 VAL H 4.200 . 4.700 2.750 2.386 3.245 . 0 0 "[ . 1 . 2]" 5
796 2 40 VAL MG1 2 49 VAL H 4.200 . 4.700 2.751 2.386 3.245 . 0 0 "[ . 1 . 2]" 5
797 1 41 PHE HB2 1 49 VAL H 5.500 . 5.500 3.645 2.988 3.916 . 0 0 "[ . 1 . 2]" 5
798 2 41 PHE HB2 2 49 VAL H 5.500 . 5.500 3.645 2.988 3.918 . 0 0 "[ . 1 . 2]" 5
799 1 42 VAL HA 1 49 VAL H 5.500 . 5.500 3.592 3.131 4.032 . 0 0 "[ . 1 . 2]" 5
800 2 42 VAL HA 2 49 VAL H 5.500 . 5.500 3.593 3.130 4.034 . 0 0 "[ . 1 . 2]" 5
801 1 49 VAL H 1 49 VAL MG2 4.200 . 4.700 2.889 2.554 3.182 . 0 0 "[ . 1 . 2]" 5
802 2 49 VAL H 2 49 VAL MG2 4.200 . 4.700 2.889 2.554 3.182 . 0 0 "[ . 1 . 2]" 5
803 1 40 VAL HA 1 50 CYS HA 2.700 . 2.700 2.578 2.341 2.704 0.004 16 0 "[ . 1 . 2]" 5
804 2 40 VAL HA 2 50 CYS HA 2.700 . 2.700 2.578 2.340 2.703 0.003 16 0 "[ . 1 . 2]" 5
805 1 40 VAL MG2 1 50 CYS HA 4.200 . 4.700 2.852 2.465 3.190 . 0 0 "[ . 1 . 2]" 5
806 2 40 VAL MG2 2 50 CYS HA 4.200 . 4.700 2.852 2.465 3.190 . 0 0 "[ . 1 . 2]" 5
807 1 50 CYS HA 1 50 CYS HB3 2.700 . 2.700 2.427 2.387 2.466 . 0 0 "[ . 1 . 2]" 5
808 2 50 CYS HA 2 50 CYS HB3 2.700 . 2.700 2.427 2.387 2.465 . 0 0 "[ . 1 . 2]" 5
809 1 11 CYS HB3 1 50 CYS HB3 3.300 . 3.300 1.972 1.869 2.187 . 0 0 "[ . 1 . 2]" 5
810 2 11 CYS HB3 2 50 CYS HB3 3.300 . 3.300 1.972 1.869 2.186 . 0 0 "[ . 1 . 2]" 5
811 1 11 CYS HB3 1 50 CYS HB2 5.500 . 5.500 3.442 3.115 3.774 . 0 0 "[ . 1 . 2]" 5
812 2 11 CYS HB3 2 50 CYS HB2 5.500 . 5.500 3.442 3.114 3.774 . 0 0 "[ . 1 . 2]" 5
813 1 11 CYS HB2 1 50 CYS HB2 5.500 . 5.500 4.954 4.508 5.271 . 0 0 "[ . 1 . 2]" 5
814 2 11 CYS HB2 2 50 CYS HB2 5.500 . 5.500 4.954 4.507 5.272 . 0 0 "[ . 1 . 2]" 5
815 1 14 TYR HA 1 50 CYS H 5.500 . 5.500 5.151 4.828 5.501 0.001 13 0 "[ . 1 . 2]" 5
816 2 14 TYR HA 2 50 CYS H 5.500 . 5.500 5.151 4.828 5.501 0.001 13 0 "[ . 1 . 2]" 5
817 1 49 VAL MG1 1 50 CYS H 4.200 . 4.700 2.041 1.759 3.054 0.041 20 0 "[ . 1 . 2]" 5
818 2 49 VAL MG1 2 50 CYS H 4.200 . 4.700 2.041 1.759 3.053 0.041 8 0 "[ . 1 . 2]" 5
819 1 49 VAL MG2 1 50 CYS H 5.500 . 6.000 3.767 3.610 4.156 . 0 0 "[ . 1 . 2]" 5
820 2 49 VAL MG2 2 50 CYS H 5.500 . 6.000 3.768 3.610 4.156 . 0 0 "[ . 1 . 2]" 5
821 1 14 TYR HB3 1 51 ALA HA 4.200 . 4.200 3.593 3.012 4.007 . 0 0 "[ . 1 . 2]" 5
822 2 14 TYR HB3 2 51 ALA HA 4.200 . 4.200 3.593 3.012 4.007 . 0 0 "[ . 1 . 2]" 5
823 1 14 TYR HB2 1 51 ALA HA 5.500 . 5.500 5.185 4.579 5.503 0.003 16 0 "[ . 1 . 2]" 5
824 2 14 TYR HB2 2 51 ALA HA 5.500 . 5.500 5.184 4.578 5.503 0.003 16 0 "[ . 1 . 2]" 5
825 1 15 ILE MG 1 51 ALA HA 4.200 . 4.700 2.977 2.665 3.343 . 0 0 "[ . 1 . 2]" 5
826 2 15 ILE MG 2 51 ALA HA 4.200 . 4.700 2.976 2.664 3.343 . 0 0 "[ . 1 . 2]" 5
827 1 51 ALA HA 1 58 VAL MG1 5.500 . 6.000 4.143 3.864 4.371 . 0 0 "[ . 1 . 2]" 5
828 2 51 ALA HA 2 58 VAL MG1 5.500 . 6.000 4.143 3.864 4.370 . 0 0 "[ . 1 . 2]" 5
829 1 51 ALA HA 1 58 VAL MG2 4.200 . 4.700 3.727 3.522 3.811 . 0 0 "[ . 1 . 2]" 5
830 2 51 ALA HA 2 58 VAL MG2 4.200 . 4.700 3.727 3.522 3.811 . 0 0 "[ . 1 . 2]" 5
831 1 39 VAL MG1 1 51 ALA MB 4.200 . 5.200 2.807 2.475 3.142 . 0 0 "[ . 1 . 2]" 5
832 2 39 VAL MG1 2 51 ALA MB 4.200 . 5.200 2.807 2.474 3.142 . 0 0 "[ . 1 . 2]" 5
833 1 51 ALA MB 1 58 VAL MG1 5.500 . 6.500 2.162 1.861 2.478 . 0 0 "[ . 1 . 2]" 5
834 2 51 ALA MB 2 58 VAL MG1 5.500 . 6.500 2.162 1.861 2.478 . 0 0 "[ . 1 . 2]" 5
835 1 51 ALA MB 1 58 VAL MG2 4.200 . 5.200 2.133 1.816 2.402 . 0 0 "[ . 1 . 2]" 5
836 2 51 ALA MB 2 58 VAL MG2 4.200 . 5.200 2.133 1.816 2.402 . 0 0 "[ . 1 . 2]" 5
837 1 38 ALA MB 1 51 ALA H 5.500 . 6.000 3.581 3.377 3.857 . 0 0 "[ . 1 . 2]" 5
838 2 38 ALA MB 2 51 ALA H 5.500 . 6.000 3.581 3.377 3.856 . 0 0 "[ . 1 . 2]" 5
839 1 39 VAL HB 1 51 ALA H 5.500 . 5.500 3.301 2.964 3.502 . 0 0 "[ . 1 . 2]" 5
840 2 39 VAL HB 2 51 ALA H 5.500 . 5.500 3.301 2.964 3.503 . 0 0 "[ . 1 . 2]" 5
841 1 39 VAL MG1 1 51 ALA H 4.200 . 4.700 3.600 3.413 3.733 . 0 0 "[ . 1 . 2]" 5
842 2 39 VAL MG1 2 51 ALA H 4.200 . 4.700 3.600 3.413 3.733 . 0 0 "[ . 1 . 2]" 5
843 1 39 VAL MG2 1 51 ALA H 5.500 . 6.000 4.749 4.470 4.925 . 0 0 "[ . 1 . 2]" 5
844 2 39 VAL MG2 2 51 ALA H 5.500 . 6.000 4.749 4.471 4.925 . 0 0 "[ . 1 . 2]" 5
845 1 39 VAL H 1 51 ALA H 5.500 . 5.500 3.263 2.745 3.724 . 0 0 "[ . 1 . 2]" 5
846 2 39 VAL H 2 51 ALA H 5.500 . 5.500 3.263 2.745 3.724 . 0 0 "[ . 1 . 2]" 5
847 1 40 VAL HA 1 51 ALA H 5.500 . 5.500 3.316 2.929 3.721 . 0 0 "[ . 1 . 2]" 5
848 2 40 VAL HA 2 51 ALA H 5.500 . 5.500 3.316 2.929 3.721 . 0 0 "[ . 1 . 2]" 5
849 1 40 VAL MG2 1 51 ALA H 5.500 . 6.000 3.936 3.679 4.315 . 0 0 "[ . 1 . 2]" 5
850 2 40 VAL MG2 2 51 ALA H 5.500 . 6.000 3.936 3.679 4.315 . 0 0 "[ . 1 . 2]" 5
851 1 41 PHE H 1 51 ALA H 5.500 . 5.500 4.343 3.892 4.895 . 0 0 "[ . 1 . 2]" 5
852 2 41 PHE H 2 51 ALA H 5.500 . 5.500 4.343 3.891 4.896 . 0 0 "[ . 1 . 2]" 5
853 1 50 CYS HA 1 51 ALA H 3.300 . 3.300 2.218 2.191 2.269 . 0 0 "[ . 1 . 2]" 5
854 2 50 CYS HA 2 51 ALA H 3.300 . 3.300 2.218 2.191 2.269 . 0 0 "[ . 1 . 2]" 5
855 1 50 CYS HB2 1 51 ALA H 4.200 . 4.200 4.081 3.923 4.204 0.004 7 0 "[ . 1 . 2]" 5
856 2 50 CYS HB2 2 51 ALA H 4.200 . 4.200 4.080 3.922 4.203 0.003 7 0 "[ . 1 . 2]" 5
857 1 52 ASN HA 1 52 ASN HD22 5.500 . 5.500 4.266 3.555 4.353 . 0 0 "[ . 1 . 2]" 5
858 2 52 ASN HA 2 52 ASN HD22 5.500 . 5.500 4.266 3.554 4.353 . 0 0 "[ . 1 . 2]" 5
859 1 52 ASN HD22 1 54 GLU HB3 5.500 . 5.500 4.970 4.268 5.501 0.001 19 0 "[ . 1 . 2]" 5
860 2 52 ASN HD22 2 54 GLU HB3 5.500 . 5.500 4.970 4.267 5.500 0.000 19 0 "[ . 1 . 2]" 5
861 1 52 ASN HD22 1 54 GLU HB2 5.500 . 5.500 3.619 2.733 4.274 . 0 0 "[ . 1 . 2]" 5
862 2 52 ASN HD22 2 54 GLU HB2 5.500 . 5.500 3.619 2.734 4.274 . 0 0 "[ . 1 . 2]" 5
863 1 14 TYR HB3 1 52 ASN H 5.500 . 5.500 2.796 2.432 3.302 . 0 0 "[ . 1 . 2]" 5
864 2 14 TYR HB3 2 52 ASN H 5.500 . 5.500 2.796 2.433 3.302 . 0 0 "[ . 1 . 2]" 5
865 1 14 TYR HB2 1 52 ASN H 5.500 . 5.500 4.502 4.119 4.982 . 0 0 "[ . 1 . 2]" 5
866 2 14 TYR HB2 2 52 ASN H 5.500 . 5.500 4.502 4.119 4.980 . 0 0 "[ . 1 . 2]" 5
867 1 51 ALA HA 1 52 ASN H 2.700 . 2.700 2.247 2.213 2.342 . 0 0 "[ . 1 . 2]" 5
868 2 51 ALA HA 2 52 ASN H 2.700 . 2.700 2.247 2.213 2.341 . 0 0 "[ . 1 . 2]" 5
869 1 52 ASN H 1 52 ASN HD21 5.500 . 5.500 5.071 4.575 5.126 . 0 0 "[ . 1 . 2]" 5
870 2 52 ASN H 2 52 ASN HD21 5.500 . 5.500 5.071 4.575 5.125 . 0 0 "[ . 1 . 2]" 5
871 1 52 ASN H 1 58 VAL MG1 5.500 . 6.000 3.585 3.261 3.859 . 0 0 "[ . 1 . 2]" 5
872 2 52 ASN H 2 58 VAL MG1 5.500 . 6.000 3.585 3.261 3.858 . 0 0 "[ . 1 . 2]" 5
873 1 52 ASN H 1 58 VAL MG2 4.200 . 4.700 3.074 2.710 3.304 . 0 0 "[ . 1 . 2]" 5
874 2 52 ASN H 2 58 VAL MG2 4.200 . 4.700 3.074 2.708 3.304 . 0 0 "[ . 1 . 2]" 5
875 1 39 VAL HB 1 53 PRO HA 5.500 . 5.500 4.938 4.730 5.288 . 0 0 "[ . 1 . 2]" 5
876 2 39 VAL HB 2 53 PRO HA 5.500 . 5.500 4.938 4.731 5.288 . 0 0 "[ . 1 . 2]" 5
877 1 39 VAL MG2 1 53 PRO HA 4.200 . 4.700 3.570 3.443 3.639 . 0 0 "[ . 1 . 2]" 5
878 2 39 VAL MG2 2 53 PRO HA 4.200 . 4.700 3.570 3.444 3.641 . 0 0 "[ . 1 . 2]" 5
879 1 53 PRO HA 1 58 VAL HB 3.300 . 3.300 3.226 2.840 3.314 0.014 15 0 "[ . 1 . 2]" 5
880 2 53 PRO HA 2 58 VAL HB 3.300 . 3.300 3.226 2.841 3.314 0.014 15 0 "[ . 1 . 2]" 5
881 1 53 PRO HA 1 58 VAL MG1 4.200 . 4.700 2.125 1.843 2.450 . 0 0 "[ . 1 . 2]" 5
882 2 53 PRO HA 2 58 VAL MG1 4.200 . 4.700 2.125 1.843 2.449 . 0 0 "[ . 1 . 2]" 5
883 1 53 PRO HA 1 58 VAL MG2 5.500 . 6.000 4.052 3.828 4.255 . 0 0 "[ . 1 . 2]" 5
884 2 53 PRO HA 2 58 VAL MG2 5.500 . 6.000 4.052 3.829 4.256 . 0 0 "[ . 1 . 2]" 5
885 1 39 VAL MG2 1 53 PRO HG3 5.500 . 6.000 3.251 2.983 3.602 . 0 0 "[ . 1 . 2]" 5
886 2 39 VAL MG2 2 53 PRO HG3 5.500 . 6.000 3.251 2.983 3.602 . 0 0 "[ . 1 . 2]" 5
887 1 39 VAL MG2 1 53 PRO HG2 5.500 . 6.000 4.576 4.358 4.866 . 0 0 "[ . 1 . 2]" 5
888 2 39 VAL MG2 2 53 PRO HG2 5.500 . 6.000 4.576 4.359 4.866 . 0 0 "[ . 1 . 2]" 5
889 1 54 GLU HA 1 54 GLU HB3 2.700 . 2.700 2.529 2.405 2.658 . 0 0 "[ . 1 . 2]" 5
890 2 54 GLU HA 2 54 GLU HB3 2.700 . 2.700 2.529 2.405 2.658 . 0 0 "[ . 1 . 2]" 5
891 1 52 ASN HB3 1 54 GLU H 5.500 . 5.500 2.684 2.252 3.351 . 0 0 "[ . 1 . 2]" 5
892 2 52 ASN HB3 2 54 GLU H 5.500 . 5.500 2.683 2.253 3.351 . 0 0 "[ . 1 . 2]" 5
893 1 53 PRO HG2 1 54 GLU H 5.500 . 5.500 4.045 3.397 4.642 . 0 0 "[ . 1 . 2]" 5
894 2 53 PRO HG2 2 54 GLU H 5.500 . 5.500 4.046 3.396 4.643 . 0 0 "[ . 1 . 2]" 5
895 1 53 PRO HG3 1 54 GLU H 5.500 . 5.500 4.972 4.495 5.414 . 0 0 "[ . 1 . 2]" 5
896 2 53 PRO HG3 2 54 GLU H 5.500 . 5.500 4.973 4.495 5.414 . 0 0 "[ . 1 . 2]" 5
897 1 54 GLU H 1 54 GLU HB2 2.700 . 2.700 2.554 2.273 2.704 0.004 15 0 "[ . 1 . 2]" 5
898 2 54 GLU H 2 54 GLU HB2 2.700 . 2.700 2.554 2.273 2.705 0.005 15 0 "[ . 1 . 2]" 5
899 1 54 GLU H 1 54 GLU HG2 4.200 . 4.200 3.696 3.287 4.201 0.001 15 0 "[ . 1 . 2]" 5
900 2 54 GLU H 2 54 GLU HG2 4.200 . 4.200 3.696 3.288 4.201 0.001 19 0 "[ . 1 . 2]" 5
901 1 54 GLU H 1 54 GLU HG3 4.200 . 4.200 3.048 2.270 3.925 . 0 0 "[ . 1 . 2]" 5
902 2 54 GLU H 2 54 GLU HG3 4.200 . 4.200 3.048 2.271 3.927 . 0 0 "[ . 1 . 2]" 5
903 1 54 GLU H 1 55 LYS HA 5.500 . 5.500 4.715 4.394 4.993 . 0 0 "[ . 1 . 2]" 5
904 2 54 GLU H 2 55 LYS HA 5.500 . 5.500 4.714 4.395 4.993 . 0 0 "[ . 1 . 2]" 5
905 1 54 GLU H 1 55 LYS H 3.300 . 3.300 2.437 1.873 2.977 . 0 0 "[ . 1 . 2]" 5
906 2 54 GLU H 2 55 LYS H 3.300 . 3.300 2.437 1.873 2.978 . 0 0 "[ . 1 . 2]" 5
907 1 55 LYS HA 1 55 LYS QE 5.500 . 6.500 3.508 2.111 4.281 . 0 0 "[ . 1 . 2]" 5
908 2 55 LYS HA 2 55 LYS QE 5.500 . 6.500 3.508 2.111 4.282 . 0 0 "[ . 1 . 2]" 5
909 1 53 PRO HA 1 55 LYS H 4.200 . 4.200 3.474 3.294 3.762 . 0 0 "[ . 1 . 2]" 5
910 2 53 PRO HA 2 55 LYS H 4.200 . 4.200 3.474 3.294 3.761 . 0 0 "[ . 1 . 2]" 5
911 1 54 GLU HB2 1 55 LYS H 4.200 . 4.200 3.917 3.729 4.204 0.004 6 0 "[ . 1 . 2]" 5
912 2 54 GLU HB2 2 55 LYS H 4.200 . 4.200 3.917 3.729 4.204 0.004 6 0 "[ . 1 . 2]" 5
913 1 54 GLU HG3 1 55 LYS H 5.500 . 5.500 5.016 4.522 5.435 . 0 0 "[ . 1 . 2]" 5
914 2 54 GLU HG3 2 55 LYS H 5.500 . 5.500 5.016 4.523 5.435 . 0 0 "[ . 1 . 2]" 5
915 1 54 GLU HG2 1 55 LYS H 5.500 . 5.500 5.002 4.737 5.316 . 0 0 "[ . 1 . 2]" 5
916 2 54 GLU HG2 2 55 LYS H 5.500 . 5.500 5.002 4.739 5.316 . 0 0 "[ . 1 . 2]" 5
917 1 55 LYS H 1 58 VAL MG2 5.500 . 6.000 3.318 2.855 3.640 . 0 0 "[ . 1 . 2]" 5
918 2 55 LYS H 2 58 VAL MG2 5.500 . 6.000 3.318 2.855 3.640 . 0 0 "[ . 1 . 2]" 5
919 1 55 LYS H 1 58 VAL H 5.500 . 5.500 4.317 3.932 4.646 . 0 0 "[ . 1 . 2]" 5
920 2 55 LYS H 2 58 VAL H 5.500 . 5.500 4.317 3.932 4.646 . 0 0 "[ . 1 . 2]" 5
921 1 55 LYS HA 1 56 LYS H 2.700 . 2.700 2.665 2.539 2.752 0.052 15 0 "[ . 1 . 2]" 5
922 2 55 LYS HA 2 56 LYS H 2.700 . 2.700 2.665 2.539 2.751 0.051 15 0 "[ . 1 . 2]" 5
923 1 56 LYS H 1 57 TRP HD1 5.500 . 5.500 3.424 2.999 5.399 . 0 0 "[ . 1 . 2]" 5
924 2 56 LYS H 2 57 TRP HD1 5.500 . 5.500 3.424 2.998 5.400 . 0 0 "[ . 1 . 2]" 5
925 1 56 LYS H 1 57 TRP H 4.200 . 4.200 2.285 2.075 4.206 0.006 15 0 "[ . 1 . 2]" 5
926 2 56 LYS H 2 57 TRP H 4.200 . 4.200 2.285 2.075 4.206 0.006 15 0 "[ . 1 . 2]" 5
927 1 56 LYS H 1 58 VAL H 5.500 . 5.500 3.587 3.394 4.279 . 0 0 "[ . 1 . 2]" 5
928 2 56 LYS H 2 58 VAL H 5.500 . 5.500 3.587 3.394 4.280 . 0 0 "[ . 1 . 2]" 5
929 1 57 TRP HA 1 60 GLU HB3 3.300 . 3.300 3.308 3.302 3.320 0.020 5 0 "[ . 1 . 2]" 5
930 2 57 TRP HA 2 60 GLU HB3 3.300 . 3.300 3.308 3.303 3.320 0.020 5 0 "[ . 1 . 2]" 5
931 1 57 TRP HA 1 60 GLU HB2 4.200 . 4.200 1.900 1.862 1.977 . 0 0 "[ . 1 . 2]" 5
932 2 57 TRP HA 2 60 GLU HB2 4.200 . 4.200 1.900 1.861 1.977 . 0 0 "[ . 1 . 2]" 5
933 1 57 TRP HA 1 60 GLU HG3 4.200 . 4.200 3.356 3.146 3.598 . 0 0 "[ . 1 . 2]" 5
934 2 57 TRP HA 2 60 GLU HG3 4.200 . 4.200 3.356 3.145 3.598 . 0 0 "[ . 1 . 2]" 5
935 1 57 TRP HA 1 60 GLU HG2 4.200 . 4.200 4.207 4.195 4.218 0.018 13 0 "[ . 1 . 2]" 5
936 2 57 TRP HA 2 60 GLU HG2 4.200 . 4.200 4.207 4.194 4.220 0.020 13 0 "[ . 1 . 2]" 5
937 1 17 ARG HA 1 57 TRP HD1 5.500 . 5.500 5.456 5.195 5.510 0.010 11 0 "[ . 1 . 2]" 5
938 2 17 ARG HA 2 57 TRP HD1 5.500 . 5.500 5.456 5.196 5.510 0.010 11 0 "[ . 1 . 2]" 5
939 1 18 PRO QG 1 57 TRP HD1 4.200 . 5.200 3.849 3.610 4.113 . 0 0 "[ . 1 . 2]" 5
940 2 18 PRO QG 2 57 TRP HD1 4.200 . 5.200 3.848 3.610 4.112 . 0 0 "[ . 1 . 2]" 5
941 1 55 LYS HA 1 57 TRP HD1 5.500 . 5.500 5.377 4.705 5.513 0.013 8 0 "[ . 1 . 2]" 5
942 2 55 LYS HA 2 57 TRP HD1 5.500 . 5.500 5.378 4.704 5.515 0.015 8 0 "[ . 1 . 2]" 5
943 1 56 LYS QG 1 57 TRP HD1 4.200 . 5.200 3.381 2.351 4.583 . 0 0 "[ . 1 . 2]" 5
944 2 56 LYS QG 2 57 TRP HD1 4.200 . 5.200 3.381 2.350 4.583 . 0 0 "[ . 1 . 2]" 5
945 1 57 TRP HD1 1 58 VAL MG2 5.500 . 6.000 4.085 3.814 4.271 . 0 0 "[ . 1 . 2]" 5
946 2 57 TRP HD1 2 58 VAL MG2 5.500 . 6.000 4.085 3.814 4.271 . 0 0 "[ . 1 . 2]" 5
947 1 57 TRP HD1 1 58 VAL H 5.500 . 5.500 3.831 3.494 4.152 . 0 0 "[ . 1 . 2]" 5
948 2 57 TRP HD1 2 58 VAL H 5.500 . 5.500 3.831 3.495 4.151 . 0 0 "[ . 1 . 2]" 5
949 1 16 ALA MB 1 57 TRP HE1 5.500 . 6.000 4.978 4.884 5.009 . 0 0 "[ . 1 . 2]" 5
950 2 16 ALA MB 2 57 TRP HE1 5.500 . 6.000 4.978 4.885 5.008 . 0 0 "[ . 1 . 2]" 5
951 1 18 PRO HA 1 57 TRP HE1 5.500 . 5.500 3.723 3.447 3.953 . 0 0 "[ . 1 . 2]" 5
952 2 18 PRO HA 2 57 TRP HE1 5.500 . 5.500 3.723 3.447 3.952 . 0 0 "[ . 1 . 2]" 5
953 1 18 PRO HD3 1 57 TRP HE1 5.500 . 5.500 3.932 3.731 4.008 . 0 0 "[ . 1 . 2]" 5
954 2 18 PRO HD3 2 57 TRP HE1 5.500 . 5.500 3.932 3.731 4.010 . 0 0 "[ . 1 . 2]" 5
955 1 18 PRO HD2 1 57 TRP HE1 5.500 . 5.500 5.430 5.201 5.506 0.006 15 0 "[ . 1 . 2]" 5
956 2 18 PRO HD2 2 57 TRP HE1 5.500 . 5.500 5.430 5.202 5.507 0.007 15 0 "[ . 1 . 2]" 5
957 1 18 PRO QG 1 57 TRP HE1 5.500 . 6.500 4.587 4.354 4.738 . 0 0 "[ . 1 . 2]" 5
958 2 18 PRO QG 2 57 TRP HE1 5.500 . 6.500 4.587 4.354 4.737 . 0 0 "[ . 1 . 2]" 5
959 1 55 LYS HA 1 57 TRP HE1 5.500 . 5.500 5.379 4.521 5.507 0.007 5 0 "[ . 1 . 2]" 5
960 2 55 LYS HA 2 57 TRP HE1 5.500 . 5.500 5.379 4.521 5.507 0.007 5 0 "[ . 1 . 2]" 5
961 1 57 TRP H 1 57 TRP HE1 5.500 . 5.500 4.218 4.063 4.797 . 0 0 "[ . 1 . 2]" 5
962 2 57 TRP H 2 57 TRP HE1 5.500 . 5.500 4.218 4.061 4.797 . 0 0 "[ . 1 . 2]" 5
963 1 57 TRP HE1 1 58 VAL MG2 5.500 . 6.000 3.249 2.893 3.471 . 0 0 "[ . 1 . 2]" 5
964 2 57 TRP HE1 2 58 VAL MG2 5.500 . 6.000 3.249 2.894 3.469 . 0 0 "[ . 1 . 2]" 5
965 1 18 PRO QB 1 57 TRP HE3 4.200 . 5.200 3.336 2.983 3.690 . 0 0 "[ . 1 . 2]" 5
966 2 18 PRO QB 2 57 TRP HE3 4.200 . 5.200 3.336 2.983 3.690 . 0 0 "[ . 1 . 2]" 5
967 1 57 TRP HA 1 57 TRP HE3 5.500 . 5.500 4.153 4.042 4.244 . 0 0 "[ . 1 . 2]" 5
968 2 57 TRP HA 2 57 TRP HE3 5.500 . 5.500 4.153 4.042 4.245 . 0 0 "[ . 1 . 2]" 5
969 1 57 TRP HE3 1 58 VAL HA 4.200 . 4.200 2.686 2.328 3.064 . 0 0 "[ . 1 . 2]" 5
970 2 57 TRP HE3 2 58 VAL HA 4.200 . 4.200 2.686 2.328 3.065 . 0 0 "[ . 1 . 2]" 5
971 1 57 TRP HE3 1 58 VAL MG2 5.500 . 6.000 3.574 3.226 3.943 . 0 0 "[ . 1 . 2]" 5
972 2 57 TRP HE3 2 58 VAL MG2 5.500 . 6.000 3.574 3.225 3.943 . 0 0 "[ . 1 . 2]" 5
973 1 57 TRP HE3 1 61 TYR HB2 5.500 . 5.500 3.731 3.478 4.165 . 0 0 "[ . 1 . 2]" 5
974 2 57 TRP HE3 2 61 TYR HB2 5.500 . 5.500 3.731 3.478 4.164 . 0 0 "[ . 1 . 2]" 5
975 1 15 ILE MG 1 57 TRP HH2 4.200 . 4.700 2.763 2.531 3.060 . 0 0 "[ . 1 . 2]" 5
976 2 15 ILE MG 2 57 TRP HH2 4.200 . 4.700 2.762 2.530 3.059 . 0 0 "[ . 1 . 2]" 5
977 1 18 PRO HA 1 57 TRP HH2 4.200 . 4.200 3.538 3.361 3.764 . 0 0 "[ . 1 . 2]" 5
978 2 18 PRO HA 2 57 TRP HH2 4.200 . 4.200 3.538 3.361 3.764 . 0 0 "[ . 1 . 2]" 5
979 1 19 LEU QD 1 57 TRP HH2 4.200 . 5.700 1.893 1.795 2.040 0.005 12 0 "[ . 1 . 2]" 5
980 2 19 LEU QD 2 57 TRP HH2 4.200 . 5.700 1.893 1.794 2.040 0.006 12 0 "[ . 1 . 2]" 5
981 1 19 LEU H 1 57 TRP HH2 4.200 . 4.200 4.203 4.172 4.220 0.020 19 0 "[ . 1 . 2]" 5
982 2 19 LEU H 2 57 TRP HH2 4.200 . 4.200 4.203 4.170 4.220 0.020 19 0 "[ . 1 . 2]" 5
983 1 51 ALA MB 1 57 TRP HH2 4.200 . 4.700 2.362 1.882 2.625 . 0 0 "[ . 1 . 2]" 5
984 2 51 ALA MB 2 57 TRP HH2 4.200 . 4.700 2.362 1.882 2.624 . 0 0 "[ . 1 . 2]" 5
985 1 57 TRP HH2 1 58 VAL MG2 5.500 . 6.000 2.841 2.527 3.285 . 0 0 "[ . 1 . 2]" 5
986 2 57 TRP HH2 2 58 VAL MG2 5.500 . 6.000 2.841 2.527 3.284 . 0 0 "[ . 1 . 2]" 5
987 1 55 LYS HA 1 57 TRP H 5.500 . 5.500 4.419 4.202 4.962 . 0 0 "[ . 1 . 2]" 5
988 2 55 LYS HA 2 57 TRP H 5.500 . 5.500 4.419 4.203 4.961 . 0 0 "[ . 1 . 2]" 5
989 1 56 LYS HG3 1 57 TRP H 5.500 . 5.500 3.156 1.879 4.782 . 0 0 "[ . 1 . 2]" 5
990 2 56 LYS HG3 2 57 TRP H 5.500 . 5.500 3.156 1.877 4.782 . 0 0 "[ . 1 . 2]" 5
991 1 56 LYS HG2 1 57 TRP H 5.500 . 5.500 3.719 2.484 5.587 0.087 19 0 "[ . 1 . 2]" 5
992 2 56 LYS HG2 2 57 TRP H 5.500 . 5.500 3.719 2.485 5.586 0.086 19 0 "[ . 1 . 2]" 5
993 1 57 TRP H 1 57 TRP HD1 4.200 . 4.200 2.614 2.216 3.576 . 0 0 "[ . 1 . 2]" 5
994 2 57 TRP H 2 57 TRP HD1 4.200 . 4.200 2.615 2.215 3.575 . 0 0 "[ . 1 . 2]" 5
995 1 57 TRP H 1 58 VAL HB 5.500 . 5.500 4.332 3.809 5.195 . 0 0 "[ . 1 . 2]" 5
996 2 57 TRP H 2 58 VAL HB 5.500 . 5.500 4.332 3.808 5.194 . 0 0 "[ . 1 . 2]" 5
997 1 57 TRP H 1 58 VAL MG2 5.500 . 6.000 3.508 3.257 4.478 . 0 0 "[ . 1 . 2]" 5
998 2 57 TRP H 2 58 VAL MG2 5.500 . 6.000 3.508 3.257 4.478 . 0 0 "[ . 1 . 2]" 5
999 1 57 TRP H 1 58 VAL H 4.200 . 4.200 2.122 1.852 3.023 . 0 0 "[ . 1 . 2]" 5
1000 2 57 TRP H 2 58 VAL H 4.200 . 4.200 2.122 1.853 3.023 . 0 0 "[ . 1 . 2]" 5
1001 1 15 ILE QG 1 57 TRP HZ2 5.500 . 6.500 4.309 3.799 5.460 . 0 0 "[ . 1 . 2]" 5
1002 2 15 ILE QG 2 57 TRP HZ2 5.500 . 6.500 4.310 3.799 5.461 . 0 0 "[ . 1 . 2]" 5
1003 1 15 ILE MG 1 57 TRP HZ2 4.200 . 4.700 2.298 1.937 2.503 . 0 0 "[ . 1 . 2]" 5
1004 2 15 ILE MG 2 57 TRP HZ2 4.200 . 4.700 2.299 1.938 2.505 . 0 0 "[ . 1 . 2]" 5
1005 1 18 PRO HA 1 57 TRP HZ2 4.200 . 4.200 3.102 2.989 3.159 . 0 0 "[ . 1 . 2]" 5
1006 2 18 PRO HA 2 57 TRP HZ2 4.200 . 4.200 3.102 2.989 3.158 . 0 0 "[ . 1 . 2]" 5
1007 1 18 PRO QB 1 57 TRP HZ2 5.500 . 6.500 4.471 4.302 4.555 . 0 0 "[ . 1 . 2]" 5
1008 2 18 PRO QB 2 57 TRP HZ2 5.500 . 6.500 4.470 4.301 4.555 . 0 0 "[ . 1 . 2]" 5
1009 1 18 PRO QG 1 57 TRP HZ2 5.500 . 6.500 5.799 5.699 5.821 . 0 0 "[ . 1 . 2]" 5
1010 2 18 PRO QG 2 57 TRP HZ2 5.500 . 6.500 5.799 5.698 5.821 . 0 0 "[ . 1 . 2]" 5
1011 1 19 LEU H 1 57 TRP HZ2 5.500 . 5.500 5.077 4.875 5.218 . 0 0 "[ . 1 . 2]" 5
1012 2 19 LEU H 2 57 TRP HZ2 5.500 . 5.500 5.076 4.874 5.217 . 0 0 "[ . 1 . 2]" 5
1013 1 51 ALA HA 1 57 TRP HZ2 5.500 . 5.500 4.513 4.216 4.792 . 0 0 "[ . 1 . 2]" 5
1014 2 51 ALA HA 2 57 TRP HZ2 5.500 . 5.500 4.513 4.216 4.792 . 0 0 "[ . 1 . 2]" 5
1015 1 57 TRP HZ2 1 58 VAL MG1 5.500 . 6.000 4.881 4.627 4.934 . 0 0 "[ . 1 . 2]" 5
1016 2 57 TRP HZ2 2 58 VAL MG1 5.500 . 6.000 4.880 4.629 4.934 . 0 0 "[ . 1 . 2]" 5
1017 1 57 TRP HZ2 1 58 VAL MG2 4.200 . 4.700 2.802 2.520 2.876 . 0 0 "[ . 1 . 2]" 5
1018 2 57 TRP HZ2 2 58 VAL MG2 4.200 . 4.700 2.802 2.522 2.876 . 0 0 "[ . 1 . 2]" 5
1019 1 18 PRO HA 1 57 TRP HZ3 5.500 . 5.500 3.893 3.696 4.137 . 0 0 "[ . 1 . 2]" 5
1020 2 18 PRO HA 2 57 TRP HZ3 5.500 . 5.500 3.893 3.696 4.137 . 0 0 "[ . 1 . 2]" 5
1021 1 19 LEU MD1 1 57 TRP HZ3 5.500 . 6.000 2.257 1.859 2.936 . 0 0 "[ . 1 . 2]" 5
1022 2 19 LEU MD1 2 57 TRP HZ3 5.500 . 6.000 2.258 1.859 2.936 . 0 0 "[ . 1 . 2]" 5
1023 1 19 LEU MD2 1 57 TRP HZ3 5.500 . 6.000 3.401 1.895 4.167 . 0 0 "[ . 1 . 2]" 5
1024 2 19 LEU MD2 2 57 TRP HZ3 5.500 . 6.000 3.401 1.895 4.166 . 0 0 "[ . 1 . 2]" 5
1025 1 19 LEU H 1 57 TRP HZ3 5.500 . 5.500 3.398 3.219 3.541 . 0 0 "[ . 1 . 2]" 5
1026 2 19 LEU H 2 57 TRP HZ3 5.500 . 5.500 3.398 3.218 3.541 . 0 0 "[ . 1 . 2]" 5
1027 1 24 ILE MD 1 57 TRP HZ3 5.500 . 6.000 3.889 3.595 4.252 . 0 0 "[ . 1 . 2]" 5
1028 2 24 ILE MD 2 57 TRP HZ3 5.500 . 6.000 3.889 3.594 4.253 . 0 0 "[ . 1 . 2]" 5
1029 1 51 ALA MB 1 57 TRP HZ3 5.500 . 6.000 3.577 3.159 3.985 . 0 0 "[ . 1 . 2]" 5
1030 2 51 ALA MB 2 57 TRP HZ3 5.500 . 6.000 3.576 3.158 3.986 . 0 0 "[ . 1 . 2]" 5
1031 1 57 TRP HZ3 1 58 VAL HA 4.200 . 4.200 3.012 2.629 3.419 . 0 0 "[ . 1 . 2]" 5
1032 2 57 TRP HZ3 2 58 VAL HA 4.200 . 4.200 3.012 2.629 3.421 . 0 0 "[ . 1 . 2]" 5
1033 1 57 TRP HZ3 1 58 VAL MG2 5.500 . 6.000 3.320 2.937 3.904 . 0 0 "[ . 1 . 2]" 5
1034 2 57 TRP HZ3 2 58 VAL MG2 5.500 . 6.000 3.320 2.937 3.904 . 0 0 "[ . 1 . 2]" 5
1035 1 39 VAL MG1 1 58 VAL MG1 4.200 . 5.200 3.176 2.935 3.432 . 0 0 "[ . 1 . 2]" 5
1036 2 39 VAL MG1 2 58 VAL MG1 4.200 . 5.200 3.176 2.935 3.431 . 0 0 "[ . 1 . 2]" 5
1037 1 39 VAL MG2 1 58 VAL MG1 5.500 . 6.500 3.054 2.885 3.209 . 0 0 "[ . 1 . 2]" 5
1038 2 39 VAL MG2 2 58 VAL MG1 5.500 . 6.500 3.054 2.885 3.210 . 0 0 "[ . 1 . 2]" 5
1039 1 56 LYS HA 1 58 VAL H 5.500 . 5.500 4.570 4.413 4.766 . 0 0 "[ . 1 . 2]" 5
1040 2 56 LYS HA 2 58 VAL H 5.500 . 5.500 4.570 4.414 4.766 . 0 0 "[ . 1 . 2]" 5
1041 1 58 VAL H 1 58 VAL HB 2.700 . 2.700 2.542 2.463 2.630 . 0 0 "[ . 1 . 2]" 5
1042 2 58 VAL H 2 58 VAL HB 2.700 . 2.700 2.542 2.463 2.629 . 0 0 "[ . 1 . 2]" 5
1043 1 58 VAL H 1 58 VAL MG2 4.200 . 4.700 2.034 1.898 2.158 . 0 0 "[ . 1 . 2]" 5
1044 2 58 VAL H 2 58 VAL MG2 4.200 . 4.700 2.033 1.899 2.158 . 0 0 "[ . 1 . 2]" 5
1045 1 58 VAL MG1 1 59 ARG HA 4.200 . 4.700 3.376 3.248 3.530 . 0 0 "[ . 1 . 2]" 5
1046 2 58 VAL MG1 2 59 ARG HA 4.200 . 4.700 3.376 3.248 3.530 . 0 0 "[ . 1 . 2]" 5
1047 1 59 ARG HA 1 59 ARG HG2 3.300 . 3.300 2.418 2.241 2.684 . 0 0 "[ . 1 . 2]" 5
1048 2 59 ARG HA 2 59 ARG HG2 3.300 . 3.300 2.419 2.242 2.685 . 0 0 "[ . 1 . 2]" 5
1049 1 59 ARG HA 1 59 ARG HG3 3.300 . 3.300 3.029 2.686 3.305 0.005 19 0 "[ . 1 . 2]" 5
1050 2 59 ARG HA 2 59 ARG HG3 3.300 . 3.300 3.029 2.685 3.305 0.005 19 0 "[ . 1 . 2]" 5
1051 1 59 ARG HA 1 62 ILE HB 2.700 . 2.700 2.551 2.399 2.704 0.004 15 0 "[ . 1 . 2]" 5
1052 2 59 ARG HA 2 62 ILE HB 2.700 . 2.700 2.550 2.399 2.703 0.003 15 0 "[ . 1 . 2]" 5
1053 1 59 ARG HA 1 62 ILE MD 4.200 . 4.700 2.576 1.849 3.993 . 0 0 "[ . 1 . 2]" 5
1054 2 59 ARG HA 2 62 ILE MD 4.200 . 4.700 2.576 1.848 3.994 . 0 0 "[ . 1 . 2]" 5
1055 1 59 ARG HA 1 62 ILE QG 4.200 . 5.200 3.477 2.228 4.122 . 0 0 "[ . 1 . 2]" 5
1056 2 59 ARG HA 2 62 ILE QG 4.200 . 5.200 3.477 2.227 4.121 . 0 0 "[ . 1 . 2]" 5
1057 1 59 ARG HA 1 59 ARG HE 5.500 . 5.500 4.437 3.906 5.139 . 0 0 "[ . 1 . 2]" 5
1058 2 59 ARG HA 2 59 ARG HE 5.500 . 5.500 4.437 3.906 5.140 . 0 0 "[ . 1 . 2]" 5
1059 1 59 ARG HE 1 59 ARG HG2 4.200 . 4.200 2.719 2.099 4.045 . 0 0 "[ . 1 . 2]" 5
1060 2 59 ARG HE 2 59 ARG HG2 4.200 . 4.200 2.719 2.098 4.044 . 0 0 "[ . 1 . 2]" 5
1061 1 59 ARG HE 1 59 ARG HG3 4.200 . 4.200 3.631 3.203 3.967 . 0 0 "[ . 1 . 2]" 5
1062 2 59 ARG HE 2 59 ARG HG3 4.200 . 4.200 3.631 3.203 3.967 . 0 0 "[ . 1 . 2]" 5
1063 1 59 ARG HE 1 60 GLU HA 4.200 . 4.200 3.485 2.567 4.202 0.002 19 0 "[ . 1 . 2]" 5
1064 2 59 ARG HE 2 60 GLU HA 4.200 . 4.200 3.485 2.568 4.202 0.002 19 0 "[ . 1 . 2]" 5
1065 1 53 PRO HA 1 59 ARG H 5.500 . 5.500 3.894 3.620 4.143 . 0 0 "[ . 1 . 2]" 5
1066 2 53 PRO HA 2 59 ARG H 5.500 . 5.500 3.894 3.620 4.143 . 0 0 "[ . 1 . 2]" 5
1067 1 58 VAL MG1 1 59 ARG H 5.500 . 6.000 2.986 2.788 3.151 . 0 0 "[ . 1 . 2]" 5
1068 2 58 VAL MG1 2 59 ARG H 5.500 . 6.000 2.986 2.788 3.152 . 0 0 "[ . 1 . 2]" 5
1069 1 58 VAL MG2 1 59 ARG H 5.500 . 6.000 3.705 3.658 3.777 . 0 0 "[ . 1 . 2]" 5
1070 2 58 VAL MG2 2 59 ARG H 5.500 . 6.000 3.705 3.659 3.777 . 0 0 "[ . 1 . 2]" 5
1071 1 58 VAL H 1 59 ARG H 4.200 . 4.200 3.010 2.858 3.096 . 0 0 "[ . 1 . 2]" 5
1072 2 58 VAL H 2 59 ARG H 4.200 . 4.200 3.010 2.858 3.098 . 0 0 "[ . 1 . 2]" 5
1073 1 60 GLU HA 1 60 GLU HG2 2.700 . 2.700 2.425 2.271 2.595 . 0 0 "[ . 1 . 2]" 5
1074 2 60 GLU HA 2 60 GLU HG2 2.700 . 2.700 2.425 2.271 2.595 . 0 0 "[ . 1 . 2]" 5
1075 1 60 GLU HA 1 60 GLU HG3 2.700 . 2.700 2.529 2.403 2.702 0.002 2 0 "[ . 1 . 2]" 5
1076 2 60 GLU HA 2 60 GLU HG3 2.700 . 2.700 2.529 2.402 2.703 0.003 2 0 "[ . 1 . 2]" 5
1077 1 57 TRP HA 1 60 GLU H 5.500 . 5.500 3.240 3.131 3.419 . 0 0 "[ . 1 . 2]" 5
1078 2 57 TRP HA 2 60 GLU H 5.500 . 5.500 3.240 3.130 3.420 . 0 0 "[ . 1 . 2]" 5
1079 1 57 TRP H 1 60 GLU H 5.500 . 5.500 4.545 3.820 4.756 . 0 0 "[ . 1 . 2]" 5
1080 2 57 TRP H 2 60 GLU H 5.500 . 5.500 4.545 3.819 4.756 . 0 0 "[ . 1 . 2]" 5
1081 1 58 VAL HA 1 60 GLU H 5.500 . 5.500 3.997 3.764 4.233 . 0 0 "[ . 1 . 2]" 5
1082 2 58 VAL HA 2 60 GLU H 5.500 . 5.500 3.997 3.764 4.233 . 0 0 "[ . 1 . 2]" 5
1083 1 58 VAL MG1 1 60 GLU H 5.500 . 6.000 4.532 4.373 4.674 . 0 0 "[ . 1 . 2]" 5
1084 2 58 VAL MG1 2 60 GLU H 5.500 . 6.000 4.532 4.372 4.674 . 0 0 "[ . 1 . 2]" 5
1085 1 58 VAL H 1 60 GLU H 5.500 . 5.500 3.740 3.613 3.906 . 0 0 "[ . 1 . 2]" 5
1086 2 58 VAL H 2 60 GLU H 5.500 . 5.500 3.740 3.612 3.906 . 0 0 "[ . 1 . 2]" 5
1087 1 59 ARG H 1 60 GLU H 3.300 . 3.300 2.670 2.608 2.754 . 0 0 "[ . 1 . 2]" 5
1088 2 59 ARG H 2 60 GLU H 3.300 . 3.300 2.670 2.608 2.753 . 0 0 "[ . 1 . 2]" 5
1089 1 60 GLU H 1 60 GLU HG2 4.200 . 4.200 4.142 3.983 4.208 0.008 6 0 "[ . 1 . 2]" 5
1090 2 60 GLU H 2 60 GLU HG2 4.200 . 4.200 4.142 3.984 4.208 0.008 6 0 "[ . 1 . 2]" 5
1091 1 60 GLU H 1 60 GLU HG3 4.200 . 4.200 3.048 2.841 3.273 . 0 0 "[ . 1 . 2]" 5
1092 2 60 GLU H 2 60 GLU HG3 4.200 . 4.200 3.048 2.843 3.273 . 0 0 "[ . 1 . 2]" 5
1093 1 60 GLU H 1 63 ASN H 5.500 . 5.500 4.717 4.595 4.792 . 0 0 "[ . 1 . 2]" 5
1094 2 60 GLU H 2 63 ASN H 5.500 . 5.500 4.717 4.593 4.793 . 0 0 "[ . 1 . 2]" 5
1095 1 61 TYR HA 1 61 TYR HB3 2.700 . 2.700 2.613 2.509 2.731 0.031 13 0 "[ . 1 . 2]" 5
1096 2 61 TYR HA 2 61 TYR HB3 2.700 . 2.700 2.613 2.510 2.731 0.031 13 0 "[ . 1 . 2]" 5
1097 1 61 TYR HA 1 64 SER HB3 5.500 . 5.500 3.708 2.512 4.450 . 0 0 "[ . 1 . 2]" 5
1098 2 61 TYR HA 2 64 SER HB3 5.500 . 5.500 3.708 2.513 4.449 . 0 0 "[ . 1 . 2]" 5
1099 1 61 TYR HA 1 64 SER HB2 5.500 . 5.500 4.177 3.802 4.823 . 0 0 "[ . 1 . 2]" 5
1100 2 61 TYR HA 2 64 SER HB2 5.500 . 5.500 4.177 3.801 4.823 . 0 0 "[ . 1 . 2]" 5
1101 1 24 ILE MD 1 61 TYR HB3 5.500 . 6.000 3.426 2.843 3.826 . 0 0 "[ . 1 . 2]" 5
1102 2 24 ILE MD 2 61 TYR HB3 5.500 . 6.000 3.426 2.843 3.825 . 0 0 "[ . 1 . 2]" 5
1103 1 61 TYR HB3 1 65 LEU QD 4.200 . 5.700 3.385 2.975 3.926 . 0 0 "[ . 1 . 2]" 5
1104 2 61 TYR HB3 2 65 LEU QD 4.200 . 5.700 3.385 2.976 3.926 . 0 0 "[ . 1 . 2]" 5
1105 1 41 PHE HZ 1 61 TYR H 5.500 . 5.500 4.092 3.937 4.293 . 0 0 "[ . 1 . 2]" 5
1106 2 41 PHE HZ 2 61 TYR H 5.500 . 5.500 4.092 3.937 4.293 . 0 0 "[ . 1 . 2]" 5
1107 1 58 VAL HA 1 61 TYR H 4.200 . 4.200 3.537 3.457 3.638 . 0 0 "[ . 1 . 2]" 5
1108 2 58 VAL HA 2 61 TYR H 4.200 . 4.200 3.537 3.457 3.638 . 0 0 "[ . 1 . 2]" 5
1109 1 59 ARG HA 1 61 TYR H 5.500 . 5.500 4.222 3.933 4.440 . 0 0 "[ . 1 . 2]" 5
1110 2 59 ARG HA 2 61 TYR H 5.500 . 5.500 4.222 3.934 4.440 . 0 0 "[ . 1 . 2]" 5
1111 1 59 ARG H 1 61 TYR H 5.500 . 5.500 4.420 4.209 4.641 . 0 0 "[ . 1 . 2]" 5
1112 2 59 ARG H 2 61 TYR H 5.500 . 5.500 4.420 4.209 4.641 . 0 0 "[ . 1 . 2]" 5
1113 1 60 GLU HB3 1 61 TYR H 4.200 . 4.200 3.246 2.906 3.522 . 0 0 "[ . 1 . 2]" 5
1114 2 60 GLU HB3 2 61 TYR H 4.200 . 4.200 3.246 2.906 3.523 . 0 0 "[ . 1 . 2]" 5
1115 1 60 GLU HB2 1 61 TYR H 4.200 . 4.200 2.903 2.726 3.051 . 0 0 "[ . 1 . 2]" 5
1116 2 60 GLU HB2 2 61 TYR H 4.200 . 4.200 2.902 2.725 3.052 . 0 0 "[ . 1 . 2]" 5
1117 1 60 GLU H 1 61 TYR H 4.200 . 4.200 2.629 2.497 2.783 . 0 0 "[ . 1 . 2]" 5
1118 2 60 GLU H 2 61 TYR H 4.200 . 4.200 2.629 2.497 2.783 . 0 0 "[ . 1 . 2]" 5
1119 1 61 TYR H 1 61 TYR HB2 3.300 . 3.300 2.283 2.141 2.444 . 0 0 "[ . 1 . 2]" 5
1120 2 61 TYR H 2 61 TYR HB2 3.300 . 3.300 2.283 2.139 2.443 . 0 0 "[ . 1 . 2]" 5
1121 1 61 TYR H 1 62 ILE MD 5.500 . 6.000 4.024 3.560 4.334 . 0 0 "[ . 1 . 2]" 5
1122 2 61 TYR H 2 62 ILE MD 5.500 . 6.000 4.024 3.560 4.336 . 0 0 "[ . 1 . 2]" 5
1123 1 61 TYR H 1 62 ILE QG 5.500 . 6.500 4.460 3.685 5.099 . 0 0 "[ . 1 . 2]" 5
1124 2 61 TYR H 2 62 ILE QG 5.500 . 6.500 4.460 3.684 5.100 . 0 0 "[ . 1 . 2]" 5
1125 1 61 TYR H 1 62 ILE H 4.200 . 4.200 2.573 2.455 2.663 . 0 0 "[ . 1 . 2]" 5
1126 2 61 TYR H 2 62 ILE H 4.200 . 4.200 2.573 2.456 2.663 . 0 0 "[ . 1 . 2]" 5
1127 1 62 ILE HA 1 65 LEU MD2 5.500 . 6.000 4.274 3.755 4.861 . 0 0 "[ . 1 . 2]" 5
1128 2 62 ILE HA 2 65 LEU MD2 5.500 . 6.000 4.274 3.754 4.861 . 0 0 "[ . 1 . 2]" 5
1129 1 62 ILE HA 1 65 LEU MD1 5.500 . 6.000 4.432 3.649 5.036 . 0 0 "[ . 1 . 2]" 5
1130 2 62 ILE HA 2 65 LEU MD1 5.500 . 6.000 4.432 3.649 5.036 . 0 0 "[ . 1 . 2]" 5
1131 1 39 VAL MG1 1 62 ILE MD 4.200 . 5.200 2.429 1.860 2.864 . 0 0 "[ . 1 . 2]" 5
1132 2 39 VAL MG1 2 62 ILE MD 4.200 . 5.200 2.429 1.860 2.864 . 0 0 "[ . 1 . 2]" 5
1133 1 39 VAL MG2 1 62 ILE MD 5.500 . 6.500 2.519 1.967 3.148 . 0 0 "[ . 1 . 2]" 5
1134 2 39 VAL MG2 2 62 ILE MD 5.500 . 6.500 2.519 1.966 3.149 . 0 0 "[ . 1 . 2]" 5
1135 1 58 VAL MG1 1 62 ILE MD 5.500 . 6.500 2.388 1.806 3.348 . 0 0 "[ . 1 . 2]" 5
1136 2 58 VAL MG1 2 62 ILE MD 5.500 . 6.500 2.388 1.805 3.349 . 0 0 "[ . 1 . 2]" 5
1137 1 58 VAL MG1 1 62 ILE QG 5.500 . 7.000 3.391 2.568 3.841 . 0 0 "[ . 1 . 2]" 5
1138 2 58 VAL MG1 2 62 ILE QG 5.500 . 7.000 3.391 2.568 3.841 . 0 0 "[ . 1 . 2]" 5
1139 1 41 PHE HZ 1 62 ILE H 5.500 . 5.500 3.376 3.151 3.705 . 0 0 "[ . 1 . 2]" 5
1140 2 41 PHE HZ 2 62 ILE H 5.500 . 5.500 3.376 3.150 3.704 . 0 0 "[ . 1 . 2]" 5
1141 1 58 VAL HA 1 62 ILE H 5.500 . 5.500 4.486 4.382 4.582 . 0 0 "[ . 1 . 2]" 5
1142 2 58 VAL HA 2 62 ILE H 5.500 . 5.500 4.486 4.383 4.582 . 0 0 "[ . 1 . 2]" 5
1143 1 58 VAL MG1 1 62 ILE H 5.500 . 6.000 4.142 4.013 4.264 . 0 0 "[ . 1 . 2]" 5
1144 2 58 VAL MG1 2 62 ILE H 5.500 . 6.000 4.142 4.013 4.264 . 0 0 "[ . 1 . 2]" 5
1145 1 59 ARG HA 1 62 ILE H 4.200 . 4.200 3.289 3.067 3.430 . 0 0 "[ . 1 . 2]" 5
1146 2 59 ARG HA 2 62 ILE H 4.200 . 4.200 3.289 3.067 3.430 . 0 0 "[ . 1 . 2]" 5
1147 1 59 ARG H 1 62 ILE H 5.500 . 5.500 4.962 4.843 5.039 . 0 0 "[ . 1 . 2]" 5
1148 2 59 ARG H 2 62 ILE H 5.500 . 5.500 4.962 4.845 5.039 . 0 0 "[ . 1 . 2]" 5
1149 1 60 GLU HA 1 62 ILE H 5.500 . 5.500 4.655 4.448 4.833 . 0 0 "[ . 1 . 2]" 5
1150 2 60 GLU HA 2 62 ILE H 5.500 . 5.500 4.655 4.449 4.833 . 0 0 "[ . 1 . 2]" 5
1151 1 61 TYR HB2 1 62 ILE H 4.200 . 4.200 2.667 2.548 2.854 . 0 0 "[ . 1 . 2]" 5
1152 2 61 TYR HB2 2 62 ILE H 4.200 . 4.200 2.667 2.548 2.854 . 0 0 "[ . 1 . 2]" 5
1153 1 62 ILE H 1 62 ILE HB 2.700 . 2.700 2.521 2.399 2.717 0.017 14 0 "[ . 1 . 2]" 5
1154 2 62 ILE H 2 62 ILE HB 2.700 . 2.700 2.521 2.398 2.718 0.018 14 0 "[ . 1 . 2]" 5
1155 1 62 ILE H 1 62 ILE MD 4.200 . 4.700 2.531 2.107 2.779 . 0 0 "[ . 1 . 2]" 5
1156 2 62 ILE H 2 62 ILE MD 4.200 . 4.700 2.531 2.108 2.779 . 0 0 "[ . 1 . 2]" 5
1157 1 62 ILE H 1 62 ILE HG12 4.200 . 4.200 3.300 1.875 3.976 . 0 0 "[ . 1 . 2]" 5
1158 2 62 ILE H 2 62 ILE HG12 4.200 . 4.200 3.300 1.876 3.976 . 0 0 "[ . 1 . 2]" 5
1159 1 62 ILE H 1 62 ILE HG13 4.200 . 4.200 2.866 2.362 3.475 . 0 0 "[ . 1 . 2]" 5
1160 2 62 ILE H 2 62 ILE HG13 4.200 . 4.200 2.866 2.361 3.475 . 0 0 "[ . 1 . 2]" 5
1161 1 62 ILE H 1 63 ASN H 4.200 . 4.200 2.688 2.587 2.849 . 0 0 "[ . 1 . 2]" 5
1162 2 62 ILE H 2 63 ASN H 4.200 . 4.200 2.688 2.587 2.850 . 0 0 "[ . 1 . 2]" 5
1163 1 62 ILE H 1 64 SER H 5.500 . 5.500 4.169 3.817 4.817 . 0 0 "[ . 1 . 2]" 5
1164 2 62 ILE H 2 64 SER H 5.500 . 5.500 4.169 3.818 4.818 . 0 0 "[ . 1 . 2]" 5
1165 1 62 ILE MG 1 63 ASN HA 5.500 . 6.000 3.642 3.384 4.037 . 0 0 "[ . 1 . 2]" 5
1166 2 62 ILE MG 2 63 ASN HA 5.500 . 6.000 3.643 3.382 4.038 . 0 0 "[ . 1 . 2]" 5
1167 1 60 GLU HA 1 63 ASN HD21 4.200 . 4.200 3.661 2.163 3.977 . 0 0 "[ . 1 . 2]" 5
1168 2 60 GLU HA 2 63 ASN HD21 4.200 . 4.200 3.660 2.163 3.976 . 0 0 "[ . 1 . 2]" 5
1169 1 60 GLU HA 1 63 ASN HD22 5.500 . 5.500 5.316 3.787 5.509 0.009 17 0 "[ . 1 . 2]" 5
1170 2 60 GLU HA 2 63 ASN HD22 5.500 . 5.500 5.316 3.788 5.507 0.007 17 0 "[ . 1 . 2]" 5
1171 1 59 ARG HA 1 63 ASN H 5.500 . 5.500 3.961 3.689 4.257 . 0 0 "[ . 1 . 2]" 5
1172 2 59 ARG HA 2 63 ASN H 5.500 . 5.500 3.961 3.689 4.257 . 0 0 "[ . 1 . 2]" 5
1173 1 60 GLU HA 1 63 ASN H 4.200 . 4.200 3.644 3.469 3.851 . 0 0 "[ . 1 . 2]" 5
1174 2 60 GLU HA 2 63 ASN H 4.200 . 4.200 3.644 3.468 3.851 . 0 0 "[ . 1 . 2]" 5
1175 1 61 TYR HA 1 63 ASN H 5.500 . 5.500 4.200 3.864 4.542 . 0 0 "[ . 1 . 2]" 5
1176 2 61 TYR HA 2 63 ASN H 5.500 . 5.500 4.200 3.864 4.542 . 0 0 "[ . 1 . 2]" 5
1177 1 62 ILE HB 1 63 ASN H 3.300 . 3.300 2.753 2.491 2.961 . 0 0 "[ . 1 . 2]" 5
1178 2 62 ILE HB 2 63 ASN H 3.300 . 3.300 2.753 2.492 2.961 . 0 0 "[ . 1 . 2]" 5
1179 1 62 ILE HG13 1 63 ASN H 5.500 . 5.500 4.725 4.441 5.100 . 0 0 "[ . 1 . 2]" 5
1180 2 62 ILE HG13 2 63 ASN H 5.500 . 5.500 4.725 4.439 5.101 . 0 0 "[ . 1 . 2]" 5
1181 1 62 ILE HG12 1 63 ASN H 5.500 . 5.500 4.857 3.930 5.391 . 0 0 "[ . 1 . 2]" 5
1182 2 62 ILE HG12 2 63 ASN H 5.500 . 5.500 4.858 3.930 5.391 . 0 0 "[ . 1 . 2]" 5
1183 1 62 ILE MG 1 63 ASN H 4.200 . 4.700 3.564 3.189 3.919 . 0 0 "[ . 1 . 2]" 5
1184 2 62 ILE MG 2 63 ASN H 4.200 . 4.700 3.565 3.189 3.920 . 0 0 "[ . 1 . 2]" 5
1185 1 63 ASN H 1 63 ASN HD21 5.500 . 5.500 4.467 3.174 4.850 . 0 0 "[ . 1 . 2]" 5
1186 2 63 ASN H 2 63 ASN HD21 5.500 . 5.500 4.467 3.173 4.849 . 0 0 "[ . 1 . 2]" 5
1187 1 60 GLU HA 1 64 SER H 5.500 . 5.500 4.139 3.610 4.368 . 0 0 "[ . 1 . 2]" 5
1188 2 60 GLU HA 2 64 SER H 5.500 . 5.500 4.139 3.610 4.370 . 0 0 "[ . 1 . 2]" 5
1189 1 61 TYR HA 1 64 SER H 4.200 . 4.200 3.315 3.134 3.804 . 0 0 "[ . 1 . 2]" 5
1190 2 61 TYR HA 2 64 SER H 4.200 . 4.200 3.315 3.134 3.805 . 0 0 "[ . 1 . 2]" 5
1191 1 62 ILE HA 1 64 SER H 5.500 . 5.500 4.511 4.021 5.439 . 0 0 "[ . 1 . 2]" 5
1192 2 62 ILE HA 2 64 SER H 5.500 . 5.500 4.511 4.021 5.439 . 0 0 "[ . 1 . 2]" 5
1193 1 63 ASN HD22 1 64 SER H 5.500 . 5.500 5.146 4.342 5.549 0.049 20 0 "[ . 1 . 2]" 5
1194 2 63 ASN HD22 2 64 SER H 5.500 . 5.500 5.146 4.342 5.549 0.049 20 0 "[ . 1 . 2]" 5
1195 1 63 ASN H 1 64 SER H 4.200 . 4.200 2.517 2.345 2.787 . 0 0 "[ . 1 . 2]" 5
1196 2 63 ASN H 2 64 SER H 4.200 . 4.200 2.516 2.346 2.786 . 0 0 "[ . 1 . 2]" 5
1197 1 64 SER H 1 65 LEU HA 5.500 . 5.500 5.148 5.015 5.492 . 0 0 "[ . 1 . 2]" 5
1198 2 64 SER H 2 65 LEU HA 5.500 . 5.500 5.148 5.016 5.492 . 0 0 "[ . 1 . 2]" 5
1199 1 64 SER H 1 65 LEU HB3 5.500 . 5.500 5.505 5.500 5.513 0.013 13 0 "[ . 1 . 2]" 5
1200 2 64 SER H 2 65 LEU HB3 5.500 . 5.500 5.505 5.501 5.511 0.011 13 0 "[ . 1 . 2]" 5
1201 1 24 ILE MD 1 65 LEU QD 5.500 . 7.500 3.829 3.383 4.159 . 0 0 "[ . 1 . 2]" 5
1202 2 24 ILE MD 2 65 LEU QD 5.500 . 7.500 3.829 3.383 4.160 . 0 0 "[ . 1 . 2]" 5
1203 1 61 TYR HA 1 65 LEU H 5.500 . 5.500 4.157 3.796 4.329 . 0 0 "[ . 1 . 2]" 5
1204 2 61 TYR HA 2 65 LEU H 5.500 . 5.500 4.157 3.796 4.328 . 0 0 "[ . 1 . 2]" 5
1205 1 62 ILE HA 1 65 LEU H 4.200 . 4.200 3.565 3.358 3.944 . 0 0 "[ . 1 . 2]" 5
1206 2 62 ILE HA 2 65 LEU H 4.200 . 4.200 3.564 3.358 3.943 . 0 0 "[ . 1 . 2]" 5
1207 1 62 ILE MG 1 65 LEU H 5.500 . 6.000 4.524 4.201 4.853 . 0 0 "[ . 1 . 2]" 5
1208 2 62 ILE MG 2 65 LEU H 5.500 . 6.000 4.524 4.199 4.853 . 0 0 "[ . 1 . 2]" 5
1209 1 65 LEU H 1 65 LEU HB3 3.300 . 3.300 3.116 2.769 3.244 . 0 0 "[ . 1 . 2]" 5
1210 2 65 LEU H 2 65 LEU HB3 3.300 . 3.300 3.116 2.769 3.245 . 0 0 "[ . 1 . 2]" 5
1211 1 65 LEU H 1 65 LEU MD2 5.500 . 6.000 3.981 3.174 4.518 . 0 0 "[ . 1 . 2]" 5
1212 2 65 LEU H 2 65 LEU MD2 5.500 . 6.000 3.981 3.174 4.517 . 0 0 "[ . 1 . 2]" 5
1213 1 65 LEU H 1 65 LEU MD1 5.500 . 6.000 3.880 3.219 4.165 . 0 0 "[ . 1 . 2]" 5
1214 2 65 LEU H 2 65 LEU MD1 5.500 . 6.000 3.880 3.218 4.164 . 0 0 "[ . 1 . 2]" 5
1215 1 62 ILE HA 1 66 GLU H 5.500 . 5.500 3.985 3.657 4.196 . 0 0 "[ . 1 . 2]" 5
1216 2 62 ILE HA 2 66 GLU H 5.500 . 5.500 3.984 3.656 4.196 . 0 0 "[ . 1 . 2]" 5
1217 1 62 ILE MG 1 66 GLU H 5.500 . 6.000 3.867 3.439 4.118 . 0 0 "[ . 1 . 2]" 5
1218 2 62 ILE MG 2 66 GLU H 5.500 . 6.000 3.867 3.438 4.118 . 0 0 "[ . 1 . 2]" 5
1219 1 63 ASN HA 1 66 GLU H 4.200 . 4.200 3.579 3.106 4.014 . 0 0 "[ . 1 . 2]" 5
1220 2 63 ASN HA 2 66 GLU H 4.200 . 4.200 3.579 3.106 4.012 . 0 0 "[ . 1 . 2]" 5
1221 1 65 LEU HB3 1 66 GLU H 4.200 . 4.200 2.645 2.342 2.985 . 0 0 "[ . 1 . 2]" 5
1222 2 65 LEU HB3 2 66 GLU H 4.200 . 4.200 2.644 2.344 2.987 . 0 0 "[ . 1 . 2]" 5
1223 1 65 LEU MD1 1 66 GLU H 5.500 . 6.000 4.391 3.755 4.975 . 0 0 "[ . 1 . 2]" 5
1224 2 65 LEU MD1 2 66 GLU H 5.500 . 6.000 4.391 3.757 4.975 . 0 0 "[ . 1 . 2]" 5
1225 1 65 LEU MD2 1 66 GLU H 5.500 . 6.000 4.297 3.471 4.620 . 0 0 "[ . 1 . 2]" 5
1226 2 65 LEU MD2 2 66 GLU H 5.500 . 6.000 4.297 3.470 4.621 . 0 0 "[ . 1 . 2]" 5
1227 1 65 LEU H 1 66 GLU H 4.200 . 4.200 2.434 2.296 2.646 . 0 0 "[ . 1 . 2]" 5
1228 2 65 LEU H 2 66 GLU H 4.200 . 4.200 2.434 2.295 2.645 . 0 0 "[ . 1 . 2]" 5
1229 1 66 GLU H 1 67 MET H 4.200 . 4.200 3.649 2.620 4.216 0.016 11 0 "[ . 1 . 2]" 5
1230 2 66 GLU H 2 67 MET H 4.200 . 4.200 3.649 2.620 4.215 0.015 11 0 "[ . 1 . 2]" 5
1231 1 66 GLU HA 1 67 MET H 3.300 . 3.300 2.775 2.268 3.303 0.003 14 0 "[ . 1 . 2]" 5
1232 2 66 GLU HA 2 67 MET H 3.300 . 3.300 2.775 2.268 3.304 0.004 14 0 "[ . 1 . 2]" 5
1233 1 67 MET H 1 67 MET HB2 3.300 . 3.300 2.188 2.090 2.894 . 0 0 "[ . 1 . 2]" 5
1234 2 67 MET H 2 67 MET HB2 3.300 . 3.300 2.188 2.089 2.894 . 0 0 "[ . 1 . 2]" 5
1235 1 67 MET H 1 67 MET HB3 3.300 . 3.300 3.139 2.226 3.295 . 0 0 "[ . 1 . 2]" 5
1236 2 67 MET H 2 67 MET HB3 3.300 . 3.300 3.139 2.227 3.295 . 0 0 "[ . 1 . 2]" 5
1237 1 67 MET HB2 1 68 SER H 4.200 . 4.200 3.611 2.856 4.138 . 0 0 "[ . 1 . 2]" 5
1238 2 67 MET HB2 2 68 SER H 4.200 . 4.200 3.611 2.857 4.138 . 0 0 "[ . 1 . 2]" 5
1239 1 67 MET HB3 1 68 SER H 4.200 . 4.200 2.450 1.836 3.917 . 0 0 "[ . 1 . 2]" 5
1240 2 67 MET HB3 2 68 SER H 4.200 . 4.200 2.450 1.836 3.917 . 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 68
_Distance_constraint_stats_list.Viol_count 241
_Distance_constraint_stats_list.Viol_total 53.674
_Distance_constraint_stats_list.Viol_max 0.043
_Distance_constraint_stats_list.Viol_rms 0.0061
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0020
_Distance_constraint_stats_list.Viol_average_violations_only 0.0111
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 8 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 GLU 0.357 0.034 12 0 "[ . 1 . 2]"
1 28 PHE 0.040 0.009 8 0 "[ . 1 . 2]"
1 30 THR 0.274 0.031 14 0 "[ . 1 . 2]"
1 38 ALA 0.274 0.031 14 0 "[ . 1 . 2]"
1 39 VAL 0.066 0.012 16 0 "[ . 1 . 2]"
1 40 VAL 0.040 0.009 8 0 "[ . 1 . 2]"
1 41 PHE 0.026 0.008 16 0 "[ . 1 . 2]"
1 42 VAL 0.357 0.034 12 0 "[ . 1 . 2]"
1 43 THR 0.027 0.006 19 0 "[ . 1 . 2]"
1 47 ARG 0.027 0.006 19 0 "[ . 1 . 2]"
1 49 VAL 0.026 0.008 16 0 "[ . 1 . 2]"
1 51 ALA 0.066 0.012 16 0 "[ . 1 . 2]"
1 58 VAL 0.457 0.043 13 0 "[ . 1 . 2]"
1 59 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 60 GLU 0.012 0.005 10 0 "[ . 1 . 2]"
1 61 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 62 ILE 0.542 0.043 13 0 "[ . 1 . 2]"
1 63 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 64 SER 0.012 0.005 10 0 "[ . 1 . 2]"
1 65 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 66 GLU 0.085 0.010 19 0 "[ . 1 . 2]"
2 8 THR 0.000 0.000 . 0 "[ . 1 . 2]"
2 10 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
2 26 GLU 0.355 0.035 14 0 "[ . 1 . 2]"
2 28 PHE 0.036 0.008 15 0 "[ . 1 . 2]"
2 30 THR 0.283 0.033 14 0 "[ . 1 . 2]"
2 38 ALA 0.283 0.033 14 0 "[ . 1 . 2]"
2 39 VAL 0.062 0.012 16 0 "[ . 1 . 2]"
2 40 VAL 0.036 0.008 15 0 "[ . 1 . 2]"
2 41 PHE 0.028 0.007 16 0 "[ . 1 . 2]"
2 42 VAL 0.355 0.035 14 0 "[ . 1 . 2]"
2 43 THR 0.029 0.006 8 0 "[ . 1 . 2]"
2 47 ARG 0.029 0.006 8 0 "[ . 1 . 2]"
2 49 VAL 0.028 0.007 16 0 "[ . 1 . 2]"
2 51 ALA 0.062 0.012 16 0 "[ . 1 . 2]"
2 58 VAL 0.454 0.043 13 0 "[ . 1 . 2]"
2 59 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
2 60 GLU 0.012 0.004 10 0 "[ . 1 . 2]"
2 61 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
2 62 ILE 0.534 0.043 13 0 "[ . 1 . 2]"
2 63 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
2 64 SER 0.012 0.004 10 0 "[ . 1 . 2]"
2 65 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
2 66 GLU 0.080 0.010 19 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 8 THR H 2 10 CYS O 2.200 . 2.200 2.104 2.089 2.119 . 0 0 "[ . 1 . 2]" 6
2 1 8 THR N 2 10 CYS O 3.300 2.500 3.300 2.926 2.602 3.078 . 0 0 "[ . 1 . 2]" 6
3 1 10 CYS O 2 8 THR H 2.200 . 2.200 2.104 2.089 2.117 . 0 0 "[ . 1 . 2]" 6
4 1 10 CYS O 2 8 THR N 3.300 2.500 3.300 2.926 2.601 3.075 . 0 0 "[ . 1 . 2]" 6
5 1 26 GLU H 1 42 VAL O 2.200 . 2.200 2.217 2.192 2.234 0.034 12 0 "[ . 1 . 2]" 6
6 1 26 GLU N 1 42 VAL O 3.300 2.500 3.300 3.129 3.077 3.197 . 0 0 "[ . 1 . 2]" 6
7 1 28 PHE H 1 40 VAL O 2.200 . 2.200 2.154 2.099 2.209 0.009 8 0 "[ . 1 . 2]" 6
8 1 28 PHE N 1 40 VAL O 3.300 2.500 3.300 2.953 2.890 3.038 . 0 0 "[ . 1 . 2]" 6
9 1 30 THR H 1 38 ALA O 2.200 . 2.200 2.115 2.099 2.203 0.003 5 0 "[ . 1 . 2]" 6
10 1 30 THR N 1 38 ALA O 3.300 2.500 3.300 2.939 2.836 3.035 . 0 0 "[ . 1 . 2]" 6
11 1 30 THR O 1 38 ALA H 2.200 . 2.200 2.212 2.177 2.231 0.031 14 0 "[ . 1 . 2]" 6
12 1 30 THR O 1 38 ALA N 3.300 2.500 3.300 3.119 3.085 3.148 . 0 0 "[ . 1 . 2]" 6
13 1 39 VAL H 1 51 ALA O 2.200 . 2.200 2.164 2.103 2.211 0.011 16 0 "[ . 1 . 2]" 6
14 1 39 VAL N 1 51 ALA O 3.300 2.500 3.300 3.005 2.922 3.076 . 0 0 "[ . 1 . 2]" 6
15 1 28 PHE O 1 40 VAL H 2.200 . 2.200 2.103 2.096 2.147 . 0 0 "[ . 1 . 2]" 6
16 1 28 PHE O 1 40 VAL N 3.300 2.500 3.300 2.741 2.694 2.782 . 0 0 "[ . 1 . 2]" 6
17 1 41 PHE H 1 49 VAL O 2.200 . 2.200 2.136 2.102 2.203 0.003 4 0 "[ . 1 . 2]" 6
18 1 41 PHE N 1 49 VAL O 3.300 2.500 3.300 2.985 2.907 3.089 . 0 0 "[ . 1 . 2]" 6
19 1 26 GLU O 1 42 VAL H 2.200 . 2.200 2.098 2.081 2.124 . 0 0 "[ . 1 . 2]" 6
20 1 26 GLU O 1 42 VAL N 3.300 2.500 3.300 2.869 2.717 2.939 . 0 0 "[ . 1 . 2]" 6
21 1 43 THR H 1 47 ARG O 2.200 . 2.200 2.192 2.116 2.206 0.006 19 0 "[ . 1 . 2]" 6
22 1 43 THR N 1 47 ARG O 3.300 2.500 3.300 3.112 3.046 3.148 . 0 0 "[ . 1 . 2]" 6
23 1 41 PHE O 1 49 VAL H 2.200 . 2.200 2.152 2.103 2.208 0.008 16 0 "[ . 1 . 2]" 6
24 1 41 PHE O 1 49 VAL N 3.300 2.500 3.300 3.027 2.722 3.172 . 0 0 "[ . 1 . 2]" 6
25 1 39 VAL O 1 51 ALA H 2.200 . 2.200 2.174 2.112 2.212 0.012 16 0 "[ . 1 . 2]" 6
26 1 39 VAL O 1 51 ALA N 3.300 2.500 3.300 3.122 3.065 3.179 . 0 0 "[ . 1 . 2]" 6
27 1 58 VAL O 1 62 ILE H 2.200 . 2.200 2.223 2.203 2.243 0.043 13 0 "[ . 1 . 2]" 6
28 1 58 VAL O 1 62 ILE N 3.300 2.500 3.300 3.189 3.169 3.212 . 0 0 "[ . 1 . 2]" 6
29 1 59 ARG O 1 63 ASN H 2.200 . 2.200 2.101 2.080 2.105 . 0 0 "[ . 1 . 2]" 6
30 1 59 ARG O 1 63 ASN N 3.300 2.500 3.300 2.960 2.866 3.049 . 0 0 "[ . 1 . 2]" 6
31 1 60 GLU O 1 64 SER H 2.200 . 2.200 2.146 2.086 2.205 0.005 10 0 "[ . 1 . 2]" 6
32 1 60 GLU O 1 64 SER N 3.300 2.500 3.300 2.986 2.823 3.089 . 0 0 "[ . 1 . 2]" 6
33 1 61 TYR O 1 65 LEU H 2.200 . 2.200 2.108 2.099 2.176 . 0 0 "[ . 1 . 2]" 6
34 1 61 TYR O 1 65 LEU N 3.300 2.500 3.300 2.824 2.648 2.989 . 0 0 "[ . 1 . 2]" 6
35 1 62 ILE O 1 66 GLU H 2.200 . 2.200 2.193 2.102 2.210 0.010 19 0 "[ . 1 . 2]" 6
36 1 62 ILE O 1 66 GLU N 3.300 2.500 3.300 3.123 2.923 3.188 . 0 0 "[ . 1 . 2]" 6
37 2 26 GLU H 2 42 VAL O 2.200 . 2.200 2.217 2.191 2.235 0.035 14 0 "[ . 1 . 2]" 6
38 2 26 GLU N 2 42 VAL O 3.300 2.500 3.300 3.129 3.077 3.196 . 0 0 "[ . 1 . 2]" 6
39 2 28 PHE H 2 40 VAL O 2.200 . 2.200 2.154 2.101 2.208 0.008 15 0 "[ . 1 . 2]" 6
40 2 28 PHE N 2 40 VAL O 3.300 2.500 3.300 2.954 2.890 3.037 . 0 0 "[ . 1 . 2]" 6
41 2 30 THR H 2 38 ALA O 2.200 . 2.200 2.115 2.098 2.204 0.004 5 0 "[ . 1 . 2]" 6
42 2 30 THR N 2 38 ALA O 3.300 2.500 3.300 2.939 2.837 3.034 . 0 0 "[ . 1 . 2]" 6
43 2 30 THR O 2 38 ALA H 2.200 . 2.200 2.213 2.177 2.233 0.033 14 0 "[ . 1 . 2]" 6
44 2 30 THR O 2 38 ALA N 3.300 2.500 3.300 3.120 3.084 3.149 . 0 0 "[ . 1 . 2]" 6
45 2 39 VAL H 2 51 ALA O 2.200 . 2.200 2.163 2.102 2.210 0.010 16 0 "[ . 1 . 2]" 6
46 2 39 VAL N 2 51 ALA O 3.300 2.500 3.300 3.004 2.921 3.075 . 0 0 "[ . 1 . 2]" 6
47 2 28 PHE O 2 40 VAL H 2.200 . 2.200 2.103 2.096 2.147 . 0 0 "[ . 1 . 2]" 6
48 2 28 PHE O 2 40 VAL N 3.300 2.500 3.300 2.741 2.694 2.780 . 0 0 "[ . 1 . 2]" 6
49 2 41 PHE H 2 49 VAL O 2.200 . 2.200 2.136 2.104 2.204 0.004 4 0 "[ . 1 . 2]" 6
50 2 41 PHE N 2 49 VAL O 3.300 2.500 3.300 2.985 2.907 3.089 . 0 0 "[ . 1 . 2]" 6
51 2 26 GLU O 2 42 VAL H 2.200 . 2.200 2.099 2.082 2.125 . 0 0 "[ . 1 . 2]" 6
52 2 26 GLU O 2 42 VAL N 3.300 2.500 3.300 2.869 2.719 2.939 . 0 0 "[ . 1 . 2]" 6
53 2 43 THR H 2 47 ARG O 2.200 . 2.200 2.192 2.116 2.206 0.006 8 0 "[ . 1 . 2]" 6
54 2 43 THR N 2 47 ARG O 3.300 2.500 3.300 3.112 3.046 3.147 . 0 0 "[ . 1 . 2]" 6
55 2 41 PHE O 2 49 VAL H 2.200 . 2.200 2.152 2.103 2.207 0.007 16 0 "[ . 1 . 2]" 6
56 2 41 PHE O 2 49 VAL N 3.300 2.500 3.300 3.027 2.723 3.173 . 0 0 "[ . 1 . 2]" 6
57 2 39 VAL O 2 51 ALA H 2.200 . 2.200 2.174 2.112 2.212 0.012 16 0 "[ . 1 . 2]" 6
58 2 39 VAL O 2 51 ALA N 3.300 2.500 3.300 3.122 3.066 3.179 . 0 0 "[ . 1 . 2]" 6
59 2 58 VAL O 2 62 ILE H 2.200 . 2.200 2.223 2.204 2.243 0.043 13 0 "[ . 1 . 2]" 6
60 2 58 VAL O 2 62 ILE N 3.300 2.500 3.300 3.189 3.169 3.211 . 0 0 "[ . 1 . 2]" 6
61 2 59 ARG O 2 63 ASN H 2.200 . 2.200 2.102 2.081 2.106 . 0 0 "[ . 1 . 2]" 6
62 2 59 ARG O 2 63 ASN N 3.300 2.500 3.300 2.960 2.867 3.048 . 0 0 "[ . 1 . 2]" 6
63 2 60 GLU O 2 64 SER H 2.200 . 2.200 2.146 2.085 2.204 0.004 10 0 "[ . 1 . 2]" 6
64 2 60 GLU O 2 64 SER N 3.300 2.500 3.300 2.985 2.823 3.089 . 0 0 "[ . 1 . 2]" 6
65 2 61 TYR O 2 65 LEU H 2.200 . 2.200 2.108 2.098 2.175 . 0 0 "[ . 1 . 2]" 6
66 2 61 TYR O 2 65 LEU N 3.300 2.500 3.300 2.824 2.648 2.988 . 0 0 "[ . 1 . 2]" 6
67 2 62 ILE O 2 66 GLU H 2.200 . 2.200 2.193 2.103 2.210 0.010 19 0 "[ . 1 . 2]" 6
68 2 62 ILE O 2 66 GLU N 3.300 2.500 3.300 3.123 2.923 3.190 . 0 0 "[ . 1 . 2]" 6
stop_
save_
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