NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
513335 |
2lbm   |
17569 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2lbm
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 27
_Distance_constraint_stats_list.Viol_count 195
_Distance_constraint_stats_list.Viol_total 328.956
_Distance_constraint_stats_list.Viol_max 0.176
_Distance_constraint_stats_list.Viol_rms 0.0419
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0195
_Distance_constraint_stats_list.Viol_average_violations_only 0.0675
_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 64 GLU 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 74 ASN 2.122 0.164 20 0 "[ . 1 . 2 .]"
1 75 LEU 3.929 0.176 8 0 "[ . 1 . 2 .]"
1 76 ILE 7.026 0.165 20 0 "[ . 1 . 2 .]"
1 77 CYS 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 102 ILE 0.053 0.051 11 0 "[ . 1 . 2 .]"
1 103 MET 0.027 0.010 19 0 "[ . 1 . 2 .]"
1 109 TRP 0.002 0.002 1 0 "[ . 1 . 2 .]"
2 1 ALA 0.555 0.051 11 0 "[ . 1 . 2 .]"
2 3 THR 8.674 0.165 20 0 "[ . 1 . 2 .]"
2 4 LYS 3.929 0.176 8 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 76 ILE MG 2 1 ALA HA 5.000 . 5.000 4.890 4.322 5.024 0.024 24 0 "[ . 1 . 2 .]" 1
2 1 76 ILE MG 2 1 ALA MB 2.800 . 2.800 2.791 2.470 2.851 0.051 22 0 "[ . 1 . 2 .]" 1
3 1 76 ILE MD 2 1 ALA MB 5.000 . 5.000 4.250 3.945 4.576 . 0 0 "[ . 1 . 2 .]" 1
4 1 102 ILE MG 2 1 ALA MB 2.800 . 2.800 2.519 2.371 2.663 . 0 0 "[ . 1 . 2 .]" 1
5 1 102 ILE MD 2 1 ALA MB 5.000 . 5.000 4.942 4.869 5.051 0.051 11 0 "[ . 1 . 2 .]" 1
6 1 109 TRP HE3 2 1 ALA MB 3.500 . 3.500 2.971 2.565 3.502 0.002 1 0 "[ . 1 . 2 .]" 1
7 1 103 MET ME 2 1 ALA MB 5.000 . 5.000 4.897 4.530 5.010 0.010 19 0 "[ . 1 . 2 .]" 1
8 1 74 ASN HA 2 3 THR MG 5.000 . 5.000 5.085 5.030 5.164 0.164 20 0 "[ . 1 . 2 .]" 1
9 1 76 ILE HA 2 3 THR HA 2.300 . 2.300 2.031 1.962 2.128 . 0 0 "[ . 1 . 2 .]" 1
10 1 76 ILE MG 2 3 THR HA 3.500 . 3.500 3.578 3.548 3.614 0.114 11 0 "[ . 1 . 2 .]" 1
11 1 76 ILE MD 2 3 THR HA 5.000 . 5.000 4.705 4.609 4.829 . 0 0 "[ . 1 . 2 .]" 1
12 1 76 ILE HA 2 3 THR HB 3.500 . 3.500 3.532 3.433 3.622 0.122 21 0 "[ . 1 . 2 .]" 1
13 1 76 ILE MG 2 3 THR HB 5.000 . 5.000 4.730 4.551 4.959 . 0 0 "[ . 1 . 2 .]" 1
14 1 76 ILE MD 2 3 THR HB 5.000 . 5.000 4.611 4.377 4.833 . 0 0 "[ . 1 . 2 .]" 1
15 1 77 CYS H 2 3 THR HA 3.500 . 3.500 2.719 2.267 3.013 . 0 0 "[ . 1 . 2 .]" 1
16 1 76 ILE HA 2 3 THR MG 5.000 . 5.000 2.038 1.916 2.446 . 0 0 "[ . 1 . 2 .]" 1
17 1 76 ILE QG 2 3 THR MG 3.500 . 3.500 1.812 1.799 1.859 . 0 0 "[ . 1 . 2 .]" 1
18 1 76 ILE MD 2 3 THR MG 2.300 . 2.300 2.448 2.429 2.465 0.165 20 0 "[ . 1 . 2 .]" 1
19 1 76 ILE MG 2 3 THR MG 5.000 . 5.000 2.339 2.184 2.551 . 0 0 "[ . 1 . 2 .]" 1
20 1 103 MET ME 2 3 THR HA 5.000 . 5.000 4.620 4.233 5.000 . 11 0 "[ . 1 . 2 .]" 1
21 1 103 MET ME 2 3 THR HB 5.000 . 5.000 3.992 3.282 4.681 . 0 0 "[ . 1 . 2 .]" 1
22 1 103 MET ME 2 3 THR MG 3.500 . 3.500 2.172 1.786 2.645 . 0 0 "[ . 1 . 2 .]" 1
23 1 64 GLU HA 2 4 LYS QE 5.000 . 5.000 2.104 1.862 2.795 . 0 0 "[ . 1 . 2 .]" 1
24 1 64 GLU HA 2 4 LYS QD 5.000 . 5.000 3.412 2.476 4.257 . 0 0 "[ . 1 . 2 .]" 1
25 1 75 LEU QD 2 4 LYS HA 5.000 . 5.000 5.123 5.033 5.176 0.176 8 0 "[ . 1 . 2 .]" 1
26 1 75 LEU QD 2 4 LYS QD 3.500 . 3.500 3.322 2.667 3.548 0.048 16 0 "[ . 1 . 2 .]" 1
27 1 75 LEU QD 2 4 LYS QE 2.800 . 2.800 2.780 1.902 2.858 0.058 20 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 7
_Distance_constraint_stats_list.Viol_count 80
_Distance_constraint_stats_list.Viol_total 84.611
_Distance_constraint_stats_list.Viol_max 0.150
_Distance_constraint_stats_list.Viol_rms 0.0272
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0193
_Distance_constraint_stats_list.Viol_average_violations_only 0.0423
_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 64 GLU 0.877 0.056 14 0 "[ . 1 . 2 .]"
1 74 ASN 1.375 0.150 6 0 "[ . 1 . 2 .]"
1 75 LEU 1.132 0.089 16 0 "[ . 1 . 2 .]"
2 5 GLN 2.298 0.150 6 0 "[ . 1 . 2 .]"
2 6 THR 1.086 0.071 18 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 74 ASN HA 2 5 GLN HA 2.300 . 2.300 2.178 1.920 2.264 . 0 0 "[ . 1 . 2 .]" 2
2 1 74 ASN QB 2 5 GLN HA 3.500 . 3.500 3.555 3.531 3.650 0.150 6 0 "[ . 1 . 2 .]" 2
3 1 74 ASN HA 2 5 GLN QB 5.000 . 5.000 3.852 3.306 4.159 . 0 0 "[ . 1 . 2 .]" 2
4 1 74 ASN HA 2 5 GLN QG 3.500 . 3.500 2.891 2.391 3.451 . 0 0 "[ . 1 . 2 .]" 2
5 1 75 LEU H 2 5 GLN HA 3.500 . 3.500 3.500 3.025 3.589 0.089 16 0 "[ . 1 . 2 .]" 2
6 1 64 GLU HA 2 6 THR MG 3.500 . 3.500 3.535 3.520 3.556 0.056 14 0 "[ . 1 . 2 .]" 2
7 1 75 LEU QD 2 6 THR MG 2.800 . 2.800 2.554 1.937 2.871 0.071 18 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 1237
_Distance_constraint_stats_list.Viol_count 5843
_Distance_constraint_stats_list.Viol_total 8034.531
_Distance_constraint_stats_list.Viol_max 0.310
_Distance_constraint_stats_list.Viol_rms 0.0279
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0104
_Distance_constraint_stats_list.Viol_average_violations_only 0.0550
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 2 ALA 0.320 0.108 14 0 "[ . 1 . 2 .]"
1 3 MET 1.092 0.109 12 0 "[ . 1 . 2 .]"
1 4 ALA 0.982 0.109 12 0 "[ . 1 . 2 .]"
1 5 ASP 0.421 0.106 8 0 "[ . 1 . 2 .]"
1 6 LYS 0.464 0.107 15 0 "[ . 1 . 2 .]"
1 7 ARG 0.214 0.107 15 0 "[ . 1 . 2 .]"
1 9 ASP 0.176 0.107 1 0 "[ . 1 . 2 .]"
1 10 GLY 0.147 0.107 1 0 "[ . 1 . 2 .]"
1 11 LEU 0.011 0.009 19 0 "[ . 1 . 2 .]"
1 12 HIS 0.001 0.001 15 0 "[ . 1 . 2 .]"
1 13 GLY 0.261 0.098 19 0 "[ . 1 . 2 .]"
1 14 ILE 3.709 0.127 14 0 "[ . 1 . 2 .]"
1 15 VAL 3.546 0.147 11 0 "[ . 1 . 2 .]"
1 16 SER 2.660 0.147 11 0 "[ . 1 . 2 .]"
1 17 CYS 12.712 0.204 18 0 "[ . 1 . 2 .]"
1 18 THR 0.253 0.030 2 0 "[ . 1 . 2 .]"
1 19 ALA 3.808 0.069 18 0 "[ . 1 . 2 .]"
1 20 CYS 7.723 0.114 11 0 "[ . 1 . 2 .]"
1 21 GLY 3.510 0.102 11 0 "[ . 1 . 2 .]"
1 22 GLN 2.290 0.080 23 0 "[ . 1 . 2 .]"
1 23 GLN 7.218 0.198 18 0 "[ . 1 . 2 .]"
1 24 VAL 9.445 0.165 1 0 "[ . 1 . 2 .]"
1 25 ASN 2.587 0.157 10 0 "[ . 1 . 2 .]"
1 27 PHE 6.140 0.141 13 0 "[ . 1 . 2 .]"
1 28 GLN 2.140 0.092 24 0 "[ . 1 . 2 .]"
1 29 LYS 4.815 0.139 14 0 "[ . 1 . 2 .]"
1 30 ASP 5.099 0.255 14 0 "[ . 1 . 2 .]"
1 31 SER 9.241 0.181 24 0 "[ . 1 . 2 .]"
1 32 ILE 8.680 0.150 24 0 "[ . 1 . 2 .]"
1 33 TYR 12.847 0.213 3 0 "[ . 1 . 2 .]"
1 34 ARG 2.984 0.122 4 0 "[ . 1 . 2 .]"
1 35 HIS 4.918 0.118 3 0 "[ . 1 . 2 .]"
1 36 PRO 3.652 0.102 22 0 "[ . 1 . 2 .]"
1 37 SER 2.938 0.143 3 0 "[ . 1 . 2 .]"
1 38 LEU 5.122 0.118 3 0 "[ . 1 . 2 .]"
1 39 GLN 4.773 0.163 19 0 "[ . 1 . 2 .]"
1 40 VAL 5.946 0.163 19 0 "[ . 1 . 2 .]"
1 41 LEU 1.720 0.047 15 0 "[ . 1 . 2 .]"
1 42 ILE 8.397 0.147 19 0 "[ . 1 . 2 .]"
1 43 CYS 5.427 0.204 18 0 "[ . 1 . 2 .]"
1 44 LYS 7.858 0.213 3 0 "[ . 1 . 2 .]"
1 45 ASN 6.882 0.100 19 0 "[ . 1 . 2 .]"
1 46 CYS 3.855 0.094 6 0 "[ . 1 . 2 .]"
1 47 PHE 8.785 0.183 22 0 "[ . 1 . 2 .]"
1 48 LYS 1.792 0.053 10 0 "[ . 1 . 2 .]"
1 49 TYR 1.957 0.069 8 0 "[ . 1 . 2 .]"
1 50 TYR 9.450 0.118 25 0 "[ . 1 . 2 .]"
1 51 MET 4.296 0.084 9 0 "[ . 1 . 2 .]"
1 52 SER 4.927 0.085 20 0 "[ . 1 . 2 .]"
1 53 ASP 4.863 0.118 25 0 "[ . 1 . 2 .]"
1 54 ASP 2.460 0.109 3 0 "[ . 1 . 2 .]"
1 55 ILE 4.679 0.115 16 0 "[ . 1 . 2 .]"
1 56 SER 1.033 0.107 8 0 "[ . 1 . 2 .]"
1 57 ARG 0.397 0.096 19 0 "[ . 1 . 2 .]"
1 58 ASP 3.049 0.137 19 0 "[ . 1 . 2 .]"
1 59 SER 0.493 0.120 19 0 "[ . 1 . 2 .]"
1 60 ASP 1.955 0.196 3 0 "[ . 1 . 2 .]"
1 61 GLY 0.379 0.056 15 0 "[ . 1 . 2 .]"
1 62 MET 2.645 0.196 3 0 "[ . 1 . 2 .]"
1 63 ASP 1.331 0.115 16 0 "[ . 1 . 2 .]"
1 64 GLU 4.561 0.140 16 0 "[ . 1 . 2 .]"
1 65 GLN 3.398 0.140 16 0 "[ . 1 . 2 .]"
1 66 CYS 5.001 0.118 17 0 "[ . 1 . 2 .]"
1 67 ARG 2.988 0.081 24 0 "[ . 1 . 2 .]"
1 68 TRP 12.774 0.207 12 0 "[ . 1 . 2 .]"
1 69 CYS 2.065 0.075 25 0 "[ . 1 . 2 .]"
1 70 ALA 3.470 0.095 25 0 "[ . 1 . 2 .]"
1 71 GLU 1.787 0.095 16 0 "[ . 1 . 2 .]"
1 72 GLY 0.459 0.069 22 0 "[ . 1 . 2 .]"
1 73 GLY 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 74 ASN 0.132 0.059 21 0 "[ . 1 . 2 .]"
1 75 LEU 6.880 0.180 23 0 "[ . 1 . 2 .]"
1 76 ILE 8.472 0.171 21 0 "[ . 1 . 2 .]"
1 77 CYS 2.294 0.160 20 0 "[ . 1 . 2 .]"
1 78 CYS 1.428 0.060 10 0 "[ . 1 . 2 .]"
1 79 ASP 0.024 0.024 24 0 "[ . 1 . 2 .]"
1 80 PHE 8.637 0.151 12 0 "[ . 1 . 2 .]"
1 81 CYS 0.002 0.001 18 0 "[ . 1 . 2 .]"
1 82 HIS 3.291 0.161 18 0 "[ . 1 . 2 .]"
1 83 ASN 4.745 0.161 18 0 "[ . 1 . 2 .]"
1 84 ALA 2.316 0.110 24 0 "[ . 1 . 2 .]"
1 85 PHE 7.101 0.230 3 0 "[ . 1 . 2 .]"
1 86 CYS 3.821 0.230 3 0 "[ . 1 . 2 .]"
1 87 LYS 4.105 0.180 23 0 "[ . 1 . 2 .]"
1 88 LYS 5.126 0.105 7 0 "[ . 1 . 2 .]"
1 89 CYS 2.661 0.060 18 0 "[ . 1 . 2 .]"
1 90 ILE 10.293 0.310 17 0 "[ . 1 . 2 .]"
1 91 LEU 4.521 0.094 8 0 "[ . 1 . 2 .]"
1 92 ARG 2.152 0.079 6 0 "[ . 1 . 2 .]"
1 93 ASN 10.370 0.310 17 0 "[ . 1 . 2 .]"
1 94 LEU 14.750 0.207 12 0 "[ . 1 . 2 .]"
1 95 GLY 5.473 0.094 8 0 "[ . 1 . 2 .]"
1 96 ARG 2.602 0.101 17 0 "[ . 1 . 2 .]"
1 97 LYS 3.331 0.101 17 0 "[ . 1 . 2 .]"
1 98 GLU 6.299 0.117 18 0 "[ . 1 . 2 .]"
1 99 LEU 6.477 0.094 17 0 "[ . 1 . 2 .]"
1 100 SER 2.787 0.067 7 0 "[ . 1 . 2 .]"
1 101 THR 2.488 0.083 22 0 "[ . 1 . 2 .]"
1 102 ILE 14.686 0.177 9 0 "[ . 1 . 2 .]"
1 103 MET 5.274 0.084 2 0 "[ . 1 . 2 .]"
1 104 ASP 4.138 0.108 14 0 "[ . 1 . 2 .]"
1 105 GLU 1.404 0.071 24 0 "[ . 1 . 2 .]"
1 106 ASN 3.841 0.108 14 0 "[ . 1 . 2 .]"
1 107 ASN 2.459 0.113 12 0 "[ . 1 . 2 .]"
1 108 GLN 4.443 0.113 12 0 "[ . 1 . 2 .]"
1 109 TRP 10.094 0.157 21 0 "[ . 1 . 2 .]"
1 110 TYR 14.447 0.232 24 0 "[ . 1 . 2 .]"
1 111 CYS 1.820 0.110 3 0 "[ . 1 . 2 .]"
1 112 TYR 5.263 0.193 23 0 "[ . 1 . 2 .]"
1 113 ILE 16.909 0.187 21 0 "[ . 1 . 2 .]"
1 114 CYS 6.665 0.130 23 0 "[ . 1 . 2 .]"
1 115 HIS 2.910 0.232 24 0 "[ . 1 . 2 .]"
1 116 PRO 4.192 0.193 23 0 "[ . 1 . 2 .]"
1 117 GLU 4.639 0.146 16 0 "[ . 1 . 2 .]"
1 118 PRO 2.891 0.146 16 0 "[ . 1 . 2 .]"
1 119 LEU 4.914 0.161 1 0 "[ . 1 . 2 .]"
1 120 LEU 3.074 0.080 7 0 "[ . 1 . 2 .]"
1 121 ASP 5.361 0.081 14 0 "[ . 1 . 2 .]"
1 122 LEU 7.434 0.096 7 0 "[ . 1 . 2 .]"
1 123 VAL 6.904 0.096 7 0 "[ . 1 . 2 .]"
1 124 THR 2.575 0.088 25 0 "[ . 1 . 2 .]"
1 125 ALA 3.392 0.094 10 0 "[ . 1 . 2 .]"
1 126 CYS 4.043 0.080 2 0 "[ . 1 . 2 .]"
1 127 ASN 4.328 0.082 23 0 "[ . 1 . 2 .]"
1 128 SER 4.758 0.085 25 0 "[ . 1 . 2 .]"
1 129 VAL 11.741 0.165 1 0 "[ . 1 . 2 .]"
1 130 PHE 11.954 0.122 4 0 "[ . 1 . 2 .]"
1 131 GLU 6.608 0.089 12 0 "[ . 1 . 2 .]"
1 132 ASN 8.073 0.141 10 0 "[ . 1 . 2 .]"
1 133 LEU 6.769 0.274 23 0 "[ . 1 . 2 .]"
1 134 GLU 5.303 0.087 24 0 "[ . 1 . 2 .]"
1 135 GLN 3.686 0.087 24 0 "[ . 1 . 2 .]"
1 136 LEU 6.719 0.113 10 0 "[ . 1 . 2 .]"
1 137 LEU 3.586 0.085 8 0 "[ . 1 . 2 .]"
1 138 GLN 0.586 0.035 3 0 "[ . 1 . 2 .]"
1 139 GLN 0.607 0.087 14 0 "[ . 1 . 2 .]"
1 140 ASN 0.087 0.087 14 0 "[ . 1 . 2 .]"
1 141 LYS 0.319 0.108 3 0 "[ . 1 . 2 .]"
1 142 LYS 0.319 0.108 3 0 "[ . 1 . 2 .]"
2 2 ARG 0.684 0.066 12 0 "[ . 1 . 2 .]"
2 3 THR 1.946 0.122 7 0 "[ . 1 . 2 .]"
2 4 LYS 1.356 0.122 7 0 "[ . 1 . 2 .]"
2 5 GLN 0.094 0.073 20 0 "[ . 1 . 2 .]"
2 6 THR 0.035 0.010 24 0 "[ . 1 . 2 .]"
2 7 ALA 0.227 0.021 12 0 "[ . 1 . 2 .]"
2 8 ARG 0.281 0.026 20 0 "[ . 1 . 2 .]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 72 GLY H 2 8 ARG HA 2.800 . 2.800 2.604 2.267 2.826 0.026 20 0 "[ . 1 . 2 .]" 3
2 1 72 GLY QA 2 8 ARG HA 5.000 . 5.000 2.528 1.985 3.310 . 0 0 "[ . 1 . 2 .]" 3
3 2 2 ARG HA 2 3 THR H 2.300 . 2.300 2.325 2.258 2.366 0.066 12 0 "[ . 1 . 2 .]" 3
4 2 3 THR HA 2 4 LYS H 2.300 . 2.300 2.348 2.244 2.422 0.122 7 0 "[ . 1 . 2 .]" 3
5 2 4 LYS HA 2 5 GLN H 2.300 . 2.300 2.262 2.230 2.373 0.073 20 0 "[ . 1 . 2 .]" 3
6 2 5 GLN HA 2 6 THR H 2.800 . 2.800 2.389 2.257 2.500 . 0 0 "[ . 1 . 2 .]" 3
7 2 6 THR HA 2 7 ALA H 2.800 . 2.800 2.753 2.640 2.810 0.010 24 0 "[ . 1 . 2 .]" 3
8 2 7 ALA HA 2 8 ARG H 2.800 . 2.800 2.742 2.407 2.821 0.021 12 0 "[ . 1 . 2 .]" 3
9 1 2 ALA HA 1 3 MET H 3.500 . 3.500 2.644 2.254 3.608 0.108 14 0 "[ . 1 . 2 .]" 3
10 1 3 MET HA 1 4 ALA H 3.500 . 3.500 2.782 2.252 3.609 0.109 12 0 "[ . 1 . 2 .]" 3
11 1 3 MET QB 1 4 ALA H 3.500 . 3.500 2.648 2.120 3.512 0.012 14 0 "[ . 1 . 2 .]" 3
12 1 4 ALA HA 1 5 ASP H 3.500 . 3.500 2.502 2.254 3.606 0.106 14 0 "[ . 1 . 2 .]" 3
13 1 4 ALA MB 1 5 ASP H 3.500 . 3.500 2.882 2.116 3.476 . 0 0 "[ . 1 . 2 .]" 3
14 1 5 ASP HA 1 6 LYS H 3.500 . 3.500 2.664 2.252 3.606 0.106 8 0 "[ . 1 . 2 .]" 3
15 1 6 LYS H 1 6 LYS QG 5.000 . 5.000 3.388 2.687 4.132 . 0 0 "[ . 1 . 2 .]" 3
16 1 6 LYS HA 1 7 ARG H 3.500 . 3.500 2.603 2.254 3.607 0.107 15 0 "[ . 1 . 2 .]" 3
17 1 6 LYS QB 1 9 ASP H 3.500 . 3.500 3.306 2.793 3.520 0.020 10 0 "[ . 1 . 2 .]" 3
18 1 9 ASP H 1 10 GLY H 5.000 . 5.000 4.392 2.360 4.735 . 0 0 "[ . 1 . 2 .]" 3
19 1 9 ASP HA 1 10 GLY H 3.500 . 3.500 2.471 2.249 3.607 0.107 1 0 "[ . 1 . 2 .]" 3
20 1 9 ASP QB 1 10 GLY H 3.500 . 3.500 2.987 2.151 3.524 0.024 11 0 "[ . 1 . 2 .]" 3
21 1 10 GLY H 1 11 LEU H 3.500 . 3.500 2.958 2.346 3.509 0.009 19 0 "[ . 1 . 2 .]" 3
22 1 10 GLY QA 1 11 LEU H 3.500 . 3.500 2.482 2.211 2.760 . 0 0 "[ . 1 . 2 .]" 3
23 1 11 LEU H 1 11 LEU QD 5.000 . 5.000 3.372 2.129 3.972 . 0 0 "[ . 1 . 2 .]" 3
24 1 11 LEU HA 1 12 HIS H 2.800 . 2.800 2.446 2.255 2.801 0.001 15 0 "[ . 1 . 2 .]" 3
25 1 11 LEU QB 1 12 HIS H 5.000 . 5.000 3.413 2.170 4.086 . 0 0 "[ . 1 . 2 .]" 3
26 1 12 HIS HA 1 13 GLY H 2.800 . 2.800 2.405 2.254 2.792 . 0 0 "[ . 1 . 2 .]" 3
27 1 13 GLY QA 1 14 ILE H 2.300 . 2.300 2.274 2.202 2.398 0.098 19 0 "[ . 1 . 2 .]" 3
28 1 14 ILE H 1 14 ILE HB 2.800 . 2.800 2.577 2.338 2.700 . 0 0 "[ . 1 . 2 .]" 3
29 1 14 ILE H 1 15 VAL H 5.000 . 5.000 4.416 3.735 4.747 . 0 0 "[ . 1 . 2 .]" 3
30 1 14 ILE HA 1 15 VAL H 2.300 . 2.300 2.329 2.229 2.393 0.093 15 0 "[ . 1 . 2 .]" 3
31 1 14 ILE HB 1 15 VAL H 5.000 . 5.000 4.060 3.744 4.571 . 0 0 "[ . 1 . 2 .]" 3
32 1 14 ILE MG 1 16 SER H 5.000 . 5.000 3.812 3.142 5.043 0.043 11 0 "[ . 1 . 2 .]" 3
33 1 14 ILE MG 1 16 SER QB 5.000 . 5.000 3.138 2.303 4.077 . 0 0 "[ . 1 . 2 .]" 3
34 1 14 ILE HA 1 23 GLN QE 5.000 . 5.000 4.515 3.391 5.068 0.068 11 0 "[ . 1 . 2 .]" 3
35 1 14 ILE MG 1 23 GLN QB 3.500 . 3.500 3.141 1.704 3.546 0.046 10 0 "[ . 1 . 2 .]" 3
36 1 14 ILE MG 1 23 GLN QG 2.800 . 2.800 2.056 1.738 2.927 0.127 14 0 "[ . 1 . 2 .]" 3
37 1 14 ILE MG 1 23 GLN QE 3.500 . 3.500 2.518 2.020 3.486 . 0 0 "[ . 1 . 2 .]" 3
38 1 14 ILE MD 1 23 GLN H 5.000 . 5.000 5.063 4.858 5.101 0.101 9 0 "[ . 1 . 2 .]" 3
39 1 15 VAL H 1 15 VAL HB 2.800 . 2.800 2.407 2.350 2.702 . 0 0 "[ . 1 . 2 .]" 3
40 1 15 VAL H 1 15 VAL QG 3.500 . 3.500 2.370 2.066 2.563 . 0 0 "[ . 1 . 2 .]" 3
41 1 15 VAL H 1 16 SER H 5.000 . 5.000 4.213 4.078 4.763 . 0 0 "[ . 1 . 2 .]" 3
42 1 15 VAL HA 1 16 SER H 2.300 . 2.300 2.346 2.272 2.447 0.147 11 0 "[ . 1 . 2 .]" 3
43 1 15 VAL HB 1 16 SER H 5.000 . 5.000 4.514 3.989 4.659 . 0 0 "[ . 1 . 2 .]" 3
44 1 15 VAL QG 1 16 SER H 3.500 . 3.500 3.276 2.044 3.434 . 0 0 "[ . 1 . 2 .]" 3
45 1 15 VAL H 1 23 GLN HA 5.000 . 5.000 4.868 4.284 5.060 0.060 14 0 "[ . 1 . 2 .]" 3
46 1 15 VAL QG 1 23 GLN HA 5.000 . 5.000 4.140 2.721 4.431 . 0 0 "[ . 1 . 2 .]" 3
47 1 15 VAL QG 1 24 VAL QG 2.800 . 2.800 2.757 2.216 2.864 0.064 3 0 "[ . 1 . 2 .]" 3
48 1 15 VAL QG 1 41 LEU QD 2.800 . 2.800 2.656 2.220 2.823 0.023 21 0 "[ . 1 . 2 .]" 3
49 1 15 VAL QG 1 129 VAL QG 2.800 . 2.800 1.507 1.448 1.587 . 0 0 "[ . 1 . 2 .]" 3
50 1 16 SER H 1 16 SER QB 3.500 . 3.500 3.027 2.282 3.300 . 0 0 "[ . 1 . 2 .]" 3
51 1 16 SER H 1 17 CYS H 5.000 . 5.000 4.434 4.015 4.493 . 0 0 "[ . 1 . 2 .]" 3
52 1 16 SER HA 1 17 CYS H 2.300 . 2.300 2.253 2.190 2.295 . 0 0 "[ . 1 . 2 .]" 3
53 1 16 SER QB 1 17 CYS H 3.500 . 3.500 3.011 2.892 3.498 . 0 0 "[ . 1 . 2 .]" 3
54 1 16 SER QB 1 21 GLY QA 3.500 . 3.500 3.540 3.429 3.580 0.080 15 0 "[ . 1 . 2 .]" 3
55 1 16 SER HA 1 22 GLN H 5.000 . 5.000 4.458 3.992 4.631 . 0 0 "[ . 1 . 2 .]" 3
56 1 16 SER QB 1 22 GLN H 5.000 . 5.000 3.036 2.748 3.800 . 0 0 "[ . 1 . 2 .]" 3
57 1 16 SER H 1 23 GLN HA 5.000 . 5.000 4.116 3.901 4.250 . 0 0 "[ . 1 . 2 .]" 3
58 1 16 SER HA 1 23 GLN H 5.000 . 5.000 4.206 3.935 4.348 . 0 0 "[ . 1 . 2 .]" 3
59 1 16 SER HA 1 23 GLN HA 2.300 . 2.300 1.877 1.808 1.973 . 0 0 "[ . 1 . 2 .]" 3
60 1 16 SER HA 1 23 GLN QB 5.000 . 5.000 4.033 3.671 4.193 . 0 0 "[ . 1 . 2 .]" 3
61 1 16 SER QB 1 23 GLN HA 3.500 . 3.500 2.145 1.940 3.206 . 0 0 "[ . 1 . 2 .]" 3
62 1 16 SER H 1 24 VAL H 5.000 . 5.000 4.934 4.462 5.058 0.058 16 0 "[ . 1 . 2 .]" 3
63 1 16 SER HA 1 24 VAL H 3.500 . 3.500 2.659 2.378 3.508 0.008 11 0 "[ . 1 . 2 .]" 3
64 1 16 SER HA 1 24 VAL QG 3.500 . 3.500 2.705 2.442 3.510 0.010 11 0 "[ . 1 . 2 .]" 3
65 1 16 SER QB 1 24 VAL H 5.000 . 5.000 4.083 3.855 4.979 . 0 0 "[ . 1 . 2 .]" 3
66 1 17 CYS H 1 17 CYS QB 2.800 . 2.800 2.200 2.183 2.212 . 0 0 "[ . 1 . 2 .]" 3
67 1 17 CYS H 1 18 THR H 5.000 . 5.000 4.772 4.749 4.781 . 0 0 "[ . 1 . 2 .]" 3
68 1 17 CYS HA 1 18 THR H 2.800 . 2.800 2.411 2.353 2.428 . 0 0 "[ . 1 . 2 .]" 3
69 1 17 CYS HA 1 19 ALA H 5.000 . 5.000 4.305 4.187 4.330 . 0 0 "[ . 1 . 2 .]" 3
70 1 17 CYS HB3 1 20 CYS H 2.800 . 2.800 2.838 2.822 2.851 0.051 7 0 "[ . 1 . 2 .]" 3
71 1 17 CYS HB2 1 20 CYS H 5.000 . 5.000 4.225 4.206 4.240 . 0 0 "[ . 1 . 2 .]" 3
72 1 17 CYS H 1 21 GLY H 5.000 . 5.000 4.329 4.111 4.419 . 0 0 "[ . 1 . 2 .]" 3
73 1 17 CYS HB3 1 21 GLY H 3.500 . 3.500 2.620 2.535 2.685 . 0 0 "[ . 1 . 2 .]" 3
74 1 17 CYS H 1 22 GLN H 3.500 . 3.500 3.326 3.102 3.402 . 0 0 "[ . 1 . 2 .]" 3
75 1 17 CYS HB3 1 22 GLN H 2.800 . 2.800 2.852 2.817 2.880 0.080 23 0 "[ . 1 . 2 .]" 3
76 1 17 CYS HB2 1 22 GLN H 5.000 . 5.000 4.203 4.147 4.246 . 0 0 "[ . 1 . 2 .]" 3
77 1 17 CYS H 1 23 GLN HA 3.500 . 3.500 3.654 3.540 3.698 0.198 18 0 "[ . 1 . 2 .]" 3
78 1 17 CYS H 1 24 VAL H 5.000 . 5.000 3.961 3.768 4.174 . 0 0 "[ . 1 . 2 .]" 3
79 1 17 CYS H 1 24 VAL QG 5.000 . 5.000 2.477 2.272 2.924 . 0 0 "[ . 1 . 2 .]" 3
80 1 17 CYS HA 1 24 VAL QG 5.000 . 5.000 3.639 3.382 3.973 . 0 0 "[ . 1 . 2 .]" 3
81 1 17 CYS QB 1 24 VAL QG 5.000 . 5.000 2.910 2.712 3.154 . 0 0 "[ . 1 . 2 .]" 3
82 1 17 CYS HA 1 41 LEU QD 3.500 . 3.500 3.097 2.587 3.509 0.009 17 0 "[ . 1 . 2 .]" 3
83 1 17 CYS H 1 42 ILE HA 5.000 . 5.000 5.117 5.068 5.147 0.147 19 0 "[ . 1 . 2 .]" 3
84 1 17 CYS HA 1 42 ILE HA 2.800 . 2.800 2.539 2.434 2.608 . 0 0 "[ . 1 . 2 .]" 3
85 1 17 CYS HA 1 42 ILE MG 5.000 . 5.000 3.986 3.902 4.241 . 0 0 "[ . 1 . 2 .]" 3
86 1 17 CYS HB2 1 42 ILE HA 5.000 . 5.000 3.695 3.571 3.748 . 0 0 "[ . 1 . 2 .]" 3
87 1 17 CYS QB 1 42 ILE HB 5.000 . 5.000 4.648 4.553 4.697 . 0 0 "[ . 1 . 2 .]" 3
88 1 17 CYS HA 1 43 CYS H 5.000 . 5.000 4.133 3.997 4.308 . 0 0 "[ . 1 . 2 .]" 3
89 1 17 CYS HA 1 43 CYS HA 5.000 . 5.000 5.147 5.094 5.204 0.204 18 0 "[ . 1 . 2 .]" 3
90 1 18 THR H 1 18 THR MG 3.500 . 3.500 2.075 2.065 2.086 . 0 0 "[ . 1 . 2 .]" 3
91 1 18 THR HA 1 18 THR MG 3.500 . 3.500 3.226 3.222 3.231 . 0 0 "[ . 1 . 2 .]" 3
92 1 18 THR H 1 19 ALA H 3.500 . 3.500 2.330 2.314 2.393 . 0 0 "[ . 1 . 2 .]" 3
93 1 18 THR HA 1 19 ALA H 5.000 . 5.000 3.578 3.567 3.584 . 0 0 "[ . 1 . 2 .]" 3
94 1 18 THR HB 1 19 ALA H 5.000 . 5.000 3.997 3.924 4.032 . 0 0 "[ . 1 . 2 .]" 3
95 1 18 THR H 1 20 CYS H 5.000 . 5.000 3.781 3.757 3.891 . 0 0 "[ . 1 . 2 .]" 3
96 1 18 THR MG 1 38 LEU QD 5.000 . 5.000 3.899 3.844 4.014 . 0 0 "[ . 1 . 2 .]" 3
97 1 18 THR H 1 40 VAL QG 5.000 . 5.000 4.040 3.905 4.147 . 0 0 "[ . 1 . 2 .]" 3
98 1 18 THR HB 1 40 VAL QG 3.500 . 3.500 3.140 2.987 3.313 . 0 0 "[ . 1 . 2 .]" 3
99 1 18 THR MG 1 40 VAL HB 5.000 . 5.000 4.274 4.162 4.425 . 0 0 "[ . 1 . 2 .]" 3
100 1 18 THR MG 1 40 VAL QG 3.500 . 3.500 2.061 1.885 2.171 . 0 0 "[ . 1 . 2 .]" 3
101 1 18 THR H 1 41 LEU QD 5.000 . 5.000 4.278 3.811 4.770 . 0 0 "[ . 1 . 2 .]" 3
102 1 18 THR MG 1 41 LEU H 5.000 . 5.000 3.657 3.469 4.060 . 0 0 "[ . 1 . 2 .]" 3
103 1 18 THR MG 1 41 LEU QD 5.000 . 5.000 4.588 4.223 5.020 0.020 6 0 "[ . 1 . 2 .]" 3
104 1 18 THR H 1 42 ILE HA 3.500 . 3.500 2.768 2.610 2.880 . 0 0 "[ . 1 . 2 .]" 3
105 1 18 THR H 1 42 ILE HB 5.000 . 5.000 4.483 4.325 4.649 . 0 0 "[ . 1 . 2 .]" 3
106 1 18 THR H 1 42 ILE MG 3.500 . 3.500 2.810 2.697 3.163 . 0 0 "[ . 1 . 2 .]" 3
107 1 18 THR MG 1 42 ILE HA 5.000 . 5.000 3.411 3.259 3.489 . 0 0 "[ . 1 . 2 .]" 3
108 1 18 THR MG 1 42 ILE MG 2.800 . 2.800 2.007 1.915 2.319 . 0 0 "[ . 1 . 2 .]" 3
109 1 18 THR MG 1 42 ILE MD 5.000 . 5.000 4.490 4.366 4.656 . 0 0 "[ . 1 . 2 .]" 3
110 1 18 THR H 1 43 CYS H 5.000 . 5.000 4.803 4.703 5.010 0.010 3 0 "[ . 1 . 2 .]" 3
111 1 18 THR MG 1 68 TRP HD1 3.500 . 3.500 3.276 3.116 3.512 0.012 3 0 "[ . 1 . 2 .]" 3
112 1 18 THR MG 1 68 TRP HE1 3.500 . 3.500 2.069 2.046 2.088 . 0 0 "[ . 1 . 2 .]" 3
113 1 18 THR MG 1 68 TRP HE3 5.000 . 5.000 4.970 4.730 5.030 0.030 2 0 "[ . 1 . 2 .]" 3
114 1 18 THR MG 1 68 TRP HZ2 2.800 . 2.800 2.309 2.020 2.519 . 0 0 "[ . 1 . 2 .]" 3
115 1 18 THR MG 1 68 TRP HH2 5.000 . 5.000 4.106 3.785 4.286 . 0 0 "[ . 1 . 2 .]" 3
116 1 18 THR HA 1 122 LEU QD 5.000 . 5.000 3.530 3.002 3.853 . 0 0 "[ . 1 . 2 .]" 3
117 1 18 THR HB 1 122 LEU QD 2.800 . 2.800 2.363 1.811 2.811 0.011 23 0 "[ . 1 . 2 .]" 3
118 1 18 THR MG 1 122 LEU QD 2.800 . 2.800 2.024 1.913 2.377 . 0 0 "[ . 1 . 2 .]" 3
119 1 19 ALA H 1 19 ALA MB 2.800 . 2.800 2.100 2.076 2.125 . 0 0 "[ . 1 . 2 .]" 3
120 1 19 ALA H 1 20 CYS H 2.800 . 2.800 2.552 2.524 2.585 . 0 0 "[ . 1 . 2 .]" 3
121 1 19 ALA HA 1 20 CYS H 3.500 . 3.500 3.533 3.521 3.544 0.044 22 0 "[ . 1 . 2 .]" 3
122 1 19 ALA MB 1 20 CYS H 3.500 . 3.500 2.983 2.914 3.054 . 0 0 "[ . 1 . 2 .]" 3
123 1 19 ALA H 1 21 GLY H 5.000 . 5.000 4.304 4.194 4.413 . 0 0 "[ . 1 . 2 .]" 3
124 1 19 ALA MB 1 21 GLY H 5.000 . 5.000 4.899 4.810 4.970 . 0 0 "[ . 1 . 2 .]" 3
125 1 19 ALA MB 1 38 LEU QD 5.000 . 5.000 4.357 4.161 4.491 . 0 0 "[ . 1 . 2 .]" 3
126 1 19 ALA MB 1 40 VAL QG 5.000 . 5.000 4.464 4.373 4.594 . 0 0 "[ . 1 . 2 .]" 3
127 1 19 ALA H 1 42 ILE HA 5.000 . 5.000 4.023 3.784 4.144 . 0 0 "[ . 1 . 2 .]" 3
128 1 19 ALA H 1 42 ILE MG 3.500 . 3.500 3.054 2.998 3.150 . 0 0 "[ . 1 . 2 .]" 3
129 1 19 ALA MB 1 42 ILE HA 5.000 . 5.000 4.655 4.425 4.774 . 0 0 "[ . 1 . 2 .]" 3
130 1 19 ALA MB 1 42 ILE HB 5.000 . 5.000 3.940 3.657 4.125 . 0 0 "[ . 1 . 2 .]" 3
131 1 19 ALA MB 1 42 ILE MG 2.800 . 2.800 2.834 2.808 2.861 0.061 14 0 "[ . 1 . 2 .]" 3
132 1 19 ALA MB 1 42 ILE MD 5.000 . 5.000 4.162 4.059 4.390 . 0 0 "[ . 1 . 2 .]" 3
133 1 19 ALA H 1 68 TRP HD1 5.000 . 5.000 4.002 3.911 4.142 . 0 0 "[ . 1 . 2 .]" 3
134 1 19 ALA HA 1 68 TRP HD1 5.000 . 5.000 4.227 4.087 4.412 . 0 0 "[ . 1 . 2 .]" 3
135 1 19 ALA MB 1 68 TRP QB 3.500 . 3.500 2.736 2.540 2.885 . 0 0 "[ . 1 . 2 .]" 3
136 1 19 ALA MB 1 68 TRP HD1 2.300 . 2.300 2.164 1.960 2.303 0.003 1 0 "[ . 1 . 2 .]" 3
137 1 19 ALA MB 1 68 TRP HE1 5.000 . 5.000 3.503 3.145 3.790 . 0 0 "[ . 1 . 2 .]" 3
138 1 19 ALA HA 1 69 CYS H 5.000 . 5.000 5.052 5.035 5.069 0.069 18 0 "[ . 1 . 2 .]" 3
139 1 19 ALA MB 1 69 CYS H 3.500 . 3.500 3.461 3.316 3.548 0.048 7 0 "[ . 1 . 2 .]" 3
140 1 19 ALA MB 1 69 CYS HA 2.800 . 2.800 2.583 2.413 2.771 . 0 0 "[ . 1 . 2 .]" 3
141 1 19 ALA MB 1 69 CYS QB 2.800 . 2.800 2.267 1.924 2.513 . 0 0 "[ . 1 . 2 .]" 3
142 1 19 ALA MB 1 70 ALA H 5.000 . 5.000 4.948 4.862 5.018 0.018 16 0 "[ . 1 . 2 .]" 3
143 1 19 ALA MB 1 122 LEU QD 5.000 . 5.000 5.024 4.972 5.061 0.061 10 0 "[ . 1 . 2 .]" 3
144 1 20 CYS H 1 20 CYS HB3 3.500 . 3.500 3.603 3.597 3.614 0.114 11 0 "[ . 1 . 2 .]" 3
145 1 20 CYS H 1 20 CYS HB2 2.800 . 2.800 2.365 2.346 2.381 . 0 0 "[ . 1 . 2 .]" 3
146 1 20 CYS H 1 21 GLY H 3.500 . 3.500 2.306 2.299 2.311 . 0 0 "[ . 1 . 2 .]" 3
147 1 20 CYS H 1 21 GLY QA 5.000 . 5.000 4.136 4.104 4.170 . 0 0 "[ . 1 . 2 .]" 3
148 1 20 CYS HA 1 21 GLY H 3.500 . 3.500 3.597 3.594 3.602 0.102 11 0 "[ . 1 . 2 .]" 3
149 1 20 CYS H 1 22 GLN H 5.000 . 5.000 4.303 4.272 4.330 . 0 0 "[ . 1 . 2 .]" 3
150 1 20 CYS HA 1 22 GLN H 5.000 . 5.000 5.038 5.018 5.062 0.062 1 0 "[ . 1 . 2 .]" 3
151 1 21 GLY H 1 22 GLN H 3.500 . 3.500 2.344 2.320 2.396 . 0 0 "[ . 1 . 2 .]" 3
152 1 21 GLY QA 1 22 GLN H 3.500 . 3.500 2.820 2.809 2.836 . 0 0 "[ . 1 . 2 .]" 3
153 1 22 GLN H 1 22 GLN HB2 2.800 . 2.800 2.568 2.480 2.684 . 0 0 "[ . 1 . 2 .]" 3
154 1 22 GLN HA 1 22 GLN HB3 2.800 . 2.800 2.643 2.501 2.741 . 0 0 "[ . 1 . 2 .]" 3
155 1 22 GLN H 1 22 GLN QG 5.000 . 5.000 3.395 2.993 3.679 . 0 0 "[ . 1 . 2 .]" 3
156 1 22 GLN HA 1 23 GLN H 2.300 . 2.300 2.272 2.249 2.333 0.033 6 0 "[ . 1 . 2 .]" 3
157 1 22 GLN QB 1 23 GLN H 5.000 . 5.000 3.315 3.075 3.541 . 0 0 "[ . 1 . 2 .]" 3
158 1 22 GLN QB 1 24 VAL QG 5.000 . 5.000 4.682 4.337 4.858 . 0 0 "[ . 1 . 2 .]" 3
159 1 23 GLN H 1 23 GLN QB 2.800 . 2.800 2.254 2.055 2.563 . 0 0 "[ . 1 . 2 .]" 3
160 1 23 GLN H 1 23 GLN QG 3.500 . 3.500 2.731 2.126 3.581 0.081 25 0 "[ . 1 . 2 .]" 3
161 1 23 GLN HA 1 24 VAL H 2.300 . 2.300 2.309 2.269 2.362 0.062 1 0 "[ . 1 . 2 .]" 3
162 1 24 VAL H 1 24 VAL HB 2.800 . 2.800 2.631 2.522 2.749 . 0 0 "[ . 1 . 2 .]" 3
163 1 24 VAL H 1 24 VAL QG 3.500 . 3.500 2.210 2.107 2.314 . 0 0 "[ . 1 . 2 .]" 3
164 1 24 VAL HA 1 25 ASN H 2.300 . 2.300 2.383 2.340 2.457 0.157 10 0 "[ . 1 . 2 .]" 3
165 1 24 VAL HB 1 25 ASN H 5.000 . 5.000 4.453 4.399 4.493 . 0 0 "[ . 1 . 2 .]" 3
166 1 24 VAL QG 1 25 ASN H 5.000 . 5.000 3.435 3.301 3.579 . 0 0 "[ . 1 . 2 .]" 3
167 1 24 VAL HA 1 32 ILE MG 5.000 . 5.000 4.586 4.360 4.893 . 0 0 "[ . 1 . 2 .]" 3
168 1 24 VAL HB 1 32 ILE MG 2.800 . 2.800 2.715 2.538 2.943 0.143 10 0 "[ . 1 . 2 .]" 3
169 1 24 VAL QG 1 32 ILE HA 3.500 . 3.500 3.355 2.976 3.535 0.035 24 0 "[ . 1 . 2 .]" 3
170 1 24 VAL QG 1 32 ILE HB 5.000 . 5.000 3.868 3.644 4.103 . 0 0 "[ . 1 . 2 .]" 3
171 1 24 VAL QG 1 32 ILE MG 2.300 . 2.300 1.805 1.642 2.013 . 0 0 "[ . 1 . 2 .]" 3
172 1 24 VAL QG 1 32 ILE MD 5.000 . 5.000 3.995 3.698 4.229 . 0 0 "[ . 1 . 2 .]" 3
173 1 24 VAL QG 1 41 LEU QD 5.000 . 5.000 3.126 2.766 3.462 . 0 0 "[ . 1 . 2 .]" 3
174 1 24 VAL QG 1 42 ILE HA 5.000 . 5.000 4.608 4.393 4.846 . 0 0 "[ . 1 . 2 .]" 3
175 1 24 VAL QG 1 43 CYS HA 2.800 . 2.800 2.803 2.569 2.871 0.071 5 0 "[ . 1 . 2 .]" 3
176 1 24 VAL QG 1 43 CYS QB 2.800 . 2.800 2.283 2.193 2.391 . 0 0 "[ . 1 . 2 .]" 3
177 1 24 VAL QG 1 45 ASN QB 5.000 . 5.000 5.074 5.043 5.100 0.100 19 0 "[ . 1 . 2 .]" 3
178 1 24 VAL QG 1 129 VAL QG 3.500 . 3.500 3.606 3.553 3.665 0.165 1 0 "[ . 1 . 2 .]" 3
179 1 25 ASN HA 1 25 ASN HB2 2.800 . 2.800 2.713 2.603 2.808 0.008 23 0 "[ . 1 . 2 .]" 3
180 1 25 ASN H 1 25 ASN QB 2.800 . 2.800 2.815 2.758 2.849 0.049 25 0 "[ . 1 . 2 .]" 3
181 1 27 PHE HA 1 28 GLN H 2.800 . 2.800 2.713 2.297 2.875 0.075 19 0 "[ . 1 . 2 .]" 3
182 1 27 PHE QD 1 32 ILE MD 5.000 . 5.000 5.057 4.898 5.095 0.095 6 0 "[ . 1 . 2 .]" 3
183 1 27 PHE QE 1 32 ILE MD 5.000 . 5.000 4.877 4.665 5.109 0.109 10 0 "[ . 1 . 2 .]" 3
184 1 27 PHE QD 1 133 LEU QD 2.300 . 2.300 2.379 2.333 2.441 0.141 13 0 "[ . 1 . 2 .]" 3
185 1 27 PHE QE 1 133 LEU QD 2.300 . 2.300 1.969 1.836 2.304 0.004 6 0 "[ . 1 . 2 .]" 3
186 1 27 PHE QD 1 136 LEU QD 2.300 . 2.300 2.185 1.960 2.405 0.105 10 0 "[ . 1 . 2 .]" 3
187 1 27 PHE QE 1 136 LEU QD 2.800 . 2.800 2.500 1.863 2.614 . 0 0 "[ . 1 . 2 .]" 3
188 1 27 PHE HZ 1 136 LEU QD 2.800 . 2.800 2.825 2.010 2.905 0.105 11 0 "[ . 1 . 2 .]" 3
189 1 28 GLN HA 1 28 GLN HB2 2.800 . 2.800 2.474 2.441 2.644 . 0 0 "[ . 1 . 2 .]" 3
190 1 28 GLN H 1 28 GLN QB 2.800 . 2.800 2.265 2.223 2.589 . 0 0 "[ . 1 . 2 .]" 3
191 1 28 GLN H 1 28 GLN QG 5.000 . 5.000 3.989 3.942 4.229 . 0 0 "[ . 1 . 2 .]" 3
192 1 28 GLN HA 1 29 LYS H 2.800 . 2.800 2.304 2.229 2.343 . 0 0 "[ . 1 . 2 .]" 3
193 1 28 GLN QB 1 29 LYS H 5.000 . 5.000 3.737 3.597 3.970 . 0 0 "[ . 1 . 2 .]" 3
194 1 28 GLN QG 1 29 LYS H 5.000 . 5.000 2.423 2.147 3.408 . 0 0 "[ . 1 . 2 .]" 3
195 1 28 GLN QB 1 31 SER H 5.000 . 5.000 4.392 3.939 4.776 . 0 0 "[ . 1 . 2 .]" 3
196 1 28 GLN QG 1 31 SER H 3.500 . 3.500 3.553 3.521 3.592 0.092 24 0 "[ . 1 . 2 .]" 3
197 1 29 LYS H 1 29 LYS QB 2.800 . 2.800 2.327 2.238 2.353 . 0 0 "[ . 1 . 2 .]" 3
198 1 29 LYS H 1 29 LYS QG 5.000 . 5.000 4.032 3.925 4.085 . 0 0 "[ . 1 . 2 .]" 3
199 1 29 LYS HA 1 30 ASP H 2.800 . 2.800 2.740 2.261 2.939 0.139 14 0 "[ . 1 . 2 .]" 3
200 1 29 LYS QB 1 30 ASP H 5.000 . 5.000 3.796 3.289 3.912 . 0 0 "[ . 1 . 2 .]" 3
201 1 29 LYS QG 1 31 SER H 5.000 . 5.000 4.982 4.554 5.128 0.128 13 0 "[ . 1 . 2 .]" 3
202 1 29 LYS HA 1 133 LEU QD 2.800 . 2.800 1.924 1.722 2.154 . 0 0 "[ . 1 . 2 .]" 3
203 1 29 LYS QB 1 133 LEU QD 2.800 . 2.800 2.757 2.139 2.883 0.083 25 0 "[ . 1 . 2 .]" 3
204 1 29 LYS QG 1 133 LEU QD 2.800 . 2.800 2.165 1.854 2.817 0.017 10 0 "[ . 1 . 2 .]" 3
205 1 29 LYS QE 1 133 LEU QD 3.500 . 3.500 3.301 2.871 3.524 0.024 3 0 "[ . 1 . 2 .]" 3
206 1 29 LYS HA 1 136 LEU QD 3.500 . 3.500 3.553 3.524 3.613 0.113 10 0 "[ . 1 . 2 .]" 3
207 1 29 LYS QB 1 136 LEU QD 2.800 . 2.800 2.212 1.951 2.800 . 0 0 "[ . 1 . 2 .]" 3
208 1 29 LYS QE 1 137 LEU QD 5.000 . 5.000 2.170 1.693 3.297 . 0 0 "[ . 1 . 2 .]" 3
209 1 30 ASP H 1 30 ASP QB 2.800 . 2.800 2.774 2.659 3.055 0.255 14 0 "[ . 1 . 2 .]" 3
210 1 30 ASP H 1 31 SER H 5.000 . 5.000 2.468 2.303 2.887 . 0 0 "[ . 1 . 2 .]" 3
211 1 30 ASP HA 1 31 SER H 2.800 . 2.800 2.923 2.894 2.981 0.181 24 0 "[ . 1 . 2 .]" 3
212 1 30 ASP QB 1 31 SER H 5.000 . 5.000 3.863 3.826 4.077 . 0 0 "[ . 1 . 2 .]" 3
213 1 30 ASP HA 1 32 ILE H 5.000 . 5.000 4.020 3.605 4.275 . 0 0 "[ . 1 . 2 .]" 3
214 1 31 SER H 1 31 SER QB 3.500 . 3.500 2.825 2.356 3.290 . 0 0 "[ . 1 . 2 .]" 3
215 1 31 SER H 1 32 ILE H 3.500 . 3.500 2.364 2.303 2.714 . 0 0 "[ . 1 . 2 .]" 3
216 1 31 SER H 1 32 ILE QG 5.000 . 5.000 2.570 2.377 2.632 . 0 0 "[ . 1 . 2 .]" 3
217 1 31 SER HA 1 32 ILE H 2.800 . 2.800 2.907 2.863 2.950 0.150 24 0 "[ . 1 . 2 .]" 3
218 1 31 SER QB 1 32 ILE H 5.000 . 5.000 3.907 3.834 4.075 . 0 0 "[ . 1 . 2 .]" 3
219 1 31 SER HA 1 33 TYR QD 5.000 . 5.000 4.479 4.274 5.002 0.002 6 0 "[ . 1 . 2 .]" 3
220 1 31 SER HA 1 33 TYR QE 5.000 . 5.000 4.681 2.949 5.108 0.108 24 0 "[ . 1 . 2 .]" 3
221 1 31 SER HA 1 44 LYS QB 5.000 . 5.000 2.880 1.987 3.646 . 0 0 "[ . 1 . 2 .]" 3
222 1 31 SER HA 1 44 LYS QG 5.000 . 5.000 3.126 1.877 4.733 . 0 0 "[ . 1 . 2 .]" 3
223 1 31 SER HA 1 44 LYS QD 5.000 . 5.000 2.799 1.823 4.123 . 0 0 "[ . 1 . 2 .]" 3
224 1 31 SER QB 1 44 LYS QD 5.000 . 5.000 4.172 3.109 5.050 0.050 11 0 "[ . 1 . 2 .]" 3
225 1 31 SER H 1 133 LEU QD 5.000 . 5.000 3.854 2.880 4.199 . 0 0 "[ . 1 . 2 .]" 3
226 1 32 ILE HA 1 32 ILE MG 3.500 . 3.500 2.165 2.127 2.254 . 0 0 "[ . 1 . 2 .]" 3
227 1 32 ILE HB 1 32 ILE MD 3.500 . 3.500 2.093 1.973 2.251 . 0 0 "[ . 1 . 2 .]" 3
228 1 32 ILE H 1 32 ILE QG 5.000 . 5.000 2.295 2.186 2.349 . 0 0 "[ . 1 . 2 .]" 3
229 1 32 ILE MD 1 32 ILE MG 3.500 . 3.500 2.374 2.098 2.558 . 0 0 "[ . 1 . 2 .]" 3
230 1 32 ILE H 1 32 ILE MD 5.000 . 5.000 4.014 3.907 4.058 . 0 0 "[ . 1 . 2 .]" 3
231 1 32 ILE HA 1 33 TYR H 2.300 . 2.300 2.286 2.249 2.382 0.082 6 0 "[ . 1 . 2 .]" 3
232 1 32 ILE HA 1 33 TYR QD 3.500 . 3.500 3.278 2.860 3.479 . 0 0 "[ . 1 . 2 .]" 3
233 1 32 ILE HA 1 33 TYR QE 5.000 . 5.000 4.331 4.114 4.664 . 0 0 "[ . 1 . 2 .]" 3
234 1 32 ILE HB 1 33 TYR H 5.000 . 5.000 3.313 2.908 3.558 . 0 0 "[ . 1 . 2 .]" 3
235 1 32 ILE QG 1 33 TYR H 5.000 . 5.000 4.299 4.001 4.420 . 0 0 "[ . 1 . 2 .]" 3
236 1 32 ILE MG 1 33 TYR H 5.000 . 5.000 3.906 3.756 4.007 . 0 0 "[ . 1 . 2 .]" 3
237 1 32 ILE MG 1 41 LEU QD 2.800 . 2.800 2.794 2.612 2.845 0.045 20 0 "[ . 1 . 2 .]" 3
238 1 32 ILE MD 1 41 LEU QD 2.800 . 2.800 2.703 2.248 2.840 0.040 19 0 "[ . 1 . 2 .]" 3
239 1 32 ILE HA 1 43 CYS HA 2.800 . 2.800 2.652 2.369 2.804 0.004 6 0 "[ . 1 . 2 .]" 3
240 1 32 ILE MG 1 43 CYS HA 3.500 . 3.500 3.080 2.877 3.519 0.019 6 0 "[ . 1 . 2 .]" 3
241 1 32 ILE MG 1 129 VAL QG 2.800 . 2.800 2.752 2.332 2.858 0.058 22 0 "[ . 1 . 2 .]" 3
242 1 32 ILE MD 1 129 VAL QG 3.500 . 3.500 1.964 1.763 2.419 . 0 0 "[ . 1 . 2 .]" 3
243 1 32 ILE HA 1 130 PHE HZ 5.000 . 5.000 4.774 4.664 5.014 0.014 10 0 "[ . 1 . 2 .]" 3
244 1 32 ILE HB 1 130 PHE HZ 3.500 . 3.500 3.546 3.505 3.570 0.070 15 0 "[ . 1 . 2 .]" 3
245 1 32 ILE MD 1 130 PHE QD 2.800 . 2.800 2.717 2.401 2.816 0.016 20 0 "[ . 1 . 2 .]" 3
246 1 32 ILE MD 1 130 PHE QE 2.800 . 2.800 2.185 1.993 2.528 . 0 0 "[ . 1 . 2 .]" 3
247 1 32 ILE MD 1 130 PHE HZ 3.500 . 3.500 3.549 3.456 3.580 0.080 22 0 "[ . 1 . 2 .]" 3
248 1 32 ILE H 1 133 LEU QD 5.000 . 5.000 4.484 4.058 4.720 . 0 0 "[ . 1 . 2 .]" 3
249 1 32 ILE MD 1 133 LEU QD 2.800 . 2.800 1.718 1.641 1.849 . 0 0 "[ . 1 . 2 .]" 3
250 1 33 TYR H 1 33 TYR QD 5.000 . 5.000 2.856 2.661 2.978 . 0 0 "[ . 1 . 2 .]" 3
251 1 33 TYR H 1 33 TYR QE 5.000 . 5.000 4.192 3.838 5.019 0.019 8 0 "[ . 1 . 2 .]" 3
252 1 33 TYR HA 1 34 ARG H 2.300 . 2.300 2.311 2.244 2.345 0.045 5 0 "[ . 1 . 2 .]" 3
253 1 33 TYR QB 1 34 ARG H 5.000 . 5.000 2.843 2.724 3.216 . 0 0 "[ . 1 . 2 .]" 3
254 1 33 TYR H 1 41 LEU QD 5.000 . 5.000 3.884 3.691 4.062 . 0 0 "[ . 1 . 2 .]" 3
255 1 33 TYR QB 1 42 ILE MD 5.000 . 5.000 4.600 2.652 5.106 0.106 23 0 "[ . 1 . 2 .]" 3
256 1 33 TYR H 1 42 ILE H 3.500 . 3.500 2.956 2.690 3.180 . 0 0 "[ . 1 . 2 .]" 3
257 1 33 TYR QD 1 43 CYS HA 5.000 . 5.000 4.177 3.454 4.452 . 0 0 "[ . 1 . 2 .]" 3
258 1 33 TYR QE 1 43 CYS HA 5.000 . 5.000 3.997 3.671 5.103 0.103 3 0 "[ . 1 . 2 .]" 3
259 1 33 TYR QD 1 44 LYS H 5.000 . 5.000 4.082 3.127 4.494 . 0 0 "[ . 1 . 2 .]" 3
260 1 33 TYR QD 1 44 LYS HA 3.500 . 3.500 3.374 2.429 3.672 0.172 24 0 "[ . 1 . 2 .]" 3
261 1 33 TYR QD 1 44 LYS QB 5.000 . 5.000 4.469 3.464 4.969 . 0 0 "[ . 1 . 2 .]" 3
262 1 33 TYR QD 1 44 LYS QG 3.500 . 3.500 3.324 2.855 3.713 0.213 3 0 "[ . 1 . 2 .]" 3
263 1 33 TYR QD 1 44 LYS QD 5.000 . 5.000 3.660 2.930 4.393 . 0 0 "[ . 1 . 2 .]" 3
264 1 33 TYR QE 1 44 LYS H 3.500 . 3.500 3.306 3.190 3.539 0.039 6 0 "[ . 1 . 2 .]" 3
265 1 33 TYR QE 1 44 LYS HA 2.300 . 2.300 1.850 1.699 2.244 . 0 0 "[ . 1 . 2 .]" 3
266 1 33 TYR QE 1 44 LYS QB 5.000 . 5.000 3.494 2.265 3.887 . 0 0 "[ . 1 . 2 .]" 3
267 1 33 TYR QE 1 44 LYS QG 2.800 . 2.800 2.705 1.949 2.920 0.120 7 0 "[ . 1 . 2 .]" 3
268 1 33 TYR QE 1 44 LYS QD 3.500 . 3.500 3.265 2.136 3.563 0.063 24 0 "[ . 1 . 2 .]" 3
269 1 33 TYR QD 1 47 PHE QD 5.000 . 5.000 4.140 3.178 4.397 . 0 0 "[ . 1 . 2 .]" 3
270 1 33 TYR QD 1 47 PHE QE 3.500 . 3.500 3.471 2.700 3.683 0.183 22 0 "[ . 1 . 2 .]" 3
271 1 33 TYR QD 1 47 PHE HZ 5.000 . 5.000 4.043 3.169 4.336 . 0 0 "[ . 1 . 2 .]" 3
272 1 33 TYR QE 1 47 PHE H 5.000 . 5.000 3.763 3.372 5.095 0.095 1 0 "[ . 1 . 2 .]" 3
273 1 33 TYR QE 1 47 PHE QD 3.500 . 3.500 2.516 2.301 3.164 . 0 0 "[ . 1 . 2 .]" 3
274 1 33 TYR QE 1 47 PHE QE 3.500 . 3.500 2.436 2.161 3.428 . 0 0 "[ . 1 . 2 .]" 3
275 1 33 TYR QE 1 47 PHE HZ 5.000 . 5.000 4.190 3.905 5.070 0.070 1 0 "[ . 1 . 2 .]" 3
276 1 33 TYR QD 1 130 PHE HZ 5.000 . 5.000 4.965 4.819 5.038 0.038 1 0 "[ . 1 . 2 .]" 3
277 1 33 TYR HA 1 130 PHE HZ 2.800 . 2.800 2.066 1.913 2.684 . 0 0 "[ . 1 . 2 .]" 3
278 1 33 TYR QB 1 130 PHE HZ 5.000 . 5.000 3.965 3.818 4.546 . 0 0 "[ . 1 . 2 .]" 3
279 1 34 ARG H 1 34 ARG QG 5.000 . 5.000 2.918 2.116 4.003 . 0 0 "[ . 1 . 2 .]" 3
280 1 34 ARG H 1 35 HIS H 5.000 . 5.000 4.532 4.352 4.668 . 0 0 "[ . 1 . 2 .]" 3
281 1 34 ARG HA 1 35 HIS H 2.300 . 2.300 2.243 2.226 2.279 . 0 0 "[ . 1 . 2 .]" 3
282 1 34 ARG QB 1 39 GLN HA 5.000 . 5.000 4.321 3.771 5.062 0.062 10 0 "[ . 1 . 2 .]" 3
283 1 34 ARG HA 1 41 LEU HA 2.800 . 2.800 2.704 2.507 2.804 0.004 5 0 "[ . 1 . 2 .]" 3
284 1 34 ARG HA 1 42 ILE H 5.000 . 5.000 3.900 3.411 4.031 . 0 0 "[ . 1 . 2 .]" 3
285 1 34 ARG H 1 130 PHE HZ 2.800 . 2.800 2.894 2.848 2.922 0.122 4 0 "[ . 1 . 2 .]" 3
286 1 34 ARG H 1 130 PHE QE 3.500 . 3.500 3.377 3.232 3.505 0.005 24 0 "[ . 1 . 2 .]" 3
287 1 35 HIS HA 1 35 HIS HB2 2.800 . 2.800 2.630 2.613 2.653 . 0 0 "[ . 1 . 2 .]" 3
288 1 35 HIS H 1 35 HIS HB3 2.800 . 2.800 2.768 2.631 2.875 0.075 10 0 "[ . 1 . 2 .]" 3
289 1 35 HIS H 1 35 HIS HB2 2.800 . 2.800 2.215 2.148 2.363 . 0 0 "[ . 1 . 2 .]" 3
290 1 35 HIS HE1 1 37 SER H 3.500 . 3.500 3.349 3.280 3.442 . 0 0 "[ . 1 . 2 .]" 3
291 1 35 HIS HE1 1 37 SER HA 5.000 . 5.000 4.963 4.920 5.017 0.017 8 0 "[ . 1 . 2 .]" 3
292 1 35 HIS HE1 1 37 SER QB 2.800 . 2.800 2.001 1.968 2.042 . 0 0 "[ . 1 . 2 .]" 3
293 1 35 HIS HD2 1 38 LEU QD 3.500 . 3.500 3.232 2.995 3.490 . 0 0 "[ . 1 . 2 .]" 3
294 1 35 HIS HE1 1 38 LEU H 3.500 . 3.500 3.550 3.526 3.618 0.118 3 0 "[ . 1 . 2 .]" 3
295 1 35 HIS HE1 1 38 LEU HG 3.500 . 3.500 3.038 2.982 3.171 . 0 0 "[ . 1 . 2 .]" 3
296 1 35 HIS HE1 1 38 LEU QD 2.800 . 2.800 2.720 2.652 2.760 . 0 0 "[ . 1 . 2 .]" 3
297 1 35 HIS H 1 39 GLN H 5.000 . 5.000 5.051 5.025 5.101 0.101 3 0 "[ . 1 . 2 .]" 3
298 1 35 HIS H 1 39 GLN HA 5.000 . 5.000 4.496 4.041 4.787 . 0 0 "[ . 1 . 2 .]" 3
299 1 35 HIS H 1 40 VAL H 3.500 . 3.500 2.559 2.327 2.798 . 0 0 "[ . 1 . 2 .]" 3
300 1 35 HIS H 1 40 VAL QG 5.000 . 5.000 2.867 2.738 2.917 . 0 0 "[ . 1 . 2 .]" 3
301 1 35 HIS QB 1 40 VAL H 3.500 . 3.500 2.245 2.122 2.520 . 0 0 "[ . 1 . 2 .]" 3
302 1 35 HIS QB 1 40 VAL QG 5.000 . 5.000 1.794 1.779 1.811 . 0 0 "[ . 1 . 2 .]" 3
303 1 35 HIS H 1 41 LEU HA 3.500 . 3.500 3.109 2.999 3.294 . 0 0 "[ . 1 . 2 .]" 3
304 1 35 HIS QB 1 42 ILE MD 3.500 . 3.500 2.601 2.493 2.940 . 0 0 "[ . 1 . 2 .]" 3
305 1 35 HIS HD2 1 42 ILE MG 2.300 . 2.300 2.042 1.886 2.305 0.005 8 0 "[ . 1 . 2 .]" 3
306 1 35 HIS HD2 1 42 ILE MD 2.300 . 2.300 2.010 1.908 2.344 0.044 3 0 "[ . 1 . 2 .]" 3
307 1 35 HIS HE1 1 113 ILE MD 5.000 . 5.000 5.074 4.981 5.106 0.106 23 0 "[ . 1 . 2 .]" 3
308 1 36 PRO HA 1 37 SER H 5.000 . 5.000 3.639 3.637 3.642 . 0 0 "[ . 1 . 2 .]" 3
309 1 36 PRO QB 1 37 SER H 2.800 . 2.800 2.720 2.672 2.801 0.001 8 0 "[ . 1 . 2 .]" 3
310 1 36 PRO QD 1 42 ILE MD 5.000 . 5.000 3.421 3.244 3.876 . 0 0 "[ . 1 . 2 .]" 3
311 1 36 PRO QD 1 47 PHE HZ 2.800 . 2.800 2.884 2.847 2.902 0.102 22 0 "[ . 1 . 2 .]" 3
312 1 36 PRO QD 1 47 PHE QE 2.800 . 2.800 2.579 2.429 2.842 0.042 1 0 "[ . 1 . 2 .]" 3
313 1 36 PRO QD 1 50 TYR QD 5.000 . 5.000 5.025 4.994 5.047 0.047 24 0 "[ . 1 . 2 .]" 3
314 1 36 PRO QD 1 50 TYR QE 5.000 . 5.000 5.030 4.976 5.057 0.057 18 0 "[ . 1 . 2 .]" 3
315 1 37 SER H 1 37 SER QB 3.500 . 3.500 2.248 2.185 2.304 . 0 0 "[ . 1 . 2 .]" 3
316 1 37 SER H 1 38 LEU H 3.500 . 3.500 3.016 2.972 3.045 . 0 0 "[ . 1 . 2 .]" 3
317 1 37 SER HA 1 38 LEU H 5.000 . 5.000 3.604 3.596 3.608 . 0 0 "[ . 1 . 2 .]" 3
318 1 37 SER QB 1 38 LEU QD 5.000 . 5.000 1.816 1.782 1.839 . 0 0 "[ . 1 . 2 .]" 3
319 1 37 SER H 1 39 GLN H 5.000 . 5.000 4.131 4.059 4.268 . 0 0 "[ . 1 . 2 .]" 3
320 1 37 SER HA 1 113 ILE MD 5.000 . 5.000 4.385 4.325 4.556 . 0 0 "[ . 1 . 2 .]" 3
321 1 37 SER QB 1 113 ILE MG 3.500 . 3.500 3.293 3.128 3.440 . 0 0 "[ . 1 . 2 .]" 3
322 1 37 SER QB 1 113 ILE MD 2.800 . 2.800 2.916 2.882 2.943 0.143 3 0 "[ . 1 . 2 .]" 3
323 1 38 LEU HA 1 39 GLN H 5.000 . 5.000 3.419 3.242 3.469 . 0 0 "[ . 1 . 2 .]" 3
324 1 38 LEU QD 1 40 VAL QG 2.800 . 2.800 2.809 2.743 2.839 0.039 5 0 "[ . 1 . 2 .]" 3
325 1 38 LEU QD 1 42 ILE MD 5.000 . 5.000 4.398 4.192 4.756 . 0 0 "[ . 1 . 2 .]" 3
326 1 38 LEU HG 1 68 TRP HA 5.000 . 5.000 4.438 4.299 4.561 . 0 0 "[ . 1 . 2 .]" 3
327 1 38 LEU QD 1 68 TRP HA 3.500 . 3.500 2.452 2.264 2.606 . 0 0 "[ . 1 . 2 .]" 3
328 1 38 LEU QD 1 68 TRP HZ3 3.500 . 3.500 3.516 3.422 3.547 0.047 24 0 "[ . 1 . 2 .]" 3
329 1 38 LEU QD 1 85 PHE QD 5.000 . 5.000 4.388 4.237 4.480 . 0 0 "[ . 1 . 2 .]" 3
330 1 38 LEU QD 1 85 PHE QE 2.800 . 2.800 2.725 2.586 2.809 0.009 23 0 "[ . 1 . 2 .]" 3
331 1 38 LEU QD 1 85 PHE HZ 2.300 . 2.300 2.326 2.270 2.378 0.078 11 0 "[ . 1 . 2 .]" 3
332 1 38 LEU QD 1 112 TYR QB 5.000 . 5.000 2.778 2.712 2.846 . 0 0 "[ . 1 . 2 .]" 3
333 1 38 LEU H 1 113 ILE MD 5.000 . 5.000 4.189 4.141 4.282 . 0 0 "[ . 1 . 2 .]" 3
334 1 38 LEU HA 1 113 ILE MD 3.500 . 3.500 2.819 2.689 3.042 . 0 0 "[ . 1 . 2 .]" 3
335 1 38 LEU QB 1 113 ILE MD 2.800 . 2.800 2.858 2.821 2.890 0.090 6 0 "[ . 1 . 2 .]" 3
336 1 38 LEU QD 1 113 ILE HA 3.500 . 3.500 3.530 3.484 3.558 0.058 22 0 "[ . 1 . 2 .]" 3
337 1 38 LEU QD 1 113 ILE QG 3.500 . 3.500 3.336 3.314 3.353 . 0 0 "[ . 1 . 2 .]" 3
338 1 38 LEU QD 1 113 ILE MG 3.500 . 3.500 3.135 3.043 3.256 . 0 0 "[ . 1 . 2 .]" 3
339 1 38 LEU QD 1 113 ILE MD 2.300 . 2.300 1.671 1.658 1.685 . 0 0 "[ . 1 . 2 .]" 3
340 1 39 GLN H 1 40 VAL H 5.000 . 5.000 3.240 3.158 3.388 . 0 0 "[ . 1 . 2 .]" 3
341 1 39 GLN HA 1 40 VAL H 2.300 . 2.300 2.434 2.395 2.463 0.163 19 0 "[ . 1 . 2 .]" 3
342 1 39 GLN HA 1 123 VAL QG 5.000 . 5.000 4.509 4.250 4.670 . 0 0 "[ . 1 . 2 .]" 3
343 1 39 GLN QB 1 123 VAL QG 3.500 . 3.500 3.262 2.755 3.505 0.005 24 0 "[ . 1 . 2 .]" 3
344 1 39 GLN QG 1 123 VAL QG 2.800 . 2.800 2.750 2.599 2.820 0.020 23 0 "[ . 1 . 2 .]" 3
345 1 40 VAL HA 1 41 LEU H 2.800 . 2.800 2.808 2.646 2.847 0.047 15 0 "[ . 1 . 2 .]" 3
346 1 40 VAL HB 1 41 LEU H 5.000 . 5.000 3.907 3.868 4.019 . 0 0 "[ . 1 . 2 .]" 3
347 1 40 VAL QG 1 41 LEU H 5.000 . 5.000 1.961 1.940 2.002 . 0 0 "[ . 1 . 2 .]" 3
348 1 40 VAL QG 1 42 ILE MG 5.000 . 5.000 2.240 2.171 2.312 . 0 0 "[ . 1 . 2 .]" 3
349 1 40 VAL QG 1 68 TRP HD1 5.000 . 5.000 4.007 3.921 4.197 . 0 0 "[ . 1 . 2 .]" 3
350 1 40 VAL QG 1 68 TRP HE1 3.500 . 3.500 2.056 1.979 2.258 . 0 0 "[ . 1 . 2 .]" 3
351 1 40 VAL QG 1 68 TRP HZ2 2.800 . 2.800 1.743 1.722 1.784 . 0 0 "[ . 1 . 2 .]" 3
352 1 40 VAL QG 1 119 LEU QD 2.800 . 2.800 2.413 2.198 2.662 . 0 0 "[ . 1 . 2 .]" 3
353 1 40 VAL HA 1 122 LEU QB 5.000 . 5.000 4.336 4.183 4.559 . 0 0 "[ . 1 . 2 .]" 3
354 1 40 VAL QG 1 122 LEU H 5.000 . 5.000 4.563 4.488 4.681 . 0 0 "[ . 1 . 2 .]" 3
355 1 40 VAL QG 1 122 LEU HA 5.000 . 5.000 3.715 3.474 3.920 . 0 0 "[ . 1 . 2 .]" 3
356 1 40 VAL QG 1 122 LEU QB 2.800 . 2.800 1.973 1.841 2.229 . 0 0 "[ . 1 . 2 .]" 3
357 1 40 VAL QG 1 122 LEU QD 2.800 . 2.800 1.893 1.648 2.146 . 0 0 "[ . 1 . 2 .]" 3
358 1 40 VAL HA 1 123 VAL H 5.000 . 5.000 4.971 4.864 5.029 0.029 25 0 "[ . 1 . 2 .]" 3
359 1 40 VAL HA 1 123 VAL HA 3.500 . 3.500 2.914 2.688 3.073 . 0 0 "[ . 1 . 2 .]" 3
360 1 40 VAL HA 1 123 VAL QG 2.800 . 2.800 2.830 2.804 2.859 0.059 1 0 "[ . 1 . 2 .]" 3
361 1 40 VAL QG 1 123 VAL H 3.500 . 3.500 3.479 3.429 3.531 0.031 2 0 "[ . 1 . 2 .]" 3
362 1 40 VAL QG 1 123 VAL HA 2.800 . 2.800 2.830 2.774 2.873 0.073 6 0 "[ . 1 . 2 .]" 3
363 1 40 VAL QG 1 123 VAL QG 2.800 . 2.800 2.671 2.556 2.750 . 0 0 "[ . 1 . 2 .]" 3
364 1 40 VAL HA 1 126 CYS QB 3.500 . 3.500 3.004 2.742 3.206 . 0 0 "[ . 1 . 2 .]" 3
365 1 40 VAL QG 1 126 CYS QB 5.000 . 5.000 3.251 3.124 3.359 . 0 0 "[ . 1 . 2 .]" 3
366 1 41 LEU HA 1 41 LEU HB2 2.800 . 2.800 2.512 2.486 2.570 . 0 0 "[ . 1 . 2 .]" 3
367 1 41 LEU H 1 41 LEU HB3 2.800 . 2.800 2.548 2.475 2.641 . 0 0 "[ . 1 . 2 .]" 3
368 1 41 LEU H 1 41 LEU HB2 2.800 . 2.800 2.794 2.583 2.832 0.032 16 0 "[ . 1 . 2 .]" 3
369 1 41 LEU HA 1 42 ILE H 2.300 . 2.300 2.256 2.231 2.267 . 0 0 "[ . 1 . 2 .]" 3
370 1 41 LEU QB 1 42 ILE H 5.000 . 5.000 3.840 3.737 3.888 . 0 0 "[ . 1 . 2 .]" 3
371 1 41 LEU QB 1 126 CYS HA 2.800 . 2.800 2.033 1.929 2.197 . 0 0 "[ . 1 . 2 .]" 3
372 1 41 LEU QB 1 126 CYS QB 3.500 . 3.500 2.103 2.060 2.131 . 0 0 "[ . 1 . 2 .]" 3
373 1 41 LEU QD 1 126 CYS HA 2.800 . 2.800 1.936 1.843 2.129 . 0 0 "[ . 1 . 2 .]" 3
374 1 41 LEU QD 1 126 CYS QB 5.000 . 5.000 3.212 3.140 3.332 . 0 0 "[ . 1 . 2 .]" 3
375 1 41 LEU QD 1 129 VAL H 3.500 . 3.500 3.465 3.357 3.529 0.029 13 0 "[ . 1 . 2 .]" 3
376 1 41 LEU QD 1 129 VAL HB 2.800 . 2.800 1.932 1.850 2.134 . 0 0 "[ . 1 . 2 .]" 3
377 1 41 LEU QD 1 130 PHE H 3.500 . 3.500 3.381 3.139 3.499 . 0 0 "[ . 1 . 2 .]" 3
378 1 41 LEU QD 1 130 PHE QD 3.500 . 3.500 3.032 2.626 3.298 . 0 0 "[ . 1 . 2 .]" 3
379 1 41 LEU QD 1 130 PHE QE 2.800 . 2.800 2.383 1.939 2.820 0.020 1 0 "[ . 1 . 2 .]" 3
380 1 42 ILE MD 1 42 ILE MG 3.500 . 3.500 2.014 1.764 2.062 . 0 0 "[ . 1 . 2 .]" 3
381 1 42 ILE HA 1 43 CYS H 2.800 . 2.800 2.723 2.659 2.862 0.062 1 0 "[ . 1 . 2 .]" 3
382 1 42 ILE HA 1 43 CYS HA 5.000 . 5.000 4.444 4.417 4.491 . 0 0 "[ . 1 . 2 .]" 3
383 1 42 ILE HB 1 43 CYS H 3.500 . 3.500 2.141 2.091 2.168 . 0 0 "[ . 1 . 2 .]" 3
384 1 42 ILE MG 1 43 CYS H 5.000 . 5.000 3.646 3.587 3.730 . 0 0 "[ . 1 . 2 .]" 3
385 1 42 ILE MD 1 43 CYS H 5.000 . 5.000 3.857 3.562 3.973 . 0 0 "[ . 1 . 2 .]" 3
386 1 42 ILE MD 1 47 PHE H 5.000 . 5.000 3.715 3.267 3.862 . 0 0 "[ . 1 . 2 .]" 3
387 1 42 ILE MD 1 47 PHE HA 5.000 . 5.000 3.960 3.611 4.071 . 0 0 "[ . 1 . 2 .]" 3
388 1 42 ILE MD 1 47 PHE QB 5.000 . 5.000 4.084 3.908 4.151 . 0 0 "[ . 1 . 2 .]" 3
389 1 42 ILE MD 1 47 PHE QD 2.800 . 2.800 2.293 2.013 2.418 . 0 0 "[ . 1 . 2 .]" 3
390 1 42 ILE MD 1 47 PHE QE 2.800 . 2.800 2.680 1.968 2.843 0.043 7 0 "[ . 1 . 2 .]" 3
391 1 42 ILE MD 1 50 TYR QD 3.500 . 3.500 3.577 3.526 3.607 0.107 25 0 "[ . 1 . 2 .]" 3
392 1 42 ILE MD 1 50 TYR QE 2.800 . 2.800 2.006 1.878 2.082 . 0 0 "[ . 1 . 2 .]" 3
393 1 42 ILE MG 1 68 TRP HA 5.000 . 5.000 4.620 4.533 4.712 . 0 0 "[ . 1 . 2 .]" 3
394 1 42 ILE MG 1 68 TRP HD1 2.800 . 2.800 2.816 2.739 2.843 0.043 10 0 "[ . 1 . 2 .]" 3
395 1 42 ILE MG 1 68 TRP HE1 2.800 . 2.800 2.327 2.197 2.418 . 0 0 "[ . 1 . 2 .]" 3
396 1 43 CYS HA 1 43 CYS QB 2.800 . 2.800 2.197 2.195 2.200 . 0 0 "[ . 1 . 2 .]" 3
397 1 43 CYS H 1 43 CYS HB3 2.800 . 2.800 2.764 2.710 2.844 0.044 3 0 "[ . 1 . 2 .]" 3
398 1 43 CYS HA 1 44 LYS H 2.800 . 2.800 2.496 2.464 2.555 . 0 0 "[ . 1 . 2 .]" 3
399 1 43 CYS HB3 1 44 LYS H 5.000 . 5.000 3.989 3.916 4.047 . 0 0 "[ . 1 . 2 .]" 3
400 1 43 CYS HA 1 45 ASN H 5.000 . 5.000 4.487 4.424 4.593 . 0 0 "[ . 1 . 2 .]" 3
401 1 44 LYS H 1 44 LYS QB 3.500 . 3.500 2.120 2.067 2.229 . 0 0 "[ . 1 . 2 .]" 3
402 1 44 LYS H 1 45 ASN H 2.800 . 2.800 2.787 2.690 2.834 0.034 3 0 "[ . 1 . 2 .]" 3
403 1 44 LYS HA 1 45 ASN H 3.500 . 3.500 3.571 3.565 3.579 0.079 2 0 "[ . 1 . 2 .]" 3
404 1 44 LYS QB 1 45 ASN H 3.500 . 3.500 2.682 2.527 2.797 . 0 0 "[ . 1 . 2 .]" 3
405 1 44 LYS HA 1 47 PHE H 3.500 . 3.500 3.317 3.170 3.505 0.005 2 0 "[ . 1 . 2 .]" 3
406 1 44 LYS HA 1 47 PHE QB 3.500 . 3.500 2.891 2.513 3.160 . 0 0 "[ . 1 . 2 .]" 3
407 1 45 ASN HA 1 45 ASN HB3 2.800 . 2.800 2.707 2.689 2.728 . 0 0 "[ . 1 . 2 .]" 3
408 1 45 ASN H 1 45 ASN HB2 2.800 . 2.800 2.151 2.138 2.167 . 0 0 "[ . 1 . 2 .]" 3
409 1 45 ASN H 1 46 CYS H 2.800 . 2.800 2.818 2.804 2.835 0.035 21 0 "[ . 1 . 2 .]" 3
410 1 45 ASN HA 1 46 CYS H 3.500 . 3.500 3.549 3.544 3.557 0.057 8 0 "[ . 1 . 2 .]" 3
411 1 45 ASN QB 1 46 CYS H 5.000 . 5.000 2.937 2.892 2.975 . 0 0 "[ . 1 . 2 .]" 3
412 1 45 ASN H 1 47 PHE H 5.000 . 5.000 4.510 4.412 4.605 . 0 0 "[ . 1 . 2 .]" 3
413 1 45 ASN HA 1 48 LYS H 3.500 . 3.500 3.526 3.504 3.553 0.053 10 0 "[ . 1 . 2 .]" 3
414 1 45 ASN QB 1 48 LYS H 5.000 . 5.000 5.029 5.011 5.044 0.044 23 0 "[ . 1 . 2 .]" 3
415 1 45 ASN HA 1 49 TYR H 5.000 . 5.000 4.200 3.945 4.395 . 0 0 "[ . 1 . 2 .]" 3
416 1 46 CYS H 1 46 CYS HB3 3.500 . 3.500 3.457 3.437 3.495 . 0 0 "[ . 1 . 2 .]" 3
417 1 46 CYS H 1 46 CYS HB2 2.800 . 2.800 2.117 2.101 2.155 . 0 0 "[ . 1 . 2 .]" 3
418 1 46 CYS H 1 47 PHE H 2.800 . 2.800 2.608 2.534 2.658 . 0 0 "[ . 1 . 2 .]" 3
419 1 46 CYS HA 1 47 PHE H 3.500 . 3.500 3.587 3.584 3.594 0.094 6 0 "[ . 1 . 2 .]" 3
420 1 46 CYS QB 1 47 PHE H 5.000 . 5.000 2.693 2.568 2.741 . 0 0 "[ . 1 . 2 .]" 3
421 1 46 CYS H 1 48 LYS H 5.000 . 5.000 4.078 3.970 4.153 . 0 0 "[ . 1 . 2 .]" 3
422 1 46 CYS HA 1 49 TYR H 3.500 . 3.500 3.447 3.324 3.505 0.005 22 0 "[ . 1 . 2 .]" 3
423 1 46 CYS HA 1 49 TYR QB 3.500 . 3.500 2.833 2.605 2.968 . 0 0 "[ . 1 . 2 .]" 3
424 1 46 CYS HA 1 49 TYR QD 5.000 . 5.000 4.748 4.533 4.884 . 0 0 "[ . 1 . 2 .]" 3
425 1 47 PHE H 1 47 PHE QB 3.500 . 3.500 2.071 2.064 2.075 . 0 0 "[ . 1 . 2 .]" 3
426 1 47 PHE H 1 48 LYS H 2.800 . 2.800 2.675 2.640 2.748 . 0 0 "[ . 1 . 2 .]" 3
427 1 47 PHE QD 1 48 LYS H 5.000 . 5.000 4.639 4.618 4.661 . 0 0 "[ . 1 . 2 .]" 3
428 1 47 PHE HA 1 49 TYR H 5.000 . 5.000 4.376 4.320 4.511 . 0 0 "[ . 1 . 2 .]" 3
429 1 47 PHE H 1 49 TYR H 5.000 . 5.000 4.146 4.096 4.226 . 0 0 "[ . 1 . 2 .]" 3
430 1 47 PHE HA 1 50 TYR H 3.500 . 3.500 3.288 3.180 3.567 0.067 1 0 "[ . 1 . 2 .]" 3
431 1 47 PHE HA 1 50 TYR QD 3.500 . 3.500 2.199 2.102 2.399 . 0 0 "[ . 1 . 2 .]" 3
432 1 47 PHE QD 1 51 MET ME 5.000 . 5.000 2.891 1.938 3.971 . 0 0 "[ . 1 . 2 .]" 3
433 1 47 PHE QE 1 51 MET ME 5.000 . 5.000 3.129 2.392 3.840 . 0 0 "[ . 1 . 2 .]" 3
434 1 47 PHE HZ 1 51 MET ME 5.000 . 5.000 4.538 3.737 4.995 . 0 0 "[ . 1 . 2 .]" 3
435 1 48 LYS H 1 49 TYR H 3.500 . 3.500 2.721 2.604 2.765 . 0 0 "[ . 1 . 2 .]" 3
436 1 48 LYS HA 1 49 TYR H 5.000 . 5.000 3.592 3.589 3.595 . 0 0 "[ . 1 . 2 .]" 3
437 1 48 LYS QB 1 49 TYR H 5.000 . 5.000 2.600 2.536 2.684 . 0 0 "[ . 1 . 2 .]" 3
438 1 48 LYS HA 1 51 MET H 3.500 . 3.500 3.514 3.466 3.527 0.027 15 0 "[ . 1 . 2 .]" 3
439 1 48 LYS HA 1 51 MET QB 3.500 . 3.500 2.671 2.587 2.931 . 0 0 "[ . 1 . 2 .]" 3
440 1 48 LYS HA 1 52 SER H 5.000 . 5.000 3.560 3.499 3.831 . 0 0 "[ . 1 . 2 .]" 3
441 1 49 TYR HA 1 49 TYR HB2 2.800 . 2.800 2.661 2.645 2.686 . 0 0 "[ . 1 . 2 .]" 3
442 1 49 TYR H 1 49 TYR QB 3.500 . 3.500 2.143 2.115 2.163 . 0 0 "[ . 1 . 2 .]" 3
443 1 49 TYR H 1 49 TYR HB3 2.800 . 2.800 2.834 2.806 2.867 0.067 22 0 "[ . 1 . 2 .]" 3
444 1 49 TYR H 1 49 TYR HB2 2.800 . 2.800 2.218 2.178 2.248 . 0 0 "[ . 1 . 2 .]" 3
445 1 49 TYR H 1 49 TYR QD 5.000 . 5.000 4.023 3.921 4.088 . 0 0 "[ . 1 . 2 .]" 3
446 1 49 TYR H 1 50 TYR H 2.800 . 2.800 2.657 2.631 2.730 . 0 0 "[ . 1 . 2 .]" 3
447 1 49 TYR HA 1 50 TYR H 5.000 . 5.000 3.591 3.583 3.597 . 0 0 "[ . 1 . 2 .]" 3
448 1 49 TYR H 1 51 MET H 5.000 . 5.000 4.198 4.151 4.299 . 0 0 "[ . 1 . 2 .]" 3
449 1 49 TYR HA 1 52 SER H 3.500 . 3.500 3.539 3.510 3.569 0.069 8 0 "[ . 1 . 2 .]" 3
450 1 49 TYR HA 1 52 SER QB 3.500 . 3.500 2.766 2.601 3.532 0.032 15 0 "[ . 1 . 2 .]" 3
451 1 49 TYR QB 1 52 SER H 5.000 . 5.000 4.969 4.948 4.993 . 0 0 "[ . 1 . 2 .]" 3
452 1 49 TYR HA 1 53 ASP H 5.000 . 5.000 3.286 3.203 3.410 . 0 0 "[ . 1 . 2 .]" 3
453 1 49 TYR QB 1 70 ALA MB 3.500 . 3.500 3.398 3.197 3.522 0.022 1 0 "[ . 1 . 2 .]" 3
454 1 49 TYR QD 1 70 ALA MB 2.800 . 2.800 1.984 1.893 2.184 . 0 0 "[ . 1 . 2 .]" 3
455 1 49 TYR QE 1 70 ALA MB 2.300 . 2.300 2.152 1.973 2.315 0.015 12 0 "[ . 1 . 2 .]" 3
456 1 50 TYR H 1 50 TYR QD 5.000 . 5.000 2.927 2.880 3.010 . 0 0 "[ . 1 . 2 .]" 3
457 1 50 TYR H 1 51 MET H 2.800 . 2.800 2.519 2.460 2.571 . 0 0 "[ . 1 . 2 .]" 3
458 1 50 TYR HA 1 51 MET H 3.500 . 3.500 3.581 3.576 3.584 0.084 9 0 "[ . 1 . 2 .]" 3
459 1 50 TYR QB 1 51 MET H 5.000 . 5.000 2.516 2.487 2.560 . 0 0 "[ . 1 . 2 .]" 3
460 1 50 TYR QD 1 51 MET H 5.000 . 5.000 4.203 4.138 4.248 . 0 0 "[ . 1 . 2 .]" 3
461 1 50 TYR HA 1 52 SER H 5.000 . 5.000 4.457 4.304 4.539 . 0 0 "[ . 1 . 2 .]" 3
462 1 50 TYR QB 1 52 SER H 5.000 . 5.000 4.656 4.621 4.683 . 0 0 "[ . 1 . 2 .]" 3
463 1 50 TYR HA 1 53 ASP H 3.500 . 3.500 3.593 3.557 3.618 0.118 25 0 "[ . 1 . 2 .]" 3
464 1 50 TYR HA 1 70 ALA MB 3.500 . 3.500 3.491 3.448 3.523 0.023 8 0 "[ . 1 . 2 .]" 3
465 1 50 TYR QD 1 70 ALA MB 2.300 . 2.300 2.358 2.335 2.382 0.082 24 0 "[ . 1 . 2 .]" 3
466 1 50 TYR QE 1 70 ALA MB 2.800 . 2.800 2.627 2.435 2.721 . 0 0 "[ . 1 . 2 .]" 3
467 1 51 MET H 1 52 SER H 3.500 . 3.500 2.565 2.534 2.603 . 0 0 "[ . 1 . 2 .]" 3
468 1 51 MET HA 1 52 SER H 3.500 . 3.500 3.574 3.564 3.582 0.082 12 0 "[ . 1 . 2 .]" 3
469 1 51 MET QB 1 52 SER H 5.000 . 5.000 2.743 2.650 2.900 . 0 0 "[ . 1 . 2 .]" 3
470 1 51 MET QG 1 52 SER H 5.000 . 5.000 4.263 4.040 4.620 . 0 0 "[ . 1 . 2 .]" 3
471 1 51 MET H 1 53 ASP H 5.000 . 5.000 4.014 3.965 4.119 . 0 0 "[ . 1 . 2 .]" 3
472 1 51 MET HA 1 53 ASP H 5.000 . 5.000 4.629 4.564 4.718 . 0 0 "[ . 1 . 2 .]" 3
473 1 52 SER H 1 52 SER QB 3.500 . 3.500 2.347 2.252 2.518 . 0 0 "[ . 1 . 2 .]" 3
474 1 52 SER H 1 53 ASP H 2.800 . 2.800 2.435 2.347 2.512 . 0 0 "[ . 1 . 2 .]" 3
475 1 52 SER HA 1 53 ASP H 3.500 . 3.500 3.582 3.571 3.585 0.085 20 0 "[ . 1 . 2 .]" 3
476 1 52 SER QB 1 53 ASP H 3.500 . 3.500 2.764 2.637 3.480 . 0 0 "[ . 1 . 2 .]" 3
477 1 53 ASP H 1 53 ASP QB 3.500 . 3.500 2.419 2.267 2.523 . 0 0 "[ . 1 . 2 .]" 3
478 1 53 ASP H 1 54 ASP H 5.000 . 5.000 4.313 4.220 4.456 . 0 0 "[ . 1 . 2 .]" 3
479 1 53 ASP HA 1 54 ASP H 2.300 . 2.300 2.246 2.240 2.257 . 0 0 "[ . 1 . 2 .]" 3
480 1 53 ASP QB 1 54 ASP H 3.500 . 3.500 3.507 3.273 3.541 0.041 8 0 "[ . 1 . 2 .]" 3
481 1 54 ASP HA 1 54 ASP HB3 2.800 . 2.800 2.568 2.488 2.703 . 0 0 "[ . 1 . 2 .]" 3
482 1 54 ASP H 1 54 ASP HB2 2.800 . 2.800 2.335 2.215 2.437 . 0 0 "[ . 1 . 2 .]" 3
483 1 54 ASP H 1 55 ILE H 5.000 . 5.000 4.594 4.563 4.618 . 0 0 "[ . 1 . 2 .]" 3
484 1 54 ASP HA 1 55 ILE H 2.300 . 2.300 2.378 2.354 2.409 0.109 3 0 "[ . 1 . 2 .]" 3
485 1 54 ASP QB 1 55 ILE H 5.000 . 5.000 2.769 2.668 2.931 . 0 0 "[ . 1 . 2 .]" 3
486 1 55 ILE HA 1 55 ILE MG 3.500 . 3.500 2.258 2.198 2.327 . 0 0 "[ . 1 . 2 .]" 3
487 1 55 ILE HA 1 55 ILE MD 3.500 . 3.500 2.024 1.938 2.070 . 0 0 "[ . 1 . 2 .]" 3
488 1 55 ILE HB 1 55 ILE MD 3.500 . 3.500 3.204 3.201 3.207 . 0 0 "[ . 1 . 2 .]" 3
489 1 55 ILE MD 1 55 ILE MG 3.500 . 3.500 1.920 1.821 2.023 . 0 0 "[ . 1 . 2 .]" 3
490 1 55 ILE H 1 55 ILE MD 5.000 . 5.000 3.310 3.223 3.417 . 0 0 "[ . 1 . 2 .]" 3
491 1 55 ILE H 1 56 SER H 5.000 . 5.000 4.652 4.489 4.700 . 0 0 "[ . 1 . 2 .]" 3
492 1 55 ILE HA 1 56 SER H 2.800 . 2.800 2.341 2.209 2.448 . 0 0 "[ . 1 . 2 .]" 3
493 1 55 ILE HB 1 56 SER H 5.000 . 5.000 3.969 3.722 4.427 . 0 0 "[ . 1 . 2 .]" 3
494 1 55 ILE MG 1 56 SER H 3.500 . 3.500 2.335 2.034 3.076 . 0 0 "[ . 1 . 2 .]" 3
495 1 55 ILE MD 1 56 SER H 3.500 . 3.500 3.532 3.478 3.607 0.107 8 0 "[ . 1 . 2 .]" 3
496 1 55 ILE MG 1 63 ASP HA 3.500 . 3.500 3.518 3.252 3.615 0.115 16 0 "[ . 1 . 2 .]" 3
497 1 55 ILE MG 1 64 GLU H 3.500 . 3.500 3.327 3.006 3.565 0.065 3 0 "[ . 1 . 2 .]" 3
498 1 55 ILE MG 1 65 GLN H 3.500 . 3.500 3.222 2.970 3.522 0.022 8 0 "[ . 1 . 2 .]" 3
499 1 55 ILE MG 1 65 GLN QB 2.800 . 2.800 1.760 1.668 1.995 . 0 0 "[ . 1 . 2 .]" 3
500 1 55 ILE MD 1 65 GLN QB 2.800 . 2.800 1.951 1.808 2.150 . 0 0 "[ . 1 . 2 .]" 3
501 1 55 ILE MG 1 67 ARG HA 5.000 . 5.000 4.741 4.190 5.068 0.068 25 0 "[ . 1 . 2 .]" 3
502 1 55 ILE MD 1 67 ARG HA 5.000 . 5.000 3.856 3.593 4.104 . 0 0 "[ . 1 . 2 .]" 3
503 1 55 ILE MG 1 70 ALA HA 5.000 . 5.000 4.776 4.507 5.005 0.005 22 0 "[ . 1 . 2 .]" 3
504 1 55 ILE QG 1 70 ALA MB 3.500 . 3.500 3.523 3.451 3.563 0.063 22 0 "[ . 1 . 2 .]" 3
505 1 55 ILE MD 1 70 ALA HA 2.800 . 2.800 2.208 1.950 2.357 . 0 0 "[ . 1 . 2 .]" 3
506 1 55 ILE MD 1 70 ALA MB 2.800 . 2.800 2.604 2.410 2.787 . 0 0 "[ . 1 . 2 .]" 3
507 1 55 ILE MD 1 70 ALA H 5.000 . 5.000 4.078 3.823 4.293 . 0 0 "[ . 1 . 2 .]" 3
508 1 55 ILE MD 1 71 GLU H 5.000 . 5.000 3.145 2.890 3.476 . 0 0 "[ . 1 . 2 .]" 3
509 1 56 SER HA 1 57 ARG H 3.500 . 3.500 2.854 2.611 3.569 0.069 25 0 "[ . 1 . 2 .]" 3
510 1 57 ARG HA 1 58 ASP H 3.500 . 3.500 2.411 2.241 3.030 . 0 0 "[ . 1 . 2 .]" 3
511 1 57 ARG HA 1 58 ASP HA 5.000 . 5.000 4.605 4.449 5.051 0.051 19 0 "[ . 1 . 2 .]" 3
512 1 57 ARG HA 1 63 ASP HA 5.000 . 5.000 3.005 1.989 4.688 . 0 0 "[ . 1 . 2 .]" 3
513 1 57 ARG QG 1 63 ASP HA 5.000 . 5.000 3.637 2.587 4.857 . 0 0 "[ . 1 . 2 .]" 3
514 1 57 ARG QD 1 63 ASP HA 5.000 . 5.000 4.548 3.583 5.096 0.096 19 0 "[ . 1 . 2 .]" 3
515 1 58 ASP HA 1 59 SER H 3.500 . 3.500 2.796 2.508 3.620 0.120 19 0 "[ . 1 . 2 .]" 3
516 1 58 ASP QB 1 59 SER H 3.500 . 3.500 2.657 2.125 3.537 0.037 16 0 "[ . 1 . 2 .]" 3
517 1 58 ASP QB 1 59 SER HA 5.000 . 5.000 4.430 3.899 4.814 . 0 0 "[ . 1 . 2 .]" 3
518 1 58 ASP H 1 60 ASP H 5.000 . 5.000 4.358 3.425 5.076 0.076 3 0 "[ . 1 . 2 .]" 3
519 1 58 ASP HA 1 60 ASP H 5.000 . 5.000 4.424 4.004 4.806 . 0 0 "[ . 1 . 2 .]" 3
520 1 58 ASP HA 1 61 GLY H 5.000 . 5.000 4.311 3.037 5.056 0.056 15 0 "[ . 1 . 2 .]" 3
521 1 58 ASP H 1 62 MET H 2.800 . 2.800 2.788 2.509 2.908 0.108 16 0 "[ . 1 . 2 .]" 3
522 1 58 ASP H 1 63 ASP HA 3.500 . 3.500 3.272 2.137 3.555 0.055 9 0 "[ . 1 . 2 .]" 3
523 1 58 ASP H 1 64 GLU H 3.500 . 3.500 3.540 3.499 3.637 0.137 19 0 "[ . 1 . 2 .]" 3
524 1 59 SER H 1 59 SER QB 3.500 . 3.500 2.632 2.167 3.118 . 0 0 "[ . 1 . 2 .]" 3
525 1 59 SER H 1 60 ASP H 5.000 . 5.000 3.260 2.607 4.085 . 0 0 "[ . 1 . 2 .]" 3
526 1 59 SER HA 1 60 ASP H 5.000 . 5.000 3.561 2.735 3.622 . 0 0 "[ . 1 . 2 .]" 3
527 1 59 SER QB 1 60 ASP H 5.000 . 5.000 2.716 2.106 3.938 . 0 0 "[ . 1 . 2 .]" 3
528 1 60 ASP H 1 60 ASP QB 3.500 . 3.500 2.395 2.294 3.065 . 0 0 "[ . 1 . 2 .]" 3
529 1 60 ASP HA 1 61 GLY H 3.500 . 3.500 2.980 2.706 3.089 . 0 0 "[ . 1 . 2 .]" 3
530 1 60 ASP QB 1 61 GLY H 5.000 . 5.000 3.844 3.790 3.988 . 0 0 "[ . 1 . 2 .]" 3
531 1 60 ASP H 1 62 MET H 3.500 . 3.500 3.205 2.819 3.688 0.188 3 0 "[ . 1 . 2 .]" 3
532 1 60 ASP QB 1 62 MET H 3.500 . 3.500 3.567 3.516 3.696 0.196 3 0 "[ . 1 . 2 .]" 3
533 1 61 GLY H 1 62 MET H 3.500 . 3.500 2.813 2.658 2.888 . 0 0 "[ . 1 . 2 .]" 3
534 1 61 GLY QA 1 62 MET H 3.500 . 3.500 2.856 2.804 2.956 . 0 0 "[ . 1 . 2 .]" 3
535 1 62 MET H 1 62 MET QB 3.500 . 3.500 2.479 2.160 3.306 . 0 0 "[ . 1 . 2 .]" 3
536 1 62 MET H 1 63 ASP H 5.000 . 5.000 3.932 2.549 4.533 . 0 0 "[ . 1 . 2 .]" 3
537 1 62 MET HA 1 63 ASP H 5.000 . 5.000 2.658 2.248 3.624 . 0 0 "[ . 1 . 2 .]" 3
538 1 62 MET ME 1 77 CYS QB 5.000 . 5.000 4.479 2.573 5.034 0.034 25 0 "[ . 1 . 2 .]" 3
539 1 63 ASP HA 1 64 GLU H 3.500 . 3.500 2.240 2.221 2.257 . 0 0 "[ . 1 . 2 .]" 3
540 1 63 ASP HA 1 65 GLN H 5.000 . 5.000 3.999 3.837 4.201 . 0 0 "[ . 1 . 2 .]" 3
541 1 64 GLU H 1 64 GLU QB 3.500 . 3.500 2.413 2.234 2.849 . 0 0 "[ . 1 . 2 .]" 3
542 1 64 GLU H 1 65 GLN H 2.800 . 2.800 2.839 2.630 2.940 0.140 16 0 "[ . 1 . 2 .]" 3
543 1 64 GLU HA 1 65 GLN H 2.800 . 2.800 2.878 2.821 2.919 0.119 16 0 "[ . 1 . 2 .]" 3
544 1 64 GLU QB 1 65 GLN H 5.000 . 5.000 3.889 3.850 4.092 . 0 0 "[ . 1 . 2 .]" 3
545 1 65 GLN H 1 65 GLN QB 3.500 . 3.500 2.656 2.433 2.827 . 0 0 "[ . 1 . 2 .]" 3
546 1 65 GLN HA 1 66 CYS H 2.800 . 2.800 2.742 2.571 2.816 0.016 8 0 "[ . 1 . 2 .]" 3
547 1 66 CYS HA 1 66 CYS HB2 2.800 . 2.800 2.494 2.421 2.533 . 0 0 "[ . 1 . 2 .]" 3
548 1 66 CYS H 1 66 CYS HB3 2.800 . 2.800 2.479 2.326 2.577 . 0 0 "[ . 1 . 2 .]" 3
549 1 66 CYS H 1 66 CYS HB2 2.800 . 2.800 2.763 2.702 2.875 0.075 24 0 "[ . 1 . 2 .]" 3
550 1 66 CYS HA 1 67 ARG H 3.500 . 3.500 2.337 2.288 2.385 . 0 0 "[ . 1 . 2 .]" 3
551 1 66 CYS QB 1 67 ARG H 3.500 . 3.500 3.540 3.522 3.573 0.073 3 0 "[ . 1 . 2 .]" 3
552 1 66 CYS HB3 1 69 CYS H 5.000 . 5.000 3.599 3.449 3.871 . 0 0 "[ . 1 . 2 .]" 3
553 1 66 CYS HB2 1 69 CYS H 5.000 . 5.000 4.673 4.570 4.853 . 0 0 "[ . 1 . 2 .]" 3
554 1 66 CYS H 1 70 ALA MB 5.000 . 5.000 5.032 4.836 5.095 0.095 25 0 "[ . 1 . 2 .]" 3
555 1 66 CYS H 1 70 ALA H 5.000 . 5.000 4.619 4.409 4.762 . 0 0 "[ . 1 . 2 .]" 3
556 1 66 CYS HA 1 70 ALA H 5.000 . 5.000 4.972 4.826 5.025 0.025 24 0 "[ . 1 . 2 .]" 3
557 1 66 CYS H 1 71 GLU H 2.800 . 2.800 2.315 2.271 2.336 . 0 0 "[ . 1 . 2 .]" 3
558 1 66 CYS H 1 72 GLY QA 3.500 . 3.500 3.479 3.254 3.569 0.069 22 0 "[ . 1 . 2 .]" 3
559 1 66 CYS H 1 75 LEU QD 2.800 . 2.800 2.887 2.839 2.918 0.118 17 0 "[ . 1 . 2 .]" 3
560 1 66 CYS QB 1 75 LEU QD 3.500 . 3.500 2.471 2.227 2.913 . 0 0 "[ . 1 . 2 .]" 3
561 1 67 ARG HA 1 68 TRP H 3.500 . 3.500 3.569 3.560 3.581 0.081 24 0 "[ . 1 . 2 .]" 3
562 1 67 ARG H 1 75 LEU QD 5.000 . 5.000 4.845 4.708 4.994 . 0 0 "[ . 1 . 2 .]" 3
563 1 67 ARG H 1 85 PHE HA 3.500 . 3.500 3.381 3.191 3.536 0.036 7 0 "[ . 1 . 2 .]" 3
564 1 68 TRP H 1 69 CYS H 2.800 . 2.800 2.821 2.738 2.875 0.075 25 0 "[ . 1 . 2 .]" 3
565 1 68 TRP HA 1 69 CYS H 5.000 . 5.000 3.627 3.613 3.634 . 0 0 "[ . 1 . 2 .]" 3
566 1 68 TRP QB 1 85 PHE QE 5.000 . 5.000 2.134 1.969 2.657 . 0 0 "[ . 1 . 2 .]" 3
567 1 68 TRP HE3 1 94 LEU QD 5.000 . 5.000 5.174 5.143 5.207 0.207 12 0 "[ . 1 . 2 .]" 3
568 1 68 TRP H 1 85 PHE QD 3.500 . 3.500 3.151 2.777 3.322 . 0 0 "[ . 1 . 2 .]" 3
569 1 68 TRP HH2 1 94 LEU QD 5.000 . 5.000 5.008 4.917 5.045 0.045 19 0 "[ . 1 . 2 .]" 3
570 1 68 TRP HZ3 1 113 ILE MD 5.000 . 5.000 5.155 5.125 5.187 0.187 21 0 "[ . 1 . 2 .]" 3
571 1 68 TRP HE3 1 119 LEU QD 5.000 . 5.000 4.997 4.830 5.075 0.075 11 0 "[ . 1 . 2 .]" 3
572 1 68 TRP HH2 1 119 LEU QD 2.800 . 2.800 2.220 1.829 2.634 . 0 0 "[ . 1 . 2 .]" 3
573 1 69 CYS H 1 69 CYS HB3 2.800 . 2.800 2.707 2.648 2.779 . 0 0 "[ . 1 . 2 .]" 3
574 1 69 CYS HA 1 69 CYS HB3 2.800 . 2.800 2.521 2.513 2.528 . 0 0 "[ . 1 . 2 .]" 3
575 1 69 CYS HA 1 69 CYS HB2 2.800 . 2.800 2.411 2.406 2.417 . 0 0 "[ . 1 . 2 .]" 3
576 1 69 CYS H 1 70 ALA H 2.800 . 2.800 2.447 2.337 2.548 . 0 0 "[ . 1 . 2 .]" 3
577 1 69 CYS HA 1 70 ALA H 5.000 . 5.000 3.398 3.370 3.434 . 0 0 "[ . 1 . 2 .]" 3
578 1 69 CYS HB2 1 70 ALA H 5.000 . 5.000 4.452 4.406 4.485 . 0 0 "[ . 1 . 2 .]" 3
579 1 70 ALA H 1 70 ALA MB 3.500 . 3.500 2.773 2.750 2.805 . 0 0 "[ . 1 . 2 .]" 3
580 1 70 ALA H 1 71 GLU H 3.500 . 3.500 3.372 3.224 3.501 0.001 22 0 "[ . 1 . 2 .]" 3
581 1 70 ALA HA 1 71 GLU H 2.800 . 2.800 2.428 2.344 2.508 . 0 0 "[ . 1 . 2 .]" 3
582 1 70 ALA MB 1 71 GLU H 5.000 . 5.000 3.712 3.659 3.743 . 0 0 "[ . 1 . 2 .]" 3
583 1 71 GLU HA 1 71 GLU HB3 2.800 . 2.800 2.782 2.727 2.832 0.032 5 0 "[ . 1 . 2 .]" 3
584 1 71 GLU H 1 71 GLU HB2 2.800 . 2.800 2.870 2.805 2.895 0.095 16 0 "[ . 1 . 2 .]" 3
585 1 71 GLU H 1 71 GLU QG 5.000 . 5.000 3.899 3.752 3.986 . 0 0 "[ . 1 . 2 .]" 3
586 1 71 GLU HA 1 72 GLY H 2.800 . 2.800 2.282 2.268 2.328 . 0 0 "[ . 1 . 2 .]" 3
587 1 71 GLU QB 1 72 GLY H 5.000 . 5.000 3.559 3.238 3.830 . 0 0 "[ . 1 . 2 .]" 3
588 1 71 GLU H 1 75 LEU QD 5.000 . 5.000 4.133 3.964 4.412 . 0 0 "[ . 1 . 2 .]" 3
589 1 72 GLY H 1 72 GLY QA 2.800 . 2.800 2.268 2.237 2.325 . 0 0 "[ . 1 . 2 .]" 3
590 1 72 GLY H 1 73 GLY H 5.000 . 5.000 4.631 4.233 4.712 . 0 0 "[ . 1 . 2 .]" 3
591 1 72 GLY QA 1 73 GLY H 3.500 . 3.500 2.345 2.228 2.358 . 0 0 "[ . 1 . 2 .]" 3
592 1 72 GLY QA 1 75 LEU QD 5.000 . 5.000 2.001 1.817 2.251 . 0 0 "[ . 1 . 2 .]" 3
593 1 73 GLY QA 1 74 ASN H 3.500 . 3.500 2.293 2.252 2.330 . 0 0 "[ . 1 . 2 .]" 3
594 1 73 GLY H 1 75 LEU QD 5.000 . 5.000 2.430 2.041 3.131 . 0 0 "[ . 1 . 2 .]" 3
595 1 73 GLY QA 1 75 LEU QD 5.000 . 5.000 3.535 3.039 3.804 . 0 0 "[ . 1 . 2 .]" 3
596 1 74 ASN H 1 75 LEU H 5.000 . 5.000 3.649 3.405 4.513 . 0 0 "[ . 1 . 2 .]" 3
597 1 74 ASN HA 1 75 LEU H 2.800 . 2.800 2.365 2.233 2.451 . 0 0 "[ . 1 . 2 .]" 3
598 1 74 ASN QB 1 75 LEU H 5.000 . 5.000 4.020 3.442 4.087 . 0 0 "[ . 1 . 2 .]" 3
599 1 74 ASN QB 1 75 LEU QD 5.000 . 5.000 4.226 3.499 4.560 . 0 0 "[ . 1 . 2 .]" 3
600 1 74 ASN HA 1 87 LYS QB 5.000 . 5.000 4.705 4.428 5.059 0.059 21 0 "[ . 1 . 2 .]" 3
601 1 75 LEU H 1 75 LEU QD 3.500 . 3.500 2.954 2.256 3.202 . 0 0 "[ . 1 . 2 .]" 3
602 1 75 LEU H 1 75 LEU HG 5.000 . 5.000 2.771 2.264 4.198 . 0 0 "[ . 1 . 2 .]" 3
603 1 75 LEU H 1 76 ILE H 5.000 . 5.000 4.476 4.413 4.566 . 0 0 "[ . 1 . 2 .]" 3
604 1 75 LEU HA 1 76 ILE H 2.300 . 2.300 2.272 2.223 2.438 0.138 24 0 "[ . 1 . 2 .]" 3
605 1 75 LEU QB 1 76 ILE H 5.000 . 5.000 3.145 2.507 3.438 . 0 0 "[ . 1 . 2 .]" 3
606 1 75 LEU QD 1 76 ILE H 5.000 . 5.000 3.919 3.431 4.238 . 0 0 "[ . 1 . 2 .]" 3
607 1 75 LEU QB 1 84 ALA MB 3.500 . 3.500 1.990 1.800 2.630 . 0 0 "[ . 1 . 2 .]" 3
608 1 75 LEU QD 1 84 ALA HA 5.000 . 5.000 4.400 3.948 4.593 . 0 0 "[ . 1 . 2 .]" 3
609 1 75 LEU QD 1 84 ALA MB 2.800 . 2.800 2.369 1.808 2.814 0.014 3 0 "[ . 1 . 2 .]" 3
610 1 75 LEU QD 1 85 PHE H 5.000 . 5.000 3.934 3.794 4.097 . 0 0 "[ . 1 . 2 .]" 3
611 1 75 LEU QD 1 85 PHE HA 3.500 . 3.500 3.388 3.268 3.573 0.073 18 0 "[ . 1 . 2 .]" 3
612 1 75 LEU HA 1 86 CYS HA 3.500 . 3.500 1.863 1.771 1.959 . 0 0 "[ . 1 . 2 .]" 3
613 1 75 LEU QB 1 86 CYS HA 3.500 . 3.500 3.354 2.978 3.524 0.024 7 0 "[ . 1 . 2 .]" 3
614 1 75 LEU QD 1 86 CYS H 5.000 . 5.000 2.506 2.100 4.012 . 0 0 "[ . 1 . 2 .]" 3
615 1 75 LEU QD 1 86 CYS HA 3.500 . 3.500 2.007 1.884 2.648 . 0 0 "[ . 1 . 2 .]" 3
616 1 75 LEU QD 1 86 CYS HB3 3.500 . 3.500 2.161 1.917 2.864 . 0 0 "[ . 1 . 2 .]" 3
617 1 75 LEU QD 1 86 CYS HB2 5.000 . 5.000 2.490 2.360 2.845 . 0 0 "[ . 1 . 2 .]" 3
618 1 75 LEU HA 1 87 LYS H 3.500 . 3.500 3.240 2.977 3.503 0.003 12 0 "[ . 1 . 2 .]" 3
619 1 75 LEU QD 1 87 LYS H 3.500 . 3.500 3.606 3.432 3.680 0.180 23 0 "[ . 1 . 2 .]" 3
620 1 75 LEU QD 1 88 LYS H 5.000 . 5.000 5.041 5.003 5.105 0.105 7 0 "[ . 1 . 2 .]" 3
621 1 76 ILE H 1 76 ILE MD 5.000 . 5.000 3.909 3.802 4.184 . 0 0 "[ . 1 . 2 .]" 3
622 1 76 ILE HA 1 76 ILE MG 3.500 . 3.500 2.320 2.283 2.355 . 0 0 "[ . 1 . 2 .]" 3
623 1 76 ILE H 1 76 ILE HB 3.500 . 3.500 2.543 2.485 2.590 . 0 0 "[ . 1 . 2 .]" 3
624 1 76 ILE H 1 76 ILE QG 3.500 . 3.500 2.254 2.114 2.624 . 0 0 "[ . 1 . 2 .]" 3
625 1 76 ILE HA 1 77 CYS H 2.300 . 2.300 2.259 2.235 2.300 0.000 24 0 "[ . 1 . 2 .]" 3
626 1 76 ILE HB 1 77 CYS H 5.000 . 5.000 4.277 4.200 4.424 . 0 0 "[ . 1 . 2 .]" 3
627 1 76 ILE QG 1 77 CYS H 5.000 . 5.000 4.394 4.323 4.472 . 0 0 "[ . 1 . 2 .]" 3
628 1 76 ILE MG 1 77 CYS H 5.000 . 5.000 2.891 2.719 3.264 . 0 0 "[ . 1 . 2 .]" 3
629 1 76 ILE H 1 84 ALA MB 5.000 . 5.000 4.257 3.620 4.546 . 0 0 "[ . 1 . 2 .]" 3
630 1 76 ILE H 1 85 PHE H 3.500 . 3.500 2.707 2.336 2.901 . 0 0 "[ . 1 . 2 .]" 3
631 1 76 ILE MG 1 85 PHE QD 5.000 . 5.000 5.032 4.947 5.082 0.082 21 0 "[ . 1 . 2 .]" 3
632 1 76 ILE H 1 86 CYS HA 3.500 . 3.500 3.565 3.405 3.671 0.171 21 0 "[ . 1 . 2 .]" 3
633 1 76 ILE MD 1 87 LYS HA 5.000 . 5.000 3.436 3.265 3.598 . 0 0 "[ . 1 . 2 .]" 3
634 1 76 ILE MG 1 90 ILE QG 3.500 . 3.500 3.524 3.484 3.579 0.079 18 0 "[ . 1 . 2 .]" 3
635 1 76 ILE MG 1 90 ILE MG 3.500 . 3.500 3.586 3.536 3.628 0.128 3 0 "[ . 1 . 2 .]" 3
636 1 76 ILE MG 1 90 ILE MD 3.500 . 3.500 3.387 3.196 3.542 0.042 17 0 "[ . 1 . 2 .]" 3
637 1 76 ILE MD 1 90 ILE MG 3.500 . 3.500 2.126 1.847 2.304 . 0 0 "[ . 1 . 2 .]" 3
638 1 76 ILE MD 1 90 ILE MD 2.800 . 2.800 2.679 2.490 2.824 0.024 20 0 "[ . 1 . 2 .]" 3
639 1 76 ILE MG 1 102 ILE MG 2.800 . 2.800 1.969 1.852 2.142 . 0 0 "[ . 1 . 2 .]" 3
640 1 76 ILE MG 1 102 ILE MD 3.500 . 3.500 3.472 3.348 3.522 0.022 6 0 "[ . 1 . 2 .]" 3
641 1 76 ILE MD 1 102 ILE MG 3.500 . 3.500 2.358 2.180 2.652 . 0 0 "[ . 1 . 2 .]" 3
642 1 76 ILE MD 1 102 ILE MD 3.500 . 3.500 2.961 2.733 3.135 . 0 0 "[ . 1 . 2 .]" 3
643 1 76 ILE MD 1 103 MET QG 5.000 . 5.000 4.018 3.086 5.010 0.010 7 0 "[ . 1 . 2 .]" 3
644 1 76 ILE MD 1 103 MET ME 5.000 . 5.000 4.330 3.229 5.011 0.011 3 0 "[ . 1 . 2 .]" 3
645 1 76 ILE MG 1 109 TRP HD1 5.000 . 5.000 5.036 4.979 5.100 0.100 11 0 "[ . 1 . 2 .]" 3
646 1 76 ILE MG 1 109 TRP HE3 2.800 . 2.800 2.564 2.476 2.689 . 0 0 "[ . 1 . 2 .]" 3
647 1 76 ILE MG 1 109 TRP HZ3 2.800 . 2.800 2.535 2.442 2.710 . 0 0 "[ . 1 . 2 .]" 3
648 1 76 ILE MG 1 109 TRP HH2 5.000 . 5.000 3.480 3.386 3.603 . 0 0 "[ . 1 . 2 .]" 3
649 1 76 ILE MD 1 109 TRP HE1 5.000 . 5.000 5.044 5.020 5.094 0.094 21 0 "[ . 1 . 2 .]" 3
650 1 77 CYS H 1 77 CYS QB 3.500 . 3.500 2.418 2.208 2.622 . 0 0 "[ . 1 . 2 .]" 3
651 1 77 CYS H 1 78 CYS H 5.000 . 5.000 4.682 4.645 4.729 . 0 0 "[ . 1 . 2 .]" 3
652 1 77 CYS HA 1 78 CYS H 2.300 . 2.300 2.322 2.303 2.353 0.053 22 0 "[ . 1 . 2 .]" 3
653 1 77 CYS QB 1 78 CYS H 3.500 . 3.500 3.100 2.679 3.514 0.014 23 0 "[ . 1 . 2 .]" 3
654 1 77 CYS HA 1 83 ASN H 5.000 . 5.000 4.177 4.061 4.311 . 0 0 "[ . 1 . 2 .]" 3
655 1 77 CYS H 1 84 ALA HA 5.000 . 5.000 4.277 4.027 4.481 . 0 0 "[ . 1 . 2 .]" 3
656 1 77 CYS HA 1 84 ALA HA 2.300 . 2.300 1.956 1.908 2.030 . 0 0 "[ . 1 . 2 .]" 3
657 1 77 CYS HA 1 84 ALA MB 3.500 . 3.500 2.989 2.662 3.178 . 0 0 "[ . 1 . 2 .]" 3
658 1 77 CYS QB 1 84 ALA HA 5.000 . 5.000 3.696 3.429 3.970 . 0 0 "[ . 1 . 2 .]" 3
659 1 77 CYS QB 1 84 ALA MB 3.500 . 3.500 3.324 2.986 3.560 0.060 1 0 "[ . 1 . 2 .]" 3
660 1 77 CYS HA 1 85 PHE H 3.500 . 3.500 3.559 3.516 3.660 0.160 20 0 "[ . 1 . 2 .]" 3
661 1 78 CYS HA 1 78 CYS HB2 2.800 . 2.800 2.469 2.459 2.482 . 0 0 "[ . 1 . 2 .]" 3
662 1 78 CYS H 1 78 CYS HB3 2.800 . 2.800 2.374 2.350 2.392 . 0 0 "[ . 1 . 2 .]" 3
663 1 78 CYS H 1 78 CYS HB2 2.800 . 2.800 2.771 2.683 2.812 0.012 14 0 "[ . 1 . 2 .]" 3
664 1 78 CYS H 1 79 ASP H 5.000 . 5.000 4.659 4.631 4.683 . 0 0 "[ . 1 . 2 .]" 3
665 1 78 CYS HA 1 79 ASP H 3.500 . 3.500 2.383 2.350 2.417 . 0 0 "[ . 1 . 2 .]" 3
666 1 78 CYS HA 1 80 PHE H 5.000 . 5.000 4.267 4.212 4.321 . 0 0 "[ . 1 . 2 .]" 3
667 1 78 CYS HB3 1 81 CYS H 3.500 . 3.500 3.456 3.325 3.501 0.001 18 0 "[ . 1 . 2 .]" 3
668 1 78 CYS HB2 1 81 CYS H 5.000 . 5.000 4.560 4.489 4.606 . 0 0 "[ . 1 . 2 .]" 3
669 1 78 CYS H 1 84 ALA HA 3.500 . 3.500 3.526 3.478 3.560 0.060 10 0 "[ . 1 . 2 .]" 3
670 1 78 CYS H 1 84 ALA MB 5.000 . 5.000 4.420 4.153 4.601 . 0 0 "[ . 1 . 2 .]" 3
671 1 78 CYS HA 1 109 TRP HE3 3.500 . 3.500 2.508 2.393 2.637 . 0 0 "[ . 1 . 2 .]" 3
672 1 78 CYS HA 1 109 TRP HZ3 3.500 . 3.500 3.434 3.203 3.524 0.024 8 0 "[ . 1 . 2 .]" 3
673 1 79 ASP H 1 79 ASP QB 3.500 . 3.500 2.209 2.143 2.369 . 0 0 "[ . 1 . 2 .]" 3
674 1 79 ASP H 1 80 PHE QD 5.000 . 5.000 3.810 3.661 3.917 . 0 0 "[ . 1 . 2 .]" 3
675 1 79 ASP H 1 80 PHE QE 5.000 . 5.000 4.825 4.696 5.024 0.024 24 0 "[ . 1 . 2 .]" 3
676 1 79 ASP HA 1 80 PHE H 3.500 . 3.500 2.939 2.897 2.959 . 0 0 "[ . 1 . 2 .]" 3
677 1 79 ASP H 1 109 TRP H 5.000 . 5.000 3.801 3.287 4.105 . 0 0 "[ . 1 . 2 .]" 3
678 1 79 ASP H 1 109 TRP HE3 5.000 . 5.000 4.292 4.166 4.440 . 0 0 "[ . 1 . 2 .]" 3
679 1 80 PHE H 1 80 PHE QD 5.000 . 5.000 3.880 3.816 3.968 . 0 0 "[ . 1 . 2 .]" 3
680 1 80 PHE H 1 81 CYS H 3.500 . 3.500 2.307 2.290 2.315 . 0 0 "[ . 1 . 2 .]" 3
681 1 80 PHE HA 1 81 CYS H 5.000 . 5.000 3.627 3.622 3.643 . 0 0 "[ . 1 . 2 .]" 3
682 1 80 PHE HZ 1 108 GLN QG 5.000 . 5.000 3.341 2.385 3.620 . 0 0 "[ . 1 . 2 .]" 3
683 1 80 PHE QD 1 108 GLN HA 5.000 . 5.000 4.945 4.414 5.024 0.024 17 0 "[ . 1 . 2 .]" 3
684 1 80 PHE QD 1 108 GLN QB 5.000 . 5.000 5.042 4.387 5.092 0.092 2 0 "[ . 1 . 2 .]" 3
685 1 80 PHE QD 1 108 GLN QG 5.000 . 5.000 4.952 4.483 5.106 0.106 14 0 "[ . 1 . 2 .]" 3
686 1 80 PHE QE 1 108 GLN QB 5.000 . 5.000 3.333 3.037 3.428 . 0 0 "[ . 1 . 2 .]" 3
687 1 80 PHE QE 1 108 GLN QG 5.000 . 5.000 3.676 3.171 3.865 . 0 0 "[ . 1 . 2 .]" 3
688 1 80 PHE QE 1 110 TYR HA 5.000 . 5.000 3.748 3.615 4.840 . 0 0 "[ . 1 . 2 .]" 3
689 1 80 PHE QD 1 110 TYR QD 2.800 . 2.800 2.842 2.814 2.915 0.115 24 0 "[ . 1 . 2 .]" 3
690 1 80 PHE QD 1 110 TYR QE 2.800 . 2.800 2.933 2.919 2.951 0.151 12 0 "[ . 1 . 2 .]" 3
691 1 80 PHE QE 1 110 TYR QE 2.800 . 2.800 2.722 2.225 2.779 . 0 0 "[ . 1 . 2 .]" 3
692 1 80 PHE HZ 1 110 TYR QE 3.500 . 3.500 3.580 3.568 3.590 0.090 2 0 "[ . 1 . 2 .]" 3
693 1 81 CYS HA 1 81 CYS HB3 2.800 . 2.800 2.517 2.512 2.521 . 0 0 "[ . 1 . 2 .]" 3
694 1 81 CYS HA 1 81 CYS HB2 2.800 . 2.800 2.425 2.419 2.428 . 0 0 "[ . 1 . 2 .]" 3
695 1 81 CYS H 1 81 CYS HB3 2.800 . 2.800 2.685 2.672 2.702 . 0 0 "[ . 1 . 2 .]" 3
696 1 81 CYS H 1 82 HIS H 2.800 . 2.800 2.692 2.675 2.708 . 0 0 "[ . 1 . 2 .]" 3
697 1 81 CYS HA 1 82 HIS H 3.500 . 3.500 3.261 3.248 3.273 . 0 0 "[ . 1 . 2 .]" 3
698 1 81 CYS HB2 1 82 HIS H 5.000 . 5.000 4.540 4.531 4.549 . 0 0 "[ . 1 . 2 .]" 3
699 1 82 HIS H 1 82 HIS QB 3.500 . 3.500 3.149 2.821 3.273 . 0 0 "[ . 1 . 2 .]" 3
700 1 82 HIS H 1 83 ASN H 3.500 . 3.500 3.338 3.254 3.408 . 0 0 "[ . 1 . 2 .]" 3
701 1 82 HIS HA 1 83 ASN H 2.300 . 2.300 2.432 2.403 2.461 0.161 18 0 "[ . 1 . 2 .]" 3
702 1 82 HIS QB 1 83 ASN H 5.000 . 5.000 3.921 3.886 4.018 . 0 0 "[ . 1 . 2 .]" 3
703 1 83 ASN H 1 83 ASN QB 3.500 . 3.500 2.658 2.525 2.730 . 0 0 "[ . 1 . 2 .]" 3
704 1 83 ASN H 1 84 ALA H 5.000 . 5.000 4.415 4.369 4.465 . 0 0 "[ . 1 . 2 .]" 3
705 1 83 ASN HA 1 84 ALA H 2.300 . 2.300 2.354 2.323 2.410 0.110 24 0 "[ . 1 . 2 .]" 3
706 1 83 ASN QB 1 84 ALA H 3.500 . 3.500 3.393 2.822 3.538 0.038 22 0 "[ . 1 . 2 .]" 3
707 1 83 ASN QD 1 113 ILE MG 3.500 . 3.500 3.031 2.649 3.505 0.005 17 0 "[ . 1 . 2 .]" 3
708 1 83 ASN QD 1 113 ILE MD 3.500 . 3.500 3.385 2.962 3.506 0.006 22 0 "[ . 1 . 2 .]" 3
709 1 84 ALA H 1 84 ALA MB 3.500 . 3.500 2.358 2.214 2.492 . 0 0 "[ . 1 . 2 .]" 3
710 1 84 ALA HA 1 85 PHE H 2.300 . 2.300 2.272 2.226 2.313 0.013 10 0 "[ . 1 . 2 .]" 3
711 1 84 ALA HA 1 85 PHE QD 5.000 . 5.000 4.397 3.997 4.711 . 0 0 "[ . 1 . 2 .]" 3
712 1 84 ALA MB 1 85 PHE H 3.500 . 3.500 3.094 2.965 3.220 . 0 0 "[ . 1 . 2 .]" 3
713 1 85 PHE HA 1 85 PHE HB3 2.800 . 2.800 2.709 2.648 2.745 . 0 0 "[ . 1 . 2 .]" 3
714 1 85 PHE HA 1 85 PHE QE 5.000 . 5.000 4.211 4.117 4.294 . 0 0 "[ . 1 . 2 .]" 3
715 1 85 PHE H 1 85 PHE HB2 2.800 . 2.800 2.310 2.241 2.395 . 0 0 "[ . 1 . 2 .]" 3
716 1 85 PHE H 1 85 PHE QD 5.000 . 5.000 3.612 3.320 3.760 . 0 0 "[ . 1 . 2 .]" 3
717 1 85 PHE H 1 86 CYS H 5.000 . 5.000 4.317 4.206 4.567 . 0 0 "[ . 1 . 2 .]" 3
718 1 85 PHE HA 1 86 CYS H 2.300 . 2.300 2.293 2.241 2.530 0.230 3 0 "[ . 1 . 2 .]" 3
719 1 85 PHE QD 1 86 CYS H 5.000 . 5.000 3.448 2.965 3.643 . 0 0 "[ . 1 . 2 .]" 3
720 1 85 PHE QB 1 90 ILE MD 3.500 . 3.500 2.035 1.788 2.700 . 0 0 "[ . 1 . 2 .]" 3
721 1 85 PHE QD 1 90 ILE MD 3.500 . 3.500 3.557 3.513 3.607 0.107 11 0 "[ . 1 . 2 .]" 3
722 1 85 PHE HZ 1 113 ILE MD 2.800 . 2.800 2.040 1.931 2.188 . 0 0 "[ . 1 . 2 .]" 3
723 1 85 PHE QE 1 113 ILE MD 2.800 . 2.800 2.854 2.828 2.903 0.103 3 0 "[ . 1 . 2 .]" 3
724 1 86 CYS H 1 86 CYS HB3 2.800 . 2.800 2.333 2.244 2.750 . 0 0 "[ . 1 . 2 .]" 3
725 1 86 CYS HA 1 86 CYS HB3 2.800 . 2.800 2.566 2.523 2.581 . 0 0 "[ . 1 . 2 .]" 3
726 1 86 CYS HA 1 86 CYS HB2 2.800 . 2.800 2.363 2.345 2.400 . 0 0 "[ . 1 . 2 .]" 3
727 1 86 CYS HA 1 87 LYS H 2.800 . 2.800 2.335 2.303 2.408 . 0 0 "[ . 1 . 2 .]" 3
728 1 86 CYS QB 1 87 LYS H 2.800 . 2.800 2.837 2.704 2.888 0.088 7 0 "[ . 1 . 2 .]" 3
729 1 86 CYS HB2 1 89 CYS H 5.000 . 5.000 4.389 4.302 4.440 . 0 0 "[ . 1 . 2 .]" 3
730 1 87 LYS H 1 87 LYS QB 3.500 . 3.500 2.196 2.096 2.421 . 0 0 "[ . 1 . 2 .]" 3
731 1 87 LYS H 1 88 LYS H 2.800 . 2.800 2.782 2.752 2.849 0.049 18 0 "[ . 1 . 2 .]" 3
732 1 87 LYS H 1 89 CYS H 5.000 . 5.000 4.354 4.305 4.384 . 0 0 "[ . 1 . 2 .]" 3
733 1 87 LYS HA 1 89 CYS H 5.000 . 5.000 3.933 3.891 4.030 . 0 0 "[ . 1 . 2 .]" 3
734 1 87 LYS HA 1 90 ILE H 3.500 . 3.500 3.291 3.077 3.500 . 1 0 "[ . 1 . 2 .]" 3
735 1 87 LYS HA 1 90 ILE HB 5.000 . 5.000 2.735 2.471 3.001 . 0 0 "[ . 1 . 2 .]" 3
736 1 87 LYS HA 1 90 ILE MD 5.000 . 5.000 3.145 2.192 4.924 . 0 0 "[ . 1 . 2 .]" 3
737 1 87 LYS HA 1 90 ILE MG 5.000 . 5.000 4.179 3.937 4.419 . 0 0 "[ . 1 . 2 .]" 3
738 1 87 LYS HA 1 91 LEU H 5.000 . 5.000 3.449 3.172 3.635 . 0 0 "[ . 1 . 2 .]" 3
739 1 88 LYS H 1 89 CYS H 2.800 . 2.800 2.842 2.795 2.857 0.057 2 0 "[ . 1 . 2 .]" 3
740 1 88 LYS HA 1 89 CYS H 3.500 . 3.500 3.546 3.532 3.560 0.060 18 0 "[ . 1 . 2 .]" 3
741 1 88 LYS QB 1 89 CYS H 5.000 . 5.000 2.909 2.809 3.009 . 0 0 "[ . 1 . 2 .]" 3
742 1 88 LYS H 1 90 ILE H 5.000 . 5.000 4.462 4.290 4.658 . 0 0 "[ . 1 . 2 .]" 3
743 1 88 LYS HA 1 91 LEU H 5.000 . 5.000 3.861 3.738 4.000 . 0 0 "[ . 1 . 2 .]" 3
744 1 88 LYS HA 1 91 LEU QB 5.000 . 5.000 2.804 2.635 2.915 . 0 0 "[ . 1 . 2 .]" 3
745 1 88 LYS QB 1 91 LEU QB 5.000 . 5.000 4.648 4.526 4.765 . 0 0 "[ . 1 . 2 .]" 3
746 1 88 LYS HA 1 91 LEU QD 3.500 . 3.500 3.500 3.301 3.564 0.064 24 0 "[ . 1 . 2 .]" 3
747 1 88 LYS HA 1 92 ARG H 5.000 . 5.000 3.772 3.640 3.903 . 0 0 "[ . 1 . 2 .]" 3
748 1 88 LYS QE 1 92 ARG HA 5.000 . 5.000 4.814 4.199 5.013 0.013 15 0 "[ . 1 . 2 .]" 3
749 1 88 LYS H 1 99 LEU QD 5.000 . 5.000 5.046 5.017 5.079 0.079 17 0 "[ . 1 . 2 .]" 3
750 1 89 CYS H 1 89 CYS HB2 2.800 . 2.800 2.181 2.157 2.217 . 0 0 "[ . 1 . 2 .]" 3
751 1 89 CYS HA 1 89 CYS HB3 2.800 . 2.800 2.653 2.619 2.691 . 0 0 "[ . 1 . 2 .]" 3
752 1 89 CYS H 1 90 ILE H 2.800 . 2.800 2.409 2.359 2.491 . 0 0 "[ . 1 . 2 .]" 3
753 1 89 CYS HA 1 90 ILE H 5.000 . 5.000 3.594 3.583 3.611 . 0 0 "[ . 1 . 2 .]" 3
754 1 89 CYS HB3 1 90 ILE H 5.000 . 5.000 3.348 3.121 3.514 . 0 0 "[ . 1 . 2 .]" 3
755 1 89 CYS HB2 1 90 ILE H 2.800 . 2.800 2.721 2.610 2.835 0.035 11 0 "[ . 1 . 2 .]" 3
756 1 89 CYS H 1 91 LEU H 5.000 . 5.000 3.806 3.721 3.931 . 0 0 "[ . 1 . 2 .]" 3
757 1 89 CYS HA 1 92 ARG H 3.500 . 3.500 3.502 3.444 3.550 0.050 3 0 "[ . 1 . 2 .]" 3
758 1 89 CYS QB 1 92 ARG QB 5.000 . 5.000 4.669 4.504 4.819 . 0 0 "[ . 1 . 2 .]" 3
759 1 89 CYS HA 1 93 ASN H 5.000 . 5.000 3.683 3.553 3.813 . 0 0 "[ . 1 . 2 .]" 3
760 1 90 ILE HA 1 90 ILE MG 3.500 . 3.500 2.352 2.265 2.393 . 0 0 "[ . 1 . 2 .]" 3
761 1 90 ILE H 1 90 ILE HB 3.500 . 3.500 2.415 2.371 2.494 . 0 0 "[ . 1 . 2 .]" 3
762 1 90 ILE HB 1 90 ILE MD 3.500 . 3.500 2.354 1.946 3.222 . 0 0 "[ . 1 . 2 .]" 3
763 1 90 ILE H 1 91 LEU H 2.800 . 2.800 2.572 2.514 2.656 . 0 0 "[ . 1 . 2 .]" 3
764 1 90 ILE QG 1 93 ASN H 5.000 . 5.000 5.164 5.102 5.310 0.310 17 0 "[ . 1 . 2 .]" 3
765 1 90 ILE MG 1 93 ASN H 5.000 . 5.000 4.714 4.635 4.752 . 0 0 "[ . 1 . 2 .]" 3
766 1 90 ILE MG 1 93 ASN QB 5.000 . 5.000 4.326 4.151 4.400 . 0 0 "[ . 1 . 2 .]" 3
767 1 90 ILE MG 1 93 ASN QD 5.000 . 5.000 5.028 4.993 5.120 0.120 17 0 "[ . 1 . 2 .]" 3
768 1 90 ILE HA 1 94 LEU H 5.000 . 5.000 2.711 2.641 2.799 . 0 0 "[ . 1 . 2 .]" 3
769 1 90 ILE HA 1 94 LEU QD 3.500 . 3.500 2.024 1.924 2.295 . 0 0 "[ . 1 . 2 .]" 3
770 1 90 ILE HB 1 99 LEU QD 3.500 . 3.500 2.150 1.890 2.320 . 0 0 "[ . 1 . 2 .]" 3
771 1 90 ILE MG 1 99 LEU H 3.500 . 3.500 3.463 3.394 3.546 0.046 10 0 "[ . 1 . 2 .]" 3
772 1 90 ILE MG 1 99 LEU QB 3.500 . 3.500 2.188 2.034 2.323 . 0 0 "[ . 1 . 2 .]" 3
773 1 90 ILE MG 1 99 LEU HG 2.800 . 2.800 2.625 2.105 2.814 0.014 21 0 "[ . 1 . 2 .]" 3
774 1 90 ILE QG 1 99 LEU QD 3.500 . 3.500 1.987 1.873 2.144 . 0 0 "[ . 1 . 2 .]" 3
775 1 90 ILE MD 1 99 LEU QB 5.000 . 5.000 5.034 5.008 5.063 0.063 8 0 "[ . 1 . 2 .]" 3
776 1 90 ILE HB 1 102 ILE MD 5.000 . 5.000 4.620 4.143 4.993 . 0 0 "[ . 1 . 2 .]" 3
777 1 90 ILE MG 1 102 ILE MG 5.000 . 5.000 3.326 3.179 3.508 . 0 0 "[ . 1 . 2 .]" 3
778 1 90 ILE QG 1 102 ILE MD 5.000 . 5.000 3.626 3.164 4.304 . 0 0 "[ . 1 . 2 .]" 3
779 1 90 ILE MG 1 102 ILE MD 5.000 . 5.000 2.224 1.843 2.532 . 0 0 "[ . 1 . 2 .]" 3
780 1 90 ILE MD 1 102 ILE MG 5.000 . 5.000 4.215 3.383 4.613 . 0 0 "[ . 1 . 2 .]" 3
781 1 90 ILE MD 1 102 ILE MD 5.000 . 5.000 4.016 2.832 4.633 . 0 0 "[ . 1 . 2 .]" 3
782 1 90 ILE MD 1 112 TYR QE 5.000 . 5.000 3.110 2.161 3.745 . 0 0 "[ . 1 . 2 .]" 3
783 1 91 LEU H 1 91 LEU HA 2.800 . 2.800 2.886 2.881 2.891 0.091 6 0 "[ . 1 . 2 .]" 3
784 1 91 LEU H 1 91 LEU QB 3.500 . 3.500 2.173 2.102 2.244 . 0 0 "[ . 1 . 2 .]" 3
785 1 91 LEU HA 1 91 LEU HG 3.500 . 3.500 2.735 2.322 3.133 . 0 0 "[ . 1 . 2 .]" 3
786 1 91 LEU HA 1 91 LEU QD 3.500 . 3.500 2.105 1.933 2.388 . 0 0 "[ . 1 . 2 .]" 3
787 1 91 LEU H 1 92 ARG H 2.800 . 2.800 2.668 2.635 2.700 . 0 0 "[ . 1 . 2 .]" 3
788 1 91 LEU HA 1 92 ARG H 5.000 . 5.000 3.593 3.585 3.601 . 0 0 "[ . 1 . 2 .]" 3
789 1 91 LEU HA 1 94 LEU H 5.000 . 5.000 4.228 4.158 4.294 . 0 0 "[ . 1 . 2 .]" 3
790 1 91 LEU HA 1 95 GLY H 2.800 . 2.800 2.667 2.572 2.752 . 0 0 "[ . 1 . 2 .]" 3
791 1 91 LEU QD 1 95 GLY H 3.500 . 3.500 3.574 3.541 3.594 0.094 8 0 "[ . 1 . 2 .]" 3
792 1 91 LEU HA 1 95 GLY QA 5.000 . 5.000 3.197 2.944 3.312 . 0 0 "[ . 1 . 2 .]" 3
793 1 91 LEU QD 1 95 GLY QA 3.500 . 3.500 2.581 2.378 2.787 . 0 0 "[ . 1 . 2 .]" 3
794 1 91 LEU HA 1 96 ARG HA 5.000 . 5.000 3.655 3.521 4.015 . 0 0 "[ . 1 . 2 .]" 3
795 1 91 LEU QD 1 96 ARG H 3.500 . 3.500 3.181 2.938 3.439 . 0 0 "[ . 1 . 2 .]" 3
796 1 91 LEU QD 1 96 ARG HA 5.000 . 5.000 2.828 2.271 3.364 . 0 0 "[ . 1 . 2 .]" 3
797 1 91 LEU QD 1 96 ARG QB 5.000 . 5.000 2.611 2.210 3.500 . 0 0 "[ . 1 . 2 .]" 3
798 1 91 LEU QD 1 96 ARG QD 5.000 . 5.000 3.327 1.805 4.401 . 0 0 "[ . 1 . 2 .]" 3
799 1 91 LEU H 1 99 LEU QD 3.500 . 3.500 2.819 2.602 2.986 . 0 0 "[ . 1 . 2 .]" 3
800 1 91 LEU HA 1 99 LEU QD 5.000 . 5.000 3.059 2.694 3.289 . 0 0 "[ . 1 . 2 .]" 3
801 1 92 ARG H 1 92 ARG QB 3.500 . 3.500 2.262 2.164 2.317 . 0 0 "[ . 1 . 2 .]" 3
802 1 92 ARG H 1 93 ASN H 2.800 . 2.800 2.469 2.433 2.522 . 0 0 "[ . 1 . 2 .]" 3
803 1 92 ARG HA 1 93 ASN H 3.500 . 3.500 3.564 3.555 3.579 0.079 6 0 "[ . 1 . 2 .]" 3
804 1 92 ARG QB 1 93 ASN H 5.000 . 5.000 2.900 2.840 2.971 . 0 0 "[ . 1 . 2 .]" 3
805 1 92 ARG HA 1 94 LEU H 5.000 . 5.000 4.993 4.934 5.022 0.022 6 0 "[ . 1 . 2 .]" 3
806 1 92 ARG H 1 94 LEU H 5.000 . 5.000 4.130 4.085 4.200 . 0 0 "[ . 1 . 2 .]" 3
807 1 92 ARG HA 1 95 GLY H 5.000 . 5.000 4.476 4.390 4.546 . 0 0 "[ . 1 . 2 .]" 3
808 1 93 ASN H 1 93 ASN QB 3.500 . 3.500 2.319 2.280 2.436 . 0 0 "[ . 1 . 2 .]" 3
809 1 93 ASN H 1 94 LEU H 3.500 . 3.500 2.322 2.307 2.336 . 0 0 "[ . 1 . 2 .]" 3
810 1 93 ASN HA 1 94 LEU H 3.500 . 3.500 3.581 3.577 3.586 0.086 3 0 "[ . 1 . 2 .]" 3
811 1 93 ASN H 1 95 GLY H 3.500 . 3.500 3.554 3.541 3.572 0.072 3 0 "[ . 1 . 2 .]" 3
812 1 93 ASN HA 1 95 GLY H 5.000 . 5.000 4.989 4.952 5.022 0.022 17 0 "[ . 1 . 2 .]" 3
813 1 93 ASN H 1 122 LEU QD 5.000 . 5.000 4.977 4.597 5.061 0.061 3 0 "[ . 1 . 2 .]" 3
814 1 93 ASN QD 1 122 LEU QD 3.500 . 3.500 2.873 2.404 3.527 0.027 5 0 "[ . 1 . 2 .]" 3
815 1 94 LEU H 1 95 GLY H 2.800 . 2.800 2.303 2.284 2.315 . 0 0 "[ . 1 . 2 .]" 3
816 1 94 LEU HA 1 95 GLY H 3.500 . 3.500 3.588 3.584 3.592 0.092 8 0 "[ . 1 . 2 .]" 3
817 1 94 LEU QD 1 95 GLY H 5.000 . 5.000 3.792 3.722 3.858 . 0 0 "[ . 1 . 2 .]" 3
818 1 94 LEU QD 1 98 GLU H 5.000 . 5.000 5.078 5.014 5.117 0.117 18 0 "[ . 1 . 2 .]" 3
819 1 94 LEU QD 1 102 ILE MG 3.500 . 3.500 3.643 3.598 3.677 0.177 9 0 "[ . 1 . 2 .]" 3
820 1 94 LEU QD 1 102 ILE MD 3.500 . 3.500 1.706 1.659 1.766 . 0 0 "[ . 1 . 2 .]" 3
821 1 94 LEU QD 1 112 TYR QE 3.500 . 3.500 1.895 1.798 1.925 . 0 0 "[ . 1 . 2 .]" 3
822 1 94 LEU QD 1 112 TYR HH 2.800 . 2.800 1.937 1.856 2.288 . 0 0 "[ . 1 . 2 .]" 3
823 1 95 GLY H 1 96 ARG H 5.000 . 5.000 4.576 4.556 4.608 . 0 0 "[ . 1 . 2 .]" 3
824 1 95 GLY QA 1 96 ARG H 3.500 . 3.500 2.330 2.264 2.347 . 0 0 "[ . 1 . 2 .]" 3
825 1 95 GLY QA 1 97 LYS H 5.000 . 5.000 3.699 3.611 3.988 . 0 0 "[ . 1 . 2 .]" 3
826 1 96 ARG H 1 96 ARG QB 3.500 . 3.500 2.266 2.186 2.361 . 0 0 "[ . 1 . 2 .]" 3
827 1 96 ARG HA 1 97 LYS H 3.500 . 3.500 3.583 3.575 3.601 0.101 17 0 "[ . 1 . 2 .]" 3
828 1 96 ARG QB 1 97 LYS H 2.800 . 2.800 2.597 2.361 2.695 . 0 0 "[ . 1 . 2 .]" 3
829 1 96 ARG HA 1 99 LEU H 3.500 . 3.500 3.522 3.505 3.538 0.038 25 0 "[ . 1 . 2 .]" 3
830 1 96 ARG HA 1 99 LEU QD 5.000 . 5.000 3.496 3.364 3.580 . 0 0 "[ . 1 . 2 .]" 3
831 1 96 ARG QG 1 99 LEU QD 5.000 . 5.000 3.703 3.428 4.581 . 0 0 "[ . 1 . 2 .]" 3
832 1 96 ARG HA 1 100 SER H 5.000 . 5.000 4.157 3.852 4.360 . 0 0 "[ . 1 . 2 .]" 3
833 1 97 LYS HA 1 98 GLU H 5.000 . 5.000 3.609 3.597 3.620 . 0 0 "[ . 1 . 2 .]" 3
834 1 97 LYS HA 1 99 LEU H 5.000 . 5.000 4.672 4.602 4.750 . 0 0 "[ . 1 . 2 .]" 3
835 1 97 LYS HA 1 100 SER H 3.500 . 3.500 3.548 3.531 3.567 0.067 7 0 "[ . 1 . 2 .]" 3
836 1 97 LYS HA 1 100 SER QB 3.500 . 3.500 2.918 2.697 3.229 . 0 0 "[ . 1 . 2 .]" 3
837 1 97 LYS QB 1 100 SER QB 5.000 . 5.000 4.612 4.327 5.004 0.004 8 0 "[ . 1 . 2 .]" 3
838 1 97 LYS QD 1 100 SER QB 5.000 . 5.000 4.216 3.604 5.019 0.019 18 0 "[ . 1 . 2 .]" 3
839 1 97 LYS HA 1 101 THR H 5.000 . 5.000 4.218 3.934 4.466 . 0 0 "[ . 1 . 2 .]" 3
840 1 98 GLU H 1 98 GLU HA 2.800 . 2.800 2.878 2.870 2.892 0.092 7 0 "[ . 1 . 2 .]" 3
841 1 98 GLU H 1 99 LEU H 2.800 . 2.800 2.728 2.660 2.768 . 0 0 "[ . 1 . 2 .]" 3
842 1 98 GLU HA 1 99 LEU H 3.500 . 3.500 3.590 3.585 3.594 0.094 17 0 "[ . 1 . 2 .]" 3
843 1 98 GLU QB 1 99 LEU H 3.500 . 3.500 2.529 2.469 2.575 . 0 0 "[ . 1 . 2 .]" 3
844 1 98 GLU H 1 100 SER H 5.000 . 5.000 4.131 4.039 4.189 . 0 0 "[ . 1 . 2 .]" 3
845 1 98 GLU HA 1 100 SER H 5.000 . 5.000 4.272 4.212 4.349 . 0 0 "[ . 1 . 2 .]" 3
846 1 98 GLU HA 1 101 THR H 3.500 . 3.500 3.472 3.301 3.525 0.025 16 0 "[ . 1 . 2 .]" 3
847 1 98 GLU HA 1 101 THR HB 3.500 . 3.500 3.035 2.715 3.438 . 0 0 "[ . 1 . 2 .]" 3
848 1 99 LEU HA 1 99 LEU HB2 2.800 . 2.800 2.571 2.508 2.630 . 0 0 "[ . 1 . 2 .]" 3
849 1 99 LEU H 1 99 LEU HB3 2.800 . 2.800 2.727 2.602 2.831 0.031 6 0 "[ . 1 . 2 .]" 3
850 1 99 LEU H 1 99 LEU HB2 2.800 . 2.800 2.321 2.221 2.435 . 0 0 "[ . 1 . 2 .]" 3
851 1 99 LEU H 1 99 LEU HG 5.000 . 5.000 4.316 4.236 4.388 . 0 0 "[ . 1 . 2 .]" 3
852 1 99 LEU H 1 99 LEU QD 5.000 . 5.000 3.701 3.659 3.734 . 0 0 "[ . 1 . 2 .]" 3
853 1 99 LEU H 1 100 SER H 2.800 . 2.800 2.811 2.774 2.846 0.046 10 0 "[ . 1 . 2 .]" 3
854 1 99 LEU H 1 101 THR H 5.000 . 5.000 4.495 4.324 4.575 . 0 0 "[ . 1 . 2 .]" 3
855 1 99 LEU HA 1 101 THR H 5.000 . 5.000 4.777 4.649 4.852 . 0 0 "[ . 1 . 2 .]" 3
856 1 99 LEU HA 1 102 ILE H 3.500 . 3.500 3.528 3.467 3.555 0.055 17 0 "[ . 1 . 2 .]" 3
857 1 99 LEU HA 1 102 ILE HB 3.500 . 3.500 2.336 2.208 2.546 . 0 0 "[ . 1 . 2 .]" 3
858 1 99 LEU QD 1 102 ILE H 5.000 . 5.000 4.889 4.743 4.944 . 0 0 "[ . 1 . 2 .]" 3
859 1 99 LEU QB 1 102 ILE H 5.000 . 5.000 5.010 4.996 5.025 0.025 7 0 "[ . 1 . 2 .]" 3
860 1 100 SER H 1 101 THR H 2.800 . 2.800 2.718 2.567 2.779 . 0 0 "[ . 1 . 2 .]" 3
861 1 100 SER H 1 102 ILE H 5.000 . 5.000 3.972 3.914 4.013 . 0 0 "[ . 1 . 2 .]" 3
862 1 100 SER HA 1 102 ILE H 5.000 . 5.000 4.492 4.422 4.571 . 0 0 "[ . 1 . 2 .]" 3
863 1 100 SER HA 1 103 MET H 3.500 . 3.500 3.547 3.539 3.556 0.056 13 0 "[ . 1 . 2 .]" 3
864 1 100 SER HA 1 103 MET QB 3.500 . 3.500 2.998 2.831 3.298 . 0 0 "[ . 1 . 2 .]" 3
865 1 100 SER QB 1 103 MET H 5.000 . 5.000 4.939 4.835 5.003 0.003 12 0 "[ . 1 . 2 .]" 3
866 1 101 THR H 1 101 THR HB 3.500 . 3.500 2.722 2.515 3.001 . 0 0 "[ . 1 . 2 .]" 3
867 1 101 THR H 1 101 THR HG1 3.500 . 3.500 2.793 2.319 2.975 . 0 0 "[ . 1 . 2 .]" 3
868 1 101 THR H 1 102 ILE H 2.800 . 2.800 2.692 2.650 2.744 . 0 0 "[ . 1 . 2 .]" 3
869 1 101 THR HA 1 102 ILE H 3.500 . 3.500 3.581 3.577 3.583 0.083 22 0 "[ . 1 . 2 .]" 3
870 1 101 THR HB 1 102 ILE H 3.500 . 3.500 2.623 2.565 2.731 . 0 0 "[ . 1 . 2 .]" 3
871 1 101 THR H 1 103 MET H 5.000 . 5.000 4.205 4.124 4.291 . 0 0 "[ . 1 . 2 .]" 3
872 1 101 THR HA 1 103 MET H 5.000 . 5.000 4.215 4.170 4.276 . 0 0 "[ . 1 . 2 .]" 3
873 1 101 THR HA 1 104 ASP H 3.500 . 3.500 3.455 3.384 3.502 0.002 17 0 "[ . 1 . 2 .]" 3
874 1 101 THR HA 1 104 ASP QB 3.500 . 3.500 3.510 3.432 3.525 0.025 2 0 "[ . 1 . 2 .]" 3
875 1 101 THR HG1 1 104 ASP QB 5.000 . 5.000 4.132 3.996 4.380 . 0 0 "[ . 1 . 2 .]" 3
876 1 102 ILE H 1 102 ILE MD 3.500 . 3.500 3.404 3.316 3.503 0.003 8 0 "[ . 1 . 2 .]" 3
877 1 102 ILE HA 1 102 ILE MG 3.500 . 3.500 2.471 2.414 2.537 . 0 0 "[ . 1 . 2 .]" 3
878 1 102 ILE HB 1 102 ILE MD 3.500 . 3.500 2.274 2.124 2.408 . 0 0 "[ . 1 . 2 .]" 3
879 1 102 ILE H 1 103 MET H 2.800 . 2.800 2.778 2.752 2.806 0.006 25 0 "[ . 1 . 2 .]" 3
880 1 102 ILE HA 1 103 MET H 3.500 . 3.500 3.581 3.577 3.584 0.084 2 0 "[ . 1 . 2 .]" 3
881 1 102 ILE HB 1 103 MET H 5.000 . 5.000 2.805 2.715 2.881 . 0 0 "[ . 1 . 2 .]" 3
882 1 102 ILE H 1 104 ASP H 5.000 . 5.000 4.345 4.319 4.383 . 0 0 "[ . 1 . 2 .]" 3
883 1 102 ILE MG 1 105 GLU QB 5.000 . 5.000 3.604 3.425 3.946 . 0 0 "[ . 1 . 2 .]" 3
884 1 102 ILE QG 1 109 TRP HD1 3.500 . 3.500 2.220 2.181 2.278 . 0 0 "[ . 1 . 2 .]" 3
885 1 102 ILE MG 1 109 TRP HD1 2.800 . 2.800 2.769 2.650 2.832 0.032 2 0 "[ . 1 . 2 .]" 3
886 1 102 ILE QG 1 109 TRP HE1 3.500 . 3.500 2.415 2.323 2.489 . 0 0 "[ . 1 . 2 .]" 3
887 1 102 ILE MG 1 109 TRP HE1 3.500 . 3.500 2.715 2.643 2.790 . 0 0 "[ . 1 . 2 .]" 3
888 1 102 ILE MG 1 109 TRP HE3 3.500 . 3.500 3.608 3.562 3.657 0.157 21 0 "[ . 1 . 2 .]" 3
889 1 102 ILE MG 1 109 TRP HZ2 3.500 . 3.500 3.506 3.373 3.626 0.126 11 0 "[ . 1 . 2 .]" 3
890 1 102 ILE MD 1 109 TRP HD1 3.500 . 3.500 3.582 3.528 3.656 0.156 10 0 "[ . 1 . 2 .]" 3
891 1 102 ILE MD 1 109 TRP HE1 2.800 . 2.800 2.085 2.051 2.116 . 0 0 "[ . 1 . 2 .]" 3
892 1 102 ILE MD 1 109 TRP HZ2 3.500 . 3.500 3.146 2.927 3.303 . 0 0 "[ . 1 . 2 .]" 3
893 1 102 ILE MD 1 112 TYR HH 3.500 . 3.500 3.438 3.139 3.581 0.081 10 0 "[ . 1 . 2 .]" 3
894 1 103 MET H 1 103 MET QB 3.500 . 3.500 2.210 2.072 2.384 . 0 0 "[ . 1 . 2 .]" 3
895 1 103 MET H 1 103 MET QG 5.000 . 5.000 3.216 2.298 4.011 . 0 0 "[ . 1 . 2 .]" 3
896 1 103 MET H 1 104 ASP H 2.800 . 2.800 2.786 2.701 2.818 0.018 11 0 "[ . 1 . 2 .]" 3
897 1 103 MET HA 1 104 ASP H 3.500 . 3.500 3.580 3.576 3.584 0.084 10 0 "[ . 1 . 2 .]" 3
898 1 103 MET QB 1 104 ASP H 5.000 . 5.000 2.678 2.600 2.757 . 0 0 "[ . 1 . 2 .]" 3
899 1 103 MET QG 1 104 ASP H 5.000 . 5.000 4.181 3.726 4.610 . 0 0 "[ . 1 . 2 .]" 3
900 1 104 ASP H 1 104 ASP QB 3.500 . 3.500 2.334 2.241 2.386 . 0 0 "[ . 1 . 2 .]" 3
901 1 104 ASP H 1 105 GLU H 3.500 . 3.500 3.494 3.454 3.515 0.015 19 0 "[ . 1 . 2 .]" 3
902 1 104 ASP HA 1 105 GLU H 2.800 . 2.800 2.599 2.585 2.619 . 0 0 "[ . 1 . 2 .]" 3
903 1 104 ASP QB 1 105 GLU H 5.000 . 5.000 4.010 3.955 4.075 . 0 0 "[ . 1 . 2 .]" 3
904 1 104 ASP HA 1 106 ASN H 3.500 . 3.500 3.569 3.555 3.608 0.108 14 0 "[ . 1 . 2 .]" 3
905 1 104 ASP HA 1 107 ASN H 5.000 . 5.000 4.220 3.982 4.331 . 0 0 "[ . 1 . 2 .]" 3
906 1 105 GLU H 1 105 GLU QB 3.500 . 3.500 2.295 2.167 2.378 . 0 0 "[ . 1 . 2 .]" 3
907 1 105 GLU H 1 106 ASN H 3.500 . 3.500 3.027 2.928 3.180 . 0 0 "[ . 1 . 2 .]" 3
908 1 105 GLU HA 1 106 ASN H 2.800 . 2.800 2.853 2.811 2.871 0.071 24 0 "[ . 1 . 2 .]" 3
909 1 105 GLU HA 1 107 ASN H 5.000 . 5.000 4.708 4.680 4.729 . 0 0 "[ . 1 . 2 .]" 3
910 1 106 ASN H 1 106 ASN QB 3.500 . 3.500 2.978 2.860 3.335 . 0 0 "[ . 1 . 2 .]" 3
911 1 106 ASN H 1 107 ASN H 2.800 . 2.800 2.832 2.812 2.848 0.048 19 0 "[ . 1 . 2 .]" 3
912 1 106 ASN HA 1 107 ASN H 3.500 . 3.500 2.935 2.911 2.951 . 0 0 "[ . 1 . 2 .]" 3
913 1 106 ASN QB 1 107 ASN H 5.000 . 5.000 3.866 3.855 3.891 . 0 0 "[ . 1 . 2 .]" 3
914 1 106 ASN HA 1 108 GLN H 5.000 . 5.000 4.872 4.746 4.997 . 0 0 "[ . 1 . 2 .]" 3
915 1 107 ASN H 1 107 ASN QB 3.500 . 3.500 2.978 2.783 3.260 . 0 0 "[ . 1 . 2 .]" 3
916 1 107 ASN H 1 108 GLN H 3.500 . 3.500 2.962 2.932 3.009 . 0 0 "[ . 1 . 2 .]" 3
917 1 107 ASN HA 1 108 GLN H 2.800 . 2.800 2.867 2.819 2.913 0.113 12 0 "[ . 1 . 2 .]" 3
918 1 107 ASN QB 1 108 GLN H 5.000 . 5.000 3.899 3.859 3.965 . 0 0 "[ . 1 . 2 .]" 3
919 1 108 GLN H 1 108 GLN QB 3.500 . 3.500 2.693 2.572 3.166 . 0 0 "[ . 1 . 2 .]" 3
920 1 108 GLN H 1 108 GLN QG 5.000 . 5.000 3.463 2.647 3.941 . 0 0 "[ . 1 . 2 .]" 3
921 1 108 GLN H 1 109 TRP H 3.500 . 3.500 2.569 2.346 2.837 . 0 0 "[ . 1 . 2 .]" 3
922 1 108 GLN HA 1 109 TRP H 2.800 . 2.800 2.818 2.725 2.850 0.050 7 0 "[ . 1 . 2 .]" 3
923 1 109 TRP HA 1 109 TRP HB2 2.800 . 2.800 2.400 2.383 2.417 . 0 0 "[ . 1 . 2 .]" 3
924 1 109 TRP H 1 109 TRP HB3 2.800 . 2.800 2.262 2.214 2.300 . 0 0 "[ . 1 . 2 .]" 3
925 1 109 TRP H 1 109 TRP HB2 2.800 . 2.800 2.839 2.795 2.907 0.107 24 0 "[ . 1 . 2 .]" 3
926 1 109 TRP HA 1 110 TYR H 2.300 . 2.300 2.248 2.235 2.266 . 0 0 "[ . 1 . 2 .]" 3
927 1 109 TRP HA 1 110 TYR QD 5.000 . 5.000 4.667 4.186 4.821 . 0 0 "[ . 1 . 2 .]" 3
928 1 109 TRP QB 1 110 TYR H 5.000 . 5.000 3.904 3.791 4.028 . 0 0 "[ . 1 . 2 .]" 3
929 1 109 TRP HD1 1 110 TYR H 5.000 . 5.000 3.650 3.317 4.075 . 0 0 "[ . 1 . 2 .]" 3
930 1 109 TRP HZ2 1 112 TYR QE 3.500 . 3.500 3.486 3.370 3.542 0.042 1 0 "[ . 1 . 2 .]" 3
931 1 109 TRP HH2 1 112 TYR QE 3.500 . 3.500 3.512 3.368 3.562 0.062 3 0 "[ . 1 . 2 .]" 3
932 1 110 TYR HA 1 110 TYR HB3 2.800 . 2.800 2.746 2.733 2.758 . 0 0 "[ . 1 . 2 .]" 3
933 1 110 TYR HA 1 110 TYR QE 5.000 . 5.000 4.265 4.235 4.404 . 0 0 "[ . 1 . 2 .]" 3
934 1 110 TYR H 1 110 TYR HB2 2.800 . 2.800 2.117 2.107 2.125 . 0 0 "[ . 1 . 2 .]" 3
935 1 110 TYR H 1 110 TYR QD 5.000 . 5.000 3.103 2.556 3.237 . 0 0 "[ . 1 . 2 .]" 3
936 1 110 TYR H 1 111 CYS H 5.000 . 5.000 4.604 4.565 4.655 . 0 0 "[ . 1 . 2 .]" 3
937 1 110 TYR HA 1 111 CYS H 2.800 . 2.800 2.743 2.709 2.779 . 0 0 "[ . 1 . 2 .]" 3
938 1 110 TYR QD 1 113 ILE H 5.000 . 5.000 5.087 5.071 5.144 0.144 24 0 "[ . 1 . 2 .]" 3
939 1 110 TYR QD 1 114 CYS H 5.000 . 5.000 4.135 4.114 4.310 . 0 0 "[ . 1 . 2 .]" 3
940 1 110 TYR QD 1 114 CYS HA 5.000 . 5.000 4.625 4.563 4.636 . 0 0 "[ . 1 . 2 .]" 3
941 1 110 TYR QD 1 114 CYS HB3 2.300 . 2.300 2.418 2.265 2.430 0.130 23 0 "[ . 1 . 2 .]" 3
942 1 110 TYR QD 1 114 CYS HB2 2.800 . 2.800 1.991 1.944 1.998 . 0 0 "[ . 1 . 2 .]" 3
943 1 110 TYR QE 1 114 CYS HA 5.000 . 5.000 4.455 4.409 4.497 . 0 0 "[ . 1 . 2 .]" 3
944 1 110 TYR QE 1 114 CYS HB3 3.500 . 3.500 2.171 2.113 2.217 . 0 0 "[ . 1 . 2 .]" 3
945 1 110 TYR QE 1 114 CYS HB2 5.000 . 5.000 3.369 3.332 3.420 . 0 0 "[ . 1 . 2 .]" 3
946 1 110 TYR HA 1 115 HIS HD2 5.000 . 5.000 5.064 5.036 5.232 0.232 24 0 "[ . 1 . 2 .]" 3
947 1 110 TYR QB 1 115 HIS HD2 3.500 . 3.500 2.849 2.781 2.937 . 0 0 "[ . 1 . 2 .]" 3
948 1 110 TYR QD 1 115 HIS HE1 3.500 . 3.500 3.499 3.445 3.534 0.034 24 0 "[ . 1 . 2 .]" 3
949 1 110 TYR QE 1 115 HIS HD2 5.000 . 5.000 4.582 4.533 4.641 . 0 0 "[ . 1 . 2 .]" 3
950 1 110 TYR QE 1 115 HIS HE1 3.500 . 3.500 3.546 3.531 3.689 0.189 24 0 "[ . 1 . 2 .]" 3
951 1 111 CYS H 1 117 GLU QB 5.000 . 5.000 5.073 5.032 5.110 0.110 3 0 "[ . 1 . 2 .]" 3
952 1 112 TYR QB 1 113 ILE H 5.000 . 5.000 3.887 3.875 3.902 . 0 0 "[ . 1 . 2 .]" 3
953 1 112 TYR HA 1 116 PRO HA 3.500 . 3.500 2.845 2.777 2.983 . 0 0 "[ . 1 . 2 .]" 3
954 1 112 TYR QB 1 116 PRO HA 3.500 . 3.500 3.668 3.636 3.693 0.193 23 0 "[ . 1 . 2 .]" 3
955 1 112 TYR QE 1 118 PRO QB 3.500 . 3.500 3.235 3.006 3.441 . 0 0 "[ . 1 . 2 .]" 3
956 1 112 TYR HA 1 119 LEU QD 3.500 . 3.500 2.580 2.479 2.703 . 0 0 "[ . 1 . 2 .]" 3
957 1 112 TYR QB 1 119 LEU QD 2.800 . 2.800 1.879 1.813 1.993 . 0 0 "[ . 1 . 2 .]" 3
958 1 112 TYR QE 1 119 LEU QD 5.000 . 5.000 3.457 3.239 3.555 . 0 0 "[ . 1 . 2 .]" 3
959 1 113 ILE HA 1 113 ILE MG 3.500 . 3.500 2.184 2.078 2.285 . 0 0 "[ . 1 . 2 .]" 3
960 1 113 ILE H 1 113 ILE QG 5.000 . 5.000 2.537 2.505 2.569 . 0 0 "[ . 1 . 2 .]" 3
961 1 113 ILE H 1 113 ILE MD 5.000 . 5.000 3.316 3.283 3.360 . 0 0 "[ . 1 . 2 .]" 3
962 1 113 ILE H 1 114 CYS H 3.500 . 3.500 2.195 2.178 2.202 . 0 0 "[ . 1 . 2 .]" 3
963 1 113 ILE HA 1 114 CYS H 3.500 . 3.500 3.601 3.598 3.603 0.103 22 0 "[ . 1 . 2 .]" 3
964 1 113 ILE HB 1 114 CYS H 2.800 . 2.800 2.127 2.117 2.140 . 0 0 "[ . 1 . 2 .]" 3
965 1 113 ILE H 1 115 HIS H 5.000 . 5.000 2.826 2.789 2.848 . 0 0 "[ . 1 . 2 .]" 3
966 1 114 CYS H 1 114 CYS HB3 3.500 . 3.500 3.547 3.544 3.556 0.056 24 0 "[ . 1 . 2 .]" 3
967 1 114 CYS H 1 114 CYS HB2 2.800 . 2.800 2.382 2.374 2.414 . 0 0 "[ . 1 . 2 .]" 3
968 1 114 CYS HA 1 114 CYS HB3 2.800 . 2.800 2.583 2.558 2.588 . 0 0 "[ . 1 . 2 .]" 3
969 1 114 CYS H 1 115 HIS H 3.500 . 3.500 2.828 2.811 2.839 . 0 0 "[ . 1 . 2 .]" 3
970 1 114 CYS HA 1 115 HIS H 5.000 . 5.000 3.585 3.582 3.594 . 0 0 "[ . 1 . 2 .]" 3
971 1 114 CYS HB3 1 115 HIS H 3.500 . 3.500 3.466 3.438 3.497 . 0 0 "[ . 1 . 2 .]" 3
972 1 114 CYS HB2 1 115 HIS H 2.800 . 2.800 2.470 2.393 2.497 . 0 0 "[ . 1 . 2 .]" 3
973 1 115 HIS H 1 115 HIS QB 3.500 . 3.500 3.385 3.345 3.400 . 0 0 "[ . 1 . 2 .]" 3
974 1 115 HIS HA 1 116 PRO QG 5.000 . 5.000 3.935 3.909 3.963 . 0 0 "[ . 1 . 2 .]" 3
975 1 115 HIS HA 1 116 PRO QD 2.800 . 2.800 2.039 2.013 2.066 . 0 0 "[ . 1 . 2 .]" 3
976 1 115 HIS HD2 1 116 PRO QD 5.000 . 5.000 4.923 4.914 4.927 . 0 0 "[ . 1 . 2 .]" 3
977 1 116 PRO HA 1 117 GLU H 5.000 . 5.000 2.365 2.317 2.405 . 0 0 "[ . 1 . 2 .]" 3
978 1 116 PRO QB 1 117 GLU H 5.000 . 5.000 3.851 3.770 3.900 . 0 0 "[ . 1 . 2 .]" 3
979 1 116 PRO QG 1 117 GLU H 5.000 . 5.000 4.760 4.735 4.785 . 0 0 "[ . 1 . 2 .]" 3
980 1 116 PRO QD 1 117 GLU H 5.000 . 5.000 4.698 4.621 4.802 . 0 0 "[ . 1 . 2 .]" 3
981 1 116 PRO HA 1 119 LEU QD 3.500 . 3.500 1.858 1.823 2.073 . 0 0 "[ . 1 . 2 .]" 3
982 1 116 PRO QB 1 119 LEU QD 3.500 . 3.500 2.083 1.878 2.352 . 0 0 "[ . 1 . 2 .]" 3
983 1 117 GLU H 1 118 PRO HA 5.000 . 5.000 5.109 5.062 5.146 0.146 16 0 "[ . 1 . 2 .]" 3
984 1 117 GLU H 1 118 PRO QD 5.000 . 5.000 2.026 2.014 2.047 . 0 0 "[ . 1 . 2 .]" 3
985 1 117 GLU H 1 120 LEU QD 5.000 . 5.000 4.723 4.230 5.027 0.027 8 0 "[ . 1 . 2 .]" 3
986 1 117 GLU HA 1 120 LEU QD 3.500 . 3.500 3.012 2.772 3.503 0.003 13 0 "[ . 1 . 2 .]" 3
987 1 118 PRO HA 1 119 LEU H 3.500 . 3.500 3.253 3.179 3.328 . 0 0 "[ . 1 . 2 .]" 3
988 1 118 PRO HA 1 120 LEU QD 5.000 . 5.000 3.852 3.636 4.833 . 0 0 "[ . 1 . 2 .]" 3
989 1 118 PRO HA 1 120 LEU QB 5.000 . 5.000 4.991 4.917 5.032 0.032 22 0 "[ . 1 . 2 .]" 3
990 1 119 LEU H 1 119 LEU QD 3.500 . 3.500 2.505 2.043 2.777 . 0 0 "[ . 1 . 2 .]" 3
991 1 119 LEU HA 1 119 LEU HB3 2.800 . 2.800 2.526 2.489 2.560 . 0 0 "[ . 1 . 2 .]" 3
992 1 119 LEU HA 1 119 LEU HB2 2.800 . 2.800 2.405 2.378 2.433 . 0 0 "[ . 1 . 2 .]" 3
993 1 119 LEU HA 1 119 LEU QD 3.500 . 3.500 3.402 3.378 3.424 . 0 0 "[ . 1 . 2 .]" 3
994 1 119 LEU H 1 119 LEU HB3 2.800 . 2.800 2.906 2.863 2.961 0.161 1 0 "[ . 1 . 2 .]" 3
995 1 119 LEU H 1 119 LEU HG 5.000 . 5.000 2.440 2.159 2.981 . 0 0 "[ . 1 . 2 .]" 3
996 1 119 LEU H 1 120 LEU H 2.800 . 2.800 2.598 2.546 2.661 . 0 0 "[ . 1 . 2 .]" 3
997 1 119 LEU HA 1 120 LEU H 3.500 . 3.500 3.008 2.964 3.043 . 0 0 "[ . 1 . 2 .]" 3
998 1 119 LEU QB 1 120 LEU H 5.000 . 5.000 4.101 4.095 4.106 . 0 0 "[ . 1 . 2 .]" 3
999 1 119 LEU QD 1 120 LEU H 5.000 . 5.000 4.038 3.866 4.147 . 0 0 "[ . 1 . 2 .]" 3
1000 1 119 LEU QD 1 120 LEU QD 5.000 . 5.000 4.030 3.388 4.449 . 0 0 "[ . 1 . 2 .]" 3
1001 1 119 LEU H 1 121 ASP H 5.000 . 5.000 5.051 5.024 5.068 0.068 16 0 "[ . 1 . 2 .]" 3
1002 1 119 LEU HA 1 121 ASP H 5.000 . 5.000 3.617 3.556 3.702 . 0 0 "[ . 1 . 2 .]" 3
1003 1 119 LEU HA 1 122 LEU H 3.500 . 3.500 3.326 3.187 3.422 . 0 0 "[ . 1 . 2 .]" 3
1004 1 119 LEU HA 1 122 LEU QB 3.500 . 3.500 3.279 2.995 3.425 . 0 0 "[ . 1 . 2 .]" 3
1005 1 119 LEU QD 1 122 LEU HA 5.000 . 5.000 4.751 4.473 5.040 0.040 24 0 "[ . 1 . 2 .]" 3
1006 1 119 LEU QD 1 122 LEU HG 5.000 . 5.000 4.491 4.227 4.827 . 0 0 "[ . 1 . 2 .]" 3
1007 1 119 LEU QD 1 122 LEU QD 2.800 . 2.800 2.786 2.544 2.852 0.052 6 0 "[ . 1 . 2 .]" 3
1008 1 119 LEU QD 1 123 VAL QG 5.000 . 5.000 1.934 1.732 2.462 . 0 0 "[ . 1 . 2 .]" 3
1009 1 119 LEU HA 1 123 VAL H 5.000 . 5.000 4.913 4.751 5.002 0.002 4 0 "[ . 1 . 2 .]" 3
1010 1 120 LEU HA 1 120 LEU QD 3.500 . 3.500 2.751 1.894 2.903 . 0 0 "[ . 1 . 2 .]" 3
1011 1 120 LEU H 1 120 LEU QB 3.500 . 3.500 2.134 2.054 2.175 . 0 0 "[ . 1 . 2 .]" 3
1012 1 120 LEU H 1 120 LEU QD 5.000 . 5.000 2.415 2.111 2.946 . 0 0 "[ . 1 . 2 .]" 3
1013 1 120 LEU H 1 121 ASP H 2.800 . 2.800 2.775 2.734 2.803 0.003 24 0 "[ . 1 . 2 .]" 3
1014 1 120 LEU HA 1 121 ASP H 3.500 . 3.500 3.577 3.574 3.580 0.080 7 0 "[ . 1 . 2 .]" 3
1015 1 120 LEU QB 1 121 ASP H 5.000 . 5.000 2.698 2.652 2.727 . 0 0 "[ . 1 . 2 .]" 3
1016 1 120 LEU QD 1 121 ASP H 5.000 . 5.000 4.024 3.860 4.134 . 0 0 "[ . 1 . 2 .]" 3
1017 1 120 LEU HA 1 122 LEU H 5.000 . 5.000 4.364 4.285 4.418 . 0 0 "[ . 1 . 2 .]" 3
1018 1 120 LEU HA 1 123 VAL H 3.500 . 3.500 3.512 3.454 3.536 0.036 16 0 "[ . 1 . 2 .]" 3
1019 1 120 LEU HA 1 123 VAL HB 3.500 . 3.500 2.991 2.861 3.148 . 0 0 "[ . 1 . 2 .]" 3
1020 1 120 LEU HA 1 123 VAL QG 5.000 . 5.000 3.072 2.952 3.241 . 0 0 "[ . 1 . 2 .]" 3
1021 1 120 LEU QB 1 123 VAL H 5.000 . 5.000 5.012 4.987 5.029 0.029 13 0 "[ . 1 . 2 .]" 3
1022 1 120 LEU QD 1 124 THR MG 5.000 . 5.000 4.984 4.689 5.018 0.018 17 0 "[ . 1 . 2 .]" 3
1023 1 120 LEU HA 1 124 THR H 5.000 . 5.000 4.026 3.715 4.239 . 0 0 "[ . 1 . 2 .]" 3
1024 1 121 ASP H 1 121 ASP QB 3.500 . 3.500 2.237 2.117 2.494 . 0 0 "[ . 1 . 2 .]" 3
1025 1 121 ASP H 1 122 LEU H 2.800 . 2.800 2.735 2.686 2.770 . 0 0 "[ . 1 . 2 .]" 3
1026 1 121 ASP HA 1 122 LEU H 3.500 . 3.500 3.578 3.573 3.581 0.081 14 0 "[ . 1 . 2 .]" 3
1027 1 121 ASP QB 1 122 LEU H 5.000 . 5.000 2.707 2.529 3.470 . 0 0 "[ . 1 . 2 .]" 3
1028 1 121 ASP HA 1 123 VAL H 5.000 . 5.000 4.613 4.457 4.710 . 0 0 "[ . 1 . 2 .]" 3
1029 1 121 ASP H 1 123 VAL H 5.000 . 5.000 4.385 4.326 4.457 . 0 0 "[ . 1 . 2 .]" 3
1030 1 121 ASP HA 1 124 THR H 3.500 . 3.500 3.477 3.380 3.516 0.016 17 0 "[ . 1 . 2 .]" 3
1031 1 121 ASP HA 1 124 THR HB 3.500 . 3.500 2.802 2.358 3.125 . 0 0 "[ . 1 . 2 .]" 3
1032 1 121 ASP HA 1 124 THR MG 5.000 . 5.000 3.892 3.661 4.003 . 0 0 "[ . 1 . 2 .]" 3
1033 1 121 ASP QB 1 124 THR H 5.000 . 5.000 4.967 4.849 5.016 0.016 11 0 "[ . 1 . 2 .]" 3
1034 1 121 ASP HA 1 125 ALA MB 5.000 . 5.000 4.804 4.405 5.016 0.016 6 0 "[ . 1 . 2 .]" 3
1035 1 121 ASP HA 1 125 ALA H 5.000 . 5.000 4.136 3.857 4.355 . 0 0 "[ . 1 . 2 .]" 3
1036 1 122 LEU HA 1 122 LEU QD 3.500 . 3.500 2.128 1.944 2.489 . 0 0 "[ . 1 . 2 .]" 3
1037 1 122 LEU H 1 122 LEU HG 5.000 . 5.000 4.077 3.038 4.499 . 0 0 "[ . 1 . 2 .]" 3
1038 1 122 LEU H 1 123 VAL H 2.800 . 2.800 2.762 2.663 2.804 0.004 8 0 "[ . 1 . 2 .]" 3
1039 1 122 LEU HA 1 123 VAL H 3.500 . 3.500 3.591 3.584 3.596 0.096 7 0 "[ . 1 . 2 .]" 3
1040 1 122 LEU HA 1 124 THR H 5.000 . 5.000 4.536 4.452 4.610 . 0 0 "[ . 1 . 2 .]" 3
1041 1 122 LEU H 1 124 THR H 5.000 . 5.000 4.114 4.013 4.182 . 0 0 "[ . 1 . 2 .]" 3
1042 1 122 LEU HA 1 125 ALA H 3.500 . 3.500 3.557 3.534 3.594 0.094 10 0 "[ . 1 . 2 .]" 3
1043 1 122 LEU HA 1 125 ALA MB 3.500 . 3.500 2.894 2.743 3.029 . 0 0 "[ . 1 . 2 .]" 3
1044 1 122 LEU QB 1 125 ALA H 5.000 . 5.000 4.965 4.912 5.004 0.004 25 0 "[ . 1 . 2 .]" 3
1045 1 122 LEU QD 1 125 ALA MB 5.000 . 5.000 3.617 3.044 4.104 . 0 0 "[ . 1 . 2 .]" 3
1046 1 122 LEU HA 1 126 CYS H 5.000 . 5.000 4.507 4.341 4.599 . 0 0 "[ . 1 . 2 .]" 3
1047 1 123 VAL H 1 123 VAL HB 3.500 . 3.500 2.497 2.469 2.514 . 0 0 "[ . 1 . 2 .]" 3
1048 1 123 VAL H 1 123 VAL QG 3.500 . 3.500 2.123 2.096 2.210 . 0 0 "[ . 1 . 2 .]" 3
1049 1 123 VAL H 1 124 THR H 2.800 . 2.800 2.678 2.607 2.742 . 0 0 "[ . 1 . 2 .]" 3
1050 1 123 VAL HA 1 124 THR H 3.500 . 3.500 3.585 3.583 3.588 0.088 25 0 "[ . 1 . 2 .]" 3
1051 1 123 VAL HB 1 124 THR H 3.500 . 3.500 2.591 2.523 2.633 . 0 0 "[ . 1 . 2 .]" 3
1052 1 123 VAL QG 1 124 THR H 3.500 . 3.500 3.239 3.209 3.268 . 0 0 "[ . 1 . 2 .]" 3
1053 1 123 VAL H 1 125 ALA H 5.000 . 5.000 4.200 4.099 4.293 . 0 0 "[ . 1 . 2 .]" 3
1054 1 123 VAL HA 1 125 ALA H 5.000 . 5.000 4.322 4.257 4.388 . 0 0 "[ . 1 . 2 .]" 3
1055 1 123 VAL HA 1 126 CYS H 3.500 . 3.500 3.261 3.191 3.306 . 0 0 "[ . 1 . 2 .]" 3
1056 1 123 VAL HA 1 126 CYS QB 3.500 . 3.500 2.616 2.537 2.726 . 0 0 "[ . 1 . 2 .]" 3
1057 1 123 VAL QG 1 126 CYS H 5.000 . 5.000 4.159 4.080 4.214 . 0 0 "[ . 1 . 2 .]" 3
1058 1 123 VAL HA 1 127 ASN H 5.000 . 5.000 4.493 4.412 4.575 . 0 0 "[ . 1 . 2 .]" 3
1059 1 123 VAL QG 1 127 ASN H 5.000 . 5.000 4.034 3.946 4.126 . 0 0 "[ . 1 . 2 .]" 3
1060 1 123 VAL QG 1 127 ASN QB 5.000 . 5.000 4.478 4.271 4.630 . 0 0 "[ . 1 . 2 .]" 3
1061 1 123 VAL QG 1 127 ASN QD 5.000 . 5.000 3.372 2.336 4.323 . 0 0 "[ . 1 . 2 .]" 3
1062 1 124 THR HA 1 124 THR MG 3.500 . 3.500 2.193 2.040 2.370 . 0 0 "[ . 1 . 2 .]" 3
1063 1 124 THR H 1 124 THR HB 3.500 . 3.500 2.788 2.558 2.948 . 0 0 "[ . 1 . 2 .]" 3
1064 1 124 THR H 1 125 ALA H 2.800 . 2.800 2.789 2.753 2.812 0.012 6 0 "[ . 1 . 2 .]" 3
1065 1 124 THR HB 1 125 ALA H 3.500 . 3.500 2.611 2.562 2.687 . 0 0 "[ . 1 . 2 .]" 3
1066 1 124 THR HB 1 125 ALA MB 5.000 . 5.000 3.898 3.815 3.986 . 0 0 "[ . 1 . 2 .]" 3
1067 1 124 THR HG1 1 125 ALA H 5.000 . 5.000 3.607 3.470 3.699 . 0 0 "[ . 1 . 2 .]" 3
1068 1 124 THR H 1 126 CYS H 5.000 . 5.000 4.180 4.137 4.223 . 0 0 "[ . 1 . 2 .]" 3
1069 1 124 THR HA 1 126 CYS H 5.000 . 5.000 4.373 4.299 4.440 . 0 0 "[ . 1 . 2 .]" 3
1070 1 124 THR HA 1 127 ASN H 5.000 . 5.000 3.673 3.595 3.801 . 0 0 "[ . 1 . 2 .]" 3
1071 1 124 THR HA 1 127 ASN QB 5.000 . 5.000 3.228 3.058 3.393 . 0 0 "[ . 1 . 2 .]" 3
1072 1 124 THR MG 1 127 ASN H 5.000 . 5.000 4.843 4.766 4.997 . 0 0 "[ . 1 . 2 .]" 3
1073 1 124 THR MG 1 127 ASN QB 5.000 . 5.000 3.826 3.713 4.019 . 0 0 "[ . 1 . 2 .]" 3
1074 1 124 THR HA 1 127 ASN QD 5.000 . 5.000 3.876 2.493 5.005 0.005 6 0 "[ . 1 . 2 .]" 3
1075 1 124 THR MG 1 128 SER H 5.000 . 5.000 4.520 4.281 4.796 . 0 0 "[ . 1 . 2 .]" 3
1076 1 124 THR HA 1 128 SER H 5.000 . 5.000 4.560 4.335 4.817 . 0 0 "[ . 1 . 2 .]" 3
1077 1 125 ALA H 1 125 ALA MB 3.500 . 3.500 2.174 2.102 2.223 . 0 0 "[ . 1 . 2 .]" 3
1078 1 125 ALA H 1 126 CYS H 2.800 . 2.800 2.661 2.623 2.702 . 0 0 "[ . 1 . 2 .]" 3
1079 1 125 ALA HA 1 126 CYS H 3.500 . 3.500 3.576 3.569 3.580 0.080 2 0 "[ . 1 . 2 .]" 3
1080 1 125 ALA MB 1 126 CYS H 3.500 . 3.500 2.636 2.574 2.724 . 0 0 "[ . 1 . 2 .]" 3
1081 1 125 ALA H 1 127 ASN H 5.000 . 5.000 4.447 4.385 4.525 . 0 0 "[ . 1 . 2 .]" 3
1082 1 125 ALA MB 1 127 ASN H 5.000 . 5.000 4.711 4.651 4.766 . 0 0 "[ . 1 . 2 .]" 3
1083 1 125 ALA HA 1 127 ASN H 5.000 . 5.000 4.502 4.397 4.626 . 0 0 "[ . 1 . 2 .]" 3
1084 1 125 ALA HA 1 128 SER H 3.500 . 3.500 3.322 3.237 3.446 . 0 0 "[ . 1 . 2 .]" 3
1085 1 125 ALA HA 1 128 SER QB 3.500 . 3.500 2.551 2.344 2.864 . 0 0 "[ . 1 . 2 .]" 3
1086 1 125 ALA MB 1 128 SER H 5.000 . 5.000 4.531 4.474 4.609 . 0 0 "[ . 1 . 2 .]" 3
1087 1 125 ALA MB 1 128 SER QB 5.000 . 5.000 3.759 3.626 3.933 . 0 0 "[ . 1 . 2 .]" 3
1088 1 125 ALA MB 1 129 VAL H 5.000 . 5.000 4.519 4.386 4.779 . 0 0 "[ . 1 . 2 .]" 3
1089 1 125 ALA MB 1 129 VAL QG 5.000 . 5.000 3.222 3.060 3.513 . 0 0 "[ . 1 . 2 .]" 3
1090 1 125 ALA HA 1 129 VAL H 5.000 . 5.000 4.191 3.919 4.551 . 0 0 "[ . 1 . 2 .]" 3
1091 1 125 ALA HA 1 129 VAL QG 5.000 . 5.000 3.858 3.602 4.171 . 0 0 "[ . 1 . 2 .]" 3
1092 1 126 CYS HA 1 126 CYS HB2 2.800 . 2.800 2.493 2.478 2.509 . 0 0 "[ . 1 . 2 .]" 3
1093 1 126 CYS H 1 126 CYS HB3 2.800 . 2.800 2.530 2.495 2.573 . 0 0 "[ . 1 . 2 .]" 3
1094 1 126 CYS H 1 126 CYS HB2 2.800 . 2.800 2.468 2.443 2.488 . 0 0 "[ . 1 . 2 .]" 3
1095 1 126 CYS H 1 127 ASN H 2.800 . 2.800 2.847 2.827 2.861 0.061 15 0 "[ . 1 . 2 .]" 3
1096 1 126 CYS QB 1 127 ASN H 3.500 . 3.500 2.397 2.316 2.442 . 0 0 "[ . 1 . 2 .]" 3
1097 1 126 CYS QB 1 128 SER H 5.000 . 5.000 4.652 4.580 4.706 . 0 0 "[ . 1 . 2 .]" 3
1098 1 126 CYS HA 1 128 SER H 5.000 . 5.000 4.473 4.348 4.575 . 0 0 "[ . 1 . 2 .]" 3
1099 1 126 CYS H 1 128 SER H 5.000 . 5.000 4.173 4.093 4.248 . 0 0 "[ . 1 . 2 .]" 3
1100 1 126 CYS HA 1 129 VAL H 3.500 . 3.500 3.535 3.415 3.560 0.060 19 0 "[ . 1 . 2 .]" 3
1101 1 126 CYS HA 1 129 VAL HB 3.500 . 3.500 3.015 2.847 3.240 . 0 0 "[ . 1 . 2 .]" 3
1102 1 126 CYS HA 1 129 VAL QG 5.000 . 5.000 3.063 2.773 3.250 . 0 0 "[ . 1 . 2 .]" 3
1103 1 126 CYS HA 1 130 PHE H 5.000 . 5.000 4.214 3.977 4.449 . 0 0 "[ . 1 . 2 .]" 3
1104 1 127 ASN HA 1 127 ASN HB3 2.800 . 2.800 2.575 2.494 2.700 . 0 0 "[ . 1 . 2 .]" 3
1105 1 127 ASN H 1 127 ASN HB2 2.800 . 2.800 2.332 2.154 2.497 . 0 0 "[ . 1 . 2 .]" 3
1106 1 127 ASN H 1 128 SER H 2.800 . 2.800 2.721 2.681 2.810 0.010 10 0 "[ . 1 . 2 .]" 3
1107 1 127 ASN HA 1 128 SER H 3.500 . 3.500 3.579 3.575 3.582 0.082 23 0 "[ . 1 . 2 .]" 3
1108 1 127 ASN QB 1 128 SER H 5.000 . 5.000 2.627 2.529 2.718 . 0 0 "[ . 1 . 2 .]" 3
1109 1 127 ASN H 1 129 VAL H 5.000 . 5.000 4.242 4.165 4.305 . 0 0 "[ . 1 . 2 .]" 3
1110 1 127 ASN HA 1 129 VAL H 5.000 . 5.000 4.371 4.285 4.443 . 0 0 "[ . 1 . 2 .]" 3
1111 1 127 ASN HA 1 130 PHE H 3.500 . 3.500 3.532 3.516 3.553 0.053 21 0 "[ . 1 . 2 .]" 3
1112 1 127 ASN HA 1 130 PHE QB 3.500 . 3.500 2.834 2.756 2.931 . 0 0 "[ . 1 . 2 .]" 3
1113 1 127 ASN HA 1 130 PHE QD 5.000 . 5.000 3.376 3.025 3.936 . 0 0 "[ . 1 . 2 .]" 3
1114 1 127 ASN QB 1 130 PHE H 5.000 . 5.000 5.010 5.001 5.027 0.027 15 0 "[ . 1 . 2 .]" 3
1115 1 127 ASN HA 1 131 GLU H 5.000 . 5.000 3.694 3.497 3.973 . 0 0 "[ . 1 . 2 .]" 3
1116 1 127 ASN QB 1 131 GLU QG 5.000 . 5.000 4.947 4.725 5.028 0.028 3 0 "[ . 1 . 2 .]" 3
1117 1 128 SER H 1 129 VAL H 2.800 . 2.800 2.722 2.676 2.756 . 0 0 "[ . 1 . 2 .]" 3
1118 1 128 SER HA 1 129 VAL H 3.500 . 3.500 3.583 3.576 3.585 0.085 25 0 "[ . 1 . 2 .]" 3
1119 1 128 SER QB 1 129 VAL QG 3.500 . 3.500 3.104 2.920 3.409 . 0 0 "[ . 1 . 2 .]" 3
1120 1 128 SER QB 1 130 PHE H 5.000 . 5.000 4.873 4.793 4.980 . 0 0 "[ . 1 . 2 .]" 3
1121 1 128 SER HA 1 130 PHE H 5.000 . 5.000 4.637 4.533 4.710 . 0 0 "[ . 1 . 2 .]" 3
1122 1 128 SER H 1 130 PHE H 5.000 . 5.000 4.316 4.212 4.406 . 0 0 "[ . 1 . 2 .]" 3
1123 1 128 SER HA 1 131 GLU H 3.500 . 3.500 3.524 3.476 3.563 0.063 6 0 "[ . 1 . 2 .]" 3
1124 1 128 SER HA 1 131 GLU QB 3.500 . 3.500 2.507 2.386 2.716 . 0 0 "[ . 1 . 2 .]" 3
1125 1 128 SER QB 1 131 GLU H 5.000 . 5.000 4.966 4.910 5.027 0.027 13 0 "[ . 1 . 2 .]" 3
1126 1 128 SER HA 1 132 ASN H 5.000 . 5.000 3.829 3.559 4.167 . 0 0 "[ . 1 . 2 .]" 3
1127 1 129 VAL H 1 129 VAL QG 3.500 . 3.500 2.153 2.101 2.233 . 0 0 "[ . 1 . 2 .]" 3
1128 1 129 VAL H 1 130 PHE H 2.800 . 2.800 2.646 2.577 2.735 . 0 0 "[ . 1 . 2 .]" 3
1129 1 129 VAL HA 1 130 PHE H 3.500 . 3.500 3.587 3.583 3.597 0.097 15 0 "[ . 1 . 2 .]" 3
1130 1 129 VAL HB 1 130 PHE H 5.000 . 5.000 2.555 2.452 2.643 . 0 0 "[ . 1 . 2 .]" 3
1131 1 129 VAL QG 1 130 PHE H 5.000 . 5.000 3.194 3.115 3.236 . 0 0 "[ . 1 . 2 .]" 3
1132 1 129 VAL QG 1 130 PHE HA 3.500 . 3.500 3.521 3.451 3.544 0.044 25 0 "[ . 1 . 2 .]" 3
1133 1 129 VAL HA 1 131 GLU H 5.000 . 5.000 4.519 4.448 4.610 . 0 0 "[ . 1 . 2 .]" 3
1134 1 129 VAL H 1 131 GLU H 5.000 . 5.000 3.949 3.869 4.074 . 0 0 "[ . 1 . 2 .]" 3
1135 1 129 VAL HA 1 132 ASN H 3.500 . 3.500 3.608 3.579 3.641 0.141 10 0 "[ . 1 . 2 .]" 3
1136 1 129 VAL HA 1 132 ASN QB 3.500 . 3.500 2.953 2.705 3.196 . 0 0 "[ . 1 . 2 .]" 3
1137 1 129 VAL QG 1 133 LEU H 5.000 . 5.000 4.026 3.873 4.298 . 0 0 "[ . 1 . 2 .]" 3
1138 1 129 VAL QG 1 133 LEU QB 3.500 . 3.500 3.247 2.912 3.501 0.001 23 0 "[ . 1 . 2 .]" 3
1139 1 129 VAL QG 1 133 LEU QD 3.500 . 3.500 3.240 3.032 3.544 0.044 25 0 "[ . 1 . 2 .]" 3
1140 1 130 PHE H 1 130 PHE QB 3.500 . 3.500 2.236 2.145 2.295 . 0 0 "[ . 1 . 2 .]" 3
1141 1 130 PHE H 1 130 PHE QD 5.000 . 5.000 3.178 3.042 3.434 . 0 0 "[ . 1 . 2 .]" 3
1142 1 130 PHE H 1 131 GLU H 5.000 . 5.000 2.557 2.484 2.609 . 0 0 "[ . 1 . 2 .]" 3
1143 1 130 PHE HA 1 131 GLU H 3.500 . 3.500 3.576 3.568 3.581 0.081 1 0 "[ . 1 . 2 .]" 3
1144 1 130 PHE HA 1 132 ASN H 5.000 . 5.000 4.314 4.187 4.407 . 0 0 "[ . 1 . 2 .]" 3
1145 1 130 PHE H 1 132 ASN H 5.000 . 5.000 4.086 4.009 4.163 . 0 0 "[ . 1 . 2 .]" 3
1146 1 130 PHE HA 1 133 LEU H 3.500 . 3.500 3.244 3.131 3.456 . 0 0 "[ . 1 . 2 .]" 3
1147 1 130 PHE HA 1 133 LEU QB 3.500 . 3.500 2.357 2.253 2.548 . 0 0 "[ . 1 . 2 .]" 3
1148 1 130 PHE HA 1 133 LEU QD 5.000 . 5.000 3.152 3.026 3.301 . 0 0 "[ . 1 . 2 .]" 3
1149 1 130 PHE QD 1 133 LEU HG 5.000 . 5.000 5.024 4.971 5.073 0.073 1 0 "[ . 1 . 2 .]" 3
1150 1 130 PHE QD 1 133 LEU QD 5.000 . 5.000 2.608 2.380 2.898 . 0 0 "[ . 1 . 2 .]" 3
1151 1 130 PHE QE 1 133 LEU HG 5.000 5.000 10.000 6.041 5.713 6.164 . 0 0 "[ . 1 . 2 .]" 3
1152 1 130 PHE QE 1 133 LEU QD 5.000 . 5.000 3.109 2.946 3.257 . 0 0 "[ . 1 . 2 .]" 3
1153 1 130 PHE HZ 1 133 LEU QD 5.000 . 5.000 4.998 4.815 5.097 0.097 2 0 "[ . 1 . 2 .]" 3
1154 1 130 PHE HA 1 134 GLU H 5.000 . 5.000 3.787 3.577 4.192 . 0 0 "[ . 1 . 2 .]" 3
1155 1 131 GLU HA 1 131 GLU HB2 2.800 . 2.800 2.570 2.505 2.651 . 0 0 "[ . 1 . 2 .]" 3
1156 1 131 GLU H 1 131 GLU HB3 2.800 . 2.800 2.668 2.536 2.817 0.017 2 0 "[ . 1 . 2 .]" 3
1157 1 131 GLU H 1 131 GLU HB2 2.800 . 2.800 2.383 2.244 2.504 . 0 0 "[ . 1 . 2 .]" 3
1158 1 131 GLU H 1 131 GLU QG 5.000 . 5.000 3.983 3.893 4.070 . 0 0 "[ . 1 . 2 .]" 3
1159 1 131 GLU H 1 132 ASN H 2.800 . 2.800 2.668 2.565 2.723 . 0 0 "[ . 1 . 2 .]" 3
1160 1 131 GLU HA 1 132 ASN H 3.500 . 3.500 3.586 3.582 3.589 0.089 12 0 "[ . 1 . 2 .]" 3
1161 1 131 GLU QB 1 132 ASN H 3.500 . 3.500 2.604 2.559 2.675 . 0 0 "[ . 1 . 2 .]" 3
1162 1 131 GLU H 1 133 LEU H 5.000 . 5.000 4.066 3.890 4.185 . 0 0 "[ . 1 . 2 .]" 3
1163 1 131 GLU HA 1 133 LEU H 5.000 . 5.000 4.599 4.154 4.702 . 0 0 "[ . 1 . 2 .]" 3
1164 1 131 GLU QB 1 133 LEU H 5.000 . 5.000 4.724 4.565 4.809 . 0 0 "[ . 1 . 2 .]" 3
1165 1 131 GLU HA 1 134 GLU H 3.500 . 3.500 3.568 3.542 3.586 0.086 2 0 "[ . 1 . 2 .]" 3
1166 1 131 GLU HA 1 134 GLU QB 3.500 . 3.500 2.831 2.672 3.168 . 0 0 "[ . 1 . 2 .]" 3
1167 1 131 GLU HA 1 135 GLN H 5.000 . 5.000 4.723 4.317 5.007 0.007 13 0 "[ . 1 . 2 .]" 3
1168 1 132 ASN H 1 132 ASN QB 3.500 . 3.500 2.181 2.115 2.326 . 0 0 "[ . 1 . 2 .]" 3
1169 1 132 ASN H 1 133 LEU H 2.800 . 2.800 2.517 2.489 2.577 . 0 0 "[ . 1 . 2 .]" 3
1170 1 132 ASN HA 1 133 LEU H 3.500 . 3.500 3.580 3.536 3.586 0.086 2 0 "[ . 1 . 2 .]" 3
1171 1 132 ASN QB 1 133 LEU H 3.500 . 3.500 2.616 2.469 3.005 . 0 0 "[ . 1 . 2 .]" 3
1172 1 132 ASN H 1 134 GLU H 5.000 . 5.000 3.983 3.879 4.226 . 0 0 "[ . 1 . 2 .]" 3
1173 1 132 ASN HA 1 134 GLU H 5.000 . 5.000 4.273 4.214 4.381 . 0 0 "[ . 1 . 2 .]" 3
1174 1 132 ASN HA 1 135 GLN H 3.500 . 3.500 3.532 3.416 3.569 0.069 23 0 "[ . 1 . 2 .]" 3
1175 1 132 ASN HA 1 135 GLN QB 3.500 . 3.500 3.176 2.873 3.367 . 0 0 "[ . 1 . 2 .]" 3
1176 1 132 ASN QB 1 135 GLN H 5.000 . 5.000 4.984 4.908 5.059 0.059 13 0 "[ . 1 . 2 .]" 3
1177 1 132 ASN HA 1 136 LEU H 5.000 . 5.000 4.554 4.140 4.945 . 0 0 "[ . 1 . 2 .]" 3
1178 1 133 LEU HA 1 133 LEU HB2 2.800 . 2.800 2.623 2.503 2.813 0.013 23 0 "[ . 1 . 2 .]" 3
1179 1 133 LEU HA 1 133 LEU QD 3.500 . 3.500 2.112 1.932 2.373 . 0 0 "[ . 1 . 2 .]" 3
1180 1 133 LEU H 1 133 LEU HB3 2.800 . 2.800 2.786 2.542 3.074 0.274 23 0 "[ . 1 . 2 .]" 3
1181 1 133 LEU H 1 133 LEU HB2 2.800 . 2.800 2.273 2.074 2.486 . 0 0 "[ . 1 . 2 .]" 3
1182 1 133 LEU H 1 133 LEU HG 5.000 . 5.000 4.427 3.881 4.527 . 0 0 "[ . 1 . 2 .]" 3
1183 1 133 LEU H 1 133 LEU QD 5.000 . 5.000 3.532 3.420 3.720 . 0 0 "[ . 1 . 2 .]" 3
1184 1 133 LEU H 1 134 GLU H 2.800 . 2.800 2.713 2.517 2.793 . 0 0 "[ . 1 . 2 .]" 3
1185 1 133 LEU QB 1 134 GLU H 5.000 . 5.000 2.697 2.612 2.781 . 0 0 "[ . 1 . 2 .]" 3
1186 1 133 LEU QD 1 134 GLU H 5.000 . 5.000 4.083 3.889 4.157 . 0 0 "[ . 1 . 2 .]" 3
1187 1 133 LEU QB 1 135 GLN H 5.000 . 5.000 4.841 4.740 4.885 . 0 0 "[ . 1 . 2 .]" 3
1188 1 133 LEU HA 1 135 GLN H 5.000 . 5.000 4.336 4.183 4.508 . 0 0 "[ . 1 . 2 .]" 3
1189 1 133 LEU H 1 135 GLN H 5.000 . 5.000 4.375 4.225 4.476 . 0 0 "[ . 1 . 2 .]" 3
1190 1 133 LEU HA 1 136 LEU H 3.500 . 3.500 3.124 3.052 3.217 . 0 0 "[ . 1 . 2 .]" 3
1191 1 133 LEU HA 1 136 LEU QB 3.500 . 3.500 2.288 2.122 2.516 . 0 0 "[ . 1 . 2 .]" 3
1192 1 133 LEU QD 1 136 LEU H 5.000 . 5.000 4.366 3.519 4.618 . 0 0 "[ . 1 . 2 .]" 3
1193 1 133 LEU QD 1 137 LEU H 5.000 . 5.000 4.465 3.692 4.672 . 0 0 "[ . 1 . 2 .]" 3
1194 1 133 LEU HA 1 137 LEU H 5.000 . 5.000 4.343 4.108 4.765 . 0 0 "[ . 1 . 2 .]" 3
1195 1 134 GLU H 1 134 GLU QB 3.500 . 3.500 2.188 2.115 2.313 . 0 0 "[ . 1 . 2 .]" 3
1196 1 134 GLU H 1 135 GLN H 2.800 . 2.800 2.799 2.732 2.821 0.021 13 0 "[ . 1 . 2 .]" 3
1197 1 134 GLU HA 1 135 GLN H 3.500 . 3.500 3.585 3.583 3.587 0.087 24 0 "[ . 1 . 2 .]" 3
1198 1 134 GLU HA 1 136 LEU H 5.000 . 5.000 4.426 4.262 4.523 . 0 0 "[ . 1 . 2 .]" 3
1199 1 134 GLU H 1 136 LEU H 5.000 . 5.000 4.109 3.951 4.207 . 0 0 "[ . 1 . 2 .]" 3
1200 1 134 GLU HA 1 137 LEU H 3.500 . 3.500 3.532 3.508 3.554 0.054 21 0 "[ . 1 . 2 .]" 3
1201 1 134 GLU HA 1 137 LEU QB 3.500 . 3.500 3.071 2.954 3.250 . 0 0 "[ . 1 . 2 .]" 3
1202 1 134 GLU QB 1 137 LEU H 5.000 . 5.000 4.972 4.885 5.023 0.023 8 0 "[ . 1 . 2 .]" 3
1203 1 134 GLU HA 1 138 GLN H 5.000 . 5.000 4.955 4.413 5.035 0.035 3 0 "[ . 1 . 2 .]" 3
1204 1 135 GLN H 1 135 GLN QB 3.500 . 3.500 2.222 2.104 2.387 . 0 0 "[ . 1 . 2 .]" 3
1205 1 135 GLN H 1 135 GLN QG 5.000 . 5.000 3.338 2.244 4.052 . 0 0 "[ . 1 . 2 .]" 3
1206 1 135 GLN H 1 136 LEU H 2.800 . 2.800 2.637 2.589 2.691 . 0 0 "[ . 1 . 2 .]" 3
1207 1 135 GLN QB 1 136 LEU H 5.000 . 5.000 2.595 2.529 2.686 . 0 0 "[ . 1 . 2 .]" 3
1208 1 135 GLN HA 1 137 LEU H 5.000 . 5.000 4.253 4.181 4.318 . 0 0 "[ . 1 . 2 .]" 3
1209 1 135 GLN H 1 137 LEU H 5.000 . 5.000 4.225 4.137 4.359 . 0 0 "[ . 1 . 2 .]" 3
1210 1 135 GLN HA 1 138 GLN H 3.500 . 3.500 3.386 3.247 3.482 . 0 0 "[ . 1 . 2 .]" 3
1211 1 135 GLN HA 1 138 GLN QB 3.500 . 3.500 3.255 2.457 3.512 0.012 20 0 "[ . 1 . 2 .]" 3
1212 1 135 GLN QB 1 138 GLN H 5.000 . 5.000 4.871 4.676 5.028 0.028 12 0 "[ . 1 . 2 .]" 3
1213 1 136 LEU HA 1 136 LEU HB2 2.800 . 2.800 2.628 2.467 2.648 . 0 0 "[ . 1 . 2 .]" 3
1214 1 136 LEU HA 1 136 LEU QD 3.500 . 3.500 2.496 2.348 3.064 . 0 0 "[ . 1 . 2 .]" 3
1215 1 136 LEU H 1 136 LEU HB3 2.800 . 2.800 2.816 2.476 2.849 0.049 25 0 "[ . 1 . 2 .]" 3
1216 1 136 LEU H 1 136 LEU HB2 2.800 . 2.800 2.197 2.165 2.482 . 0 0 "[ . 1 . 2 .]" 3
1217 1 136 LEU H 1 136 LEU QD 5.000 . 5.000 3.454 3.408 3.700 . 0 0 "[ . 1 . 2 .]" 3
1218 1 136 LEU H 1 137 LEU H 2.800 . 2.800 2.818 2.797 2.844 0.044 2 0 "[ . 1 . 2 .]" 3
1219 1 136 LEU HA 1 137 LEU H 3.500 . 3.500 3.583 3.580 3.585 0.085 8 0 "[ . 1 . 2 .]" 3
1220 1 136 LEU HA 1 138 GLN H 5.000 . 5.000 4.334 4.221 4.535 . 0 0 "[ . 1 . 2 .]" 3
1221 1 136 LEU H 1 138 GLN H 5.000 . 5.000 4.345 4.215 4.391 . 0 0 "[ . 1 . 2 .]" 3
1222 1 136 LEU HA 1 139 GLN QG 5.000 . 5.000 4.306 2.827 5.035 0.035 12 0 "[ . 1 . 2 .]" 3
1223 1 136 LEU HA 1 139 GLN QB 3.500 . 3.500 2.714 1.968 3.505 0.005 22 0 "[ . 1 . 2 .]" 3
1224 1 136 LEU HA 1 139 GLN H 3.500 . 3.500 3.498 3.349 3.543 0.043 24 0 "[ . 1 . 2 .]" 3
1225 1 137 LEU H 1 137 LEU QD 5.000 . 5.000 3.638 3.021 3.734 . 0 0 "[ . 1 . 2 .]" 3
1226 1 137 LEU H 1 138 GLN H 2.800 . 2.800 2.774 2.611 2.817 0.017 17 0 "[ . 1 . 2 .]" 3
1227 1 137 LEU QB 1 138 GLN H 3.500 . 3.500 2.616 2.532 2.708 . 0 0 "[ . 1 . 2 .]" 3
1228 1 137 LEU QD 1 138 GLN H 5.000 . 5.000 3.711 3.128 4.147 . 0 0 "[ . 1 . 2 .]" 3
1229 1 138 GLN H 1 138 GLN QB 3.500 . 3.500 2.278 2.149 2.403 . 0 0 "[ . 1 . 2 .]" 3
1230 1 138 GLN H 1 138 GLN QG 3.500 . 3.500 2.879 2.326 3.470 . 0 0 "[ . 1 . 2 .]" 3
1231 1 139 GLN H 1 139 GLN QB 3.500 . 3.500 2.404 2.157 2.839 . 0 0 "[ . 1 . 2 .]" 3
1232 1 139 GLN H 1 139 GLN QG 5.000 . 5.000 3.831 2.648 4.275 . 0 0 "[ . 1 . 2 .]" 3
1233 1 139 GLN H 1 140 ASN H 5.000 . 5.000 3.870 2.336 4.624 . 0 0 "[ . 1 . 2 .]" 3
1234 1 139 GLN HA 1 140 ASN H 3.500 . 3.500 2.487 2.248 3.587 0.087 14 0 "[ . 1 . 2 .]" 3
1235 1 140 ASN H 1 140 ASN QB 3.500 . 3.500 2.465 2.205 2.996 . 0 0 "[ . 1 . 2 .]" 3
1236 1 141 LYS H 1 141 LYS QG 5.000 . 5.000 3.561 2.509 4.210 . 0 0 "[ . 1 . 2 .]" 3
1237 1 141 LYS HA 1 142 LYS H 3.500 . 3.500 2.635 2.256 3.608 0.108 3 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 18
_Distance_constraint_stats_list.Viol_count 91
_Distance_constraint_stats_list.Viol_total 48.483
_Distance_constraint_stats_list.Viol_max 0.054
_Distance_constraint_stats_list.Viol_rms 0.0103
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0043
_Distance_constraint_stats_list.Viol_average_violations_only 0.0213
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 17 CYS 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 20 CYS 0.102 0.023 4 0 "[ . 1 . 2 .]"
1 43 CYS 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 46 CYS 0.102 0.023 4 0 "[ . 1 . 2 .]"
1 66 CYS 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 69 CYS 0.017 0.006 24 0 "[ . 1 . 2 .]"
1 78 CYS 0.414 0.049 24 0 "[ . 1 . 2 .]"
1 81 CYS 0.516 0.054 24 0 "[ . 1 . 2 .]"
1 86 CYS 0.017 0.006 24 0 "[ . 1 . 2 .]"
1 89 CYS 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 111 CYS 0.890 0.053 24 0 "[ . 1 . 2 .]"
1 114 CYS 1.820 0.054 24 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 17 CYS SG 1 20 CYS SG 3.800 3.600 3.900 3.775 3.755 3.794 . 0 0 "[ . 1 . 2 .]" 4
2 1 17 CYS SG 1 43 CYS SG 3.800 3.600 3.900 3.826 3.791 3.851 . 0 0 "[ . 1 . 2 .]" 4
3 1 17 CYS SG 1 46 CYS SG 3.800 3.600 3.900 3.717 3.693 3.743 . 0 0 "[ . 1 . 2 .]" 4
4 1 20 CYS SG 1 43 CYS SG 3.800 3.600 3.900 3.808 3.739 3.837 . 0 0 "[ . 1 . 2 .]" 4
5 1 20 CYS SG 1 46 CYS SG 3.800 3.600 3.900 3.603 3.577 3.642 0.023 4 0 "[ . 1 . 2 .]" 4
6 1 43 CYS SG 1 46 CYS SG 3.800 3.600 3.900 3.862 3.840 3.888 . 0 0 "[ . 1 . 2 .]" 4
7 1 66 CYS SG 1 69 CYS SG 3.800 3.600 3.900 3.788 3.759 3.820 . 0 0 "[ . 1 . 2 .]" 4
8 1 66 CYS SG 1 86 CYS SG 3.800 3.600 3.900 3.793 3.763 3.845 . 0 0 "[ . 1 . 2 .]" 4
9 1 66 CYS SG 1 89 CYS SG 3.800 3.600 3.900 3.785 3.754 3.860 . 0 0 "[ . 1 . 2 .]" 4
10 1 69 CYS SG 1 86 CYS SG 3.800 3.600 3.900 3.653 3.594 3.720 0.006 24 0 "[ . 1 . 2 .]" 4
11 1 69 CYS SG 1 89 CYS SG 3.800 3.600 3.900 3.810 3.780 3.836 . 0 0 "[ . 1 . 2 .]" 4
12 1 86 CYS SG 1 89 CYS SG 3.800 3.600 3.900 3.692 3.644 3.721 . 0 0 "[ . 1 . 2 .]" 4
13 1 78 CYS SG 1 81 CYS SG 3.800 3.600 3.900 3.785 3.731 3.814 . 0 0 "[ . 1 . 2 .]" 4
14 1 78 CYS SG 1 111 CYS SG 3.800 3.600 3.900 3.705 3.672 3.736 . 0 0 "[ . 1 . 2 .]" 4
15 1 78 CYS SG 1 114 CYS SG 3.800 3.600 3.900 3.917 3.903 3.949 0.049 24 0 "[ . 1 . 2 .]" 4
16 1 81 CYS SG 1 111 CYS SG 3.800 3.600 3.900 3.648 3.626 3.666 . 0 0 "[ . 1 . 2 .]" 4
17 1 81 CYS SG 1 114 CYS SG 3.800 3.600 3.900 3.579 3.546 3.594 0.054 24 0 "[ . 1 . 2 .]" 4
18 1 111 CYS SG 1 114 CYS SG 3.800 3.600 3.900 3.936 3.925 3.953 0.053 24 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 36
_Distance_constraint_stats_list.Viol_count 179
_Distance_constraint_stats_list.Viol_total 266.040
_Distance_constraint_stats_list.Viol_max 0.186
_Distance_constraint_stats_list.Viol_rms 0.0319
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0118
_Distance_constraint_stats_list.Viol_average_violations_only 0.0595
_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 33 TYR 6.198 0.186 21 0 "[ . 1 . 2 .]"
1 35 HIS 2.216 0.134 23 0 "[ . 1 . 2 .]"
1 40 VAL 2.216 0.134 23 0 "[ . 1 . 2 .]"
1 42 ILE 6.198 0.186 21 0 "[ . 1 . 2 .]"
1 44 LYS 0.019 0.016 2 0 "[ . 1 . 2 .]"
1 48 LYS 0.019 0.016 2 0 "[ . 1 . 2 .]"
1 76 ILE 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 85 PHE 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 87 LYS 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 88 LYS 1.213 0.086 18 0 "[ . 1 . 2 .]"
1 89 CYS 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 90 ILE 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 91 LEU 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 92 ARG 1.213 0.086 18 0 "[ . 1 . 2 .]"
1 93 ASN 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 94 LEU 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 119 LEU 0.007 0.005 6 0 "[ . 1 . 2 .]"
1 120 LEU 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 121 ASP 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 122 LEU 0.130 0.020 6 0 "[ . 1 . 2 .]"
1 123 VAL 0.866 0.065 25 0 "[ . 1 . 2 .]"
1 124 THR 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 125 ALA 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 126 CYS 0.130 0.020 6 0 "[ . 1 . 2 .]"
1 127 ASN 0.859 0.065 25 0 "[ . 1 . 2 .]"
1 129 VAL 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 130 PHE 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 33 TYR N 1 42 ILE O 3.300 . 3.300 3.366 3.264 3.411 0.111 19 0 "[ . 1 . 2 .]" 5
2 1 33 TYR H 1 42 ILE O 2.300 . 2.300 2.437 2.322 2.486 0.186 21 0 "[ . 1 . 2 .]" 5
3 1 33 TYR O 1 42 ILE N 3.300 . 3.300 3.230 2.784 3.326 0.026 13 0 "[ . 1 . 2 .]" 5
4 1 33 TYR O 1 42 ILE H 2.300 . 2.300 2.271 1.824 2.359 0.059 15 0 "[ . 1 . 2 .]" 5
5 1 35 HIS N 1 40 VAL O 3.300 . 3.300 2.590 2.566 2.729 . 0 0 "[ . 1 . 2 .]" 5
6 1 35 HIS H 1 40 VAL O 2.300 . 2.300 1.712 1.642 1.928 . 0 0 "[ . 1 . 2 .]" 5
7 1 35 HIS O 1 40 VAL N 3.300 . 3.300 3.210 3.148 3.267 . 0 0 "[ . 1 . 2 .]" 5
8 1 35 HIS O 1 40 VAL H 2.300 . 2.300 2.389 2.343 2.434 0.134 23 0 "[ . 1 . 2 .]" 5
9 1 76 ILE N 1 85 PHE O 3.300 . 3.300 2.612 2.567 2.734 . 0 0 "[ . 1 . 2 .]" 5
10 1 76 ILE H 1 85 PHE O 2.300 . 2.300 1.690 1.642 1.856 . 0 0 "[ . 1 . 2 .]" 5
11 1 76 ILE O 1 85 PHE N 3.300 . 3.300 2.710 2.595 2.987 . 0 0 "[ . 1 . 2 .]" 5
12 1 76 ILE O 1 85 PHE H 2.300 . 2.300 1.783 1.678 2.026 . 0 0 "[ . 1 . 2 .]" 5
13 1 44 LYS O 1 48 LYS N 3.300 . 3.300 3.143 2.901 3.291 . 0 0 "[ . 1 . 2 .]" 5
14 1 44 LYS O 1 48 LYS H 2.300 . 2.300 2.170 1.930 2.316 0.016 2 0 "[ . 1 . 2 .]" 5
15 1 87 LYS O 1 91 LEU N 3.300 . 3.300 2.637 2.566 2.740 . 0 0 "[ . 1 . 2 .]" 5
16 1 87 LYS O 1 91 LEU H 2.300 . 2.300 1.685 1.638 1.784 . 0 0 "[ . 1 . 2 .]" 5
17 1 88 LYS O 1 92 ARG N 3.300 . 3.300 3.158 3.104 3.216 . 0 0 "[ . 1 . 2 .]" 5
18 1 88 LYS O 1 92 ARG H 2.300 . 2.300 2.349 2.325 2.386 0.086 18 0 "[ . 1 . 2 .]" 5
19 1 89 CYS O 1 93 ASN N 3.300 . 3.300 2.580 2.562 2.594 . 0 0 "[ . 1 . 2 .]" 5
20 1 89 CYS O 1 93 ASN H 2.300 . 2.300 1.752 1.707 1.778 . 0 0 "[ . 1 . 2 .]" 5
21 1 90 ILE O 1 94 LEU N 3.300 . 3.300 2.591 2.573 2.630 . 0 0 "[ . 1 . 2 .]" 5
22 1 90 ILE O 1 94 LEU H 2.300 . 2.300 1.780 1.747 1.817 . 0 0 "[ . 1 . 2 .]" 5
23 1 119 LEU O 1 123 VAL N 3.300 . 3.300 3.198 3.064 3.277 . 0 0 "[ . 1 . 2 .]" 5
24 1 119 LEU O 1 123 VAL H 2.300 . 2.300 2.232 2.098 2.305 0.005 6 0 "[ . 1 . 2 .]" 5
25 1 120 LEU O 1 124 THR N 3.300 . 3.300 2.885 2.648 3.041 . 0 0 "[ . 1 . 2 .]" 5
26 1 120 LEU O 1 124 THR H 2.300 . 2.300 1.931 1.709 2.093 . 0 0 "[ . 1 . 2 .]" 5
27 1 121 ASP O 1 125 ALA N 3.300 . 3.300 3.021 2.785 3.173 . 0 0 "[ . 1 . 2 .]" 5
28 1 121 ASP O 1 125 ALA H 2.300 . 2.300 2.103 1.875 2.256 . 0 0 "[ . 1 . 2 .]" 5
29 1 122 LEU O 1 126 CYS N 3.300 . 3.300 3.177 3.083 3.213 . 0 0 "[ . 1 . 2 .]" 5
30 1 122 LEU O 1 126 CYS H 2.300 . 2.300 2.285 2.187 2.320 0.020 6 0 "[ . 1 . 2 .]" 5
31 1 123 VAL O 1 127 ASN N 3.300 . 3.300 3.284 3.269 3.305 0.005 24 0 "[ . 1 . 2 .]" 5
32 1 123 VAL O 1 127 ASN H 2.300 . 2.300 2.334 2.314 2.365 0.065 25 0 "[ . 1 . 2 .]" 5
33 1 125 ALA O 1 129 VAL N 3.300 . 3.300 2.947 2.766 3.195 . 0 0 "[ . 1 . 2 .]" 5
34 1 125 ALA O 1 129 VAL H 2.300 . 2.300 2.034 1.844 2.294 . 0 0 "[ . 1 . 2 .]" 5
35 1 126 CYS O 1 130 PHE N 3.300 . 3.300 3.080 2.896 3.266 . 0 0 "[ . 1 . 2 .]" 5
36 1 126 CYS O 1 130 PHE H 2.300 . 2.300 2.109 1.928 2.295 . 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 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 .
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 75 LEU 0.000 0.000 . 0 "[ . 1 . 2 .]"
2 4 LYS 0.000 0.000 . 0 "[ . 1 . 2 .]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 75 LEU H 2 4 LYS O 2.300 . 2.300 1.706 1.637 2.203 . 0 0 "[ . 1 . 2 .]" 6
2 1 75 LEU N 2 4 LYS O 3.300 . 3.300 2.640 2.577 3.119 . 0 0 "[ . 1 . 2 .]" 6
stop_
save_
save_distance_constraint_statistics_7
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 7
_Distance_constraint_stats_list.Constraint_count 2
_Distance_constraint_stats_list.Viol_count 6
_Distance_constraint_stats_list.Viol_total 1.161
_Distance_constraint_stats_list.Viol_max 0.013
_Distance_constraint_stats_list.Viol_rms 0.0027
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0009
_Distance_constraint_stats_list.Viol_average_violations_only 0.0077
_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 72 GLY 0.046 0.013 5 0 "[ . 1 . 2 .]"
2 7 ALA 0.046 0.013 5 0 "[ . 1 . 2 .]"
2 8 ARG 0.046 0.013 5 0 "[ . 1 . 2 .]"
2 9 . 0.046 0.013 5 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 72 GLY H 2 7 ALA O 2.300 . 2.300 2.147 1.839 2.313 0.013 5 0 "[ . 1 . 2 .]" 7
2 1 72 GLY N 2 7 ALA O 3.300 . 3.300 2.934 2.583 3.121 . 0 0 "[ . 1 . 2 .]" 7
stop_
save_
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