NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
575446 |
2mns   |
19902 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2mns
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 328
_Distance_constraint_stats_list.Viol_count 897
_Distance_constraint_stats_list.Viol_total 1682.119
_Distance_constraint_stats_list.Viol_max 0.452
_Distance_constraint_stats_list.Viol_rms 0.0118
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0021
_Distance_constraint_stats_list.Viol_average_violations_only 0.0375
_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 2 LEU 1.706 0.177 28 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 3 GLY 4.404 0.245 50 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 4 LEU 5.678 0.452 47 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 5 LEU 1.247 0.227 24 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 6 SER 0.831 0.115 41 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 7 TYR 0.870 0.106 41 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 8 GLY 2.486 0.171 43 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 9 ALA 2.026 0.159 44 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 10 GLY 4.024 0.158 38 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 11 VAL 6.037 0.171 43 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 12 ALA 2.977 0.116 36 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 13 SER 2.761 0.147 8 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 14 LEU 3.941 0.121 14 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 15 PRO 4.342 0.121 14 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 16 LEU 1.791 0.062 34 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 17 LEU 3.479 0.098 1 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 18 ASN 3.696 0.103 40 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 19 VAL 1.907 0.070 45 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 20 ILE 1.981 0.074 41 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 21 ALA 3.658 0.074 41 0 "[ . 1 . 2 . 3 . 4 . 5]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 2 LEU QB 1 2 LEU HG 2.300 . 2.800 2.420 2.396 2.556 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
2 1 2 LEU H 1 2 LEU QB 2.900 . 4.000 2.502 2.336 3.255 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
3 1 2 LEU QB 1 2 LEU QD 2.300 . 2.800 1.908 1.900 1.918 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
4 1 2 LEU HA 1 2 LEU HG 2.300 . 2.800 2.804 2.312 2.977 0.177 28 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
5 1 2 LEU H 1 2 LEU HA 2.900 . 4.000 2.756 2.300 2.925 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
6 1 2 LEU H 1 2 LEU HG 2.900 . 4.000 2.372 2.233 3.267 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
7 1 2 LEU H 1 2 LEU QD 2.900 . 4.000 3.024 1.787 3.251 0.013 11 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
8 1 3 GLY H 1 3 GLY QA 2.300 . 2.800 2.415 2.204 2.505 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
9 1 4 LEU QB 1 4 LEU QD 2.300 . 2.800 1.919 1.890 1.930 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
10 1 4 LEU H 1 4 LEU QB 2.900 . 4.000 2.643 2.368 3.405 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
11 1 4 LEU HA 1 4 LEU QD 2.300 . 2.800 2.162 2.099 3.252 0.452 47 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
12 1 4 LEU H 1 4 LEU HG 2.900 . 4.000 2.429 1.858 4.193 0.193 50 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
13 1 4 LEU H 1 4 LEU HA 2.900 . 4.000 2.747 2.272 2.972 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
14 1 4 LEU H 1 4 LEU QD 2.900 . 4.000 3.048 1.840 4.077 0.077 50 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
15 1 4 LEU HA 1 4 LEU HG 2.900 . 4.000 3.010 2.863 3.637 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
16 1 5 LEU QB 1 5 LEU QD 2.300 . 2.800 1.937 1.889 2.024 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
17 1 5 LEU H 1 5 LEU QB 2.300 . 2.800 2.280 2.145 2.408 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
18 1 5 LEU HA 1 5 LEU QD 2.300 . 2.800 2.163 1.978 3.027 0.227 24 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
19 1 5 LEU H 1 5 LEU HA 2.900 . 4.000 2.824 2.798 2.959 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
20 1 5 LEU H 1 5 LEU QD 2.900 . 4.000 3.323 1.785 3.757 0.015 36 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
21 1 5 LEU HA 1 5 LEU HG 2.900 . 4.000 3.036 2.309 3.666 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
22 1 6 SER H 1 6 SER QB 2.900 . 4.000 2.362 2.206 2.623 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
23 1 6 SER HA 1 6 SER QB 2.300 . 2.800 2.325 2.186 2.511 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
24 1 6 SER H 1 6 SER HA 2.900 . 4.000 2.845 2.750 2.973 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
25 1 7 TYR H 1 7 TYR QB 2.300 . 2.800 2.312 2.179 2.880 0.080 39 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
26 1 7 TYR QB 1 7 TYR QD 2.300 . 2.800 2.153 2.143 2.172 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
27 1 7 TYR HA 1 7 TYR QB 2.300 . 2.800 2.377 2.181 2.457 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
28 1 7 TYR H 1 7 TYR HA 2.900 . 4.000 2.807 2.291 2.915 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
29 1 7 TYR HA 1 7 TYR QD 2.900 . 4.000 2.778 2.327 3.676 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
30 1 7 TYR H 1 7 TYR QD 3.400 . 5.000 3.290 1.785 4.227 0.015 37 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
31 1 7 TYR QB 1 7 TYR QE 2.900 . 4.000 3.964 3.953 3.979 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
32 1 7 TYR HA 1 7 TYR QE 3.900 . 6.000 4.545 4.343 5.596 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
33 1 8 GLY H 1 8 GLY QA 2.300 . 2.800 2.313 2.203 2.495 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
34 1 9 ALA HA 1 9 ALA MB 2.300 . 2.800 2.139 2.131 2.145 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
35 1 9 ALA H 1 9 ALA MB 2.300 . 2.800 2.340 2.131 2.883 0.083 43 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
36 1 9 ALA H 1 9 ALA HA 2.900 . 4.000 2.743 2.290 2.951 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
37 1 10 GLY H 1 10 GLY QA 2.300 . 2.800 2.409 2.211 2.507 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
38 1 11 VAL H 1 11 VAL QG 2.300 . 2.800 2.164 1.754 2.878 0.078 43 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
39 1 11 VAL HA 1 11 VAL QG 2.300 . 2.800 2.106 2.041 2.313 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
40 1 11 VAL H 1 11 VAL HA 2.900 . 4.000 2.762 2.280 2.945 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
41 1 11 VAL H 1 11 VAL HB 2.900 . 4.000 2.773 2.358 3.815 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
42 1 11 VAL HA 1 11 VAL HB 2.900 . 4.000 2.959 2.394 3.031 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
43 1 12 ALA HA 1 12 ALA MB 2.300 . 2.800 2.138 2.129 2.146 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
44 1 12 ALA H 1 12 ALA MB 2.900 . 4.000 2.551 2.188 3.084 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
45 1 12 ALA H 1 12 ALA HA 2.900 . 4.000 2.651 2.290 2.957 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
46 1 13 SER HA 1 13 SER QB 2.300 . 2.800 2.336 2.179 2.526 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
47 1 13 SER H 1 13 SER QB 2.900 . 4.000 2.603 2.220 3.460 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
48 1 13 SER H 1 13 SER HA 2.900 . 4.000 2.786 2.288 2.975 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
49 1 14 LEU QB 1 14 LEU QD 2.300 . 2.800 1.931 1.898 2.014 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
50 1 14 LEU H 1 14 LEU QB 2.900 . 4.000 2.571 2.153 3.233 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
51 1 14 LEU HA 1 14 LEU QD 2.300 . 2.800 2.227 1.952 2.761 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
52 1 14 LEU H 1 14 LEU HA 2.900 . 4.000 2.791 2.286 2.972 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
53 1 14 LEU H 1 14 LEU QD 2.900 . 4.000 3.452 1.921 4.108 0.108 21 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
54 1 15 PRO HA 1 15 PRO QB 2.300 . 2.800 2.222 2.190 2.250 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
55 1 15 PRO HA 1 15 PRO QG 2.900 . 4.000 3.202 2.861 3.560 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
56 1 15 PRO HA 1 15 PRO QD 2.900 . 4.000 3.413 3.235 3.548 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
57 1 15 PRO QB 1 15 PRO QD 2.900 . 4.000 2.813 2.672 3.021 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
58 1 16 LEU QB 1 16 LEU QD 2.300 . 2.800 1.912 1.898 1.922 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
59 1 16 LEU HA 1 16 LEU QD 2.300 . 2.800 2.150 2.116 2.193 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
60 1 16 LEU H 1 16 LEU QB 2.300 . 2.800 2.366 2.264 2.406 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
61 1 16 LEU H 1 16 LEU HA 2.300 . 2.800 2.824 2.814 2.834 0.034 43 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
62 1 16 LEU HA 1 16 LEU QB 2.300 . 2.800 2.407 2.394 2.448 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
63 1 16 LEU H 1 16 LEU HG 2.900 . 4.000 2.283 2.202 2.538 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
64 1 16 LEU HA 1 16 LEU HG 2.900 . 4.000 2.832 2.661 2.904 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
65 1 17 LEU QB 1 17 LEU QD 2.300 . 2.800 1.950 1.900 2.025 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
66 1 17 LEU H 1 17 LEU QB 2.300 . 2.800 2.306 2.192 2.588 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
67 1 17 LEU HA 1 17 LEU QD 2.300 . 2.800 2.157 1.979 2.508 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
68 1 17 LEU H 1 17 LEU HA 2.300 . 2.800 2.823 2.800 2.847 0.047 22 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
69 1 17 LEU H 1 17 LEU QD 2.900 . 4.000 2.463 1.792 3.692 0.008 39 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
70 1 18 ASN HA 1 18 ASN QB 2.300 . 2.800 2.375 2.326 2.456 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
71 1 18 ASN H 1 18 ASN QB 2.300 . 2.800 2.270 2.236 2.375 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
72 1 18 ASN H 1 18 ASN HA 2.300 . 2.800 2.816 2.800 2.825 0.025 47 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
73 1 18 ASN QB 1 18 ASN QD 2.900 . 4.000 2.321 2.177 2.741 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
74 1 18 ASN HA 1 18 ASN QD 2.900 . 4.000 3.475 1.782 4.057 0.057 9 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
75 1 18 ASN H 1 18 ASN QD 3.400 . 5.000 4.254 2.032 4.666 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
76 1 19 VAL HA 1 19 VAL QG 2.300 . 2.800 2.094 2.054 2.114 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
77 1 19 VAL H 1 19 VAL HB 2.300 . 2.800 2.430 2.382 2.493 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
78 1 19 VAL H 1 19 VAL QG 2.300 . 2.800 2.173 2.073 2.267 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
79 1 19 VAL H 1 19 VAL HA 2.900 . 4.000 2.830 2.818 2.842 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
80 1 19 VAL HA 1 19 VAL HB 2.900 . 4.000 3.028 3.025 3.031 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
81 1 20 ILE HB 1 20 ILE MG 2.300 . 2.800 2.145 2.136 2.152 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
82 1 20 ILE HA 1 20 ILE MG 2.300 . 2.800 2.368 2.289 2.410 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
83 1 20 ILE H 1 20 ILE HB 2.300 . 2.800 2.453 2.392 2.586 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
84 1 20 ILE QG 1 20 ILE MG 2.900 . 4.000 2.264 2.226 2.307 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
85 1 20 ILE H 1 20 ILE HA 2.900 . 4.000 2.835 2.828 2.850 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
86 1 20 ILE H 1 20 ILE QG 2.900 . 4.000 2.158 1.981 2.237 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
87 1 20 ILE HB 1 20 ILE MD 2.900 . 4.000 2.705 2.248 3.239 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
88 1 20 ILE HA 1 20 ILE HB 2.900 . 4.000 3.028 3.024 3.031 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
89 1 20 ILE H 1 20 ILE MG 2.900 . 4.000 3.741 3.729 3.761 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
90 1 20 ILE HA 1 20 ILE QG 2.900 . 4.000 2.625 2.339 3.030 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
91 1 20 ILE HA 1 20 ILE MD 2.900 . 4.000 3.058 2.089 3.821 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
92 1 20 ILE H 1 20 ILE MD 2.900 . 4.000 3.281 2.925 3.459 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
93 1 21 ALA HA 1 21 ALA MB 2.300 . 2.800 2.140 2.133 2.144 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
94 1 21 ALA H 1 21 ALA MB 2.300 . 2.800 2.238 2.194 2.283 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
95 1 21 ALA H 1 21 ALA HA 2.900 . 4.000 2.870 2.787 2.918 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
96 1 2 LEU H 1 3 GLY H 2.900 . 4.000 2.659 2.328 2.998 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
97 1 2 LEU HA 1 3 GLY QA 3.400 . 5.000 4.248 3.986 4.475 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
98 1 2 LEU HA 1 3 GLY H 2.900 . 4.000 3.410 2.661 3.552 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
99 1 2 LEU QB 1 3 GLY H 2.900 . 4.000 2.849 2.494 3.909 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
100 1 2 LEU HG 1 3 GLY H 3.400 . 5.000 4.479 4.320 4.918 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
101 1 2 LEU H 1 3 GLY QA 3.400 . 5.000 4.580 4.281 4.853 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
102 1 2 LEU QB 1 3 GLY QA 3.400 . 5.000 3.793 3.585 4.123 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
103 1 2 LEU QD 1 3 GLY H 3.400 . 5.000 4.134 3.632 4.430 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
104 1 3 GLY QA 1 4 LEU H 2.300 . 2.800 2.736 2.333 2.903 0.103 6 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
105 1 3 GLY H 1 4 LEU H 2.900 . 4.000 2.227 1.728 3.154 0.072 20 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
106 1 3 GLY QA 1 4 LEU HA 3.400 . 5.000 4.142 3.975 4.547 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
107 1 3 GLY QA 1 4 LEU QD 2.900 . 4.000 3.931 3.339 4.104 0.104 38 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
108 1 3 GLY QA 1 4 LEU QB 3.400 . 5.000 4.419 3.561 4.713 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
109 1 3 GLY QA 1 4 LEU HG 2.900 . 4.000 3.758 2.942 4.245 0.245 50 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
110 1 3 GLY H 1 4 LEU QB 3.400 . 5.000 4.366 3.607 5.032 0.032 23 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
111 1 3 GLY H 1 4 LEU HA 3.400 . 5.000 4.588 3.896 5.188 0.188 29 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
112 1 4 LEU H 1 5 LEU H 2.300 . 2.800 2.521 1.901 2.846 0.046 50 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
113 1 4 LEU HA 1 5 LEU H 2.900 . 4.000 3.337 2.942 3.552 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
114 1 4 LEU H 1 5 LEU HA 3.900 . 6.000 5.041 4.106 5.418 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
115 1 5 LEU H 1 6 SER H 2.300 . 2.800 2.673 2.090 2.795 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
116 1 5 LEU QB 1 6 SER H 2.900 . 4.000 2.537 2.356 2.659 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
117 1 5 LEU QD 1 6 SER H 3.400 . 5.000 3.842 2.849 4.137 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
118 1 6 SER HA 1 7 TYR QB 3.900 . 6.000 5.200 3.996 5.496 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
119 1 7 TYR H 1 8 GLY H 2.300 . 2.800 2.696 2.453 2.906 0.106 41 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
120 1 7 TYR QB 1 8 GLY H 2.900 . 4.000 2.680 2.350 3.974 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
121 1 7 TYR HA 1 8 GLY H 2.900 . 4.000 3.485 2.630 3.571 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
122 1 7 TYR HA 1 8 GLY QA 3.400 . 5.000 4.330 3.971 4.498 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
123 1 7 TYR QB 1 8 GLY QA 3.400 . 5.000 3.832 3.573 4.558 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
124 1 7 TYR QD 1 8 GLY QA 3.900 . 6.000 4.232 2.861 5.625 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
125 1 7 TYR QD 1 8 GLY H 3.400 . 5.000 3.793 2.269 4.765 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
126 1 8 GLY H 1 9 ALA H 2.300 . 2.800 2.428 1.737 2.873 0.073 27 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
127 1 8 GLY QA 1 9 ALA H 2.900 . 4.000 2.798 2.470 2.951 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
128 1 8 GLY QA 1 9 ALA MB 3.400 . 5.000 4.133 3.566 4.302 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
129 1 8 GLY H 1 9 ALA HA 3.400 . 5.000 4.619 3.981 5.159 0.159 44 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
130 1 8 GLY H 1 9 ALA MB 3.400 . 5.000 4.047 3.282 4.604 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
131 1 9 ALA H 1 10 GLY H 2.900 . 4.000 2.945 2.472 4.016 0.016 9 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
132 1 9 ALA HA 1 10 GLY H 2.900 . 4.000 3.173 2.324 3.559 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
133 1 9 ALA MB 1 10 GLY H 2.900 . 4.000 3.138 1.798 3.723 0.002 8 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
134 1 9 ALA MB 1 10 GLY QA 2.900 . 4.000 3.780 3.454 4.086 0.086 41 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
135 1 9 ALA HA 1 10 GLY QA 3.400 . 5.000 4.164 3.913 4.477 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
136 1 10 GLY QA 1 11 VAL H 2.300 . 2.800 2.683 2.118 2.896 0.096 8 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
137 1 10 GLY H 1 11 VAL H 2.900 . 4.000 2.273 1.646 4.094 0.154 13 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
138 1 10 GLY H 1 11 VAL QG 2.900 . 4.000 3.358 2.300 4.140 0.140 43 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
139 1 10 GLY H 1 11 VAL HB 3.400 . 5.000 4.496 3.740 5.158 0.158 38 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
140 1 11 VAL H 1 12 ALA H 2.300 . 2.800 2.685 2.065 2.858 0.058 9 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
141 1 11 VAL HA 1 12 ALA H 2.900 . 4.000 3.505 3.033 3.575 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
142 1 11 VAL QG 1 12 ALA H 2.900 . 4.000 3.011 1.759 3.700 0.041 32 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
143 1 11 VAL H 1 12 ALA MB 3.400 . 5.000 4.469 3.390 4.959 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
144 1 11 VAL HB 1 12 ALA H 2.900 . 4.000 2.774 1.796 3.989 0.004 43 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
145 1 11 VAL HA 1 12 ALA MB 3.400 . 5.000 4.539 3.873 5.040 0.040 39 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
146 1 11 VAL HA 1 12 ALA HA 3.900 . 6.000 4.949 4.509 5.368 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
147 1 11 VAL HB 1 12 ALA MB 3.400 . 5.000 4.263 3.513 5.054 0.054 48 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
148 1 11 VAL HB 1 12 ALA HA 3.400 . 5.000 4.552 3.987 5.017 0.017 17 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
149 1 12 ALA HA 1 13 SER H 2.900 . 4.000 3.236 2.819 3.537 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
150 1 12 ALA H 1 13 SER H 2.900 . 4.000 2.579 1.719 3.934 0.081 5 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
151 1 12 ALA MB 1 13 SER H 2.900 . 4.000 3.207 1.808 3.680 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
152 1 12 ALA MB 1 13 SER QB 3.400 . 5.000 4.223 3.233 4.882 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
153 1 12 ALA MB 1 13 SER HA 3.400 . 5.000 4.195 3.824 5.059 0.059 46 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
154 1 12 ALA H 1 13 SER QB 3.900 . 6.000 4.572 3.518 5.515 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
155 1 12 ALA H 1 13 SER HA 3.900 . 6.000 5.004 4.410 5.563 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
156 1 13 SER H 1 14 LEU H 2.300 . 2.800 2.558 1.832 2.874 0.074 28 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
157 1 13 SER QB 1 14 LEU H 2.900 . 4.000 3.589 2.853 4.022 0.022 28 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
158 1 13 SER QB 1 14 LEU QB 3.400 . 5.000 4.236 3.530 5.043 0.043 22 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
159 1 13 SER QB 1 14 LEU HA 3.900 . 6.000 4.616 4.078 5.577 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
160 1 13 SER H 1 14 LEU QD 3.900 . 6.000 4.600 3.294 5.648 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
161 1 13 SER H 1 14 LEU QB 3.400 . 5.000 4.165 3.483 4.851 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
162 1 13 SER H 1 14 LEU HA 3.900 . 6.000 5.004 3.813 5.325 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
163 1 13 SER HA 1 14 LEU QB 3.900 . 6.000 4.727 3.751 5.244 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
164 1 14 LEU HA 1 15 PRO QD 2.900 . 4.000 3.272 2.249 3.568 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
165 1 14 LEU QD 1 15 PRO QD 2.900 . 4.000 3.497 2.769 4.011 0.011 34 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
166 1 14 LEU QB 1 15 PRO QD 2.900 . 4.000 2.440 1.916 3.853 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
167 1 14 LEU H 1 15 PRO QD 2.900 . 4.000 1.872 1.679 2.355 0.121 14 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
168 1 14 LEU QB 1 15 PRO QG 3.900 . 6.000 3.903 3.147 5.411 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
169 1 14 LEU H 1 15 PRO QG 3.400 . 5.000 3.806 3.353 4.300 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
170 1 14 LEU QB 1 15 PRO QB 3.900 . 6.000 4.588 3.768 5.373 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
171 1 14 LEU H 1 15 PRO QB 3.400 . 5.000 4.640 4.164 5.039 0.039 12 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
172 1 15 PRO HA 1 16 LEU H 2.900 . 4.000 3.571 3.522 3.588 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
173 1 15 PRO QB 1 16 LEU H 2.900 . 4.000 2.489 1.946 3.176 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
174 1 15 PRO QD 1 16 LEU H 2.900 . 4.000 2.613 1.909 3.028 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
175 1 15 PRO QG 1 16 LEU H 2.900 . 4.000 2.890 1.782 3.829 0.018 38 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
176 1 15 PRO HA 1 16 LEU HA 3.400 . 5.000 4.770 4.701 4.807 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
177 1 15 PRO HA 1 16 LEU HG 3.900 . 6.000 5.338 5.137 5.467 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
178 1 15 PRO QB 1 16 LEU QB 3.400 . 5.000 4.328 3.862 4.884 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
179 1 15 PRO QD 1 16 LEU HA 3.900 . 6.000 5.158 4.528 5.517 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
180 1 15 PRO QB 1 16 LEU HG 3.400 . 5.000 3.144 2.660 3.926 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
181 1 15 PRO QD 1 16 LEU HG 3.400 . 5.000 4.144 3.643 4.479 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
182 1 16 LEU H 1 17 LEU H 2.300 . 2.800 2.662 2.595 2.746 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
183 1 16 LEU HA 1 17 LEU H 2.900 . 4.000 3.536 3.523 3.558 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
184 1 17 LEU H 1 18 ASN H 2.300 . 2.800 2.648 2.577 2.721 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
185 1 17 LEU QB 1 18 ASN H 2.900 . 4.000 2.616 2.501 2.730 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
186 1 17 LEU HA 1 18 ASN H 2.900 . 4.000 3.534 3.511 3.549 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
187 1 17 LEU QB 1 18 ASN QB 3.400 . 5.000 4.101 3.880 4.510 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
188 1 17 LEU QD 1 18 ASN H 2.900 . 4.000 3.863 3.674 4.089 0.089 28 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
189 1 17 LEU H 1 18 ASN QB 3.400 . 5.000 4.437 4.343 4.562 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
190 1 17 LEU HA 1 18 ASN QB 3.900 . 6.000 5.251 5.181 5.401 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
191 1 17 LEU QD 1 18 ASN QB 3.900 . 6.000 4.969 4.558 5.358 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
192 1 18 ASN H 1 19 VAL H 2.300 . 2.800 2.699 2.662 2.733 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
193 1 18 ASN QB 1 19 VAL H 2.900 . 4.000 2.576 2.500 2.652 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
194 1 18 ASN HA 1 19 VAL H 2.900 . 4.000 3.548 3.538 3.562 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
195 1 18 ASN QB 1 19 VAL QG 2.900 . 4.000 3.151 3.036 3.270 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
196 1 18 ASN QB 1 19 VAL HA 3.400 . 5.000 4.076 3.868 4.210 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
197 1 18 ASN H 1 19 VAL QG 3.400 . 5.000 4.137 4.053 4.203 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
198 1 18 ASN HA 1 19 VAL QG 3.400 . 5.000 4.787 4.738 4.834 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
199 1 18 ASN H 1 19 VAL HB 3.400 . 5.000 4.820 4.748 4.905 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
200 1 18 ASN QB 1 19 VAL HB 3.400 . 5.000 4.714 4.631 4.813 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
201 1 19 VAL H 1 20 ILE H 2.300 . 2.800 2.677 2.625 2.736 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
202 1 19 VAL HB 1 20 ILE H 2.900 . 4.000 2.501 2.451 2.576 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
203 1 19 VAL HA 1 20 ILE H 2.900 . 4.000 3.553 3.542 3.566 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
204 1 19 VAL QG 1 20 ILE H 2.900 . 4.000 3.078 3.037 3.127 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
205 1 19 VAL QG 1 20 ILE QG 2.900 . 4.000 3.340 3.164 3.579 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
206 1 19 VAL HB 1 20 ILE MG 3.900 . 6.000 5.471 5.395 5.567 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
207 1 19 VAL H 1 20 ILE QG 3.400 . 5.000 4.298 4.073 4.394 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
208 1 19 VAL QG 1 20 ILE HA 3.400 . 5.000 3.309 3.265 3.396 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
209 1 19 VAL H 1 20 ILE MG 3.900 . 6.000 5.872 5.806 5.967 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
210 1 19 VAL QG 1 20 ILE HB 3.400 . 5.000 4.722 4.659 4.827 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
211 1 19 VAL H 1 20 ILE HB 3.400 . 5.000 4.788 4.662 4.989 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
212 1 19 VAL HB 1 20 ILE QG 3.400 . 5.000 3.201 3.117 3.295 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
213 1 19 VAL HB 1 20 ILE HA 3.400 . 5.000 4.373 4.296 4.444 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
214 1 19 VAL H 1 20 ILE HA 3.900 . 6.000 5.300 5.257 5.342 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
215 1 19 VAL HA 1 20 ILE QG 3.900 . 6.000 5.133 5.055 5.272 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
216 1 20 ILE H 1 21 ALA H 2.300 . 2.800 2.620 2.578 2.650 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
217 1 20 ILE HB 1 21 ALA H 2.900 . 4.000 2.540 2.495 2.574 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
218 1 20 ILE HA 1 21 ALA H 2.900 . 4.000 3.541 3.535 3.552 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
219 1 20 ILE MG 1 21 ALA H 2.900 . 4.000 3.350 3.277 3.549 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
220 1 20 ILE QG 1 21 ALA H 2.900 . 4.000 3.999 3.836 4.074 0.074 41 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
221 1 20 ILE HB 1 21 ALA MB 2.900 . 4.000 3.844 3.630 4.021 0.021 32 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
222 1 20 ILE MD 1 21 ALA H 3.400 . 5.000 4.474 4.382 4.651 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
223 1 20 ILE H 1 21 ALA MB 3.400 . 5.000 4.325 4.251 4.404 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
224 1 20 ILE H 1 21 ALA HA 3.900 . 6.000 5.262 5.231 5.291 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
225 1 20 ILE HB 1 21 ALA HA 3.400 . 5.000 4.360 4.173 4.496 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
226 1 2 LEU H 1 4 LEU H 3.400 . 5.000 4.126 3.242 5.000 0.000 23 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
227 1 3 GLY QA 1 5 LEU H 2.900 . 4.000 3.601 3.057 4.064 0.064 30 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
228 1 3 GLY H 1 5 LEU H 2.900 . 4.000 2.862 2.260 4.085 0.085 11 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
229 1 4 LEU H 1 6 SER H 3.400 . 5.000 4.423 4.088 4.776 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
230 1 4 LEU H 1 6 SER QB 3.900 . 6.000 5.656 4.943 6.053 0.053 39 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
231 1 6 SER HA 1 8 GLY H 3.400 . 5.000 4.255 3.179 4.973 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
232 1 6 SER HA 1 8 GLY QA 3.900 . 6.000 5.322 4.400 6.115 0.115 41 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
233 1 7 TYR HA 1 9 ALA H 3.900 . 6.000 4.426 3.491 5.745 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
234 1 7 TYR QB 1 9 ALA H 3.400 . 5.000 4.256 3.278 5.006 0.006 39 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
235 1 7 TYR QD 1 9 ALA H 3.900 . 6.000 5.219 3.906 5.908 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
236 1 7 TYR QB 1 9 ALA MB 3.900 . 6.000 4.967 2.889 6.001 0.001 43 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
237 1 8 GLY QA 1 10 GLY H 2.900 . 4.000 3.292 2.731 4.027 0.027 14 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
238 1 10 GLY QA 1 12 ALA H 3.400 . 5.000 3.807 2.758 4.857 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
239 1 11 VAL HA 1 13 SER H 3.900 . 6.000 4.038 2.970 5.297 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
240 1 11 VAL HB 1 13 SER H 3.400 . 5.000 3.872 2.374 5.065 0.065 11 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
241 1 12 ALA MB 1 14 LEU QB 3.900 . 6.000 5.611 5.249 6.116 0.116 36 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
242 1 13 SER QB 1 15 PRO QD 3.400 . 5.000 4.352 3.215 5.004 0.004 22 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
243 1 13 SER H 1 15 PRO QD 3.400 . 5.000 3.341 1.790 4.106 0.010 38 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
244 1 13 SER HA 1 15 PRO QD 3.400 . 5.000 4.319 3.793 4.740 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
245 1 15 PRO HA 1 17 LEU H 3.400 . 5.000 4.626 4.409 4.773 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
246 1 15 PRO QB 1 17 LEU H 3.400 . 5.000 4.701 4.285 5.056 0.056 15 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
247 1 15 PRO QD 1 17 LEU QB 3.900 . 6.000 4.509 3.046 5.317 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
248 1 15 PRO QD 1 17 LEU H 3.400 . 5.000 3.808 2.524 4.620 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
249 1 16 LEU QB 1 18 ASN QB 3.900 . 6.000 5.728 5.634 5.854 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
250 1 16 LEU H 1 18 ASN QB 3.400 . 5.000 4.889 4.712 5.055 0.055 36 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
251 1 17 LEU H 1 19 VAL H 3.400 . 5.000 4.190 4.125 4.260 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
252 1 17 LEU HA 1 19 VAL H 3.400 . 5.000 4.372 4.287 4.485 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
253 1 17 LEU QB 1 19 VAL H 3.400 . 5.000 4.733 4.658 4.795 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
254 1 17 LEU H 1 19 VAL QG 3.400 . 5.000 4.961 4.781 5.028 0.028 29 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
255 1 17 LEU QD 1 19 VAL H 3.900 . 6.000 5.101 4.799 5.469 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
256 1 19 VAL H 1 21 ALA H 2.900 . 4.000 4.032 4.010 4.070 0.070 45 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
257 1 19 VAL HA 1 21 ALA H 3.400 . 5.000 4.536 4.494 4.599 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
258 1 19 VAL QG 1 21 ALA MB 3.900 . 6.000 5.200 4.981 5.339 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
259 1 19 VAL HB 1 21 ALA H 3.400 . 5.000 4.929 4.898 4.976 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
260 1 19 VAL QG 1 21 ALA H 3.400 . 5.000 4.590 4.574 4.606 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
261 1 19 VAL H 1 21 ALA MB 3.400 . 5.000 4.794 4.613 5.008 0.008 2 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
262 1 2 LEU H 1 5 LEU QB 3.900 . 6.000 4.365 2.289 5.982 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
263 1 2 LEU H 1 5 LEU H 3.400 . 5.000 4.429 3.510 5.014 0.014 40 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
264 1 3 GLY H 1 6 SER QB 3.900 . 6.000 5.519 3.480 6.055 0.055 7 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
265 1 4 LEU HA 1 7 TYR QD 2.900 . 4.000 3.056 2.322 4.070 0.070 50 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
266 1 4 LEU HA 1 7 TYR QB 3.400 . 5.000 2.771 2.080 4.245 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
267 1 4 LEU HA 1 7 TYR QE 3.900 . 6.000 4.918 2.640 6.101 0.101 14 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
268 1 4 LEU QB 1 7 TYR QD 3.400 . 5.000 3.984 2.142 4.680 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
269 1 4 LEU QB 1 7 TYR QB 3.400 . 5.000 3.480 2.220 4.561 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
270 1 4 LEU H 1 7 TYR QB 3.900 . 6.000 5.123 4.006 6.052 0.052 41 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
271 1 4 LEU HG 1 7 TYR QD 3.900 . 6.000 5.264 4.549 6.054 0.054 40 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
272 1 5 LEU QB 1 8 GLY H 3.900 . 6.000 5.202 4.653 5.990 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
273 1 6 SER HA 1 9 ALA H 3.400 . 5.000 4.012 2.853 5.074 0.074 35 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
274 1 8 GLY QA 1 11 VAL QG 2.900 . 4.000 2.989 2.025 4.171 0.171 43 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
275 1 8 GLY QA 1 11 VAL HB 3.400 . 5.000 3.696 2.166 5.024 0.024 37 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
276 1 10 GLY H 1 13 SER H 3.900 . 6.000 5.244 3.127 6.106 0.106 34 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
277 1 11 VAL HA 1 14 LEU QB 3.900 . 6.000 4.861 3.697 6.074 0.074 6 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
278 1 11 VAL HB 1 14 LEU QB 3.900 . 6.000 5.414 3.219 6.097 0.097 2 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
279 1 12 ALA HA 1 15 PRO QG 3.400 . 5.000 3.191 2.257 5.045 0.045 34 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
280 1 12 ALA MB 1 15 PRO QG 3.400 . 5.000 3.659 2.087 4.778 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
281 1 12 ALA MB 1 15 PRO QD 3.400 . 5.000 3.507 2.198 4.461 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
282 1 12 ALA HA 1 15 PRO QD 3.400 . 5.000 2.884 2.275 4.913 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
283 1 12 ALA H 1 15 PRO QG 3.900 . 6.000 4.579 2.166 5.863 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
284 1 14 LEU HA 1 17 LEU QB 2.900 . 4.000 2.798 2.388 3.559 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
285 1 15 PRO QB 1 18 ASN QB 3.400 . 5.000 4.398 3.912 4.860 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
286 1 15 PRO QB 1 18 ASN H 3.400 . 5.000 4.953 4.823 5.087 0.087 11 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
287 1 15 PRO QG 1 18 ASN QB 3.900 . 6.000 5.264 4.843 5.597 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
288 1 15 PRO QD 1 18 ASN QB 3.400 . 5.000 4.939 4.446 5.103 0.103 40 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
289 1 16 LEU QD 1 19 VAL QG 2.900 . 4.000 3.337 2.909 3.536 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
290 1 16 LEU HA 1 19 VAL QG 2.900 . 4.000 3.030 2.648 3.219 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
291 1 16 LEU HA 1 19 VAL H 2.900 . 4.000 3.497 3.247 3.626 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
292 1 16 LEU HA 1 19 VAL HA 3.900 . 6.000 5.574 5.240 5.740 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
293 1 16 LEU HA 1 19 VAL HB 2.900 . 4.000 2.975 2.723 3.287 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
294 1 16 LEU QB 1 19 VAL QG 3.400 . 5.000 4.419 4.062 4.568 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
295 1 16 LEU QB 1 19 VAL H 3.400 . 5.000 4.865 4.656 4.964 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
296 1 16 LEU H 1 19 VAL QG 3.400 . 5.000 4.608 4.433 4.727 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
297 1 16 LEU HG 1 19 VAL QG 3.400 . 5.000 4.850 4.512 5.021 0.021 23 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
298 1 16 LEU QD 1 19 VAL HB 3.400 . 5.000 3.871 3.497 4.127 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
299 1 16 LEU H 1 19 VAL H 3.400 . 5.000 4.869 4.771 4.984 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
300 1 16 LEU QD 1 19 VAL H 3.400 . 5.000 4.851 4.598 4.972 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
301 1 17 LEU HA 1 20 ILE H 2.900 . 4.000 3.479 3.378 3.577 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
302 1 17 LEU HA 1 20 ILE HB 2.900 . 4.000 2.760 2.473 3.161 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
303 1 17 LEU HA 1 20 ILE QG 2.900 . 4.000 3.519 2.943 3.937 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
304 1 17 LEU H 1 20 ILE H 3.400 . 5.000 4.863 4.700 5.017 0.017 13 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
305 1 17 LEU QB 1 20 ILE H 3.900 . 6.000 4.951 4.842 5.149 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
306 1 17 LEU H 1 20 ILE QG 3.900 . 6.000 5.018 4.712 5.296 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
307 1 18 ASN HA 1 21 ALA MB 2.900 . 4.000 2.535 2.328 2.842 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
308 1 18 ASN HA 1 21 ALA H 2.900 . 4.000 3.476 3.388 3.588 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
309 1 18 ASN QB 1 21 ALA MB 3.400 . 5.000 4.317 3.949 4.589 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
310 1 18 ASN H 1 21 ALA MB 3.400 . 5.000 4.487 4.348 4.629 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
311 1 18 ASN QB 1 21 ALA H 3.400 . 5.000 4.953 4.832 5.028 0.028 17 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
312 1 18 ASN H 1 21 ALA H 3.400 . 5.000 4.585 4.520 4.671 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
313 1 5 LEU QB 1 9 ALA H 3.900 . 6.000 5.394 4.353 6.031 0.031 39 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
314 1 11 VAL HB 1 15 PRO QD 3.900 . 6.000 4.814 2.424 5.683 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
315 1 11 VAL HA 1 15 PRO QG 3.900 . 6.000 5.243 2.301 6.116 0.116 47 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
316 1 12 ALA MB 1 16 LEU QB 3.400 . 5.000 4.167 2.264 5.062 0.062 34 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
317 1 14 LEU QB 1 18 ASN QB 3.900 . 6.000 4.362 2.306 5.640 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
318 1 15 PRO QG 1 19 VAL QG 3.900 . 6.000 5.383 4.834 5.835 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
319 1 15 PRO QB 1 19 VAL QG 3.400 . 5.000 4.041 3.518 4.462 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
320 1 15 PRO QD 1 19 VAL QG 3.900 . 6.000 5.761 5.526 5.976 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
321 1 16 LEU QB 1 20 ILE H 3.400 . 5.000 4.792 4.528 5.029 0.029 50 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
322 1 17 LEU QD 1 21 ALA MB 3.400 . 5.000 4.137 2.732 4.772 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
323 1 17 LEU HA 1 21 ALA H 2.900 . 4.000 3.837 3.618 4.016 0.016 45 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
324 1 17 LEU HA 1 21 ALA MB 3.400 . 5.000 4.305 3.878 4.588 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
325 1 17 LEU QD 1 21 ALA H 3.900 . 6.000 4.657 3.290 5.324 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
326 1 8 GLY QA 1 13 SER QB 3.900 . 6.000 5.402 2.230 6.147 0.147 8 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
327 1 12 ALA MB 1 17 LEU QD 3.400 . 5.000 4.833 3.919 5.069 0.069 40 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
328 1 12 ALA MB 1 17 LEU H 3.900 . 6.000 5.575 3.884 6.098 0.098 1 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 24
_Distance_constraint_stats_list.Viol_count 48
_Distance_constraint_stats_list.Viol_total 108.535
_Distance_constraint_stats_list.Viol_max 0.180
_Distance_constraint_stats_list.Viol_rms 0.0115
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0018
_Distance_constraint_stats_list.Viol_average_violations_only 0.0452
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 3 GLY 0.040 0.040 20 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 4 LEU 1.864 0.180 41 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 5 LEU 1.864 0.180 41 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 6 SER 0.040 0.040 20 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 7 TYR 1.179 0.145 1 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 8 GLY 0.103 0.055 1 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 9 ALA 0.818 0.180 41 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 11 VAL 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 12 ALA 0.098 0.059 27 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 13 SER 0.168 0.118 45 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 14 LEU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 15 PRO 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 16 LEU 0.168 0.118 45 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 17 LEU 0.168 0.118 45 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 21 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 5 LEU HA 1 6 SER H 2.900 . 4.000 3.357 3.172 3.495 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
2 1 12 ALA MB 1 16 LEU QD 3.400 . 5.000 2.736 1.994 4.076 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
3 1 4 LEU QD 1 7 TYR QD 2.900 . 4.000 2.971 2.279 3.578 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
4 1 4 LEU QD 1 7 TYR QE 2.900 . 4.000 3.831 2.826 4.058 0.058 47 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
5 1 4 LEU QD 1 7 TYR QB 2.900 . 4.000 3.181 2.388 4.055 0.055 47 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
6 1 13 SER H 1 16 LEU QD 3.900 . 6.000 4.612 3.773 6.118 0.118 45 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
7 1 6 SER H 1 8 GLY QA 3.400 . 5.000 4.435 4.170 4.629 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
8 1 12 ALA MB 1 16 LEU QB 2.900 . 4.000 3.389 2.251 3.737 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
9 1 4 LEU HA 1 6 SER H 2.900 . 4.000 3.177 2.417 3.567 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
10 1 5 LEU HA 1 8 GLY QA 3.400 . 5.000 3.836 3.328 4.538 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
11 1 4 LEU QD 1 8 GLY H 3.400 . 5.000 3.816 2.755 4.558 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
12 1 4 LEU QB 1 6 SER QB 3.400 . 5.000 3.747 2.712 4.290 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
13 1 4 LEU QD 1 8 GLY QA 3.900 . 6.000 4.451 2.778 5.901 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
14 1 4 LEU QD 1 6 SER HA 3.400 . 5.000 4.324 2.682 4.997 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
15 1 4 LEU QB 1 6 SER HA 3.400 . 5.000 4.002 3.829 4.357 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
16 1 4 LEU QD 1 9 ALA H 3.400 . 5.000 4.400 2.908 5.180 0.180 41 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
17 1 4 LEU QD 1 7 TYR HA 3.900 . 6.000 5.083 2.261 5.986 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
18 1 14 LEU HA 1 17 LEU QD 3.400 . 5.000 3.142 2.296 4.019 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
19 1 7 TYR QD 1 9 ALA MB 3.900 . 6.000 5.279 2.403 6.059 0.059 27 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
20 1 3 GLY H 1 6 SER H 3.400 . 5.000 4.297 2.818 5.040 0.040 20 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
21 1 4 LEU QD 1 8 GLY H 3.400 . 5.000 4.222 2.784 5.055 0.055 1 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
22 1 4 LEU QB 1 7 TYR QD 3.400 . 5.000 3.924 2.141 4.616 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
23 1 4 LEU QB 1 7 TYR QE 3.900 . 6.000 5.398 2.592 6.145 0.145 1 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
24 1 5 LEU HA 1 7 TYR QB 3.900 . 6.000 4.681 4.005 5.616 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
stop_
save_
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