NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
412905 |
2byf   |
6635 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2byf
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 369
_Distance_constraint_stats_list.Viol_count 479
_Distance_constraint_stats_list.Viol_total 901.365
_Distance_constraint_stats_list.Viol_max 0.438
_Distance_constraint_stats_list.Viol_rms 0.0300
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0061
_Distance_constraint_stats_list.Viol_average_violations_only 0.0941
_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 3 GLU 0.226 0.126 4 0 "[ . 1 . 2]"
1 4 GLU 0.100 0.053 18 0 "[ . 1 . 2]"
1 5 GLU 0.260 0.092 2 0 "[ . 1 . 2]"
1 6 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 7 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 GLN 2.251 0.186 4 0 "[ . 1 . 2]"
1 11 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 VAL 0.404 0.099 15 0 "[ . 1 . 2]"
1 16 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 GLN 0.964 0.174 20 0 "[ . 1 . 2]"
1 19 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 21 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 22 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 24 LYS 0.207 0.048 16 0 "[ . 1 . 2]"
1 26 PRO 0.782 0.062 3 0 "[ . 1 . 2]"
1 27 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 29 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 32 GLN 0.464 0.119 15 0 "[ . 1 . 2]"
1 33 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 34 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 ILE 1.897 0.141 18 0 "[ . 1 . 2]"
1 36 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 37 GLN 3.476 0.324 15 0 "[ . 1 . 2]"
1 38 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 39 LEU 0.589 0.286 8 0 "[ . 1 . 2]"
1 40 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 41 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 43 LYS 1.628 0.189 13 0 "[ . 1 . 2]"
1 44 TYR 0.767 0.179 7 0 "[ . 1 . 2]"
1 48 ILE 0.006 0.006 18 0 "[ . 1 . 2]"
1 49 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 52 PRO 0.467 0.057 18 0 "[ . 1 . 2]"
1 53 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 55 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 56 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 57 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 58 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 59 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 60 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 61 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 62 GLU 6.221 0.438 3 0 "[ . 1 . 2]"
1 63 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 64 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 65 LYS 1.039 0.143 10 0 "[ . 1 . 2]"
1 66 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 67 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 68 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 73 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 74 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 75 PRO 0.863 0.068 14 0 "[ . 1 . 2]"
1 76 LYS 0.568 0.204 4 0 "[ . 1 . 2]"
1 77 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 78 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 79 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 80 ARG 2.511 0.183 12 0 "[ . 1 . 2]"
1 81 VAL 1.049 0.070 13 0 "[ . 1 . 2]"
1 82 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 83 LEU 0.129 0.129 6 0 "[ . 1 . 2]"
1 84 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 85 GLN 3.117 0.194 16 0 "[ . 1 . 2]"
1 86 GLU 0.168 0.059 16 0 "[ . 1 . 2]"
1 87 CYS 1.411 0.119 19 0 "[ . 1 . 2]"
1 88 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 89 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 90 GLN 0.688 0.119 8 0 "[ . 1 . 2]"
1 92 GLN 1.617 0.125 19 0 "[ . 1 . 2]"
1 93 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 94 LYS 1.651 0.121 3 0 "[ . 1 . 2]"
1 95 TRP 1.036 0.098 7 0 "[ . 1 . 2]"
1 96 LYS 0.525 0.111 4 0 "[ . 1 . 2]"
1 97 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 98 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 99 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 100 LYS 3.615 0.264 18 0 "[ . 1 . 2]"
1 101 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 102 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 103 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 104 LYS 1.786 0.166 1 0 "[ . 1 . 2]"
1 105 LEU 0.042 0.027 4 0 "[ . 1 . 2]"
1 106 LYS 2.530 0.135 4 0 "[ . 1 . 2]"
1 107 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 109 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 110 GLN 0.004 0.004 2 0 "[ . 1 . 2]"
1 111 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 112 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 113 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 114 GLU 0.012 0.012 2 0 "[ . 1 . 2]"
1 115 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 116 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 3 GLU H 1 3 GLU HB3 3.500 . 4.000 3.016 2.542 3.930 . 0 0 "[ . 1 . 2]" 1
2 1 3 GLU H 1 3 GLU HB2 3.500 . 4.000 3.535 2.548 3.741 . 0 0 "[ . 1 . 2]" 1
3 1 3 GLU H 1 3 GLU HG3 3.500 . 4.000 3.394 2.885 4.126 0.126 4 0 "[ . 1 . 2]" 1
4 1 3 GLU H 1 3 GLU HG2 4.000 . 5.000 2.254 1.899 2.987 . 0 0 "[ . 1 . 2]" 1
5 1 4 GLU H 1 4 GLU HA 2.500 . 3.000 2.866 2.555 2.938 . 0 0 "[ . 1 . 2]" 1
6 1 4 GLU H 1 4 GLU QB 2.500 . 3.000 2.565 2.125 3.036 0.036 2 0 "[ . 1 . 2]" 1
7 1 4 GLU H 1 4 GLU HG3 3.500 . 4.000 3.276 1.989 4.053 0.053 18 0 "[ . 1 . 2]" 1
8 1 4 GLU H 1 4 GLU HG2 3.500 . 4.000 2.968 1.914 4.005 0.005 6 0 "[ . 1 . 2]" 1
9 1 5 GLU H 1 5 GLU HA 3.000 . 3.500 2.933 2.910 2.939 . 0 0 "[ . 1 . 2]" 1
10 1 5 GLU H 1 5 GLU HB3 3.000 . 3.500 2.981 2.455 3.592 0.092 2 0 "[ . 1 . 2]" 1
11 1 5 GLU H 1 5 GLU QG 3.500 . 4.000 2.870 1.786 4.045 0.045 8 0 "[ . 1 . 2]" 1
12 1 6 SER H 1 6 SER QB 3.500 . 4.000 2.974 2.536 3.257 . 0 0 "[ . 1 . 2]" 1
13 1 7 PHE H 1 7 PHE HB3 4.000 . 5.000 2.803 2.571 3.091 . 0 0 "[ . 1 . 2]" 1
14 1 7 PHE H 1 7 PHE HB2 4.000 . 5.000 3.786 3.673 3.950 . 0 0 "[ . 1 . 2]" 1
15 1 7 PHE H 1 7 PHE QD 4.000 . 5.000 2.417 2.027 2.803 . 0 0 "[ . 1 . 2]" 1
16 1 7 PHE HA 1 7 PHE QD 4.000 . 5.000 3.712 3.691 3.740 . 0 0 "[ . 1 . 2]" 1
17 1 8 PHE HA 1 8 PHE QD 4.000 . 5.000 2.771 2.598 3.092 . 0 0 "[ . 1 . 2]" 1
18 1 8 PHE HA 1 8 PHE QE 4.500 . 5.500 4.500 4.408 4.673 . 0 0 "[ . 1 . 2]" 1
19 1 8 PHE H 1 8 PHE HB3 3.500 . 4.000 3.614 3.585 3.649 . 0 0 "[ . 1 . 2]" 1
20 1 8 PHE H 1 8 PHE HB2 3.500 . 4.000 2.368 2.321 2.452 . 0 0 "[ . 1 . 2]" 1
21 1 8 PHE H 1 8 PHE QD 4.500 . 5.500 2.792 2.292 2.986 . 0 0 "[ . 1 . 2]" 1
22 1 9 VAL H 1 9 VAL HB 4.000 . 5.000 2.868 2.689 3.071 . 0 0 "[ . 1 . 2]" 1
23 1 9 VAL H 1 9 VAL MG1 4.000 . 5.000 3.907 3.858 3.949 . 0 0 "[ . 1 . 2]" 1
24 1 9 VAL H 1 9 VAL MG2 4.000 . 5.000 2.408 2.264 2.565 . 0 0 "[ . 1 . 2]" 1
25 1 9 VAL HA 1 9 VAL MG1 3.500 . 4.000 2.249 2.175 2.319 . 0 0 "[ . 1 . 2]" 1
26 1 9 VAL HA 1 9 VAL MG2 3.500 . 4.000 2.591 2.460 2.738 . 0 0 "[ . 1 . 2]" 1
27 1 10 GLN HA 1 10 GLN HG3 3.500 . 4.000 3.095 2.392 4.186 0.186 4 0 "[ . 1 . 2]" 1
28 1 10 GLN HA 1 10 GLN HG2 3.500 . 4.000 2.820 2.463 3.734 . 0 0 "[ . 1 . 2]" 1
29 1 10 GLN H 1 10 GLN HB3 3.000 . 3.500 3.462 2.474 3.653 0.153 10 0 "[ . 1 . 2]" 1
30 1 10 GLN H 1 10 GLN HB2 4.000 . 5.000 2.627 2.302 3.842 . 0 0 "[ . 1 . 2]" 1
31 1 10 GLN H 1 10 GLN HG3 4.000 . 5.000 3.064 2.396 4.598 . 0 0 "[ . 1 . 2]" 1
32 1 10 GLN H 1 10 GLN HG2 4.000 . 5.000 3.818 3.043 4.440 . 0 0 "[ . 1 . 2]" 1
33 1 11 VAL H 1 11 VAL HB 4.000 . 5.000 3.547 3.011 3.872 . 0 0 "[ . 1 . 2]" 1
34 1 11 VAL H 1 11 VAL MG1 4.000 . 5.000 2.256 2.053 3.848 . 0 0 "[ . 1 . 2]" 1
35 1 11 VAL H 1 11 VAL MG2 4.500 . 5.500 3.406 2.009 3.856 . 0 0 "[ . 1 . 2]" 1
36 1 11 VAL HA 1 11 VAL MG1 3.500 . 4.000 2.987 2.174 3.193 . 0 0 "[ . 1 . 2]" 1
37 1 11 VAL HA 1 11 VAL MG2 3.000 . 3.500 2.755 2.531 3.159 . 0 0 "[ . 1 . 2]" 1
38 1 12 HIS H 1 12 HIS HD2 4.000 . 5.000 2.948 2.515 3.244 . 0 0 "[ . 1 . 2]" 1
39 1 13 ASP H 1 13 ASP HB3 4.000 . 5.000 2.800 2.394 4.134 . 0 0 "[ . 1 . 2]" 1
40 1 13 ASP H 1 13 ASP HB2 4.000 . 5.000 3.028 2.496 3.734 . 0 0 "[ . 1 . 2]" 1
41 1 14 VAL H 1 14 VAL HB 3.000 . 3.500 2.873 2.562 3.599 0.099 15 0 "[ . 1 . 2]" 1
42 1 14 VAL H 1 14 VAL QG 4.000 . 5.000 2.132 1.775 2.856 0.025 1 0 "[ . 1 . 2]" 1
43 1 16 PRO HB3 1 16 PRO QD 3.500 . 4.000 3.141 2.894 3.524 . 0 0 "[ . 1 . 2]" 1
44 1 16 PRO HA 1 16 PRO QD 4.000 . 5.000 3.464 3.327 3.542 . 0 0 "[ . 1 . 2]" 1
45 1 18 GLN HA 1 18 GLN HG3 3.000 . 3.500 3.246 2.770 3.674 0.174 20 0 "[ . 1 . 2]" 1
46 1 18 GLN HA 1 18 GLN HG2 3.500 . 4.000 3.247 2.453 3.823 . 0 0 "[ . 1 . 2]" 1
47 1 19 PRO HB2 1 19 PRO HD2 4.000 . 5.000 3.084 2.934 4.056 . 0 0 "[ . 1 . 2]" 1
48 1 19 PRO HB2 1 19 PRO HD3 4.000 . 5.000 3.893 3.859 4.003 . 0 0 "[ . 1 . 2]" 1
49 1 20 LEU HA 1 20 LEU MD2 4.500 . 5.500 3.754 1.848 3.934 . 0 0 "[ . 1 . 2]" 1
50 1 20 LEU HA 1 20 LEU HG 3.500 . 4.000 3.097 2.526 3.300 . 0 0 "[ . 1 . 2]" 1
51 1 20 LEU HA 1 20 LEU MD1 4.000 . 5.000 2.235 1.987 3.767 . 0 0 "[ . 1 . 2]" 1
52 1 21 THR HA 1 21 THR MG 3.000 . 3.500 2.380 2.229 2.615 . 0 0 "[ . 1 . 2]" 1
53 1 22 VAL H 1 22 VAL HB 3.500 . 4.000 2.693 2.558 2.929 . 0 0 "[ . 1 . 2]" 1
54 1 23 ILE H 1 23 ILE HB 3.500 . 4.000 3.741 3.673 3.796 . 0 0 "[ . 1 . 2]" 1
55 1 23 ILE H 1 23 ILE HG13 4.000 . 5.000 2.672 2.505 2.843 . 0 0 "[ . 1 . 2]" 1
56 1 23 ILE H 1 23 ILE HG12 4.000 . 5.000 2.259 2.105 2.406 . 0 0 "[ . 1 . 2]" 1
57 1 23 ILE H 1 23 ILE MG 4.000 . 5.000 3.201 3.061 3.436 . 0 0 "[ . 1 . 2]" 1
58 1 23 ILE HA 1 23 ILE MD 4.000 . 5.000 4.180 4.159 4.191 . 0 0 "[ . 1 . 2]" 1
59 1 23 ILE HA 1 23 ILE HG13 4.000 . 5.000 3.739 3.712 3.764 . 0 0 "[ . 1 . 2]" 1
60 1 23 ILE HA 1 23 ILE HG12 4.000 . 4.000 3.668 3.566 3.725 . 0 0 "[ . 1 . 2]" 1
61 1 23 ILE HA 1 23 ILE MG 3.500 . 4.000 2.250 2.185 2.300 . 0 0 "[ . 1 . 2]" 1
62 1 23 ILE HB 1 23 ILE MD 3.000 . 3.500 2.406 2.371 2.433 . 0 0 "[ . 1 . 2]" 1
63 1 24 LYS HA 1 24 LYS QD 3.500 . 4.000 4.003 3.949 4.048 0.048 16 0 "[ . 1 . 2]" 1
64 1 24 LYS HA 1 24 LYS HG3 3.500 . 4.000 2.581 2.380 2.802 . 0 0 "[ . 1 . 2]" 1
65 1 24 LYS HA 1 24 LYS HG2 3.500 . 4.000 2.637 2.484 2.841 . 0 0 "[ . 1 . 2]" 1
66 1 24 LYS HB3 1 24 LYS QD 3.000 . 3.500 2.359 2.167 2.928 . 0 0 "[ . 1 . 2]" 1
67 1 24 LYS HB3 1 24 LYS QE 4.000 . 5.000 3.657 1.875 4.147 . 0 0 "[ . 1 . 2]" 1
68 1 24 LYS H 1 24 LYS HB3 3.500 . 4.000 2.911 2.707 3.066 . 0 0 "[ . 1 . 2]" 1
69 1 24 LYS H 1 24 LYS HB2 3.000 . 3.500 2.721 2.407 2.965 . 0 0 "[ . 1 . 2]" 1
70 1 24 LYS H 1 24 LYS HG3 4.000 . 5.000 4.556 4.302 4.729 . 0 0 "[ . 1 . 2]" 1
71 1 26 PRO HA 1 26 PRO HG3 3.500 . 4.000 3.452 3.307 3.589 . 0 0 "[ . 1 . 2]" 1
72 1 26 PRO HB2 1 26 PRO HD3 4.000 . 5.000 4.024 3.974 4.061 . 0 0 "[ . 1 . 2]" 1
73 1 26 PRO HB2 1 26 PRO HD2 4.000 . 5.000 3.300 3.187 3.396 . 0 0 "[ . 1 . 2]" 1
74 1 26 PRO HA 1 26 PRO HD3 4.000 . 5.000 3.835 3.764 3.910 . 0 0 "[ . 1 . 2]" 1
75 1 26 PRO HB3 1 26 PRO HD3 3.500 . 4.000 3.865 3.813 3.911 . 0 0 "[ . 1 . 2]" 1
76 1 26 PRO HB3 1 26 PRO HD2 4.000 . 5.000 3.939 3.917 3.953 . 0 0 "[ . 1 . 2]" 1
77 1 26 PRO HA 1 26 PRO HD2 4.000 . 5.000 3.929 3.913 3.941 . 0 0 "[ . 1 . 2]" 1
78 1 26 PRO HA 1 26 PRO HG2 3.500 . 4.000 4.039 4.011 4.062 0.062 3 0 "[ . 1 . 2]" 1
79 1 27 ARG HA 1 27 ARG HG3 3.500 . 4.000 3.096 2.961 3.397 . 0 0 "[ . 1 . 2]" 1
80 1 27 ARG HA 1 27 ARG HD3 4.000 . 5.000 4.503 4.139 4.689 . 0 0 "[ . 1 . 2]" 1
81 1 27 ARG HA 1 27 ARG HG2 4.000 . 5.000 2.492 2.312 2.597 . 0 0 "[ . 1 . 2]" 1
82 1 27 ARG HB3 1 27 ARG HD3 3.000 . 3.500 2.800 2.329 3.194 . 0 0 "[ . 1 . 2]" 1
83 1 27 ARG HB3 1 27 ARG HD2 3.500 . 4.000 3.461 2.853 3.784 . 0 0 "[ . 1 . 2]" 1
84 1 27 ARG HB2 1 27 ARG HD3 3.500 . 4.000 2.720 2.409 3.246 . 0 0 "[ . 1 . 2]" 1
85 1 27 ARG HB2 1 27 ARG HD2 3.500 . 4.000 3.284 2.403 3.739 . 0 0 "[ . 1 . 2]" 1
86 1 27 ARG H 1 27 ARG HB3 4.000 . 5.000 3.590 3.569 3.622 . 0 0 "[ . 1 . 2]" 1
87 1 27 ARG H 1 27 ARG HB2 4.000 . 5.000 2.499 2.392 2.646 . 0 0 "[ . 1 . 2]" 1
88 1 27 ARG H 1 27 ARG HG3 4.000 . 5.000 2.178 1.962 2.451 . 0 0 "[ . 1 . 2]" 1
89 1 28 VAL H 1 28 VAL HB 3.500 . 4.000 3.591 2.565 3.767 . 0 0 "[ . 1 . 2]" 1
90 1 28 VAL H 1 28 VAL QG 3.500 . 4.000 1.954 1.852 2.046 . 0 0 "[ . 1 . 2]" 1
91 1 28 VAL HA 1 28 VAL MG1 3.000 . 3.500 2.486 2.320 3.212 . 0 0 "[ . 1 . 2]" 1
92 1 28 VAL HA 1 28 VAL MG2 3.500 . 4.000 3.095 2.402 3.216 . 0 0 "[ . 1 . 2]" 1
93 1 29 SER H 1 29 SER QB 3.500 . 4.000 2.455 2.193 2.514 . 0 0 "[ . 1 . 2]" 1
94 1 29 SER H 1 29 SER HG 4.000 . 5.000 2.344 2.135 3.124 . 0 0 "[ . 1 . 2]" 1
95 1 30 THR H 1 30 THR HG1 4.000 . 5.000 3.894 2.123 4.440 . 0 0 "[ . 1 . 2]" 1
96 1 30 THR H 1 30 THR MG 4.500 . 5.500 2.009 1.836 2.303 . 0 0 "[ . 1 . 2]" 1
97 1 30 THR HA 1 30 THR MG 3.500 . 4.000 3.017 2.456 3.204 . 0 0 "[ . 1 . 2]" 1
98 1 32 GLN HA 1 32 GLN HE21 4.000 . 5.000 2.567 1.966 3.852 . 0 0 "[ . 1 . 2]" 1
99 1 32 GLN HA 1 32 GLN HE22 4.000 . 5.000 3.864 3.295 5.014 0.014 15 0 "[ . 1 . 2]" 1
100 1 32 GLN QB 1 32 GLN HE21 4.000 . 5.000 2.708 1.681 3.517 0.119 15 0 "[ . 1 . 2]" 1
101 1 32 GLN QB 1 32 GLN HE22 4.000 . 5.000 3.702 3.174 4.204 . 0 0 "[ . 1 . 2]" 1
102 1 32 GLN H 1 32 GLN QB 3.000 . 3.500 2.135 2.002 2.522 . 0 0 "[ . 1 . 2]" 1
103 1 32 GLN HE22 1 32 GLN QG 3.500 . 4.000 3.387 3.263 3.494 . 0 0 "[ . 1 . 2]" 1
104 1 32 GLN H 1 32 GLN QG 4.000 . 5.000 3.284 2.153 3.940 . 0 0 "[ . 1 . 2]" 1
105 1 32 GLN HA 1 32 GLN QG 3.000 . 3.500 2.607 2.258 3.492 . 0 0 "[ . 1 . 2]" 1
106 1 33 ASP H 1 33 ASP HB3 3.500 . 4.000 3.566 3.510 3.619 . 0 0 "[ . 1 . 2]" 1
107 1 33 ASP H 1 33 ASP HB2 4.000 . 5.000 2.306 2.207 2.428 . 0 0 "[ . 1 . 2]" 1
108 1 34 VAL H 1 34 VAL HB 3.500 . 4.000 2.262 2.194 2.314 . 0 0 "[ . 1 . 2]" 1
109 1 34 VAL H 1 34 VAL MG1 4.000 . 5.000 2.335 2.180 2.462 . 0 0 "[ . 1 . 2]" 1
110 1 34 VAL H 1 34 VAL MG2 3.500 . 4.000 3.640 3.606 3.668 . 0 0 "[ . 1 . 2]" 1
111 1 34 VAL HA 1 34 VAL MG1 3.000 . 3.500 3.179 3.154 3.196 . 0 0 "[ . 1 . 2]" 1
112 1 34 VAL HA 1 34 VAL MG2 3.500 . 4.000 2.187 2.142 2.233 . 0 0 "[ . 1 . 2]" 1
113 1 35 ILE HA 1 35 ILE HG13 3.000 . 3.500 3.462 2.808 3.641 0.141 18 0 "[ . 1 . 2]" 1
114 1 35 ILE HA 1 35 ILE HG12 3.000 . 3.500 2.637 2.458 2.985 . 0 0 "[ . 1 . 2]" 1
115 1 35 ILE HA 1 35 ILE MG 3.000 . 3.500 2.639 2.608 2.678 . 0 0 "[ . 1 . 2]" 1
116 1 35 ILE HA 1 35 ILE MD 4.500 . 5.500 2.380 1.821 3.802 . 0 0 "[ . 1 . 2]" 1
117 1 35 ILE HB 1 35 ILE MD 3.000 . 3.500 3.056 2.453 3.218 . 0 0 "[ . 1 . 2]" 1
118 1 35 ILE H 1 35 ILE HB 3.500 . 4.000 2.279 2.245 2.327 . 0 0 "[ . 1 . 2]" 1
119 1 36 GLN H 1 36 GLN QB 3.000 . 3.500 2.242 2.159 2.486 . 0 0 "[ . 1 . 2]" 1
120 1 36 GLN H 1 36 GLN HG3 4.000 . 5.000 4.238 2.126 4.530 . 0 0 "[ . 1 . 2]" 1
121 1 36 GLN H 1 36 GLN HG2 4.000 . 5.000 4.336 3.484 4.597 . 0 0 "[ . 1 . 2]" 1
122 1 37 GLN H 1 37 GLN QB 2.500 . 3.000 2.176 2.145 2.214 . 0 0 "[ . 1 . 2]" 1
123 1 37 GLN H 1 37 GLN HG3 3.500 . 4.000 4.166 3.851 4.324 0.324 15 0 "[ . 1 . 2]" 1
124 1 37 GLN H 1 37 GLN HG2 4.000 . 5.000 4.482 4.103 4.536 . 0 0 "[ . 1 . 2]" 1
125 1 37 GLN HA 1 37 GLN HG3 3.500 . 4.000 2.507 2.194 3.094 . 0 0 "[ . 1 . 2]" 1
126 1 37 GLN HA 1 37 GLN HG2 3.500 . 4.000 3.230 2.674 3.874 . 0 0 "[ . 1 . 2]" 1
127 1 38 THR HA 1 38 THR MG 3.000 . 3.500 2.334 2.306 2.356 . 0 0 "[ . 1 . 2]" 1
128 1 38 THR H 1 38 THR HB 3.000 . 3.500 2.627 2.586 2.673 . 0 0 "[ . 1 . 2]" 1
129 1 38 THR H 1 38 THR MG 4.500 . 5.500 3.769 3.754 3.791 . 0 0 "[ . 1 . 2]" 1
130 1 39 LEU H 1 39 LEU HB3 4.000 . 5.000 3.433 2.329 3.604 . 0 0 "[ . 1 . 2]" 1
131 1 39 LEU H 1 39 LEU HB2 3.500 . 4.000 2.211 2.136 2.608 . 0 0 "[ . 1 . 2]" 1
132 1 39 LEU H 1 39 LEU HG 3.500 . 4.000 3.900 2.104 4.286 0.286 8 0 "[ . 1 . 2]" 1
133 1 39 LEU HA 1 39 LEU MD1 3.500 . 4.000 2.519 2.084 3.928 . 0 0 "[ . 1 . 2]" 1
134 1 39 LEU HA 1 39 LEU MD2 4.500 . 5.500 3.695 2.290 3.850 . 0 0 "[ . 1 . 2]" 1
135 1 39 LEU HB3 1 39 LEU MD2 3.000 . 3.500 2.287 2.207 2.359 . 0 0 "[ . 1 . 2]" 1
136 1 39 LEU HA 1 39 LEU QD 3.500 . 4.000 2.406 2.075 2.648 . 0 0 "[ . 1 . 2]" 1
137 1 39 LEU HA 1 39 LEU HG 3.500 . 4.000 2.513 2.320 3.155 . 0 0 "[ . 1 . 2]" 1
138 1 40 CYS H 1 40 CYS QB 3.500 . 4.000 2.299 2.170 2.520 . 0 0 "[ . 1 . 2]" 1
139 1 41 LYS H 1 41 LYS QB 3.000 . 3.500 2.263 2.152 2.499 . 0 0 "[ . 1 . 2]" 1
140 1 41 LYS H 1 41 LYS QD 4.000 . 5.000 4.153 3.277 4.757 . 0 0 "[ . 1 . 2]" 1
141 1 41 LYS H 1 41 LYS QG 4.000 . 5.000 3.399 2.168 4.040 . 0 0 "[ . 1 . 2]" 1
142 1 43 LYS HA 1 43 LYS QD 3.500 . 4.000 3.811 2.036 4.189 0.189 13 0 "[ . 1 . 2]" 1
143 1 43 LYS HA 1 43 LYS HG2 4.000 . 5.000 3.408 2.351 4.218 . 0 0 "[ . 1 . 2]" 1
144 1 44 TYR HA 1 44 TYR QD 3.000 . 3.500 2.895 2.327 3.679 0.179 7 0 "[ . 1 . 2]" 1
145 1 44 TYR HB3 1 44 TYR QD 3.000 . 3.500 2.471 2.309 2.671 . 0 0 "[ . 1 . 2]" 1
146 1 44 TYR HA 1 44 TYR QE 4.500 . 5.500 4.757 4.488 5.619 0.119 7 0 "[ . 1 . 2]" 1
147 1 44 TYR H 1 44 TYR HB3 4.000 . 5.000 3.910 3.132 4.134 . 0 0 "[ . 1 . 2]" 1
148 1 44 TYR H 1 44 TYR HB2 4.000 . 5.000 3.473 2.697 4.108 . 0 0 "[ . 1 . 2]" 1
149 1 44 TYR H 1 44 TYR QD 4.500 . 5.500 3.484 2.457 4.230 . 0 0 "[ . 1 . 2]" 1
150 1 48 ILE HA 1 48 ILE MD 4.000 . 5.000 2.545 1.794 3.794 0.006 18 0 "[ . 1 . 2]" 1
151 1 48 ILE HA 1 48 ILE MG 3.000 . 3.500 2.621 2.367 3.203 . 0 0 "[ . 1 . 2]" 1
152 1 49 LEU HA 1 49 LEU MD1 4.000 . 5.000 2.656 1.971 3.905 . 0 0 "[ . 1 . 2]" 1
153 1 52 PRO HA 1 52 PRO HG2 3.500 . 4.000 3.901 3.862 4.057 0.057 18 0 "[ . 1 . 2]" 1
154 1 52 PRO HA 1 52 PRO HD2 4.000 . 5.000 4.046 3.900 4.093 . 0 0 "[ . 1 . 2]" 1
155 1 52 PRO HB2 1 52 PRO HD3 4.000 . 5.000 4.010 3.956 4.119 . 0 0 "[ . 1 . 2]" 1
156 1 52 PRO HB2 1 52 PRO HD2 4.000 . 5.000 3.905 3.086 4.015 . 0 0 "[ . 1 . 2]" 1
157 1 52 PRO HA 1 52 PRO HG3 3.500 . 4.000 3.987 3.366 4.040 0.040 6 0 "[ . 1 . 2]" 1
158 1 53 ASN H 1 53 ASN HB3 4.000 . 5.000 3.018 2.577 3.760 . 0 0 "[ . 1 . 2]" 1
159 1 53 ASN H 1 53 ASN HB2 4.000 . 5.000 3.637 2.693 3.931 . 0 0 "[ . 1 . 2]" 1
160 1 55 SER H 1 55 SER QB 3.000 . 3.500 2.588 2.285 2.807 . 0 0 "[ . 1 . 2]" 1
161 1 56 ASP H 1 56 ASP HB3 3.500 . 4.000 3.617 3.102 3.777 . 0 0 "[ . 1 . 2]" 1
162 1 56 ASP H 1 56 ASP HB2 3.500 . 4.000 2.588 2.312 3.512 . 0 0 "[ . 1 . 2]" 1
163 1 57 TYR H 1 57 TYR QB 3.000 . 3.500 2.437 2.315 2.551 . 0 0 "[ . 1 . 2]" 1
164 1 57 TYR H 1 57 TYR QD 4.000 . 5.000 2.610 2.302 2.922 . 0 0 "[ . 1 . 2]" 1
165 1 57 TYR H 1 57 TYR QE 4.500 . 5.500 4.863 4.603 5.120 . 0 0 "[ . 1 . 2]" 1
166 1 57 TYR HA 1 57 TYR QD 4.000 . 5.000 3.143 3.006 3.230 . 0 0 "[ . 1 . 2]" 1
167 1 58 VAL HA 1 58 VAL MG2 3.000 . 3.500 3.159 3.125 3.187 . 0 0 "[ . 1 . 2]" 1
168 1 58 VAL H 1 58 VAL HB 4.000 . 5.000 3.712 3.561 3.788 . 0 0 "[ . 1 . 2]" 1
169 1 58 VAL H 1 58 VAL MG1 4.000 . 5.000 3.454 3.163 3.683 . 0 0 "[ . 1 . 2]" 1
170 1 58 VAL H 1 58 VAL MG2 4.000 . 5.000 2.193 1.913 2.318 . 0 0 "[ . 1 . 2]" 1
171 1 59 LEU H 1 59 LEU QB 3.500 . 4.000 2.432 2.294 2.661 . 0 0 "[ . 1 . 2]" 1
172 1 59 LEU H 1 59 LEU QD 4.500 . 5.500 3.813 3.675 3.970 . 0 0 "[ . 1 . 2]" 1
173 1 59 LEU HA 1 59 LEU QD 3.500 . 4.000 2.095 1.924 2.295 . 0 0 "[ . 1 . 2]" 1
174 1 60 LEU HA 1 60 LEU MD1 3.500 . 4.000 2.242 2.149 2.435 . 0 0 "[ . 1 . 2]" 1
175 1 60 LEU HA 1 60 LEU HG 3.500 . 4.000 3.812 3.779 3.859 . 0 0 "[ . 1 . 2]" 1
176 1 60 LEU H 1 60 LEU HB3 3.500 . 4.000 3.620 3.601 3.658 . 0 0 "[ . 1 . 2]" 1
177 1 60 LEU H 1 60 LEU HB2 3.500 . 4.000 2.403 2.371 2.465 . 0 0 "[ . 1 . 2]" 1
178 1 60 LEU H 1 60 LEU QD 4.500 . 5.500 2.382 2.245 2.493 . 0 0 "[ . 1 . 2]" 1
179 1 61 GLU H 1 61 GLU HB3 4.000 . 5.000 2.750 2.679 2.908 . 0 0 "[ . 1 . 2]" 1
180 1 61 GLU H 1 61 GLU HB2 4.000 . 5.000 3.713 3.676 3.780 . 0 0 "[ . 1 . 2]" 1
181 1 61 GLU H 1 61 GLU QG 4.000 . 5.000 2.308 2.255 2.414 . 0 0 "[ . 1 . 2]" 1
182 1 61 GLU HA 1 61 GLU HG3 3.500 . 4.000 3.712 3.667 3.751 . 0 0 "[ . 1 . 2]" 1
183 1 61 GLU HA 1 61 GLU HG2 3.500 . 4.000 3.850 3.803 3.887 . 0 0 "[ . 1 . 2]" 1
184 1 61 GLU HA 1 61 GLU QG 3.500 . 4.000 3.364 3.353 3.379 . 0 0 "[ . 1 . 2]" 1
185 1 62 GLU HA 1 62 GLU HG3 3.500 . 4.000 2.843 2.477 3.537 . 0 0 "[ . 1 . 2]" 1
186 1 62 GLU HA 1 62 GLU HG2 3.000 . 3.500 2.562 2.379 2.712 . 0 0 "[ . 1 . 2]" 1
187 1 62 GLU H 1 62 GLU HB2 3.500 . 4.000 2.387 2.264 2.610 . 0 0 "[ . 1 . 2]" 1
188 1 62 GLU H 1 62 GLU HG3 3.500 . 4.000 4.311 4.212 4.438 0.438 3 0 "[ . 1 . 2]" 1
189 1 63 VAL H 1 63 VAL HB 3.000 . 3.500 3.346 3.234 3.420 . 0 0 "[ . 1 . 2]" 1
190 1 63 VAL H 1 63 VAL MG1 4.500 . 5.500 1.981 1.851 2.041 . 0 0 "[ . 1 . 2]" 1
191 1 63 VAL H 1 63 VAL MG2 4.500 . 5.500 3.694 3.648 3.737 . 0 0 "[ . 1 . 2]" 1
192 1 63 VAL HA 1 63 VAL MG1 3.500 . 4.000 3.153 3.132 3.173 . 0 0 "[ . 1 . 2]" 1
193 1 63 VAL HA 1 63 VAL MG2 3.000 . 3.500 2.581 2.547 2.624 . 0 0 "[ . 1 . 2]" 1
194 1 64 VAL HA 1 64 VAL QG 3.000 . 3.500 2.133 2.119 2.142 . 0 0 "[ . 1 . 2]" 1
195 1 64 VAL H 1 64 VAL HB 3.500 . 4.000 2.529 2.457 2.592 . 0 0 "[ . 1 . 2]" 1
196 1 64 VAL H 1 64 VAL QG 4.000 . 5.000 2.158 2.020 2.233 . 0 0 "[ . 1 . 2]" 1
197 1 65 LYS H 1 65 LYS HB3 3.000 . 3.500 3.350 2.270 3.643 0.143 10 0 "[ . 1 . 2]" 1
198 1 65 LYS H 1 65 LYS HB2 3.500 . 4.000 2.903 2.307 3.833 . 0 0 "[ . 1 . 2]" 1
199 1 65 LYS H 1 65 LYS QG 3.500 . 4.000 2.727 1.779 3.737 0.021 16 0 "[ . 1 . 2]" 1
200 1 66 ASP H 1 66 ASP QB 3.500 . 4.000 2.470 2.102 2.691 . 0 0 "[ . 1 . 2]" 1
201 1 67 THR H 1 67 THR HB 3.500 . 4.000 3.158 2.600 3.599 . 0 0 "[ . 1 . 2]" 1
202 1 67 THR H 1 67 THR MG 4.500 . 5.500 2.348 1.855 3.882 . 0 0 "[ . 1 . 2]" 1
203 1 68 THR HA 1 68 THR MG 3.500 . 4.000 2.358 2.217 3.218 . 0 0 "[ . 1 . 2]" 1
204 1 73 THR H 1 73 THR MG 4.500 . 5.500 3.127 1.994 4.035 . 0 0 "[ . 1 . 2]" 1
205 1 74 THR H 1 74 THR HB 4.000 . 5.000 3.647 3.531 3.825 . 0 0 "[ . 1 . 2]" 1
206 1 74 THR H 1 74 THR MG 4.500 . 5.500 2.751 2.149 3.401 . 0 0 "[ . 1 . 2]" 1
207 1 74 THR HA 1 74 THR MG 3.500 . 4.000 2.288 2.202 2.350 . 0 0 "[ . 1 . 2]" 1
208 1 75 PRO HA 1 75 PRO HD3 4.000 . 5.000 3.726 3.616 3.863 . 0 0 "[ . 1 . 2]" 1
209 1 75 PRO HA 1 75 PRO HD2 3.500 . 4.000 3.926 3.890 3.953 . 0 0 "[ . 1 . 2]" 1
210 1 75 PRO HA 1 75 PRO QG 3.000 . 3.500 2.924 2.800 3.098 . 0 0 "[ . 1 . 2]" 1
211 1 75 PRO HB3 1 75 PRO HD3 3.500 . 4.000 4.043 4.023 4.068 0.068 14 0 "[ . 1 . 2]" 1
212 1 75 PRO HB2 1 75 PRO HD3 4.000 . 5.000 3.867 3.830 3.919 . 0 0 "[ . 1 . 2]" 1
213 1 75 PRO HB3 1 75 PRO HD2 3.500 . 4.000 3.882 3.825 3.920 . 0 0 "[ . 1 . 2]" 1
214 1 75 PRO HB2 1 75 PRO HD2 3.500 . 4.000 2.940 2.838 3.020 . 0 0 "[ . 1 . 2]" 1
215 1 76 LYS H 1 76 LYS HA 2.500 . 3.000 2.926 2.868 2.949 . 0 0 "[ . 1 . 2]" 1
216 1 76 LYS H 1 76 LYS HB2 4.000 . 5.000 2.765 2.176 3.732 . 0 0 "[ . 1 . 2]" 1
217 1 76 LYS H 1 76 LYS HG3 3.500 . 4.000 3.385 2.805 4.204 0.204 4 0 "[ . 1 . 2]" 1
218 1 77 SER H 1 77 SER QB 3.500 . 4.000 2.750 2.419 3.148 . 0 0 "[ . 1 . 2]" 1
219 1 78 SER H 1 78 SER QB 3.500 . 4.000 2.435 2.268 2.570 . 0 0 "[ . 1 . 2]" 1
220 1 79 GLN H 1 79 GLN HB3 2.500 . 3.000 2.661 2.560 2.830 . 0 0 "[ . 1 . 2]" 1
221 1 79 GLN H 1 79 GLN HB2 3.000 . 3.500 2.579 2.384 2.704 . 0 0 "[ . 1 . 2]" 1
222 1 79 GLN H 1 79 GLN HG3 4.000 . 5.000 4.481 4.317 4.559 . 0 0 "[ . 1 . 2]" 1
223 1 79 GLN H 1 79 GLN HG2 4.000 . 5.000 4.508 4.452 4.574 . 0 0 "[ . 1 . 2]" 1
224 1 79 GLN HA 1 79 GLN HG3 3.000 . 3.500 2.527 2.445 2.690 . 0 0 "[ . 1 . 2]" 1
225 1 79 GLN HA 1 79 GLN HG2 3.500 . 4.000 2.858 2.752 3.060 . 0 0 "[ . 1 . 2]" 1
226 1 80 ARG HA 1 80 ARG HD2 4.000 . 5.000 4.254 2.815 4.632 . 0 0 "[ . 1 . 2]" 1
227 1 80 ARG HB3 1 80 ARG HD2 3.500 . 4.000 2.894 2.391 4.171 0.171 8 0 "[ . 1 . 2]" 1
228 1 80 ARG HB2 1 80 ARG HD2 3.500 . 4.000 3.051 2.442 3.772 . 0 0 "[ . 1 . 2]" 1
229 1 80 ARG HA 1 80 ARG HD3 4.000 . 5.000 4.089 2.232 4.895 . 0 0 "[ . 1 . 2]" 1
230 1 80 ARG H 1 80 ARG HB3 2.500 . 3.000 2.719 2.601 2.967 . 0 0 "[ . 1 . 2]" 1
231 1 80 ARG H 1 80 ARG HB2 2.500 . 3.000 2.920 2.753 3.031 0.031 20 0 "[ . 1 . 2]" 1
232 1 80 ARG H 1 80 ARG QG 3.500 . 4.000 4.110 4.039 4.183 0.183 12 0 "[ . 1 . 2]" 1
233 1 81 VAL H 1 81 VAL HB 2.500 . 3.000 3.052 3.030 3.070 0.070 13 0 "[ . 1 . 2]" 1
234 1 81 VAL H 1 81 VAL QG 4.000 . 5.000 2.001 1.789 2.176 0.011 4 0 "[ . 1 . 2]" 1
235 1 81 VAL HA 1 81 VAL MG1 3.000 . 3.500 2.173 2.154 2.189 . 0 0 "[ . 1 . 2]" 1
236 1 82 LEU HA 1 82 LEU HG 3.000 . 3.500 3.073 2.928 3.247 . 0 0 "[ . 1 . 2]" 1
237 1 82 LEU HA 1 82 LEU MD1 3.500 . 4.000 3.920 3.889 3.952 . 0 0 "[ . 1 . 2]" 1
238 1 82 LEU HA 1 82 LEU MD2 3.000 . 3.500 2.282 2.134 2.427 . 0 0 "[ . 1 . 2]" 1
239 1 82 LEU H 1 82 LEU QB 3.500 . 4.000 2.505 2.417 2.592 . 0 0 "[ . 1 . 2]" 1
240 1 82 LEU H 1 82 LEU MD1 4.500 . 5.500 3.439 3.201 3.731 . 0 0 "[ . 1 . 2]" 1
241 1 82 LEU H 1 82 LEU MD2 4.000 . 5.000 3.605 3.286 3.857 . 0 0 "[ . 1 . 2]" 1
242 1 83 LEU H 1 83 LEU HA 3.000 . 3.500 2.905 2.859 2.947 . 0 0 "[ . 1 . 2]" 1
243 1 83 LEU H 1 83 LEU QB 2.500 . 3.000 2.397 2.240 2.677 . 0 0 "[ . 1 . 2]" 1
244 1 83 LEU H 1 83 LEU QD 4.500 . 5.500 2.587 1.958 3.927 . 0 0 "[ . 1 . 2]" 1
245 1 83 LEU HA 1 83 LEU HG 3.000 . 3.500 2.801 2.470 3.629 0.129 6 0 "[ . 1 . 2]" 1
246 1 83 LEU HA 1 83 LEU MD1 3.500 . 4.000 2.974 1.856 3.929 . 0 0 "[ . 1 . 2]" 1
247 1 83 LEU HA 1 83 LEU MD2 3.500 . 4.000 3.418 2.117 3.940 . 0 0 "[ . 1 . 2]" 1
248 1 83 LEU QB 1 83 LEU MD1 3.000 . 3.500 2.239 2.092 2.441 . 0 0 "[ . 1 . 2]" 1
249 1 84 ASP H 1 84 ASP HA 2.500 . 3.000 2.773 2.729 2.844 . 0 0 "[ . 1 . 2]" 1
250 1 84 ASP H 1 84 ASP QB 3.000 . 3.500 2.516 2.193 3.391 . 0 0 "[ . 1 . 2]" 1
251 1 85 GLN H 1 85 GLN HB3 3.000 . 3.500 3.318 3.014 3.693 0.193 7 0 "[ . 1 . 2]" 1
252 1 85 GLN H 1 85 GLN HB2 3.000 . 3.500 3.427 2.478 3.694 0.194 16 0 "[ . 1 . 2]" 1
253 1 86 GLU H 1 86 GLU HB3 3.000 . 3.500 3.016 2.381 3.559 0.059 16 0 "[ . 1 . 2]" 1
254 1 86 GLU H 1 86 GLU HB2 3.000 . 3.500 2.352 2.085 2.657 . 0 0 "[ . 1 . 2]" 1
255 1 87 CYS H 1 87 CYS HB3 3.500 . 4.000 4.024 3.593 4.119 0.119 19 0 "[ . 1 . 2]" 1
256 1 87 CYS H 1 87 CYS HB2 3.500 . 4.000 3.425 2.464 3.683 . 0 0 "[ . 1 . 2]" 1
257 1 88 VAL H 1 88 VAL HB 4.000 . 5.000 2.741 2.373 3.650 . 0 0 "[ . 1 . 2]" 1
258 1 88 VAL H 1 88 VAL MG1 4.500 . 5.500 3.416 2.342 3.769 . 0 0 "[ . 1 . 2]" 1
259 1 88 VAL H 1 88 VAL MG2 4.000 . 5.000 2.203 1.876 2.422 . 0 0 "[ . 1 . 2]" 1
260 1 88 VAL HA 1 88 VAL MG1 3.000 . 3.500 2.408 2.252 2.506 . 0 0 "[ . 1 . 2]" 1
261 1 88 VAL HA 1 88 VAL MG2 3.000 . 3.500 2.550 2.292 3.207 . 0 0 "[ . 1 . 2]" 1
262 1 89 PHE HA 1 89 PHE QD 3.500 . 4.000 2.935 2.728 3.145 . 0 0 "[ . 1 . 2]" 1
263 1 89 PHE HA 1 89 PHE QE 4.500 . 5.500 4.748 4.616 4.946 . 0 0 "[ . 1 . 2]" 1
264 1 89 PHE HB2 1 89 PHE QE 4.000 . 5.000 4.401 4.384 4.421 . 0 0 "[ . 1 . 2]" 1
265 1 89 PHE H 1 89 PHE HB3 4.000 . 5.000 2.444 2.296 2.604 . 0 0 "[ . 1 . 2]" 1
266 1 89 PHE H 1 89 PHE HB2 4.000 . 5.000 2.794 2.686 2.989 . 0 0 "[ . 1 . 2]" 1
267 1 89 PHE H 1 89 PHE QD 4.500 . 5.500 4.178 4.016 4.265 . 0 0 "[ . 1 . 2]" 1
268 1 90 GLN H 1 90 GLN HB3 3.000 . 3.500 3.388 2.956 3.549 0.049 2 0 "[ . 1 . 2]" 1
269 1 90 GLN H 1 90 GLN HB2 3.500 . 4.000 2.175 1.992 2.345 . 0 0 "[ . 1 . 2]" 1
270 1 90 GLN H 1 90 GLN HG3 4.000 . 5.000 3.360 2.535 4.397 . 0 0 "[ . 1 . 2]" 1
271 1 90 GLN H 1 90 GLN HG2 4.000 . 5.000 3.637 2.639 4.381 . 0 0 "[ . 1 . 2]" 1
272 1 90 GLN HA 1 90 GLN HG2 3.000 . 3.500 2.470 2.268 2.983 . 0 0 "[ . 1 . 2]" 1
273 1 90 GLN HA 1 90 GLN HG3 3.000 . 3.500 3.118 2.483 3.619 0.119 8 0 "[ . 1 . 2]" 1
274 1 92 GLN H 1 92 GLN HA 3.000 . 3.500 2.776 2.748 2.797 . 0 0 "[ . 1 . 2]" 1
275 1 92 GLN H 1 92 GLN QB 2.500 . 3.000 2.104 2.055 2.143 . 0 0 "[ . 1 . 2]" 1
276 1 92 GLN H 1 92 GLN HG3 3.500 . 4.000 4.078 3.937 4.125 0.125 19 0 "[ . 1 . 2]" 1
277 1 92 GLN HA 1 92 GLN HG3 2.500 . 3.000 2.439 2.235 2.827 . 0 0 "[ . 1 . 2]" 1
278 1 93 SER H 1 93 SER HB3 3.500 . 4.000 2.648 2.448 2.950 . 0 0 "[ . 1 . 2]" 1
279 1 93 SER H 1 93 SER HB2 3.500 . 4.000 3.121 2.416 3.641 . 0 0 "[ . 1 . 2]" 1
280 1 94 LYS H 1 94 LYS HB3 3.000 . 3.500 3.425 2.372 3.621 0.121 3 0 "[ . 1 . 2]" 1
281 1 94 LYS H 1 94 LYS HB2 3.500 . 4.000 2.603 2.502 2.881 . 0 0 "[ . 1 . 2]" 1
282 1 94 LYS H 1 94 LYS HG3 4.000 . 5.000 3.106 1.995 4.582 . 0 0 "[ . 1 . 2]" 1
283 1 94 LYS H 1 94 LYS HG2 4.000 . 5.000 3.052 1.998 4.619 . 0 0 "[ . 1 . 2]" 1
284 1 95 TRP HA 1 95 TRP HE1 4.000 . 5.000 4.538 4.348 4.715 . 0 0 "[ . 1 . 2]" 1
285 1 95 TRP H 1 95 TRP HB3 3.500 . 4.000 3.572 3.551 3.607 . 0 0 "[ . 1 . 2]" 1
286 1 95 TRP H 1 95 TRP HB2 3.500 . 4.000 2.373 2.300 2.481 . 0 0 "[ . 1 . 2]" 1
287 1 95 TRP H 1 95 TRP HD1 3.500 . 4.000 2.813 2.603 3.153 . 0 0 "[ . 1 . 2]" 1
288 1 95 TRP H 1 95 TRP HE1 4.000 . 5.000 4.844 4.667 5.098 0.098 7 0 "[ . 1 . 2]" 1
289 1 95 TRP HA 1 95 TRP HD1 2.500 . 3.000 2.163 1.954 2.351 . 0 0 "[ . 1 . 2]" 1
290 1 95 TRP HB3 1 95 TRP HD1 3.500 . 4.000 3.632 3.567 3.676 . 0 0 "[ . 1 . 2]" 1
291 1 95 TRP HB3 1 95 TRP HE3 3.000 . 3.500 2.854 2.774 2.919 . 0 0 "[ . 1 . 2]" 1
292 1 95 TRP HB2 1 95 TRP HE3 3.000 . 3.500 2.962 2.842 3.052 . 0 0 "[ . 1 . 2]" 1
293 1 95 TRP HA 1 95 TRP HE3 4.000 . 5.000 5.044 5.001 5.078 0.078 7 0 "[ . 1 . 2]" 1
294 1 96 LYS HA 1 96 LYS HG3 2.500 . 3.000 2.733 2.196 3.052 0.052 2 0 "[ . 1 . 2]" 1
295 1 96 LYS HA 1 96 LYS HG2 3.000 . 3.500 2.862 2.389 3.611 0.111 4 0 "[ . 1 . 2]" 1
296 1 96 LYS QE 1 96 LYS HG2 3.500 . 4.000 2.811 2.336 3.500 . 0 0 "[ . 1 . 2]" 1
297 1 97 GLY H 1 97 GLY QA 2.500 . 3.000 2.484 2.459 2.498 . 0 0 "[ . 1 . 2]" 1
298 1 98 ALA H 1 98 ALA MB 3.000 . 3.500 2.375 2.288 2.687 . 0 0 "[ . 1 . 2]" 1
299 1 99 GLY H 1 99 GLY HA2 3.000 . 3.500 2.426 2.381 2.485 . 0 0 "[ . 1 . 2]" 1
300 1 99 GLY H 1 99 GLY HA3 2.500 . 3.000 2.948 2.937 2.955 . 0 0 "[ . 1 . 2]" 1
301 1 100 LYS H 1 100 LYS HB3 3.500 . 4.000 3.978 3.878 4.054 0.054 15 0 "[ . 1 . 2]" 1
302 1 100 LYS H 1 100 LYS HB2 4.000 . 5.000 3.069 2.845 3.706 . 0 0 "[ . 1 . 2]" 1
303 1 100 LYS H 1 100 LYS QG 3.500 . 4.000 3.333 2.836 3.775 . 0 0 "[ . 1 . 2]" 1
304 1 100 LYS HB3 1 100 LYS HE3 4.000 . 5.000 4.337 3.431 4.764 . 0 0 "[ . 1 . 2]" 1
305 1 100 LYS HB2 1 100 LYS QD 3.000 . 3.500 2.264 2.040 2.934 . 0 0 "[ . 1 . 2]" 1
306 1 100 LYS HB2 1 100 LYS HE3 3.500 . 4.000 3.532 1.794 4.236 0.236 10 0 "[ . 1 . 2]" 1
307 1 100 LYS HB3 1 100 LYS QD 3.000 . 3.500 2.984 2.437 3.261 . 0 0 "[ . 1 . 2]" 1
308 1 100 LYS HA 1 100 LYS QD 3.500 . 4.000 3.908 3.436 4.264 0.264 18 0 "[ . 1 . 2]" 1
309 1 100 LYS HA 1 100 LYS QG 3.500 . 4.000 2.613 2.416 3.191 . 0 0 "[ . 1 . 2]" 1
310 1 101 PHE HA 1 101 PHE QD 3.000 . 3.500 2.818 2.622 2.938 . 0 0 "[ . 1 . 2]" 1
311 1 101 PHE HB3 1 101 PHE QD 3.000 . 3.500 2.415 2.381 2.486 . 0 0 "[ . 1 . 2]" 1
312 1 101 PHE HB2 1 101 PHE QD 3.000 . 3.500 2.373 2.330 2.400 . 0 0 "[ . 1 . 2]" 1
313 1 101 PHE H 1 101 PHE HB3 4.000 . 5.000 3.605 3.567 3.632 . 0 0 "[ . 1 . 2]" 1
314 1 101 PHE H 1 101 PHE HB2 4.000 . 5.000 2.416 2.375 2.462 . 0 0 "[ . 1 . 2]" 1
315 1 101 PHE H 1 101 PHE QD 4.000 . 5.000 2.373 2.170 2.669 . 0 0 "[ . 1 . 2]" 1
316 1 102 ILE H 1 102 ILE HB 4.000 . 5.000 2.610 2.348 2.870 . 0 0 "[ . 1 . 2]" 1
317 1 102 ILE H 1 102 ILE MD 4.500 . 5.500 3.160 2.509 4.242 . 0 0 "[ . 1 . 2]" 1
318 1 102 ILE H 1 102 ILE HG12 4.000 . 5.000 4.343 3.893 4.663 . 0 0 "[ . 1 . 2]" 1
319 1 102 ILE H 1 102 ILE MG 4.500 . 5.500 3.794 3.624 3.948 . 0 0 "[ . 1 . 2]" 1
320 1 102 ILE HA 1 102 ILE MD 4.000 . 5.000 3.203 2.461 3.875 . 0 0 "[ . 1 . 2]" 1
321 1 102 ILE HA 1 102 ILE HG13 3.500 . 4.000 2.571 2.292 3.048 . 0 0 "[ . 1 . 2]" 1
322 1 102 ILE HA 1 102 ILE HG12 3.500 . 4.000 3.246 2.531 3.644 . 0 0 "[ . 1 . 2]" 1
323 1 102 ILE HB 1 102 ILE MD 3.000 . 3.500 2.386 2.289 2.481 . 0 0 "[ . 1 . 2]" 1
324 1 102 ILE HG12 1 102 ILE MG 3.500 . 4.000 2.270 2.156 2.377 . 0 0 "[ . 1 . 2]" 1
325 1 103 LEU HA 1 103 LEU MD1 4.500 . 5.500 2.358 2.028 2.737 . 0 0 "[ . 1 . 2]" 1
326 1 103 LEU HA 1 103 LEU MD2 3.500 . 4.000 3.809 3.700 3.874 . 0 0 "[ . 1 . 2]" 1
327 1 103 LEU HA 1 103 LEU HG 3.500 . 4.000 2.581 2.336 2.904 . 0 0 "[ . 1 . 2]" 1
328 1 104 LYS HB3 1 104 LYS HE3 4.000 . 5.000 4.086 2.754 4.697 . 0 0 "[ . 1 . 2]" 1
329 1 104 LYS HB2 1 104 LYS HE3 4.000 . 5.000 3.525 3.096 3.684 . 0 0 "[ . 1 . 2]" 1
330 1 104 LYS HB3 1 104 LYS HE2 4.000 . 5.000 3.048 2.209 3.483 . 0 0 "[ . 1 . 2]" 1
331 1 104 LYS HB2 1 104 LYS HE2 4.000 . 5.000 2.013 1.856 2.420 . 0 0 "[ . 1 . 2]" 1
332 1 104 LYS HA 1 104 LYS QD 3.500 . 4.000 3.700 1.861 4.166 0.166 1 0 "[ . 1 . 2]" 1
333 1 104 LYS HA 1 104 LYS HE2 4.000 . 5.000 4.184 3.502 4.647 . 0 0 "[ . 1 . 2]" 1
334 1 104 LYS H 1 104 LYS HB3 3.500 . 4.000 2.980 2.747 3.147 . 0 0 "[ . 1 . 2]" 1
335 1 104 LYS H 1 104 LYS HB2 3.500 . 4.000 3.118 2.875 3.316 . 0 0 "[ . 1 . 2]" 1
336 1 105 LEU H 1 105 LEU QB 2.500 . 3.000 2.280 2.151 2.465 . 0 0 "[ . 1 . 2]" 1
337 1 105 LEU H 1 105 LEU MD1 4.500 . 5.500 3.277 2.391 4.192 . 0 0 "[ . 1 . 2]" 1
338 1 105 LEU H 1 105 LEU MD2 4.500 . 5.500 4.101 3.152 4.392 . 0 0 "[ . 1 . 2]" 1
339 1 105 LEU HA 1 105 LEU MD1 3.500 . 4.000 2.606 2.123 3.745 . 0 0 "[ . 1 . 2]" 1
340 1 105 LEU HA 1 105 LEU MD2 4.000 . 5.000 3.376 1.773 3.816 0.027 4 0 "[ . 1 . 2]" 1
341 1 105 LEU HA 1 105 LEU HG 3.500 . 4.000 2.587 2.399 3.092 . 0 0 "[ . 1 . 2]" 1
342 1 105 LEU HB3 1 105 LEU MD1 3.000 . 3.500 3.003 2.265 3.193 . 0 0 "[ . 1 . 2]" 1
343 1 105 LEU HB2 1 105 LEU MD1 3.000 . 3.500 2.376 2.314 2.430 . 0 0 "[ . 1 . 2]" 1
344 1 106 LYS HA 1 106 LYS QD 4.000 . 5.000 4.408 4.223 4.565 . 0 0 "[ . 1 . 2]" 1
345 1 106 LYS HA 1 106 LYS HG3 4.000 . 5.000 3.784 3.619 3.953 . 0 0 "[ . 1 . 2]" 1
346 1 106 LYS HB3 1 106 LYS QE 4.000 . 5.000 2.590 1.913 2.877 . 0 0 "[ . 1 . 2]" 1
347 1 106 LYS QE 1 106 LYS HG3 3.000 . 3.500 2.729 2.300 3.372 . 0 0 "[ . 1 . 2]" 1
348 1 106 LYS QE 1 106 LYS HG2 3.000 . 3.500 3.258 2.392 3.473 . 0 0 "[ . 1 . 2]" 1
349 1 106 LYS HA 1 106 LYS QE 4.000 . 5.000 4.291 4.038 4.437 . 0 0 "[ . 1 . 2]" 1
350 1 106 LYS HA 1 106 LYS HG2 3.000 . 3.500 3.595 3.527 3.635 0.135 4 0 "[ . 1 . 2]" 1
351 1 106 LYS H 1 106 LYS HB3 3.500 . 4.000 2.771 2.535 3.000 . 0 0 "[ . 1 . 2]" 1
352 1 106 LYS H 1 106 LYS HB2 4.000 . 5.000 3.579 3.432 3.653 . 0 0 "[ . 1 . 2]" 1
353 1 106 LYS H 1 106 LYS HG3 4.000 . 5.000 2.998 1.979 3.374 . 0 0 "[ . 1 . 2]" 1
354 1 106 LYS H 1 106 LYS HG2 3.500 . 4.000 1.775 1.735 1.865 0.065 6 0 "[ . 1 . 2]" 1
355 1 107 GLU H 1 107 GLU QB 3.000 . 3.500 2.520 2.363 2.672 . 0 0 "[ . 1 . 2]" 1
356 1 107 GLU H 1 107 GLU QG 4.000 . 5.000 2.231 1.943 2.713 . 0 0 "[ . 1 . 2]" 1
357 1 109 VAL H 1 109 VAL HB 3.500 . 4.000 2.432 2.163 2.697 . 0 0 "[ . 1 . 2]" 1
358 1 109 VAL HA 1 109 VAL QG 3.000 . 3.500 2.125 2.084 2.167 . 0 0 "[ . 1 . 2]" 1
359 1 110 GLN H 1 110 GLN QB 3.000 . 3.500 2.627 2.242 3.229 . 0 0 "[ . 1 . 2]" 1
360 1 110 GLN H 1 110 GLN HG2 4.000 . 5.000 2.577 1.796 4.347 0.004 2 0 "[ . 1 . 2]" 1
361 1 111 ALA H 1 111 ALA HA 2.500 . 3.000 2.764 2.263 2.925 . 0 0 "[ . 1 . 2]" 1
362 1 112 SER H 1 112 SER QB 3.500 . 4.000 2.605 2.227 3.356 . 0 0 "[ . 1 . 2]" 1
363 1 113 ARG H 1 113 ARG HB3 4.000 . 5.000 3.474 2.432 4.083 . 0 0 "[ . 1 . 2]" 1
364 1 113 ARG H 1 113 ARG QG 4.000 . 5.000 3.048 1.912 4.144 . 0 0 "[ . 1 . 2]" 1
365 1 114 GLU H 1 114 GLU QG 4.000 . 5.000 3.208 1.788 4.386 0.012 2 0 "[ . 1 . 2]" 1
366 1 115 ASP H 1 115 ASP QB 3.500 . 4.000 2.602 2.229 3.332 . 0 0 "[ . 1 . 2]" 1
367 1 116 LYS H 1 116 LYS HB2 4.000 . 5.000 3.207 2.475 3.787 . 0 0 "[ . 1 . 2]" 1
368 1 116 LYS H 1 116 LYS QG 4.000 . 5.000 2.934 1.840 4.362 . 0 0 "[ . 1 . 2]" 1
369 1 116 LYS H 1 116 LYS HB3 4.000 . 5.000 3.473 2.584 4.072 . 0 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 347
_Distance_constraint_stats_list.Viol_count 464
_Distance_constraint_stats_list.Viol_total 692.978
_Distance_constraint_stats_list.Viol_max 0.384
_Distance_constraint_stats_list.Viol_rms 0.0244
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0050
_Distance_constraint_stats_list.Viol_average_violations_only 0.0747
_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 SER 0.151 0.151 8 0 "[ . 1 . 2]"
1 3 GLU 0.151 0.151 8 0 "[ . 1 . 2]"
1 4 GLU 1.002 0.165 3 0 "[ . 1 . 2]"
1 5 GLU 1.002 0.165 3 0 "[ . 1 . 2]"
1 6 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 7 PHE 2.155 0.151 9 0 "[ . 1 . 2]"
1 8 PHE 2.155 0.151 9 0 "[ . 1 . 2]"
1 9 VAL 0.306 0.074 12 0 "[ . 1 . 2]"
1 10 GLN 0.306 0.074 12 0 "[ . 1 . 2]"
1 11 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 SER 0.715 0.157 9 0 "[ . 1 . 2]"
1 16 PRO 0.715 0.157 9 0 "[ . 1 . 2]"
1 18 GLN 0.000 0.000 9 0 "[ . 1 . 2]"
1 19 PRO 0.000 0.000 9 0 "[ . 1 . 2]"
1 21 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 22 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 24 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 ALA 5.678 0.256 4 0 "[ . 1 . 2]"
1 26 PRO 6.169 0.256 4 0 "[ . 1 . 2]"
1 27 ARG 0.491 0.080 10 0 "[ . 1 . 2]"
1 28 VAL 0.493 0.053 16 0 "[ . 1 . 2]"
1 29 SER 0.493 0.053 16 0 "[ . 1 . 2]"
1 30 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 31 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 32 GLN 1.539 0.210 20 0 "[ . 1 . 2]"
1 33 ASP 6.489 0.210 20 0 "[ . 1 . 2]"
1 34 VAL 4.950 0.185 1 0 "[ . 1 . 2]"
1 35 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 37 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 39 LEU 0.531 0.192 8 0 "[ . 1 . 2]"
1 40 CYS 0.531 0.192 8 0 "[ . 1 . 2]"
1 41 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 42 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 43 LYS 0.044 0.037 9 0 "[ . 1 . 2]"
1 44 TYR 0.044 0.037 9 0 "[ . 1 . 2]"
1 45 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 48 ILE 0.113 0.064 10 0 "[ . 1 . 2]"
1 49 LEU 0.113 0.064 10 0 "[ . 1 . 2]"
1 51 ASN 0.173 0.048 6 0 "[ . 1 . 2]"
1 52 PRO 0.173 0.048 6 0 "[ . 1 . 2]"
1 53 ASN 0.454 0.093 19 0 "[ . 1 . 2]"
1 54 PRO 0.839 0.093 19 0 "[ . 1 . 2]"
1 55 SER 0.385 0.058 11 0 "[ . 1 . 2]"
1 56 ASP 0.733 0.198 4 0 "[ . 1 . 2]"
1 57 TYR 0.733 0.198 4 0 "[ . 1 . 2]"
1 58 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 59 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 60 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 61 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 62 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 63 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 64 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 65 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 66 ASP 0.237 0.196 20 0 "[ . 1 . 2]"
1 67 THR 0.237 0.196 20 0 "[ . 1 . 2]"
1 68 THR 0.034 0.034 8 0 "[ . 1 . 2]"
1 69 ASN 3.053 0.261 3 0 "[ . 1 . 2]"
1 70 LYS 3.020 0.261 3 0 "[ . 1 . 2]"
1 73 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 74 THR 0.245 0.048 14 0 "[ . 1 . 2]"
1 75 PRO 2.253 0.384 6 0 "[ . 1 . 2]"
1 76 LYS 2.209 0.384 6 0 "[ . 1 . 2]"
1 77 SER 0.202 0.067 4 0 "[ . 1 . 2]"
1 78 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 79 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 80 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 81 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 82 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 83 LEU 0.088 0.045 8 0 "[ . 1 . 2]"
1 84 ASP 0.108 0.045 8 0 "[ . 1 . 2]"
1 85 GLN 0.020 0.020 19 0 "[ . 1 . 2]"
1 86 GLU 1.017 0.281 20 0 "[ . 1 . 2]"
1 87 CYS 1.017 0.281 20 0 "[ . 1 . 2]"
1 88 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 89 PHE 0.408 0.108 9 0 "[ . 1 . 2]"
1 90 GLN 0.408 0.108 9 0 "[ . 1 . 2]"
1 91 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 92 GLN 0.814 0.086 14 0 "[ . 1 . 2]"
1 93 SER 0.814 0.086 14 0 "[ . 1 . 2]"
1 94 LYS 1.675 0.153 16 0 "[ . 1 . 2]"
1 95 TRP 2.101 0.168 7 0 "[ . 1 . 2]"
1 96 LYS 0.519 0.168 7 0 "[ . 1 . 2]"
1 97 GLY 0.094 0.051 16 0 "[ . 1 . 2]"
1 98 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 99 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 100 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 101 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 102 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 103 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 104 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 105 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 106 LYS 2.547 0.224 14 0 "[ . 1 . 2]"
1 107 GLU 2.547 0.224 14 0 "[ . 1 . 2]"
1 108 GLN 0.932 0.118 11 0 "[ . 1 . 2]"
1 109 VAL 0.973 0.118 11 0 "[ . 1 . 2]"
1 110 GLN 0.970 0.362 13 0 "[ . 1 . 2]"
1 111 ALA 0.929 0.362 13 0 "[ . 1 . 2]"
1 112 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 113 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 114 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 115 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 116 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 2 SER HA 1 3 GLU H 2.500 . 3.000 2.495 2.148 3.151 0.151 8 0 "[ . 1 . 2]" 2
2 1 2 SER HB3 1 3 GLU H 4.000 . 5.000 3.762 2.935 4.490 . 0 0 "[ . 1 . 2]" 2
3 1 3 GLU H 1 4 GLU H 4.000 . 5.000 2.439 1.873 3.836 . 0 0 "[ . 1 . 2]" 2
4 1 4 GLU HA 1 5 GLU H 2.500 . 3.000 2.519 2.074 3.165 0.165 3 0 "[ . 1 . 2]" 2
5 1 4 GLU HG3 1 5 GLU H 4.000 . 5.000 4.332 3.072 5.075 0.075 1 0 "[ . 1 . 2]" 2
6 1 5 GLU HA 1 6 SER H 3.000 . 3.500 2.144 2.080 2.239 . 0 0 "[ . 1 . 2]" 2
7 1 5 GLU HB3 1 6 SER H 4.000 . 5.000 4.117 3.714 4.381 . 0 0 "[ . 1 . 2]" 2
8 1 5 GLU HB2 1 6 SER H 4.000 . 5.000 3.757 2.967 4.510 . 0 0 "[ . 1 . 2]" 2
9 1 5 GLU QG 1 6 SER H 4.000 . 5.000 3.817 2.455 4.686 . 0 0 "[ . 1 . 2]" 2
10 1 6 SER HA 1 7 PHE H 3.500 . 4.000 2.222 2.114 2.488 . 0 0 "[ . 1 . 2]" 2
11 1 6 SER QB 1 7 PHE H 3.500 . 4.000 2.816 2.296 3.057 . 0 0 "[ . 1 . 2]" 2
12 1 6 SER H 1 7 PHE H 4.000 . 5.000 4.385 4.116 4.517 . 0 0 "[ . 1 . 2]" 2
13 1 6 SER HA 1 7 PHE HA 4.000 . 5.000 4.393 4.339 4.486 . 0 0 "[ . 1 . 2]" 2
14 1 6 SER HA 1 7 PHE QD 4.500 . 5.500 3.662 3.351 3.937 . 0 0 "[ . 1 . 2]" 2
15 1 7 PHE HA 1 8 PHE QD 4.500 . 5.500 3.909 3.250 4.269 . 0 0 "[ . 1 . 2]" 2
16 1 7 PHE HA 1 8 PHE H 3.000 . 3.500 2.337 2.266 2.400 . 0 0 "[ . 1 . 2]" 2
17 1 7 PHE HB3 1 8 PHE H 3.500 . 4.000 4.108 4.076 4.151 0.151 9 0 "[ . 1 . 2]" 2
18 1 7 PHE HB2 1 8 PHE H 3.500 . 4.000 2.886 2.822 2.985 . 0 0 "[ . 1 . 2]" 2
19 1 7 PHE H 1 8 PHE H 4.000 . 5.000 4.428 4.313 4.509 . 0 0 "[ . 1 . 2]" 2
20 1 7 PHE QD 1 8 PHE H 4.000 . 5.000 3.202 2.917 3.621 . 0 0 "[ . 1 . 2]" 2
21 1 8 PHE HA 1 9 VAL H 3.000 . 3.500 2.163 2.120 2.219 . 0 0 "[ . 1 . 2]" 2
22 1 8 PHE HB3 1 9 VAL H 4.000 . 5.000 3.249 3.048 3.481 . 0 0 "[ . 1 . 2]" 2
23 1 8 PHE HB2 1 9 VAL H 4.000 . 5.000 4.277 4.164 4.403 . 0 0 "[ . 1 . 2]" 2
24 1 8 PHE QD 1 9 VAL H 4.500 . 5.500 3.731 3.490 4.205 . 0 0 "[ . 1 . 2]" 2
25 1 8 PHE H 1 9 VAL H 4.000 . 5.000 4.512 4.450 4.567 . 0 0 "[ . 1 . 2]" 2
26 1 8 PHE HA 1 9 VAL MG2 4.500 . 5.500 3.492 3.382 3.651 . 0 0 "[ . 1 . 2]" 2
27 1 9 VAL HA 1 10 GLN H 2.500 . 3.000 2.181 2.120 2.285 . 0 0 "[ . 1 . 2]" 2
28 1 9 VAL HB 1 10 GLN H 3.500 . 4.000 3.885 3.306 4.074 0.074 12 0 "[ . 1 . 2]" 2
29 1 9 VAL QG 1 10 GLN H 4.500 . 5.500 2.595 2.080 3.009 . 0 0 "[ . 1 . 2]" 2
30 1 9 VAL H 1 10 GLN H 4.000 . 5.000 4.345 4.174 4.439 . 0 0 "[ . 1 . 2]" 2
31 1 10 GLN HA 1 11 VAL H 3.500 . 4.000 2.161 2.090 2.198 . 0 0 "[ . 1 . 2]" 2
32 1 10 GLN H 1 11 VAL H 4.000 . 5.000 4.178 4.017 4.258 . 0 0 "[ . 1 . 2]" 2
33 1 10 GLN HA 1 11 VAL MG2 4.500 . 5.500 5.114 3.116 5.493 . 0 0 "[ . 1 . 2]" 2
34 1 11 VAL HA 1 12 HIS HD2 4.000 . 5.000 3.980 3.227 4.460 . 0 0 "[ . 1 . 2]" 2
35 1 11 VAL HA 1 12 HIS H 3.500 . 4.000 2.153 2.064 2.233 . 0 0 "[ . 1 . 2]" 2
36 1 11 VAL QG 1 12 HIS H 4.500 . 5.500 2.829 2.374 3.167 . 0 0 "[ . 1 . 2]" 2
37 1 12 HIS HA 1 13 ASP H 4.000 . 5.000 2.234 2.105 2.686 . 0 0 "[ . 1 . 2]" 2
38 1 13 ASP H 1 14 VAL H 4.000 . 5.000 4.310 2.681 4.567 . 0 0 "[ . 1 . 2]" 2
39 1 15 SER HA 1 16 PRO QD 3.000 . 3.500 1.954 1.758 2.170 0.042 2 0 "[ . 1 . 2]" 2
40 1 15 SER HB2 1 16 PRO QD 3.000 . 3.500 3.317 2.165 3.657 0.157 9 0 "[ . 1 . 2]" 2
41 1 15 SER HA 1 16 PRO HG3 4.000 . 5.000 4.215 3.776 4.597 . 0 0 "[ . 1 . 2]" 2
42 1 18 GLN HA 1 19 PRO HD3 3.500 . 4.000 2.252 1.879 2.887 . 0 0 "[ . 1 . 2]" 2
43 1 18 GLN HA 1 19 PRO HD2 3.000 . 3.500 2.444 1.800 2.754 0.000 9 0 "[ . 1 . 2]" 2
44 1 21 THR HA 1 22 VAL H 3.000 . 3.500 2.200 2.176 2.290 . 0 0 "[ . 1 . 2]" 2
45 1 21 THR HB 1 22 VAL H 4.000 . 5.000 4.330 3.891 4.531 . 0 0 "[ . 1 . 2]" 2
46 1 21 THR MG 1 22 VAL H 4.500 . 5.500 3.087 2.287 3.251 . 0 0 "[ . 1 . 2]" 2
47 1 22 VAL HA 1 23 ILE H 3.000 . 3.500 2.141 2.100 2.171 . 0 0 "[ . 1 . 2]" 2
48 1 22 VAL HB 1 23 ILE H 4.000 . 5.000 4.272 4.176 4.327 . 0 0 "[ . 1 . 2]" 2
49 1 22 VAL QG 1 23 ILE H 4.500 . 5.500 2.850 2.572 2.993 . 0 0 "[ . 1 . 2]" 2
50 1 22 VAL H 1 23 ILE MG 4.500 . 5.500 4.174 3.880 4.318 . 0 0 "[ . 1 . 2]" 2
51 1 22 VAL HA 1 23 ILE MG 4.500 . 5.500 4.129 3.980 4.369 . 0 0 "[ . 1 . 2]" 2
52 1 23 ILE HA 1 24 LYS H 3.000 . 3.500 2.394 2.154 2.519 . 0 0 "[ . 1 . 2]" 2
53 1 23 ILE HG13 1 24 LYS H 4.000 . 5.000 4.006 3.698 4.779 . 0 0 "[ . 1 . 2]" 2
54 1 23 ILE MG 1 24 LYS H 4.000 . 5.000 3.392 3.140 3.844 . 0 0 "[ . 1 . 2]" 2
55 1 24 LYS HA 1 25 ALA H 3.500 . 4.000 2.152 2.117 2.182 . 0 0 "[ . 1 . 2]" 2
56 1 24 LYS HB3 1 25 ALA H 4.000 . 5.000 4.192 3.918 4.322 . 0 0 "[ . 1 . 2]" 2
57 1 24 LYS HG3 1 25 ALA H 4.000 . 5.000 4.242 3.559 4.479 . 0 0 "[ . 1 . 2]" 2
58 1 24 LYS HG2 1 25 ALA H 4.000 . 5.000 3.493 2.947 3.881 . 0 0 "[ . 1 . 2]" 2
59 1 24 LYS H 1 25 ALA H 4.000 . 5.000 4.041 3.838 4.424 . 0 0 "[ . 1 . 2]" 2
60 1 25 ALA HA 1 26 PRO HD3 3.000 . 3.500 2.026 1.954 2.117 . 0 0 "[ . 1 . 2]" 2
61 1 25 ALA HA 1 26 PRO HB3 4.000 . 5.000 5.188 5.124 5.256 0.256 4 0 "[ . 1 . 2]" 2
62 1 25 ALA HA 1 26 PRO HD2 3.000 . 3.500 3.124 2.977 3.301 . 0 0 "[ . 1 . 2]" 2
63 1 25 ALA HA 1 26 PRO HG3 3.500 . 4.000 4.031 4.003 4.068 0.068 12 0 "[ . 1 . 2]" 2
64 1 25 ALA MB 1 26 PRO HD3 3.500 . 4.000 2.466 2.268 2.636 . 0 0 "[ . 1 . 2]" 2
65 1 25 ALA MB 1 26 PRO HD2 3.500 . 4.000 1.982 1.892 2.061 . 0 0 "[ . 1 . 2]" 2
66 1 25 ALA HA 1 26 PRO HG2 4.000 . 5.000 4.684 4.599 4.762 . 0 0 "[ . 1 . 2]" 2
67 1 25 ALA MB 1 26 PRO HG2 4.500 . 5.500 4.053 3.982 4.143 . 0 0 "[ . 1 . 2]" 2
68 1 26 PRO HA 1 27 ARG HG2 4.000 . 5.000 4.949 4.513 5.080 0.080 10 0 "[ . 1 . 2]" 2
69 1 26 PRO HA 1 27 ARG H 3.500 . 4.000 2.192 2.133 2.227 . 0 0 "[ . 1 . 2]" 2
70 1 26 PRO HB3 1 27 ARG H 3.500 . 4.000 3.466 3.348 3.609 . 0 0 "[ . 1 . 2]" 2
71 1 26 PRO HB2 1 27 ARG H 4.000 . 5.000 3.440 3.316 3.576 . 0 0 "[ . 1 . 2]" 2
72 1 25 ALA H 1 26 PRO HD2 4.000 . 5.000 5.065 5.050 5.077 0.077 1 0 "[ . 1 . 2]" 2
73 1 27 ARG HA 1 28 VAL H 4.000 . 5.000 3.330 3.247 3.513 . 0 0 "[ . 1 . 2]" 2
74 1 27 ARG HB2 1 28 VAL H 4.000 . 5.000 3.298 2.479 3.527 . 0 0 "[ . 1 . 2]" 2
75 1 27 ARG H 1 28 VAL H 4.000 . 5.000 2.640 2.515 2.705 . 0 0 "[ . 1 . 2]" 2
76 1 28 VAL HA 1 29 SER H 4.000 . 5.000 3.399 3.322 3.476 . 0 0 "[ . 1 . 2]" 2
77 1 28 VAL HB 1 29 SER H 4.000 . 5.000 4.261 4.171 4.340 . 0 0 "[ . 1 . 2]" 2
78 1 28 VAL QG 1 29 SER H 4.500 . 5.500 2.743 2.441 2.874 . 0 0 "[ . 1 . 2]" 2
79 1 28 VAL H 1 29 SER H 4.000 . 5.000 2.174 1.947 2.750 . 0 0 "[ . 1 . 2]" 2
80 1 28 VAL MG2 1 29 SER HA 4.500 . 5.500 3.388 3.123 3.842 . 0 0 "[ . 1 . 2]" 2
81 1 28 VAL MG1 1 29 SER HA 4.500 . 5.500 5.218 3.429 5.553 0.053 16 0 "[ . 1 . 2]" 2
82 1 29 SER HA 1 30 THR MG 4.500 . 5.500 3.522 3.391 3.603 . 0 0 "[ . 1 . 2]" 2
83 1 29 SER HA 1 30 THR H 3.500 . 4.000 2.110 2.070 2.168 . 0 0 "[ . 1 . 2]" 2
84 1 29 SER QB 1 30 THR H 4.000 . 5.000 3.192 2.926 3.408 . 0 0 "[ . 1 . 2]" 2
85 1 29 SER H 1 30 THR H 4.000 . 5.000 4.530 4.458 4.609 . 0 0 "[ . 1 . 2]" 2
86 1 30 THR HA 1 31 ALA H 3.500 . 4.000 2.673 2.579 2.841 . 0 0 "[ . 1 . 2]" 2
87 1 30 THR MG 1 31 ALA H 4.500 . 5.500 3.395 3.229 3.746 . 0 0 "[ . 1 . 2]" 2
88 1 31 ALA HA 1 32 GLN H 3.500 . 4.000 3.562 3.517 3.585 . 0 0 "[ . 1 . 2]" 2
89 1 31 ALA MB 1 32 GLN H 4.000 . 5.000 2.406 2.294 2.494 . 0 0 "[ . 1 . 2]" 2
90 1 30 THR H 1 31 ALA H 4.000 . 5.000 4.412 4.338 4.461 . 0 0 "[ . 1 . 2]" 2
91 1 32 GLN HA 1 33 ASP H 4.000 . 5.000 3.525 3.495 3.575 . 0 0 "[ . 1 . 2]" 2
92 1 32 GLN QB 1 33 ASP H 3.500 . 4.000 3.075 2.819 3.724 . 0 0 "[ . 1 . 2]" 2
93 1 32 GLN QG 1 33 ASP H 4.000 . 5.000 4.229 2.557 4.731 . 0 0 "[ . 1 . 2]" 2
94 1 32 GLN HE21 1 33 ASP HA 4.000 . 5.000 4.579 3.581 5.119 0.119 3 0 "[ . 1 . 2]" 2
95 1 32 GLN HE22 1 33 ASP HA 4.000 . 5.000 4.738 3.754 5.210 0.210 20 0 "[ . 1 . 2]" 2
96 1 32 GLN H 1 33 ASP H 4.000 . 5.000 2.739 2.606 2.871 . 0 0 "[ . 1 . 2]" 2
97 1 33 ASP HB3 1 34 VAL H 4.000 . 5.000 3.109 2.957 3.225 . 0 0 "[ . 1 . 2]" 2
98 1 33 ASP HB2 1 34 VAL H 4.000 . 5.000 2.342 2.163 2.708 . 0 0 "[ . 1 . 2]" 2
99 1 33 ASP H 1 34 VAL MG1 4.500 . 5.500 3.757 3.589 3.954 . 0 0 "[ . 1 . 2]" 2
100 1 33 ASP H 1 34 VAL MG2 4.500 . 5.500 5.649 5.620 5.685 0.185 1 0 "[ . 1 . 2]" 2
101 1 33 ASP H 1 34 VAL H 3.000 . 3.500 2.476 2.408 2.506 . 0 0 "[ . 1 . 2]" 2
102 1 33 ASP HB3 1 34 VAL MG2 4.000 . 5.000 5.098 5.018 5.176 0.176 7 0 "[ . 1 . 2]" 2
103 1 33 ASP HB2 1 34 VAL MG2 4.500 . 5.500 5.059 4.787 5.335 . 0 0 "[ . 1 . 2]" 2
104 1 34 VAL MG1 1 35 ILE HA 4.500 . 5.500 3.243 3.146 3.425 . 0 0 "[ . 1 . 2]" 2
105 1 34 VAL HA 1 35 ILE H 4.000 . 5.000 3.490 3.482 3.503 . 0 0 "[ . 1 . 2]" 2
106 1 34 VAL HB 1 35 ILE H 4.000 . 5.000 3.818 3.741 3.896 . 0 0 "[ . 1 . 2]" 2
107 1 34 VAL MG1 1 35 ILE H 4.000 . 5.000 2.304 2.270 2.344 . 0 0 "[ . 1 . 2]" 2
108 1 34 VAL H 1 35 ILE H 4.000 . 5.000 2.545 2.465 2.610 . 0 0 "[ . 1 . 2]" 2
109 1 35 ILE HA 1 36 GLN H 4.000 . 5.000 3.567 3.548 3.590 . 0 0 "[ . 1 . 2]" 2
110 1 35 ILE HB 1 36 GLN H 3.500 . 4.000 2.414 2.370 2.510 . 0 0 "[ . 1 . 2]" 2
111 1 35 ILE H 1 36 GLN H 4.000 . 5.000 2.874 2.819 2.934 . 0 0 "[ . 1 . 2]" 2
112 1 35 ILE MG 1 36 GLN H 4.500 . 5.500 2.598 2.527 2.709 . 0 0 "[ . 1 . 2]" 2
113 1 35 ILE MG 1 36 GLN HA 4.000 . 5.000 2.817 2.733 2.949 . 0 0 "[ . 1 . 2]" 2
114 1 36 GLN HA 1 37 GLN H 4.000 . 5.000 3.547 3.525 3.568 . 0 0 "[ . 1 . 2]" 2
115 1 36 GLN QB 1 37 GLN H 3.500 . 4.000 2.753 2.482 2.844 . 0 0 "[ . 1 . 2]" 2
116 1 37 GLN HA 1 38 THR H 3.500 . 4.000 3.542 3.526 3.561 . 0 0 "[ . 1 . 2]" 2
117 1 37 GLN QB 1 38 THR H 4.000 . 5.000 2.571 2.366 2.754 . 0 0 "[ . 1 . 2]" 2
118 1 37 GLN H 1 38 THR H 3.500 . 4.000 2.707 2.616 2.784 . 0 0 "[ . 1 . 2]" 2
119 1 39 LEU HA 1 40 CYS H 4.000 . 5.000 3.519 3.478 3.557 . 0 0 "[ . 1 . 2]" 2
120 1 39 LEU HB3 1 40 CYS H 4.000 . 5.000 3.128 2.352 3.709 . 0 0 "[ . 1 . 2]" 2
121 1 39 LEU HB2 1 40 CYS H 4.000 . 5.000 2.827 2.539 3.676 . 0 0 "[ . 1 . 2]" 2
122 1 39 LEU QD 1 40 CYS H 5.000 . 6.000 3.953 3.775 4.043 . 0 0 "[ . 1 . 2]" 2
123 1 39 LEU H 1 40 CYS H 4.000 . 5.000 2.756 2.551 2.886 . 0 0 "[ . 1 . 2]" 2
124 1 39 LEU HG 1 40 CYS H 4.000 . 5.000 4.891 3.592 5.070 0.070 4 0 "[ . 1 . 2]" 2
125 1 39 LEU HB2 1 40 CYS QB 4.000 . 5.000 4.483 4.144 5.192 0.192 8 0 "[ . 1 . 2]" 2
126 1 40 CYS HA 1 41 LYS H 3.500 . 4.000 3.521 3.483 3.572 . 0 0 "[ . 1 . 2]" 2
127 1 40 CYS QB 1 41 LYS H 3.500 . 4.000 2.640 2.410 2.839 . 0 0 "[ . 1 . 2]" 2
128 1 41 LYS HA 1 42 ALA H 4.000 . 5.000 3.455 3.357 3.553 . 0 0 "[ . 1 . 2]" 2
129 1 41 LYS QB 1 42 ALA H 4.000 . 5.000 2.886 2.339 3.265 . 0 0 "[ . 1 . 2]" 2
130 1 41 LYS H 1 42 ALA H 3.500 . 4.000 2.498 2.385 2.643 . 0 0 "[ . 1 . 2]" 2
131 1 42 ALA H 1 43 LYS H 4.000 . 5.000 2.635 2.205 3.944 . 0 0 "[ . 1 . 2]" 2
132 1 42 ALA MB 1 43 LYS HA 4.000 . 5.000 4.130 3.906 4.370 . 0 0 "[ . 1 . 2]" 2
133 1 43 LYS QD 1 44 TYR QE 4.000 . 5.000 3.643 2.606 5.037 0.037 9 0 "[ . 1 . 2]" 2
134 1 43 LYS HA 1 44 TYR H 4.000 . 5.000 2.551 2.066 3.563 . 0 0 "[ . 1 . 2]" 2
135 1 43 LYS QB 1 44 TYR H 4.000 . 5.000 3.377 1.792 4.013 0.008 20 0 "[ . 1 . 2]" 2
136 1 43 LYS H 1 44 TYR H 4.000 . 5.000 3.848 2.557 4.496 . 0 0 "[ . 1 . 2]" 2
137 1 44 TYR HA 1 45 SER H 4.000 . 5.000 3.334 2.711 3.554 . 0 0 "[ . 1 . 2]" 2
138 1 44 TYR HB3 1 45 SER H 4.000 . 5.000 3.871 1.802 4.544 . 0 0 "[ . 1 . 2]" 2
139 1 44 TYR HB2 1 45 SER H 4.000 . 5.000 3.429 2.100 4.473 . 0 0 "[ . 1 . 2]" 2
140 1 48 ILE MG 1 49 LEU HA 3.500 . 4.000 3.682 2.876 4.064 0.064 10 0 "[ . 1 . 2]" 2
141 1 51 ASN HA 1 52 PRO HG3 4.000 . 5.000 4.507 4.101 4.804 . 0 0 "[ . 1 . 2]" 2
142 1 51 ASN HA 1 52 PRO HG2 4.000 . 5.000 4.408 4.277 4.674 . 0 0 "[ . 1 . 2]" 2
143 1 51 ASN HB2 1 52 PRO HD2 4.000 . 5.000 4.924 4.625 5.048 0.048 6 0 "[ . 1 . 2]" 2
144 1 51 ASN HA 1 52 PRO HD3 3.000 . 3.500 2.450 1.917 2.832 . 0 0 "[ . 1 . 2]" 2
145 1 51 ASN HA 1 52 PRO HD2 3.000 . 3.500 2.260 2.086 2.562 . 0 0 "[ . 1 . 2]" 2
146 1 52 PRO HA 1 53 ASN H 3.500 . 4.000 3.272 3.162 3.457 . 0 0 "[ . 1 . 2]" 2
147 1 52 PRO HB3 1 53 ASN H 4.000 . 5.000 4.462 4.319 4.600 . 0 0 "[ . 1 . 2]" 2
148 1 54 PRO HB3 1 55 SER H 4.000 . 5.000 4.496 4.396 4.632 . 0 0 "[ . 1 . 2]" 2
149 1 53 ASN HB3 1 54 PRO HD3 4.000 . 5.000 4.167 2.918 4.473 . 0 0 "[ . 1 . 2]" 2
150 1 53 ASN HA 1 54 PRO HD3 2.500 . 3.000 1.934 1.739 2.115 0.061 15 0 "[ . 1 . 2]" 2
151 1 53 ASN HA 1 54 PRO HD2 2.500 . 3.000 2.520 2.205 3.007 0.007 19 0 "[ . 1 . 2]" 2
152 1 53 ASN HA 1 54 PRO HG3 4.000 . 5.000 4.103 3.777 4.318 . 0 0 "[ . 1 . 2]" 2
153 1 53 ASN HA 1 54 PRO HG2 4.000 . 5.000 4.407 4.296 4.484 . 0 0 "[ . 1 . 2]" 2
154 1 53 ASN HB2 1 54 PRO HD3 3.500 . 4.000 3.785 3.303 4.093 0.093 19 0 "[ . 1 . 2]" 2
155 1 53 ASN HB2 1 54 PRO HD2 3.500 . 4.000 3.031 2.509 4.016 0.016 19 0 "[ . 1 . 2]" 2
156 1 54 PRO HB2 1 55 SER H 3.500 . 4.000 3.963 3.639 4.058 0.058 11 0 "[ . 1 . 2]" 2
157 1 54 PRO HD2 1 55 SER H 3.500 . 4.000 2.714 2.256 3.242 . 0 0 "[ . 1 . 2]" 2
158 1 54 PRO HD3 1 55 SER H 3.500 . 4.000 3.834 3.475 4.034 0.034 1 0 "[ . 1 . 2]" 2
159 1 54 PRO HA 1 55 SER H 3.500 . 4.000 3.260 3.099 3.400 . 0 0 "[ . 1 . 2]" 2
160 1 55 SER HA 1 56 ASP H 4.000 . 5.000 3.410 3.234 3.518 . 0 0 "[ . 1 . 2]" 2
161 1 55 SER QB 1 56 ASP H 4.000 . 5.000 3.299 2.650 3.802 . 0 0 "[ . 1 . 2]" 2
162 1 56 ASP HA 1 57 TYR H 4.000 . 5.000 3.158 3.039 3.252 . 0 0 "[ . 1 . 2]" 2
163 1 56 ASP HB3 1 57 TYR H 4.000 . 5.000 4.329 4.126 4.573 . 0 0 "[ . 1 . 2]" 2
164 1 56 ASP HB2 1 57 TYR H 4.000 . 5.000 3.769 3.554 4.122 . 0 0 "[ . 1 . 2]" 2
165 1 56 ASP HB3 1 57 TYR QD 4.000 . 5.000 4.401 3.818 4.540 . 0 0 "[ . 1 . 2]" 2
166 1 56 ASP HB2 1 57 TYR QD 4.000 . 5.000 3.199 2.528 3.791 . 0 0 "[ . 1 . 2]" 2
167 1 56 ASP HB3 1 57 TYR QE 4.000 . 5.000 4.977 4.295 5.067 0.067 7 0 "[ . 1 . 2]" 2
168 1 56 ASP HB2 1 57 TYR QE 3.500 . 4.000 3.676 2.993 4.198 0.198 4 0 "[ . 1 . 2]" 2
169 1 57 TYR HA 1 58 VAL H 3.500 . 4.000 2.261 2.134 2.454 . 0 0 "[ . 1 . 2]" 2
170 1 57 TYR QB 1 58 VAL H 3.500 . 4.000 2.704 2.047 3.263 . 0 0 "[ . 1 . 2]" 2
171 1 56 ASP H 1 57 TYR QD 4.500 . 5.500 2.699 2.472 3.044 . 0 0 "[ . 1 . 2]" 2
172 1 57 TYR QD 1 58 VAL H 4.500 . 5.500 3.886 3.560 4.408 . 0 0 "[ . 1 . 2]" 2
173 1 56 ASP H 1 57 TYR QE 4.500 . 5.500 4.294 3.898 4.987 . 0 0 "[ . 1 . 2]" 2
174 1 57 TYR H 1 58 VAL H 4.000 . 5.000 4.448 4.337 4.498 . 0 0 "[ . 1 . 2]" 2
175 1 58 VAL HA 1 59 LEU H 3.500 . 4.000 2.379 2.165 2.631 . 0 0 "[ . 1 . 2]" 2
176 1 58 VAL HB 1 59 LEU H 3.500 . 4.000 2.485 1.976 3.049 . 0 0 "[ . 1 . 2]" 2
177 1 58 VAL MG2 1 59 LEU H 4.000 . 5.000 3.842 3.479 4.189 . 0 0 "[ . 1 . 2]" 2
178 1 59 LEU HA 1 60 LEU H 3.500 . 4.000 2.209 2.170 2.279 . 0 0 "[ . 1 . 2]" 2
179 1 59 LEU QD 1 60 LEU H 4.500 . 5.500 2.351 1.862 2.957 . 0 0 "[ . 1 . 2]" 2
180 1 60 LEU HA 1 61 GLU H 3.500 . 4.000 2.193 2.157 2.237 . 0 0 "[ . 1 . 2]" 2
181 1 60 LEU HB3 1 61 GLU H 4.000 . 5.000 3.346 3.096 3.447 . 0 0 "[ . 1 . 2]" 2
182 1 60 LEU HB2 1 61 GLU H 4.000 . 5.000 4.294 4.132 4.351 . 0 0 "[ . 1 . 2]" 2
183 1 60 LEU QD 1 61 GLU H 5.000 . 6.000 3.446 3.390 3.575 . 0 0 "[ . 1 . 2]" 2
184 1 61 GLU HA 1 62 GLU H 3.000 . 3.500 2.304 2.261 2.336 . 0 0 "[ . 1 . 2]" 2
185 1 61 GLU HB2 1 62 GLU H 4.000 . 5.000 4.176 4.111 4.217 . 0 0 "[ . 1 . 2]" 2
186 1 61 GLU QG 1 62 GLU H 4.000 . 5.000 4.282 4.232 4.313 . 0 0 "[ . 1 . 2]" 2
187 1 62 GLU HA 1 63 VAL H 3.000 . 3.500 2.136 2.109 2.167 . 0 0 "[ . 1 . 2]" 2
188 1 62 GLU H 1 63 VAL H 4.000 . 5.000 4.407 4.375 4.435 . 0 0 "[ . 1 . 2]" 2
189 1 62 GLU HA 1 63 VAL MG1 4.500 . 5.500 3.445 3.391 3.564 . 0 0 "[ . 1 . 2]" 2
190 1 63 VAL MG2 1 64 VAL HA 4.500 . 5.500 3.961 3.820 4.128 . 0 0 "[ . 1 . 2]" 2
191 1 63 VAL HA 1 64 VAL H 2.500 . 3.000 2.122 2.084 2.150 . 0 0 "[ . 1 . 2]" 2
192 1 63 VAL HB 1 64 VAL H 4.000 . 5.000 4.153 4.046 4.257 . 0 0 "[ . 1 . 2]" 2
193 1 63 VAL MG1 1 64 VAL H 4.500 . 5.500 4.319 4.274 4.349 . 0 0 "[ . 1 . 2]" 2
194 1 63 VAL MG2 1 64 VAL H 4.000 . 5.000 3.008 2.852 3.242 . 0 0 "[ . 1 . 2]" 2
195 1 64 VAL HA 1 65 LYS H 2.500 . 3.000 2.135 2.068 2.202 . 0 0 "[ . 1 . 2]" 2
196 1 64 VAL QG 1 65 LYS H 4.500 2.300 5.500 3.028 2.380 3.243 . 0 0 "[ . 1 . 2]" 2
197 1 65 LYS HA 1 66 ASP H 2.500 . 3.000 2.211 2.073 2.510 . 0 0 "[ . 1 . 2]" 2
198 1 65 LYS QB 1 66 ASP H 3.500 . 4.000 3.750 3.654 3.991 . 0 0 "[ . 1 . 2]" 2
199 1 65 LYS QG 1 66 ASP H 4.000 . 5.000 4.473 3.700 4.765 . 0 0 "[ . 1 . 2]" 2
200 1 66 ASP QB 1 67 THR H 4.000 . 5.000 2.621 1.918 3.487 . 0 0 "[ . 1 . 2]" 2
201 1 66 ASP HA 1 67 THR MG 4.000 . 5.000 3.816 3.441 5.196 0.196 20 0 "[ . 1 . 2]" 2
202 1 68 THR MG 1 69 ASN H 4.500 . 5.500 3.617 2.439 4.414 . 0 0 "[ . 1 . 2]" 2
203 1 68 THR MG 1 69 ASN HA 4.500 . 5.500 4.217 3.307 5.534 0.034 8 0 "[ . 1 . 2]" 2
204 1 69 ASN HB2 1 70 LYS QG 4.000 . 5.000 3.648 2.327 5.037 0.037 4 0 "[ . 1 . 2]" 2
205 1 69 ASN HB2 1 70 LYS HA 3.500 . 4.000 4.149 4.002 4.261 0.261 3 0 "[ . 1 . 2]" 2
206 1 73 THR HA 1 74 THR H 3.500 . 4.000 2.645 2.127 3.577 . 0 0 "[ . 1 . 2]" 2
207 1 74 THR HA 1 75 PRO HD3 2.500 . 3.000 2.010 1.774 2.180 0.026 12 0 "[ . 1 . 2]" 2
208 1 74 THR HA 1 75 PRO HD2 2.500 . 3.000 2.788 2.629 3.010 0.010 4 0 "[ . 1 . 2]" 2
209 1 74 THR HB 1 75 PRO HD3 3.000 . 3.500 3.322 2.926 3.548 0.048 14 0 "[ . 1 . 2]" 2
210 1 74 THR HB 1 75 PRO HD2 3.000 . 3.500 2.450 2.024 3.017 . 0 0 "[ . 1 . 2]" 2
211 1 74 THR HA 1 75 PRO QG 3.500 . 4.000 3.856 3.642 4.001 0.001 19 0 "[ . 1 . 2]" 2
212 1 74 THR MG 1 75 PRO HD3 4.000 . 5.000 3.399 2.983 3.554 . 0 0 "[ . 1 . 2]" 2
213 1 74 THR MG 1 75 PRO HD2 4.000 . 5.000 3.280 2.683 3.614 . 0 0 "[ . 1 . 2]" 2
214 1 75 PRO HA 1 76 LYS QG 4.000 . 5.000 3.862 3.437 5.384 0.384 6 0 "[ . 1 . 2]" 2
215 1 75 PRO HA 1 76 LYS QB 3.500 . 4.000 4.020 3.484 4.129 0.129 16 0 "[ . 1 . 2]" 2
216 1 75 PRO HA 1 76 LYS H 2.500 . 3.000 2.208 2.096 2.404 . 0 0 "[ . 1 . 2]" 2
217 1 76 LYS HA 1 77 SER H 2.500 . 3.000 2.262 2.101 2.511 . 0 0 "[ . 1 . 2]" 2
218 1 76 LYS QB 1 77 SER H 3.500 . 4.000 2.975 2.205 3.987 . 0 0 "[ . 1 . 2]" 2
219 1 76 LYS HG3 1 77 SER H 4.000 . 5.000 4.464 2.888 5.067 0.067 4 0 "[ . 1 . 2]" 2
220 1 76 LYS H 1 77 SER H 4.000 . 5.000 4.329 3.958 4.525 . 0 0 "[ . 1 . 2]" 2
221 1 77 SER HA 1 78 SER H 3.000 . 3.500 2.153 2.110 2.195 . 0 0 "[ . 1 . 2]" 2
222 1 77 SER QB 1 78 SER H 3.500 . 4.000 3.375 3.007 3.627 . 0 0 "[ . 1 . 2]" 2
223 1 77 SER HA 1 78 SER HA 4.000 . 5.000 4.398 4.369 4.426 . 0 0 "[ . 1 . 2]" 2
224 1 77 SER HA 1 78 SER QB 4.000 . 5.000 4.310 4.073 4.544 . 0 0 "[ . 1 . 2]" 2
225 1 77 SER QB 1 78 SER HA 4.000 . 5.000 4.473 4.154 4.713 . 0 0 "[ . 1 . 2]" 2
226 1 78 SER HA 1 79 GLN HA 4.000 . 5.000 4.412 4.388 4.425 . 0 0 "[ . 1 . 2]" 2
227 1 78 SER HA 1 79 GLN HB2 4.000 . 5.000 4.456 4.311 4.575 . 0 0 "[ . 1 . 2]" 2
228 1 78 SER HA 1 79 GLN H 2.500 . 3.000 2.180 2.161 2.195 . 0 0 "[ . 1 . 2]" 2
229 1 78 SER QB 1 79 GLN H 3.500 . 4.000 3.766 3.505 3.976 . 0 0 "[ . 1 . 2]" 2
230 1 79 GLN HA 1 80 ARG H 3.000 . 3.500 2.170 2.140 2.207 . 0 0 "[ . 1 . 2]" 2
231 1 79 GLN H 1 80 ARG H 4.000 . 5.000 4.475 4.453 4.488 . 0 0 "[ . 1 . 2]" 2
232 1 80 ARG HA 1 81 VAL H 2.500 . 3.000 2.377 2.254 2.478 . 0 0 "[ . 1 . 2]" 2
233 1 80 ARG HB3 1 81 VAL H 3.500 . 4.000 3.778 3.546 3.997 . 0 0 "[ . 1 . 2]" 2
234 1 80 ARG QG 1 81 VAL H 3.500 . 4.000 2.365 1.859 3.405 . 0 0 "[ . 1 . 2]" 2
235 1 80 ARG HA 1 81 VAL QG 4.000 . 5.000 3.209 3.058 3.278 . 0 0 "[ . 1 . 2]" 2
236 1 81 VAL HA 1 82 LEU H 3.500 . 4.000 2.193 2.129 2.258 . 0 0 "[ . 1 . 2]" 2
237 1 82 LEU HA 1 83 LEU H 3.000 . 3.500 2.323 2.194 2.787 . 0 0 "[ . 1 . 2]" 2
238 1 83 LEU HA 1 84 ASP H 3.000 . 3.500 2.694 2.394 3.545 0.045 8 0 "[ . 1 . 2]" 2
239 1 83 LEU QB 1 84 ASP H 3.000 . 3.500 2.175 1.839 3.416 . 0 0 "[ . 1 . 2]" 2
240 1 83 LEU QD 1 84 ASP H 4.000 . 5.000 3.522 2.152 3.799 . 0 0 "[ . 1 . 2]" 2
241 1 83 LEU H 1 84 ASP H 4.000 . 5.000 4.246 2.057 4.605 . 0 0 "[ . 1 . 2]" 2
242 1 84 ASP HA 1 85 GLN H 3.500 . 4.000 3.549 3.498 3.596 . 0 0 "[ . 1 . 2]" 2
243 1 84 ASP QB 1 85 GLN H 3.500 . 4.000 2.928 2.296 3.574 . 0 0 "[ . 1 . 2]" 2
244 1 84 ASP H 1 85 GLN H 3.500 . 4.000 2.775 2.051 3.064 . 0 0 "[ . 1 . 2]" 2
245 1 85 GLN HA 1 86 GLU H 4.000 . 5.000 2.879 2.560 3.134 . 0 0 "[ . 1 . 2]" 2
246 1 85 GLN HB2 1 86 GLU H 4.000 . 5.000 4.348 3.864 4.437 . 0 0 "[ . 1 . 2]" 2
247 1 84 ASP H 1 85 GLN QG 4.000 . 5.000 4.177 3.627 5.020 0.020 19 0 "[ . 1 . 2]" 2
248 1 86 GLU HA 1 87 CYS H 3.000 . 3.500 3.289 2.022 3.439 . 0 0 "[ . 1 . 2]" 2
249 1 86 GLU HB3 1 87 CYS H 3.500 . 4.000 3.545 2.914 4.205 0.205 20 0 "[ . 1 . 2]" 2
250 1 86 GLU HB2 1 87 CYS H 3.500 . 4.000 3.764 3.331 4.281 0.281 20 0 "[ . 1 . 2]" 2
251 1 86 GLU H 1 87 CYS H 4.000 . 5.000 2.569 2.344 3.682 . 0 0 "[ . 1 . 2]" 2
252 1 87 CYS HA 1 88 VAL H 4.000 . 5.000 2.159 2.091 2.244 . 0 0 "[ . 1 . 2]" 2
253 1 87 CYS HB3 1 88 VAL H 4.000 . 5.000 3.507 3.077 4.001 . 0 0 "[ . 1 . 2]" 2
254 1 87 CYS H 1 88 VAL H 4.000 . 5.000 3.858 3.436 4.585 . 0 0 "[ . 1 . 2]" 2
255 1 87 CYS HA 1 88 VAL MG2 4.500 . 5.500 3.620 3.472 3.733 . 0 0 "[ . 1 . 2]" 2
256 1 88 VAL MG1 1 89 PHE HA 4.500 . 5.500 3.854 3.149 5.451 . 0 0 "[ . 1 . 2]" 2
257 1 88 VAL HB 1 89 PHE H 4.000 . 5.000 2.961 2.514 3.914 . 0 0 "[ . 1 . 2]" 2
258 1 88 VAL MG1 1 89 PHE H 4.500 . 5.500 3.590 3.308 4.123 . 0 0 "[ . 1 . 2]" 2
259 1 88 VAL H 1 89 PHE H 4.000 . 5.000 2.435 2.337 2.727 . 0 0 "[ . 1 . 2]" 2
260 1 89 PHE HA 1 90 GLN H 4.000 . 5.000 3.501 3.458 3.547 . 0 0 "[ . 1 . 2]" 2
261 1 89 PHE QD 1 90 GLN H 4.500 . 5.500 3.396 2.938 3.722 . 0 0 "[ . 1 . 2]" 2
262 1 89 PHE H 1 90 GLN H 4.000 . 5.000 2.432 2.346 2.551 . 0 0 "[ . 1 . 2]" 2
263 1 89 PHE QD 1 90 GLN HG3 4.000 . 5.000 4.208 3.539 5.108 0.108 9 0 "[ . 1 . 2]" 2
264 1 89 PHE QD 1 90 GLN HG2 4.000 . 5.000 4.063 2.940 5.050 0.050 18 0 "[ . 1 . 2]" 2
265 1 89 PHE QD 1 90 GLN HA 4.500 . 5.500 3.458 3.182 3.902 . 0 0 "[ . 1 . 2]" 2
266 1 90 GLN HA 1 91 ALA H 4.000 . 5.000 3.540 3.497 3.570 . 0 0 "[ . 1 . 2]" 2
267 1 90 GLN HB3 1 91 ALA H 4.000 . 5.000 3.114 2.405 3.592 . 0 0 "[ . 1 . 2]" 2
268 1 90 GLN HB2 1 91 ALA H 4.000 . 5.000 2.850 2.515 3.270 . 0 0 "[ . 1 . 2]" 2
269 1 90 GLN H 1 91 ALA H 3.500 . 4.000 2.664 2.557 2.768 . 0 0 "[ . 1 . 2]" 2
270 1 91 ALA HA 1 92 GLN H 3.500 . 4.000 3.538 3.510 3.559 . 0 0 "[ . 1 . 2]" 2
271 1 90 GLN H 1 91 ALA MB 4.500 . 5.500 4.298 4.185 4.394 . 0 0 "[ . 1 . 2]" 2
272 1 91 ALA H 1 92 GLN H 3.500 . 4.000 2.705 2.477 2.845 . 0 0 "[ . 1 . 2]" 2
273 1 92 GLN HA 1 93 SER H 3.500 . 4.000 3.507 3.456 3.575 . 0 0 "[ . 1 . 2]" 2
274 1 92 GLN QB 1 93 SER H 3.000 . 3.500 2.690 2.352 2.915 . 0 0 "[ . 1 . 2]" 2
275 1 92 GLN H 1 93 SER H 3.500 . 4.000 2.725 2.609 2.869 . 0 0 "[ . 1 . 2]" 2
276 1 92 GLN HG3 1 93 SER H 4.000 . 5.000 5.036 4.939 5.086 0.086 14 0 "[ . 1 . 2]" 2
277 1 93 SER HA 1 94 LYS H 4.000 . 5.000 3.379 3.267 3.456 . 0 0 "[ . 1 . 2]" 2
278 1 93 SER HB3 1 94 LYS H 4.000 . 5.000 3.855 3.111 4.464 . 0 0 "[ . 1 . 2]" 2
279 1 93 SER HB2 1 94 LYS H 4.000 . 5.000 4.167 4.070 4.267 . 0 0 "[ . 1 . 2]" 2
280 1 93 SER H 1 94 LYS H 3.500 . 4.000 2.529 2.448 2.664 . 0 0 "[ . 1 . 2]" 2
281 1 93 SER H 1 94 LYS HB2 4.000 . 5.000 4.851 4.380 4.999 . 0 0 "[ . 1 . 2]" 2
282 1 94 LYS HA 1 95 TRP H 4.000 . 5.000 3.375 3.271 3.428 . 0 0 "[ . 1 . 2]" 2
283 1 94 LYS HB3 1 95 TRP H 3.500 . 4.000 3.968 3.402 4.153 0.153 16 0 "[ . 1 . 2]" 2
284 1 94 LYS HB2 1 95 TRP H 4.000 . 5.000 3.221 2.866 4.331 . 0 0 "[ . 1 . 2]" 2
285 1 94 LYS QG 1 95 TRP H 4.000 . 5.000 4.032 3.839 4.352 . 0 0 "[ . 1 . 2]" 2
286 1 94 LYS H 1 95 TRP H 3.000 . 3.500 2.274 2.124 2.412 . 0 0 "[ . 1 . 2]" 2
287 1 94 LYS QG 1 95 TRP HE1 4.500 . 5.500 5.470 5.056 5.597 0.097 8 0 "[ . 1 . 2]" 2
288 1 94 LYS H 1 95 TRP HD1 4.000 . 5.000 3.948 3.682 4.231 . 0 0 "[ . 1 . 2]" 2
289 1 95 TRP HA 1 96 LYS H 3.500 . 4.000 2.162 2.032 2.300 . 0 0 "[ . 1 . 2]" 2
290 1 95 TRP HD1 1 96 LYS H 4.000 . 5.000 4.180 3.800 4.488 . 0 0 "[ . 1 . 2]" 2
291 1 95 TRP H 1 96 LYS H 4.000 . 5.000 4.551 4.473 4.591 . 0 0 "[ . 1 . 2]" 2
292 1 95 TRP HA 1 96 LYS HG3 4.000 . 5.000 4.087 3.255 5.168 0.168 7 0 "[ . 1 . 2]" 2
293 1 96 LYS HA 1 97 GLY QA 4.000 . 5.000 4.097 4.023 4.148 . 0 0 "[ . 1 . 2]" 2
294 1 96 LYS HA 1 97 GLY H 3.000 . 3.500 2.967 2.781 3.123 . 0 0 "[ . 1 . 2]" 2
295 1 96 LYS HB2 1 97 GLY H 4.000 . 5.000 3.909 3.664 4.203 . 0 0 "[ . 1 . 2]" 2
296 1 96 LYS H 1 97 GLY H 4.000 . 5.000 2.235 1.904 2.883 . 0 0 "[ . 1 . 2]" 2
297 1 96 LYS HG3 1 97 GLY H 4.000 . 5.000 4.751 4.440 5.051 0.051 16 0 "[ . 1 . 2]" 2
298 1 97 GLY QA 1 98 ALA H 2.500 . 3.000 2.285 2.131 2.329 . 0 0 "[ . 1 . 2]" 2
299 1 97 GLY H 1 98 ALA H 4.000 . 5.000 4.268 3.810 4.377 . 0 0 "[ . 1 . 2]" 2
300 1 97 GLY QA 1 98 ALA MB 4.000 . 5.000 3.760 3.652 3.815 . 0 0 "[ . 1 . 2]" 2
301 1 106 LYS HG3 1 107 GLU QG 4.000 . 5.000 3.290 2.341 4.708 . 0 0 "[ . 1 . 2]" 2
302 1 106 LYS HG2 1 107 GLU QG 4.000 . 5.000 3.650 2.724 4.201 . 0 0 "[ . 1 . 2]" 2
303 1 98 ALA HA 1 99 GLY H 2.500 . 3.000 2.172 2.134 2.226 . 0 0 "[ . 1 . 2]" 2
304 1 98 ALA MB 1 99 GLY H 3.500 . 4.000 3.422 3.316 3.545 . 0 0 "[ . 1 . 2]" 2
305 1 98 ALA H 1 99 GLY H 4.000 . 5.000 4.214 3.964 4.321 . 0 0 "[ . 1 . 2]" 2
306 1 99 GLY HA2 1 100 LYS H 3.000 . 3.500 2.196 2.155 2.232 . 0 0 "[ . 1 . 2]" 2
307 1 99 GLY HA3 1 100 LYS H 3.000 . 3.500 2.907 2.844 2.966 . 0 0 "[ . 1 . 2]" 2
308 1 100 LYS HA 1 101 PHE H 3.500 . 4.000 2.298 2.238 2.354 . 0 0 "[ . 1 . 2]" 2
309 1 100 LYS HB3 1 101 PHE H 4.000 . 5.000 2.905 2.552 3.446 . 0 0 "[ . 1 . 2]" 2
310 1 100 LYS HB2 1 101 PHE H 4.000 . 5.000 3.724 3.145 4.175 . 0 0 "[ . 1 . 2]" 2
311 1 101 PHE HA 1 102 ILE H 3.500 . 4.000 2.267 2.138 2.419 . 0 0 "[ . 1 . 2]" 2
312 1 101 PHE HB3 1 102 ILE H 4.000 . 5.000 3.073 2.721 3.528 . 0 0 "[ . 1 . 2]" 2
313 1 101 PHE HB2 1 102 ILE H 4.000 . 5.000 4.079 3.858 4.345 . 0 0 "[ . 1 . 2]" 2
314 1 101 PHE QD 1 102 ILE H 4.500 . 5.500 3.982 3.563 4.279 . 0 0 "[ . 1 . 2]" 2
315 1 103 LEU HA 1 104 LYS H 3.000 . 3.500 2.168 2.125 2.226 . 0 0 "[ . 1 . 2]" 2
316 1 104 LYS HA 1 105 LEU H 3.000 . 3.500 2.491 2.171 2.713 . 0 0 "[ . 1 . 2]" 2
317 1 104 LYS HB2 1 105 LEU H 4.000 . 5.000 3.944 3.777 4.194 . 0 0 "[ . 1 . 2]" 2
318 1 105 LEU HA 1 106 LYS H 3.500 . 4.000 2.228 2.088 2.347 . 0 0 "[ . 1 . 2]" 2
319 1 105 LEU MD1 1 106 LYS H 4.500 . 5.500 4.109 3.486 4.420 . 0 0 "[ . 1 . 2]" 2
320 1 105 LEU MD2 1 106 LYS H 4.500 . 5.500 3.941 2.986 4.653 . 0 0 "[ . 1 . 2]" 2
321 1 105 LEU H 1 106 LYS H 4.000 . 5.000 4.517 4.416 4.591 . 0 0 "[ . 1 . 2]" 2
322 1 106 LYS HA 1 107 GLU H 3.500 . 4.000 3.410 3.289 3.504 . 0 0 "[ . 1 . 2]" 2
323 1 106 LYS HB3 1 107 GLU H 3.500 . 4.000 4.116 4.016 4.224 0.224 14 0 "[ . 1 . 2]" 2
324 1 106 LYS HB2 1 107 GLU H 3.500 . 4.000 3.878 3.368 4.075 0.075 11 0 "[ . 1 . 2]" 2
325 1 106 LYS HG3 1 107 GLU H 4.000 . 5.000 2.783 2.187 3.306 . 0 0 "[ . 1 . 2]" 2
326 1 106 LYS HG2 1 107 GLU H 3.500 . 4.000 2.805 2.306 3.627 . 0 0 "[ . 1 . 2]" 2
327 1 106 LYS H 1 107 GLU H 4.000 . 5.000 2.336 2.163 2.540 . 0 0 "[ . 1 . 2]" 2
328 1 107 GLU H 1 108 GLN H 4.000 . 5.000 2.447 2.287 2.570 . 0 0 "[ . 1 . 2]" 2
329 1 107 GLU HA 1 108 GLN H 3.500 . 4.000 3.343 3.175 3.451 . 0 0 "[ . 1 . 2]" 2
330 1 108 GLN HA 1 109 VAL H 4.000 . 5.000 3.407 3.191 3.538 . 0 0 "[ . 1 . 2]" 2
331 1 108 GLN H 1 109 VAL H 3.500 . 4.000 2.005 1.873 2.199 . 0 0 "[ . 1 . 2]" 2
332 1 108 GLN H 1 109 VAL HB 3.500 . 4.000 3.984 3.688 4.118 0.118 11 0 "[ . 1 . 2]" 2
333 1 109 VAL HA 1 110 GLN H 3.000 . 3.500 2.867 2.115 3.541 0.041 20 0 "[ . 1 . 2]" 2
334 1 109 VAL QG 1 110 GLN H 4.500 . 5.500 3.241 2.748 3.772 . 0 0 "[ . 1 . 2]" 2
335 1 109 VAL H 1 110 GLN H 4.000 . 5.000 2.958 2.007 4.252 . 0 0 "[ . 1 . 2]" 2
336 1 110 GLN HA 1 111 ALA H 2.500 . 3.000 2.556 2.171 3.362 0.362 13 0 "[ . 1 . 2]" 2
337 1 110 GLN QB 1 111 ALA H 4.000 . 5.000 3.318 1.712 4.028 0.088 13 0 "[ . 1 . 2]" 2
338 1 110 GLN HG2 1 111 ALA H 4.000 . 5.000 4.650 3.792 5.108 0.108 15 0 "[ . 1 . 2]" 2
339 1 111 ALA HA 1 112 SER H 3.000 . 3.500 2.973 2.259 3.399 . 0 0 "[ . 1 . 2]" 2
340 1 111 ALA MB 1 112 SER H 4.500 . 5.500 3.406 2.999 3.694 . 0 0 "[ . 1 . 2]" 2
341 1 111 ALA MB 1 112 SER QB 4.500 . 5.500 4.591 3.579 5.176 . 0 0 "[ . 1 . 2]" 2
342 1 112 SER HA 1 113 ARG H 3.500 . 4.000 2.425 2.129 3.514 . 0 0 "[ . 1 . 2]" 2
343 1 112 SER QB 1 113 ARG H 4.000 . 5.000 3.332 2.048 4.013 . 0 0 "[ . 1 . 2]" 2
344 1 114 GLU HB2 1 115 ASP H 4.000 . 5.000 3.257 2.050 4.612 . 0 0 "[ . 1 . 2]" 2
345 1 115 ASP HA 1 116 LYS H 3.500 . 4.000 2.628 2.107 3.512 . 0 0 "[ . 1 . 2]" 2
346 1 115 ASP HB2 1 116 LYS H 4.000 . 5.000 3.990 3.099 4.601 . 0 0 "[ . 1 . 2]" 2
347 1 115 ASP H 1 116 LYS H 4.000 . 5.000 3.694 1.976 4.624 . 0 0 "[ . 1 . 2]" 2
stop_
save_
save_distance_constraint_statistics_3
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 3
_Distance_constraint_stats_list.Constraint_count 487
_Distance_constraint_stats_list.Viol_count 1641
_Distance_constraint_stats_list.Viol_total 2305.678
_Distance_constraint_stats_list.Viol_max 0.355
_Distance_constraint_stats_list.Viol_rms 0.0369
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0118
_Distance_constraint_stats_list.Viol_average_violations_only 0.0703
_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 5 GLU 0.419 0.108 10 0 "[ . 1 . 2]"
1 6 SER 0.698 0.079 14 0 "[ . 1 . 2]"
1 7 PHE 6.169 0.290 18 0 "[ . 1 . 2]"
1 8 PHE 3.041 0.186 9 0 "[ . 1 . 2]"
1 9 VAL 7.407 0.307 9 0 "[ . 1 . 2]"
1 10 GLN 3.241 0.166 14 0 "[ . 1 . 2]"
1 11 VAL 9.215 0.296 20 0 "[ . 1 . 2]"
1 12 HIS 5.519 0.278 6 0 "[ . 1 . 2]"
1 13 ASP 0.029 0.029 7 0 "[ . 1 . 2]"
1 19 PRO 0.029 0.029 7 0 "[ . 1 . 2]"
1 20 LEU 1.554 0.114 16 0 "[ . 1 . 2]"
1 21 THR 4.371 0.278 6 0 "[ . 1 . 2]"
1 22 VAL 2.518 0.166 14 0 "[ . 1 . 2]"
1 23 ILE 3.291 0.160 15 0 "[ . 1 . 2]"
1 24 LYS 3.061 0.186 9 0 "[ . 1 . 2]"
1 25 ALA 0.285 0.079 14 0 "[ . 1 . 2]"
1 26 PRO 1.489 0.101 18 0 "[ . 1 . 2]"
1 27 ARG 6.467 0.290 18 0 "[ . 1 . 2]"
1 28 VAL 2.142 0.185 9 0 "[ . 1 . 2]"
1 29 SER 0.268 0.084 19 0 "[ . 1 . 2]"
1 30 THR 9.338 0.294 5 0 "[ . 1 . 2]"
1 31 ALA 1.725 0.110 2 0 "[ . 1 . 2]"
1 32 GLN 0.961 0.123 11 0 "[ . 1 . 2]"
1 34 VAL 6.182 0.296 20 0 "[ . 1 . 2]"
1 35 ILE 1.199 0.134 10 0 "[ . 1 . 2]"
1 37 GLN 0.087 0.033 8 0 "[ . 1 . 2]"
1 38 THR 0.025 0.018 18 0 "[ . 1 . 2]"
1 39 LEU 1.695 0.135 5 0 "[ . 1 . 2]"
1 41 LYS 0.367 0.099 19 0 "[ . 1 . 2]"
1 42 ALA 1.535 0.241 6 0 "[ . 1 . 2]"
1 48 ILE 0.034 0.034 5 0 "[ . 1 . 2]"
1 49 LEU 1.535 0.241 6 0 "[ . 1 . 2]"
1 51 ASN 0.894 0.135 5 0 "[ . 1 . 2]"
1 52 PRO 0.101 0.026 7 0 "[ . 1 . 2]"
1 53 ASN 0.384 0.046 2 0 "[ . 1 . 2]"
1 54 PRO 0.128 0.069 18 0 "[ . 1 . 2]"
1 55 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 56 ASP 3.688 0.226 18 0 "[ . 1 . 2]"
1 57 TYR 8.346 0.355 8 0 "[ . 1 . 2]"
1 58 VAL 13.153 0.272 15 0 "[ . 1 . 2]"
1 59 LEU 1.546 0.136 2 0 "[ . 1 . 2]"
1 60 LEU 5.545 0.208 18 0 "[ . 1 . 2]"
1 61 GLU 2.113 0.104 19 0 "[ . 1 . 2]"
1 62 GLU 5.570 0.157 1 0 "[ . 1 . 2]"
1 63 VAL 9.691 0.216 15 0 "[ . 1 . 2]"
1 64 VAL 0.624 0.055 8 0 "[ . 1 . 2]"
1 65 LYS 1.528 0.167 18 0 "[ . 1 . 2]"
1 66 ASP 1.393 0.124 3 0 "[ . 1 . 2]"
1 67 THR 0.717 0.100 5 0 "[ . 1 . 2]"
1 75 PRO 0.782 0.100 5 0 "[ . 1 . 2]"
1 76 LYS 1.257 0.124 3 0 "[ . 1 . 2]"
1 77 SER 1.875 0.167 18 0 "[ . 1 . 2]"
1 78 SER 0.268 0.047 15 0 "[ . 1 . 2]"
1 79 GLN 4.576 0.157 1 0 "[ . 1 . 2]"
1 80 ARG 1.597 0.147 2 0 "[ . 1 . 2]"
1 81 VAL 6.135 0.208 18 0 "[ . 1 . 2]"
1 82 LEU 6.482 0.255 13 0 "[ . 1 . 2]"
1 84 ASP 0.975 0.123 11 0 "[ . 1 . 2]"
1 85 GLN 1.010 0.163 5 0 "[ . 1 . 2]"
1 86 GLU 0.200 0.094 5 0 "[ . 1 . 2]"
1 87 CYS 1.365 0.100 6 0 "[ . 1 . 2]"
1 88 VAL 3.413 0.211 4 0 "[ . 1 . 2]"
1 89 PHE 6.763 0.294 5 0 "[ . 1 . 2]"
1 91 ALA 0.891 0.122 8 0 "[ . 1 . 2]"
1 92 GLN 1.921 0.130 5 0 "[ . 1 . 2]"
1 95 TRP 2.140 0.104 19 0 "[ . 1 . 2]"
1 96 LYS 2.539 0.216 15 0 "[ . 1 . 2]"
1 97 GLY 1.124 0.104 12 0 "[ . 1 . 2]"
1 98 ALA 1.557 0.119 18 0 "[ . 1 . 2]"
1 99 GLY 2.272 0.124 13 0 "[ . 1 . 2]"
1 100 LYS 7.361 0.240 2 0 "[ . 1 . 2]"
1 101 PHE 8.478 0.307 9 0 "[ . 1 . 2]"
1 102 ILE 0.482 0.064 11 0 "[ . 1 . 2]"
1 103 LEU 2.695 0.136 2 0 "[ . 1 . 2]"
1 104 LYS 1.573 0.145 18 0 "[ . 1 . 2]"
1 105 LEU 8.221 0.355 8 0 "[ . 1 . 2]"
1 106 LYS 8.879 0.272 15 0 "[ . 1 . 2]"
1 109 VAL 2.422 0.205 16 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 5 GLU HA 1 27 ARG HD3 4.000 . 5.000 4.661 3.362 5.056 0.056 20 0 "[ . 1 . 2]" 3
2 1 5 GLU HA 1 27 ARG HD2 4.000 . 5.000 4.148 2.806 5.108 0.108 10 0 "[ . 1 . 2]" 3
3 1 6 SER HA 1 26 PRO HB2 4.000 . 5.000 4.868 4.567 5.076 0.076 12 0 "[ . 1 . 2]" 3
4 1 6 SER HA 1 27 ARG HG2 4.000 . 5.000 3.947 3.392 4.381 . 0 0 "[ . 1 . 2]" 3
5 1 6 SER QB 1 24 LYS QD 4.000 . 5.000 2.862 1.983 3.934 . 0 0 "[ . 1 . 2]" 3
6 1 6 SER QB 1 26 PRO HA 4.000 . 5.000 3.170 2.386 3.783 . 0 0 "[ . 1 . 2]" 3
7 1 6 SER QB 1 24 LYS QE 3.500 . 4.000 2.758 1.757 4.035 0.043 18 0 "[ . 1 . 2]" 3
8 1 6 SER QB 1 24 LYS HG3 3.500 . 4.000 3.776 3.491 4.023 0.023 20 0 "[ . 1 . 2]" 3
9 1 6 SER QB 1 24 LYS HG2 3.000 . 3.500 2.265 2.015 2.617 . 0 0 "[ . 1 . 2]" 3
10 1 6 SER HA 1 26 PRO HA 3.000 . 3.500 2.126 1.793 2.367 0.007 7 0 "[ . 1 . 2]" 3
11 1 6 SER HA 1 26 PRO HB3 4.000 . 5.000 4.131 3.864 4.425 . 0 0 "[ . 1 . 2]" 3
12 1 6 SER HA 1 27 ARG HA 4.000 . 5.000 4.417 4.043 4.694 . 0 0 "[ . 1 . 2]" 3
13 1 6 SER HA 1 27 ARG H 4.000 . 5.000 2.561 2.105 2.993 . 0 0 "[ . 1 . 2]" 3
14 1 6 SER HB2 1 25 ALA H 4.000 . 5.000 4.552 3.718 5.079 0.079 14 0 "[ . 1 . 2]" 3
15 1 7 PHE QD 1 25 ALA H 4.500 . 5.500 4.332 4.129 4.450 . 0 0 "[ . 1 . 2]" 3
16 1 7 PHE QE 1 89 PHE H 4.500 . 5.500 4.138 3.674 4.614 . 0 0 "[ . 1 . 2]" 3
17 1 7 PHE H 1 25 ALA H 4.000 . 5.000 3.589 3.116 3.945 . 0 0 "[ . 1 . 2]" 3
18 1 7 PHE H 1 27 ARG H 4.000 . 5.000 3.568 3.172 4.116 . 0 0 "[ . 1 . 2]" 3
19 1 7 PHE HZ 1 89 PHE H 4.000 . 5.000 4.109 3.647 4.769 . 0 0 "[ . 1 . 2]" 3
20 1 7 PHE H 1 24 LYS HG3 4.000 . 5.000 4.815 4.367 5.049 0.049 1 0 "[ . 1 . 2]" 3
21 1 7 PHE H 1 24 LYS HG2 4.000 . 5.000 3.588 3.054 3.889 . 0 0 "[ . 1 . 2]" 3
22 1 7 PHE H 1 24 LYS HA 4.000 . 5.000 4.583 4.139 4.955 . 0 0 "[ . 1 . 2]" 3
23 1 7 PHE H 1 26 PRO HA 4.000 . 5.000 3.351 3.111 3.618 . 0 0 "[ . 1 . 2]" 3
24 1 7 PHE HB2 1 27 ARG HA 3.500 . 4.000 4.243 4.207 4.290 0.290 18 0 "[ . 1 . 2]" 3
25 1 7 PHE QD 1 27 ARG HA 3.500 . 4.000 1.819 1.765 2.014 0.035 15 0 "[ . 1 . 2]" 3
26 1 7 PHE QE 1 27 ARG HA 3.500 . 4.000 3.163 3.010 3.416 . 0 0 "[ . 1 . 2]" 3
27 1 7 PHE HZ 1 89 PHE HA 4.000 . 5.000 3.874 3.270 4.837 . 0 0 "[ . 1 . 2]" 3
28 1 7 PHE QD 1 27 ARG HG2 4.500 . 5.500 2.964 2.794 3.066 . 0 0 "[ . 1 . 2]" 3
29 1 7 PHE QE 1 88 VAL HB 4.500 . 5.500 3.618 3.234 4.571 . 0 0 "[ . 1 . 2]" 3
30 1 7 PHE QE 1 88 VAL MG2 5.000 . 6.000 3.998 2.933 4.525 . 0 0 "[ . 1 . 2]" 3
31 1 7 PHE QE 1 27 ARG HG2 4.000 . 5.000 5.034 4.895 5.091 0.091 20 0 "[ . 1 . 2]" 3
32 1 7 PHE HZ 1 34 VAL MG2 5.000 . 6.000 3.882 3.595 4.255 . 0 0 "[ . 1 . 2]" 3
33 1 7 PHE QD 1 27 ARG HG3 4.000 . 5.000 3.436 3.099 3.865 . 0 0 "[ . 1 . 2]" 3
34 1 7 PHE HZ 1 88 VAL HB 3.500 . 4.000 2.917 2.324 3.570 . 0 0 "[ . 1 . 2]" 3
35 1 7 PHE HZ 1 88 VAL MG2 4.000 . 5.000 3.308 1.788 3.938 0.012 7 0 "[ . 1 . 2]" 3
36 1 7 PHE QD 1 89 PHE HA 4.000 . 5.000 4.536 3.938 5.011 0.011 3 0 "[ . 1 . 2]" 3
37 1 7 PHE QE 1 89 PHE HA 4.000 . 5.000 3.766 3.326 4.526 . 0 0 "[ . 1 . 2]" 3
38 1 7 PHE QD 1 89 PHE QD 4.500 . 5.500 3.344 2.951 4.258 . 0 0 "[ . 1 . 2]" 3
39 1 7 PHE QE 1 89 PHE QD 4.500 . 5.500 3.997 3.360 4.878 . 0 0 "[ . 1 . 2]" 3
40 1 7 PHE HB3 1 89 PHE QE 4.000 . 5.000 3.863 2.841 5.015 0.015 3 0 "[ . 1 . 2]" 3
41 1 7 PHE QE 1 25 ALA MB 4.000 . 5.000 2.981 2.615 3.363 . 0 0 "[ . 1 . 2]" 3
42 1 7 PHE QE 1 89 PHE HB3 4.500 . 5.500 4.509 4.115 5.359 . 0 0 "[ . 1 . 2]" 3
43 1 7 PHE QE 1 89 PHE HB2 4.500 . 5.500 3.225 2.737 4.140 . 0 0 "[ . 1 . 2]" 3
44 1 8 PHE HA 1 24 LYS HG2 3.000 . 3.500 3.602 3.532 3.686 0.186 9 0 "[ . 1 . 2]" 3
45 1 8 PHE HB3 1 24 LYS HA 4.000 . 5.000 4.543 4.125 4.812 . 0 0 "[ . 1 . 2]" 3
46 1 8 PHE QE 1 24 LYS HB3 4.000 . 5.000 4.728 4.238 5.028 0.028 20 0 "[ . 1 . 2]" 3
47 1 8 PHE QE 1 24 LYS HB2 5.000 . 6.000 3.261 2.722 3.679 . 0 0 "[ . 1 . 2]" 3
48 1 8 PHE QE 1 24 LYS QE 4.000 . 5.000 3.181 2.360 4.203 . 0 0 "[ . 1 . 2]" 3
49 1 8 PHE HZ 1 24 LYS QE 3.500 . 4.000 3.278 2.374 4.109 0.109 18 0 "[ . 1 . 2]" 3
50 1 8 PHE QD 1 22 VAL QG 4.000 . 5.000 3.113 2.851 3.508 . 0 0 "[ . 1 . 2]" 3
51 1 8 PHE QD 1 24 LYS QD 4.500 . 5.500 4.149 3.405 4.514 . 0 0 "[ . 1 . 2]" 3
52 1 8 PHE QD 1 24 LYS QE 4.500 . 5.500 4.068 3.476 5.033 . 0 0 "[ . 1 . 2]" 3
53 1 8 PHE QD 1 24 LYS HG3 4.500 . 5.500 3.072 2.861 3.231 . 0 0 "[ . 1 . 2]" 3
54 1 8 PHE QE 1 22 VAL QG 5.000 . 6.000 4.217 3.904 4.859 . 0 0 "[ . 1 . 2]" 3
55 1 8 PHE QE 1 24 LYS QD 3.500 . 4.000 3.130 2.538 3.519 . 0 0 "[ . 1 . 2]" 3
56 1 8 PHE HZ 1 24 LYS QD 3.000 . 3.500 3.232 2.474 3.517 0.017 5 0 "[ . 1 . 2]" 3
57 1 8 PHE HZ 1 24 LYS HG3 4.000 . 5.000 3.967 3.389 4.435 . 0 0 "[ . 1 . 2]" 3
58 1 8 PHE HB3 1 22 VAL QG 4.000 . 5.000 3.555 3.146 3.739 . 0 0 "[ . 1 . 2]" 3
59 1 8 PHE HB2 1 22 VAL QG 4.000 . 5.000 4.928 4.471 5.077 0.077 16 0 "[ . 1 . 2]" 3
60 1 8 PHE HA 1 24 LYS HA 3.000 . 3.500 2.241 2.027 2.440 . 0 0 "[ . 1 . 2]" 3
61 1 8 PHE QD 1 24 LYS HA 4.500 . 5.500 3.618 3.280 3.923 . 0 0 "[ . 1 . 2]" 3
62 1 8 PHE QE 1 24 LYS HA 4.500 . 5.500 4.800 4.418 5.205 . 0 0 "[ . 1 . 2]" 3
63 1 8 PHE HA 1 22 VAL QG 4.500 . 5.500 4.553 4.327 4.865 . 0 0 "[ . 1 . 2]" 3
64 1 8 PHE HA 1 24 LYS HB3 4.000 . 5.000 4.838 4.499 5.000 . 0 0 "[ . 1 . 2]" 3
65 1 8 PHE HA 1 24 LYS HB2 4.000 . 5.000 4.003 3.475 4.407 . 0 0 "[ . 1 . 2]" 3
66 1 8 PHE HA 1 24 LYS HG3 4.000 . 5.000 2.828 2.385 3.382 . 0 0 "[ . 1 . 2]" 3
67 1 8 PHE HA 1 25 ALA H 4.000 . 5.000 3.428 3.185 3.636 . 0 0 "[ . 1 . 2]" 3
68 1 8 PHE QE 1 24 LYS H 4.500 . 5.500 5.460 5.090 5.535 0.035 11 0 "[ . 1 . 2]" 3
69 1 8 PHE H 1 24 LYS HA 4.000 . 5.000 4.734 4.591 4.944 . 0 0 "[ . 1 . 2]" 3
70 1 9 VAL MG2 1 101 PHE H 4.500 . 5.500 5.722 5.668 5.807 0.307 9 0 "[ . 1 . 2]" 3
71 1 9 VAL HB 1 25 ALA H 4.000 . 5.000 4.467 4.070 5.008 0.008 14 0 "[ . 1 . 2]" 3
72 1 9 VAL H 1 23 ILE H 4.000 . 5.000 3.269 3.102 3.543 . 0 0 "[ . 1 . 2]" 3
73 1 9 VAL H 1 25 ALA H 4.000 . 5.000 3.468 3.120 3.935 . 0 0 "[ . 1 . 2]" 3
74 1 9 VAL H 1 22 VAL HA 4.000 . 5.000 4.815 4.627 5.038 0.038 4 0 "[ . 1 . 2]" 3
75 1 9 VAL H 1 22 VAL QG 4.500 . 5.500 3.937 3.702 4.223 . 0 0 "[ . 1 . 2]" 3
76 1 9 VAL H 1 23 ILE HG12 4.000 . 5.000 4.327 4.048 4.945 . 0 0 "[ . 1 . 2]" 3
77 1 9 VAL HA 1 34 VAL MG2 4.500 . 5.500 5.297 5.015 5.559 0.059 16 0 "[ . 1 . 2]" 3
78 1 9 VAL MG2 1 101 PHE QD 4.000 . 5.000 4.035 3.827 4.197 . 0 0 "[ . 1 . 2]" 3
79 1 9 VAL MG2 1 101 PHE QE 4.500 . 5.500 4.253 3.891 4.654 . 0 0 "[ . 1 . 2]" 3
80 1 9 VAL HB 1 23 ILE HG13 3.000 . 3.500 1.898 1.755 2.321 0.045 5 0 "[ . 1 . 2]" 3
81 1 9 VAL HB 1 23 ILE HG12 3.000 . 3.500 2.677 2.411 3.189 . 0 0 "[ . 1 . 2]" 3
82 1 9 VAL MG1 1 23 ILE HG12 3.500 . 4.000 3.800 3.540 4.032 0.032 16 0 "[ . 1 . 2]" 3
83 1 9 VAL MG2 1 23 ILE HB 3.500 . 4.000 4.123 4.087 4.160 0.160 15 0 "[ . 1 . 2]" 3
84 1 9 VAL MG2 1 25 ALA HA 4.500 . 5.500 4.219 4.015 4.482 . 0 0 "[ . 1 . 2]" 3
85 1 10 GLN HA 1 20 LEU MD2 3.500 . 4.000 3.948 3.079 4.114 0.114 16 0 "[ . 1 . 2]" 3
86 1 10 GLN HB3 1 22 VAL QG 4.000 . 5.000 3.689 2.332 5.038 0.038 18 0 "[ . 1 . 2]" 3
87 1 10 GLN HB2 1 22 VAL QG 4.000 . 5.000 4.158 2.554 4.959 . 0 0 "[ . 1 . 2]" 3
88 1 10 GLN HA 1 20 LEU MD1 4.500 . 5.500 3.272 2.528 4.355 . 0 0 "[ . 1 . 2]" 3
89 1 10 GLN HB3 1 20 LEU MD1 4.000 . 5.000 2.213 1.733 4.058 0.067 11 0 "[ . 1 . 2]" 3
90 1 10 GLN HB2 1 20 LEU MD1 4.500 . 5.500 3.006 1.779 4.135 0.021 16 0 "[ . 1 . 2]" 3
91 1 10 GLN HG3 1 20 LEU MD1 4.500 . 5.500 3.951 1.797 4.642 0.003 18 0 "[ . 1 . 2]" 3
92 1 10 GLN HG2 1 20 LEU MD1 4.500 . 5.500 3.353 2.088 4.058 . 0 0 "[ . 1 . 2]" 3
93 1 10 GLN HG3 1 22 VAL HA 4.000 . 5.000 4.350 2.894 5.165 0.165 16 0 "[ . 1 . 2]" 3
94 1 10 GLN HB2 1 22 VAL HA 4.000 . 5.000 4.893 3.188 5.166 0.166 14 0 "[ . 1 . 2]" 3
95 1 10 GLN HA 1 23 ILE H 3.500 . 4.000 3.392 2.644 4.025 0.025 20 0 "[ . 1 . 2]" 3
96 1 10 GLN H 1 101 PHE QD 4.500 . 5.500 3.614 3.267 4.090 . 0 0 "[ . 1 . 2]" 3
97 1 11 VAL MG2 1 101 PHE H 4.500 . 5.500 4.570 3.906 5.276 . 0 0 "[ . 1 . 2]" 3
98 1 11 VAL H 1 20 LEU QD 5.000 . 6.000 3.078 2.737 3.871 . 0 0 "[ . 1 . 2]" 3
99 1 11 VAL MG1 1 100 LYS HB3 4.000 . 5.000 5.156 5.020 5.240 0.240 2 0 "[ . 1 . 2]" 3
100 1 11 VAL MG1 1 34 VAL HA 4.000 . 5.000 5.211 5.143 5.296 0.296 20 0 "[ . 1 . 2]" 3
101 1 11 VAL MG1 1 101 PHE QD 4.500 . 5.500 4.030 2.698 4.749 . 0 0 "[ . 1 . 2]" 3
102 1 11 VAL HA 1 20 LEU MD1 4.500 . 5.500 3.634 3.156 5.562 0.062 6 0 "[ . 1 . 2]" 3
103 1 11 VAL MG1 1 101 PHE HB2 4.000 . 5.000 3.155 1.771 3.914 0.029 4 0 "[ . 1 . 2]" 3
104 1 11 VAL MG1 1 101 PHE HB3 4.500 . 5.500 4.240 2.768 4.965 . 0 0 "[ . 1 . 2]" 3
105 1 11 VAL HB 1 21 THR HB 4.000 . 5.000 4.938 2.904 5.094 0.094 1 0 "[ . 1 . 2]" 3
106 1 11 VAL MG1 1 21 THR HB 4.000 . 5.000 2.937 2.267 4.411 . 0 0 "[ . 1 . 2]" 3
107 1 11 VAL MG2 1 21 THR HB 4.000 . 5.000 3.034 2.185 3.660 . 0 0 "[ . 1 . 2]" 3
108 1 11 VAL HA 1 101 PHE HB3 4.000 . 5.000 4.438 4.270 4.664 . 0 0 "[ . 1 . 2]" 3
109 1 11 VAL MG2 1 101 PHE HA 4.500 . 5.500 4.896 3.983 5.689 0.189 4 0 "[ . 1 . 2]" 3
110 1 11 VAL HA 1 101 PHE HB2 4.000 . 5.000 3.236 3.009 3.486 . 0 0 "[ . 1 . 2]" 3
111 1 12 HIS QB 1 102 ILE HA 3.500 . 4.000 2.801 2.431 3.366 . 0 0 "[ . 1 . 2]" 3
112 1 12 HIS HD2 1 100 LYS HA 4.000 . 5.000 4.989 4.642 5.065 0.065 9 0 "[ . 1 . 2]" 3
113 1 12 HIS HA 1 20 LEU HA 3.500 . 4.000 2.341 1.772 3.036 0.028 5 0 "[ . 1 . 2]" 3
114 1 12 HIS HA 1 21 THR HA 4.000 . 5.000 5.175 5.128 5.278 0.278 6 0 "[ . 1 . 2]" 3
115 1 12 HIS HA 1 20 LEU MD1 4.500 . 5.500 3.110 2.352 5.061 . 0 0 "[ . 1 . 2]" 3
116 1 12 HIS QB 1 102 ILE MD 4.000 . 5.000 3.301 2.579 3.738 . 0 0 "[ . 1 . 2]" 3
117 1 12 HIS QB 1 102 ILE HG13 3.500 . 4.000 2.520 1.736 4.015 0.064 11 0 "[ . 1 . 2]" 3
118 1 12 HIS QB 1 102 ILE HG12 3.500 . 4.000 2.823 1.861 3.396 . 0 0 "[ . 1 . 2]" 3
119 1 12 HIS QB 1 102 ILE MG 4.500 . 5.500 2.656 2.088 3.339 . 0 0 "[ . 1 . 2]" 3
120 1 12 HIS HB2 1 100 LYS QD 4.000 . 5.000 4.846 3.540 5.152 0.152 13 0 "[ . 1 . 2]" 3
121 1 12 HIS HD2 1 20 LEU MD1 4.500 . 5.500 2.830 1.830 4.347 . 0 0 "[ . 1 . 2]" 3
122 1 12 HIS HD2 1 100 LYS HB3 4.000 . 5.000 2.829 2.270 3.301 . 0 0 "[ . 1 . 2]" 3
123 1 12 HIS HD2 1 100 LYS HB2 4.000 . 5.000 2.573 2.099 3.893 . 0 0 "[ . 1 . 2]" 3
124 1 12 HIS HE1 1 20 LEU MD2 4.500 . 5.500 4.271 3.592 5.560 0.060 16 0 "[ . 1 . 2]" 3
125 1 12 HIS HE1 1 20 LEU MD1 4.000 . 5.000 3.559 2.971 4.433 . 0 0 "[ . 1 . 2]" 3
126 1 12 HIS HD2 1 100 LYS QD 3.500 . 4.000 2.543 2.139 2.950 . 0 0 "[ . 1 . 2]" 3
127 1 12 HIS HE1 1 100 LYS QD 5.000 . 6.000 4.157 3.233 5.395 . 0 0 "[ . 1 . 2]" 3
128 1 12 HIS HE1 1 100 LYS HE3 5.000 . 6.000 5.204 3.281 6.067 0.067 7 0 "[ . 1 . 2]" 3
129 1 12 HIS H 1 102 ILE HA 4.000 . 5.000 2.421 2.173 2.596 . 0 0 "[ . 1 . 2]" 3
130 1 13 ASP H 1 19 PRO HA 4.000 . 5.000 4.195 3.475 5.029 0.029 7 0 "[ . 1 . 2]" 3
131 1 20 LEU MD1 1 100 LYS QD 3.000 . 3.500 3.061 1.767 3.602 0.102 19 0 "[ . 1 . 2]" 3
132 1 21 THR MG 1 41 LYS QE 4.500 . 5.500 3.389 1.840 4.780 . 0 0 "[ . 1 . 2]" 3
133 1 21 THR MG 1 38 THR HA 4.500 . 5.500 3.688 3.181 4.254 . 0 0 "[ . 1 . 2]" 3
134 1 21 THR HB 1 38 THR MG 4.000 . 5.000 3.441 3.049 3.877 . 0 0 "[ . 1 . 2]" 3
135 1 23 ILE MG 1 38 THR HA 3.500 . 4.000 3.544 2.739 4.008 0.008 19 0 "[ . 1 . 2]" 3
136 1 23 ILE MD 1 37 GLN QB 3.500 . 4.000 2.967 2.507 3.494 . 0 0 "[ . 1 . 2]" 3
137 1 23 ILE MD 1 37 GLN HG3 4.500 . 5.500 4.085 2.630 5.444 . 0 0 "[ . 1 . 2]" 3
138 1 23 ILE MD 1 37 GLN HG2 4.500 . 5.500 3.169 1.858 4.521 . 0 0 "[ . 1 . 2]" 3
139 1 23 ILE MD 1 37 GLN HA 4.500 . 5.500 5.117 4.814 5.530 0.030 16 0 "[ . 1 . 2]" 3
140 1 23 ILE MG 1 41 LYS QG 4.000 . 5.000 2.915 1.795 4.578 0.005 4 0 "[ . 1 . 2]" 3
141 1 23 ILE MG 1 37 GLN QB 4.000 . 5.000 4.200 3.366 4.768 . 0 0 "[ . 1 . 2]" 3
142 1 23 ILE MG 1 37 GLN HG3 4.500 . 5.500 4.474 2.654 5.533 0.033 8 0 "[ . 1 . 2]" 3
143 1 23 ILE MG 1 37 GLN HG2 4.500 . 5.500 3.754 3.061 5.086 . 0 0 "[ . 1 . 2]" 3
144 1 23 ILE MG 1 41 LYS QE 4.500 . 5.500 2.475 1.872 2.987 . 0 0 "[ . 1 . 2]" 3
145 1 23 ILE HA 1 41 LYS QE 3.500 . 4.000 3.900 3.574 4.099 0.099 19 0 "[ . 1 . 2]" 3
146 1 25 ALA HA 1 34 VAL MG2 4.000 . 5.000 4.695 4.376 5.007 0.007 18 0 "[ . 1 . 2]" 3
147 1 26 PRO HD2 1 34 VAL MG2 4.000 . 5.000 4.480 4.304 4.608 . 0 0 "[ . 1 . 2]" 3
148 1 26 PRO HD3 1 34 VAL MG2 4.000 . 5.000 5.061 5.028 5.101 0.101 18 0 "[ . 1 . 2]" 3
149 1 27 ARG HA 1 89 PHE HB3 4.000 . 5.000 3.924 3.327 4.377 . 0 0 "[ . 1 . 2]" 3
150 1 27 ARG HA 1 89 PHE HB2 4.000 . 5.000 2.807 2.313 3.313 . 0 0 "[ . 1 . 2]" 3
151 1 27 ARG HD3 1 89 PHE QE 4.000 . 5.000 4.524 3.674 5.040 0.040 15 0 "[ . 1 . 2]" 3
152 1 27 ARG HD2 1 89 PHE QE 4.500 . 5.500 4.813 3.946 5.514 0.014 20 0 "[ . 1 . 2]" 3
153 1 27 ARG HA 1 89 PHE QD 4.500 . 5.500 3.145 2.683 3.769 . 0 0 "[ . 1 . 2]" 3
154 1 28 VAL H 1 89 PHE HB3 4.000 . 5.000 5.107 5.053 5.185 0.185 9 0 "[ . 1 . 2]" 3
155 1 29 SER H 1 88 VAL MG2 4.500 . 5.500 5.266 4.419 5.584 0.084 19 0 "[ . 1 . 2]" 3
156 1 29 SER QB 1 88 VAL MG2 4.500 . 5.500 3.521 3.170 3.740 . 0 0 "[ . 1 . 2]" 3
157 1 30 THR HA 1 88 VAL MG2 4.500 . 5.500 2.145 1.941 2.533 . 0 0 "[ . 1 . 2]" 3
158 1 30 THR MG 1 87 CYS HB2 4.500 . 5.500 5.098 3.956 5.600 0.100 6 0 "[ . 1 . 2]" 3
159 1 30 THR HA 1 85 GLN HA 4.000 . 5.000 4.870 4.622 5.071 0.071 2 0 "[ . 1 . 2]" 3
160 1 30 THR HB 1 85 GLN HA 3.000 . 3.500 3.155 2.300 3.502 0.002 11 0 "[ . 1 . 2]" 3
161 1 30 THR MG 1 85 GLN HA 3.000 . 3.500 2.614 2.146 3.308 . 0 0 "[ . 1 . 2]" 3
162 1 30 THR HB 1 85 GLN HB3 4.000 . 5.000 4.746 3.698 5.066 0.066 10 0 "[ . 1 . 2]" 3
163 1 30 THR HA 1 87 CYS HA 3.000 . 3.500 2.004 1.821 2.144 . 0 0 "[ . 1 . 2]" 3
164 1 30 THR HB 1 87 CYS HA 3.000 . 3.500 1.863 1.739 2.208 0.061 12 0 "[ . 1 . 2]" 3
165 1 30 THR MG 1 85 GLN HB3 4.500 . 5.500 3.190 2.429 4.256 . 0 0 "[ . 1 . 2]" 3
166 1 30 THR MG 1 87 CYS HA 3.000 . 3.500 3.217 2.059 3.599 0.099 8 0 "[ . 1 . 2]" 3
167 1 30 THR HA 1 87 CYS HB3 4.000 . 5.000 4.171 3.689 4.902 . 0 0 "[ . 1 . 2]" 3
168 1 30 THR HA 1 87 CYS HB2 4.000 . 5.000 4.873 4.424 5.023 0.023 12 0 "[ . 1 . 2]" 3
169 1 30 THR HB 1 85 GLN HB2 4.000 . 5.000 4.726 4.307 5.163 0.163 5 0 "[ . 1 . 2]" 3
170 1 30 THR MG 1 85 GLN HB2 4.000 . 5.000 3.819 3.290 4.765 . 0 0 "[ . 1 . 2]" 3
171 1 30 THR HA 1 88 VAL H 4.000 . 5.000 1.673 1.589 1.760 0.211 4 0 "[ . 1 . 2]" 3
172 1 30 THR HB 1 87 CYS H 4.000 . 5.000 2.680 1.855 3.430 . 0 0 "[ . 1 . 2]" 3
173 1 30 THR HB 1 89 PHE H 4.000 . 5.000 5.221 5.138 5.294 0.294 5 0 "[ . 1 . 2]" 3
174 1 30 THR MG 1 86 GLU H 4.500 . 5.500 4.705 4.369 5.157 . 0 0 "[ . 1 . 2]" 3
175 1 30 THR MG 1 85 GLN H 4.500 . 5.500 4.969 4.556 5.558 0.058 2 0 "[ . 1 . 2]" 3
176 1 31 ALA MB 1 86 GLU H 4.500 . 5.500 3.355 2.921 3.659 . 0 0 "[ . 1 . 2]" 3
177 1 31 ALA MB 1 84 ASP H 4.000 . 5.000 4.567 3.347 5.009 0.009 9 0 "[ . 1 . 2]" 3
178 1 31 ALA MB 1 85 GLN H 4.500 . 5.500 4.588 3.968 5.076 . 0 0 "[ . 1 . 2]" 3
179 1 31 ALA H 1 88 VAL MG2 4.500 . 5.500 2.963 2.630 3.665 . 0 0 "[ . 1 . 2]" 3
180 1 31 ALA H 1 85 GLN HA 4.000 . 5.000 3.694 3.051 4.328 . 0 0 "[ . 1 . 2]" 3
181 1 31 ALA H 1 86 GLU H 4.000 . 5.000 3.697 3.451 4.015 . 0 0 "[ . 1 . 2]" 3
182 1 31 ALA H 1 88 VAL H 4.000 . 5.000 3.547 2.747 3.925 . 0 0 "[ . 1 . 2]" 3
183 1 31 ALA HA 1 88 VAL MG1 4.000 . 5.000 3.859 1.754 4.677 0.046 2 0 "[ . 1 . 2]" 3
184 1 31 ALA HA 1 88 VAL MG2 3.000 . 3.500 2.567 2.188 3.315 . 0 0 "[ . 1 . 2]" 3
185 1 31 ALA HA 1 82 LEU MD1 4.500 . 5.500 3.224 2.878 3.363 . 0 0 "[ . 1 . 2]" 3
186 1 31 ALA MB 1 88 VAL MG1 4.000 . 5.000 4.320 2.209 5.060 0.060 10 0 "[ . 1 . 2]" 3
187 1 31 ALA MB 1 88 VAL MG2 3.500 . 4.000 3.381 3.054 4.075 0.075 8 0 "[ . 1 . 2]" 3
188 1 31 ALA MB 1 82 LEU HA 4.000 . 5.000 4.627 4.247 4.925 . 0 0 "[ . 1 . 2]" 3
189 1 31 ALA MB 1 82 LEU MD1 3.500 . 4.000 2.013 1.791 2.226 0.009 9 0 "[ . 1 . 2]" 3
190 1 31 ALA MB 1 82 LEU HG 3.500 . 4.000 4.034 3.727 4.110 0.110 2 0 "[ . 1 . 2]" 3
191 1 31 ALA MB 1 84 ASP HA 3.500 . 4.000 2.990 2.380 3.630 . 0 0 "[ . 1 . 2]" 3
192 1 31 ALA MB 1 84 ASP QB 4.500 . 5.500 4.507 3.898 5.175 . 0 0 "[ . 1 . 2]" 3
193 1 31 ALA MB 1 82 LEU MD2 4.500 . 5.500 3.609 3.311 3.994 . 0 0 "[ . 1 . 2]" 3
194 1 31 ALA MB 1 86 GLU QB 4.000 . 5.000 3.289 3.115 3.494 . 0 0 "[ . 1 . 2]" 3
195 1 31 ALA MB 1 86 GLU HG3 4.500 . 5.500 5.207 4.653 5.594 0.094 5 0 "[ . 1 . 2]" 3
196 1 31 ALA MB 1 86 GLU HG2 4.500 . 5.500 5.097 4.639 5.529 0.029 2 0 "[ . 1 . 2]" 3
197 1 31 ALA MB 1 85 GLN HA 4.500 . 5.500 4.181 3.468 4.793 . 0 0 "[ . 1 . 2]" 3
198 1 31 ALA MB 1 88 VAL HA 4.500 . 5.500 4.565 4.158 4.864 . 0 0 "[ . 1 . 2]" 3
199 1 32 GLN QB 1 84 ASP HA 3.000 . 3.500 3.041 2.113 3.583 0.083 5 0 "[ . 1 . 2]" 3
200 1 32 GLN QG 1 84 ASP HA 3.000 . 3.500 3.341 2.827 3.609 0.109 20 0 "[ . 1 . 2]" 3
201 1 32 GLN H 1 84 ASP QB 4.000 . 5.000 4.338 3.686 5.123 0.123 11 0 "[ . 1 . 2]" 3
202 1 32 GLN H 1 85 GLN HA 4.000 . 5.000 4.048 3.140 4.677 . 0 0 "[ . 1 . 2]" 3
203 1 34 VAL MG1 1 38 THR H 4.500 . 5.500 4.727 4.473 5.026 . 0 0 "[ . 1 . 2]" 3
204 1 34 VAL HB 1 88 VAL MG2 3.500 . 4.000 2.294 2.005 2.602 . 0 0 "[ . 1 . 2]" 3
205 1 34 VAL HA 1 103 LEU MD1 4.500 . 5.500 5.517 5.307 5.571 0.071 7 0 "[ . 1 . 2]" 3
206 1 35 ILE MD 1 58 VAL HB 4.500 . 5.500 4.657 4.333 5.009 . 0 0 "[ . 1 . 2]" 3
207 1 35 ILE MG 1 54 PRO HB2 3.500 . 4.000 2.417 2.001 3.244 . 0 0 "[ . 1 . 2]" 3
208 1 35 ILE MG 1 54 PRO HG2 4.500 . 5.500 4.126 3.854 4.353 . 0 0 "[ . 1 . 2]" 3
209 1 35 ILE MD 1 57 TYR QD 4.500 . 5.500 3.189 2.806 3.574 . 0 0 "[ . 1 . 2]" 3
210 1 35 ILE MD 1 57 TYR QE 4.000 . 5.000 4.870 4.587 5.134 0.134 10 0 "[ . 1 . 2]" 3
211 1 35 ILE MG 1 57 TYR QD 4.000 . 5.000 3.321 2.856 3.719 . 0 0 "[ . 1 . 2]" 3
212 1 35 ILE MG 1 57 TYR QE 4.000 . 5.000 4.500 3.794 4.997 . 0 0 "[ . 1 . 2]" 3
213 1 35 ILE HA 1 103 LEU MD1 3.000 . 3.500 2.140 1.774 2.644 0.026 1 0 "[ . 1 . 2]" 3
214 1 35 ILE HA 1 103 LEU MD2 4.500 . 5.500 3.620 2.794 4.419 . 0 0 "[ . 1 . 2]" 3
215 1 35 ILE MD 1 54 PRO HA 4.500 . 5.500 4.325 2.790 4.967 . 0 0 "[ . 1 . 2]" 3
216 1 35 ILE MG 1 54 PRO HA 4.000 . 5.000 2.552 1.790 3.165 0.010 10 0 "[ . 1 . 2]" 3
217 1 35 ILE MG 1 57 TYR HA 4.500 . 5.500 4.643 4.337 5.106 . 0 0 "[ . 1 . 2]" 3
218 1 35 ILE MD 1 57 TYR QB 4.000 . 5.000 1.784 1.737 2.005 0.063 15 0 "[ . 1 . 2]" 3
219 1 35 ILE MG 1 57 TYR QB 3.500 . 4.000 2.136 1.830 2.523 . 0 0 "[ . 1 . 2]" 3
220 1 35 ILE MD 1 58 VAL HA 3.500 . 4.000 2.954 2.490 3.710 . 0 0 "[ . 1 . 2]" 3
221 1 35 ILE MD 1 59 LEU HA 4.500 . 5.500 3.214 2.550 4.672 . 0 0 "[ . 1 . 2]" 3
222 1 35 ILE MG 1 57 TYR H 4.000 . 5.000 3.879 3.522 4.400 . 0 0 "[ . 1 . 2]" 3
223 1 35 ILE MG 1 55 SER H 4.500 . 5.500 4.784 4.412 5.178 . 0 0 "[ . 1 . 2]" 3
224 1 38 THR HB 1 103 LEU MD1 4.000 . 5.000 2.366 1.782 2.934 0.018 18 0 "[ . 1 . 2]" 3
225 1 38 THR HB 1 103 LEU MD2 4.000 . 5.000 2.362 1.806 3.143 . 0 0 "[ . 1 . 2]" 3
226 1 39 LEU MD2 1 57 TYR QD 4.500 . 5.500 3.895 3.300 4.502 . 0 0 "[ . 1 . 2]" 3
227 1 39 LEU MD2 1 57 TYR QE 4.000 . 5.000 3.577 2.813 4.580 . 0 0 "[ . 1 . 2]" 3
228 1 39 LEU QD 1 51 ASN HB3 5.000 . 6.000 4.518 4.033 5.987 . 0 0 "[ . 1 . 2]" 3
229 1 39 LEU QD 1 51 ASN HB2 5.000 . 6.000 4.737 4.250 5.874 . 0 0 "[ . 1 . 2]" 3
230 1 39 LEU MD2 1 51 ASN HA 4.500 . 5.500 5.535 5.440 5.635 0.135 5 0 "[ . 1 . 2]" 3
231 1 39 LEU MD2 1 52 PRO HA 4.500 . 5.500 2.797 2.343 3.053 . 0 0 "[ . 1 . 2]" 3
232 1 39 LEU MD2 1 52 PRO HB3 4.000 . 5.000 4.592 4.022 5.025 0.025 7 0 "[ . 1 . 2]" 3
233 1 39 LEU MD2 1 52 PRO HB2 4.000 . 5.000 4.248 3.730 5.023 0.023 18 0 "[ . 1 . 2]" 3
234 1 39 LEU MD1 1 54 PRO HA 4.000 . 5.000 3.151 2.410 4.102 . 0 0 "[ . 1 . 2]" 3
235 1 39 LEU MD2 1 54 PRO HA 3.500 . 4.000 2.708 2.181 3.566 . 0 0 "[ . 1 . 2]" 3
236 1 39 LEU MD2 1 57 TYR QB 4.500 . 5.500 4.481 3.607 5.086 . 0 0 "[ . 1 . 2]" 3
237 1 39 LEU MD1 1 57 TYR QD 5.000 . 6.000 3.457 3.135 4.023 . 0 0 "[ . 1 . 2]" 3
238 1 39 LEU MD1 1 57 TYR QE 4.500 . 5.500 3.381 2.829 4.504 . 0 0 "[ . 1 . 2]" 3
239 1 39 LEU MD1 1 103 LEU MD1 3.500 . 4.000 3.454 2.474 4.053 0.053 4 0 "[ . 1 . 2]" 3
240 1 39 LEU MD1 1 54 PRO HB3 4.500 . 5.500 3.174 1.848 4.431 . 0 0 "[ . 1 . 2]" 3
241 1 39 LEU MD1 1 48 ILE QG 5.000 . 6.000 5.127 3.921 6.034 0.034 5 0 "[ . 1 . 2]" 3
242 1 39 LEU MD2 1 54 PRO HB3 3.500 . 4.000 2.504 1.836 3.912 . 0 0 "[ . 1 . 2]" 3
243 1 39 LEU MD2 1 54 PRO HB2 4.000 . 5.000 3.941 3.359 5.069 0.069 18 0 "[ . 1 . 2]" 3
244 1 39 LEU MD2 1 54 PRO HG3 4.000 . 5.000 3.281 2.224 4.272 . 0 0 "[ . 1 . 2]" 3
245 1 39 LEU MD2 1 54 PRO HG2 4.500 . 5.500 4.346 3.782 5.532 0.032 18 0 "[ . 1 . 2]" 3
246 1 39 LEU MD1 1 52 PRO HA 4.500 . 5.500 4.659 2.213 5.526 0.026 7 0 "[ . 1 . 2]" 3
247 1 39 LEU MD1 1 53 ASN HA 4.500 . 5.500 5.400 3.640 5.546 0.046 2 0 "[ . 1 . 2]" 3
248 1 39 LEU MD2 1 54 PRO HD3 4.500 . 5.500 3.065 2.466 4.729 . 0 0 "[ . 1 . 2]" 3
249 1 42 ALA HA 1 49 LEU MD1 5.000 . 6.000 6.049 5.443 6.241 0.241 6 0 "[ . 1 . 2]" 3
250 1 51 ASN HB2 1 105 LEU MD2 4.500 . 5.500 4.401 3.657 5.547 0.047 7 0 "[ . 1 . 2]" 3
251 1 51 ASN HB3 1 57 TYR QE 4.000 . 5.000 2.482 1.771 4.793 0.029 12 0 "[ . 1 . 2]" 3
252 1 55 SER QB 1 106 LYS QD 4.000 . 5.000 4.359 3.915 4.711 . 0 0 "[ . 1 . 2]" 3
253 1 56 ASP HA 1 105 LEU MD1 4.500 . 5.500 5.391 4.724 5.580 0.080 2 0 "[ . 1 . 2]" 3
254 1 56 ASP HB3 1 105 LEU MD1 4.000 . 5.000 4.026 2.832 4.413 . 0 0 "[ . 1 . 2]" 3
255 1 56 ASP HB2 1 105 LEU MD1 3.500 . 4.000 3.880 2.924 4.108 0.108 6 0 "[ . 1 . 2]" 3
256 1 56 ASP HA 1 105 LEU MD2 4.500 . 5.500 4.814 3.854 5.419 . 0 0 "[ . 1 . 2]" 3
257 1 56 ASP HA 1 106 LYS QD 2.500 . 3.000 2.191 1.905 2.705 . 0 0 "[ . 1 . 2]" 3
258 1 56 ASP HA 1 106 LYS QE 3.500 . 4.000 4.095 4.031 4.226 0.226 18 0 "[ . 1 . 2]" 3
259 1 56 ASP HA 1 106 LYS HG3 3.500 . 4.000 3.240 2.395 3.844 . 0 0 "[ . 1 . 2]" 3
260 1 56 ASP HA 1 106 LYS HG2 3.500 . 4.000 2.776 2.471 3.317 . 0 0 "[ . 1 . 2]" 3
261 1 56 ASP HB2 1 105 LEU MD2 4.500 . 5.500 3.612 2.531 4.358 . 0 0 "[ . 1 . 2]" 3
262 1 56 ASP H 1 105 LEU MD1 4.500 . 5.500 5.390 4.563 5.603 0.103 9 0 "[ . 1 . 2]" 3
263 1 57 TYR HA 1 106 LYS H 4.000 . 5.000 2.547 2.100 2.848 . 0 0 "[ . 1 . 2]" 3
264 1 57 TYR QB 1 104 LYS H 4.000 . 5.000 3.824 3.355 4.470 . 0 0 "[ . 1 . 2]" 3
265 1 57 TYR QB 1 106 LYS H 4.000 . 5.000 4.583 4.227 4.849 . 0 0 "[ . 1 . 2]" 3
266 1 57 TYR QD 1 104 LYS H 4.500 . 5.500 3.585 3.048 4.506 . 0 0 "[ . 1 . 2]" 3
267 1 57 TYR QD 1 105 LEU H 4.500 . 5.500 4.796 4.471 5.222 . 0 0 "[ . 1 . 2]" 3
268 1 57 TYR QD 1 106 LYS H 4.500 . 5.500 5.025 4.694 5.224 . 0 0 "[ . 1 . 2]" 3
269 1 57 TYR QE 1 105 LEU H 4.500 . 5.500 5.524 5.039 5.624 0.124 16 0 "[ . 1 . 2]" 3
270 1 57 TYR H 1 106 LYS QD 4.000 . 5.000 3.270 2.719 3.714 . 0 0 "[ . 1 . 2]" 3
271 1 57 TYR H 1 106 LYS HB3 4.000 . 5.000 4.987 4.697 5.095 0.095 4 0 "[ . 1 . 2]" 3
272 1 57 TYR H 1 106 LYS H 4.000 . 5.000 4.257 3.897 4.452 . 0 0 "[ . 1 . 2]" 3
273 1 57 TYR H 1 105 LEU MD1 4.500 . 5.500 4.974 4.189 5.573 0.073 7 0 "[ . 1 . 2]" 3
274 1 57 TYR QE 1 105 LEU MD2 5.000 . 6.000 4.009 2.621 4.637 . 0 0 "[ . 1 . 2]" 3
275 1 57 TYR QB 1 105 LEU HA 4.000 . 5.000 3.658 3.265 4.070 . 0 0 "[ . 1 . 2]" 3
276 1 57 TYR HA 1 105 LEU MD2 4.500 . 5.500 4.051 1.788 4.756 0.012 9 0 "[ . 1 . 2]" 3
277 1 57 TYR HA 1 105 LEU HA 3.000 . 3.500 1.793 1.651 2.062 0.149 8 0 "[ . 1 . 2]" 3
278 1 57 TYR QD 1 105 LEU HA 4.500 . 5.500 3.707 3.328 4.201 . 0 0 "[ . 1 . 2]" 3
279 1 57 TYR HA 1 105 LEU MD1 4.500 . 5.500 3.306 2.625 4.388 . 0 0 "[ . 1 . 2]" 3
280 1 57 TYR QB 1 103 LEU MD2 3.500 . 4.000 3.964 3.601 4.070 0.070 11 0 "[ . 1 . 2]" 3
281 1 57 TYR HA 1 105 LEU HB3 3.500 . 4.000 4.133 3.813 4.355 0.355 8 0 "[ . 1 . 2]" 3
282 1 57 TYR HA 1 105 LEU HG 3.500 . 4.000 3.306 2.830 4.229 0.229 4 0 "[ . 1 . 2]" 3
283 1 57 TYR QB 1 105 LEU MD1 4.500 . 5.500 4.047 3.494 5.440 . 0 0 "[ . 1 . 2]" 3
284 1 57 TYR QD 1 103 LEU MD2 4.500 . 5.500 2.868 2.370 3.139 . 0 0 "[ . 1 . 2]" 3
285 1 57 TYR QE 1 103 LEU MD1 4.500 . 5.500 4.677 4.036 5.563 0.063 16 0 "[ . 1 . 2]" 3
286 1 57 TYR QE 1 105 LEU HG 4.000 . 5.000 4.329 3.758 5.039 0.039 8 0 "[ . 1 . 2]" 3
287 1 57 TYR QD 1 103 LEU MD1 4.500 . 5.500 3.662 2.643 4.905 . 0 0 "[ . 1 . 2]" 3
288 1 57 TYR QE 1 105 LEU HA 5.000 . 6.000 4.895 4.573 5.221 . 0 0 "[ . 1 . 2]" 3
289 1 57 TYR QD 1 105 LEU MD1 4.000 . 5.000 3.077 2.589 4.523 . 0 0 "[ . 1 . 2]" 3
290 1 57 TYR QE 1 105 LEU MD1 3.500 . 4.000 2.897 2.590 4.022 0.022 7 0 "[ . 1 . 2]" 3
291 1 57 TYR QD 1 105 LEU HG 4.000 . 5.000 4.072 3.540 4.571 . 0 0 "[ . 1 . 2]" 3
292 1 57 TYR HA 1 106 LYS QD 4.000 . 5.000 4.185 3.363 4.892 . 0 0 "[ . 1 . 2]" 3
293 1 58 VAL HB 1 81 VAL MG1 3.000 . 3.500 2.522 2.152 2.993 . 0 0 "[ . 1 . 2]" 3
294 1 58 VAL HB 1 82 LEU MD1 4.000 . 5.000 5.187 5.105 5.255 0.255 13 0 "[ . 1 . 2]" 3
295 1 58 VAL MG1 1 106 LYS HA 4.000 . 5.000 3.290 2.916 3.770 . 0 0 "[ . 1 . 2]" 3
296 1 58 VAL MG2 1 106 LYS HA 3.500 . 4.000 1.898 1.771 2.104 0.029 1 0 "[ . 1 . 2]" 3
297 1 58 VAL MG1 1 106 LYS HB2 3.500 . 4.000 2.981 2.642 3.472 . 0 0 "[ . 1 . 2]" 3
298 1 58 VAL MG1 1 106 LYS HB3 3.500 . 4.000 1.901 1.744 2.367 0.056 8 0 "[ . 1 . 2]" 3
299 1 58 VAL MG1 1 81 VAL HB 4.500 . 5.500 4.774 4.191 5.499 . 0 0 "[ . 1 . 2]" 3
300 1 58 VAL MG1 1 109 VAL HB 3.500 . 4.000 4.121 4.053 4.205 0.205 16 0 "[ . 1 . 2]" 3
301 1 58 VAL MG1 1 106 LYS QE 4.500 . 5.500 2.834 1.738 3.560 0.062 5 0 "[ . 1 . 2]" 3
302 1 58 VAL MG2 1 106 LYS QE 3.500 . 4.000 3.992 3.321 4.145 0.145 4 0 "[ . 1 . 2]" 3
303 1 58 VAL MG2 1 106 LYS HG3 3.500 . 4.000 4.196 4.038 4.272 0.272 15 0 "[ . 1 . 2]" 3
304 1 58 VAL MG1 1 106 LYS HG2 4.000 . 5.000 3.729 2.552 4.244 . 0 0 "[ . 1 . 2]" 3
305 1 58 VAL MG2 1 106 LYS HG2 3.000 . 3.500 3.438 3.180 3.570 0.070 2 0 "[ . 1 . 2]" 3
306 1 58 VAL H 1 104 LYS QG 4.000 . 5.000 4.865 4.568 5.034 0.034 16 0 "[ . 1 . 2]" 3
307 1 58 VAL H 1 106 LYS QD 4.000 . 5.000 4.673 3.771 5.157 0.157 18 0 "[ . 1 . 2]" 3
308 1 58 VAL H 1 104 LYS H 4.000 . 5.000 3.401 3.042 3.821 . 0 0 "[ . 1 . 2]" 3
309 1 58 VAL H 1 105 LEU HA 4.000 . 5.000 2.744 2.411 3.031 . 0 0 "[ . 1 . 2]" 3
310 1 58 VAL H 1 106 LYS H 4.000 . 5.000 3.334 2.778 3.745 . 0 0 "[ . 1 . 2]" 3
311 1 58 VAL MG2 1 106 LYS H 4.500 . 5.500 2.726 2.499 2.945 . 0 0 "[ . 1 . 2]" 3
312 1 58 VAL H 1 105 LEU MD1 4.500 . 5.500 4.589 4.135 5.685 0.185 9 0 "[ . 1 . 2]" 3
313 1 59 LEU HA 1 102 ILE H 4.000 . 5.000 4.316 3.858 4.917 . 0 0 "[ . 1 . 2]" 3
314 1 59 LEU HA 1 104 LYS H 4.000 . 5.000 3.133 2.917 3.363 . 0 0 "[ . 1 . 2]" 3
315 1 59 LEU QD 1 101 PHE HB2 4.500 . 5.500 2.615 2.456 2.791 . 0 0 "[ . 1 . 2]" 3
316 1 59 LEU QB 1 82 LEU MD1 3.500 . 4.000 1.803 1.715 1.986 0.085 3 0 "[ . 1 . 2]" 3
317 1 59 LEU QB 1 82 LEU MD2 4.500 . 5.500 4.470 4.375 4.644 . 0 0 "[ . 1 . 2]" 3
318 1 59 LEU HA 1 103 LEU HA 3.000 . 3.500 2.833 2.722 3.021 . 0 0 "[ . 1 . 2]" 3
319 1 59 LEU QB 1 103 LEU HA 3.500 . 4.000 4.046 3.969 4.136 0.136 2 0 "[ . 1 . 2]" 3
320 1 59 LEU MD2 1 101 PHE HA 4.500 . 5.500 3.977 3.611 4.602 . 0 0 "[ . 1 . 2]" 3
321 1 60 LEU HA 1 81 VAL HA 3.000 . 3.500 2.148 2.044 2.243 . 0 0 "[ . 1 . 2]" 3
322 1 60 LEU QD 1 79 GLN HA 5.000 . 6.000 4.314 4.017 4.700 . 0 0 "[ . 1 . 2]" 3
323 1 60 LEU QD 1 81 VAL HA 4.000 . 5.000 1.823 1.765 2.004 0.035 4 0 "[ . 1 . 2]" 3
324 1 60 LEU HA 1 82 LEU MD2 4.500 . 5.500 4.472 3.849 4.737 . 0 0 "[ . 1 . 2]" 3
325 1 60 LEU HG 1 81 VAL MG1 3.000 . 3.500 3.669 3.645 3.708 0.208 18 0 "[ . 1 . 2]" 3
326 1 60 LEU MD1 1 79 GLN HA 4.500 . 5.500 4.375 4.065 4.779 . 0 0 "[ . 1 . 2]" 3
327 1 60 LEU MD1 1 79 GLN HG3 3.000 . 3.500 3.351 3.047 3.536 0.036 18 0 "[ . 1 . 2]" 3
328 1 60 LEU MD1 1 79 GLN HG2 4.000 . 5.000 1.964 1.792 2.303 0.008 14 0 "[ . 1 . 2]" 3
329 1 60 LEU HB3 1 81 VAL HA 4.000 . 5.000 3.970 3.752 4.104 . 0 0 "[ . 1 . 2]" 3
330 1 60 LEU MD1 1 81 VAL HA 3.500 . 4.000 1.834 1.775 2.024 0.025 4 0 "[ . 1 . 2]" 3
331 1 60 LEU MD1 1 81 VAL HB 3.000 . 3.500 3.546 3.523 3.571 0.071 18 0 "[ . 1 . 2]" 3
332 1 60 LEU HB3 1 102 ILE MG 4.000 . 5.000 4.304 3.909 4.690 . 0 0 "[ . 1 . 2]" 3
333 1 60 LEU HB2 1 102 ILE MG 4.000 . 5.000 3.130 2.713 3.524 . 0 0 "[ . 1 . 2]" 3
334 1 60 LEU MD1 1 104 LYS HE2 3.500 . 4.000 3.807 3.171 4.145 0.145 18 0 "[ . 1 . 2]" 3
335 1 60 LEU HA 1 81 VAL QG 3.500 . 4.000 2.989 2.888 3.045 . 0 0 "[ . 1 . 2]" 3
336 1 60 LEU QD 1 79 GLN HG3 4.000 . 5.000 3.309 3.016 3.495 . 0 0 "[ . 1 . 2]" 3
337 1 60 LEU HA 1 81 VAL HB 4.000 . 5.000 4.995 4.892 5.078 0.078 16 0 "[ . 1 . 2]" 3
338 1 60 LEU HB2 1 101 PHE HA 4.000 . 5.000 4.320 4.009 4.531 . 0 0 "[ . 1 . 2]" 3
339 1 60 LEU QD 1 80 ARG H 4.500 . 5.500 3.513 3.266 3.829 . 0 0 "[ . 1 . 2]" 3
340 1 60 LEU H 1 102 ILE H 4.000 . 5.000 2.517 2.202 3.019 . 0 0 "[ . 1 . 2]" 3
341 1 60 LEU HA 1 82 LEU H 4.000 . 5.000 2.972 2.765 3.184 . 0 0 "[ . 1 . 2]" 3
342 1 60 LEU H 1 102 ILE MG 4.500 . 5.500 3.904 3.600 4.392 . 0 0 "[ . 1 . 2]" 3
343 1 60 LEU QD 1 104 LYS H 4.500 . 5.500 3.301 2.927 3.762 . 0 0 "[ . 1 . 2]" 3
344 1 60 LEU H 1 103 LEU HA 4.000 . 5.000 3.874 3.571 4.146 . 0 0 "[ . 1 . 2]" 3
345 1 61 GLU HA 1 100 LYS H 4.000 . 5.000 5.043 4.973 5.087 0.087 15 0 "[ . 1 . 2]" 3
346 1 61 GLU HA 1 102 ILE H 4.000 . 5.000 4.106 3.773 4.415 . 0 0 "[ . 1 . 2]" 3
347 1 61 GLU HB3 1 95 TRP HE1 4.000 . 5.000 3.448 3.302 3.570 . 0 0 "[ . 1 . 2]" 3
348 1 61 GLU HG3 1 95 TRP HE1 3.500 . 4.000 2.951 2.511 3.389 . 0 0 "[ . 1 . 2]" 3
349 1 61 GLU H 1 80 ARG H 4.000 . 5.000 3.441 3.290 3.609 . 0 0 "[ . 1 . 2]" 3
350 1 61 GLU H 1 82 LEU H 4.000 . 5.000 3.834 3.499 4.101 . 0 0 "[ . 1 . 2]" 3
351 1 61 GLU HB2 1 95 TRP HE1 4.000 . 5.000 1.770 1.696 1.957 0.104 19 0 "[ . 1 . 2]" 3
352 1 61 GLU H 1 81 VAL HA 4.000 . 5.000 3.144 2.926 3.256 . 0 0 "[ . 1 . 2]" 3
353 1 61 GLU H 1 82 LEU MD2 4.500 . 5.500 3.319 2.711 3.595 . 0 0 "[ . 1 . 2]" 3
354 1 61 GLU HG2 1 82 LEU MD2 3.000 . 3.500 2.634 2.243 2.933 . 0 0 "[ . 1 . 2]" 3
355 1 61 GLU HB2 1 82 LEU MD2 3.500 . 4.000 3.330 3.080 3.617 . 0 0 "[ . 1 . 2]" 3
356 1 61 GLU HA 1 82 LEU MD2 4.500 . 5.500 4.161 3.666 4.427 . 0 0 "[ . 1 . 2]" 3
357 1 61 GLU HG3 1 82 LEU MD2 3.500 . 4.000 3.787 3.485 4.010 0.010 5 0 "[ . 1 . 2]" 3
358 1 61 GLU HB3 1 95 TRP HZ2 3.500 . 4.000 3.854 3.373 4.051 0.051 15 0 "[ . 1 . 2]" 3
359 1 61 GLU HB3 1 101 PHE QD 4.000 . 5.000 3.228 2.943 3.504 . 0 0 "[ . 1 . 2]" 3
360 1 61 GLU HB2 1 101 PHE QD 4.000 . 5.000 3.855 3.605 4.174 . 0 0 "[ . 1 . 2]" 3
361 1 61 GLU HB3 1 101 PHE QE 4.500 . 5.500 2.707 2.446 2.960 . 0 0 "[ . 1 . 2]" 3
362 1 61 GLU HB2 1 101 PHE QE 4.000 . 5.000 2.868 2.571 3.172 . 0 0 "[ . 1 . 2]" 3
363 1 61 GLU HA 1 101 PHE HA 3.500 . 4.000 2.812 2.589 3.103 . 0 0 "[ . 1 . 2]" 3
364 1 61 GLU HA 1 101 PHE QD 4.000 . 5.000 2.679 2.497 2.843 . 0 0 "[ . 1 . 2]" 3
365 1 61 GLU HA 1 101 PHE QE 4.000 . 5.000 3.417 3.105 3.666 . 0 0 "[ . 1 . 2]" 3
366 1 61 GLU HA 1 102 ILE MD 4.500 . 5.500 4.837 3.979 5.550 0.050 7 0 "[ . 1 . 2]" 3
367 1 62 GLU HG3 1 77 SER HA 4.000 . 5.000 5.054 5.015 5.111 0.111 18 0 "[ . 1 . 2]" 3
368 1 62 GLU HA 1 79 GLN HA 3.000 . 3.500 1.752 1.713 1.816 0.087 18 0 "[ . 1 . 2]" 3
369 1 62 GLU HB3 1 79 GLN HA 3.500 . 4.000 4.109 4.014 4.157 0.157 1 0 "[ . 1 . 2]" 3
370 1 62 GLU HG3 1 77 SER QB 3.500 . 4.000 3.058 2.761 3.453 . 0 0 "[ . 1 . 2]" 3
371 1 62 GLU HA 1 79 GLN HG3 3.500 . 4.000 3.220 2.976 3.576 . 0 0 "[ . 1 . 2]" 3
372 1 62 GLU HA 1 79 GLN HG2 4.000 . 5.000 3.993 3.759 4.268 . 0 0 "[ . 1 . 2]" 3
373 1 62 GLU HG3 1 79 GLN HA 4.000 . 5.000 2.572 2.020 3.628 . 0 0 "[ . 1 . 2]" 3
374 1 62 GLU HG2 1 79 GLN HA 4.000 . 5.000 2.993 2.573 3.238 . 0 0 "[ . 1 . 2]" 3
375 1 62 GLU HG3 1 79 GLN HG2 4.000 . 5.000 3.794 3.414 4.638 . 0 0 "[ . 1 . 2]" 3
376 1 62 GLU HG2 1 79 GLN HG2 4.000 . 5.000 5.058 4.808 5.104 0.104 20 0 "[ . 1 . 2]" 3
377 1 62 GLU HG2 1 77 SER QB 3.500 . 4.000 2.482 2.168 2.834 . 0 0 "[ . 1 . 2]" 3
378 1 62 GLU HG2 1 102 ILE MD 4.000 . 5.000 4.195 4.005 4.461 . 0 0 "[ . 1 . 2]" 3
379 1 62 GLU HA 1 102 ILE MD 4.500 . 5.500 4.402 4.030 4.715 . 0 0 "[ . 1 . 2]" 3
380 1 62 GLU HA 1 80 ARG H 4.000 . 5.000 2.710 2.567 2.938 . 0 0 "[ . 1 . 2]" 3
381 1 62 GLU H 1 100 LYS H 4.000 . 5.000 3.654 3.527 3.760 . 0 0 "[ . 1 . 2]" 3
382 1 62 GLU HA 1 79 GLN H 4.000 . 5.000 4.373 4.257 4.461 . 0 0 "[ . 1 . 2]" 3
383 1 62 GLU H 1 101 PHE HA 4.000 . 5.000 2.945 2.792 3.097 . 0 0 "[ . 1 . 2]" 3
384 1 63 VAL MG1 1 95 TRP HE1 4.500 . 5.500 3.600 3.362 3.934 . 0 0 "[ . 1 . 2]" 3
385 1 63 VAL MG1 1 97 GLY H 4.500 . 5.500 4.503 4.252 4.846 . 0 0 "[ . 1 . 2]" 3
386 1 63 VAL MG1 1 99 GLY H 4.500 . 5.500 5.405 5.255 5.531 0.031 4 0 "[ . 1 . 2]" 3
387 1 63 VAL MG1 1 100 LYS H 4.500 . 5.500 5.512 5.426 5.566 0.066 13 0 "[ . 1 . 2]" 3
388 1 63 VAL MG2 1 97 GLY H 4.500 . 5.500 2.303 2.112 2.613 . 0 0 "[ . 1 . 2]" 3
389 1 63 VAL MG2 1 98 ALA H 4.500 . 5.500 3.727 2.744 4.048 . 0 0 "[ . 1 . 2]" 3
390 1 63 VAL MG2 1 99 GLY H 4.500 . 5.500 3.643 3.427 3.808 . 0 0 "[ . 1 . 2]" 3
391 1 63 VAL MG2 1 100 LYS H 4.500 . 5.500 5.554 5.495 5.593 0.093 15 0 "[ . 1 . 2]" 3
392 1 63 VAL H 1 78 SER H 4.000 . 5.000 3.560 3.151 3.919 . 0 0 "[ . 1 . 2]" 3
393 1 63 VAL H 1 80 ARG H 4.000 . 5.000 4.223 4.055 4.436 . 0 0 "[ . 1 . 2]" 3
394 1 63 VAL MG1 1 95 TRP H 4.500 . 5.500 5.246 4.906 5.539 0.039 19 0 "[ . 1 . 2]" 3
395 1 63 VAL MG2 1 95 TRP H 4.500 . 5.500 5.019 4.765 5.277 . 0 0 "[ . 1 . 2]" 3
396 1 63 VAL HB 1 96 LYS H 3.000 . 3.500 3.627 3.537 3.716 0.216 15 0 "[ . 1 . 2]" 3
397 1 63 VAL MG2 1 95 TRP HE1 4.500 . 5.500 5.061 4.917 5.262 . 0 0 "[ . 1 . 2]" 3
398 1 63 VAL H 1 79 GLN HA 4.000 . 5.000 3.227 3.059 3.378 . 0 0 "[ . 1 . 2]" 3
399 1 63 VAL H 1 80 ARG HB2 4.000 . 5.000 5.080 5.034 5.147 0.147 2 0 "[ . 1 . 2]" 3
400 1 63 VAL MG2 1 98 ALA HA 3.500 . 4.000 4.027 3.667 4.119 0.119 18 0 "[ . 1 . 2]" 3
401 1 63 VAL HB 1 78 SER QB 4.000 . 5.000 4.822 4.665 5.017 0.017 9 0 "[ . 1 . 2]" 3
402 1 63 VAL HB 1 97 GLY QA 4.000 . 5.000 4.914 4.699 5.046 0.046 6 0 "[ . 1 . 2]" 3
403 1 63 VAL MG1 1 99 GLY HA3 4.500 . 5.500 5.588 5.544 5.624 0.124 13 0 "[ . 1 . 2]" 3
404 1 63 VAL MG2 1 95 TRP HB3 4.500 . 5.500 2.559 2.349 2.785 . 0 0 "[ . 1 . 2]" 3
405 1 63 VAL MG2 1 95 TRP HB2 4.500 . 5.500 4.005 3.816 4.206 . 0 0 "[ . 1 . 2]" 3
406 1 63 VAL MG2 1 99 GLY HA3 4.500 . 5.500 4.446 4.391 4.502 . 0 0 "[ . 1 . 2]" 3
407 1 63 VAL MG1 1 78 SER QB 4.500 . 5.500 1.976 1.778 2.193 0.022 13 0 "[ . 1 . 2]" 3
408 1 63 VAL MG2 1 78 SER QB 4.500 . 5.500 3.488 3.358 3.668 . 0 0 "[ . 1 . 2]" 3
409 1 63 VAL MG1 1 95 TRP HA 4.000 . 5.000 3.065 2.809 3.308 . 0 0 "[ . 1 . 2]" 3
410 1 63 VAL MG2 1 95 TRP HA 4.500 . 5.500 2.834 2.490 3.175 . 0 0 "[ . 1 . 2]" 3
411 1 63 VAL MG1 1 95 TRP HB2 4.500 . 5.500 5.067 4.936 5.199 . 0 0 "[ . 1 . 2]" 3
412 1 63 VAL MG2 1 95 TRP HD1 4.500 . 5.500 4.019 3.757 4.274 . 0 0 "[ . 1 . 2]" 3
413 1 63 VAL MG1 1 95 TRP HE3 4.500 . 5.500 5.415 5.171 5.559 0.059 20 0 "[ . 1 . 2]" 3
414 1 63 VAL MG2 1 95 TRP HE3 4.500 . 5.500 3.957 3.604 4.251 . 0 0 "[ . 1 . 2]" 3
415 1 63 VAL MG1 1 95 TRP HZ2 4.500 . 5.500 4.949 4.787 5.115 . 0 0 "[ . 1 . 2]" 3
416 1 63 VAL MG2 1 97 GLY QA 4.000 . 5.000 2.479 2.264 2.642 . 0 0 "[ . 1 . 2]" 3
417 1 63 VAL MG1 1 99 GLY HA2 4.000 . 5.000 4.537 4.505 4.602 . 0 0 "[ . 1 . 2]" 3
418 1 63 VAL MG2 1 99 GLY HA2 4.000 . 5.000 3.801 3.750 3.867 . 0 0 "[ . 1 . 2]" 3
419 1 63 VAL MG1 1 95 TRP HD1 4.000 . 5.000 3.253 2.940 3.654 . 0 0 "[ . 1 . 2]" 3
420 1 63 VAL HA 1 99 GLY HA2 3.500 . 4.000 1.780 1.740 1.826 0.060 14 0 "[ . 1 . 2]" 3
421 1 64 VAL HA 1 77 SER HA 3.000 . 3.500 1.865 1.763 2.111 0.037 6 0 "[ . 1 . 2]" 3
422 1 64 VAL HB 1 77 SER HA 4.000 . 5.000 4.687 4.309 5.015 0.015 14 0 "[ . 1 . 2]" 3
423 1 64 VAL QG 1 75 PRO HA 4.500 . 5.500 4.412 3.589 5.012 . 0 0 "[ . 1 . 2]" 3
424 1 64 VAL QG 1 77 SER HA 4.000 . 5.000 2.658 2.211 3.068 . 0 0 "[ . 1 . 2]" 3
425 1 64 VAL QG 1 77 SER QB 3.500 . 4.000 2.475 1.795 3.229 0.005 19 0 "[ . 1 . 2]" 3
426 1 64 VAL QG 1 78 SER QB 4.500 . 5.500 5.158 4.884 5.529 0.029 18 0 "[ . 1 . 2]" 3
427 1 64 VAL HA 1 77 SER QB 3.000 . 3.500 3.283 2.513 3.546 0.046 5 0 "[ . 1 . 2]" 3
428 1 64 VAL HB 1 98 ALA HA 4.000 . 5.000 4.966 4.706 5.055 0.055 8 0 "[ . 1 . 2]" 3
429 1 64 VAL HA 1 78 SER H 4.000 . 5.000 2.874 2.583 3.196 . 0 0 "[ . 1 . 2]" 3
430 1 64 VAL HB 1 98 ALA H 4.000 . 5.000 3.635 3.131 4.154 . 0 0 "[ . 1 . 2]" 3
431 1 64 VAL QG 1 78 SER H 5.000 . 6.000 3.933 3.640 4.303 . 0 0 "[ . 1 . 2]" 3
432 1 64 VAL QG 1 98 ALA H 5.000 . 6.000 4.118 3.767 4.483 . 0 0 "[ . 1 . 2]" 3
433 1 64 VAL QG 1 100 LYS H 5.000 . 6.000 3.766 3.252 4.086 . 0 0 "[ . 1 . 2]" 3
434 1 64 VAL H 1 100 LYS H 4.000 . 5.000 4.175 3.720 4.337 . 0 0 "[ . 1 . 2]" 3
435 1 64 VAL QG 1 99 GLY H 5.000 . 6.000 4.304 4.153 4.555 . 0 0 "[ . 1 . 2]" 3
436 1 64 VAL QG 1 76 LYS H 5.000 . 6.000 3.541 2.639 3.906 . 0 0 "[ . 1 . 2]" 3
437 1 65 LYS H 1 77 SER HA 4.000 . 5.000 2.764 1.986 3.331 . 0 0 "[ . 1 . 2]" 3
438 1 65 LYS H 1 77 SER QB 4.000 . 5.000 4.596 3.708 5.042 0.042 6 0 "[ . 1 . 2]" 3
439 1 65 LYS QE 1 78 SER QB 4.000 . 5.000 4.210 2.463 5.047 0.047 15 0 "[ . 1 . 2]" 3
440 1 65 LYS QG 1 78 SER QB 4.000 . 5.000 3.361 2.805 5.006 0.006 4 0 "[ . 1 . 2]" 3
441 1 65 LYS HB3 1 97 GLY QA 4.000 . 5.000 4.523 2.845 5.104 0.104 12 0 "[ . 1 . 2]" 3
442 1 65 LYS HA 1 97 GLY QA 3.500 . 4.000 3.092 2.582 3.550 . 0 0 "[ . 1 . 2]" 3
443 1 65 LYS QG 1 77 SER HA 4.000 . 5.000 4.709 3.633 5.167 0.167 18 0 "[ . 1 . 2]" 3
444 1 66 ASP HA 1 76 LYS QB 3.500 . 4.000 4.055 3.853 4.124 0.124 3 0 "[ . 1 . 2]" 3
445 1 66 ASP HA 1 75 PRO HA 2.500 . 3.000 2.274 1.776 2.887 0.024 12 0 "[ . 1 . 2]" 3
446 1 66 ASP H 1 97 GLY QA 4.000 . 5.000 4.355 3.516 5.061 0.061 4 0 "[ . 1 . 2]" 3
447 1 67 THR MG 1 76 LYS H 4.500 . 5.500 4.263 2.965 5.491 . 0 0 "[ . 1 . 2]" 3
448 1 67 THR H 1 75 PRO QG 3.500 . 4.000 3.793 2.568 4.080 0.080 2 0 "[ . 1 . 2]" 3
449 1 67 THR MG 1 75 PRO HA 3.500 . 4.000 3.348 2.226 4.100 0.100 5 0 "[ . 1 . 2]" 3
450 1 58 VAL MG1 1 81 VAL QG 4.000 . 5.000 3.246 2.694 3.829 . 0 0 "[ . 1 . 2]" 3
451 1 81 VAL MG1 1 104 LYS HB3 3.500 . 4.000 4.052 3.943 4.129 0.129 13 0 "[ . 1 . 2]" 3
452 1 82 LEU MD1 1 91 ALA MB 4.000 . 5.000 3.048 2.845 3.159 . 0 0 "[ . 1 . 2]" 3
453 1 82 LEU MD2 1 91 ALA MB 4.500 . 5.500 2.204 1.985 2.686 . 0 0 "[ . 1 . 2]" 3
454 1 82 LEU MD2 1 101 PHE QD 4.000 . 5.000 4.083 3.665 4.586 . 0 0 "[ . 1 . 2]" 3
455 1 82 LEU MD1 1 101 PHE QE 4.000 . 5.000 2.968 2.708 3.170 . 0 0 "[ . 1 . 2]" 3
456 1 82 LEU MD1 1 101 PHE HZ 4.500 . 5.500 5.043 4.712 5.225 . 0 0 "[ . 1 . 2]" 3
457 1 82 LEU MD2 1 101 PHE HZ 4.500 . 5.500 5.430 5.214 5.562 0.062 5 0 "[ . 1 . 2]" 3
458 1 82 LEU MD1 1 101 PHE QD 4.500 . 5.500 2.464 2.164 2.955 . 0 0 "[ . 1 . 2]" 3
459 1 82 LEU MD2 1 101 PHE QE 4.000 . 5.000 3.471 3.263 3.724 . 0 0 "[ . 1 . 2]" 3
460 1 82 LEU MD1 1 91 ALA HA 4.500 . 5.500 5.524 5.298 5.622 0.122 8 0 "[ . 1 . 2]" 3
461 1 82 LEU MD1 1 88 VAL HA 3.500 . 4.000 3.185 2.833 3.606 . 0 0 "[ . 1 . 2]" 3
462 1 82 LEU MD1 1 91 ALA H 4.500 . 5.500 5.097 4.816 5.391 . 0 0 "[ . 1 . 2]" 3
463 1 82 LEU MD2 1 95 TRP HE1 4.500 . 5.500 4.596 4.303 4.989 . 0 0 "[ . 1 . 2]" 3
464 1 88 VAL MG1 1 101 PHE QD 4.000 . 5.000 2.902 2.560 3.116 . 0 0 "[ . 1 . 2]" 3
465 1 88 VAL MG1 1 101 PHE QE 4.000 . 5.000 2.756 2.654 3.066 . 0 0 "[ . 1 . 2]" 3
466 1 88 VAL MG2 1 101 PHE HZ 4.000 . 5.000 4.821 4.335 5.050 0.050 11 0 "[ . 1 . 2]" 3
467 1 88 VAL MG2 1 101 PHE QE 5.000 . 6.000 3.972 3.709 4.198 . 0 0 "[ . 1 . 2]" 3
468 1 88 VAL MG1 1 101 PHE HZ 4.000 . 5.000 3.269 2.851 4.421 . 0 0 "[ . 1 . 2]" 3
469 1 91 ALA MB 1 101 PHE QD 4.500 . 5.500 3.891 3.691 4.461 . 0 0 "[ . 1 . 2]" 3
470 1 91 ALA MB 1 101 PHE QE 4.500 . 5.500 2.012 1.812 2.540 . 0 0 "[ . 1 . 2]" 3
471 1 91 ALA MB 1 101 PHE HZ 3.500 . 4.000 2.922 2.660 3.103 . 0 0 "[ . 1 . 2]" 3
472 1 92 GLN H 1 101 PHE HZ 4.000 . 5.000 2.531 2.388 2.760 . 0 0 "[ . 1 . 2]" 3
473 1 92 GLN HA 1 101 PHE QD 5.000 . 6.000 5.631 5.495 5.813 . 0 0 "[ . 1 . 2]" 3
474 1 92 GLN HA 1 101 PHE QE 4.000 . 5.000 3.783 3.647 3.924 . 0 0 "[ . 1 . 2]" 3
475 1 92 GLN HA 1 101 PHE HZ 3.500 . 4.000 2.677 2.502 2.938 . 0 0 "[ . 1 . 2]" 3
476 1 92 GLN QB 1 101 PHE QD 4.000 . 5.000 4.853 4.647 5.057 0.057 14 0 "[ . 1 . 2]" 3
477 1 92 GLN QB 1 101 PHE QE 3.500 . 4.000 2.900 2.622 3.111 . 0 0 "[ . 1 . 2]" 3
478 1 92 GLN HG3 1 101 PHE QE 4.000 . 5.000 2.478 2.019 2.740 . 0 0 "[ . 1 . 2]" 3
479 1 92 GLN HG2 1 101 PHE QE 3.500 . 4.000 4.002 3.739 4.064 0.064 1 0 "[ . 1 . 2]" 3
480 1 92 GLN HG2 1 101 PHE HZ 3.500 . 4.000 4.040 3.869 4.130 0.130 5 0 "[ . 1 . 2]" 3
481 1 92 GLN QB 1 101 PHE HZ 3.500 . 4.000 1.927 1.756 2.331 0.044 10 0 "[ . 1 . 2]" 3
482 1 92 GLN HG3 1 101 PHE HZ 4.000 . 5.000 2.762 2.567 2.958 . 0 0 "[ . 1 . 2]" 3
483 1 95 TRP HZ2 1 101 PHE QD 4.000 . 5.000 3.526 3.373 3.641 . 0 0 "[ . 1 . 2]" 3
484 1 95 TRP HZ3 1 101 PHE H 4.000 . 5.000 5.042 5.002 5.082 0.082 6 0 "[ . 1 . 2]" 3
485 1 95 TRP HE1 1 101 PHE QE 4.500 . 5.500 3.866 3.599 4.048 . 0 0 "[ . 1 . 2]" 3
486 1 95 TRP HE1 1 101 PHE HZ 4.000 . 5.000 4.454 4.199 4.707 . 0 0 "[ . 1 . 2]" 3
487 1 96 LYS HB3 1 97 GLY H 4.000 . 5.000 4.348 4.183 4.470 . 0 0 "[ . 1 . 2]" 3
stop_
save_
save_distance_constraint_statistics_4
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 4
_Distance_constraint_stats_list.Constraint_count 188
_Distance_constraint_stats_list.Viol_count 765
_Distance_constraint_stats_list.Viol_total 1148.193
_Distance_constraint_stats_list.Viol_max 0.282
_Distance_constraint_stats_list.Viol_rms 0.0403
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0153
_Distance_constraint_stats_list.Viol_average_violations_only 0.0750
_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 SER 0.238 0.080 4 0 "[ . 1 . 2]"
1 4 GLU 0.238 0.080 4 0 "[ . 1 . 2]"
1 7 PHE 0.165 0.045 20 0 "[ . 1 . 2]"
1 9 VAL 0.229 0.063 6 0 "[ . 1 . 2]"
1 11 VAL 0.063 0.063 6 0 "[ . 1 . 2]"
1 16 PRO 0.763 0.107 11 0 "[ . 1 . 2]"
1 19 PRO 0.763 0.107 11 0 "[ . 1 . 2]"
1 20 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 21 THR 0.002 0.002 4 0 "[ . 1 . 2]"
1 22 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 ILE 0.002 0.002 4 0 "[ . 1 . 2]"
1 25 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 PRO 5.340 0.279 12 0 "[ . 1 . 2]"
1 27 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 VAL 0.759 0.122 18 0 "[ . 1 . 2]"
1 29 SER 8.261 0.279 12 0 "[ . 1 . 2]"
1 30 THR 1.442 0.158 6 0 "[ . 1 . 2]"
1 31 ALA 3.631 0.189 15 0 "[ . 1 . 2]"
1 32 GLN 5.384 0.217 20 0 "[ . 1 . 2]"
1 33 ASP 1.442 0.158 6 0 "[ . 1 . 2]"
1 34 VAL 5.163 0.218 18 0 "[ . 1 . 2]"
1 35 ILE 8.006 0.217 20 0 "[ . 1 . 2]"
1 36 GLN 3.351 0.229 12 0 "[ . 1 . 2]"
1 37 GLN 0.787 0.080 8 0 "[ . 1 . 2]"
1 38 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 39 LEU 3.597 0.229 12 0 "[ . 1 . 2]"
1 40 CYS 0.543 0.080 8 0 "[ . 1 . 2]"
1 41 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 42 ALA 0.014 0.014 20 0 "[ . 1 . 2]"
1 43 LYS 0.342 0.188 2 0 "[ . 1 . 2]"
1 44 TYR 4.961 0.282 18 0 "[ . 1 . 2]"
1 45 SER 1.588 0.233 18 0 "[ . 1 . 2]"
1 47 SER 2.374 0.282 18 0 "[ . 1 . 2]"
1 48 ILE 2.257 0.233 18 0 "[ . 1 . 2]"
1 49 LEU 2.587 0.180 14 0 "[ . 1 . 2]"
1 52 PRO 0.328 0.067 8 0 "[ . 1 . 2]"
1 53 ASN 0.006 0.004 9 0 "[ . 1 . 2]"
1 54 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 55 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 56 ASP 0.006 0.004 9 0 "[ . 1 . 2]"
1 57 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 60 LEU 1.915 0.135 9 0 "[ . 1 . 2]"
1 61 GLU 2.346 0.154 18 0 "[ . 1 . 2]"
1 62 GLU 1.915 0.135 9 0 "[ . 1 . 2]"
1 63 VAL 2.390 0.154 18 0 "[ . 1 . 2]"
1 64 VAL 0.456 0.123 3 0 "[ . 1 . 2]"
1 65 LYS 0.044 0.017 12 0 "[ . 1 . 2]"
1 66 ASP 0.456 0.123 3 0 "[ . 1 . 2]"
1 67 THR 0.451 0.101 4 0 "[ . 1 . 2]"
1 69 ASN 0.451 0.101 4 0 "[ . 1 . 2]"
1 82 LEU 2.075 0.158 5 0 "[ . 1 . 2]"
1 83 LEU 0.760 0.100 5 0 "[ . 1 . 2]"
1 84 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 85 GLN 0.288 0.164 20 0 "[ . 1 . 2]"
1 86 GLU 2.710 0.158 5 0 "[ . 1 . 2]"
1 87 CYS 3.970 0.185 3 0 "[ . 1 . 2]"
1 88 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 89 PHE 1.824 0.141 7 0 "[ . 1 . 2]"
1 90 GLN 4.587 0.185 3 0 "[ . 1 . 2]"
1 91 ALA 0.035 0.030 20 0 "[ . 1 . 2]"
1 92 GLN 1.830 0.141 7 0 "[ . 1 . 2]"
1 93 SER 0.547 0.049 12 0 "[ . 1 . 2]"
1 94 LYS 0.600 0.092 9 0 "[ . 1 . 2]"
1 95 TRP 3.543 0.161 3 0 "[ . 1 . 2]"
1 97 GLY 0.202 0.051 8 0 "[ . 1 . 2]"
1 98 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 99 GLY 3.005 0.161 3 0 "[ . 1 . 2]"
1 100 LYS 0.863 0.097 14 0 "[ . 1 . 2]"
1 102 ILE 0.870 0.097 14 0 "[ . 1 . 2]"
1 104 LYS 0.007 0.007 16 0 "[ . 1 . 2]"
1 105 LEU 2.668 0.183 3 0 "[ . 1 . 2]"
1 106 LYS 0.016 0.016 4 0 "[ . 1 . 2]"
1 107 GLU 0.670 0.078 5 0 "[ . 1 . 2]"
1 108 GLN 0.704 0.108 13 0 "[ . 1 . 2]"
1 109 VAL 3.929 0.183 4 0 "[ . 1 . 2]"
1 110 GLN 1.313 0.129 2 0 "[ . 1 . 2]"
1 111 ALA 1.661 0.183 4 0 "[ . 1 . 2]"
1 112 SER 1.085 0.129 2 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 2 SER HB3 1 4 GLU H 4.000 . 5.000 3.872 2.442 5.080 0.080 4 0 "[ . 1 . 2]" 4
2 1 7 PHE QE 1 9 VAL HB 4.000 . 5.000 4.949 4.772 5.045 0.045 20 0 "[ . 1 . 2]" 4
3 1 7 PHE QE 1 9 VAL MG1 3.000 . 3.500 3.049 2.559 3.485 . 0 0 "[ . 1 . 2]" 4
4 1 7 PHE QE 1 9 VAL MG2 4.000 . 5.000 2.445 2.339 2.566 . 0 0 "[ . 1 . 2]" 4
5 1 7 PHE HZ 1 9 VAL MG1 3.500 . 4.000 3.499 3.191 3.772 . 0 0 "[ . 1 . 2]" 4
6 1 7 PHE QD 1 9 VAL HB 5.000 . 6.000 5.925 5.839 6.020 0.020 12 0 "[ . 1 . 2]" 4
7 1 9 VAL HB 1 11 VAL MG1 3.500 . 4.000 2.655 2.272 4.063 0.063 6 0 "[ . 1 . 2]" 4
8 1 16 PRO HA 1 19 PRO HA 3.500 . 4.000 3.934 3.122 4.107 0.107 11 0 "[ . 1 . 2]" 4
9 1 20 LEU MD1 1 22 VAL HA 4.500 . 5.500 4.486 3.681 5.283 . 0 0 "[ . 1 . 2]" 4
10 1 21 THR MG 1 23 ILE MG 4.000 . 5.000 2.040 1.798 2.582 0.002 4 0 "[ . 1 . 2]" 4
11 1 25 ALA MB 1 29 SER QB 3.500 . 4.000 2.585 2.315 2.807 . 0 0 "[ . 1 . 2]" 4
12 1 25 ALA MB 1 29 SER HA 4.500 . 5.500 4.834 4.544 5.072 . 0 0 "[ . 1 . 2]" 4
13 1 26 PRO HA 1 29 SER H 3.500 . 4.000 4.217 4.120 4.279 0.279 12 0 "[ . 1 . 2]" 4
14 1 26 PRO HB3 1 28 VAL H 4.000 . 5.000 3.608 3.411 4.184 . 0 0 "[ . 1 . 2]" 4
15 1 26 PRO HB3 1 29 SER H 4.000 . 5.000 4.148 3.892 4.340 . 0 0 "[ . 1 . 2]" 4
16 1 26 PRO HD3 1 29 SER H 4.000 . 5.000 4.978 4.810 5.059 0.059 6 0 "[ . 1 . 2]" 4
17 1 27 ARG HA 1 29 SER H 4.000 . 5.000 3.884 3.746 4.121 . 0 0 "[ . 1 . 2]" 4
18 1 29 SER QB 1 33 ASP H 4.000 . 5.000 4.411 4.112 4.654 . 0 0 "[ . 1 . 2]" 4
19 1 26 PRO HB2 1 28 VAL MG2 3.500 . 4.000 2.355 1.871 4.122 0.122 18 0 "[ . 1 . 2]" 4
20 1 26 PRO HB2 1 28 VAL MG1 3.500 . 4.000 3.688 1.784 4.054 0.054 8 0 "[ . 1 . 2]" 4
21 1 29 SER HA 1 33 ASP HB3 3.500 . 4.000 3.093 2.783 3.559 . 0 0 "[ . 1 . 2]" 4
22 1 29 SER QB 1 33 ASP HB3 3.500 . 4.000 2.702 2.243 3.250 . 0 0 "[ . 1 . 2]" 4
23 1 29 SER QB 1 33 ASP HB2 3.500 . 4.000 2.542 2.028 3.252 . 0 0 "[ . 1 . 2]" 4
24 1 29 SER HA 1 33 ASP HB2 3.500 . 4.000 2.676 2.437 3.066 . 0 0 "[ . 1 . 2]" 4
25 1 29 SER QB 1 34 VAL MG1 4.000 . 5.000 4.030 3.811 4.147 . 0 0 "[ . 1 . 2]" 4
26 1 29 SER QB 1 34 VAL MG2 4.000 . 5.000 3.571 2.993 3.880 . 0 0 "[ . 1 . 2]" 4
27 1 29 SER HA 1 34 VAL MG1 4.500 . 5.500 5.684 5.642 5.718 0.218 18 0 "[ . 1 . 2]" 4
28 1 30 THR HA 1 32 GLN H 4.000 . 5.000 4.875 4.769 4.979 . 0 0 "[ . 1 . 2]" 4
29 1 30 THR HB 1 33 ASP H 4.000 . 5.000 4.979 4.515 5.158 0.158 6 0 "[ . 1 . 2]" 4
30 1 30 THR HG1 1 32 GLN H 4.000 . 5.000 3.121 2.706 3.616 . 0 0 "[ . 1 . 2]" 4
31 1 30 THR HG1 1 33 ASP H 4.000 . 5.000 4.039 2.710 4.485 . 0 0 "[ . 1 . 2]" 4
32 1 30 THR MG 1 32 GLN H 4.500 . 5.500 3.337 2.744 4.709 . 0 0 "[ . 1 . 2]" 4
33 1 30 THR MG 1 33 ASP H 4.500 . 5.500 3.066 2.526 4.478 . 0 0 "[ . 1 . 2]" 4
34 1 30 THR H 1 33 ASP H 4.000 . 5.000 3.279 3.163 3.393 . 0 0 "[ . 1 . 2]" 4
35 1 30 THR H 1 33 ASP HA 4.000 . 5.000 4.835 4.658 5.024 0.024 6 0 "[ . 1 . 2]" 4
36 1 31 ALA HA 1 34 VAL H 4.000 . 5.000 3.805 3.712 3.894 . 0 0 "[ . 1 . 2]" 4
37 1 31 ALA MB 1 33 ASP H 4.500 . 5.500 4.364 4.305 4.418 . 0 0 "[ . 1 . 2]" 4
38 1 31 ALA HA 1 34 VAL MG1 4.500 . 5.500 2.002 1.880 2.174 . 0 0 "[ . 1 . 2]" 4
39 1 31 ALA MB 1 35 ILE MD 4.000 . 5.000 3.598 2.966 3.957 . 0 0 "[ . 1 . 2]" 4
40 1 31 ALA HA 1 35 ILE HB 4.000 . 5.000 5.107 5.061 5.189 0.189 15 0 "[ . 1 . 2]" 4
41 1 31 ALA HA 1 34 VAL HB 3.500 . 4.000 4.062 4.022 4.116 0.116 5 0 "[ . 1 . 2]" 4
42 1 31 ALA HA 1 35 ILE MG 5.000 . 6.000 5.985 5.904 6.067 0.067 10 0 "[ . 1 . 2]" 4
43 1 32 GLN HA 1 34 VAL MG1 4.500 . 5.500 4.537 4.304 4.664 . 0 0 "[ . 1 . 2]" 4
44 1 32 GLN HA 1 35 ILE HG12 3.000 . 3.500 3.362 2.800 3.695 0.195 1 0 "[ . 1 . 2]" 4
45 1 32 GLN HA 1 35 ILE MG 3.500 . 4.000 3.199 3.031 3.338 . 0 0 "[ . 1 . 2]" 4
46 1 32 GLN HA 1 35 ILE HB 3.000 . 3.500 2.141 1.785 2.385 0.015 1 0 "[ . 1 . 2]" 4
47 1 32 GLN HA 1 35 ILE MD 3.500 . 4.000 3.652 1.686 4.217 0.217 20 0 "[ . 1 . 2]" 4
48 1 32 GLN HA 1 35 ILE H 4.000 . 5.000 3.468 3.110 3.683 . 0 0 "[ . 1 . 2]" 4
49 1 32 GLN HE21 1 35 ILE MD 4.500 . 5.500 4.754 4.388 5.653 0.153 5 0 "[ . 1 . 2]" 4
50 1 32 GLN HE22 1 35 ILE MD 4.500 . 5.500 5.505 5.036 5.672 0.172 10 0 "[ . 1 . 2]" 4
51 1 32 GLN H 1 34 VAL MG1 4.500 . 5.500 4.327 4.225 4.483 . 0 0 "[ . 1 . 2]" 4
52 1 32 GLN H 1 35 ILE MG 4.500 . 5.500 5.502 5.425 5.565 0.065 13 0 "[ . 1 . 2]" 4
53 1 33 ASP HA 1 36 GLN H 4.000 . 5.000 3.573 3.313 3.785 . 0 0 "[ . 1 . 2]" 4
54 1 30 THR H 1 33 ASP HB3 4.000 . 5.000 3.550 3.344 3.748 . 0 0 "[ . 1 . 2]" 4
55 1 30 THR H 1 33 ASP HB2 4.000 . 5.000 2.133 1.909 2.344 . 0 0 "[ . 1 . 2]" 4
56 1 34 VAL HA 1 37 GLN H 4.000 . 5.000 3.188 3.005 3.377 . 0 0 "[ . 1 . 2]" 4
57 1 34 VAL MG1 1 36 GLN H 4.500 . 5.500 4.636 4.572 4.698 . 0 0 "[ . 1 . 2]" 4
58 1 34 VAL MG1 1 37 GLN H 4.000 . 5.000 4.926 4.685 5.024 0.024 19 0 "[ . 1 . 2]" 4
59 1 34 VAL HA 1 37 GLN HA 4.000 . 5.000 4.910 4.657 5.051 0.051 20 0 "[ . 1 . 2]" 4
60 1 35 ILE HA 1 38 THR MG 4.000 . 5.000 4.621 4.434 4.788 . 0 0 "[ . 1 . 2]" 4
61 1 35 ILE MG 1 39 LEU MD1 4.000 . 5.000 2.256 1.960 4.087 . 0 0 "[ . 1 . 2]" 4
62 1 35 ILE MG 1 39 LEU MD2 3.500 . 4.000 3.038 2.524 3.317 . 0 0 "[ . 1 . 2]" 4
63 1 35 ILE HA 1 38 THR HB 3.500 . 4.000 3.372 3.194 3.645 . 0 0 "[ . 1 . 2]" 4
64 1 35 ILE HB 1 39 LEU MD2 4.500 . 5.500 5.312 4.724 5.549 0.049 2 0 "[ . 1 . 2]" 4
65 1 35 ILE HA 1 38 THR H 4.000 . 5.000 3.809 3.627 4.000 . 0 0 "[ . 1 . 2]" 4
66 1 35 ILE MG 1 37 GLN H 4.000 . 5.000 4.545 4.464 4.711 . 0 0 "[ . 1 . 2]" 4
67 1 36 GLN HA 1 39 LEU HB2 3.000 . 3.500 1.939 1.781 3.085 0.019 9 0 "[ . 1 . 2]" 4
68 1 36 GLN HA 1 39 LEU HG 3.500 . 4.000 4.109 2.906 4.229 0.229 12 0 "[ . 1 . 2]" 4
69 1 36 GLN HA 1 39 LEU MD2 4.500 . 5.500 2.415 1.923 4.115 . 0 0 "[ . 1 . 2]" 4
70 1 37 GLN HA 1 40 CYS QB 3.000 . 3.500 2.740 2.463 3.046 . 0 0 "[ . 1 . 2]" 4
71 1 37 GLN HG3 1 40 CYS QB 3.500 . 4.000 3.958 3.561 4.080 0.080 8 0 "[ . 1 . 2]" 4
72 1 38 THR HA 1 41 LYS H 4.000 . 5.000 3.119 2.856 3.534 . 0 0 "[ . 1 . 2]" 4
73 1 39 LEU HA 1 42 ALA H 4.000 . 5.000 3.566 3.375 3.767 . 0 0 "[ . 1 . 2]" 4
74 1 39 LEU H 1 41 LYS H 4.000 . 5.000 4.153 3.893 4.457 . 0 0 "[ . 1 . 2]" 4
75 1 39 LEU HA 1 41 LYS H 4.000 . 5.000 4.412 4.182 4.762 . 0 0 "[ . 1 . 2]" 4
76 1 39 LEU HA 1 42 ALA MB 3.500 . 4.000 2.982 2.465 4.014 0.014 20 0 "[ . 1 . 2]" 4
77 1 40 CYS HA 1 43 LYS QB 3.500 . 4.000 3.059 2.075 3.857 . 0 0 "[ . 1 . 2]" 4
78 1 42 ALA MB 1 45 SER QB 4.500 . 5.500 3.164 2.407 4.133 . 0 0 "[ . 1 . 2]" 4
79 1 43 LYS HA 1 48 ILE HB 4.000 . 5.000 4.118 2.569 5.188 0.188 2 0 "[ . 1 . 2]" 4
80 1 44 TYR HA 1 49 LEU MD1 4.500 . 5.500 3.159 1.767 4.936 0.033 9 0 "[ . 1 . 2]" 4
81 1 44 TYR HA 1 47 SER QB 3.000 . 3.500 3.614 3.400 3.782 0.282 18 0 "[ . 1 . 2]" 4
82 1 44 TYR HA 1 49 LEU HG 3.000 . 3.500 3.520 1.910 3.680 0.180 14 0 "[ . 1 . 2]" 4
83 1 45 SER QB 1 48 ILE HB 4.000 . 5.000 5.062 4.808 5.233 0.233 18 0 "[ . 1 . 2]" 4
84 1 44 TYR H 1 49 LEU MD2 4.500 . 5.500 3.119 1.709 5.553 0.091 10 0 "[ . 1 . 2]" 4
85 1 48 ILE MG 1 52 PRO HA 4.000 . 5.000 4.344 3.156 5.067 0.067 8 0 "[ . 1 . 2]" 4
86 1 53 ASN HA 1 55 SER H 4.000 . 5.000 3.743 3.577 3.835 . 0 0 "[ . 1 . 2]" 4
87 1 53 ASN HB2 1 55 SER H 4.000 . 5.000 2.857 2.579 3.177 . 0 0 "[ . 1 . 2]" 4
88 1 53 ASN HB2 1 56 ASP H 4.000 . 5.000 4.412 3.695 5.004 0.004 9 0 "[ . 1 . 2]" 4
89 1 53 ASN H 1 57 TYR QE 4.500 . 5.500 4.008 3.463 4.628 . 0 0 "[ . 1 . 2]" 4
90 1 54 PRO HA 1 56 ASP H 4.000 . 5.000 3.715 3.266 4.185 . 0 0 "[ . 1 . 2]" 4
91 1 54 PRO HB3 1 57 TYR QD 4.500 . 5.500 4.815 4.065 5.305 . 0 0 "[ . 1 . 2]" 4
92 1 54 PRO HA 1 57 TYR QB 4.000 . 5.000 3.019 2.635 3.525 . 0 0 "[ . 1 . 2]" 4
93 1 54 PRO HA 1 57 TYR QD 4.000 . 5.000 2.681 1.906 3.259 . 0 0 "[ . 1 . 2]" 4
94 1 54 PRO HA 1 57 TYR QE 4.500 . 5.500 4.010 3.378 4.732 . 0 0 "[ . 1 . 2]" 4
95 1 55 SER HA 1 57 TYR H 4.000 . 5.000 3.673 3.399 3.916 . 0 0 "[ . 1 . 2]" 4
96 1 55 SER H 1 57 TYR QD 4.500 . 5.500 4.069 3.707 4.782 . 0 0 "[ . 1 . 2]" 4
97 1 60 LEU HB2 1 62 GLU H 3.500 . 4.000 4.096 4.064 4.135 0.135 9 0 "[ . 1 . 2]" 4
98 1 61 GLU HG3 1 63 VAL MG1 4.000 . 5.000 3.610 3.551 3.697 . 0 0 "[ . 1 . 2]" 4
99 1 61 GLU HG2 1 63 VAL MG1 4.000 . 5.000 5.117 5.080 5.154 0.154 18 0 "[ . 1 . 2]" 4
100 1 63 VAL MG2 1 65 LYS QE 4.500 . 5.500 4.187 2.922 5.515 0.015 16 0 "[ . 1 . 2]" 4
101 1 63 VAL MG2 1 65 LYS QG 4.500 . 5.500 2.809 1.783 5.052 0.017 12 0 "[ . 1 . 2]" 4
102 1 63 VAL MG2 1 65 LYS H 4.500 . 5.500 3.718 3.263 4.710 . 0 0 "[ . 1 . 2]" 4
103 1 64 VAL HA 1 66 ASP H 4.000 . 5.000 4.896 4.127 5.123 0.123 3 0 "[ . 1 . 2]" 4
104 1 64 VAL QG 1 66 ASP H 5.000 . 6.000 2.915 1.981 3.307 . 0 0 "[ . 1 . 2]" 4
105 1 67 THR HA 1 69 ASN H 4.000 . 5.000 3.870 3.198 5.090 0.090 20 0 "[ . 1 . 2]" 4
106 1 67 THR MG 1 69 ASN HB2 4.500 . 5.500 5.035 2.485 5.601 0.101 4 0 "[ . 1 . 2]" 4
107 1 82 LEU HA 1 86 GLU H 4.000 . 5.000 5.104 5.047 5.158 0.158 5 0 "[ . 1 . 2]" 4
108 1 83 LEU QB 1 85 GLN H 3.500 . 4.000 2.909 2.265 3.375 . 0 0 "[ . 1 . 2]" 4
109 1 83 LEU QB 1 86 GLU H 3.500 . 4.000 3.301 2.186 4.005 0.005 8 0 "[ . 1 . 2]" 4
110 1 83 LEU QD 1 85 GLN H 5.000 . 6.000 4.075 3.101 4.676 . 0 0 "[ . 1 . 2]" 4
111 1 83 LEU QD 1 86 GLU H 5.000 . 6.000 4.430 3.683 4.897 . 0 0 "[ . 1 . 2]" 4
112 1 83 LEU H 1 85 GLN H 4.000 . 5.000 4.761 3.921 5.047 0.047 19 0 "[ . 1 . 2]" 4
113 1 83 LEU H 1 86 GLU H 4.000 . 5.000 3.493 2.690 3.835 . 0 0 "[ . 1 . 2]" 4
114 1 83 LEU H 1 86 GLU HB2 3.500 . 4.000 2.306 1.712 3.437 0.088 19 0 "[ . 1 . 2]" 4
115 1 83 LEU MD2 1 86 GLU HA 4.500 . 5.500 5.268 4.269 5.600 0.100 5 0 "[ . 1 . 2]" 4
116 1 84 ASP H 1 86 GLU H 4.000 . 5.000 4.234 2.672 4.842 . 0 0 "[ . 1 . 2]" 4
117 1 85 GLN H 1 87 CYS H 4.000 . 5.000 4.737 4.524 5.164 0.164 20 0 "[ . 1 . 2]" 4
118 1 86 GLU QG 1 91 ALA MB 4.500 . 5.500 3.941 2.177 5.089 . 0 0 "[ . 1 . 2]" 4
119 1 87 CYS HB3 1 90 GLN HB3 3.000 . 3.500 3.534 2.941 3.685 0.185 3 0 "[ . 1 . 2]" 4
120 1 87 CYS HB2 1 90 GLN HB3 3.500 . 4.000 2.963 2.286 4.144 0.144 16 0 "[ . 1 . 2]" 4
121 1 87 CYS HB2 1 90 GLN HB2 3.500 . 4.000 1.936 1.748 2.846 0.052 12 0 "[ . 1 . 2]" 4
122 1 87 CYS HB3 1 90 GLN HB2 3.500 . 4.000 1.986 1.665 2.186 0.135 4 0 "[ . 1 . 2]" 4
123 1 87 CYS HB3 1 90 GLN HG3 3.500 . 4.000 3.076 2.024 4.012 0.012 9 0 "[ . 1 . 2]" 4
124 1 87 CYS HB2 1 90 GLN HG3 3.500 . 4.000 3.273 2.899 4.011 0.011 4 0 "[ . 1 . 2]" 4
125 1 87 CYS HB3 1 90 GLN HG2 4.000 . 5.000 4.009 2.697 4.929 . 0 0 "[ . 1 . 2]" 4
126 1 87 CYS HB2 1 90 GLN HG2 3.500 . 4.000 4.040 3.679 4.094 0.094 2 0 "[ . 1 . 2]" 4
127 1 87 CYS HB3 1 90 GLN H 4.000 . 5.000 2.471 1.934 3.042 . 0 0 "[ . 1 . 2]" 4
128 1 88 VAL HA 1 91 ALA H 4.000 . 5.000 3.286 2.986 3.770 . 0 0 "[ . 1 . 2]" 4
129 1 88 VAL HA 1 90 GLN H 4.000 . 5.000 4.397 4.110 4.749 . 0 0 "[ . 1 . 2]" 4
130 1 88 VAL MG1 1 92 GLN H 4.500 . 5.500 4.213 3.801 5.249 . 0 0 "[ . 1 . 2]" 4
131 1 88 VAL MG2 1 91 ALA MB 4.000 . 5.000 4.067 3.795 4.433 . 0 0 "[ . 1 . 2]" 4
132 1 88 VAL MG1 1 91 ALA MB 4.000 . 5.000 3.486 3.322 3.833 . 0 0 "[ . 1 . 2]" 4
133 1 88 VAL HA 1 91 ALA MB 3.500 . 4.000 2.388 2.047 2.698 . 0 0 "[ . 1 . 2]" 4
134 1 89 PHE HA 1 92 GLN HG2 4.000 . 5.000 5.075 5.022 5.141 0.141 7 0 "[ . 1 . 2]" 4
135 1 89 PHE QE 1 93 SER HA 5.000 . 6.000 5.882 5.609 6.047 0.047 2 0 "[ . 1 . 2]" 4
136 1 89 PHE QE 1 93 SER HB3 4.000 . 5.000 4.595 4.041 5.046 0.046 5 0 "[ . 1 . 2]" 4
137 1 89 PHE HA 1 92 GLN H 4.000 . 5.000 3.243 3.083 3.445 . 0 0 "[ . 1 . 2]" 4
138 1 90 GLN H 1 92 GLN H 4.000 . 5.000 4.103 3.964 4.287 . 0 0 "[ . 1 . 2]" 4
139 1 90 GLN H 1 92 GLN QB 4.000 . 5.000 4.784 4.616 4.969 . 0 0 "[ . 1 . 2]" 4
140 1 90 GLN HA 1 93 SER HB3 3.500 . 4.000 3.484 2.661 4.049 0.049 12 0 "[ . 1 . 2]" 4
141 1 90 GLN HB2 1 94 LYS QE 4.000 . 5.000 4.528 3.425 5.040 0.040 9 0 "[ . 1 . 2]" 4
142 1 90 GLN HG2 1 94 LYS QE 4.000 . 5.000 4.863 4.280 5.092 0.092 9 0 "[ . 1 . 2]" 4
143 1 91 ALA HA 1 94 LYS QE 4.000 . 5.000 2.797 1.770 4.128 0.030 20 0 "[ . 1 . 2]" 4
144 1 91 ALA MB 1 95 TRP HD1 5.000 . 6.000 4.344 3.880 4.603 . 0 0 "[ . 1 . 2]" 4
145 1 91 ALA HA 1 94 LYS H 4.000 . 5.000 3.512 3.359 3.711 . 0 0 "[ . 1 . 2]" 4
146 1 91 ALA H 1 93 SER H 4.000 . 5.000 4.083 3.911 4.363 . 0 0 "[ . 1 . 2]" 4
147 1 92 GLN HA 1 95 TRP HD1 3.500 . 4.000 3.946 3.663 4.090 0.090 19 0 "[ . 1 . 2]" 4
148 1 92 GLN HG3 1 95 TRP HE3 4.000 . 5.000 3.762 3.098 4.692 . 0 0 "[ . 1 . 2]" 4
149 1 92 GLN HG3 1 95 TRP HH2 4.000 . 5.000 4.037 3.580 4.819 . 0 0 "[ . 1 . 2]" 4
150 1 92 GLN H 1 94 LYS H 4.000 . 5.000 4.021 3.766 4.163 . 0 0 "[ . 1 . 2]" 4
151 1 92 GLN HA 1 95 TRP HE1 3.500 . 4.000 3.806 3.531 4.029 0.029 7 0 "[ . 1 . 2]" 4
152 1 93 SER HA 1 95 TRP H 4.000 . 5.000 3.708 3.581 3.791 . 0 0 "[ . 1 . 2]" 4
153 1 95 TRP HB3 1 97 GLY H 3.500 . 4.000 2.285 2.170 2.515 . 0 0 "[ . 1 . 2]" 4
154 1 95 TRP HB2 1 97 GLY H 4.000 . 5.000 3.655 3.412 3.990 . 0 0 "[ . 1 . 2]" 4
155 1 95 TRP HB2 1 99 GLY H 4.000 . 5.000 5.045 4.997 5.096 0.096 19 0 "[ . 1 . 2]" 4
156 1 95 TRP HH2 1 99 GLY H 3.500 . 4.000 4.105 4.053 4.161 0.161 3 0 "[ . 1 . 2]" 4
157 1 95 TRP HZ2 1 100 LYS H 4.000 . 5.000 4.040 3.792 4.475 . 0 0 "[ . 1 . 2]" 4
158 1 95 TRP HZ3 1 99 GLY H 4.000 . 5.000 2.395 1.989 2.594 . 0 0 "[ . 1 . 2]" 4
159 1 95 TRP HZ3 1 100 LYS H 4.000 . 5.000 4.104 3.686 4.435 . 0 0 "[ . 1 . 2]" 4
160 1 95 TRP HD1 1 97 GLY H 4.500 . 5.500 5.427 5.283 5.551 0.051 8 0 "[ . 1 . 2]" 4
161 1 95 TRP HH2 1 100 LYS HA 4.000 . 5.000 2.482 2.152 3.290 . 0 0 "[ . 1 . 2]" 4
162 1 95 TRP HZ3 1 100 LYS HA 3.500 . 4.000 3.543 3.265 3.894 . 0 0 "[ . 1 . 2]" 4
163 1 95 TRP HE3 1 98 ALA HA 5.000 . 6.000 3.019 2.775 3.307 . 0 0 "[ . 1 . 2]" 4
164 1 95 TRP HE3 1 99 GLY HA2 5.000 . 6.000 4.194 3.862 4.438 . 0 0 "[ . 1 . 2]" 4
165 1 100 LYS HE2 1 102 ILE MD 4.000 . 5.000 4.561 2.743 5.097 0.097 14 0 "[ . 1 . 2]" 4
166 1 100 LYS HB3 1 102 ILE MD 4.500 . 5.500 3.802 2.711 5.513 0.013 9 0 "[ . 1 . 2]" 4
167 1 100 LYS HB2 1 102 ILE MD 4.500 . 5.500 2.727 2.054 4.154 . 0 0 "[ . 1 . 2]" 4
168 1 100 LYS HE3 1 102 ILE MD 4.000 . 5.000 4.515 3.108 5.093 0.093 6 0 "[ . 1 . 2]" 4
169 1 102 ILE MG 1 104 LYS HE3 4.000 . 5.000 3.991 3.148 5.007 0.007 16 0 "[ . 1 . 2]" 4
170 1 102 ILE MG 1 104 LYS HE2 4.000 . 5.000 2.818 2.231 3.533 . 0 0 "[ . 1 . 2]" 4
171 1 105 LEU QB 1 108 GLN QG 3.500 . 4.000 2.721 1.791 3.938 0.009 3 0 "[ . 1 . 2]" 4
172 1 105 LEU MD1 1 108 GLN HB3 4.500 . 5.500 5.175 4.412 5.608 0.108 13 0 "[ . 1 . 2]" 4
173 1 105 LEU MD1 1 108 GLN QG 4.500 . 5.500 4.186 2.940 5.584 0.084 8 0 "[ . 1 . 2]" 4
174 1 105 LEU MD2 1 107 GLU QG 4.000 . 5.000 3.113 1.960 3.895 . 0 0 "[ . 1 . 2]" 4
175 1 105 LEU MD2 1 108 GLN QG 4.000 . 5.000 3.823 2.380 4.978 . 0 0 "[ . 1 . 2]" 4
176 1 105 LEU MD2 1 108 GLN HB2 4.500 . 5.500 4.205 2.347 5.523 0.023 7 0 "[ . 1 . 2]" 4
177 1 105 LEU QB 1 107 GLU QG 3.500 . 4.000 3.252 1.780 4.032 0.032 1 0 "[ . 1 . 2]" 4
178 1 105 LEU MD1 1 107 GLU QG 4.500 . 5.500 4.548 2.216 5.578 0.078 5 0 "[ . 1 . 2]" 4
179 1 105 LEU MD1 1 107 GLU H 4.500 . 5.500 4.615 3.925 5.186 . 0 0 "[ . 1 . 2]" 4
180 1 105 LEU MD2 1 107 GLU H 4.500 . 5.500 3.553 3.011 3.996 . 0 0 "[ . 1 . 2]" 4
181 1 105 LEU H 1 109 VAL HB 4.000 . 5.000 5.094 5.005 5.183 0.183 3 0 "[ . 1 . 2]" 4
182 1 106 LYS HA 1 109 VAL HB 3.500 . 4.000 2.208 1.784 2.735 0.016 4 0 "[ . 1 . 2]" 4
183 1 107 GLU HA 1 110 GLN QB 3.000 . 3.500 3.354 2.520 3.573 0.073 11 0 "[ . 1 . 2]" 4
184 1 109 VAL MG1 1 111 ALA HA 4.500 . 5.500 5.280 3.003 5.683 0.183 4 0 "[ . 1 . 2]" 4
185 1 108 GLN H 1 110 GLN HG2 4.000 . 5.000 4.687 3.827 5.050 0.050 4 0 "[ . 1 . 2]" 4
186 1 109 VAL QG 1 111 ALA H 5.000 . 6.000 3.731 1.773 5.595 0.027 20 0 "[ . 1 . 2]" 4
187 1 109 VAL QG 1 112 SER QB 4.500 . 5.500 4.813 3.128 5.608 0.108 3 0 "[ . 1 . 2]" 4
188 1 110 GLN QB 1 112 SER H 3.500 . 4.000 3.849 2.997 4.129 0.129 2 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 8
_Distance_constraint_stats_list.Viol_count 17
_Distance_constraint_stats_list.Viol_total 16.005
_Distance_constraint_stats_list.Viol_max 0.110
_Distance_constraint_stats_list.Viol_rms 0.0178
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0050
_Distance_constraint_stats_list.Viol_average_violations_only 0.0471
_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 28 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 34 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 39 LEU 0.800 0.110 8 0 "[ . 1 . 2]"
1 45 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 48 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 49 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 51 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 53 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 54 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 55 SER 0.800 0.110 8 0 "[ . 1 . 2]"
1 56 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 57 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 58 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 104 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 105 LEU 0.800 0.110 8 0 "[ . 1 . 2]"
1 107 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 108 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 109 VAL 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 45 SER QB 1 48 ILE MG 4.500 . 5.500 4.627 3.921 5.316 . 0 0 "[ . 1 . 2]" 5
2 1 28 VAL MG2 1 30 THR H 4.500 . 5.500 4.574 4.366 4.800 . 0 0 "[ . 1 . 2]" 5
3 1 39 LEU MD1 1 55 SER H 4.500 . 5.500 5.492 4.684 5.610 0.110 8 0 "[ . 1 . 2]" 5
4 1 51 ASN HB2 1 55 SER H 4.000 . 5.000 3.958 2.663 4.306 . 0 0 "[ . 1 . 2]" 5
5 1 54 PRO HA 1 57 TYR H 4.000 . 5.000 3.780 3.507 3.975 . 0 0 "[ . 1 . 2]" 5
6 1 58 VAL MG2 1 105 LEU H 4.500 . 5.500 3.529 3.038 4.085 . 0 0 "[ . 1 . 2]" 5
7 1 58 VAL MG2 1 107 GLU H 4.500 . 5.500 3.961 3.775 4.114 . 0 0 "[ . 1 . 2]" 5
8 1 104 LYS QG 1 108 GLN H 4.000 . 5.000 2.542 2.074 3.137 . 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 61
_Distance_constraint_stats_list.Viol_count 411
_Distance_constraint_stats_list.Viol_total 307.167
_Distance_constraint_stats_list.Viol_max 0.154
_Distance_constraint_stats_list.Viol_rms 0.0250
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0126
_Distance_constraint_stats_list.Viol_average_violations_only 0.0374
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 7 PHE 2.788 0.151 7 0 "[ . 1 . 2]"
1 9 VAL 1.385 0.070 15 0 "[ . 1 . 2]"
1 11 VAL 2.317 0.096 19 0 "[ . 1 . 2]"
1 21 THR 2.317 0.096 19 0 "[ . 1 . 2]"
1 23 ILE 1.385 0.070 15 0 "[ . 1 . 2]"
1 25 ALA 2.788 0.151 7 0 "[ . 1 . 2]"
1 30 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 31 ALA 0.187 0.029 18 0 "[ . 1 . 2]"
1 32 GLN 0.109 0.048 3 0 "[ . 1 . 2]"
1 33 ASP 0.054 0.019 13 0 "[ . 1 . 2]"
1 34 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 ILE 0.235 0.037 10 0 "[ . 1 . 2]"
1 36 GLN 0.430 0.092 8 0 "[ . 1 . 2]"
1 37 GLN 0.231 0.043 15 0 "[ . 1 . 2]"
1 38 THR 0.362 0.066 4 0 "[ . 1 . 2]"
1 39 LEU 0.048 0.037 10 0 "[ . 1 . 2]"
1 40 CYS 0.321 0.092 8 0 "[ . 1 . 2]"
1 41 LYS 0.176 0.043 15 0 "[ . 1 . 2]"
1 42 ALA 0.362 0.066 4 0 "[ . 1 . 2]"
1 56 ASP 0.128 0.057 7 0 "[ . 1 . 2]"
1 58 VAL 0.653 0.065 2 0 "[ . 1 . 2]"
1 59 LEU 0.161 0.048 5 0 "[ . 1 . 2]"
1 60 LEU 1.031 0.084 20 0 "[ . 1 . 2]"
1 61 GLU 2.006 0.154 12 0 "[ . 1 . 2]"
1 62 GLU 1.543 0.100 9 0 "[ . 1 . 2]"
1 63 VAL 0.382 0.041 7 0 "[ . 1 . 2]"
1 65 LYS 0.412 0.084 9 0 "[ . 1 . 2]"
1 76 LYS 0.412 0.084 9 0 "[ . 1 . 2]"
1 78 SER 0.382 0.041 7 0 "[ . 1 . 2]"
1 80 ARG 2.006 0.154 12 0 "[ . 1 . 2]"
1 82 LEU 0.161 0.048 5 0 "[ . 1 . 2]"
1 87 CYS 0.776 0.102 5 0 "[ . 1 . 2]"
1 88 VAL 0.492 0.057 2 0 "[ . 1 . 2]"
1 89 PHE 0.028 0.013 12 0 "[ . 1 . 2]"
1 91 ALA 0.776 0.102 5 0 "[ . 1 . 2]"
1 92 GLN 0.492 0.057 2 0 "[ . 1 . 2]"
1 93 SER 0.028 0.013 12 0 "[ . 1 . 2]"
1 100 LYS 1.543 0.100 9 0 "[ . 1 . 2]"
1 102 ILE 1.031 0.084 20 0 "[ . 1 . 2]"
1 104 LYS 0.653 0.065 2 0 "[ . 1 . 2]"
1 106 LYS 0.128 0.057 7 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 30 THR O 1 34 VAL N 2.800 2.800 3.300 2.939 2.830 3.073 . 0 0 "[ . 1 . 2]" 6
2 1 30 THR O 1 34 VAL H 1.800 . 2.300 1.962 1.851 2.091 . 0 0 "[ . 1 . 2]" 6
3 1 31 ALA O 1 35 ILE H 1.800 . 2.300 1.793 1.771 1.838 0.029 18 0 "[ . 1 . 2]" 6
4 1 32 GLN O 1 36 GLN N 2.800 2.800 3.300 3.135 2.953 3.299 . 0 0 "[ . 1 . 2]" 6
5 1 32 GLN O 1 36 GLN H 1.800 . 2.300 2.189 2.008 2.348 0.048 3 0 "[ . 1 . 2]" 6
6 1 33 ASP O 1 37 GLN N 2.800 2.800 3.300 2.863 2.781 3.071 0.019 13 0 "[ . 1 . 2]" 6
7 1 33 ASP O 1 37 GLN H 1.800 . 2.300 1.938 1.837 2.184 . 0 0 "[ . 1 . 2]" 6
8 1 34 VAL O 1 38 THR N 2.800 2.800 3.300 2.952 2.810 3.222 . 0 0 "[ . 1 . 2]" 6
9 1 34 VAL O 1 38 THR H 1.800 . 2.300 2.040 1.875 2.292 . 0 0 "[ . 1 . 2]" 6
10 1 35 ILE O 1 39 LEU N 2.800 2.800 3.300 2.909 2.763 3.161 0.037 10 0 "[ . 1 . 2]" 6
11 1 35 ILE O 1 39 LEU H 1.800 . 2.300 1.990 1.801 2.222 . 0 0 "[ . 1 . 2]" 6
12 1 36 GLN O 1 40 CYS N 2.800 2.800 3.300 2.812 2.708 2.897 0.092 8 0 "[ . 1 . 2]" 6
13 1 36 GLN O 1 40 CYS H 1.800 . 2.300 1.945 1.823 2.081 . 0 0 "[ . 1 . 2]" 6
14 1 37 GLN O 1 41 LYS N 2.800 2.800 3.300 3.077 2.783 3.257 0.017 13 0 "[ . 1 . 2]" 6
15 1 37 GLN O 1 41 LYS H 1.800 . 2.300 2.224 1.919 2.343 0.043 15 0 "[ . 1 . 2]" 6
16 1 38 THR O 1 42 ALA N 2.800 2.800 3.300 2.817 2.734 3.024 0.066 4 0 "[ . 1 . 2]" 6
17 1 38 THR O 1 42 ALA H 1.800 . 2.300 2.039 1.774 2.311 0.026 4 0 "[ . 1 . 2]" 6
18 1 87 CYS O 1 91 ALA N 2.800 2.800 3.300 2.807 2.698 3.189 0.102 5 0 "[ . 1 . 2]" 6
19 1 87 CYS O 1 91 ALA H 1.800 . 2.300 1.918 1.747 2.321 0.053 5 0 "[ . 1 . 2]" 6
20 1 88 VAL O 1 92 GLN N 2.800 2.800 3.300 2.777 2.743 2.840 0.057 2 0 "[ . 1 . 2]" 6
21 1 88 VAL O 1 92 GLN H 1.800 . 2.300 1.845 1.807 1.905 . 0 0 "[ . 1 . 2]" 6
22 1 89 PHE O 1 93 SER N 2.800 2.800 3.300 3.019 2.847 3.182 . 0 0 "[ . 1 . 2]" 6
23 1 89 PHE O 1 93 SER H 1.800 . 2.300 2.192 1.930 2.313 0.013 12 0 "[ . 1 . 2]" 6
24 1 7 PHE H 1 25 ALA O 1.800 . 2.300 1.776 1.730 1.843 0.070 9 0 "[ . 1 . 2]" 6
25 1 7 PHE N 1 25 ALA O 2.800 2.800 3.300 2.694 2.649 2.742 0.151 7 0 "[ . 1 . 2]" 6
26 1 7 PHE O 1 25 ALA H 1.800 . 2.300 2.155 1.856 2.312 0.012 2 0 "[ . 1 . 2]" 6
27 1 7 PHE O 1 25 ALA N 2.800 2.800 3.300 2.918 2.791 3.013 0.009 10 0 "[ . 1 . 2]" 6
28 1 9 VAL H 1 23 ILE O 1.800 . 2.300 1.816 1.782 1.936 0.018 9 0 "[ . 1 . 2]" 6
29 1 9 VAL N 1 23 ILE O 2.800 2.800 3.300 2.766 2.730 2.785 0.070 15 0 "[ . 1 . 2]" 6
30 1 9 VAL O 1 23 ILE H 1.800 . 2.300 1.856 1.785 2.248 0.015 12 0 "[ . 1 . 2]" 6
31 1 9 VAL O 1 23 ILE N 2.800 2.800 3.300 2.801 2.742 3.180 0.058 14 0 "[ . 1 . 2]" 6
32 1 11 VAL H 1 21 THR O 1.800 . 2.300 1.810 1.744 1.978 0.056 19 0 "[ . 1 . 2]" 6
33 1 11 VAL N 1 21 THR O 2.800 2.800 3.300 2.763 2.704 2.944 0.096 19 0 "[ . 1 . 2]" 6
34 1 11 VAL O 1 21 THR H 1.800 . 2.300 1.999 1.862 2.131 . 0 0 "[ . 1 . 2]" 6
35 1 11 VAL O 1 21 THR N 2.800 2.800 3.300 2.754 2.711 2.809 0.089 8 0 "[ . 1 . 2]" 6
36 1 59 LEU O 1 82 LEU H 1.800 . 2.300 1.930 1.802 2.019 . 0 0 "[ . 1 . 2]" 6
37 1 59 LEU O 1 82 LEU N 2.800 2.800 3.300 2.846 2.752 2.948 0.048 5 0 "[ . 1 . 2]" 6
38 1 61 GLU H 1 80 ARG O 1.800 . 2.300 1.989 1.809 2.129 . 0 0 "[ . 1 . 2]" 6
39 1 61 GLU N 1 80 ARG O 2.800 2.800 3.300 2.708 2.646 2.744 0.154 12 0 "[ . 1 . 2]" 6
40 1 61 GLU O 1 80 ARG H 1.800 . 2.300 2.259 2.061 2.342 0.042 6 0 "[ . 1 . 2]" 6
41 1 61 GLU O 1 80 ARG N 2.800 2.800 3.300 3.081 2.910 3.141 . 0 0 "[ . 1 . 2]" 6
42 1 63 VAL H 1 78 SER O 1.800 . 2.300 1.835 1.794 1.929 0.006 7 0 "[ . 1 . 2]" 6
43 1 63 VAL N 1 78 SER O 2.800 2.800 3.300 2.794 2.759 2.896 0.041 7 0 "[ . 1 . 2]" 6
44 1 63 VAL O 1 78 SER H 1.800 . 2.300 1.960 1.847 2.319 0.019 4 0 "[ . 1 . 2]" 6
45 1 63 VAL O 1 78 SER N 2.800 2.800 3.300 2.860 2.779 3.217 0.021 6 0 "[ . 1 . 2]" 6
46 1 65 LYS H 1 76 LYS O 1.800 . 2.300 2.171 1.834 2.384 0.084 9 0 "[ . 1 . 2]" 6
47 1 65 LYS N 1 76 LYS O 2.800 2.800 3.300 2.841 2.730 3.144 0.070 5 0 "[ . 1 . 2]" 6
48 1 56 ASP O 1 106 LYS H 1.800 . 2.300 1.968 1.797 2.242 0.003 7 0 "[ . 1 . 2]" 6
49 1 56 ASP O 1 106 LYS N 2.800 2.800 3.300 2.894 2.743 3.067 0.057 7 0 "[ . 1 . 2]" 6
50 1 58 VAL H 1 104 LYS O 1.800 . 2.300 1.881 1.772 2.114 0.028 10 0 "[ . 1 . 2]" 6
51 1 58 VAL N 1 104 LYS O 2.800 2.800 3.300 2.788 2.735 2.982 0.065 2 0 "[ . 1 . 2]" 6
52 1 58 VAL O 1 104 LYS H 1.800 . 2.300 2.147 1.984 2.326 0.026 19 0 "[ . 1 . 2]" 6
53 1 58 VAL O 1 104 LYS N 2.800 2.800 3.300 3.037 2.810 3.279 . 0 0 "[ . 1 . 2]" 6
54 1 60 LEU H 1 102 ILE O 1.800 . 2.300 1.850 1.779 2.017 0.021 20 0 "[ . 1 . 2]" 6
55 1 60 LEU N 1 102 ILE O 2.800 2.800 3.300 2.780 2.716 2.919 0.084 20 0 "[ . 1 . 2]" 6
56 1 60 LEU O 1 102 ILE H 1.800 . 2.300 2.014 1.785 2.283 0.015 14 0 "[ . 1 . 2]" 6
57 1 60 LEU O 1 102 ILE N 2.800 2.800 3.300 2.878 2.718 3.068 0.082 14 0 "[ . 1 . 2]" 6
58 1 62 GLU H 1 100 LYS O 1.800 . 2.300 2.313 2.146 2.400 0.100 9 0 "[ . 1 . 2]" 6
59 1 62 GLU N 1 100 LYS O 2.800 2.800 3.300 3.067 2.925 3.180 . 0 0 "[ . 1 . 2]" 6
60 1 62 GLU O 1 100 LYS H 1.800 . 2.300 1.898 1.814 1.944 . 0 0 "[ . 1 . 2]" 6
61 1 62 GLU O 1 100 LYS N 2.800 2.800 3.300 2.748 2.720 2.767 0.080 16 0 "[ . 1 . 2]" 6
stop_
save_
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