NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
603248 |
5jn6   |
30070 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_5jn6
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 482
_Distance_constraint_stats_list.Viol_count 975
_Distance_constraint_stats_list.Viol_total 3308.418
_Distance_constraint_stats_list.Viol_max 0.762
_Distance_constraint_stats_list.Viol_rms 0.0596
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0156
_Distance_constraint_stats_list.Viol_average_violations_only 0.1616
_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 22 MET 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 23 GLY 0.451 0.262 18 0 "[ . 1 . 2 ]"
1 24 LYS 0.451 0.262 18 0 "[ . 1 . 2 ]"
1 25 ALA 0.837 0.249 17 0 "[ . 1 . 2 ]"
1 26 TYR 2.228 0.234 13 0 "[ . 1 . 2 ]"
1 27 TYR 0.263 0.085 11 0 "[ . 1 . 2 ]"
1 28 ASP 5.636 0.392 1 0 "[ . 1 . 2 ]"
1 29 ILE 1.478 0.580 8 2 "[ . + 1 . 2-]"
1 30 VAL 2.484 0.228 13 0 "[ . 1 . 2 ]"
1 31 GLY 0.797 0.239 1 0 "[ . 1 . 2 ]"
1 32 SER 2.420 0.582 5 2 "[ -+ 1 . 2 ]"
1 33 ASP 6.449 0.762 16 1 "[ . 1 .+ 2 ]"
1 34 ASN 8.559 0.484 2 0 "[ . 1 . 2 ]"
1 35 ARG 6.353 0.670 11 1 "[ . 1+ . 2 ]"
1 36 TRP 23.486 0.670 11 3 "[ -* 1+ . 2 ]"
1 37 GLY 5.341 0.580 8 2 "[ . + 1 . 2-]"
1 38 ILE 11.487 0.500 18 0 "[ . 1 . 2 ]"
1 39 ARG 1.207 0.316 8 0 "[ . 1 . 2 ]"
1 40 HIS 7.950 0.419 21 0 "[ . 1 . 2 ]"
1 41 ASP 0.945 0.316 8 0 "[ . 1 . 2 ]"
1 42 ASP 4.111 0.419 21 0 "[ . 1 . 2 ]"
1 43 ASP 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 45 THR 6.960 0.516 9 1 "[ . +1 . 2 ]"
1 46 GLY 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 47 ASP 6.858 0.601 14 3 "[* . -1 +. 2 ]"
1 48 TYR 2.272 0.448 6 0 "[ . 1 . 2 ]"
1 49 SER 4.979 0.601 14 2 "[- . 1 +. 2 ]"
1 50 SER 0.130 0.130 6 0 "[ . 1 . 2 ]"
1 51 LYS 11.274 0.448 6 0 "[ . 1 . 2 ]"
1 52 GLU 15.112 0.400 19 0 "[ . 1 . 2 ]"
1 53 ALA 9.071 0.351 2 0 "[ . 1 . 2 ]"
1 54 ALA 0.520 0.088 8 0 "[ . 1 . 2 ]"
1 55 PHE 16.946 0.463 3 0 "[ . 1 . 2 ]"
1 56 GLU 13.928 0.400 19 0 "[ . 1 . 2 ]"
1 57 ALA 11.433 0.368 5 0 "[ . 1 . 2 ]"
1 58 ALA 8.838 0.351 2 0 "[ . 1 . 2 ]"
1 59 CYS 13.966 0.463 3 0 "[ . 1 . 2 ]"
1 60 ALA 5.726 0.368 5 0 "[ . 1 . 2 ]"
1 61 ALA 5.477 0.293 13 0 "[ . 1 . 2 ]"
1 62 ALA 3.375 0.279 14 0 "[ . 1 . 2 ]"
1 63 SER 9.089 0.451 16 0 "[ . 1 . 2 ]"
1 64 ASN 4.053 0.383 20 0 "[ . 1 . 2 ]"
1 65 ALA 2.767 0.239 17 0 "[ . 1 . 2 ]"
1 66 ILE 2.844 0.225 13 0 "[ . 1 . 2 ]"
1 67 LYS 7.665 0.451 16 0 "[ . 1 . 2 ]"
1 68 PHE 10.243 0.500 16 0 "[ . 1 . 2 ]"
1 69 GLY 2.964 0.219 7 0 "[ . 1 . 2 ]"
1 70 HIS 7.648 0.762 16 1 "[ . 1 .+ 2 ]"
1 71 GLU 3.003 0.219 7 0 "[ . 1 . 2 ]"
1 72 VAL 0.386 0.118 14 0 "[ . 1 . 2 ]"
1 73 ARG 4.150 0.320 14 0 "[ . 1 . 2 ]"
1 74 ILE 7.009 0.326 11 0 "[ . 1 . 2 ]"
1 75 THR 5.398 0.326 11 0 "[ . 1 . 2 ]"
1 76 VAL 6.358 0.491 15 0 "[ . 1 . 2 ]"
1 78 GLY 1.691 0.356 17 0 "[ . 1 . 2 ]"
1 79 ASN 0.164 0.062 10 0 "[ . 1 . 2 ]"
1 80 ASP 1.884 0.356 17 0 "[ . 1 . 2 ]"
1 81 GLY 1.876 0.377 21 0 "[ . 1 . 2 ]"
1 82 SER 0.254 0.254 9 0 "[ . 1 . 2 ]"
1 83 GLU 0.221 0.195 6 0 "[ . 1 . 2 ]"
1 84 THR 1.875 0.377 21 0 "[ . 1 . 2 ]"
1 85 ASN 0.235 0.165 18 0 "[ . 1 . 2 ]"
1 86 LEU 0.515 0.211 19 0 "[ . 1 . 2 ]"
1 87 GLY 0.212 0.115 1 0 "[ . 1 . 2 ]"
1 88 VAL 1.175 0.245 12 0 "[ . 1 . 2 ]"
1 89 ILE 0.212 0.115 1 0 "[ . 1 . 2 ]"
1 90 THR 1.175 0.245 12 0 "[ . 1 . 2 ]"
1 91 ASN 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 22 MET QB 1 23 GLY QA 5.000 . 6.000 3.936 3.407 4.336 . 0 0 "[ . 1 . 2 ]" 1
2 1 22 MET HA 1 23 GLY H 5.000 . 6.000 2.747 2.123 3.589 . 0 0 "[ . 1 . 2 ]" 1
3 1 22 MET QB 1 23 GLY H 5.000 . 6.000 3.060 1.953 3.956 . 0 0 "[ . 1 . 2 ]" 1
4 1 23 GLY H 1 24 LYS HA 5.000 . 6.000 5.081 4.439 5.571 . 0 0 "[ . 1 . 2 ]" 1
5 1 23 GLY QA 1 24 LYS H 5.000 . 6.000 2.383 2.077 2.907 . 0 0 "[ . 1 . 2 ]" 1
6 1 23 GLY QA 1 24 LYS QB 5.000 . 6.000 4.188 3.466 4.690 . 0 0 "[ . 1 . 2 ]" 1
7 1 23 GLY H 1 24 LYS QB 5.000 . 6.000 5.186 3.819 6.262 0.262 18 0 "[ . 1 . 2 ]" 1
8 1 24 LYS HA 1 25 ALA H 5.000 . 6.000 2.170 2.091 2.266 . 0 0 "[ . 1 . 2 ]" 1
9 1 23 GLY QA 1 25 ALA H 5.000 . 6.000 5.236 4.540 5.804 . 0 0 "[ . 1 . 2 ]" 1
10 1 24 LYS QB 1 25 ALA H 5.000 . 6.000 3.333 2.690 3.937 . 0 0 "[ . 1 . 2 ]" 1
11 1 24 LYS HA 1 25 ALA MB 5.000 . 6.000 3.996 3.827 4.122 . 0 0 "[ . 1 . 2 ]" 1
12 1 25 ALA MB 1 26 TYR H 5.000 . 6.000 3.467 2.774 3.631 . 0 0 "[ . 1 . 2 ]" 1
13 1 25 ALA MB 1 51 LYS QB 5.000 . 6.000 5.362 3.936 6.107 0.107 3 0 "[ . 1 . 2 ]" 1
14 1 25 ALA MB 1 55 PHE QD 5.000 . 6.000 5.648 4.618 6.249 0.249 17 0 "[ . 1 . 2 ]" 1
15 1 24 LYS QD 1 26 TYR QB 5.000 . 6.000 4.680 2.581 5.831 . 0 0 "[ . 1 . 2 ]" 1
16 1 24 LYS QG 1 26 TYR QB 5.000 . 6.000 4.570 2.379 5.920 . 0 0 "[ . 1 . 2 ]" 1
17 1 25 ALA HA 1 26 TYR H 5.000 . 6.000 2.201 2.111 2.296 . 0 0 "[ . 1 . 2 ]" 1
18 1 26 TYR QB 1 28 ASP H 5.000 . 6.000 5.425 4.985 5.809 . 0 0 "[ . 1 . 2 ]" 1
19 1 26 TYR QB 1 28 ASP QB 5.000 . 6.000 5.289 4.682 6.037 0.037 6 0 "[ . 1 . 2 ]" 1
20 1 26 TYR QB 1 40 HIS HD1 5.000 . 6.000 5.810 4.597 6.221 0.221 14 0 "[ . 1 . 2 ]" 1
21 1 26 TYR QB 1 45 THR HG1 5.000 . 6.000 4.670 3.225 6.234 0.234 13 0 "[ . 1 . 2 ]" 1
22 1 26 TYR QB 1 48 TYR HA 5.000 . 6.000 5.894 5.301 6.157 0.157 5 0 "[ . 1 . 2 ]" 1
23 1 26 TYR QB 1 51 LYS QG 5.000 . 6.000 5.742 5.054 6.129 0.129 12 0 "[ . 1 . 2 ]" 1
24 1 26 TYR QB 1 27 TYR H 5.000 . 6.000 3.672 3.599 3.799 . 0 0 "[ . 1 . 2 ]" 1
25 1 26 TYR QB 1 27 TYR HA 5.000 . 6.000 4.576 4.288 4.816 . 0 0 "[ . 1 . 2 ]" 1
26 1 27 TYR QB 1 27 TYR HH 5.000 . 6.000 5.736 5.665 5.807 . 0 0 "[ . 1 . 2 ]" 1
27 1 27 TYR HA 1 28 ASP H 5.000 . 6.000 2.124 2.065 2.161 . 0 0 "[ . 1 . 2 ]" 1
28 1 27 TYR QB 1 28 ASP QB 5.000 . 6.000 4.828 4.568 5.313 . 0 0 "[ . 1 . 2 ]" 1
29 1 27 TYR HA 1 29 ILE QG 5.000 . 6.000 4.853 4.486 5.532 . 0 0 "[ . 1 . 2 ]" 1
30 1 27 TYR QB 1 29 ILE HA 5.000 . 6.000 4.944 4.564 5.525 . 0 0 "[ . 1 . 2 ]" 1
31 1 27 TYR HA 1 39 ARG H 5.000 . 6.000 5.249 4.392 5.915 . 0 0 "[ . 1 . 2 ]" 1
32 1 27 TYR HA 1 39 ARG QB 5.000 . 6.000 5.349 4.775 6.085 0.085 11 0 "[ . 1 . 2 ]" 1
33 1 27 TYR QB 1 39 ARG H 5.000 . 6.000 4.126 3.569 4.666 . 0 0 "[ . 1 . 2 ]" 1
34 1 27 TYR QB 1 40 HIS H 5.000 . 6.000 4.848 3.604 5.810 . 0 0 "[ . 1 . 2 ]" 1
35 1 27 TYR QB 1 40 HIS HA 5.000 . 6.000 3.106 1.837 4.156 . 0 0 "[ . 1 . 2 ]" 1
36 1 27 TYR HA 1 41 ASP H 5.000 . 6.000 2.325 1.797 3.100 0.003 14 0 "[ . 1 . 2 ]" 1
37 1 27 TYR QB 1 55 PHE HZ 5.000 . 6.000 5.312 3.870 6.053 0.053 10 0 "[ . 1 . 2 ]" 1
38 1 26 TYR QD 1 28 ASP HA 5.000 . 6.000 4.587 4.263 4.936 . 0 0 "[ . 1 . 2 ]" 1
39 1 26 TYR QE 1 28 ASP HA 5.000 . 6.000 3.388 2.973 3.814 . 0 0 "[ . 1 . 2 ]" 1
40 1 26 TYR HH 1 28 ASP QB 5.000 . 6.000 3.437 1.938 5.528 . 0 0 "[ . 1 . 2 ]" 1
41 1 27 TYR QB 1 28 ASP H 5.000 . 6.000 3.243 2.934 3.421 . 0 0 "[ . 1 . 2 ]" 1
42 1 28 ASP QB 1 30 VAL QG 5.000 . 6.000 4.565 4.202 5.069 . 0 0 "[ . 1 . 2 ]" 1
43 1 28 ASP H 1 39 ARG H 5.000 . 6.000 4.146 3.252 5.052 . 0 0 "[ . 1 . 2 ]" 1
44 1 28 ASP H 1 39 ARG QB 5.000 . 6.000 3.834 3.247 5.003 . 0 0 "[ . 1 . 2 ]" 1
45 1 28 ASP QB 1 39 ARG H 5.000 . 6.000 4.460 3.498 5.459 . 0 0 "[ . 1 . 2 ]" 1
46 1 28 ASP QB 1 39 ARG HE 5.000 . 6.000 2.977 2.290 4.150 . 0 0 "[ . 1 . 2 ]" 1
47 1 28 ASP QB 1 39 ARG QG 5.000 . 6.000 3.482 2.284 5.769 . 0 0 "[ . 1 . 2 ]" 1
48 1 28 ASP HA 1 40 HIS HA 5.000 . 6.000 6.128 5.904 6.338 0.338 12 0 "[ . 1 . 2 ]" 1
49 1 27 TYR H 1 29 ILE QG 5.000 . 6.000 4.887 4.432 5.555 . 0 0 "[ . 1 . 2 ]" 1
50 1 28 ASP HA 1 29 ILE H 5.000 . 6.000 2.126 2.070 2.208 . 0 0 "[ . 1 . 2 ]" 1
51 1 28 ASP QB 1 29 ILE H 5.000 . 6.000 3.817 2.702 3.926 . 0 0 "[ . 1 . 2 ]" 1
52 1 29 ILE HB 1 31 GLY H 5.000 . 6.000 5.416 5.179 5.700 . 0 0 "[ . 1 . 2 ]" 1
53 1 29 ILE QG 1 31 GLY QA 5.000 . 6.000 4.309 3.484 4.926 . 0 0 "[ . 1 . 2 ]" 1
54 1 29 ILE HA 1 38 ILE H 5.000 . 6.000 5.376 4.870 5.846 . 0 0 "[ . 1 . 2 ]" 1
55 1 29 ILE HA 1 38 ILE HA 5.000 . 6.000 2.842 2.406 3.301 . 0 0 "[ . 1 . 2 ]" 1
56 1 29 ILE QG 1 38 ILE MD 5.000 . 6.000 3.037 1.761 4.830 0.039 8 0 "[ . 1 . 2 ]" 1
57 1 29 ILE QG 1 38 ILE QG 5.000 . 6.000 2.500 1.938 3.039 . 0 0 "[ . 1 . 2 ]" 1
58 1 29 ILE HA 1 39 ARG H 5.000 . 6.000 2.815 2.398 3.219 . 0 0 "[ . 1 . 2 ]" 1
59 1 29 ILE H 1 58 ALA MB 5.000 . 6.000 5.111 4.626 5.534 . 0 0 "[ . 1 . 2 ]" 1
60 1 29 ILE QG 1 58 ALA HA 5.000 . 6.000 2.792 1.940 3.441 . 0 0 "[ . 1 . 2 ]" 1
61 1 29 ILE HA 1 30 VAL H 5.000 . 6.000 2.193 2.107 2.282 . 0 0 "[ . 1 . 2 ]" 1
62 1 29 ILE HB 1 30 VAL H 5.000 . 6.000 2.804 2.462 3.857 . 0 0 "[ . 1 . 2 ]" 1
63 1 29 ILE HB 1 30 VAL HA 5.000 . 6.000 4.508 4.291 4.740 . 0 0 "[ . 1 . 2 ]" 1
64 1 30 VAL HA 1 31 GLY H 5.000 . 6.000 2.205 2.153 2.252 . 0 0 "[ . 1 . 2 ]" 1
65 1 30 VAL QG 1 31 GLY H 5.000 . 6.000 2.879 2.451 3.533 . 0 0 "[ . 1 . 2 ]" 1
66 1 30 VAL HB 1 32 SER QB 5.000 . 6.000 5.128 4.513 5.613 . 0 0 "[ . 1 . 2 ]" 1
67 1 30 VAL QG 1 36 TRP H 5.000 . 6.000 5.546 4.467 6.033 0.033 16 0 "[ . 1 . 2 ]" 1
68 1 30 VAL H 1 37 GLY H 5.000 . 6.000 3.411 2.956 3.895 . 0 0 "[ . 1 . 2 ]" 1
69 1 30 VAL H 1 38 ILE HA 5.000 . 6.000 3.659 3.189 4.324 . 0 0 "[ . 1 . 2 ]" 1
70 1 30 VAL H 1 58 ALA MB 5.000 . 6.000 6.105 5.864 6.228 0.228 13 0 "[ . 1 . 2 ]" 1
71 1 30 VAL HB 1 31 GLY H 4.000 . 5.000 3.780 2.977 4.197 . 0 0 "[ . 1 . 2 ]" 1
72 1 31 GLY H 1 32 SER H 5.000 . 6.000 4.219 4.165 4.320 . 0 0 "[ . 1 . 2 ]" 1
73 1 31 GLY QA 1 32 SER H 5.000 . 6.000 2.052 1.998 2.087 . 0 0 "[ . 1 . 2 ]" 1
74 1 31 GLY QA 1 36 TRP HA 5.000 . 6.000 3.759 3.076 4.413 . 0 0 "[ . 1 . 2 ]" 1
75 1 31 GLY QA 1 37 GLY QA 5.000 . 6.000 5.938 5.453 6.239 0.239 1 0 "[ . 1 . 2 ]" 1
76 1 30 VAL QG 1 32 SER QB 5.000 . 6.000 3.739 3.290 4.898 . 0 0 "[ . 1 . 2 ]" 1
77 1 32 SER H 1 33 ASP H 5.000 . 6.000 4.156 3.961 4.413 . 0 0 "[ . 1 . 2 ]" 1
78 1 32 SER HA 1 33 ASP H 5.000 . 6.000 2.197 2.114 2.314 . 0 0 "[ . 1 . 2 ]" 1
79 1 32 SER QB 1 33 ASP H 5.000 . 6.000 3.136 2.763 3.757 . 0 0 "[ . 1 . 2 ]" 1
80 1 32 SER QB 1 34 ASN HA 5.000 . 6.000 5.099 4.829 5.554 . 0 0 "[ . 1 . 2 ]" 1
81 1 32 SER HA 1 35 ARG QB 5.000 . 6.000 5.614 5.272 6.018 0.018 7 0 "[ . 1 . 2 ]" 1
82 1 32 SER QB 1 35 ARG QB 5.000 . 6.000 2.840 2.472 3.327 . 0 0 "[ . 1 . 2 ]" 1
83 1 32 SER QB 1 35 ARG QG 5.000 . 6.000 4.034 3.475 4.815 . 0 0 "[ . 1 . 2 ]" 1
84 1 32 SER H 1 36 TRP HA 5.000 . 6.000 3.046 2.541 3.300 . 0 0 "[ . 1 . 2 ]" 1
85 1 32 SER H 1 36 TRP QB 5.000 . 6.000 3.497 2.061 4.026 . 0 0 "[ . 1 . 2 ]" 1
86 1 32 SER HA 1 36 TRP QB 5.000 . 6.000 5.626 4.652 6.046 0.046 13 0 "[ . 1 . 2 ]" 1
87 1 32 SER QB 1 36 TRP QB 5.000 . 6.000 4.336 3.489 4.744 . 0 0 "[ . 1 . 2 ]" 1
88 1 32 SER QB 1 36 TRP HD1 5.000 . 6.000 5.534 4.429 6.582 0.582 5 2 "[ -+ 1 . 2 ]" 1
89 1 32 SER HA 1 33 ASP QB 5.000 . 6.000 4.302 4.032 4.499 . 0 0 "[ . 1 . 2 ]" 1
90 1 33 ASP QB 1 34 ASN H 5.000 . 6.000 3.632 2.667 4.041 . 0 0 "[ . 1 . 2 ]" 1
91 1 33 ASP H 1 36 TRP QB 5.000 . 6.000 5.795 5.221 6.062 0.062 21 0 "[ . 1 . 2 ]" 1
92 1 33 ASP QB 1 36 TRP QB 5.000 . 6.000 5.920 5.369 6.218 0.218 18 0 "[ . 1 . 2 ]" 1
93 1 33 ASP H 1 64 ASN QD 5.000 . 6.000 6.135 5.674 6.353 0.353 14 0 "[ . 1 . 2 ]" 1
94 1 33 ASP HA 1 70 HIS HA 5.000 . 6.000 5.785 4.424 6.762 0.762 16 1 "[ . 1 .+ 2 ]" 1
95 1 32 SER QB 1 34 ASN H 5.000 . 6.000 2.750 2.471 3.408 . 0 0 "[ . 1 . 2 ]" 1
96 1 33 ASP HA 1 34 ASN H 5.000 . 6.000 3.329 2.929 3.538 . 0 0 "[ . 1 . 2 ]" 1
97 1 34 ASN H 1 35 ARG H 5.000 . 6.000 2.001 1.772 2.258 0.028 13 0 "[ . 1 . 2 ]" 1
98 1 34 ASN HA 1 35 ARG H 5.000 . 6.000 3.482 3.389 3.523 . 0 0 "[ . 1 . 2 ]" 1
99 1 34 ASN HA 1 35 ARG HA 5.000 . 6.000 4.514 4.457 4.624 . 0 0 "[ . 1 . 2 ]" 1
100 1 34 ASN H 1 36 TRP H 5.000 . 6.000 5.488 5.036 5.900 . 0 0 "[ . 1 . 2 ]" 1
101 1 34 ASN QB 1 36 TRP QB 5.000 . 6.000 6.291 6.067 6.484 0.484 2 0 "[ . 1 . 2 ]" 1
102 1 34 ASN HA 1 68 PHE QD 5.000 . 6.000 5.459 3.410 6.440 0.440 17 0 "[ . 1 . 2 ]" 1
103 1 30 VAL QG 1 35 ARG QB 5.000 . 6.000 4.376 3.498 5.115 . 0 0 "[ . 1 . 2 ]" 1
104 1 32 SER H 1 35 ARG H 5.000 . 6.000 4.501 3.998 4.948 . 0 0 "[ . 1 . 2 ]" 1
105 1 32 SER QB 1 35 ARG HA 5.000 . 6.000 4.250 3.974 4.586 . 0 0 "[ . 1 . 2 ]" 1
106 1 33 ASP QB 1 35 ARG H 5.000 . 6.000 5.218 4.585 5.564 . 0 0 "[ . 1 . 2 ]" 1
107 1 34 ASN QB 1 35 ARG H 5.000 . 6.000 2.971 2.602 3.686 . 0 0 "[ . 1 . 2 ]" 1
108 1 35 ARG H 1 36 TRP H 5.000 . 6.000 3.926 3.697 4.115 . 0 0 "[ . 1 . 2 ]" 1
109 1 35 ARG H 1 36 TRP HA 5.000 . 6.000 4.506 4.257 4.650 . 0 0 "[ . 1 . 2 ]" 1
110 1 35 ARG H 1 36 TRP QB 5.000 . 6.000 4.428 4.088 4.539 . 0 0 "[ . 1 . 2 ]" 1
111 1 35 ARG HA 1 36 TRP H 5.000 . 6.000 2.173 2.073 2.245 . 0 0 "[ . 1 . 2 ]" 1
112 1 35 ARG QD 1 36 TRP QB 5.000 . 6.000 6.020 5.542 6.670 0.670 11 1 "[ . 1+ . 2 ]" 1
113 1 32 SER QB 1 36 TRP HA 5.000 . 6.000 3.470 2.774 4.133 . 0 0 "[ . 1 . 2 ]" 1
114 1 34 ASN H 1 36 TRP HA 5.000 . 6.000 5.826 5.025 6.193 0.193 14 0 "[ . 1 . 2 ]" 1
115 1 35 ARG QB 1 36 TRP H 5.000 . 6.000 3.675 3.338 3.923 . 0 0 "[ . 1 . 2 ]" 1
116 1 35 ARG HE 1 36 TRP H 5.000 . 6.000 5.000 4.199 5.799 . 0 0 "[ . 1 . 2 ]" 1
117 1 36 TRP HA 1 37 GLY H 5.000 . 6.000 2.174 2.097 2.249 . 0 0 "[ . 1 . 2 ]" 1
118 1 36 TRP QB 1 37 GLY QA 5.000 . 6.000 4.296 4.049 4.603 . 0 0 "[ . 1 . 2 ]" 1
119 1 36 TRP HA 1 38 ILE MD 5.000 . 6.000 5.927 5.331 6.500 0.500 18 0 "[ . 1 . 2 ]" 1
120 1 36 TRP HA 1 38 ILE QG 5.000 . 6.000 5.931 5.310 6.173 0.173 17 0 "[ . 1 . 2 ]" 1
121 1 36 TRP QB 1 64 ASN QD 5.000 . 6.000 5.570 4.901 5.988 . 0 0 "[ . 1 . 2 ]" 1
122 1 36 TRP QB 1 68 PHE QB 5.000 . 6.000 6.248 6.106 6.500 0.500 16 0 "[ . 1 . 2 ]" 1
123 1 29 ILE HB 1 37 GLY H 5.000 . 6.000 5.156 4.465 5.816 . 0 0 "[ . 1 . 2 ]" 1
124 1 29 ILE HB 1 37 GLY QA 5.000 . 6.000 5.850 5.075 6.580 0.580 8 2 "[ . + 1 . 2-]" 1
125 1 30 VAL QG 1 37 GLY H 5.000 . 6.000 3.022 1.849 3.908 . 0 0 "[ . 1 . 2 ]" 1
126 1 30 VAL QG 1 37 GLY QA 5.000 . 6.000 3.202 2.192 4.182 . 0 0 "[ . 1 . 2 ]" 1
127 1 32 SER QB 1 37 GLY H 5.000 . 6.000 4.981 3.959 5.830 . 0 0 "[ . 1 . 2 ]" 1
128 1 35 ARG HE 1 37 GLY QA 5.000 . 6.000 6.126 5.631 6.389 0.389 15 0 "[ . 1 . 2 ]" 1
129 1 36 TRP QB 1 37 GLY H 5.000 . 6.000 3.704 3.492 3.778 . 0 0 "[ . 1 . 2 ]" 1
130 1 37 GLY QA 1 38 ILE H 5.000 . 6.000 2.120 2.067 2.186 . 0 0 "[ . 1 . 2 ]" 1
131 1 37 GLY QA 1 39 ARG H 5.000 . 6.000 4.917 4.631 5.173 . 0 0 "[ . 1 . 2 ]" 1
132 1 37 GLY QA 1 74 ILE QG 5.000 . 6.000 4.600 3.960 5.581 . 0 0 "[ . 1 . 2 ]" 1
133 1 29 ILE HB 1 38 ILE HA 5.000 . 6.000 4.086 3.532 5.392 . 0 0 "[ . 1 . 2 ]" 1
134 1 37 GLY QA 1 38 ILE QG 5.000 . 6.000 3.484 3.068 3.956 . 0 0 "[ . 1 . 2 ]" 1
135 1 38 ILE HA 1 39 ARG QB 5.000 . 6.000 4.098 3.877 4.472 . 0 0 "[ . 1 . 2 ]" 1
136 1 38 ILE QG 1 39 ARG H 5.000 . 6.000 2.971 2.743 3.246 . 0 0 "[ . 1 . 2 ]" 1
137 1 38 ILE QG 1 59 CYS QB 5.000 . 6.000 6.004 5.246 6.256 0.256 21 0 "[ . 1 . 2 ]" 1
138 1 38 ILE QG 1 62 ALA HA 5.000 . 6.000 5.267 4.086 5.723 . 0 0 "[ . 1 . 2 ]" 1
139 1 38 ILE QG 1 65 ALA MB 5.000 . 6.000 5.539 4.839 6.141 0.141 11 0 "[ . 1 . 2 ]" 1
140 1 38 ILE HB 1 74 ILE MD 5.000 . 6.000 4.248 2.187 5.882 . 0 0 "[ . 1 . 2 ]" 1
141 1 38 ILE QG 1 75 THR H 5.000 . 6.000 3.718 3.414 4.102 . 0 0 "[ . 1 . 2 ]" 1
142 1 38 ILE QG 1 75 THR HA 5.000 . 6.000 5.762 5.399 6.180 0.180 20 0 "[ . 1 . 2 ]" 1
143 1 28 ASP QB 1 39 ARG QB 5.000 . 6.000 3.139 1.951 4.594 . 0 0 "[ . 1 . 2 ]" 1
144 1 29 ILE H 1 39 ARG H 5.000 . 6.000 4.821 4.584 5.132 . 0 0 "[ . 1 . 2 ]" 1
145 1 29 ILE QG 1 39 ARG HA 5.000 . 6.000 5.763 5.247 6.102 0.102 1 0 "[ . 1 . 2 ]" 1
146 1 30 VAL QG 1 39 ARG QB 5.000 . 6.000 3.232 2.648 4.297 . 0 0 "[ . 1 . 2 ]" 1
147 1 30 VAL QG 1 39 ARG QG 5.000 . 6.000 4.627 3.553 5.224 . 0 0 "[ . 1 . 2 ]" 1
148 1 39 ARG H 1 40 HIS H 5.000 . 6.000 4.288 4.133 4.474 . 0 0 "[ . 1 . 2 ]" 1
149 1 39 ARG HA 1 40 HIS H 5.000 . 6.000 2.162 2.066 2.209 . 0 0 "[ . 1 . 2 ]" 1
150 1 39 ARG QB 1 41 ASP HA 5.000 . 6.000 5.383 4.503 6.052 0.052 2 0 "[ . 1 . 2 ]" 1
151 1 39 ARG QG 1 41 ASP QB 5.000 . 6.000 4.278 3.353 5.247 . 0 0 "[ . 1 . 2 ]" 1
152 1 39 ARG QB 1 40 HIS H 5.000 . 6.000 3.803 3.038 3.952 . 0 0 "[ . 1 . 2 ]" 1
153 1 39 ARG QG 1 40 HIS H 5.000 . 6.000 3.129 2.622 3.742 . 0 0 "[ . 1 . 2 ]" 1
154 1 39 ARG QB 1 40 HIS HA 5.000 . 6.000 4.822 4.616 5.209 . 0 0 "[ . 1 . 2 ]" 1
155 1 40 HIS QB 1 74 ILE QG 5.000 . 6.000 5.194 4.325 6.197 0.197 20 0 "[ . 1 . 2 ]" 1
156 1 40 HIS QB 1 76 VAL H 5.000 . 6.000 4.656 4.321 4.910 . 0 0 "[ . 1 . 2 ]" 1
157 1 28 ASP QB 1 41 ASP QB 5.000 . 6.000 2.918 1.930 4.700 . 0 0 "[ . 1 . 2 ]" 1
158 1 39 ARG QH 1 41 ASP HA 5.000 . 6.000 2.545 1.680 5.018 0.120 11 0 "[ . 1 . 2 ]" 1
159 1 39 ARG HE 1 41 ASP QB 5.000 . 6.000 5.185 3.583 6.316 0.316 8 0 "[ . 1 . 2 ]" 1
160 1 40 HIS HA 1 41 ASP H 5.000 . 6.000 2.141 2.070 2.220 . 0 0 "[ . 1 . 2 ]" 1
161 1 40 HIS QB 1 41 ASP H 5.000 . 6.000 3.830 3.667 3.984 . 0 0 "[ . 1 . 2 ]" 1
162 1 40 HIS H 1 41 ASP HA 5.000 . 6.000 5.206 5.060 5.344 . 0 0 "[ . 1 . 2 ]" 1
163 1 41 ASP QB 1 42 ASP H 5.000 . 6.000 3.759 3.179 4.008 . 0 0 "[ . 1 . 2 ]" 1
164 1 40 HIS QB 1 42 ASP HA 5.000 . 6.000 5.293 4.740 6.086 0.086 13 0 "[ . 1 . 2 ]" 1
165 1 40 HIS HA 1 42 ASP QB 5.000 . 6.000 6.160 5.577 6.419 0.419 21 0 "[ . 1 . 2 ]" 1
166 1 41 ASP QB 1 42 ASP QB 5.000 . 6.000 5.314 4.817 5.558 . 0 0 "[ . 1 . 2 ]" 1
167 1 42 ASP QB 1 43 ASP H 5.000 . 6.000 3.476 2.562 3.896 . 0 0 "[ . 1 . 2 ]" 1
168 1 28 ASP QB 1 45 THR HB 5.000 . 6.000 6.045 5.293 6.392 0.392 1 0 "[ . 1 . 2 ]" 1
169 1 45 THR H 1 46 GLY H 5.000 . 6.000 2.239 1.889 2.636 . 0 0 "[ . 1 . 2 ]" 1
170 1 45 THR HA 1 46 GLY H 5.000 . 6.000 3.456 3.361 3.549 . 0 0 "[ . 1 . 2 ]" 1
171 1 45 THR HB 1 46 GLY QA 5.000 . 6.000 4.578 3.990 5.457 . 0 0 "[ . 1 . 2 ]" 1
172 1 45 THR H 1 47 ASP QB 5.000 . 6.000 6.090 5.299 6.516 0.516 9 1 "[ . +1 . 2 ]" 1
173 1 45 THR HA 1 47 ASP QB 5.000 . 6.000 5.596 4.376 6.212 0.212 12 0 "[ . 1 . 2 ]" 1
174 1 45 THR HB 1 46 GLY H 5.000 . 6.000 3.717 2.785 4.112 . 0 0 "[ . 1 . 2 ]" 1
175 1 45 THR HA 1 46 GLY QA 5.000 . 6.000 4.268 4.192 4.444 . 0 0 "[ . 1 . 2 ]" 1
176 1 46 GLY H 1 47 ASP H 5.000 . 6.000 3.329 2.517 4.129 . 0 0 "[ . 1 . 2 ]" 1
177 1 46 GLY H 1 47 ASP QB 5.000 . 6.000 5.085 4.614 5.385 . 0 0 "[ . 1 . 2 ]" 1
178 1 46 GLY QA 1 47 ASP H 5.000 . 6.000 2.571 2.131 2.956 . 0 0 "[ . 1 . 2 ]" 1
179 1 46 GLY QA 1 47 ASP HA 5.000 . 6.000 3.994 3.912 4.151 . 0 0 "[ . 1 . 2 ]" 1
180 1 45 THR H 1 47 ASP H 5.000 . 6.000 4.866 3.983 5.665 . 0 0 "[ . 1 . 2 ]" 1
181 1 46 GLY QA 1 47 ASP QB 5.000 . 6.000 4.308 3.679 4.697 . 0 0 "[ . 1 . 2 ]" 1
182 1 47 ASP H 1 48 TYR HA 5.000 . 6.000 5.353 4.799 5.648 . 0 0 "[ . 1 . 2 ]" 1
183 1 47 ASP H 1 48 TYR QB 5.000 . 6.000 5.083 4.546 6.087 0.087 6 0 "[ . 1 . 2 ]" 1
184 1 47 ASP HA 1 48 TYR H 5.000 . 6.000 2.159 2.052 2.465 . 0 0 "[ . 1 . 2 ]" 1
185 1 47 ASP HA 1 48 TYR QB 5.000 . 6.000 4.282 3.737 4.669 . 0 0 "[ . 1 . 2 ]" 1
186 1 26 TYR QD 1 48 TYR HA 5.000 . 6.000 4.848 4.340 5.473 . 0 0 "[ . 1 . 2 ]" 1
187 1 26 TYR QB 1 48 TYR QB 5.000 . 6.000 3.679 3.070 4.570 . 0 0 "[ . 1 . 2 ]" 1
188 1 27 TYR H 1 48 TYR QB 5.000 . 6.000 5.403 4.291 6.008 0.008 20 0 "[ . 1 . 2 ]" 1
189 1 47 ASP QB 1 48 TYR H 5.000 . 6.000 3.276 2.402 3.888 . 0 0 "[ . 1 . 2 ]" 1
190 1 47 ASP QB 1 49 SER HA 5.000 . 6.000 6.061 5.643 6.601 0.601 14 2 "[- . 1 +. 2 ]" 1
191 1 48 TYR HA 1 49 SER H 5.000 . 6.000 2.227 2.142 2.419 . 0 0 "[ . 1 . 2 ]" 1
192 1 48 TYR QB 1 49 SER H 5.000 . 6.000 3.093 2.612 3.581 . 0 0 "[ . 1 . 2 ]" 1
193 1 49 SER H 1 50 SER H 5.000 . 6.000 2.657 2.471 2.836 . 0 0 "[ . 1 . 2 ]" 1
194 1 49 SER QB 1 50 SER HA 5.000 . 6.000 4.510 4.190 4.867 . 0 0 "[ . 1 . 2 ]" 1
195 1 49 SER QB 1 52 GLU QG 5.000 . 6.000 5.967 5.573 6.202 0.202 9 0 "[ . 1 . 2 ]" 1
196 1 48 TYR H 1 50 SER H 5.000 . 6.000 5.507 5.176 5.776 . 0 0 "[ . 1 . 2 ]" 1
197 1 48 TYR QB 1 50 SER H 5.000 . 6.000 3.136 2.303 3.804 . 0 0 "[ . 1 . 2 ]" 1
198 1 48 TYR QE 1 50 SER QB 5.000 . 6.000 5.203 4.657 6.130 0.130 6 0 "[ . 1 . 2 ]" 1
199 1 49 SER H 1 50 SER HA 5.000 . 6.000 5.124 4.964 5.308 . 0 0 "[ . 1 . 2 ]" 1
200 1 50 SER H 1 51 LYS HA 5.000 . 6.000 4.734 4.484 4.915 . 0 0 "[ . 1 . 2 ]" 1
201 1 50 SER HA 1 51 LYS H 5.000 . 6.000 2.281 2.204 2.624 . 0 0 "[ . 1 . 2 ]" 1
202 1 50 SER QB 1 51 LYS QB 5.000 . 6.000 4.486 3.553 4.999 . 0 0 "[ . 1 . 2 ]" 1
203 1 50 SER H 1 53 ALA MB 5.000 . 6.000 3.079 2.508 3.507 . 0 0 "[ . 1 . 2 ]" 1
204 1 26 TYR QD 1 51 LYS QG 5.000 . 6.000 5.622 4.700 6.060 0.060 17 0 "[ . 1 . 2 ]" 1
205 1 48 TYR QD 1 51 LYS HA 5.000 . 6.000 3.780 2.430 5.076 . 0 0 "[ . 1 . 2 ]" 1
206 1 48 TYR QE 1 51 LYS QG 5.000 . 6.000 5.312 2.681 6.448 0.448 6 0 "[ . 1 . 2 ]" 1
207 1 50 SER HA 1 51 LYS QB 5.000 . 6.000 4.165 4.038 4.677 . 0 0 "[ . 1 . 2 ]" 1
208 1 51 LYS HA 1 51 LYS QE 5.000 . 6.000 4.588 3.943 5.066 . 0 0 "[ . 1 . 2 ]" 1
209 1 51 LYS H 1 52 GLU H 5.000 . 6.000 2.642 2.513 2.765 . 0 0 "[ . 1 . 2 ]" 1
210 1 51 LYS HA 1 54 ALA MB 5.000 . 6.000 3.051 2.544 3.477 . 0 0 "[ . 1 . 2 ]" 1
211 1 51 LYS HA 1 55 PHE HZ 5.000 . 6.000 6.191 6.101 6.292 0.292 14 0 "[ . 1 . 2 ]" 1
212 1 51 LYS QD 1 55 PHE H 5.000 . 6.000 6.076 5.576 6.298 0.298 10 0 "[ . 1 . 2 ]" 1
213 1 51 LYS QE 1 55 PHE QD 5.000 . 6.000 4.051 3.255 5.515 . 0 0 "[ . 1 . 2 ]" 1
214 1 51 LYS QE 1 55 PHE QE 5.000 . 6.000 3.102 1.972 4.500 . 0 0 "[ . 1 . 2 ]" 1
215 1 51 LYS QG 1 55 PHE H 5.000 . 6.000 4.226 3.984 4.711 . 0 0 "[ . 1 . 2 ]" 1
216 1 51 LYS QG 1 55 PHE QB 5.000 . 6.000 4.198 3.451 5.146 . 0 0 "[ . 1 . 2 ]" 1
217 1 51 LYS QG 1 55 PHE QD 5.000 . 6.000 2.399 1.911 3.196 . 0 0 "[ . 1 . 2 ]" 1
218 1 51 LYS H 1 52 GLU QG 5.000 . 6.000 4.089 3.908 4.408 . 0 0 "[ . 1 . 2 ]" 1
219 1 52 GLU QB 1 53 ALA HA 5.000 . 6.000 4.368 3.814 4.483 . 0 0 "[ . 1 . 2 ]" 1
220 1 52 GLU HA 1 55 PHE H 5.000 . 6.000 3.471 3.284 3.894 . 0 0 "[ . 1 . 2 ]" 1
221 1 52 GLU HA 1 55 PHE QB 5.000 . 6.000 2.879 2.571 3.316 . 0 0 "[ . 1 . 2 ]" 1
222 1 52 GLU HA 1 56 GLU QG 5.000 . 6.000 5.960 5.330 6.199 0.199 13 0 "[ . 1 . 2 ]" 1
223 1 52 GLU QB 1 56 GLU HA 5.000 . 6.000 5.454 5.283 5.815 . 0 0 "[ . 1 . 2 ]" 1
224 1 52 GLU QB 1 56 GLU QG 5.000 . 6.000 5.088 4.579 5.249 . 0 0 "[ . 1 . 2 ]" 1
225 1 52 GLU QG 1 56 GLU HA 5.000 . 6.000 6.270 6.134 6.400 0.400 19 0 "[ . 1 . 2 ]" 1
226 1 52 GLU QG 1 56 GLU QG 5.000 . 6.000 5.373 4.830 5.722 . 0 0 "[ . 1 . 2 ]" 1
227 1 52 GLU QB 1 57 ALA H 5.000 . 6.000 6.116 5.618 6.309 0.309 2 0 "[ . 1 . 2 ]" 1
228 1 48 TYR QB 1 53 ALA MB 5.000 . 6.000 4.737 3.828 5.746 . 0 0 "[ . 1 . 2 ]" 1
229 1 49 SER HA 1 53 ALA MB 5.000 . 6.000 5.505 4.568 6.156 0.156 6 0 "[ . 1 . 2 ]" 1
230 1 52 GLU H 1 53 ALA H 5.000 . 6.000 2.622 2.546 2.822 . 0 0 "[ . 1 . 2 ]" 1
231 1 52 GLU QB 1 53 ALA H 5.000 . 6.000 3.440 2.467 3.558 . 0 0 "[ . 1 . 2 ]" 1
232 1 52 GLU H 1 53 ALA MB 5.000 . 6.000 4.329 4.244 4.535 . 0 0 "[ . 1 . 2 ]" 1
233 1 52 GLU QB 1 53 ALA MB 5.000 . 6.000 4.602 3.767 4.714 . 0 0 "[ . 1 . 2 ]" 1
234 1 53 ALA H 1 54 ALA H 5.000 . 6.000 2.629 2.582 2.709 . 0 0 "[ . 1 . 2 ]" 1
235 1 53 ALA MB 1 54 ALA MB 5.000 . 6.000 3.700 3.569 3.837 . 0 0 "[ . 1 . 2 ]" 1
236 1 53 ALA HA 1 56 GLU QB 5.000 . 6.000 2.713 2.114 3.362 . 0 0 "[ . 1 . 2 ]" 1
237 1 53 ALA HA 1 57 ALA H 5.000 . 5.500 3.584 3.415 3.844 . 0 0 "[ . 1 . 2 ]" 1
238 1 53 ALA HA 1 57 ALA MB 5.000 . 6.000 4.000 3.584 4.282 . 0 0 "[ . 1 . 2 ]" 1
239 1 53 ALA MB 1 57 ALA HA 5.000 . 6.000 6.114 5.930 6.290 0.290 17 0 "[ . 1 . 2 ]" 1
240 1 29 ILE QG 1 54 ALA HA 5.000 . 6.000 4.311 3.428 5.152 . 0 0 "[ . 1 . 2 ]" 1
241 1 48 TYR QB 1 54 ALA H 5.000 . 6.000 5.101 4.217 6.019 0.019 9 0 "[ . 1 . 2 ]" 1
242 1 48 TYR QB 1 54 ALA MB 5.000 . 6.000 3.682 2.985 4.659 . 0 0 "[ . 1 . 2 ]" 1
243 1 50 SER QB 1 54 ALA MB 5.000 . 6.000 5.323 4.893 5.823 . 0 0 "[ . 1 . 2 ]" 1
244 1 53 ALA HA 1 54 ALA H 5.000 . 6.000 3.506 3.484 3.538 . 0 0 "[ . 1 . 2 ]" 1
245 1 53 ALA MB 1 54 ALA H 5.000 . 6.000 2.590 2.415 2.732 . 0 0 "[ . 1 . 2 ]" 1
246 1 54 ALA H 1 55 PHE H 5.000 . 6.000 2.699 2.639 2.749 . 0 0 "[ . 1 . 2 ]" 1
247 1 54 ALA H 1 55 PHE QB 5.000 . 6.000 4.640 4.497 4.713 . 0 0 "[ . 1 . 2 ]" 1
248 1 54 ALA MB 1 56 GLU H 5.000 . 6.000 4.473 4.358 4.590 . 0 0 "[ . 1 . 2 ]" 1
249 1 54 ALA HA 1 57 ALA H 5.000 . 6.000 4.063 3.828 4.354 . 0 0 "[ . 1 . 2 ]" 1
250 1 54 ALA H 1 58 ALA MB 5.000 . 6.000 5.713 5.649 5.770 . 0 0 "[ . 1 . 2 ]" 1
251 1 54 ALA MB 1 58 ALA HA 5.000 . 6.000 6.001 5.873 6.088 0.088 8 0 "[ . 1 . 2 ]" 1
252 1 51 LYS QG 1 55 PHE HA 5.000 . 6.000 5.928 5.562 6.318 0.318 19 0 "[ . 1 . 2 ]" 1
253 1 51 LYS QZ 1 55 PHE QB 5.000 . 6.000 5.820 4.955 6.402 0.402 5 0 "[ . 1 . 2 ]" 1
254 1 51 LYS QD 1 55 PHE QB 5.000 . 6.000 5.509 4.622 6.077 0.077 13 0 "[ . 1 . 2 ]" 1
255 1 52 GLU H 1 55 PHE QB 5.000 . 6.000 5.199 4.790 5.471 . 0 0 "[ . 1 . 2 ]" 1
256 1 53 ALA H 1 55 PHE H 5.000 . 6.000 4.398 4.252 4.538 . 0 0 "[ . 1 . 2 ]" 1
257 1 54 ALA HA 1 55 PHE H 5.000 . 6.000 3.578 3.549 3.598 . 0 0 "[ . 1 . 2 ]" 1
258 1 55 PHE H 1 55 PHE HZ 5.000 . 6.000 5.898 5.668 6.086 0.086 15 0 "[ . 1 . 2 ]" 1
259 1 55 PHE HA 1 55 PHE HZ 5.000 . 6.000 5.791 5.705 5.909 . 0 0 "[ . 1 . 2 ]" 1
260 1 55 PHE H 1 56 GLU QB 5.000 . 6.000 4.454 4.191 4.597 . 0 0 "[ . 1 . 2 ]" 1
261 1 55 PHE QB 1 56 GLU H 5.000 . 6.000 2.628 2.516 2.717 . 0 0 "[ . 1 . 2 ]" 1
262 1 55 PHE H 1 58 ALA MB 5.000 . 6.000 4.404 4.174 4.620 . 0 0 "[ . 1 . 2 ]" 1
263 1 52 GLU H 1 56 GLU QB 5.000 . 5.500 5.688 5.443 5.782 0.282 4 0 "[ . 1 . 2 ]" 1
264 1 52 GLU QG 1 56 GLU QB 5.000 . 6.000 3.778 3.611 4.316 . 0 0 "[ . 1 . 2 ]" 1
265 1 53 ALA HA 1 56 GLU H 5.000 . 6.000 3.804 3.500 4.169 . 0 0 "[ . 1 . 2 ]" 1
266 1 53 ALA HA 1 56 GLU HA 5.000 . 6.000 5.576 5.014 6.095 0.095 8 0 "[ . 1 . 2 ]" 1
267 1 53 ALA MB 1 56 GLU QB 5.000 . 6.000 4.131 3.595 4.673 . 0 0 "[ . 1 . 2 ]" 1
268 1 56 GLU H 1 57 ALA H 5.000 . 6.000 2.805 2.740 2.853 . 0 0 "[ . 1 . 2 ]" 1
269 1 56 GLU HA 1 57 ALA H 5.000 . 6.000 3.550 3.534 3.565 . 0 0 "[ . 1 . 2 ]" 1
270 1 56 GLU QB 1 57 ALA H 5.000 . 6.000 2.307 2.129 2.483 . 0 0 "[ . 1 . 2 ]" 1
271 1 56 GLU QB 1 57 ALA MB 5.000 . 6.000 3.664 3.536 3.793 . 0 0 "[ . 1 . 2 ]" 1
272 1 56 GLU QG 1 57 ALA H 5.000 . 6.000 3.375 3.199 3.606 . 0 0 "[ . 1 . 2 ]" 1
273 1 56 GLU H 1 59 CYS QB 5.000 . 6.000 5.720 5.384 5.933 . 0 0 "[ . 1 . 2 ]" 1
274 1 56 GLU QG 1 59 CYS QB 5.000 . 6.000 5.595 4.646 6.046 0.046 20 0 "[ . 1 . 2 ]" 1
275 1 56 GLU HA 1 60 ALA H 5.000 . 6.000 4.139 4.005 4.287 . 0 0 "[ . 1 . 2 ]" 1
276 1 56 GLU QB 1 60 ALA H 5.000 . 6.000 5.348 5.221 5.453 . 0 0 "[ . 1 . 2 ]" 1
277 1 56 GLU QG 1 60 ALA H 5.000 . 6.000 4.479 4.279 4.694 . 0 0 "[ . 1 . 2 ]" 1
278 1 56 GLU QG 1 61 ALA H 5.000 . 6.000 6.147 5.980 6.293 0.293 13 0 "[ . 1 . 2 ]" 1
279 1 53 ALA H 1 57 ALA H 5.000 . 6.000 5.689 5.538 5.794 . 0 0 "[ . 1 . 2 ]" 1
280 1 55 PHE QB 1 57 ALA H 5.000 . 6.000 4.913 4.845 4.958 . 0 0 "[ . 1 . 2 ]" 1
281 1 55 PHE QB 1 57 ALA MB 5.000 . 6.000 5.865 5.753 5.960 . 0 0 "[ . 1 . 2 ]" 1
282 1 57 ALA H 1 58 ALA H 5.000 . 6.000 2.642 2.597 2.698 . 0 0 "[ . 1 . 2 ]" 1
283 1 57 ALA MB 1 58 ALA H 5.000 . 6.000 2.543 2.421 2.601 . 0 0 "[ . 1 . 2 ]" 1
284 1 57 ALA MB 1 58 ALA HA 5.000 . 6.000 3.771 3.713 3.811 . 0 0 "[ . 1 . 2 ]" 1
285 1 57 ALA HA 1 59 CYS H 5.000 . 6.000 4.676 4.623 4.776 . 0 0 "[ . 1 . 2 ]" 1
286 1 57 ALA MB 1 59 CYS HG 5.000 . 6.000 5.375 5.046 6.110 0.110 21 0 "[ . 1 . 2 ]" 1
287 1 57 ALA HA 1 60 ALA MB 5.000 . 6.000 2.414 2.283 2.580 . 0 0 "[ . 1 . 2 ]" 1
288 1 57 ALA MB 1 60 ALA HA 5.000 . 6.000 6.272 6.165 6.368 0.368 5 0 "[ . 1 . 2 ]" 1
289 1 53 ALA MB 1 58 ALA MB 5.000 . 6.000 6.281 6.173 6.351 0.351 2 0 "[ . 1 . 2 ]" 1
290 1 57 ALA HA 1 58 ALA H 5.000 . 6.000 3.535 3.515 3.557 . 0 0 "[ . 1 . 2 ]" 1
291 1 58 ALA H 1 59 CYS HG 5.000 . 6.000 4.216 3.928 4.450 . 0 0 "[ . 1 . 2 ]" 1
292 1 58 ALA HA 1 59 CYS HG 5.000 . 6.000 5.685 5.399 6.009 0.009 13 0 "[ . 1 . 2 ]" 1
293 1 38 ILE QG 1 59 CYS HA 5.000 . 6.000 5.493 4.661 5.838 . 0 0 "[ . 1 . 2 ]" 1
294 1 55 PHE QD 1 59 CYS HA 5.000 . 6.000 6.325 6.165 6.463 0.463 3 0 "[ . 1 . 2 ]" 1
295 1 56 GLU QG 1 59 CYS H 5.000 . 6.000 5.347 5.119 5.492 . 0 0 "[ . 1 . 2 ]" 1
296 1 57 ALA H 1 59 CYS H 5.000 . 6.000 4.408 4.346 4.501 . 0 0 "[ . 1 . 2 ]" 1
297 1 58 ALA MB 1 59 CYS H 5.000 . 6.000 2.397 2.281 2.536 . 0 0 "[ . 1 . 2 ]" 1
298 1 58 ALA HA 1 59 CYS QB 5.000 . 6.000 5.493 5.431 5.536 . 0 0 "[ . 1 . 2 ]" 1
299 1 59 CYS H 1 60 ALA HA 5.000 . 6.000 5.223 5.187 5.244 . 0 0 "[ . 1 . 2 ]" 1
300 1 59 CYS QB 1 60 ALA H 5.000 . 6.000 3.414 2.647 3.539 . 0 0 "[ . 1 . 2 ]" 1
301 1 59 CYS QB 1 60 ALA HA 5.000 . 6.000 4.366 3.941 4.567 . 0 0 "[ . 1 . 2 ]" 1
302 1 59 CYS QB 1 61 ALA H 5.000 . 6.000 5.254 4.842 5.372 . 0 0 "[ . 1 . 2 ]" 1
303 1 59 CYS QB 1 62 ALA MB 5.000 . 6.000 3.628 3.348 4.116 . 0 0 "[ . 1 . 2 ]" 1
304 1 59 CYS HA 1 63 SER HA 5.000 . 6.000 6.083 5.979 6.197 0.197 21 0 "[ . 1 . 2 ]" 1
305 1 59 CYS QB 1 63 SER H 5.000 . 6.000 4.668 4.485 4.827 . 0 0 "[ . 1 . 2 ]" 1
306 1 59 CYS QB 1 63 SER QB 5.000 . 6.000 5.178 4.333 5.597 . 0 0 "[ . 1 . 2 ]" 1
307 1 56 GLU H 1 60 ALA H 5.000 . 6.000 5.896 5.755 6.010 0.010 17 0 "[ . 1 . 2 ]" 1
308 1 56 GLU QB 1 60 ALA MB 5.000 . 6.000 4.741 4.601 4.901 . 0 0 "[ . 1 . 2 ]" 1
309 1 57 ALA HA 1 60 ALA H 5.000 . 6.000 3.514 3.399 3.658 . 0 0 "[ . 1 . 2 ]" 1
310 1 57 ALA MB 1 60 ALA H 5.000 . 6.000 4.599 4.525 4.651 . 0 0 "[ . 1 . 2 ]" 1
311 1 57 ALA HA 1 60 ALA HA 5.000 . 6.000 5.250 5.097 5.408 . 0 0 "[ . 1 . 2 ]" 1
312 1 58 ALA HA 1 60 ALA H 5.000 . 6.000 4.436 4.354 4.512 . 0 0 "[ . 1 . 2 ]" 1
313 1 59 CYS H 1 60 ALA H 5.000 . 6.000 2.614 2.575 2.643 . 0 0 "[ . 1 . 2 ]" 1
314 1 59 CYS HA 1 60 ALA HA 5.000 . 6.000 4.833 4.804 4.855 . 0 0 "[ . 1 . 2 ]" 1
315 1 60 ALA H 1 62 ALA H 5.000 . 6.000 3.935 3.812 4.099 . 0 0 "[ . 1 . 2 ]" 1
316 1 60 ALA H 1 63 SER H 5.000 . 6.000 4.725 4.624 4.859 . 0 0 "[ . 1 . 2 ]" 1
317 1 38 ILE QG 1 61 ALA MB 5.000 . 6.000 5.251 3.930 5.895 . 0 0 "[ . 1 . 2 ]" 1
318 1 57 ALA MB 1 61 ALA H 5.000 . 6.000 4.297 4.179 4.413 . 0 0 "[ . 1 . 2 ]" 1
319 1 58 ALA HA 1 61 ALA H 5.000 . 6.000 3.653 3.396 3.810 . 0 0 "[ . 1 . 2 ]" 1
320 1 58 ALA HA 1 61 ALA MB 5.000 . 6.000 2.876 2.542 3.096 . 0 0 "[ . 1 . 2 ]" 1
321 1 59 CYS H 1 61 ALA H 5.000 . 6.000 4.288 4.123 4.373 . 0 0 "[ . 1 . 2 ]" 1
322 1 60 ALA HA 1 61 ALA H 5.000 . 6.000 3.529 3.505 3.548 . 0 0 "[ . 1 . 2 ]" 1
323 1 61 ALA H 1 62 ALA H 5.000 . 6.000 2.643 2.582 2.736 . 0 0 "[ . 1 . 2 ]" 1
324 1 61 ALA MB 1 62 ALA H 5.000 . 6.000 2.604 2.482 2.659 . 0 0 "[ . 1 . 2 ]" 1
325 1 61 ALA H 1 63 SER H 5.000 . 6.000 4.225 4.098 4.424 . 0 0 "[ . 1 . 2 ]" 1
326 1 61 ALA HA 1 65 ALA MB 5.000 . 6.000 4.582 4.316 4.808 . 0 0 "[ . 1 . 2 ]" 1
327 1 61 ALA MB 1 65 ALA MB 5.000 . 6.000 3.866 3.582 4.050 . 0 0 "[ . 1 . 2 ]" 1
328 1 36 TRP HD1 1 62 ALA MB 5.000 . 6.000 5.590 4.142 6.279 0.279 14 0 "[ . 1 . 2 ]" 1
329 1 59 CYS H 1 62 ALA MB 5.000 . 6.000 4.451 4.254 4.707 . 0 0 "[ . 1 . 2 ]" 1
330 1 61 ALA HA 1 62 ALA HA 5.000 . 6.000 4.791 4.702 4.838 . 0 0 "[ . 1 . 2 ]" 1
331 1 62 ALA H 1 63 SER H 5.000 . 6.000 2.705 2.639 2.828 . 0 0 "[ . 1 . 2 ]" 1
332 1 62 ALA H 1 63 SER QB 5.000 . 6.000 4.860 4.495 5.264 . 0 0 "[ . 1 . 2 ]" 1
333 1 62 ALA MB 1 63 SER H 5.000 . 6.000 2.555 2.468 2.683 . 0 0 "[ . 1 . 2 ]" 1
334 1 62 ALA MB 1 64 ASN QB 5.000 . 6.000 5.424 5.192 5.596 . 0 0 "[ . 1 . 2 ]" 1
335 1 62 ALA HA 1 65 ALA MB 5.000 . 6.000 2.354 2.028 2.583 . 0 0 "[ . 1 . 2 ]" 1
336 1 62 ALA HA 1 67 LYS H 5.000 . 6.000 6.109 6.019 6.250 0.250 7 0 "[ . 1 . 2 ]" 1
337 1 59 CYS QB 1 63 SER HA 5.000 . 6.000 6.135 6.037 6.226 0.226 20 0 "[ . 1 . 2 ]" 1
338 1 61 ALA MB 1 63 SER H 5.000 . 6.000 4.586 4.478 4.731 . 0 0 "[ . 1 . 2 ]" 1
339 1 63 SER QB 1 64 ASN QB 5.000 . 6.000 4.065 3.719 4.778 . 0 0 "[ . 1 . 2 ]" 1
340 1 63 SER HA 1 67 LYS H 5.000 . 6.000 3.973 3.678 4.206 . 0 0 "[ . 1 . 2 ]" 1
341 1 63 SER QB 1 67 LYS HA 5.000 . 6.000 6.190 5.954 6.451 0.451 16 0 "[ . 1 . 2 ]" 1
342 1 63 SER QB 1 67 LYS QE 5.000 . 6.000 4.800 3.470 6.152 0.152 5 0 "[ . 1 . 2 ]" 1
343 1 60 ALA MB 1 64 ASN H 5.000 . 6.000 4.882 4.638 5.149 . 0 0 "[ . 1 . 2 ]" 1
344 1 60 ALA HA 1 64 ASN QB 5.000 . 6.000 5.224 4.708 5.554 . 0 0 "[ . 1 . 2 ]" 1
345 1 63 SER HA 1 64 ASN QB 5.000 . 6.000 5.216 5.164 5.240 . 0 0 "[ . 1 . 2 ]" 1
346 1 64 ASN HA 1 65 ALA MB 5.000 . 6.000 5.009 4.989 5.028 . 0 0 "[ . 1 . 2 ]" 1
347 1 64 ASN QB 1 65 ALA H 5.000 . 6.000 2.526 2.410 2.756 . 0 0 "[ . 1 . 2 ]" 1
348 1 64 ASN HA 1 67 LYS H 5.000 . 6.000 3.686 3.512 3.937 . 0 0 "[ . 1 . 2 ]" 1
349 1 64 ASN HA 1 67 LYS QB 5.000 . 6.000 2.612 2.216 3.002 . 0 0 "[ . 1 . 2 ]" 1
350 1 64 ASN HA 1 67 LYS QZ 5.000 . 6.000 4.263 3.469 5.455 . 0 0 "[ . 1 . 2 ]" 1
351 1 64 ASN QB 1 67 LYS H 5.000 . 6.000 5.114 4.957 5.274 . 0 0 "[ . 1 . 2 ]" 1
352 1 64 ASN QB 1 67 LYS QZ 5.000 . 6.000 5.055 3.938 6.383 0.383 20 0 "[ . 1 . 2 ]" 1
353 1 36 TRP QB 1 65 ALA H 5.000 . 6.000 5.018 4.344 5.800 . 0 0 "[ . 1 . 2 ]" 1
354 1 36 TRP QB 1 65 ALA MB 5.000 . 6.000 2.380 2.062 2.923 . 0 0 "[ . 1 . 2 ]" 1
355 1 61 ALA HA 1 65 ALA H 5.000 . 6.000 4.023 3.879 4.107 . 0 0 "[ . 1 . 2 ]" 1
356 1 61 ALA HA 1 65 ALA HA 5.000 . 6.000 6.106 5.894 6.239 0.239 17 0 "[ . 1 . 2 ]" 1
357 1 62 ALA HA 1 65 ALA H 5.000 . 6.000 3.286 3.054 3.547 . 0 0 "[ . 1 . 2 ]" 1
358 1 62 ALA MB 1 65 ALA H 5.000 . 6.000 4.491 4.320 4.659 . 0 0 "[ . 1 . 2 ]" 1
359 1 64 ASN QD 1 65 ALA H 5.000 . 6.000 3.724 3.006 4.382 . 0 0 "[ . 1 . 2 ]" 1
360 1 64 ASN H 1 65 ALA MB 5.000 . 6.000 4.289 4.206 4.388 . 0 0 "[ . 1 . 2 ]" 1
361 1 65 ALA H 1 66 ILE H 5.000 . 6.000 2.809 2.742 2.895 . 0 0 "[ . 1 . 2 ]" 1
362 1 65 ALA MB 1 66 ILE H 5.000 . 6.000 2.352 2.291 2.478 . 0 0 "[ . 1 . 2 ]" 1
363 1 65 ALA HA 1 68 PHE QB 5.000 . 6.000 3.351 2.690 3.807 . 0 0 "[ . 1 . 2 ]" 1
364 1 65 ALA MB 1 68 PHE H 5.000 . 6.000 4.702 4.396 4.842 . 0 0 "[ . 1 . 2 ]" 1
365 1 65 ALA MB 1 69 GLY QA 5.000 . 6.000 5.583 5.426 5.832 . 0 0 "[ . 1 . 2 ]" 1
366 1 65 ALA MB 1 72 VAL HB 5.000 . 6.000 4.510 2.796 5.990 . 0 0 "[ . 1 . 2 ]" 1
367 1 62 ALA HA 1 66 ILE H 5.000 . 6.000 3.796 3.592 4.099 . 0 0 "[ . 1 . 2 ]" 1
368 1 66 ILE H 1 67 LYS H 5.000 . 6.000 2.593 2.487 2.692 . 0 0 "[ . 1 . 2 ]" 1
369 1 66 ILE HA 1 67 LYS H 5.000 . 6.000 3.505 3.453 3.551 . 0 0 "[ . 1 . 2 ]" 1
370 1 66 ILE H 1 69 GLY QA 5.000 . 6.000 5.943 5.805 6.057 0.057 9 0 "[ . 1 . 2 ]" 1
371 1 66 ILE HB 1 70 HIS QB 5.000 . 6.000 5.919 5.458 6.225 0.225 13 0 "[ . 1 . 2 ]" 1
372 1 66 ILE H 1 72 VAL QG 5.000 . 6.000 4.461 2.970 6.091 0.091 19 0 "[ . 1 . 2 ]" 1
373 1 63 SER QB 1 67 LYS H 5.000 . 6.000 4.778 4.683 4.948 . 0 0 "[ . 1 . 2 ]" 1
374 1 63 SER QB 1 67 LYS QB 5.000 . 6.000 4.164 3.928 4.898 . 0 0 "[ . 1 . 2 ]" 1
375 1 65 ALA HA 1 67 LYS H 5.000 . 6.000 4.504 4.254 4.673 . 0 0 "[ . 1 . 2 ]" 1
376 1 66 ILE QG 1 67 LYS H 5.000 . 6.000 2.690 2.130 3.339 . 0 0 "[ . 1 . 2 ]" 1
377 1 66 ILE HA 1 67 LYS QB 5.000 . 6.000 5.198 5.071 5.426 . 0 0 "[ . 1 . 2 ]" 1
378 1 67 LYS HA 1 68 PHE H 5.000 . 6.000 3.527 3.475 3.566 . 0 0 "[ . 1 . 2 ]" 1
379 1 65 ALA HA 1 68 PHE H 5.000 . 6.000 3.726 3.329 3.871 . 0 0 "[ . 1 . 2 ]" 1
380 1 66 ILE H 1 68 PHE H 5.000 . 6.000 4.175 3.918 4.384 . 0 0 "[ . 1 . 2 ]" 1
381 1 66 ILE H 1 68 PHE QB 5.000 . 6.000 5.328 4.881 5.683 . 0 0 "[ . 1 . 2 ]" 1
382 1 67 LYS QB 1 68 PHE H 5.000 . 6.000 2.621 2.419 2.764 . 0 0 "[ . 1 . 2 ]" 1
383 1 67 LYS QG 1 68 PHE H 5.000 . 6.000 3.815 3.541 4.265 . 0 0 "[ . 1 . 2 ]" 1
384 1 67 LYS HA 1 68 PHE HA 5.000 . 6.000 4.657 4.578 4.746 . 0 0 "[ . 1 . 2 ]" 1
385 1 67 LYS QG 1 68 PHE HA 5.000 . 6.000 4.016 3.453 5.733 . 0 0 "[ . 1 . 2 ]" 1
386 1 67 LYS QE 1 68 PHE QB 5.000 . 6.000 5.323 3.627 6.140 0.140 3 0 "[ . 1 . 2 ]" 1
387 1 68 PHE H 1 69 GLY H 5.000 . 6.000 2.463 2.395 2.540 . 0 0 "[ . 1 . 2 ]" 1
388 1 68 PHE H 1 69 GLY QA 5.000 . 6.000 4.396 4.344 4.454 . 0 0 "[ . 1 . 2 ]" 1
389 1 68 PHE HA 1 69 GLY H 5.000 . 6.000 3.324 3.265 3.417 . 0 0 "[ . 1 . 2 ]" 1
390 1 68 PHE HA 1 69 GLY QA 5.000 . 6.000 4.198 4.131 4.253 . 0 0 "[ . 1 . 2 ]" 1
391 1 68 PHE QB 1 69 GLY H 5.000 . 6.000 3.326 3.122 3.431 . 0 0 "[ . 1 . 2 ]" 1
392 1 68 PHE HA 1 70 HIS QB 5.000 . 6.000 6.100 5.657 6.444 0.444 18 0 "[ . 1 . 2 ]" 1
393 1 68 PHE QB 1 70 HIS H 5.000 . 6.000 3.073 2.808 3.495 . 0 0 "[ . 1 . 2 ]" 1
394 1 65 ALA HA 1 69 GLY H 5.000 . 6.000 4.762 4.497 5.014 . 0 0 "[ . 1 . 2 ]" 1
395 1 65 ALA HA 1 69 GLY QA 5.000 . 6.000 5.831 5.534 6.170 0.170 11 0 "[ . 1 . 2 ]" 1
396 1 66 ILE HA 1 69 GLY H 5.000 . 6.000 3.347 3.061 3.529 . 0 0 "[ . 1 . 2 ]" 1
397 1 66 ILE HA 1 69 GLY QA 5.000 . 6.000 3.747 3.517 3.955 . 0 0 "[ . 1 . 2 ]" 1
398 1 67 LYS HA 1 69 GLY H 5.000 . 6.000 3.991 3.770 4.282 . 0 0 "[ . 1 . 2 ]" 1
399 1 67 LYS HA 1 69 GLY QA 5.000 . 6.000 5.270 4.937 5.631 . 0 0 "[ . 1 . 2 ]" 1
400 1 69 GLY H 1 70 HIS QB 5.000 . 6.000 4.313 4.095 4.453 . 0 0 "[ . 1 . 2 ]" 1
401 1 69 GLY QA 1 70 HIS H 5.000 . 6.000 2.812 2.705 2.873 . 0 0 "[ . 1 . 2 ]" 1
402 1 69 GLY QA 1 71 GLU QB 5.000 . 6.000 6.117 5.900 6.219 0.219 7 0 "[ . 1 . 2 ]" 1
403 1 36 TRP QB 1 70 HIS H 5.000 . 6.000 5.611 5.151 6.091 0.091 16 0 "[ . 1 . 2 ]" 1
404 1 65 ALA MB 1 70 HIS H 5.000 . 6.000 3.945 3.774 4.083 . 0 0 "[ . 1 . 2 ]" 1
405 1 66 ILE HA 1 70 HIS HA 5.000 . 6.000 5.957 5.173 6.220 0.220 21 0 "[ . 1 . 2 ]" 1
406 1 68 PHE H 1 70 HIS H 5.000 . 6.000 3.533 3.380 3.752 . 0 0 "[ . 1 . 2 ]" 1
407 1 69 GLY QA 1 70 HIS HA 5.000 . 6.000 4.153 4.111 4.240 . 0 0 "[ . 1 . 2 ]" 1
408 1 70 HIS HA 1 71 GLU H 5.000 . 6.000 2.241 2.190 2.289 . 0 0 "[ . 1 . 2 ]" 1
409 1 70 HIS HA 1 71 GLU HA 5.000 . 6.000 4.358 4.286 4.425 . 0 0 "[ . 1 . 2 ]" 1
410 1 36 TRP H 1 71 GLU H 5.000 . 6.000 4.088 3.614 4.714 . 0 0 "[ . 1 . 2 ]" 1
411 1 70 HIS QB 1 71 GLU H 5.000 . 6.000 3.046 2.835 3.286 . 0 0 "[ . 1 . 2 ]" 1
412 1 70 HIS HA 1 71 GLU QG 5.000 . 6.000 5.653 4.130 5.858 . 0 0 "[ . 1 . 2 ]" 1
413 1 71 GLU HA 1 72 VAL H 5.000 . 6.000 2.155 2.098 2.241 . 0 0 "[ . 1 . 2 ]" 1
414 1 71 GLU QG 1 72 VAL H 5.000 . 6.000 2.815 2.199 4.067 . 0 0 "[ . 1 . 2 ]" 1
415 1 71 GLU HA 1 73 ARG H 5.000 . 6.000 5.899 5.521 6.112 0.112 15 0 "[ . 1 . 2 ]" 1
416 1 71 GLU QB 1 73 ARG QB 5.000 . 6.000 5.146 4.438 5.889 . 0 0 "[ . 1 . 2 ]" 1
417 1 71 GLU QG 1 73 ARG QD 5.000 . 6.000 4.063 3.320 6.140 0.140 7 0 "[ . 1 . 2 ]" 1
418 1 71 GLU QG 1 73 ARG QG 5.000 . 6.000 4.372 2.249 5.973 . 0 0 "[ . 1 . 2 ]" 1
419 1 71 GLU QB 1 72 VAL H 5.000 . 6.000 3.636 3.027 3.898 . 0 0 "[ . 1 . 2 ]" 1
420 1 72 VAL HA 1 73 ARG H 5.000 . 6.000 2.125 2.094 2.170 . 0 0 "[ . 1 . 2 ]" 1
421 1 36 TRP HA 1 73 ARG QB 5.000 . 6.000 5.501 5.122 6.126 0.126 16 0 "[ . 1 . 2 ]" 1
422 1 72 VAL HB 1 73 ARG H 5.000 . 6.000 4.096 3.241 4.325 . 0 0 "[ . 1 . 2 ]" 1
423 1 72 VAL H 1 73 ARG HA 5.000 . 6.000 4.996 4.800 5.231 . 0 0 "[ . 1 . 2 ]" 1
424 1 72 VAL HB 1 73 ARG HA 5.000 . 6.000 5.248 4.404 5.873 . 0 0 "[ . 1 . 2 ]" 1
425 1 73 ARG QB 1 73 ARG QH 5.000 . 6.000 3.289 2.110 4.204 . 0 0 "[ . 1 . 2 ]" 1
426 1 73 ARG H 1 73 ARG QD 5.000 . 6.000 4.419 3.950 4.787 . 0 0 "[ . 1 . 2 ]" 1
427 1 73 ARG HA 1 74 ILE H 5.000 . 6.000 2.157 2.097 2.197 . 0 0 "[ . 1 . 2 ]" 1
428 1 73 ARG QB 1 74 ILE HA 5.000 . 6.000 4.299 4.022 4.593 . 0 0 "[ . 1 . 2 ]" 1
429 1 73 ARG QG 1 74 ILE MD 5.000 . 6.000 5.574 4.547 6.320 0.320 14 0 "[ . 1 . 2 ]" 1
430 1 38 ILE QG 1 74 ILE QG 5.000 . 6.000 2.944 2.102 4.009 . 0 0 "[ . 1 . 2 ]" 1
431 1 72 VAL HA 1 74 ILE H 5.000 . 6.000 5.878 5.586 6.118 0.118 14 0 "[ . 1 . 2 ]" 1
432 1 72 VAL QG 1 74 ILE HB 5.000 . 6.000 4.523 3.174 5.651 . 0 0 "[ . 1 . 2 ]" 1
433 1 73 ARG QD 1 74 ILE H 5.000 . 6.000 3.877 2.167 4.630 . 0 0 "[ . 1 . 2 ]" 1
434 1 73 ARG QB 1 75 THR H 5.000 . 6.000 4.776 4.511 5.066 . 0 0 "[ . 1 . 2 ]" 1
435 1 73 ARG QB 1 75 THR HA 5.000 . 6.000 5.876 5.007 6.278 0.278 1 0 "[ . 1 . 2 ]" 1
436 1 73 ARG QB 1 75 THR HB 5.000 . 6.000 5.713 4.930 6.206 0.206 6 0 "[ . 1 . 2 ]" 1
437 1 74 ILE HB 1 75 THR H 5.000 . 6.000 4.194 3.451 4.375 . 0 0 "[ . 1 . 2 ]" 1
438 1 74 ILE QG 1 75 THR H 5.000 . 6.000 3.073 2.870 3.633 . 0 0 "[ . 1 . 2 ]" 1
439 1 74 ILE H 1 75 THR HB 5.000 . 6.000 6.111 5.126 6.326 0.326 11 0 "[ . 1 . 2 ]" 1
440 1 75 THR HA 1 76 VAL H 5.000 . 6.000 2.151 2.086 2.220 . 0 0 "[ . 1 . 2 ]" 1
441 1 75 THR HB 1 76 VAL H 5.000 . 6.000 4.120 3.843 4.419 . 0 0 "[ . 1 . 2 ]" 1
442 1 38 ILE HB 1 76 VAL H 5.000 . 6.000 6.233 6.014 6.491 0.491 15 0 "[ . 1 . 2 ]" 1
443 1 74 ILE H 1 76 VAL H 5.000 . 6.000 6.049 5.858 6.233 0.233 1 0 "[ . 1 . 2 ]" 1
444 1 74 ILE HA 1 76 VAL H 5.000 . 6.000 5.112 4.942 5.269 . 0 0 "[ . 1 . 2 ]" 1
445 1 74 ILE HB 1 76 VAL H 5.000 . 6.000 5.013 4.141 6.078 0.078 9 0 "[ . 1 . 2 ]" 1
446 1 78 GLY QA 1 79 ASN HA 5.000 . 6.000 3.991 3.893 4.193 . 0 0 "[ . 1 . 2 ]" 1
447 1 78 GLY H 1 79 ASN H 5.000 . 6.000 3.302 1.742 4.611 0.058 12 0 "[ . 1 . 2 ]" 1
448 1 78 GLY QA 1 79 ASN H 5.000 . 6.000 2.377 2.094 2.868 . 0 0 "[ . 1 . 2 ]" 1
449 1 78 GLY QA 1 79 ASN QB 5.000 . 6.000 4.109 3.555 4.512 . 0 0 "[ . 1 . 2 ]" 1
450 1 79 ASN HA 1 80 ASP H 5.000 . 6.000 2.620 2.083 3.537 . 0 0 "[ . 1 . 2 ]" 1
451 1 79 ASN QB 1 81 GLY H 5.000 . 6.000 4.775 3.063 6.062 0.062 10 0 "[ . 1 . 2 ]" 1
452 1 78 GLY H 1 80 ASP H 5.000 . 6.000 5.134 2.786 6.356 0.356 17 0 "[ . 1 . 2 ]" 1
453 1 79 ASN QB 1 80 ASP H 5.000 . 6.000 3.148 1.779 3.991 0.021 8 0 "[ . 1 . 2 ]" 1
454 1 80 ASP HA 1 81 GLY H 5.000 . 6.000 2.773 2.090 3.561 . 0 0 "[ . 1 . 2 ]" 1
455 1 80 ASP HA 1 82 SER H 5.000 . 6.000 4.273 3.216 5.999 . 0 0 "[ . 1 . 2 ]" 1
456 1 80 ASP H 1 82 SER H 5.000 . 6.000 5.144 3.509 6.254 0.254 9 0 "[ . 1 . 2 ]" 1
457 1 81 GLY QA 1 82 SER H 5.000 . 6.000 2.628 2.069 2.932 . 0 0 "[ . 1 . 2 ]" 1
458 1 82 SER HA 1 83 GLU H 5.000 . 6.000 2.981 2.127 3.568 . 0 0 "[ . 1 . 2 ]" 1
459 1 81 GLY QA 1 83 GLU HA 5.000 . 6.000 5.531 4.637 6.195 0.195 6 0 "[ . 1 . 2 ]" 1
460 1 83 GLU HA 1 84 THR H 5.000 . 6.000 3.031 2.142 3.589 . 0 0 "[ . 1 . 2 ]" 1
461 1 81 GLY H 1 84 THR H 5.000 . 6.000 5.566 3.828 6.377 0.377 21 0 "[ . 1 . 2 ]" 1
462 1 83 GLU QB 1 84 THR H 5.000 . 6.000 3.335 2.147 4.069 . 0 0 "[ . 1 . 2 ]" 1
463 1 84 THR HG1 1 85 ASN HA 5.000 . 6.000 4.323 3.591 5.663 . 0 0 "[ . 1 . 2 ]" 1
464 1 85 ASN H 1 86 LEU HA 5.000 . 6.000 5.026 4.331 5.803 . 0 0 "[ . 1 . 2 ]" 1
465 1 85 ASN HA 1 86 LEU HA 5.000 . 6.000 4.568 4.293 5.334 . 0 0 "[ . 1 . 2 ]" 1
466 1 84 THR H 1 86 LEU QD 5.000 . 6.000 5.130 2.855 6.211 0.211 19 0 "[ . 1 . 2 ]" 1
467 1 85 ASN QB 1 86 LEU H 5.000 . 6.000 3.497 2.410 4.047 . 0 0 "[ . 1 . 2 ]" 1
468 1 85 ASN QD 1 86 LEU HA 5.000 . 6.000 5.482 4.333 6.165 0.165 18 0 "[ . 1 . 2 ]" 1
469 1 86 LEU HA 1 87 GLY H 5.000 . 6.000 2.822 2.140 3.550 . 0 0 "[ . 1 . 2 ]" 1
470 1 86 LEU HA 1 87 GLY QA 5.000 . 6.000 4.092 3.864 4.375 . 0 0 "[ . 1 . 2 ]" 1
471 1 87 GLY H 1 88 VAL H 5.000 . 6.000 3.859 1.822 4.608 . 0 0 "[ . 1 . 2 ]" 1
472 1 87 GLY QA 1 88 VAL H 5.000 . 6.000 2.335 2.089 2.912 . 0 0 "[ . 1 . 2 ]" 1
473 1 87 GLY QA 1 89 ILE H 5.000 . 6.000 5.090 4.461 5.587 . 0 0 "[ . 1 . 2 ]" 1
474 1 87 GLY QA 1 89 ILE HA 5.000 . 6.000 5.686 5.428 6.115 0.115 1 0 "[ . 1 . 2 ]" 1
475 1 88 VAL H 1 89 ILE H 5.000 . 6.000 4.253 2.753 4.590 . 0 0 "[ . 1 . 2 ]" 1
476 1 88 VAL HA 1 89 ILE H 5.000 . 6.000 2.291 2.098 3.547 . 0 0 "[ . 1 . 2 ]" 1
477 1 88 VAL HA 1 90 THR H 5.000 . 6.000 4.845 3.236 6.040 0.040 6 0 "[ . 1 . 2 ]" 1
478 1 88 VAL QG 1 89 ILE HB 5.000 . 6.000 4.951 3.076 5.893 . 0 0 "[ . 1 . 2 ]" 1
479 1 88 VAL HB 1 90 THR HB 5.000 . 6.000 5.490 3.107 6.245 0.245 12 0 "[ . 1 . 2 ]" 1
480 1 89 ILE HA 1 90 THR H 5.000 . 6.000 2.640 2.103 3.561 . 0 0 "[ . 1 . 2 ]" 1
481 1 89 ILE QG 1 90 THR H 5.000 . 6.000 3.099 2.747 3.647 . 0 0 "[ . 1 . 2 ]" 1
482 1 90 THR HA 1 91 ASN H 5.000 . 6.000 2.432 2.058 3.458 . 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 66
_Distance_constraint_stats_list.Viol_count 191
_Distance_constraint_stats_list.Viol_total 363.201
_Distance_constraint_stats_list.Viol_max 0.544
_Distance_constraint_stats_list.Viol_rms 0.0507
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0125
_Distance_constraint_stats_list.Viol_average_violations_only 0.0906
_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 26 TYR 0.805 0.229 9 0 "[ . 1 . 2 ]"
1 28 ASP 4.161 0.544 7 5 "[ - * + 1 *. * 2 ]"
1 30 VAL 0.716 0.117 16 0 "[ . 1 . 2 ]"
1 34 ASN 0.680 0.152 4 0 "[ . 1 . 2 ]"
1 35 ARG 2.861 0.241 11 0 "[ . 1 . 2 ]"
1 36 TRP 0.153 0.072 11 0 "[ . 1 . 2 ]"
1 37 GLY 0.716 0.117 16 0 "[ . 1 . 2 ]"
1 38 ILE 0.222 0.053 15 0 "[ . 1 . 2 ]"
1 39 ARG 6.225 0.544 7 5 "[ - * + 1 *. * 2 ]"
1 40 HIS 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 41 ASP 2.870 0.269 18 0 "[ . 1 . 2 ]"
1 50 SER 0.634 0.105 14 0 "[ . 1 . 2 ]"
1 51 LYS 0.019 0.019 19 0 "[ . 1 . 2 ]"
1 52 GLU 0.686 0.059 2 0 "[ . 1 . 2 ]"
1 53 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 54 ALA 0.634 0.105 14 0 "[ . 1 . 2 ]"
1 55 PHE 0.019 0.019 19 0 "[ . 1 . 2 ]"
1 56 GLU 0.686 0.059 2 0 "[ . 1 . 2 ]"
1 57 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 58 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 59 CYS 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 60 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 61 ALA 0.016 0.016 21 0 "[ . 1 . 2 ]"
1 62 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 63 SER 0.003 0.003 16 0 "[ . 1 . 2 ]"
1 64 ASN 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 65 ALA 0.370 0.097 1 0 "[ . 1 . 2 ]"
1 66 ILE 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 67 LYS 0.003 0.003 16 0 "[ . 1 . 2 ]"
1 68 PHE 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 69 GLY 0.001 0.001 7 0 "[ . 1 . 2 ]"
1 70 HIS 0.352 0.097 1 0 "[ . 1 . 2 ]"
1 71 GLU 3.606 0.241 11 0 "[ . 1 . 2 ]"
1 72 VAL 3.921 0.319 12 0 "[ . 1 . 2 ]"
1 73 ARG 4.182 0.319 12 0 "[ . 1 . 2 ]"
1 75 THR 0.050 0.021 19 0 "[ . 1 . 2 ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 28 ASP N 1 39 ARG O 3.200 2.700 3.700 2.771 2.629 3.123 0.071 4 0 "[ . 1 . 2 ]" 2
2 1 28 ASP H 1 39 ARG O 2.200 . 2.700 2.066 1.703 2.725 0.025 2 0 "[ . 1 . 2 ]" 2
3 1 30 VAL N 1 37 GLY O 3.200 2.700 3.700 3.065 2.736 3.453 . 0 0 "[ . 1 . 2 ]" 2
4 1 30 VAL H 1 37 GLY O 2.200 . 2.700 2.102 1.764 2.488 . 0 0 "[ . 1 . 2 ]" 2
5 1 35 ARG NE 1 71 GLU OE1 3.200 2.700 3.700 2.893 2.639 3.303 0.061 18 0 "[ . 1 . 2 ]" 2
6 1 35 ARG HE 1 71 GLU OE1 2.200 . 2.700 2.223 1.653 2.833 0.133 15 0 "[ . 1 . 2 ]" 2
7 1 35 ARG NH2 1 71 GLU OE1 3.200 2.700 3.700 3.221 2.715 3.581 . 0 0 "[ . 1 . 2 ]" 2
8 1 35 ARG HH21 1 71 GLU OE1 2.200 . 2.700 2.622 1.900 2.941 0.241 11 0 "[ . 1 . 2 ]" 2
9 1 36 TRP N 1 71 GLU O 3.200 2.700 3.700 2.972 2.727 3.718 0.018 11 0 "[ . 1 . 2 ]" 2
10 1 36 TRP H 1 71 GLU O 2.200 . 2.700 2.058 1.810 2.747 0.047 11 0 "[ . 1 . 2 ]" 2
11 1 30 VAL O 1 37 GLY N 3.200 2.700 3.700 3.528 3.067 3.752 0.052 1 0 "[ . 1 . 2 ]" 2
12 1 30 VAL O 1 37 GLY H 2.200 . 2.700 2.576 2.190 2.817 0.117 16 0 "[ . 1 . 2 ]" 2
13 1 38 ILE N 1 73 ARG O 3.200 2.700 3.700 2.782 2.647 2.986 0.053 15 0 "[ . 1 . 2 ]" 2
14 1 38 ILE H 1 73 ARG O 2.200 . 2.700 1.823 1.669 2.005 0.031 15 0 "[ . 1 . 2 ]" 2
15 1 28 ASP O 1 39 ARG N 3.200 2.700 3.700 3.169 2.678 3.554 0.022 12 0 "[ . 1 . 2 ]" 2
16 1 28 ASP O 1 39 ARG H 2.200 . 2.700 2.350 1.763 2.852 0.152 2 0 "[ . 1 . 2 ]" 2
17 1 39 ARG NH1 1 41 ASP OD2 3.200 2.700 3.700 3.186 2.641 3.957 0.257 18 0 "[ . 1 . 2 ]" 2
18 1 39 ARG HH12 1 41 ASP OD2 2.200 . 2.700 2.442 1.637 2.969 0.269 18 0 "[ . 1 . 2 ]" 2
19 1 28 ASP OD2 1 39 ARG NH2 3.200 2.700 3.700 3.115 2.637 3.535 0.063 9 0 "[ . 1 . 2 ]" 2
20 1 28 ASP OD2 1 39 ARG HH21 2.200 . 2.700 2.502 1.657 3.244 0.544 7 5 "[ - * + 1 *. * 2 ]" 2
21 1 40 HIS N 1 75 THR O 3.200 2.700 3.700 2.973 2.758 3.383 . 0 0 "[ . 1 . 2 ]" 2
22 1 40 HIS H 1 75 THR O 2.200 . 2.700 2.030 1.794 2.480 . 0 0 "[ . 1 . 2 ]" 2
23 1 26 TYR O 1 41 ASP N 3.200 2.700 3.700 3.286 2.862 3.780 0.080 3 0 "[ . 1 . 2 ]" 2
24 1 26 TYR O 1 41 ASP H 2.200 . 2.700 2.499 2.106 2.929 0.229 9 0 "[ . 1 . 2 ]" 2
25 1 50 SER O 1 54 ALA N 3.200 2.700 3.700 3.425 2.942 3.739 0.039 15 0 "[ . 1 . 2 ]" 2
26 1 50 SER O 1 54 ALA H 2.200 . 2.700 2.546 2.071 2.805 0.105 14 0 "[ . 1 . 2 ]" 2
27 1 51 LYS O 1 55 PHE N 3.200 2.700 3.700 3.095 2.681 3.304 0.019 19 0 "[ . 1 . 2 ]" 2
28 1 51 LYS O 1 55 PHE H 2.200 . 2.700 2.119 1.712 2.328 . 0 0 "[ . 1 . 2 ]" 2
29 1 52 GLU O 1 56 GLU N 3.200 2.700 3.700 2.670 2.641 2.731 0.059 2 0 "[ . 1 . 2 ]" 2
30 1 52 GLU O 1 56 GLU H 2.200 . 2.700 1.744 1.699 1.845 0.001 1 0 "[ . 1 . 2 ]" 2
31 1 53 ALA O 1 57 ALA N 3.200 2.700 3.700 3.097 2.863 3.443 . 0 0 "[ . 1 . 2 ]" 2
32 1 53 ALA O 1 57 ALA H 2.200 . 2.700 2.171 1.899 2.592 . 0 0 "[ . 1 . 2 ]" 2
33 1 54 ALA O 1 58 ALA N 3.200 2.700 3.700 2.848 2.770 2.962 . 0 0 "[ . 1 . 2 ]" 2
34 1 54 ALA O 1 58 ALA H 2.200 . 2.700 1.944 1.836 2.054 . 0 0 "[ . 1 . 2 ]" 2
35 1 55 PHE O 1 59 CYS N 3.200 2.700 3.700 2.825 2.716 2.921 . 0 0 "[ . 1 . 2 ]" 2
36 1 55 PHE O 1 59 CYS H 2.200 . 2.700 1.853 1.744 1.947 . 0 0 "[ . 1 . 2 ]" 2
37 1 56 GLU O 1 60 ALA N 3.200 2.700 3.700 2.979 2.828 3.138 . 0 0 "[ . 1 . 2 ]" 2
38 1 56 GLU O 1 60 ALA H 2.200 . 2.700 2.077 1.925 2.258 . 0 0 "[ . 1 . 2 ]" 2
39 1 57 ALA O 1 61 ALA N 3.200 2.700 3.700 2.779 2.709 2.875 . 0 0 "[ . 1 . 2 ]" 2
40 1 57 ALA O 1 61 ALA H 2.200 . 2.700 1.812 1.743 1.897 . 0 0 "[ . 1 . 2 ]" 2
41 1 58 ALA O 1 62 ALA N 3.200 2.700 3.700 2.839 2.748 2.971 . 0 0 "[ . 1 . 2 ]" 2
42 1 58 ALA O 1 62 ALA H 2.200 . 2.700 1.950 1.853 2.046 . 0 0 "[ . 1 . 2 ]" 2
43 1 59 CYS O 1 63 SER N 3.200 2.700 3.700 2.890 2.780 2.979 . 0 0 "[ . 1 . 2 ]" 2
44 1 59 CYS O 1 63 SER H 2.200 . 2.700 1.989 1.835 2.106 . 0 0 "[ . 1 . 2 ]" 2
45 1 60 ALA O 1 64 ASN N 3.200 2.700 3.700 3.232 2.903 3.553 . 0 0 "[ . 1 . 2 ]" 2
46 1 60 ALA O 1 64 ASN H 2.200 . 2.700 2.285 1.974 2.581 . 0 0 "[ . 1 . 2 ]" 2
47 1 61 ALA O 1 65 ALA N 3.200 2.700 3.700 2.772 2.684 2.862 0.016 21 0 "[ . 1 . 2 ]" 2
48 1 61 ALA O 1 65 ALA H 2.200 . 2.700 1.852 1.794 1.947 . 0 0 "[ . 1 . 2 ]" 2
49 1 62 ALA O 1 66 ILE N 3.200 2.700 3.700 2.871 2.713 3.115 . 0 0 "[ . 1 . 2 ]" 2
50 1 62 ALA O 1 66 ILE H 2.200 . 2.700 1.898 1.743 2.145 . 0 0 "[ . 1 . 2 ]" 2
51 1 63 SER O 1 67 LYS N 3.200 2.700 3.700 2.928 2.697 3.008 0.003 16 0 "[ . 1 . 2 ]" 2
52 1 63 SER O 1 67 LYS H 2.200 . 2.700 2.023 1.782 2.091 . 0 0 "[ . 1 . 2 ]" 2
53 1 64 ASN O 1 68 PHE N 3.200 2.700 3.700 2.982 2.775 3.384 . 0 0 "[ . 1 . 2 ]" 2
54 1 64 ASN O 1 68 PHE H 2.200 . 2.700 2.106 1.861 2.504 . 0 0 "[ . 1 . 2 ]" 2
55 1 65 ALA O 1 69 GLY N 3.200 2.700 3.700 3.054 2.961 3.166 . 0 0 "[ . 1 . 2 ]" 2
56 1 65 ALA O 1 69 GLY H 2.200 . 2.700 2.527 2.318 2.701 0.001 7 0 "[ . 1 . 2 ]" 2
57 1 65 ALA O 1 70 HIS N 3.200 2.700 3.700 2.726 2.603 2.963 0.097 1 0 "[ . 1 . 2 ]" 2
58 1 65 ALA O 1 70 HIS H 2.200 . 2.700 1.852 1.698 2.014 0.002 21 0 "[ . 1 . 2 ]" 2
59 1 34 ASN O 1 71 GLU N 3.200 2.700 3.700 3.404 2.946 3.705 0.005 4 0 "[ . 1 . 2 ]" 2
60 1 34 ASN O 1 71 GLU H 2.200 . 2.700 2.562 2.022 2.852 0.152 4 0 "[ . 1 . 2 ]" 2
61 1 36 TRP O 1 73 ARG N 3.200 2.700 3.700 2.917 2.689 3.681 0.011 3 0 "[ . 1 . 2 ]" 2
62 1 36 TRP O 1 73 ARG H 2.200 . 2.700 2.020 1.720 2.772 0.072 11 0 "[ . 1 . 2 ]" 2
63 1 72 VAL O 1 73 ARG NH1 3.200 2.700 3.700 2.967 2.685 3.583 0.015 1 0 "[ . 1 . 2 ]" 2
64 1 72 VAL O 1 73 ARG HH11 2.200 . 2.700 2.852 2.018 3.019 0.319 12 0 "[ . 1 . 2 ]" 2
65 1 38 ILE O 1 75 THR N 3.200 2.700 3.700 2.763 2.679 2.941 0.021 19 0 "[ . 1 . 2 ]" 2
66 1 38 ILE O 1 75 THR H 2.200 . 2.700 1.821 1.721 2.029 . 0 0 "[ . 1 . 2 ]" 2
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