NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
375653 |
1f5y   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1f5y
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 839
_Distance_constraint_stats_list.Viol_count 2592
_Distance_constraint_stats_list.Viol_total 5627.807
_Distance_constraint_stats_list.Viol_max 0.341
_Distance_constraint_stats_list.Viol_rms 0.0496
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0168
_Distance_constraint_stats_list.Viol_average_violations_only 0.1086
_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 ALA 0.017 0.017 5 0 "[ . 1 . 2]"
1 4 VAL 1.346 0.140 7 0 "[ . 1 . 2]"
1 5 GLY 0.425 0.140 7 0 "[ . 1 . 2]"
1 6 ASP 3.931 0.263 6 0 "[ . 1 . 2]"
1 7 ARG 3.446 0.238 13 0 "[ . 1 . 2]"
1 8 CYS 0.946 0.083 17 0 "[ . 1 . 2]"
1 9 GLU 6.597 0.166 5 0 "[ . 1 . 2]"
1 10 ARG 7.725 0.326 5 0 "[ . 1 . 2]"
1 11 ASN 3.566 0.149 5 0 "[ . 1 . 2]"
1 12 GLU 5.061 0.173 16 0 "[ . 1 . 2]"
1 13 PHE 7.615 0.246 15 0 "[ . 1 . 2]"
1 14 GLN 10.814 0.248 17 0 "[ . 1 . 2]"
1 15 CYS 8.145 0.226 4 0 "[ . 1 . 2]"
1 16 GLN 11.397 0.274 14 0 "[ . 1 . 2]"
1 17 ASP 14.842 0.254 3 0 "[ . 1 . 2]"
1 18 GLY 6.549 0.187 17 0 "[ . 1 . 2]"
1 19 LYS 0.440 0.043 5 0 "[ . 1 . 2]"
1 20 CYS 0.032 0.032 2 0 "[ . 1 . 2]"
1 21 ILE 5.177 0.171 5 0 "[ . 1 . 2]"
1 22 SER 3.934 0.169 11 0 "[ . 1 . 2]"
1 23 TYR 2.816 0.129 12 0 "[ . 1 . 2]"
1 24 LYS 6.484 0.257 11 0 "[ . 1 . 2]"
1 25 TRP 9.427 0.171 5 0 "[ . 1 . 2]"
1 26 VAL 5.918 0.214 14 0 "[ . 1 . 2]"
1 27 CYS 1.561 0.244 18 0 "[ . 1 . 2]"
1 28 ASP 3.168 0.152 9 0 "[ . 1 . 2]"
1 29 GLY 3.921 0.233 1 0 "[ . 1 . 2]"
1 30 SER 3.190 0.207 20 0 "[ . 1 . 2]"
1 31 ALA 2.447 0.127 12 0 "[ . 1 . 2]"
1 32 GLU 6.628 0.238 7 0 "[ . 1 . 2]"
1 33 CYS 4.655 0.207 10 0 "[ . 1 . 2]"
1 34 GLN 1.134 0.141 14 0 "[ . 1 . 2]"
1 35 ASP 14.859 0.315 14 0 "[ . 1 . 2]"
1 36 GLY 9.296 0.303 14 0 "[ . 1 . 2]"
1 37 SER 3.019 0.148 2 0 "[ . 1 . 2]"
1 38 ASP 8.550 0.303 14 0 "[ . 1 . 2]"
1 39 GLU 0.926 0.067 2 0 "[ . 1 . 2]"
1 40 SER 6.399 0.214 18 0 "[ . 1 . 2]"
1 41 GLN 2.020 0.129 5 0 "[ . 1 . 2]"
1 42 GLU 7.868 0.250 3 0 "[ . 1 . 2]"
1 43 THR 3.865 0.341 12 0 "[ . 1 . 2]"
1 44 CYS 2.907 0.341 12 0 "[ . 1 . 2]"
1 45 LEU 5.163 0.181 18 0 "[ . 1 . 2]"
1 46 SER 0.287 0.136 4 0 "[ . 1 . 2]"
1 47 VAL 1.649 0.269 8 0 "[ . 1 . 2]"
1 48 THR 2.237 0.299 15 0 "[ . 1 . 2]"
1 49 CYS 4.714 0.273 14 0 "[ . 1 . 2]"
1 50 LYS 2.107 0.266 16 0 "[ . 1 . 2]"
1 51 SER 2.046 0.202 12 0 "[ . 1 . 2]"
1 52 GLY 1.818 0.202 12 0 "[ . 1 . 2]"
1 53 ASP 3.081 0.163 17 0 "[ . 1 . 2]"
1 54 PHE 11.587 0.257 7 0 "[ . 1 . 2]"
1 55 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 56 CYS 3.069 0.229 8 0 "[ . 1 . 2]"
1 57 GLY 3.260 0.166 17 0 "[ . 1 . 2]"
1 58 GLY 0.031 0.031 5 0 "[ . 1 . 2]"
1 59 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 60 VAL 5.559 0.318 1 0 "[ . 1 . 2]"
1 61 ASN 2.619 0.272 17 0 "[ . 1 . 2]"
1 62 ARG 7.572 0.272 17 0 "[ . 1 . 2]"
1 63 CYS 3.100 0.145 9 0 "[ . 1 . 2]"
1 64 ILE 2.036 0.126 2 0 "[ . 1 . 2]"
1 65 PRO 0.869 0.093 10 0 "[ . 1 . 2]"
1 66 GLN 1.734 0.155 10 0 "[ . 1 . 2]"
1 67 PHE 2.873 0.142 10 0 "[ . 1 . 2]"
1 68 TRP 7.318 0.268 7 0 "[ . 1 . 2]"
1 69 ARG 5.081 0.273 4 0 "[ . 1 . 2]"
1 70 CYS 7.403 0.273 4 0 "[ . 1 . 2]"
1 71 ASP 13.579 0.283 19 0 "[ . 1 . 2]"
1 72 GLY 3.387 0.183 10 0 "[ . 1 . 2]"
1 73 GLN 3.658 0.149 9 0 "[ . 1 . 2]"
1 74 VAL 5.236 0.184 11 0 "[ . 1 . 2]"
1 75 ASP 4.301 0.211 9 0 "[ . 1 . 2]"
1 76 CYS 6.662 0.203 15 0 "[ . 1 . 2]"
1 77 ASP 0.921 0.101 8 0 "[ . 1 . 2]"
1 78 ASN 2.148 0.260 8 0 "[ . 1 . 2]"
1 79 GLY 0.070 0.041 8 0 "[ . 1 . 2]"
1 80 SER 1.879 0.250 15 0 "[ . 1 . 2]"
1 81 ASP 14.109 0.313 12 0 "[ . 1 . 2]"
1 82 GLU 4.218 0.283 19 0 "[ . 1 . 2]"
1 83 GLN 4.927 0.123 11 0 "[ . 1 . 2]"
1 84 GLY 7.076 0.313 12 0 "[ . 1 . 2]"
1 85 CYS 7.202 0.244 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 3 ALA HA 1 4 VAL HA 0.000 . 5.000 4.539 4.330 4.768 . 0 0 "[ . 1 . 2]" 1
2 1 3 ALA HA 1 4 VAL H 0.000 . 3.500 2.458 2.102 3.517 0.017 5 0 "[ . 1 . 2]" 1
3 1 4 VAL H 1 4 VAL HB 0.000 . 3.500 3.280 2.445 3.582 0.082 17 0 "[ . 1 . 2]" 1
4 1 4 VAL HA 1 5 GLY H 0.000 . 3.500 2.603 2.088 3.500 0.000 13 0 "[ . 1 . 2]" 1
5 1 4 VAL HB 1 5 GLY H 0.000 . 3.500 2.771 1.911 3.640 0.140 7 0 "[ . 1 . 2]" 1
6 1 5 GLY H 1 6 ASP H 0.000 . 2.700 2.383 1.762 2.738 0.038 15 0 "[ . 1 . 2]" 1
7 1 6 ASP H 1 6 ASP HB2 0.000 . 3.500 3.059 2.274 3.578 0.078 5 0 "[ . 1 . 2]" 1
8 1 6 ASP H 1 6 ASP HB3 0.000 . 3.500 2.961 2.418 3.706 0.206 15 0 "[ . 1 . 2]" 1
9 1 6 ASP HA 1 6 ASP HB2 0.000 . 2.700 2.585 2.396 2.950 0.250 14 0 "[ . 1 . 2]" 1
10 1 6 ASP HA 1 6 ASP HB3 0.000 . 2.700 2.608 2.434 2.963 0.263 6 0 "[ . 1 . 2]" 1
11 1 6 ASP HB2 1 7 ARG H 0.000 . 5.000 4.052 1.916 4.576 . 0 0 "[ . 1 . 2]" 1
12 1 6 ASP HB3 1 7 ARG H 0.000 . 5.000 4.220 3.454 4.660 . 0 0 "[ . 1 . 2]" 1
13 1 7 ARG H 1 7 ARG HB2 0.000 . 3.500 3.414 2.301 3.710 0.210 4 0 "[ . 1 . 2]" 1
14 1 7 ARG H 1 7 ARG HB3 0.000 . 3.500 2.888 2.636 3.593 0.093 13 0 "[ . 1 . 2]" 1
15 1 7 ARG H 1 7 ARG QG 0.000 . 4.500 2.070 1.795 3.152 . 0 0 "[ . 1 . 2]" 1
16 1 7 ARG HA 1 7 ARG HB2 0.000 . 2.700 2.536 2.403 2.938 0.238 13 0 "[ . 1 . 2]" 1
17 1 7 ARG HA 1 7 ARG HB3 0.000 . 2.700 2.458 2.427 2.485 . 0 0 "[ . 1 . 2]" 1
18 1 7 ARG HA 1 8 CYS H 0.000 . 2.700 2.528 2.339 2.748 0.048 2 0 "[ . 1 . 2]" 1
19 1 7 ARG HB2 1 8 CYS H 0.000 . 3.500 2.268 1.822 3.517 0.017 16 0 "[ . 1 . 2]" 1
20 1 7 ARG HB3 1 8 CYS H 0.000 . 3.500 3.349 2.317 3.583 0.083 17 0 "[ . 1 . 2]" 1
21 1 7 ARG QG 1 8 CYS H 0.000 . 6.000 3.240 2.672 3.865 . 0 0 "[ . 1 . 2]" 1
22 1 8 CYS H 1 8 CYS HB2 0.000 . 2.700 2.544 2.352 2.722 0.022 11 0 "[ . 1 . 2]" 1
23 1 8 CYS HA 1 9 GLU H 0.000 . 2.700 2.422 2.302 2.541 . 0 0 "[ . 1 . 2]" 1
24 1 8 CYS HB2 1 9 GLU H 0.000 . 3.500 3.477 3.356 3.548 0.048 11 0 "[ . 1 . 2]" 1
25 1 8 CYS HB2 1 12 GLU H 0.000 . 5.000 4.333 4.062 4.741 . 0 0 "[ . 1 . 2]" 1
26 1 8 CYS HB2 1 20 CYS HB2 0.000 . 6.000 3.230 2.897 4.365 . 0 0 "[ . 1 . 2]" 1
27 1 8 CYS HB2 1 20 CYS HB3 0.000 . 6.000 4.229 3.865 5.555 . 0 0 "[ . 1 . 2]" 1
28 1 8 CYS HB3 1 9 GLU H 0.000 . 3.500 2.220 2.037 2.506 . 0 0 "[ . 1 . 2]" 1
29 1 8 CYS HB3 1 12 GLU H 0.000 . 5.000 3.704 3.056 4.052 . 0 0 "[ . 1 . 2]" 1
30 1 8 CYS HB3 1 20 CYS HB2 0.000 . 6.000 4.503 4.330 4.734 . 0 0 "[ . 1 . 2]" 1
31 1 8 CYS HB3 1 20 CYS HB3 0.000 . 6.000 5.036 4.841 5.275 . 0 0 "[ . 1 . 2]" 1
32 1 8 CYS QB 1 12 GLU QB 0.000 . 5.500 2.310 2.148 2.556 . 0 0 "[ . 1 . 2]" 1
33 1 8 CYS QB 1 12 GLU QG 0.000 . 5.500 3.588 3.409 4.046 . 0 0 "[ . 1 . 2]" 1
34 1 9 GLU H 1 9 GLU HB3 0.000 . 3.500 3.408 3.340 3.498 . 0 0 "[ . 1 . 2]" 1
35 1 9 GLU H 1 9 GLU HG2 0.000 . 3.500 2.310 2.224 2.462 . 0 0 "[ . 1 . 2]" 1
36 1 9 GLU H 1 9 GLU HG3 0.000 . 3.500 2.998 2.889 3.176 . 0 0 "[ . 1 . 2]" 1
37 1 9 GLU H 1 12 GLU H 0.000 . 5.000 4.862 3.931 5.015 0.015 14 0 "[ . 1 . 2]" 1
38 1 9 GLU HA 1 9 GLU HB2 0.000 . 2.700 2.516 2.502 2.548 . 0 0 "[ . 1 . 2]" 1
39 1 9 GLU HA 1 9 GLU HB3 0.000 . 2.700 2.436 2.416 2.482 . 0 0 "[ . 1 . 2]" 1
40 1 9 GLU HA 1 9 GLU HG2 0.000 . 3.500 3.610 3.597 3.619 0.119 3 0 "[ . 1 . 2]" 1
41 1 9 GLU HA 1 9 GLU HG3 0.000 . 3.500 3.646 3.635 3.657 0.157 10 0 "[ . 1 . 2]" 1
42 1 9 GLU HA 1 10 ARG H 0.000 . 2.700 2.757 2.708 2.866 0.166 5 0 "[ . 1 . 2]" 1
43 1 9 GLU HA 1 10 ARG QD 0.000 . 4.500 3.672 3.649 3.724 . 0 0 "[ . 1 . 2]" 1
44 1 9 GLU HG2 1 10 ARG H 0.000 . 5.000 4.362 3.824 4.555 . 0 0 "[ . 1 . 2]" 1
45 1 9 GLU HG3 1 10 ARG H 0.000 . 5.000 4.111 3.714 4.276 . 0 0 "[ . 1 . 2]" 1
46 1 10 ARG H 1 10 ARG HB2 0.000 . 3.500 3.748 3.731 3.769 0.269 9 0 "[ . 1 . 2]" 1
47 1 10 ARG H 1 10 ARG HB3 0.000 . 3.500 3.403 3.355 3.481 . 0 0 "[ . 1 . 2]" 1
48 1 10 ARG H 1 10 ARG HG2 0.000 . 5.000 2.870 2.526 3.148 . 0 0 "[ . 1 . 2]" 1
49 1 10 ARG H 1 10 ARG HG3 0.000 . 5.000 4.012 3.888 4.076 . 0 0 "[ . 1 . 2]" 1
50 1 10 ARG H 1 10 ARG QD 0.000 . 6.000 1.788 1.677 2.147 . 0 0 "[ . 1 . 2]" 1
51 1 10 ARG H 1 11 ASN H 0.000 . 3.500 3.564 3.532 3.596 0.096 9 0 "[ . 1 . 2]" 1
52 1 10 ARG HA 1 10 ARG HB2 0.000 . 2.700 2.491 2.459 2.528 . 0 0 "[ . 1 . 2]" 1
53 1 10 ARG HA 1 10 ARG HB3 0.000 . 2.700 2.423 2.376 2.460 . 0 0 "[ . 1 . 2]" 1
54 1 10 ARG HA 1 10 ARG HE 0.000 . 5.000 4.136 3.840 5.326 0.326 5 0 "[ . 1 . 2]" 1
55 1 10 ARG HA 1 11 ASN H 0.000 . 3.500 3.305 3.255 3.360 . 0 0 "[ . 1 . 2]" 1
56 1 10 ARG HA 1 12 GLU H 0.000 . 5.000 4.693 4.500 4.856 . 0 0 "[ . 1 . 2]" 1
57 1 10 ARG HB2 1 11 ASN H 0.000 . 3.500 1.892 1.838 1.934 . 0 0 "[ . 1 . 2]" 1
58 1 10 ARG HB3 1 11 ASN H 0.000 . 3.500 3.311 3.276 3.356 . 0 0 "[ . 1 . 2]" 1
59 1 10 ARG QB 1 12 GLU H 0.000 . 4.500 3.877 3.805 3.958 . 0 0 "[ . 1 . 2]" 1
60 1 10 ARG HG2 1 11 ASN H 0.000 . 5.000 1.827 1.748 1.950 . 0 0 "[ . 1 . 2]" 1
61 1 10 ARG HG3 1 11 ASN H 0.000 . 5.000 2.787 2.670 2.913 . 0 0 "[ . 1 . 2]" 1
62 1 10 ARG HG2 1 12 GLU QG 0.000 . 3.700 2.170 2.119 2.242 . 0 0 "[ . 1 . 2]" 1
63 1 10 ARG HG3 1 12 GLU QG 0.000 . 3.700 2.947 2.683 2.998 . 0 0 "[ . 1 . 2]" 1
64 1 10 ARG HE 1 11 ASN QD 0.000 . 6.000 5.094 4.683 5.415 . 0 0 "[ . 1 . 2]" 1
65 1 11 ASN H 1 11 ASN HB2 0.000 . 3.500 3.614 3.577 3.649 0.149 5 0 "[ . 1 . 2]" 1
66 1 11 ASN H 1 11 ASN HB3 0.000 . 3.500 2.863 2.785 3.028 . 0 0 "[ . 1 . 2]" 1
67 1 11 ASN H 1 12 GLU QG 0.000 . 4.500 3.285 2.972 3.438 . 0 0 "[ . 1 . 2]" 1
68 1 11 ASN HA 1 11 ASN HB2 0.000 . 2.700 2.480 2.461 2.517 . 0 0 "[ . 1 . 2]" 1
69 1 11 ASN HA 1 11 ASN HB3 0.000 . 2.700 2.446 2.385 2.473 . 0 0 "[ . 1 . 2]" 1
70 1 11 ASN HA 1 12 GLU H 0.000 . 3.500 3.274 3.110 3.366 . 0 0 "[ . 1 . 2]" 1
71 1 12 GLU H 1 12 GLU HB2 0.000 . 3.500 2.525 2.420 2.654 . 0 0 "[ . 1 . 2]" 1
72 1 12 GLU H 1 12 GLU HB3 0.000 . 3.500 3.624 3.607 3.673 0.173 16 0 "[ . 1 . 2]" 1
73 1 12 GLU H 1 12 GLU HG2 0.000 . 3.500 3.410 3.313 3.559 0.059 5 0 "[ . 1 . 2]" 1
74 1 12 GLU H 1 12 GLU HG3 0.000 . 3.500 2.307 2.197 2.451 . 0 0 "[ . 1 . 2]" 1
75 1 12 GLU H 1 13 PHE H 0.000 . 5.000 4.492 4.407 4.531 . 0 0 "[ . 1 . 2]" 1
76 1 12 GLU HA 1 12 GLU HG2 0.000 . 3.500 2.475 2.410 2.575 . 0 0 "[ . 1 . 2]" 1
77 1 12 GLU HA 1 12 GLU HG3 0.000 . 3.500 3.149 3.063 3.248 . 0 0 "[ . 1 . 2]" 1
78 1 12 GLU HA 1 13 PHE H 0.000 . 2.700 2.152 2.042 2.223 . 0 0 "[ . 1 . 2]" 1
79 1 12 GLU HA 1 23 TYR H 0.000 . 3.500 3.509 3.206 3.568 0.068 13 0 "[ . 1 . 2]" 1
80 1 12 GLU HA 1 23 TYR QB 0.000 . 6.000 5.127 4.779 5.255 . 0 0 "[ . 1 . 2]" 1
81 1 12 GLU HB2 1 13 PHE H 0.000 . 3.500 3.596 3.543 3.654 0.154 11 0 "[ . 1 . 2]" 1
82 1 12 GLU HB2 1 20 CYS QB 0.000 . 4.500 4.117 4.082 4.151 . 0 0 "[ . 1 . 2]" 1
83 1 12 GLU HB2 1 21 ILE H 0.000 . 5.000 4.818 4.600 4.988 . 0 0 "[ . 1 . 2]" 1
84 1 12 GLU HB3 1 13 PHE H 0.000 . 3.500 2.502 2.328 2.738 . 0 0 "[ . 1 . 2]" 1
85 1 12 GLU HB3 1 20 CYS QB 0.000 . 4.500 4.167 4.136 4.193 . 0 0 "[ . 1 . 2]" 1
86 1 12 GLU HB3 1 21 ILE H 0.000 . 5.000 3.595 3.238 3.788 . 0 0 "[ . 1 . 2]" 1
87 1 12 GLU QG 1 13 PHE H 0.000 . 4.500 3.815 3.634 4.003 . 0 0 "[ . 1 . 2]" 1
88 1 13 PHE H 1 13 PHE HB2 0.000 . 2.700 2.726 2.637 2.748 0.048 5 0 "[ . 1 . 2]" 1
89 1 13 PHE H 1 13 PHE HB3 0.000 . 2.700 2.394 2.330 2.434 . 0 0 "[ . 1 . 2]" 1
90 1 13 PHE H 1 14 GLN H 0.000 . 5.000 4.424 4.341 4.542 . 0 0 "[ . 1 . 2]" 1
91 1 13 PHE H 1 22 SER HA 0.000 . 5.000 2.533 2.216 2.753 . 0 0 "[ . 1 . 2]" 1
92 1 13 PHE H 1 23 TYR H 0.000 . 5.000 3.997 3.743 4.290 . 0 0 "[ . 1 . 2]" 1
93 1 13 PHE H 1 23 TYR HA 0.000 . 5.000 4.737 4.555 4.866 . 0 0 "[ . 1 . 2]" 1
94 1 13 PHE H 1 23 TYR QD 0.000 . 7.000 3.859 2.839 5.159 . 0 0 "[ . 1 . 2]" 1
95 1 13 PHE H 1 26 VAL QG 0.000 . 7.400 4.156 3.915 4.333 . 0 0 "[ . 1 . 2]" 1
96 1 13 PHE HA 1 13 PHE HB2 0.000 . 2.700 2.429 2.398 2.461 . 0 0 "[ . 1 . 2]" 1
97 1 13 PHE HA 1 13 PHE HB3 0.000 . 2.700 2.939 2.933 2.946 0.246 15 0 "[ . 1 . 2]" 1
98 1 13 PHE HA 1 14 GLN H 0.000 . 2.700 2.193 2.153 2.262 . 0 0 "[ . 1 . 2]" 1
99 1 13 PHE HA 1 23 TYR QE 0.000 . 7.000 3.825 2.812 5.109 . 0 0 "[ . 1 . 2]" 1
100 1 13 PHE HA 1 26 VAL QG 0.000 . 7.400 4.342 4.206 4.605 . 0 0 "[ . 1 . 2]" 1
101 1 13 PHE HB2 1 14 GLN H 0.000 . 5.000 4.392 4.170 4.557 . 0 0 "[ . 1 . 2]" 1
102 1 13 PHE HB2 1 21 ILE MD 0.000 . 6.000 3.354 3.284 3.453 . 0 0 "[ . 1 . 2]" 1
103 1 13 PHE HB2 1 23 TYR QD 0.000 . 7.000 3.545 2.606 4.219 . 0 0 "[ . 1 . 2]" 1
104 1 13 PHE HB2 1 26 VAL MG1 0.000 . 6.000 2.705 2.523 2.983 . 0 0 "[ . 1 . 2]" 1
105 1 13 PHE HB2 1 26 VAL MG2 0.000 . 6.000 3.824 3.649 4.142 . 0 0 "[ . 1 . 2]" 1
106 1 13 PHE HB3 1 14 GLN H 0.000 . 5.000 4.286 4.129 4.371 . 0 0 "[ . 1 . 2]" 1
107 1 13 PHE HB3 1 21 ILE MD 0.000 . 6.000 2.100 2.030 2.224 . 0 0 "[ . 1 . 2]" 1
108 1 13 PHE HB3 1 23 TYR QD 0.000 . 7.000 4.519 3.441 5.247 . 0 0 "[ . 1 . 2]" 1
109 1 13 PHE HB3 1 26 VAL MG1 0.000 . 6.000 2.637 2.529 2.860 . 0 0 "[ . 1 . 2]" 1
110 1 13 PHE HB3 1 26 VAL MG2 0.000 . 6.000 4.370 4.198 4.557 . 0 0 "[ . 1 . 2]" 1
111 1 13 PHE QB 1 21 ILE QG 0.000 . 7.000 3.147 2.986 3.310 . 0 0 "[ . 1 . 2]" 1
112 1 13 PHE QB 1 21 ILE MG 0.000 . 7.000 5.003 4.960 5.048 . 0 0 "[ . 1 . 2]" 1
113 1 13 PHE QB 1 23 TYR HA 0.000 . 4.500 3.424 3.136 3.893 . 0 0 "[ . 1 . 2]" 1
114 1 13 PHE QD 1 14 GLN H 0.000 . 7.000 3.831 3.483 4.083 . 0 0 "[ . 1 . 2]" 1
115 1 13 PHE QD 1 15 CYS H 0.000 . 7.000 4.262 4.051 4.494 . 0 0 "[ . 1 . 2]" 1
116 1 13 PHE QD 1 15 CYS HA 0.000 . 7.000 3.510 3.340 3.810 . 0 0 "[ . 1 . 2]" 1
117 1 13 PHE QD 1 21 ILE H 0.000 . 7.000 3.784 3.640 3.876 . 0 0 "[ . 1 . 2]" 1
118 1 13 PHE QD 1 21 ILE HB 0.000 . 7.000 5.045 4.893 5.182 . 0 0 "[ . 1 . 2]" 1
119 1 13 PHE QD 1 21 ILE MG 0.000 . 8.000 4.626 4.484 4.787 . 0 0 "[ . 1 . 2]" 1
120 1 13 PHE QD 1 21 ILE QG 0.000 . 8.000 2.428 2.242 2.613 . 0 0 "[ . 1 . 2]" 1
121 1 13 PHE QD 1 21 ILE MD 0.000 . 6.500 2.083 1.988 2.178 . 0 0 "[ . 1 . 2]" 1
122 1 13 PHE QD 1 26 VAL MG1 0.000 . 8.000 2.714 2.612 2.828 . 0 0 "[ . 1 . 2]" 1
123 1 13 PHE QD 1 26 VAL MG2 0.000 . 8.000 4.062 3.692 4.635 . 0 0 "[ . 1 . 2]" 1
124 1 13 PHE QD 1 38 ASP HA 0.000 . 7.000 3.764 3.502 4.057 . 0 0 "[ . 1 . 2]" 1
125 1 13 PHE QD 1 38 ASP HB2 0.000 . 7.000 4.253 3.897 4.461 . 0 0 "[ . 1 . 2]" 1
126 1 13 PHE QD 1 38 ASP HB3 0.000 . 7.000 3.045 2.575 3.312 . 0 0 "[ . 1 . 2]" 1
127 1 13 PHE QD 1 43 THR MG 0.000 . 8.000 2.492 2.204 3.396 . 0 0 "[ . 1 . 2]" 1
128 1 13 PHE QE 1 14 GLN QG 0.000 . 8.000 5.784 5.564 6.087 . 0 0 "[ . 1 . 2]" 1
129 1 13 PHE QE 1 15 CYS H 0.000 . 7.000 4.742 4.481 5.220 . 0 0 "[ . 1 . 2]" 1
130 1 13 PHE QE 1 15 CYS HA 0.000 . 5.500 2.454 2.269 2.901 . 0 0 "[ . 1 . 2]" 1
131 1 13 PHE QE 1 16 GLN H 0.000 . 7.000 4.098 3.802 4.464 . 0 0 "[ . 1 . 2]" 1
132 1 13 PHE QE 1 21 ILE QG 0.000 . 8.000 3.988 3.751 4.178 . 0 0 "[ . 1 . 2]" 1
133 1 13 PHE QE 1 21 ILE MD 0.000 . 8.000 3.554 3.406 3.666 . 0 0 "[ . 1 . 2]" 1
134 1 13 PHE QE 1 26 VAL HB 0.000 . 7.000 4.904 4.560 5.326 . 0 0 "[ . 1 . 2]" 1
135 1 13 PHE QE 1 26 VAL MG1 0.000 . 8.000 3.378 3.098 3.741 . 0 0 "[ . 1 . 2]" 1
136 1 13 PHE QE 1 26 VAL MG2 0.000 . 8.000 4.812 4.209 5.507 . 0 0 "[ . 1 . 2]" 1
137 1 13 PHE QE 1 37 SER HA 0.000 . 7.000 4.677 4.443 5.298 . 0 0 "[ . 1 . 2]" 1
138 1 13 PHE QE 1 38 ASP H 0.000 . 7.000 3.366 2.985 4.015 . 0 0 "[ . 1 . 2]" 1
139 1 13 PHE QE 1 38 ASP HA 0.000 . 7.000 2.728 2.553 2.854 . 0 0 "[ . 1 . 2]" 1
140 1 13 PHE QE 1 38 ASP HB2 0.000 . 5.500 4.373 4.203 4.549 . 0 0 "[ . 1 . 2]" 1
141 1 13 PHE QE 1 38 ASP HB3 0.000 . 5.500 3.140 2.872 3.425 . 0 0 "[ . 1 . 2]" 1
142 1 13 PHE QE 1 43 THR MG 0.000 . 6.500 2.493 2.240 2.744 . 0 0 "[ . 1 . 2]" 1
143 1 13 PHE HZ 1 38 ASP HA 0.000 . 3.500 3.402 2.876 3.575 0.075 9 0 "[ . 1 . 2]" 1
144 1 13 PHE HZ 1 43 THR MG 0.000 . 4.500 3.470 2.593 3.638 . 0 0 "[ . 1 . 2]" 1
145 1 14 GLN H 1 14 GLN HA 0.000 . 2.700 2.892 2.868 2.911 0.211 2 0 "[ . 1 . 2]" 1
146 1 14 GLN H 1 14 GLN HB2 0.000 . 2.700 2.565 2.525 2.659 . 0 0 "[ . 1 . 2]" 1
147 1 14 GLN H 1 14 GLN HB3 0.000 . 2.700 2.509 2.477 2.553 . 0 0 "[ . 1 . 2]" 1
148 1 14 GLN H 1 14 GLN HG2 0.000 . 5.000 4.420 4.392 4.456 . 0 0 "[ . 1 . 2]" 1
149 1 14 GLN H 1 14 GLN HG3 0.000 . 5.000 4.462 4.426 4.513 . 0 0 "[ . 1 . 2]" 1
150 1 14 GLN H 1 15 CYS H 0.000 . 5.000 4.528 4.468 4.603 . 0 0 "[ . 1 . 2]" 1
151 1 14 GLN HA 1 14 GLN HB2 0.000 . 2.700 2.488 2.462 2.508 . 0 0 "[ . 1 . 2]" 1
152 1 14 GLN HA 1 14 GLN HB3 0.000 . 2.700 2.939 2.934 2.948 0.248 17 0 "[ . 1 . 2]" 1
153 1 14 GLN HA 1 14 GLN HG2 0.000 . 2.700 2.810 2.784 2.828 0.128 2 0 "[ . 1 . 2]" 1
154 1 14 GLN HA 1 14 GLN HG3 0.000 . 2.700 2.398 2.343 2.440 . 0 0 "[ . 1 . 2]" 1
155 1 14 GLN HA 1 15 CYS H 0.000 . 2.700 2.221 2.173 2.251 . 0 0 "[ . 1 . 2]" 1
156 1 14 GLN HB2 1 15 CYS H 0.000 . 5.000 4.292 4.160 4.387 . 0 0 "[ . 1 . 2]" 1
157 1 14 GLN HB3 1 15 CYS H 0.000 . 5.000 4.007 3.869 4.084 . 0 0 "[ . 1 . 2]" 1
158 1 14 GLN HG2 1 15 CYS H 0.000 . 5.000 2.652 2.296 2.836 . 0 0 "[ . 1 . 2]" 1
159 1 14 GLN HG2 1 18 GLY QA 0.000 . 6.000 2.197 2.110 2.312 . 0 0 "[ . 1 . 2]" 1
160 1 14 GLN HG3 1 15 CYS H 0.000 . 5.000 3.145 2.925 3.322 . 0 0 "[ . 1 . 2]" 1
161 1 14 GLN HG3 1 18 GLY QA 0.000 . 6.000 2.993 2.731 3.169 . 0 0 "[ . 1 . 2]" 1
162 1 14 GLN QG 1 18 GLY H 0.000 . 6.000 3.525 3.423 3.629 . 0 0 "[ . 1 . 2]" 1
163 1 14 GLN QE 1 18 GLY QA 0.000 . 7.000 2.951 2.019 4.410 . 0 0 "[ . 1 . 2]" 1
164 1 15 CYS H 1 15 CYS HB2 0.000 . 3.500 2.554 2.510 2.646 . 0 0 "[ . 1 . 2]" 1
165 1 15 CYS H 1 15 CYS HB3 0.000 . 2.700 2.561 2.524 2.592 . 0 0 "[ . 1 . 2]" 1
166 1 15 CYS H 1 18 GLY H 0.000 . 3.500 3.479 3.376 3.532 0.032 15 0 "[ . 1 . 2]" 1
167 1 15 CYS H 1 19 LYS H 0.000 . 3.500 3.520 3.503 3.543 0.043 5 0 "[ . 1 . 2]" 1
168 1 15 CYS H 1 20 CYS HA 0.000 . 3.500 3.080 2.745 3.532 0.032 2 0 "[ . 1 . 2]" 1
169 1 15 CYS HA 1 16 GLN H 0.000 . 2.700 2.386 2.352 2.432 . 0 0 "[ . 1 . 2]" 1
170 1 15 CYS HB2 1 16 GLN H 0.000 . 3.500 3.512 3.488 3.533 0.033 9 0 "[ . 1 . 2]" 1
171 1 15 CYS HB2 1 17 ASP H 0.000 . 3.500 3.710 3.689 3.726 0.226 4 0 "[ . 1 . 2]" 1
172 1 15 CYS HB2 1 18 GLY H 0.000 . 3.500 3.656 3.640 3.672 0.172 12 0 "[ . 1 . 2]" 1
173 1 15 CYS HB2 1 19 LYS H 0.000 . 3.500 3.335 3.258 3.469 . 0 0 "[ . 1 . 2]" 1
174 1 15 CYS HB2 1 19 LYS HB2 0.000 . 5.000 4.313 4.089 4.545 . 0 0 "[ . 1 . 2]" 1
175 1 15 CYS HB2 1 19 LYS HB3 0.000 . 5.000 2.685 2.437 2.954 . 0 0 "[ . 1 . 2]" 1
176 1 15 CYS HB3 1 16 GLN H 0.000 . 3.500 3.153 3.090 3.253 . 0 0 "[ . 1 . 2]" 1
177 1 15 CYS HB3 1 17 ASP H 0.000 . 3.500 2.594 2.555 2.667 . 0 0 "[ . 1 . 2]" 1
178 1 15 CYS HB3 1 18 GLY H 0.000 . 3.500 2.020 1.997 2.038 . 0 0 "[ . 1 . 2]" 1
179 1 15 CYS HB3 1 19 LYS H 0.000 . 3.500 2.033 1.944 2.136 . 0 0 "[ . 1 . 2]" 1
180 1 15 CYS HB3 1 19 LYS HB2 0.000 . 5.000 3.840 3.657 4.010 . 0 0 "[ . 1 . 2]" 1
181 1 15 CYS HB3 1 19 LYS HB3 0.000 . 5.000 2.723 2.577 2.926 . 0 0 "[ . 1 . 2]" 1
182 1 16 GLN H 1 16 GLN HB2 0.000 . 2.700 2.444 2.411 2.498 . 0 0 "[ . 1 . 2]" 1
183 1 16 GLN H 1 16 GLN HB3 0.000 . 2.700 2.424 2.256 2.479 . 0 0 "[ . 1 . 2]" 1
184 1 16 GLN H 1 17 ASP H 0.000 . 3.500 2.062 2.030 2.087 . 0 0 "[ . 1 . 2]" 1
185 1 16 GLN H 1 18 GLY H 0.000 . 5.000 3.346 3.302 3.385 . 0 0 "[ . 1 . 2]" 1
186 1 16 GLN H 1 37 SER HA 0.000 . 5.000 4.316 4.136 4.491 . 0 0 "[ . 1 . 2]" 1
187 1 16 GLN H 1 37 SER QB 0.000 . 4.500 2.119 1.872 2.418 . 0 0 "[ . 1 . 2]" 1
188 1 16 GLN HA 1 16 GLN HB2 0.000 . 2.700 2.564 2.506 2.588 . 0 0 "[ . 1 . 2]" 1
189 1 16 GLN HA 1 16 GLN HB3 0.000 . 2.700 2.966 2.959 2.974 0.274 14 0 "[ . 1 . 2]" 1
190 1 16 GLN HA 1 17 ASP H 0.000 . 3.500 3.378 3.341 3.416 . 0 0 "[ . 1 . 2]" 1
191 1 16 GLN HA 1 18 GLY H 0.000 . 3.500 3.665 3.641 3.687 0.187 17 0 "[ . 1 . 2]" 1
192 1 16 GLN HB2 1 17 ASP H 0.000 . 3.500 3.625 3.602 3.643 0.143 11 0 "[ . 1 . 2]" 1
193 1 16 GLN HB3 1 17 ASP H 0.000 . 3.500 2.522 2.424 2.596 . 0 0 "[ . 1 . 2]" 1
194 1 17 ASP H 1 17 ASP HA 0.000 . 2.700 2.857 2.842 2.870 0.170 11 0 "[ . 1 . 2]" 1
195 1 17 ASP H 1 17 ASP HB2 0.000 . 2.700 2.544 2.384 2.613 . 0 0 "[ . 1 . 2]" 1
196 1 17 ASP H 1 17 ASP HB3 0.000 . 2.700 2.367 2.336 2.438 . 0 0 "[ . 1 . 2]" 1
197 1 17 ASP H 1 18 GLY H 0.000 . 2.700 2.286 2.230 2.345 . 0 0 "[ . 1 . 2]" 1
198 1 17 ASP HA 1 17 ASP HB2 0.000 . 2.700 2.464 2.445 2.496 . 0 0 "[ . 1 . 2]" 1
199 1 17 ASP HA 1 17 ASP HB3 0.000 . 2.700 2.949 2.941 2.954 0.254 3 0 "[ . 1 . 2]" 1
200 1 17 ASP HA 1 18 GLY H 0.000 . 3.500 3.394 3.378 3.414 . 0 0 "[ . 1 . 2]" 1
201 1 17 ASP HB2 1 19 LYS HB2 0.000 . 5.000 4.815 4.568 5.030 0.030 9 0 "[ . 1 . 2]" 1
202 1 17 ASP HB2 1 19 LYS HB3 0.000 . 5.000 4.576 4.240 4.779 . 0 0 "[ . 1 . 2]" 1
203 1 17 ASP HB3 1 19 LYS HB2 0.000 . 5.000 3.334 3.105 3.546 . 0 0 "[ . 1 . 2]" 1
204 1 17 ASP HB3 1 19 LYS HB3 0.000 . 5.000 3.008 2.742 3.212 . 0 0 "[ . 1 . 2]" 1
205 1 18 GLY H 1 19 LYS H 0.000 . 2.700 2.415 2.348 2.481 . 0 0 "[ . 1 . 2]" 1
206 1 19 LYS H 1 19 LYS QB 0.000 . 3.700 2.207 2.159 2.253 . 0 0 "[ . 1 . 2]" 1
207 1 19 LYS H 1 19 LYS HG2 0.000 . 5.000 4.528 4.386 4.658 . 0 0 "[ . 1 . 2]" 1
208 1 19 LYS H 1 19 LYS HG3 0.000 . 5.000 4.471 4.436 4.502 . 0 0 "[ . 1 . 2]" 1
209 1 19 LYS H 1 20 CYS H 0.000 . 5.000 4.500 4.435 4.591 . 0 0 "[ . 1 . 2]" 1
210 1 19 LYS HA 1 20 CYS H 0.000 . 2.700 2.154 2.105 2.219 . 0 0 "[ . 1 . 2]" 1
211 1 19 LYS HB2 1 20 CYS H 0.000 . 5.000 4.351 4.206 4.495 . 0 0 "[ . 1 . 2]" 1
212 1 19 LYS HB3 1 20 CYS H 0.000 . 5.000 4.328 4.087 4.424 . 0 0 "[ . 1 . 2]" 1
213 1 19 LYS HG2 1 20 CYS H 0.000 . 5.000 4.050 2.723 4.958 . 0 0 "[ . 1 . 2]" 1
214 1 19 LYS HG3 1 20 CYS H 0.000 . 5.000 3.423 3.124 3.612 . 0 0 "[ . 1 . 2]" 1
215 1 20 CYS H 1 20 CYS HB2 0.000 . 3.500 2.846 2.786 2.932 . 0 0 "[ . 1 . 2]" 1
216 1 20 CYS H 1 20 CYS HB3 0.000 . 3.500 2.426 2.350 2.608 . 0 0 "[ . 1 . 2]" 1
217 1 20 CYS H 1 21 ILE H 0.000 . 5.000 4.437 4.351 4.490 . 0 0 "[ . 1 . 2]" 1
218 1 20 CYS HA 1 20 CYS HB2 0.000 . 2.700 2.373 2.339 2.460 . 0 0 "[ . 1 . 2]" 1
219 1 20 CYS HA 1 21 ILE H 0.000 . 2.700 1.998 1.965 2.038 . 0 0 "[ . 1 . 2]" 1
220 1 20 CYS HA 1 21 ILE MG 0.000 . 6.000 3.698 3.604 3.849 . 0 0 "[ . 1 . 2]" 1
221 1 20 CYS HA 1 21 ILE QG 0.000 . 6.000 3.469 3.314 3.614 . 0 0 "[ . 1 . 2]" 1
222 1 20 CYS HA 1 21 ILE MD 0.000 . 6.000 4.753 4.603 4.922 . 0 0 "[ . 1 . 2]" 1
223 1 20 CYS HB2 1 21 ILE H 0.000 . 5.000 3.992 3.842 4.129 . 0 0 "[ . 1 . 2]" 1
224 1 20 CYS HB2 1 21 ILE HA 0.000 . 6.000 5.804 5.708 5.889 . 0 0 "[ . 1 . 2]" 1
225 1 20 CYS HB3 1 21 ILE H 0.000 . 5.000 4.168 4.040 4.313 . 0 0 "[ . 1 . 2]" 1
226 1 20 CYS HB3 1 21 ILE HA 0.000 . 6.000 5.032 4.831 5.131 . 0 0 "[ . 1 . 2]" 1
227 1 21 ILE H 1 21 ILE MG 0.000 . 4.500 3.006 2.863 3.181 . 0 0 "[ . 1 . 2]" 1
228 1 21 ILE H 1 21 ILE QG 0.000 . 4.500 2.147 2.047 2.271 . 0 0 "[ . 1 . 2]" 1
229 1 21 ILE H 1 21 ILE MD 0.000 . 4.500 3.235 3.134 3.321 . 0 0 "[ . 1 . 2]" 1
230 1 21 ILE HA 1 21 ILE HB 0.000 . 2.700 2.444 2.423 2.474 . 0 0 "[ . 1 . 2]" 1
231 1 21 ILE HA 1 21 ILE MD 0.000 . 4.500 3.691 3.664 3.713 . 0 0 "[ . 1 . 2]" 1
232 1 21 ILE HA 1 22 SER H 0.000 . 2.700 2.247 2.191 2.307 . 0 0 "[ . 1 . 2]" 1
233 1 21 ILE HA 1 25 TRP HD1 0.000 . 5.000 5.118 5.041 5.171 0.171 5 0 "[ . 1 . 2]" 1
234 1 21 ILE HA 1 25 TRP HE3 0.000 . 5.000 4.296 3.973 4.704 . 0 0 "[ . 1 . 2]" 1
235 1 21 ILE HB 1 21 ILE MD 0.000 . 3.700 2.299 2.259 2.338 . 0 0 "[ . 1 . 2]" 1
236 1 21 ILE HB 1 22 SER H 0.000 . 2.700 2.841 2.817 2.869 0.169 11 0 "[ . 1 . 2]" 1
237 1 21 ILE HB 1 25 TRP HB2 0.000 . 3.500 2.432 2.228 2.735 . 0 0 "[ . 1 . 2]" 1
238 1 21 ILE HB 1 25 TRP HB3 0.000 . 3.500 2.672 2.278 3.103 . 0 0 "[ . 1 . 2]" 1
239 1 21 ILE HB 1 25 TRP HD1 0.000 . 5.000 4.443 4.336 4.552 . 0 0 "[ . 1 . 2]" 1
240 1 21 ILE HB 1 25 TRP HE3 0.000 . 3.500 2.455 2.241 2.726 . 0 0 "[ . 1 . 2]" 1
241 1 21 ILE QG 1 25 TRP HD1 0.000 . 7.000 6.075 5.942 6.172 . 0 0 "[ . 1 . 2]" 1
242 1 21 ILE QG 1 26 VAL MG1 0.000 . 7.400 3.429 3.392 3.478 . 0 0 "[ . 1 . 2]" 1
243 1 21 ILE QG 1 26 VAL MG2 0.000 . 7.400 5.552 5.501 5.598 . 0 0 "[ . 1 . 2]" 1
244 1 21 ILE MD 1 22 SER H 0.000 . 6.000 3.449 3.334 3.553 . 0 0 "[ . 1 . 2]" 1
245 1 21 ILE MD 1 23 TYR QE 0.000 . 8.000 5.517 5.036 5.897 . 0 0 "[ . 1 . 2]" 1
246 1 21 ILE MD 1 25 TRP H 0.000 . 6.000 3.674 3.613 3.750 . 0 0 "[ . 1 . 2]" 1
247 1 21 ILE MD 1 25 TRP HA 0.000 . 6.000 4.162 3.913 4.359 . 0 0 "[ . 1 . 2]" 1
248 1 21 ILE MD 1 25 TRP HB2 0.000 . 3.700 1.836 1.804 1.868 . 0 0 "[ . 1 . 2]" 1
249 1 21 ILE MD 1 25 TRP HB3 0.000 . 3.700 2.502 2.302 2.674 . 0 0 "[ . 1 . 2]" 1
250 1 21 ILE MD 1 25 TRP HD1 0.000 . 6.000 4.375 4.186 4.498 . 0 0 "[ . 1 . 2]" 1
251 1 21 ILE MD 1 25 TRP HE3 0.000 . 4.500 3.598 3.547 3.628 . 0 0 "[ . 1 . 2]" 1
252 1 21 ILE MD 1 26 VAL HA 0.000 . 6.000 3.314 3.208 3.419 . 0 0 "[ . 1 . 2]" 1
253 1 21 ILE MD 1 26 VAL MG1 0.000 . 5.500 1.799 1.745 1.851 . 0 0 "[ . 1 . 2]" 1
254 1 21 ILE MD 1 26 VAL MG2 0.000 . 5.500 3.683 3.603 3.772 . 0 0 "[ . 1 . 2]" 1
255 1 21 ILE MD 1 32 GLU H 0.000 . 6.000 4.864 4.831 4.891 . 0 0 "[ . 1 . 2]" 1
256 1 21 ILE MD 1 32 GLU HB2 0.000 . 6.000 3.728 3.635 3.806 . 0 0 "[ . 1 . 2]" 1
257 1 21 ILE MD 1 32 GLU HB3 0.000 . 6.000 4.733 4.601 4.812 . 0 0 "[ . 1 . 2]" 1
258 1 21 ILE MD 1 32 GLU QG 0.000 . 7.000 4.517 4.376 4.815 . 0 0 "[ . 1 . 2]" 1
259 1 21 ILE MD 1 38 ASP H 0.000 . 6.000 4.354 4.230 4.428 . 0 0 "[ . 1 . 2]" 1
260 1 21 ILE MD 1 38 ASP HA 0.000 . 4.500 3.456 3.268 3.561 . 0 0 "[ . 1 . 2]" 1
261 1 21 ILE MD 1 38 ASP HB2 0.000 . 4.500 2.500 2.402 2.655 . 0 0 "[ . 1 . 2]" 1
262 1 21 ILE MD 1 38 ASP HB3 0.000 . 6.000 1.999 1.937 2.117 . 0 0 "[ . 1 . 2]" 1
263 1 22 SER H 1 22 SER HB2 0.000 . 3.500 2.600 2.415 2.807 . 0 0 "[ . 1 . 2]" 1
264 1 22 SER H 1 22 SER HB3 0.000 . 3.500 3.082 2.527 3.629 0.129 2 0 "[ . 1 . 2]" 1
265 1 22 SER H 1 25 TRP HE1 0.000 . 5.000 3.276 2.882 3.564 . 0 0 "[ . 1 . 2]" 1
266 1 22 SER H 1 25 TRP HD1 0.000 . 3.500 3.090 2.900 3.193 . 0 0 "[ . 1 . 2]" 1
267 1 22 SER HA 1 23 TYR H 0.000 . 2.700 2.467 2.394 2.532 . 0 0 "[ . 1 . 2]" 1
268 1 22 SER HA 1 24 LYS H 0.000 . 5.000 4.421 4.275 4.690 . 0 0 "[ . 1 . 2]" 1
269 1 22 SER QB 1 25 TRP HD1 0.000 . 4.500 2.179 2.096 2.267 . 0 0 "[ . 1 . 2]" 1
270 1 22 SER QB 1 25 TRP HE1 0.000 . 6.000 2.690 2.376 3.009 . 0 0 "[ . 1 . 2]" 1
271 1 23 TYR H 1 23 TYR HB2 0.000 . 3.500 2.290 2.235 2.372 . 0 0 "[ . 1 . 2]" 1
272 1 23 TYR H 1 23 TYR HB3 0.000 . 3.500 3.548 3.523 3.577 0.077 13 0 "[ . 1 . 2]" 1
273 1 23 TYR H 1 24 LYS H 0.000 . 3.500 2.776 2.666 3.036 . 0 0 "[ . 1 . 2]" 1
274 1 23 TYR H 1 26 VAL QG 0.000 . 7.400 3.976 3.902 4.040 . 0 0 "[ . 1 . 2]" 1
275 1 23 TYR HA 1 26 VAL H 0.000 . 3.500 2.844 2.653 3.147 . 0 0 "[ . 1 . 2]" 1
276 1 23 TYR HB2 1 24 LYS H 0.000 . 3.500 2.903 2.773 3.032 . 0 0 "[ . 1 . 2]" 1
277 1 23 TYR HB2 1 25 TRP H 0.000 . 5.000 4.894 4.818 4.955 . 0 0 "[ . 1 . 2]" 1
278 1 23 TYR HB3 1 24 LYS H 0.000 . 3.500 3.562 3.470 3.629 0.129 12 0 "[ . 1 . 2]" 1
279 1 23 TYR HB3 1 25 TRP H 0.000 . 5.000 4.958 4.838 5.017 0.017 6 0 "[ . 1 . 2]" 1
280 1 23 TYR QD 1 26 VAL MG1 0.000 . 8.000 3.829 2.995 4.346 . 0 0 "[ . 1 . 2]" 1
281 1 23 TYR QD 1 26 VAL MG2 0.000 . 8.000 2.699 1.939 3.490 . 0 0 "[ . 1 . 2]" 1
282 1 23 TYR QE 1 26 VAL HB 0.000 . 7.000 5.974 5.345 6.552 . 0 0 "[ . 1 . 2]" 1
283 1 23 TYR QE 1 26 VAL MG1 0.000 . 8.000 4.332 3.629 4.799 . 0 0 "[ . 1 . 2]" 1
284 1 23 TYR QE 1 26 VAL MG2 0.000 . 8.000 3.727 3.224 4.299 . 0 0 "[ . 1 . 2]" 1
285 1 24 LYS H 1 24 LYS HB2 0.000 . 3.500 2.673 2.307 3.598 0.098 2 0 "[ . 1 . 2]" 1
286 1 24 LYS H 1 24 LYS HB3 0.000 . 3.500 3.050 2.479 3.595 0.095 17 0 "[ . 1 . 2]" 1
287 1 24 LYS H 1 24 LYS HG2 0.000 . 5.000 3.377 2.077 4.611 . 0 0 "[ . 1 . 2]" 1
288 1 24 LYS H 1 24 LYS HG3 0.000 . 5.000 3.413 1.961 4.522 . 0 0 "[ . 1 . 2]" 1
289 1 24 LYS H 1 25 TRP H 0.000 . 2.700 2.619 2.435 2.707 0.007 13 0 "[ . 1 . 2]" 1
290 1 24 LYS HA 1 24 LYS HB2 0.000 . 2.700 2.703 2.434 2.955 0.255 14 0 "[ . 1 . 2]" 1
291 1 24 LYS HA 1 24 LYS HB3 0.000 . 2.700 2.618 2.433 2.957 0.257 11 0 "[ . 1 . 2]" 1
292 1 24 LYS HB2 1 25 TRP H 0.000 . 5.000 3.469 2.815 4.198 . 0 0 "[ . 1 . 2]" 1
293 1 24 LYS HB2 1 25 TRP HD1 0.000 . 5.000 3.088 2.077 4.271 . 0 0 "[ . 1 . 2]" 1
294 1 24 LYS HB3 1 25 TRP H 0.000 . 5.000 3.642 2.769 4.258 . 0 0 "[ . 1 . 2]" 1
295 1 24 LYS HB3 1 25 TRP HD1 0.000 . 5.000 3.327 2.081 4.324 . 0 0 "[ . 1 . 2]" 1
296 1 25 TRP H 1 25 TRP HA 0.000 . 2.700 2.863 2.852 2.870 0.170 20 0 "[ . 1 . 2]" 1
297 1 25 TRP H 1 25 TRP HB2 0.000 . 3.500 2.494 2.447 2.555 . 0 0 "[ . 1 . 2]" 1
298 1 25 TRP H 1 25 TRP HB3 0.000 . 3.500 3.587 3.575 3.617 0.117 2 0 "[ . 1 . 2]" 1
299 1 25 TRP H 1 26 VAL H 0.000 . 2.700 2.477 2.334 2.663 . 0 0 "[ . 1 . 2]" 1
300 1 25 TRP H 1 26 VAL MG1 0.000 . 6.000 3.871 3.766 3.958 . 0 0 "[ . 1 . 2]" 1
301 1 25 TRP H 1 26 VAL MG2 0.000 . 6.000 3.899 3.731 4.024 . 0 0 "[ . 1 . 2]" 1
302 1 25 TRP HA 1 25 TRP HD1 0.000 . 3.500 3.519 3.501 3.557 0.057 13 0 "[ . 1 . 2]" 1
303 1 25 TRP HA 1 26 VAL H 0.000 . 3.500 3.549 3.445 3.582 0.082 18 0 "[ . 1 . 2]" 1
304 1 25 TRP HA 1 28 ASP HB2 0.000 . 5.000 4.785 4.399 5.037 0.037 12 0 "[ . 1 . 2]" 1
305 1 25 TRP HA 1 28 ASP HB3 0.000 . 5.000 3.782 3.359 4.280 . 0 0 "[ . 1 . 2]" 1
306 1 25 TRP HB2 1 25 TRP HE3 0.000 . 3.500 3.373 3.323 3.427 . 0 0 "[ . 1 . 2]" 1
307 1 25 TRP HB2 1 32 GLU HB2 0.000 . 5.000 4.290 4.212 4.367 . 0 0 "[ . 1 . 2]" 1
308 1 25 TRP HB2 1 32 GLU HB3 0.000 . 5.000 5.021 4.966 5.052 0.052 13 0 "[ . 1 . 2]" 1
309 1 25 TRP HB3 1 25 TRP HE3 0.000 . 3.500 2.151 2.131 2.188 . 0 0 "[ . 1 . 2]" 1
310 1 25 TRP HB3 1 32 GLU HB2 0.000 . 5.000 2.825 2.586 2.976 . 0 0 "[ . 1 . 2]" 1
311 1 25 TRP HB3 1 32 GLU HB3 0.000 . 5.000 3.474 3.299 3.600 . 0 0 "[ . 1 . 2]" 1
312 1 25 TRP HD1 1 26 VAL MG1 0.000 . 7.000 5.263 5.031 5.417 . 0 0 "[ . 1 . 2]" 1
313 1 25 TRP HD1 1 26 VAL MG2 0.000 . 7.000 5.607 5.468 5.651 . 0 0 "[ . 1 . 2]" 1
314 1 25 TRP HE3 1 32 GLU HA 0.000 . 5.000 4.438 4.393 4.490 . 0 0 "[ . 1 . 2]" 1
315 1 25 TRP HE3 1 32 GLU HB2 0.000 . 5.000 2.459 2.347 2.583 . 0 0 "[ . 1 . 2]" 1
316 1 25 TRP HE3 1 32 GLU HB3 0.000 . 5.000 2.020 1.988 2.052 . 0 0 "[ . 1 . 2]" 1
317 1 25 TRP HE3 1 32 GLU QG 0.000 . 3.700 2.695 2.404 3.244 . 0 0 "[ . 1 . 2]" 1
318 1 26 VAL H 1 26 VAL HB 0.000 . 3.500 3.659 3.633 3.714 0.214 14 0 "[ . 1 . 2]" 1
319 1 26 VAL H 1 27 CYS H 0.000 . 5.000 4.512 4.431 4.583 . 0 0 "[ . 1 . 2]" 1
320 1 26 VAL HA 1 27 CYS H 0.000 . 2.700 2.067 1.977 2.152 . 0 0 "[ . 1 . 2]" 1
321 1 26 VAL HA 1 28 ASP H 0.000 . 5.000 3.666 3.572 3.944 . 0 0 "[ . 1 . 2]" 1
322 1 26 VAL HA 1 38 ASP HA 0.000 . 5.000 3.712 3.554 3.858 . 0 0 "[ . 1 . 2]" 1
323 1 26 VAL HA 1 38 ASP HB2 0.000 . 3.500 1.924 1.881 1.965 . 0 0 "[ . 1 . 2]" 1
324 1 26 VAL HA 1 38 ASP HB3 0.000 . 3.500 3.584 3.562 3.611 0.111 17 0 "[ . 1 . 2]" 1
325 1 26 VAL HB 1 27 CYS H 0.000 . 3.500 2.701 2.555 2.831 . 0 0 "[ . 1 . 2]" 1
326 1 26 VAL HB 1 43 THR MG 0.000 . 4.500 2.513 2.222 2.927 . 0 0 "[ . 1 . 2]" 1
327 1 23 TYR HA 1 26 VAL MG1 0.000 . 4.500 2.613 2.330 2.866 . 0 0 "[ . 1 . 2]" 1
328 1 26 VAL MG1 1 27 CYS H 0.000 . 4.500 3.740 3.710 3.783 . 0 0 "[ . 1 . 2]" 1
329 1 26 VAL MG1 1 38 ASP HA 0.000 . 6.000 2.452 2.225 2.706 . 0 0 "[ . 1 . 2]" 1
330 1 26 VAL MG1 1 38 ASP HB2 0.000 . 6.000 2.016 1.942 2.051 . 0 0 "[ . 1 . 2]" 1
331 1 26 VAL MG1 1 38 ASP HB3 0.000 . 6.000 2.388 2.305 2.455 . 0 0 "[ . 1 . 2]" 1
332 1 26 VAL MG1 1 43 THR MG 0.000 . 7.000 2.295 2.035 2.738 . 0 0 "[ . 1 . 2]" 1
333 1 23 TYR HA 1 26 VAL MG2 0.000 . 4.500 1.920 1.866 1.981 . 0 0 "[ . 1 . 2]" 1
334 1 26 VAL MG2 1 27 CYS H 0.000 . 6.000 3.635 3.447 3.791 . 0 0 "[ . 1 . 2]" 1
335 1 26 VAL MG2 1 38 ASP HA 0.000 . 6.000 4.653 4.392 4.872 . 0 0 "[ . 1 . 2]" 1
336 1 26 VAL MG2 1 38 ASP HB2 0.000 . 6.000 4.269 4.161 4.317 . 0 0 "[ . 1 . 2]" 1
337 1 26 VAL MG2 1 38 ASP HB3 0.000 . 6.000 5.111 5.074 5.150 . 0 0 "[ . 1 . 2]" 1
338 1 26 VAL MG2 1 43 THR MG 0.000 . 7.000 2.071 1.843 2.843 . 0 0 "[ . 1 . 2]" 1
339 1 26 VAL QG 1 27 CYS HA 0.000 . 7.400 4.579 4.377 4.722 . 0 0 "[ . 1 . 2]" 1
340 1 26 VAL QG 1 27 CYS QB 0.000 . 8.400 2.938 2.566 3.746 . 0 0 "[ . 1 . 2]" 1
341 1 27 CYS H 1 27 CYS HA 0.000 . 2.700 2.301 2.263 2.327 . 0 0 "[ . 1 . 2]" 1
342 1 27 CYS H 1 27 CYS HB2 0.000 . 3.500 2.841 2.690 3.744 0.244 18 0 "[ . 1 . 2]" 1
343 1 27 CYS H 1 27 CYS HB3 0.000 . 3.500 3.365 2.692 3.526 0.026 7 0 "[ . 1 . 2]" 1
344 1 27 CYS H 1 28 ASP H 0.000 . 3.500 2.902 2.801 3.053 . 0 0 "[ . 1 . 2]" 1
345 1 27 CYS H 1 38 ASP HA 0.000 . 5.000 4.225 4.140 4.350 . 0 0 "[ . 1 . 2]" 1
346 1 27 CYS H 1 38 ASP HB2 0.000 . 5.000 3.378 3.254 3.465 . 0 0 "[ . 1 . 2]" 1
347 1 27 CYS H 1 38 ASP HB3 0.000 . 5.000 4.985 4.882 5.076 0.076 9 0 "[ . 1 . 2]" 1
348 1 27 CYS H 1 39 GLU HA 0.000 . 3.500 2.650 2.286 3.236 . 0 0 "[ . 1 . 2]" 1
349 1 27 CYS H 1 43 THR MG 0.000 . 6.000 4.472 3.984 4.978 . 0 0 "[ . 1 . 2]" 1
350 1 27 CYS HA 1 28 ASP H 0.000 . 2.700 2.741 2.646 2.795 0.095 9 0 "[ . 1 . 2]" 1
351 1 27 CYS HA 1 29 GLY H 0.000 . 3.500 3.177 2.956 3.516 0.016 17 0 "[ . 1 . 2]" 1
352 1 27 CYS QB 1 28 ASP H 0.000 . 6.000 3.839 3.793 3.953 . 0 0 "[ . 1 . 2]" 1
353 1 27 CYS QB 1 45 LEU QD 0.000 . 8.400 5.186 4.813 5.618 . 0 0 "[ . 1 . 2]" 1
354 1 28 ASP H 1 28 ASP HB2 0.000 . 3.500 3.599 3.559 3.652 0.152 9 0 "[ . 1 . 2]" 1
355 1 28 ASP H 1 28 ASP HB3 0.000 . 3.500 2.768 2.621 2.876 . 0 0 "[ . 1 . 2]" 1
356 1 28 ASP H 1 29 GLY H 0.000 . 2.700 2.517 2.153 2.724 0.024 5 0 "[ . 1 . 2]" 1
357 1 28 ASP H 1 30 SER H 0.000 . 3.500 3.353 3.050 3.561 0.061 19 0 "[ . 1 . 2]" 1
358 1 28 ASP H 1 31 ALA HA 0.000 . 6.000 5.854 5.669 6.017 0.017 1 0 "[ . 1 . 2]" 1
359 1 28 ASP HA 1 28 ASP HB2 0.000 . 2.700 2.483 2.439 2.527 . 0 0 "[ . 1 . 2]" 1
360 1 28 ASP HA 1 28 ASP HB3 0.000 . 2.700 2.455 2.397 2.519 . 0 0 "[ . 1 . 2]" 1
361 1 28 ASP HA 1 29 GLY H 0.000 . 3.500 3.202 2.959 3.469 . 0 0 "[ . 1 . 2]" 1
362 1 28 ASP HB2 1 29 GLY H 0.000 . 5.000 4.208 3.681 4.467 . 0 0 "[ . 1 . 2]" 1
363 1 28 ASP HB3 1 29 GLY H 0.000 . 5.000 4.317 3.754 4.563 . 0 0 "[ . 1 . 2]" 1
364 1 29 GLY H 1 29 GLY HA2 0.000 . 2.700 2.450 2.300 2.717 0.017 19 0 "[ . 1 . 2]" 1
365 1 29 GLY H 1 29 GLY HA3 0.000 . 2.700 2.881 2.816 2.933 0.233 1 0 "[ . 1 . 2]" 1
366 1 29 GLY H 1 30 SER H 0.000 . 2.700 2.364 1.646 2.755 0.055 20 0 "[ . 1 . 2]" 1
367 1 29 GLY HA2 1 30 SER H 0.000 . 3.500 3.331 3.063 3.493 . 0 0 "[ . 1 . 2]" 1
368 1 29 GLY HA3 1 30 SER H 0.000 . 3.500 3.145 2.912 3.401 . 0 0 "[ . 1 . 2]" 1
369 1 30 SER H 1 30 SER HB2 0.000 . 3.500 3.314 2.542 3.684 0.184 19 0 "[ . 1 . 2]" 1
370 1 30 SER H 1 30 SER HB3 0.000 . 3.500 2.887 2.653 3.707 0.207 20 0 "[ . 1 . 2]" 1
371 1 30 SER HA 1 31 ALA H 0.000 . 2.700 2.336 2.231 2.450 . 0 0 "[ . 1 . 2]" 1
372 1 30 SER HA 1 31 ALA MB 0.000 . 6.000 3.883 3.812 3.966 . 0 0 "[ . 1 . 2]" 1
373 1 30 SER HB2 1 31 ALA H 0.000 . 3.500 3.532 2.228 3.627 0.127 12 0 "[ . 1 . 2]" 1
374 1 30 SER HB3 1 31 ALA H 0.000 . 3.500 3.459 2.380 3.583 0.083 14 0 "[ . 1 . 2]" 1
375 1 31 ALA HA 1 32 GLU H 0.000 . 2.700 2.173 2.142 2.219 . 0 0 "[ . 1 . 2]" 1
376 1 31 ALA HA 1 38 ASP H 0.000 . 5.000 4.820 4.672 5.004 0.004 12 0 "[ . 1 . 2]" 1
377 1 31 ALA MB 1 32 GLU H 0.000 . 4.500 3.417 3.305 3.517 . 0 0 "[ . 1 . 2]" 1
378 1 31 ALA MB 1 33 CYS H 0.000 . 6.000 3.501 3.253 3.616 . 0 0 "[ . 1 . 2]" 1
379 1 31 ALA MB 1 36 GLY H 0.000 . 4.500 2.704 2.518 2.931 . 0 0 "[ . 1 . 2]" 1
380 1 31 ALA MB 1 36 GLY HA2 0.000 . 4.500 1.959 1.917 2.047 . 0 0 "[ . 1 . 2]" 1
381 1 31 ALA MB 1 36 GLY HA3 0.000 . 4.500 3.098 2.997 3.230 . 0 0 "[ . 1 . 2]" 1
382 1 31 ALA MB 1 37 SER H 0.000 . 6.000 4.155 4.016 4.359 . 0 0 "[ . 1 . 2]" 1
383 1 31 ALA MB 1 39 GLU QG 0.000 . 4.700 3.151 3.106 3.203 . 0 0 "[ . 1 . 2]" 1
384 1 32 GLU H 1 32 GLU HB3 0.000 . 3.500 3.573 3.554 3.599 0.099 9 0 "[ . 1 . 2]" 1
385 1 32 GLU H 1 32 GLU QG 0.000 . 4.500 3.405 3.331 3.533 . 0 0 "[ . 1 . 2]" 1
386 1 32 GLU H 1 33 CYS H 0.000 . 2.700 2.310 2.170 2.493 . 0 0 "[ . 1 . 2]" 1
387 1 32 GLU H 1 33 CYS HB2 0.000 . 5.000 4.690 4.540 4.865 . 0 0 "[ . 1 . 2]" 1
388 1 32 GLU H 1 33 CYS HB3 0.000 . 5.000 4.484 4.287 4.713 . 0 0 "[ . 1 . 2]" 1
389 1 32 GLU H 1 39 GLU QB 0.000 . 6.000 3.789 3.624 3.916 . 0 0 "[ . 1 . 2]" 1
390 1 32 GLU HA 1 32 GLU HB2 0.000 . 2.700 2.934 2.931 2.938 0.238 7 0 "[ . 1 . 2]" 1
391 1 32 GLU HA 1 32 GLU HB3 0.000 . 2.700 2.466 2.418 2.488 . 0 0 "[ . 1 . 2]" 1
392 1 32 GLU HA 1 33 CYS H 0.000 . 3.500 3.450 3.360 3.482 . 0 0 "[ . 1 . 2]" 1
393 1 32 GLU HB2 1 33 CYS H 0.000 . 5.000 2.955 2.773 3.251 . 0 0 "[ . 1 . 2]" 1
394 1 32 GLU HB3 1 33 CYS H 0.000 . 5.000 3.848 3.730 4.040 . 0 0 "[ . 1 . 2]" 1
395 1 32 GLU QG 1 33 CYS H 0.000 . 6.000 4.659 4.555 4.774 . 0 0 "[ . 1 . 2]" 1
396 1 33 CYS H 1 33 CYS HA 0.000 . 2.700 2.870 2.859 2.907 0.207 10 0 "[ . 1 . 2]" 1
397 1 33 CYS H 1 33 CYS HB2 0.000 . 3.500 2.709 2.651 2.820 . 0 0 "[ . 1 . 2]" 1
398 1 33 CYS H 1 33 CYS HB3 0.000 . 3.500 2.428 2.376 2.464 . 0 0 "[ . 1 . 2]" 1
399 1 33 CYS H 1 37 SER H 0.000 . 5.000 4.972 4.686 5.040 0.040 19 0 "[ . 1 . 2]" 1
400 1 33 CYS H 1 38 ASP H 0.000 . 5.000 4.126 3.940 4.226 . 0 0 "[ . 1 . 2]" 1
401 1 33 CYS HA 1 35 ASP H 0.000 . 5.000 4.596 4.348 4.841 . 0 0 "[ . 1 . 2]" 1
402 1 33 CYS HA 1 36 GLY H 0.000 . 6.000 5.355 5.140 5.603 . 0 0 "[ . 1 . 2]" 1
403 1 33 CYS HB2 1 38 ASP H 0.000 . 3.500 3.544 3.461 3.590 0.090 5 0 "[ . 1 . 2]" 1
404 1 33 CYS HB3 1 38 ASP H 0.000 . 3.500 3.257 3.013 3.325 . 0 0 "[ . 1 . 2]" 1
405 1 34 GLN H 1 34 GLN HA 0.000 . 2.700 2.309 2.243 2.331 . 0 0 "[ . 1 . 2]" 1
406 1 34 GLN HA 1 35 ASP H 0.000 . 2.700 2.748 2.615 2.841 0.141 14 0 "[ . 1 . 2]" 1
407 1 35 ASP H 1 35 ASP HA 0.000 . 2.700 2.897 2.855 2.916 0.216 5 0 "[ . 1 . 2]" 1
408 1 35 ASP H 1 35 ASP HB2 0.000 . 3.500 2.924 2.447 3.815 0.315 14 0 "[ . 1 . 2]" 1
409 1 35 ASP H 1 35 ASP HB3 0.000 . 3.500 2.987 2.490 3.690 0.190 17 0 "[ . 1 . 2]" 1
410 1 35 ASP H 1 36 GLY H 0.000 . 3.500 1.899 1.830 2.091 . 0 0 "[ . 1 . 2]" 1
411 1 35 ASP H 1 37 SER H 0.000 . 3.500 3.617 3.551 3.648 0.148 2 0 "[ . 1 . 2]" 1
412 1 35 ASP HA 1 35 ASP HB2 0.000 . 2.700 2.649 2.399 2.947 0.247 19 0 "[ . 1 . 2]" 1
413 1 35 ASP HA 1 35 ASP HB3 0.000 . 2.700 2.793 2.490 2.970 0.270 18 0 "[ . 1 . 2]" 1
414 1 35 ASP HA 1 36 GLY H 0.000 . 3.500 3.522 3.489 3.572 0.072 14 0 "[ . 1 . 2]" 1
415 1 35 ASP HB2 1 36 GLY H 0.000 . 3.500 3.093 2.262 3.545 0.045 20 0 "[ . 1 . 2]" 1
416 1 35 ASP HB3 1 36 GLY H 0.000 . 3.500 2.586 2.064 3.665 0.165 14 0 "[ . 1 . 2]" 1
417 1 35 ASP HB2 1 36 GLY QA 0.000 . 6.000 4.795 4.149 5.203 . 0 0 "[ . 1 . 2]" 1
418 1 35 ASP HB3 1 36 GLY QA 0.000 . 6.000 4.168 3.961 5.205 . 0 0 "[ . 1 . 2]" 1
419 1 36 GLY H 1 36 GLY HA2 0.000 . 2.700 2.442 2.398 2.572 . 0 0 "[ . 1 . 2]" 1
420 1 36 GLY H 1 36 GLY HA3 0.000 . 2.700 2.929 2.922 2.933 0.233 9 0 "[ . 1 . 2]" 1
421 1 36 GLY H 1 37 SER H 0.000 . 3.500 1.900 1.623 1.976 . 0 0 "[ . 1 . 2]" 1
422 1 36 GLY H 1 38 ASP H 0.000 . 3.500 3.683 3.633 3.803 0.303 14 0 "[ . 1 . 2]" 1
423 1 36 GLY H 1 40 SER QB 0.000 . 6.000 5.359 5.287 5.410 . 0 0 "[ . 1 . 2]" 1
424 1 36 GLY QA 1 37 SER H 0.000 . 3.700 2.856 2.832 2.878 . 0 0 "[ . 1 . 2]" 1
425 1 37 SER H 1 37 SER HB2 0.000 . 3.500 2.448 2.381 2.560 . 0 0 "[ . 1 . 2]" 1
426 1 37 SER H 1 37 SER HB3 0.000 . 3.500 2.712 2.523 3.572 0.072 2 0 "[ . 1 . 2]" 1
427 1 37 SER H 1 38 ASP H 0.000 . 3.500 2.950 2.853 3.071 . 0 0 "[ . 1 . 2]" 1
428 1 37 SER HA 1 39 GLU H 0.000 . 5.000 3.926 3.675 4.127 . 0 0 "[ . 1 . 2]" 1
429 1 37 SER HA 1 40 SER H 0.000 . 3.500 3.474 3.312 3.540 0.040 19 0 "[ . 1 . 2]" 1
430 1 37 SER QB 1 38 ASP H 0.000 . 4.500 2.023 1.931 2.129 . 0 0 "[ . 1 . 2]" 1
431 1 37 SER QB 1 39 GLU H 0.000 . 4.500 4.108 4.084 4.137 . 0 0 "[ . 1 . 2]" 1
432 1 38 ASP H 1 38 ASP HB2 0.000 . 3.500 3.578 3.553 3.597 0.097 9 0 "[ . 1 . 2]" 1
433 1 38 ASP H 1 38 ASP HB3 0.000 . 3.500 2.726 2.633 2.818 . 0 0 "[ . 1 . 2]" 1
434 1 38 ASP H 1 39 GLU H 0.000 . 2.700 2.597 2.532 2.678 . 0 0 "[ . 1 . 2]" 1
435 1 38 ASP H 1 39 GLU HB2 0.000 . 5.000 4.767 4.615 4.871 . 0 0 "[ . 1 . 2]" 1
436 1 38 ASP H 1 39 GLU HB3 0.000 . 5.000 4.782 4.705 4.852 . 0 0 "[ . 1 . 2]" 1
437 1 38 ASP H 1 40 SER H 0.000 . 5.000 4.078 3.960 4.160 . 0 0 "[ . 1 . 2]" 1
438 1 38 ASP HA 1 38 ASP HB2 0.000 . 2.700 2.527 2.499 2.556 . 0 0 "[ . 1 . 2]" 1
439 1 38 ASP HA 1 38 ASP HB3 0.000 . 2.700 2.398 2.351 2.439 . 0 0 "[ . 1 . 2]" 1
440 1 38 ASP HA 1 40 SER H 0.000 . 5.000 3.959 3.794 4.132 . 0 0 "[ . 1 . 2]" 1
441 1 38 ASP HA 1 43 THR MG 0.000 . 4.500 3.601 3.242 3.761 . 0 0 "[ . 1 . 2]" 1
442 1 38 ASP HB2 1 43 THR MG 0.000 . 6.000 4.702 4.458 4.869 . 0 0 "[ . 1 . 2]" 1
443 1 38 ASP HB3 1 43 THR MG 0.000 . 6.000 5.029 4.516 5.105 . 0 0 "[ . 1 . 2]" 1
444 1 39 GLU H 1 39 GLU HB2 0.000 . 3.500 2.749 2.665 2.848 . 0 0 "[ . 1 . 2]" 1
445 1 39 GLU H 1 39 GLU HB3 0.000 . 3.500 2.501 2.456 2.583 . 0 0 "[ . 1 . 2]" 1
446 1 39 GLU H 1 39 GLU QG 0.000 . 4.500 4.105 4.075 4.140 . 0 0 "[ . 1 . 2]" 1
447 1 39 GLU H 1 40 SER H 0.000 . 2.700 2.249 2.028 2.374 . 0 0 "[ . 1 . 2]" 1
448 1 39 GLU HA 1 40 SER H 0.000 . 5.000 3.250 3.212 3.281 . 0 0 "[ . 1 . 2]" 1
449 1 39 GLU HA 1 41 GLN H 0.000 . 3.500 3.355 3.198 3.530 0.030 7 0 "[ . 1 . 2]" 1
450 1 39 GLU HB2 1 40 SER H 0.000 . 5.000 4.296 4.254 4.343 . 0 0 "[ . 1 . 2]" 1
451 1 39 GLU HB3 1 40 SER H 0.000 . 3.500 3.545 3.510 3.567 0.067 2 0 "[ . 1 . 2]" 1
452 1 39 GLU QG 1 40 SER H 0.000 . 6.000 4.457 4.409 4.490 . 0 0 "[ . 1 . 2]" 1
453 1 40 SER H 1 40 SER HA 0.000 . 2.700 2.895 2.882 2.914 0.214 18 0 "[ . 1 . 2]" 1
454 1 40 SER H 1 40 SER QB 0.000 . 3.700 2.293 2.263 2.339 . 0 0 "[ . 1 . 2]" 1
455 1 40 SER H 1 43 THR MG 0.000 . 7.000 5.482 5.085 5.737 . 0 0 "[ . 1 . 2]" 1
456 1 40 SER HA 1 41 GLN H 0.000 . 2.700 2.769 2.718 2.829 0.129 5 0 "[ . 1 . 2]" 1
457 1 41 GLN H 1 41 GLN QB 0.000 . 3.700 2.946 2.675 3.342 . 0 0 "[ . 1 . 2]" 1
458 1 41 GLN H 1 41 GLN HG2 0.000 . 5.000 4.455 2.716 5.053 0.053 19 0 "[ . 1 . 2]" 1
459 1 41 GLN H 1 41 GLN HG3 0.000 . 5.000 4.135 2.407 4.993 . 0 0 "[ . 1 . 2]" 1
460 1 41 GLN H 1 42 GLU H 0.000 . 3.500 2.957 2.680 3.332 . 0 0 "[ . 1 . 2]" 1
461 1 41 GLN HA 1 41 GLN QG 0.000 . 3.700 2.578 2.351 3.393 . 0 0 "[ . 1 . 2]" 1
462 1 41 GLN HA 1 43 THR H 0.000 . 3.500 3.463 3.143 3.557 0.057 8 0 "[ . 1 . 2]" 1
463 1 41 GLN HA 1 44 CYS HB3 0.000 . 3.500 2.993 2.002 3.577 0.077 7 0 "[ . 1 . 2]" 1
464 1 41 GLN QG 1 45 LEU QD 0.000 . 6.900 3.733 2.033 4.502 . 0 0 "[ . 1 . 2]" 1
465 1 42 GLU H 1 42 GLU HB2 0.000 . 3.500 2.375 2.229 2.641 . 0 0 "[ . 1 . 2]" 1
466 1 42 GLU H 1 42 GLU HB3 0.000 . 3.500 3.157 2.441 3.636 0.136 5 0 "[ . 1 . 2]" 1
467 1 42 GLU H 1 42 GLU HG2 0.000 . 5.000 3.631 2.004 4.608 . 0 0 "[ . 1 . 2]" 1
468 1 42 GLU H 1 42 GLU HG3 0.000 . 5.000 3.581 2.028 4.703 . 0 0 "[ . 1 . 2]" 1
469 1 42 GLU H 1 43 THR H 0.000 . 3.500 2.541 1.968 2.935 . 0 0 "[ . 1 . 2]" 1
470 1 42 GLU HA 1 42 GLU HB2 0.000 . 2.700 2.756 2.470 2.938 0.238 6 0 "[ . 1 . 2]" 1
471 1 42 GLU HA 1 42 GLU HB3 0.000 . 2.700 2.671 2.429 2.950 0.250 3 0 "[ . 1 . 2]" 1
472 1 42 GLU HA 1 42 GLU HG2 0.000 . 3.500 2.869 2.345 3.616 0.116 10 0 "[ . 1 . 2]" 1
473 1 42 GLU HA 1 42 GLU HG3 0.000 . 3.500 3.063 2.357 3.615 0.115 13 0 "[ . 1 . 2]" 1
474 1 42 GLU HA 1 43 THR H 0.000 . 3.500 3.436 3.354 3.508 0.008 12 0 "[ . 1 . 2]" 1
475 1 42 GLU HB2 1 43 THR H 0.000 . 3.500 2.980 2.462 3.608 0.108 3 0 "[ . 1 . 2]" 1
476 1 42 GLU HB3 1 43 THR H 0.000 . 3.500 3.086 2.242 3.592 0.092 4 0 "[ . 1 . 2]" 1
477 1 43 THR H 1 43 THR HB 0.000 . 3.500 3.304 2.982 3.606 0.106 17 0 "[ . 1 . 2]" 1
478 1 43 THR H 1 44 CYS H 0.000 . 3.500 2.884 1.930 3.841 0.341 12 0 "[ . 1 . 2]" 1
479 1 43 THR HA 1 43 THR MG 0.000 . 3.700 3.205 2.484 3.276 . 0 0 "[ . 1 . 2]" 1
480 1 43 THR HA 1 44 CYS H 0.000 . 3.500 2.991 2.193 3.428 . 0 0 "[ . 1 . 2]" 1
481 1 43 THR HB 1 44 CYS H 0.000 . 5.000 4.030 1.880 4.687 . 0 0 "[ . 1 . 2]" 1
482 1 43 THR HB 1 45 LEU H 0.000 . 5.000 4.969 3.276 5.181 0.181 18 0 "[ . 1 . 2]" 1
483 1 43 THR MG 1 44 CYS H 0.000 . 6.000 3.027 1.645 4.280 . 0 0 "[ . 1 . 2]" 1
484 1 43 THR MG 1 44 CYS HA 0.000 . 6.000 3.754 3.174 5.164 . 0 0 "[ . 1 . 2]" 1
485 1 44 CYS H 1 44 CYS HB2 0.000 . 3.500 2.758 2.201 3.315 . 0 0 "[ . 1 . 2]" 1
486 1 44 CYS H 1 44 CYS HB3 0.000 . 3.500 3.078 2.562 3.724 0.224 16 0 "[ . 1 . 2]" 1
487 1 44 CYS H 1 45 LEU H 0.000 . 2.700 2.624 1.856 2.764 0.064 8 0 "[ . 1 . 2]" 1
488 1 44 CYS HA 1 44 CYS HB2 0.000 . 2.700 2.576 2.420 2.908 0.208 7 0 "[ . 1 . 2]" 1
489 1 44 CYS HA 1 45 LEU H 0.000 . 3.500 3.055 2.644 3.336 . 0 0 "[ . 1 . 2]" 1
490 1 44 CYS HA 1 46 SER H 0.000 . 5.000 3.878 3.216 5.136 0.136 4 0 "[ . 1 . 2]" 1
491 1 44 CYS HA 1 47 VAL QG 0.000 . 7.400 4.011 2.332 5.552 . 0 0 "[ . 1 . 2]" 1
492 1 45 LEU H 1 45 LEU HB2 0.000 . 3.500 2.632 2.335 3.666 0.166 8 0 "[ . 1 . 2]" 1
493 1 45 LEU H 1 45 LEU HB3 0.000 . 3.500 3.496 2.829 3.646 0.146 10 0 "[ . 1 . 2]" 1
494 1 45 LEU H 1 49 CYS HB2 0.000 . 5.000 4.956 4.143 5.112 0.112 17 0 "[ . 1 . 2]" 1
495 1 45 LEU H 1 49 CYS HB3 0.000 . 5.000 4.750 3.698 5.134 0.134 13 0 "[ . 1 . 2]" 1
496 1 45 LEU HA 1 46 SER H 0.000 . 3.500 3.048 1.953 3.515 0.015 17 0 "[ . 1 . 2]" 1
497 1 45 LEU HA 1 51 SER QB 0.000 . 6.000 4.885 3.769 5.409 . 0 0 "[ . 1 . 2]" 1
498 1 45 LEU HB2 1 46 SER H 0.000 . 5.000 3.567 1.854 4.441 . 0 0 "[ . 1 . 2]" 1
499 1 45 LEU HB3 1 46 SER H 0.000 . 5.000 3.937 2.212 4.556 . 0 0 "[ . 1 . 2]" 1
500 1 45 LEU MD1 1 46 SER H 0.000 . 6.000 4.152 2.550 4.743 . 0 0 "[ . 1 . 2]" 1
501 1 45 LEU MD2 1 46 SER H 0.000 . 6.000 4.294 2.673 5.102 . 0 0 "[ . 1 . 2]" 1
502 1 46 SER H 1 46 SER QB 0.000 . 3.700 2.741 2.337 3.423 . 0 0 "[ . 1 . 2]" 1
503 1 46 SER HA 1 47 VAL H 0.000 . 3.500 2.965 2.174 3.546 0.046 3 0 "[ . 1 . 2]" 1
504 1 46 SER HA 1 47 VAL QG 0.000 . 7.400 4.271 3.477 4.836 . 0 0 "[ . 1 . 2]" 1
505 1 47 VAL H 1 47 VAL HA 0.000 . 2.700 2.569 2.257 2.863 0.163 6 0 "[ . 1 . 2]" 1
506 1 47 VAL H 1 47 VAL HB 0.000 . 3.500 2.937 2.420 3.560 0.060 10 0 "[ . 1 . 2]" 1
507 1 47 VAL HA 1 47 VAL HB 0.000 . 2.700 2.499 2.399 2.969 0.269 8 0 "[ . 1 . 2]" 1
508 1 47 VAL QG 1 48 THR HA 0.000 . 7.400 4.136 3.017 4.742 . 0 0 "[ . 1 . 2]" 1
509 1 47 VAL QG 1 49 CYS H 0.000 . 7.400 4.294 3.217 4.884 . 0 0 "[ . 1 . 2]" 1
510 1 47 VAL QG 1 49 CYS QB 0.000 . 7.900 4.612 2.089 5.205 . 0 0 "[ . 1 . 2]" 1
511 1 48 THR H 1 48 THR HA 0.000 . 2.700 2.517 2.285 2.907 0.207 8 0 "[ . 1 . 2]" 1
512 1 48 THR H 1 48 THR HB 0.000 . 3.500 3.260 2.463 3.799 0.299 15 0 "[ . 1 . 2]" 1
513 1 48 THR H 1 49 CYS H 0.000 . 5.000 3.162 2.394 4.170 . 0 0 "[ . 1 . 2]" 1
514 1 48 THR HA 1 49 CYS H 0.000 . 2.700 2.504 2.167 2.796 0.096 14 0 "[ . 1 . 2]" 1
515 1 48 THR MG 1 49 CYS H 0.000 . 6.000 4.038 3.386 4.398 . 0 0 "[ . 1 . 2]" 1
516 1 49 CYS H 1 49 CYS HB2 0.000 . 3.500 3.470 2.476 3.773 0.273 14 0 "[ . 1 . 2]" 1
517 1 49 CYS H 1 49 CYS HB3 0.000 . 3.500 2.648 2.306 3.737 0.237 12 0 "[ . 1 . 2]" 1
518 1 49 CYS H 1 50 LYS H 0.000 . 5.000 4.396 3.097 4.588 . 0 0 "[ . 1 . 2]" 1
519 1 49 CYS HA 1 50 LYS H 0.000 . 3.500 2.562 2.307 3.512 0.012 15 0 "[ . 1 . 2]" 1
520 1 49 CYS HB2 1 50 LYS H 0.000 . 3.500 2.401 1.856 3.627 0.127 16 0 "[ . 1 . 2]" 1
521 1 49 CYS HB3 1 50 LYS H 0.000 . 3.500 3.401 2.330 3.610 0.110 18 0 "[ . 1 . 2]" 1
522 1 50 LYS H 1 50 LYS HB2 0.000 . 3.500 3.230 2.345 3.766 0.266 16 0 "[ . 1 . 2]" 1
523 1 50 LYS H 1 50 LYS HB3 0.000 . 3.500 3.084 2.544 3.580 0.080 14 0 "[ . 1 . 2]" 1
524 1 50 LYS H 1 50 LYS QG 0.000 . 4.500 3.817 1.816 4.229 . 0 0 "[ . 1 . 2]" 1
525 1 50 LYS HA 1 50 LYS QG 0.000 . 3.700 2.550 2.345 3.365 . 0 0 "[ . 1 . 2]" 1
526 1 50 LYS HA 1 51 SER H 0.000 . 2.700 2.327 2.047 2.827 0.127 17 0 "[ . 1 . 2]" 1
527 1 51 SER H 1 52 GLY H 0.000 . 2.700 2.507 2.060 2.902 0.202 12 0 "[ . 1 . 2]" 1
528 1 51 SER HA 1 52 GLY H 0.000 . 2.700 2.708 2.416 2.827 0.127 12 0 "[ . 1 . 2]" 1
529 1 51 SER HA 1 53 ASP H 0.000 . 5.000 4.343 3.828 5.053 0.053 8 0 "[ . 1 . 2]" 1
530 1 51 SER QB 1 53 ASP H 0.000 . 6.000 4.326 3.103 5.438 . 0 0 "[ . 1 . 2]" 1
531 1 52 GLY H 1 53 ASP H 0.000 . 3.500 2.555 1.779 3.093 . 0 0 "[ . 1 . 2]" 1
532 1 52 GLY HA2 1 53 ASP H 0.000 . 3.500 3.127 2.599 3.521 0.021 9 0 "[ . 1 . 2]" 1
533 1 52 GLY HA3 1 53 ASP H 0.000 . 3.500 3.345 2.823 3.540 0.040 8 0 "[ . 1 . 2]" 1
534 1 53 ASP H 1 53 ASP HB2 0.000 . 3.500 2.452 2.333 2.580 . 0 0 "[ . 1 . 2]" 1
535 1 53 ASP H 1 53 ASP HB3 0.000 . 3.500 3.594 3.557 3.663 0.163 17 0 "[ . 1 . 2]" 1
536 1 53 ASP H 1 54 PHE H 0.000 . 5.000 4.516 4.231 4.594 . 0 0 "[ . 1 . 2]" 1
537 1 53 ASP HA 1 54 PHE H 0.000 . 2.700 2.395 2.181 2.757 0.057 4 0 "[ . 1 . 2]" 1
538 1 53 ASP HA 1 66 GLN H 0.000 . 3.500 2.907 2.281 3.617 0.117 8 0 "[ . 1 . 2]" 1
539 1 53 ASP HB2 1 54 PHE H 0.000 . 3.500 3.450 2.890 3.595 0.095 7 0 "[ . 1 . 2]" 1
540 1 53 ASP HB3 1 54 PHE H 0.000 . 3.500 2.327 1.788 2.598 . 0 0 "[ . 1 . 2]" 1
541 1 53 ASP QB 1 64 ILE H 0.000 . 4.500 3.324 2.607 3.916 . 0 0 "[ . 1 . 2]" 1
542 1 54 PHE H 1 54 PHE HA 0.000 . 2.700 2.859 2.753 2.914 0.214 20 0 "[ . 1 . 2]" 1
543 1 54 PHE H 1 63 CYS HA 0.000 . 5.000 4.730 3.563 5.065 0.065 10 0 "[ . 1 . 2]" 1
544 1 54 PHE H 1 64 ILE H 0.000 . 3.500 3.320 2.274 3.626 0.126 2 0 "[ . 1 . 2]" 1
545 1 54 PHE H 1 64 ILE HG12 0.000 . 6.000 5.198 4.377 5.510 . 0 0 "[ . 1 . 2]" 1
546 1 54 PHE H 1 64 ILE HG13 0.000 . 6.000 5.860 5.301 6.097 0.097 4 0 "[ . 1 . 2]" 1
547 1 54 PHE H 1 65 PRO HA 0.000 . 5.000 3.845 3.490 4.410 . 0 0 "[ . 1 . 2]" 1
548 1 54 PHE H 1 66 GLN H 0.000 . 5.000 3.373 2.517 4.275 . 0 0 "[ . 1 . 2]" 1
549 1 54 PHE H 1 66 GLN HA 0.000 . 5.000 3.372 2.833 4.174 . 0 0 "[ . 1 . 2]" 1
550 1 54 PHE HA 1 54 PHE HB2 0.000 . 2.700 2.412 2.331 2.491 . 0 0 "[ . 1 . 2]" 1
551 1 54 PHE HA 1 54 PHE HB3 0.000 . 2.700 2.944 2.931 2.957 0.257 7 0 "[ . 1 . 2]" 1
552 1 54 PHE HA 1 55 SER H 0.000 . 2.700 2.346 2.238 2.487 . 0 0 "[ . 1 . 2]" 1
553 1 54 PHE QB 1 64 ILE H 0.000 . 6.000 3.092 2.685 3.550 . 0 0 "[ . 1 . 2]" 1
554 1 54 PHE QB 1 64 ILE HG13 0.000 . 4.500 3.849 3.785 3.941 . 0 0 "[ . 1 . 2]" 1
555 1 54 PHE QB 1 64 ILE HG12 0.000 . 4.500 3.743 3.623 3.824 . 0 0 "[ . 1 . 2]" 1
556 1 54 PHE HB2 1 66 GLN HA 0.000 . 3.500 2.851 2.369 3.339 . 0 0 "[ . 1 . 2]" 1
557 1 54 PHE HB3 1 66 GLN HA 0.000 . 3.500 3.541 3.181 3.655 0.155 10 0 "[ . 1 . 2]" 1
558 1 54 PHE QD 1 55 SER H 0.000 . 7.000 3.659 2.663 4.602 . 0 0 "[ . 1 . 2]" 1
559 1 54 PHE QD 1 56 CYS H 0.000 . 7.000 4.132 3.297 5.038 . 0 0 "[ . 1 . 2]" 1
560 1 54 PHE QD 1 56 CYS HA 0.000 . 4.700 4.114 3.462 4.599 . 0 0 "[ . 1 . 2]" 1
561 1 54 PHE QD 1 64 ILE H 0.000 . 7.000 3.597 2.345 4.262 . 0 0 "[ . 1 . 2]" 1
562 1 54 PHE QD 1 64 ILE HB 0.000 . 7.000 2.042 1.873 2.177 . 0 0 "[ . 1 . 2]" 1
563 1 54 PHE QD 1 64 ILE MG 0.000 . 6.500 2.804 2.138 3.621 . 0 0 "[ . 1 . 2]" 1
564 1 54 PHE QD 1 64 ILE QG 0.000 . 6.500 2.121 1.947 2.455 . 0 0 "[ . 1 . 2]" 1
565 1 54 PHE QD 1 64 ILE MD 0.000 . 8.000 3.831 3.720 4.054 . 0 0 "[ . 1 . 2]" 1
566 1 54 PHE QD 1 81 ASP HB2 0.000 . 7.000 4.068 3.591 4.633 . 0 0 "[ . 1 . 2]" 1
567 1 54 PHE QD 1 81 ASP HB3 0.000 . 7.000 3.046 2.463 3.667 . 0 0 "[ . 1 . 2]" 1
568 1 54 PHE QE 1 56 CYS H 0.000 . 7.000 4.305 2.846 5.186 . 0 0 "[ . 1 . 2]" 1
569 1 54 PHE QE 1 56 CYS HA 0.000 . 5.500 2.961 2.030 4.032 . 0 0 "[ . 1 . 2]" 1
570 1 54 PHE QE 1 64 ILE MG 0.000 . 8.000 3.934 3.475 4.380 . 0 0 "[ . 1 . 2]" 1
571 1 54 PHE QE 1 64 ILE QG 0.000 . 8.000 2.890 2.474 3.140 . 0 0 "[ . 1 . 2]" 1
572 1 54 PHE QE 1 80 SER H 0.000 . 7.000 4.063 3.521 4.837 . 0 0 "[ . 1 . 2]" 1
573 1 54 PHE QE 1 81 ASP H 0.000 . 4.700 3.965 3.539 4.506 . 0 0 "[ . 1 . 2]" 1
574 1 54 PHE QE 1 81 ASP HA 0.000 . 4.700 3.585 2.318 4.333 . 0 0 "[ . 1 . 2]" 1
575 1 54 PHE QE 1 81 ASP HB2 0.000 . 4.700 3.962 3.524 4.465 . 0 0 "[ . 1 . 2]" 1
576 1 54 PHE QE 1 81 ASP HB3 0.000 . 4.700 2.575 2.026 3.218 . 0 0 "[ . 1 . 2]" 1
577 1 54 PHE HZ 1 64 ILE QG 0.000 . 6.000 4.821 4.184 5.263 . 0 0 "[ . 1 . 2]" 1
578 1 54 PHE HZ 1 64 ILE MG 0.000 . 7.000 5.643 5.407 5.727 . 0 0 "[ . 1 . 2]" 1
579 1 54 PHE HZ 1 79 GLY QA 0.000 . 6.000 5.088 4.084 5.389 . 0 0 "[ . 1 . 2]" 1
580 1 54 PHE HZ 1 80 SER HA 0.000 . 5.000 4.175 3.874 4.938 . 0 0 "[ . 1 . 2]" 1
581 1 55 SER H 1 56 CYS H 0.000 . 5.000 4.286 3.929 4.491 . 0 0 "[ . 1 . 2]" 1
582 1 55 SER H 1 64 ILE H 0.000 . 5.000 4.250 3.977 4.663 . 0 0 "[ . 1 . 2]" 1
583 1 55 SER HA 1 56 CYS H 0.000 . 2.700 2.155 2.119 2.215 . 0 0 "[ . 1 . 2]" 1
584 1 55 SER HA 1 57 GLY H 0.000 . 5.000 4.073 3.584 4.616 . 0 0 "[ . 1 . 2]" 1
585 1 55 SER HA 1 63 CYS HA 0.000 . 3.500 2.132 1.946 2.481 . 0 0 "[ . 1 . 2]" 1
586 1 55 SER HA 1 64 ILE MD 0.000 . 6.000 4.903 4.649 5.000 . 0 0 "[ . 1 . 2]" 1
587 1 55 SER QB 1 56 CYS H 0.000 . 4.500 3.654 3.388 3.975 . 0 0 "[ . 1 . 2]" 1
588 1 56 CYS H 1 56 CYS HB2 0.000 . 2.700 2.547 2.283 2.707 0.007 18 0 "[ . 1 . 2]" 1
589 1 56 CYS H 1 57 GLY H 0.000 . 3.500 2.805 2.388 3.154 . 0 0 "[ . 1 . 2]" 1
590 1 56 CYS H 1 61 ASN HA 0.000 . 5.000 4.793 3.898 5.059 0.059 13 0 "[ . 1 . 2]" 1
591 1 56 CYS H 1 62 ARG H 0.000 . 3.500 3.408 3.191 3.548 0.048 12 0 "[ . 1 . 2]" 1
592 1 56 CYS H 1 62 ARG HA 0.000 . 5.000 4.986 4.683 5.087 0.087 1 0 "[ . 1 . 2]" 1
593 1 56 CYS H 1 62 ARG QB 0.000 . 6.000 3.969 3.331 4.548 . 0 0 "[ . 1 . 2]" 1
594 1 56 CYS H 1 63 CYS HA 0.000 . 3.500 3.573 3.509 3.645 0.145 9 0 "[ . 1 . 2]" 1
595 1 56 CYS HA 1 57 GLY H 0.000 . 3.500 3.518 3.438 3.582 0.082 15 0 "[ . 1 . 2]" 1
596 1 56 CYS HA 1 56 CYS HB3 0.000 . 2.700 2.537 2.452 2.929 0.229 8 0 "[ . 1 . 2]" 1
597 1 56 CYS HB2 1 57 GLY H 0.000 . 5.000 2.438 2.006 3.487 . 0 0 "[ . 1 . 2]" 1
598 1 56 CYS QB 1 59 ARG HG2 0.000 . 4.500 3.633 2.538 4.093 . 0 0 "[ . 1 . 2]" 1
599 1 56 CYS QB 1 59 ARG HG3 0.000 . 4.500 3.688 2.330 4.114 . 0 0 "[ . 1 . 2]" 1
600 1 56 CYS HB3 1 57 GLY H 0.000 . 5.000 3.344 2.287 3.651 . 0 0 "[ . 1 . 2]" 1
601 1 56 CYS QB 1 57 GLY QA 0.000 . 4.700 3.746 3.548 3.979 . 0 0 "[ . 1 . 2]" 1
602 1 57 GLY H 1 57 GLY HA2 0.000 . 2.700 2.413 2.272 2.778 0.078 20 0 "[ . 1 . 2]" 1
603 1 57 GLY H 1 57 GLY HA3 0.000 . 2.700 2.802 2.751 2.866 0.166 17 0 "[ . 1 . 2]" 1
604 1 57 GLY H 1 60 VAL QG 0.000 . 7.400 3.355 2.421 4.174 . 0 0 "[ . 1 . 2]" 1
605 1 57 GLY H 1 61 ASN HA 0.000 . 3.500 3.079 2.053 3.600 0.100 17 0 "[ . 1 . 2]" 1
606 1 57 GLY H 1 62 ARG H 0.000 . 3.500 3.003 2.392 3.584 0.084 20 0 "[ . 1 . 2]" 1
607 1 57 GLY HA2 1 58 GLY H 0.000 . 3.500 2.676 2.302 3.531 0.031 5 0 "[ . 1 . 2]" 1
608 1 57 GLY HA3 1 58 GLY H 0.000 . 3.500 2.455 2.220 2.856 . 0 0 "[ . 1 . 2]" 1
609 1 58 GLY H 1 60 VAL QG 0.000 . 7.400 5.259 4.700 5.554 . 0 0 "[ . 1 . 2]" 1
610 1 58 GLY QA 1 59 ARG H 0.000 . 4.500 2.310 2.084 2.781 . 0 0 "[ . 1 . 2]" 1
611 1 58 GLY QA 1 60 VAL H 0.000 . 4.500 4.003 3.694 4.119 . 0 0 "[ . 1 . 2]" 1
612 1 59 ARG H 1 59 ARG QB 0.000 . 3.700 2.494 2.400 2.578 . 0 0 "[ . 1 . 2]" 1
613 1 59 ARG H 1 59 ARG HG2 0.000 . 5.000 2.118 1.904 3.296 . 0 0 "[ . 1 . 2]" 1
614 1 59 ARG H 1 59 ARG HG3 0.000 . 5.000 3.350 3.097 3.891 . 0 0 "[ . 1 . 2]" 1
615 1 59 ARG H 1 60 VAL H 0.000 . 3.500 2.813 2.521 3.228 . 0 0 "[ . 1 . 2]" 1
616 1 59 ARG HA 1 59 ARG QG 0.000 . 3.700 3.380 3.342 3.481 . 0 0 "[ . 1 . 2]" 1
617 1 59 ARG QB 1 60 VAL H 0.000 . 4.500 3.358 3.189 3.630 . 0 0 "[ . 1 . 2]" 1
618 1 59 ARG QB 1 60 VAL HA 0.000 . 6.000 4.782 4.622 4.880 . 0 0 "[ . 1 . 2]" 1
619 1 59 ARG HG3 1 60 VAL H 0.000 . 5.000 2.293 1.855 3.670 . 0 0 "[ . 1 . 2]" 1
620 1 59 ARG HG2 1 60 VAL H 0.000 . 5.000 2.335 1.789 2.788 . 0 0 "[ . 1 . 2]" 1
621 1 60 VAL H 1 60 VAL HB 0.000 . 3.500 3.744 3.443 3.818 0.318 1 0 "[ . 1 . 2]" 1
622 1 60 VAL HA 1 60 VAL HB 0.000 . 2.700 2.414 2.380 2.480 . 0 0 "[ . 1 . 2]" 1
623 1 60 VAL HA 1 61 ASN H 0.000 . 2.700 2.326 2.069 2.772 0.072 6 0 "[ . 1 . 2]" 1
624 1 60 VAL HB 1 61 ASN H 0.000 . 3.500 2.858 1.765 3.685 0.185 3 0 "[ . 1 . 2]" 1
625 1 60 VAL HB 1 62 ARG H 0.000 . 5.000 4.064 2.912 4.998 . 0 0 "[ . 1 . 2]" 1
626 1 60 VAL QG 1 61 ASN H 0.000 . 7.400 3.098 1.799 3.678 . 0 0 "[ . 1 . 2]" 1
627 1 60 VAL QG 1 62 ARG H 0.000 . 7.400 2.745 1.795 3.367 . 0 0 "[ . 1 . 2]" 1
628 1 61 ASN H 1 61 ASN HB2 0.000 . 3.500 3.148 2.746 3.604 0.104 5 0 "[ . 1 . 2]" 1
629 1 61 ASN H 1 61 ASN HB3 0.000 . 3.500 2.669 2.448 3.057 . 0 0 "[ . 1 . 2]" 1
630 1 61 ASN H 1 62 ARG H 0.000 . 3.500 3.467 2.758 3.772 0.272 17 0 "[ . 1 . 2]" 1
631 1 61 ASN HA 1 61 ASN HB2 0.000 . 2.700 2.521 2.481 2.551 . 0 0 "[ . 1 . 2]" 1
632 1 61 ASN HA 1 62 ARG H 0.000 . 2.700 2.399 2.089 2.777 0.077 5 0 "[ . 1 . 2]" 1
633 1 61 ASN QB 1 62 ARG H 0.000 . 4.500 4.021 3.903 4.067 . 0 0 "[ . 1 . 2]" 1
634 1 61 ASN QB 1 62 ARG QB 0.000 . 7.000 4.786 4.293 5.368 . 0 0 "[ . 1 . 2]" 1
635 1 61 ASN QD 1 62 ARG HE 0.000 . 6.000 5.222 4.602 5.435 . 0 0 "[ . 1 . 2]" 1
636 1 62 ARG H 1 62 ARG HA 0.000 . 2.700 2.885 2.810 2.938 0.238 14 0 "[ . 1 . 2]" 1
637 1 62 ARG H 1 62 ARG HG2 0.000 . 5.000 4.589 4.309 4.868 . 0 0 "[ . 1 . 2]" 1
638 1 62 ARG H 1 62 ARG HG3 0.000 . 5.000 4.634 4.406 4.854 . 0 0 "[ . 1 . 2]" 1
639 1 62 ARG H 1 63 CYS H 0.000 . 5.000 4.234 4.040 4.477 . 0 0 "[ . 1 . 2]" 1
640 1 62 ARG HA 1 62 ARG HG2 0.000 . 3.500 3.476 3.220 3.711 0.211 1 0 "[ . 1 . 2]" 1
641 1 62 ARG HA 1 62 ARG HG3 0.000 . 3.500 2.790 2.491 3.170 . 0 0 "[ . 1 . 2]" 1
642 1 62 ARG HA 1 63 CYS H 0.000 . 2.700 2.092 1.977 2.213 . 0 0 "[ . 1 . 2]" 1
643 1 62 ARG HG2 1 63 CYS H 0.000 . 5.000 3.874 3.080 5.008 0.008 7 0 "[ . 1 . 2]" 1
644 1 62 ARG HG2 1 64 ILE H 0.000 . 6.000 5.295 4.452 6.072 0.072 2 0 "[ . 1 . 2]" 1
645 1 62 ARG HG2 1 64 ILE MD 0.000 . 4.500 2.410 2.155 2.922 . 0 0 "[ . 1 . 2]" 1
646 1 62 ARG HG3 1 63 CYS H 0.000 . 5.000 3.019 2.439 3.775 . 0 0 "[ . 1 . 2]" 1
647 1 62 ARG HG3 1 64 ILE H 0.000 . 6.000 5.247 4.332 6.027 0.027 20 0 "[ . 1 . 2]" 1
648 1 62 ARG HG3 1 64 ILE MD 0.000 . 4.500 3.017 1.926 3.674 . 0 0 "[ . 1 . 2]" 1
649 1 63 CYS H 1 63 CYS HB2 0.000 . 3.500 2.374 2.275 2.482 . 0 0 "[ . 1 . 2]" 1
650 1 63 CYS H 1 63 CYS HB3 0.000 . 3.500 3.551 3.526 3.577 0.077 8 0 "[ . 1 . 2]" 1
651 1 63 CYS HA 1 64 ILE H 0.000 . 2.700 2.081 1.991 2.172 . 0 0 "[ . 1 . 2]" 1
652 1 63 CYS HA 1 64 ILE QG 0.000 . 6.000 3.471 3.266 3.747 . 0 0 "[ . 1 . 2]" 1
653 1 63 CYS HA 1 64 ILE MD 0.000 . 6.000 4.204 4.052 4.380 . 0 0 "[ . 1 . 2]" 1
654 1 63 CYS HB2 1 64 ILE H 0.000 . 5.000 4.175 3.925 4.317 . 0 0 "[ . 1 . 2]" 1
655 1 63 CYS HB3 1 64 ILE H 0.000 . 3.500 3.312 2.865 3.562 0.062 9 0 "[ . 1 . 2]" 1
656 1 63 CYS QB 1 64 ILE MD 0.000 . 7.000 4.651 4.440 4.874 . 0 0 "[ . 1 . 2]" 1
657 1 64 ILE H 1 64 ILE HB 0.000 . 3.500 2.554 2.373 2.750 . 0 0 "[ . 1 . 2]" 1
658 1 64 ILE H 1 64 ILE HG12 0.000 . 5.000 2.500 2.344 2.743 . 0 0 "[ . 1 . 2]" 1
659 1 64 ILE H 1 64 ILE HG13 0.000 . 5.000 3.881 3.750 4.081 . 0 0 "[ . 1 . 2]" 1
660 1 64 ILE H 1 64 ILE MD 0.000 . 4.500 3.470 3.324 3.674 . 0 0 "[ . 1 . 2]" 1
661 1 64 ILE HA 1 64 ILE MD 0.000 . 3.700 2.218 2.097 2.326 . 0 0 "[ . 1 . 2]" 1
662 1 64 ILE HB 1 68 TRP HE3 0.000 . 5.000 4.947 4.698 5.096 0.096 10 0 "[ . 1 . 2]" 1
663 1 64 ILE MG 1 68 TRP H 0.000 . 6.000 3.598 3.352 3.799 . 0 0 "[ . 1 . 2]" 1
664 1 64 ILE MG 1 68 TRP QB 0.000 . 5.500 1.915 1.826 2.063 . 0 0 "[ . 1 . 2]" 1
665 1 64 ILE MG 1 68 TRP HE3 0.000 . 3.700 2.081 1.939 2.255 . 0 0 "[ . 1 . 2]" 1
666 1 64 ILE MG 1 75 ASP HB2 0.000 . 4.500 2.919 2.283 3.235 . 0 0 "[ . 1 . 2]" 1
667 1 64 ILE MG 1 75 ASP HB3 0.000 . 4.500 3.305 2.574 3.610 . 0 0 "[ . 1 . 2]" 1
668 1 64 ILE MG 1 81 ASP HB2 0.000 . 4.500 3.542 3.429 3.616 . 0 0 "[ . 1 . 2]" 1
669 1 64 ILE MG 1 81 ASP HB3 0.000 . 4.500 3.446 3.127 3.560 . 0 0 "[ . 1 . 2]" 1
670 1 64 ILE MD 1 68 TRP QB 0.000 . 7.000 4.316 4.045 4.538 . 0 0 "[ . 1 . 2]" 1
671 1 64 ILE MD 1 68 TRP HE3 0.000 . 4.500 3.380 2.867 3.527 . 0 0 "[ . 1 . 2]" 1
672 1 64 ILE MD 1 75 ASP HB2 0.000 . 4.500 2.907 2.295 3.574 . 0 0 "[ . 1 . 2]" 1
673 1 64 ILE MD 1 75 ASP HB3 0.000 . 4.500 2.422 1.882 2.923 . 0 0 "[ . 1 . 2]" 1
674 1 65 PRO HA 1 66 GLN H 0.000 . 2.700 2.205 2.044 2.330 . 0 0 "[ . 1 . 2]" 1
675 1 65 PRO HB2 1 68 TRP HE1 0.000 . 5.000 4.164 3.056 5.093 0.093 10 0 "[ . 1 . 2]" 1
676 1 65 PRO HB3 1 68 TRP HE1 0.000 . 6.000 5.159 4.096 6.025 0.025 8 0 "[ . 1 . 2]" 1
677 1 65 PRO HG2 1 67 PHE QD 0.000 . 7.000 4.253 3.663 5.032 . 0 0 "[ . 1 . 2]" 1
678 1 65 PRO HG2 1 67 PHE QE 0.000 . 7.000 4.088 2.985 5.642 . 0 0 "[ . 1 . 2]" 1
679 1 65 PRO HG2 1 68 TRP H 0.000 . 5.000 4.067 2.893 5.070 0.070 17 0 "[ . 1 . 2]" 1
680 1 65 PRO HG2 1 68 TRP HE1 0.000 . 5.000 3.326 2.489 4.395 . 0 0 "[ . 1 . 2]" 1
681 1 65 PRO HG3 1 67 PHE QE 0.000 . 7.000 4.246 3.182 5.664 . 0 0 "[ . 1 . 2]" 1
682 1 65 PRO HG3 1 68 TRP HE1 0.000 . 5.000 4.232 3.544 5.041 0.041 15 0 "[ . 1 . 2]" 1
683 1 66 GLN H 1 66 GLN HB2 0.000 . 2.700 2.437 2.334 2.561 . 0 0 "[ . 1 . 2]" 1
684 1 66 GLN H 1 66 GLN HB3 0.000 . 2.700 2.632 2.547 2.744 0.044 9 0 "[ . 1 . 2]" 1
685 1 66 GLN H 1 66 GLN QG 0.000 . 4.500 4.007 3.971 4.067 . 0 0 "[ . 1 . 2]" 1
686 1 66 GLN H 1 67 PHE H 0.000 . 3.500 3.054 2.569 3.553 0.053 9 0 "[ . 1 . 2]" 1
687 1 66 GLN H 1 67 PHE QD 0.000 . 7.000 4.841 3.538 6.179 . 0 0 "[ . 1 . 2]" 1
688 1 66 GLN HA 1 69 ARG H 0.000 . 5.000 4.128 3.821 4.407 . 0 0 "[ . 1 . 2]" 1
689 1 66 GLN HA 1 69 ARG QB 0.000 . 6.000 3.324 2.247 4.638 . 0 0 "[ . 1 . 2]" 1
690 1 66 GLN HB2 1 67 PHE H 0.000 . 5.000 4.017 3.795 4.225 . 0 0 "[ . 1 . 2]" 1
691 1 66 GLN HB3 1 67 PHE H 0.000 . 5.000 2.780 2.455 2.981 . 0 0 "[ . 1 . 2]" 1
692 1 66 GLN QG 1 69 ARG HG2 0.000 . 6.000 4.679 3.203 5.452 . 0 0 "[ . 1 . 2]" 1
693 1 66 GLN QG 1 69 ARG HG3 0.000 . 6.000 4.079 2.834 5.377 . 0 0 "[ . 1 . 2]" 1
694 1 66 GLN QG 1 69 ARG QB 0.000 . 4.700 3.173 2.615 3.701 . 0 0 "[ . 1 . 2]" 1
695 1 67 PHE H 1 67 PHE HB2 0.000 . 3.500 3.265 2.587 3.616 0.116 4 0 "[ . 1 . 2]" 1
696 1 67 PHE H 1 67 PHE HB3 0.000 . 3.500 2.423 2.232 2.554 . 0 0 "[ . 1 . 2]" 1
697 1 67 PHE H 1 68 TRP H 0.000 . 3.500 2.762 2.656 2.936 . 0 0 "[ . 1 . 2]" 1
698 1 67 PHE H 1 69 ARG H 0.000 . 5.000 4.449 4.298 4.638 . 0 0 "[ . 1 . 2]" 1
699 1 67 PHE HA 1 69 ARG H 0.000 . 3.500 3.332 3.088 3.642 0.142 10 0 "[ . 1 . 2]" 1
700 1 67 PHE QB 1 68 TRP H 0.000 . 4.500 3.534 2.860 3.870 . 0 0 "[ . 1 . 2]" 1
701 1 67 PHE QE 1 68 TRP HA 0.000 . 5.500 5.067 4.878 5.287 . 0 0 "[ . 1 . 2]" 1
702 1 67 PHE QE 1 68 TRP HB2 0.000 . 7.000 5.906 4.976 6.430 . 0 0 "[ . 1 . 2]" 1
703 1 67 PHE QE 1 68 TRP HB3 0.000 . 7.000 6.236 5.887 6.485 . 0 0 "[ . 1 . 2]" 1
704 1 67 PHE QE 1 68 TRP HE1 0.000 . 5.500 2.405 1.973 2.739 . 0 0 "[ . 1 . 2]" 1
705 1 67 PHE HZ 1 68 TRP HE1 0.000 . 3.500 2.652 2.097 3.585 0.085 7 0 "[ . 1 . 2]" 1
706 1 68 TRP H 1 68 TRP HB2 0.000 . 3.500 2.373 2.259 2.496 . 0 0 "[ . 1 . 2]" 1
707 1 68 TRP H 1 68 TRP HB3 0.000 . 3.500 3.599 3.549 3.649 0.149 10 0 "[ . 1 . 2]" 1
708 1 68 TRP H 1 69 ARG H 0.000 . 2.700 2.630 2.402 2.861 0.161 7 0 "[ . 1 . 2]" 1
709 1 68 TRP HA 1 69 ARG H 0.000 . 3.500 3.060 2.708 3.323 . 0 0 "[ . 1 . 2]" 1
710 1 68 TRP HA 1 71 ASP HB2 0.000 . 3.500 2.879 2.074 3.768 0.268 7 0 "[ . 1 . 2]" 1
711 1 68 TRP HA 1 71 ASP HB3 0.000 . 3.500 3.360 2.651 3.751 0.251 18 0 "[ . 1 . 2]" 1
712 1 68 TRP HB2 1 69 ARG H 0.000 . 5.000 3.838 3.479 4.177 . 0 0 "[ . 1 . 2]" 1
713 1 68 TRP HB3 1 69 ARG H 0.000 . 5.000 4.324 4.169 4.424 . 0 0 "[ . 1 . 2]" 1
714 1 68 TRP HE3 1 75 ASP HB2 0.000 . 5.000 3.770 3.028 5.035 0.035 8 0 "[ . 1 . 2]" 1
715 1 68 TRP HE3 1 75 ASP HB3 0.000 . 5.000 3.625 2.138 4.264 . 0 0 "[ . 1 . 2]" 1
716 1 69 ARG H 1 69 ARG HG2 0.000 . 5.000 4.274 3.463 4.799 . 0 0 "[ . 1 . 2]" 1
717 1 69 ARG H 1 69 ARG HG3 0.000 . 5.000 4.009 2.056 5.011 0.011 8 0 "[ . 1 . 2]" 1
718 1 69 ARG H 1 69 ARG QD 0.000 . 6.000 4.348 3.643 5.090 . 0 0 "[ . 1 . 2]" 1
719 1 69 ARG H 1 70 CYS H 0.000 . 5.000 4.407 4.046 4.537 . 0 0 "[ . 1 . 2]" 1
720 1 69 ARG HA 1 81 ASP HA 0.000 . 5.000 2.967 2.327 3.930 . 0 0 "[ . 1 . 2]" 1
721 1 69 ARG HA 1 69 ARG QD 0.000 . 4.500 3.592 2.864 4.165 . 0 0 "[ . 1 . 2]" 1
722 1 69 ARG HA 1 70 CYS H 0.000 . 2.700 2.117 1.919 2.351 . 0 0 "[ . 1 . 2]" 1
723 1 69 ARG HA 1 71 ASP H 0.000 . 3.500 3.526 3.286 3.745 0.245 5 0 "[ . 1 . 2]" 1
724 1 69 ARG HA 1 81 ASP HB2 0.000 . 3.500 2.276 1.906 2.792 . 0 0 "[ . 1 . 2]" 1
725 1 69 ARG HA 1 81 ASP HB3 0.000 . 3.500 3.488 3.270 3.650 0.150 6 0 "[ . 1 . 2]" 1
726 1 69 ARG HG2 1 70 CYS H 0.000 . 5.000 3.483 2.410 5.107 0.107 2 0 "[ . 1 . 2]" 1
727 1 69 ARG HG3 1 70 CYS H 0.000 . 5.000 4.083 2.629 4.841 . 0 0 "[ . 1 . 2]" 1
728 1 69 ARG HD2 1 70 CYS H 0.000 . 5.000 4.272 2.527 5.273 0.273 4 0 "[ . 1 . 2]" 1
729 1 69 ARG HD3 1 70 CYS H 0.000 . 5.000 4.115 2.171 5.077 0.077 16 0 "[ . 1 . 2]" 1
730 1 70 CYS H 1 70 CYS HA 0.000 . 2.700 2.350 2.313 2.402 . 0 0 "[ . 1 . 2]" 1
731 1 70 CYS H 1 70 CYS HB2 0.000 . 3.500 3.007 2.709 3.237 . 0 0 "[ . 1 . 2]" 1
732 1 70 CYS H 1 70 CYS HB3 0.000 . 3.500 3.563 3.446 3.612 0.112 8 0 "[ . 1 . 2]" 1
733 1 70 CYS H 1 71 ASP H 0.000 . 3.500 2.645 2.410 3.031 . 0 0 "[ . 1 . 2]" 1
734 1 70 CYS HA 1 71 ASP H 0.000 . 3.500 2.736 2.591 2.855 . 0 0 "[ . 1 . 2]" 1
735 1 70 CYS HA 1 70 CYS HB2 0.000 . 2.700 2.547 2.479 2.610 . 0 0 "[ . 1 . 2]" 1
736 1 70 CYS HA 1 70 CYS HB3 0.000 . 2.700 2.936 2.923 2.947 0.247 14 0 "[ . 1 . 2]" 1
737 1 70 CYS HA 1 72 GLY H 0.000 . 3.500 3.393 3.180 3.525 0.025 6 0 "[ . 1 . 2]" 1
738 1 70 CYS QB 1 71 ASP H 0.000 . 4.500 3.751 3.633 3.881 . 0 0 "[ . 1 . 2]" 1
739 1 71 ASP H 1 71 ASP HB2 0.000 . 2.700 2.765 2.580 2.849 0.149 15 0 "[ . 1 . 2]" 1
740 1 71 ASP H 1 71 ASP HB3 0.000 . 3.500 2.635 1.970 3.683 0.183 18 0 "[ . 1 . 2]" 1
741 1 71 ASP H 1 72 GLY H 0.000 . 2.700 2.580 2.253 2.740 0.040 11 0 "[ . 1 . 2]" 1
742 1 71 ASP H 1 73 GLN H 0.000 . 5.000 4.213 3.756 4.688 . 0 0 "[ . 1 . 2]" 1
743 1 71 ASP H 1 82 GLU H 0.000 . 5.000 5.112 4.904 5.283 0.283 19 0 "[ . 1 . 2]" 1
744 1 71 ASP HA 1 71 ASP HB2 0.000 . 2.700 2.509 2.216 2.944 0.244 18 0 "[ . 1 . 2]" 1
745 1 71 ASP HA 1 71 ASP HB3 0.000 . 2.700 2.691 2.259 2.921 0.221 6 0 "[ . 1 . 2]" 1
746 1 71 ASP HA 1 72 GLY H 0.000 . 3.500 3.307 3.247 3.395 . 0 0 "[ . 1 . 2]" 1
747 1 72 GLY H 1 72 GLY HA2 0.000 . 2.700 2.324 2.305 2.337 . 0 0 "[ . 1 . 2]" 1
748 1 72 GLY H 1 72 GLY HA3 0.000 . 2.700 2.858 2.809 2.883 0.183 10 0 "[ . 1 . 2]" 1
749 1 73 GLN H 1 73 GLN QB 0.000 . 3.700 2.334 2.242 2.522 . 0 0 "[ . 1 . 2]" 1
750 1 73 GLN H 1 73 GLN HG2 0.000 . 5.000 4.475 4.450 4.520 . 0 0 "[ . 1 . 2]" 1
751 1 73 GLN H 1 73 GLN HG3 0.000 . 5.000 4.608 4.532 4.732 . 0 0 "[ . 1 . 2]" 1
752 1 73 GLN HA 1 73 GLN QE 0.000 . 4.500 3.787 3.778 3.804 . 0 0 "[ . 1 . 2]" 1
753 1 73 GLN HB2 1 74 VAL HA 0.000 . 6.000 6.072 6.053 6.115 0.115 11 0 "[ . 1 . 2]" 1
754 1 73 GLN HB3 1 74 VAL HA 0.000 . 5.000 5.110 5.090 5.149 0.149 9 0 "[ . 1 . 2]" 1
755 1 73 GLN QB 1 74 VAL QG 0.000 . 8.400 4.837 4.800 4.890 . 0 0 "[ . 1 . 2]" 1
756 1 73 GLN HG2 1 74 VAL MG1 0.000 . 7.000 5.371 5.261 5.440 . 0 0 "[ . 1 . 2]" 1
757 1 73 GLN HG2 1 74 VAL MG2 0.000 . 7.000 5.242 5.135 5.304 . 0 0 "[ . 1 . 2]" 1
758 1 73 GLN HG3 1 74 VAL MG1 0.000 . 7.000 5.861 5.825 5.877 . 0 0 "[ . 1 . 2]" 1
759 1 73 GLN HG3 1 74 VAL MG2 0.000 . 7.000 5.222 5.067 5.326 . 0 0 "[ . 1 . 2]" 1
760 1 73 GLN QG 1 74 VAL HA 0.000 . 6.000 4.338 4.248 4.479 . 0 0 "[ . 1 . 2]" 1
761 1 73 GLN QG 1 75 ASP H 0.000 . 6.000 4.861 4.513 5.154 . 0 0 "[ . 1 . 2]" 1
762 1 74 VAL H 1 74 VAL MG1 0.000 . 4.500 3.764 3.720 3.795 . 0 0 "[ . 1 . 2]" 1
763 1 74 VAL H 1 74 VAL MG2 0.000 . 4.500 2.124 1.998 2.232 . 0 0 "[ . 1 . 2]" 1
764 1 74 VAL H 1 82 GLU QB 0.000 . 4.500 4.124 3.857 4.174 . 0 0 "[ . 1 . 2]" 1
765 1 74 VAL H 1 82 GLU QG 0.000 . 4.500 2.784 2.475 3.698 . 0 0 "[ . 1 . 2]" 1
766 1 74 VAL HA 1 75 ASP H 0.000 . 2.700 2.065 2.032 2.101 . 0 0 "[ . 1 . 2]" 1
767 1 74 VAL HA 1 75 ASP HB2 0.000 . 6.000 4.305 4.193 4.387 . 0 0 "[ . 1 . 2]" 1
768 1 74 VAL HA 1 75 ASP HB3 0.000 . 6.000 5.489 5.405 5.547 . 0 0 "[ . 1 . 2]" 1
769 1 74 VAL HA 1 76 CYS H 0.000 . 3.500 3.579 3.537 3.684 0.184 11 0 "[ . 1 . 2]" 1
770 1 74 VAL HB 1 75 ASP H 0.000 . 5.000 4.145 4.005 4.289 . 0 0 "[ . 1 . 2]" 1
771 1 74 VAL MG1 1 75 ASP H 0.000 . 4.500 2.529 2.249 2.787 . 0 0 "[ . 1 . 2]" 1
772 1 74 VAL MG1 1 75 ASP HA 0.000 . 6.000 3.601 3.461 3.768 . 0 0 "[ . 1 . 2]" 1
773 1 74 VAL MG1 1 76 CYS H 0.000 . 3.700 2.865 2.450 2.992 . 0 0 "[ . 1 . 2]" 1
774 1 74 VAL MG1 1 79 GLY H 0.000 . 4.500 3.268 2.773 3.561 . 0 0 "[ . 1 . 2]" 1
775 1 74 VAL MG2 1 75 ASP H 0.000 . 6.000 3.831 3.632 3.999 . 0 0 "[ . 1 . 2]" 1
776 1 74 VAL MG2 1 75 ASP HA 0.000 . 7.000 5.607 5.554 5.651 . 0 0 "[ . 1 . 2]" 1
777 1 74 VAL MG2 1 76 CYS H 0.000 . 6.000 4.687 4.356 4.846 . 0 0 "[ . 1 . 2]" 1
778 1 74 VAL MG2 1 79 GLY H 0.000 . 6.000 4.740 4.301 4.895 . 0 0 "[ . 1 . 2]" 1
779 1 75 ASP H 1 75 ASP HB2 0.000 . 3.500 2.503 2.396 2.612 . 0 0 "[ . 1 . 2]" 1
780 1 75 ASP H 1 75 ASP HB3 0.000 . 3.500 3.659 3.606 3.711 0.211 9 0 "[ . 1 . 2]" 1
781 1 75 ASP H 1 76 CYS H 0.000 . 2.700 1.741 1.634 1.902 . 0 0 "[ . 1 . 2]" 1
782 1 75 ASP HB2 1 76 CYS H 0.000 . 3.500 2.474 2.316 2.671 . 0 0 "[ . 1 . 2]" 1
783 1 75 ASP HB3 1 76 CYS H 0.000 . 3.500 3.555 3.518 3.594 0.094 11 0 "[ . 1 . 2]" 1
784 1 76 CYS H 1 76 CYS HB2 0.000 . 3.500 2.251 2.140 2.380 . 0 0 "[ . 1 . 2]" 1
785 1 76 CYS H 1 76 CYS HB3 0.000 . 3.500 3.553 3.493 3.620 0.120 11 0 "[ . 1 . 2]" 1
786 1 76 CYS H 1 81 ASP H 0.000 . 5.000 4.806 4.195 5.026 0.026 15 0 "[ . 1 . 2]" 1
787 1 76 CYS HA 1 77 ASP H 0.000 . 3.500 2.291 2.152 2.577 . 0 0 "[ . 1 . 2]" 1
788 1 76 CYS HB2 1 77 ASP H 0.000 . 5.000 3.926 3.632 4.210 . 0 0 "[ . 1 . 2]" 1
789 1 76 CYS HB2 1 78 ASN H 0.000 . 5.000 4.174 3.377 4.920 . 0 0 "[ . 1 . 2]" 1
790 1 76 CYS HB2 1 79 GLY H 0.000 . 3.500 2.716 2.007 3.217 . 0 0 "[ . 1 . 2]" 1
791 1 76 CYS HB2 1 80 SER H 0.000 . 5.000 2.758 2.022 3.355 . 0 0 "[ . 1 . 2]" 1
792 1 76 CYS HB2 1 81 ASP H 0.000 . 5.000 3.889 3.539 4.092 . 0 0 "[ . 1 . 2]" 1
793 1 76 CYS HB3 1 77 ASP H 0.000 . 5.000 2.834 2.406 3.308 . 0 0 "[ . 1 . 2]" 1
794 1 76 CYS HB3 1 78 ASN H 0.000 . 5.000 3.151 2.595 3.862 . 0 0 "[ . 1 . 2]" 1
795 1 76 CYS HB3 1 79 GLY H 0.000 . 3.500 2.750 2.340 3.153 . 0 0 "[ . 1 . 2]" 1
796 1 76 CYS HB3 1 80 SER H 0.000 . 3.500 3.094 2.608 3.488 . 0 0 "[ . 1 . 2]" 1
797 1 76 CYS HB3 1 81 ASP H 0.000 . 5.000 5.143 5.062 5.203 0.203 15 0 "[ . 1 . 2]" 1
798 1 77 ASP H 1 77 ASP HB2 0.000 . 3.500 2.537 2.434 2.700 . 0 0 "[ . 1 . 2]" 1
799 1 77 ASP H 1 77 ASP HB3 0.000 . 3.500 2.853 2.443 3.601 0.101 8 0 "[ . 1 . 2]" 1
800 1 77 ASP HA 1 79 GLY H 0.000 . 5.000 4.161 3.713 5.041 0.041 8 0 "[ . 1 . 2]" 1
801 1 77 ASP HA 1 78 ASN H 0.000 . 3.500 3.513 3.458 3.547 0.047 13 0 "[ . 1 . 2]" 1
802 1 77 ASP HB2 1 78 ASN H 0.000 . 5.000 3.263 1.949 3.919 . 0 0 "[ . 1 . 2]" 1
803 1 77 ASP HB3 1 78 ASN H 0.000 . 5.000 2.634 2.059 3.699 . 0 0 "[ . 1 . 2]" 1
804 1 78 ASN HA 1 78 ASN HB2 0.000 . 2.700 2.558 2.431 2.954 0.254 10 0 "[ . 1 . 2]" 1
805 1 78 ASN HA 1 78 ASN HB3 0.000 . 2.700 2.568 2.434 2.960 0.260 8 0 "[ . 1 . 2]" 1
806 1 79 GLY H 1 80 SER H 0.000 . 3.500 2.624 2.002 2.845 . 0 0 "[ . 1 . 2]" 1
807 1 79 GLY H 1 81 ASP H 0.000 . 5.000 4.715 4.470 4.945 . 0 0 "[ . 1 . 2]" 1
808 1 79 GLY QA 1 81 ASP H 0.000 . 4.500 2.948 2.742 3.059 . 0 0 "[ . 1 . 2]" 1
809 1 79 GLY QA 1 80 SER H 0.000 . 3.700 2.660 2.486 2.836 . 0 0 "[ . 1 . 2]" 1
810 1 79 GLY QA 1 83 GLN H 0.000 . 4.500 3.478 3.210 3.797 . 0 0 "[ . 1 . 2]" 1
811 1 80 SER H 1 81 ASP H 0.000 . 3.500 2.933 2.574 3.070 . 0 0 "[ . 1 . 2]" 1
812 1 80 SER HA 1 81 ASP H 0.000 . 3.500 2.900 2.662 3.149 . 0 0 "[ . 1 . 2]" 1
813 1 80 SER HA 1 82 GLU H 0.000 . 3.500 3.587 3.432 3.750 0.250 15 0 "[ . 1 . 2]" 1
814 1 81 ASP H 1 81 ASP HB2 0.000 . 3.500 3.701 3.595 3.778 0.278 14 0 "[ . 1 . 2]" 1
815 1 81 ASP H 1 81 ASP HB3 0.000 . 3.500 3.261 3.012 3.378 . 0 0 "[ . 1 . 2]" 1
816 1 81 ASP H 1 83 GLN H 0.000 . 5.000 3.302 3.076 3.657 . 0 0 "[ . 1 . 2]" 1
817 1 81 ASP H 1 84 GLY HA3 0.000 . 5.000 3.873 3.731 4.246 . 0 0 "[ . 1 . 2]" 1
818 1 81 ASP H 1 84 GLY HA2 0.000 . 5.000 5.246 5.152 5.313 0.313 12 0 "[ . 1 . 2]" 1
819 1 81 ASP HA 1 81 ASP HB2 0.000 . 2.700 2.497 2.418 2.657 . 0 0 "[ . 1 . 2]" 1
820 1 81 ASP HA 1 81 ASP HB3 0.000 . 2.700 2.481 2.379 2.558 . 0 0 "[ . 1 . 2]" 1
821 1 81 ASP HA 1 83 GLN H 0.000 . 5.000 5.069 4.835 5.121 0.121 12 0 "[ . 1 . 2]" 1
822 1 82 GLU H 1 82 GLU QB 0.000 . 3.700 2.578 2.110 3.431 . 0 0 "[ . 1 . 2]" 1
823 1 83 GLN H 1 83 GLN HB2 0.000 . 3.500 2.447 2.343 2.514 . 0 0 "[ . 1 . 2]" 1
824 1 83 GLN H 1 83 GLN HB3 0.000 . 3.500 3.562 3.530 3.588 0.088 13 0 "[ . 1 . 2]" 1
825 1 83 GLN H 1 83 GLN HG2 0.000 . 3.500 2.779 2.079 3.514 0.014 9 0 "[ . 1 . 2]" 1
826 1 83 GLN H 1 83 GLN HG3 0.000 . 3.500 2.888 2.112 3.553 0.053 5 0 "[ . 1 . 2]" 1
827 1 83 GLN HA 1 84 GLY H 0.000 . 3.500 3.416 3.345 3.454 . 0 0 "[ . 1 . 2]" 1
828 1 83 GLN HA 1 85 CYS H 0.000 . 5.000 3.758 3.507 4.079 . 0 0 "[ . 1 . 2]" 1
829 1 83 GLN HB2 1 84 GLY H 0.000 . 5.000 2.425 2.321 2.539 . 0 0 "[ . 1 . 2]" 1
830 1 83 GLN HB3 1 84 GLY H 0.000 . 3.500 3.585 3.546 3.623 0.123 11 0 "[ . 1 . 2]" 1
831 1 83 GLN QG 1 84 GLY H 0.000 . 4.500 3.714 3.637 3.808 . 0 0 "[ . 1 . 2]" 1
832 1 84 GLY H 1 85 CYS H 0.000 . 3.500 3.213 2.737 3.531 0.031 7 0 "[ . 1 . 2]" 1
833 1 84 GLY HA2 1 85 CYS H 0.000 . 3.500 2.932 2.509 3.490 . 0 0 "[ . 1 . 2]" 1
834 1 84 GLY HA3 1 85 CYS H 0.000 . 3.500 3.450 3.048 3.535 0.035 7 0 "[ . 1 . 2]" 1
835 1 85 CYS H 1 85 CYS HA 0.000 . 2.700 2.797 2.773 2.853 0.153 16 0 "[ . 1 . 2]" 1
836 1 85 CYS H 1 85 CYS HB2 0.000 . 2.700 2.485 2.281 2.575 . 0 0 "[ . 1 . 2]" 1
837 1 85 CYS H 1 85 CYS HB3 0.000 . 2.700 2.532 2.425 2.728 0.028 20 0 "[ . 1 . 2]" 1
838 1 85 CYS HA 1 85 CYS HB2 0.000 . 2.700 2.436 2.379 2.566 . 0 0 "[ . 1 . 2]" 1
839 1 85 CYS HA 1 85 CYS HB3 0.000 . 2.700 2.938 2.924 2.944 0.244 19 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 26
_Distance_constraint_stats_list.Viol_count 261
_Distance_constraint_stats_list.Viol_total 315.657
_Distance_constraint_stats_list.Viol_max 0.187
_Distance_constraint_stats_list.Viol_rms 0.0423
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0304
_Distance_constraint_stats_list.Viol_average_violations_only 0.0605
_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 13 PHE 0.401 0.034 11 0 "[ . 1 . 2]"
1 15 CYS 0.902 0.061 7 0 "[ . 1 . 2]"
1 19 LYS 0.902 0.061 7 0 "[ . 1 . 2]"
1 21 ILE 0.401 0.034 11 0 "[ . 1 . 2]"
1 22 SER 0.520 0.047 2 0 "[ . 1 . 2]"
1 23 TYR 2.129 0.134 1 0 "[ . 1 . 2]"
1 25 TRP 0.520 0.047 2 0 "[ . 1 . 2]"
1 26 VAL 2.129 0.134 1 0 "[ . 1 . 2]"
1 27 CYS 0.018 0.018 9 0 "[ . 1 . 2]"
1 36 GLY 1.706 0.118 14 0 "[ . 1 . 2]"
1 37 SER 1.493 0.087 14 0 "[ . 1 . 2]"
1 38 ASP 0.018 0.018 9 0 "[ . 1 . 2]"
1 39 GLU 1.706 0.118 14 0 "[ . 1 . 2]"
1 40 SER 1.493 0.087 14 0 "[ . 1 . 2]"
1 65 PRO 0.130 0.029 2 0 "[ . 1 . 2]"
1 66 GLN 1.917 0.187 7 0 "[ . 1 . 2]"
1 68 TRP 0.130 0.029 2 0 "[ . 1 . 2]"
1 69 ARG 1.917 0.187 7 0 "[ . 1 . 2]"
1 70 CYS 3.219 0.176 1 0 "[ . 1 . 2]"
1 71 ASP 1.284 0.123 11 0 "[ . 1 . 2]"
1 73 GLN 1.284 0.123 11 0 "[ . 1 . 2]"
1 79 GLY 2.063 0.153 18 0 "[ . 1 . 2]"
1 81 ASP 3.219 0.176 1 0 "[ . 1 . 2]"
1 82 GLU 2.063 0.153 18 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 13 PHE H 1 21 ILE O 1.900 . 2.000 1.949 1.905 2.009 0.009 1 0 "[ . 1 . 2]" 2
2 1 13 PHE N 1 21 ILE O 2.800 2.700 3.000 2.714 2.673 2.787 0.027 11 0 "[ . 1 . 2]" 2
3 1 15 CYS H 1 19 LYS O 1.900 . 2.000 2.045 2.019 2.061 0.061 7 0 "[ . 1 . 2]" 2
4 1 15 CYS N 1 19 LYS O 2.800 2.700 3.000 2.854 2.797 2.892 . 0 0 "[ . 1 . 2]" 2
5 1 13 PHE O 1 21 ILE H 1.900 . 2.000 2.010 1.961 2.034 0.034 11 0 "[ . 1 . 2]" 2
6 1 13 PHE O 1 21 ILE N 2.800 2.700 3.000 2.982 2.938 3.012 0.012 11 0 "[ . 1 . 2]" 2
7 1 22 SER O 1 25 TRP H 1.900 . 2.000 2.026 2.015 2.047 0.047 2 0 "[ . 1 . 2]" 2
8 1 22 SER O 1 25 TRP N 2.800 2.700 3.000 2.871 2.806 2.916 . 0 0 "[ . 1 . 2]" 2
9 1 23 TYR O 1 26 VAL H 1.900 . 2.000 2.106 2.046 2.134 0.134 1 0 "[ . 1 . 2]" 2
10 1 23 TYR O 1 26 VAL N 2.800 2.700 3.000 2.838 2.716 3.012 0.012 14 0 "[ . 1 . 2]" 2
11 1 27 CYS H 1 38 ASP O 1.900 . 2.000 1.910 1.872 2.018 0.018 9 0 "[ . 1 . 2]" 2
12 1 27 CYS N 1 38 ASP O 2.800 2.700 3.000 2.816 2.741 2.997 . 0 0 "[ . 1 . 2]" 2
13 1 36 GLY O 1 39 GLU H 1.900 . 2.000 2.085 2.035 2.118 0.118 14 0 "[ . 1 . 2]" 2
14 1 36 GLY O 1 39 GLU N 2.800 2.700 3.000 2.793 2.726 2.864 . 0 0 "[ . 1 . 2]" 2
15 1 37 SER O 1 40 SER H 1.900 . 2.000 2.070 2.050 2.087 0.087 14 0 "[ . 1 . 2]" 2
16 1 37 SER O 1 40 SER N 2.800 2.700 3.000 2.994 2.944 3.026 0.026 9 0 "[ . 1 . 2]" 2
17 1 65 PRO O 1 68 TRP H 1.900 . 2.000 1.972 1.846 2.029 0.029 2 0 "[ . 1 . 2]" 2
18 1 65 PRO O 1 68 TRP N 2.800 2.700 3.000 2.877 2.774 2.954 . 0 0 "[ . 1 . 2]" 2
19 1 66 GLN O 1 69 ARG H 1.900 . 2.000 2.092 2.043 2.187 0.187 7 0 "[ . 1 . 2]" 2
20 1 66 GLN O 1 69 ARG N 2.800 2.700 3.000 2.847 2.671 2.989 0.029 7 0 "[ . 1 . 2]" 2
21 1 70 CYS H 1 81 ASP O 1.900 . 2.000 2.061 1.905 2.176 0.176 1 0 "[ . 1 . 2]" 2
22 1 70 CYS N 1 81 ASP O 2.800 2.700 3.000 2.610 2.556 2.652 0.144 2 0 "[ . 1 . 2]" 2
23 1 71 ASP O 1 73 GLN H 1.900 . 2.000 2.063 2.023 2.123 0.123 11 0 "[ . 1 . 2]" 2
24 1 71 ASP O 1 73 GLN N 2.800 2.700 3.000 2.818 2.671 2.896 0.029 11 0 "[ . 1 . 2]" 2
25 1 79 GLY O 1 82 GLU H 1.900 . 2.000 2.095 2.048 2.153 0.153 18 0 "[ . 1 . 2]" 2
26 1 79 GLY O 1 82 GLU N 2.800 2.700 3.000 2.984 2.904 3.036 0.036 7 0 "[ . 1 . 2]" 2
stop_
save_
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