NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
378410 |
1h0t   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1h0t
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 755
_Distance_constraint_stats_list.Viol_count 1329
_Distance_constraint_stats_list.Viol_total 6796.002
_Distance_constraint_stats_list.Viol_max 0.427
_Distance_constraint_stats_list.Viol_rms 0.0316
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0056
_Distance_constraint_stats_list.Viol_average_violations_only 0.1278
_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
2 1 VAL 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
2 2 ASP 0.530 0.124 9 0 "[ . 1 . 2 . 3 . 4]"
2 3 ASN 2.027 0.228 39 0 "[ . 1 . 2 . 3 . 4]"
2 4 LYS 3.112 0.249 17 0 "[ . 1 . 2 . 3 . 4]"
2 5 PHE 11.233 0.260 18 0 "[ . 1 . 2 . 3 . 4]"
2 6 ASN 12.509 0.251 24 0 "[ . 1 . 2 . 3 . 4]"
2 7 LYS 23.594 0.346 3 0 "[ . 1 . 2 . 3 . 4]"
2 8 GLU 23.817 0.261 37 0 "[ . 1 . 2 . 3 . 4]"
2 9 LEU 20.776 0.257 26 0 "[ . 1 . 2 . 3 . 4]"
2 10 SER 14.659 0.346 3 0 "[ . 1 . 2 . 3 . 4]"
2 11 VAL 5.989 0.261 37 0 "[ . 1 . 2 . 3 . 4]"
2 12 ALA 8.904 0.235 27 0 "[ . 1 . 2 . 3 . 4]"
2 13 GLY 16.984 0.271 32 0 "[ . 1 . 2 . 3 . 4]"
2 14 ARG 8.080 0.271 32 0 "[ . 1 . 2 . 3 . 4]"
2 15 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
2 16 ILE 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
2 17 VAL 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
2 18 THR 1.062 0.085 2 0 "[ . 1 . 2 . 3 . 4]"
2 19 LEU 5.851 0.243 28 0 "[ . 1 . 2 . 3 . 4]"
2 20 PRO 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
2 21 ASN 4.017 0.243 28 0 "[ . 1 . 2 . 3 . 4]"
2 22 LEU 0.923 0.082 26 0 "[ . 1 . 2 . 3 . 4]"
2 23 ASN 8.399 0.273 23 0 "[ . 1 . 2 . 3 . 4]"
2 24 ASP 4.312 0.124 38 0 "[ . 1 . 2 . 3 . 4]"
2 25 PRO 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
2 26 GLN 0.042 0.036 30 0 "[ . 1 . 2 . 3 . 4]"
2 27 LYS 14.685 0.427 26 0 "[ . 1 . 2 . 3 . 4]"
2 28 LYS 8.043 0.291 23 0 "[ . 1 . 2 . 3 . 4]"
2 29 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
2 30 PHE 6.564 0.278 37 0 "[ . 1 . 2 . 3 . 4]"
2 31 ILE 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
2 32 PHE 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
2 33 SER 6.577 0.278 37 0 "[ . 1 . 2 . 3 . 4]"
2 34 LEU 0.381 0.177 26 0 "[ . 1 . 2 . 3 . 4]"
2 35 TRP 0.016 0.016 26 0 "[ . 1 . 2 . 3 . 4]"
2 36 ASP 9.475 0.279 39 0 "[ . 1 . 2 . 3 . 4]"
2 37 ASP 12.595 0.279 39 0 "[ . 1 . 2 . 3 . 4]"
2 38 PRO 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
2 39 SER 9.421 0.143 33 0 "[ . 1 . 2 . 3 . 4]"
2 40 GLN 7.879 0.155 37 0 "[ . 1 . 2 . 3 . 4]"
2 41 SER 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
2 42 ALA 0.038 0.033 37 0 "[ . 1 . 2 . 3 . 4]"
2 43 ASN 7.745 0.179 37 0 "[ . 1 . 2 . 3 . 4]"
2 44 LEU 8.338 0.222 32 0 "[ . 1 . 2 . 3 . 4]"
2 45 LEU 8.405 0.222 32 0 "[ . 1 . 2 . 3 . 4]"
2 46 ALA 0.081 0.016 31 0 "[ . 1 . 2 . 3 . 4]"
2 47 GLU 5.541 0.146 32 0 "[ . 1 . 2 . 3 . 4]"
2 48 ALA 5.736 0.294 16 0 "[ . 1 . 2 . 3 . 4]"
2 49 LYS 0.389 0.087 32 0 "[ . 1 . 2 . 3 . 4]"
2 50 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
2 51 LEU 7.640 0.294 16 0 "[ . 1 . 2 . 3 . 4]"
2 52 ASN 8.780 0.273 23 0 "[ . 1 . 2 . 3 . 4]"
2 53 ASP 0.189 0.073 13 0 "[ . 1 . 2 . 3 . 4]"
2 54 ALA 2.149 0.138 26 0 "[ . 1 . 2 . 3 . 4]"
2 55 GLN 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
2 56 ALA 0.022 0.011 26 0 "[ . 1 . 2 . 3 . 4]"
2 57 PRO 0.034 0.012 40 0 "[ . 1 . 2 . 3 . 4]"
2 58 LYS 0.012 0.012 40 0 "[ . 1 . 2 . 3 . 4]"
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 2 1 VAL HA 2 2 ASP H 5.000 . 5.000 2.741 2.210 3.620 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
2 2 1 VAL HB 2 2 ASP H 5.000 . 5.000 3.607 2.197 4.541 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
3 2 1 VAL QG 2 2 ASP H 5.000 . 5.000 2.654 1.953 3.722 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
4 2 2 ASP HA 2 3 ASN H 5.000 . 5.000 2.276 2.186 2.564 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
5 2 2 ASP HA 2 4 LYS H 5.000 . 5.000 4.435 3.698 5.124 0.124 9 0 "[ . 1 . 2 . 3 . 4]" 1
6 2 2 ASP QB 2 3 ASN H 5.000 . 5.000 3.472 2.306 4.058 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
7 2 3 ASN HA 2 4 LYS H 2.700 . 2.700 2.635 2.226 2.928 0.228 39 0 "[ . 1 . 2 . 3 . 4]" 1
8 2 3 ASN QB 2 4 LYS H 5.000 . 5.000 3.982 3.708 4.111 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
9 2 3 ASN H 2 4 LYS H 5.000 . 5.000 3.265 2.544 4.165 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
10 2 4 LYS HA 2 5 PHE H 3.300 . 3.300 2.607 2.182 3.549 0.249 17 0 "[ . 1 . 2 . 3 . 4]" 1
11 2 4 LYS HA 2 6 ASN H 5.000 . 5.000 4.050 3.131 5.058 0.058 17 0 "[ . 1 . 2 . 3 . 4]" 1
12 2 4 LYS QB 2 5 PHE H 5.000 . 5.000 3.382 2.068 4.105 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
13 2 4 LYS H 2 5 PHE H 5.000 . 5.000 3.749 2.006 4.686 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
14 2 5 PHE HA 2 5 PHE QE 5.000 . 5.000 4.420 4.218 4.549 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
15 2 5 PHE HA 2 6 ASN H 3.300 . 3.300 3.016 2.268 3.543 0.243 30 0 "[ . 1 . 2 . 3 . 4]" 1
16 2 5 PHE HA 2 7 LYS H 5.000 . 5.000 3.848 3.277 4.443 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
17 2 5 PHE HA 2 8 GLU QB 5.000 . 5.000 3.302 2.302 4.805 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
18 2 5 PHE HA 2 8 GLU QG 5.000 . 5.000 3.906 1.887 4.539 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
19 2 5 PHE HA 2 8 GLU H 5.000 . 5.000 3.516 3.122 4.226 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
20 2 5 PHE H 2 5 PHE HB3 3.300 . 3.300 3.482 3.371 3.560 0.260 18 0 "[ . 1 . 2 . 3 . 4]" 1
21 2 5 PHE HB3 2 9 LEU HG 5.000 . 5.000 4.057 3.343 5.074 0.074 26 0 "[ . 1 . 2 . 3 . 4]" 1
22 2 5 PHE HB2 2 5 PHE QE 5.000 . 5.000 4.443 4.412 4.521 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
23 2 5 PHE HB2 2 6 ASN H 5.000 . 5.000 3.901 2.497 4.573 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
24 2 5 PHE HB2 2 9 LEU HG 5.000 . 5.000 4.827 3.859 5.187 0.187 26 0 "[ . 1 . 2 . 3 . 4]" 1
25 2 5 PHE H 2 5 PHE QD 5.000 . 5.000 2.643 2.220 3.364 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
26 2 5 PHE H 2 6 ASN H 5.000 . 5.000 3.116 2.317 4.313 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
27 2 6 ASN HA 2 7 LYS HA 5.000 . 5.000 4.858 4.672 4.947 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
28 2 6 ASN HA 2 7 LYS H 0.000 . 3.300 3.512 3.343 3.551 0.251 24 0 "[ . 1 . 2 . 3 . 4]" 1
29 2 6 ASN HA 2 8 GLU H 5.000 . 5.000 4.200 4.029 4.440 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
30 2 6 ASN HA 2 9 LEU HB3 5.000 . 5.000 4.739 4.349 5.051 0.051 4 0 "[ . 1 . 2 . 3 . 4]" 1
31 2 6 ASN HA 2 9 LEU QD 5.000 . 5.000 1.824 1.707 2.043 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
32 2 6 ASN HA 2 9 LEU HG 5.000 . 5.000 2.858 2.398 4.661 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
33 2 6 ASN HA 2 9 LEU H 3.300 . 3.300 3.325 3.070 3.551 0.251 4 0 "[ . 1 . 2 . 3 . 4]" 1
34 2 6 ASN H 2 6 ASN QB 3.300 . 3.300 2.684 2.340 3.150 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
35 2 6 ASN QB 2 7 LYS H 5.000 . 5.000 3.097 2.434 3.865 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
36 2 6 ASN QB 2 9 LEU QD 5.000 . 5.000 3.209 2.767 3.406 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
37 2 6 ASN H 2 6 ASN QD 5.000 . 5.000 3.180 2.159 3.823 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
38 2 6 ASN H 2 7 LYS QB 5.000 . 5.000 4.312 3.565 4.549 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
39 2 6 ASN H 2 7 LYS H 5.000 . 5.000 2.603 1.949 2.850 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
40 2 7 LYS HA 2 8 GLU H 3.300 . 3.300 3.504 3.465 3.527 0.227 27 0 "[ . 1 . 2 . 3 . 4]" 1
41 2 7 LYS HA 2 10 SER H 3.300 . 3.300 3.473 3.307 3.646 0.346 3 0 "[ . 1 . 2 . 3 . 4]" 1
42 2 7 LYS H 2 7 LYS QB 3.300 . 3.300 2.192 2.002 2.324 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
43 2 7 LYS QB 2 8 GLU QB 5.000 . 5.000 3.986 3.770 4.083 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
44 2 7 LYS QB 2 8 GLU QG 5.000 . 5.000 3.955 3.447 4.205 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
45 2 7 LYS QB 2 8 GLU H 5.000 . 5.000 2.575 2.377 2.708 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
46 2 7 LYS H 2 8 GLU QB 5.000 . 5.000 4.322 4.092 4.685 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
47 2 7 LYS H 2 8 GLU H 3.300 . 3.300 2.579 2.090 2.677 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
48 2 7 LYS H 2 9 LEU H 5.000 . 5.000 4.100 3.677 4.256 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
49 2 8 GLU HA 2 9 LEU H 3.300 . 3.300 3.540 3.497 3.557 0.257 26 0 "[ . 1 . 2 . 3 . 4]" 1
50 2 8 GLU HA 2 11 VAL HB 5.000 . 5.000 3.288 3.009 3.543 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
51 2 8 GLU HA 2 11 VAL QG 5.000 . 5.000 3.390 3.224 3.660 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
52 2 8 GLU HA 2 11 VAL H 3.300 . 3.300 3.450 3.313 3.561 0.261 37 0 "[ . 1 . 2 . 3 . 4]" 1
53 2 8 GLU HA 2 12 ALA H 5.000 . 5.000 3.443 3.206 3.713 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
54 2 8 GLU QB 2 9 LEU HA 5.000 . 5.000 4.072 3.852 4.570 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
55 2 8 GLU QB 2 9 LEU HG 5.000 . 5.000 3.708 3.182 4.852 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
56 2 8 GLU QB 2 9 LEU H 5.000 . 5.000 3.021 2.615 3.820 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
57 2 8 GLU QB 2 12 ALA MB 5.000 . 5.000 3.206 2.852 3.560 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
58 2 8 GLU QB 2 12 ALA H 5.000 . 5.000 4.287 3.871 4.499 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
59 2 8 GLU H 2 8 GLU QG 5.000 . 5.000 2.874 1.822 3.362 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
60 2 8 GLU QG 2 9 LEU H 5.000 . 5.000 4.053 1.984 4.653 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
61 2 8 GLU QG 2 12 ALA MB 5.000 . 5.000 3.776 3.653 3.958 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
62 2 8 GLU H 2 9 LEU H 2.700 . 2.700 2.662 2.575 2.721 0.021 24 0 "[ . 1 . 2 . 3 . 4]" 1
63 2 9 LEU HA 2 10 SER H 3.300 . 3.300 3.493 3.453 3.544 0.244 24 0 "[ . 1 . 2 . 3 . 4]" 1
64 2 9 LEU HA 2 12 ALA MB 5.000 . 5.000 2.509 2.237 2.799 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
65 2 9 LEU HA 2 12 ALA H 5.000 . 5.000 3.685 3.415 3.920 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
66 2 9 LEU HA 2 34 LEU QD 5.000 . 5.000 2.141 1.755 2.515 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
67 2 9 LEU HB2 2 10 SER H 3.300 . 3.300 3.005 2.792 3.200 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
68 2 9 LEU H 2 9 LEU QD 5.000 . 5.000 2.932 1.885 3.101 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
69 2 9 LEU QD 2 12 ALA MB 5.000 . 5.000 3.232 3.174 3.285 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
70 2 9 LEU QD 2 34 LEU HA 5.000 . 5.000 3.721 3.664 3.799 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
71 2 9 LEU QD 2 34 LEU HB2 5.000 . 5.000 3.990 3.950 4.074 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
72 2 9 LEU QD 2 34 LEU QD 5.000 . 5.000 1.890 1.795 2.019 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
73 2 9 LEU QD 2 34 LEU HG 5.000 . 5.000 1.685 1.625 2.097 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
74 2 9 LEU QD 2 35 TRP HA 5.000 . 5.000 2.392 2.171 2.811 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
75 2 9 LEU QD 2 35 TRP HE3 5.000 . 5.000 2.158 2.035 2.455 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
76 2 9 LEU QD 2 35 TRP HZ3 5.000 . 5.000 1.935 1.849 2.072 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
77 2 9 LEU QD 2 38 PRO HA 5.000 . 5.000 3.072 2.870 3.348 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
78 2 9 LEU QD 2 38 PRO QB 5.000 . 5.000 1.705 1.640 1.845 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
79 2 9 LEU QD 2 38 PRO QD 5.000 . 5.000 3.354 3.164 3.404 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
80 2 9 LEU QD 2 38 PRO QG 5.000 . 5.000 2.956 2.713 3.092 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
81 2 9 LEU H 2 9 LEU HG 5.000 . 5.000 1.988 1.829 3.853 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
82 2 9 LEU HG 2 34 LEU QD 5.000 . 5.000 3.750 3.181 3.802 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
83 2 9 LEU H 2 10 SER QB 5.000 . 5.000 4.106 3.832 4.494 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
84 2 10 SER HA 2 11 VAL H 0.000 . 5.000 3.592 3.571 3.612 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
85 2 10 SER HA 2 13 GLY QA 5.000 . 5.000 4.595 4.541 4.662 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
86 2 10 SER HA 2 14 ARG H 5.000 . 5.000 3.697 3.274 3.855 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
87 2 10 SER H 2 10 SER QB 2.700 . 2.700 2.018 1.893 2.312 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
88 2 10 SER QB 2 11 VAL QG 5.000 . 5.000 3.026 2.524 3.425 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
89 2 10 SER QB 2 11 VAL H 5.000 . 5.000 2.698 2.309 3.286 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
90 2 10 SER H 2 11 VAL HB 5.000 . 5.000 4.896 4.833 5.001 0.001 28 0 "[ . 1 . 2 . 3 . 4]" 1
91 2 10 SER H 2 11 VAL QG 5.000 . 5.000 3.839 3.804 3.871 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
92 2 10 SER H 2 11 VAL H 2.700 . 2.700 2.645 2.564 2.700 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
93 2 10 SER H 2 12 ALA H 5.000 . 5.000 4.232 4.134 4.353 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
94 2 11 VAL HA 2 12 ALA H 5.000 . 5.000 3.598 3.582 3.608 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
95 2 11 VAL HA 2 14 ARG QB 5.000 . 5.000 3.486 3.097 3.827 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
96 2 11 VAL HA 2 14 ARG H 5.000 . 5.000 4.230 3.960 4.554 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
97 2 11 VAL H 2 11 VAL HB 2.700 . 2.700 2.512 2.471 2.557 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
98 2 11 VAL HB 2 12 ALA HA 5.000 . 5.000 4.230 4.191 4.283 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
99 2 11 VAL HB 2 12 ALA MB 5.000 . 5.000 3.591 3.469 3.724 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
100 2 11 VAL HB 2 12 ALA H 2.700 . 2.700 2.193 2.096 2.336 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
101 2 11 VAL QG 2 12 ALA HA 5.000 . 5.000 3.696 3.637 3.731 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
102 2 11 VAL QG 2 12 ALA H 5.000 . 5.000 3.064 3.003 3.146 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
103 2 11 VAL QG 2 15 GLU QG 5.000 . 5.000 3.210 2.815 3.335 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
104 2 11 VAL H 2 12 ALA MB 5.000 . 5.000 4.169 4.062 4.216 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
105 2 11 VAL H 2 12 ALA H 5.000 . 5.000 2.611 2.496 2.671 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
106 2 12 ALA HA 2 13 GLY H 3.300 . 3.300 3.523 3.512 3.535 0.235 27 0 "[ . 1 . 2 . 3 . 4]" 1
107 2 12 ALA HA 2 15 GLU QB 5.000 . 5.000 3.174 2.923 3.405 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
108 2 12 ALA HA 2 15 GLU QG 5.000 . 5.000 4.329 3.869 4.504 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
109 2 12 ALA HA 2 15 GLU H 5.000 . 5.000 4.038 3.892 4.216 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
110 2 12 ALA HA 2 16 ILE H 5.000 . 5.000 4.182 3.964 4.475 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
111 2 12 ALA HA 2 34 LEU QD 5.000 . 5.000 3.832 3.765 3.940 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
112 2 12 ALA HA 2 45 LEU QD 5.000 . 5.000 1.957 1.690 2.096 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
113 2 12 ALA H 2 12 ALA MB 3.300 . 3.300 2.131 2.090 2.166 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
114 2 12 ALA MB 2 13 GLY H 5.000 . 5.000 2.254 2.095 2.414 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
115 2 12 ALA MB 2 16 ILE MD 5.000 . 5.000 2.622 2.234 3.483 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
116 2 12 ALA MB 2 34 LEU QD 5.000 . 5.000 1.909 1.784 2.029 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
117 2 12 ALA MB 2 41 SER HA 5.000 . 5.000 3.115 2.701 3.411 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
118 2 12 ALA MB 2 41 SER QB 5.000 . 5.000 2.671 1.879 3.362 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
119 2 12 ALA MB 2 45 LEU QD 5.000 . 5.000 3.047 2.773 3.179 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
120 2 12 ALA H 2 13 GLY H 5.000 . 5.000 2.769 2.728 2.821 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
121 2 12 ALA H 2 14 ARG H 5.000 . 5.000 4.549 4.344 4.699 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
122 2 13 GLY QA 2 14 ARG H 5.000 . 5.000 2.576 2.529 2.678 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
123 2 13 GLY QA 2 15 GLU H 5.000 . 5.000 4.164 4.052 4.299 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
124 2 13 GLY QA 2 16 ILE HB 5.000 . 5.000 2.645 2.459 2.824 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
125 2 13 GLY QA 2 16 ILE MD 5.000 . 5.000 2.521 2.160 3.772 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
126 2 13 GLY QA 2 16 ILE H 5.000 . 5.000 3.641 3.488 3.773 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
127 2 13 GLY QA 2 17 VAL H 5.000 . 5.000 4.035 3.706 4.204 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
128 2 13 GLY QA 2 31 ILE MD 5.000 . 5.000 2.952 2.562 3.724 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
129 2 13 GLY QA 2 34 LEU QD 5.000 . 5.000 1.702 1.526 1.822 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
130 2 13 GLY H 2 14 ARG H 2.700 . 2.700 2.902 2.837 2.971 0.271 32 0 "[ . 1 . 2 . 3 . 4]" 1
131 2 13 GLY H 2 15 GLU H 0.000 . 5.000 4.299 4.153 4.526 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
132 2 13 GLY H 2 34 LEU QD 5.000 . 5.000 2.494 2.235 2.715 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
133 2 14 ARG HA 2 14 ARG QD 5.000 . 5.000 2.194 1.746 3.721 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
134 2 14 ARG HA 2 14 ARG HE 5.000 . 5.000 3.977 2.784 4.934 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
135 2 14 ARG HA 2 15 GLU H 5.000 . 5.000 3.613 3.583 3.632 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
136 2 14 ARG HA 2 16 ILE H 5.000 . 5.000 4.514 4.235 4.707 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
137 2 14 ARG HA 2 17 VAL HB 5.000 . 5.000 2.501 1.694 3.761 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
138 2 14 ARG HA 2 17 VAL QG 5.000 . 5.000 2.042 1.596 2.330 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
139 2 14 ARG HA 2 17 VAL H 5.000 . 5.000 3.299 2.869 3.677 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
140 2 14 ARG HA 2 18 THR MG 5.000 . 5.000 3.771 3.192 4.182 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
141 2 14 ARG QB 2 14 ARG HE 5.000 . 5.000 3.643 2.128 4.351 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
142 2 14 ARG H 2 14 ARG QB 2.700 . 2.700 2.130 1.981 2.272 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
143 2 14 ARG QB 2 15 GLU H 5.000 . 5.000 2.719 2.464 2.856 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
144 2 14 ARG QD 2 17 VAL QG 5.000 . 5.000 2.426 1.845 3.470 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
145 2 14 ARG QD 2 18 THR MG 5.000 . 5.000 2.675 1.762 3.785 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
146 2 14 ARG H 2 14 ARG QG 5.000 . 5.000 3.857 3.542 4.083 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
147 2 14 ARG QG 2 17 VAL QG 5.000 . 5.000 3.210 2.266 3.428 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
148 2 14 ARG H 2 15 GLU H 3.300 . 3.300 2.940 2.848 3.025 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
149 2 14 ARG H 2 16 ILE H 0.000 . 5.000 4.399 4.276 4.561 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
150 2 14 ARG H 2 17 VAL QG 5.000 . 5.000 3.800 3.639 3.870 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
151 2 15 GLU HA 2 16 ILE H 5.000 . 5.000 3.567 3.537 3.586 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
152 2 15 GLU HA 2 18 THR MG 5.000 . 5.000 3.391 2.272 4.237 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
153 2 15 GLU HA 2 18 THR H 5.000 . 5.000 3.407 3.068 3.723 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
154 2 15 GLU H 2 15 GLU QB 2.700 . 2.700 2.257 2.179 2.299 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
155 2 15 GLU QB 2 16 ILE HA 5.000 . 5.000 4.073 4.025 4.120 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
156 2 15 GLU QB 2 16 ILE H 3.300 . 3.300 2.537 2.449 2.617 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
157 2 15 GLU QB 2 45 LEU HA 5.000 . 5.000 3.847 3.638 4.124 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
158 2 15 GLU QB 2 45 LEU QD 5.000 . 5.000 1.659 1.512 1.794 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
159 2 15 GLU H 2 15 GLU QG 5.000 . 5.000 2.387 2.284 2.787 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
160 2 15 GLU QG 2 16 ILE H 5.000 . 5.000 4.156 4.095 4.217 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
161 2 15 GLU QG 2 45 LEU QD 5.000 . 5.000 2.734 2.009 3.079 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
162 2 15 GLU H 2 45 LEU QD 5.000 . 5.000 3.494 3.297 3.656 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
163 2 16 ILE HA 2 17 VAL H 5.000 . 5.000 3.517 3.500 3.539 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
164 2 16 ILE HA 2 19 LEU QD 5.000 . 5.000 1.894 1.718 2.127 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
165 2 16 ILE HA 2 19 LEU HG 5.000 . 5.000 4.400 3.209 4.632 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
166 2 16 ILE HA 2 19 LEU H 5.000 . 5.000 3.921 3.719 4.150 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
167 2 16 ILE HA 2 22 LEU QD 5.000 . 5.000 3.640 3.379 3.831 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
168 2 16 ILE HA 2 45 LEU HA 5.000 . 5.000 4.005 3.543 4.191 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
169 2 16 ILE HA 2 45 LEU QD 5.000 . 5.000 3.661 3.290 3.777 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
170 2 16 ILE HA 2 48 ALA MB 5.000 . 5.000 1.979 1.753 2.270 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
171 2 16 ILE H 2 16 ILE HB 2.700 . 2.700 2.263 2.120 2.530 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
172 2 16 ILE HB 2 17 VAL HB 5.000 . 5.000 4.379 3.297 4.925 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
173 2 16 ILE HB 2 17 VAL QG 5.000 . 5.000 3.819 3.551 4.064 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
174 2 16 ILE HB 2 17 VAL H 3.300 . 3.300 2.789 2.456 2.980 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
175 2 16 ILE HB 2 31 ILE MD 5.000 . 5.000 3.721 3.295 4.131 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
176 2 16 ILE HB 2 34 LEU QD 5.000 . 5.000 3.313 2.961 3.666 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
177 2 16 ILE HB 2 48 ALA MB 5.000 . 5.000 3.795 3.641 3.971 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
178 2 16 ILE H 2 16 ILE MD 5.000 . 5.000 3.294 3.155 3.736 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
179 2 16 ILE MD 2 30 PHE QB 5.000 . 5.000 3.213 2.379 3.725 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
180 2 16 ILE MD 2 34 LEU HB2 5.000 . 5.000 3.028 2.651 3.286 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
181 2 16 ILE MD 2 34 LEU QD 5.000 . 5.000 2.009 1.706 2.639 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
182 2 16 ILE MD 2 44 LEU HB3 5.000 . 5.000 1.776 1.661 1.888 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
183 2 16 ILE MD 2 44 LEU HB2 5.000 . 5.000 2.977 2.699 3.128 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
184 2 16 ILE MD 2 44 LEU QD 5.000 . 5.000 2.454 2.246 2.706 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
185 2 16 ILE MD 2 44 LEU H 5.000 . 5.000 4.226 4.173 4.263 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
186 2 16 ILE MD 2 45 LEU HA 5.000 . 5.000 2.334 2.083 2.643 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
187 2 16 ILE MD 2 45 LEU QB 5.000 . 5.000 2.746 2.618 3.099 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
188 2 16 ILE MD 2 45 LEU QD 5.000 . 5.000 3.169 3.089 3.232 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
189 2 16 ILE MD 2 45 LEU H 5.000 . 5.000 2.603 2.458 2.718 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
190 2 16 ILE H 2 16 ILE QG 3.300 . 3.300 2.249 2.055 2.475 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
191 2 16 ILE QG 2 45 LEU HA 5.000 . 5.000 1.833 1.670 2.061 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
192 2 16 ILE QG 2 45 LEU QD 5.000 . 5.000 2.261 2.104 2.799 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
193 2 16 ILE QG 2 48 ALA MB 5.000 . 5.000 1.750 1.643 2.676 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
194 2 16 ILE MG 2 17 VAL HA 5.000 . 5.000 3.652 3.355 3.855 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
195 2 16 ILE MG 2 17 VAL H 5.000 . 5.000 3.494 3.209 3.639 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
196 2 16 ILE MG 2 19 LEU QD 5.000 . 5.000 3.006 2.852 3.119 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
197 2 16 ILE MG 2 27 LYS HA 5.000 . 5.000 2.627 2.426 3.048 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
198 2 16 ILE MG 2 27 LYS HB3 5.000 . 5.000 3.461 3.086 3.819 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
199 2 16 ILE MG 2 27 LYS HB2 5.000 . 5.000 3.409 2.968 3.701 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
200 2 16 ILE MG 2 30 PHE QB 5.000 . 5.000 1.816 1.674 2.048 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
201 2 16 ILE MG 2 30 PHE QD 5.000 . 5.000 2.025 1.684 2.290 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
202 2 16 ILE MG 2 31 ILE HA 5.000 . 5.000 3.416 3.185 3.650 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
203 2 16 ILE MG 2 31 ILE HB 5.000 . 5.000 4.069 3.589 4.266 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
204 2 16 ILE MG 2 31 ILE QG 5.000 . 5.000 2.234 1.790 2.479 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
205 2 16 ILE MG 2 31 ILE H 5.000 . 5.000 3.099 2.747 3.281 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
206 2 16 ILE MG 2 44 LEU QD 5.000 . 5.000 3.179 3.129 3.259 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
207 2 16 ILE MG 2 48 ALA MB 5.000 . 5.000 2.139 1.775 2.548 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
208 2 16 ILE H 2 18 THR H 5.000 . 5.000 4.218 3.984 4.409 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
209 2 16 ILE H 2 19 LEU QD 5.000 . 5.000 3.822 3.776 3.917 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
210 2 16 ILE H 2 45 LEU QD 5.000 . 5.000 3.014 2.715 3.425 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
211 2 16 ILE H 2 48 ALA MB 5.000 . 5.000 3.930 3.758 4.160 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
212 2 17 VAL HA 2 18 THR H 5.000 . 5.000 3.574 3.468 3.621 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
213 2 17 VAL HA 2 27 LYS HB2 5.000 . 5.000 2.458 2.131 3.155 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
214 2 17 VAL HA 2 27 LYS QD 5.000 . 5.000 2.792 2.378 3.208 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
215 2 17 VAL HA 2 27 LYS QE 5.000 . 5.000 3.809 3.056 4.518 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
216 2 17 VAL HA 2 31 ILE MD 5.000 . 5.000 3.337 2.870 3.669 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
217 2 17 VAL H 2 17 VAL HB 3.300 . 3.300 2.161 1.999 2.295 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
218 2 17 VAL HB 2 18 THR MG 5.000 . 5.000 3.618 2.491 4.330 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
219 2 17 VAL HB 2 18 THR H 5.000 . 5.000 3.205 2.547 4.088 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
220 2 17 VAL HB 2 31 ILE MD 5.000 . 5.000 2.873 1.556 3.653 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
221 2 17 VAL QG 2 18 THR HA 5.000 . 5.000 3.517 3.147 3.719 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
222 2 17 VAL QG 2 18 THR MG 5.000 . 5.000 2.423 1.643 3.194 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
223 2 17 VAL QG 2 18 THR H 5.000 . 5.000 2.883 2.211 3.192 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
224 2 17 VAL QG 2 27 LYS QD 5.000 . 5.000 3.202 2.988 3.401 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
225 2 17 VAL QG 2 31 ILE MD 5.000 . 5.000 1.561 1.465 1.738 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
226 2 17 VAL QG 2 31 ILE QG 5.000 . 5.000 2.541 2.366 2.785 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
227 2 17 VAL H 2 18 THR MG 5.000 . 5.000 4.021 3.779 4.172 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
228 2 17 VAL H 2 18 THR H 3.300 . 3.300 2.616 2.462 2.737 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
229 2 17 VAL H 2 19 LEU QD 5.000 . 5.000 3.765 3.588 3.884 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
230 2 17 VAL H 2 19 LEU H 5.000 . 5.000 4.385 4.112 4.526 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
231 2 17 VAL H 2 31 ILE MD 5.000 . 5.000 3.518 3.326 3.734 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
232 2 17 VAL H 2 31 ILE QG 5.000 . 5.000 3.937 3.651 4.081 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
233 2 18 THR HA 2 19 LEU H 5.000 . 5.000 3.232 2.947 3.623 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
234 2 18 THR MG 2 19 LEU H 5.000 . 5.000 3.898 2.640 4.371 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
235 2 18 THR H 2 19 LEU HB3 5.000 . 5.000 4.729 4.520 5.062 0.062 33 0 "[ . 1 . 2 . 3 . 4]" 1
236 2 18 THR H 2 19 LEU H 2.700 . 2.700 2.635 2.282 2.785 0.085 2 0 "[ . 1 . 2 . 3 . 4]" 1
237 2 19 LEU HA 2 20 PRO QD 3.300 . 3.300 2.139 1.755 2.472 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
238 2 19 LEU HA 2 20 PRO QG 5.000 . 5.000 4.052 3.716 4.345 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
239 2 19 LEU HA 2 21 ASN H 5.000 . 5.000 4.586 3.964 4.808 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
240 2 19 LEU HA 2 52 ASN QD 5.000 . 5.000 4.553 4.394 4.666 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
241 2 19 LEU H 2 19 LEU HB3 2.700 . 2.700 2.721 2.505 2.786 0.086 7 0 "[ . 1 . 2 . 3 . 4]" 1
242 2 19 LEU HB3 2 21 ASN H 5.000 . 5.000 5.076 4.896 5.243 0.243 28 0 "[ . 1 . 2 . 3 . 4]" 1
243 2 19 LEU HB3 2 48 ALA MB 5.000 . 5.000 3.589 3.050 4.200 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
244 2 19 LEU HB2 2 20 PRO QD 5.000 . 5.000 2.071 1.644 2.977 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
245 2 19 LEU HB2 2 22 LEU QB 5.000 . 5.000 3.999 3.554 4.640 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
246 2 19 LEU HB2 2 22 LEU H 5.000 . 5.000 4.385 3.672 5.071 0.071 10 0 "[ . 1 . 2 . 3 . 4]" 1
247 2 19 LEU HB2 2 52 ASN HB2 5.000 . 5.000 3.772 3.330 4.440 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
248 2 19 LEU H 2 19 LEU QD 5.000 . 5.000 1.909 1.746 2.165 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
249 2 19 LEU QD 2 20 PRO QD 5.000 . 5.000 3.254 2.749 3.505 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
250 2 19 LEU QD 2 21 ASN QB 5.000 . 5.000 3.301 2.790 3.430 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
251 2 19 LEU QD 2 22 LEU QD 5.000 . 5.000 1.664 1.503 1.873 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
252 2 19 LEU QD 2 48 ALA HA 5.000 . 5.000 2.934 2.746 3.360 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
253 2 19 LEU QD 2 48 ALA MB 5.000 . 5.000 1.754 1.626 2.321 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
254 2 19 LEU QD 2 49 LYS HA 5.000 . 5.000 2.365 1.961 3.315 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
255 2 19 LEU QD 2 49 LYS QG 5.000 . 5.000 3.047 2.547 3.346 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
256 2 19 LEU QD 2 49 LYS H 5.000 . 5.000 3.398 3.146 3.816 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
257 2 19 LEU QD 2 52 ASN HB2 5.000 . 5.000 1.823 1.732 2.181 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
258 2 19 LEU QD 2 52 ASN QD 5.000 . 5.000 2.424 1.890 2.934 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
259 2 19 LEU QD 2 52 ASN H 5.000 . 5.000 2.929 2.713 3.267 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
260 2 19 LEU H 2 19 LEU HG 0.000 . 5.000 2.489 2.042 3.891 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
261 2 19 LEU H 2 20 PRO QD 5.000 . 5.000 4.433 4.194 4.501 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
262 2 19 LEU H 2 22 LEU QD 5.000 . 5.000 3.788 3.619 3.899 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
263 2 19 LEU H 2 27 LYS QE 5.000 . 5.000 4.086 3.483 4.558 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
264 2 19 LEU H 2 48 ALA MB 5.000 . 5.000 4.477 4.351 4.568 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
265 2 20 PRO HA 2 21 ASN H 5.000 . 5.000 3.604 3.537 3.640 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
266 2 20 PRO HA 2 22 LEU H 5.000 . 5.000 4.371 3.899 4.883 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
267 2 20 PRO QD 2 21 ASN H 5.000 . 5.000 3.026 2.055 3.429 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
268 2 20 PRO QD 2 52 ASN QD 5.000 . 5.000 2.734 2.399 4.036 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
269 2 20 PRO QG 2 21 ASN H 3.300 . 3.300 2.664 2.330 2.936 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
270 2 21 ASN HA 2 22 LEU H 5.000 . 5.000 3.259 3.040 3.565 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
271 2 21 ASN QB 2 22 LEU H 5.000 . 5.000 3.515 2.786 3.803 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
272 2 21 ASN QB 2 52 ASN HA 5.000 . 5.000 2.686 2.534 2.800 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
273 2 21 ASN QB 2 55 GLN HB2 5.000 . 5.000 3.229 2.976 4.080 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
274 2 21 ASN QB 2 55 GLN QE 5.000 . 5.000 3.710 3.435 4.104 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
275 2 21 ASN QB 2 56 ALA MB 5.000 . 5.000 1.907 1.783 2.514 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
276 2 21 ASN H 2 21 ASN QD 5.000 . 5.000 3.984 3.763 4.459 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
277 2 21 ASN QD 2 52 ASN HA 5.000 . 5.000 4.548 4.471 4.620 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
278 2 21 ASN QD 2 52 ASN QD 5.000 . 5.000 3.186 2.450 3.977 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
279 2 21 ASN QD 2 53 ASP HA 5.000 . 5.000 2.925 2.655 3.308 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
280 2 21 ASN QD 2 56 ALA HA 5.000 . 5.000 4.424 4.121 4.487 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
281 2 21 ASN QD 2 56 ALA MB 5.000 . 5.000 2.513 2.239 2.652 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
282 2 21 ASN QD 2 56 ALA H 5.000 . 5.000 3.664 3.451 3.833 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
283 2 21 ASN QD 2 57 PRO QD 5.000 . 5.000 3.998 3.880 4.051 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
284 2 21 ASN H 2 22 LEU H 2.700 . 2.700 2.648 2.399 2.767 0.067 16 0 "[ . 1 . 2 . 3 . 4]" 1
285 2 21 ASN H 2 52 ASN QD 5.000 . 5.000 2.620 1.969 4.149 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
286 2 22 LEU HA 2 23 ASN H 2.700 . 2.700 2.298 2.242 2.434 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
287 2 22 LEU HA 2 52 ASN HA 5.000 . 5.000 3.061 2.748 3.228 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
288 2 22 LEU HA 2 55 GLN QE 3.300 . 3.300 1.851 1.763 1.914 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
289 2 22 LEU H 2 22 LEU QB 3.300 . 3.300 2.237 1.984 2.360 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
290 2 22 LEU QB 2 23 ASN H 3.300 . 3.300 3.201 2.970 3.296 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
291 2 22 LEU QB 2 27 LYS QE 5.000 . 5.000 2.360 1.776 4.088 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
292 2 22 LEU QB 2 52 ASN H 5.000 . 5.000 4.384 3.187 4.602 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
293 2 22 LEU H 2 22 LEU QD 5.000 . 5.000 3.510 2.012 3.712 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
294 2 22 LEU QD 2 23 ASN H 5.000 . 5.000 2.942 2.061 3.460 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
295 2 22 LEU QD 2 26 GLN QB 5.000 . 5.000 2.119 1.745 3.371 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
296 2 22 LEU QD 2 26 GLN H 5.000 . 5.000 3.785 3.518 3.866 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
297 2 22 LEU QD 2 27 LYS HA 5.000 . 5.000 2.520 2.150 2.844 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
298 2 22 LEU QD 2 27 LYS QE 5.000 . 5.000 1.958 1.667 2.561 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
299 2 22 LEU QD 2 27 LYS QG 5.000 . 5.000 2.712 1.867 3.163 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
300 2 22 LEU QD 2 48 ALA HA 5.000 . 5.000 2.630 2.254 3.022 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
301 2 22 LEU QD 2 48 ALA MB 5.000 . 5.000 2.880 2.485 3.102 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
302 2 22 LEU QD 2 51 LEU HB3 5.000 . 5.000 2.393 2.122 2.744 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
303 2 22 LEU QD 2 51 LEU HB2 5.000 . 5.000 3.632 3.386 3.822 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
304 2 22 LEU QD 2 51 LEU HG 5.000 . 5.000 2.858 2.022 3.880 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
305 2 22 LEU QD 2 52 ASN HA 5.000 . 5.000 2.830 2.059 3.863 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
306 2 22 LEU QD 2 52 ASN HB2 5.000 . 5.000 3.275 2.556 3.801 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
307 2 22 LEU QD 2 52 ASN H 5.000 . 5.000 2.972 2.534 3.713 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
308 2 22 LEU QD 2 55 GLN QE 5.000 . 5.000 2.595 1.908 3.341 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
309 2 22 LEU H 2 22 LEU HG 0.000 . 5.000 4.409 3.668 4.547 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
310 2 22 LEU HG 2 27 LYS QE 5.000 . 5.000 3.092 2.042 4.448 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
311 2 22 LEU HG 2 27 LYS QG 5.000 . 5.000 4.180 3.307 4.575 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
312 2 22 LEU HG 2 27 LYS H 5.000 . 5.000 3.470 2.831 5.082 0.082 26 0 "[ . 1 . 2 . 3 . 4]" 1
313 2 22 LEU H 2 23 ASN H 5.000 . 5.000 4.586 4.537 4.683 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
314 2 22 LEU H 2 27 LYS QE 5.000 . 5.000 4.380 4.000 4.536 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
315 2 22 LEU H 2 52 ASN HA 5.000 . 5.000 4.143 3.295 4.580 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
316 2 23 ASN HA 2 24 ASP HA 5.000 . 5.000 4.330 4.273 4.349 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
317 2 23 ASN HA 2 24 ASP HB3 5.000 . 5.000 4.593 4.338 4.702 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
318 2 23 ASN HA 2 24 ASP H 3.300 . 3.300 2.412 2.289 2.511 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
319 2 23 ASN HA 2 25 PRO QD 5.000 . 5.000 3.603 3.482 3.748 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
320 2 23 ASN HB3 2 23 ASN QD 3.300 . 3.300 2.595 2.248 3.013 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
321 2 23 ASN HB3 2 24 ASP H 5.000 . 5.000 3.959 3.679 4.102 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
322 2 23 ASN HB3 2 25 PRO QD 5.000 . 5.000 3.637 3.466 3.882 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
323 2 23 ASN HB2 2 24 ASP H 2.700 . 2.700 2.688 2.410 2.824 0.124 38 0 "[ . 1 . 2 . 3 . 4]" 1
324 2 23 ASN HB2 2 25 PRO QD 5.000 . 5.000 2.300 1.929 2.861 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
325 2 23 ASN HB2 2 26 GLN H 5.000 . 5.000 4.541 3.994 5.036 0.036 30 0 "[ . 1 . 2 . 3 . 4]" 1
326 2 23 ASN H 2 23 ASN QD 5.000 . 5.000 3.785 1.933 4.160 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
327 2 23 ASN QD 2 25 PRO QD 5.000 . 5.000 3.101 2.382 3.807 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
328 2 23 ASN QD 2 26 GLN QG 5.000 . 5.000 2.710 1.824 4.000 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
329 2 23 ASN QD 2 26 GLN H 5.000 . 5.000 3.640 2.054 4.464 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
330 2 23 ASN H 2 24 ASP H 5.000 . 5.000 4.601 4.527 4.672 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
331 2 23 ASN H 2 26 GLN QB 3.300 . 3.300 2.956 2.754 3.306 0.006 31 0 "[ . 1 . 2 . 3 . 4]" 1
332 2 23 ASN H 2 26 GLN QE 5.000 . 5.000 3.434 2.181 4.598 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
333 2 23 ASN H 2 26 GLN H 5.000 . 5.000 3.995 3.568 4.274 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
334 2 23 ASN H 2 52 ASN HA 5.000 . 5.000 5.177 4.924 5.273 0.273 23 0 "[ . 1 . 2 . 3 . 4]" 1
335 2 23 ASN H 2 55 GLN QE 2.700 . 2.700 2.438 2.171 2.521 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
336 2 24 ASP H 2 24 ASP HA 2.700 . 2.700 2.778 2.731 2.813 0.113 33 0 "[ . 1 . 2 . 3 . 4]" 1
337 2 24 ASP HA 2 25 PRO QD 5.000 . 5.000 3.615 3.597 3.634 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
338 2 24 ASP HA 2 26 GLN H 5.000 . 5.000 4.552 4.221 4.796 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
339 2 24 ASP HA 2 27 LYS HB2 5.000 . 5.000 4.646 4.342 4.823 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
340 2 24 ASP HA 2 27 LYS QD 5.000 . 5.000 1.894 1.720 2.239 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
341 2 24 ASP HA 2 27 LYS QE 5.000 . 5.000 3.115 2.517 4.291 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
342 2 24 ASP HA 2 27 LYS QG 5.000 . 5.000 2.181 1.964 2.387 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
343 2 24 ASP HA 2 27 LYS H 5.000 . 5.000 3.909 3.562 4.147 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
344 2 24 ASP HA 2 28 LYS H 5.000 . 5.000 4.116 3.925 4.209 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
345 2 24 ASP H 2 24 ASP HB3 3.300 . 3.300 2.419 2.014 2.488 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
346 2 24 ASP HB3 2 25 PRO QD 5.000 . 5.000 3.720 3.137 3.755 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
347 2 24 ASP HB2 2 25 PRO QD 5.000 . 5.000 3.739 3.651 3.957 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
348 2 24 ASP H 2 25 PRO QD 5.000 . 5.000 2.517 2.356 2.667 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
349 2 24 ASP H 2 26 GLN H 5.000 . 5.000 4.746 4.528 4.919 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
350 2 25 PRO HA 2 26 GLN H 5.000 . 5.000 3.625 3.579 3.650 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
351 2 25 PRO HA 2 28 LYS QB 5.000 . 5.000 2.523 2.210 2.881 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
352 2 25 PRO HA 2 28 LYS QD 5.000 . 5.000 4.507 4.134 4.635 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
353 2 25 PRO HA 2 28 LYS H 5.000 . 5.000 3.723 3.502 3.920 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
354 2 25 PRO HA 2 29 ALA H 5.000 . 5.000 4.280 4.075 4.545 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
355 2 25 PRO QB 2 26 GLN H 5.000 . 5.000 3.167 3.052 3.323 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
356 2 25 PRO QD 2 26 GLN H 5.000 . 5.000 2.748 2.489 2.888 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
357 2 25 PRO QG 2 26 GLN H 5.000 . 5.000 2.370 2.251 2.615 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
358 2 26 GLN HA 2 27 LYS H 5.000 . 5.000 3.622 3.599 3.654 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
359 2 26 GLN HA 2 29 ALA MB 5.000 . 5.000 2.914 2.253 3.449 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
360 2 26 GLN HA 2 29 ALA H 5.000 . 5.000 3.594 3.094 3.996 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
361 2 26 GLN H 2 26 GLN QB 3.300 . 3.300 2.310 1.979 2.517 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
362 2 26 GLN QB 2 27 LYS H 5.000 . 5.000 2.470 2.118 3.410 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
363 2 26 GLN H 2 26 GLN QE 5.000 . 5.000 4.156 3.158 4.632 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
364 2 26 GLN QE 2 51 LEU QD 5.000 . 5.000 2.238 1.856 3.318 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
365 2 26 GLN QE 2 55 GLN QE 5.000 . 5.000 2.595 2.023 3.994 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
366 2 26 GLN H 2 26 GLN QG 3.300 . 3.300 2.294 1.861 3.081 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
367 2 26 GLN QG 2 27 LYS H 5.000 . 5.000 3.998 2.335 4.417 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
368 2 26 GLN H 2 27 LYS H 5.000 . 5.000 2.789 2.622 2.904 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
369 2 26 GLN H 2 28 LYS H 5.000 . 5.000 4.039 3.879 4.221 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
370 2 27 LYS HA 2 27 LYS QD 5.000 . 5.000 4.444 4.297 4.507 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
371 2 27 LYS HA 2 28 LYS H 5.000 . 5.000 3.544 3.518 3.578 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
372 2 27 LYS HA 2 30 PHE QB 5.000 . 5.000 2.789 1.755 4.494 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
373 2 27 LYS HA 2 30 PHE QD 5.000 . 5.000 2.928 1.915 3.652 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
374 2 27 LYS HA 2 30 PHE H 5.000 . 5.000 3.434 3.157 3.699 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
375 2 27 LYS H 2 27 LYS HB3 2.700 . 2.700 2.864 2.797 3.127 0.427 26 0 "[ . 1 . 2 . 3 . 4]" 1
376 2 27 LYS HB3 2 28 LYS H 5.000 . 5.000 4.108 4.036 4.298 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
377 2 27 LYS HB2 2 28 LYS H 3.300 . 3.300 3.501 3.420 3.591 0.291 23 0 "[ . 1 . 2 . 3 . 4]" 1
378 2 27 LYS H 2 27 LYS QD 5.000 . 5.000 3.841 3.682 3.945 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
379 2 27 LYS QD 2 28 LYS H 5.000 . 5.000 4.250 4.180 4.365 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
380 2 27 LYS H 2 27 LYS QE 5.000 . 5.000 2.922 2.495 3.972 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
381 2 27 LYS H 2 27 LYS QG 5.000 . 5.000 1.748 1.692 1.863 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
382 2 27 LYS H 2 28 LYS H 5.000 . 5.000 2.768 2.669 2.908 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
383 2 28 LYS HA 2 29 ALA H 5.000 . 5.000 3.617 3.579 3.643 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
384 2 28 LYS HA 2 30 PHE H 5.000 . 5.000 4.559 4.303 5.003 0.003 6 0 "[ . 1 . 2 . 3 . 4]" 1
385 2 28 LYS HA 2 31 ILE HB 5.000 . 5.000 3.015 2.523 3.244 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
386 2 28 LYS HA 2 31 ILE MD 5.000 . 5.000 4.409 4.314 4.494 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
387 2 28 LYS HA 2 31 ILE QG 5.000 . 5.000 4.076 3.820 4.249 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
388 2 28 LYS HA 2 31 ILE MG 5.000 . 5.000 4.039 3.601 4.277 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
389 2 28 LYS HA 2 32 PHE QD 5.000 . 5.000 3.157 2.735 3.394 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
390 2 28 LYS HA 2 32 PHE H 5.000 . 5.000 3.964 3.576 4.180 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
391 2 28 LYS H 2 28 LYS QB 3.300 . 3.300 2.048 1.949 2.386 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
392 2 28 LYS QB 2 29 ALA H 2.700 . 2.700 2.347 2.252 2.543 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
393 2 28 LYS QD 2 32 PHE QE 5.000 . 5.000 3.266 2.786 4.030 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
394 2 28 LYS QE 2 32 PHE QE 5.000 . 5.000 2.071 1.899 2.296 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
395 2 28 LYS H 2 28 LYS QG 5.000 . 5.000 3.021 2.438 3.314 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
396 2 28 LYS QG 2 29 ALA H 5.000 . 5.000 4.207 3.986 4.301 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
397 2 28 LYS QG 2 32 PHE QE 5.000 . 5.000 3.967 2.778 4.134 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
398 2 28 LYS H 2 29 ALA H 5.000 . 5.000 2.885 2.668 3.024 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
399 2 29 ALA HA 2 30 PHE H 5.000 . 5.000 3.582 3.533 3.670 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
400 2 29 ALA HA 2 32 PHE QB 5.000 . 5.000 2.729 2.228 3.702 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
401 2 29 ALA HA 2 32 PHE H 5.000 . 5.000 3.858 3.560 4.369 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
402 2 29 ALA HA 2 33 SER H 5.000 . 5.000 4.245 3.937 4.610 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
403 2 29 ALA MB 2 30 PHE HA 5.000 . 5.000 3.929 3.874 3.961 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
404 2 29 ALA MB 2 30 PHE H 5.000 . 5.000 2.526 2.306 2.680 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
405 2 29 ALA H 2 30 PHE H 5.000 . 5.000 2.792 2.611 3.082 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
406 2 29 ALA H 2 31 ILE H 5.000 . 5.000 4.470 4.183 4.669 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
407 2 30 PHE HA 2 31 ILE H 5.000 . 5.000 3.583 3.565 3.616 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
408 2 30 PHE HA 2 32 PHE H 5.000 . 5.000 4.574 4.484 4.629 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
409 2 30 PHE HA 2 33 SER HB3 5.000 . 5.000 3.871 3.292 4.142 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
410 2 30 PHE HA 2 33 SER H 3.300 . 3.300 3.458 3.178 3.578 0.278 37 0 "[ . 1 . 2 . 3 . 4]" 1
411 2 30 PHE HA 2 34 LEU H 5.000 . 5.000 4.023 3.643 4.237 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
412 2 30 PHE HA 2 44 LEU QD 5.000 . 5.000 2.669 2.305 2.971 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
413 2 30 PHE QB 2 31 ILE H 5.000 . 5.000 2.618 2.242 3.276 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
414 2 30 PHE H 2 30 PHE QD 5.000 . 5.000 3.034 2.496 3.477 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
415 2 30 PHE QD 2 31 ILE HA 5.000 . 5.000 4.665 4.562 4.852 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
416 2 30 PHE QD 2 31 ILE H 5.000 . 5.000 3.770 2.732 4.329 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
417 2 30 PHE QD 2 44 LEU HA 5.000 . 5.000 3.944 3.365 4.397 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
418 2 30 PHE QD 2 44 LEU QD 5.000 . 5.000 2.414 1.821 3.404 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
419 2 30 PHE QD 2 47 GLU QB 5.000 . 5.000 3.607 2.225 4.052 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
420 2 30 PHE QD 2 48 ALA HA 5.000 . 5.000 4.074 3.752 4.383 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
421 2 30 PHE QD 2 51 LEU QD 5.000 . 5.000 3.195 2.699 3.503 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
422 2 30 PHE QE 2 47 GLU QB 5.000 . 5.000 2.492 1.705 3.997 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
423 2 30 PHE QE 2 48 ALA HA 5.000 . 5.000 3.180 2.802 3.559 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
424 2 30 PHE QE 2 51 LEU QD 5.000 . 5.000 1.769 1.635 2.118 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
425 2 30 PHE H 2 31 ILE HB 5.000 . 5.000 4.606 4.504 4.791 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
426 2 30 PHE H 2 31 ILE H 5.000 . 5.000 2.739 2.556 2.859 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
427 2 30 PHE H 2 32 PHE H 5.000 . 5.000 4.153 3.896 4.568 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
428 2 31 ILE HA 2 32 PHE H 5.000 . 5.000 3.583 3.565 3.614 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
429 2 31 ILE HA 2 34 LEU HB3 3.300 . 3.300 2.080 1.948 2.318 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
430 2 31 ILE HA 2 34 LEU HB2 5.000 . 5.000 3.009 2.588 3.665 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
431 2 31 ILE HA 2 34 LEU QD 5.000 . 5.000 2.366 1.841 2.691 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
432 2 31 ILE HA 2 34 LEU H 5.000 . 5.000 3.240 3.086 3.506 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
433 2 31 ILE HA 2 35 TRP H 5.000 . 5.000 3.924 3.817 4.134 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
434 2 31 ILE HA 2 44 LEU QD 5.000 . 5.000 3.795 3.680 3.868 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
435 2 31 ILE HB 2 32 PHE H 5.000 . 5.000 2.604 2.528 2.668 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
436 2 31 ILE H 2 31 ILE MD 5.000 . 5.000 4.067 3.994 4.190 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
437 2 31 ILE MD 2 34 LEU QD 5.000 . 5.000 3.203 3.112 3.273 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
438 2 31 ILE H 2 31 ILE QG 5.000 . 5.000 2.624 2.512 2.753 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
439 2 31 ILE QG 2 32 PHE H 5.000 . 5.000 4.203 4.156 4.248 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
440 2 31 ILE MG 2 32 PHE HA 5.000 . 5.000 3.048 2.916 3.156 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
441 2 31 ILE MG 2 32 PHE QD 5.000 . 5.000 2.612 2.359 2.754 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
442 2 31 ILE MG 2 32 PHE QE 5.000 . 5.000 3.231 3.064 3.356 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
443 2 31 ILE MG 2 32 PHE H 5.000 . 5.000 3.000 2.833 3.162 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
444 2 31 ILE H 2 32 PHE H 5.000 . 5.000 2.705 2.591 2.908 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
445 2 31 ILE H 2 33 SER H 5.000 . 5.000 4.123 3.986 4.245 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
446 2 32 PHE HA 2 32 PHE QE 5.000 . 5.000 4.436 4.364 4.486 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
447 2 32 PHE HA 2 33 SER H 5.000 . 5.000 3.616 3.584 3.644 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
448 2 32 PHE HA 2 34 LEU H 5.000 . 5.000 4.370 4.294 4.428 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
449 2 32 PHE HA 2 35 TRP QB 5.000 . 5.000 2.735 2.422 3.021 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
450 2 32 PHE HA 2 35 TRP H 5.000 . 5.000 3.479 3.341 3.647 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
451 2 32 PHE HA 2 36 ASP H 5.000 . 5.000 4.230 3.966 4.525 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
452 2 32 PHE H 2 32 PHE QB 3.300 . 3.300 2.144 2.113 2.188 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
453 2 32 PHE QB 2 33 SER H 5.000 . 5.000 2.868 2.741 2.972 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
454 2 32 PHE H 2 32 PHE QD 5.000 . 5.000 2.118 2.018 2.323 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
455 2 32 PHE H 2 33 SER H 3.300 . 3.300 2.782 2.724 2.850 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
456 2 32 PHE H 2 34 LEU H 5.000 . 5.000 4.008 3.952 4.089 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
457 2 33 SER HA 2 34 LEU H 5.000 . 5.000 3.553 3.536 3.579 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
458 2 33 SER HA 2 36 ASP QB 5.000 . 5.000 2.709 2.295 3.581 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
459 2 33 SER HA 2 36 ASP H 5.000 . 5.000 3.354 3.102 3.718 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
460 2 33 SER H 2 33 SER HB3 2.700 . 2.700 2.596 2.452 2.695 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
461 2 33 SER HB3 2 34 LEU H 5.000 . 5.000 3.982 3.839 4.079 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
462 2 33 SER HB3 2 44 LEU QD 5.000 . 5.000 3.766 3.658 3.798 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
463 2 33 SER HB2 2 34 LEU H 5.000 . 5.000 3.931 3.833 4.017 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
464 2 33 SER HB2 2 37 ASP H 5.000 . 5.000 4.772 4.531 5.011 0.011 1 0 "[ . 1 . 2 . 3 . 4]" 1
465 2 33 SER HB2 2 44 LEU QD 5.000 . 5.000 3.185 2.998 3.441 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
466 2 33 SER H 2 34 LEU HB3 5.000 . 5.000 4.336 4.017 4.702 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
467 2 33 SER H 2 34 LEU H 5.000 . 5.000 2.431 2.340 2.546 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
468 2 33 SER H 2 35 TRP H 5.000 . 5.000 4.031 3.915 4.255 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
469 2 33 SER H 2 44 LEU QD 5.000 . 5.000 3.741 3.604 3.804 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
470 2 34 LEU HA 2 35 TRP H 5.000 . 5.000 3.558 3.537 3.571 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
471 2 34 LEU HA 2 37 ASP H 5.000 . 5.000 3.819 3.625 4.170 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
472 2 34 LEU HA 2 38 PRO HA 5.000 . 5.000 3.116 2.542 3.485 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
473 2 34 LEU HA 2 44 LEU HB2 5.000 . 5.000 4.288 4.071 4.544 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
474 2 34 LEU HA 2 44 LEU QD 5.000 . 5.000 1.744 1.633 2.594 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
475 2 34 LEU H 2 34 LEU HB3 3.300 . 3.300 2.265 1.948 2.529 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
476 2 34 LEU HB3 2 35 TRP HA 5.000 . 5.000 4.551 4.246 5.016 0.016 26 0 "[ . 1 . 2 . 3 . 4]" 1
477 2 34 LEU HB3 2 44 LEU QD 5.000 . 5.000 3.191 2.688 3.480 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
478 2 34 LEU H 2 34 LEU HB2 2.700 . 2.700 2.593 2.394 2.877 0.177 26 0 "[ . 1 . 2 . 3 . 4]" 1
479 2 34 LEU HB2 2 35 TRP H 5.000 . 5.000 3.909 3.712 4.221 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
480 2 34 LEU HB2 2 44 LEU HB2 5.000 . 5.000 3.873 3.454 4.323 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
481 2 34 LEU H 2 34 LEU QD 5.000 . 5.000 3.643 3.445 3.684 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
482 2 34 LEU QD 2 35 TRP H 5.000 . 5.000 3.676 3.454 3.765 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
483 2 34 LEU QD 2 38 PRO HA 5.000 . 5.000 2.724 2.535 3.101 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
484 2 34 LEU QD 2 38 PRO QB 5.000 . 5.000 3.311 3.195 3.350 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
485 2 34 LEU QD 2 41 SER HA 5.000 . 5.000 1.936 1.804 2.548 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
486 2 34 LEU QD 2 41 SER QB 5.000 . 5.000 2.253 1.969 2.651 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
487 2 34 LEU QD 2 44 LEU HB2 5.000 . 5.000 2.543 2.315 3.117 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
488 2 34 LEU QD 2 44 LEU QD 5.000 . 5.000 1.959 1.781 2.633 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
489 2 34 LEU QD 2 45 LEU H 5.000 . 5.000 3.775 3.714 3.872 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
490 2 34 LEU HG 2 35 TRP HA 5.000 . 5.000 3.704 3.430 4.108 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
491 2 34 LEU H 2 35 TRP QB 5.000 . 5.000 4.283 4.190 4.377 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
492 2 34 LEU H 2 35 TRP H 3.300 . 3.300 2.621 2.539 2.692 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
493 2 34 LEU H 2 36 ASP H 5.000 . 5.000 4.225 4.103 4.605 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
494 2 34 LEU H 2 44 LEU QD 5.000 . 5.000 2.631 2.384 2.746 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
495 2 35 TRP HA 2 35 TRP HE3 5.000 . 5.000 2.428 2.220 2.539 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
496 2 35 TRP HA 2 36 ASP H 5.000 . 5.000 3.603 3.592 3.639 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
497 2 35 TRP HA 2 37 ASP H 5.000 . 5.000 4.769 4.629 4.921 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
498 2 35 TRP H 2 35 TRP QB 2.700 . 2.700 2.177 2.113 2.221 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
499 2 35 TRP QB 2 36 ASP H 2.700 . 2.700 2.366 2.195 2.442 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
500 2 35 TRP H 2 35 TRP HE3 5.000 . 5.000 4.421 4.300 4.576 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
501 2 35 TRP H 2 36 ASP H 3.300 . 3.300 2.715 2.656 2.810 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
502 2 35 TRP H 2 37 ASP H 5.000 . 5.000 4.190 3.780 4.400 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
503 2 36 ASP HA 2 37 ASP H 5.000 . 5.000 3.586 3.521 3.600 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
504 2 36 ASP HA 2 38 PRO QD 5.000 . 5.000 3.983 3.225 4.473 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
505 2 36 ASP H 2 36 ASP QB 2.700 . 2.700 2.163 2.041 2.337 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
506 2 36 ASP QB 2 37 ASP H 5.000 . 5.000 2.491 2.347 2.968 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
507 2 36 ASP H 2 37 ASP HA 5.000 . 5.000 5.237 5.162 5.279 0.279 39 0 "[ . 1 . 2 . 3 . 4]" 1
508 2 36 ASP H 2 37 ASP H 3.300 . 3.300 2.660 2.441 2.811 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
509 2 37 ASP HA 2 38 PRO QD 3.300 . 3.300 2.119 1.970 2.385 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
510 2 37 ASP HA 2 38 PRO QG 5.000 . 5.000 3.966 3.830 4.133 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
511 2 37 ASP HA 2 39 SER H 5.000 . 5.000 3.146 3.055 3.240 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
512 2 37 ASP HB3 2 40 GLN QE 5.000 . 5.000 3.877 2.131 4.474 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
513 2 37 ASP HB3 2 40 GLN H 5.000 . 5.000 3.678 3.242 4.148 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
514 2 37 ASP HB2 2 40 GLN QE 5.000 . 5.000 4.302 2.125 4.529 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
515 2 37 ASP HB2 2 40 GLN QG 5.000 . 5.000 3.410 2.912 4.495 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
516 2 37 ASP H 2 38 PRO QD 5.000 . 5.000 3.182 2.669 3.529 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
517 2 37 ASP H 2 39 SER H 5.000 . 5.000 5.078 5.019 5.112 0.112 27 0 "[ . 1 . 2 . 3 . 4]" 1
518 2 38 PRO HA 2 39 SER H 5.000 . 5.000 3.425 3.392 3.457 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
519 2 38 PRO HA 2 40 GLN H 5.000 . 5.000 3.716 3.594 3.794 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
520 2 38 PRO HA 2 41 SER QB 5.000 . 5.000 2.499 2.072 3.599 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
521 2 38 PRO HA 2 41 SER H 5.000 . 5.000 3.160 2.576 3.513 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
522 2 38 PRO HA 2 44 LEU QD 5.000 . 5.000 3.228 2.892 3.716 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
523 2 38 PRO QB 2 39 SER H 5.000 . 5.000 3.710 3.657 3.745 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
524 2 38 PRO QB 2 41 SER HA 5.000 . 5.000 4.673 4.536 4.813 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
525 2 38 PRO QD 2 39 SER H 5.000 . 5.000 2.997 2.878 3.215 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
526 2 38 PRO QG 2 39 SER HB2 5.000 . 5.000 4.454 4.339 4.514 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
527 2 38 PRO QG 2 39 SER H 5.000 . 5.000 3.199 3.075 3.293 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
528 2 39 SER HA 2 40 GLN H 5.000 . 5.000 3.540 3.520 3.551 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
529 2 39 SER HA 2 41 SER H 5.000 . 5.000 3.752 3.653 4.155 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
530 2 39 SER H 2 39 SER HB3 3.300 . 3.300 2.964 2.864 3.018 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
531 2 39 SER H 2 39 SER HB2 3.300 . 3.300 2.053 2.010 2.102 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
532 2 39 SER HB2 2 40 GLN H 3.300 . 3.300 3.410 3.381 3.443 0.143 33 0 "[ . 1 . 2 . 3 . 4]" 1
533 2 39 SER H 2 40 GLN HB2 5.000 . 5.000 4.997 4.195 5.073 0.073 26 0 "[ . 1 . 2 . 3 . 4]" 1
534 2 39 SER H 2 40 GLN H 2.700 . 2.700 2.561 2.500 2.667 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
535 2 39 SER H 2 41 SER H 0.000 . 5.000 3.987 3.799 4.211 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
536 2 40 GLN HA 2 40 GLN QE 5.000 . 5.000 4.203 3.692 4.595 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
537 2 40 GLN HA 2 41 SER H 5.000 . 5.000 3.249 3.176 3.553 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
538 2 40 GLN HA 2 42 ALA H 5.000 . 5.000 3.967 3.717 4.273 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
539 2 40 GLN HA 2 43 ASN QB 5.000 . 5.000 2.873 2.686 3.078 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
540 2 40 GLN HA 2 43 ASN H 3.300 . 3.300 3.328 3.252 3.455 0.155 37 0 "[ . 1 . 2 . 3 . 4]" 1
541 2 40 GLN HA 2 44 LEU H 5.000 . 5.000 4.371 4.052 4.760 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
542 2 40 GLN HB3 2 41 SER H 5.000 . 5.000 4.539 3.824 4.636 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
543 2 40 GLN HB3 2 43 ASN QB 5.000 . 5.000 2.476 2.166 3.257 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
544 2 40 GLN HB3 2 43 ASN H 5.000 . 5.000 4.254 3.987 4.616 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
545 2 40 GLN HB3 2 44 LEU HG 5.000 . 5.000 3.826 2.351 4.647 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
546 2 40 GLN HB3 2 44 LEU H 5.000 . 5.000 4.069 3.561 4.272 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
547 2 40 GLN H 2 40 GLN HB2 2.700 . 2.700 2.653 1.994 2.746 0.046 38 0 "[ . 1 . 2 . 3 . 4]" 1
548 2 40 GLN HB2 2 44 LEU QD 5.000 . 5.000 1.897 1.708 2.893 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
549 2 40 GLN H 2 40 GLN QG 5.000 . 5.000 2.132 1.885 3.690 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
550 2 40 GLN QG 2 44 LEU QD 5.000 . 5.000 3.426 3.375 3.454 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
551 2 40 GLN H 2 41 SER H 5.000 . 5.000 2.720 2.608 2.863 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
552 2 40 GLN H 2 44 LEU QD 5.000 . 5.000 3.470 3.085 3.723 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
553 2 41 SER HA 2 42 ALA H 5.000 . 5.000 3.602 3.579 3.622 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
554 2 41 SER HA 2 43 ASN H 5.000 . 5.000 4.563 4.283 4.713 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
555 2 41 SER HA 2 44 LEU HB2 5.000 . 5.000 2.102 1.943 2.224 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
556 2 41 SER HA 2 44 LEU QD 5.000 . 5.000 1.951 1.686 2.163 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
557 2 41 SER HA 2 44 LEU H 5.000 . 5.000 3.237 3.004 3.359 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
558 2 41 SER HA 2 45 LEU H 5.000 . 5.000 3.850 3.570 4.040 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
559 2 41 SER H 2 41 SER QB 2.700 . 2.700 2.263 2.115 2.438 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
560 2 41 SER QB 2 42 ALA H 5.000 . 5.000 2.883 2.400 3.545 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
561 2 41 SER QB 2 44 LEU QD 5.000 . 5.000 3.383 3.336 3.575 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
562 2 41 SER QB 2 44 LEU H 5.000 . 5.000 4.685 4.543 4.767 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
563 2 41 SER H 2 42 ALA H 5.000 . 5.000 2.942 2.862 3.345 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
564 2 41 SER H 2 43 ASN H 5.000 . 5.000 4.334 4.236 4.654 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
565 2 41 SER H 2 44 LEU QD 5.000 . 5.000 3.327 2.758 3.528 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
566 2 42 ALA HA 2 43 ASN H 5.000 . 5.000 3.577 3.557 3.590 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
567 2 42 ALA HA 2 44 LEU H 5.000 . 5.000 4.326 4.229 4.507 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
568 2 42 ALA HA 2 45 LEU QB 5.000 . 5.000 2.939 2.648 3.152 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
569 2 42 ALA HA 2 45 LEU QD 5.000 . 5.000 3.614 3.248 3.786 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
570 2 42 ALA HA 2 45 LEU H 5.000 . 5.000 3.809 3.621 4.014 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
571 2 42 ALA HA 2 46 ALA H 5.000 . 5.000 4.283 3.935 4.471 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
572 2 42 ALA H 2 42 ALA MB 3.300 . 3.300 2.179 2.154 2.192 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
573 2 42 ALA MB 2 43 ASN HA 5.000 . 5.000 3.914 3.824 3.969 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
574 2 42 ALA MB 2 43 ASN QB 5.000 . 5.000 3.662 3.587 3.825 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
575 2 42 ALA MB 2 43 ASN H 5.000 . 5.000 2.355 2.201 2.428 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
576 2 42 ALA H 2 43 ASN QB 5.000 . 5.000 4.298 4.147 4.407 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
577 2 42 ALA H 2 43 ASN H 2.700 . 2.700 2.651 2.576 2.733 0.033 37 0 "[ . 1 . 2 . 3 . 4]" 1
578 2 42 ALA H 2 44 LEU H 5.000 . 5.000 3.877 3.796 3.939 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
579 2 43 ASN H 2 43 ASN HA 2.700 . 2.700 2.863 2.850 2.879 0.179 37 0 "[ . 1 . 2 . 3 . 4]" 1
580 2 43 ASN HA 2 44 LEU H 5.000 . 5.000 3.577 3.554 3.602 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
581 2 43 ASN HA 2 45 LEU H 5.000 . 5.000 4.738 4.626 4.865 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
582 2 43 ASN HA 2 46 ALA MB 5.000 . 5.000 2.415 2.247 2.623 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
583 2 43 ASN HA 2 46 ALA H 5.000 . 5.000 3.561 3.443 3.695 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
584 2 43 ASN HA 2 47 GLU H 5.000 . 5.000 3.862 3.690 3.984 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
585 2 43 ASN H 2 43 ASN QB 3.300 . 3.300 2.164 2.098 2.191 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
586 2 43 ASN QB 2 44 LEU HG 5.000 . 5.000 3.946 3.648 4.869 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
587 2 43 ASN QB 2 44 LEU H 5.000 . 5.000 2.710 2.311 2.841 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
588 2 43 ASN H 2 43 ASN QD 5.000 . 5.000 4.209 2.509 4.550 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
589 2 43 ASN H 2 44 LEU H 3.300 . 3.300 2.641 2.612 2.674 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
590 2 43 ASN H 2 45 LEU H 0.000 . 5.000 4.440 4.277 4.530 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
591 2 44 LEU HA 2 45 LEU H 3.300 . 3.300 3.508 3.493 3.522 0.222 32 0 "[ . 1 . 2 . 3 . 4]" 1
592 2 44 LEU HA 2 47 GLU QB 5.000 . 5.000 2.321 2.055 2.659 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
593 2 44 LEU HA 2 47 GLU QG 5.000 . 5.000 3.834 3.191 4.353 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
594 2 44 LEU HA 2 47 GLU H 5.000 . 5.000 3.367 3.239 3.744 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
595 2 44 LEU HA 2 48 ALA H 5.000 . 5.000 4.042 3.854 4.189 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
596 2 44 LEU H 2 44 LEU HB2 2.700 . 2.700 2.027 1.994 2.110 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
597 2 44 LEU HB2 2 45 LEU H 5.000 . 5.000 2.563 2.379 2.671 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
598 2 44 LEU H 2 44 LEU QD 5.000 . 5.000 3.049 1.931 3.169 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
599 2 44 LEU QD 2 45 LEU H 5.000 . 5.000 3.862 3.690 3.905 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
600 2 44 LEU QD 2 47 GLU QB 5.000 . 5.000 3.417 3.333 3.476 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
601 2 44 LEU H 2 44 LEU HG 5.000 . 5.000 3.065 2.723 3.783 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
602 2 44 LEU HG 2 45 LEU H 5.000 . 5.000 4.618 4.519 4.743 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
603 2 44 LEU H 2 45 LEU H 3.300 . 3.300 2.652 2.556 2.738 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
604 2 44 LEU H 2 46 ALA H 5.000 . 5.000 3.999 3.830 4.156 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
605 2 44 LEU H 2 47 GLU QB 5.000 . 5.000 4.397 4.281 4.505 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
606 2 45 LEU HA 2 46 ALA H 5.000 . 5.000 3.569 3.558 3.584 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
607 2 45 LEU HA 2 47 GLU H 5.000 . 5.000 4.627 4.494 4.820 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
608 2 45 LEU HA 2 48 ALA MB 5.000 . 5.000 2.434 2.204 2.647 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
609 2 45 LEU HA 2 48 ALA H 5.000 . 5.000 3.519 3.299 3.752 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
610 2 45 LEU H 2 45 LEU QB 2.700 . 2.700 2.113 1.998 2.198 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
611 2 45 LEU QB 2 46 ALA H 3.300 . 3.300 2.430 2.311 2.573 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
612 2 45 LEU QB 2 49 LYS QE 5.000 . 5.000 4.005 3.828 4.086 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
613 2 45 LEU H 2 45 LEU QD 5.000 . 5.000 3.646 3.543 3.691 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
614 2 45 LEU QD 2 46 ALA HA 5.000 . 5.000 3.722 2.922 3.902 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
615 2 45 LEU QD 2 46 ALA H 5.000 . 5.000 3.587 3.018 3.719 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
616 2 45 LEU QD 2 48 ALA MB 5.000 . 5.000 2.925 2.648 3.167 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
617 2 45 LEU QD 2 49 LYS QE 5.000 . 5.000 1.861 1.641 2.416 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
618 2 45 LEU H 2 45 LEU HG 5.000 . 5.000 4.246 3.824 4.450 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
619 2 45 LEU HG 2 46 ALA H 5.000 . 5.000 3.924 3.209 5.016 0.016 31 0 "[ . 1 . 2 . 3 . 4]" 1
620 2 45 LEU H 2 46 ALA MB 5.000 . 5.000 4.242 4.178 4.294 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
621 2 45 LEU H 2 46 ALA H 5.000 . 5.000 2.744 2.648 2.856 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
622 2 45 LEU H 2 47 GLU H 5.000 . 5.000 4.116 3.985 4.264 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
623 2 45 LEU H 2 48 ALA MB 5.000 . 5.000 4.406 4.303 4.483 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
624 2 46 ALA HA 2 47 GLU H 5.000 . 5.000 3.580 3.561 3.601 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
625 2 46 ALA HA 2 49 LYS QB 5.000 . 5.000 2.867 2.709 3.009 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
626 2 46 ALA HA 2 49 LYS QD 5.000 . 5.000 3.020 2.369 4.295 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
627 2 46 ALA HA 2 49 LYS H 5.000 . 5.000 3.562 3.392 3.731 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
628 2 46 ALA HA 2 50 LYS QD 5.000 . 5.000 4.152 3.172 4.570 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
629 2 46 ALA HA 2 50 LYS QG 5.000 . 5.000 3.854 3.410 4.542 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
630 2 46 ALA HA 2 50 LYS H 5.000 . 5.000 3.948 3.679 4.189 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
631 2 46 ALA H 2 46 ALA MB 3.300 . 3.300 2.088 1.960 2.140 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
632 2 46 ALA MB 2 47 GLU HA 5.000 . 5.000 3.854 3.768 3.903 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
633 2 46 ALA MB 2 47 GLU QB 5.000 . 5.000 3.712 3.616 3.865 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
634 2 46 ALA MB 2 47 GLU H 5.000 . 5.000 2.326 2.139 2.428 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
635 2 46 ALA MB 2 48 ALA H 5.000 . 5.000 4.305 4.253 4.346 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
636 2 46 ALA H 2 47 GLU QB 5.000 . 5.000 4.251 4.186 4.328 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
637 2 46 ALA H 2 47 GLU H 2.700 . 2.700 2.650 2.591 2.714 0.014 10 0 "[ . 1 . 2 . 3 . 4]" 1
638 2 47 GLU H 2 47 GLU HA 2.700 . 2.700 2.833 2.822 2.846 0.146 32 0 "[ . 1 . 2 . 3 . 4]" 1
639 2 47 GLU HA 2 48 ALA H 5.000 . 5.000 3.540 3.523 3.553 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
640 2 47 GLU HA 2 50 LYS HB2 3.300 . 3.300 2.422 2.139 2.812 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
641 2 47 GLU HA 2 50 LYS QD 5.000 . 5.000 2.781 1.877 4.456 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
642 2 47 GLU HA 2 50 LYS H 5.000 . 5.000 3.615 3.339 3.923 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
643 2 47 GLU HA 2 51 LEU H 5.000 . 5.000 3.756 3.548 3.935 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
644 2 47 GLU H 2 47 GLU QB 3.300 . 3.300 2.117 2.000 2.191 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
645 2 47 GLU QB 2 48 ALA MB 5.000 . 5.000 3.797 3.742 3.839 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
646 2 47 GLU QB 2 48 ALA H 3.300 . 3.300 2.619 2.508 2.685 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
647 2 47 GLU H 2 47 GLU QG 5.000 . 5.000 3.658 2.348 4.037 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
648 2 47 GLU QG 2 48 ALA H 5.000 . 5.000 4.058 3.689 4.527 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
649 2 47 GLU H 2 48 ALA MB 5.000 . 5.000 4.158 4.124 4.190 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
650 2 47 GLU H 2 48 ALA H 2.700 . 2.700 2.694 2.655 2.732 0.032 25 0 "[ . 1 . 2 . 3 . 4]" 1
651 2 47 GLU H 2 50 LYS HB2 0.000 . 5.000 4.713 4.596 4.900 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
652 2 48 ALA HA 2 49 LYS H 5.000 . 5.000 3.594 3.575 3.618 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
653 2 48 ALA HA 2 50 LYS H 5.000 . 5.000 4.722 4.577 4.885 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
654 2 48 ALA HA 2 51 LEU HB3 5.000 . 5.000 2.881 2.583 3.083 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
655 2 48 ALA HA 2 51 LEU H 5.000 . 5.000 3.714 3.345 3.952 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
656 2 48 ALA HA 2 52 ASN H 5.000 . 5.000 4.205 3.983 4.431 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
657 2 48 ALA H 2 48 ALA MB 3.300 . 3.300 1.951 1.926 2.020 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
658 2 48 ALA MB 2 49 LYS HA 5.000 . 5.000 3.821 3.786 3.869 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
659 2 48 ALA MB 2 49 LYS QG 5.000 . 5.000 3.127 2.901 3.699 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
660 2 48 ALA MB 2 49 LYS H 5.000 . 5.000 2.455 2.334 2.544 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
661 2 48 ALA H 2 50 LYS H 5.000 . 5.000 4.074 3.983 4.198 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
662 2 48 ALA H 2 51 LEU HB3 5.000 . 5.000 5.139 5.029 5.294 0.294 16 0 "[ . 1 . 2 . 3 . 4]" 1
663 2 48 ALA H 2 51 LEU H 5.000 . 5.000 4.567 4.412 4.651 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
664 2 49 LYS HA 2 50 LYS H 5.000 . 5.000 3.591 3.571 3.616 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
665 2 49 LYS HA 2 52 ASN HB3 3.300 . 3.300 2.763 2.317 3.106 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
666 2 49 LYS HA 2 52 ASN HB2 5.000 . 5.000 4.180 3.681 4.467 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
667 2 49 LYS HA 2 52 ASN QD 5.000 . 5.000 2.814 1.776 4.036 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
668 2 49 LYS HA 2 52 ASN H 5.000 . 5.000 3.525 3.242 3.726 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
669 2 49 LYS HA 2 53 ASP H 5.000 . 5.000 4.597 4.213 5.073 0.073 13 0 "[ . 1 . 2 . 3 . 4]" 1
670 2 49 LYS H 2 49 LYS QB 3.300 . 3.300 2.320 2.138 2.393 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
671 2 49 LYS QB 2 50 LYS H 2.700 . 2.700 2.437 2.361 2.515 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
672 2 49 LYS H 2 49 LYS QD 5.000 . 5.000 3.510 1.997 4.141 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
673 2 49 LYS H 2 49 LYS QG 3.300 . 3.300 2.235 2.032 3.055 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
674 2 49 LYS QG 2 50 LYS H 5.000 . 5.000 4.080 3.931 4.406 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
675 2 49 LYS H 2 50 LYS H 3.300 . 3.300 2.738 2.625 2.822 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
676 2 49 LYS H 2 51 LEU H 5.000 . 5.000 4.173 3.921 4.262 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
677 2 49 LYS H 2 52 ASN HB3 5.000 . 5.000 4.862 4.450 5.087 0.087 32 0 "[ . 1 . 2 . 3 . 4]" 1
678 2 50 LYS HA 2 50 LYS QD 5.000 . 5.000 4.000 2.102 4.160 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
679 2 50 LYS HA 2 51 LEU H 5.000 . 5.000 3.582 3.566 3.599 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
680 2 50 LYS HA 2 52 ASN H 5.000 . 5.000 4.493 4.318 4.673 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
681 2 50 LYS HA 2 53 ASP QB 5.000 . 5.000 2.928 2.317 3.440 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
682 2 50 LYS HA 2 53 ASP H 5.000 . 5.000 3.589 3.241 3.887 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
683 2 50 LYS HB2 2 51 LEU H 3.300 . 3.300 2.618 2.470 2.876 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
684 2 50 LYS H 2 50 LYS QG 5.000 . 5.000 2.279 2.091 3.377 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
685 2 50 LYS QG 2 58 LYS QE 5.000 . 5.000 4.003 3.945 4.069 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
686 2 50 LYS H 2 51 LEU H 5.000 . 5.000 2.733 2.646 2.806 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
687 2 50 LYS H 2 52 ASN H 5.000 . 5.000 4.189 4.038 4.350 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
688 2 51 LEU HA 2 51 LEU HB2 2.700 . 2.700 2.507 2.435 2.639 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
689 2 51 LEU HA 2 52 ASN H 5.000 . 5.000 3.588 3.563 3.609 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
690 2 51 LEU HA 2 54 ALA MB 5.000 . 5.000 2.839 2.580 3.031 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
691 2 51 LEU HA 2 54 ALA H 3.300 . 3.300 3.351 3.258 3.438 0.138 26 0 "[ . 1 . 2 . 3 . 4]" 1
692 2 51 LEU H 2 51 LEU HB3 2.700 . 2.700 2.488 2.318 2.703 0.003 16 0 "[ . 1 . 2 . 3 . 4]" 1
693 2 51 LEU HB3 2 52 ASN H 3.300 . 3.300 2.642 2.333 2.791 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
694 2 51 LEU H 2 51 LEU QD 5.000 . 5.000 3.645 3.464 3.715 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
695 2 51 LEU QD 2 54 ALA MB 5.000 . 5.000 2.605 2.343 3.068 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
696 2 51 LEU QD 2 54 ALA H 5.000 . 5.000 3.778 3.661 3.870 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
697 2 51 LEU QD 2 55 GLN QG 5.000 . 5.000 3.236 2.742 3.354 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
698 2 51 LEU HG 2 52 ASN H 5.000 . 5.000 4.250 3.635 4.957 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
699 2 51 LEU H 2 52 ASN HB3 5.000 . 5.000 4.404 4.303 4.473 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
700 2 51 LEU H 2 52 ASN H 5.000 . 5.000 2.673 2.577 2.756 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
701 2 52 ASN HA 2 53 ASP H 5.000 . 5.000 3.553 3.537 3.566 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
702 2 52 ASN HA 2 54 ALA H 5.000 . 5.000 4.214 4.032 4.357 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
703 2 52 ASN HA 2 55 GLN HB2 5.000 . 5.000 3.149 2.909 3.513 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
704 2 52 ASN HA 2 55 GLN H 5.000 . 5.000 3.617 3.442 3.778 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
705 2 52 ASN HB3 2 52 ASN QD 3.300 . 3.300 2.637 2.261 2.981 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
706 2 52 ASN H 2 52 ASN HB3 2.700 . 2.700 1.981 1.903 2.018 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
707 2 52 ASN HB3 2 53 ASP H 5.000 . 5.000 3.495 3.408 3.562 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
708 2 52 ASN H 2 52 ASN HB2 0.000 . 3.300 3.333 3.237 3.368 0.068 16 0 "[ . 1 . 2 . 3 . 4]" 1
709 2 52 ASN HB2 2 53 ASP H 0.000 . 5.000 4.191 4.099 4.251 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
710 2 52 ASN H 2 52 ASN QD 5.000 . 5.000 4.155 3.557 4.557 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
711 2 52 ASN QD 2 53 ASP HA 5.000 . 5.000 4.629 4.528 4.725 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
712 2 52 ASN QD 2 53 ASP H 5.000 . 5.000 4.159 3.557 4.470 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
713 2 52 ASN H 2 53 ASP H 3.300 . 3.300 2.709 2.593 2.832 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
714 2 52 ASN H 2 54 ALA H 5.000 . 5.000 4.259 4.094 4.394 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
715 2 53 ASP HA 2 54 ALA H 5.000 . 5.000 3.568 3.555 3.584 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
716 2 53 ASP HA 2 55 GLN H 5.000 . 5.000 4.323 4.129 4.480 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
717 2 53 ASP HA 2 56 ALA MB 5.000 . 5.000 4.286 4.202 4.368 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
718 2 53 ASP HA 2 56 ALA H 5.000 . 5.000 3.402 3.206 3.534 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
719 2 53 ASP HA 2 58 LYS H 5.000 . 5.000 3.721 2.343 4.190 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
720 2 53 ASP H 2 53 ASP QB 3.300 . 3.300 2.161 2.048 2.437 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
721 2 53 ASP QB 2 54 ALA HA 5.000 . 5.000 4.054 3.915 4.166 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
722 2 53 ASP QB 2 54 ALA MB 5.000 . 5.000 3.758 3.722 3.798 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
723 2 53 ASP QB 2 54 ALA H 5.000 . 5.000 2.683 2.573 2.823 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
724 2 53 ASP H 2 54 ALA MB 5.000 . 5.000 4.221 4.199 4.250 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
725 2 53 ASP H 2 54 ALA H 2.700 . 2.700 2.685 2.651 2.716 0.016 34 0 "[ . 1 . 2 . 3 . 4]" 1
726 2 54 ALA HA 2 55 GLN H 5.000 . 5.000 3.558 3.537 3.572 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
727 2 54 ALA HA 2 56 ALA H 5.000 . 5.000 4.693 4.504 4.903 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
728 2 54 ALA MB 2 55 GLN HA 5.000 . 5.000 3.944 3.902 3.991 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
729 2 54 ALA MB 2 55 GLN QG 5.000 . 5.000 2.799 2.632 2.946 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
730 2 54 ALA MB 2 55 GLN H 5.000 . 5.000 2.580 2.493 2.660 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
731 2 54 ALA H 2 55 GLN QE 5.000 . 5.000 4.572 4.513 4.638 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
732 2 54 ALA H 2 55 GLN H 3.300 . 3.300 2.658 2.549 2.727 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
733 2 54 ALA H 2 56 ALA H 5.000 . 5.000 4.047 3.945 4.176 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
734 2 55 GLN HA 2 55 GLN QE 5.000 . 5.000 4.417 4.325 4.475 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
735 2 55 GLN HA 2 56 ALA H 5.000 . 5.000 3.569 3.556 3.583 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
736 2 55 GLN HB3 2 55 GLN QE 3.300 . 3.300 3.155 3.113 3.186 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
737 2 55 GLN H 2 55 GLN HB2 2.700 . 2.700 2.172 2.116 2.216 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
738 2 55 GLN HB2 2 56 ALA H 5.000 . 5.000 2.695 2.564 2.876 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
739 2 55 GLN H 2 55 GLN QE 5.000 . 5.000 3.061 2.954 3.168 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
740 2 55 GLN H 2 55 GLN QG 3.300 . 3.300 2.535 2.387 2.770 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
741 2 55 GLN QG 2 56 ALA H 5.000 . 5.000 4.207 4.124 4.317 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
742 2 55 GLN H 2 56 ALA MB 5.000 . 5.000 4.275 4.236 4.310 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
743 2 55 GLN H 2 56 ALA H 2.700 . 2.700 2.383 2.277 2.436 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
744 2 56 ALA HA 2 57 PRO QD 2.700 . 2.700 2.129 2.066 2.177 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
745 2 56 ALA HA 2 57 PRO QG 5.000 . 5.000 4.045 3.989 4.087 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
746 2 56 ALA H 2 56 ALA MB 3.300 . 3.300 2.447 2.381 2.560 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
747 2 56 ALA MB 2 57 PRO QD 5.000 . 5.000 2.463 2.334 2.652 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
748 2 56 ALA H 2 57 PRO HA 0.000 . 5.000 4.917 4.794 5.011 0.011 26 0 "[ . 1 . 2 . 3 . 4]" 1
749 2 56 ALA H 2 57 PRO QD 5.000 . 5.000 4.376 4.311 4.415 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
750 2 57 PRO HA 2 58 LYS HB2 5.000 . 5.000 4.511 4.051 4.754 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
751 2 57 PRO HA 2 58 LYS H 2.700 . 2.700 2.307 2.251 2.712 0.012 40 0 "[ . 1 . 2 . 3 . 4]" 1
752 2 57 PRO QB 2 58 LYS H 5.000 . 5.000 3.153 2.912 4.039 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
753 2 57 PRO QG 2 58 LYS H 5.000 . 5.000 4.531 4.445 4.584 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
754 2 58 LYS HA 2 58 LYS QD 5.000 . 5.000 3.940 3.772 4.122 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
755 2 58 LYS H 2 58 LYS QG 5.000 . 5.000 2.417 2.118 2.749 . 0 0 "[ . 1 . 2 . 3 . 4]" 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 745
_Distance_constraint_stats_list.Viol_count 494
_Distance_constraint_stats_list.Viol_total 2406.604
_Distance_constraint_stats_list.Viol_max 0.400
_Distance_constraint_stats_list.Viol_rms 0.0198
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0020
_Distance_constraint_stats_list.Viol_average_violations_only 0.1218
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 3 ASN 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 4 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 5 PHE 5.416 0.250 29 0 "[ . 1 . 2 . 3 . 4]"
1 6 ASN 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 7 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 8 GLU 11.774 0.400 38 0 "[ . 1 . 2 . 3 . 4]"
1 9 GLN 11.774 0.400 38 0 "[ . 1 . 2 . 3 . 4]"
1 10 GLN 0.826 0.064 37 0 "[ . 1 . 2 . 3 . 4]"
1 11 ASN 0.826 0.064 37 0 "[ . 1 . 2 . 3 . 4]"
1 12 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 13 PHE 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 14 TYR 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 15 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 16 ILE 0.019 0.019 28 0 "[ . 1 . 2 . 3 . 4]"
1 17 LEU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 18 HIS 0.333 0.038 29 0 "[ . 1 . 2 . 3 . 4]"
1 19 LEU 0.352 0.038 29 0 "[ . 1 . 2 . 3 . 4]"
1 20 PRO 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 21 ASN 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 22 LEU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 23 ASN 8.217 0.296 30 0 "[ . 1 . 2 . 3 . 4]"
1 24 GLU 11.286 0.296 30 0 "[ . 1 . 2 . 3 . 4]"
1 25 GLU 5.032 0.206 15 0 "[ . 1 . 2 . 3 . 4]"
1 26 GLN 1.968 0.206 15 0 "[ . 1 . 2 . 3 . 4]"
1 27 ARG 0.068 0.068 18 0 "[ . 1 . 2 . 3 . 4]"
1 28 ASN 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 29 ALA 0.003 0.003 15 0 "[ . 1 . 2 . 3 . 4]"
1 30 PHE 0.003 0.003 15 0 "[ . 1 . 2 . 3 . 4]"
1 31 ILE 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 32 GLN 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 33 SER 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 34 LEU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 35 LYS 0.029 0.014 21 0 "[ . 1 . 2 . 3 . 4]"
1 36 ASP 0.029 0.014 21 0 "[ . 1 . 2 . 3 . 4]"
1 37 ASP 0.199 0.042 11 0 "[ . 1 . 2 . 3 . 4]"
1 38 PRO 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 39 SER 3.415 0.173 11 0 "[ . 1 . 2 . 3 . 4]"
1 40 GLN 0.325 0.044 8 0 "[ . 1 . 2 . 3 . 4]"
1 41 SER 0.325 0.044 8 0 "[ . 1 . 2 . 3 . 4]"
1 42 ALA 3.415 0.173 11 0 "[ . 1 . 2 . 3 . 4]"
1 43 ASN 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 44 LEU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 45 LEU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 46 ALA 11.495 0.366 26 0 "[ . 1 . 2 . 3 . 4]"
1 47 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 48 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 49 LYS 17.190 0.366 26 0 "[ . 1 . 2 . 3 . 4]"
1 50 LYS 5.695 0.170 19 0 "[ . 1 . 2 . 3 . 4]"
1 51 LEU 3.646 0.141 39 0 "[ . 1 . 2 . 3 . 4]"
1 52 ASN 7.319 0.141 39 0 "[ . 1 . 2 . 3 . 4]"
1 53 ASP 3.659 0.114 1 0 "[ . 1 . 2 . 3 . 4]"
1 54 ALA 0.014 0.008 38 0 "[ . 1 . 2 . 3 . 4]"
1 55 GLN 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 56 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 57 PRO 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 58 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
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 ASN QB 1 4 LYS H 5.000 . 5.000 3.322 2.094 4.117 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
2 1 4 LYS HA 1 4 LYS QD 5.000 . 5.000 4.223 3.759 4.405 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
3 1 4 LYS HA 1 5 PHE H 5.000 . 5.000 3.573 2.864 3.621 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
4 1 4 LYS HA 1 6 ASN H 5.000 . 5.000 4.262 3.970 4.802 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
5 1 4 LYS HA 1 7 LYS QB 5.000 . 5.000 4.324 3.787 4.528 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
6 1 4 LYS HA 1 7 LYS H 5.000 . 5.000 4.153 3.825 4.748 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
7 1 4 LYS QB 1 5 PHE QD 5.000 . 5.000 3.898 2.940 4.088 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
8 1 4 LYS QB 1 5 PHE H 5.000 . 5.000 3.067 1.990 4.091 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
9 1 4 LYS QD 1 5 PHE QE 5.000 . 5.000 3.392 2.497 3.999 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
10 1 4 LYS QD 1 5 PHE HZ 5.000 . 5.000 4.288 3.609 4.535 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
11 1 4 LYS QE 1 5 PHE QE 5.000 . 5.000 2.686 1.903 3.978 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
12 1 4 LYS QE 1 5 PHE HZ 5.000 . 5.000 3.361 2.498 4.488 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
13 1 4 LYS H 1 4 LYS QG 5.000 . 5.000 2.543 1.895 4.113 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
14 1 4 LYS QG 1 5 PHE QD 5.000 . 5.000 2.756 2.002 4.255 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
15 1 4 LYS QG 1 5 PHE H 5.000 . 5.000 2.273 1.856 3.829 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
16 1 4 LYS QG 1 5 PHE HZ 5.000 . 5.000 4.386 3.800 4.683 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
17 1 5 PHE H 1 5 PHE HA 2.700 . 2.700 2.835 2.761 2.950 0.250 29 0 "[ . 1 . 2 . 3 . 4]" 2
18 1 5 PHE HB3 1 6 ASN H 5.000 . 5.000 3.839 3.445 4.000 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
19 1 5 PHE HB3 1 9 GLN QG 5.000 . 5.000 3.278 2.865 4.071 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
20 1 5 PHE HB3 1 38 PRO QB 5.000 . 5.000 2.361 1.909 2.990 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
21 1 5 PHE HB2 1 38 PRO QB 5.000 . 5.000 3.362 2.605 4.302 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
22 1 5 PHE QD 1 8 GLU QG 5.000 . 5.000 3.342 2.388 4.052 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
23 1 5 PHE QD 1 38 PRO QB 5.000 . 5.000 3.448 2.131 4.005 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
24 1 5 PHE QD 1 39 SER HA 5.000 . 5.000 3.109 2.085 3.629 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
25 1 5 PHE QE 1 39 SER HA 5.000 . 5.000 2.969 2.290 3.696 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
26 1 5 PHE QE 1 39 SER QB 5.000 . 5.000 3.401 2.557 4.035 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
27 1 5 PHE HZ 1 39 SER HA 5.000 . 5.000 3.603 2.950 4.581 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
28 1 5 PHE HZ 1 39 SER QB 5.000 . 5.000 3.890 2.968 4.479 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
29 1 6 ASN HA 1 6 ASN QD 3.300 . 3.300 2.631 2.157 3.017 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
30 1 6 ASN QB 1 7 LYS H 5.000 . 5.000 2.322 2.021 2.525 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
31 1 7 LYS HA 1 7 LYS QD 5.000 . 5.000 3.662 1.956 4.123 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
32 1 7 LYS HA 1 10 GLN HB2 5.000 . 5.000 2.396 1.636 4.565 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
33 1 7 LYS HA 1 10 GLN HB3 5.000 . 5.000 3.234 2.058 4.830 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
34 1 7 LYS HA 1 10 GLN H 5.000 . 5.000 2.883 2.695 3.273 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
35 1 7 LYS QB 1 8 GLU HA 5.000 . 5.000 4.411 4.257 4.515 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
36 1 7 LYS QB 1 8 GLU QG 5.000 . 5.000 4.087 3.996 4.155 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
37 1 7 LYS QB 1 8 GLU H 5.000 . 5.000 3.083 2.730 3.371 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
38 1 7 LYS QD 1 8 GLU H 5.000 . 5.000 4.514 3.625 4.890 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
39 1 7 LYS QG 1 8 GLU HA 5.000 . 5.000 3.928 3.311 4.576 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
40 1 7 LYS QG 1 8 GLU H 5.000 . 5.000 3.926 3.317 4.448 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
41 1 8 GLU HA 1 11 ASN QB 5.000 . 5.000 2.563 1.985 2.723 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
42 1 8 GLU HA 1 11 ASN QD 5.000 . 5.000 4.353 2.152 4.511 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
43 1 8 GLU HA 1 11 ASN H 5.000 . 5.000 3.303 3.066 3.515 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
44 1 8 GLU HA 1 12 ALA H 5.000 . 5.000 3.561 3.332 3.869 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
45 1 8 GLU HB3 1 11 ASN QB 5.000 . 5.000 4.546 4.136 4.664 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
46 1 8 GLU HB3 1 41 SER QB 5.000 . 5.000 3.321 2.301 3.601 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
47 1 8 GLU HB3 1 42 ALA MB 5.000 . 5.000 3.321 2.966 3.993 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
48 1 8 GLU HB3 1 42 ALA H 5.000 . 5.000 3.450 3.199 3.875 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
49 1 8 GLU HB2 1 9 GLN H 5.000 . 5.000 2.677 2.393 2.960 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
50 1 8 GLU H 1 8 GLU QG 5.000 . 5.000 2.551 2.221 2.919 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
51 1 8 GLU QG 1 9 GLN H 5.000 . 5.000 4.225 4.016 4.436 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
52 1 8 GLU QG 1 42 ALA H 5.000 . 5.000 4.627 4.588 4.679 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
53 1 8 GLU H 1 9 GLN HA 5.000 . 5.000 5.294 5.189 5.400 0.400 38 0 "[ . 1 . 2 . 3 . 4]" 2
54 1 9 GLN HA 1 10 GLN H 5.000 . 5.000 3.559 3.509 3.634 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
55 1 9 GLN HA 1 12 ALA MB 5.000 . 5.000 2.450 2.297 2.710 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
56 1 9 GLN HA 1 12 ALA H 5.000 . 5.000 3.648 3.463 3.837 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
57 1 9 GLN HA 1 13 PHE H 0.000 . 5.000 3.614 3.502 3.827 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
58 1 9 GLN HA 1 34 LEU MD1 0.000 . 3.300 1.952 1.828 2.366 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
59 1 9 GLN HB3 1 10 GLN H 5.000 . 5.000 3.560 3.293 3.700 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
60 1 9 GLN HB3 1 34 LEU MD1 5.000 . 5.000 3.400 3.241 3.845 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
61 1 9 GLN HB2 1 10 GLN H 5.000 . 5.000 2.541 2.422 2.667 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
62 1 9 GLN H 1 9 GLN QG 5.000 . 5.000 2.244 2.109 2.430 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
63 1 9 GLN QG 1 34 LEU MD1 5.000 . 5.000 2.706 2.455 3.466 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
64 1 9 GLN QG 1 38 PRO QB 5.000 . 5.000 3.289 2.951 3.439 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
65 1 9 GLN H 1 10 GLN H 3.300 . 3.300 2.582 2.483 2.780 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
66 1 9 GLN H 1 12 ALA MB 5.000 . 5.000 4.339 4.296 4.439 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
67 1 10 GLN HA 1 13 PHE QB 5.000 . 5.000 2.372 1.712 2.686 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
68 1 10 GLN HA 1 13 PHE QD 5.000 . 5.000 3.022 2.502 3.389 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
69 1 10 GLN HA 1 13 PHE H 5.000 . 5.000 3.639 3.008 3.899 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
70 1 10 GLN HB3 1 11 ASN H 5.000 . 5.000 3.029 2.237 4.332 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
71 1 10 GLN H 1 10 GLN QG 5.000 . 5.000 3.226 1.679 3.915 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
72 1 10 GLN H 1 11 ASN QB 5.000 . 5.000 4.378 4.245 4.433 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
73 1 10 GLN H 1 11 ASN H 2.700 . 2.700 2.684 2.469 2.764 0.064 37 0 "[ . 1 . 2 . 3 . 4]" 2
74 1 11 ASN HA 1 12 ALA H 5.000 . 5.000 3.587 3.562 3.599 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
75 1 11 ASN HA 1 14 TYR QB 5.000 . 5.000 2.480 2.256 2.906 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
76 1 11 ASN HA 1 14 TYR QD 5.000 . 5.000 3.884 3.332 4.366 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
77 1 11 ASN HA 1 14 TYR H 5.000 . 5.000 3.674 3.566 4.040 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
78 1 11 ASN QB 1 12 ALA HA 5.000 . 5.000 4.029 3.887 4.084 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
79 1 11 ASN QB 1 12 ALA MB 5.000 . 5.000 3.708 3.582 3.733 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
80 1 11 ASN QB 1 12 ALA H 5.000 . 5.000 2.394 2.294 2.495 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
81 1 11 ASN QB 1 15 GLU QG 5.000 . 5.000 4.033 3.743 4.112 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
82 1 11 ASN QB 1 45 LEU MD2 5.000 . 5.000 3.602 3.170 3.736 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
83 1 11 ASN H 1 12 ALA MB 5.000 . 5.000 4.159 4.088 4.197 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
84 1 12 ALA HA 1 13 PHE H 5.000 . 5.000 3.575 3.563 3.590 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
85 1 12 ALA HA 1 14 TYR H 5.000 . 5.000 4.790 4.674 4.876 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
86 1 12 ALA HA 1 15 GLU QB 5.000 . 5.000 2.532 2.463 2.620 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
87 1 12 ALA HA 1 15 GLU QG 5.000 . 5.000 3.504 3.330 3.689 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
88 1 12 ALA HA 1 15 GLU H 5.000 . 5.000 3.601 3.542 3.664 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
89 1 12 ALA HA 1 16 ILE MD 5.000 . 5.000 3.412 3.302 3.677 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
90 1 12 ALA HA 1 16 ILE H 5.000 . 5.000 3.719 3.675 3.830 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
91 1 12 ALA HA 1 45 LEU QB 5.000 . 5.000 1.754 1.699 1.812 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
92 1 12 ALA HA 1 45 LEU QD 5.000 . 5.000 1.975 1.867 2.137 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
93 1 12 ALA HA 1 45 LEU MD2 3.500 . 3.500 2.022 1.895 2.211 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
94 1 12 ALA H 1 12 ALA MB 3.300 . 3.300 2.097 2.008 2.128 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
95 1 12 ALA MB 1 13 PHE H 5.000 . 5.000 2.468 2.408 2.538 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
96 1 12 ALA MB 1 16 ILE MD 5.000 . 5.000 2.411 2.276 2.588 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
97 1 12 ALA MB 1 16 ILE H 5.000 . 5.000 4.390 4.367 4.427 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
98 1 12 ALA MB 1 34 LEU MD1 5.000 . 5.000 1.906 1.826 2.048 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
99 1 12 ALA MB 1 41 SER HA 5.000 . 5.000 3.199 2.990 3.395 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
100 1 12 ALA MB 1 41 SER QB 5.000 . 5.000 2.434 2.157 2.723 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
101 1 12 ALA MB 1 42 ALA HA 3.500 . 3.500 2.982 2.947 3.044 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
102 1 12 ALA MB 1 45 LEU HA 5.000 . 5.000 3.515 3.396 3.669 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
103 1 12 ALA MB 1 45 LEU QB 5.000 . 5.000 2.065 1.950 2.194 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
104 1 12 ALA H 1 34 LEU MD2 5.000 . 5.000 4.120 3.958 4.205 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
105 1 13 PHE HA 1 13 PHE QE 5.000 . 5.000 4.501 4.479 4.525 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
106 1 13 PHE HA 1 14 TYR H 5.000 . 5.000 3.554 3.524 3.575 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
107 1 13 PHE HA 1 16 ILE HB 5.000 . 5.000 2.593 2.490 2.679 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
108 1 13 PHE HA 1 16 ILE MD 5.000 . 5.000 2.446 2.306 2.646 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
109 1 13 PHE HA 1 16 ILE MG 5.000 . 5.000 3.504 3.389 3.607 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
110 1 13 PHE HA 1 34 LEU MD1 5.000 . 5.000 4.128 3.922 4.182 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
111 1 13 PHE HA 1 34 LEU MD2 5.000 . 5.000 2.124 2.030 2.285 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
112 1 13 PHE QB 1 14 TYR H 5.000 . 5.000 2.162 2.115 2.226 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
113 1 13 PHE QB 1 34 LEU MD1 5.000 . 5.000 3.787 3.751 3.819 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
114 1 13 PHE QB 1 34 LEU MD2 5.000 . 5.000 1.703 1.606 1.803 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
115 1 13 PHE QD 1 16 ILE MD 5.000 . 5.000 3.823 3.796 3.864 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
116 1 13 PHE QD 1 16 ILE MG 5.000 . 5.000 3.600 3.526 3.724 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
117 1 13 PHE QD 1 17 LEU MD2 5.000 . 5.000 3.944 3.893 4.010 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
118 1 13 PHE QD 1 31 ILE HA 5.000 . 5.000 3.434 3.280 3.539 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
119 1 13 PHE QD 1 31 ILE MD 5.000 . 5.000 2.937 2.868 3.019 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
120 1 13 PHE QD 1 31 ILE QG 5.000 . 5.000 1.608 1.570 1.661 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
121 1 13 PHE QD 1 31 ILE MG 5.000 . 5.000 3.017 2.747 3.199 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
122 1 13 PHE QE 1 17 LEU MD2 5.000 . 5.000 2.666 2.556 2.815 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
123 1 13 PHE QE 1 31 ILE MD 5.000 . 5.000 1.996 1.878 2.078 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
124 1 13 PHE QE 1 31 ILE QG 5.000 . 5.000 2.304 2.149 2.431 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
125 1 13 PHE QE 1 31 ILE MG 5.000 . 5.000 2.313 2.146 2.444 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
126 1 14 TYR HA 1 15 GLU H 5.000 . 5.000 3.614 3.598 3.644 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
127 1 14 TYR HA 1 17 LEU MD1 5.000 . 5.000 1.946 1.850 2.030 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
128 1 14 TYR QB 1 15 GLU H 5.000 . 5.000 2.166 2.117 2.219 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
129 1 14 TYR QB 1 17 LEU MD1 5.000 . 5.000 3.706 3.596 3.772 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
130 1 14 TYR QD 1 15 GLU HA 5.000 . 5.000 3.227 2.924 3.503 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
131 1 14 TYR QD 1 15 GLU QG 5.000 . 5.000 2.568 2.246 2.919 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
132 1 14 TYR QD 1 17 LEU MD1 5.000 . 5.000 3.765 3.682 3.872 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
133 1 15 GLU HA 1 16 ILE H 5.000 . 5.000 3.624 3.609 3.641 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
134 1 15 GLU HA 1 18 HIS QB 5.000 . 5.000 2.240 2.026 2.383 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
135 1 15 GLU HA 1 18 HIS HD2 5.000 . 5.000 3.893 3.275 4.250 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
136 1 15 GLU HA 1 18 HIS H 5.000 . 5.000 3.144 3.048 3.274 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
137 1 15 GLU HA 1 45 LEU QD 5.000 . 5.000 3.607 3.540 3.691 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
138 1 15 GLU QB 1 16 ILE H 5.000 . 5.000 2.570 2.512 2.633 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
139 1 15 GLU QB 1 19 LEU MD2 5.000 . 5.000 3.695 3.500 3.770 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
140 1 15 GLU QB 1 45 LEU QD 5.000 . 5.000 1.544 1.516 1.623 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
141 1 15 GLU QB 1 45 LEU MD1 3.500 . 3.500 1.595 1.564 1.672 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
142 1 15 GLU QB 1 45 LEU HG 5.000 . 5.000 3.762 3.650 3.913 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
143 1 15 GLU H 1 15 GLU QG 5.000 . 5.000 2.236 2.138 2.459 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
144 1 15 GLU QG 1 45 LEU QD 5.000 . 5.000 1.902 1.801 2.304 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
145 1 15 GLU QG 1 45 LEU MD2 5.000 . 5.000 1.932 1.822 2.364 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
146 1 15 GLU H 1 16 ILE H 5.000 . 5.000 2.832 2.807 2.860 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
147 1 16 ILE HA 1 17 LEU H 5.000 . 5.000 3.570 3.543 3.600 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
148 1 16 ILE HA 1 19 LEU HB2 5.000 . 5.000 3.217 2.923 3.402 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
149 1 16 ILE HA 1 19 LEU MD1 5.000 . 5.000 1.922 1.786 2.089 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
150 1 16 ILE HA 1 19 LEU HG 3.500 . 3.500 3.316 2.960 3.519 0.019 28 0 "[ . 1 . 2 . 3 . 4]" 2
151 1 16 ILE HA 1 19 LEU H 5.000 . 5.000 3.752 3.620 3.830 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
152 1 16 ILE HA 1 22 LEU MD1 5.000 . 5.000 2.013 1.881 2.199 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
153 1 16 ILE HA 1 45 LEU HA 5.000 . 5.000 4.502 4.348 4.607 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
154 1 16 ILE HA 1 45 LEU QD 5.000 . 5.000 3.557 3.335 3.724 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
155 1 16 ILE HA 1 45 LEU MD1 5.000 . 5.000 3.592 3.363 3.766 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
156 1 16 ILE HB 1 16 ILE MD 3.500 . 3.500 2.063 1.967 2.241 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
157 1 16 ILE HB 1 17 LEU HG 5.000 . 5.000 3.738 3.564 3.854 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
158 1 16 ILE HB 1 17 LEU H 5.000 . 5.000 2.685 2.554 2.731 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
159 1 16 ILE HB 1 31 ILE MD 5.000 . 5.000 4.298 4.203 4.347 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
160 1 16 ILE H 1 16 ILE MD 5.000 . 5.000 3.069 2.971 3.274 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
161 1 16 ILE MD 1 17 LEU H 5.000 . 5.000 4.380 4.342 4.411 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
162 1 16 ILE MD 1 30 PHE HA 5.000 . 5.000 3.754 3.672 3.920 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
163 1 16 ILE MD 1 30 PHE QB 5.000 . 5.000 1.816 1.758 2.001 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
164 1 16 ILE MD 1 30 PHE QD 5.000 . 5.000 3.037 1.877 3.346 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
165 1 16 ILE MD 1 31 ILE HA 5.000 . 5.000 3.931 3.674 4.030 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
166 1 16 ILE MD 1 31 ILE QG 5.000 . 5.000 3.312 3.050 3.367 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
167 1 16 ILE MD 1 31 ILE H 5.000 . 5.000 4.143 3.973 4.186 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
168 1 16 ILE MD 1 34 LEU QB 5.000 . 5.000 3.088 2.999 3.223 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
169 1 16 ILE MD 1 34 LEU MD1 0.000 . 5.000 2.960 2.688 3.060 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
170 1 16 ILE MD 1 44 LEU HA 5.000 . 5.000 4.160 4.100 4.194 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
171 1 16 ILE MD 1 44 LEU HB3 5.000 . 5.000 2.445 2.293 2.564 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
172 1 16 ILE MD 1 44 LEU MD2 5.000 . 5.000 3.520 3.411 3.556 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
173 1 16 ILE MD 1 45 LEU HA 5.000 . 5.000 2.757 2.584 3.146 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
174 1 16 ILE MD 1 48 ALA H 5.000 . 5.000 4.417 4.370 4.480 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
175 1 16 ILE H 1 16 ILE QG 5.000 . 5.000 2.824 2.599 2.982 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
176 1 16 ILE QG 1 19 LEU MD1 5.000 . 5.000 2.864 2.714 2.978 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
177 1 16 ILE QG 1 45 LEU HA 5.000 . 5.000 2.677 2.538 2.772 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
178 1 16 ILE QG 1 48 ALA MB 5.000 . 5.000 1.943 1.902 1.995 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
179 1 16 ILE MG 1 17 LEU MD1 5.000 . 5.000 3.497 3.474 3.530 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
180 1 16 ILE MG 1 17 LEU HG 5.000 . 5.000 2.453 2.290 2.568 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
181 1 16 ILE MG 1 17 LEU H 5.000 . 5.000 2.717 2.536 2.810 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
182 1 16 ILE MG 1 27 ARG HA 5.000 . 5.000 1.752 1.643 1.896 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
183 1 16 ILE MG 1 27 ARG QB 5.000 . 5.000 2.977 2.757 3.416 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
184 1 16 ILE MG 1 27 ARG QD 5.000 . 5.000 3.314 2.155 3.538 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
185 1 16 ILE MG 1 27 ARG QG 5.000 . 5.000 1.822 1.713 2.044 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
186 1 16 ILE MG 1 30 PHE QB 5.000 . 5.000 2.008 1.853 2.269 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
187 1 16 ILE MG 1 30 PHE QD 5.000 . 5.000 2.630 2.328 3.231 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
188 1 16 ILE MG 1 30 PHE H 5.000 . 5.000 3.854 3.640 4.168 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
189 1 16 ILE MG 1 31 ILE HA 5.000 . 5.000 4.162 4.074 4.196 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
190 1 16 ILE MG 1 31 ILE HB 5.000 . 5.000 4.316 4.272 4.383 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
191 1 16 ILE MG 1 31 ILE MD 5.000 . 5.000 2.589 2.465 2.753 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
192 1 16 ILE MG 1 31 ILE QG 5.000 . 5.000 2.228 2.145 2.324 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
193 1 16 ILE MG 1 31 ILE H 5.000 . 5.000 3.169 3.060 3.329 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
194 1 16 ILE MG 1 48 ALA MB 5.000 . 5.000 3.439 3.299 3.496 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
195 1 16 ILE H 1 17 LEU H 5.000 . 5.000 2.802 2.756 2.890 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
196 1 16 ILE H 1 45 LEU QD 5.000 . 5.000 2.975 2.822 3.185 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
197 1 16 ILE H 1 45 LEU MD1 5.000 . 5.000 3.034 2.873 3.259 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
198 1 17 LEU HA 1 18 HIS H 5.000 . 5.000 3.590 3.567 3.606 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
199 1 17 LEU HA 1 27 ARG QD 5.000 . 5.000 2.202 1.588 3.529 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
200 1 17 LEU HA 1 27 ARG QG 5.000 . 5.000 2.361 1.719 3.095 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
201 1 17 LEU HA 1 31 ILE MD 5.000 . 5.000 4.129 3.958 4.223 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
202 1 17 LEU QB 1 18 HIS H 5.000 . 5.000 2.528 2.404 2.627 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
203 1 17 LEU MD1 1 31 ILE MG 6.000 . 6.000 4.219 4.133 4.291 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
204 1 17 LEU H 1 17 LEU MD2 5.000 . 5.000 3.858 3.765 3.918 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
205 1 17 LEU MD2 1 27 ARG QB 6.000 . 6.000 4.509 4.329 4.618 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
206 1 17 LEU MD2 1 27 ARG QD 5.000 . 5.000 2.196 1.780 3.755 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
207 1 17 LEU MD2 1 27 ARG HE 5.000 . 5.000 3.656 2.533 4.404 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
208 1 17 LEU MD2 1 27 ARG QG 5.000 . 5.000 3.056 2.892 3.445 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
209 1 17 LEU MD2 1 31 ILE MD 5.000 . 5.000 2.115 1.929 2.220 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
210 1 17 LEU MD2 1 31 ILE QG 5.000 . 5.000 3.698 3.581 3.758 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
211 1 17 LEU H 1 17 LEU HG 5.000 . 5.000 2.348 2.213 2.461 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
212 1 17 LEU HG 1 31 ILE MD 5.000 . 5.000 2.465 2.290 2.675 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
213 1 17 LEU H 1 18 HIS H 3.300 . 3.300 2.691 2.647 2.784 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
214 1 17 LEU H 1 19 LEU H 5.000 . 5.000 4.144 4.067 4.222 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
215 1 18 HIS HA 1 18 HIS HD2 5.000 . 5.000 4.081 3.973 4.249 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
216 1 18 HIS HA 1 19 LEU H 5.000 . 5.000 3.455 3.316 3.570 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
217 1 18 HIS QB 1 19 LEU H 5.000 . 5.000 3.281 2.922 3.579 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
218 1 18 HIS H 1 19 LEU H 2.700 . 2.700 2.696 2.622 2.738 0.038 29 0 "[ . 1 . 2 . 3 . 4]" 2
219 1 19 LEU HA 1 20 PRO QD 5.000 . 5.000 1.963 1.907 2.089 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
220 1 19 LEU HA 1 21 ASN H 5.000 . 5.000 3.963 3.799 4.291 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
221 1 19 LEU HB3 1 20 PRO QD 5.000 . 5.000 3.184 2.604 3.350 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
222 1 19 LEU HB3 1 52 ASN HA 5.000 . 5.000 3.958 3.727 4.188 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
223 1 19 LEU HB3 1 52 ASN QB 5.000 . 5.000 2.739 2.145 3.166 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
224 1 19 LEU HB2 1 22 LEU QB 5.000 . 5.000 2.309 2.081 2.945 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
225 1 19 LEU HB2 1 22 LEU MD1 5.000 . 5.000 2.551 1.844 2.905 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
226 1 19 LEU HB2 1 22 LEU HG 5.000 . 5.000 2.367 2.243 2.573 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
227 1 19 LEU HB2 1 48 ALA MB 5.000 . 5.000 4.095 3.930 4.180 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
228 1 19 LEU H 1 19 LEU MD1 5.000 . 5.000 3.610 3.392 3.788 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
229 1 19 LEU MD1 1 22 LEU MD1 5.000 . 5.000 1.912 1.738 2.164 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
230 1 19 LEU MD1 1 22 LEU MD2 5.000 . 5.000 2.852 2.556 2.998 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
231 1 19 LEU MD1 1 22 LEU HG 5.000 . 5.000 1.894 1.738 2.317 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
232 1 19 LEU MD1 1 30 PHE QE 5.000 . 5.000 3.881 3.807 4.054 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
233 1 19 LEU MD1 1 45 LEU MD1 5.000 . 5.000 2.544 2.381 2.696 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
234 1 19 LEU MD1 1 48 ALA HA 5.000 . 5.000 3.217 3.024 3.352 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
235 1 19 LEU MD1 1 48 ALA MB 5.000 . 5.000 1.866 1.647 1.961 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
236 1 19 LEU MD1 1 49 LYS HB2 5.000 . 5.000 4.049 3.687 4.307 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
237 1 19 LEU MD1 1 49 LYS QG 5.000 . 5.000 2.629 2.110 3.045 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
238 1 19 LEU MD1 1 49 LYS H 5.000 . 5.000 2.983 2.880 3.038 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
239 1 19 LEU MD1 1 52 ASN HA 5.000 . 5.000 4.221 4.170 4.295 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
240 1 19 LEU MD1 1 52 ASN QB 5.000 . 5.000 2.476 2.215 2.836 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
241 1 19 LEU MD1 1 52 ASN H 5.000 . 5.000 3.405 3.167 3.532 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
242 1 19 LEU MD2 1 20 PRO QD 5.000 . 5.000 2.098 1.735 2.736 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
243 1 19 LEU MD2 1 21 ASN H 5.000 . 5.000 3.754 3.296 4.031 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
244 1 19 LEU MD2 1 49 LYS HA 5.000 . 5.000 2.102 1.924 2.283 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
245 1 19 LEU MD2 1 49 LYS HB3 5.000 . 5.000 4.045 3.836 4.190 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
246 1 19 LEU MD2 1 49 LYS QD 0.000 . 5.000 2.606 1.798 3.820 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
247 1 19 LEU MD2 1 49 LYS QE 5.000 . 5.000 3.430 2.761 3.875 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
248 1 19 LEU MD2 1 49 LYS QG 0.000 . 5.000 2.745 1.791 3.732 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
249 1 19 LEU MD2 1 52 ASN QB 5.000 . 5.000 1.895 1.797 2.083 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
250 1 19 LEU MD2 1 52 ASN QD 5.000 . 5.000 2.944 2.278 3.681 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
251 1 19 LEU MD2 1 52 ASN H 5.000 . 5.000 3.747 3.657 3.910 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
252 1 19 LEU H 1 19 LEU HG 5.000 . 5.000 2.707 2.320 3.015 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
253 1 19 LEU HG 1 22 LEU MD1 5.000 . 5.000 3.747 3.282 4.049 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
254 1 19 LEU HG 1 48 ALA MB 5.000 . 5.000 3.934 3.606 4.093 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
255 1 19 LEU HG 1 49 LYS HA 5.000 . 5.000 4.489 4.354 4.669 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
256 1 19 LEU H 1 22 LEU MD1 5.000 . 5.000 3.972 3.356 4.199 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
257 1 20 PRO HA 1 21 ASN H 5.000 . 5.000 3.555 3.521 3.603 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
258 1 20 PRO HA 1 22 LEU H 5.000 . 5.000 4.238 4.055 4.586 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
259 1 20 PRO QB 1 21 ASN H 5.000 . 5.000 3.520 3.397 3.643 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
260 1 20 PRO QD 1 21 ASN H 5.000 . 5.000 3.012 2.810 3.126 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
261 1 20 PRO QD 1 52 ASN QD 5.000 . 5.000 2.641 2.113 3.902 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
262 1 20 PRO QG 1 21 ASN QD 5.000 . 5.000 2.846 2.117 4.019 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
263 1 20 PRO QG 1 21 ASN H 5.000 . 5.000 2.885 2.709 3.155 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
264 1 20 PRO QG 1 52 ASN QD 5.000 . 5.000 2.224 1.859 3.750 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
265 1 21 ASN HA 1 22 LEU H 5.000 . 5.000 3.284 3.167 3.467 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
266 1 21 ASN QB 1 22 LEU MD2 5.000 . 5.000 3.685 3.460 3.815 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
267 1 21 ASN QB 1 22 LEU H 5.000 . 5.000 3.562 3.245 3.693 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
268 1 21 ASN QB 1 52 ASN HA 5.000 . 5.000 1.685 1.556 1.859 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
269 1 21 ASN QB 1 55 GLN HB2 5.000 . 5.000 2.636 2.313 3.715 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
270 1 21 ASN QB 1 56 ALA HA 5.000 . 5.000 3.019 2.881 3.376 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
271 1 21 ASN QB 1 56 ALA MB 5.000 . 5.000 3.361 2.861 3.723 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
272 1 21 ASN QB 1 57 PRO QD 5.000 . 5.000 4.033 3.976 4.086 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
273 1 21 ASN H 1 21 ASN QD 5.000 . 5.000 3.367 2.671 4.271 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
274 1 21 ASN QD 1 52 ASN HA 5.000 . 5.000 3.649 3.145 4.676 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
275 1 21 ASN QD 1 56 ALA HA 5.000 . 5.000 2.830 2.050 3.811 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
276 1 21 ASN QD 1 56 ALA MB 5.000 . 5.000 2.403 2.135 3.281 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
277 1 21 ASN QD 1 57 PRO QD 5.000 . 5.000 2.631 1.909 3.581 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
278 1 21 ASN H 1 22 LEU MD2 5.000 . 5.000 4.362 4.274 4.428 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
279 1 21 ASN H 1 22 LEU H 3.300 . 3.300 2.356 2.260 2.493 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
280 1 21 ASN H 1 52 ASN HA 5.000 . 5.000 3.296 2.970 3.535 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
281 1 22 LEU HA 1 23 ASN H 5.000 . 5.000 2.235 2.133 3.526 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
282 1 22 LEU HA 1 52 ASN HA 5.000 . 5.000 4.566 4.230 4.969 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
283 1 22 LEU HA 1 55 GLN QE 5.000 . 5.000 2.528 2.214 4.387 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
284 1 22 LEU QB 1 23 ASN H 5.000 . 5.000 3.106 2.413 3.424 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
285 1 22 LEU QB 1 26 GLN HB2 5.000 . 5.000 3.445 2.226 4.054 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
286 1 22 LEU QB 1 27 ARG QB 5.000 . 5.000 2.248 2.059 2.448 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
287 1 22 LEU MD1 1 23 ASN H 5.000 . 5.000 4.270 4.216 4.495 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
288 1 22 LEU MD1 1 27 ARG HA 5.000 . 5.000 2.360 2.154 2.572 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
289 1 22 LEU MD1 1 27 ARG QB 5.000 . 5.000 2.953 2.734 3.325 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
290 1 22 LEU MD1 1 27 ARG QG 5.000 . 5.000 3.489 2.699 3.753 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
291 1 22 LEU MD1 1 30 PHE QD 5.000 . 5.000 2.300 2.015 3.189 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
292 1 22 LEU MD1 1 48 ALA HA 5.000 . 5.000 2.401 2.319 2.698 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
293 1 22 LEU MD1 1 48 ALA MB 5.000 . 5.000 1.657 1.623 1.689 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
294 1 22 LEU MD1 1 48 ALA H 5.000 . 5.000 4.375 4.347 4.411 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
295 1 22 LEU MD1 1 51 LEU QB 0.000 . 5.000 3.347 3.202 3.598 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
296 1 22 LEU H 1 22 LEU MD2 5.000 . 5.000 3.395 3.057 3.494 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
297 1 22 LEU MD2 1 26 GLN HA 5.000 . 5.000 4.289 4.210 4.403 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
298 1 22 LEU MD2 1 26 GLN HB3 5.000 . 5.000 2.033 1.799 2.199 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
299 1 22 LEU MD2 1 26 GLN HB2 5.000 . 5.000 2.422 2.116 2.879 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
300 1 22 LEU MD2 1 26 GLN QG 5.000 . 5.000 2.885 2.599 3.605 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
301 1 22 LEU MD2 1 27 ARG HA 5.000 . 5.000 4.284 4.201 4.337 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
302 1 22 LEU MD2 1 30 PHE QE 5.000 . 5.000 2.740 2.047 3.879 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
303 1 22 LEU MD2 1 30 PHE HZ 5.000 . 5.000 4.181 3.816 4.244 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
304 1 22 LEU MD2 1 48 ALA HA 5.000 . 5.000 2.566 2.140 2.853 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
305 1 22 LEU MD2 1 48 ALA MB 5.000 . 5.000 3.198 2.791 3.361 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
306 1 22 LEU MD2 1 51 LEU HA 5.000 . 5.000 4.116 3.985 4.198 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
307 1 22 LEU MD2 1 51 LEU QB 5.000 . 5.000 1.810 1.714 1.895 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
308 1 22 LEU MD2 1 51 LEU MD2 5.000 . 5.000 2.539 2.149 2.716 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
309 1 22 LEU MD2 1 51 LEU H 5.000 . 5.000 3.808 3.533 4.061 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
310 1 22 LEU MD2 1 52 ASN HA 5.000 . 5.000 3.173 2.942 3.534 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
311 1 22 LEU MD2 1 52 ASN QB 0.000 . 5.000 3.471 3.130 3.751 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
312 1 22 LEU MD2 1 52 ASN H 5.000 . 5.000 3.195 2.916 3.480 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
313 1 22 LEU MD2 1 55 GLN QE 5.000 . 5.000 2.048 1.900 3.195 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
314 1 22 LEU H 1 22 LEU HG 5.000 . 5.000 3.169 2.220 3.456 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
315 1 22 LEU HG 1 52 ASN QB 5.000 . 5.000 3.226 2.807 3.718 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
316 1 22 LEU H 1 23 ASN H 5.000 . 5.000 4.508 2.604 4.626 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
317 1 23 ASN HA 1 24 GLU H 5.000 . 5.000 2.656 2.582 2.808 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
318 1 23 ASN H 1 23 ASN HB3 3.300 . 3.300 3.092 2.827 3.363 0.063 18 0 "[ . 1 . 2 . 3 . 4]" 2
319 1 23 ASN HB3 1 24 GLU H 0.000 . 3.300 3.504 3.376 3.596 0.296 30 0 "[ . 1 . 2 . 3 . 4]" 2
320 1 23 ASN HB2 1 24 GLU H 5.000 . 5.000 2.075 1.999 2.225 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
321 1 23 ASN HB2 1 25 GLU H 5.000 . 5.000 3.126 2.718 3.703 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
322 1 23 ASN H 1 23 ASN QD 5.000 . 5.000 3.048 2.549 4.135 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
323 1 23 ASN QD 1 26 GLN QG 5.000 . 5.000 2.685 1.986 3.982 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
324 1 24 GLU HA 1 25 GLU H 5.000 . 5.000 3.585 3.543 3.614 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
325 1 24 GLU HA 1 27 ARG QB 5.000 . 5.000 2.862 2.619 3.261 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
326 1 24 GLU HA 1 27 ARG HE 5.000 . 5.000 3.535 2.594 5.068 0.068 18 0 "[ . 1 . 2 . 3 . 4]" 2
327 1 24 GLU HA 1 27 ARG QG 5.000 . 5.000 4.570 4.380 4.694 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
328 1 24 GLU HA 1 27 ARG H 5.000 . 5.000 4.039 3.798 4.337 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
329 1 24 GLU HA 1 28 ASN QB 5.000 . 5.000 3.678 3.124 4.124 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
330 1 24 GLU HA 1 28 ASN H 5.000 . 5.000 3.177 2.902 3.638 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
331 1 24 GLU H 1 24 GLU QB 0.000 . 3.300 2.237 2.072 2.530 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
332 1 24 GLU QB 1 25 GLU H 5.000 . 5.000 2.808 2.477 3.589 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
333 1 24 GLU H 1 24 GLU QG 5.000 . 5.000 3.280 1.983 4.028 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
334 1 24 GLU QG 1 28 ASN QD 5.000 . 5.000 3.226 1.866 4.016 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
335 1 24 GLU H 1 25 GLU QB 5.000 . 5.000 4.472 4.385 4.508 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
336 1 24 GLU H 1 25 GLU H 2.700 . 2.700 2.777 2.727 2.815 0.115 15 0 "[ . 1 . 2 . 3 . 4]" 2
337 1 24 GLU H 1 27 ARG QB 5.000 . 5.000 4.487 4.360 4.577 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
338 1 25 GLU HA 1 26 GLN H 5.000 . 5.000 3.600 3.581 3.619 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
339 1 25 GLU HA 1 28 ASN QB 5.000 . 5.000 3.562 3.071 3.844 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
340 1 25 GLU HA 1 28 ASN QD 5.000 . 5.000 4.329 3.211 4.685 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
341 1 25 GLU HA 1 28 ASN H 5.000 . 5.000 4.414 4.106 4.633 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
342 1 25 GLU QB 1 26 GLN HA 5.000 . 5.000 4.240 4.182 4.367 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
343 1 25 GLU QB 1 26 GLN H 5.000 . 5.000 2.357 2.108 2.495 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
344 1 25 GLU H 1 25 GLU QG 5.000 . 5.000 3.969 3.942 4.036 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
345 1 25 GLU QG 1 26 GLN HA 5.000 . 5.000 3.740 3.465 4.263 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
346 1 25 GLU QG 1 26 GLN H 5.000 . 5.000 3.534 3.140 3.883 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
347 1 25 GLU QG 1 29 ALA MB 5.000 . 5.000 3.576 3.352 3.751 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
348 1 25 GLU H 1 26 GLN H 2.700 . 2.700 2.749 2.682 2.906 0.206 15 0 "[ . 1 . 2 . 3 . 4]" 2
349 1 26 GLN HA 1 26 GLN QE 5.000 . 5.000 3.385 2.190 4.510 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
350 1 26 GLN HA 1 29 ALA MB 5.000 . 5.000 2.906 2.590 3.112 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
351 1 26 GLN HA 1 29 ALA H 5.000 . 5.000 4.002 3.699 4.179 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
352 1 26 GLN HA 1 30 PHE QD 5.000 . 5.000 4.277 3.186 4.569 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
353 1 26 GLN HA 1 51 LEU QD 5.000 . 5.000 3.496 3.255 3.725 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
354 1 26 GLN HA 1 51 LEU MD2 5.000 . 5.000 3.521 3.274 3.755 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
355 1 26 GLN HB3 1 27 ARG H 5.000 . 5.000 3.256 2.757 3.628 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
356 1 26 GLN HB3 1 30 PHE QD 5.000 . 5.000 3.906 3.490 4.502 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
357 1 26 GLN HB3 1 51 LEU QD 5.000 . 5.000 2.415 1.961 3.127 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
358 1 26 GLN HB2 1 51 LEU MD2 5.000 . 5.000 3.817 3.452 4.193 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
359 1 26 GLN QE 1 51 LEU MD2 5.000 . 5.000 3.328 2.020 3.772 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
360 1 26 GLN QE 1 51 LEU HG 5.000 . 5.000 3.799 2.045 4.509 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
361 1 26 GLN H 1 26 GLN QG 5.000 . 5.000 2.539 1.963 3.709 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
362 1 26 GLN QG 1 51 LEU QD 5.000 . 5.000 2.614 1.711 3.329 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
363 1 26 GLN QG 1 51 LEU MD2 5.000 . 5.000 2.641 1.714 3.381 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
364 1 27 ARG HA 1 28 ASN H 5.000 . 5.000 3.640 3.619 3.668 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
365 1 27 ARG HA 1 30 PHE QB 5.000 . 5.000 2.647 2.415 3.011 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
366 1 27 ARG HA 1 30 PHE QD 5.000 . 5.000 2.759 2.308 4.161 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
367 1 27 ARG HA 1 30 PHE H 5.000 . 5.000 3.771 3.664 4.016 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
368 1 27 ARG HA 1 31 ILE MD 5.000 . 5.000 4.033 3.874 4.203 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
369 1 27 ARG HA 1 48 ALA MB 5.000 . 5.000 4.356 4.298 4.528 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
370 1 27 ARG QB 1 28 ASN H 5.000 . 5.000 2.379 2.186 2.525 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
371 1 27 ARG QB 1 31 ILE MD 5.000 . 5.000 3.801 3.702 3.884 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
372 1 27 ARG H 1 27 ARG QG 5.000 . 5.000 3.927 3.795 3.966 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
373 1 27 ARG QG 1 28 ASN H 5.000 . 5.000 3.424 3.022 4.147 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
374 1 27 ARG QG 1 31 ILE MD 5.000 . 5.000 2.247 1.882 3.515 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
375 1 28 ASN HA 1 29 ALA H 5.000 . 5.000 3.593 3.581 3.609 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
376 1 28 ASN HA 1 31 ILE HB 5.000 . 5.000 2.551 2.290 3.015 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
377 1 28 ASN HA 1 31 ILE MD 5.000 . 5.000 2.092 1.952 2.270 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
378 1 28 ASN HA 1 31 ILE MG 5.000 . 5.000 3.843 3.643 4.217 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
379 1 28 ASN HA 1 31 ILE H 5.000 . 5.000 3.315 3.158 3.586 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
380 1 28 ASN HA 1 32 GLN H 5.000 . 5.000 4.390 4.120 4.830 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
381 1 28 ASN QB 1 29 ALA MB 5.000 . 5.000 3.780 3.608 3.943 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
382 1 28 ASN QB 1 29 ALA H 5.000 . 5.000 2.462 2.266 2.598 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
383 1 28 ASN H 1 28 ASN QD 5.000 . 5.000 4.024 1.935 4.552 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
384 1 28 ASN H 1 29 ALA MB 5.000 . 5.000 4.261 4.218 4.296 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
385 1 28 ASN H 1 29 ALA H 3.300 . 3.300 2.723 2.664 2.790 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
386 1 29 ALA HA 1 30 PHE H 5.000 . 5.000 3.547 3.527 3.558 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
387 1 29 ALA HA 1 31 ILE H 5.000 . 5.000 4.513 4.334 4.604 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
388 1 29 ALA HA 1 32 GLN QB 0.000 . 3.300 2.498 2.345 2.764 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
389 1 29 ALA HA 1 32 GLN QG 5.000 . 5.000 3.114 2.271 3.444 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
390 1 29 ALA HA 1 32 GLN H 5.000 . 5.000 3.285 3.167 3.350 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
391 1 29 ALA HA 1 33 SER H 5.000 . 5.000 4.148 3.969 4.359 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
392 1 29 ALA MB 1 30 PHE HA 5.000 . 5.000 3.833 3.720 3.961 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
393 1 29 ALA MB 1 30 PHE QD 5.000 . 5.000 3.628 2.541 3.922 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
394 1 29 ALA MB 1 30 PHE H 5.000 . 5.000 2.436 2.356 2.617 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
395 1 29 ALA MB 1 32 GLN QB 5.000 . 5.000 3.733 3.635 3.761 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
396 1 29 ALA MB 1 32 GLN H 5.000 . 5.000 4.346 4.297 4.370 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
397 1 29 ALA H 1 30 PHE H 2.700 . 2.700 2.662 2.620 2.703 0.003 15 0 "[ . 1 . 2 . 3 . 4]" 2
398 1 30 PHE HA 1 31 ILE H 5.000 . 5.000 3.534 3.519 3.555 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
399 1 30 PHE HA 1 33 SER HB3 5.000 . 5.000 4.084 3.950 4.188 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
400 1 30 PHE HA 1 33 SER HB2 5.000 . 5.000 4.297 4.187 4.430 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
401 1 30 PHE HA 1 33 SER H 5.000 . 5.000 3.370 3.280 3.439 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
402 1 30 PHE HA 1 34 LEU H 5.000 . 5.000 3.817 3.698 3.986 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
403 1 30 PHE HA 1 44 LEU MD2 5.000 . 5.000 2.882 2.737 3.059 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
404 1 30 PHE QB 1 31 ILE MD 5.000 . 5.000 3.923 3.874 3.958 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
405 1 30 PHE QB 1 31 ILE H 5.000 . 5.000 2.455 2.405 2.529 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
406 1 30 PHE QB 1 44 LEU MD2 5.000 . 5.000 3.714 3.594 3.799 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
407 1 30 PHE QB 1 48 ALA MB 5.000 . 5.000 3.588 3.449 3.775 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
408 1 30 PHE QD 1 44 LEU HA 5.000 . 5.000 4.093 3.851 4.451 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
409 1 30 PHE QD 1 44 LEU HB3 5.000 . 5.000 3.679 3.419 3.902 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
410 1 30 PHE QD 1 44 LEU MD2 5.000 . 5.000 2.434 2.056 3.541 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
411 1 30 PHE QD 1 48 ALA MB 5.000 . 5.000 2.518 2.061 2.706 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
412 1 30 PHE QE 1 44 LEU HA 5.000 . 5.000 3.822 3.602 4.045 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
413 1 30 PHE QE 1 47 GLU QB 5.000 . 5.000 3.459 3.296 3.693 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
414 1 30 PHE QE 1 47 GLU QG 5.000 . 5.000 2.140 1.895 2.447 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
415 1 30 PHE QE 1 48 ALA HA 5.000 . 5.000 1.774 1.633 2.245 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
416 1 30 PHE QE 1 51 LEU QB 5.000 . 5.000 3.101 2.831 3.902 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
417 1 30 PHE QE 1 51 LEU MD2 5.000 . 5.000 2.056 1.773 2.431 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
418 1 30 PHE QE 1 51 LEU HG 5.000 . 5.000 4.533 4.445 4.759 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
419 1 30 PHE HZ 1 44 LEU MD2 5.000 . 5.000 4.426 4.326 4.508 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
420 1 30 PHE HZ 1 47 GLU QB 5.000 . 5.000 3.065 2.873 3.216 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
421 1 30 PHE HZ 1 47 GLU QG 5.000 . 5.000 2.374 2.241 2.432 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
422 1 30 PHE HZ 1 48 ALA HA 5.000 . 5.000 2.809 2.550 3.206 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
423 1 30 PHE HZ 1 48 ALA MB 5.000 . 5.000 3.608 3.402 3.943 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
424 1 30 PHE HZ 1 51 LEU QB 5.000 . 5.000 3.508 3.235 3.762 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
425 1 30 PHE HZ 1 51 LEU MD2 5.000 . 5.000 1.705 1.653 1.858 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
426 1 30 PHE HZ 1 51 LEU HG 5.000 . 5.000 4.442 4.320 4.515 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
427 1 31 ILE HA 1 32 GLN H 5.000 . 5.000 3.581 3.562 3.598 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
428 1 31 ILE HA 1 34 LEU QB 5.000 . 5.000 2.103 1.974 2.225 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
429 1 31 ILE HA 1 34 LEU MD2 5.000 . 5.000 2.556 2.464 2.671 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
430 1 31 ILE HA 1 34 LEU H 5.000 . 5.000 3.399 3.299 3.511 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
431 1 31 ILE HB 1 32 GLN H 5.000 . 5.000 2.986 2.906 3.072 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
432 1 31 ILE H 1 31 ILE MD 5.000 . 5.000 3.082 2.939 3.154 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
433 1 31 ILE H 1 31 ILE QG 5.000 . 5.000 2.122 2.007 2.224 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
434 1 31 ILE MG 1 32 GLN HA 5.000 . 5.000 3.886 3.785 3.959 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
435 1 31 ILE MG 1 32 GLN QG 5.000 . 5.000 3.730 3.621 3.783 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
436 1 31 ILE MG 1 32 GLN H 5.000 . 5.000 3.699 3.605 3.749 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
437 1 31 ILE MG 1 35 LYS QE 5.000 . 5.000 3.670 2.831 4.029 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
438 1 32 GLN HA 1 32 GLN QE 5.000 . 5.000 4.297 3.251 4.594 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
439 1 32 GLN HA 1 33 SER H 5.000 . 5.000 3.604 3.592 3.617 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
440 1 32 GLN HA 1 35 LYS HB2 5.000 . 5.000 3.122 2.853 3.561 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
441 1 32 GLN HA 1 35 LYS H 5.000 . 5.000 3.762 3.623 3.956 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
442 1 32 GLN QB 1 33 SER H 5.000 . 5.000 2.422 2.319 2.498 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
443 1 32 GLN H 1 32 GLN QG 5.000 . 5.000 2.350 2.126 2.560 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
444 1 32 GLN QG 1 33 SER H 5.000 . 5.000 4.089 3.894 4.181 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
445 1 33 SER HA 1 34 LEU H 5.000 . 5.000 3.503 3.491 3.515 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
446 1 33 SER HA 1 36 ASP QB 5.000 . 5.000 3.123 2.625 3.492 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
447 1 33 SER HA 1 44 LEU MD1 5.000 . 5.000 3.916 3.811 4.110 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
448 1 33 SER HA 1 44 LEU MD2 5.000 . 5.000 4.450 4.402 4.507 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
449 1 33 SER H 1 33 SER QB 3.300 . 3.300 2.615 2.568 2.697 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
450 1 33 SER HB3 1 34 LEU H 5.000 . 5.000 4.114 4.047 4.186 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
451 1 33 SER HB3 1 44 LEU MD1 5.000 . 5.000 3.868 3.700 4.183 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
452 1 33 SER HB3 1 44 LEU MD2 5.000 . 5.000 3.276 3.173 3.464 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
453 1 33 SER HB2 1 44 LEU MD2 5.000 . 5.000 2.329 2.186 2.479 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
454 1 33 SER HB2 1 44 LEU HG 5.000 . 5.000 4.224 4.078 4.512 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
455 1 33 SER H 1 44 LEU MD2 5.000 . 5.000 4.214 4.179 4.253 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
456 1 34 LEU HA 1 35 LYS H 5.000 . 5.000 3.620 3.600 3.630 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
457 1 34 LEU HA 1 36 ASP H 5.000 . 5.000 4.431 4.218 4.660 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
458 1 34 LEU HA 1 37 ASP H 5.000 . 5.000 3.586 3.331 3.783 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
459 1 34 LEU HA 1 38 PRO HA 5.000 . 5.000 4.633 4.339 4.867 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
460 1 34 LEU HA 1 44 LEU MD1 5.000 . 5.000 2.010 1.865 2.186 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
461 1 34 LEU QB 1 35 LYS H 5.000 . 5.000 2.405 2.336 2.486 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
462 1 34 LEU MD1 1 38 PRO HA 5.000 . 5.000 4.129 3.953 4.209 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
463 1 34 LEU MD1 1 41 SER QB 5.000 . 5.000 1.817 1.752 1.928 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
464 1 34 LEU H 1 34 LEU MD2 5.000 . 5.000 4.076 4.039 4.123 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
465 1 34 LEU MD2 1 41 SER HA 5.000 . 5.000 4.108 4.025 4.179 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
466 1 34 LEU MD2 1 41 SER QB 5.000 . 5.000 3.703 3.572 3.761 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
467 1 34 LEU H 1 34 LEU HG 5.000 . 5.000 4.375 4.346 4.398 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
468 1 34 LEU H 1 35 LYS H 5.000 . 5.000 2.606 2.564 2.651 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
469 1 34 LEU H 1 44 LEU MD1 5.000 . 5.000 2.684 2.572 2.804 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
470 1 34 LEU H 1 44 LEU MD2 5.000 . 5.000 3.922 3.707 4.049 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
471 1 35 LYS HA 1 35 LYS QD 5.000 . 5.000 3.250 1.832 3.913 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
472 1 35 LYS HA 1 36 ASP H 5.000 . 5.000 3.559 3.537 3.582 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
473 1 35 LYS H 1 35 LYS QB 0.000 . 3.300 2.116 2.036 2.282 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
474 1 35 LYS QB 1 36 ASP H 3.300 . 3.300 2.866 2.734 2.960 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
475 1 35 LYS HB2 1 36 ASP H 5.000 . 5.000 3.051 2.842 3.193 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
476 1 35 LYS H 1 35 LYS QG 5.000 . 5.000 2.942 2.472 3.209 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
477 1 35 LYS H 1 36 ASP H 2.700 . 2.700 2.665 2.566 2.714 0.014 21 0 "[ . 1 . 2 . 3 . 4]" 2
478 1 36 ASP HA 1 37 ASP H 5.000 . 5.000 3.598 3.551 3.627 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
479 1 36 ASP QB 1 37 ASP H 5.000 . 5.000 2.724 2.349 2.998 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
480 1 36 ASP H 1 37 ASP H 3.300 . 3.300 2.481 2.340 2.636 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
481 1 37 ASP HA 1 38 PRO QD 5.000 . 5.000 1.921 1.909 1.940 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
482 1 37 ASP HA 1 38 PRO QG 5.000 . 5.000 3.825 3.812 3.841 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
483 1 37 ASP HB3 1 38 PRO QD 5.000 . 5.000 4.263 4.182 4.307 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
484 1 37 ASP HB3 1 40 GLN QB 5.000 . 5.000 2.598 2.139 3.845 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
485 1 37 ASP HB3 1 40 GLN QG 5.000 . 5.000 4.201 1.922 4.524 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
486 1 37 ASP HB3 1 44 LEU MD1 5.000 . 5.000 3.149 2.789 3.700 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
487 1 37 ASP H 1 37 ASP HB2 2.700 . 2.700 2.680 2.614 2.742 0.042 11 0 "[ . 1 . 2 . 3 . 4]" 2
488 1 37 ASP HB2 1 38 PRO QD 5.000 . 5.000 4.228 4.082 4.295 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
489 1 37 ASP H 1 38 PRO QD 5.000 . 5.000 3.931 3.796 4.106 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
490 1 38 PRO HA 1 39 SER H 5.000 . 5.000 3.598 3.581 3.614 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
491 1 38 PRO HA 1 40 GLN H 5.000 . 5.000 4.467 4.351 4.543 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
492 1 38 PRO QB 1 38 PRO QD 0.000 . 3.300 2.726 2.714 2.754 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
493 1 38 PRO QD 1 39 SER H 5.000 . 5.000 2.752 2.694 2.799 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
494 1 38 PRO QG 1 39 SER H 5.000 . 5.000 2.228 2.129 2.386 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
495 1 39 SER HA 1 40 GLN H 5.000 . 5.000 3.577 3.550 3.599 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
496 1 39 SER HA 1 41 SER H 5.000 . 5.000 3.807 3.692 3.908 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
497 1 39 SER HA 1 42 ALA H 5.000 . 5.000 5.085 5.011 5.173 0.173 11 0 "[ . 1 . 2 . 3 . 4]" 2
498 1 39 SER H 1 40 GLN H 5.000 . 5.000 2.768 2.608 2.875 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
499 1 40 GLN HA 1 40 GLN QG 3.500 . 3.500 2.377 1.986 3.301 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
500 1 40 GLN QB 1 41 SER H 5.000 . 5.000 3.426 3.182 4.002 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
501 1 40 GLN QB 1 43 ASN QB 5.000 . 5.000 3.680 2.652 3.974 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
502 1 40 GLN QB 1 44 LEU MD1 5.000 . 5.000 2.342 1.959 3.590 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
503 1 40 GLN QB 1 44 LEU MD2 5.000 . 5.000 3.759 3.542 3.820 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
504 1 40 GLN QB 1 44 LEU HG 5.000 . 5.000 2.865 2.514 3.021 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
505 1 40 GLN QB 1 44 LEU H 5.000 . 5.000 4.233 3.909 4.441 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
506 1 40 GLN H 1 40 GLN QG 5.000 . 5.000 3.744 1.993 4.064 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
507 1 40 GLN QG 1 43 ASN QB 5.000 . 5.000 2.452 1.963 4.020 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
508 1 40 GLN QG 1 44 LEU MD1 5.000 . 5.000 3.331 1.755 3.770 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
509 1 40 GLN H 1 41 SER H 2.700 . 2.700 2.692 2.610 2.744 0.044 8 0 "[ . 1 . 2 . 3 . 4]" 2
510 1 40 GLN H 1 44 LEU MD1 5.000 . 5.000 4.229 4.198 4.310 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
511 1 41 SER HA 1 42 ALA H 5.000 . 5.000 3.652 3.634 3.670 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
512 1 41 SER HA 1 44 LEU HB3 5.000 . 5.000 3.603 3.504 3.688 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
513 1 41 SER HA 1 44 LEU HB2 5.000 . 5.000 2.162 2.081 2.228 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
514 1 41 SER HA 1 44 LEU MD1 5.000 . 5.000 1.999 1.881 2.169 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
515 1 41 SER HA 1 44 LEU MD2 5.000 . 5.000 4.444 4.397 4.486 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
516 1 41 SER HA 1 44 LEU HG 5.000 . 5.000 3.496 3.354 3.639 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
517 1 41 SER HA 1 44 LEU H 5.000 . 5.000 3.325 3.250 3.382 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
518 1 41 SER QB 1 42 ALA H 5.000 . 5.000 3.235 2.313 3.363 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
519 1 41 SER H 1 42 ALA H 5.000 . 5.000 3.093 2.961 3.307 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
520 1 41 SER H 1 44 LEU MD1 5.000 . 5.000 3.624 3.406 3.811 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
521 1 42 ALA HA 1 43 ASN H 0.000 . 5.000 3.588 3.580 3.596 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
522 1 42 ALA HA 1 44 LEU H 5.000 . 5.000 4.268 4.188 4.322 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
523 1 42 ALA HA 1 45 LEU QB 5.000 . 5.000 2.757 2.635 2.812 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
524 1 42 ALA HA 1 45 LEU QD 5.000 . 5.000 3.694 3.570 3.732 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
525 1 42 ALA HA 1 45 LEU H 5.000 . 5.000 3.326 3.283 3.365 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
526 1 42 ALA HA 1 46 ALA H 5.000 . 5.000 3.967 3.896 4.030 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
527 1 42 ALA MB 1 43 ASN QB 5.000 . 5.000 3.809 3.785 3.847 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
528 1 42 ALA MB 1 43 ASN H 5.000 . 5.000 2.223 2.174 2.274 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
529 1 42 ALA MB 1 44 LEU H 5.000 . 5.000 4.226 4.209 4.245 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
530 1 42 ALA MB 1 45 LEU H 5.000 . 5.000 4.438 4.420 4.454 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
531 1 42 ALA MB 1 46 ALA H 5.000 . 5.000 4.340 4.321 4.363 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
532 1 42 ALA H 1 43 ASN QB 5.000 . 5.000 4.272 4.179 4.346 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
533 1 42 ALA H 1 43 ASN H 3.300 . 3.300 2.751 2.670 2.813 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
534 1 43 ASN HA 1 43 ASN QD 2.700 . 2.700 2.431 2.417 2.446 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
535 1 43 ASN HA 1 44 LEU H 5.000 . 5.000 3.554 3.546 3.558 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
536 1 43 ASN HA 1 46 ALA MB 5.000 . 5.000 2.064 2.034 2.093 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
537 1 43 ASN HA 1 46 ALA H 5.000 . 5.000 3.391 3.342 3.456 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
538 1 43 ASN HA 1 47 GLU H 5.000 . 5.000 3.774 3.743 3.821 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
539 1 43 ASN QB 1 44 LEU HA 5.000 . 5.000 3.788 3.745 3.840 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
540 1 43 ASN QB 1 44 LEU MD2 5.000 . 5.000 3.888 3.846 3.929 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
541 1 43 ASN QB 1 44 LEU HG 5.000 . 5.000 3.330 3.256 3.418 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
542 1 43 ASN QB 1 44 LEU H 5.000 . 5.000 2.598 2.539 2.655 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
543 1 43 ASN QB 1 46 ALA MB 5.000 . 5.000 3.832 3.808 3.864 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
544 1 43 ASN QB 1 47 GLU QG 5.000 . 5.000 4.079 4.061 4.111 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
545 1 43 ASN H 1 43 ASN QD 5.000 . 5.000 3.431 2.561 4.351 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
546 1 43 ASN H 1 44 LEU H 3.300 . 3.300 2.661 2.634 2.685 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
547 1 43 ASN H 1 46 ALA MB 5.000 . 5.000 4.250 4.216 4.282 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
548 1 44 LEU HA 1 45 LEU H 5.000 . 5.000 3.566 3.553 3.581 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
549 1 44 LEU HA 1 46 ALA H 5.000 . 5.000 4.574 4.503 4.681 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
550 1 44 LEU HA 1 47 GLU QB 5.000 . 5.000 3.726 3.637 3.775 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
551 1 44 LEU HA 1 47 GLU QG 5.000 . 5.000 1.816 1.739 1.865 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
552 1 44 LEU HA 1 47 GLU H 5.000 . 5.000 3.404 3.363 3.441 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
553 1 44 LEU HA 1 48 ALA MB 5.000 . 5.000 4.191 4.166 4.222 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
554 1 44 LEU HA 1 48 ALA H 5.000 . 5.000 3.774 3.718 3.828 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
555 1 44 LEU HB3 1 44 LEU MD2 3.500 . 3.500 2.200 2.161 2.254 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
556 1 44 LEU HB2 1 45 LEU H 5.000 . 5.000 2.629 2.591 2.660 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
557 1 44 LEU H 1 44 LEU MD1 5.000 . 5.000 3.464 3.400 3.541 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
558 1 44 LEU MD1 1 45 LEU H 5.000 . 5.000 4.455 4.439 4.492 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
559 1 44 LEU H 1 44 LEU MD2 5.000 . 5.000 3.597 3.540 3.647 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
560 1 44 LEU MD2 1 47 GLU QB 5.000 . 5.000 3.995 3.958 4.023 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
561 1 44 LEU MD2 1 47 GLU QG 5.000 . 5.000 2.700 2.642 2.746 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
562 1 44 LEU MD2 1 48 ALA MB 6.000 . 6.000 4.198 4.156 4.254 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
563 1 44 LEU MD2 1 48 ALA H 5.000 . 5.000 4.484 4.460 4.527 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
564 1 44 LEU H 1 44 LEU HG 5.000 . 5.000 2.405 2.359 2.459 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
565 1 44 LEU H 1 45 LEU H 5.000 . 5.000 2.664 2.637 2.685 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
566 1 44 LEU H 1 46 ALA H 5.000 . 5.000 4.024 3.932 4.116 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
567 1 44 LEU H 1 47 GLU QG 5.000 . 5.000 3.949 3.902 3.979 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
568 1 45 LEU HA 1 46 ALA H 5.000 . 5.000 3.606 3.586 3.624 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
569 1 45 LEU HA 1 48 ALA MB 5.000 . 5.000 2.224 2.125 2.304 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
570 1 45 LEU HA 1 48 ALA H 5.000 . 5.000 3.232 3.184 3.283 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
571 1 45 LEU QB 1 46 ALA H 5.000 . 5.000 2.520 2.456 2.564 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
572 1 45 LEU QB 1 48 ALA MB 5.000 . 5.000 3.904 3.866 3.953 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
573 1 45 LEU MD1 1 45 LEU MD2 2.700 . 2.700 2.106 2.096 2.120 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
574 1 45 LEU H 1 45 LEU QD 5.000 . 5.000 3.724 3.706 3.748 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
575 1 45 LEU QD 1 46 ALA H 5.000 . 5.000 3.677 3.609 3.727 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
576 1 45 LEU QD 1 48 ALA H 5.000 . 5.000 3.858 3.825 3.883 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
577 1 45 LEU QD 1 49 LYS HA 5.000 . 5.000 3.842 3.779 3.905 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
578 1 45 LEU QD 1 49 LYS HB2 5.000 . 5.000 3.468 3.066 3.775 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
579 1 45 LEU QD 1 49 LYS QD 5.000 . 5.000 1.982 1.654 2.597 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
580 1 45 LEU QD 1 49 LYS QE 5.000 . 5.000 2.746 1.617 3.365 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
581 1 45 LEU QD 1 49 LYS QG 5.000 . 5.000 2.043 1.683 2.527 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
582 1 45 LEU QD 1 49 LYS H 5.000 . 5.000 2.951 2.918 2.996 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
583 1 45 LEU MD1 1 48 ALA MB 5.000 . 5.000 2.293 2.230 2.385 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
584 1 45 LEU MD1 1 48 ALA H 5.000 . 5.000 3.902 3.867 3.928 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
585 1 45 LEU MD1 1 49 LYS HA 5.000 . 5.000 3.883 3.818 3.947 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
586 1 45 LEU MD1 1 49 LYS QD 5.000 . 5.000 2.003 1.674 2.621 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
587 1 45 LEU MD1 1 49 LYS QE 5.000 . 5.000 2.938 1.711 3.626 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
588 1 45 LEU MD1 1 49 LYS H 5.000 . 5.000 2.963 2.930 3.010 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
589 1 45 LEU H 1 45 LEU MD2 5.000 . 5.000 4.233 4.186 4.250 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
590 1 45 LEU MD2 1 46 ALA H 5.000 . 5.000 4.257 4.189 4.319 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
591 1 45 LEU H 1 45 LEU HG 5.000 . 5.000 4.284 4.262 4.304 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
592 1 45 LEU HG 1 46 ALA H 5.000 . 5.000 3.293 3.167 3.402 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
593 1 45 LEU HG 1 49 LYS QE 5.000 . 5.000 3.381 2.180 4.387 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
594 1 45 LEU HG 1 49 LYS H 5.000 . 5.000 4.292 4.257 4.370 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
595 1 45 LEU H 1 46 ALA MB 5.000 . 5.000 4.059 4.029 4.085 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
596 1 46 ALA HA 1 47 GLU H 5.000 . 5.000 3.625 3.617 3.635 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
597 1 46 ALA HA 1 49 LYS HB3 0.000 . 3.300 3.587 3.538 3.666 0.366 26 0 "[ . 1 . 2 . 3 . 4]" 2
598 1 46 ALA HA 1 49 LYS HB2 3.500 . 3.500 2.308 2.163 2.489 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
599 1 46 ALA HA 1 49 LYS QD 5.000 . 5.000 3.756 2.572 4.665 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
600 1 46 ALA HA 1 49 LYS QE 5.000 . 5.000 4.098 3.348 4.618 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
601 1 46 ALA HA 1 49 LYS QG 5.000 . 5.000 3.528 2.651 4.501 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
602 1 46 ALA HA 1 49 LYS H 5.000 . 5.000 3.380 3.297 3.463 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
603 1 46 ALA MB 1 47 GLU QB 5.000 . 5.000 3.800 3.765 3.829 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
604 1 46 ALA MB 1 47 GLU QG 5.000 . 5.000 3.770 3.755 3.800 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
605 1 46 ALA MB 1 47 GLU H 5.000 . 5.000 2.395 2.354 2.441 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
606 1 46 ALA MB 1 49 LYS HB2 5.000 . 5.000 3.918 3.745 4.127 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
607 1 46 ALA MB 1 49 LYS H 5.000 . 5.000 4.420 4.369 4.472 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
608 1 46 ALA MB 1 50 LYS QB 5.000 . 5.000 3.840 3.807 3.862 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
609 1 46 ALA MB 1 50 LYS QE 5.000 . 5.000 3.748 3.737 3.768 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
610 1 46 ALA H 1 47 GLU H 3.300 . 3.300 2.907 2.851 2.982 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
611 1 46 ALA H 1 48 ALA H 0.000 . 5.000 4.083 4.003 4.159 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
612 1 47 GLU HA 1 48 ALA HA 5.000 . 5.000 4.836 4.824 4.868 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
613 1 47 GLU HA 1 48 ALA MB 0.000 . 6.000 4.929 4.918 4.956 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
614 1 47 GLU HA 1 48 ALA H 5.000 . 5.000 3.602 3.595 3.607 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
615 1 47 GLU HA 1 50 LYS QB 3.500 . 3.500 1.718 1.680 1.769 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
616 1 47 GLU HA 1 50 LYS QD 5.000 . 5.000 1.965 1.918 2.025 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
617 1 47 GLU HA 1 50 LYS QE 5.000 . 5.000 2.126 2.052 2.294 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
618 1 47 GLU HA 1 50 LYS QG 5.000 . 5.000 3.498 3.471 3.521 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
619 1 47 GLU HA 1 50 LYS H 5.000 . 5.000 3.097 3.050 3.147 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
620 1 47 GLU HA 1 51 LEU H 5.000 . 5.000 3.834 3.776 3.924 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
621 1 47 GLU QB 1 48 ALA HA 5.000 . 5.000 4.561 4.547 4.580 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
622 1 47 GLU QB 1 48 ALA MB 6.000 . 6.000 4.582 4.562 4.607 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
623 1 47 GLU QB 1 48 ALA H 5.000 . 5.000 3.556 3.538 3.575 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
624 1 47 GLU QB 1 50 LYS QD 5.000 . 5.000 2.472 2.440 2.500 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
625 1 47 GLU QB 1 51 LEU QD 5.000 . 5.000 3.092 2.955 3.201 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
626 1 47 GLU QB 1 51 LEU MD1 5.000 . 5.000 3.482 3.203 3.721 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
627 1 47 GLU H 1 47 GLU QG 5.000 . 5.000 1.916 1.877 1.980 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
628 1 47 GLU QG 1 48 ALA HA 5.000 . 5.000 3.692 3.504 3.799 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
629 1 47 GLU QG 1 48 ALA MB 5.000 . 5.000 3.160 3.049 3.199 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
630 1 47 GLU QG 1 48 ALA H 0.000 . 5.000 2.299 2.223 2.340 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
631 1 47 GLU QG 1 50 LYS QD 5.000 . 5.000 4.140 4.126 4.150 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
632 1 47 GLU QG 1 51 LEU QD 5.000 . 5.000 3.361 3.190 3.435 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
633 1 47 GLU H 1 48 ALA MB 5.000 . 5.000 4.116 4.061 4.143 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
634 1 47 GLU H 1 48 ALA H 3.300 . 3.300 2.590 2.571 2.616 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
635 1 48 ALA HA 1 49 LYS HA 5.000 . 5.000 4.913 4.825 4.984 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
636 1 48 ALA HA 1 51 LEU QB 5.000 . 5.000 2.231 2.091 2.312 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
637 1 48 ALA HA 1 51 LEU QD 5.000 . 5.000 2.178 2.087 2.354 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
638 1 48 ALA HA 1 51 LEU MD2 5.000 . 5.000 2.189 2.093 2.383 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
639 1 48 ALA HA 1 51 LEU HG 5.000 . 5.000 4.729 4.634 4.778 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
640 1 48 ALA HA 1 51 LEU H 5.000 . 5.000 3.247 3.158 3.341 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
641 1 48 ALA HA 1 52 ASN H 5.000 . 5.000 4.097 3.925 4.200 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
642 1 48 ALA MB 1 49 LYS HA 5.000 . 5.000 3.916 3.836 3.956 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
643 1 48 ALA MB 1 49 LYS QD 5.000 . 5.000 3.820 3.751 3.902 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
644 1 48 ALA MB 1 49 LYS QG 5.000 . 5.000 3.337 3.037 3.750 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
645 1 48 ALA MB 1 49 LYS H 5.000 . 5.000 2.462 2.421 2.549 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
646 1 48 ALA MB 1 50 LYS H 5.000 . 5.000 4.301 4.263 4.334 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
647 1 48 ALA MB 1 51 LEU QB 5.000 . 5.000 3.727 3.625 3.777 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
648 1 48 ALA MB 1 51 LEU MD2 5.000 . 5.000 3.560 3.520 3.606 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
649 1 48 ALA MB 1 51 LEU H 5.000 . 5.000 4.375 4.336 4.411 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
650 1 49 LYS HA 1 49 LYS QD 5.000 . 5.000 2.873 1.806 3.940 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
651 1 49 LYS HA 1 50 LYS H 5.000 . 5.000 3.501 3.495 3.511 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
652 1 49 LYS HA 1 51 LEU H 5.000 . 5.000 4.265 4.105 4.417 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
653 1 49 LYS HA 1 52 ASN QB 5.000 . 5.000 2.349 1.963 2.746 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
654 1 49 LYS HA 1 52 ASN QD 5.000 . 5.000 4.236 2.560 4.561 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
655 1 49 LYS HA 1 52 ASN H 5.000 . 5.000 3.238 2.956 3.447 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
656 1 49 LYS HA 1 53 ASP H 5.000 . 5.000 4.356 4.047 4.685 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
657 1 49 LYS HB3 1 49 LYS QD 3.500 . 3.500 2.789 2.372 3.054 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
658 1 49 LYS HB3 1 49 LYS QE 5.000 . 5.000 2.923 1.911 4.314 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
659 1 49 LYS HB3 1 50 LYS H 5.000 . 5.000 3.326 3.060 3.441 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
660 1 49 LYS HB2 1 49 LYS QE 5.000 . 5.000 3.432 2.800 4.220 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
661 1 49 LYS H 1 49 LYS QD 5.000 . 5.000 3.344 3.050 3.503 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
662 1 49 LYS H 1 49 LYS QE 5.000 . 5.000 4.566 4.517 4.626 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
663 1 49 LYS H 1 49 LYS QG 5.000 . 5.000 2.633 2.166 3.128 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
664 1 49 LYS QG 1 50 LYS H 5.000 . 5.000 4.109 3.872 4.347 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
665 1 49 LYS H 1 50 LYS HA 5.000 . 5.000 5.142 5.094 5.170 0.170 19 0 "[ . 1 . 2 . 3 . 4]" 2
666 1 49 LYS H 1 50 LYS H 3.300 . 3.300 2.388 2.325 2.421 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
667 1 50 LYS HA 1 50 LYS QD 0.000 . 5.000 4.357 4.333 4.378 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
668 1 50 LYS HA 1 50 LYS QE 5.000 . 5.000 4.359 4.229 4.397 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
669 1 50 LYS HA 1 51 LEU H 5.000 . 5.000 3.569 3.558 3.581 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
670 1 50 LYS HA 1 53 ASP QB 5.000 . 5.000 3.371 3.183 3.584 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
671 1 50 LYS HA 1 53 ASP H 5.000 . 5.000 3.764 3.630 3.910 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
672 1 50 LYS HA 1 54 ALA H 5.000 . 5.000 4.115 3.808 4.276 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
673 1 50 LYS H 1 50 LYS QB 2.700 . 2.700 1.958 1.939 1.982 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
674 1 50 LYS QB 1 51 LEU HA 5.000 . 5.000 4.562 4.541 4.584 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
675 1 50 LYS QB 1 51 LEU QD 5.000 . 5.000 3.074 2.989 3.196 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
676 1 50 LYS QB 1 51 LEU MD1 5.000 . 5.000 3.140 3.042 3.317 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
677 1 50 LYS QB 1 51 LEU H 5.000 . 5.000 2.615 2.575 2.667 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
678 1 50 LYS H 1 50 LYS QD 5.000 . 5.000 3.986 3.954 4.027 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
679 1 50 LYS QD 1 51 LEU QD 5.000 . 5.000 2.388 2.276 2.519 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
680 1 50 LYS QD 1 51 LEU H 5.000 . 5.000 3.595 3.532 3.692 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
681 1 50 LYS H 1 50 LYS QG 5.000 . 5.000 3.839 3.824 3.860 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
682 1 50 LYS H 1 51 LEU H 3.300 . 3.300 2.586 2.504 2.645 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
683 1 50 LYS H 1 52 ASN H 5.000 . 5.000 3.937 3.795 4.139 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
684 1 51 LEU HA 1 52 ASN H 5.000 . 5.000 3.542 3.521 3.569 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
685 1 51 LEU HA 1 53 ASP H 5.000 . 5.000 4.394 4.251 4.521 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
686 1 51 LEU HA 1 54 ALA MB 5.000 . 5.000 2.351 2.229 2.597 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
687 1 51 LEU QB 1 52 ASN H 5.000 . 5.000 2.647 2.590 2.710 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
688 1 51 LEU MD1 1 51 LEU MD2 2.700 . 2.700 1.931 1.886 1.953 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
689 1 51 LEU QD 1 54 ALA MB 5.000 . 5.000 3.001 2.864 3.115 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
690 1 51 LEU QD 1 55 GLN QG 5.000 . 5.000 3.362 3.334 3.410 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
691 1 51 LEU H 1 51 LEU MD1 5.000 . 5.000 2.433 2.337 2.581 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
692 1 51 LEU MD1 1 52 ASN H 5.000 . 5.000 4.219 4.173 4.242 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
693 1 51 LEU MD1 1 55 GLN QG 5.000 . 5.000 3.469 3.393 3.533 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
694 1 51 LEU H 1 51 LEU MD2 5.000 . 5.000 3.330 3.001 3.690 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
695 1 51 LEU MD2 1 55 GLN QE 5.000 . 5.000 3.421 2.630 3.722 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
696 1 51 LEU H 1 51 LEU HG 0.000 . 5.000 4.291 4.241 4.342 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
697 1 51 LEU HG 1 52 ASN H 5.000 . 5.000 5.091 5.039 5.141 0.141 39 0 "[ . 1 . 2 . 3 . 4]" 2
698 1 51 LEU HG 1 55 GLN QE 5.000 . 5.000 3.004 1.954 3.404 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
699 1 51 LEU H 1 52 ASN QB 5.000 . 5.000 4.112 3.904 4.215 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
700 1 51 LEU H 1 52 ASN H 3.300 . 3.300 2.505 2.446 2.556 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
701 1 52 ASN HA 1 53 ASP H 5.000 . 5.000 3.582 3.568 3.593 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
702 1 52 ASN HA 1 54 ALA H 5.000 . 5.000 4.848 4.749 5.008 0.008 38 0 "[ . 1 . 2 . 3 . 4]" 2
703 1 52 ASN HA 1 55 GLN HB2 5.000 . 5.000 3.512 3.196 4.232 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
704 1 52 ASN HA 1 55 GLN QE 5.000 . 5.000 3.392 2.960 4.458 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
705 1 52 ASN HA 1 55 GLN H 0.000 . 5.000 4.210 3.974 4.490 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
706 1 52 ASN QB 1 53 ASP H 5.000 . 5.000 2.609 2.403 3.318 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
707 1 52 ASN H 1 52 ASN QD 5.000 . 5.000 4.513 3.688 4.579 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
708 1 52 ASN QD 1 53 ASP HA 5.000 . 5.000 3.802 3.120 4.501 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
709 1 52 ASN H 1 53 ASP H 2.700 . 2.700 2.791 2.757 2.814 0.114 1 0 "[ . 1 . 2 . 3 . 4]" 2
710 1 53 ASP HA 1 54 ALA H 0.000 . 5.000 3.588 3.578 3.603 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
711 1 53 ASP HA 1 56 ALA MB 5.000 . 5.000 2.103 1.942 2.225 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
712 1 53 ASP HA 1 56 ALA H 5.000 . 5.000 3.472 3.296 3.563 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
713 1 53 ASP QB 1 54 ALA MB 5.000 . 5.000 3.736 3.726 3.754 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
714 1 53 ASP QB 1 54 ALA H 5.000 . 5.000 2.534 2.434 2.587 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
715 1 53 ASP QB 1 56 ALA MB 5.000 . 5.000 3.786 3.750 3.861 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
716 1 53 ASP H 1 54 ALA H 2.700 . 2.700 2.504 2.410 2.553 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
717 1 54 ALA HA 1 55 GLN H 5.000 . 5.000 3.585 3.574 3.599 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
718 1 54 ALA HA 1 56 ALA H 5.000 . 5.000 4.058 3.837 4.310 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
719 1 54 ALA MB 1 55 GLN HA 5.000 . 5.000 3.959 3.912 4.006 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
720 1 54 ALA MB 1 55 GLN QG 5.000 . 5.000 2.762 2.577 2.924 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
721 1 54 ALA MB 1 55 GLN H 5.000 . 5.000 2.342 2.221 2.437 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
722 1 54 ALA MB 1 56 ALA H 5.000 . 5.000 4.183 4.166 4.200 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
723 1 54 ALA H 1 55 GLN H 3.300 . 3.300 2.715 2.650 2.825 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
724 1 54 ALA H 1 56 ALA MB 5.000 . 5.000 4.188 4.103 4.217 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
725 1 54 ALA H 1 56 ALA H 5.000 . 5.000 3.789 3.743 3.884 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
726 1 55 GLN HA 1 55 GLN QE 5.000 . 5.000 4.582 4.550 4.600 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
727 1 55 GLN HA 1 56 ALA H 5.000 . 5.000 3.429 3.265 3.544 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
728 1 55 GLN HB3 1 56 ALA H 5.000 . 5.000 4.170 3.844 4.415 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
729 1 55 GLN H 1 55 GLN QG 5.000 . 5.000 2.236 2.158 2.400 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
730 1 55 GLN H 1 56 ALA MB 5.000 . 5.000 4.047 3.942 4.160 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
731 1 55 GLN H 1 56 ALA H 3.300 . 3.300 2.579 2.475 2.627 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
732 1 56 ALA HA 1 57 PRO QB 5.000 . 5.000 4.549 4.521 4.577 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
733 1 56 ALA HA 1 57 PRO QD 5.000 . 5.000 2.052 2.007 2.109 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
734 1 56 ALA HA 1 57 PRO QG 0.000 . 5.000 3.964 3.916 4.026 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
735 1 56 ALA MB 1 57 PRO HA 5.000 . 5.000 4.329 4.264 4.366 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
736 1 56 ALA MB 1 57 PRO QD 5.000 . 5.000 2.293 2.146 2.396 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
737 1 56 ALA MB 1 57 PRO QG 5.000 . 5.000 3.727 3.508 3.760 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
738 1 56 ALA H 1 57 PRO QD 5.000 . 5.000 4.384 4.348 4.423 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
739 1 57 PRO HA 1 58 LYS HA 5.000 . 5.000 4.580 4.453 4.766 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
740 1 57 PRO HA 1 58 LYS H 5.000 . 5.000 2.814 2.211 3.578 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
741 1 57 PRO QB 1 58 LYS H 5.000 . 5.000 3.293 2.968 4.030 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
742 1 57 PRO QG 1 58 LYS H 5.000 . 5.000 3.759 2.368 4.601 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
743 1 58 LYS HA 1 58 LYS QD 5.000 . 5.000 3.646 2.027 4.422 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
744 1 58 LYS QB 1 58 LYS QD 2.700 . 2.700 2.136 1.997 2.225 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
745 1 58 LYS H 1 58 LYS QG 5.000 . 5.000 3.523 2.189 4.171 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
stop_
save_
save_distance_constraint_statistics_3
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 3
_Distance_constraint_stats_list.Constraint_count 238
_Distance_constraint_stats_list.Viol_count 503
_Distance_constraint_stats_list.Viol_total 3107.307
_Distance_constraint_stats_list.Viol_max 0.498
_Distance_constraint_stats_list.Viol_rms 0.0426
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0082
_Distance_constraint_stats_list.Viol_average_violations_only 0.1544
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 7 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 9 GLN 0.046 0.035 11 0 "[ . 1 . 2 . 3 . 4]"
1 10 GLN 20.698 0.466 15 0 "[ . 1 . 2 . 3 . 4]"
1 11 ASN 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 13 PHE 0.590 0.070 37 0 "[ . 1 . 2 . 3 . 4]"
1 14 TYR 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 17 LEU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 18 HIS 26.221 0.315 26 0 "[ . 1 . 2 . 3 . 4]"
1 27 ARG 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 28 ASN 15.715 0.498 39 0 "[ . 1 . 2 . 3 . 4]"
1 31 ILE 6.813 0.197 5 0 "[ . 1 . 2 . 3 . 4]"
1 34 LEU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 35 LYS 7.599 0.271 27 0 "[ . 1 . 2 . 3 . 4]"
2 9 LEU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
2 10 SER 18.759 0.498 39 0 "[ . 1 . 2 . 3 . 4]"
2 13 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
2 14 ARG 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
2 17 VAL 9.066 0.315 26 0 "[ . 1 . 2 . 3 . 4]"
2 27 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
2 28 LYS 16.690 0.298 16 0 "[ . 1 . 2 . 3 . 4]"
2 31 ILE 0.465 0.076 35 0 "[ . 1 . 2 . 3 . 4]"
2 32 PHE 20.698 0.466 15 0 "[ . 1 . 2 . 3 . 4]"
2 34 LEU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
2 35 TRP 12.004 0.271 27 0 "[ . 1 . 2 . 3 . 4]"
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 7 LYS QB 2 32 PHE QD 5.000 . 5.000 4.285 4.183 4.363 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
2 1 7 LYS QB 2 32 PHE QE 5.000 . 5.000 3.925 3.523 4.165 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
3 1 7 LYS QD 2 32 PHE QD 5.000 . 5.000 3.832 2.026 4.131 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
4 1 7 LYS QD 2 32 PHE QE 5.000 . 5.000 2.652 1.645 3.467 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
5 1 7 LYS QE 2 32 PHE QE 5.000 . 5.000 2.969 1.893 3.978 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
6 1 7 LYS QG 2 32 PHE QD 5.000 . 5.000 3.005 2.420 4.098 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
7 1 7 LYS QG 2 32 PHE QE 5.000 . 5.000 1.891 1.686 2.723 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
8 1 9 GLN HA 2 35 TRP HZ2 5.000 . 5.000 4.101 3.738 4.415 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
9 1 9 GLN HB3 2 35 TRP HE1 5.000 . 5.000 1.890 1.727 1.984 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
10 1 9 GLN HB3 2 35 TRP HH2 5.000 . 5.000 4.513 4.239 5.035 0.035 11 0 "[ . 1 . 2 . 3 . 4]" 3
11 1 9 GLN HB3 2 35 TRP HZ2 5.000 . 5.000 2.333 1.982 2.915 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
12 1 9 GLN HB2 2 35 TRP HZ2 5.000 . 5.000 3.990 3.646 4.617 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
13 1 9 GLN QE 2 35 TRP HE1 5.000 . 5.000 3.381 2.389 3.983 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
14 1 9 GLN QG 2 35 TRP HZ2 5.000 . 5.000 3.400 3.141 4.112 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
15 1 10 GLN HA 2 32 PHE QD 5.000 . 5.000 4.548 4.461 4.787 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
16 1 10 GLN HA 2 32 PHE QE 5.000 . 5.000 4.600 4.541 4.676 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
17 1 10 GLN HA 2 32 PHE HZ 5.000 . 5.000 5.162 5.090 5.278 0.278 27 0 "[ . 1 . 2 . 3 . 4]" 3
18 1 10 GLN HA 2 35 TRP HD1 5.000 . 5.000 3.418 2.930 4.247 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
19 1 10 GLN HB2 2 32 PHE HA 5.000 . 5.000 4.102 2.392 4.842 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
20 1 10 GLN HB2 2 32 PHE QD 5.000 . 5.000 3.486 2.621 4.484 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
21 1 10 GLN HB2 2 32 PHE QE 5.000 . 5.000 3.545 2.891 4.386 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
22 1 10 GLN HB2 2 32 PHE HZ 5.000 . 5.000 4.680 3.448 5.228 0.228 37 0 "[ . 1 . 2 . 3 . 4]" 3
23 1 10 GLN HB3 2 32 PHE QE 5.000 . 5.000 2.858 2.182 4.423 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
24 1 10 GLN HB3 2 32 PHE HZ 5.000 . 5.000 3.941 3.353 5.387 0.387 35 0 "[ . 1 . 2 . 3 . 4]" 3
25 1 10 GLN QG 2 32 PHE HA 5.000 . 5.000 2.314 1.735 3.687 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
26 1 10 GLN QG 2 32 PHE HB2 5.000 . 5.000 3.903 3.517 4.682 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
27 1 10 GLN QG 2 32 PHE QD 5.000 . 5.000 1.999 1.780 2.259 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
28 1 10 GLN QG 2 32 PHE QE 5.000 . 5.000 3.205 2.516 3.406 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
29 1 10 GLN QG 2 32 PHE HZ 5.000 . 5.000 4.416 3.115 4.563 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
30 1 10 GLN QG 2 35 TRP QB 5.000 . 5.000 2.848 2.058 4.134 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
31 1 10 GLN HG3 2 32 PHE QD 5.000 . 5.000 3.024 1.786 3.726 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
32 1 10 GLN HG3 2 32 PHE QE 5.000 . 5.000 3.946 2.646 4.504 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
33 1 10 GLN HG3 2 32 PHE HZ 5.000 . 5.000 5.100 3.178 5.466 0.466 15 0 "[ . 1 . 2 . 3 . 4]" 3
34 1 10 GLN HG2 2 32 PHE QD 5.000 . 5.000 2.415 1.901 3.697 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
35 1 10 GLN HG2 2 32 PHE QE 5.000 . 5.000 3.493 2.834 3.783 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
36 1 10 GLN HG2 2 32 PHE HZ 5.000 . 5.000 4.889 4.278 5.056 0.056 25 0 "[ . 1 . 2 . 3 . 4]" 3
37 1 11 ASN HA 2 32 PHE QD 5.000 . 5.000 4.669 4.601 4.791 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
38 1 11 ASN HA 2 32 PHE QE 5.000 . 5.000 2.851 2.702 3.026 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
39 1 11 ASN QB 2 32 PHE QE 5.000 . 5.000 3.211 2.978 4.025 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
40 1 13 PHE QB 2 35 TRP HA 5.000 . 5.000 4.699 4.620 4.774 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
41 1 13 PHE QB 2 35 TRP QB 5.000 . 5.000 3.229 3.137 3.363 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
42 1 13 PHE QB 2 35 TRP HE1 5.000 . 5.000 4.514 4.301 4.630 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
43 1 13 PHE QB 2 35 TRP HE3 5.000 . 5.000 3.052 2.967 3.155 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
44 1 13 PHE QB 2 35 TRP HZ3 5.000 . 5.000 3.391 3.295 3.534 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
45 1 13 PHE QD 2 9 LEU HB2 5.000 . 5.000 4.245 4.050 4.406 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
46 1 13 PHE QD 2 9 LEU QD 5.000 . 5.000 3.304 3.217 3.518 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
47 1 13 PHE QD 2 31 ILE HA 5.000 . 5.000 4.497 4.430 4.586 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
48 1 13 PHE QD 2 31 ILE MD 5.000 . 5.000 3.822 3.782 3.869 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
49 1 13 PHE QD 2 31 ILE MG 5.000 . 5.000 2.074 1.959 2.300 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
50 1 13 PHE QD 2 35 TRP HA 5.000 . 5.000 4.047 3.928 4.163 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
51 1 13 PHE QD 2 35 TRP QB 5.000 . 5.000 1.957 1.875 2.068 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
52 1 13 PHE QD 2 35 TRP HE3 5.000 . 5.000 2.984 2.939 3.028 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
53 1 13 PHE QD 2 35 TRP HZ3 5.000 . 5.000 2.811 2.661 2.907 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
54 1 13 PHE QE 2 9 LEU HA 5.000 . 5.000 3.878 3.771 3.987 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
55 1 13 PHE QE 2 9 LEU HB2 5.000 . 5.000 2.347 2.216 2.493 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
56 1 13 PHE QE 2 9 LEU QD 5.000 . 5.000 2.562 2.454 2.980 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
57 1 13 PHE QE 2 9 LEU HG 5.000 . 5.000 4.415 3.040 4.500 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
58 1 13 PHE QE 2 10 SER HA 5.000 . 5.000 4.407 4.057 4.609 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
59 1 13 PHE QE 2 13 GLY QA 5.000 . 5.000 3.343 3.216 3.495 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
60 1 13 PHE QE 2 31 ILE HA 5.000 . 5.000 2.809 2.733 2.902 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
61 1 13 PHE QE 2 31 ILE MD 5.000 . 5.000 3.352 3.171 3.542 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
62 1 13 PHE QE 2 31 ILE MG 5.000 . 5.000 2.203 2.085 2.246 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
63 1 13 PHE QE 2 34 LEU HB3 5.000 . 5.000 2.518 2.095 3.236 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
64 1 13 PHE QE 2 34 LEU HB2 5.000 . 5.000 4.109 3.738 4.595 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
65 1 13 PHE QE 2 34 LEU QD 5.000 . 5.000 2.069 1.713 2.227 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
66 1 13 PHE QE 2 34 LEU H 5.000 . 5.000 4.241 4.090 4.456 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
67 1 13 PHE QE 2 35 TRP HA 5.000 . 5.000 3.719 3.440 3.876 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
68 1 13 PHE QE 2 35 TRP QB 5.000 . 5.000 2.745 2.641 2.851 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
69 1 13 PHE QE 2 35 TRP HE3 5.000 . 5.000 3.219 3.123 3.265 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
70 1 13 PHE QE 2 35 TRP HZ3 5.000 . 5.000 3.518 3.433 3.593 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
71 1 13 PHE HZ 2 9 LEU HA 5.000 . 5.000 3.060 2.846 3.310 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
72 1 13 PHE HZ 2 9 LEU HB2 5.000 . 5.000 3.463 3.347 3.586 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
73 1 13 PHE HZ 2 9 LEU QD 5.000 . 5.000 2.344 2.015 3.173 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
74 1 13 PHE HZ 2 9 LEU HG 5.000 . 5.000 4.429 2.690 4.601 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
75 1 13 PHE HZ 2 13 GLY QA 5.000 . 5.000 2.514 2.306 2.713 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
76 1 13 PHE HZ 2 31 ILE HA 5.000 . 5.000 4.353 4.255 4.502 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
77 1 13 PHE HZ 2 31 ILE MD 5.000 . 5.000 3.851 3.541 4.210 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
78 1 13 PHE HZ 2 31 ILE MG 5.000 . 5.000 3.553 3.443 3.683 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
79 1 13 PHE HZ 2 34 LEU HB3 5.000 . 5.000 3.882 3.445 4.398 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
80 1 13 PHE HZ 2 34 LEU QD 5.000 . 5.000 1.710 1.607 1.759 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
81 1 13 PHE HZ 2 35 TRP HA 5.000 . 5.000 4.567 4.331 4.769 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
82 1 13 PHE HZ 2 35 TRP QB 5.000 . 5.000 4.504 4.335 4.558 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
83 1 13 PHE HZ 2 35 TRP HE3 5.000 . 5.000 3.732 3.595 3.806 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
84 1 13 PHE HZ 2 35 TRP HZ3 5.000 . 5.000 4.988 4.844 5.070 0.070 37 0 "[ . 1 . 2 . 3 . 4]" 3
85 1 14 TYR HA 2 17 VAL QG 5.000 . 5.000 3.476 3.357 3.576 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
86 1 14 TYR HA 2 31 ILE MD 5.000 . 5.000 2.188 1.966 2.431 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
87 1 14 TYR HA 2 31 ILE QG 5.000 . 5.000 4.126 3.948 4.339 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
88 1 14 TYR HA 2 31 ILE MG 5.000 . 5.000 1.910 1.756 2.060 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
89 1 14 TYR HA 2 32 PHE QD 5.000 . 5.000 4.712 4.604 4.777 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
90 1 14 TYR HA 2 32 PHE QE 5.000 . 5.000 4.140 4.041 4.237 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
91 1 14 TYR QB 2 31 ILE HB 5.000 . 5.000 3.674 3.567 3.868 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
92 1 14 TYR QB 2 31 ILE MG 5.000 . 5.000 1.987 1.904 2.133 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
93 1 14 TYR QB 2 32 PHE QD 5.000 . 5.000 2.899 2.790 2.976 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
94 1 14 TYR QB 2 32 PHE QE 5.000 . 5.000 1.838 1.734 1.929 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
95 1 14 TYR QD 2 17 VAL QG 5.000 . 5.000 3.533 3.450 3.576 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
96 1 14 TYR QD 2 27 LYS HB2 5.000 . 5.000 4.602 4.437 4.717 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
97 1 14 TYR QD 2 28 LYS HA 5.000 . 5.000 2.839 2.477 3.070 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
98 1 14 TYR QD 2 28 LYS QD 5.000 . 5.000 4.063 4.022 4.187 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
99 1 14 TYR QD 2 28 LYS QE 5.000 . 5.000 2.627 2.308 2.824 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
100 1 14 TYR QD 2 28 LYS QG 5.000 . 5.000 3.664 2.910 3.857 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
101 1 14 TYR QD 2 31 ILE HA 5.000 . 5.000 4.539 4.469 4.640 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
102 1 14 TYR QD 2 31 ILE HB 5.000 . 5.000 1.879 1.777 2.069 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
103 1 14 TYR QD 2 31 ILE MD 5.000 . 5.000 2.290 2.027 2.525 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
104 1 14 TYR QD 2 31 ILE QG 5.000 . 5.000 2.923 2.767 3.080 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
105 1 14 TYR QD 2 31 ILE MG 5.000 . 5.000 1.706 1.645 1.771 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
106 1 14 TYR QD 2 32 PHE QD 5.000 . 5.000 2.893 2.788 2.957 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
107 1 14 TYR QD 2 32 PHE QE 5.000 . 5.000 2.889 2.774 2.944 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
108 1 14 TYR QE 2 17 VAL QG 5.000 . 5.000 3.448 3.386 3.525 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
109 1 14 TYR QE 2 27 LYS HA 5.000 . 5.000 4.342 4.161 4.516 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
110 1 14 TYR QE 2 27 LYS HB3 5.000 . 5.000 4.453 4.275 4.606 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
111 1 14 TYR QE 2 27 LYS HB2 5.000 . 5.000 2.815 2.624 3.002 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
112 1 14 TYR QE 2 27 LYS QD 5.000 . 5.000 4.012 3.706 4.199 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
113 1 14 TYR QE 2 28 LYS HA 5.000 . 5.000 1.963 1.792 2.098 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
114 1 14 TYR QE 2 28 LYS QB 5.000 . 5.000 3.743 3.503 3.948 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
115 1 14 TYR QE 2 28 LYS QD 5.000 . 5.000 3.682 3.064 3.961 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
116 1 14 TYR QE 2 28 LYS QE 5.000 . 5.000 2.590 2.303 3.018 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
117 1 14 TYR QE 2 28 LYS QG 5.000 . 5.000 2.550 2.356 2.655 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
118 1 14 TYR QE 2 28 LYS H 5.000 . 5.000 3.168 2.893 3.368 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
119 1 14 TYR QE 2 31 ILE HB 5.000 . 5.000 3.016 2.856 3.135 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
120 1 14 TYR QE 2 31 ILE MD 5.000 . 5.000 3.208 2.994 3.520 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
121 1 14 TYR QE 2 31 ILE QG 5.000 . 5.000 3.062 2.783 3.319 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
122 1 14 TYR QE 2 31 ILE MG 5.000 . 5.000 3.783 3.696 3.839 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
123 1 14 TYR QE 2 32 PHE QD 5.000 . 5.000 4.236 4.141 4.349 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
124 1 14 TYR QE 2 32 PHE QE 5.000 . 5.000 4.118 4.005 4.199 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
125 1 17 LEU HA 2 14 ARG QD 5.000 . 5.000 3.200 2.057 4.409 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
126 1 17 LEU HA 2 17 VAL QG 5.000 . 5.000 3.283 2.885 3.524 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
127 1 17 LEU QB 2 14 ARG HA 5.000 . 5.000 2.585 2.357 3.032 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
128 1 17 LEU QB 2 17 VAL QG 5.000 . 5.000 1.631 1.551 1.711 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
129 1 17 LEU MD1 2 9 LEU HB3 5.000 . 5.000 3.644 3.404 3.797 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
130 1 17 LEU MD1 2 9 LEU HB2 5.000 . 5.000 4.538 4.407 4.573 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
131 1 17 LEU MD1 2 13 GLY QA 5.000 . 5.000 2.631 2.534 2.996 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
132 1 17 LEU MD1 2 14 ARG HA 5.000 . 5.000 4.367 4.193 4.452 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
133 1 17 LEU MD1 2 14 ARG H 5.000 . 5.000 4.273 4.165 4.396 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
134 1 17 LEU MD1 2 17 VAL QG 5.000 . 5.000 2.838 2.636 3.122 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
135 1 17 LEU MD1 2 31 ILE HA 5.000 . 5.000 4.213 3.996 4.311 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
136 1 17 LEU MD1 2 31 ILE MD 5.000 . 5.000 1.633 1.583 1.674 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
137 1 17 LEU MD1 2 31 ILE QG 5.000 . 5.000 3.317 3.128 3.471 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
138 1 17 LEU MD1 2 31 ILE MG 5.000 . 5.000 2.124 1.989 2.213 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
139 1 17 LEU MD1 2 34 LEU QD 5.000 . 5.000 3.036 2.781 3.164 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
140 1 17 LEU MD2 2 9 LEU HB2 5.000 . 5.000 3.984 3.843 4.166 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
141 1 17 LEU MD2 2 10 SER HA 5.000 . 5.000 3.036 2.310 3.490 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
142 1 17 LEU MD2 2 13 GLY QA 5.000 . 5.000 1.790 1.671 2.357 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
143 1 17 LEU MD2 2 13 GLY H 5.000 . 5.000 3.525 3.240 4.064 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
144 1 17 LEU MD2 2 14 ARG HA 5.000 . 5.000 2.334 1.773 2.781 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
145 1 17 LEU MD2 2 14 ARG QB 5.000 . 5.000 2.501 2.098 2.954 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
146 1 17 LEU MD2 2 14 ARG QD 5.000 . 5.000 3.075 2.071 3.818 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
147 1 17 LEU MD2 2 14 ARG HE 5.000 . 5.000 4.263 4.031 4.505 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
148 1 17 LEU MD2 2 14 ARG QG 5.000 . 5.000 3.335 2.195 3.948 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
149 1 17 LEU MD2 2 17 VAL HB 5.000 . 5.000 3.645 3.104 4.075 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
150 1 17 LEU MD2 2 17 VAL QG 5.000 . 5.000 2.550 2.300 2.743 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
151 1 17 LEU MD2 2 31 ILE MD 5.000 . 5.000 2.581 2.366 2.882 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
152 1 17 LEU MD2 2 31 ILE QG 5.000 . 5.000 3.880 3.808 3.966 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
153 1 17 LEU MD2 2 31 ILE MG 5.000 . 5.000 3.714 3.661 3.809 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
154 1 17 LEU MD2 2 34 LEU QD 5.000 . 5.000 3.186 3.099 3.340 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
155 1 17 LEU HG 2 17 VAL QG 5.000 . 5.000 3.839 3.764 3.899 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
156 1 18 HIS HA 2 17 VAL HB 5.000 . 5.000 4.932 4.610 5.315 0.315 26 0 "[ . 1 . 2 . 3 . 4]" 3
157 1 18 HIS HA 2 17 VAL QG 5.000 . 5.000 2.207 1.937 2.521 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
158 1 18 HIS HB3 2 17 VAL QG 5.000 . 5.000 3.649 3.457 3.832 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
159 1 18 HIS HB2 2 17 VAL QG 5.000 . 5.000 3.588 3.496 3.659 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
160 1 18 HIS HD2 2 17 VAL HB 5.000 . 5.000 5.096 4.864 5.234 0.234 28 0 "[ . 1 . 2 . 3 . 4]" 3
161 1 18 HIS HD2 2 17 VAL QG 5.000 . 5.000 2.413 2.292 2.627 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
162 1 18 HIS HD2 2 28 LYS HA 5.000 . 5.000 5.228 5.154 5.288 0.288 35 0 "[ . 1 . 2 . 3 . 4]" 3
163 1 18 HIS HD2 2 28 LYS QE 5.000 . 5.000 4.707 4.604 4.831 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
164 1 18 HIS HD2 2 31 ILE HB 5.000 . 5.000 4.923 4.721 5.076 0.076 35 0 "[ . 1 . 2 . 3 . 4]" 3
165 1 18 HIS HD2 2 31 ILE MD 5.000 . 5.000 2.527 2.253 2.843 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
166 1 18 HIS HD2 2 31 ILE QG 5.000 . 5.000 4.400 4.172 4.626 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
167 1 18 HIS HD2 2 31 ILE MG 5.000 . 5.000 3.712 3.471 3.963 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
168 1 18 HIS HE1 2 17 VAL HB 5.000 . 5.000 5.004 4.744 5.175 0.175 32 0 "[ . 1 . 2 . 3 . 4]" 3
169 1 18 HIS HE1 2 17 VAL QG 5.000 . 5.000 2.694 2.589 2.896 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
170 1 18 HIS HE1 2 27 LYS HB2 5.000 . 5.000 2.672 2.090 3.107 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
171 1 18 HIS HE1 2 27 LYS QD 5.000 . 5.000 1.659 1.586 1.750 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
172 1 18 HIS HE1 2 28 LYS HA 5.000 . 5.000 5.189 5.060 5.298 0.298 16 0 "[ . 1 . 2 . 3 . 4]" 3
173 1 18 HIS HE1 2 28 LYS QG 5.000 . 5.000 4.704 4.516 4.872 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
174 1 18 HIS HE1 2 31 ILE MD 5.000 . 5.000 4.263 4.207 4.334 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
175 1 18 HIS HE1 2 31 ILE QG 5.000 . 5.000 4.635 4.517 4.749 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
176 1 27 ARG QD 2 14 ARG QG 5.000 . 5.000 2.843 1.689 4.105 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
177 1 28 ASN HA 2 10 SER QB 5.000 . 5.000 2.368 1.816 3.109 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
178 1 28 ASN HA 2 10 SER HB3 5.000 . 5.000 3.648 2.073 4.173 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
179 1 28 ASN HA 2 10 SER HB2 5.000 . 5.000 2.502 1.823 4.107 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
180 1 28 ASN HA 2 10 SER H 5.000 . 5.000 4.357 3.592 4.856 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
181 1 28 ASN QB 2 10 SER HA 5.000 . 5.000 4.009 3.635 4.482 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
182 1 28 ASN QB 2 10 SER QB 5.000 . 5.000 2.090 1.663 2.758 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
183 1 28 ASN HB3 2 10 SER HA 5.000 . 5.000 4.890 3.987 5.498 0.498 10 0 "[ . 1 . 2 . 3 . 4]" 3
184 1 28 ASN HB3 2 10 SER HB3 5.000 . 5.000 3.829 2.771 4.660 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
185 1 28 ASN HB3 2 10 SER HB2 5.000 . 5.000 2.924 1.941 3.717 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
186 1 28 ASN HB2 2 10 SER HA 5.000 . 5.000 4.639 3.699 5.498 0.498 39 0 "[ . 1 . 2 . 3 . 4]" 3
187 1 28 ASN HB2 2 10 SER HB3 5.000 . 5.000 3.927 2.170 5.109 0.109 16 0 "[ . 1 . 2 . 3 . 4]" 3
188 1 28 ASN HB2 2 10 SER HB2 5.000 . 5.000 2.863 1.700 5.103 0.103 39 0 "[ . 1 . 2 . 3 . 4]" 3
189 1 31 ILE HA 2 9 LEU QD 5.000 . 5.000 3.800 3.727 3.883 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
190 1 31 ILE HA 2 35 TRP HE3 5.000 . 5.000 5.008 4.867 5.127 0.127 24 0 "[ . 1 . 2 . 3 . 4]" 3
191 1 31 ILE HA 2 35 TRP HH2 5.000 . 5.000 2.710 2.624 2.806 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
192 1 31 ILE HA 2 35 TRP HZ2 5.000 . 5.000 5.069 4.996 5.149 0.149 24 0 "[ . 1 . 2 . 3 . 4]" 3
193 1 31 ILE HA 2 35 TRP HZ3 5.000 . 5.000 2.661 2.531 2.786 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
194 1 31 ILE HB 2 9 LEU QD 5.000 . 5.000 3.903 3.859 3.953 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
195 1 31 ILE HB 2 10 SER HB3 5.000 . 5.000 4.929 3.706 5.197 0.197 5 0 "[ . 1 . 2 . 3 . 4]" 3
196 1 31 ILE HB 2 10 SER HB2 5.000 . 5.000 4.315 3.573 5.186 0.186 39 0 "[ . 1 . 2 . 3 . 4]" 3
197 1 31 ILE HB 2 35 TRP HZ3 5.000 . 5.000 4.235 4.149 4.299 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
198 1 31 ILE MD 2 9 LEU HB3 5.000 . 5.000 2.980 2.801 3.216 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
199 1 31 ILE MD 2 9 LEU QD 5.000 . 5.000 3.244 3.206 3.287 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
200 1 31 ILE MD 2 9 LEU H 5.000 . 5.000 4.279 4.045 4.366 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
201 1 31 ILE MD 2 10 SER HA 3.500 . 3.500 2.452 2.161 2.694 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
202 1 31 ILE MD 2 10 SER QB 5.000 . 5.000 2.984 2.257 3.465 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
203 1 31 ILE QG 2 9 LEU QD 5.000 . 5.000 3.123 2.888 3.325 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
204 1 31 ILE MG 2 9 LEU HB3 5.000 . 5.000 2.702 2.553 2.929 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
205 1 31 ILE MG 2 9 LEU HB2 5.000 . 5.000 1.682 1.614 1.819 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
206 1 31 ILE MG 2 9 LEU QD 5.000 . 5.000 1.554 1.515 1.599 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
207 1 31 ILE MG 2 9 LEU HG 5.000 . 5.000 3.141 3.019 3.303 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
208 1 31 ILE MG 2 9 LEU H 5.000 . 5.000 3.401 3.119 3.572 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
209 1 31 ILE MG 2 35 TRP HE3 5.000 . 5.000 3.378 3.209 3.518 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
210 1 31 ILE MG 2 35 TRP HH2 5.000 . 5.000 3.108 2.919 3.333 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
211 1 31 ILE MG 2 35 TRP HZ3 5.000 . 5.000 1.823 1.670 1.946 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
212 1 34 LEU QB 2 35 TRP HH2 5.000 . 5.000 1.863 1.738 2.016 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
213 1 34 LEU QB 2 35 TRP HZ2 5.000 . 5.000 3.500 3.341 3.641 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
214 1 34 LEU QB 2 35 TRP HZ3 5.000 . 5.000 3.475 3.375 3.554 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
215 1 34 LEU MD1 2 35 TRP HH2 5.000 . 5.000 3.986 3.879 4.129 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
216 1 34 LEU MD1 2 35 TRP HZ2 5.000 . 5.000 3.581 3.493 3.828 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
217 1 34 LEU MD2 2 35 TRP HE3 5.000 . 5.000 3.854 3.678 4.029 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
218 1 34 LEU MD2 2 35 TRP HH2 5.000 . 5.000 2.470 2.409 2.562 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
219 1 34 LEU MD2 2 35 TRP HZ2 5.000 . 5.000 3.186 2.917 3.375 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
220 1 34 LEU MD2 2 35 TRP HZ3 5.000 . 5.000 2.838 2.697 2.963 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
221 1 34 LEU HG 2 35 TRP HH2 5.000 . 5.000 2.562 2.376 2.875 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
222 1 35 LYS HA 2 35 TRP HH2 5.000 . 5.000 2.950 2.754 3.139 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
223 1 35 LYS HA 2 35 TRP HZ2 5.000 . 5.000 2.408 2.205 2.658 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
224 1 35 LYS QB 2 35 TRP HH2 5.000 . 5.000 3.161 2.714 3.447 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
225 1 35 LYS QB 2 35 TRP HZ2 5.000 . 5.000 4.280 3.932 4.512 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
226 1 35 LYS HB3 2 9 LEU QD 5.000 . 5.000 4.020 3.909 4.064 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
227 1 35 LYS HB3 2 35 TRP HH2 5.000 . 5.000 4.301 4.107 4.403 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
228 1 35 LYS HB3 2 35 TRP HZ3 5.000 . 5.000 5.190 5.091 5.271 0.271 27 0 "[ . 1 . 2 . 3 . 4]" 3
229 1 35 LYS HB2 2 9 LEU QD 5.000 . 5.000 3.705 3.432 3.899 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
230 1 35 LYS HB2 2 35 TRP HH2 5.000 . 5.000 3.255 2.754 3.634 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
231 1 35 LYS QD 2 9 LEU QD 5.000 . 5.000 2.161 1.560 3.236 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
232 1 35 LYS QD 2 35 TRP HH2 5.000 . 5.000 4.270 2.965 4.567 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
233 1 35 LYS QE 2 9 LEU QD 5.000 . 5.000 1.859 1.656 3.330 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
234 1 35 LYS QE 2 35 TRP HH2 5.000 . 5.000 4.367 4.202 4.702 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
235 1 35 LYS QG 2 9 LEU QD 5.000 . 5.000 2.057 1.837 2.222 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
236 1 35 LYS QG 2 35 TRP HH2 5.000 . 5.000 2.394 1.949 2.574 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
237 1 35 LYS QG 2 35 TRP HZ2 5.000 . 5.000 3.089 2.623 3.733 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
238 1 35 LYS QG 2 35 TRP HZ3 5.000 . 5.000 2.345 2.146 2.633 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
stop_
save_
save_distance_constraint_statistics_4
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 4
_Distance_constraint_stats_list.Constraint_count 46
_Distance_constraint_stats_list.Viol_count 425
_Distance_constraint_stats_list.Viol_total 945.540
_Distance_constraint_stats_list.Viol_max 0.250
_Distance_constraint_stats_list.Viol_rms 0.0345
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0128
_Distance_constraint_stats_list.Viol_average_violations_only 0.0556
_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
2 9 LEU 0.028 0.028 26 0 "[ . 1 . 2 . 3 . 4]"
2 10 SER 11.485 0.250 26 0 "[ . 1 . 2 . 3 . 4]"
2 11 VAL 0.330 0.128 26 0 "[ . 1 . 2 . 3 . 4]"
2 12 ALA 0.242 0.106 24 0 "[ . 1 . 2 . 3 . 4]"
2 13 GLY 0.028 0.028 26 0 "[ . 1 . 2 . 3 . 4]"
2 14 ARG 11.961 0.250 26 0 "[ . 1 . 2 . 3 . 4]"
2 15 GLU 1.500 0.128 26 0 "[ . 1 . 2 . 3 . 4]"
2 16 ILE 0.242 0.106 24 0 "[ . 1 . 2 . 3 . 4]"
2 18 THR 0.476 0.074 30 0 "[ . 1 . 2 . 3 . 4]"
2 19 LEU 1.170 0.083 14 0 "[ . 1 . 2 . 3 . 4]"
2 24 ASP 0.657 0.119 31 0 "[ . 1 . 2 . 3 . 4]"
2 25 PRO 2.030 0.193 38 0 "[ . 1 . 2 . 3 . 4]"
2 26 GLN 0.375 0.076 31 0 "[ . 1 . 2 . 3 . 4]"
2 27 LYS 1.768 0.124 23 0 "[ . 1 . 2 . 3 . 4]"
2 28 LYS 0.657 0.119 31 0 "[ . 1 . 2 . 3 . 4]"
2 29 ALA 2.030 0.193 38 0 "[ . 1 . 2 . 3 . 4]"
2 30 PHE 0.750 0.076 31 0 "[ . 1 . 2 . 3 . 4]"
2 31 ILE 2.209 0.124 23 0 "[ . 1 . 2 . 3 . 4]"
2 32 PHE 1.214 0.173 37 0 "[ . 1 . 2 . 3 . 4]"
2 33 SER 0.032 0.015 31 0 "[ . 1 . 2 . 3 . 4]"
2 34 LEU 0.375 0.060 16 0 "[ . 1 . 2 . 3 . 4]"
2 35 TRP 0.441 0.039 15 0 "[ . 1 . 2 . 3 . 4]"
2 36 ASP 1.214 0.173 37 0 "[ . 1 . 2 . 3 . 4]"
2 37 ASP 0.032 0.015 31 0 "[ . 1 . 2 . 3 . 4]"
2 40 GLN 1.615 0.098 37 0 "[ . 1 . 2 . 3 . 4]"
2 41 SER 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
2 42 ALA 0.124 0.042 33 0 "[ . 1 . 2 . 3 . 4]"
2 43 ASN 0.397 0.040 27 0 "[ . 1 . 2 . 3 . 4]"
2 44 LEU 1.615 0.098 37 0 "[ . 1 . 2 . 3 . 4]"
2 45 LEU 0.354 0.045 30 0 "[ . 1 . 2 . 3 . 4]"
2 46 ALA 0.615 0.080 28 0 "[ . 1 . 2 . 3 . 4]"
2 47 GLU 0.433 0.040 27 0 "[ . 1 . 2 . 3 . 4]"
2 48 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
2 49 LYS 0.354 0.045 30 0 "[ . 1 . 2 . 3 . 4]"
2 50 LYS 0.491 0.080 28 0 "[ . 1 . 2 . 3 . 4]"
2 51 LEU 0.036 0.033 31 0 "[ . 1 . 2 . 3 . 4]"
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 2 9 LEU O 2 13 GLY H 2.000 . 2.400 2.157 1.969 2.428 0.028 26 0 "[ . 1 . 2 . 3 . 4]" 4
2 2 9 LEU O 2 13 GLY N 2.800 2.600 3.200 2.766 2.672 2.884 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
3 2 10 SER O 2 14 ARG H 2.000 . 2.400 2.526 2.464 2.650 0.250 26 0 "[ . 1 . 2 . 3 . 4]" 4
4 2 10 SER O 2 14 ARG N 2.800 2.600 3.200 3.361 3.309 3.422 0.222 34 0 "[ . 1 . 2 . 3 . 4]" 4
5 2 11 VAL O 2 15 GLU H 2.000 . 2.400 2.211 2.056 2.407 0.007 26 0 "[ . 1 . 2 . 3 . 4]" 4
6 2 11 VAL O 2 15 GLU N 2.800 2.600 3.200 3.146 2.986 3.328 0.128 26 0 "[ . 1 . 2 . 3 . 4]" 4
7 2 12 ALA O 2 16 ILE H 2.000 . 2.400 2.175 1.984 2.402 0.002 24 0 "[ . 1 . 2 . 3 . 4]" 4
8 2 12 ALA O 2 16 ILE N 2.800 2.600 3.200 3.097 2.922 3.306 0.106 24 0 "[ . 1 . 2 . 3 . 4]" 4
9 2 14 ARG O 2 18 THR H 2.000 . 2.400 2.238 1.837 2.474 0.074 30 0 "[ . 1 . 2 . 3 . 4]" 4
10 2 14 ARG O 2 18 THR N 2.800 2.600 3.200 3.024 2.719 3.271 0.071 14 0 "[ . 1 . 2 . 3 . 4]" 4
11 2 15 GLU O 2 19 LEU H 2.000 . 2.400 2.396 2.064 2.483 0.083 14 0 "[ . 1 . 2 . 3 . 4]" 4
12 2 15 GLU O 2 19 LEU N 2.800 2.600 3.200 2.932 2.748 3.215 0.015 19 0 "[ . 1 . 2 . 3 . 4]" 4
13 2 24 ASP O 2 28 LYS H 2.000 . 2.400 2.297 2.097 2.407 0.007 32 0 "[ . 1 . 2 . 3 . 4]" 4
14 2 24 ASP O 2 28 LYS N 2.800 2.600 3.200 3.177 2.985 3.319 0.119 31 0 "[ . 1 . 2 . 3 . 4]" 4
15 2 25 PRO O 2 29 ALA H 2.000 . 2.400 2.282 2.036 2.413 0.013 38 0 "[ . 1 . 2 . 3 . 4]" 4
16 2 25 PRO O 2 29 ALA N 2.800 2.600 3.200 3.233 2.940 3.393 0.193 38 0 "[ . 1 . 2 . 3 . 4]" 4
17 2 26 GLN O 2 30 PHE H 2.000 . 2.400 2.041 1.866 2.378 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
18 2 26 GLN O 2 30 PHE N 2.800 2.600 3.200 2.943 2.748 3.276 0.076 31 0 "[ . 1 . 2 . 3 . 4]" 4
19 2 27 LYS O 2 31 ILE H 2.000 . 2.400 1.801 1.676 2.047 0.124 23 0 "[ . 1 . 2 . 3 . 4]" 4
20 2 27 LYS O 2 31 ILE N 2.800 2.600 3.200 2.763 2.646 2.998 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
21 2 28 LYS O 2 32 PHE H 2.000 . 2.400 2.005 1.844 2.217 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
22 2 28 LYS O 2 32 PHE N 2.800 2.600 3.200 2.963 2.804 3.182 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
23 2 30 PHE O 2 34 LEU H 2.000 . 2.400 1.860 1.740 1.966 0.060 16 0 "[ . 1 . 2 . 3 . 4]" 4
24 2 30 PHE O 2 34 LEU N 2.800 2.600 3.200 2.735 2.599 2.871 0.001 21 0 "[ . 1 . 2 . 3 . 4]" 4
25 2 31 ILE O 2 35 TRP H 2.000 . 2.400 1.833 1.761 1.955 0.039 15 0 "[ . 1 . 2 . 3 . 4]" 4
26 2 31 ILE O 2 35 TRP N 2.800 2.600 3.200 2.747 2.655 2.881 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
27 2 32 PHE O 2 36 ASP H 2.000 . 2.400 2.286 1.983 2.414 0.014 37 0 "[ . 1 . 2 . 3 . 4]" 4
28 2 32 PHE O 2 36 ASP N 2.800 2.600 3.200 3.215 2.959 3.373 0.173 37 0 "[ . 1 . 2 . 3 . 4]" 4
29 2 33 SER O 2 37 ASP H 2.000 . 2.400 1.873 1.785 2.116 0.015 31 0 "[ . 1 . 2 . 3 . 4]" 4
30 2 33 SER O 2 37 ASP N 2.800 2.600 3.200 2.814 2.659 3.096 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
31 2 40 GLN O 2 44 LEU H 2.000 . 2.400 1.770 1.702 2.060 0.098 37 0 "[ . 1 . 2 . 3 . 4]" 4
32 2 40 GLN O 2 44 LEU N 2.800 2.600 3.200 2.621 2.562 2.967 0.038 7 0 "[ . 1 . 2 . 3 . 4]" 4
33 2 41 SER O 2 45 LEU H 2.000 . 2.400 1.979 1.831 2.099 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
34 2 41 SER O 2 45 LEU N 2.800 2.600 3.200 2.938 2.781 3.062 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
35 2 42 ALA O 2 46 ALA H 2.000 . 2.400 2.173 1.895 2.280 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
36 2 42 ALA O 2 46 ALA N 2.800 2.600 3.200 3.109 2.819 3.242 0.042 33 0 "[ . 1 . 2 . 3 . 4]" 4
37 2 43 ASN O 2 47 GLU H 2.000 . 2.400 1.808 1.760 1.906 0.040 27 0 "[ . 1 . 2 . 3 . 4]" 4
38 2 43 ASN O 2 47 GLU N 2.800 2.600 3.200 2.716 2.670 2.802 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
39 2 44 LEU O 2 48 ALA H 2.000 . 2.400 1.874 1.804 2.000 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
40 2 44 LEU O 2 48 ALA N 2.800 2.600 3.200 2.732 2.656 2.853 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
41 2 45 LEU O 2 49 LYS H 2.000 . 2.400 2.171 1.916 2.307 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
42 2 45 LEU O 2 49 LYS N 2.800 2.600 3.200 3.133 2.896 3.245 0.045 30 0 "[ . 1 . 2 . 3 . 4]" 4
43 2 46 ALA O 2 50 LYS H 2.000 . 2.400 1.822 1.720 1.989 0.080 28 0 "[ . 1 . 2 . 3 . 4]" 4
44 2 46 ALA O 2 50 LYS N 2.800 2.600 3.200 2.791 2.689 2.951 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
45 2 47 GLU O 2 51 LEU H 2.000 . 2.400 1.921 1.767 2.082 0.033 31 0 "[ . 1 . 2 . 3 . 4]" 4
46 2 47 GLU O 2 51 LEU N 2.800 2.600 3.200 2.812 2.664 2.925 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
stop_
save_
save_distance_constraint_statistics_5
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 5
_Distance_constraint_stats_list.Constraint_count 36
_Distance_constraint_stats_list.Viol_count 376
_Distance_constraint_stats_list.Viol_total 888.350
_Distance_constraint_stats_list.Viol_max 0.163
_Distance_constraint_stats_list.Viol_rms 0.0346
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0154
_Distance_constraint_stats_list.Viol_average_violations_only 0.0591
_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 10 GLN 0.882 0.109 11 0 "[ . 1 . 2 . 3 . 4]"
1 11 ASN 1.754 0.072 3 0 "[ . 1 . 2 . 3 . 4]"
1 12 ALA 1.639 0.086 7 0 "[ . 1 . 2 . 3 . 4]"
1 13 PHE 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 14 TYR 0.882 0.109 11 0 "[ . 1 . 2 . 3 . 4]"
1 15 GLU 1.754 0.072 3 0 "[ . 1 . 2 . 3 . 4]"
1 16 ILE 1.639 0.086 7 0 "[ . 1 . 2 . 3 . 4]"
1 17 LEU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 24 GLU 0.208 0.073 15 0 "[ . 1 . 2 . 3 . 4]"
1 25 GLU 4.261 0.155 4 0 "[ . 1 . 2 . 3 . 4]"
1 26 GLN 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 28 ASN 0.306 0.073 15 0 "[ . 1 . 2 . 3 . 4]"
1 29 ALA 4.261 0.155 4 0 "[ . 1 . 2 . 3 . 4]"
1 30 PHE 1.111 0.079 21 0 "[ . 1 . 2 . 3 . 4]"
1 31 ILE 0.112 0.033 8 0 "[ . 1 . 2 . 3 . 4]"
1 32 GLN 0.098 0.036 39 0 "[ . 1 . 2 . 3 . 4]"
1 33 SER 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 34 LEU 1.111 0.079 21 0 "[ . 1 . 2 . 3 . 4]"
1 35 LYS 0.112 0.033 8 0 "[ . 1 . 2 . 3 . 4]"
1 40 GLN 0.437 0.043 31 0 "[ . 1 . 2 . 3 . 4]"
1 41 SER 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 43 ASN 4.439 0.126 4 0 "[ . 1 . 2 . 3 . 4]"
1 44 LEU 0.535 0.043 31 0 "[ . 1 . 2 . 3 . 4]"
1 45 LEU 6.944 0.163 15 0 "[ . 1 . 2 . 3 . 4]"
1 47 GLU 4.660 0.126 4 0 "[ . 1 . 2 . 3 . 4]"
1 48 ALA 0.101 0.018 16 0 "[ . 1 . 2 . 3 . 4]"
1 49 LYS 6.944 0.163 15 0 "[ . 1 . 2 . 3 . 4]"
1 51 LEU 0.222 0.044 10 0 "[ . 1 . 2 . 3 . 4]"
1 52 ASN 0.004 0.004 39 0 "[ . 1 . 2 . 3 . 4]"
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 10 GLN O 1 14 TYR H 2.000 . 2.400 1.868 1.691 2.012 0.109 11 0 "[ . 1 . 2 . 3 . 4]" 5
2 1 10 GLN O 1 14 TYR N 2.800 2.600 3.200 2.822 2.634 2.952 . 0 0 "[ . 1 . 2 . 3 . 4]" 5
3 1 11 ASN O 1 15 GLU H 2.000 . 2.400 1.770 1.728 1.993 0.072 3 0 "[ . 1 . 2 . 3 . 4]" 5
4 1 11 ASN O 1 15 GLU N 2.800 2.600 3.200 2.738 2.694 2.955 . 0 0 "[ . 1 . 2 . 3 . 4]" 5
5 1 12 ALA O 1 16 ILE H 2.000 . 2.400 1.759 1.714 1.791 0.086 7 0 "[ . 1 . 2 . 3 . 4]" 5
6 1 12 ALA O 1 16 ILE N 2.800 2.600 3.200 2.715 2.665 2.737 . 0 0 "[ . 1 . 2 . 3 . 4]" 5
7 1 13 PHE O 1 17 LEU H 2.000 . 2.400 1.974 1.895 2.030 . 0 0 "[ . 1 . 2 . 3 . 4]" 5
8 1 13 PHE O 1 17 LEU N 2.800 2.600 3.200 2.937 2.854 2.993 . 0 0 "[ . 1 . 2 . 3 . 4]" 5
9 1 24 GLU O 1 28 ASN H 2.000 . 2.400 2.216 1.952 2.402 0.002 15 0 "[ . 1 . 2 . 3 . 4]" 5
10 1 24 GLU O 1 28 ASN N 2.800 2.600 3.200 3.068 2.836 3.273 0.073 15 0 "[ . 1 . 2 . 3 . 4]" 5
11 1 25 GLU O 1 29 ALA H 2.000 . 2.400 2.391 2.127 2.488 0.088 13 0 "[ . 1 . 2 . 3 . 4]" 5
12 1 25 GLU O 1 29 ALA N 2.800 2.600 3.200 3.267 3.039 3.355 0.155 4 0 "[ . 1 . 2 . 3 . 4]" 5
13 1 26 GLN O 1 30 PHE H 2.000 . 2.400 2.124 2.008 2.232 . 0 0 "[ . 1 . 2 . 3 . 4]" 5
14 1 26 GLN O 1 30 PHE N 2.800 2.600 3.200 3.005 2.860 3.126 . 0 0 "[ . 1 . 2 . 3 . 4]" 5
15 1 28 ASN O 1 32 GLN H 2.000 . 2.400 2.130 1.889 2.436 0.036 39 0 "[ . 1 . 2 . 3 . 4]" 5
16 1 28 ASN O 1 32 GLN N 2.800 2.600 3.200 2.933 2.712 3.236 0.036 39 0 "[ . 1 . 2 . 3 . 4]" 5
17 1 29 ALA O 1 33 SER H 2.000 . 2.400 1.932 1.815 2.089 . 0 0 "[ . 1 . 2 . 3 . 4]" 5
18 1 29 ALA O 1 33 SER N 2.800 2.600 3.200 2.894 2.774 3.042 . 0 0 "[ . 1 . 2 . 3 . 4]" 5
19 1 30 PHE O 1 34 LEU H 2.000 . 2.400 1.773 1.721 1.809 0.079 21 0 "[ . 1 . 2 . 3 . 4]" 5
20 1 30 PHE O 1 34 LEU N 2.800 2.600 3.200 2.625 2.593 2.663 0.007 22 0 "[ . 1 . 2 . 3 . 4]" 5
21 1 31 ILE O 1 35 LYS H 2.000 . 2.400 1.878 1.767 2.089 0.033 8 0 "[ . 1 . 2 . 3 . 4]" 5
22 1 31 ILE O 1 35 LYS N 2.800 2.600 3.200 2.811 2.691 3.037 . 0 0 "[ . 1 . 2 . 3 . 4]" 5
23 1 40 GLN O 1 44 LEU H 2.000 . 2.400 1.800 1.757 1.860 0.043 31 0 "[ . 1 . 2 . 3 . 4]" 5
24 1 40 GLN O 1 44 LEU N 2.800 2.600 3.200 2.669 2.628 2.737 . 0 0 "[ . 1 . 2 . 3 . 4]" 5
25 1 41 SER O 1 45 LEU H 2.000 . 2.400 1.940 1.810 2.027 . 0 0 "[ . 1 . 2 . 3 . 4]" 5
26 1 41 SER O 1 45 LEU N 2.800 2.600 3.200 2.863 2.741 2.943 . 0 0 "[ . 1 . 2 . 3 . 4]" 5
27 1 43 ASN O 1 47 GLU H 2.000 . 2.400 1.689 1.674 1.705 0.126 4 0 "[ . 1 . 2 . 3 . 4]" 5
28 1 43 ASN O 1 47 GLU N 2.800 2.600 3.200 2.626 2.607 2.645 . 0 0 "[ . 1 . 2 . 3 . 4]" 5
29 1 44 LEU O 1 48 ALA H 2.000 . 2.400 1.825 1.782 1.884 0.018 16 0 "[ . 1 . 2 . 3 . 4]" 5
30 1 44 LEU O 1 48 ALA N 2.800 2.600 3.200 2.742 2.694 2.806 . 0 0 "[ . 1 . 2 . 3 . 4]" 5
31 1 45 LEU O 1 49 LYS H 2.000 . 2.400 1.661 1.637 1.687 0.163 15 0 "[ . 1 . 2 . 3 . 4]" 5
32 1 45 LEU O 1 49 LYS N 2.800 2.600 3.200 2.566 2.541 2.595 0.059 11 0 "[ . 1 . 2 . 3 . 4]" 5
33 1 47 GLU O 1 51 LEU H 2.000 . 2.400 1.815 1.756 1.885 0.044 10 0 "[ . 1 . 2 . 3 . 4]" 5
34 1 47 GLU O 1 51 LEU N 2.800 2.600 3.200 2.657 2.598 2.700 0.002 10 0 "[ . 1 . 2 . 3 . 4]" 5
35 1 48 ALA O 1 52 ASN H 2.000 . 2.400 1.913 1.796 2.010 0.004 39 0 "[ . 1 . 2 . 3 . 4]" 5
36 1 48 ALA O 1 52 ASN N 2.800 2.600 3.200 2.771 2.665 2.844 . 0 0 "[ . 1 . 2 . 3 . 4]" 5
stop_
save_
Contact the webmaster for help, if required. Sunday, June 23, 2024 2:48:05 AM GMT (wattos1)