NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | program | type | subtype | subsubtype |
|
|
379614 |
1i11   |
5036 | cing | recoord | 4-filtered-FRED | Wattos | check | violation | distance |
data_1i11
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 1384
_Distance_constraint_stats_list.Viol_count 4939
_Distance_constraint_stats_list.Viol_total 15089.940
_Distance_constraint_stats_list.Viol_max 0.469
_Distance_constraint_stats_list.Viol_rms 0.0432
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0121
_Distance_constraint_stats_list.Viol_average_violations_only 0.1018
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 3 PRO 1.185 0.285 9 0 "[ . 1 . 2 . 3]"
1 4 HIS 1.849 0.285 9 0 "[ . 1 . 2 . 3]"
1 5 ILE 4.046 0.161 8 0 "[ . 1 . 2 . 3]"
1 6 LYS 2.850 0.224 7 0 "[ . 1 . 2 . 3]"
1 7 ARG 1.108 0.224 7 0 "[ . 1 . 2 . 3]"
1 8 PRO 3.869 0.341 7 0 "[ . 1 . 2 . 3]"
1 9 MET 28.217 0.469 26 0 "[ . 1 . 2 . 3]"
1 10 ASN 24.621 0.469 26 0 "[ . 1 . 2 . 3]"
1 11 ALA 15.566 0.355 27 0 "[ . 1 . 2 . 3]"
1 12 PHE 24.006 0.355 27 0 "[ . 1 . 2 . 3]"
1 13 MET 8.818 0.193 22 0 "[ . 1 . 2 . 3]"
1 14 VAL 19.816 0.297 12 0 "[ . 1 . 2 . 3]"
1 15 TRP 32.077 0.416 16 0 "[ . 1 . 2 . 3]"
1 16 ALA 1.895 0.068 5 0 "[ . 1 . 2 . 3]"
1 17 LYS 26.081 0.297 12 0 "[ . 1 . 2 . 3]"
1 18 ASP 13.271 0.289 30 0 "[ . 1 . 2 . 3]"
1 19 GLU 13.737 0.256 23 0 "[ . 1 . 2 . 3]"
1 20 ARG 26.197 0.288 17 0 "[ . 1 . 2 . 3]"
1 21 ARG 12.991 0.288 17 0 "[ . 1 . 2 . 3]"
1 22 LYS 19.704 0.250 6 0 "[ . 1 . 2 . 3]"
1 23 ILE 9.613 0.303 21 0 "[ . 1 . 2 . 3]"
1 24 LEU 6.530 0.252 20 0 "[ . 1 . 2 . 3]"
1 25 GLN 36.634 0.303 21 0 "[ . 1 . 2 . 3]"
1 26 ALA 19.264 0.241 22 0 "[ . 1 . 2 . 3]"
1 27 PHE 9.951 0.251 1 0 "[ . 1 . 2 . 3]"
1 28 PRO 9.505 0.251 1 0 "[ . 1 . 2 . 3]"
1 29 ASP 10.967 0.191 30 0 "[ . 1 . 2 . 3]"
1 30 MET 18.635 0.391 27 0 "[ . 1 . 2 . 3]"
1 31 HIS 14.117 0.411 29 0 "[ . 1 . 2 . 3]"
1 32 ASN 0.299 0.059 25 0 "[ . 1 . 2 . 3]"
1 33 SER 5.726 0.241 16 0 "[ . 1 . 2 . 3]"
1 34 ASN 11.588 0.288 22 0 "[ . 1 . 2 . 3]"
1 35 ILE 3.662 0.109 29 0 "[ . 1 . 2 . 3]"
1 36 SER 0.949 0.083 18 0 "[ . 1 . 2 . 3]"
1 37 LYS 8.887 0.216 14 0 "[ . 1 . 2 . 3]"
1 38 ILE 19.468 0.271 4 0 "[ . 1 . 2 . 3]"
1 39 LEU 14.303 0.254 5 0 "[ . 1 . 2 . 3]"
1 40 GLY 4.756 0.164 19 0 "[ . 1 . 2 . 3]"
1 41 SER 22.163 0.415 18 0 "[ . 1 . 2 . 3]"
1 42 ARG 36.047 0.415 18 0 "[ . 1 . 2 . 3]"
1 43 TRP 52.445 0.416 16 0 "[ . 1 . 2 . 3]"
1 44 LYS 13.117 0.227 20 0 "[ . 1 . 2 . 3]"
1 45 ALA 12.411 0.385 20 0 "[ . 1 . 2 . 3]"
1 46 MET 9.226 0.385 20 0 "[ . 1 . 2 . 3]"
1 47 THR 7.125 0.325 29 0 "[ . 1 . 2 . 3]"
1 48 ASN 5.425 0.282 28 0 "[ . 1 . 2 . 3]"
1 49 LEU 2.042 0.083 7 0 "[ . 1 . 2 . 3]"
1 50 GLU 3.154 0.311 25 0 "[ . 1 . 2 . 3]"
1 51 LYS 5.422 0.325 29 0 "[ . 1 . 2 . 3]"
1 52 GLN 1.480 0.119 25 0 "[ . 1 . 2 . 3]"
1 53 PRO 7.666 0.276 19 0 "[ . 1 . 2 . 3]"
1 54 TYR 4.728 0.209 20 0 "[ . 1 . 2 . 3]"
1 55 TYR 10.423 0.276 19 0 "[ . 1 . 2 . 3]"
1 56 GLU 11.251 0.290 22 0 "[ . 1 . 2 . 3]"
1 57 GLU 11.936 0.290 4 0 "[ . 1 . 2 . 3]"
1 58 GLN 15.644 0.352 26 0 "[ . 1 . 2 . 3]"
1 59 ALA 12.192 0.352 26 0 "[ . 1 . 2 . 3]"
1 60 ARG 6.182 0.236 20 0 "[ . 1 . 2 . 3]"
1 61 LEU 7.693 0.202 30 0 "[ . 1 . 2 . 3]"
1 62 SER 0.827 0.107 22 0 "[ . 1 . 2 . 3]"
1 63 LYS 1.871 0.072 22 0 "[ . 1 . 2 . 3]"
1 64 GLN 2.159 0.093 8 0 "[ . 1 . 2 . 3]"
1 65 HIS 3.900 0.104 1 0 "[ . 1 . 2 . 3]"
1 66 LEU 10.339 0.232 16 0 "[ . 1 . 2 . 3]"
1 67 GLU 6.562 0.199 22 0 "[ . 1 . 2 . 3]"
1 68 LYS 8.314 0.232 16 0 "[ . 1 . 2 . 3]"
1 69 TYR 3.865 0.204 19 0 "[ . 1 . 2 . 3]"
1 70 PRO 4.374 0.250 23 0 "[ . 1 . 2 . 3]"
1 71 ASP 12.299 0.375 16 0 "[ . 1 . 2 . 3]"
1 72 TYR 6.981 0.375 16 0 "[ . 1 . 2 . 3]"
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 9 MET H 1 14 VAL MG2 4.000 . 6.500 4.799 3.352 5.572 . 0 0 "[ . 1 . 2 . 3]" 1
2 1 9 MET H 1 61 LEU QD 4.000 . 7.400 4.853 4.004 5.257 . 0 0 "[ . 1 . 2 . 3]" 1
3 1 10 ASN H 1 61 LEU QD 4.000 . 7.400 4.487 3.363 5.360 . 0 0 "[ . 1 . 2 . 3]" 1
4 1 20 ARG H 1 39 LEU MD1 4.000 . 6.000 3.195 2.983 3.480 . 0 0 "[ . 1 . 2 . 3]" 1
5 1 20 ARG H 1 39 LEU MD2 3.000 . 4.500 2.289 2.126 2.449 . 0 0 "[ . 1 . 2 . 3]" 1
6 1 21 ARG H 1 23 ILE MG 4.000 . 6.500 5.331 5.195 5.450 . 0 0 "[ . 1 . 2 . 3]" 1
7 1 30 MET HB2 1 35 ILE H 4.000 . 6.000 5.565 5.096 6.109 0.109 29 0 "[ . 1 . 2 . 3]" 1
8 1 30 MET HB3 1 35 ILE H 4.000 . 6.000 4.285 3.705 5.348 . 0 0 "[ . 1 . 2 . 3]" 1
9 1 3 PRO HB2 1 4 HIS H 4.000 . 5.000 2.664 1.911 4.180 . 0 0 "[ . 1 . 2 . 3]" 1
10 1 3 PRO HB3 1 4 HIS H 4.000 . 5.000 3.818 2.772 4.652 . 0 0 "[ . 1 . 2 . 3]" 1
11 1 4 HIS QB 1 5 ILE H 4.000 . 6.000 3.906 3.590 4.071 . 0 0 "[ . 1 . 2 . 3]" 1
12 1 6 LYS HB2 1 7 ARG H 4.000 . 5.000 4.552 4.251 4.692 . 0 0 "[ . 1 . 2 . 3]" 1
13 1 6 LYS HB3 1 7 ARG H 4.000 . 5.000 4.343 4.024 4.695 . 0 0 "[ . 1 . 2 . 3]" 1
14 1 9 MET HB2 1 10 ASN H 3.000 . 3.500 2.773 1.805 3.782 0.282 15 0 "[ . 1 . 2 . 3]" 1
15 1 9 MET HB3 1 10 ASN H 3.000 . 3.500 3.331 1.803 3.969 0.469 26 0 "[ . 1 . 2 . 3]" 1
16 1 9 MET H 1 10 ASN HB2 4.000 . 5.000 5.089 4.481 5.402 0.402 28 0 "[ . 1 . 2 . 3]" 1
17 1 9 MET H 1 10 ASN HB3 4.000 . 5.000 5.150 4.900 5.366 0.366 28 0 "[ . 1 . 2 . 3]" 1
18 1 10 ASN H 1 11 ALA MB 4.000 . 6.500 5.486 5.363 5.608 . 0 0 "[ . 1 . 2 . 3]" 1
19 1 10 ASN HB2 1 11 ALA H 3.000 . 3.500 3.448 2.631 3.767 0.267 24 0 "[ . 1 . 2 . 3]" 1
20 1 10 ASN HB3 1 11 ALA H 3.000 . 3.500 3.470 2.780 3.745 0.245 6 0 "[ . 1 . 2 . 3]" 1
21 1 11 ALA MB 1 12 PHE H 3.000 . 5.000 2.808 2.607 3.094 . 0 0 "[ . 1 . 2 . 3]" 1
22 1 12 PHE HB2 1 13 MET H 4.000 . 5.000 3.702 3.460 3.795 . 0 0 "[ . 1 . 2 . 3]" 1
23 1 12 PHE HB3 1 13 MET H 4.000 . 5.000 2.255 1.921 2.399 . 0 0 "[ . 1 . 2 . 3]" 1
24 1 13 MET QB 1 14 VAL H 3.000 . 4.500 3.091 2.995 3.664 . 0 0 "[ . 1 . 2 . 3]" 1
25 1 14 VAL HB 1 15 TRP H 3.000 . 3.500 2.473 2.353 2.583 . 0 0 "[ . 1 . 2 . 3]" 1
26 1 15 TRP H 1 16 ALA MB 3.000 . 5.000 3.948 3.884 4.006 . 0 0 "[ . 1 . 2 . 3]" 1
27 1 16 ALA MB 1 17 LYS H 3.000 . 5.000 2.961 2.832 3.065 . 0 0 "[ . 1 . 2 . 3]" 1
28 1 16 ALA H 1 17 LYS QB 4.000 . 6.000 4.679 4.490 4.897 . 0 0 "[ . 1 . 2 . 3]" 1
29 1 17 LYS QB 1 18 ASP H 3.000 . 4.500 3.341 2.707 3.576 . 0 0 "[ . 1 . 2 . 3]" 1
30 1 18 ASP HB2 1 19 GLU H 4.000 . 5.000 3.459 2.818 3.868 . 0 0 "[ . 1 . 2 . 3]" 1
31 1 18 ASP HB3 1 19 GLU H 4.000 . 5.000 2.982 2.442 4.087 . 0 0 "[ . 1 . 2 . 3]" 1
32 1 20 ARG QB 1 21 ARG H 3.000 . 4.500 3.153 2.319 3.501 . 0 0 "[ . 1 . 2 . 3]" 1
33 1 21 ARG HB2 1 22 LYS H 4.000 . 5.000 3.342 2.635 4.126 . 0 0 "[ . 1 . 2 . 3]" 1
34 1 21 ARG HB3 1 22 LYS H 4.000 . 5.000 3.235 3.060 3.428 . 0 0 "[ . 1 . 2 . 3]" 1
35 1 23 ILE HB 1 24 LEU H 3.000 . 3.500 3.063 2.824 3.230 . 0 0 "[ . 1 . 2 . 3]" 1
36 1 24 LEU HB2 1 25 GLN H 3.000 . 3.500 3.631 3.527 3.752 0.252 20 0 "[ . 1 . 2 . 3]" 1
37 1 24 LEU HB3 1 25 GLN H 3.000 . 3.500 2.728 2.620 2.850 . 0 0 "[ . 1 . 2 . 3]" 1
38 1 25 GLN H 1 26 ALA MB 3.000 . 5.000 4.074 3.981 4.134 . 0 0 "[ . 1 . 2 . 3]" 1
39 1 25 GLN HB2 1 26 ALA H 3.000 . 3.500 3.664 3.623 3.705 0.205 12 0 "[ . 1 . 2 . 3]" 1
40 1 25 GLN HB3 1 26 ALA H 3.000 . 3.500 3.629 3.590 3.741 0.241 14 0 "[ . 1 . 2 . 3]" 1
41 1 26 ALA H 1 27 PHE QB 4.000 . 6.000 4.629 4.322 4.997 . 0 0 "[ . 1 . 2 . 3]" 1
42 1 26 ALA MB 1 27 PHE H 2.500 . 4.200 3.059 2.847 3.276 . 0 0 "[ . 1 . 2 . 3]" 1
43 1 28 PRO HB2 1 29 ASP H 4.000 . 5.000 3.854 3.755 3.946 . 0 0 "[ . 1 . 2 . 3]" 1
44 1 28 PRO HB3 1 29 ASP H 4.000 . 5.000 4.475 4.398 4.524 . 0 0 "[ . 1 . 2 . 3]" 1
45 1 29 ASP H 1 30 MET HB2 4.000 . 5.000 3.982 3.745 4.576 . 0 0 "[ . 1 . 2 . 3]" 1
46 1 29 ASP H 1 30 MET HB3 4.000 . 5.000 4.577 3.856 4.889 . 0 0 "[ . 1 . 2 . 3]" 1
47 1 29 ASP HB2 1 30 MET H 3.000 . 3.500 3.260 3.018 3.622 0.122 9 0 "[ . 1 . 2 . 3]" 1
48 1 29 ASP HB3 1 30 MET H 3.000 . 3.500 3.163 2.942 3.653 0.153 24 0 "[ . 1 . 2 . 3]" 1
49 1 30 MET HB2 1 31 HIS H 4.000 . 5.000 4.559 4.270 4.616 . 0 0 "[ . 1 . 2 . 3]" 1
50 1 30 MET HB3 1 31 HIS H 4.000 . 5.000 4.093 3.180 4.298 . 0 0 "[ . 1 . 2 . 3]" 1
51 1 30 MET H 1 31 HIS QB 4.000 . 6.000 5.318 4.394 5.600 . 0 0 "[ . 1 . 2 . 3]" 1
52 1 34 ASN H 1 35 ILE HB 4.000 . 5.500 4.255 3.974 4.392 . 0 0 "[ . 1 . 2 . 3]" 1
53 1 34 ASN HB2 1 35 ILE H 3.000 . 3.500 2.985 2.345 3.368 . 0 0 "[ . 1 . 2 . 3]" 1
54 1 34 ASN HB3 1 35 ILE H 3.000 . 3.500 2.801 2.355 3.405 . 0 0 "[ . 1 . 2 . 3]" 1
55 1 35 ILE HB 1 36 SER H 3.000 . 3.500 2.870 2.656 3.037 . 0 0 "[ . 1 . 2 . 3]" 1
56 1 36 SER QB 1 37 LYS H 3.000 . 4.500 2.541 2.416 2.610 . 0 0 "[ . 1 . 2 . 3]" 1
57 1 37 LYS QB 1 38 ILE H 3.000 . 4.500 3.003 2.697 3.588 . 0 0 "[ . 1 . 2 . 3]" 1
58 1 38 ILE HB 1 39 LEU H 4.000 . 5.000 2.408 2.286 2.501 . 0 0 "[ . 1 . 2 . 3]" 1
59 1 39 LEU HB2 1 40 GLY H 3.000 . 3.500 2.098 2.018 2.178 . 0 0 "[ . 1 . 2 . 3]" 1
60 1 39 LEU HB3 1 40 GLY H 3.000 . 3.500 2.933 2.737 3.175 . 0 0 "[ . 1 . 2 . 3]" 1
61 1 41 SER H 1 42 ARG HB2 4.000 . 5.000 3.751 3.663 4.678 . 0 0 "[ . 1 . 2 . 3]" 1
62 1 41 SER H 1 42 ARG HB3 4.000 . 5.000 5.277 5.219 5.415 0.415 18 0 "[ . 1 . 2 . 3]" 1
63 1 41 SER QB 1 42 ARG H 3.000 . 4.500 3.226 2.995 3.696 . 0 0 "[ . 1 . 2 . 3]" 1
64 1 42 ARG HB2 1 43 TRP H 4.000 . 5.000 2.773 2.549 2.890 . 0 0 "[ . 1 . 2 . 3]" 1
65 1 42 ARG HB3 1 43 TRP H 4.000 . 5.000 3.519 3.338 4.056 . 0 0 "[ . 1 . 2 . 3]" 1
66 1 43 TRP H 1 44 LYS QB 4.000 . 6.000 4.563 4.411 4.720 . 0 0 "[ . 1 . 2 . 3]" 1
67 1 43 TRP HB2 1 44 LYS H 3.000 . 3.500 3.482 3.443 3.508 0.008 18 0 "[ . 1 . 2 . 3]" 1
68 1 43 TRP HB3 1 44 LYS H 3.000 . 3.500 2.012 1.943 2.098 . 0 0 "[ . 1 . 2 . 3]" 1
69 1 44 LYS H 1 45 ALA MB 3.000 . 5.000 4.103 3.988 4.177 . 0 0 "[ . 1 . 2 . 3]" 1
70 1 44 LYS QB 1 45 ALA H 3.000 . 4.500 2.963 2.763 3.170 . 0 0 "[ . 1 . 2 . 3]" 1
71 1 45 ALA MB 1 46 MET H 3.000 . 5.000 3.293 2.379 3.701 . 0 0 "[ . 1 . 2 . 3]" 1
72 1 47 THR H 1 48 ASN QB 4.000 . 6.000 4.924 4.432 5.597 . 0 0 "[ . 1 . 2 . 3]" 1
73 1 48 ASN QB 1 49 LEU H 3.000 . 4.500 2.434 2.087 3.569 . 0 0 "[ . 1 . 2 . 3]" 1
74 1 49 LEU QB 1 50 GLU H 3.000 . 4.500 2.916 2.660 3.292 . 0 0 "[ . 1 . 2 . 3]" 1
75 1 50 GLU H 1 51 LYS HB2 4.000 . 6.000 4.940 4.179 6.041 0.041 4 0 "[ . 1 . 2 . 3]" 1
76 1 50 GLU H 1 51 LYS HB3 4.000 . 6.000 5.502 4.118 6.043 0.043 19 0 "[ . 1 . 2 . 3]" 1
77 1 50 GLU HB2 1 51 LYS H 4.000 . 5.000 3.734 2.530 4.436 . 0 0 "[ . 1 . 2 . 3]" 1
78 1 50 GLU HB3 1 51 LYS H 4.000 . 5.000 3.517 2.934 4.206 . 0 0 "[ . 1 . 2 . 3]" 1
79 1 51 LYS HB2 1 52 GLN H 4.000 . 5.000 3.853 2.916 4.528 . 0 0 "[ . 1 . 2 . 3]" 1
80 1 51 LYS HB3 1 52 GLN H 4.000 . 5.000 4.014 3.026 4.648 . 0 0 "[ . 1 . 2 . 3]" 1
81 1 53 PRO HB2 1 54 TYR H 4.000 . 5.000 3.110 2.784 3.514 . 0 0 "[ . 1 . 2 . 3]" 1
82 1 53 PRO HB3 1 54 TYR H 4.000 . 5.000 4.055 3.845 4.291 . 0 0 "[ . 1 . 2 . 3]" 1
83 1 54 TYR H 1 55 TYR HB2 4.000 . 6.000 4.226 3.944 4.508 . 0 0 "[ . 1 . 2 . 3]" 1
84 1 54 TYR H 1 55 TYR HB3 4.000 . 6.000 5.712 5.367 6.021 0.021 25 0 "[ . 1 . 2 . 3]" 1
85 1 55 TYR HB2 1 56 GLU H 3.000 . 3.500 2.878 2.553 3.142 . 0 0 "[ . 1 . 2 . 3]" 1
86 1 55 TYR HB3 1 56 GLU H 3.000 . 3.500 2.712 2.181 3.347 . 0 0 "[ . 1 . 2 . 3]" 1
87 1 58 GLN H 1 59 ALA MB 3.000 . 5.000 3.991 3.849 4.092 . 0 0 "[ . 1 . 2 . 3]" 1
88 1 58 GLN HB2 1 59 ALA H 3.000 . 3.500 3.678 2.240 3.852 0.352 26 0 "[ . 1 . 2 . 3]" 1
89 1 58 GLN HB3 1 59 ALA H 3.000 . 3.500 3.002 2.147 3.685 0.185 20 0 "[ . 1 . 2 . 3]" 1
90 1 60 ARG H 1 61 LEU QB 4.000 . 6.000 4.967 4.729 5.131 . 0 0 "[ . 1 . 2 . 3]" 1
91 1 62 SER H 1 63 LYS QB 3.000 . 4.500 4.091 3.944 4.182 . 0 0 "[ . 1 . 2 . 3]" 1
92 1 62 SER QB 1 63 LYS H 3.000 . 4.500 2.811 2.157 3.413 . 0 0 "[ . 1 . 2 . 3]" 1
93 1 64 GLN H 1 65 HIS HB2 4.000 . 6.000 4.836 4.457 5.185 . 0 0 "[ . 1 . 2 . 3]" 1
94 1 64 GLN H 1 65 HIS HB3 4.000 . 6.000 4.847 4.629 5.083 . 0 0 "[ . 1 . 2 . 3]" 1
95 1 65 HIS HB2 1 66 LEU H 3.000 . 3.500 3.544 3.447 3.604 0.104 1 0 "[ . 1 . 2 . 3]" 1
96 1 65 HIS HB3 1 66 LEU H 3.000 . 3.500 2.042 1.869 2.287 . 0 0 "[ . 1 . 2 . 3]" 1
97 1 67 GLU QB 1 68 LYS H 3.000 . 3.500 3.174 2.817 3.510 0.010 1 0 "[ . 1 . 2 . 3]" 1
98 1 68 LYS HB2 1 69 TYR H 3.000 . 3.500 2.637 2.144 3.704 0.204 19 0 "[ . 1 . 2 . 3]" 1
99 1 68 LYS HB3 1 69 TYR H 3.000 . 3.500 3.289 2.698 3.589 0.089 19 0 "[ . 1 . 2 . 3]" 1
100 1 70 PRO HB2 1 71 ASP H 3.000 . 3.500 2.282 1.826 2.712 . 0 0 "[ . 1 . 2 . 3]" 1
101 1 70 PRO HB3 1 71 ASP H 3.000 . 3.500 3.549 3.347 3.750 0.250 23 0 "[ . 1 . 2 . 3]" 1
102 1 71 ASP H 1 72 TYR QB 4.000 . 6.000 4.964 3.995 5.415 . 0 0 "[ . 1 . 2 . 3]" 1
103 1 12 PHE HB2 1 14 VAL H 4.000 . 5.000 5.039 4.873 5.085 0.085 10 0 "[ . 1 . 2 . 3]" 1
104 1 12 PHE HB3 1 14 VAL H 4.000 . 5.000 4.161 3.987 4.250 . 0 0 "[ . 1 . 2 . 3]" 1
105 1 14 VAL H 1 16 ALA MB 4.000 . 6.500 4.211 4.105 4.273 . 0 0 "[ . 1 . 2 . 3]" 1
106 1 16 ALA MB 1 18 ASP H 4.000 . 6.500 4.462 4.360 4.650 . 0 0 "[ . 1 . 2 . 3]" 1
107 1 17 LYS QB 1 19 GLU H 4.000 . 6.000 4.947 4.476 5.219 . 0 0 "[ . 1 . 2 . 3]" 1
108 1 28 PRO HB2 1 30 MET H 4.000 . 6.000 5.574 5.466 5.663 . 0 0 "[ . 1 . 2 . 3]" 1
109 1 28 PRO HB3 1 30 MET H 4.000 . 6.000 6.027 5.878 6.114 0.114 12 0 "[ . 1 . 2 . 3]" 1
110 1 27 PHE QB 1 29 ASP H 4.000 . 6.000 3.428 3.340 3.639 . 0 0 "[ . 1 . 2 . 3]" 1
111 1 35 ILE HB 1 37 LYS H 4.000 . 6.000 5.362 5.068 5.566 . 0 0 "[ . 1 . 2 . 3]" 1
112 1 36 SER QB 1 38 ILE H 3.000 . 4.500 4.249 4.200 4.281 . 0 0 "[ . 1 . 2 . 3]" 1
113 1 38 ILE HB 1 40 GLY H 4.000 . 5.000 5.098 5.043 5.164 0.164 19 0 "[ . 1 . 2 . 3]" 1
114 1 39 LEU HB2 1 41 SER H 4.000 . 4.500 4.325 4.280 4.379 . 0 0 "[ . 1 . 2 . 3]" 1
115 1 39 LEU HB3 1 41 SER H 4.000 . 4.500 4.682 4.618 4.754 0.254 5 0 "[ . 1 . 2 . 3]" 1
116 1 43 TRP H 1 45 ALA MB 4.000 . 6.500 3.998 3.815 4.161 . 0 0 "[ . 1 . 2 . 3]" 1
117 1 43 TRP HB2 1 45 ALA H 4.000 . 5.000 5.009 4.964 5.093 0.093 12 0 "[ . 1 . 2 . 3]" 1
118 1 43 TRP HB3 1 45 ALA H 4.000 . 5.000 4.138 4.083 4.206 . 0 0 "[ . 1 . 2 . 3]" 1
119 1 53 PRO HB2 1 55 TYR H 4.000 . 5.000 4.675 4.567 4.796 . 0 0 "[ . 1 . 2 . 3]" 1
120 1 53 PRO HB3 1 55 TYR H 4.000 . 5.000 5.219 5.166 5.276 0.276 19 0 "[ . 1 . 2 . 3]" 1
121 1 55 TYR HB2 1 57 GLU H 4.000 . 6.000 5.004 4.479 5.650 . 0 0 "[ . 1 . 2 . 3]" 1
122 1 55 TYR HB3 1 57 GLU H 4.000 . 6.000 4.962 4.462 5.732 . 0 0 "[ . 1 . 2 . 3]" 1
123 1 56 GLU H 1 59 ALA MB 4.000 . 6.500 5.086 4.635 5.353 . 0 0 "[ . 1 . 2 . 3]" 1
124 1 57 GLU H 1 59 ALA MB 4.000 . 6.500 5.097 4.606 5.291 . 0 0 "[ . 1 . 2 . 3]" 1
125 1 62 SER QB 1 64 GLN H 4.000 . 6.000 4.912 4.294 5.374 . 0 0 "[ . 1 . 2 . 3]" 1
126 1 69 TYR QB 1 71 ASP H 4.000 . 6.000 5.296 4.656 5.534 . 0 0 "[ . 1 . 2 . 3]" 1
127 1 12 PHE H 1 15 TRP QB 4.000 . 6.500 4.560 4.509 4.616 . 0 0 "[ . 1 . 2 . 3]" 1
128 1 12 PHE HB2 1 15 TRP H 4.000 . 5.000 5.287 5.229 5.346 0.346 26 0 "[ . 1 . 2 . 3]" 1
129 1 12 PHE HB3 1 15 TRP H 4.000 . 5.000 5.174 5.129 5.201 0.201 10 0 "[ . 1 . 2 . 3]" 1
130 1 13 MET H 1 16 ALA MB 4.000 . 6.500 4.039 3.944 4.104 . 0 0 "[ . 1 . 2 . 3]" 1
131 1 13 MET QB 1 16 ALA H 4.000 . 6.000 4.995 4.935 5.061 . 0 0 "[ . 1 . 2 . 3]" 1
132 1 16 ALA MB 1 19 GLU H 4.000 . 6.500 4.243 4.165 4.497 . 0 0 "[ . 1 . 2 . 3]" 1
133 1 24 LEU HB2 1 27 PHE H 4.000 . 5.000 5.050 4.997 5.104 0.104 6 0 "[ . 1 . 2 . 3]" 1
134 1 24 LEU HB3 1 27 PHE H 4.000 . 5.000 4.702 4.626 4.807 . 0 0 "[ . 1 . 2 . 3]" 1
135 1 27 PHE QB 1 30 MET H 3.000 . 4.500 2.672 2.584 2.775 . 0 0 "[ . 1 . 2 . 3]" 1
136 1 27 PHE H 1 30 MET HB2 4.000 . 6.000 5.418 4.925 6.081 0.081 29 0 "[ . 1 . 2 . 3]" 1
137 1 27 PHE H 1 30 MET HB3 4.000 . 6.000 5.351 4.871 5.738 . 0 0 "[ . 1 . 2 . 3]" 1
138 1 36 SER QB 1 39 LEU H 4.000 . 6.000 4.974 4.804 5.068 . 0 0 "[ . 1 . 2 . 3]" 1
139 1 41 SER H 1 45 ALA MB 4.000 . 6.500 5.308 5.244 5.398 . 0 0 "[ . 1 . 2 . 3]" 1
140 1 53 PRO HB2 1 56 GLU H 4.000 . 6.000 5.589 5.011 5.895 . 0 0 "[ . 1 . 2 . 3]" 1
141 1 53 PRO HB3 1 56 GLU H 4.000 . 6.000 5.734 5.320 5.991 . 0 0 "[ . 1 . 2 . 3]" 1
142 1 12 PHE H 1 16 ALA MB 4.000 . 6.500 5.328 5.287 5.374 . 0 0 "[ . 1 . 2 . 3]" 1
143 1 3 PRO HG3 1 4 HIS H 4.000 . 5.000 4.398 3.975 5.285 0.285 9 0 "[ . 1 . 2 . 3]" 1
144 1 3 PRO HG2 1 4 HIS H 4.000 . 5.000 3.437 2.722 5.046 0.046 10 0 "[ . 1 . 2 . 3]" 1
145 1 9 MET HG3 1 10 ASN H 4.000 . 5.000 4.600 3.064 5.090 0.090 26 0 "[ . 1 . 2 . 3]" 1
146 1 9 MET HG2 1 10 ASN H 4.000 . 5.000 4.742 4.168 5.079 0.079 24 0 "[ . 1 . 2 . 3]" 1
147 1 13 MET HG3 1 14 VAL H 4.000 . 5.000 4.595 2.275 5.078 0.078 24 0 "[ . 1 . 2 . 3]" 1
148 1 13 MET HG2 1 14 VAL H 4.000 . 5.000 4.612 3.205 5.021 0.021 30 0 "[ . 1 . 2 . 3]" 1
149 1 17 LYS HG3 1 18 ASP H 4.000 . 5.000 2.762 1.828 5.052 0.052 15 0 "[ . 1 . 2 . 3]" 1
150 1 17 LYS HG2 1 18 ASP H 4.000 . 5.000 3.539 2.083 4.962 . 0 0 "[ . 1 . 2 . 3]" 1
151 1 19 GLU HG3 1 20 ARG H 4.000 . 5.000 5.134 4.975 5.174 0.174 17 0 "[ . 1 . 2 . 3]" 1
152 1 19 GLU HG2 1 20 ARG H 4.000 . 5.000 4.845 4.796 5.129 0.129 23 0 "[ . 1 . 2 . 3]" 1
153 1 22 LYS HG3 1 23 ILE H 4.000 . 5.000 4.548 2.361 5.068 0.068 15 0 "[ . 1 . 2 . 3]" 1
154 1 22 LYS HG2 1 23 ILE H 4.000 . 5.000 4.635 3.593 5.130 0.130 12 0 "[ . 1 . 2 . 3]" 1
155 1 24 LEU HG 1 25 GLN H 4.000 . 5.000 4.332 4.013 4.545 . 0 0 "[ . 1 . 2 . 3]" 1
156 1 25 GLN HG3 1 26 ALA H 3.000 . 3.500 2.172 1.969 2.299 . 0 0 "[ . 1 . 2 . 3]" 1
157 1 25 GLN HG2 1 26 ALA H 3.000 . 3.500 1.903 1.825 2.268 . 0 0 "[ . 1 . 2 . 3]" 1
158 1 28 PRO QG 1 29 ASP H 3.000 . 4.500 3.312 3.157 3.482 . 0 0 "[ . 1 . 2 . 3]" 1
159 1 27 PHE H 1 28 PRO QG 4.000 . 6.000 4.526 4.318 4.718 . 0 0 "[ . 1 . 2 . 3]" 1
160 1 37 LYS HG3 1 38 ILE H 4.000 . 5.000 3.936 1.989 5.008 0.008 10 0 "[ . 1 . 2 . 3]" 1
161 1 37 LYS HG2 1 38 ILE H 4.000 . 5.000 4.011 1.905 5.070 0.070 14 0 "[ . 1 . 2 . 3]" 1
162 1 39 LEU HG 1 40 GLY H 4.000 . 5.000 4.212 4.084 4.317 . 0 0 "[ . 1 . 2 . 3]" 1
163 1 41 SER H 1 42 ARG HG3 4.000 . 6.000 4.623 3.247 4.973 . 0 0 "[ . 1 . 2 . 3]" 1
164 1 41 SER H 1 42 ARG HG2 4.000 . 6.000 4.541 3.506 5.129 . 0 0 "[ . 1 . 2 . 3]" 1
165 1 44 LYS HG3 1 45 ALA H 4.000 . 5.000 4.779 4.242 5.094 0.094 16 0 "[ . 1 . 2 . 3]" 1
166 1 44 LYS HG2 1 45 ALA H 4.000 . 5.000 4.893 4.522 5.175 0.175 12 0 "[ . 1 . 2 . 3]" 1
167 1 45 ALA H 1 46 MET HG3 4.000 . 5.000 4.562 3.379 5.385 0.385 20 0 "[ . 1 . 2 . 3]" 1
168 1 45 ALA H 1 46 MET HG2 4.000 . 5.000 4.394 3.577 5.037 0.037 25 0 "[ . 1 . 2 . 3]" 1
169 1 51 LYS H 1 52 GLN QG 4.000 . 6.000 4.023 3.292 5.421 . 0 0 "[ . 1 . 2 . 3]" 1
170 1 56 GLU HG3 1 57 GLU H 4.000 . 5.000 3.069 1.828 5.036 0.036 5 0 "[ . 1 . 2 . 3]" 1
171 1 56 GLU HG2 1 57 GLU H 4.000 . 5.000 3.659 2.047 5.013 0.013 27 0 "[ . 1 . 2 . 3]" 1
172 1 58 GLN HG3 1 59 ALA H 4.000 . 5.000 2.692 1.661 4.687 0.139 16 0 "[ . 1 . 2 . 3]" 1
173 1 58 GLN HG2 1 59 ALA H 4.000 . 5.000 2.600 1.780 4.407 0.020 30 0 "[ . 1 . 2 . 3]" 1
174 1 59 ALA H 1 60 ARG QG 4.000 . 6.000 4.607 3.729 5.309 . 0 0 "[ . 1 . 2 . 3]" 1
175 1 60 ARG H 1 61 LEU HG 3.000 . 3.500 3.589 3.521 3.702 0.202 30 0 "[ . 1 . 2 . 3]" 1
176 1 67 GLU HG3 1 68 LYS H 4.000 . 5.000 4.409 1.895 5.109 0.109 4 0 "[ . 1 . 2 . 3]" 1
177 1 67 GLU HG2 1 68 LYS H 4.000 . 5.000 4.569 2.654 5.146 0.146 4 0 "[ . 1 . 2 . 3]" 1
178 1 68 LYS HG3 1 69 TYR H 4.000 . 5.000 4.590 2.127 5.100 0.100 22 0 "[ . 1 . 2 . 3]" 1
179 1 68 LYS HG2 1 69 TYR H 4.000 . 5.000 4.588 1.899 4.908 . 0 0 "[ . 1 . 2 . 3]" 1
180 1 70 PRO QG 1 71 ASP H 3.000 . 4.500 1.928 1.863 2.086 . 0 0 "[ . 1 . 2 . 3]" 1
181 1 52 GLN QG 1 54 TYR H 4.000 . 6.000 5.240 4.384 5.554 . 0 0 "[ . 1 . 2 . 3]" 1
182 1 4 HIS HA 1 5 ILE H 2.500 . 2.700 2.531 2.220 2.831 0.131 8 0 "[ . 1 . 2 . 3]" 1
183 1 5 ILE HA 1 6 LYS H 2.500 . 2.700 2.482 2.166 2.779 0.079 28 0 "[ . 1 . 2 . 3]" 1
184 1 6 LYS HA 1 7 ARG H 2.500 . 2.700 2.562 2.314 2.924 0.224 7 0 "[ . 1 . 2 . 3]" 1
185 1 5 ILE H 1 6 LYS HA 4.000 . 5.000 4.732 4.116 5.042 0.042 15 0 "[ . 1 . 2 . 3]" 1
186 1 9 MET H 1 10 ASN HA 4.000 . 5.000 4.904 4.308 5.198 0.198 24 0 "[ . 1 . 2 . 3]" 1
187 1 11 ALA H 1 12 PHE HA 4.000 . 5.000 5.200 5.087 5.355 0.355 27 0 "[ . 1 . 2 . 3]" 1
188 1 11 ALA HA 1 12 PHE H 3.000 . 3.500 3.445 3.361 3.493 . 0 0 "[ . 1 . 2 . 3]" 1
189 1 12 PHE HA 1 13 MET H 3.000 . 3.500 3.572 3.556 3.581 0.081 10 0 "[ . 1 . 2 . 3]" 1
190 1 13 MET H 1 14 VAL HA 4.000 . 5.000 5.139 5.100 5.193 0.193 22 0 "[ . 1 . 2 . 3]" 1
191 1 13 MET HA 1 14 VAL H 3.000 . 3.500 3.409 3.382 3.432 . 0 0 "[ . 1 . 2 . 3]" 1
192 1 14 VAL HA 1 15 TRP H 3.000 . 3.500 3.522 3.512 3.535 0.035 5 0 "[ . 1 . 2 . 3]" 1
193 1 15 TRP HA 1 16 ALA H 3.000 . 3.500 3.466 3.423 3.491 . 0 0 "[ . 1 . 2 . 3]" 1
194 1 16 ALA HA 1 17 LYS H 3.000 . 3.500 3.493 3.443 3.535 0.035 5 0 "[ . 1 . 2 . 3]" 1
195 1 17 LYS H 1 18 ASP HA 4.000 . 5.000 5.199 5.104 5.263 0.263 28 0 "[ . 1 . 2 . 3]" 1
196 1 17 LYS HA 1 18 ASP H 3.000 . 3.500 3.467 3.402 3.511 0.011 28 0 "[ . 1 . 2 . 3]" 1
197 1 19 GLU HA 1 20 ARG H 3.000 . 3.500 3.514 3.475 3.543 0.043 11 0 "[ . 1 . 2 . 3]" 1
198 1 20 ARG H 1 21 ARG HA 4.000 . 5.000 5.069 5.018 5.209 0.209 13 0 "[ . 1 . 2 . 3]" 1
199 1 20 ARG HA 1 21 ARG H 3.000 . 3.500 3.497 3.474 3.517 0.017 22 0 "[ . 1 . 2 . 3]" 1
200 1 21 ARG HA 1 22 LYS H 3.000 . 3.500 3.509 3.486 3.538 0.038 6 0 "[ . 1 . 2 . 3]" 1
201 1 21 ARG H 1 22 LYS HA 4.000 . 5.000 5.107 5.051 5.168 0.168 28 0 "[ . 1 . 2 . 3]" 1
202 1 22 LYS HA 1 23 ILE H 3.000 . 3.500 3.432 3.374 3.462 . 0 0 "[ . 1 . 2 . 3]" 1
203 1 23 ILE H 1 24 LEU HA 4.000 . 5.000 4.937 4.850 4.995 . 0 0 "[ . 1 . 2 . 3]" 1
204 1 23 ILE HA 1 24 LEU H 3.000 . 3.500 3.519 3.464 3.539 0.039 28 0 "[ . 1 . 2 . 3]" 1
205 1 24 LEU HA 1 25 GLN H 3.000 . 3.500 3.467 3.430 3.496 . 0 0 "[ . 1 . 2 . 3]" 1
206 1 25 GLN HA 1 26 ALA H 3.000 . 3.500 3.405 3.395 3.430 . 0 0 "[ . 1 . 2 . 3]" 1
207 1 26 ALA H 1 27 PHE HA 4.000 . 5.000 5.037 5.006 5.080 0.080 20 0 "[ . 1 . 2 . 3]" 1
208 1 26 ALA HA 1 27 PHE H 3.000 . 3.500 3.392 3.285 3.460 . 0 0 "[ . 1 . 2 . 3]" 1
209 1 27 PHE H 1 28 PRO HA 4.000 . 5.000 4.181 4.118 4.275 . 0 0 "[ . 1 . 2 . 3]" 1
210 1 28 PRO HA 1 29 ASP H 3.000 . 3.500 3.350 3.305 3.383 . 0 0 "[ . 1 . 2 . 3]" 1
211 1 29 ASP HA 1 30 MET H 3.000 . 3.500 3.468 3.425 3.497 . 0 0 "[ . 1 . 2 . 3]" 1
212 1 30 MET H 1 31 HIS HA 4.000 . 5.000 5.101 5.065 5.210 0.210 30 0 "[ . 1 . 2 . 3]" 1
213 1 30 MET HA 1 31 HIS H 3.000 . 3.500 2.307 1.944 3.377 . 0 0 "[ . 1 . 2 . 3]" 1
214 1 34 ASN HA 1 35 ILE H 3.000 . 3.500 3.564 3.542 3.584 0.084 10 0 "[ . 1 . 2 . 3]" 1
215 1 34 ASN H 1 35 ILE HA 4.000 . 5.000 4.974 4.752 5.070 0.070 6 0 "[ . 1 . 2 . 3]" 1
216 1 35 ILE HA 1 36 SER H 3.000 . 3.500 3.481 3.438 3.530 0.030 29 0 "[ . 1 . 2 . 3]" 1
217 1 37 LYS H 1 38 ILE HA 4.000 . 5.000 5.075 5.009 5.118 0.118 4 0 "[ . 1 . 2 . 3]" 1
218 1 37 LYS HA 1 38 ILE H 3.000 . 3.500 3.443 3.425 3.470 . 0 0 "[ . 1 . 2 . 3]" 1
219 1 38 ILE HA 1 39 LEU H 3.000 . 3.500 3.532 3.520 3.549 0.049 18 0 "[ . 1 . 2 . 3]" 1
220 1 39 LEU HA 1 40 GLY H 3.000 . 3.500 3.549 3.538 3.558 0.058 16 0 "[ . 1 . 2 . 3]" 1
221 1 39 LEU H 1 40 GLY QA 4.000 . 6.000 4.698 4.615 4.792 . 0 0 "[ . 1 . 2 . 3]" 1
222 1 40 GLY QA 1 41 SER H 3.000 . 4.500 2.906 2.890 2.950 . 0 0 "[ . 1 . 2 . 3]" 1
223 1 41 SER HA 1 42 ARG H 3.000 . 3.500 3.392 3.370 3.422 . 0 0 "[ . 1 . 2 . 3]" 1
224 1 42 ARG HA 1 43 TRP H 3.000 . 3.500 3.440 3.416 3.470 . 0 0 "[ . 1 . 2 . 3]" 1
225 1 43 TRP HA 1 44 LYS H 3.000 . 3.500 3.570 3.558 3.583 0.083 30 0 "[ . 1 . 2 . 3]" 1
226 1 44 LYS HA 1 45 ALA H 3.000 . 3.500 3.409 3.337 3.434 . 0 0 "[ . 1 . 2 . 3]" 1
227 1 44 LYS H 1 45 ALA HA 4.000 . 5.000 5.144 5.119 5.176 0.176 16 0 "[ . 1 . 2 . 3]" 1
228 1 48 ASN HA 1 49 LEU H 3.000 . 3.500 3.562 3.516 3.583 0.083 7 0 "[ . 1 . 2 . 3]" 1
229 1 49 LEU HA 1 50 GLU H 3.000 . 3.500 3.471 3.362 3.542 0.042 17 0 "[ . 1 . 2 . 3]" 1
230 1 50 GLU HA 1 51 LYS H 4.000 . 5.000 3.378 3.075 3.569 . 0 0 "[ . 1 . 2 . 3]" 1
231 1 51 LYS H 1 52 GLN HA 4.000 . 5.000 4.912 4.813 5.040 0.040 29 0 "[ . 1 . 2 . 3]" 1
232 1 51 LYS HA 1 52 GLN H 3.000 . 3.500 3.300 2.877 3.488 . 0 0 "[ . 1 . 2 . 3]" 1
233 1 53 PRO HA 1 54 TYR H 4.000 . 5.000 3.567 3.486 3.614 . 0 0 "[ . 1 . 2 . 3]" 1
234 1 54 TYR HA 1 55 TYR H 3.000 . 3.500 3.347 3.254 3.394 . 0 0 "[ . 1 . 2 . 3]" 1
235 1 54 TYR H 1 55 TYR HA 4.000 . 5.000 5.049 4.860 5.155 0.155 25 0 "[ . 1 . 2 . 3]" 1
236 1 55 TYR HA 1 56 GLU H 3.000 . 3.500 3.561 3.504 3.579 0.079 27 0 "[ . 1 . 2 . 3]" 1
237 1 56 GLU HA 1 57 GLU H 3.000 . 3.500 3.521 3.458 3.571 0.071 29 0 "[ . 1 . 2 . 3]" 1
238 1 57 GLU HA 1 58 GLN H 3.000 . 3.500 3.417 3.356 3.467 . 0 0 "[ . 1 . 2 . 3]" 1
239 1 58 GLN HA 1 59 ALA H 3.000 . 3.500 3.515 3.450 3.539 0.039 6 0 "[ . 1 . 2 . 3]" 1
240 1 59 ALA HA 1 60 ARG H 3.000 . 3.500 3.513 3.471 3.557 0.057 17 0 "[ . 1 . 2 . 3]" 1
241 1 60 ARG HA 1 61 LEU H 3.000 . 3.500 3.549 3.501 3.580 0.080 25 0 "[ . 1 . 2 . 3]" 1
242 1 61 LEU HA 1 62 SER H 3.000 . 3.500 3.450 3.349 3.517 0.017 30 0 "[ . 1 . 2 . 3]" 1
243 1 62 SER HA 1 63 LYS H 3.000 . 3.500 3.502 3.451 3.539 0.039 24 0 "[ . 1 . 2 . 3]" 1
244 1 63 LYS HA 1 64 GLN H 3.000 . 3.500 3.552 3.495 3.572 0.072 22 0 "[ . 1 . 2 . 3]" 1
245 1 65 HIS HA 1 66 LEU H 3.000 . 3.500 3.564 3.548 3.579 0.079 27 0 "[ . 1 . 2 . 3]" 1
246 1 66 LEU HA 1 67 GLU H 3.000 . 3.500 3.532 3.463 3.562 0.062 30 0 "[ . 1 . 2 . 3]" 1
247 1 67 GLU HA 1 68 LYS H 3.000 . 3.500 3.409 3.334 3.454 . 0 0 "[ . 1 . 2 . 3]" 1
248 1 68 LYS HA 1 69 TYR H 3.000 . 3.500 3.556 3.499 3.611 0.111 23 0 "[ . 1 . 2 . 3]" 1
249 1 70 PRO HA 1 71 ASP H 3.000 . 3.500 3.525 3.480 3.545 0.045 18 0 "[ . 1 . 2 . 3]" 1
250 1 71 ASP HA 1 72 TYR H 2.500 . 3.000 2.873 2.550 3.375 0.375 16 0 "[ . 1 . 2 . 3]" 1
251 1 5 ILE HA 1 7 ARG H 4.000 . 5.000 4.326 3.483 5.047 0.047 15 0 "[ . 1 . 2 . 3]" 1
252 1 11 ALA HA 1 13 MET H 4.000 . 5.000 5.036 4.761 5.181 0.181 28 0 "[ . 1 . 2 . 3]" 1
253 1 13 MET HA 1 15 TRP H 4.000 . 5.000 4.568 4.479 4.648 . 0 0 "[ . 1 . 2 . 3]" 1
254 1 14 VAL HA 1 16 ALA H 4.000 . 5.000 4.448 4.283 4.590 . 0 0 "[ . 1 . 2 . 3]" 1
255 1 17 LYS HA 1 19 GLU H 4.000 . 5.000 4.464 4.279 4.712 . 0 0 "[ . 1 . 2 . 3]" 1
256 1 18 ASP HA 1 20 ARG H 4.000 . 5.000 4.096 3.920 4.275 . 0 0 "[ . 1 . 2 . 3]" 1
257 1 19 GLU HA 1 21 ARG H 4.000 . 5.000 4.368 4.246 4.533 . 0 0 "[ . 1 . 2 . 3]" 1
258 1 20 ARG HA 1 22 LYS H 4.000 . 5.000 4.242 4.043 4.459 . 0 0 "[ . 1 . 2 . 3]" 1
259 1 22 LYS HA 1 24 LEU H 4.000 . 5.000 4.838 4.451 5.012 0.012 9 0 "[ . 1 . 2 . 3]" 1
260 1 23 ILE HA 1 25 GLN H 3.000 . 3.500 3.775 3.730 3.803 0.303 21 0 "[ . 1 . 2 . 3]" 1
261 1 24 LEU HA 1 26 ALA H 4.000 . 5.000 4.060 3.961 4.166 . 0 0 "[ . 1 . 2 . 3]" 1
262 1 25 GLN HA 1 27 PHE H 4.000 . 5.000 3.946 3.819 4.159 . 0 0 "[ . 1 . 2 . 3]" 1
263 1 28 PRO HA 1 30 MET H 4.000 . 5.000 4.323 4.086 4.538 . 0 0 "[ . 1 . 2 . 3]" 1
264 1 34 ASN HA 1 36 SER H 4.000 . 5.000 3.877 3.540 4.198 . 0 0 "[ . 1 . 2 . 3]" 1
265 1 35 ILE HA 1 37 LYS H 4.000 . 5.000 4.264 4.072 4.496 . 0 0 "[ . 1 . 2 . 3]" 1
266 1 36 SER HA 1 38 ILE H 4.000 . 5.000 4.063 4.003 4.196 . 0 0 "[ . 1 . 2 . 3]" 1
267 1 37 LYS HA 1 39 LEU H 4.000 . 5.000 4.756 4.462 4.986 . 0 0 "[ . 1 . 2 . 3]" 1
268 1 38 ILE HA 1 40 GLY H 4.000 . 5.000 4.974 4.822 5.073 0.073 24 0 "[ . 1 . 2 . 3]" 1
269 1 39 LEU HA 1 41 SER H 4.000 . 5.000 3.731 3.599 3.825 . 0 0 "[ . 1 . 2 . 3]" 1
270 1 40 GLY QA 1 42 ARG H 4.000 . 6.000 3.737 3.689 3.783 . 0 0 "[ . 1 . 2 . 3]" 1
271 1 41 SER HA 1 43 TRP H 4.000 . 5.000 4.061 3.895 4.266 . 0 0 "[ . 1 . 2 . 3]" 1
272 1 43 TRP HA 1 45 ALA H 4.000 . 5.000 3.831 3.669 4.041 . 0 0 "[ . 1 . 2 . 3]" 1
273 1 44 LYS HA 1 46 MET H 4.000 . 5.000 3.587 3.319 4.849 . 0 0 "[ . 1 . 2 . 3]" 1
274 1 54 TYR HA 1 56 GLU H 4.000 . 5.000 4.717 4.071 5.062 0.062 2 0 "[ . 1 . 2 . 3]" 1
275 1 55 TYR HA 1 57 GLU H 4.000 . 5.000 4.357 3.913 4.842 . 0 0 "[ . 1 . 2 . 3]" 1
276 1 56 GLU HA 1 58 GLN H 3.000 . 3.500 3.600 3.546 3.707 0.207 20 0 "[ . 1 . 2 . 3]" 1
277 1 57 GLU HA 1 59 ALA H 4.000 . 5.000 4.791 4.278 5.050 0.050 4 0 "[ . 1 . 2 . 3]" 1
278 1 58 GLN HA 1 60 ARG H 4.000 . 5.000 3.975 3.744 4.178 . 0 0 "[ . 1 . 2 . 3]" 1
279 1 59 ALA HA 1 61 LEU H 4.000 . 5.000 4.775 4.119 5.045 0.045 21 0 "[ . 1 . 2 . 3]" 1
280 1 61 LEU HA 1 63 LYS H 4.000 . 5.000 4.210 3.884 4.624 . 0 0 "[ . 1 . 2 . 3]" 1
281 1 62 SER HA 1 64 GLN H 4.000 . 5.000 4.529 4.120 4.926 . 0 0 "[ . 1 . 2 . 3]" 1
282 1 65 HIS HA 1 67 GLU H 4.000 . 5.000 4.433 4.014 5.010 0.010 16 0 "[ . 1 . 2 . 3]" 1
283 1 66 LEU HA 1 68 LYS H 3.000 . 3.500 3.583 3.444 3.732 0.232 16 0 "[ . 1 . 2 . 3]" 1
284 1 67 GLU HA 1 69 TYR H 4.000 . 5.000 4.740 4.208 5.096 0.096 8 0 "[ . 1 . 2 . 3]" 1
285 1 11 ALA HA 1 14 VAL H 3.000 . 3.500 3.459 3.264 3.558 0.058 24 0 "[ . 1 . 2 . 3]" 1
286 1 13 MET HA 1 16 ALA H 3.000 . 3.500 3.508 3.372 3.556 0.056 29 0 "[ . 1 . 2 . 3]" 1
287 1 14 VAL HA 1 17 LYS H 3.000 . 3.500 3.712 3.646 3.797 0.297 12 0 "[ . 1 . 2 . 3]" 1
288 1 17 LYS HA 1 20 ARG H 3.000 . 3.500 3.594 3.517 3.674 0.174 27 0 "[ . 1 . 2 . 3]" 1
289 1 18 ASP HA 1 21 ARG H 3.000 . 3.500 3.096 2.951 3.233 . 0 0 "[ . 1 . 2 . 3]" 1
290 1 19 GLU HA 1 22 LYS H 3.000 . 3.500 3.243 3.033 3.427 . 0 0 "[ . 1 . 2 . 3]" 1
291 1 20 ARG HA 1 23 ILE H 3.000 . 3.500 3.140 2.910 3.478 . 0 0 "[ . 1 . 2 . 3]" 1
292 1 21 ARG HA 1 24 LEU H 3.000 . 3.500 3.477 3.322 3.559 0.059 15 0 "[ . 1 . 2 . 3]" 1
293 1 23 ILE HA 1 26 ALA H 3.000 . 3.500 3.082 2.941 3.328 . 0 0 "[ . 1 . 2 . 3]" 1
294 1 24 LEU HA 1 27 PHE H 3.000 . 3.500 2.797 2.682 2.889 . 0 0 "[ . 1 . 2 . 3]" 1
295 1 34 ASN HA 1 37 LYS H 3.000 . 3.500 3.503 3.326 3.595 0.095 1 0 "[ . 1 . 2 . 3]" 1
296 1 35 ILE HA 1 38 ILE H 3.000 . 3.500 3.030 2.853 3.256 . 0 0 "[ . 1 . 2 . 3]" 1
297 1 36 SER HA 1 39 LEU H 3.000 . 3.500 3.512 3.319 3.583 0.083 18 0 "[ . 1 . 2 . 3]" 1
298 1 37 LYS HA 1 40 GLY H 4.000 . 5.000 3.846 3.507 4.089 . 0 0 "[ . 1 . 2 . 3]" 1
299 1 38 ILE HA 1 41 SER H 4.000 . 5.000 3.624 3.513 3.739 . 0 0 "[ . 1 . 2 . 3]" 1
300 1 39 LEU HA 1 42 ARG H 3.000 . 3.500 3.074 2.955 3.190 . 0 0 "[ . 1 . 2 . 3]" 1
301 1 40 GLY QA 1 43 TRP H 4.000 . 6.000 3.281 3.192 3.403 . 0 0 "[ . 1 . 2 . 3]" 1
302 1 41 SER HA 1 44 LYS H 3.000 . 3.500 3.519 3.393 3.567 0.067 9 0 "[ . 1 . 2 . 3]" 1
303 1 51 LYS HA 1 54 TYR H 4.000 . 5.000 3.328 2.922 3.782 . 0 0 "[ . 1 . 2 . 3]" 1
304 1 53 PRO HA 1 56 GLU H 4.000 . 5.000 3.520 3.173 3.774 . 0 0 "[ . 1 . 2 . 3]" 1
305 1 54 TYR HA 1 57 GLU H 3.000 . 3.500 3.525 3.313 3.709 0.209 20 0 "[ . 1 . 2 . 3]" 1
306 1 55 TYR HA 1 58 GLN H 4.000 . 5.000 3.656 3.409 4.006 . 0 0 "[ . 1 . 2 . 3]" 1
307 1 57 GLU HA 1 60 ARG H 3.000 . 3.500 3.519 3.315 3.736 0.236 20 0 "[ . 1 . 2 . 3]" 1
308 1 59 ALA HA 1 62 SER H 3.000 . 3.500 3.469 3.283 3.607 0.107 22 0 "[ . 1 . 2 . 3]" 1
309 1 61 LEU HA 1 64 GLN H 3.000 . 3.500 3.393 3.040 3.593 0.093 8 0 "[ . 1 . 2 . 3]" 1
310 1 65 HIS HA 1 68 LYS H 4.000 . 5.000 3.676 3.373 4.258 . 0 0 "[ . 1 . 2 . 3]" 1
311 1 66 LEU HA 1 69 TYR H 3.000 . 3.500 3.264 2.592 3.697 0.197 23 0 "[ . 1 . 2 . 3]" 1
312 1 11 ALA HA 1 15 TRP H 3.000 . 3.500 3.538 3.405 3.634 0.134 29 0 "[ . 1 . 2 . 3]" 1
313 1 13 MET HA 1 17 LYS H 4.000 . 5.000 3.768 3.517 3.990 . 0 0 "[ . 1 . 2 . 3]" 1
314 1 15 TRP HA 1 19 GLU H 4.000 . 5.000 4.388 4.191 4.635 . 0 0 "[ . 1 . 2 . 3]" 1
315 1 16 ALA HA 1 20 ARG H 3.000 . 3.500 3.267 3.059 3.452 . 0 0 "[ . 1 . 2 . 3]" 1
316 1 17 LYS HA 1 21 ARG H 4.000 . 5.000 4.052 3.808 4.288 . 0 0 "[ . 1 . 2 . 3]" 1
317 1 18 ASP HA 1 22 LYS H 3.000 . 3.500 3.612 3.536 3.727 0.227 17 0 "[ . 1 . 2 . 3]" 1
318 1 19 GLU HA 1 23 ILE H 4.000 . 5.000 4.111 3.836 4.395 . 0 0 "[ . 1 . 2 . 3]" 1
319 1 20 ARG HA 1 24 LEU H 3.000 . 3.500 3.338 3.183 3.528 0.028 3 0 "[ . 1 . 2 . 3]" 1
320 1 22 LYS HA 1 26 ALA H 4.000 . 5.000 5.092 5.036 5.130 0.130 20 0 "[ . 1 . 2 . 3]" 1
321 1 23 ILE HA 1 27 PHE H 4.000 . 5.000 4.341 4.063 4.563 . 0 0 "[ . 1 . 2 . 3]" 1
322 1 31 HIS HA 1 35 ILE H 4.000 . 5.000 4.334 2.200 5.052 0.052 14 0 "[ . 1 . 2 . 3]" 1
323 1 34 ASN HA 1 38 ILE H 4.000 . 5.000 4.836 4.577 5.017 0.017 24 0 "[ . 1 . 2 . 3]" 1
324 1 35 ILE HA 1 39 LEU H 4.000 . 5.000 3.752 3.614 3.927 . 0 0 "[ . 1 . 2 . 3]" 1
325 1 38 ILE HA 1 42 ARG H 4.000 . 5.000 4.316 4.170 4.467 . 0 0 "[ . 1 . 2 . 3]" 1
326 1 39 LEU HA 1 43 TRP H 4.000 . 5.000 3.725 3.549 3.858 . 0 0 "[ . 1 . 2 . 3]" 1
327 1 41 SER HA 1 45 ALA H 4.000 . 5.000 4.116 3.886 4.448 . 0 0 "[ . 1 . 2 . 3]" 1
328 1 62 SER HA 1 66 LEU H 4.000 . 5.000 4.076 3.159 4.628 . 0 0 "[ . 1 . 2 . 3]" 1
329 1 65 HIS HA 1 69 TYR H 4.000 . 5.000 4.773 3.703 5.073 0.073 21 0 "[ . 1 . 2 . 3]" 1
330 1 4 HIS H 1 5 ILE H 4.000 . 5.000 3.242 2.373 4.281 . 0 0 "[ . 1 . 2 . 3]" 1
331 1 5 ILE H 1 6 LYS H 4.000 . 5.000 3.809 2.603 4.524 . 0 0 "[ . 1 . 2 . 3]" 1
332 1 6 LYS H 1 7 ARG H 4.000 . 5.000 3.667 2.851 4.131 . 0 0 "[ . 1 . 2 . 3]" 1
333 1 9 MET H 1 10 ASN H 4.000 . 5.000 3.253 1.879 4.475 . 0 0 "[ . 1 . 2 . 3]" 1
334 1 10 ASN H 1 11 ALA H 4.000 . 5.000 4.362 4.242 4.460 . 0 0 "[ . 1 . 2 . 3]" 1
335 1 11 ALA H 1 12 PHE H 4.000 . 5.000 2.597 2.470 2.827 . 0 0 "[ . 1 . 2 . 3]" 1
336 1 12 PHE H 1 13 MET H 3.000 . 3.500 2.866 2.782 3.027 . 0 0 "[ . 1 . 2 . 3]" 1
337 1 14 VAL H 1 15 TRP H 3.000 . 3.500 2.354 2.305 2.436 . 0 0 "[ . 1 . 2 . 3]" 1
338 1 15 TRP H 1 16 ALA H 3.000 . 3.500 2.319 2.247 2.368 . 0 0 "[ . 1 . 2 . 3]" 1
339 1 16 ALA H 1 17 LYS H 3.000 . 3.500 2.599 2.534 2.661 . 0 0 "[ . 1 . 2 . 3]" 1
340 1 17 LYS H 1 18 ASP H 3.000 . 3.500 2.504 2.362 2.596 . 0 0 "[ . 1 . 2 . 3]" 1
341 1 18 ASP H 1 19 GLU H 3.000 . 3.500 2.101 2.019 2.278 . 0 0 "[ . 1 . 2 . 3]" 1
342 1 18 ASP HA 1 19 GLU H 3.000 . 3.500 3.478 3.444 3.519 0.019 17 0 "[ . 1 . 2 . 3]" 1
343 1 19 GLU H 1 20 ARG H 3.000 . 3.500 2.515 2.394 2.715 . 0 0 "[ . 1 . 2 . 3]" 1
344 1 20 ARG H 1 21 ARG H 3.000 . 3.500 2.364 2.290 2.559 . 0 0 "[ . 1 . 2 . 3]" 1
345 1 21 ARG H 1 22 LYS H 3.000 . 3.500 2.430 2.355 2.547 . 0 0 "[ . 1 . 2 . 3]" 1
346 1 22 LYS H 1 23 ILE H 3.000 . 3.500 2.499 2.455 2.562 . 0 0 "[ . 1 . 2 . 3]" 1
347 1 23 ILE H 1 24 LEU H 3.000 . 3.500 2.242 2.121 2.312 . 0 0 "[ . 1 . 2 . 3]" 1
348 1 24 LEU H 1 25 GLN H 3.000 . 3.500 2.686 2.576 2.745 . 0 0 "[ . 1 . 2 . 3]" 1
349 1 25 GLN H 1 26 ALA H 3.500 2.300 4.000 2.373 2.332 2.445 . 0 0 "[ . 1 . 2 . 3]" 1
350 1 26 ALA H 1 27 PHE H 3.000 . 3.500 2.320 2.273 2.372 . 0 0 "[ . 1 . 2 . 3]" 1
351 1 29 ASP H 1 30 MET H 2.500 . 2.700 1.958 1.891 2.102 . 0 0 "[ . 1 . 2 . 3]" 1
352 1 30 MET H 1 31 HIS H 4.000 . 5.000 3.939 2.621 4.132 . 0 0 "[ . 1 . 2 . 3]" 1
353 1 34 ASN H 1 35 ILE H 3.000 . 3.500 2.301 2.029 2.448 . 0 0 "[ . 1 . 2 . 3]" 1
354 1 35 ILE H 1 36 SER H 3.000 . 3.500 2.714 2.623 2.858 . 0 0 "[ . 1 . 2 . 3]" 1
355 1 36 SER H 1 37 LYS H 3.000 . 3.500 2.856 2.746 2.942 . 0 0 "[ . 1 . 2 . 3]" 1
356 1 37 LYS H 1 38 ILE H 3.000 . 3.500 2.410 2.343 2.459 . 0 0 "[ . 1 . 2 . 3]" 1
357 1 38 ILE H 1 39 LEU H 3.000 . 3.500 2.634 2.523 2.780 . 0 0 "[ . 1 . 2 . 3]" 1
358 1 39 LEU H 1 40 GLY H 3.000 . 3.500 2.879 2.755 3.000 . 0 0 "[ . 1 . 2 . 3]" 1
359 1 41 SER H 1 42 ARG H 3.000 . 3.500 1.936 1.887 1.972 . 0 0 "[ . 1 . 2 . 3]" 1
360 1 42 ARG H 1 43 TRP H 3.000 . 3.500 2.008 1.969 2.055 . 0 0 "[ . 1 . 2 . 3]" 1
361 1 43 TRP H 1 44 LYS H 3.000 . 3.500 2.791 2.702 2.850 . 0 0 "[ . 1 . 2 . 3]" 1
362 1 44 LYS H 1 45 ALA H 3.000 . 3.500 2.508 2.464 2.597 . 0 0 "[ . 1 . 2 . 3]" 1
363 1 45 ALA H 1 46 MET H 3.000 . 3.500 2.622 2.432 3.236 . 0 0 "[ . 1 . 2 . 3]" 1
364 1 46 MET H 1 47 THR H 4.000 . 5.000 4.165 3.832 4.586 . 0 0 "[ . 1 . 2 . 3]" 1
365 1 48 ASN H 1 49 LEU H 4.000 . 5.000 3.316 1.935 3.696 . 0 0 "[ . 1 . 2 . 3]" 1
366 1 49 LEU H 1 50 GLU H 4.000 . 5.000 2.563 2.236 2.731 . 0 0 "[ . 1 . 2 . 3]" 1
367 1 54 TYR H 1 55 TYR H 3.000 . 3.500 2.492 2.356 2.614 . 0 0 "[ . 1 . 2 . 3]" 1
368 1 55 TYR H 1 56 GLU H 3.000 . 3.500 2.571 2.321 2.806 . 0 0 "[ . 1 . 2 . 3]" 1
369 1 56 GLU H 1 57 GLU H 3.000 . 3.500 2.643 2.518 2.792 . 0 0 "[ . 1 . 2 . 3]" 1
370 1 57 GLU H 1 58 GLN H 3.000 . 3.500 2.601 2.528 2.735 . 0 0 "[ . 1 . 2 . 3]" 1
371 1 58 GLN H 1 59 ALA H 3.000 . 3.500 2.473 2.291 2.615 . 0 0 "[ . 1 . 2 . 3]" 1
372 1 60 ARG H 1 61 LEU H 3.000 . 3.500 2.678 2.481 2.816 . 0 0 "[ . 1 . 2 . 3]" 1
373 1 61 LEU H 1 62 SER H 3.000 . 3.500 2.656 2.513 2.775 . 0 0 "[ . 1 . 2 . 3]" 1
374 1 62 SER H 1 63 LYS H 3.000 . 3.500 2.374 2.311 2.508 . 0 0 "[ . 1 . 2 . 3]" 1
375 1 63 LYS H 1 64 GLN H 3.000 . 3.500 2.648 2.403 2.840 . 0 0 "[ . 1 . 2 . 3]" 1
376 1 67 GLU H 1 68 LYS H 3.000 . 3.500 2.633 2.436 2.746 . 0 0 "[ . 1 . 2 . 3]" 1
377 1 68 LYS H 1 69 TYR H 3.000 . 3.500 2.491 2.064 2.839 . 0 0 "[ . 1 . 2 . 3]" 1
378 1 71 ASP H 1 72 TYR H 3.000 . 3.500 3.349 2.540 3.610 0.110 15 0 "[ . 1 . 2 . 3]" 1
379 1 14 VAL H 1 16 ALA H 4.000 . 5.000 3.456 3.410 3.509 . 0 0 "[ . 1 . 2 . 3]" 1
380 1 16 ALA H 1 18 ASP H 4.000 . 5.000 4.216 4.062 4.444 . 0 0 "[ . 1 . 2 . 3]" 1
381 1 17 LYS H 1 19 GLU H 4.000 . 5.000 3.734 3.662 3.898 . 0 0 "[ . 1 . 2 . 3]" 1
382 1 18 ASP H 1 20 ARG H 3.000 . 3.500 3.567 3.396 3.630 0.130 23 0 "[ . 1 . 2 . 3]" 1
383 1 19 GLU H 1 21 ARG H 4.000 . 5.000 3.851 3.719 4.101 . 0 0 "[ . 1 . 2 . 3]" 1
384 1 20 ARG H 1 22 LYS H 3.000 . 3.500 3.644 3.598 3.750 0.250 6 0 "[ . 1 . 2 . 3]" 1
385 1 21 ARG H 1 23 ILE H 4.000 . 5.000 3.689 3.588 3.778 . 0 0 "[ . 1 . 2 . 3]" 1
386 1 23 ILE H 1 25 GLN H 4.000 . 5.000 3.579 3.416 3.722 . 0 0 "[ . 1 . 2 . 3]" 1
387 1 24 LEU H 1 26 ALA H 4.000 . 5.000 4.063 3.955 4.155 . 0 0 "[ . 1 . 2 . 3]" 1
388 1 25 GLN H 1 27 PHE H 3.000 . 3.500 3.479 3.431 3.552 0.052 26 0 "[ . 1 . 2 . 3]" 1
389 1 36 SER H 1 38 ILE H 4.000 . 5.000 3.796 3.724 3.873 . 0 0 "[ . 1 . 2 . 3]" 1
390 1 37 LYS H 1 39 LEU H 4.000 . 5.000 4.339 4.142 4.513 . 0 0 "[ . 1 . 2 . 3]" 1
391 1 39 LEU H 1 41 SER H 4.000 . 5.000 3.746 3.659 3.822 . 0 0 "[ . 1 . 2 . 3]" 1
392 1 40 GLY H 1 42 ARG H 4.000 . 5.000 3.908 3.857 4.027 . 0 0 "[ . 1 . 2 . 3]" 1
393 1 41 SER H 1 43 TRP H 4.000 . 5.000 3.322 3.226 3.405 . 0 0 "[ . 1 . 2 . 3]" 1
394 1 42 ARG H 1 44 LYS H 4.000 . 5.000 4.059 3.882 4.218 . 0 0 "[ . 1 . 2 . 3]" 1
395 1 43 TRP H 1 45 ALA H 4.000 . 5.000 3.501 3.454 3.561 . 0 0 "[ . 1 . 2 . 3]" 1
396 1 44 LYS H 1 46 MET H 4.000 . 5.000 4.189 3.895 5.022 0.022 20 0 "[ . 1 . 2 . 3]" 1
397 1 52 GLN H 1 54 TYR H 4.000 . 5.000 4.315 3.814 4.747 . 0 0 "[ . 1 . 2 . 3]" 1
398 1 54 TYR H 1 56 GLU H 4.000 . 5.000 4.658 4.163 4.978 . 0 0 "[ . 1 . 2 . 3]" 1
399 1 56 GLU H 1 58 GLN H 4.000 . 5.000 3.964 3.666 4.183 . 0 0 "[ . 1 . 2 . 3]" 1
400 1 60 ARG H 1 62 SER H 4.000 . 5.000 3.685 3.480 4.076 . 0 0 "[ . 1 . 2 . 3]" 1
401 1 61 LEU H 1 63 LYS H 4.000 . 5.000 4.269 3.977 4.856 . 0 0 "[ . 1 . 2 . 3]" 1
402 1 64 GLN H 1 66 LEU H 4.000 . 5.000 4.869 4.457 5.056 0.056 19 0 "[ . 1 . 2 . 3]" 1
403 1 67 GLU H 1 69 TYR H 4.000 . 5.000 4.550 4.027 4.998 . 0 0 "[ . 1 . 2 . 3]" 1
404 1 11 ALA H 1 14 VAL H 4.000 . 5.000 4.640 4.431 4.950 . 0 0 "[ . 1 . 2 . 3]" 1
405 1 37 LYS H 1 40 GLY H 4.000 . 6.000 4.854 4.655 5.019 . 0 0 "[ . 1 . 2 . 3]" 1
406 1 40 GLY H 1 43 TRP H 4.500 . 5.500 4.490 4.433 4.596 . 0 0 "[ . 1 . 2 . 3]" 1
407 1 41 SER H 1 44 LYS H 4.000 . 5.000 4.623 4.457 4.760 . 0 0 "[ . 1 . 2 . 3]" 1
408 1 38 ILE H 1 38 ILE HA 2.500 . 2.700 2.865 2.851 2.877 0.177 29 0 "[ . 1 . 2 . 3]" 1
409 1 17 LYS H 1 17 LYS HA 2.500 . 2.700 2.853 2.836 2.868 0.168 30 0 "[ . 1 . 2 . 3]" 1
410 1 22 LYS H 1 22 LYS HA 2.500 . 2.700 2.867 2.845 2.877 0.177 20 0 "[ . 1 . 2 . 3]" 1
411 1 25 GLN H 1 25 GLN HA 2.500 . 2.700 2.853 2.844 2.863 0.163 18 0 "[ . 1 . 2 . 3]" 1
412 1 26 ALA H 1 26 ALA HA 2.500 . 2.700 2.920 2.897 2.941 0.241 22 0 "[ . 1 . 2 . 3]" 1
413 1 37 LYS H 1 37 LYS HA 2.500 . 2.700 2.867 2.851 2.885 0.185 21 0 "[ . 1 . 2 . 3]" 1
414 1 41 SER H 1 41 SER HA 2.500 . 2.700 2.951 2.943 2.960 0.260 22 0 "[ . 1 . 2 . 3]" 1
415 1 45 ALA H 1 45 ALA HA 2.500 . 2.700 2.882 2.839 2.901 0.201 19 0 "[ . 1 . 2 . 3]" 1
416 1 59 ALA H 1 59 ALA HA 2.500 . 2.700 2.799 2.763 2.870 0.170 16 0 "[ . 1 . 2 . 3]" 1
417 1 67 GLU H 1 67 GLU HA 2.500 . 2.700 2.830 2.802 2.899 0.199 22 0 "[ . 1 . 2 . 3]" 1
418 1 71 ASP H 1 71 ASP HA 2.500 . 2.700 2.906 2.859 2.929 0.229 12 0 "[ . 1 . 2 . 3]" 1
419 1 72 TYR H 1 72 TYR HA 2.500 . 2.700 2.837 2.815 2.903 0.203 3 0 "[ . 1 . 2 . 3]" 1
420 1 5 ILE H 1 5 ILE HB 3.000 . 3.500 3.372 2.562 3.661 0.161 8 0 "[ . 1 . 2 . 3]" 1
421 1 6 LYS H 1 6 LYS HB2 3.000 . 3.500 2.537 2.087 3.626 0.126 22 0 "[ . 1 . 2 . 3]" 1
422 1 6 LYS H 1 6 LYS HB3 3.000 . 3.500 3.039 2.421 3.594 0.094 16 0 "[ . 1 . 2 . 3]" 1
423 1 9 MET H 1 9 MET HB2 3.000 . 3.500 2.715 2.102 3.519 0.019 25 0 "[ . 1 . 2 . 3]" 1
424 1 9 MET H 1 9 MET HB3 3.000 . 3.500 3.543 3.359 3.692 0.192 7 0 "[ . 1 . 2 . 3]" 1
425 1 12 PHE H 1 12 PHE HB2 3.000 . 3.500 2.724 2.359 2.865 . 0 0 "[ . 1 . 2 . 3]" 1
426 1 12 PHE H 1 12 PHE HB3 3.000 . 3.500 2.229 2.135 2.507 . 0 0 "[ . 1 . 2 . 3]" 1
427 1 14 VAL H 1 14 VAL HB 3.000 . 3.500 2.211 2.154 2.260 . 0 0 "[ . 1 . 2 . 3]" 1
428 1 17 LYS H 1 17 LYS QB 2.500 . 3.500 2.458 2.198 2.670 . 0 0 "[ . 1 . 2 . 3]" 1
429 1 18 ASP H 1 18 ASP HB2 3.000 . 3.500 2.509 2.277 3.406 . 0 0 "[ . 1 . 2 . 3]" 1
430 1 18 ASP H 1 18 ASP HB3 3.000 . 3.500 3.007 2.529 3.519 0.019 30 0 "[ . 1 . 2 . 3]" 1
431 1 19 GLU H 1 19 GLU HB2 3.000 . 3.500 1.993 1.934 2.010 . 0 0 "[ . 1 . 2 . 3]" 1
432 1 19 GLU H 1 19 GLU HB3 3.000 . 3.500 3.224 3.187 3.324 . 0 0 "[ . 1 . 2 . 3]" 1
433 1 20 ARG H 1 20 ARG QB 2.500 . 3.500 2.380 2.033 2.694 . 0 0 "[ . 1 . 2 . 3]" 1
434 1 21 ARG H 1 21 ARG HB2 3.000 . 3.500 2.612 2.038 3.440 . 0 0 "[ . 1 . 2 . 3]" 1
435 1 21 ARG H 1 21 ARG HB3 3.000 . 3.500 2.873 2.016 3.442 . 0 0 "[ . 1 . 2 . 3]" 1
436 1 22 LYS H 1 22 LYS QB 2.500 . 3.500 2.249 2.075 2.515 . 0 0 "[ . 1 . 2 . 3]" 1
437 1 23 ILE H 1 23 ILE HB 2.500 . 2.700 2.245 2.204 2.285 . 0 0 "[ . 1 . 2 . 3]" 1
438 1 24 LEU H 1 24 LEU HB2 3.000 . 3.500 2.171 2.102 2.308 . 0 0 "[ . 1 . 2 . 3]" 1
439 1 24 LEU H 1 24 LEU HB3 3.000 . 3.500 2.851 2.638 2.964 . 0 0 "[ . 1 . 2 . 3]" 1
440 1 25 GLN H 1 25 GLN HB2 3.000 . 3.500 3.586 3.579 3.595 0.095 12 0 "[ . 1 . 2 . 3]" 1
441 1 25 GLN H 1 25 GLN HB3 3.000 . 3.500 2.477 2.440 2.594 . 0 0 "[ . 1 . 2 . 3]" 1
442 1 29 ASP H 1 29 ASP HB2 3.000 . 3.500 2.405 2.253 3.624 0.124 9 0 "[ . 1 . 2 . 3]" 1
443 1 29 ASP H 1 29 ASP HB3 3.000 . 3.500 3.216 2.697 3.358 . 0 0 "[ . 1 . 2 . 3]" 1
444 1 30 MET H 1 30 MET HB2 3.000 . 3.500 2.284 2.129 2.783 . 0 0 "[ . 1 . 2 . 3]" 1
445 1 30 MET H 1 30 MET HB3 3.000 . 3.500 2.902 2.266 3.142 . 0 0 "[ . 1 . 2 . 3]" 1
446 1 34 ASN H 1 34 ASN HB2 3.000 . 3.500 2.311 2.226 2.481 . 0 0 "[ . 1 . 2 . 3]" 1
447 1 34 ASN H 1 34 ASN HB3 3.000 . 3.500 3.310 2.990 3.610 0.110 22 0 "[ . 1 . 2 . 3]" 1
448 1 35 ILE H 1 35 ILE HB 3.000 . 3.500 2.488 2.406 2.566 . 0 0 "[ . 1 . 2 . 3]" 1
449 1 36 SER H 1 36 SER QB 2.500 . 3.500 2.080 2.029 2.157 . 0 0 "[ . 1 . 2 . 3]" 1
450 1 37 LYS H 1 37 LYS QB 2.500 . 3.500 2.526 2.338 2.790 . 0 0 "[ . 1 . 2 . 3]" 1
451 1 38 ILE H 1 38 ILE HB 3.000 . 3.500 2.207 2.152 2.272 . 0 0 "[ . 1 . 2 . 3]" 1
452 1 39 LEU H 1 39 LEU HB2 3.000 . 3.500 2.341 2.268 2.445 . 0 0 "[ . 1 . 2 . 3]" 1
453 1 39 LEU H 1 39 LEU HB3 3.000 . 3.500 3.549 3.528 3.567 0.067 6 0 "[ . 1 . 2 . 3]" 1
454 1 41 SER H 1 41 SER QB 2.500 . 3.500 2.494 2.261 2.860 . 0 0 "[ . 1 . 2 . 3]" 1
455 1 42 ARG H 1 42 ARG HB2 3.000 . 3.500 2.131 2.041 2.887 . 0 0 "[ . 1 . 2 . 3]" 1
456 1 42 ARG H 1 42 ARG HB3 3.000 . 3.500 3.433 3.348 3.601 0.101 18 0 "[ . 1 . 2 . 3]" 1
457 1 43 TRP H 1 43 TRP HB2 3.000 . 3.500 2.388 2.320 2.476 . 0 0 "[ . 1 . 2 . 3]" 1
458 1 43 TRP H 1 43 TRP HB3 3.000 . 3.500 2.543 2.480 2.599 . 0 0 "[ . 1 . 2 . 3]" 1
459 1 44 LYS H 1 44 LYS QB 2.500 . 3.500 2.269 2.053 2.494 . 0 0 "[ . 1 . 2 . 3]" 1
460 1 46 MET H 1 46 MET HB2 3.000 . 3.500 3.036 2.214 3.720 0.220 30 0 "[ . 1 . 2 . 3]" 1
461 1 46 MET H 1 46 MET HB3 3.000 . 3.500 3.171 2.477 3.641 0.141 14 0 "[ . 1 . 2 . 3]" 1
462 1 50 GLU H 1 50 GLU HB2 3.000 . 3.500 2.276 2.097 2.724 . 0 0 "[ . 1 . 2 . 3]" 1
463 1 50 GLU H 1 50 GLU HB3 3.000 . 3.500 3.110 2.507 3.555 0.055 4 0 "[ . 1 . 2 . 3]" 1
464 1 51 LYS H 1 51 LYS HB2 3.000 . 3.500 2.717 2.077 3.644 0.144 3 0 "[ . 1 . 2 . 3]" 1
465 1 51 LYS H 1 51 LYS HB3 3.000 . 3.500 3.176 2.131 3.631 0.131 27 0 "[ . 1 . 2 . 3]" 1
466 1 52 GLN H 1 52 GLN HB2 3.000 . 3.500 2.873 2.074 3.619 0.119 25 0 "[ . 1 . 2 . 3]" 1
467 1 52 GLN H 1 52 GLN HB3 3.000 . 3.500 3.233 2.042 3.593 0.093 21 0 "[ . 1 . 2 . 3]" 1
468 1 55 TYR H 1 55 TYR HB2 3.000 . 3.500 2.117 1.997 2.222 . 0 0 "[ . 1 . 2 . 3]" 1
469 1 55 TYR H 1 55 TYR HB3 3.000 . 3.500 3.305 3.143 3.515 0.015 25 0 "[ . 1 . 2 . 3]" 1
470 1 56 GLU H 1 56 GLU HB2 3.000 . 3.500 3.137 2.120 3.608 0.108 26 0 "[ . 1 . 2 . 3]" 1
471 1 56 GLU H 1 56 GLU HB3 3.000 . 3.500 2.950 2.366 3.584 0.084 22 0 "[ . 1 . 2 . 3]" 1
472 1 57 GLU H 1 57 GLU HB2 3.000 . 3.500 2.342 2.094 3.601 0.101 22 0 "[ . 1 . 2 . 3]" 1
473 1 57 GLU H 1 57 GLU HB3 3.000 . 3.500 3.396 2.404 3.578 0.078 4 0 "[ . 1 . 2 . 3]" 1
474 1 58 GLN H 1 58 GLN HB2 3.000 . 3.500 3.336 2.655 3.627 0.127 16 0 "[ . 1 . 2 . 3]" 1
475 1 58 GLN H 1 58 GLN HB3 3.000 . 3.500 2.354 2.071 3.588 0.088 20 0 "[ . 1 . 2 . 3]" 1
476 1 61 LEU H 1 61 LEU HB2 3.000 . 3.500 3.364 2.632 3.611 0.111 9 0 "[ . 1 . 2 . 3]" 1
477 1 61 LEU H 1 61 LEU HB3 3.000 . 3.500 2.934 2.599 3.602 0.102 11 0 "[ . 1 . 2 . 3]" 1
478 1 62 SER H 1 62 SER QB 2.500 . 3.500 2.269 2.099 2.717 . 0 0 "[ . 1 . 2 . 3]" 1
479 1 64 GLN H 1 64 GLN QB 2.500 . 3.500 2.502 2.157 2.791 . 0 0 "[ . 1 . 2 . 3]" 1
480 1 66 LEU H 1 66 LEU HB2 3.000 . 3.500 2.364 2.144 2.735 . 0 0 "[ . 1 . 2 . 3]" 1
481 1 66 LEU H 1 66 LEU HB3 3.000 . 3.500 3.566 3.459 3.621 0.121 4 0 "[ . 1 . 2 . 3]" 1
482 1 67 GLU H 1 67 GLU QB 2.500 . 3.500 2.295 2.166 2.723 . 0 0 "[ . 1 . 2 . 3]" 1
483 1 68 LYS H 1 68 LYS HB2 3.000 . 3.500 2.341 2.176 3.651 0.151 19 0 "[ . 1 . 2 . 3]" 1
484 1 68 LYS H 1 68 LYS HB3 3.000 . 3.500 3.530 2.539 3.668 0.168 20 0 "[ . 1 . 2 . 3]" 1
485 1 72 TYR H 1 72 TYR QB 2.500 . 3.500 2.330 2.042 2.765 . 0 0 "[ . 1 . 2 . 3]" 1
486 1 5 ILE HG13 1 6 LYS H 4.000 . 5.000 4.683 3.870 5.089 0.089 24 0 "[ . 1 . 2 . 3]" 1
487 1 5 ILE HG12 1 6 LYS H 4.000 . 5.000 4.953 4.651 5.118 0.118 14 0 "[ . 1 . 2 . 3]" 1
488 1 5 ILE MG 1 6 LYS H 4.000 . 6.500 3.640 1.858 4.370 . 0 0 "[ . 1 . 2 . 3]" 1
489 1 5 ILE HG13 1 7 ARG H 4.000 . 6.000 4.739 3.499 6.026 0.026 10 0 "[ . 1 . 2 . 3]" 1
490 1 5 ILE HG12 1 7 ARG H 4.000 . 6.000 5.733 5.169 6.053 0.053 6 0 "[ . 1 . 2 . 3]" 1
491 1 5 ILE MG 1 7 ARG H 4.000 . 6.500 4.420 2.179 5.525 . 0 0 "[ . 1 . 2 . 3]" 1
492 1 5 ILE H 1 5 ILE HG13 3.000 . 3.500 2.282 1.883 2.629 . 0 0 "[ . 1 . 2 . 3]" 1
493 1 5 ILE H 1 5 ILE HG12 3.000 . 3.500 2.550 1.795 3.538 0.038 24 0 "[ . 1 . 2 . 3]" 1
494 1 5 ILE H 1 5 ILE MG 3.000 . 5.000 3.485 2.492 3.957 . 0 0 "[ . 1 . 2 . 3]" 1
495 1 5 ILE H 1 5 ILE MD 4.000 . 6.500 3.711 3.490 4.032 . 0 0 "[ . 1 . 2 . 3]" 1
496 1 23 ILE H 1 23 ILE MG 3.000 . 5.000 3.252 3.139 3.346 . 0 0 "[ . 1 . 2 . 3]" 1
497 1 23 ILE H 1 23 ILE MD 3.000 . 5.000 3.316 2.705 3.744 . 0 0 "[ . 1 . 2 . 3]" 1
498 1 23 ILE MG 1 24 LEU H 3.000 . 5.000 2.289 2.127 2.625 . 0 0 "[ . 1 . 2 . 3]" 1
499 1 23 ILE MD 1 24 LEU H 4.000 . 6.500 4.544 4.239 4.760 . 0 0 "[ . 1 . 2 . 3]" 1
500 1 35 ILE H 1 35 ILE MG 3.000 . 5.000 3.777 3.765 3.792 . 0 0 "[ . 1 . 2 . 3]" 1
501 1 35 ILE H 1 35 ILE QG 3.000 . 4.500 2.148 1.940 2.357 . 0 0 "[ . 1 . 2 . 3]" 1
502 1 35 ILE H 1 35 ILE MD 4.000 . 6.500 3.569 3.341 3.852 . 0 0 "[ . 1 . 2 . 3]" 1
503 1 35 ILE QG 1 36 SER H 4.000 . 6.000 4.137 3.981 4.248 . 0 0 "[ . 1 . 2 . 3]" 1
504 1 35 ILE MG 1 36 SER H 3.000 . 5.000 3.566 3.393 3.724 . 0 0 "[ . 1 . 2 . 3]" 1
505 1 35 ILE MD 1 36 SER H 4.000 . 6.500 4.762 4.660 4.905 . 0 0 "[ . 1 . 2 . 3]" 1
506 1 38 ILE H 1 38 ILE MG 3.000 . 5.000 3.658 3.604 3.702 . 0 0 "[ . 1 . 2 . 3]" 1
507 1 38 ILE H 1 38 ILE QG 3.000 . 4.500 3.414 3.043 3.526 . 0 0 "[ . 1 . 2 . 3]" 1
508 1 38 ILE H 1 38 ILE MD 3.000 . 5.000 2.015 1.826 2.427 . 0 0 "[ . 1 . 2 . 3]" 1
509 1 35 ILE H 1 38 ILE MD 4.000 . 6.500 3.608 3.127 4.300 . 0 0 "[ . 1 . 2 . 3]" 1
510 1 37 LYS H 1 38 ILE QG 4.000 . 6.000 5.281 4.922 5.412 . 0 0 "[ . 1 . 2 . 3]" 1
511 1 37 LYS H 1 38 ILE MD 4.000 . 6.500 3.313 3.149 3.667 . 0 0 "[ . 1 . 2 . 3]" 1
512 1 38 ILE QG 1 39 LEU H 4.000 . 6.000 4.291 4.218 4.355 . 0 0 "[ . 1 . 2 . 3]" 1
513 1 38 ILE MG 1 39 LEU H 3.000 . 5.000 2.671 2.348 2.924 . 0 0 "[ . 1 . 2 . 3]" 1
514 1 6 LYS H 1 6 LYS HG3 4.000 . 5.000 3.790 1.865 4.760 . 0 0 "[ . 1 . 2 . 3]" 1
515 1 6 LYS H 1 6 LYS HG2 4.000 . 5.000 3.919 1.855 4.743 . 0 0 "[ . 1 . 2 . 3]" 1
516 1 17 LYS H 1 17 LYS HG3 3.000 . 3.500 2.848 2.168 3.601 0.101 23 0 "[ . 1 . 2 . 3]" 1
517 1 17 LYS H 1 17 LYS HG2 3.000 . 3.500 2.651 1.894 3.642 0.142 5 0 "[ . 1 . 2 . 3]" 1
518 1 17 LYS H 1 17 LYS QD 3.000 . 4.500 4.045 3.469 4.193 . 0 0 "[ . 1 . 2 . 3]" 1
519 1 17 LYS QD 1 18 ASP H 4.000 . 6.000 4.065 2.733 5.052 . 0 0 "[ . 1 . 2 . 3]" 1
520 1 22 LYS H 1 22 LYS HG3 4.000 . 5.000 3.776 2.297 4.683 . 0 0 "[ . 1 . 2 . 3]" 1
521 1 22 LYS H 1 22 LYS HG2 4.000 . 5.000 4.019 2.334 4.710 . 0 0 "[ . 1 . 2 . 3]" 1
522 1 22 LYS H 1 22 LYS QD 3.000 . 4.500 4.045 3.821 4.219 . 0 0 "[ . 1 . 2 . 3]" 1
523 1 37 LYS H 1 37 LYS HG3 3.000 . 3.500 2.766 1.853 3.645 0.145 19 0 "[ . 1 . 2 . 3]" 1
524 1 37 LYS H 1 37 LYS HG2 3.000 . 3.500 2.584 1.918 3.716 0.216 14 0 "[ . 1 . 2 . 3]" 1
525 1 37 LYS H 1 37 LYS QD 3.000 . 4.500 3.642 1.723 4.133 . 0 0 "[ . 1 . 2 . 3]" 1
526 1 37 LYS QD 1 38 ILE H 4.000 . 6.000 4.677 3.449 5.347 . 0 0 "[ . 1 . 2 . 3]" 1
527 1 44 LYS H 1 44 LYS HG3 4.000 . 5.000 2.917 2.057 4.366 . 0 0 "[ . 1 . 2 . 3]" 1
528 1 44 LYS H 1 44 LYS HG2 4.000 . 5.000 3.486 2.586 4.456 . 0 0 "[ . 1 . 2 . 3]" 1
529 1 51 LYS H 1 51 LYS HG3 4.000 . 5.000 3.277 1.749 4.710 0.051 24 0 "[ . 1 . 2 . 3]" 1
530 1 51 LYS H 1 51 LYS HG2 4.000 . 5.000 3.587 1.768 4.650 0.032 3 0 "[ . 1 . 2 . 3]" 1
531 1 51 LYS H 1 51 LYS HD3 4.000 . 5.000 3.994 2.456 5.154 0.154 28 0 "[ . 1 . 2 . 3]" 1
532 1 51 LYS H 1 51 LYS HD2 4.000 . 5.000 4.051 1.865 5.045 0.045 30 0 "[ . 1 . 2 . 3]" 1
533 1 63 LYS H 1 63 LYS QG 3.000 . 4.500 3.984 3.596 4.086 . 0 0 "[ . 1 . 2 . 3]" 1
534 1 63 LYS H 1 63 LYS QD 3.000 . 4.500 3.775 2.957 4.170 . 0 0 "[ . 1 . 2 . 3]" 1
535 1 68 LYS H 1 68 LYS HG3 3.000 . 3.500 3.283 2.546 3.547 0.047 4 0 "[ . 1 . 2 . 3]" 1
536 1 68 LYS H 1 68 LYS HG2 3.000 . 3.500 3.203 2.326 3.542 0.042 12 0 "[ . 1 . 2 . 3]" 1
537 1 7 ARG H 1 7 ARG QG 3.000 . 4.500 3.072 1.803 4.092 . 0 0 "[ . 1 . 2 . 3]" 1
538 1 7 ARG H 1 8 PRO HD3 4.000 . 5.000 3.532 1.943 4.936 . 0 0 "[ . 1 . 2 . 3]" 1
539 1 7 ARG H 1 8 PRO HD2 4.000 . 5.000 3.732 1.754 5.000 0.046 20 0 "[ . 1 . 2 . 3]" 1
540 1 20 ARG H 1 20 ARG HG3 3.000 . 3.500 2.867 1.964 3.678 0.178 29 0 "[ . 1 . 2 . 3]" 1
541 1 20 ARG H 1 20 ARG HG2 3.000 . 3.500 3.180 2.483 3.538 0.038 3 0 "[ . 1 . 2 . 3]" 1
542 1 20 ARG HG3 1 21 ARG H 4.000 . 5.000 2.647 1.771 4.780 0.029 19 0 "[ . 1 . 2 . 3]" 1
543 1 20 ARG HG2 1 21 ARG H 4.000 . 5.000 3.660 2.389 4.695 . 0 0 "[ . 1 . 2 . 3]" 1
544 1 21 ARG H 1 21 ARG HG3 3.000 . 3.500 3.448 3.122 3.634 0.134 14 0 "[ . 1 . 2 . 3]" 1
545 1 21 ARG H 1 21 ARG HG2 3.000 . 3.500 3.533 3.224 3.684 0.184 10 0 "[ . 1 . 2 . 3]" 1
546 1 21 ARG H 1 21 ARG QD 4.000 . 6.000 4.615 4.374 4.795 . 0 0 "[ . 1 . 2 . 3]" 1
547 1 42 ARG H 1 42 ARG HG3 3.000 . 3.500 3.428 2.173 3.645 0.145 23 0 "[ . 1 . 2 . 3]" 1
548 1 42 ARG H 1 42 ARG HG2 3.000 . 3.500 3.176 2.367 3.613 0.113 29 0 "[ . 1 . 2 . 3]" 1
549 1 42 ARG H 1 42 ARG HD3 4.000 . 5.000 4.878 4.375 5.130 0.130 15 0 "[ . 1 . 2 . 3]" 1
550 1 42 ARG H 1 42 ARG HD2 4.000 . 5.000 5.121 4.392 5.253 0.253 25 0 "[ . 1 . 2 . 3]" 1
551 1 60 ARG H 1 60 ARG QG 3.000 . 4.500 2.559 1.755 3.168 . 0 0 "[ . 1 . 2 . 3]" 1
552 1 60 ARG H 1 60 ARG HD3 4.000 . 5.000 4.668 4.049 5.012 0.012 4 0 "[ . 1 . 2 . 3]" 1
553 1 60 ARG H 1 60 ARG HD2 4.000 . 5.000 4.625 3.762 5.040 0.040 12 0 "[ . 1 . 2 . 3]" 1
554 1 8 PRO HD3 1 9 MET H 4.000 . 5.000 5.034 4.271 5.341 0.341 7 0 "[ . 1 . 2 . 3]" 1
555 1 8 PRO HD2 1 9 MET H 4.000 . 5.000 4.565 3.402 5.041 0.041 7 0 "[ . 1 . 2 . 3]" 1
556 1 9 MET H 1 9 MET HG3 3.000 . 3.500 2.701 1.794 3.650 0.150 2 0 "[ . 1 . 2 . 3]" 1
557 1 9 MET H 1 9 MET HG2 3.000 . 3.500 2.932 2.178 3.661 0.161 26 0 "[ . 1 . 2 . 3]" 1
558 1 9 MET H 1 9 MET ME 3.000 . 5.000 3.825 2.882 4.121 . 0 0 "[ . 1 . 2 . 3]" 1
559 1 9 MET ME 1 10 ASN H 4.000 . 6.500 4.739 3.160 5.469 . 0 0 "[ . 1 . 2 . 3]" 1
560 1 13 MET H 1 13 MET HG3 3.000 . 3.500 2.784 2.040 3.535 0.035 27 0 "[ . 1 . 2 . 3]" 1
561 1 13 MET H 1 13 MET HG2 3.000 . 3.500 2.888 1.834 3.491 . 0 0 "[ . 1 . 2 . 3]" 1
562 1 13 MET H 1 13 MET ME 4.000 . 6.500 4.515 3.936 4.983 . 0 0 "[ . 1 . 2 . 3]" 1
563 1 27 PHE H 1 30 MET ME 4.000 . 6.500 4.918 4.300 5.255 . 0 0 "[ . 1 . 2 . 3]" 1
564 1 30 MET H 1 30 MET ME 3.000 . 5.000 3.593 3.241 3.983 . 0 0 "[ . 1 . 2 . 3]" 1
565 1 30 MET ME 1 31 HIS H 4.000 . 6.500 5.262 4.948 5.390 . 0 0 "[ . 1 . 2 . 3]" 1
566 1 46 MET H 1 46 MET HG3 3.000 . 3.500 2.706 1.737 3.511 0.063 25 0 "[ . 1 . 2 . 3]" 1
567 1 46 MET H 1 46 MET HG2 3.000 . 3.500 2.744 1.805 3.367 . 0 0 "[ . 1 . 2 . 3]" 1
568 1 46 MET H 1 46 MET ME 4.000 . 6.500 4.307 3.873 4.625 . 0 0 "[ . 1 . 2 . 3]" 1
569 1 12 PHE QD 1 13 MET H 3.000 . 5.900 2.634 2.186 3.045 . 0 0 "[ . 1 . 2 . 3]" 1
570 1 12 PHE QD 1 14 VAL H 4.000 . 7.400 4.682 4.180 4.876 . 0 0 "[ . 1 . 2 . 3]" 1
571 1 12 PHE HZ 1 39 LEU H 4.000 . 5.000 4.666 4.387 4.942 . 0 0 "[ . 1 . 2 . 3]" 1
572 1 12 PHE HZ 1 40 GLY H 3.000 . 3.500 2.439 2.086 2.827 . 0 0 "[ . 1 . 2 . 3]" 1
573 1 12 PHE QE 1 41 SER H 3.000 . 5.900 4.279 4.022 4.912 . 0 0 "[ . 1 . 2 . 3]" 1
574 1 12 PHE QE 1 42 ARG H 4.000 . 7.400 4.214 3.833 5.159 . 0 0 "[ . 1 . 2 . 3]" 1
575 1 12 PHE QE 1 43 TRP H 4.000 . 7.400 3.354 2.875 4.082 . 0 0 "[ . 1 . 2 . 3]" 1
576 1 14 VAL H 1 14 VAL MG1 3.000 . 4.500 3.640 3.590 3.673 . 0 0 "[ . 1 . 2 . 3]" 1
577 1 14 VAL H 1 14 VAL MG2 2.500 . 3.700 2.734 2.547 2.857 . 0 0 "[ . 1 . 2 . 3]" 1
578 1 14 VAL MG1 1 15 TRP H 3.000 . 4.500 2.917 2.775 3.029 . 0 0 "[ . 1 . 2 . 3]" 1
579 1 14 VAL MG2 1 15 TRP H 3.000 . 4.500 3.910 3.828 3.967 . 0 0 "[ . 1 . 2 . 3]" 1
580 1 15 TRP H 1 15 TRP HE3 4.000 . 5.000 3.327 3.168 3.463 . 0 0 "[ . 1 . 2 . 3]" 1
581 1 15 TRP HE3 1 16 ALA H 3.000 . 3.500 1.859 1.843 1.891 . 0 0 "[ . 1 . 2 . 3]" 1
582 1 15 TRP HZ3 1 16 ALA H 4.000 . 5.000 3.902 3.867 3.934 . 0 0 "[ . 1 . 2 . 3]" 1
583 1 15 TRP HH2 1 43 TRP H 3.000 . 3.500 2.303 2.067 2.694 . 0 0 "[ . 1 . 2 . 3]" 1
584 1 15 TRP HZ2 1 43 TRP H 4.000 2.800 5.000 3.972 3.628 4.430 . 0 0 "[ . 1 . 2 . 3]" 1
585 1 43 TRP H 1 43 TRP HD1 4.000 . 5.000 5.032 5.002 5.065 0.065 11 0 "[ . 1 . 2 . 3]" 1
586 1 43 TRP H 1 43 TRP HE3 4.000 . 5.000 4.280 4.187 4.366 . 0 0 "[ . 1 . 2 . 3]" 1
587 1 19 GLU H 1 19 GLU HG3 3.000 . 3.700 3.753 3.650 3.907 0.207 23 0 "[ . 1 . 2 . 3]" 1
588 1 19 GLU H 1 19 GLU HG2 3.000 . 3.700 3.772 3.573 3.849 0.149 23 0 "[ . 1 . 2 . 3]" 1
589 1 50 GLU H 1 50 GLU QG 3.000 . 4.500 3.660 2.701 4.104 . 0 0 "[ . 1 . 2 . 3]" 1
590 1 56 GLU H 1 56 GLU HG3 3.000 . 3.500 2.850 1.852 3.633 0.133 27 0 "[ . 1 . 2 . 3]" 1
591 1 56 GLU H 1 56 GLU HG2 3.000 . 3.500 2.582 1.872 3.651 0.151 27 0 "[ . 1 . 2 . 3]" 1
592 1 57 GLU H 1 57 GLU HG3 3.000 . 3.500 3.242 2.158 3.558 0.058 22 0 "[ . 1 . 2 . 3]" 1
593 1 57 GLU H 1 57 GLU HG2 3.000 . 3.500 3.230 1.883 3.558 0.058 9 0 "[ . 1 . 2 . 3]" 1
594 1 67 GLU H 1 67 GLU HG3 3.000 . 3.500 2.935 2.486 3.638 0.138 4 0 "[ . 1 . 2 . 3]" 1
595 1 67 GLU H 1 67 GLU HG2 3.000 . 3.500 3.119 1.825 3.586 0.086 4 0 "[ . 1 . 2 . 3]" 1
596 1 24 LEU H 1 24 LEU HG 4.000 . 5.000 4.415 4.373 4.461 . 0 0 "[ . 1 . 2 . 3]" 1
597 1 24 LEU H 1 24 LEU MD1 3.000 . 5.000 3.498 3.292 3.769 . 0 0 "[ . 1 . 2 . 3]" 1
598 1 24 LEU H 1 24 LEU MD2 3.000 . 5.000 4.192 4.137 4.246 . 0 0 "[ . 1 . 2 . 3]" 1
599 1 24 LEU HG 1 27 PHE H 4.000 . 5.000 4.299 4.099 4.537 . 0 0 "[ . 1 . 2 . 3]" 1
600 1 24 LEU MD1 1 27 PHE H 4.000 . 6.500 4.348 4.070 4.507 . 0 0 "[ . 1 . 2 . 3]" 1
601 1 39 LEU H 1 39 LEU HG 3.000 . 3.500 2.338 2.080 2.536 . 0 0 "[ . 1 . 2 . 3]" 1
602 1 39 LEU H 1 39 LEU MD1 3.000 . 5.000 3.674 3.480 3.839 . 0 0 "[ . 1 . 2 . 3]" 1
603 1 39 LEU H 1 39 LEU MD2 3.000 . 5.000 3.360 3.205 3.520 . 0 0 "[ . 1 . 2 . 3]" 1
604 1 39 LEU MD1 1 40 GLY H 3.000 . 5.000 4.042 3.969 4.104 . 0 0 "[ . 1 . 2 . 3]" 1
605 1 39 LEU MD2 1 40 GLY H 4.000 . 6.500 4.369 4.294 4.485 . 0 0 "[ . 1 . 2 . 3]" 1
606 1 58 GLN H 1 61 LEU QD 4.000 . 7.400 3.914 3.481 4.360 . 0 0 "[ . 1 . 2 . 3]" 1
607 1 60 ARG H 1 61 LEU QD 3.000 . 5.900 4.028 3.536 4.184 . 0 0 "[ . 1 . 2 . 3]" 1
608 1 61 LEU H 1 61 LEU HG 3.000 . 3.500 1.805 1.770 1.875 0.030 9 0 "[ . 1 . 2 . 3]" 1
609 1 61 LEU H 1 61 LEU QD 3.000 . 5.900 2.720 1.982 2.926 . 0 0 "[ . 1 . 2 . 3]" 1
610 1 61 LEU QD 1 62 SER H 3.000 . 5.900 2.916 1.957 4.083 . 0 0 "[ . 1 . 2 . 3]" 1
611 1 66 LEU H 1 66 LEU HG 3.000 . 3.500 2.922 1.866 3.699 0.199 22 0 "[ . 1 . 2 . 3]" 1
612 1 66 LEU H 1 66 LEU QD 3.000 . 5.900 2.627 1.663 3.539 . 0 0 "[ . 1 . 2 . 3]" 1
613 1 66 LEU QD 1 67 GLU H 3.000 . 5.900 3.894 3.131 4.274 . 0 0 "[ . 1 . 2 . 3]" 1
614 1 25 GLN H 1 25 GLN HG3 3.000 . 3.500 3.384 3.055 3.495 . 0 0 "[ . 1 . 2 . 3]" 1
615 1 25 GLN H 1 25 GLN HG2 3.000 . 3.500 2.046 1.856 2.191 . 0 0 "[ . 1 . 2 . 3]" 1
616 1 52 GLN H 1 52 GLN QG 3.000 . 4.500 2.322 1.650 3.571 . 0 0 "[ . 1 . 2 . 3]" 1
617 1 58 GLN H 1 58 GLN HG3 4.000 . 5.000 3.876 2.453 4.727 . 0 0 "[ . 1 . 2 . 3]" 1
618 1 58 GLN H 1 58 GLN HG2 4.000 . 5.000 3.377 2.034 4.544 . 0 0 "[ . 1 . 2 . 3]" 1
619 1 64 GLN H 1 64 GLN HG3 3.000 . 3.500 2.841 1.974 3.507 0.007 18 0 "[ . 1 . 2 . 3]" 1
620 1 64 GLN H 1 64 GLN HG2 3.000 . 3.500 2.526 1.854 3.493 . 0 0 "[ . 1 . 2 . 3]" 1
621 1 26 ALA H 1 27 PHE QD 4.000 . 7.400 3.994 3.338 4.881 . 0 0 "[ . 1 . 2 . 3]" 1
622 1 27 PHE H 1 27 PHE QE 3.000 . 5.900 4.929 4.550 5.334 . 0 0 "[ . 1 . 2 . 3]" 1
623 1 52 GLN H 1 54 TYR QD 4.000 . 7.400 5.120 4.051 5.636 . 0 0 "[ . 1 . 2 . 3]" 1
624 1 54 TYR H 1 54 TYR QE 4.000 . 7.400 3.907 3.701 4.174 . 0 0 "[ . 1 . 2 . 3]" 1
625 1 54 TYR QD 1 55 TYR H 4.000 . 7.400 4.256 3.731 4.394 . 0 0 "[ . 1 . 2 . 3]" 1
626 1 55 TYR H 1 55 TYR QE 4.000 . 7.400 5.484 4.935 5.897 . 0 0 "[ . 1 . 2 . 3]" 1
627 1 55 TYR QD 1 56 GLU H 4.000 . 7.400 4.404 4.078 4.618 . 0 0 "[ . 1 . 2 . 3]" 1
628 1 68 LYS H 1 69 TYR QD 4.000 . 7.400 4.338 3.320 5.767 . 0 0 "[ . 1 . 2 . 3]" 1
629 1 69 TYR H 1 69 TYR QE 4.000 . 7.400 4.320 3.607 6.035 . 0 0 "[ . 1 . 2 . 3]" 1
630 1 71 ASP H 1 72 TYR QD 4.000 . 7.400 5.430 3.532 6.552 . 0 0 "[ . 1 . 2 . 3]" 1
631 1 72 TYR H 1 72 TYR QE 4.000 . 7.400 4.931 3.779 6.240 . 0 0 "[ . 1 . 2 . 3]" 1
632 1 27 PHE H 1 28 PRO HD3 3.000 . 3.500 2.651 2.454 2.849 . 0 0 "[ . 1 . 2 . 3]" 1
633 1 27 PHE H 1 28 PRO HD2 3.000 . 3.500 3.682 3.625 3.751 0.251 1 0 "[ . 1 . 2 . 3]" 1
634 1 27 PHE QD 1 30 MET H 4.000 . 7.400 4.590 4.102 4.828 . 0 0 "[ . 1 . 2 . 3]" 1
635 1 51 LYS H 1 53 PRO QD 4.000 . 6.000 3.653 3.212 4.371 . 0 0 "[ . 1 . 2 . 3]" 1
636 1 51 LYS H 1 54 TYR QD 4.000 . 7.400 4.780 4.391 5.321 . 0 0 "[ . 1 . 2 . 3]" 1
637 1 52 GLN H 1 53 PRO QD 3.000 . 4.500 2.100 2.026 2.231 . 0 0 "[ . 1 . 2 . 3]" 1
638 1 53 PRO QD 1 54 TYR H 4.000 . 6.000 2.417 2.206 2.658 . 0 0 "[ . 1 . 2 . 3]" 1
639 1 68 LYS H 1 70 PRO QD 4.000 . 6.000 3.939 2.767 5.195 . 0 0 "[ . 1 . 2 . 3]" 1
640 1 69 TYR H 1 70 PRO QD 3.000 . 4.500 2.884 1.641 3.835 . 0 0 "[ . 1 . 2 . 3]" 1
641 1 70 PRO QD 1 71 ASP H 3.000 . 4.500 2.792 2.346 3.322 . 0 0 "[ . 1 . 2 . 3]" 1
642 1 31 HIS H 1 31 HIS HD2 4.000 . 5.000 2.522 1.836 4.178 . 0 0 "[ . 1 . 2 . 3]" 1
643 1 47 THR H 1 47 THR MG 3.000 . 5.000 3.413 1.878 3.744 . 0 0 "[ . 1 . 2 . 3]" 1
644 1 15 TRP HZ3 1 40 GLY H 4.500 . 6.000 4.492 4.373 4.613 . 0 0 "[ . 1 . 2 . 3]" 1
645 1 15 TRP HZ3 1 43 TRP H 4.500 . 5.500 3.648 3.561 3.753 . 0 0 "[ . 1 . 2 . 3]" 1
646 1 15 TRP HH2 1 41 SER H 4.500 . 5.500 4.475 4.286 4.789 . 0 0 "[ . 1 . 2 . 3]" 1
647 1 15 TRP HH2 1 42 ARG H 3.500 . 4.000 2.993 2.849 3.292 . 0 0 "[ . 1 . 2 . 3]" 1
648 1 15 TRP HZ2 1 42 ARG H 4.500 . 5.500 4.786 4.498 5.184 . 0 0 "[ . 1 . 2 . 3]" 1
649 1 15 TRP HZ3 1 42 ARG H 4.500 . 5.500 4.641 4.523 4.838 . 0 0 "[ . 1 . 2 . 3]" 1
650 1 15 TRP HE3 1 43 TRP H 4.500 . 5.500 5.623 5.573 5.684 0.184 5 0 "[ . 1 . 2 . 3]" 1
651 1 15 TRP HZ3 1 39 LEU H 4.500 . 5.500 5.420 5.287 5.541 0.041 18 0 "[ . 1 . 2 . 3]" 1
652 1 11 ALA H 1 43 TRP HH2 4.500 . 5.500 5.050 4.559 5.464 . 0 0 "[ . 1 . 2 . 3]" 1
653 1 11 ALA H 1 43 TRP HZ2 4.500 . 5.500 4.754 4.108 5.311 . 0 0 "[ . 1 . 2 . 3]" 1
654 1 14 VAL H 1 43 TRP HZ3 4.500 . 5.500 5.723 5.659 5.787 0.287 29 0 "[ . 1 . 2 . 3]" 1
655 1 16 ALA H 1 43 TRP HZ3 4.500 . 5.500 4.304 4.117 4.387 . 0 0 "[ . 1 . 2 . 3]" 1
656 1 12 PHE H 1 43 TRP HH2 4.500 . 5.500 4.249 4.048 4.431 . 0 0 "[ . 1 . 2 . 3]" 1
657 1 12 PHE H 1 43 TRP HZ2 3.500 . 4.000 3.942 3.537 4.059 0.059 25 0 "[ . 1 . 2 . 3]" 1
658 1 12 PHE H 1 43 TRP HZ3 4.500 . 5.500 5.185 5.012 5.323 . 0 0 "[ . 1 . 2 . 3]" 1
659 1 12 PHE H 1 43 TRP HE1 4.500 . 5.500 5.145 4.728 5.469 . 0 0 "[ . 1 . 2 . 3]" 1
660 1 15 TRP H 1 43 TRP HZ3 3.500 . 4.000 3.860 3.772 3.947 . 0 0 "[ . 1 . 2 . 3]" 1
661 1 15 TRP H 1 43 TRP HE3 4.500 . 5.500 5.172 5.060 5.305 . 0 0 "[ . 1 . 2 . 3]" 1
662 1 15 TRP H 1 43 TRP HH2 4.500 . 5.500 4.523 4.359 4.648 . 0 0 "[ . 1 . 2 . 3]" 1
663 1 16 ALA H 1 43 TRP HE3 4.500 . 5.500 4.527 4.452 4.647 . 0 0 "[ . 1 . 2 . 3]" 1
664 1 11 ALA H 1 55 TYR QD 4.500 . 7.900 4.008 3.162 4.655 . 0 0 "[ . 1 . 2 . 3]" 1
665 1 11 ALA H 1 55 TYR QE 4.500 . 7.900 3.754 2.833 4.534 . 0 0 "[ . 1 . 2 . 3]" 1
666 1 12 PHE H 1 55 TYR QD 4.500 . 7.900 5.506 4.824 6.240 . 0 0 "[ . 1 . 2 . 3]" 1
667 1 12 PHE H 1 55 TYR QE 3.500 . 6.400 4.864 4.358 5.747 . 0 0 "[ . 1 . 2 . 3]" 1
668 1 24 LEU MD1 1 29 ASP H 3.500 . 5.500 4.220 3.832 4.473 . 0 0 "[ . 1 . 2 . 3]" 1
669 1 24 LEU MD2 1 29 ASP H 4.500 . 7.000 5.806 5.555 5.922 . 0 0 "[ . 1 . 2 . 3]" 1
670 1 24 LEU MD1 1 30 MET H 3.500 . 5.500 3.832 3.522 4.213 . 0 0 "[ . 1 . 2 . 3]" 1
671 1 17 LYS H 1 39 LEU MD2 3.500 . 5.500 4.376 4.207 4.472 . 0 0 "[ . 1 . 2 . 3]" 1
672 1 16 ALA H 1 39 LEU MD2 4.500 . 7.000 4.213 4.108 4.286 . 0 0 "[ . 1 . 2 . 3]" 1
673 1 19 GLU H 1 39 LEU MD2 3.500 . 5.500 3.526 3.413 3.663 . 0 0 "[ . 1 . 2 . 3]" 1
674 1 21 ARG H 1 39 LEU MD1 4.500 . 7.000 4.764 4.554 5.189 . 0 0 "[ . 1 . 2 . 3]" 1
675 1 21 ARG H 1 39 LEU MD2 4.500 . 7.000 4.252 4.036 4.544 . 0 0 "[ . 1 . 2 . 3]" 1
676 1 12 PHE QD 1 43 TRP H 3.500 . 6.400 4.342 4.122 5.436 . 0 0 "[ . 1 . 2 . 3]" 1
677 1 12 PHE QD 1 44 LYS H 4.500 . 7.900 5.177 4.926 5.457 . 0 0 "[ . 1 . 2 . 3]" 1
678 1 14 VAL MG1 1 58 GLN H 3.500 . 5.500 3.589 3.110 4.216 . 0 0 "[ . 1 . 2 . 3]" 1
679 1 14 VAL MG2 1 58 GLN H 4.500 . 7.000 3.836 3.531 4.305 . 0 0 "[ . 1 . 2 . 3]" 1
680 1 14 VAL MG1 1 59 ALA H 4.500 . 7.000 5.451 5.009 5.846 . 0 0 "[ . 1 . 2 . 3]" 1
681 1 14 VAL MG2 1 59 ALA H 4.500 . 7.000 4.892 4.403 5.483 . 0 0 "[ . 1 . 2 . 3]" 1
682 1 14 VAL MG1 1 54 TYR H 4.500 . 7.000 4.990 4.742 5.193 . 0 0 "[ . 1 . 2 . 3]" 1
683 1 20 ARG H 1 35 ILE MG 3.500 . 5.500 4.342 4.080 4.583 . 0 0 "[ . 1 . 2 . 3]" 1
684 1 20 ARG H 1 35 ILE MD 4.500 . 7.000 5.709 5.601 5.795 . 0 0 "[ . 1 . 2 . 3]" 1
685 1 27 PHE H 1 35 ILE MD 3.500 . 5.500 4.486 4.382 4.604 . 0 0 "[ . 1 . 2 . 3]" 1
686 1 20 ARG H 1 38 ILE MG 4.500 . 7.000 5.605 5.316 5.738 . 0 0 "[ . 1 . 2 . 3]" 1
687 1 20 ARG H 1 39 LEU HA 4.500 . 5.500 5.628 5.558 5.729 0.229 17 0 "[ . 1 . 2 . 3]" 1
688 1 15 TRP HE1 1 39 LEU MD2 4.500 . 7.000 5.640 5.426 5.793 . 0 0 "[ . 1 . 2 . 3]" 1
689 1 15 TRP HE1 1 42 ARG QB 4.500 . 6.500 4.591 4.374 4.889 . 0 0 "[ . 1 . 2 . 3]" 1
690 1 15 TRP HE1 1 43 TRP HH2 4.500 . 6.000 6.374 6.309 6.416 0.416 16 0 "[ . 1 . 2 . 3]" 1
691 1 15 TRP HE1 1 43 TRP HZ3 4.500 . 5.500 4.213 4.170 4.280 . 0 0 "[ . 1 . 2 . 3]" 1
692 1 15 TRP HE1 1 43 TRP HE3 4.500 . 5.500 4.207 4.036 4.554 . 0 0 "[ . 1 . 2 . 3]" 1
693 1 15 TRP HE1 1 46 MET ME 3.500 . 5.500 3.644 3.128 4.380 . 0 0 "[ . 1 . 2 . 3]" 1
694 1 15 TRP HE1 1 54 TYR QE 3.500 . 6.400 3.948 3.504 5.240 . 0 0 "[ . 1 . 2 . 3]" 1
695 1 43 TRP HE1 1 55 TYR QD 4.500 . 7.900 6.781 6.086 7.356 . 0 0 "[ . 1 . 2 . 3]" 1
696 1 43 TRP HE1 1 55 TYR QE 4.500 . 7.900 5.072 3.998 6.270 . 0 0 "[ . 1 . 2 . 3]" 1
697 1 4 HIS H 1 4 HIS HB2 3.500 . 4.000 3.353 2.166 4.033 0.033 2 0 "[ . 1 . 2 . 3]" 1
698 1 4 HIS H 1 4 HIS HB3 3.500 . 4.000 3.447 2.701 4.052 0.052 18 0 "[ . 1 . 2 . 3]" 1
699 1 65 HIS H 1 65 HIS HB2 3.500 . 4.000 2.579 2.262 2.794 . 0 0 "[ . 1 . 2 . 3]" 1
700 1 65 HIS H 1 65 HIS HB3 3.500 . 4.000 2.574 2.378 2.930 . 0 0 "[ . 1 . 2 . 3]" 1
701 1 17 LYS H 1 18 ASP HB2 4.500 . 5.500 4.759 4.468 5.698 0.198 17 0 "[ . 1 . 2 . 3]" 1
702 1 17 LYS H 1 18 ASP HB3 4.500 . 5.500 5.381 4.913 5.789 0.289 30 0 "[ . 1 . 2 . 3]" 1
703 1 18 ASP H 1 19 GLU HB2 4.500 . 5.500 3.783 3.699 3.900 . 0 0 "[ . 1 . 2 . 3]" 1
704 1 18 ASP H 1 19 GLU HB3 4.500 . 5.500 5.115 5.013 5.309 . 0 0 "[ . 1 . 2 . 3]" 1
705 1 20 ARG H 1 21 ARG HB2 4.500 . 5.500 4.771 4.086 5.788 0.288 17 0 "[ . 1 . 2 . 3]" 1
706 1 20 ARG H 1 21 ARG HB3 4.500 . 5.500 5.042 4.136 5.693 0.193 13 0 "[ . 1 . 2 . 3]" 1
707 1 23 ILE H 1 24 LEU HB2 4.500 . 5.500 4.149 3.967 4.335 . 0 0 "[ . 1 . 2 . 3]" 1
708 1 23 ILE H 1 24 LEU HB3 4.500 . 5.500 4.596 4.325 4.772 . 0 0 "[ . 1 . 2 . 3]" 1
709 1 27 PHE H 1 28 PRO QB 4.500 . 6.500 4.608 4.430 4.781 . 0 0 "[ . 1 . 2 . 3]" 1
710 1 42 ARG H 1 43 TRP HB2 3.500 . 4.000 4.141 4.109 4.196 0.196 25 0 "[ . 1 . 2 . 3]" 1
711 1 42 ARG H 1 43 TRP HB3 3.500 . 4.000 4.218 4.169 4.258 0.258 19 0 "[ . 1 . 2 . 3]" 1
712 1 46 MET HB2 1 47 THR H 4.500 . 5.500 2.299 1.773 3.449 0.027 28 0 "[ . 1 . 2 . 3]" 1
713 1 46 MET HB3 1 47 THR H 4.500 . 5.500 2.650 1.754 3.628 0.046 21 0 "[ . 1 . 2 . 3]" 1
714 1 47 THR HB 1 48 ASN H 3.500 . 4.000 3.849 1.892 4.173 0.173 15 0 "[ . 1 . 2 . 3]" 1
715 1 64 GLN QB 1 65 HIS H 3.500 . 5.000 3.182 2.390 3.880 . 0 0 "[ . 1 . 2 . 3]" 1
716 1 10 ASN QB 1 12 PHE H 4.500 . 6.500 2.790 2.036 3.451 . 0 0 "[ . 1 . 2 . 3]" 1
717 1 14 VAL HB 1 16 ALA H 4.500 . 5.500 4.598 4.401 4.693 . 0 0 "[ . 1 . 2 . 3]" 1
718 1 17 LYS H 1 19 GLU HB2 4.500 . 5.500 4.485 4.281 4.597 . 0 0 "[ . 1 . 2 . 3]" 1
719 1 17 LYS H 1 19 GLU HB3 4.500 . 5.500 5.647 5.617 5.756 0.256 23 0 "[ . 1 . 2 . 3]" 1
720 1 18 ASP HB2 1 20 ARG H 4.500 . 5.500 5.372 4.905 5.531 0.031 21 0 "[ . 1 . 2 . 3]" 1
721 1 18 ASP HB3 1 20 ARG H 4.500 . 5.500 5.057 4.793 5.622 0.122 30 0 "[ . 1 . 2 . 3]" 1
722 1 47 THR HB 1 49 LEU H 4.500 . 5.500 3.093 2.771 4.390 . 0 0 "[ . 1 . 2 . 3]" 1
723 1 16 ALA H 1 19 GLU QB 4.500 . 6.500 4.010 3.879 4.151 . 0 0 "[ . 1 . 2 . 3]" 1
724 1 31 HIS H 1 34 ASN HB2 4.500 . 5.500 3.453 2.962 4.809 . 0 0 "[ . 1 . 2 . 3]" 1
725 1 31 HIS H 1 34 ASN HB3 4.500 . 5.500 4.283 3.563 5.311 . 0 0 "[ . 1 . 2 . 3]" 1
726 1 31 HIS QB 1 34 ASN H 3.500 . 5.000 4.281 2.800 4.571 . 0 0 "[ . 1 . 2 . 3]" 1
727 1 47 THR H 1 50 GLU HB2 4.500 . 5.500 3.133 2.341 4.205 . 0 0 "[ . 1 . 2 . 3]" 1
728 1 47 THR H 1 50 GLU HB3 4.500 . 5.500 3.472 2.701 4.229 . 0 0 "[ . 1 . 2 . 3]" 1
729 1 47 THR HB 1 50 GLU H 4.500 . 5.500 3.305 2.570 4.259 . 0 0 "[ . 1 . 2 . 3]" 1
730 1 16 ALA MB 1 20 ARG H 4.500 . 7.000 3.888 3.735 4.030 . 0 0 "[ . 1 . 2 . 3]" 1
731 1 27 PHE QB 1 31 HIS H 4.500 . 6.500 5.528 4.024 5.794 . 0 0 "[ . 1 . 2 . 3]" 1
732 1 47 THR HB 1 51 LYS H 4.500 . 5.500 5.572 5.498 5.825 0.325 29 0 "[ . 1 . 2 . 3]" 1
733 1 30 MET HG3 1 31 HIS H 3.500 . 4.000 4.004 3.503 4.247 0.247 26 0 "[ . 1 . 2 . 3]" 1
734 1 30 MET HG2 1 31 HIS H 3.500 . 4.000 4.060 3.352 4.170 0.170 18 0 "[ . 1 . 2 . 3]" 1
735 1 42 ARG HG3 1 43 TRP H 4.500 . 5.500 4.785 3.467 4.931 . 0 0 "[ . 1 . 2 . 3]" 1
736 1 42 ARG HG2 1 43 TRP H 4.500 . 5.500 4.549 4.040 4.751 . 0 0 "[ . 1 . 2 . 3]" 1
737 1 46 MET H 1 47 THR MG 4.500 . 6.500 5.335 5.249 5.437 . 0 0 "[ . 1 . 2 . 3]" 1
738 1 46 MET HG3 1 47 THR H 4.500 . 5.500 3.498 2.128 4.571 . 0 0 "[ . 1 . 2 . 3]" 1
739 1 46 MET HG2 1 47 THR H 4.500 . 5.500 3.963 3.373 4.496 . 0 0 "[ . 1 . 2 . 3]" 1
740 1 64 GLN QG 1 65 HIS H 3.500 . 5.000 3.281 1.841 4.497 . 0 0 "[ . 1 . 2 . 3]" 1
741 1 47 THR H 1 50 GLU QG 4.500 . 6.500 4.469 3.918 5.031 . 0 0 "[ . 1 . 2 . 3]" 1
742 1 3 PRO HA 1 4 HIS H 3.500 . 4.000 3.367 2.571 3.591 . 0 0 "[ . 1 . 2 . 3]" 1
743 1 8 PRO HA 1 9 MET H 2.500 . 2.700 2.531 2.264 2.986 0.286 19 0 "[ . 1 . 2 . 3]" 1
744 1 12 PHE H 1 13 MET HA 4.500 . 5.500 5.411 5.351 5.525 0.025 26 0 "[ . 1 . 2 . 3]" 1
745 1 22 LYS H 1 23 ILE HA 4.500 . 5.500 5.172 5.132 5.237 . 0 0 "[ . 1 . 2 . 3]" 1
746 1 36 SER HA 1 37 LYS H 3.500 . 4.000 3.572 3.550 3.601 . 0 0 "[ . 1 . 2 . 3]" 1
747 1 46 MET HA 1 47 THR H 3.500 . 4.000 3.066 2.668 3.377 . 0 0 "[ . 1 . 2 . 3]" 1
748 1 27 PHE HA 1 29 ASP H 4.500 . 5.500 3.052 2.989 3.111 . 0 0 "[ . 1 . 2 . 3]" 1
749 1 46 MET HA 1 48 ASN H 4.500 . 5.500 5.128 4.361 5.782 0.282 28 0 "[ . 1 . 2 . 3]" 1
750 1 69 TYR HA 1 71 ASP H 4.500 . 5.500 4.634 4.116 5.593 0.093 15 0 "[ . 1 . 2 . 3]" 1
751 1 29 ASP HA 1 31 HIS H 4.500 . 5.500 4.531 3.434 4.914 . 0 0 "[ . 1 . 2 . 3]" 1
752 1 42 ARG HA 1 44 LYS H 4.500 . 5.500 4.881 4.735 4.994 . 0 0 "[ . 1 . 2 . 3]" 1
753 1 27 PHE HA 1 30 MET H 4.500 . 5.500 3.650 3.405 3.757 . 0 0 "[ . 1 . 2 . 3]" 1
754 1 47 THR H 1 50 GLU HA 4.500 . 5.500 5.553 5.174 5.811 0.311 25 0 "[ . 1 . 2 . 3]" 1
755 1 21 ARG HA 1 25 GLN H 4.500 . 5.500 4.065 3.696 4.284 . 0 0 "[ . 1 . 2 . 3]" 1
756 1 54 TYR HA 1 58 GLN H 4.500 . 5.500 4.609 4.257 5.168 . 0 0 "[ . 1 . 2 . 3]" 1
757 1 12 PHE HA 1 16 ALA H 4.500 . 5.500 3.326 3.203 3.468 . 0 0 "[ . 1 . 2 . 3]" 1
758 1 12 PHE HB2 1 16 ALA H 4.500 . 5.500 5.388 5.245 5.527 0.027 28 0 "[ . 1 . 2 . 3]" 1
759 1 12 PHE HB3 1 16 ALA H 4.500 . 5.500 5.370 5.172 5.495 . 0 0 "[ . 1 . 2 . 3]" 1
760 1 31 HIS H 1 32 ASN H 4.500 . 5.500 4.364 2.803 4.638 . 0 0 "[ . 1 . 2 . 3]" 1
761 1 47 THR H 1 48 ASN H 3.500 . 4.000 2.549 1.773 4.031 0.031 25 0 "[ . 1 . 2 . 3]" 1
762 1 29 ASP H 1 31 HIS H 4.500 . 5.500 5.400 3.641 5.691 0.191 30 0 "[ . 1 . 2 . 3]" 1
763 1 34 ASN H 1 36 SER H 4.500 . 5.500 3.486 3.328 3.670 . 0 0 "[ . 1 . 2 . 3]" 1
764 1 47 THR H 1 49 LEU H 4.500 . 5.500 4.637 4.221 5.134 . 0 0 "[ . 1 . 2 . 3]" 1
765 1 31 HIS H 1 34 ASN H 4.500 . 5.500 4.273 4.012 5.303 . 0 0 "[ . 1 . 2 . 3]" 1
766 1 47 THR H 1 50 GLU H 4.500 . 5.500 3.585 3.158 3.933 . 0 0 "[ . 1 . 2 . 3]" 1
767 1 15 TRP HE1 1 16 ALA MB 4.500 . 7.000 5.924 5.869 5.964 . 0 0 "[ . 1 . 2 . 3]" 1
768 1 15 TRP HE1 1 19 GLU QB 4.500 . 6.500 4.308 4.082 4.607 . 0 0 "[ . 1 . 2 . 3]" 1
769 1 31 HIS H 1 34 ASN HD21 4.500 . 5.500 4.828 2.674 5.665 0.165 26 0 "[ . 1 . 2 . 3]" 1
770 1 3 PRO QD 1 5 ILE H 4.500 . 6.500 4.880 3.615 5.864 . 0 0 "[ . 1 . 2 . 3]" 1
771 1 28 PRO HD3 1 29 ASP H 4.500 . 5.500 3.948 3.829 4.017 . 0 0 "[ . 1 . 2 . 3]" 1
772 1 28 PRO HD2 1 29 ASP H 4.500 . 5.500 2.861 2.674 2.964 . 0 0 "[ . 1 . 2 . 3]" 1
773 1 28 PRO HD3 1 30 MET H 4.500 . 5.500 5.318 5.167 5.387 . 0 0 "[ . 1 . 2 . 3]" 1
774 1 28 PRO HD2 1 30 MET H 4.500 . 5.500 4.383 4.140 4.465 . 0 0 "[ . 1 . 2 . 3]" 1
775 1 53 PRO QD 1 55 TYR H 4.500 . 6.500 3.779 3.425 4.127 . 0 0 "[ . 1 . 2 . 3]" 1
776 1 53 PRO QD 1 56 GLU H 4.500 . 6.500 5.358 4.902 5.749 . 0 0 "[ . 1 . 2 . 3]" 1
777 1 12 PHE QD 1 16 ALA H 4.500 . 7.900 4.203 3.837 4.495 . 0 0 "[ . 1 . 2 . 3]" 1
778 1 12 PHE QE 1 16 ALA H 4.500 . 7.900 5.144 4.979 5.309 . 0 0 "[ . 1 . 2 . 3]" 1
779 1 12 PHE H 1 14 VAL MG1 4.500 . 7.000 5.259 5.145 5.407 . 0 0 "[ . 1 . 2 . 3]" 1
780 1 14 VAL MG1 1 16 ALA H 4.500 . 7.000 4.619 4.492 4.715 . 0 0 "[ . 1 . 2 . 3]" 1
781 1 14 VAL MG2 1 16 ALA H 4.500 . 7.000 5.281 5.108 5.364 . 0 0 "[ . 1 . 2 . 3]" 1
782 1 15 TRP HA 1 15 TRP HE1 4.500 . 6.000 5.656 5.592 5.765 . 0 0 "[ . 1 . 2 . 3]" 1
783 1 15 TRP HD1 1 16 ALA H 4.500 . 5.500 5.517 5.468 5.568 0.068 5 0 "[ . 1 . 2 . 3]" 1
784 1 42 ARG H 1 43 TRP HE3 4.500 . 6.000 6.065 5.982 6.103 0.103 21 0 "[ . 1 . 2 . 3]" 1
785 1 43 TRP HE1 1 44 LYS HA 4.500 . 5.500 5.198 4.946 5.430 . 0 0 "[ . 1 . 2 . 3]" 1
786 1 43 TRP HE3 1 44 LYS H 4.500 . 5.500 5.435 5.248 5.558 0.058 19 0 "[ . 1 . 2 . 3]" 1
787 1 20 ARG H 1 20 ARG HD3 4.500 . 5.500 4.972 4.436 5.575 0.075 13 0 "[ . 1 . 2 . 3]" 1
788 1 20 ARG H 1 20 ARG HD2 4.500 . 5.500 4.706 4.138 5.558 0.058 29 0 "[ . 1 . 2 . 3]" 1
789 1 20 ARG H 1 23 ILE MG 4.500 . 7.000 5.265 5.132 5.392 . 0 0 "[ . 1 . 2 . 3]" 1
790 1 21 ARG H 1 23 ILE MD 4.500 . 7.000 5.588 5.194 5.714 . 0 0 "[ . 1 . 2 . 3]" 1
791 1 35 ILE MG 1 37 LYS H 4.500 . 7.000 4.937 4.808 5.085 . 0 0 "[ . 1 . 2 . 3]" 1
792 1 35 ILE MD 1 37 LYS H 4.500 . 7.000 5.798 5.752 5.841 . 0 0 "[ . 1 . 2 . 3]" 1
793 1 36 SER H 1 38 ILE MD 3.500 . 5.500 4.096 3.811 4.304 . 0 0 "[ . 1 . 2 . 3]" 1
794 1 38 ILE MG 1 40 GLY H 4.500 . 7.000 4.852 4.667 4.983 . 0 0 "[ . 1 . 2 . 3]" 1
795 1 38 ILE QG 1 41 SER H 4.500 . 7.000 5.511 5.304 5.708 . 0 0 "[ . 1 . 2 . 3]" 1
796 1 38 ILE MG 1 41 SER H 4.500 . 7.000 4.343 4.149 4.500 . 0 0 "[ . 1 . 2 . 3]" 1
797 1 38 ILE MG 1 42 ARG H 3.500 . 5.500 4.092 3.926 4.245 . 0 0 "[ . 1 . 2 . 3]" 1
798 1 38 ILE MD 1 39 LEU H 3.500 . 5.500 3.880 3.643 4.037 . 0 0 "[ . 1 . 2 . 3]" 1
799 1 24 LEU MD1 1 25 GLN H 3.500 . 5.500 4.665 4.615 4.726 . 0 0 "[ . 1 . 2 . 3]" 1
800 1 24 LEU MD2 1 25 GLN H 3.500 . 5.500 4.426 4.211 4.551 . 0 0 "[ . 1 . 2 . 3]" 1
801 1 24 LEU MD1 1 26 ALA H 4.500 . 7.000 5.550 5.406 5.679 . 0 0 "[ . 1 . 2 . 3]" 1
802 1 24 LEU MD2 1 26 ALA H 4.500 . 7.000 6.006 5.918 6.070 . 0 0 "[ . 1 . 2 . 3]" 1
803 1 38 ILE H 1 39 LEU MD2 4.500 . 7.000 5.495 5.370 5.635 . 0 0 "[ . 1 . 2 . 3]" 1
804 1 39 LEU MD1 1 41 SER H 4.500 . 7.000 5.860 5.810 5.893 . 0 0 "[ . 1 . 2 . 3]" 1
805 1 39 LEU MD2 1 41 SER H 4.500 . 7.000 5.030 4.891 5.116 . 0 0 "[ . 1 . 2 . 3]" 1
806 1 39 LEU MD1 1 42 ARG H 4.500 . 7.000 5.970 5.942 6.014 . 0 0 "[ . 1 . 2 . 3]" 1
807 1 39 LEU MD2 1 42 ARG H 4.500 . 7.000 4.421 4.292 4.523 . 0 0 "[ . 1 . 2 . 3]" 1
808 1 49 LEU H 1 49 LEU MD1 3.500 . 5.500 3.808 1.897 4.285 . 0 0 "[ . 1 . 2 . 3]" 1
809 1 49 LEU H 1 49 LEU MD2 3.500 . 5.500 3.830 1.776 4.394 . 0 0 "[ . 1 . 2 . 3]" 1
810 1 46 MET ME 1 48 ASN H 4.500 . 7.000 3.958 2.874 5.152 . 0 0 "[ . 1 . 2 . 3]" 1
811 1 46 MET ME 1 47 THR H 3.500 . 5.500 3.080 1.947 4.072 . 0 0 "[ . 1 . 2 . 3]" 1
812 1 46 MET ME 1 49 LEU H 4.500 . 7.000 5.662 4.859 5.845 . 0 0 "[ . 1 . 2 . 3]" 1
813 1 46 MET ME 1 50 GLU H 4.500 . 7.000 4.126 3.618 5.136 . 0 0 "[ . 1 . 2 . 3]" 1
814 1 47 THR MG 1 48 ASN H 3.500 . 5.500 4.136 1.977 4.456 . 0 0 "[ . 1 . 2 . 3]" 1
815 1 47 THR MG 1 49 LEU H 3.500 . 5.500 4.410 2.552 4.635 . 0 0 "[ . 1 . 2 . 3]" 1
816 1 47 THR MG 1 50 GLU H 4.500 . 7.000 4.466 1.643 5.121 . 0 0 "[ . 1 . 2 . 3]" 1
817 1 4 HIS HD2 1 69 TYR HA 6.000 . 7.000 6.566 4.660 7.039 0.039 8 0 "[ . 1 . 2 . 3]" 1
818 1 30 MET HA 1 35 ILE MD 4.500 . 7.000 4.504 4.224 5.065 . 0 0 "[ . 1 . 2 . 3]" 1
819 1 6 LYS HA 1 65 HIS HD2 4.500 . 5.500 4.293 1.897 5.546 0.046 10 0 "[ . 1 . 2 . 3]" 1
820 1 7 ARG HA 1 65 HIS HD2 6.000 . 7.000 5.288 1.849 7.013 0.013 11 0 "[ . 1 . 2 . 3]" 1
821 1 5 ILE HA 1 69 TYR QD 6.000 . 9.400 5.698 3.854 7.908 . 0 0 "[ . 1 . 2 . 3]" 1
822 1 5 ILE HA 1 69 TYR QE 4.500 . 7.900 5.301 3.129 7.306 . 0 0 "[ . 1 . 2 . 3]" 1
823 1 5 ILE HG13 1 69 TYR QD 6.000 . 9.400 6.963 3.623 8.383 . 0 0 "[ . 1 . 2 . 3]" 1
824 1 5 ILE HG12 1 69 TYR QD 6.000 . 9.400 6.528 3.643 8.194 . 0 0 "[ . 1 . 2 . 3]" 1
825 1 5 ILE MG 1 69 TYR QD 4.500 . 9.400 5.409 1.818 7.083 . 0 0 "[ . 1 . 2 . 3]" 1
826 1 5 ILE MG 1 65 HIS HE1 4.500 . 7.000 4.499 1.862 5.879 . 0 0 "[ . 1 . 2 . 3]" 1
827 1 23 ILE HA 1 35 ILE MG 4.500 . 7.000 5.767 5.693 5.826 . 0 0 "[ . 1 . 2 . 3]" 1
828 1 23 ILE HA 1 35 ILE MD 4.500 . 7.000 4.676 4.603 4.775 . 0 0 "[ . 1 . 2 . 3]" 1
829 1 23 ILE MD 1 39 LEU HA 4.500 . 7.000 4.455 3.606 5.048 . 0 0 "[ . 1 . 2 . 3]" 1
830 1 23 ILE MD 1 42 ARG HD3 6.000 . 8.500 3.481 1.878 4.496 . 0 0 "[ . 1 . 2 . 3]" 1
831 1 23 ILE MD 1 42 ARG HD2 6.000 . 8.500 2.335 1.839 3.684 . 0 0 "[ . 1 . 2 . 3]" 1
832 1 11 ALA HA 1 43 TRP HH2 4.500 . 5.500 4.331 3.977 4.621 . 0 0 "[ . 1 . 2 . 3]" 1
833 1 11 ALA HA 1 43 TRP HZ2 4.500 . 5.500 5.447 5.036 5.583 0.083 16 0 "[ . 1 . 2 . 3]" 1
834 1 11 ALA HA 1 43 TRP HZ3 6.000 . 7.000 5.487 5.208 5.777 . 0 0 "[ . 1 . 2 . 3]" 1
835 1 11 ALA HA 1 54 TYR QB 4.500 . 6.500 3.004 2.540 3.451 . 0 0 "[ . 1 . 2 . 3]" 1
836 1 11 ALA HA 1 54 TYR QD 4.500 . 7.900 5.074 4.496 5.511 . 0 0 "[ . 1 . 2 . 3]" 1
837 1 11 ALA HA 1 54 TYR QE 6.000 . 9.400 7.154 6.639 7.581 . 0 0 "[ . 1 . 2 . 3]" 1
838 1 11 ALA HA 1 55 TYR QD 6.000 . 9.400 4.410 3.781 5.147 . 0 0 "[ . 1 . 2 . 3]" 1
839 1 11 ALA HA 1 55 TYR QE 6.000 . 9.400 5.268 4.659 5.781 . 0 0 "[ . 1 . 2 . 3]" 1
840 1 11 ALA MB 1 43 TRP HH2 3.000 . 5.000 2.065 1.823 2.461 . 0 0 "[ . 1 . 2 . 3]" 1
841 1 11 ALA MB 1 43 TRP HE1 6.000 . 8.500 4.954 4.594 5.258 . 0 0 "[ . 1 . 2 . 3]" 1
842 1 11 ALA MB 1 43 TRP HE3 6.000 . 8.500 5.424 5.170 5.665 . 0 0 "[ . 1 . 2 . 3]" 1
843 1 11 ALA MB 1 43 TRP HZ2 2.500 . 4.200 2.666 2.365 2.929 . 0 0 "[ . 1 . 2 . 3]" 1
844 1 11 ALA MB 1 43 TRP HZ3 4.500 . 7.000 3.857 3.443 4.192 . 0 0 "[ . 1 . 2 . 3]" 1
845 1 11 ALA MB 1 54 TYR QB 3.000 . 6.000 1.918 1.738 2.418 . 0 0 "[ . 1 . 2 . 3]" 1
846 1 11 ALA MB 1 54 TYR QD 4.500 . 9.400 3.454 3.004 4.171 . 0 0 "[ . 1 . 2 . 3]" 1
847 1 11 ALA MB 1 54 TYR QE 4.500 . 9.400 5.355 4.923 5.883 . 0 0 "[ . 1 . 2 . 3]" 1
848 1 11 ALA MB 1 55 TYR QD 2.500 . 6.600 2.289 1.714 3.070 . 0 0 "[ . 1 . 2 . 3]" 1
849 1 11 ALA MB 1 55 TYR QE 2.500 . 6.600 2.732 1.885 3.686 . 0 0 "[ . 1 . 2 . 3]" 1
850 1 16 ALA HA 1 39 LEU MD2 3.000 . 5.000 2.045 1.843 2.192 . 0 0 "[ . 1 . 2 . 3]" 1
851 1 16 ALA MB 1 43 TRP HE3 6.000 . 8.500 3.950 3.810 4.030 . 0 0 "[ . 1 . 2 . 3]" 1
852 1 16 ALA MB 1 43 TRP HZ3 6.000 . 8.500 4.815 4.591 4.928 . 0 0 "[ . 1 . 2 . 3]" 1
853 1 12 PHE HA 1 43 TRP HZ3 4.500 . 5.500 3.106 2.925 3.334 . 0 0 "[ . 1 . 2 . 3]" 1
854 1 12 PHE HB2 1 43 TRP HD1 6.000 . 7.000 4.070 3.600 4.873 . 0 0 "[ . 1 . 2 . 3]" 1
855 1 12 PHE HB3 1 43 TRP HD1 6.000 . 7.000 5.527 4.992 6.287 . 0 0 "[ . 1 . 2 . 3]" 1
856 1 12 PHE HB2 1 43 TRP HE1 6.000 . 7.000 3.399 2.964 3.896 . 0 0 "[ . 1 . 2 . 3]" 1
857 1 12 PHE HB3 1 43 TRP HE1 6.000 . 7.000 4.852 4.319 5.604 . 0 0 "[ . 1 . 2 . 3]" 1
858 1 12 PHE HB2 1 43 TRP HE3 6.000 . 7.000 4.342 4.058 5.067 . 0 0 "[ . 1 . 2 . 3]" 1
859 1 12 PHE HB3 1 43 TRP HE3 6.000 . 7.000 5.690 5.487 6.089 . 0 0 "[ . 1 . 2 . 3]" 1
860 1 12 PHE HB2 1 43 TRP HH2 6.000 . 7.000 4.663 4.374 4.924 . 0 0 "[ . 1 . 2 . 3]" 1
861 1 12 PHE HB3 1 43 TRP HH2 6.000 . 7.000 5.669 5.363 6.024 . 0 0 "[ . 1 . 2 . 3]" 1
862 1 12 PHE HB2 1 43 TRP HZ2 4.500 . 5.500 3.720 3.374 4.103 . 0 0 "[ . 1 . 2 . 3]" 1
863 1 12 PHE HB3 1 43 TRP HZ2 4.500 . 5.500 4.929 4.535 5.446 . 0 0 "[ . 1 . 2 . 3]" 1
864 1 12 PHE QD 1 36 SER HA 6.000 . 9.400 6.790 6.301 7.315 . 0 0 "[ . 1 . 2 . 3]" 1
865 1 12 PHE QD 1 39 LEU H 6.000 . 9.400 6.970 6.717 7.248 . 0 0 "[ . 1 . 2 . 3]" 1
866 1 12 PHE QD 1 39 LEU HA 6.000 . 9.400 5.425 5.138 6.261 . 0 0 "[ . 1 . 2 . 3]" 1
867 1 12 PHE QD 1 39 LEU HB2 4.500 . 7.900 5.265 4.908 5.518 . 0 0 "[ . 1 . 2 . 3]" 1
868 1 12 PHE QD 1 39 LEU HB3 4.500 . 7.900 4.039 3.748 4.300 . 0 0 "[ . 1 . 2 . 3]" 1
869 1 12 PHE QD 1 39 LEU HG 6.000 . 9.400 6.683 6.493 6.911 . 0 0 "[ . 1 . 2 . 3]" 1
870 1 12 PHE QD 1 39 LEU MD2 4.500 . 9.400 4.741 4.425 5.034 . 0 0 "[ . 1 . 2 . 3]" 1
871 1 12 PHE QD 1 40 GLY H 6.000 . 9.400 5.268 4.978 5.725 . 0 0 "[ . 1 . 2 . 3]" 1
872 1 12 PHE QD 1 40 GLY QA 4.500 . 8.900 3.714 3.355 4.066 . 0 0 "[ . 1 . 2 . 3]" 1
873 1 12 PHE QD 1 43 TRP HA 4.500 . 7.900 3.816 3.528 4.909 . 0 0 "[ . 1 . 2 . 3]" 1
874 1 12 PHE QD 1 43 TRP HB2 4.500 . 7.900 2.068 1.824 3.345 . 0 0 "[ . 1 . 2 . 3]" 1
875 1 12 PHE QD 1 43 TRP HB3 4.500 . 7.900 3.298 2.964 3.587 . 0 0 "[ . 1 . 2 . 3]" 1
876 1 12 PHE QD 1 43 TRP HD1 4.500 . 7.900 3.922 2.700 4.478 . 0 0 "[ . 1 . 2 . 3]" 1
877 1 12 PHE QD 1 43 TRP HE1 4.500 . 7.900 4.508 3.079 5.087 . 0 0 "[ . 1 . 2 . 3]" 1
878 1 12 PHE QD 1 43 TRP HE3 4.500 . 7.900 2.852 2.443 4.371 . 0 0 "[ . 1 . 2 . 3]" 1
879 1 12 PHE QD 1 43 TRP HH2 6.000 . 9.400 5.381 5.162 5.624 . 0 0 "[ . 1 . 2 . 3]" 1
880 1 12 PHE QD 1 43 TRP HZ2 4.500 . 7.900 5.117 4.391 5.512 . 0 0 "[ . 1 . 2 . 3]" 1
881 1 12 PHE QD 1 43 TRP HZ3 6.000 . 9.400 4.461 4.096 5.427 . 0 0 "[ . 1 . 2 . 3]" 1
882 1 12 PHE QD 1 46 MET ME 6.000 . 10.900 5.108 4.360 5.782 . 0 0 "[ . 1 . 2 . 3]" 1
883 1 12 PHE QE 1 13 MET HA 4.500 . 7.900 4.136 3.630 4.427 . 0 0 "[ . 1 . 2 . 3]" 1
884 1 12 PHE QE 1 13 MET HG3 4.500 . 7.900 4.177 2.959 6.654 . 0 0 "[ . 1 . 2 . 3]" 1
885 1 12 PHE QE 1 13 MET HG2 4.500 . 7.900 3.286 2.365 6.310 . 0 0 "[ . 1 . 2 . 3]" 1
886 1 12 PHE QE 1 15 TRP HE3 3.000 . 6.400 4.034 3.854 4.502 . 0 0 "[ . 1 . 2 . 3]" 1
887 1 12 PHE QE 1 15 TRP HH2 4.500 . 7.900 3.463 3.154 4.645 . 0 0 "[ . 1 . 2 . 3]" 1
888 1 12 PHE QE 1 15 TRP HZ3 2.500 . 5.600 2.070 1.827 3.291 . 0 0 "[ . 1 . 2 . 3]" 1
889 1 12 PHE QE 1 16 ALA HA 6.000 . 9.400 4.877 4.546 5.168 . 0 0 "[ . 1 . 2 . 3]" 1
890 1 12 PHE QE 1 16 ALA MB 3.000 . 7.400 2.803 2.507 3.082 . 0 0 "[ . 1 . 2 . 3]" 1
891 1 12 PHE QE 1 35 ILE MG 4.500 . 9.400 5.747 5.411 6.234 . 0 0 "[ . 1 . 2 . 3]" 1
892 1 12 PHE HZ 1 36 SER HA 4.500 . 5.500 3.937 3.200 4.789 . 0 0 "[ . 1 . 2 . 3]" 1
893 1 12 PHE HZ 1 39 LEU HA 4.500 . 5.500 4.663 4.199 5.009 . 0 0 "[ . 1 . 2 . 3]" 1
894 1 12 PHE HZ 1 39 LEU HB2 3.000 . 3.500 2.616 2.227 3.116 . 0 0 "[ . 1 . 2 . 3]" 1
895 1 12 PHE HZ 1 39 LEU HB3 3.000 . 3.500 2.636 2.309 3.085 . 0 0 "[ . 1 . 2 . 3]" 1
896 1 12 PHE QE 1 39 LEU HG 4.500 . 7.900 4.915 4.643 5.252 . 0 0 "[ . 1 . 2 . 3]" 1
897 1 12 PHE QE 1 39 LEU MD1 3.000 . 7.400 3.483 2.244 3.903 . 0 0 "[ . 1 . 2 . 3]" 1
898 1 12 PHE QE 1 39 LEU MD2 3.000 . 7.400 3.714 3.334 4.183 . 0 0 "[ . 1 . 2 . 3]" 1
899 1 12 PHE QE 1 40 GLY QA 3.000 . 6.900 2.230 1.783 2.573 . 0 0 "[ . 1 . 2 . 3]" 1
900 1 12 PHE QE 1 43 TRP HA 6.000 . 9.400 4.498 4.078 4.923 . 0 0 "[ . 1 . 2 . 3]" 1
901 1 12 PHE QE 1 43 TRP HB2 3.000 . 5.900 2.196 1.852 2.653 . 0 0 "[ . 1 . 2 . 3]" 1
902 1 12 PHE QE 1 43 TRP HB3 3.000 . 5.900 3.172 2.068 3.844 . 0 0 "[ . 1 . 2 . 3]" 1
903 1 12 PHE QE 1 43 TRP HD1 4.500 . 7.900 4.821 2.912 5.543 . 0 0 "[ . 1 . 2 . 3]" 1
904 1 12 PHE QE 1 43 TRP HE1 6.000 . 9.400 6.224 4.757 6.811 . 0 0 "[ . 1 . 2 . 3]" 1
905 1 12 PHE QE 1 43 TRP HE3 4.500 . 7.900 4.346 3.978 4.922 . 0 0 "[ . 1 . 2 . 3]" 1
906 1 12 PHE QE 1 43 TRP HZ3 6.000 . 9.400 6.302 6.029 6.599 . 0 0 "[ . 1 . 2 . 3]" 1
907 1 12 PHE QE 1 46 MET ME 6.000 . 10.900 6.517 5.922 6.921 . 0 0 "[ . 1 . 2 . 3]" 1
908 1 27 PHE QD 1 38 ILE MG 4.500 . 9.400 4.358 3.527 4.816 . 0 0 "[ . 1 . 2 . 3]" 1
909 1 27 PHE QD 1 38 ILE MD 4.500 . 9.400 5.356 3.808 6.122 . 0 0 "[ . 1 . 2 . 3]" 1
910 1 27 PHE QE 1 35 ILE MD 4.500 . 9.400 5.040 4.379 5.414 . 0 0 "[ . 1 . 2 . 3]" 1
911 1 27 PHE QE 1 38 ILE MG 4.500 . 9.400 4.723 3.597 5.259 . 0 0 "[ . 1 . 2 . 3]" 1
912 1 27 PHE QE 1 38 ILE MD 4.500 . 9.400 5.996 4.590 6.661 . 0 0 "[ . 1 . 2 . 3]" 1
913 1 27 PHE HZ 1 38 ILE MG 6.000 . 8.500 6.384 5.612 6.918 . 0 0 "[ . 1 . 2 . 3]" 1
914 1 14 VAL HB 1 54 TYR HA 6.000 . 7.000 4.712 4.332 4.967 . 0 0 "[ . 1 . 2 . 3]" 1
915 1 14 VAL HB 1 54 TYR QB 6.000 . 8.000 3.348 3.176 3.621 . 0 0 "[ . 1 . 2 . 3]" 1
916 1 14 VAL HB 1 54 TYR QD 4.500 . 7.900 5.373 4.847 5.483 . 0 0 "[ . 1 . 2 . 3]" 1
917 1 14 VAL HB 1 54 TYR QE 4.500 . 7.900 7.327 7.005 7.398 . 0 0 "[ . 1 . 2 . 3]" 1
918 1 14 VAL MG1 1 43 TRP HE3 6.000 . 8.500 6.994 6.943 7.042 . 0 0 "[ . 1 . 2 . 3]" 1
919 1 14 VAL MG1 1 43 TRP HH2 4.500 . 7.000 5.205 5.045 5.349 . 0 0 "[ . 1 . 2 . 3]" 1
920 1 14 VAL MG1 1 43 TRP HZ3 4.500 . 7.000 5.301 5.210 5.372 . 0 0 "[ . 1 . 2 . 3]" 1
921 1 14 VAL MG1 1 54 TYR HA 4.500 . 7.000 2.793 2.355 3.152 . 0 0 "[ . 1 . 2 . 3]" 1
922 1 14 VAL MG1 1 54 TYR QD 2.500 . 6.600 3.690 2.686 4.026 . 0 0 "[ . 1 . 2 . 3]" 1
923 1 14 VAL MG1 1 54 TYR QE 3.000 . 7.400 5.392 4.617 5.589 . 0 0 "[ . 1 . 2 . 3]" 1
924 1 14 VAL MG1 1 55 TYR QD 4.500 . 9.400 5.630 5.002 6.163 . 0 0 "[ . 1 . 2 . 3]" 1
925 1 14 VAL MG1 1 55 TYR QE 4.500 . 9.400 6.751 6.183 7.105 . 0 0 "[ . 1 . 2 . 3]" 1
926 1 14 VAL MG1 1 55 TYR HA 6.000 . 8.500 4.639 4.244 4.908 . 0 0 "[ . 1 . 2 . 3]" 1
927 1 14 VAL MG1 1 57 GLU HA 6.000 . 8.500 4.589 4.132 5.575 . 0 0 "[ . 1 . 2 . 3]" 1
928 1 14 VAL MG2 1 57 GLU HA 4.500 . 7.000 5.455 4.880 5.914 . 0 0 "[ . 1 . 2 . 3]" 1
929 1 14 VAL MG1 1 58 GLN HA 6.000 . 8.500 3.371 2.645 4.307 . 0 0 "[ . 1 . 2 . 3]" 1
930 1 14 VAL MG2 1 58 GLN HA 4.500 . 7.000 2.319 1.787 3.084 . 0 0 "[ . 1 . 2 . 3]" 1
931 1 14 VAL MG1 1 58 GLN HB2 3.000 . 5.000 3.778 2.519 5.108 0.108 26 0 "[ . 1 . 2 . 3]" 1
932 1 14 VAL MG2 1 58 GLN HB2 3.000 . 5.000 2.292 1.728 3.342 . 0 0 "[ . 1 . 2 . 3]" 1
933 1 14 VAL MG1 1 58 GLN HB3 4.500 . 7.000 3.682 3.001 4.084 . 0 0 "[ . 1 . 2 . 3]" 1
934 1 14 VAL MG2 1 58 GLN HB3 4.500 . 7.000 2.848 1.862 3.577 . 0 0 "[ . 1 . 2 . 3]" 1
935 1 14 VAL MG1 1 58 GLN HG3 6.000 . 8.500 5.391 3.048 6.246 . 0 0 "[ . 1 . 2 . 3]" 1
936 1 14 VAL MG2 1 58 GLN HG3 4.500 . 7.000 3.969 1.859 5.031 . 0 0 "[ . 1 . 2 . 3]" 1
937 1 14 VAL MG1 1 58 GLN HG2 4.500 . 7.000 5.164 3.663 5.707 . 0 0 "[ . 1 . 2 . 3]" 1
938 1 14 VAL MG2 1 58 GLN HG2 4.500 . 7.000 4.052 2.016 5.173 . 0 0 "[ . 1 . 2 . 3]" 1
939 1 15 TRP HA 1 43 TRP HH2 6.000 . 7.000 5.830 5.688 5.966 . 0 0 "[ . 1 . 2 . 3]" 1
940 1 15 TRP HA 1 43 TRP HZ3 4.500 . 5.500 4.469 4.422 4.561 . 0 0 "[ . 1 . 2 . 3]" 1
941 1 15 TRP HA 1 54 TYR QD 4.500 . 7.900 4.001 2.513 4.568 . 0 0 "[ . 1 . 2 . 3]" 1
942 1 15 TRP HA 1 54 TYR QE 3.000 . 5.900 4.930 3.504 5.372 . 0 0 "[ . 1 . 2 . 3]" 1
943 1 15 TRP QB 1 43 TRP HE3 4.500 . 6.500 3.573 3.444 3.756 . 0 0 "[ . 1 . 2 . 3]" 1
944 1 15 TRP QB 1 43 TRP HH2 6.000 . 8.000 3.032 2.891 3.129 . 0 0 "[ . 1 . 2 . 3]" 1
945 1 15 TRP QB 1 43 TRP HZ2 6.000 . 8.000 4.948 4.841 5.106 . 0 0 "[ . 1 . 2 . 3]" 1
946 1 15 TRP QB 1 43 TRP HZ3 4.500 . 6.500 1.853 1.818 1.905 . 0 0 "[ . 1 . 2 . 3]" 1
947 1 15 TRP QB 1 54 TYR QD 4.500 . 7.900 2.507 2.040 2.858 . 0 0 "[ . 1 . 2 . 3]" 1
948 1 15 TRP QB 1 54 TYR QE 4.500 . 7.900 3.590 3.383 3.872 . 0 0 "[ . 1 . 2 . 3]" 1
949 1 15 TRP HD1 1 39 LEU MD2 6.000 . 8.500 6.508 6.316 6.647 . 0 0 "[ . 1 . 2 . 3]" 1
950 1 15 TRP HD1 1 43 TRP HE3 6.000 . 7.000 4.734 4.592 5.045 . 0 0 "[ . 1 . 2 . 3]" 1
951 1 15 TRP HD1 1 43 TRP HZ3 4.500 . 5.500 3.325 3.210 3.465 . 0 0 "[ . 1 . 2 . 3]" 1
952 1 15 TRP HD1 1 46 MET ME 3.000 . 5.000 3.503 2.744 4.075 . 0 0 "[ . 1 . 2 . 3]" 1
953 1 15 TRP HD1 1 54 TYR QD 4.500 . 7.900 3.271 2.735 3.797 . 0 0 "[ . 1 . 2 . 3]" 1
954 1 15 TRP HD1 1 54 TYR QE 3.000 . 5.900 2.680 2.199 3.245 . 0 0 "[ . 1 . 2 . 3]" 1
955 1 15 TRP HE3 1 39 LEU HA 4.500 . 5.500 5.424 5.282 5.526 0.026 12 0 "[ . 1 . 2 . 3]" 1
956 1 15 TRP HE3 1 39 LEU MD2 4.500 . 7.000 3.856 3.733 3.971 . 0 0 "[ . 1 . 2 . 3]" 1
957 1 15 TRP HE3 1 43 TRP HA 6.000 . 7.000 4.734 4.395 5.052 . 0 0 "[ . 1 . 2 . 3]" 1
958 1 15 TRP HE3 1 43 TRP HB2 6.000 . 7.000 3.991 3.836 4.146 . 0 0 "[ . 1 . 2 . 3]" 1
959 1 15 TRP HE3 1 43 TRP HB3 6.000 . 7.000 5.692 5.548 5.838 . 0 0 "[ . 1 . 2 . 3]" 1
960 1 15 TRP HE3 1 43 TRP HE3 4.500 . 5.500 2.775 2.686 2.840 . 0 0 "[ . 1 . 2 . 3]" 1
961 1 15 TRP HE3 1 43 TRP HZ3 4.500 . 5.500 3.333 3.080 3.500 . 0 0 "[ . 1 . 2 . 3]" 1
962 1 15 TRP HE3 1 46 MET ME 4.500 . 7.000 5.022 4.674 5.665 . 0 0 "[ . 1 . 2 . 3]" 1
963 1 15 TRP HH2 1 23 ILE MD 4.500 . 7.000 5.268 4.458 5.743 . 0 0 "[ . 1 . 2 . 3]" 1
964 1 15 TRP HH2 1 35 ILE MG 6.000 . 8.500 6.203 5.938 6.502 . 0 0 "[ . 1 . 2 . 3]" 1
965 1 15 TRP HH2 1 38 ILE HA 6.000 . 7.000 6.534 6.322 6.822 . 0 0 "[ . 1 . 2 . 3]" 1
966 1 15 TRP HH2 1 38 ILE MG 6.000 . 8.500 4.773 4.575 5.098 . 0 0 "[ . 1 . 2 . 3]" 1
967 1 15 TRP HH2 1 39 LEU HA 3.000 . 3.500 2.489 2.246 2.689 . 0 0 "[ . 1 . 2 . 3]" 1
968 1 15 TRP HH2 1 39 LEU HB2 4.500 . 5.500 4.865 4.523 5.133 . 0 0 "[ . 1 . 2 . 3]" 1
969 1 15 TRP HH2 1 39 LEU HB3 4.500 . 5.500 3.649 3.284 3.923 . 0 0 "[ . 1 . 2 . 3]" 1
970 1 15 TRP HH2 1 39 LEU MD1 4.500 . 7.000 4.936 4.780 5.073 . 0 0 "[ . 1 . 2 . 3]" 1
971 1 15 TRP HH2 1 39 LEU MD2 3.000 . 5.000 2.876 2.617 3.229 . 0 0 "[ . 1 . 2 . 3]" 1
972 1 15 TRP HH2 1 40 GLY QA 6.000 . 8.000 4.503 4.227 4.868 . 0 0 "[ . 1 . 2 . 3]" 1
973 1 15 TRP HH2 1 42 ARG HA 4.500 . 5.500 3.955 3.822 4.139 . 0 0 "[ . 1 . 2 . 3]" 1
974 1 15 TRP HH2 1 42 ARG HB2 3.000 . 3.500 1.824 1.758 1.934 0.042 13 0 "[ . 1 . 2 . 3]" 1
975 1 15 TRP HH2 1 42 ARG HB3 3.000 . 3.500 2.330 2.035 3.494 . 0 0 "[ . 1 . 2 . 3]" 1
976 1 15 TRP HH2 1 42 ARG HG3 4.500 . 5.500 3.946 2.774 4.061 . 0 0 "[ . 1 . 2 . 3]" 1
977 1 15 TRP HH2 1 42 ARG HG2 4.500 . 5.500 4.411 4.020 4.555 . 0 0 "[ . 1 . 2 . 3]" 1
978 1 15 TRP HH2 1 42 ARG HD3 4.500 . 5.500 4.512 3.953 4.955 . 0 0 "[ . 1 . 2 . 3]" 1
979 1 15 TRP HH2 1 42 ARG HD2 4.500 . 5.500 4.637 3.970 5.553 0.053 13 0 "[ . 1 . 2 . 3]" 1
980 1 15 TRP HH2 1 43 TRP HA 4.500 . 5.500 3.303 3.085 3.577 . 0 0 "[ . 1 . 2 . 3]" 1
981 1 15 TRP HH2 1 43 TRP HB2 4.500 . 5.500 3.047 2.753 3.453 . 0 0 "[ . 1 . 2 . 3]" 1
982 1 15 TRP HH2 1 43 TRP HB3 4.500 . 5.500 4.247 3.968 4.728 . 0 0 "[ . 1 . 2 . 3]" 1
983 1 15 TRP HH2 1 43 TRP HD1 6.000 . 7.000 6.531 6.275 6.949 . 0 0 "[ . 1 . 2 . 3]" 1
984 1 15 TRP HH2 1 43 TRP HE3 6.000 . 7.000 3.699 3.495 3.876 . 0 0 "[ . 1 . 2 . 3]" 1
985 1 15 TRP HH2 1 43 TRP HZ3 6.000 . 7.000 5.860 5.690 6.028 . 0 0 "[ . 1 . 2 . 3]" 1
986 1 15 TRP HH2 1 46 MET ME 6.000 . 8.500 5.692 5.103 6.415 . 0 0 "[ . 1 . 2 . 3]" 1
987 1 15 TRP HZ2 1 39 LEU HA 4.500 . 5.500 4.561 4.284 4.801 . 0 0 "[ . 1 . 2 . 3]" 1
988 1 15 TRP HZ2 1 39 LEU QB 6.000 . 8.000 5.638 5.311 5.908 . 0 0 "[ . 1 . 2 . 3]" 1
989 1 15 TRP HZ2 1 39 LEU MD1 6.000 . 8.500 6.409 6.224 6.567 . 0 0 "[ . 1 . 2 . 3]" 1
990 1 15 TRP HZ2 1 39 LEU MD2 4.500 . 7.000 4.158 3.921 4.370 . 0 0 "[ . 1 . 2 . 3]" 1
991 1 15 TRP HZ2 1 42 ARG HA 4.500 . 5.500 4.065 3.700 4.460 . 0 0 "[ . 1 . 2 . 3]" 1
992 1 15 TRP HZ2 1 42 ARG HB2 3.000 . 3.500 3.239 1.970 3.523 0.023 15 0 "[ . 1 . 2 . 3]" 1
993 1 15 TRP HZ2 1 42 ARG HB3 3.000 . 3.500 2.057 1.837 2.886 . 0 0 "[ . 1 . 2 . 3]" 1
994 1 15 TRP HZ2 1 42 ARG HG3 4.500 . 5.500 4.686 4.211 4.922 . 0 0 "[ . 1 . 2 . 3]" 1
995 1 15 TRP HZ2 1 42 ARG HG2 4.500 . 5.500 4.866 4.528 5.257 . 0 0 "[ . 1 . 2 . 3]" 1
996 1 15 TRP HZ2 1 42 ARG QD 4.500 . 6.500 3.385 2.731 4.029 . 0 0 "[ . 1 . 2 . 3]" 1
997 1 15 TRP HZ2 1 43 TRP HA 4.500 . 5.500 3.413 3.128 3.911 . 0 0 "[ . 1 . 2 . 3]" 1
998 1 15 TRP HZ2 1 43 TRP HE3 4.500 . 5.500 3.775 3.588 3.992 . 0 0 "[ . 1 . 2 . 3]" 1
999 1 15 TRP HZ2 1 43 TRP HZ3 4.500 . 5.500 5.281 5.161 5.381 . 0 0 "[ . 1 . 2 . 3]" 1
1000 1 15 TRP HZ3 1 38 ILE MG 6.000 . 8.500 5.826 5.675 6.039 . 0 0 "[ . 1 . 2 . 3]" 1
1001 1 15 TRP HZ3 1 39 LEU HA 4.500 . 5.500 3.243 3.070 3.413 . 0 0 "[ . 1 . 2 . 3]" 1
1002 1 15 TRP HZ3 1 39 LEU MD1 4.500 . 7.000 3.675 3.459 3.896 . 0 0 "[ . 1 . 2 . 3]" 1
1003 1 15 TRP HZ3 1 39 LEU MD2 3.000 . 5.000 2.658 2.455 3.049 . 0 0 "[ . 1 . 2 . 3]" 1
1004 1 15 TRP HZ3 1 43 TRP HA 6.000 . 7.000 4.045 3.785 4.273 . 0 0 "[ . 1 . 2 . 3]" 1
1005 1 15 TRP HZ3 1 43 TRP QB 4.500 . 6.500 2.523 2.393 2.721 . 0 0 "[ . 1 . 2 . 3]" 1
1006 1 15 TRP HZ3 1 43 TRP HE3 4.500 . 5.500 3.234 3.056 3.380 . 0 0 "[ . 1 . 2 . 3]" 1
1007 1 15 TRP HZ3 1 43 TRP HZ3 6.000 . 7.000 5.097 4.851 5.293 . 0 0 "[ . 1 . 2 . 3]" 1
1008 1 15 TRP HZ3 1 46 MET ME 6.000 . 8.500 5.843 5.422 6.510 . 0 0 "[ . 1 . 2 . 3]" 1
1009 1 43 TRP HE3 1 51 LYS HG3 6.000 . 7.000 5.975 4.532 7.143 0.143 3 0 "[ . 1 . 2 . 3]" 1
1010 1 43 TRP HE3 1 51 LYS HG2 6.000 . 7.000 5.936 3.930 7.095 0.095 2 0 "[ . 1 . 2 . 3]" 1
1011 1 43 TRP HE3 1 54 TYR QD 4.500 . 7.900 4.894 4.342 6.530 . 0 0 "[ . 1 . 2 . 3]" 1
1012 1 43 TRP HE3 1 54 TYR QE 6.000 . 9.400 5.560 4.929 7.185 . 0 0 "[ . 1 . 2 . 3]" 1
1013 1 43 TRP HH2 1 51 LYS HA 4.500 . 5.500 3.124 2.263 4.203 . 0 0 "[ . 1 . 2 . 3]" 1
1014 1 43 TRP HH2 1 51 LYS HB2 4.500 . 5.500 3.846 1.801 5.191 . 0 0 "[ . 1 . 2 . 3]" 1
1015 1 43 TRP HH2 1 51 LYS HB3 4.500 . 5.500 3.410 2.017 4.968 . 0 0 "[ . 1 . 2 . 3]" 1
1016 1 43 TRP HH2 1 51 LYS HG3 6.000 . 7.000 3.379 1.964 4.804 . 0 0 "[ . 1 . 2 . 3]" 1
1017 1 43 TRP HH2 1 51 LYS HG2 6.000 . 7.000 3.215 2.114 4.601 . 0 0 "[ . 1 . 2 . 3]" 1
1018 1 43 TRP HH2 1 51 LYS HD3 6.000 . 7.000 4.465 2.760 5.726 . 0 0 "[ . 1 . 2 . 3]" 1
1019 1 43 TRP HH2 1 51 LYS HD2 4.500 . 5.500 4.298 1.961 5.531 0.031 17 0 "[ . 1 . 2 . 3]" 1
1020 1 43 TRP HH2 1 54 TYR HA 4.500 . 5.500 5.516 5.235 5.697 0.197 30 0 "[ . 1 . 2 . 3]" 1
1021 1 43 TRP HH2 1 54 TYR QB 4.500 . 6.500 2.514 2.288 2.795 . 0 0 "[ . 1 . 2 . 3]" 1
1022 1 43 TRP HH2 1 54 TYR QD 3.000 . 5.900 2.519 1.894 4.337 . 0 0 "[ . 1 . 2 . 3]" 1
1023 1 43 TRP HH2 1 54 TYR QE 4.500 . 7.900 4.655 3.971 5.888 . 0 0 "[ . 1 . 2 . 3]" 1
1024 1 43 TRP HH2 1 55 TYR HA 6.000 . 7.000 5.380 5.051 5.773 . 0 0 "[ . 1 . 2 . 3]" 1
1025 1 43 TRP HH2 1 55 TYR QD 4.500 . 7.900 4.211 3.215 5.684 . 0 0 "[ . 1 . 2 . 3]" 1
1026 1 43 TRP HH2 1 55 TYR QE 4.500 . 7.900 4.414 2.429 6.192 . 0 0 "[ . 1 . 2 . 3]" 1
1027 1 43 TRP HZ2 1 51 LYS HA 4.500 . 5.500 4.579 3.758 5.636 0.136 30 0 "[ . 1 . 2 . 3]" 1
1028 1 43 TRP HZ2 1 51 LYS QG 6.000 . 8.000 2.500 1.761 4.181 . 0 0 "[ . 1 . 2 . 3]" 1
1029 1 43 TRP HZ2 1 51 LYS HD3 4.500 . 5.500 3.639 1.855 4.983 . 0 0 "[ . 1 . 2 . 3]" 1
1030 1 43 TRP HZ2 1 51 LYS HD2 4.500 . 5.500 3.470 1.844 5.623 0.123 25 0 "[ . 1 . 2 . 3]" 1
1031 1 43 TRP HZ3 1 54 TYR HA 6.000 . 7.000 6.181 5.847 6.594 . 0 0 "[ . 1 . 2 . 3]" 1
1032 1 43 TRP HZ3 1 54 TYR QB 4.500 . 6.500 3.436 3.233 3.755 . 0 0 "[ . 1 . 2 . 3]" 1
1033 1 43 TRP HZ3 1 54 TYR QD 4.500 . 7.900 2.665 1.989 4.514 . 0 0 "[ . 1 . 2 . 3]" 1
1034 1 43 TRP HZ3 1 54 TYR QE 4.500 . 7.900 3.977 3.363 5.435 . 0 0 "[ . 1 . 2 . 3]" 1
1035 1 17 LYS HA 1 39 LEU MD2 6.000 . 8.500 4.342 4.246 4.436 . 0 0 "[ . 1 . 2 . 3]" 1
1036 1 22 LYS HA 1 39 LEU MD2 6.000 . 8.500 7.080 7.018 7.142 . 0 0 "[ . 1 . 2 . 3]" 1
1037 1 19 GLU HA 1 39 LEU MD2 3.000 . 5.000 3.937 3.844 4.119 . 0 0 "[ . 1 . 2 . 3]" 1
1038 1 19 GLU HB2 1 39 LEU HA 6.000 . 7.000 4.927 4.710 5.139 . 0 0 "[ . 1 . 2 . 3]" 1
1039 1 19 GLU HB3 1 39 LEU HA 6.000 . 7.000 3.672 3.473 3.901 . 0 0 "[ . 1 . 2 . 3]" 1
1040 1 20 ARG HA 1 35 ILE MD 3.000 . 5.000 3.215 3.068 3.385 . 0 0 "[ . 1 . 2 . 3]" 1
1041 1 20 ARG HA 1 35 ILE MG 3.000 . 5.000 2.429 2.249 2.663 . 0 0 "[ . 1 . 2 . 3]" 1
1042 1 20 ARG HA 1 39 LEU MD1 3.000 . 5.000 3.667 3.461 3.878 . 0 0 "[ . 1 . 2 . 3]" 1
1043 1 20 ARG HA 1 39 LEU MD2 3.000 . 5.000 2.675 2.234 2.980 . 0 0 "[ . 1 . 2 . 3]" 1
1044 1 20 ARG HG3 1 39 LEU MD1 4.500 . 7.000 3.182 1.658 4.126 . 0 0 "[ . 1 . 2 . 3]" 1
1045 1 20 ARG HG3 1 39 LEU MD2 4.500 . 7.000 3.725 2.652 4.533 . 0 0 "[ . 1 . 2 . 3]" 1
1046 1 20 ARG HG2 1 39 LEU MD1 4.500 . 7.000 2.613 1.986 3.313 . 0 0 "[ . 1 . 2 . 3]" 1
1047 1 20 ARG HG2 1 39 LEU MD2 4.500 . 7.000 3.408 2.325 4.091 . 0 0 "[ . 1 . 2 . 3]" 1
1048 1 20 ARG HD3 1 35 ILE MG 3.000 . 5.000 3.048 1.794 3.997 . 0 0 "[ . 1 . 2 . 3]" 1
1049 1 20 ARG HD2 1 35 ILE MG 3.000 . 5.000 3.203 1.833 4.056 . 0 0 "[ . 1 . 2 . 3]" 1
1050 1 20 ARG HD3 1 39 LEU MD1 4.500 . 7.000 3.404 2.580 4.165 . 0 0 "[ . 1 . 2 . 3]" 1
1051 1 20 ARG HD3 1 39 LEU MD2 4.500 . 7.000 4.808 4.153 5.314 . 0 0 "[ . 1 . 2 . 3]" 1
1052 1 20 ARG HD2 1 39 LEU MD1 4.500 . 7.000 4.122 3.233 4.929 . 0 0 "[ . 1 . 2 . 3]" 1
1053 1 20 ARG HD2 1 39 LEU MD2 6.000 . 8.500 4.981 4.543 5.342 . 0 0 "[ . 1 . 2 . 3]" 1
1054 1 21 ARG HA 1 24 LEU MD1 4.500 . 7.000 4.599 4.253 4.870 . 0 0 "[ . 1 . 2 . 3]" 1
1055 1 21 ARG HA 1 24 LEU MD2 3.000 . 5.000 3.349 2.962 3.625 . 0 0 "[ . 1 . 2 . 3]" 1
1056 1 24 LEU MD1 1 30 MET HA 4.500 . 7.000 4.804 4.446 5.760 . 0 0 "[ . 1 . 2 . 3]" 1
1057 1 24 LEU MD1 1 31 HIS HA 4.500 . 7.000 3.036 2.502 4.326 . 0 0 "[ . 1 . 2 . 3]" 1
1058 1 30 MET HB2 1 35 ILE QG 6.000 . 8.500 3.977 3.419 4.731 . 0 0 "[ . 1 . 2 . 3]" 1
1059 1 30 MET HB3 1 35 ILE QG 6.000 . 8.500 2.470 1.893 3.609 . 0 0 "[ . 1 . 2 . 3]" 1
1060 1 30 MET HG3 1 35 ILE HA 4.500 . 5.500 4.808 4.283 5.518 0.018 14 0 "[ . 1 . 2 . 3]" 1
1061 1 30 MET HG2 1 35 ILE HA 4.500 . 5.500 3.226 2.735 4.299 . 0 0 "[ . 1 . 2 . 3]" 1
1062 1 30 MET HG3 1 35 ILE MD 4.500 . 7.000 4.011 3.544 4.580 . 0 0 "[ . 1 . 2 . 3]" 1
1063 1 30 MET HG2 1 35 ILE MD 4.500 . 7.000 2.819 1.971 3.734 . 0 0 "[ . 1 . 2 . 3]" 1
1064 1 30 MET HG3 1 35 ILE QG 4.500 . 7.000 3.897 3.193 4.494 . 0 0 "[ . 1 . 2 . 3]" 1
1065 1 30 MET HG2 1 35 ILE QG 4.500 . 7.000 2.488 1.975 3.203 . 0 0 "[ . 1 . 2 . 3]" 1
1066 1 30 MET QG 1 35 ILE MG 4.500 . 8.000 4.518 4.126 5.242 . 0 0 "[ . 1 . 2 . 3]" 1
1067 1 30 MET HG3 1 38 ILE MD 6.000 . 8.500 3.667 2.735 4.386 . 0 0 "[ . 1 . 2 . 3]" 1
1068 1 30 MET HG2 1 38 ILE MD 6.000 . 8.500 2.872 2.131 3.950 . 0 0 "[ . 1 . 2 . 3]" 1
1069 1 46 MET ME 1 51 LYS HG3 4.500 . 7.000 2.806 1.720 4.225 . 0 0 "[ . 1 . 2 . 3]" 1
1070 1 46 MET ME 1 51 LYS HG2 4.500 . 7.000 2.933 1.728 4.168 . 0 0 "[ . 1 . 2 . 3]" 1
1071 1 46 MET ME 1 54 TYR QD 3.000 . 7.400 2.324 1.841 4.568 . 0 0 "[ . 1 . 2 . 3]" 1
1072 1 46 MET ME 1 54 TYR QE 2.500 . 6.600 2.313 1.779 4.941 . 0 0 "[ . 1 . 2 . 3]" 1
1073 1 4 HIS HA 1 69 TYR QE 6.000 . 9.400 5.135 2.165 8.439 . 0 0 "[ . 1 . 2 . 3]" 1
1074 1 48 ASN HA 1 54 TYR QD 6.000 . 9.400 6.871 5.755 7.553 . 0 0 "[ . 1 . 2 . 3]" 1
1075 1 48 ASN HA 1 54 TYR QE 6.000 . 9.400 7.198 6.224 8.022 . 0 0 "[ . 1 . 2 . 3]" 1
1076 1 51 LYS HA 1 54 TYR QD 2.500 . 5.100 2.211 1.750 2.850 . 0 0 "[ . 1 . 2 . 3]" 1
1077 1 51 LYS HA 1 54 TYR QE 3.000 . 5.900 3.372 2.546 4.082 . 0 0 "[ . 1 . 2 . 3]" 1
1078 1 51 LYS HA 1 55 TYR QD 6.000 . 9.400 4.212 3.275 5.679 . 0 0 "[ . 1 . 2 . 3]" 1
1079 1 51 LYS HA 1 55 TYR QE 6.000 . 9.400 5.251 4.225 6.732 . 0 0 "[ . 1 . 2 . 3]" 1
1080 1 51 LYS HB2 1 54 TYR QD 4.500 . 7.900 4.410 2.938 5.490 . 0 0 "[ . 1 . 2 . 3]" 1
1081 1 51 LYS HB3 1 54 TYR QD 4.500 . 7.900 4.057 2.582 5.367 . 0 0 "[ . 1 . 2 . 3]" 1
1082 1 51 LYS HB2 1 54 TYR QE 6.000 . 9.000 5.557 3.879 6.661 . 0 0 "[ . 1 . 2 . 3]" 1
1083 1 51 LYS HB3 1 54 TYR QE 6.000 . 9.400 5.425 3.439 6.542 . 0 0 "[ . 1 . 2 . 3]" 1
1084 1 51 LYS QG 1 54 TYR QD 4.500 . 8.900 3.480 1.942 4.762 . 0 0 "[ . 1 . 2 . 3]" 1
1085 1 51 LYS QG 1 54 TYR QE 4.500 . 8.900 4.557 3.129 5.889 . 0 0 "[ . 1 . 2 . 3]" 1
1086 1 10 ASN HA 1 11 ALA HA 6.000 . 7.000 4.361 4.302 4.404 . 0 0 "[ . 1 . 2 . 3]" 1
1087 1 11 ALA HA 1 12 PHE HA 4.500 . 5.500 4.764 4.703 4.844 . 0 0 "[ . 1 . 2 . 3]" 1
1088 1 26 ALA HA 1 27 PHE HA 6.000 . 7.000 4.519 4.492 4.542 . 0 0 "[ . 1 . 2 . 3]" 1
1089 1 27 PHE HA 1 28 PRO HA 4.500 . 5.500 4.635 4.623 4.662 . 0 0 "[ . 1 . 2 . 3]" 1
1090 1 29 ASP HA 1 30 MET HA 4.500 . 5.500 4.829 4.787 4.878 . 0 0 "[ . 1 . 2 . 3]" 1
1091 1 30 MET HA 1 31 HIS HA 4.500 . 5.500 4.483 4.297 4.832 . 0 0 "[ . 1 . 2 . 3]" 1
1092 1 33 SER HA 1 34 ASN HA 4.500 . 5.500 4.578 4.547 4.624 . 0 0 "[ . 1 . 2 . 3]" 1
1093 1 35 ILE HA 1 36 SER HA 4.500 . 5.500 4.910 4.877 4.949 . 0 0 "[ . 1 . 2 . 3]" 1
1094 1 54 TYR HA 1 55 TYR HA 4.500 . 5.500 4.693 4.616 4.749 . 0 0 "[ . 1 . 2 . 3]" 1
1095 1 55 TYR HA 1 56 GLU HA 4.500 . 5.500 4.750 4.694 4.818 . 0 0 "[ . 1 . 2 . 3]" 1
1096 1 9 MET HA 1 9 MET HB2 2.500 . 2.700 2.896 2.691 2.992 0.292 16 0 "[ . 1 . 2 . 3]" 1
1097 1 9 MET HA 1 9 MET HB3 2.500 . 2.700 2.426 2.182 2.669 . 0 0 "[ . 1 . 2 . 3]" 1
1098 1 10 ASN HA 1 10 ASN HB2 2.500 . 2.700 2.490 2.235 2.948 0.248 28 0 "[ . 1 . 2 . 3]" 1
1099 1 10 ASN HA 1 10 ASN HB3 2.500 . 2.700 2.764 2.229 2.990 0.290 18 0 "[ . 1 . 2 . 3]" 1
1100 1 25 GLN HA 1 25 GLN HB2 2.500 . 2.700 2.416 2.384 2.473 . 0 0 "[ . 1 . 2 . 3]" 1
1101 1 25 GLN HA 1 25 GLN HB3 2.500 . 2.700 2.509 2.444 2.539 . 0 0 "[ . 1 . 2 . 3]" 1
1102 1 28 PRO HA 1 28 PRO HB2 2.500 . 2.700 2.750 2.742 2.755 0.055 10 0 "[ . 1 . 2 . 3]" 1
1103 1 28 PRO HA 1 28 PRO HB3 2.500 . 2.700 2.290 2.281 2.302 . 0 0 "[ . 1 . 2 . 3]" 1
1104 1 29 ASP HA 1 29 ASP HB2 2.500 . 2.700 2.817 2.438 2.887 0.187 23 0 "[ . 1 . 2 . 3]" 1
1105 1 29 ASP HA 1 29 ASP HB3 2.500 . 2.700 2.810 2.506 2.887 0.187 18 0 "[ . 1 . 2 . 3]" 1
1106 1 30 MET HA 1 30 MET HB2 2.500 . 2.700 2.656 2.344 2.776 0.076 27 0 "[ . 1 . 2 . 3]" 1
1107 1 30 MET HA 1 30 MET HB3 2.500 . 2.700 2.940 2.879 2.981 0.281 21 0 "[ . 1 . 2 . 3]" 1
1108 1 33 SER HA 1 33 SER HB2 2.500 . 2.700 2.526 2.232 2.941 0.241 16 0 "[ . 1 . 2 . 3]" 1
1109 1 33 SER HA 1 33 SER HB3 2.500 . 2.700 2.729 2.230 2.937 0.237 14 0 "[ . 1 . 2 . 3]" 1
1110 1 34 ASN HA 1 34 ASN HB2 2.500 . 2.700 2.850 2.722 2.988 0.288 22 0 "[ . 1 . 2 . 3]" 1
1111 1 34 ASN HA 1 34 ASN HB3 2.500 . 2.700 2.789 2.520 2.913 0.213 5 0 "[ . 1 . 2 . 3]" 1
1112 1 35 ILE HA 1 35 ILE HB 0.000 . 3.000 3.026 3.019 3.034 0.034 30 0 "[ . 1 . 2 . 3]" 1
1113 1 38 ILE HA 1 38 ILE HB 2.500 . 2.700 2.961 2.947 2.971 0.271 4 0 "[ . 1 . 2 . 3]" 1
1114 1 42 ARG HA 1 42 ARG HB2 2.500 . 2.700 2.960 2.933 2.979 0.279 4 0 "[ . 1 . 2 . 3]" 1
1115 1 42 ARG HA 1 42 ARG HB3 2.500 . 2.700 2.612 2.247 2.699 . 0 0 "[ . 1 . 2 . 3]" 1
1116 1 47 THR HA 1 47 THR HB 2.500 . 2.700 2.674 2.351 2.763 0.063 14 0 "[ . 1 . 2 . 3]" 1
1117 1 53 PRO HA 1 53 PRO HB2 2.500 . 2.700 2.737 2.728 2.742 0.042 12 0 "[ . 1 . 2 . 3]" 1
1118 1 53 PRO HA 1 53 PRO HB3 2.500 . 2.700 2.268 2.255 2.283 . 0 0 "[ . 1 . 2 . 3]" 1
1119 1 56 GLU HA 1 56 GLU HB2 2.500 . 2.700 2.661 2.351 2.990 0.290 22 0 "[ . 1 . 2 . 3]" 1
1120 1 56 GLU HA 1 56 GLU HB3 2.500 . 2.700 2.494 2.284 2.722 0.022 5 0 "[ . 1 . 2 . 3]" 1
1121 1 57 GLU HA 1 57 GLU HB2 2.500 . 2.700 2.885 2.346 2.990 0.290 4 0 "[ . 1 . 2 . 3]" 1
1122 1 57 GLU HA 1 57 GLU HB3 2.500 . 2.700 2.653 2.293 2.763 0.063 15 0 "[ . 1 . 2 . 3]" 1
1123 1 58 GLN HA 1 58 GLN HB2 2.500 . 2.700 2.333 2.248 2.913 0.213 20 0 "[ . 1 . 2 . 3]" 1
1124 1 58 GLN HA 1 58 GLN HB3 2.500 . 2.700 2.766 2.250 2.992 0.292 3 0 "[ . 1 . 2 . 3]" 1
1125 1 69 TYR HA 1 70 PRO HB2 6.000 . 7.000 5.669 5.440 6.523 . 0 0 "[ . 1 . 2 . 3]" 1
1126 1 69 TYR HA 1 70 PRO HB3 6.000 . 7.000 5.337 4.935 6.093 . 0 0 "[ . 1 . 2 . 3]" 1
1127 1 70 PRO HA 1 70 PRO HB2 2.500 . 2.700 2.740 2.736 2.745 0.045 8 0 "[ . 1 . 2 . 3]" 1
1128 1 70 PRO HA 1 70 PRO HB3 2.500 . 2.700 2.305 2.292 2.313 . 0 0 "[ . 1 . 2 . 3]" 1
1129 1 9 MET HB2 1 10 ASN HA 4.500 . 5.500 4.453 3.778 5.254 . 0 0 "[ . 1 . 2 . 3]" 1
1130 1 9 MET HB3 1 10 ASN HA 4.500 . 5.500 4.894 4.200 5.512 0.012 7 0 "[ . 1 . 2 . 3]" 1
1131 1 10 ASN HA 1 11 ALA MB 4.500 . 7.000 4.213 3.974 4.508 . 0 0 "[ . 1 . 2 . 3]" 1
1132 1 11 ALA MB 1 12 PHE HA 3.000 . 5.000 3.816 3.688 3.907 . 0 0 "[ . 1 . 2 . 3]" 1
1133 1 19 GLU HB2 1 20 ARG HA 6.000 . 7.000 5.186 4.958 5.245 . 0 0 "[ . 1 . 2 . 3]" 1
1134 1 19 GLU HB3 1 20 ARG HA 6.000 . 7.000 4.020 3.970 4.110 . 0 0 "[ . 1 . 2 . 3]" 1
1135 1 26 ALA MB 1 27 PHE HA 4.500 . 7.000 4.310 4.195 4.373 . 0 0 "[ . 1 . 2 . 3]" 1
1136 1 27 PHE HA 1 28 PRO HB2 6.000 . 7.000 5.526 5.482 5.600 . 0 0 "[ . 1 . 2 . 3]" 1
1137 1 27 PHE HA 1 28 PRO HB3 6.000 . 7.000 5.283 5.238 5.341 . 0 0 "[ . 1 . 2 . 3]" 1
1138 1 31 HIS HA 1 32 ASN QB 4.500 . 6.500 4.687 4.177 5.184 . 0 0 "[ . 1 . 2 . 3]" 1
1139 1 31 HIS QB 1 32 ASN HA 4.500 . 6.500 4.692 4.528 4.893 . 0 0 "[ . 1 . 2 . 3]" 1
1140 1 33 SER HB2 1 34 ASN HA 6.000 . 7.000 5.195 4.100 5.786 . 0 0 "[ . 1 . 2 . 3]" 1
1141 1 33 SER HB3 1 34 ASN HA 6.000 . 7.000 4.977 4.040 5.800 . 0 0 "[ . 1 . 2 . 3]" 1
1142 1 35 ILE HA 1 36 SER QB 4.500 . 6.500 5.121 5.067 5.177 . 0 0 "[ . 1 . 2 . 3]" 1
1143 1 48 ASN QB 1 49 LEU HA 4.500 . 6.500 3.995 3.696 4.672 . 0 0 "[ . 1 . 2 . 3]" 1
1144 1 17 LYS HA 1 19 GLU HB2 6.000 . 7.000 5.580 5.302 5.716 . 0 0 "[ . 1 . 2 . 3]" 1
1145 1 17 LYS HA 1 19 GLU HB3 6.000 . 7.000 6.110 6.013 6.254 . 0 0 "[ . 1 . 2 . 3]" 1
1146 1 26 ALA MB 1 28 PRO HA 6.000 . 8.500 6.552 6.418 6.719 . 0 0 "[ . 1 . 2 . 3]" 1
1147 1 13 MET HA 1 16 ALA MB 3.000 . 5.000 2.354 2.114 2.527 . 0 0 "[ . 1 . 2 . 3]" 1
1148 1 16 ALA HA 1 19 GLU HB2 4.500 . 5.500 1.787 1.742 1.853 0.058 23 0 "[ . 1 . 2 . 3]" 1
1149 1 16 ALA HA 1 19 GLU HB3 4.500 . 5.500 2.514 2.416 2.747 . 0 0 "[ . 1 . 2 . 3]" 1
1150 1 27 PHE QB 1 30 MET HA 4.500 . 6.500 4.137 3.921 4.320 . 0 0 "[ . 1 . 2 . 3]" 1
1151 1 27 PHE HA 1 30 MET HB2 4.500 . 5.500 4.074 3.729 4.503 . 0 0 "[ . 1 . 2 . 3]" 1
1152 1 27 PHE HA 1 30 MET HB3 4.500 . 5.500 4.886 3.852 5.368 . 0 0 "[ . 1 . 2 . 3]" 1
1153 1 34 ASN HA 1 37 LYS QB 4.500 . 6.500 3.952 3.450 4.586 . 0 0 "[ . 1 . 2 . 3]" 1
1154 1 52 GLN HA 1 55 TYR HB2 4.500 . 5.500 2.695 2.175 3.295 . 0 0 "[ . 1 . 2 . 3]" 1
1155 1 52 GLN HA 1 55 TYR HB3 4.500 . 5.500 3.952 3.287 4.616 . 0 0 "[ . 1 . 2 . 3]" 1
1156 1 7 ARG HA 1 7 ARG QG 3.000 . 4.100 2.575 1.899 3.348 . 0 0 "[ . 1 . 2 . 3]" 1
1157 1 9 MET HA 1 9 MET HG3 3.000 . 3.500 3.477 3.049 3.725 0.225 8 0 "[ . 1 . 2 . 3]" 1
1158 1 9 MET HA 1 9 MET HG2 3.000 . 3.500 2.725 1.991 3.577 0.077 25 0 "[ . 1 . 2 . 3]" 1
1159 1 24 LEU HA 1 24 LEU HG 3.000 . 3.500 2.522 2.395 2.713 . 0 0 "[ . 1 . 2 . 3]" 1
1160 1 25 GLN HA 1 25 GLN HG3 3.000 . 3.500 3.647 3.618 3.668 0.168 17 0 "[ . 1 . 2 . 3]" 1
1161 1 25 GLN HA 1 25 GLN HG2 3.000 . 3.500 3.631 3.603 3.668 0.168 24 0 "[ . 1 . 2 . 3]" 1
1162 1 30 MET HA 1 30 MET HG3 3.000 . 3.500 2.157 1.980 2.549 . 0 0 "[ . 1 . 2 . 3]" 1
1163 1 30 MET HA 1 30 MET HG2 3.000 . 3.500 2.912 2.526 3.626 0.126 21 0 "[ . 1 . 2 . 3]" 1
1164 1 39 LEU HA 1 39 LEU HG 3.000 . 3.500 2.960 2.869 3.083 . 0 0 "[ . 1 . 2 . 3]" 1
1165 1 42 ARG HA 1 42 ARG HG3 3.000 . 3.500 3.463 3.224 3.676 0.176 18 0 "[ . 1 . 2 . 3]" 1
1166 1 42 ARG HA 1 42 ARG HG2 3.000 . 3.500 2.198 1.959 2.736 . 0 0 "[ . 1 . 2 . 3]" 1
1167 1 44 LYS HA 1 44 LYS HG3 3.000 . 3.500 3.068 2.358 3.604 0.104 10 0 "[ . 1 . 2 . 3]" 1
1168 1 44 LYS HA 1 44 LYS HG2 3.000 . 3.500 2.285 2.010 3.511 0.011 12 0 "[ . 1 . 2 . 3]" 1
1169 1 50 GLU HA 1 50 GLU QG 2.500 . 3.300 2.240 1.913 2.814 . 0 0 "[ . 1 . 2 . 3]" 1
1170 1 57 GLU HA 1 57 GLU HG3 3.000 . 3.500 3.331 3.002 3.620 0.120 10 0 "[ . 1 . 2 . 3]" 1
1171 1 57 GLU HA 1 57 GLU HG2 3.000 . 3.500 2.240 1.926 3.701 0.201 22 0 "[ . 1 . 2 . 3]" 1
1172 1 27 PHE HA 1 28 PRO QG 4.500 . 6.500 3.908 3.829 4.014 . 0 0 "[ . 1 . 2 . 3]" 1
1173 1 27 PHE HA 1 30 MET HG3 6.000 . 7.000 6.540 6.074 6.844 . 0 0 "[ . 1 . 2 . 3]" 1
1174 1 27 PHE HA 1 30 MET HG2 6.000 . 7.000 6.848 5.966 7.043 0.043 16 0 "[ . 1 . 2 . 3]" 1
1175 1 48 ASN HA 1 51 LYS HG3 4.500 . 5.500 3.568 2.054 4.895 . 0 0 "[ . 1 . 2 . 3]" 1
1176 1 48 ASN HA 1 51 LYS HG2 4.500 . 5.500 3.937 2.016 5.486 . 0 0 "[ . 1 . 2 . 3]" 1
1177 1 31 HIS HA 1 35 ILE MG 6.000 . 8.500 5.468 3.856 6.737 . 0 0 "[ . 1 . 2 . 3]" 1
1178 1 31 HIS HA 1 35 ILE MD 4.500 . 7.000 4.777 3.273 5.752 . 0 0 "[ . 1 . 2 . 3]" 1
1179 1 31 HIS HA 1 31 HIS HE1 6.000 . 7.000 6.305 5.143 6.612 . 0 0 "[ . 1 . 2 . 3]" 1
1180 1 31 HIS HA 1 31 HIS HD2 3.000 . 4.000 3.834 2.364 4.411 0.411 29 0 "[ . 1 . 2 . 3]" 1
1181 1 31 HIS HD2 1 32 ASN QB 4.500 . 6.500 5.264 3.621 5.805 . 0 0 "[ . 1 . 2 . 3]" 1
1182 1 31 HIS HE1 1 32 ASN HA 6.000 . 7.000 6.609 3.741 7.059 0.059 25 0 "[ . 1 . 2 . 3]" 1
1183 1 31 HIS HE1 1 32 ASN QB 4.500 . 6.500 5.223 4.440 5.836 . 0 0 "[ . 1 . 2 . 3]" 1
1184 1 31 HIS HE1 1 33 SER HA 4.500 . 5.500 5.046 4.645 5.658 0.158 14 0 "[ . 1 . 2 . 3]" 1
1185 1 31 HIS HE1 1 33 SER HB2 4.500 . 5.500 3.401 2.097 5.635 0.135 26 0 "[ . 1 . 2 . 3]" 1
1186 1 31 HIS HE1 1 33 SER HB3 4.500 . 5.500 3.204 1.949 5.563 0.063 21 0 "[ . 1 . 2 . 3]" 1
1187 1 65 HIS HA 1 65 HIS HE1 6.000 . 7.000 4.559 4.324 4.754 . 0 0 "[ . 1 . 2 . 3]" 1
1188 1 65 HIS HB2 1 65 HIS HD2 3.000 . 3.500 3.253 2.997 3.543 0.043 7 0 "[ . 1 . 2 . 3]" 1
1189 1 65 HIS HB3 1 65 HIS HD2 3.000 . 3.500 2.992 2.781 3.235 . 0 0 "[ . 1 . 2 . 3]" 1
1190 1 65 HIS HB2 1 65 HIS HE1 4.500 . 5.500 5.155 5.005 5.278 . 0 0 "[ . 1 . 2 . 3]" 1
1191 1 65 HIS HB3 1 65 HIS HE1 4.500 . 5.500 5.268 5.161 5.351 . 0 0 "[ . 1 . 2 . 3]" 1
1192 1 65 HIS HE1 1 66 LEU HA 6.000 . 7.000 5.165 4.366 6.596 . 0 0 "[ . 1 . 2 . 3]" 1
1193 1 65 HIS HE1 1 70 PRO QD 6.000 . 8.000 6.729 3.730 7.184 . 0 0 "[ . 1 . 2 . 3]" 1
1194 1 4 HIS HA 1 5 ILE MG 6.000 . 8.500 4.987 4.183 5.782 . 0 0 "[ . 1 . 2 . 3]" 1
1195 1 5 ILE MG 1 6 LYS HA 4.500 . 7.000 5.200 4.215 5.700 . 0 0 "[ . 1 . 2 . 3]" 1
1196 1 5 ILE MG 1 7 ARG HA 6.000 . 8.500 5.564 4.021 6.996 . 0 0 "[ . 1 . 2 . 3]" 1
1197 1 23 ILE HA 1 24 LEU MD1 6.000 . 8.500 5.983 5.725 6.247 . 0 0 "[ . 1 . 2 . 3]" 1
1198 1 23 ILE HA 1 27 PHE QD 3.000 . 5.400 3.448 2.967 4.275 . 0 0 "[ . 1 . 2 . 3]" 1
1199 1 23 ILE HA 1 27 PHE QE 4.500 . 7.900 3.955 3.118 4.799 . 0 0 "[ . 1 . 2 . 3]" 1
1200 1 23 ILE HA 1 27 PHE HZ 6.000 . 7.000 6.184 5.360 6.757 . 0 0 "[ . 1 . 2 . 3]" 1
1201 1 23 ILE MG 1 27 PHE QD 2.500 . 6.600 1.944 1.784 2.404 . 0 0 "[ . 1 . 2 . 3]" 1
1202 1 23 ILE MG 1 27 PHE QE 4.500 . 9.400 3.547 3.038 3.899 . 0 0 "[ . 1 . 2 . 3]" 1
1203 1 23 ILE MG 1 27 PHE HZ 4.500 . 7.000 5.413 5.011 5.633 . 0 0 "[ . 1 . 2 . 3]" 1
1204 1 35 ILE HA 1 35 ILE MG 2.500 . 3.300 2.389 2.326 2.465 . 0 0 "[ . 1 . 2 . 3]" 1
1205 1 35 ILE HA 1 35 ILE MD 3.000 . 5.000 2.109 1.965 2.346 . 0 0 "[ . 1 . 2 . 3]" 1
1206 1 35 ILE HA 1 38 ILE QG 4.500 . 6.500 3.072 2.734 3.585 . 0 0 "[ . 1 . 2 . 3]" 1
1207 1 35 ILE HA 1 38 ILE MG 4.500 . 7.000 3.327 3.087 3.511 . 0 0 "[ . 1 . 2 . 3]" 1
1208 1 35 ILE HA 1 38 ILE MD 3.000 . 5.000 2.037 1.743 2.746 . 0 0 "[ . 1 . 2 . 3]" 1
1209 1 38 ILE HA 1 38 ILE QG 2.500 . 3.300 2.191 2.038 2.425 . 0 0 "[ . 1 . 2 . 3]" 1
1210 1 38 ILE HA 1 38 ILE MG 2.500 . 3.300 2.576 2.489 2.651 . 0 0 "[ . 1 . 2 . 3]" 1
1211 1 38 ILE HA 1 38 ILE MD 3.000 . 5.000 2.737 2.229 3.481 . 0 0 "[ . 1 . 2 . 3]" 1
1212 1 38 ILE MG 1 39 LEU HA 4.500 . 7.000 3.056 2.834 3.262 . 0 0 "[ . 1 . 2 . 3]" 1
1213 1 38 ILE MG 1 39 LEU MD2 3.000 . 6.500 2.823 2.666 3.059 . 0 0 "[ . 1 . 2 . 3]" 1
1214 1 38 ILE MG 1 42 ARG HD3 4.500 . 7.000 4.437 2.915 4.980 . 0 0 "[ . 1 . 2 . 3]" 1
1215 1 38 ILE MG 1 42 ARG HD2 4.500 . 7.000 3.574 1.758 4.418 . 0 0 "[ . 1 . 2 . 3]" 1
1216 1 13 MET HG3 1 16 ALA MB 4.500 . 7.000 5.035 4.546 5.550 . 0 0 "[ . 1 . 2 . 3]" 1
1217 1 13 MET HG2 1 16 ALA MB 4.500 . 7.000 3.975 3.511 5.732 . 0 0 "[ . 1 . 2 . 3]" 1
1218 1 30 MET HA 1 34 ASN HB2 6.000 . 7.000 3.490 2.729 4.463 . 0 0 "[ . 1 . 2 . 3]" 1
1219 1 30 MET HA 1 34 ASN HB3 6.000 . 7.000 3.505 2.872 4.536 . 0 0 "[ . 1 . 2 . 3]" 1
1220 1 30 MET HA 1 31 HIS HD2 4.500 . 5.500 3.978 3.101 5.891 0.391 27 0 "[ . 1 . 2 . 3]" 1
1221 1 11 ALA MB 1 12 PHE QD 6.000 . 10.900 5.379 5.240 5.591 . 0 0 "[ . 1 . 2 . 3]" 1
1222 1 26 ALA HA 1 27 PHE QD 4.500 . 7.900 4.579 4.203 4.880 . 0 0 "[ . 1 . 2 . 3]" 1
1223 1 26 ALA MB 1 27 PHE QD 2.500 . 6.600 2.661 2.020 3.469 . 0 0 "[ . 1 . 2 . 3]" 1
1224 1 26 ALA MB 1 27 PHE QE 4.500 . 9.400 2.532 2.006 3.473 . 0 0 "[ . 1 . 2 . 3]" 1
1225 1 26 ALA MB 1 27 PHE HZ 4.500 . 7.000 3.371 2.701 3.916 . 0 0 "[ . 1 . 2 . 3]" 1
1226 1 12 PHE HA 1 12 PHE QE 3.000 . 5.900 4.673 4.549 4.823 . 0 0 "[ . 1 . 2 . 3]" 1
1227 1 12 PHE QD 1 13 MET HA 4.500 . 7.900 3.597 2.365 4.065 . 0 0 "[ . 1 . 2 . 3]" 1
1228 1 12 PHE QD 1 13 MET HG3 4.500 . 7.900 3.020 2.139 5.528 . 0 0 "[ . 1 . 2 . 3]" 1
1229 1 12 PHE QD 1 13 MET HG2 4.500 . 7.900 2.760 2.032 4.782 . 0 0 "[ . 1 . 2 . 3]" 1
1230 1 12 PHE QD 1 14 VAL MG1 6.000 . 10.900 6.723 6.584 6.822 . 0 0 "[ . 1 . 2 . 3]" 1
1231 1 12 PHE QD 1 14 VAL MG2 6.000 . 10.900 6.120 5.791 6.348 . 0 0 "[ . 1 . 2 . 3]" 1
1232 1 12 PHE QD 1 15 TRP H 6.000 . 9.400 5.045 4.803 5.206 . 0 0 "[ . 1 . 2 . 3]" 1
1233 1 12 PHE QD 1 15 TRP QB 4.500 . 8.900 4.668 4.447 5.230 . 0 0 "[ . 1 . 2 . 3]" 1
1234 1 12 PHE QD 1 15 TRP HD1 6.000 . 9.400 7.034 6.828 7.891 . 0 0 "[ . 1 . 2 . 3]" 1
1235 1 12 PHE QD 1 15 TRP HE3 4.500 . 7.900 2.891 2.395 3.778 . 0 0 "[ . 1 . 2 . 3]" 1
1236 1 12 PHE QD 1 15 TRP HH2 6.000 . 9.400 4.306 3.802 5.586 . 0 0 "[ . 1 . 2 . 3]" 1
1237 1 12 PHE QD 1 15 TRP HZ3 4.500 . 7.900 2.558 2.077 3.853 . 0 0 "[ . 1 . 2 . 3]" 1
1238 1 12 PHE QD 1 16 ALA MB 4.500 . 9.400 2.861 2.418 3.195 . 0 0 "[ . 1 . 2 . 3]" 1
1239 1 27 PHE HA 1 27 PHE HZ 6.000 . 7.000 6.088 5.898 6.433 . 0 0 "[ . 1 . 2 . 3]" 1
1240 1 27 PHE HA 1 30 MET ME 4.500 . 7.000 3.921 3.613 4.267 . 0 0 "[ . 1 . 2 . 3]" 1
1241 1 27 PHE QD 1 28 PRO HA 6.000 . 9.400 6.165 5.837 6.240 . 0 0 "[ . 1 . 2 . 3]" 1
1242 1 27 PHE QD 1 28 PRO HD3 4.500 . 7.900 4.793 4.392 4.928 . 0 0 "[ . 1 . 2 . 3]" 1
1243 1 27 PHE QD 1 28 PRO HD2 4.500 . 7.900 4.290 3.506 4.744 . 0 0 "[ . 1 . 2 . 3]" 1
1244 1 27 PHE QD 1 30 MET HB2 4.500 . 7.900 3.734 2.704 4.071 . 0 0 "[ . 1 . 2 . 3]" 1
1245 1 27 PHE QD 1 30 MET HB3 4.500 . 7.900 4.302 3.778 4.836 . 0 0 "[ . 1 . 2 . 3]" 1
1246 1 27 PHE QD 1 30 MET ME 2.500 . 6.600 2.503 1.931 2.912 . 0 0 "[ . 1 . 2 . 3]" 1
1247 1 27 PHE QE 1 30 MET ME 3.000 . 7.600 3.567 3.204 3.857 . 0 0 "[ . 1 . 2 . 3]" 1
1248 1 27 PHE HZ 1 30 MET ME 4.500 . 7.000 4.579 4.022 4.986 . 0 0 "[ . 1 . 2 . 3]" 1
1249 1 9 MET HA 1 14 VAL MG2 4.500 . 7.000 4.703 3.203 5.911 . 0 0 "[ . 1 . 2 . 3]" 1
1250 1 10 ASN HA 1 14 VAL MG2 6.000 . 8.500 3.784 2.944 4.695 . 0 0 "[ . 1 . 2 . 3]" 1
1251 1 11 ALA HA 1 14 VAL MG1 4.500 . 7.000 2.783 2.505 3.053 . 0 0 "[ . 1 . 2 . 3]" 1
1252 1 11 ALA HA 1 14 VAL MG2 3.000 . 5.000 2.777 2.434 3.116 . 0 0 "[ . 1 . 2 . 3]" 1
1253 1 13 MET H 1 14 VAL MG1 6.000 . 8.500 5.661 5.584 5.742 . 0 0 "[ . 1 . 2 . 3]" 1
1254 1 13 MET H 1 14 VAL MG2 4.500 . 7.000 4.289 4.029 4.467 . 0 0 "[ . 1 . 2 . 3]" 1
1255 1 13 MET HA 1 14 VAL MG2 4.500 . 7.000 5.060 4.880 5.179 . 0 0 "[ . 1 . 2 . 3]" 1
1256 1 14 VAL MG1 1 15 TRP HA 4.500 . 7.000 3.138 2.994 3.260 . 0 0 "[ . 1 . 2 . 3]" 1
1257 1 14 VAL MG1 1 15 TRP HD1 4.500 . 7.000 5.685 5.557 5.780 . 0 0 "[ . 1 . 2 . 3]" 1
1258 1 15 TRP HE3 1 16 ALA MB 3.000 . 5.000 1.802 1.766 1.868 . 0 0 "[ . 1 . 2 . 3]" 1
1259 1 15 TRP HH2 1 16 ALA HA 6.000 . 7.000 4.192 4.072 4.263 . 0 0 "[ . 1 . 2 . 3]" 1
1260 1 15 TRP HH2 1 16 ALA MB 4.500 . 7.000 3.692 3.589 3.789 . 0 0 "[ . 1 . 2 . 3]" 1
1261 1 15 TRP HH2 1 19 GLU HA 6.000 . 7.000 6.461 6.135 6.720 . 0 0 "[ . 1 . 2 . 3]" 1
1262 1 15 TRP HH2 1 19 GLU HB2 4.500 . 5.500 4.558 4.301 4.740 . 0 0 "[ . 1 . 2 . 3]" 1
1263 1 15 TRP HH2 1 19 GLU HB3 4.500 . 5.500 3.932 3.686 4.181 . 0 0 "[ . 1 . 2 . 3]" 1
1264 1 15 TRP HZ2 1 19 GLU HB2 4.500 . 5.500 4.315 3.991 4.554 . 0 0 "[ . 1 . 2 . 3]" 1
1265 1 15 TRP HZ2 1 19 GLU HB3 4.500 . 5.500 4.122 3.910 4.499 . 0 0 "[ . 1 . 2 . 3]" 1
1266 1 15 TRP HZ3 1 16 ALA MB 3.000 . 5.000 1.922 1.863 1.969 . 0 0 "[ . 1 . 2 . 3]" 1
1267 1 43 TRP HA 1 43 TRP HH2 6.000 . 7.000 5.878 5.771 5.983 . 0 0 "[ . 1 . 2 . 3]" 1
1268 1 43 TRP HA 1 43 TRP HZ3 4.500 . 5.500 4.422 4.244 4.601 . 0 0 "[ . 1 . 2 . 3]" 1
1269 1 43 TRP HB2 1 43 TRP HD1 3.000 . 3.500 3.642 3.597 3.671 0.171 19 0 "[ . 1 . 2 . 3]" 1
1270 1 43 TRP HB3 1 43 TRP HD1 3.000 . 3.500 2.550 2.539 2.565 . 0 0 "[ . 1 . 2 . 3]" 1
1271 1 43 TRP HD1 1 44 LYS HA 3.000 . 3.500 3.649 3.604 3.727 0.227 20 0 "[ . 1 . 2 . 3]" 1
1272 1 43 TRP HD1 1 44 LYS QB 4.500 . 6.500 4.552 4.152 4.815 . 0 0 "[ . 1 . 2 . 3]" 1
1273 1 43 TRP HD1 1 44 LYS HG3 4.500 . 5.500 3.636 2.603 5.172 . 0 0 "[ . 1 . 2 . 3]" 1
1274 1 43 TRP HD1 1 44 LYS HG2 4.500 . 5.500 3.632 2.512 5.531 0.031 12 0 "[ . 1 . 2 . 3]" 1
1275 1 43 TRP HD1 1 44 LYS QD 4.500 . 6.500 4.916 2.570 5.678 . 0 0 "[ . 1 . 2 . 3]" 1
1276 1 43 TRP HD1 1 46 MET ME 4.500 . 7.000 5.515 4.293 5.790 . 0 0 "[ . 1 . 2 . 3]" 1
1277 1 43 TRP HE3 1 46 MET HB2 4.500 . 5.500 5.038 4.134 5.577 0.077 30 0 "[ . 1 . 2 . 3]" 1
1278 1 43 TRP HE3 1 46 MET HB3 4.500 . 5.500 4.807 3.954 5.459 . 0 0 "[ . 1 . 2 . 3]" 1
1279 1 43 TRP HE3 1 46 MET HG3 6.000 . 7.000 4.295 2.665 6.260 . 0 0 "[ . 1 . 2 . 3]" 1
1280 1 43 TRP HE3 1 46 MET HG2 6.000 . 7.000 4.254 3.033 5.570 . 0 0 "[ . 1 . 2 . 3]" 1
1281 1 43 TRP HE3 1 46 MET ME 3.000 . 5.000 3.097 2.796 3.798 . 0 0 "[ . 1 . 2 . 3]" 1
1282 1 43 TRP HH2 1 46 MET HB2 6.000 . 7.000 6.154 5.793 6.567 . 0 0 "[ . 1 . 2 . 3]" 1
1283 1 43 TRP HH2 1 46 MET HB3 6.000 . 7.000 6.234 5.755 7.086 0.086 28 0 "[ . 1 . 2 . 3]" 1
1284 1 43 TRP HH2 1 46 MET HG3 6.000 . 7.000 6.110 5.356 6.835 . 0 0 "[ . 1 . 2 . 3]" 1
1285 1 43 TRP HH2 1 46 MET HG2 6.000 . 7.000 6.321 4.933 7.120 0.120 23 0 "[ . 1 . 2 . 3]" 1
1286 1 43 TRP HH2 1 46 MET ME 4.500 . 7.000 2.852 2.471 3.127 . 0 0 "[ . 1 . 2 . 3]" 1
1287 1 43 TRP HH2 1 48 ASN HA 6.000 . 7.000 6.404 5.200 7.026 0.026 6 0 "[ . 1 . 2 . 3]" 1
1288 1 43 TRP HZ2 1 46 MET ME 4.500 . 7.000 3.775 2.814 4.177 . 0 0 "[ . 1 . 2 . 3]" 1
1289 1 43 TRP HZ2 1 48 ASN HA 6.000 . 7.000 5.480 4.042 6.400 . 0 0 "[ . 1 . 2 . 3]" 1
1290 1 43 TRP HZ3 1 46 MET HB2 4.500 . 5.500 5.493 5.194 5.718 0.218 30 0 "[ . 1 . 2 . 3]" 1
1291 1 43 TRP HZ3 1 46 MET HB3 4.500 . 5.500 5.318 4.823 5.557 0.057 13 0 "[ . 1 . 2 . 3]" 1
1292 1 43 TRP HZ3 1 46 MET HG3 6.000 . 7.000 5.294 3.997 6.689 . 0 0 "[ . 1 . 2 . 3]" 1
1293 1 43 TRP HZ3 1 46 MET HG2 6.000 . 7.000 5.272 3.568 6.628 . 0 0 "[ . 1 . 2 . 3]" 1
1294 1 43 TRP HZ3 1 46 MET ME 3.000 . 5.000 2.499 2.007 3.103 . 0 0 "[ . 1 . 2 . 3]" 1
1295 1 20 ARG HA 1 24 LEU MD1 4.500 . 7.000 4.706 4.382 5.117 . 0 0 "[ . 1 . 2 . 3]" 1
1296 1 20 ARG HA 1 24 LEU MD2 4.500 . 7.000 5.723 5.427 5.860 . 0 0 "[ . 1 . 2 . 3]" 1
1297 1 20 ARG HD3 1 24 LEU MD1 4.500 . 7.000 4.276 2.998 5.483 . 0 0 "[ . 1 . 2 . 3]" 1
1298 1 20 ARG HD2 1 24 LEU MD1 3.000 . 5.000 3.660 3.071 4.032 . 0 0 "[ . 1 . 2 . 3]" 1
1299 1 20 ARG HD3 1 24 LEU MD2 4.500 . 7.000 4.702 3.303 5.742 . 0 0 "[ . 1 . 2 . 3]" 1
1300 1 20 ARG HD2 1 24 LEU MD2 4.500 . 7.000 3.816 3.069 5.315 . 0 0 "[ . 1 . 2 . 3]" 1
1301 1 42 ARG HA 1 42 ARG HD3 4.500 . 5.500 3.032 2.042 4.643 . 0 0 "[ . 1 . 2 . 3]" 1
1302 1 42 ARG HA 1 42 ARG HD2 4.500 . 5.500 4.047 3.455 4.796 . 0 0 "[ . 1 . 2 . 3]" 1
1303 1 24 LEU HA 1 24 LEU MD1 3.000 . 5.000 2.076 1.889 2.282 . 0 0 "[ . 1 . 2 . 3]" 1
1304 1 24 LEU HA 1 24 LEU MD2 3.000 . 5.000 3.714 3.674 3.800 . 0 0 "[ . 1 . 2 . 3]" 1
1305 1 24 LEU MD1 1 25 GLN HA 4.500 . 7.000 5.575 5.313 5.764 . 0 0 "[ . 1 . 2 . 3]" 1
1306 1 24 LEU MD1 1 27 PHE HA 6.000 . 8.500 5.130 4.772 5.350 . 0 0 "[ . 1 . 2 . 3]" 1
1307 1 24 LEU MD1 1 28 PRO HA 3.000 . 5.000 2.830 1.844 3.328 . 0 0 "[ . 1 . 2 . 3]" 1
1308 1 24 LEU MD2 1 28 PRO HA 4.500 . 7.000 3.249 3.032 3.509 . 0 0 "[ . 1 . 2 . 3]" 1
1309 1 36 SER HA 1 39 LEU MD1 3.000 . 5.000 3.245 2.682 3.612 . 0 0 "[ . 1 . 2 . 3]" 1
1310 1 36 SER HA 1 39 LEU MD2 4.500 . 7.000 5.050 4.775 5.243 . 0 0 "[ . 1 . 2 . 3]" 1
1311 1 38 ILE HA 1 39 LEU MD2 6.000 . 8.500 5.492 5.364 5.682 . 0 0 "[ . 1 . 2 . 3]" 1
1312 1 39 LEU HA 1 39 LEU MD2 2.500 . 4.200 1.882 1.805 2.003 . 0 0 "[ . 1 . 2 . 3]" 1
1313 1 39 LEU MD1 1 40 GLY QA 6.000 . 9.500 4.953 4.846 5.048 . 0 0 "[ . 1 . 2 . 3]" 1
1314 1 39 LEU MD2 1 40 GLY QA 4.500 . 8.000 5.040 4.898 5.204 . 0 0 "[ . 1 . 2 . 3]" 1
1315 1 39 LEU MD2 1 42 ARG HA 4.500 . 7.000 5.621 5.459 5.765 . 0 0 "[ . 1 . 2 . 3]" 1
1316 1 39 LEU MD2 1 42 ARG HB2 4.500 . 7.000 3.146 2.934 3.540 . 0 0 "[ . 1 . 2 . 3]" 1
1317 1 39 LEU MD2 1 42 ARG HB3 4.500 . 7.000 3.848 3.679 4.541 . 0 0 "[ . 1 . 2 . 3]" 1
1318 1 39 LEU MD2 1 42 ARG HG3 4.500 . 7.000 3.674 2.972 4.152 . 0 0 "[ . 1 . 2 . 3]" 1
1319 1 39 LEU MD2 1 42 ARG HG2 4.500 . 7.000 4.958 4.357 5.320 . 0 0 "[ . 1 . 2 . 3]" 1
1320 1 39 LEU MD2 1 42 ARG HD3 4.500 . 7.000 5.015 2.800 5.736 . 0 0 "[ . 1 . 2 . 3]" 1
1321 1 39 LEU MD2 1 42 ARG HD2 4.500 . 7.000 4.272 3.459 5.557 . 0 0 "[ . 1 . 2 . 3]" 1
1322 1 39 LEU MD1 1 43 TRP HB2 6.000 . 8.500 5.541 5.347 5.791 . 0 0 "[ . 1 . 2 . 3]" 1
1323 1 39 LEU MD1 1 43 TRP HB3 6.000 . 8.500 6.697 6.509 6.943 . 0 0 "[ . 1 . 2 . 3]" 1
1324 1 39 LEU MD2 1 43 TRP HB2 6.000 . 8.500 4.677 4.410 5.018 . 0 0 "[ . 1 . 2 . 3]" 1
1325 1 39 LEU MD2 1 43 TRP HB3 6.000 . 8.500 5.958 5.702 6.271 . 0 0 "[ . 1 . 2 . 3]" 1
1326 1 39 LEU MD2 1 43 TRP HE3 6.000 . 8.500 5.020 4.814 5.263 . 0 0 "[ . 1 . 2 . 3]" 1
1327 1 39 LEU MD2 1 43 TRP HZ3 6.000 . 8.500 6.261 5.988 6.459 . 0 0 "[ . 1 . 2 . 3]" 1
1328 1 49 LEU HA 1 49 LEU MD1 2.500 . 4.200 2.833 1.819 3.656 . 0 0 "[ . 1 . 2 . 3]" 1
1329 1 49 LEU HA 1 49 LEU MD2 2.500 . 4.200 2.976 1.876 3.682 . 0 0 "[ . 1 . 2 . 3]" 1
1330 1 49 LEU MD1 1 50 GLU HA 4.500 . 7.000 5.472 3.834 5.948 . 0 0 "[ . 1 . 2 . 3]" 1
1331 1 49 LEU MD2 1 50 GLU HA 4.500 . 7.000 4.472 2.649 5.822 . 0 0 "[ . 1 . 2 . 3]" 1
1332 1 65 HIS HE1 1 66 LEU MD1 6.000 . 8.500 6.356 3.645 7.150 . 0 0 "[ . 1 . 2 . 3]" 1
1333 1 65 HIS HE1 1 66 LEU MD2 6.000 . 8.500 5.943 4.443 6.985 . 0 0 "[ . 1 . 2 . 3]" 1
1334 1 65 HIS HD2 1 66 LEU MD1 4.500 . 7.000 4.496 2.440 5.758 . 0 0 "[ . 1 . 2 . 3]" 1
1335 1 65 HIS HD2 1 66 LEU MD2 4.500 . 7.000 5.095 2.553 5.879 . 0 0 "[ . 1 . 2 . 3]" 1
1336 1 27 PHE HA 1 28 PRO HD3 2.500 . 2.700 2.746 2.726 2.775 0.075 19 0 "[ . 1 . 2 . 3]" 1
1337 1 27 PHE HA 1 28 PRO HD2 2.500 . 2.700 1.990 1.893 2.122 . 0 0 "[ . 1 . 2 . 3]" 1
1338 1 29 ASP HA 1 31 HIS HD2 6.000 . 7.000 6.124 3.435 7.012 0.012 13 0 "[ . 1 . 2 . 3]" 1
1339 1 32 ASN HA 1 35 ILE QG 4.500 . 6.500 3.767 2.564 6.046 . 0 0 "[ . 1 . 2 . 3]" 1
1340 1 34 ASN HA 1 35 ILE MG 6.000 . 8.500 6.089 6.041 6.128 . 0 0 "[ . 1 . 2 . 3]" 1
1341 1 34 ASN HA 1 38 ILE MD 4.500 . 7.000 3.763 3.407 4.067 . 0 0 "[ . 1 . 2 . 3]" 1
1342 1 40 GLY QA 1 43 TRP HB2 4.500 . 6.500 2.861 2.590 3.088 . 0 0 "[ . 1 . 2 . 3]" 1
1343 1 40 GLY QA 1 43 TRP HB3 4.500 . 6.500 2.543 2.398 2.709 . 0 0 "[ . 1 . 2 . 3]" 1
1344 1 40 GLY QA 1 43 TRP HD1 4.500 . 6.500 4.195 3.979 4.486 . 0 0 "[ . 1 . 2 . 3]" 1
1345 1 44 LYS HA 1 44 LYS QD 3.000 . 4.500 3.635 2.120 4.132 . 0 0 "[ . 1 . 2 . 3]" 1
1346 1 52 GLN HB2 1 53 PRO HD3 4.500 . 5.500 2.380 1.826 4.017 . 0 0 "[ . 1 . 2 . 3]" 1
1347 1 52 GLN HB2 1 53 PRO HD2 4.500 . 5.500 3.570 2.993 4.837 . 0 0 "[ . 1 . 2 . 3]" 1
1348 1 52 GLN HB3 1 53 PRO HD3 4.500 . 5.500 3.197 1.912 4.038 . 0 0 "[ . 1 . 2 . 3]" 1
1349 1 52 GLN HB3 1 53 PRO HD2 4.500 . 5.500 4.221 3.275 4.756 . 0 0 "[ . 1 . 2 . 3]" 1
1350 1 52 GLN QG 1 53 PRO HD3 4.500 . 6.500 2.721 1.668 4.055 . 0 0 "[ . 1 . 2 . 3]" 1
1351 1 52 GLN QG 1 53 PRO HD2 4.500 . 6.500 3.554 2.695 4.711 . 0 0 "[ . 1 . 2 . 3]" 1
1352 1 50 GLU HA 1 54 TYR QE 6.000 . 9.400 4.626 3.973 6.530 . 0 0 "[ . 1 . 2 . 3]" 1
1353 1 52 GLN HA 1 55 TYR QD 2.500 . 5.100 3.537 2.130 4.839 . 0 0 "[ . 1 . 2 . 3]" 1
1354 1 52 GLN HA 1 55 TYR QE 4.500 . 7.900 5.277 3.958 6.268 . 0 0 "[ . 1 . 2 . 3]" 1
1355 1 52 GLN QG 1 54 TYR QE 6.000 . 10.400 6.408 5.094 7.649 . 0 0 "[ . 1 . 2 . 3]" 1
1356 1 52 GLN QG 1 55 TYR QD 4.500 . 8.900 5.052 3.582 6.125 . 0 0 "[ . 1 . 2 . 3]" 1
1357 1 52 GLN QG 1 55 TYR QE 4.500 . 8.900 6.251 5.145 7.310 . 0 0 "[ . 1 . 2 . 3]" 1
1358 1 53 PRO HB2 1 54 TYR QD 4.500 . 7.900 3.307 2.916 4.075 . 0 0 "[ . 1 . 2 . 3]" 1
1359 1 53 PRO HB3 1 54 TYR QD 4.500 . 7.900 4.897 4.519 5.385 . 0 0 "[ . 1 . 2 . 3]" 1
1360 1 53 PRO HB2 1 54 TYR QE 4.500 . 7.900 3.557 3.183 4.446 . 0 0 "[ . 1 . 2 . 3]" 1
1361 1 53 PRO HB3 1 54 TYR QE 4.500 . 7.900 4.892 4.528 5.314 . 0 0 "[ . 1 . 2 . 3]" 1
1362 1 53 PRO HD3 1 54 TYR QE 4.500 . 7.900 5.211 4.511 5.683 . 0 0 "[ . 1 . 2 . 3]" 1
1363 1 53 PRO HD2 1 54 TYR QE 4.500 . 7.900 4.137 3.461 4.613 . 0 0 "[ . 1 . 2 . 3]" 1
1364 1 53 PRO HD3 1 54 TYR QD 4.500 . 7.900 5.259 3.915 5.632 . 0 0 "[ . 1 . 2 . 3]" 1
1365 1 53 PRO HD2 1 54 TYR QD 4.500 . 7.900 3.874 2.228 4.309 . 0 0 "[ . 1 . 2 . 3]" 1
1366 1 53 PRO HD3 1 55 TYR QD 4.500 . 7.900 6.159 5.582 6.639 . 0 0 "[ . 1 . 2 . 3]" 1
1367 1 53 PRO HD2 1 55 TYR QD 4.500 . 7.900 5.160 4.748 5.874 . 0 0 "[ . 1 . 2 . 3]" 1
1368 1 53 PRO HD3 1 55 TYR QE 6.000 . 9.400 7.913 7.253 8.434 . 0 0 "[ . 1 . 2 . 3]" 1
1369 1 53 PRO HD2 1 55 TYR QE 6.000 . 9.400 6.885 6.066 7.631 . 0 0 "[ . 1 . 2 . 3]" 1
1370 1 54 TYR HA 1 54 TYR QE 3.000 . 5.900 4.540 4.331 4.970 . 0 0 "[ . 1 . 2 . 3]" 1
1371 1 54 TYR QD 1 55 TYR HA 6.000 . 9.400 5.727 5.247 5.869 . 0 0 "[ . 1 . 2 . 3]" 1
1372 1 54 TYR QE 1 55 TYR HB2 6.000 . 9.400 7.282 6.710 7.508 . 0 0 "[ . 1 . 2 . 3]" 1
1373 1 54 TYR QE 1 55 TYR HB3 6.000 . 9.400 8.658 8.215 8.763 . 0 0 "[ . 1 . 2 . 3]" 1
1374 1 65 HIS HA 1 69 TYR QD 4.500 . 7.900 4.872 2.749 6.170 . 0 0 "[ . 1 . 2 . 3]" 1
1375 1 65 HIS HA 1 69 TYR QE 6.000 . 9.400 4.831 3.074 7.337 . 0 0 "[ . 1 . 2 . 3]" 1
1376 1 66 LEU HA 1 69 TYR QD 4.500 . 7.900 4.289 2.487 5.497 . 0 0 "[ . 1 . 2 . 3]" 1
1377 1 66 LEU HA 1 69 TYR QE 6.000 . 9.400 5.267 1.877 7.640 . 0 0 "[ . 1 . 2 . 3]" 1
1378 1 68 LYS HA 1 69 TYR QD 4.500 . 7.900 4.728 3.940 5.930 . 0 0 "[ . 1 . 2 . 3]" 1
1379 1 68 LYS HA 1 69 TYR QE 4.500 . 7.900 5.722 4.446 7.324 . 0 0 "[ . 1 . 2 . 3]" 1
1380 1 68 LYS HB2 1 69 TYR QD 4.500 . 7.900 3.264 2.084 5.050 . 0 0 "[ . 1 . 2 . 3]" 1
1381 1 68 LYS HB3 1 69 TYR QD 4.500 . 7.900 3.337 2.147 4.816 . 0 0 "[ . 1 . 2 . 3]" 1
1382 1 69 TYR QD 1 71 ASP QB 6.000 . 10.400 7.098 4.441 8.102 . 0 0 "[ . 1 . 2 . 3]" 1
1383 1 70 PRO HB2 1 72 TYR QD 6.000 . 9.400 6.768 5.126 8.093 . 0 0 "[ . 1 . 2 . 3]" 1
1384 1 70 PRO HB3 1 72 TYR QD 6.000 . 9.400 7.345 5.887 8.635 . 0 0 "[ . 1 . 2 . 3]" 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 48
_Distance_constraint_stats_list.Viol_count 467
_Distance_constraint_stats_list.Viol_total 643.727
_Distance_constraint_stats_list.Viol_max 0.199
_Distance_constraint_stats_list.Viol_rms 0.0282
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0149
_Distance_constraint_stats_list.Viol_average_violations_only 0.0459
_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 12 PHE 3.937 0.117 3 0 "[ . 1 . 2 . 3]"
1 13 MET 1.077 0.115 23 0 "[ . 1 . 2 . 3]"
1 15 TRP 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 16 ALA 4.593 0.117 3 0 "[ . 1 . 2 . 3]"
1 17 LYS 1.285 0.115 23 0 "[ . 1 . 2 . 3]"
1 18 ASP 1.661 0.109 23 0 "[ . 1 . 2 . 3]"
1 19 GLU 0.024 0.024 13 0 "[ . 1 . 2 . 3]"
1 20 ARG 2.990 0.098 29 0 "[ . 1 . 2 . 3]"
1 21 ARG 0.657 0.049 8 0 "[ . 1 . 2 . 3]"
1 22 LYS 1.661 0.109 23 0 "[ . 1 . 2 . 3]"
1 23 ILE 0.024 0.024 13 0 "[ . 1 . 2 . 3]"
1 24 LEU 2.335 0.098 29 0 "[ . 1 . 2 . 3]"
1 25 GLN 0.449 0.049 8 0 "[ . 1 . 2 . 3]"
1 35 ILE 0.109 0.031 4 0 "[ . 1 . 2 . 3]"
1 36 SER 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 37 LYS 1.579 0.092 23 0 "[ . 1 . 2 . 3]"
1 38 ILE 0.363 0.075 9 0 "[ . 1 . 2 . 3]"
1 39 LEU 1.462 0.106 30 0 "[ . 1 . 2 . 3]"
1 40 GLY 2.819 0.096 12 0 "[ . 1 . 2 . 3]"
1 41 SER 1.579 0.092 23 0 "[ . 1 . 2 . 3]"
1 42 ARG 0.363 0.075 9 0 "[ . 1 . 2 . 3]"
1 43 TRP 1.353 0.106 30 0 "[ . 1 . 2 . 3]"
1 44 LYS 2.819 0.096 12 0 "[ . 1 . 2 . 3]"
1 55 TYR 1.464 0.153 2 0 "[ . 1 . 2 . 3]"
1 56 GLU 0.030 0.027 17 0 "[ . 1 . 2 . 3]"
1 57 GLU 1.311 0.199 8 0 "[ . 1 . 2 . 3]"
1 58 GLN 0.247 0.114 20 0 "[ . 1 . 2 . 3]"
1 59 ALA 1.768 0.153 2 0 "[ . 1 . 2 . 3]"
1 60 ARG 0.262 0.057 18 0 "[ . 1 . 2 . 3]"
1 61 LEU 1.480 0.199 8 0 "[ . 1 . 2 . 3]"
1 62 SER 0.967 0.114 20 0 "[ . 1 . 2 . 3]"
1 63 LYS 0.715 0.070 7 0 "[ . 1 . 2 . 3]"
1 64 GLN 0.232 0.057 18 0 "[ . 1 . 2 . 3]"
1 65 HIS 0.169 0.045 18 0 "[ . 1 . 2 . 3]"
1 66 LEU 0.720 0.089 6 0 "[ . 1 . 2 . 3]"
1 67 GLU 0.411 0.070 7 0 "[ . 1 . 2 . 3]"
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 12 PHE O 1 16 ALA N 3.300 2.500 3.500 2.398 2.383 2.420 0.117 3 0 "[ . 1 . 2 . 3]" 2
2 1 12 PHE O 1 16 ALA H 2.300 . 2.500 1.472 1.439 1.519 0.061 22 0 "[ . 1 . 2 . 3]" 2
3 1 13 MET O 1 17 LYS N 3.300 2.500 3.500 3.171 3.061 3.312 . 0 0 "[ . 1 . 2 . 3]" 2
4 1 13 MET O 1 17 LYS H 2.300 . 2.500 2.525 2.408 2.615 0.115 23 0 "[ . 1 . 2 . 3]" 2
5 1 15 TRP O 1 19 GLU N 3.300 2.500 3.500 2.931 2.738 3.174 . 0 0 "[ . 1 . 2 . 3]" 2
6 1 15 TRP O 1 19 GLU H 2.300 . 2.500 2.042 1.857 2.256 . 0 0 "[ . 1 . 2 . 3]" 2
7 1 16 ALA O 1 20 ARG N 3.300 2.500 3.500 2.483 2.434 2.568 0.066 27 0 "[ . 1 . 2 . 3]" 2
8 1 16 ALA O 1 20 ARG H 2.300 . 2.500 1.622 1.537 1.749 . 0 0 "[ . 1 . 2 . 3]" 2
9 1 17 LYS O 1 21 ARG N 3.300 2.500 3.500 3.241 2.995 3.439 . 0 0 "[ . 1 . 2 . 3]" 2
10 1 17 LYS O 1 21 ARG H 2.300 . 2.500 2.431 2.198 2.549 0.049 1 0 "[ . 1 . 2 . 3]" 2
11 1 18 ASP O 1 22 LYS N 3.300 2.500 3.500 2.446 2.391 2.521 0.109 23 0 "[ . 1 . 2 . 3]" 2
12 1 18 ASP O 1 22 LYS H 2.300 . 2.500 1.576 1.486 1.638 0.014 23 0 "[ . 1 . 2 . 3]" 2
13 1 19 GLU O 1 23 ILE N 3.300 2.500 3.500 2.738 2.476 3.038 0.024 13 0 "[ . 1 . 2 . 3]" 2
14 1 19 GLU O 1 23 ILE H 2.300 . 2.500 2.115 1.785 2.457 . 0 0 "[ . 1 . 2 . 3]" 2
15 1 20 ARG O 1 24 LEU N 3.300 2.500 3.500 2.439 2.402 2.530 0.098 29 0 "[ . 1 . 2 . 3]" 2
16 1 20 ARG O 1 24 LEU H 2.300 . 2.500 1.491 1.460 1.597 0.040 26 0 "[ . 1 . 2 . 3]" 2
17 1 21 ARG O 1 25 GLN N 3.300 2.500 3.500 3.300 2.970 3.406 . 0 0 "[ . 1 . 2 . 3]" 2
18 1 21 ARG O 1 25 GLN H 2.300 . 2.500 2.484 2.212 2.549 0.049 8 0 "[ . 1 . 2 . 3]" 2
19 1 35 ILE O 1 39 LEU N 3.300 2.500 3.500 2.568 2.469 2.715 0.031 4 0 "[ . 1 . 2 . 3]" 2
20 1 35 ILE O 1 39 LEU H 2.300 . 2.500 1.607 1.501 1.756 . 0 0 "[ . 1 . 2 . 3]" 2
21 1 36 SER O 1 40 GLY N 3.300 2.500 3.500 2.831 2.559 3.138 . 0 0 "[ . 1 . 2 . 3]" 2
22 1 36 SER O 1 40 GLY H 2.300 . 2.500 1.927 1.675 2.180 . 0 0 "[ . 1 . 2 . 3]" 2
23 1 37 LYS O 1 41 SER N 3.300 2.500 3.500 2.994 2.770 3.067 . 0 0 "[ . 1 . 2 . 3]" 2
24 1 37 LYS O 1 41 SER H 2.300 . 2.500 2.545 2.286 2.592 0.092 23 0 "[ . 1 . 2 . 3]" 2
25 1 38 ILE O 1 42 ARG N 3.300 2.500 3.500 2.531 2.425 2.697 0.075 9 0 "[ . 1 . 2 . 3]" 2
26 1 38 ILE O 1 42 ARG H 2.300 . 2.500 1.951 1.823 2.087 . 0 0 "[ . 1 . 2 . 3]" 2
27 1 39 LEU O 1 43 TRP N 3.300 2.500 3.500 2.464 2.394 2.619 0.106 30 0 "[ . 1 . 2 . 3]" 2
28 1 39 LEU O 1 43 TRP H 2.300 . 2.500 1.543 1.474 1.668 0.026 30 0 "[ . 1 . 2 . 3]" 2
29 1 40 GLY O 1 44 LYS N 3.300 2.500 3.500 3.523 3.474 3.561 0.061 30 0 "[ . 1 . 2 . 3]" 2
30 1 40 GLY O 1 44 LYS H 2.300 . 2.500 2.568 2.529 2.596 0.096 12 0 "[ . 1 . 2 . 3]" 2
31 1 55 TYR O 1 59 ALA N 3.300 2.500 3.500 3.378 3.000 3.547 0.047 11 0 "[ . 1 . 2 . 3]" 2
32 1 55 TYR O 1 59 ALA H 2.300 . 2.500 2.436 2.039 2.653 0.153 2 0 "[ . 1 . 2 . 3]" 2
33 1 56 GLU O 1 60 ARG N 3.300 2.500 3.500 3.088 2.735 3.440 . 0 0 "[ . 1 . 2 . 3]" 2
34 1 56 GLU O 1 60 ARG H 2.300 . 2.500 2.224 1.883 2.527 0.027 17 0 "[ . 1 . 2 . 3]" 2
35 1 57 GLU O 1 61 LEU N 3.300 2.500 3.500 3.394 2.954 3.524 0.024 18 0 "[ . 1 . 2 . 3]" 2
36 1 57 GLU O 1 61 LEU H 2.300 . 2.500 2.463 1.985 2.699 0.199 8 0 "[ . 1 . 2 . 3]" 2
37 1 58 GLN O 1 62 SER N 3.300 2.500 3.500 2.894 2.386 3.363 0.114 20 0 "[ . 1 . 2 . 3]" 2
38 1 58 GLN O 1 62 SER H 2.300 . 2.500 2.135 1.479 2.534 0.034 7 0 "[ . 1 . 2 . 3]" 2
39 1 59 ALA O 1 63 LYS N 3.300 2.500 3.500 3.211 2.803 3.510 0.010 24 0 "[ . 1 . 2 . 3]" 2
40 1 59 ALA O 1 63 LYS H 2.300 . 2.500 2.377 1.997 2.553 0.053 11 0 "[ . 1 . 2 . 3]" 2
41 1 60 ARG O 1 64 GLN N 3.300 2.500 3.500 3.209 2.526 3.527 0.027 20 0 "[ . 1 . 2 . 3]" 2
42 1 60 ARG O 1 64 GLN H 2.300 . 2.500 2.269 1.656 2.557 0.057 18 0 "[ . 1 . 2 . 3]" 2
43 1 61 LEU O 1 65 HIS N 3.300 2.500 3.500 3.003 2.552 3.365 . 0 0 "[ . 1 . 2 . 3]" 2
44 1 61 LEU O 1 65 HIS H 2.300 . 2.500 2.307 1.816 2.545 0.045 18 0 "[ . 1 . 2 . 3]" 2
45 1 62 SER O 1 66 LEU N 3.300 2.500 3.500 3.326 2.519 3.526 0.026 22 0 "[ . 1 . 2 . 3]" 2
46 1 62 SER O 1 66 LEU H 2.300 . 2.500 2.400 1.680 2.589 0.089 6 0 "[ . 1 . 2 . 3]" 2
47 1 63 LYS O 1 67 GLU N 3.300 2.500 3.500 3.303 2.928 3.496 . 0 0 "[ . 1 . 2 . 3]" 2
48 1 63 LYS O 1 67 GLU H 2.300 . 2.500 2.422 2.052 2.570 0.070 7 0 "[ . 1 . 2 . 3]" 2
stop_
save_
Contact the webmaster for help, if required. Friday, April 26, 2024 5:46:55 PM GMT (wattos1)