NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
391940 |
1pon   |
3118 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1pon
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 573
_Distance_constraint_stats_list.Viol_count 1926
_Distance_constraint_stats_list.Viol_total 2542.281
_Distance_constraint_stats_list.Viol_max 0.463
_Distance_constraint_stats_list.Viol_rms 0.0204
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0025
_Distance_constraint_stats_list.Viol_average_violations_only 0.0314
_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 2 LYS 0.103 0.039 36 0 "[ . 1 . 2 . 3 . 4 ]"
1 3 SER 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 ]"
1 4 GLU 0.071 0.011 19 0 "[ . 1 . 2 . 3 . 4 ]"
1 5 GLU 1.701 0.263 25 0 "[ . 1 . 2 . 3 . 4 ]"
1 6 GLU 0.289 0.036 7 0 "[ . 1 . 2 . 3 . 4 ]"
1 7 LEU 0.106 0.011 19 0 "[ . 1 . 2 . 3 . 4 ]"
1 8 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 ]"
1 9 ASN 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 ]"
1 10 ALA 0.001 0.001 13 0 "[ . 1 . 2 . 3 . 4 ]"
1 11 PHE 3.849 0.067 11 0 "[ . 1 . 2 . 3 . 4 ]"
1 12 ARG 0.031 0.013 25 0 "[ . 1 . 2 . 3 . 4 ]"
1 13 ILE 0.168 0.007 15 0 "[ . 1 . 2 . 3 . 4 ]"
1 14 PHE 0.170 0.007 15 0 "[ . 1 . 2 . 3 . 4 ]"
1 15 ASP 1.412 0.019 15 0 "[ . 1 . 2 . 3 . 4 ]"
1 16 LYS 0.925 0.048 6 0 "[ . 1 . 2 . 3 . 4 ]"
1 17 ASN 0.050 0.034 4 0 "[ . 1 . 2 . 3 . 4 ]"
1 18 ALA 0.074 0.034 4 0 "[ . 1 . 2 . 3 . 4 ]"
1 19 ASP 0.001 0.000 2 0 "[ . 1 . 2 . 3 . 4 ]"
1 20 GLY 0.732 0.060 7 0 "[ . 1 . 2 . 3 . 4 ]"
1 21 TYR 0.037 0.026 20 0 "[ . 1 . 2 . 3 . 4 ]"
1 22 ILE 0.115 0.023 26 0 "[ . 1 . 2 . 3 . 4 ]"
1 23 ASP 0.127 0.055 26 0 "[ . 1 . 2 . 3 . 4 ]"
1 24 ILE 0.559 0.017 39 0 "[ . 1 . 2 . 3 . 4 ]"
1 25 GLU 0.237 0.012 39 0 "[ . 1 . 2 . 3 . 4 ]"
1 26 GLU 1.034 0.055 26 0 "[ . 1 . 2 . 3 . 4 ]"
1 27 LEU 2.716 0.052 13 0 "[ . 1 . 2 . 3 . 4 ]"
1 28 GLY 0.017 0.005 24 0 "[ . 1 . 2 . 3 . 4 ]"
1 29 GLU 0.026 0.017 27 0 "[ . 1 . 2 . 3 . 4 ]"
1 30 ILE 0.060 0.007 18 0 "[ . 1 . 2 . 3 . 4 ]"
1 31 LEU 0.448 0.016 24 0 "[ . 1 . 2 . 3 . 4 ]"
1 32 ARG 0.005 0.002 23 0 "[ . 1 . 2 . 3 . 4 ]"
1 33 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 ]"
1 34 THR 0.443 0.059 24 0 "[ . 1 . 2 . 3 . 4 ]"
2 2 VAL 0.001 0.001 8 0 "[ . 1 . 2 . 3 . 4 ]"
2 3 THR 0.001 0.001 8 0 "[ . 1 . 2 . 3 . 4 ]"
2 4 GLU 0.007 0.005 41 0 "[ . 1 . 2 . 3 . 4 ]"
2 5 GLU 0.004 0.001 15 0 "[ . 1 . 2 . 3 . 4 ]"
2 6 ASP 0.011 0.002 5 0 "[ . 1 . 2 . 3 . 4 ]"
2 7 ILE 0.162 0.011 20 0 "[ . 1 . 2 . 3 . 4 ]"
2 8 GLU 0.258 0.013 3 0 "[ . 1 . 2 . 3 . 4 ]"
2 9 ASP 0.392 0.013 3 0 "[ . 1 . 2 . 3 . 4 ]"
2 10 LEU 3.180 0.040 30 0 "[ . 1 . 2 . 3 . 4 ]"
2 11 MET 0.015 0.002 11 0 "[ . 1 . 2 . 3 . 4 ]"
2 12 LYS 0.801 0.065 7 0 "[ . 1 . 2 . 3 . 4 ]"
2 13 ASP 0.056 0.023 38 0 "[ . 1 . 2 . 3 . 4 ]"
2 14 SER 0.025 0.010 36 0 "[ . 1 . 2 . 3 . 4 ]"
2 15 ASP 0.031 0.013 36 0 "[ . 1 . 2 . 3 . 4 ]"
2 16 LYS 1.033 0.065 26 0 "[ . 1 . 2 . 3 . 4 ]"
2 17 ASN 0.287 0.046 19 0 "[ . 1 . 2 . 3 . 4 ]"
2 18 ASN 0.912 0.063 7 0 "[ . 1 . 2 . 3 . 4 ]"
2 19 ASP 0.065 0.063 7 0 "[ . 1 . 2 . 3 . 4 ]"
2 20 GLY 0.688 0.062 36 0 "[ . 1 . 2 . 3 . 4 ]"
2 21 ARG 0.141 0.026 20 0 "[ . 1 . 2 . 3 . 4 ]"
2 22 ILE 6.559 0.058 28 0 "[ . 1 . 2 . 3 . 4 ]"
2 23 ASP 0.203 0.106 9 0 "[ . 1 . 2 . 3 . 4 ]"
2 24 PHE 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 ]"
2 25 ASP 27.192 0.463 36 0 "[ . 1 . 2 . 3 . 4 ]"
2 26 GLU 19.478 0.368 11 0 "[ . 1 . 2 . 3 . 4 ]"
2 27 PHE 3.831 0.092 22 0 "[ . 1 . 2 . 3 . 4 ]"
2 28 LEU 1.793 0.065 5 0 "[ . 1 . 2 . 3 . 4 ]"
2 29 LYS 0.123 0.027 25 0 "[ . 1 . 2 . 3 . 4 ]"
2 30 MET 0.479 0.262 26 0 "[ . 1 . 2 . 3 . 4 ]"
2 31 MET 0.048 0.020 1 0 "[ . 1 . 2 . 3 . 4 ]"
2 32 GLU 0.299 0.046 23 0 "[ . 1 . 2 . 3 . 4 ]"
2 33 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 ]"
2 34 VAL 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 ]"
2 35 GLN 0.129 0.043 36 0 "[ . 1 . 2 . 3 . 4 ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 2 22 ILE HA 2 22 ILE MD 3.000 . 4.600 3.920 3.861 3.943 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
2 2 22 ILE HA 2 22 ILE HG13 3.000 . 3.000 3.025 3.019 3.034 0.034 35 0 "[ . 1 . 2 . 3 . 4 ]" 1
3 2 22 ILE HA 2 22 ILE MG 3.000 . 4.600 2.640 2.612 2.700 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
4 2 22 ILE HA 2 22 ILE HG12 3.000 . 3.000 2.495 2.390 2.540 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
5 1 11 PHE QD 1 22 ILE MD 3.000 . 6.600 2.693 1.444 3.924 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
6 1 11 PHE QE 1 22 ILE MD 3.000 . 6.600 2.945 1.730 3.899 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
7 1 11 PHE QE 1 22 ILE HG13 3.000 . 5.000 2.498 1.370 4.598 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
8 1 11 PHE QE 1 22 ILE HG12 3.000 . 5.000 3.437 1.596 4.548 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
9 1 22 ILE MD 2 27 PHE QD 3.000 . 6.600 2.578 1.608 4.306 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
10 2 27 PHE QD 2 28 LEU MD1 3.000 . 9.700 4.918 4.591 5.690 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
11 2 27 PHE QD 2 28 LEU MD2 3.000 . 9.700 4.103 3.180 5.234 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
12 2 27 PHE QD 2 28 LEU HG 3.000 . 5.000 3.663 3.105 4.896 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
13 2 27 PHE QD 2 30 MET ME 2.500 . 6.100 2.785 1.314 4.169 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
14 1 14 PHE QR 1 22 ILE MD 3.000 . 7.000 2.843 1.911 4.129 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
15 1 14 PHE QR 1 30 ILE MG 4.000 . 8.000 2.588 1.381 3.345 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
16 1 14 PHE HZ 1 30 ILE MG 3.000 . 4.600 3.554 2.774 3.854 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
17 2 24 PHE QE 2 28 LEU MD1 3.000 . 9.700 3.246 1.976 4.223 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
18 2 24 PHE QE 2 28 LEU MD2 3.000 . 9.700 3.412 2.658 4.293 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
19 2 24 PHE HZ 2 28 LEU MD1 3.000 . 9.700 4.460 3.736 5.205 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
20 2 24 PHE HZ 2 28 LEU MD2 3.000 . 9.700 4.360 3.394 5.238 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
21 1 8 ALA MB 2 24 PHE HZ 4.000 . 5.600 2.728 1.977 3.479 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
22 1 8 ALA MB 2 24 PHE QE 3.000 . 6.600 2.629 1.415 3.679 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
23 2 29 LYS H 2 29 LYS QG 3.000 . 4.000 2.749 1.673 3.663 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
24 2 28 LEU HB2 2 29 LYS H 3.000 . 3.000 2.801 2.497 3.004 0.004 2 0 "[ . 1 . 2 . 3 . 4 ]" 1
25 2 29 LYS H 2 29 LYS HB2 2.500 . 4.300 2.628 1.902 3.612 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
26 2 29 LYS H 2 29 LYS HB3 2.500 . 4.300 2.998 1.916 3.595 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
27 1 7 LEU HB3 2 24 PHE QE 3.000 . 5.000 2.936 2.031 4.204 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
28 1 10 ALA MB 2 27 PHE HZ 2.500 . 4.100 3.128 2.497 3.264 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
29 1 30 ILE H 1 30 ILE HG12 2.500 . 4.300 3.522 2.696 4.267 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
30 1 30 ILE H 1 30 ILE HG13 0.000 . 4.300 3.691 2.668 4.299 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
31 1 13 ILE H 1 13 ILE HG12 3.000 . 3.000 2.886 2.677 2.997 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
32 1 13 ILE H 1 13 ILE HB 2.500 . 2.500 2.395 2.363 2.455 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
33 2 27 PHE QE 2 31 MET ME 2.500 . 5.700 3.411 1.757 4.413 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
34 1 7 LEU HB3 2 27 PHE QE 3.000 . 5.000 3.240 2.702 4.767 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
35 1 30 ILE H 1 30 ILE HB 2.500 . 2.500 2.450 2.353 2.505 0.005 40 0 "[ . 1 . 2 . 3 . 4 ]" 1
36 1 12 ARG H 1 12 ARG HB2 2.500 . 4.300 2.769 2.210 3.716 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
37 1 12 ARG H 1 12 ARG HB3 2.500 . 4.300 2.999 2.227 3.723 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
38 2 7 ILE H 2 7 ILE MD 3.000 . 4.600 2.948 2.208 3.729 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
39 2 7 ILE H 2 7 ILE MG 3.000 . 4.600 3.882 3.805 3.930 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
40 2 34 VAL H 2 34 VAL QG 3.000 . 7.700 2.632 1.936 3.251 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
41 1 16 LYS H 1 16 LYS QG 3.000 . 4.000 2.771 1.567 3.640 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
42 2 31 MET HG2 2 32 GLU H 3.000 . 4.800 3.966 2.345 4.820 0.020 1 0 "[ . 1 . 2 . 3 . 4 ]" 1
43 2 31 MET HG3 2 32 GLU H 3.000 . 4.800 4.007 1.991 4.805 0.005 6 0 "[ . 1 . 2 . 3 . 4 ]" 1
44 2 7 ILE H 2 7 ILE HG12 2.500 . 4.300 4.012 2.887 4.311 0.011 20 0 "[ . 1 . 2 . 3 . 4 ]" 1
45 2 7 ILE H 2 7 ILE HG13 2.500 . 4.300 3.713 2.863 4.306 0.006 4 0 "[ . 1 . 2 . 3 . 4 ]" 1
46 1 16 LYS H 1 16 LYS QB 2.500 . 3.500 2.783 2.219 3.221 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
47 2 7 ILE H 2 7 ILE HB 2.500 . 2.500 2.426 2.348 2.500 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
48 1 13 ILE MG 1 14 PHE H 3.000 . 4.600 3.446 3.294 3.573 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
49 1 30 ILE MG 1 31 LEU H 3.000 . 4.600 2.894 2.472 3.173 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
50 2 21 ARG H 2 21 ARG HG2 3.000 . 4.800 3.340 1.900 4.750 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
51 2 21 ARG H 2 21 ARG HG3 0.000 . 4.800 3.398 1.989 4.731 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
52 2 21 ARG H 2 21 ARG HB3 3.000 . 4.800 3.491 2.150 4.002 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
53 2 10 LEU H 2 10 LEU HB2 2.500 . 2.500 2.537 2.536 2.539 0.039 11 0 "[ . 1 . 2 . 3 . 4 ]" 1
54 1 13 ILE HB 1 14 PHE H 3.000 . 3.000 2.980 2.894 3.002 0.002 31 0 "[ . 1 . 2 . 3 . 4 ]" 1
55 2 10 LEU H 2 10 LEU HB3 2.500 . 2.500 2.538 2.536 2.540 0.040 30 0 "[ . 1 . 2 . 3 . 4 ]" 1
56 1 30 ILE HB 1 31 LEU H 2.500 . 2.500 2.474 2.218 2.507 0.007 40 0 "[ . 1 . 2 . 3 . 4 ]" 1
57 1 24 ILE MG 1 25 GLU H 2.500 . 4.100 2.603 2.354 3.043 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
58 1 34 THR H 1 34 THR MG 4.000 . 5.600 2.899 1.601 4.169 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
59 1 18 ALA H 1 18 ALA MB 2.500 . 4.100 3.001 2.872 3.077 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
60 1 8 ALA MB 1 9 ASN H 2.500 . 4.100 2.216 2.003 2.598 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
61 1 31 LEU H 1 31 LEU HB2 2.500 . 4.300 3.333 2.966 3.744 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
62 1 31 LEU H 1 31 LEU HB3 2.500 . 4.300 3.290 2.588 3.731 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
63 1 15 ASP H 1 15 ASP HB3 2.500 . 2.500 2.517 2.515 2.518 0.018 30 0 "[ . 1 . 2 . 3 . 4 ]" 1
64 1 31 LEU H 1 31 LEU HG 2.500 . 2.500 2.161 1.898 2.499 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
65 1 33 ALA MB 1 34 THR H 2.500 . 4.100 2.646 1.769 3.428 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
66 2 16 LYS H 2 16 LYS HD2 2.500 . 4.300 3.495 2.010 4.279 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
67 2 16 LYS H 2 16 LYS HD3 2.500 . 4.300 3.325 1.982 4.302 0.002 17 0 "[ . 1 . 2 . 3 . 4 ]" 1
68 2 16 LYS H 2 16 LYS HG2 3.000 . 4.800 3.448 1.927 4.819 0.019 30 0 "[ . 1 . 2 . 3 . 4 ]" 1
69 2 16 LYS H 2 16 LYS HG3 3.000 . 4.800 3.885 1.899 4.781 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
70 2 31 MET H 2 31 MET HB2 3.000 . 4.800 2.745 2.160 3.802 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
71 2 31 MET H 2 31 MET HB3 3.000 . 4.800 2.904 2.280 3.777 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
72 1 10 ALA H 1 10 ALA MB 2.500 . 4.100 2.244 2.224 2.272 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
73 2 2 VAL H 2 2 VAL QG 2.500 . 6.700 2.583 1.796 3.432 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
74 2 34 VAL QG 2 35 GLN H 2.500 . 6.700 2.703 1.733 3.698 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
75 2 22 ILE MD 2 30 MET H 5.000 . 6.600 5.157 4.779 5.352 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
76 1 24 ILE HB 1 25 GLU H 5.000 . 5.000 3.912 3.785 4.246 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
77 1 27 LEU HB2 1 28 GLY H 2.500 . 4.300 3.729 3.515 4.017 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
78 1 27 LEU HB3 1 28 GLY H 2.500 . 4.300 2.295 1.990 2.773 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
79 2 12 LYS HB2 2 13 ASP H 2.500 . 4.300 3.492 2.756 4.323 0.023 38 0 "[ . 1 . 2 . 3 . 4 ]" 1
80 2 12 LYS HB3 2 13 ASP H 2.500 . 4.300 3.686 2.964 4.309 0.009 36 0 "[ . 1 . 2 . 3 . 4 ]" 1
81 2 29 LYS HB2 2 30 MET H 2.500 . 4.800 3.170 2.219 4.435 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
82 2 29 LYS HB3 2 30 MET H 2.500 . 4.800 3.375 2.284 4.265 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
83 2 12 LYS H 2 12 LYS HB2 2.500 . 4.300 2.638 2.066 3.860 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
84 2 12 LYS H 2 12 LYS HB3 2.500 . 4.300 3.216 2.175 3.773 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
85 2 12 LYS H 2 12 LYS HD2 3.000 . 4.800 4.281 2.852 4.811 0.011 3 0 "[ . 1 . 2 . 3 . 4 ]" 1
86 2 12 LYS H 2 12 LYS HD3 3.000 . 4.800 4.118 2.107 4.805 0.005 13 0 "[ . 1 . 2 . 3 . 4 ]" 1
87 2 12 LYS H 2 12 LYS HG2 3.000 . 4.800 3.781 2.234 4.753 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
88 2 12 LYS H 2 12 LYS HG3 3.000 . 4.800 3.796 1.947 4.815 0.015 13 0 "[ . 1 . 2 . 3 . 4 ]" 1
89 2 28 LEU H 2 28 LEU MD1 3.000 . 7.700 3.413 3.136 3.731 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
90 2 28 LEU H 2 28 LEU MD2 3.000 . 7.700 3.881 3.636 4.007 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
91 2 28 LEU H 2 28 LEU HG 2.500 . 2.500 2.501 2.455 2.510 0.010 6 0 "[ . 1 . 2 . 3 . 4 ]" 1
92 2 28 LEU H 2 28 LEU HB2 2.500 . 2.500 2.507 2.489 2.518 0.018 6 0 "[ . 1 . 2 . 3 . 4 ]" 1
93 2 28 LEU H 2 28 LEU HB3 4.000 . 4.000 3.696 3.688 3.699 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
94 1 2 LYS H 1 2 LYS HB3 3.000 . 4.000 3.526 2.346 4.002 0.002 16 0 "[ . 1 . 2 . 3 . 4 ]" 1
95 1 2 LYS H 1 2 LYS HB2 4.000 . 4.000 3.215 2.175 4.014 0.014 36 0 "[ . 1 . 2 . 3 . 4 ]" 1
96 1 7 LEU H 1 7 LEU MD1 3.000 . 7.700 3.666 1.893 4.428 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
97 1 7 LEU H 1 7 LEU MD2 3.000 . 7.700 3.096 2.082 4.363 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
98 1 27 LEU MD1 2 11 MET H 3.000 . 7.700 5.008 3.471 6.374 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
99 1 27 LEU MD2 2 11 MET H 3.000 . 7.700 5.138 3.742 6.293 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
100 1 24 ILE H 1 24 ILE MG 3.000 . 4.600 2.727 2.586 2.983 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
101 1 7 LEU H 1 7 LEU HB2 2.500 . 2.500 2.474 2.367 2.506 0.006 5 0 "[ . 1 . 2 . 3 . 4 ]" 1
102 1 7 LEU H 1 7 LEU HB3 4.000 . 4.000 3.697 3.651 3.736 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
103 1 10 ALA MB 1 11 PHE H 3.000 . 4.600 2.539 2.323 2.736 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
104 1 7 LEU H 1 7 LEU HG 3.500 . 3.500 3.227 2.759 3.501 0.001 35 0 "[ . 1 . 2 . 3 . 4 ]" 1
105 2 10 LEU HB3 2 11 MET H 2.500 . 2.500 2.451 2.325 2.501 0.001 38 0 "[ . 1 . 2 . 3 . 4 ]" 1
106 1 24 ILE H 1 24 ILE HB 2.500 . 2.500 2.460 2.360 2.505 0.005 17 0 "[ . 1 . 2 . 3 . 4 ]" 1
107 1 8 ALA H 1 8 ALA MB 2.500 . 4.100 2.234 2.229 2.285 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
108 1 7 LEU MD1 1 8 ALA H 4.000 . 8.700 4.803 3.983 5.221 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
109 1 7 LEU MD2 1 8 ALA H 4.000 . 8.700 4.637 4.129 5.368 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
110 1 26 GLU H 1 27 LEU HB2 3.000 . 4.800 4.717 4.485 4.852 0.052 13 0 "[ . 1 . 2 . 3 . 4 ]" 1
111 1 26 GLU H 1 27 LEU HB3 3.000 . 4.800 4.742 4.528 4.811 0.011 16 0 "[ . 1 . 2 . 3 . 4 ]" 1
112 2 22 ILE MG 2 26 GLU H 4.000 . 5.600 3.867 3.628 4.296 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
113 2 2 VAL QG 2 3 THR H 3.000 . 7.700 3.275 2.145 3.890 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
114 2 3 THR H 2 3 THR MG 3.000 . 4.600 3.267 1.855 4.209 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
115 1 27 LEU H 1 27 LEU HB3 2.500 . 2.500 2.527 2.523 2.532 0.032 32 0 "[ . 1 . 2 . 3 . 4 ]" 1
116 1 27 LEU H 1 27 LEU HG 5.000 . 5.000 4.637 4.598 4.679 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
117 1 27 LEU H 1 27 LEU HB2 2.500 . 2.500 2.524 2.508 2.528 0.028 19 0 "[ . 1 . 2 . 3 . 4 ]" 1
118 2 22 ILE MG 2 23 ASP H 3.000 . 4.600 2.659 2.207 3.403 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
119 2 22 ILE MG 2 27 PHE H 3.000 . 4.600 3.155 2.970 3.484 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
120 2 22 ILE H 2 22 ILE MG 4.000 . 5.600 3.898 3.848 3.919 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
121 2 21 ARG HB3 2 22 ILE H 4.000 . 5.800 3.339 2.311 4.458 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
122 2 21 ARG HB2 2 22 ILE H 0.000 . 5.800 3.477 2.073 4.443 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
123 2 22 ILE H 2 22 ILE HG12 3.000 . 4.000 4.035 4.027 4.051 0.051 19 0 "[ . 1 . 2 . 3 . 4 ]" 1
124 2 22 ILE H 2 22 ILE HG13 4.000 . 4.000 2.960 2.902 3.090 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
125 2 11 MET ME 2 22 ILE H 4.000 . 5.100 3.718 3.043 4.257 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
126 1 22 ILE H 1 22 ILE HG12 4.000 . 5.800 3.611 2.334 4.288 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
127 1 22 ILE H 1 22 ILE HG13 4.000 . 5.800 3.142 2.720 4.418 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
128 2 22 ILE HA 2 22 ILE HB 3.000 . 3.000 3.055 3.045 3.058 0.058 28 0 "[ . 1 . 2 . 3 . 4 ]" 1
129 1 21 TYR HA 1 21 TYR HB2 2.500 . 4.300 3.047 2.418 3.089 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
130 1 21 TYR HA 1 21 TYR HB3 2.500 . 4.300 2.517 2.287 2.894 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
131 2 11 MET ME 2 22 ILE HA 4.000 . 5.600 4.381 3.881 4.659 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
132 2 23 ASP HA 2 23 ASP HB3 2.500 . 2.500 2.476 2.447 2.506 0.006 15 0 "[ . 1 . 2 . 3 . 4 ]" 1
133 2 23 ASP HA 2 23 ASP HB2 2.500 . 2.500 2.486 2.452 2.509 0.009 40 0 "[ . 1 . 2 . 3 . 4 ]" 1
134 1 11 PHE HB3 1 11 PHE QD 2.500 . 4.900 2.490 2.314 2.818 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
135 1 11 PHE HB2 1 11 PHE QD 2.500 . 4.900 2.586 2.341 2.852 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
136 1 11 PHE HA 1 11 PHE QD 2.500 . 4.900 2.830 2.168 3.334 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
137 1 11 PHE QD 2 27 PHE HB2 4.000 . 6.000 3.094 2.221 4.317 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
138 2 24 PHE HB3 2 24 PHE QD 3.000 . 5.000 2.624 2.387 2.822 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
139 2 24 PHE HB2 2 24 PHE QD 2.500 . 4.500 2.566 2.334 2.841 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
140 1 11 PHE HB3 2 24 PHE QD 3.000 . 5.000 3.969 2.874 4.661 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
141 1 11 PHE HB2 2 24 PHE QD 4.000 . 6.000 3.906 2.909 4.832 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
142 2 24 PHE HA 2 24 PHE QD 2.500 . 4.900 2.512 1.911 3.250 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
143 1 21 TYR QD 2 21 ARG HG2 0.000 . 7.800 4.941 2.324 6.988 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
144 1 21 TYR QD 2 21 ARG HG3 4.000 . 7.800 4.736 2.165 6.756 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
145 1 21 TYR HB2 1 21 TYR QD 2.500 . 4.900 2.602 2.317 2.843 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
146 1 21 TYR HB3 1 21 TYR QD 2.500 . 4.900 2.545 2.302 2.831 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
147 1 21 TYR QD 2 23 ASP HB3 3.000 . 5.400 3.326 2.071 4.759 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
148 1 21 TYR QE 2 23 ASP HB3 3.000 . 5.400 3.586 1.980 5.049 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
149 1 11 PHE QE 2 24 PHE HB3 4.000 . 6.000 4.413 3.185 5.226 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
150 1 11 PHE QE 2 27 PHE HB3 3.000 . 5.000 3.851 3.100 4.733 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
151 1 11 PHE QE 1 20 GLY HA2 0.000 . 6.800 3.820 2.196 5.660 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
152 1 11 PHE QE 1 20 GLY HA3 3.000 . 6.800 4.575 3.483 5.945 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
153 1 11 PHE QE 2 24 PHE HA 3.000 . 5.400 2.670 1.544 3.405 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
154 1 11 PHE HB3 2 27 PHE QD 4.000 . 6.000 4.431 3.363 5.069 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
155 2 27 PHE HB3 2 27 PHE QD 2.500 . 4.500 2.445 2.303 2.855 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
156 2 27 PHE HB2 2 27 PHE QD 2.500 . 4.500 2.646 2.377 2.827 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
157 2 27 PHE QD 2 28 LEU HA 3.000 . 5.400 3.997 2.979 4.969 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
158 2 32 GLU H 2 32 GLU HB3 4.000 . 4.000 3.132 2.192 4.012 0.012 10 0 "[ . 1 . 2 . 3 . 4 ]" 1
159 2 32 GLU H 2 32 GLU HB2 3.000 . 4.000 2.767 2.161 3.901 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
160 2 34 VAL H 2 34 VAL HB 3.000 . 3.000 2.687 2.325 3.000 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
161 1 29 GLU HB2 1 30 ILE H 3.000 . 4.800 3.632 2.737 4.391 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
162 1 29 GLU HB3 1 30 ILE H 3.000 . 4.800 3.467 2.547 4.398 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
163 1 29 GLU H 1 29 GLU HB3 3.000 . 4.800 3.054 2.151 3.745 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
164 1 29 GLU H 1 29 GLU HB2 3.000 . 4.800 2.715 2.146 3.749 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
165 1 29 GLU H 1 29 GLU HG3 3.000 . 4.800 3.952 2.533 4.817 0.017 27 0 "[ . 1 . 2 . 3 . 4 ]" 1
166 1 29 GLU H 1 29 GLU HG2 3.000 . 4.800 3.876 2.080 4.802 0.002 16 0 "[ . 1 . 2 . 3 . 4 ]" 1
167 1 11 PHE HB2 1 12 ARG H 4.000 . 4.000 3.946 3.673 4.013 0.013 25 0 "[ . 1 . 2 . 3 . 4 ]" 1
168 2 18 ASN HB3 2 18 ASN HD22 4.000 . 4.000 3.743 3.512 4.012 0.012 21 0 "[ . 1 . 2 . 3 . 4 ]" 1
169 1 11 PHE HB3 1 12 ARG H 3.000 . 3.000 2.656 2.181 2.798 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
170 1 30 ILE H 1 30 ILE HA 3.000 . 3.000 2.983 2.931 3.007 0.007 18 0 "[ . 1 . 2 . 3 . 4 ]" 1
171 1 13 ILE H 1 13 ILE HA 3.000 . 3.000 2.987 2.981 2.994 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
172 2 5 GLU HB2 2 6 ASP H 3.000 . 4.800 3.595 2.690 4.419 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
173 2 5 GLU HB3 2 6 ASP H 3.000 . 4.800 3.646 2.803 4.449 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
174 1 14 PHE H 1 14 PHE HB2 3.000 . 3.000 2.386 2.311 2.560 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
175 2 18 ASN H 2 18 ASN HB2 3.500 . 3.500 3.470 3.302 3.557 0.057 7 0 "[ . 1 . 2 . 3 . 4 ]" 1
176 2 9 ASP HB2 2 10 LEU H 4.000 . 4.000 2.859 2.640 3.102 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
177 2 13 ASP HB2 2 14 SER H 4.000 . 4.000 3.928 3.562 4.010 0.010 36 0 "[ . 1 . 2 . 3 . 4 ]" 1
178 2 13 ASP HB3 2 14 SER H 3.000 . 3.000 2.707 2.057 3.001 0.001 10 0 "[ . 1 . 2 . 3 . 4 ]" 1
179 1 15 ASP H 1 15 ASP HB2 2.500 . 2.500 2.517 2.515 2.519 0.019 15 0 "[ . 1 . 2 . 3 . 4 ]" 1
180 1 14 PHE HB2 1 15 ASP H 3.000 . 3.000 2.534 2.084 3.002 0.002 9 0 "[ . 1 . 2 . 3 . 4 ]" 1
181 2 25 ASP H 2 25 ASP HB3 3.000 . 3.000 2.744 2.151 3.463 0.463 36 0 "[ . 1 . 2 . 3 . 4 ]" 1
182 2 25 ASP H 2 25 ASP HB2 2.500 . 3.000 2.963 2.896 3.016 0.016 31 0 "[ . 1 . 2 . 3 . 4 ]" 1
183 2 6 ASP HB2 2 7 ILE H 3.000 . 3.000 2.860 2.610 3.002 0.002 5 0 "[ . 1 . 2 . 3 . 4 ]" 1
184 2 6 ASP H 2 6 ASP HB2 2.500 . 2.500 2.342 2.239 2.475 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
185 2 7 ILE HA 2 10 LEU H 4.000 . 4.000 3.664 3.240 3.983 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
186 2 14 SER H 2 14 SER HB2 4.000 . 5.800 2.788 2.206 3.728 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
187 2 14 SER H 2 14 SER HB3 4.000 . 5.800 3.156 2.201 3.762 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
188 1 25 GLU H 1 25 GLU HB2 2.500 . 4.300 2.599 2.200 3.742 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
189 1 25 GLU H 1 25 GLU HB3 0.000 . 4.300 3.159 2.272 3.768 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
190 1 21 TYR H 1 21 TYR HB2 2.500 . 4.300 2.791 2.491 3.937 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
191 1 21 TYR H 1 21 TYR HB3 2.500 . 4.300 3.812 3.149 3.961 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
192 1 9 ASN H 1 9 ASN HB3 3.000 . 4.000 3.704 3.630 3.746 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
193 1 9 ASN H 1 9 ASN HB2 3.000 . 3.000 2.714 2.357 2.999 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
194 1 17 ASN H 1 17 ASN HB2 3.000 . 4.800 3.025 2.171 4.138 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
195 1 17 ASN H 1 17 ASN HB3 3.000 . 4.800 3.179 2.214 3.936 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
196 1 5 GLU HB2 1 6 GLU H 3.000 . 4.800 3.945 2.627 4.383 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
197 1 5 GLU HB3 1 6 GLU H 3.000 . 4.800 2.864 2.063 4.452 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
198 1 6 GLU H 1 6 GLU HB2 2.500 . 4.300 2.893 2.155 3.765 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
199 1 6 GLU H 1 6 GLU HB3 2.500 . 4.300 2.891 2.129 3.771 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
200 1 6 GLU H 1 6 GLU HG2 4.000 . 5.800 3.790 1.953 4.825 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
201 2 8 GLU H 2 8 GLU HB2 2.500 . 3.500 2.770 2.210 3.506 0.006 33 0 "[ . 1 . 2 . 3 . 4 ]" 1
202 2 8 GLU H 2 8 GLU HB3 2.500 . 3.500 3.013 2.235 3.504 0.004 25 0 "[ . 1 . 2 . 3 . 4 ]" 1
203 2 30 MET H 2 30 MET HB3 2.500 . 3.000 2.516 2.170 3.262 0.262 26 0 "[ . 1 . 2 . 3 . 4 ]" 1
204 2 30 MET H 2 30 MET HB2 3.000 . 3.000 2.624 2.282 3.217 0.217 26 0 "[ . 1 . 2 . 3 . 4 ]" 1
205 2 11 MET HB2 2 12 LYS H 3.000 . 4.800 4.072 2.707 4.488 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
206 2 11 MET HB3 2 12 LYS H 3.000 . 4.800 3.272 2.639 4.061 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
207 2 8 GLU H 2 8 GLU HG2 3.000 . 4.000 3.829 2.330 4.002 0.002 25 0 "[ . 1 . 2 . 3 . 4 ]" 1
208 2 8 GLU H 2 8 GLU HG3 3.000 . 4.000 3.787 1.977 4.002 0.002 33 0 "[ . 1 . 2 . 3 . 4 ]" 1
209 2 15 ASP H 2 15 ASP HB3 3.000 . 3.000 2.742 2.573 2.897 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
210 2 15 ASP H 2 15 ASP HB2 2.500 . 2.500 2.366 2.233 2.502 0.002 37 0 "[ . 1 . 2 . 3 . 4 ]" 1
211 2 13 ASP H 2 13 ASP HB2 3.000 . 3.000 2.712 2.593 2.920 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
212 2 13 ASP H 2 13 ASP HB3 3.000 . 3.000 2.630 2.448 2.738 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
213 1 20 GLY HA2 1 21 TYR H 3.000 . 4.800 3.347 3.030 3.607 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
214 1 20 GLY HA3 1 21 TYR H 3.000 . 4.800 3.263 2.667 3.518 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
215 1 9 ASN HB3 1 10 ALA H 3.000 . 4.000 3.502 3.055 3.864 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
216 1 9 ASN HB2 1 10 ALA H 4.000 . 4.000 2.598 2.306 2.898 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
217 1 28 GLY H 1 28 GLY HA2 2.500 . 3.000 2.873 2.696 3.004 0.004 12 0 "[ . 1 . 2 . 3 . 4 ]" 1
218 1 28 GLY H 1 28 GLY HA3 3.000 . 3.000 2.428 2.411 2.500 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
219 2 7 ILE HA 2 8 GLU H 5.000 . 5.000 3.543 3.497 3.610 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
220 2 8 GLU H 2 8 GLU HA 3.000 . 3.000 2.998 2.996 3.002 0.002 32 0 "[ . 1 . 2 . 3 . 4 ]" 1
221 2 5 GLU H 2 5 GLU HB2 2.500 . 4.300 2.744 2.101 3.700 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
222 2 5 GLU H 2 5 GLU HB3 2.500 . 4.300 3.116 2.176 3.703 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
223 2 8 GLU HB2 2 9 ASP H 3.000 . 4.800 3.670 3.133 4.378 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
224 2 8 GLU HB3 2 9 ASP H 3.000 . 4.800 3.509 3.248 4.380 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
225 1 5 GLU H 1 5 GLU HB2 2.500 . 3.000 2.678 2.174 3.263 0.263 25 0 "[ . 1 . 2 . 3 . 4 ]" 1
226 1 5 GLU H 1 5 GLU HB3 3.000 . 3.000 2.550 2.182 3.262 0.262 4 0 "[ . 1 . 2 . 3 . 4 ]" 1
227 2 11 MET H 2 11 MET HB2 2.500 . 4.300 2.446 2.134 2.826 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
228 2 11 MET H 2 11 MET HB3 2.500 . 4.300 2.807 2.351 3.687 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
229 1 5 GLU H 1 5 GLU HG2 4.000 . 5.800 4.448 1.903 4.851 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
230 2 9 ASP H 2 9 ASP HB2 2.500 . 2.500 2.323 2.269 2.452 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
231 2 9 ASP H 2 9 ASP HB3 4.000 . 4.000 3.626 3.592 3.689 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
232 1 11 PHE H 1 11 PHE HB3 2.500 . 2.500 2.513 2.509 2.518 0.018 28 0 "[ . 1 . 2 . 3 . 4 ]" 1
233 1 11 PHE H 1 11 PHE HB2 2.500 . 2.500 2.513 2.507 2.516 0.016 10 0 "[ . 1 . 2 . 3 . 4 ]" 1
234 1 11 PHE H 1 11 PHE HA 3.000 . 3.000 2.913 2.864 2.940 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
235 2 28 LEU H 2 28 LEU HA 3.000 . 3.000 2.876 2.847 2.931 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
236 2 27 PHE HB3 2 28 LEU H 3.000 . 3.000 2.295 2.110 2.654 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
237 1 23 ASP HB2 1 24 ILE H 2.500 . 4.300 2.365 2.094 2.585 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
238 1 23 ASP HB3 1 24 ILE H 2.500 . 4.300 3.650 3.339 3.895 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
239 2 8 GLU HA 2 11 MET H 5.000 . 5.000 3.643 3.016 4.176 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
240 2 8 GLU HA 2 9 ASP H 4.000 . 4.000 3.507 3.483 3.529 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
241 1 26 GLU H 1 26 GLU HB3 2.500 . 4.300 3.399 2.458 3.775 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
242 1 4 GLU H 1 4 GLU HB2 3.000 . 4.800 3.449 2.331 4.263 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
243 1 4 GLU H 1 4 GLU HB3 3.000 . 4.800 3.566 2.311 4.231 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
244 1 26 GLU HB3 1 27 LEU H 4.000 . 4.000 3.856 3.665 4.005 0.005 38 0 "[ . 1 . 2 . 3 . 4 ]" 1
245 1 26 GLU HB2 1 27 LEU H 3.000 . 4.000 3.403 2.888 4.033 0.033 32 0 "[ . 1 . 2 . 3 . 4 ]" 1
246 1 23 ASP H 1 23 ASP HB2 3.000 . 4.800 3.821 3.631 3.985 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
247 1 23 ASP H 1 23 ASP HB3 3.000 . 4.800 3.203 2.878 3.555 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
248 1 26 GLU H 1 26 GLU HG3 3.000 . 3.000 2.933 2.659 3.002 0.002 19 0 "[ . 1 . 2 . 3 . 4 ]" 1
249 1 26 GLU H 1 26 GLU HB2 0.000 . 4.300 2.787 2.408 3.766 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
250 1 25 GLU HB2 1 26 GLU H 2.500 . 4.300 3.583 2.939 4.303 0.003 11 0 "[ . 1 . 2 . 3 . 4 ]" 1
251 1 25 GLU HB3 1 26 GLU H 0.000 . 4.300 3.448 2.908 4.308 0.008 32 0 "[ . 1 . 2 . 3 . 4 ]" 1
252 2 24 PHE H 2 24 PHE HB2 2.500 . 2.500 2.407 2.323 2.480 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
253 2 25 ASP HB3 2 26 GLU H 2.500 . 3.000 2.651 2.155 3.277 0.277 6 0 "[ . 1 . 2 . 3 . 4 ]" 1
254 2 25 ASP HB2 2 26 GLU H 3.000 . 3.000 2.693 1.876 3.368 0.368 11 0 "[ . 1 . 2 . 3 . 4 ]" 1
255 2 23 ASP HB3 2 24 PHE H 4.000 . 4.000 3.631 3.476 3.808 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
256 2 26 GLU H 2 26 GLU HG2 2.500 . 4.300 2.700 1.899 4.107 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
257 2 26 GLU H 2 26 GLU HG3 2.500 . 4.300 2.969 2.158 4.108 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
258 2 3 THR H 2 6 ASP HB2 3.000 . 4.800 2.916 1.996 3.814 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
259 2 3 THR H 2 6 ASP HB3 3.000 . 4.800 4.319 3.468 4.801 0.001 8 0 "[ . 1 . 2 . 3 . 4 ]" 1
260 2 23 ASP HB2 2 24 PHE H 2.500 . 2.500 2.135 1.968 2.418 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
261 1 23 ASP HB2 1 26 GLU H 3.000 . 4.800 3.917 3.460 4.432 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
262 1 23 ASP HB3 1 26 GLU H 3.000 . 4.800 4.776 4.664 4.855 0.055 26 0 "[ . 1 . 2 . 3 . 4 ]" 1
263 2 23 ASP H 2 26 GLU HG3 5.000 . 5.000 3.044 2.071 4.834 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
264 2 23 ASP H 2 26 GLU HG2 2.500 . 5.000 3.912 2.487 4.915 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
265 2 22 ILE H 2 22 ILE HB 2.500 . 2.500 2.474 2.417 2.505 0.005 20 0 "[ . 1 . 2 . 3 . 4 ]" 1
266 2 26 GLU HG2 2 27 PHE H 4.000 . 5.800 4.882 3.538 5.585 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
267 2 26 GLU HG3 2 27 PHE H 0.000 . 5.300 4.876 3.571 5.365 0.065 34 0 "[ . 1 . 2 . 3 . 4 ]" 1
268 2 23 ASP H 2 23 ASP HB3 3.000 . 4.800 3.020 2.686 3.227 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
269 2 23 ASP H 2 23 ASP HB2 3.000 . 4.800 3.822 3.699 3.945 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
270 2 27 PHE H 2 27 PHE HB3 3.000 . 3.000 2.621 2.543 2.706 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
271 2 27 PHE H 2 27 PHE HB2 2.500 . 2.500 2.527 2.504 2.553 0.053 15 0 "[ . 1 . 2 . 3 . 4 ]" 1
272 2 24 PHE HA 2 27 PHE H 4.000 . 4.000 3.457 3.184 3.723 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
273 1 22 ILE H 1 22 ILE HB 3.000 . 3.000 2.708 2.580 2.897 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
274 1 22 ILE H 2 22 ILE HB 4.000 . 4.000 3.568 3.045 3.931 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
275 1 21 TYR HB2 1 22 ILE H 3.000 . 4.800 3.733 2.247 4.318 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
276 1 21 TYR HB3 1 22 ILE H 3.000 . 4.800 2.754 2.299 3.730 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
277 1 19 ASP HB3 1 20 GLY H 4.000 . 5.800 4.133 3.103 4.633 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
278 1 19 ASP HB2 1 20 GLY H 0.000 . 5.800 3.966 2.946 4.638 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
279 1 20 GLY H 1 20 GLY HA2 3.000 . 3.000 2.580 2.422 2.942 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
280 1 20 GLY H 1 20 GLY HA3 2.500 . 3.000 2.975 2.418 3.060 0.060 7 0 "[ . 1 . 2 . 3 . 4 ]" 1
281 1 18 ALA HA 1 20 GLY H 3.000 . 3.000 2.743 2.435 3.005 0.005 10 0 "[ . 1 . 2 . 3 . 4 ]" 1
282 2 20 GLY H 2 20 GLY HA2 3.000 . 3.000 2.782 2.432 3.055 0.055 7 0 "[ . 1 . 2 . 3 . 4 ]" 1
283 2 20 GLY H 2 20 GLY HA3 2.500 . 3.000 2.791 2.404 3.060 0.060 20 0 "[ . 1 . 2 . 3 . 4 ]" 1
284 1 11 PHE QD 1 12 ARG HA 4.000 . 6.000 4.086 3.048 4.919 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
285 1 8 ALA HA 2 24 PHE QD 5.000 . 7.400 4.188 3.072 4.989 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
286 2 27 PHE HA 2 27 PHE QD 2.500 . 4.900 2.700 2.071 3.317 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
287 2 29 LYS H 2 29 LYS HA 3.000 . 3.000 2.978 2.867 3.027 0.027 25 0 "[ . 1 . 2 . 3 . 4 ]" 1
288 1 8 ALA HA 2 24 PHE QE 2.500 . 4.900 2.644 1.497 3.515 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
289 1 14 PHE HA 1 14 PHE QR 4.000 . 6.400 2.203 1.818 3.078 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
290 1 11 PHE HZ 1 21 TYR HA 3.000 . 3.000 2.699 2.264 2.962 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
291 1 21 TYR QD 2 23 ASP HA 3.000 . 5.400 3.551 2.112 4.664 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
292 1 21 TYR HA 1 21 TYR QD 3.000 . 5.400 2.686 1.996 3.823 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
293 1 10 ALA HA 1 13 ILE H 3.000 . 4.000 3.475 3.067 3.917 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
294 1 12 ARG HA 1 13 ILE H 3.000 . 4.000 3.547 3.420 3.628 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
295 1 12 ARG H 1 12 ARG HA 3.000 . 3.000 2.907 2.753 2.991 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
296 1 7 LEU HA 2 27 PHE QE 3.000 . 5.000 3.445 2.567 4.892 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
297 1 17 ASN H 1 18 ALA HA 5.000 . 5.000 4.636 3.826 5.034 0.034 4 0 "[ . 1 . 2 . 3 . 4 ]" 1
298 1 18 ALA HA 1 21 TYR H 5.000 . 5.000 4.560 3.139 4.997 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
299 1 29 GLU HA 1 30 ILE H 4.000 . 4.000 3.510 3.410 3.573 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
300 2 32 GLU H 2 32 GLU HA 3.000 . 3.000 2.962 2.765 3.046 0.046 23 0 "[ . 1 . 2 . 3 . 4 ]" 1
301 1 16 LYS H 1 16 LYS HA 3.000 . 3.000 3.019 2.964 3.048 0.048 6 0 "[ . 1 . 2 . 3 . 4 ]" 1
302 2 33 GLY HA2 2 34 VAL H 4.000 . 5.800 2.853 2.145 3.617 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
303 2 33 GLY HA3 2 34 VAL H 4.000 . 5.800 2.959 2.096 3.609 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
304 2 4 GLU HA 2 7 ILE H 4.000 . 4.000 3.485 2.833 4.002 0.002 2 0 "[ . 1 . 2 . 3 . 4 ]" 1
305 1 15 ASP HA 1 16 LYS H 2.500 . 2.500 2.262 2.119 2.502 0.002 10 0 "[ . 1 . 2 . 3 . 4 ]" 1
306 2 18 ASN H 2 18 ASN HA 2.500 . 2.500 2.405 2.394 2.422 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
307 2 9 ASP HA 2 10 LEU H 4.000 . 4.000 3.552 3.514 3.579 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
308 1 15 ASP H 1 15 ASP HA 3.000 . 3.000 2.900 2.850 2.943 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
309 2 11 MET HA 2 14 SER H 4.000 . 4.000 3.547 2.992 4.001 0.001 38 0 "[ . 1 . 2 . 3 . 4 ]" 1
310 2 10 LEU H 2 10 LEU HA 3.000 . 3.000 2.971 2.962 2.984 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
311 2 20 GLY HA2 2 21 ARG H 4.000 . 5.800 3.396 2.638 3.613 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
312 2 20 GLY HA3 2 21 ARG H 0.000 . 5.800 3.133 2.584 3.619 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
313 2 25 ASP H 2 25 ASP HA 3.000 . 3.000 2.940 2.900 2.971 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
314 1 18 ALA H 1 18 ALA HA 2.500 . 2.500 2.423 2.401 2.449 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
315 2 33 GLY H 2 33 GLY HA2 3.000 . 4.800 2.747 2.422 3.081 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
316 2 33 GLY H 2 33 GLY HA3 3.000 . 4.800 2.684 2.411 3.073 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
317 1 12 ARG HA 1 15 ASP H 4.000 . 4.000 3.657 3.122 3.966 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
318 1 25 GLU H 1 25 GLU HA 2.500 . 3.000 3.000 2.996 3.002 0.002 42 0 "[ . 1 . 2 . 3 . 4 ]" 1
319 2 16 LYS H 2 16 LYS HA 3.000 . 3.000 3.019 2.952 3.065 0.065 26 0 "[ . 1 . 2 . 3 . 4 ]" 1
320 1 34 THR H 1 34 THR HA 3.000 . 3.000 2.981 2.740 3.059 0.059 24 0 "[ . 1 . 2 . 3 . 4 ]" 1
321 1 9 ASN H 1 9 ASN HA 3.000 . 3.000 2.801 2.699 2.977 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
322 2 15 ASP HA 2 16 LYS H 5.000 . 5.000 2.397 2.095 3.461 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
323 1 10 ALA H 1 10 ALA HA 3.000 . 3.000 2.954 2.885 3.001 0.001 13 0 "[ . 1 . 2 . 3 . 4 ]" 1
324 1 6 GLU H 1 6 GLU HA 3.000 . 3.000 2.953 2.843 3.009 0.009 26 0 "[ . 1 . 2 . 3 . 4 ]" 1
325 2 30 MET H 2 30 MET HA 3.000 . 3.000 2.840 2.715 2.972 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
326 2 34 VAL HA 2 35 GLN H 3.000 . 3.000 2.334 2.110 2.971 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
327 2 12 LYS H 2 12 LYS HA 3.000 . 3.000 3.013 2.985 3.065 0.065 7 0 "[ . 1 . 2 . 3 . 4 ]" 1
328 2 35 GLN H 2 35 GLN HA 3.000 . 3.000 2.944 2.699 3.043 0.043 36 0 "[ . 1 . 2 . 3 . 4 ]" 1
329 2 14 SER HA 2 15 ASP H 4.000 . 4.000 3.519 3.226 3.620 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
330 1 2 LYS H 1 2 LYS HA 3.000 . 3.000 2.870 2.381 3.039 0.039 36 0 "[ . 1 . 2 . 3 . 4 ]" 1
331 2 9 ASP H 2 9 ASP HA 3.000 . 3.000 3.002 2.965 3.012 0.012 28 0 "[ . 1 . 2 . 3 . 4 ]" 1
332 2 27 PHE HA 2 28 LEU H 5.000 . 5.000 3.575 3.546 3.585 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
333 2 5 GLU H 2 5 GLU HA 3.000 . 3.000 2.857 2.823 2.878 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
334 1 18 ALA HA 1 19 ASP H 3.000 . 3.000 2.835 2.547 3.000 . 28 0 "[ . 1 . 2 . 3 . 4 ]" 1
335 1 4 GLU HA 1 7 LEU H 5.000 . 5.000 4.028 3.373 4.619 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
336 1 6 GLU HA 1 7 LEU H 4.000 . 4.000 3.536 3.436 3.592 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
337 1 8 ALA HA 1 11 PHE H 5.000 . 5.000 3.567 3.062 4.048 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
338 1 5 GLU H 1 5 GLU HA 3.000 . 3.000 2.815 2.583 2.969 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
339 1 24 ILE H 1 24 ILE HA 3.000 . 3.000 3.009 2.970 3.016 0.016 26 0 "[ . 1 . 2 . 3 . 4 ]" 1
340 1 2 LYS HA 1 3 SER H 3.000 . 3.000 2.340 2.100 2.987 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
341 2 18 ASN HA 2 19 ASP H 3.000 . 3.000 2.614 2.135 3.001 0.001 30 0 "[ . 1 . 2 . 3 . 4 ]" 1
342 1 23 ASP HA 1 24 ILE H 3.000 . 3.000 2.481 2.345 2.613 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
343 1 23 ASP H 1 26 GLU HB2 3.000 . 4.800 2.946 2.091 4.529 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
344 1 23 ASP H 1 26 GLU HB3 0.000 . 4.800 3.687 2.859 4.166 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
345 1 22 ILE HA 1 23 ASP H 2.500 . 2.500 2.218 2.109 2.384 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
346 2 25 ASP HA 2 26 GLU H 4.000 . 4.000 3.486 3.457 3.523 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
347 2 26 GLU H 2 26 GLU HA 3.000 . 3.000 2.861 2.816 2.931 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
348 2 4 GLU H 2 4 GLU HA 3.000 . 3.000 2.987 2.926 3.000 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
349 2 4 GLU H 2 4 GLU HG3 3.000 . 4.800 3.844 2.064 4.793 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
350 2 4 GLU H 2 4 GLU HG2 0.000 . 4.800 3.698 1.980 4.805 0.005 41 0 "[ . 1 . 2 . 3 . 4 ]" 1
351 1 27 LEU H 1 27 LEU HA 3.000 . 3.000 2.903 2.851 2.952 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
352 1 26 GLU HA 1 27 LEU H 5.000 . 5.000 3.493 3.426 3.551 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
353 1 3 SER QB 1 4 GLU H 4.000 . 5.000 3.462 1.626 4.103 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
354 2 2 VAL HA 2 3 THR H 2.500 . 2.500 2.263 2.107 2.501 0.001 8 0 "[ . 1 . 2 . 3 . 4 ]" 1
355 1 3 SER HA 1 4 GLU H 4.000 . 4.000 2.572 2.104 3.643 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
356 1 8 ALA H 1 8 ALA HA 3.000 . 3.000 2.884 2.725 2.972 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
357 1 26 GLU H 1 26 GLU HA 3.000 . 3.000 3.001 2.995 3.006 0.006 26 0 "[ . 1 . 2 . 3 . 4 ]" 1
358 2 23 ASP HA 2 24 PHE H 3.000 . 3.000 2.705 2.481 2.986 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
359 2 22 ILE HA 2 23 ASP H 2.500 . 2.500 2.201 2.111 2.305 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
360 2 22 ILE H 2 22 ILE HA 3.000 . 3.000 3.040 3.035 3.049 0.049 20 0 "[ . 1 . 2 . 3 . 4 ]" 1
361 2 27 PHE H 2 27 PHE HA 3.000 . 3.000 3.005 2.980 3.021 0.021 9 0 "[ . 1 . 2 . 3 . 4 ]" 1
362 2 18 ASN HA 2 20 GLY H 4.000 . 4.000 3.636 2.591 4.062 0.062 36 0 "[ . 1 . 2 . 3 . 4 ]" 1
363 1 21 TYR HA 1 22 ILE H 2.500 . 2.500 2.324 2.238 2.511 0.011 29 0 "[ . 1 . 2 . 3 . 4 ]" 1
364 1 11 PHE QD 2 24 PHE QD 5.000 . 9.800 3.066 1.093 4.050 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
365 1 11 PHE QD 2 27 PHE QD 3.000 . 7.800 2.547 1.407 3.777 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
366 2 24 PHE QD 2 27 PHE QD 4.000 . 8.000 3.465 2.385 5.182 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
367 1 13 ILE H 1 14 PHE H 2.500 . 2.500 2.504 2.502 2.507 0.007 15 0 "[ . 1 . 2 . 3 . 4 ]" 1
368 1 30 ILE H 1 31 LEU H 3.000 . 3.000 2.802 2.643 2.997 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
369 1 21 TYR H 1 21 TYR QD 4.000 . 6.000 2.997 1.757 4.098 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
370 1 16 LYS H 1 17 ASN H 3.000 . 3.000 2.374 1.900 2.952 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
371 2 13 ASP H 2 14 SER H 4.000 . 4.000 2.591 2.432 3.080 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
372 2 17 ASN H 2 18 ASN H 3.000 . 3.000 2.986 2.843 3.046 0.046 19 0 "[ . 1 . 2 . 3 . 4 ]" 1
373 2 14 SER H 2 15 ASP H 3.000 . 3.000 2.543 2.168 3.001 0.001 25 0 "[ . 1 . 2 . 3 . 4 ]" 1
374 2 7 ILE H 2 8 GLU H 3.000 . 3.000 2.595 2.431 3.001 0.001 17 0 "[ . 1 . 2 . 3 . 4 ]" 1
375 2 27 PHE QD 2 28 LEU H 5.000 . 7.400 3.553 2.948 4.297 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
376 2 28 LEU H 2 29 LYS H 4.000 . 4.000 2.989 2.837 3.135 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
377 2 29 LYS H 2 30 MET H 3.000 . 3.000 2.753 2.464 2.998 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
378 1 11 PHE H 1 12 ARG H 4.000 . 4.000 2.931 2.800 3.223 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
379 2 9 ASP H 2 10 LEU H 3.000 . 3.000 2.563 2.472 2.769 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
380 2 5 GLU H 2 6 ASP H 3.000 . 3.000 2.966 2.870 3.001 0.001 15 0 "[ . 1 . 2 . 3 . 4 ]" 1
381 2 10 LEU H 2 11 MET H 3.000 . 3.000 2.949 2.846 3.002 0.002 11 0 "[ . 1 . 2 . 3 . 4 ]" 1
382 2 18 ASN H 2 19 ASP H 4.000 . 4.000 3.114 2.523 4.063 0.063 7 0 "[ . 1 . 2 . 3 . 4 ]" 1
383 1 18 ALA H 1 19 ASP H 3.000 . 3.000 2.774 2.536 3.000 0.000 2 0 "[ . 1 . 2 . 3 . 4 ]" 1
384 2 24 PHE H 2 25 ASP H 3.000 . 3.000 2.747 2.582 2.922 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
385 2 25 ASP H 2 26 GLU H 3.000 . 3.000 3.088 3.072 3.117 0.117 18 0 "[ . 1 . 2 . 3 . 4 ]" 1
386 1 25 GLU H 1 26 GLU H 2.500 . 2.500 2.505 2.500 2.512 0.012 39 0 "[ . 1 . 2 . 3 . 4 ]" 1
387 1 24 ILE H 1 25 GLU H 3.000 . 3.000 2.461 2.412 2.629 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
388 2 24 PHE H 2 24 PHE QD 4.000 . 6.000 4.304 4.244 4.326 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
389 1 11 PHE HZ 1 22 ILE H 4.000 . 4.000 3.285 2.798 3.809 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
390 2 20 GLY H 2 21 ARG H 3.000 . 3.000 2.625 1.899 3.021 0.021 7 0 "[ . 1 . 2 . 3 . 4 ]" 1
391 1 20 GLY H 1 21 TYR H 3.000 . 3.000 2.527 1.922 2.963 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
392 1 6 GLU H 1 7 LEU H 3.000 . 3.000 2.741 2.447 2.997 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
393 1 31 LEU H 1 32 ARG H 3.000 . 3.000 2.729 2.517 3.002 0.002 23 0 "[ . 1 . 2 . 3 . 4 ]" 1
394 1 10 ALA H 1 11 PHE H 3.000 . 3.000 2.811 2.671 2.976 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
395 1 5 GLU H 1 6 GLU H 4.000 . 4.000 3.169 2.796 3.663 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
396 2 11 MET H 2 12 LYS H 3.000 . 3.000 2.849 2.646 3.000 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
397 2 8 GLU H 2 9 ASP H 2.500 . 2.500 2.505 2.501 2.513 0.013 3 0 "[ . 1 . 2 . 3 . 4 ]" 1
398 1 7 LEU H 1 8 ALA H 4.000 . 4.000 2.651 2.394 3.027 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
399 2 4 GLU H 2 5 GLU H 4.000 . 4.000 2.669 2.560 2.947 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
400 1 27 LEU H 1 28 GLY H 4.000 . 4.000 3.162 2.902 3.452 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
401 1 26 GLU H 1 27 LEU H 3.000 . 3.000 2.526 2.500 2.563 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
402 2 27 PHE H 2 28 LEU H 3.000 . 3.000 2.723 2.611 2.818 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
403 2 26 GLU H 2 27 PHE H 3.000 . 3.000 3.051 2.966 3.092 0.092 22 0 "[ . 1 . 2 . 3 . 4 ]" 1
404 1 22 ILE H 2 22 ILE H 4.000 . 4.000 3.761 3.217 4.021 0.021 20 0 "[ . 1 . 2 . 3 . 4 ]" 1
405 1 5 GLU HA 1 8 ALA MB 5.000 . 6.600 2.551 1.766 3.687 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
406 1 7 LEU HA 1 10 ALA MB 5.000 . 6.600 2.088 1.598 2.798 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
407 1 9 ASN HA 1 12 ARG HB2 5.000 . 6.800 4.023 2.656 5.618 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
408 1 9 ASN HA 1 12 ARG HB3 5.000 . 6.800 4.003 2.682 5.337 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
409 2 9 ASP HA 2 12 LYS HB2 5.000 . 6.800 3.506 1.959 5.669 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
410 2 9 ASP HA 2 12 LYS HB3 5.000 . 6.800 3.973 1.981 5.589 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
411 1 22 ILE HA 1 26 GLU HB3 5.000 . 5.000 4.586 4.172 5.000 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
412 1 22 ILE HA 1 26 GLU HB2 5.000 . 5.000 4.187 3.533 5.023 0.023 26 0 "[ . 1 . 2 . 3 . 4 ]" 1
413 1 6 GLU HA 1 9 ASN HB2 5.000 . 5.000 2.608 1.932 3.189 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
414 1 6 GLU HA 1 9 ASN HB3 5.000 . 5.000 4.207 3.579 4.888 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
415 2 8 GLU HA 2 11 MET HB3 5.000 . 5.000 3.252 2.268 4.858 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
416 2 4 GLU HA 2 7 ILE HB 5.000 . 5.000 2.826 2.114 3.705 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
417 1 28 GLY HA2 1 31 LEU HB2 5.000 . 6.800 4.096 3.062 5.079 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
418 1 28 GLY HA3 1 31 LEU HB2 5.000 . 6.800 5.724 4.574 6.803 0.003 34 0 "[ . 1 . 2 . 3 . 4 ]" 1
419 1 28 GLY HA2 1 31 LEU HB3 5.000 . 6.800 4.759 4.210 5.211 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
420 1 28 GLY HA3 1 31 LEU HB3 5.000 . 6.800 6.430 5.892 6.805 0.005 24 0 "[ . 1 . 2 . 3 . 4 ]" 1
421 1 29 GLU HA 1 32 ARG HB2 5.000 . 5.000 3.836 2.019 4.994 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
422 1 29 GLU HA 1 32 ARG HB3 5.000 . 5.000 3.208 1.914 4.903 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
423 2 7 ILE HA 2 10 LEU HB2 5.000 . 5.000 3.666 2.959 4.309 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
424 2 7 ILE HA 2 10 LEU HB3 5.000 . 5.000 2.744 2.319 3.120 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
425 1 12 ARG HA 1 15 ASP HB2 5.000 . 5.000 3.912 2.927 4.831 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
426 2 24 PHE HA 2 27 PHE HB2 5.000 . 5.000 2.675 2.322 3.246 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
427 2 24 PHE HA 2 27 PHE HB3 5.000 . 5.000 2.686 2.245 3.133 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
428 2 8 GLU HA 2 11 MET HB2 5.000 . 5.000 4.012 2.899 4.963 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
429 1 23 ASP HA 2 22 ILE MD 5.000 . 6.600 5.220 4.773 5.371 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
430 1 22 ILE MG 1 23 ASP HA 5.000 . 6.600 3.935 3.334 4.305 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
431 1 24 ILE HB 2 21 ARG HA 5.000 . 5.000 4.925 4.380 5.017 0.017 39 0 "[ . 1 . 2 . 3 . 4 ]" 1
432 2 15 ASP HA 2 22 ILE MD 5.000 . 6.600 5.151 4.555 5.381 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
433 1 28 GLY HA2 2 7 ILE MD 5.000 . 6.600 3.494 2.023 4.771 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
434 1 28 GLY HA2 2 7 ILE MG 5.000 . 6.600 3.835 2.225 4.897 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
435 1 28 GLY HA3 2 7 ILE MD 5.000 . 6.600 3.999 1.941 5.315 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
436 1 28 GLY HA3 2 7 ILE MG 5.000 . 6.600 3.792 2.453 4.680 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
437 1 7 LEU MD1 2 28 LEU HA 5.000 . 9.700 3.825 2.396 6.167 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
438 1 7 LEU MD2 2 28 LEU HA 5.000 . 9.700 4.913 2.427 6.731 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
439 1 22 ILE MD 2 27 PHE HB3 5.000 . 6.600 5.004 4.268 5.393 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
440 2 22 ILE MG 2 27 PHE HB3 5.000 . 6.600 4.448 4.155 4.941 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
441 2 22 ILE MG 2 27 PHE HB2 5.000 . 6.600 3.212 2.879 3.735 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
442 1 7 LEU HA 1 10 ALA H 5.000 . 5.000 3.421 3.046 4.123 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
443 1 11 PHE HA 1 14 PHE H 5.000 . 5.000 3.780 3.406 4.173 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
444 1 4 GLU HA 1 7 LEU HB2 5.000 . 5.000 3.328 2.698 3.593 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
445 1 4 GLU HA 1 7 LEU HB3 5.000 . 5.000 4.893 4.272 5.011 0.011 19 0 "[ . 1 . 2 . 3 . 4 ]" 1
446 1 8 ALA HA 1 11 PHE HB3 5.000 . 5.000 2.757 2.175 3.171 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
447 1 8 ALA HA 1 11 PHE HB2 5.000 . 5.000 3.771 2.982 4.374 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
448 1 11 PHE HA 1 14 PHE HB3 5.000 . 5.000 4.619 4.314 4.954 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
449 1 11 PHE HA 1 14 PHE HB2 5.000 . 5.000 3.074 2.719 3.408 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
450 1 10 ALA HA 1 13 ILE HB 5.000 . 5.000 2.493 2.000 3.016 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
451 1 24 ILE HA 1 27 LEU H 4.000 . 4.000 3.577 3.019 3.921 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
452 1 25 GLU HA 1 28 GLY H 5.000 . 5.000 4.712 4.240 4.994 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
453 1 26 GLU HA 1 29 GLU H 5.000 . 5.000 4.021 3.306 5.002 0.002 21 0 "[ . 1 . 2 . 3 . 4 ]" 1
454 1 31 LEU H 1 31 LEU HA 3.000 . 3.000 2.968 2.848 3.005 0.005 22 0 "[ . 1 . 2 . 3 . 4 ]" 1
455 1 24 ILE HA 1 27 LEU HB2 5.000 . 6.800 3.192 2.155 4.043 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
456 1 24 ILE HA 1 27 LEU HB3 5.000 . 6.800 3.048 2.489 3.750 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
457 2 5 GLU HA 2 8 GLU H 4.000 . 4.000 3.329 3.034 3.690 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
458 2 9 ASP HA 2 12 LYS H 5.000 . 5.000 3.729 3.176 4.465 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
459 2 10 LEU HA 2 13 ASP H 5.000 . 5.000 3.601 2.805 4.289 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
460 2 12 LYS HA 2 15 ASP H 4.000 . 4.000 3.660 2.875 4.004 0.004 30 0 "[ . 1 . 2 . 3 . 4 ]" 1
461 2 5 GLU HA 2 8 GLU HB2 5.000 . 6.800 3.232 1.908 4.842 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
462 2 5 GLU HA 2 8 GLU HB3 5.000 . 6.800 3.360 2.323 5.255 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
463 2 10 LEU HA 2 13 ASP HB3 5.000 . 5.000 2.836 2.131 3.323 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
464 2 10 LEU HA 2 13 ASP HB2 5.000 . 5.000 3.691 2.839 4.464 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
465 2 11 MET HA 2 14 SER HB2 5.000 . 6.800 3.817 2.184 5.473 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
466 2 11 MET HA 2 14 SER HB3 5.000 . 6.800 4.094 2.309 5.759 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
467 2 12 LYS HA 2 15 ASP HB2 4.000 . 4.000 3.553 1.903 4.013 0.013 36 0 "[ . 1 . 2 . 3 . 4 ]" 1
468 2 25 ASP HA 2 28 LEU H 5.000 . 5.000 3.900 3.733 4.126 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
469 2 27 PHE HA 2 31 MET H 5.000 . 5.000 4.055 3.569 4.418 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
470 2 23 ASP HA 2 26 GLU HB2 5.000 . 6.800 4.953 4.632 6.700 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
471 2 23 ASP HA 2 26 GLU HB3 5.000 . 6.800 6.540 6.054 6.906 0.106 9 0 "[ . 1 . 2 . 3 . 4 ]" 1
472 2 25 ASP HA 2 28 LEU HB3 5.000 . 5.000 5.028 4.920 5.065 0.065 5 0 "[ . 1 . 2 . 3 . 4 ]" 1
473 1 21 TYR HA 2 23 ASP HA 5.000 . 5.000 2.821 2.142 3.188 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
474 1 23 ASP HA 2 21 ARG HA 5.000 . 5.000 3.014 2.418 3.605 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
475 2 14 SER HB2 2 22 ILE MD 5.000 . 8.400 5.099 3.157 6.552 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
476 2 14 SER HB3 2 22 ILE MD 5.000 . 8.400 4.904 3.442 6.441 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
477 2 7 ILE MG 2 8 GLU HA 5.000 . 6.600 3.314 2.858 3.650 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
478 1 11 PHE QE 1 21 TYR HA 5.000 . 7.400 3.611 2.765 3.992 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
479 1 11 PHE QE 2 23 ASP HA 5.000 . 7.400 3.618 3.138 4.279 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
480 1 11 PHE QE 2 24 PHE QD 5.000 . 7.400 3.659 2.811 4.358 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
481 1 11 PHE QD 2 24 PHE QE 5.000 . 7.400 3.950 2.886 4.804 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
482 1 11 PHE QD 2 27 PHE QE 5.000 . 7.400 3.224 2.206 4.176 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
483 1 11 PHE QD 2 24 PHE HA 5.000 . 7.400 3.378 2.268 3.998 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
484 1 8 ALA HA 1 11 PHE QD 5.000 . 7.400 4.133 3.365 5.044 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
485 1 11 PHE HZ 2 23 ASP HA 5.000 . 5.000 2.486 2.022 3.211 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
486 1 11 PHE HA 2 24 PHE QD 5.000 . 7.400 5.865 4.904 6.544 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
487 2 24 PHE QD 2 27 PHE HB3 5.000 . 7.000 2.983 2.185 4.544 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
488 2 24 PHE QD 2 27 PHE HB2 5.000 . 7.000 3.977 2.944 5.105 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
489 1 11 PHE H 2 24 PHE QD 5.000 . 7.400 5.771 5.056 6.372 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
490 1 11 PHE H 2 24 PHE QE 5.000 . 7.400 4.666 3.594 5.436 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
491 1 11 PHE QE 2 24 PHE H 5.000 . 7.400 3.553 2.293 4.168 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
492 1 11 PHE QE 1 22 ILE H 5.000 . 7.400 3.705 2.725 4.207 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
493 1 21 TYR QD 1 22 ILE H 5.000 . 7.400 4.098 2.975 4.528 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
494 1 11 PHE QE 1 20 GLY H 5.000 . 7.400 5.534 3.516 6.552 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
495 1 15 ASP HA 1 22 ILE MG 5.000 . 6.800 4.744 3.973 5.358 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
496 1 27 LEU MD1 2 11 MET HA 5.000 . 9.200 5.149 3.392 7.110 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
497 1 27 LEU MD2 2 11 MET HA 5.000 . 9.200 5.374 3.555 7.110 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
498 1 24 ILE MG 1 25 GLU HA 5.000 . 6.800 3.332 3.059 3.830 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
499 1 8 ALA HA 2 28 LEU MD1 5.000 . 9.200 6.842 6.166 7.538 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
500 1 8 ALA HA 2 28 LEU MD2 5.000 . 9.200 6.598 5.584 7.569 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
501 2 22 ILE MG 2 26 GLU HG2 5.000 . 6.800 3.776 2.738 4.376 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
502 1 21 TYR HB2 2 21 ARG HB3 5.000 . 6.800 5.151 3.302 6.450 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
503 1 21 TYR HB3 2 21 ARG HB3 5.000 . 6.800 4.373 2.808 6.826 0.026 20 0 "[ . 1 . 2 . 3 . 4 ]" 1
504 1 21 TYR HB2 2 21 ARG HB2 5.000 . 6.800 5.201 3.736 6.614 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
505 1 21 TYR HB3 2 21 ARG HB2 5.000 . 6.800 4.393 2.975 6.678 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
506 2 25 ASP HB2 2 26 GLU HG3 5.000 . 6.800 4.963 2.909 6.870 0.070 15 0 "[ . 1 . 2 . 3 . 4 ]" 1
507 2 25 ASP HB3 2 26 GLU HG3 5.000 . 6.800 4.871 3.339 6.616 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
508 2 25 ASP HB2 2 26 GLU HG2 5.000 . 6.800 4.600 2.742 6.800 . 34 0 "[ . 1 . 2 . 3 . 4 ]" 1
509 2 25 ASP HB3 2 26 GLU HG2 5.000 . 6.800 4.545 3.116 6.639 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
510 2 22 ILE HA 2 26 GLU HG2 0.000 . 6.800 4.480 2.695 5.437 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
511 2 22 ILE HA 2 26 GLU HG3 5.000 . 6.800 3.565 2.152 5.030 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
512 1 7 LEU HA 1 7 LEU MD1 3.000 . 7.800 3.318 2.741 3.981 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
513 1 7 LEU HA 1 7 LEU MD2 3.000 . 7.800 2.471 1.894 3.692 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
514 2 2 VAL HA 2 2 VAL QG 3.000 . 7.800 2.307 2.169 2.675 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
515 1 31 LEU HA 1 31 LEU MD1 3.000 . 7.800 3.818 3.489 4.129 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
516 1 31 LEU HA 1 31 LEU MD2 3.000 . 7.800 3.346 2.495 4.248 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
517 2 11 MET HA 2 11 MET ME 5.000 . 6.600 4.163 3.286 4.659 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
518 1 31 LEU HA 1 31 LEU HB3 3.000 . 3.000 2.391 2.332 2.552 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
519 1 31 LEU HA 1 31 LEU HB2 3.000 . 3.000 2.762 2.346 3.016 0.016 24 0 "[ . 1 . 2 . 3 . 4 ]" 1
520 1 6 GLU HA 1 6 GLU HB3 3.000 . 3.000 2.741 2.212 3.029 0.029 23 0 "[ . 1 . 2 . 3 . 4 ]" 1
521 1 5 GLU HA 1 5 GLU HB3 3.000 . 3.000 2.972 2.197 3.050 0.050 3 0 "[ . 1 . 2 . 3 . 4 ]" 1
522 1 5 GLU HA 1 5 GLU HB2 3.000 . 3.000 2.405 2.231 2.883 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
523 2 5 GLU HA 2 5 GLU HB2 3.000 . 5.000 2.724 2.214 3.052 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
524 2 5 GLU HA 2 5 GLU HB3 3.000 . 5.000 2.694 2.256 3.048 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
525 1 26 GLU HA 1 26 GLU HB3 3.000 . 5.000 2.593 2.383 2.647 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
526 1 6 GLU HA 1 6 GLU HB2 3.000 . 3.000 2.596 2.194 3.036 0.036 7 0 "[ . 1 . 2 . 3 . 4 ]" 1
527 1 5 GLU HA 1 5 GLU HG2 3.000 . 4.800 3.483 2.318 4.155 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
528 1 4 GLU HA 1 4 GLU HB2 3.000 . 4.800 2.678 2.177 3.037 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
529 2 16 LYS HA 2 16 LYS QE 5.000 . 6.600 4.627 2.080 5.834 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
530 1 10 ALA HA 1 13 ILE MD 5.000 . 6.600 4.876 4.345 5.490 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
531 1 7 LEU MD1 1 10 ALA HA 5.000 . 9.200 7.237 6.276 7.717 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
532 1 7 LEU MD2 1 10 ALA HA 5.000 . 9.200 6.181 5.168 7.583 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
533 2 18 ASN HA 2 18 ASN HB2 3.000 . 5.000 3.085 3.079 3.104 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
534 2 12 LYS HA 2 12 LYS QE 5.000 . 6.000 4.429 2.516 5.327 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
535 2 34 VAL HA 2 34 VAL QG 3.000 . 7.800 2.247 2.191 2.488 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
536 1 24 ILE HA 2 7 ILE MG 5.000 . 6.600 4.634 3.537 5.428 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
537 1 27 LEU HA 1 27 LEU HB3 3.000 . 4.800 3.070 3.068 3.073 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
538 1 24 ILE HA 1 24 ILE HB 3.000 . 3.000 2.672 2.597 2.765 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
539 1 12 ARG HA 1 12 ARG HB2 3.000 . 5.000 2.681 2.259 3.076 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
540 2 28 LEU HA 2 28 LEU MD1 3.000 . 7.800 3.960 3.930 3.981 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
541 2 28 LEU HA 2 28 LEU MD2 3.000 . 7.800 2.388 2.150 2.604 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
542 2 7 ILE HA 2 7 ILE MD 3.000 . 4.600 3.032 2.006 3.937 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
543 2 7 ILE HA 2 7 ILE MG 3.000 . 4.600 2.689 2.594 2.771 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
544 2 28 LEU HA 2 28 LEU HB2 3.000 . 5.000 3.060 3.057 3.065 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
545 1 11 PHE HA 1 11 PHE HB3 3.000 . 3.000 3.065 3.062 3.067 0.067 11 0 "[ . 1 . 2 . 3 . 4 ]" 1
546 1 7 LEU HB2 1 7 LEU MD1 3.000 . 7.200 2.704 2.191 3.134 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
547 1 7 LEU HB3 1 7 LEU MD2 3.000 . 7.200 2.799 2.242 3.226 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
548 2 7 ILE HB 2 7 ILE MD 3.000 . 4.600 2.631 2.316 3.346 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
549 1 22 ILE MG 2 22 ILE MG 3.000 . 6.200 3.839 3.309 4.177 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
550 1 23 ASP HA 1 24 ILE HB 5.000 . 5.000 4.481 4.304 4.613 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
551 1 22 ILE MG 1 26 GLU HB2 5.000 . 6.600 3.026 1.875 4.450 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
552 1 22 ILE MG 1 26 GLU HB3 5.000 . 6.600 3.261 2.278 4.400 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
553 2 7 ILE MG 2 11 MET HG2 5.000 . 6.600 5.063 3.277 5.451 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
554 2 16 LYS HA 2 16 LYS HD2 5.000 . 6.800 3.598 1.902 5.348 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
555 2 16 LYS HA 2 16 LYS HD3 5.000 . 6.800 4.078 2.285 5.609 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
556 2 12 LYS HA 2 12 LYS HD2 5.000 . 6.800 3.759 1.970 5.286 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
557 2 12 LYS HA 2 12 LYS HD3 5.000 . 6.800 3.934 1.954 5.689 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
558 1 12 ARG HB3 1 12 ARG QD 3.000 . 5.000 2.840 2.139 3.575 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
559 2 22 ILE HB 2 30 MET ME 5.000 . 6.600 4.215 3.084 5.270 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
560 2 22 ILE MG 2 26 GLU HG3 5.000 . 6.600 3.270 1.825 4.435 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
561 1 15 ASP HA 1 22 ILE MD 5.000 . 6.600 4.693 3.376 5.386 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
562 1 28 GLY HA2 2 7 ILE HG12 5.000 . 8.600 3.629 1.937 5.846 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
563 1 28 GLY HA3 2 7 ILE HG12 5.000 . 8.600 4.162 2.039 6.355 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
564 1 28 GLY HA2 2 7 ILE HG13 5.000 . 8.600 4.150 2.282 6.778 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
565 1 28 GLY HA3 2 7 ILE HG13 5.000 . 8.600 4.871 2.500 7.644 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
566 1 28 GLY HA2 2 7 ILE HB 5.000 . 6.800 5.551 4.092 6.752 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
567 1 28 GLY HA3 2 7 ILE HB 5.000 . 6.800 5.530 4.201 6.801 0.001 32 0 "[ . 1 . 2 . 3 . 4 ]" 1
568 1 31 LEU MD2 2 7 ILE HA 5.000 . 9.200 5.539 3.342 7.351 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
569 1 31 LEU MD1 2 7 ILE HA 5.000 . 9.200 4.968 3.201 7.062 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
570 1 27 LEU MD2 2 7 ILE HA 5.000 . 9.200 4.579 2.929 6.265 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
571 1 27 LEU MD1 2 7 ILE HA 5.000 . 9.200 4.684 2.877 7.416 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
572 1 22 ILE HB 2 22 ILE MG 5.000 . 6.600 2.932 2.407 3.359 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
573 2 22 ILE MD 2 30 MET ME 5.000 . 6.600 2.568 1.141 4.174 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 50
_Distance_constraint_stats_list.Viol_count 96
_Distance_constraint_stats_list.Viol_total 47.513
_Distance_constraint_stats_list.Viol_max 0.042
_Distance_constraint_stats_list.Viol_rms 0.0039
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0005
_Distance_constraint_stats_list.Viol_average_violations_only 0.0118
_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 4 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 ]"
1 5 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 ]"
1 6 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 ]"
1 7 LEU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 ]"
1 8 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 ]"
1 9 ASN 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 ]"
1 10 ALA 0.003 0.001 21 0 "[ . 1 . 2 . 3 . 4 ]"
1 11 PHE 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 ]"
1 12 ARG 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 ]"
1 13 ILE 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 ]"
1 14 PHE 0.003 0.001 21 0 "[ . 1 . 2 . 3 . 4 ]"
1 22 ILE 0.002 0.002 20 0 "[ . 1 . 2 . 3 . 4 ]"
1 26 GLU 0.001 0.001 8 0 "[ . 1 . 2 . 3 . 4 ]"
1 27 LEU 0.007 0.004 40 0 "[ . 1 . 2 . 3 . 4 ]"
1 28 GLY 0.002 0.002 12 0 "[ . 1 . 2 . 3 . 4 ]"
1 29 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 ]"
1 30 ILE 0.001 0.001 8 0 "[ . 1 . 2 . 3 . 4 ]"
1 31 LEU 0.007 0.004 40 0 "[ . 1 . 2 . 3 . 4 ]"
1 32 ARG 0.002 0.002 12 0 "[ . 1 . 2 . 3 . 4 ]"
1 33 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 ]"
2 4 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 ]"
2 5 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 ]"
2 6 ASP 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 ]"
2 7 ILE 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 ]"
2 8 GLU 0.008 0.001 33 0 "[ . 1 . 2 . 3 . 4 ]"
2 9 ASP 0.002 0.001 10 0 "[ . 1 . 2 . 3 . 4 ]"
2 10 LEU 0.012 0.002 34 0 "[ . 1 . 2 . 3 . 4 ]"
2 11 MET 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 ]"
2 12 LYS 0.008 0.001 33 0 "[ . 1 . 2 . 3 . 4 ]"
2 13 ASP 0.002 0.001 10 0 "[ . 1 . 2 . 3 . 4 ]"
2 14 SER 0.012 0.002 34 0 "[ . 1 . 2 . 3 . 4 ]"
2 22 ILE 0.002 0.002 20 0 "[ . 1 . 2 . 3 . 4 ]"
2 24 PHE 1.049 0.042 15 0 "[ . 1 . 2 . 3 . 4 ]"
2 26 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 ]"
2 27 PHE 1.049 0.042 15 0 "[ . 1 . 2 . 3 . 4 ]"
2 28 LEU 0.046 0.006 34 0 "[ . 1 . 2 . 3 . 4 ]"
2 29 LYS 0.001 0.001 24 0 "[ . 1 . 2 . 3 . 4 ]"
2 30 MET 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 ]"
2 31 MET 0.000 0.000 23 0 "[ . 1 . 2 . 3 . 4 ]"
2 32 GLU 0.046 0.006 34 0 "[ . 1 . 2 . 3 . 4 ]"
2 33 GLY 0.001 0.001 24 0 "[ . 1 . 2 . 3 . 4 ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 4 GLU O 1 8 ALA N . 2.700 3.300 2.992 2.720 3.243 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
2 1 4 GLU O 1 8 ALA H . . 2.500 2.075 1.811 2.448 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
3 1 5 GLU O 1 9 ASN N . 2.700 3.300 3.111 2.721 3.290 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
4 1 5 GLU O 1 9 ASN H . . 2.500 2.176 1.817 2.370 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
5 1 6 GLU O 1 10 ALA N . 2.700 3.300 3.030 2.739 3.292 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
6 1 6 GLU O 1 10 ALA H . . 2.500 2.120 1.823 2.485 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
7 1 7 LEU O 1 11 PHE N . 2.700 3.300 2.998 2.773 3.212 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
8 1 7 LEU O 1 11 PHE H . . 2.500 2.063 1.833 2.298 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
9 1 8 ALA O 1 12 ARG N . 2.700 3.300 3.148 2.902 3.283 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
10 1 8 ALA O 1 12 ARG H . . 2.500 2.148 1.923 2.303 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
11 1 9 ASN O 1 13 ILE N . 2.700 3.300 3.079 2.835 3.288 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
12 1 9 ASN O 1 13 ILE H . . 2.500 2.266 1.935 2.473 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
13 1 10 ALA O 1 14 PHE N . 2.700 3.300 3.191 2.974 3.301 0.001 21 0 "[ . 1 . 2 . 3 . 4 ]" 2
14 1 10 ALA O 1 14 PHE H . . 2.500 2.298 2.076 2.459 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
15 1 26 GLU O 1 30 ILE N . 2.700 3.300 3.138 2.806 3.301 0.001 8 0 "[ . 1 . 2 . 3 . 4 ]" 2
16 1 26 GLU O 1 30 ILE H . . 2.500 2.235 1.833 2.490 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
17 1 27 LEU O 1 31 LEU N . 2.700 3.300 3.205 2.914 3.304 0.004 40 0 "[ . 1 . 2 . 3 . 4 ]" 2
18 1 27 LEU O 1 31 LEU H . . 2.500 2.203 1.909 2.345 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
19 1 28 GLY O 1 32 ARG N . 2.700 3.300 3.083 2.739 3.302 0.002 12 0 "[ . 1 . 2 . 3 . 4 ]" 2
20 1 28 GLY O 1 32 ARG H . . 2.500 2.230 1.833 2.495 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
21 1 29 GLU O 1 33 ALA N . . 3.300 2.925 2.344 3.296 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
22 1 29 GLU O 1 33 ALA H . . 2.500 2.190 1.801 2.473 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
23 2 4 GLU O 2 8 GLU N . 2.700 3.300 3.055 2.772 3.295 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
24 2 4 GLU O 2 8 GLU H . . 2.500 2.201 1.869 2.464 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
25 2 5 GLU O 2 9 ASP N . 2.700 3.300 3.064 2.755 3.300 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
26 2 5 GLU O 2 9 ASP H . . 2.500 2.245 1.874 2.478 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
27 2 6 ASP O 2 10 LEU N . 2.700 3.300 3.137 2.884 3.292 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
28 2 6 ASP O 2 10 LEU H . . 2.500 2.179 1.905 2.405 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
29 2 7 ILE O 2 11 MET N . 2.700 3.300 3.086 2.803 3.291 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
30 2 7 ILE O 2 11 MET H . . 2.500 2.088 1.810 2.309 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
31 2 8 GLU O 2 12 LYS N . 2.700 3.300 3.163 2.721 3.301 0.001 33 0 "[ . 1 . 2 . 3 . 4 ]" 2
32 2 8 GLU O 2 12 LYS H . . 2.500 2.343 1.966 2.501 0.001 4 0 "[ . 1 . 2 . 3 . 4 ]" 2
33 2 9 ASP O 2 13 ASP N . 2.700 3.300 3.088 2.728 3.288 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
34 2 9 ASP O 2 13 ASP H . . 2.500 2.373 2.075 2.501 0.001 10 0 "[ . 1 . 2 . 3 . 4 ]" 2
35 2 10 LEU O 2 14 SER N . 2.700 3.300 3.138 2.702 3.302 0.002 34 0 "[ . 1 . 2 . 3 . 4 ]" 2
36 2 10 LEU O 2 14 SER H . . 2.500 2.199 1.835 2.476 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
37 2 24 PHE O 2 27 PHE N . 2.700 3.300 3.260 3.164 3.294 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
38 2 24 PHE O 2 27 PHE H . . 2.500 2.525 2.503 2.542 0.042 15 0 "[ . 1 . 2 . 3 . 4 ]" 2
39 2 26 GLU O 2 30 MET N . 2.700 3.300 2.882 2.726 3.067 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
40 2 26 GLU O 2 30 MET H . . 2.500 1.935 1.813 2.182 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
41 2 27 PHE O 2 31 MET N . 2.700 3.300 3.083 2.849 3.300 0.000 23 0 "[ . 1 . 2 . 3 . 4 ]" 2
42 2 27 PHE O 2 31 MET H . . 2.500 2.147 1.901 2.423 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
43 2 28 LEU O 2 32 GLU N . 2.700 3.300 3.224 2.935 3.306 0.006 34 0 "[ . 1 . 2 . 3 . 4 ]" 2
44 2 28 LEU O 2 32 GLU H . . 2.500 2.342 2.071 2.502 0.002 24 0 "[ . 1 . 2 . 3 . 4 ]" 2
45 2 29 LYS O 2 33 GLY N . 2.700 3.300 2.935 2.699 3.243 0.001 24 0 "[ . 1 . 2 . 3 . 4 ]" 2
46 2 29 LYS O 2 33 GLY H . . 2.500 2.155 1.911 2.466 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
47 1 22 ILE O 2 22 ILE N . 2.700 3.300 2.917 2.746 3.227 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
48 1 22 ILE O 2 22 ILE H . . 2.500 2.005 1.811 2.306 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
49 1 22 ILE N 2 22 ILE O . 2.700 3.300 2.956 2.725 3.259 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2
50 1 22 ILE H 2 22 ILE O . . 2.500 2.023 1.798 2.308 0.002 20 0 "[ . 1 . 2 . 3 . 4 ]" 2
stop_
save_
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