NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
470764 |
1ap4   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1ap4
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 420
_Distance_constraint_stats_list.Viol_count 65
_Distance_constraint_stats_list.Viol_total 186.073
_Distance_constraint_stats_list.Viol_max 0.139
_Distance_constraint_stats_list.Viol_rms 0.0049
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0003
_Distance_constraint_stats_list.Viol_average_violations_only 0.0716
_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 ASP 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 4 ILE 0.097 0.052 37 0 "[ . 1 . 2 . 3 . 4]"
1 5 TYR 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 6 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 7 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 8 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 9 VAL 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 10 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 11 GLN 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 12 LEU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 13 THR 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 14 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 15 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 16 GLN 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 17 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 18 ASN 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 19 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 20 PHE 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 21 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 22 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 23 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 24 PHE 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 25 ASP 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 26 ILE 0.458 0.127 23 0 "[ . 1 . 2 . 3 . 4]"
1 27 PHE 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 28 VAL 3.488 0.139 28 0 "[ . 1 . 2 . 3 . 4]"
1 29 LEU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 30 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 31 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 32 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 33 ASP 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 34 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 35 CYS 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 36 ILE 0.382 0.128 5 0 "[ . 1 . 2 . 3 . 4]"
1 37 SER 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 38 THR 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 39 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 40 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 41 LEU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 42 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 43 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 44 VAL 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 45 MET 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 46 ARG 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 47 MET 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 48 LEU 0.169 0.065 32 0 "[ . 1 . 2 . 3 . 4]"
1 49 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 50 GLN 0.055 0.032 9 0 "[ . 1 . 2 . 3 . 4]"
1 51 ASN 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 52 PRO 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 53 THR 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 54 PRO 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 55 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 56 GLU 0.002 0.002 11 0 "[ . 1 . 2 . 3 . 4]"
1 57 LEU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 58 GLN 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 59 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 60 MET 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 61 ILE 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 62 ASP 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 63 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 64 VAL 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 65 ASP 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 66 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 67 ASP 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 68 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 69 SER 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 71 THR 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 72 VAL 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 73 ASP 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 74 PHE 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 75 ASP 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 76 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 77 PHE 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 78 LEU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 79 VAL 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 80 MET 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 81 MET 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 82 VAL 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 83 ARG 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 84 CYS 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 85 MET 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 86 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 87 ASP 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 89 SER 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 3 ASP H 1 3 ASP QB 2.950 . 4.200 2.711 2.010 3.379 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
2 1 3 ASP H 1 3 ASP HA 2.890 . 4.080 2.827 2.362 3.004 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
3 1 4 ILE H 1 4 ILE MD 3.800 . 5.900 3.493 2.104 4.231 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
4 1 4 ILE H 1 4 ILE HA 2.750 . 3.790 2.836 2.353 3.002 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
5 1 4 ILE H 1 4 ILE HB 2.710 . 3.730 2.970 2.225 3.782 0.052 37 0 "[ . 1 . 2 . 3 . 4]" 1
6 1 5 TYR H 1 5 TYR QE 3.850 . 6.000 4.361 4.109 4.763 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
7 1 5 TYR H 1 5 TYR HB3 2.830 . 3.970 3.501 3.451 3.574 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
8 1 5 TYR H 1 5 TYR QD 3.430 . 5.160 2.247 1.866 2.761 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
9 1 5 TYR H 1 5 TYR HB2 2.640 . 3.580 2.203 2.091 2.377 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
10 1 6 LYS H 1 6 LYS QD 3.660 . 5.620 4.056 3.166 4.714 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
11 1 6 LYS H 1 6 LYS QG 2.780 . 3.860 2.669 1.825 3.439 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
12 1 6 LYS H 1 6 LYS HA 2.710 . 3.710 2.815 2.755 2.906 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
13 1 6 LYS H 1 6 LYS QB 2.820 . 3.940 2.134 1.923 2.533 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
14 1 7 ALA H 1 7 ALA HA 2.700 . 3.700 2.914 2.834 2.975 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
15 1 8 ALA H 1 8 ALA MB 2.620 . 3.540 2.012 1.908 2.169 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
16 1 9 VAL H 1 9 VAL HA 2.750 . 3.810 2.873 2.792 2.945 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
17 1 9 VAL H 1 9 VAL HB 2.400 . 3.100 2.354 2.166 2.478 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
18 1 10 GLU H 1 10 GLU QG 2.970 . 4.240 3.285 1.869 3.850 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
19 1 10 GLU H 1 10 GLU HA 2.690 . 3.680 2.905 2.799 2.940 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
20 1 10 GLU H 1 10 GLU QB 2.760 . 3.820 2.050 1.927 2.427 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
21 1 11 GLN H 1 11 GLN HB2 2.460 . 3.220 2.011 1.935 2.497 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
22 1 11 GLN H 1 11 GLN HA 2.620 . 3.540 2.880 2.799 2.947 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
23 1 11 GLN H 1 11 GLN QG 2.910 . 4.120 3.427 1.888 3.699 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
24 1 12 LEU H 1 12 LEU HG 2.380 . 3.050 2.001 1.836 2.699 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
25 1 12 LEU H 1 12 LEU QD 2.910 . 4.120 2.922 2.503 3.060 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
26 1 12 LEU H 1 12 LEU HB2 2.420 . 3.150 2.400 2.106 2.557 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
27 1 12 LEU H 1 12 LEU HA 2.700 . 3.700 2.837 2.760 2.907 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
28 1 12 LEU H 1 12 LEU HB3 2.710 . 3.730 3.529 3.456 3.549 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
29 1 13 THR H 1 13 THR HB 3.600 . 5.500 3.451 3.159 3.697 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
30 1 14 GLU H 1 14 GLU QB 2.830 . 3.960 2.089 1.923 2.444 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
31 1 14 GLU H 1 14 GLU HA 2.730 . 3.760 2.832 2.754 2.891 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
32 1 14 GLU H 1 14 GLU QG 3.350 . 5.000 3.114 1.869 3.935 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
33 1 15 GLU H 1 15 GLU HA 2.710 . 3.730 2.846 2.753 2.923 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
34 1 15 GLU H 1 15 GLU HB2 2.770 . 3.850 3.529 3.508 3.550 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
35 1 15 GLU H 1 15 GLU QG 3.150 . 4.590 2.022 1.841 2.295 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
36 1 16 GLN H 1 16 GLN QB 3.290 . 4.870 2.218 2.088 2.605 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
37 1 16 GLN H 1 16 GLN HA 2.770 . 3.840 2.914 2.820 2.951 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
38 1 17 LYS H 1 17 LYS QG 2.970 . 4.240 2.501 1.895 3.614 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
39 1 17 LYS H 1 17 LYS QD 2.640 . 3.580 2.806 2.138 3.190 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
40 1 17 LYS H 1 17 LYS QB 2.500 . 3.310 2.238 1.923 2.535 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
41 1 18 ASN H 1 18 ASN HD22 3.620 . 5.540 4.764 4.189 5.392 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
42 1 18 ASN H 1 18 ASN HB2 2.560 . 3.420 2.004 1.935 2.188 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
43 1 18 ASN H 1 18 ASN HA 2.690 . 3.670 2.872 2.808 2.931 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
44 1 18 ASN H 1 18 ASN HB3 2.710 . 3.710 3.343 3.165 3.494 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
45 1 19 GLU H 1 19 GLU QB 2.770 . 3.840 2.058 1.923 2.418 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
46 1 19 GLU H 1 19 GLU QG 3.020 . 4.330 3.273 1.946 3.914 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
47 1 19 GLU H 1 19 GLU HA 2.620 . 3.540 2.896 2.788 2.952 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
48 1 20 PHE H 1 20 PHE QB 3.060 . 4.420 2.190 2.051 2.453 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
49 1 20 PHE H 1 20 PHE QD 3.480 . 5.250 2.472 1.874 3.117 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
50 1 20 PHE H 1 20 PHE QE 3.390 . 5.080 4.411 4.129 4.534 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
51 1 21 LYS H 1 21 LYS QB 2.580 . 3.470 2.122 2.019 2.177 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
52 1 21 LYS H 1 21 LYS HA 2.690 . 3.670 2.838 2.774 2.909 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
53 1 23 ALA H 1 23 ALA HA 2.580 . 3.460 2.854 2.800 2.925 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
54 1 23 ALA H 1 23 ALA MB 2.560 . 3.420 2.036 1.905 2.161 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
55 1 24 PHE H 1 24 PHE HB3 2.640 . 3.580 2.353 2.163 2.769 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
56 1 24 PHE H 1 24 PHE QD 3.450 . 5.200 4.104 4.023 4.145 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
57 1 24 PHE H 1 24 PHE HA 2.760 . 3.820 2.795 2.757 2.852 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
58 1 24 PHE H 1 24 PHE HB2 2.580 . 3.460 2.542 2.162 2.739 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
59 1 25 ASP H 1 25 ASP HA 2.670 . 3.650 2.887 2.860 2.899 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
60 1 25 ASP H 1 25 ASP HB2 2.560 . 3.410 2.101 1.938 2.619 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
61 1 25 ASP H 1 25 ASP HB3 2.730 . 3.760 3.386 3.173 3.531 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
62 1 26 ILE H 1 26 ILE QG 2.670 . 3.640 2.186 1.847 2.537 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
63 1 26 ILE H 1 26 ILE MG 3.050 . 4.400 3.701 3.683 3.725 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
64 1 26 ILE H 1 26 ILE HB 2.430 . 3.160 2.356 2.262 2.539 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
65 1 26 ILE H 1 26 ILE HA 2.600 . 3.500 2.931 2.887 2.965 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
66 1 26 ILE H 1 26 ILE MD 3.210 . 4.710 3.651 2.995 3.929 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
67 1 27 PHE H 1 27 PHE HA 2.770 . 3.840 2.927 2.879 2.960 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
68 1 27 PHE H 1 27 PHE QE 3.400 . 5.090 4.096 3.829 4.505 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
69 1 27 PHE H 1 27 PHE HB2 2.690 . 3.670 2.551 2.402 2.665 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
70 1 27 PHE H 1 27 PHE HB3 2.770 . 3.850 3.547 3.511 3.585 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
71 1 28 VAL H 1 28 VAL MG1 2.840 . 3.980 2.283 1.962 2.874 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
72 1 28 VAL H 1 28 VAL HA 2.810 . 3.910 2.942 2.885 2.992 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
73 1 28 VAL H 1 28 VAL HB 2.580 . 3.460 3.547 3.513 3.599 0.139 28 0 "[ . 1 . 2 . 3 . 4]" 1
74 1 28 VAL H 1 28 VAL MG2 2.620 . 3.540 1.925 1.799 2.207 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
75 1 29 LEU H 1 29 LEU MD2 3.840 . 5.980 3.453 1.750 4.346 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
76 1 29 LEU H 1 29 LEU QB 2.750 . 3.790 2.031 1.921 2.278 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
77 1 29 LEU H 1 29 LEU HA 2.620 . 3.540 2.805 2.761 2.890 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
78 1 30 GLY H 1 30 GLY QA 2.670 . 3.650 2.362 2.240 2.448 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
79 1 31 ALA H 1 31 ALA MB 2.540 . 3.370 2.075 1.913 2.236 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
80 1 31 ALA H 1 31 ALA HA 2.580 . 3.460 2.854 2.768 2.971 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
81 1 32 GLU H 1 32 GLU QG 3.220 . 4.740 2.329 1.882 3.187 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
82 1 32 GLU H 1 32 GLU QB 2.620 . 3.540 2.469 2.210 3.177 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
83 1 33 ASP H 1 33 ASP HB2 3.210 . 4.720 3.705 3.578 3.870 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
84 1 33 ASP H 1 33 ASP HA 2.610 . 3.520 2.993 2.962 3.003 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
85 1 33 ASP H 1 33 ASP HB3 2.980 . 4.260 2.992 2.595 3.406 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
86 1 34 GLY H 1 34 GLY QA 2.350 . 3.000 2.337 2.232 2.480 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
87 1 35 CYS H 1 35 CYS HB2 2.680 . 3.660 2.402 2.150 2.667 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
88 1 35 CYS H 1 35 CYS HA 2.630 . 3.570 2.994 2.962 3.005 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
89 1 35 CYS H 1 35 CYS HB3 2.980 . 4.260 3.566 3.267 3.765 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
90 1 36 ILE H 1 36 ILE MD 3.540 . 5.370 3.572 3.420 3.694 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
91 1 36 ILE H 1 36 ILE QG 2.730 . 3.770 1.893 1.813 2.069 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
92 1 36 ILE H 1 36 ILE HA 2.630 . 3.560 2.989 2.959 3.003 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
93 1 36 ILE H 1 36 ILE MG 3.600 . 5.500 3.791 3.713 3.860 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
94 1 37 SER H 1 37 SER HA 2.650 . 3.590 2.838 2.748 2.967 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
95 1 37 SER H 1 37 SER QB 2.830 . 3.960 2.283 1.917 2.858 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
96 1 38 THR H 1 38 THR MG 2.900 . 4.100 2.030 1.814 2.425 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
97 1 38 THR H 1 38 THR HA 2.810 . 3.930 2.863 2.780 2.942 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
98 1 39 LYS H 1 39 LYS QB 2.880 . 4.050 2.106 1.916 2.437 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
99 1 39 LYS H 1 39 LYS HA 2.960 . 4.210 2.831 2.762 2.896 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
100 1 40 GLU H 1 40 GLU QB 3.160 . 4.620 2.213 2.021 2.483 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
101 1 41 LEU H 1 41 LEU QB 2.630 . 3.570 2.208 1.926 2.446 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
102 1 41 LEU H 1 41 LEU HA 2.650 . 3.610 2.903 2.750 3.004 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
103 1 42 GLY H 1 42 GLY QA 2.570 . 3.440 2.240 2.235 2.267 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
104 1 43 LYS H 1 43 LYS QG 2.730 . 3.770 2.428 1.863 3.364 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
105 1 43 LYS H 1 43 LYS HA 2.750 . 3.810 2.843 2.789 2.927 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
106 1 43 LYS H 1 43 LYS QD 3.630 . 5.560 3.709 1.840 4.612 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
107 1 44 VAL H 1 44 VAL MG2 2.590 . 3.480 2.211 1.971 2.534 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
108 1 44 VAL H 1 44 VAL HA 2.660 . 3.620 2.886 2.794 2.937 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
109 1 45 MET H 1 45 MET QB 2.710 . 3.720 2.169 2.028 2.509 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
110 1 45 MET H 1 45 MET HA 2.640 . 3.580 2.837 2.762 2.921 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
111 1 45 MET H 1 45 MET QG 2.540 . 3.380 2.519 1.838 2.860 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
112 1 46 ARG H 1 46 ARG HA 2.620 . 3.540 2.884 2.788 2.934 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
113 1 46 ARG H 1 46 ARG QG 2.830 . 3.950 2.720 1.964 3.513 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
114 1 46 ARG H 1 46 ARG QD 3.850 . 6.000 3.993 3.088 4.498 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
115 1 47 MET H 1 47 MET QB 3.080 . 4.460 2.318 1.996 2.663 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
116 1 47 MET H 1 47 MET HA 2.770 . 3.850 2.898 2.785 2.944 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
117 1 47 MET H 1 47 MET QG 2.690 . 3.680 2.246 1.838 3.134 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
118 1 48 LEU H 1 48 LEU MD1 3.730 . 5.760 3.509 2.522 4.082 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
119 1 48 LEU H 1 48 LEU HA 2.730 . 3.750 2.832 2.759 2.904 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
120 1 48 LEU H 1 48 LEU MD2 3.850 . 6.000 3.343 1.842 4.305 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
121 1 49 GLY H 1 49 GLY QA 2.400 . 3.100 2.441 2.349 2.533 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
122 1 50 GLN H 1 50 GLN HA 2.640 . 3.580 2.998 2.957 3.004 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
123 1 50 GLN H 1 50 GLN HB2 2.580 . 3.460 2.453 2.199 2.737 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
124 1 51 ASN H 1 51 ASN QB 2.870 . 4.040 2.733 2.483 3.201 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
125 1 51 ASN H 1 51 ASN HA 3.000 . 4.290 2.978 2.966 2.997 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
126 1 53 THR H 1 53 THR HA 2.620 . 3.540 2.961 2.868 3.003 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
127 1 53 THR H 1 53 THR MG 2.770 . 3.840 2.982 2.022 3.212 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
128 1 55 GLU H 1 55 GLU HA 2.780 . 3.860 2.909 2.843 2.943 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
129 1 56 GLU H 1 56 GLU HB3 2.600 . 3.500 3.387 3.186 3.502 0.002 11 0 "[ . 1 . 2 . 3 . 4]" 1
130 1 57 LEU H 1 57 LEU QD 3.850 . 6.000 2.836 1.844 3.641 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
131 1 57 LEU H 1 57 LEU QB 3.170 . 4.630 2.023 1.921 2.432 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
132 1 58 GLN H 1 58 GLN QB 2.880 . 4.050 2.108 2.020 2.185 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
133 1 58 GLN H 1 58 GLN QG 3.330 . 4.960 3.881 3.719 4.026 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
134 1 58 GLN H 1 58 GLN HA 2.800 . 3.900 2.838 2.744 2.931 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
135 1 59 GLU H 1 59 GLU HA 2.750 . 3.790 2.840 2.752 2.938 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
136 1 61 ILE H 1 61 ILE HB 3.350 . 5.000 2.313 2.141 2.540 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
137 1 61 ILE H 1 61 ILE MD 3.850 . 6.000 3.205 2.012 4.059 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
138 1 61 ILE H 1 61 ILE QG 3.560 . 5.420 2.435 1.872 3.471 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
139 1 62 ASP H 1 62 ASP QB 2.700 . 3.700 2.139 1.927 2.496 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
140 1 62 ASP H 1 62 ASP HA 2.650 . 3.610 2.900 2.810 2.995 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
141 1 63 GLU H 1 63 GLU HA 2.830 . 3.960 2.975 2.918 3.003 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
142 1 63 GLU H 1 63 GLU QB 3.010 . 4.320 2.290 1.971 3.017 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
143 1 63 GLU H 1 63 GLU QG 2.850 . 4.000 2.830 1.857 3.653 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
144 1 64 VAL H 1 64 VAL HA 2.740 . 3.780 2.968 2.887 3.002 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
145 1 64 VAL H 1 64 VAL MG1 2.800 . 3.900 2.239 1.873 3.268 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
146 1 65 ASP H 1 65 ASP HA 2.660 . 3.620 2.848 2.759 2.968 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
147 1 65 ASP H 1 65 ASP QB 2.520 . 3.350 2.040 1.920 2.224 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
148 1 66 GLU H 1 66 GLU QG 3.480 . 5.250 3.099 1.847 4.187 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
149 1 66 GLU H 1 66 GLU HA 2.870 . 4.040 2.952 2.826 3.004 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
150 1 67 ASP H 1 67 ASP QB 2.810 . 3.920 2.682 2.074 3.301 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
151 1 67 ASP H 1 67 ASP HA 2.620 . 3.540 2.956 2.862 3.004 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
152 1 68 GLY H 1 68 GLY QA 2.440 . 3.190 2.260 2.234 2.365 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
153 1 69 SER H 1 69 SER HA 2.810 . 3.920 2.943 2.805 3.002 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
154 1 69 SER H 1 69 SER QB 3.270 . 4.840 2.554 2.160 2.925 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
155 1 71 THR H 1 71 THR HA 2.630 . 3.570 2.983 2.955 3.004 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
156 1 71 THR H 1 71 THR HB 3.080 . 4.460 3.602 3.488 3.768 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
157 1 71 THR H 1 71 THR MG 3.480 . 5.250 2.665 1.865 3.381 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
158 1 72 VAL H 1 72 VAL HA 2.650 . 3.610 2.987 2.956 2.998 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
159 1 72 VAL H 1 72 VAL HB 2.480 . 3.270 2.655 2.484 2.750 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
160 1 72 VAL H 1 72 VAL MG2 2.920 . 4.140 2.135 1.901 2.436 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
161 1 72 VAL H 1 72 VAL MG1 3.120 . 4.540 3.796 3.740 3.846 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
162 1 74 PHE H 1 74 PHE HB3 2.560 . 3.420 2.772 2.463 3.045 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
163 1 74 PHE H 1 74 PHE HB2 2.590 . 3.480 2.240 1.978 2.975 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
164 1 74 PHE H 1 74 PHE QD 3.850 . 6.000 3.969 3.521 4.367 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
165 1 75 ASP H 1 75 ASP QB 2.790 . 3.880 2.121 1.920 2.521 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
166 1 75 ASP H 1 75 ASP HA 2.730 . 3.760 2.879 2.809 2.952 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
167 1 76 GLU H 1 76 GLU QB 3.650 . 5.590 2.348 2.101 2.464 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
168 1 76 GLU H 1 76 GLU QG 2.540 . 3.390 2.117 1.851 2.675 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
169 1 77 PHE H 1 77 PHE HB2 2.500 . 3.310 2.361 2.221 2.589 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
170 1 77 PHE H 1 77 PHE HB3 2.560 . 3.420 2.544 2.295 2.731 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
171 1 77 PHE H 1 77 PHE HA 2.710 . 3.710 2.790 2.747 2.867 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
172 1 78 LEU H 1 78 LEU MD2 3.510 . 5.320 3.886 3.565 4.256 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
173 1 78 LEU H 1 78 LEU HB2 2.640 . 3.580 2.056 1.965 2.252 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
174 1 79 VAL H 1 79 VAL HA 2.750 . 3.790 2.807 2.783 2.925 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
175 1 79 VAL H 1 79 VAL HB 2.360 . 3.020 2.512 2.302 2.641 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
176 1 79 VAL H 1 79 VAL MG1 3.620 . 5.540 3.703 3.682 3.714 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
177 1 80 MET H 1 80 MET QB 2.570 . 3.440 2.026 1.925 2.552 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
178 1 80 MET H 1 80 MET HA 2.690 . 3.680 2.851 2.764 2.929 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
179 1 81 MET H 1 81 MET HB3 2.900 . 4.100 3.352 3.150 3.523 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
180 1 81 MET H 1 81 MET HB2 2.700 . 3.700 2.036 1.937 2.425 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
181 1 81 MET H 1 81 MET QG 2.790 . 3.880 3.031 1.903 3.470 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
182 1 81 MET H 1 81 MET HA 2.650 . 3.590 2.882 2.801 2.927 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
183 1 82 VAL H 1 82 VAL HA 2.630 . 3.570 2.812 2.791 2.888 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
184 1 82 VAL H 1 82 VAL HB 2.500 . 3.300 2.487 1.990 2.646 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
185 1 83 ARG H 1 83 ARG QD 3.850 . 6.000 4.010 3.597 4.446 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
186 1 83 ARG H 1 83 ARG HB3 2.810 . 3.930 3.436 3.382 3.549 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
187 1 84 CYS H 1 84 CYS QB 2.700 . 3.700 2.160 1.936 2.471 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
188 1 84 CYS H 1 84 CYS HA 2.620 . 3.540 2.923 2.754 3.001 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
189 1 85 MET H 1 85 MET QG 2.750 . 3.800 2.503 1.843 3.377 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
190 1 89 SER H 1 89 SER QB 3.340 . 4.980 2.694 2.015 3.384 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
191 1 89 SER H 1 89 SER HA 2.770 . 3.840 2.763 2.363 3.003 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
192 1 22 ALA HA 1 22 ALA MB 2.420 . 3.140 2.132 2.114 2.157 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
193 1 22 ALA H 1 22 ALA HA 2.480 . 3.260 2.841 2.759 2.896 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
194 1 22 ALA H 1 22 ALA MB 2.950 . 4.200 2.004 1.907 2.158 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
195 1 23 ALA HA 1 23 ALA MB 2.440 . 3.180 2.137 2.115 2.159 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
196 1 31 ALA HA 1 31 ALA MB 2.440 . 3.170 2.141 2.115 2.157 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
197 1 7 ALA HA 1 7 ALA MB 2.420 . 3.130 2.132 2.115 2.156 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
198 1 7 ALA H 1 7 ALA MB 2.450 . 3.200 2.025 1.910 2.201 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
199 1 8 ALA HA 1 8 ALA MB 2.420 . 3.150 2.132 2.114 2.156 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
200 1 35 CYS HA 1 35 CYS HB3 2.690 . 3.670 2.669 2.503 2.861 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
201 1 35 CYS HA 1 35 CYS HB2 2.770 . 3.850 2.985 2.863 3.038 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
202 1 25 ASP HA 1 25 ASP HB3 2.660 . 3.620 2.686 2.387 2.867 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
203 1 25 ASP HA 1 25 ASP HB2 2.820 . 3.940 2.965 2.856 3.037 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
204 1 3 ASP HA 1 3 ASP QB 2.670 . 3.630 2.404 2.198 2.550 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
205 1 33 ASP HA 1 33 ASP HB2 2.680 . 3.660 2.492 2.392 2.617 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
206 1 62 ASP HA 1 62 ASP QB 2.650 . 3.610 2.424 2.200 2.550 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
207 1 73 ASP HA 1 73 ASP QB 2.670 . 3.640 2.383 2.189 2.537 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
208 1 87 ASP H 1 87 ASP QB 3.410 . 5.120 2.561 1.945 3.220 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
209 1 10 GLU HA 1 10 GLU QB 2.660 . 3.620 2.481 2.281 2.550 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
210 1 10 GLU HA 1 10 GLU QG 2.910 . 4.120 2.235 1.913 3.101 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
211 1 14 GLU HA 1 14 GLU QG 3.310 . 4.910 2.415 1.910 3.307 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
212 1 15 GLU HA 1 15 GLU HB2 2.650 . 3.590 2.486 2.390 2.588 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
213 1 15 GLU HA 1 15 GLU HB3 2.690 . 3.680 2.468 2.377 2.572 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
214 1 15 GLU HA 1 15 GLU QG 2.810 . 3.920 3.309 3.278 3.405 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
215 1 15 GLU HB2 1 15 GLU QG 2.650 . 3.610 2.388 2.170 2.545 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
216 1 19 GLU HA 1 19 GLU QB 2.670 . 3.640 2.482 2.290 2.552 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
217 1 19 GLU HA 1 19 GLU QG 2.870 . 4.040 2.226 1.914 3.081 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
218 1 55 GLU HA 1 55 GLU QG 2.900 . 4.090 2.219 1.914 3.287 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
219 1 55 GLU H 1 55 GLU QB 2.850 . 4.000 2.089 1.936 2.427 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
220 1 55 GLU H 1 55 GLU QG 3.460 . 5.220 3.240 2.036 3.986 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
221 1 56 GLU H 1 56 GLU HB2 2.220 . 2.740 2.053 1.949 2.234 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
222 1 59 GLU HA 1 59 GLU QG 3.040 . 4.370 2.215 1.912 3.014 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
223 1 59 GLU H 1 59 GLU QG 3.420 . 5.130 3.523 2.137 4.007 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
224 1 63 GLU HA 1 63 GLU QG 3.180 . 4.660 2.538 1.937 3.303 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
225 1 66 GLU H 1 66 GLU QB 3.210 . 4.710 2.269 1.920 2.752 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
226 1 76 GLU HA 1 76 GLU QG 2.260 . 2.820 2.431 2.243 2.525 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
227 1 24 PHE HA 1 24 PHE HB2 2.690 . 3.690 2.405 2.323 2.589 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
228 1 24 PHE HA 1 24 PHE HB3 2.670 . 3.640 3.026 2.995 3.038 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
229 1 27 PHE HA 1 27 PHE HB2 2.980 . 4.250 3.027 3.016 3.036 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
230 1 27 PHE HA 1 27 PHE HB3 2.690 . 3.670 2.401 2.361 2.460 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
231 1 74 PHE HA 1 74 PHE HB2 2.690 . 3.670 2.597 2.452 2.749 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
232 1 74 PHE HA 1 74 PHE HB3 2.840 . 3.980 3.015 2.952 3.037 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
233 1 74 PHE H 1 74 PHE HA 2.870 . 4.040 2.818 2.760 3.002 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
234 1 77 PHE HA 1 77 PHE HB2 2.700 . 3.700 2.482 2.380 2.584 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
235 1 77 PHE HA 1 77 PHE HB3 2.890 . 4.080 3.034 3.023 3.039 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
236 1 26 ILE HA 1 26 ILE HB 2.710 . 3.720 3.030 3.025 3.036 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
237 1 26 ILE HA 1 26 ILE MD 2.980 . 4.250 3.109 1.857 3.616 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
238 1 26 ILE HA 1 26 ILE QG 2.690 . 3.690 2.450 2.204 3.015 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
239 1 26 ILE HA 1 26 ILE MG 2.770 . 3.830 2.387 2.171 2.499 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
240 1 26 ILE HB 1 26 ILE MD 2.830 . 3.960 2.733 2.479 3.199 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
241 1 26 ILE MD 1 26 ILE MG 2.460 . 3.220 1.776 1.573 1.936 0.127 23 0 "[ . 1 . 2 . 3 . 4]" 1
242 1 26 ILE QG 1 26 ILE MG 3.100 . 4.500 2.398 2.235 2.483 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
243 1 36 ILE HA 1 36 ILE MG 3.290 . 4.880 2.055 1.978 2.155 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
244 1 36 ILE HB 1 36 ILE MD 2.710 . 3.710 2.358 2.196 2.457 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
245 1 36 ILE HA 1 36 ILE MD 3.580 . 5.460 3.910 3.815 3.979 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
246 1 36 ILE MD 1 36 ILE MG 2.480 . 3.260 1.808 1.572 2.038 0.128 5 0 "[ . 1 . 2 . 3 . 4]" 1
247 1 4 ILE HA 1 4 ILE HB 2.650 . 3.600 2.858 2.407 3.038 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
248 1 4 ILE HA 1 4 ILE MD 3.810 . 5.920 3.894 3.541 4.134 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
249 1 4 ILE HB 1 4 ILE MD 3.230 . 4.760 2.246 1.891 2.476 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
250 1 4 ILE HA 1 4 ILE QG 2.790 . 3.870 2.708 2.315 3.380 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
251 1 4 ILE H 1 4 ILE QG 2.690 . 3.680 2.163 1.848 2.786 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
252 1 4 ILE HA 1 4 ILE MG 3.060 . 4.420 2.315 2.081 2.491 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
253 1 4 ILE H 1 4 ILE MG 3.330 . 4.950 3.303 1.838 4.007 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
254 1 61 ILE HA 1 61 ILE HB 2.770 . 3.830 3.029 3.013 3.038 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
255 1 61 ILE HB 1 61 ILE MD 3.220 . 4.740 2.137 1.914 2.463 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
256 1 61 ILE HA 1 61 ILE MD 3.850 . 6.000 3.761 2.143 3.889 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
257 1 61 ILE HA 1 61 ILE MG 2.690 . 3.680 2.426 2.280 2.541 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
258 1 17 LYS HA 1 17 LYS QD 3.450 . 5.200 3.891 2.985 4.259 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
259 1 17 LYS HA 1 17 LYS QG 3.170 . 4.630 2.490 1.943 3.312 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
260 1 17 LYS QB 1 17 LYS QE 3.850 . 6.000 2.763 1.983 3.631 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
261 1 21 LYS HA 1 21 LYS QD 3.230 . 4.750 3.713 2.196 4.183 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
262 1 21 LYS QB 1 21 LYS QD 2.610 . 3.530 2.078 1.888 2.284 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
263 1 21 LYS HA 1 21 LYS QG 3.210 . 4.710 2.329 2.071 2.545 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
264 1 39 LYS HA 1 39 LYS QD 3.850 . 6.000 3.295 1.837 4.308 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
265 1 39 LYS HA 1 39 LYS QG 3.330 . 4.960 2.292 1.920 3.300 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
266 1 43 LYS HA 1 43 LYS QG 2.940 . 4.180 2.501 1.955 3.351 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
267 1 43 LYS HA 1 43 LYS QD 3.850 . 6.000 3.849 2.829 4.467 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
268 1 43 LYS QE 1 43 LYS QG 3.020 . 4.330 2.131 1.902 2.519 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
269 1 6 LYS HA 1 6 LYS QG 2.770 . 3.850 2.423 1.910 3.333 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
270 1 6 LYS QB 1 6 LYS QE 3.850 . 6.000 3.067 1.826 3.652 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
271 1 6 LYS HA 1 6 LYS QD 3.850 . 6.000 3.749 1.927 4.571 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
272 1 6 LYS QD 1 6 LYS QG 2.300 . 2.900 2.066 2.009 2.109 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
273 1 6 LYS QE 1 6 LYS QG 3.060 . 4.420 2.144 1.892 2.723 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
274 1 86 LYS HA 1 86 LYS QD 3.410 . 5.120 3.524 1.936 4.277 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
275 1 86 LYS HA 1 86 LYS QG 3.330 . 4.950 2.227 1.931 3.306 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
276 1 86 LYS H 1 86 LYS HA 2.700 . 3.700 2.739 2.363 3.003 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
277 1 86 LYS H 1 86 LYS QB 2.790 . 3.870 2.533 1.936 3.239 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
278 1 86 LYS H 1 86 LYS QG 3.800 . 5.900 3.475 2.086 4.252 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
279 1 12 LEU HA 1 12 LEU HB3 2.670 . 3.630 2.511 2.446 2.663 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
280 1 12 LEU HA 1 12 LEU HB2 2.870 . 4.040 3.034 2.999 3.039 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
281 1 12 LEU HA 1 12 LEU QD 2.650 . 3.590 2.025 1.821 2.399 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
282 1 12 LEU HA 1 12 LEU HG 3.090 . 4.480 2.887 2.399 3.253 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
283 1 12 LEU HB3 1 12 LEU QD 2.860 . 4.020 2.057 1.974 2.139 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
284 1 12 LEU HB3 1 12 LEU HG 2.830 . 3.960 3.024 2.998 3.034 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
285 1 12 LEU HB2 1 12 LEU HG 2.730 . 3.750 2.527 2.397 2.644 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
286 1 12 LEU HA 1 12 LEU MD2 2.790 . 3.880 2.034 1.825 2.422 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
287 1 12 LEU HB3 1 12 LEU MD2 3.250 . 4.800 2.250 2.046 2.430 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
288 1 12 LEU H 1 12 LEU MD2 3.350 . 5.000 3.322 2.561 3.977 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
289 1 29 LEU HA 1 29 LEU QB 2.670 . 3.640 2.509 2.190 2.550 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
290 1 29 LEU HA 1 29 LEU MD2 3.080 . 4.460 2.605 1.839 3.729 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
291 1 29 LEU HA 1 29 LEU MD1 3.770 . 5.840 2.885 1.926 4.106 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
292 1 29 LEU HA 1 29 LEU HG 3.640 . 5.580 2.737 1.959 3.781 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
293 1 29 LEU H 1 29 LEU HG 3.310 . 4.920 3.546 2.159 4.348 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
294 1 41 LEU HA 1 41 LEU MD1 3.310 . 4.910 3.226 2.418 3.711 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
295 1 41 LEU HA 1 41 LEU HG 3.270 . 4.840 3.121 1.949 3.641 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
296 1 48 LEU HA 1 48 LEU MD2 3.000 . 4.300 2.056 1.826 2.821 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
297 1 48 LEU HA 1 48 LEU HG 2.710 . 3.730 2.842 2.046 3.596 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
298 1 48 LEU H 1 48 LEU QB 2.690 . 3.670 2.214 1.917 2.483 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
299 1 48 LEU HA 1 48 LEU MD1 3.830 . 5.960 3.587 2.114 3.862 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
300 1 48 LEU MD2 1 48 LEU HG 2.480 . 3.270 2.132 2.111 2.154 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
301 1 48 LEU H 1 48 LEU HG 2.630 . 3.560 2.523 1.870 3.625 0.065 32 0 "[ . 1 . 2 . 3 . 4]" 1
302 1 57 LEU HA 1 57 LEU QD 2.810 . 3.930 2.348 1.831 2.881 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
303 1 78 LEU HA 1 78 LEU HB2 2.790 . 3.880 2.977 2.890 3.028 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
304 1 78 LEU HA 1 78 LEU MD1 3.550 . 5.400 3.715 3.572 3.793 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
305 1 78 LEU HA 1 78 LEU MD2 2.910 . 4.120 2.007 1.833 2.724 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
306 1 78 LEU HA 1 78 LEU HB3 2.670 . 3.650 2.697 2.556 2.834 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
307 1 78 LEU HB3 1 78 LEU MD1 3.010 . 4.320 2.391 2.209 2.749 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
308 1 78 LEU HB3 1 78 LEU MD2 3.000 . 4.290 2.253 1.990 2.357 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
309 1 78 LEU H 1 78 LEU HB3 2.810 . 3.920 3.414 3.234 3.510 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
310 1 78 LEU HB2 1 78 LEU MD1 3.210 . 4.720 2.313 1.998 2.473 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
311 1 78 LEU H 1 78 LEU MD1 3.850 . 6.000 3.630 3.090 3.951 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
312 1 78 LEU HA 1 78 LEU HG 3.200 . 4.700 2.582 2.087 2.803 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
313 1 78 LEU HB2 1 78 LEU HG 2.870 . 4.040 2.511 2.433 2.755 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
314 1 78 LEU MD1 1 78 LEU HG 2.420 . 3.140 2.131 2.107 2.151 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
315 1 78 LEU H 1 78 LEU HG 3.020 . 4.330 2.876 2.281 3.449 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
316 1 45 MET HA 1 45 MET QG 2.750 . 3.790 2.333 2.138 3.093 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
317 1 47 MET HA 1 47 MET QG 2.810 . 3.920 2.835 2.005 3.429 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
318 1 47 MET HA 1 47 MET ME 3.850 . 6.000 4.402 3.734 5.009 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
319 1 47 MET ME 1 47 MET QG 3.210 . 4.710 2.178 1.883 2.489 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
320 1 60 MET HA 1 60 MET ME 3.270 . 4.840 3.412 1.919 4.054 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
321 1 60 MET ME 1 60 MET QG 3.390 . 5.080 2.091 1.871 2.443 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
322 1 60 MET HA 1 60 MET QG 3.280 . 4.860 2.293 1.981 3.305 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
323 1 80 MET HA 1 80 MET QG 2.940 . 4.170 2.228 1.911 3.389 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
324 1 80 MET H 1 80 MET ME 3.850 . 6.000 4.480 3.813 4.930 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
325 1 80 MET H 1 80 MET QG 3.380 . 5.050 3.163 1.937 3.636 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
326 1 81 MET HA 1 81 MET HB3 2.680 . 3.660 2.737 2.496 2.868 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
327 1 81 MET HA 1 81 MET QG 3.100 . 4.500 2.201 1.930 2.919 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
328 1 81 MET HA 1 81 MET ME 3.470 . 5.240 3.983 2.986 4.384 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
329 1 81 MET HB3 1 81 MET ME 3.650 . 5.600 3.901 2.643 4.241 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
330 1 81 MET H 1 81 MET ME 3.730 . 5.760 4.437 3.457 4.812 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
331 1 85 MET HA 1 85 MET ME 3.850 . 6.000 4.534 3.880 5.007 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
332 1 18 ASN HA 1 18 ASN HB3 2.650 . 3.610 2.760 2.607 2.858 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
333 1 18 ASN HA 1 18 ASN HB2 2.720 . 3.740 2.940 2.866 3.017 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
334 1 18 ASN HB3 1 18 ASN HD21 3.170 . 4.640 2.980 2.354 3.617 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
335 1 18 ASN HB2 1 18 ASN HD21 3.150 . 4.590 2.486 2.246 3.026 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
336 1 18 ASN HB2 1 18 ASN HD22 2.910 . 4.120 3.608 3.512 3.837 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
337 1 51 ASN QB 1 51 ASN HD22 3.100 . 4.500 3.318 3.273 3.469 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
338 1 52 PRO QB 1 52 PRO QD 3.080 . 4.460 2.838 2.805 2.894 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
339 1 52 PRO HA 1 52 PRO QG 3.170 . 4.640 3.515 3.509 3.523 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
340 1 54 PRO HA 1 54 PRO QD 3.820 . 5.940 3.408 3.371 3.435 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
341 1 54 PRO HA 1 54 PRO QG 3.140 . 4.580 3.512 3.505 3.517 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
342 1 11 GLN HA 1 11 GLN HB2 2.790 . 3.880 2.911 2.853 3.037 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
343 1 11 GLN HA 1 11 GLN HB3 2.660 . 3.620 2.786 2.432 2.870 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
344 1 11 GLN HA 1 11 GLN QG 3.090 . 4.480 2.125 1.900 3.075 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
345 1 11 GLN HB3 1 11 GLN QG 2.580 . 3.460 2.204 2.165 2.483 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
346 1 16 GLN H 1 16 GLN QG 3.400 . 5.090 3.679 1.816 4.007 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
347 1 16 GLN HA 1 16 GLN QG 3.290 . 4.880 2.486 2.187 2.975 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
348 1 50 GLN HA 1 50 GLN HB2 2.810 . 3.910 3.024 2.927 3.040 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
349 1 50 GLN HA 1 50 GLN HB3 2.690 . 3.690 2.535 2.398 2.787 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
350 1 50 GLN H 1 50 GLN HB3 2.810 . 3.910 3.661 3.438 3.804 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
351 1 50 GLN HA 1 50 GLN QG 2.990 . 4.280 2.357 1.997 2.980 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
352 1 50 GLN HB2 1 50 GLN QG 2.650 . 3.610 2.305 2.167 2.544 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
353 1 50 GLN H 1 50 GLN QG 3.000 . 4.300 3.032 2.341 3.841 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
354 1 58 GLN HA 1 58 GLN QG 3.240 . 4.780 2.723 2.340 3.229 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
355 1 46 ARG HA 1 46 ARG QG 2.790 . 3.870 2.206 1.962 2.687 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
356 1 46 ARG H 1 46 ARG QB 3.430 . 5.160 2.116 1.936 2.489 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
357 1 46 ARG HA 1 46 ARG QD 3.350 . 5.000 3.568 2.156 4.069 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
358 1 83 ARG HA 1 83 ARG HB2 2.730 . 3.750 2.987 2.942 3.031 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
359 1 83 ARG HA 1 83 ARG HB3 2.700 . 3.700 2.680 2.562 2.764 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
360 1 83 ARG HA 1 83 ARG QG 2.540 . 3.380 2.151 1.987 2.323 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
361 1 83 ARG H 1 83 ARG HA 2.690 . 3.690 2.881 2.811 2.973 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
362 1 83 ARG H 1 83 ARG HB2 2.710 . 3.730 2.079 2.004 2.243 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
363 1 83 ARG HA 1 83 ARG QD 3.850 . 6.000 3.905 2.811 4.109 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
364 1 83 ARG H 1 83 ARG QG 2.460 . 3.220 2.740 2.290 2.885 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
365 1 89 SER HA 1 89 SER QB 2.560 . 3.420 2.360 2.174 2.550 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
366 1 13 THR HA 1 13 THR HB 2.650 . 3.590 2.648 2.420 2.866 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
367 1 13 THR HA 1 13 THR MG 3.070 . 4.440 2.174 1.940 2.404 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
368 1 13 THR H 1 13 THR MG 2.950 . 4.200 2.700 1.925 3.477 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
369 1 38 THR HA 1 38 THR HB 2.670 . 3.640 2.470 2.378 2.587 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
370 1 38 THR HA 1 38 THR MG 2.730 . 3.760 2.944 2.265 3.189 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
371 1 53 THR HA 1 53 THR MG 3.040 . 4.380 2.143 1.915 2.542 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
372 1 53 THR HA 1 53 THR HB 2.670 . 3.650 2.692 2.385 2.829 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
373 1 71 THR HA 1 71 THR HB 2.670 . 3.640 2.533 2.391 2.699 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
374 1 71 THR HA 1 71 THR MG 2.640 . 3.580 2.263 1.987 2.510 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
375 1 28 VAL HA 1 28 VAL HB 2.660 . 3.620 2.456 2.393 2.585 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
376 1 28 VAL HA 1 28 VAL MG1 3.160 . 4.620 2.320 2.184 2.454 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
377 1 28 VAL HA 1 28 VAL MG2 3.310 . 4.910 3.186 3.175 3.199 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
378 1 28 VAL HB 1 28 VAL MG2 2.460 . 3.230 2.131 2.107 2.151 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
379 1 28 VAL MG1 1 28 VAL MG2 2.710 . 3.710 1.972 1.862 2.061 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
380 1 44 VAL HA 1 44 VAL HB 2.690 . 3.690 3.033 3.012 3.040 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
381 1 44 VAL HA 1 44 VAL QG 2.560 . 3.430 2.045 2.010 2.104 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
382 1 44 VAL H 1 44 VAL HB 2.400 . 3.110 2.350 2.117 2.596 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
383 1 44 VAL HA 1 44 VAL MG1 2.680 . 3.660 2.351 2.149 2.546 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
384 1 44 VAL HB 1 44 VAL MG1 2.480 . 3.250 2.123 2.108 2.149 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
385 1 44 VAL H 1 44 VAL MG1 3.170 . 4.630 3.688 3.610 3.720 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
386 1 44 VAL HA 1 44 VAL MG2 2.750 . 3.810 2.265 2.156 2.441 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
387 1 64 VAL HA 1 64 VAL HB 2.690 . 3.680 2.587 2.478 2.916 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
388 1 64 VAL HA 1 64 VAL MG1 2.830 . 3.950 3.169 2.876 3.195 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
389 1 64 VAL HB 1 64 VAL MG1 2.440 . 3.170 2.127 2.106 2.151 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
390 1 72 VAL HA 1 72 VAL HB 2.710 . 3.730 3.022 3.011 3.034 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
391 1 72 VAL HA 1 72 VAL MG2 3.090 . 4.480 2.502 2.354 2.587 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
392 1 72 VAL HA 1 72 VAL MG1 2.760 . 3.820 2.213 2.048 2.319 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
393 1 72 VAL HB 1 72 VAL MG1 2.490 . 3.280 2.134 2.103 2.150 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
394 1 79 VAL HA 1 79 VAL MG1 3.140 . 4.580 2.386 2.264 2.476 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
395 1 79 VAL HB 1 79 VAL MG1 2.480 . 3.270 2.145 2.123 2.151 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
396 1 82 VAL HA 1 82 VAL MG1 3.010 . 4.320 3.184 3.097 3.199 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
397 1 82 VAL HA 1 82 VAL MG2 3.160 . 4.620 2.425 2.162 2.563 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
398 1 82 VAL HA 1 82 VAL HB 2.670 . 3.640 2.434 2.367 2.751 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
399 1 82 VAL HB 1 82 VAL MG1 2.440 . 3.180 2.139 2.105 2.151 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
400 1 9 VAL HA 1 9 VAL HB 2.690 . 3.670 3.034 3.019 3.039 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
401 1 9 VAL HA 1 9 VAL MG1 2.580 . 3.460 2.407 2.279 2.508 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
402 1 9 VAL H 1 9 VAL MG1 3.140 . 4.580 3.695 3.641 3.729 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
403 1 9 VAL HA 1 9 VAL MG2 3.270 . 4.830 2.291 2.095 2.430 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
404 1 9 VAL H 1 9 VAL MG2 3.160 . 4.620 2.198 1.854 2.585 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
405 1 5 TYR HA 1 5 TYR HB2 2.790 . 3.880 3.017 2.993 3.038 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
406 1 5 TYR HA 1 5 TYR HB3 2.670 . 3.630 2.596 2.480 2.669 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
407 1 5 TYR H 1 5 TYR HA 2.870 . 4.040 2.884 2.767 2.969 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
408 1 20 PHE HA 1 20 PHE QD 3.600 . 5.500 2.396 1.829 3.018 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
409 1 20 PHE HA 1 20 PHE QE 3.850 . 6.000 4.307 4.143 4.494 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
410 1 24 PHE HA 1 24 PHE QD 3.500 . 5.300 2.869 1.995 3.209 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
411 1 27 PHE HA 1 27 PHE QD 3.530 . 5.360 2.293 1.979 2.753 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
412 1 74 PHE HA 1 74 PHE QD 3.500 . 5.300 2.423 1.898 3.111 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
413 1 77 PHE HA 1 77 PHE QD 3.850 . 6.000 2.278 1.869 3.002 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
414 1 5 TYR HA 1 5 TYR QD 3.080 . 4.460 2.814 2.424 3.035 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
415 1 5 TYR HA 1 5 TYR QE 3.850 . 6.000 4.444 4.316 4.551 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
416 1 5 TYR HB2 1 5 TYR QD 3.330 . 4.960 2.415 2.314 2.685 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
417 1 18 ASN H 1 18 ASN HD21 3.850 . 6.000 3.897 2.693 4.762 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
418 1 50 GLN HA 1 50 GLN HE22 3.620 . 5.540 5.125 4.370 5.572 0.032 9 0 "[ . 1 . 2 . 3 . 4]" 1
419 1 58 GLN HA 1 58 GLN HE22 3.480 . 5.260 3.401 2.775 4.127 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
420 1 58 GLN HA 1 58 GLN HE21 3.730 . 5.750 2.707 1.854 4.258 . 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 287
_Distance_constraint_stats_list.Viol_count 60
_Distance_constraint_stats_list.Viol_total 31.017
_Distance_constraint_stats_list.Viol_max 0.040
_Distance_constraint_stats_list.Viol_rms 0.0012
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0001
_Distance_constraint_stats_list.Viol_average_violations_only 0.0129
_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 2 ASP 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 3 ASP 0.068 0.027 5 0 "[ . 1 . 2 . 3 . 4]"
1 4 ILE 0.139 0.028 27 0 "[ . 1 . 2 . 3 . 4]"
1 5 TYR 0.071 0.028 27 0 "[ . 1 . 2 . 3 . 4]"
1 6 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 7 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 8 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 9 VAL 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 10 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 11 GLN 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 12 LEU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 13 THR 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 14 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 15 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 16 GLN 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 17 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 18 ASN 0.145 0.027 39 0 "[ . 1 . 2 . 3 . 4]"
1 19 GLU 0.145 0.027 39 0 "[ . 1 . 2 . 3 . 4]"
1 20 PHE 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 21 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 22 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 23 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 24 PHE 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 25 ASP 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 26 ILE 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 27 PHE 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 28 VAL 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 29 LEU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 30 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 31 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 32 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 33 ASP 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 34 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 35 CYS 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 36 ILE 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 37 SER 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 38 THR 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 39 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 40 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 41 LEU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 42 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 43 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 44 VAL 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 45 MET 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 46 ARG 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 47 MET 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 48 LEU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 49 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 50 GLN 0.117 0.040 17 0 "[ . 1 . 2 . 3 . 4]"
1 51 ASN 0.117 0.040 17 0 "[ . 1 . 2 . 3 . 4]"
1 52 PRO 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 53 THR 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 54 PRO 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 55 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 56 GLU 0.210 0.025 26 0 "[ . 1 . 2 . 3 . 4]"
1 57 LEU 0.210 0.025 26 0 "[ . 1 . 2 . 3 . 4]"
1 58 GLN 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 59 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 60 MET 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 61 ILE 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 62 ASP 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 63 GLU 0.007 0.007 37 0 "[ . 1 . 2 . 3 . 4]"
1 64 VAL 0.007 0.007 37 0 "[ . 1 . 2 . 3 . 4]"
1 65 ASP 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 66 GLU 0.035 0.018 2 0 "[ . 1 . 2 . 3 . 4]"
1 67 ASP 0.035 0.018 2 0 "[ . 1 . 2 . 3 . 4]"
1 68 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 69 SER 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 70 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 71 THR 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 72 VAL 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 73 ASP 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 74 PHE 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 75 ASP 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 76 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 77 PHE 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 78 LEU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 79 VAL 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 80 MET 0.122 0.040 21 0 "[ . 1 . 2 . 3 . 4]"
1 81 MET 0.122 0.040 21 0 "[ . 1 . 2 . 3 . 4]"
1 82 VAL 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 83 ARG 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 84 CYS 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 85 MET 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 86 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 87 ASP 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 2 ASP HA 1 3 ASP H 2.310 . 2.920 2.539 2.215 2.885 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
2 1 3 ASP H 1 4 ILE H 2.820 . 3.940 2.790 1.852 3.967 0.027 5 0 "[ . 1 . 2 . 3 . 4]" 2
3 1 3 ASP QB 1 4 ILE H 2.860 . 4.020 3.174 1.823 3.662 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
4 1 4 ILE QG 1 5 TYR H 3.060 . 4.410 3.343 1.857 3.953 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
5 1 4 ILE H 1 5 TYR H 2.750 . 3.790 2.774 1.831 3.818 0.028 27 0 "[ . 1 . 2 . 3 . 4]" 2
6 1 5 TYR H 1 6 LYS QB 3.700 . 5.700 4.320 3.780 4.987 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
7 1 5 TYR H 1 6 LYS H 2.530 . 3.360 2.633 2.290 3.034 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
8 1 4 ILE HA 1 5 TYR H 3.100 . 4.500 3.552 3.419 3.593 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
9 1 4 ILE MG 1 5 TYR H 3.550 . 5.400 3.373 2.420 4.100 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
10 1 4 ILE HB 1 5 TYR H 3.170 . 4.630 2.690 1.876 4.230 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
11 1 5 TYR H 1 6 LYS HA 3.810 . 5.920 5.278 4.991 5.607 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
12 1 5 TYR QD 1 6 LYS H 3.850 . 6.000 4.247 3.866 4.536 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
13 1 5 TYR HB3 1 6 LYS H 3.100 . 4.500 3.446 2.931 3.734 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
14 1 5 TYR HB2 1 6 LYS H 2.870 . 4.040 2.657 2.360 3.130 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
15 1 7 ALA H 1 8 ALA H 2.620 . 3.540 2.505 2.220 2.809 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
16 1 6 LYS QB 1 7 ALA H 3.040 . 4.380 2.908 2.286 3.665 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
17 1 6 LYS HA 1 7 ALA H 3.000 . 4.300 3.525 3.417 3.588 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
18 1 8 ALA H 1 9 VAL H 2.580 . 3.460 2.703 2.371 3.019 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
19 1 7 ALA MB 1 8 ALA H 2.830 . 3.960 2.672 2.245 3.083 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
20 1 8 ALA H 1 9 VAL HB 3.560 . 5.420 4.719 4.388 4.966 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
21 1 9 VAL H 1 10 GLU H 2.630 . 3.570 2.656 2.411 3.013 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
22 1 8 ALA MB 1 9 VAL H 2.920 . 4.130 2.526 2.100 2.932 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
23 1 10 GLU H 1 11 GLN H 2.610 . 3.520 2.525 2.394 2.830 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
24 1 9 VAL MG2 1 10 GLU H 3.390 . 5.080 3.876 3.672 4.111 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
25 1 9 VAL HA 1 10 GLU H 3.120 . 4.540 3.550 3.479 3.594 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
26 1 9 VAL MG1 1 10 GLU H 3.310 . 4.920 3.423 2.991 3.733 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
27 1 11 GLN H 1 12 LEU HB2 3.390 . 5.080 4.747 4.395 5.056 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
28 1 10 GLU HA 1 11 GLN H 2.770 . 3.830 3.482 3.305 3.562 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
29 1 11 GLN H 1 12 LEU HA 3.690 . 5.680 5.184 4.878 5.431 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
30 1 11 GLN H 1 12 LEU MD1 3.850 . 6.000 4.693 4.227 5.020 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
31 1 11 GLN QG 1 12 LEU H 3.750 . 5.800 4.539 3.989 4.811 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
32 1 12 LEU H 1 13 THR H 3.590 . 5.480 4.623 4.417 4.708 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
33 1 11 GLN HA 1 12 LEU H 2.760 . 3.820 3.471 3.288 3.559 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
34 1 11 GLN HB3 1 12 LEU H 3.190 . 4.680 3.467 2.964 4.141 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
35 1 11 GLN HB2 1 12 LEU H 2.980 . 4.260 3.312 2.785 3.743 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
36 1 12 LEU HG 1 13 THR H 3.850 . 6.000 4.918 4.521 5.208 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
37 1 12 LEU HB2 1 13 THR H 3.380 . 5.060 3.998 2.913 4.479 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
38 1 12 LEU MD2 1 13 THR H 3.690 . 5.670 3.419 2.944 4.022 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
39 1 12 LEU HA 1 13 THR H 2.660 . 3.620 2.342 2.208 2.814 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
40 1 13 THR H 1 14 GLU H 3.850 . 6.000 4.645 4.511 4.701 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
41 1 13 THR HB 1 14 GLU H 2.620 . 3.540 2.898 2.412 3.380 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
42 1 14 GLU H 1 15 GLU H 2.720 . 3.740 2.819 2.557 3.067 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
43 1 13 THR HA 1 14 GLU H 2.480 . 3.270 2.363 2.248 2.571 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
44 1 13 THR MG 1 14 GLU H 3.420 . 5.130 3.500 2.853 4.079 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
45 1 15 GLU H 1 16 GLN H 2.650 . 3.600 2.694 2.445 2.954 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
46 1 14 GLU HA 1 15 GLU H 3.140 . 4.580 3.561 3.454 3.595 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
47 1 16 GLN H 1 17 LYS H 2.500 . 3.290 2.805 2.534 3.179 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
48 1 15 GLU HA 1 16 GLN H 3.130 . 4.560 3.504 3.393 3.559 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
49 1 15 GLU HB2 1 16 GLN H 3.000 . 4.290 3.900 3.695 4.235 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
50 1 16 GLN H 1 17 LYS QD 3.850 . 6.000 4.494 3.572 5.332 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
51 1 16 GLN QB 1 17 LYS H 3.450 . 5.200 2.036 1.834 2.447 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
52 1 16 GLN QG 1 17 LYS H 2.740 . 3.780 3.110 2.450 3.458 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
53 1 16 GLN HA 1 17 LYS H 3.210 . 4.720 3.583 3.562 3.594 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
54 1 18 ASN H 1 19 GLU H 2.620 . 3.540 2.672 2.462 2.814 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
55 1 18 ASN H 1 19 GLU HA 3.550 . 5.400 5.338 5.181 5.427 0.027 39 0 "[ . 1 . 2 . 3 . 4]" 2
56 1 17 LYS QG 1 18 ASN H 3.850 . 6.000 3.701 1.841 4.631 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
57 1 17 LYS QB 1 18 ASN H 2.790 . 3.870 2.983 2.390 3.478 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
58 1 18 ASN HB2 1 19 GLU H 2.900 . 4.100 2.911 2.512 3.280 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
59 1 19 GLU H 1 20 PHE H 2.560 . 3.410 2.574 2.330 2.891 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
60 1 18 ASN HB3 1 19 GLU H 2.960 . 4.220 3.116 2.694 3.586 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
61 1 18 ASN HA 1 19 GLU H 3.080 . 4.460 3.556 3.479 3.590 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
62 1 19 GLU H 1 20 PHE QB 3.850 . 6.000 4.346 4.044 4.812 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
63 1 19 GLU HA 1 20 PHE H 3.080 . 4.460 3.551 3.465 3.585 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
64 1 20 PHE H 1 21 LYS H 2.670 . 3.650 2.624 2.391 2.812 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
65 1 19 GLU QB 1 20 PHE H 3.030 . 4.360 2.642 2.379 3.024 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
66 1 21 LYS H 1 22 ALA H 2.840 . 3.980 2.843 2.532 3.128 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
67 1 20 PHE QB 1 21 LYS H 3.420 . 5.130 2.722 2.581 2.926 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
68 1 20 PHE HA 1 21 LYS H 3.050 . 4.400 3.530 3.472 3.567 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
69 1 21 LYS QB 1 22 ALA H 2.910 . 4.120 2.320 1.983 2.740 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
70 1 22 ALA H 1 23 ALA H 2.640 . 3.580 2.868 2.638 3.192 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
71 1 23 ALA H 1 24 PHE HB2 3.560 . 5.410 5.108 4.650 5.396 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
72 1 22 ALA MB 1 23 ALA H 3.150 . 4.590 2.342 1.938 2.759 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
73 1 23 ALA H 1 24 PHE HB3 3.580 . 5.460 4.637 4.290 5.104 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
74 1 23 ALA H 1 24 PHE H 2.600 . 3.500 2.721 2.423 2.926 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
75 1 23 ALA MB 1 24 PHE H 2.730 . 3.770 2.520 2.247 2.762 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
76 1 24 PHE QD 1 25 ASP H 3.230 . 4.760 2.963 2.337 3.883 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
77 1 24 PHE HB3 1 25 ASP H 2.750 . 3.800 2.499 2.316 2.708 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
78 1 25 ASP H 1 26 ILE H 2.670 . 3.650 2.617 2.552 2.688 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
79 1 24 PHE HB2 1 25 ASP H 2.870 . 4.040 3.881 3.579 4.028 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
80 1 24 PHE HA 1 25 ASP H 3.150 . 4.590 3.575 3.550 3.592 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
81 1 25 ASP HA 1 26 ILE H 3.160 . 4.620 3.432 3.362 3.497 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
82 1 25 ASP HB3 1 26 ILE H 3.050 . 4.400 3.787 3.385 4.341 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
83 1 26 ILE H 1 27 PHE H 2.540 . 3.380 2.439 2.259 2.609 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
84 1 25 ASP HB2 1 26 ILE H 2.970 . 4.240 3.334 2.970 3.635 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
85 1 26 ILE QG 1 27 PHE H 3.290 . 4.880 4.003 3.738 4.187 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
86 1 26 ILE HB 1 27 PHE H 2.680 . 3.660 2.752 2.478 3.058 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
87 1 26 ILE MG 1 27 PHE H 3.190 . 4.670 3.593 3.283 3.867 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
88 1 26 ILE HA 1 27 PHE H 2.910 . 4.120 3.541 3.470 3.583 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
89 1 27 PHE HA 1 28 VAL H 3.140 . 4.580 3.499 3.371 3.561 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
90 1 27 PHE HB3 1 28 VAL H 3.020 . 4.340 4.048 3.825 4.291 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
91 1 28 VAL H 1 29 LEU H 2.650 . 3.600 2.650 2.419 3.021 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
92 1 27 PHE HB2 1 28 VAL H 2.860 . 4.020 2.885 2.508 3.345 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
93 1 28 VAL MG1 1 29 LEU H 3.850 . 6.000 4.118 3.840 4.344 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
94 1 28 VAL HB 1 29 LEU H 3.230 . 4.760 4.378 4.161 4.528 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
95 1 28 VAL HA 1 29 LEU H 2.900 . 4.090 3.222 2.961 3.423 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
96 1 28 VAL MG2 1 29 LEU H 3.480 . 5.260 2.901 2.366 3.408 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
97 1 29 LEU H 1 30 GLY H 3.440 . 5.180 3.474 2.612 4.396 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
98 1 29 LEU MD2 1 30 GLY H 3.850 . 6.000 4.317 3.264 5.015 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
99 1 29 LEU HA 1 30 GLY H 2.810 . 3.920 2.968 2.241 3.590 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
100 1 30 GLY H 1 31 ALA H 3.040 . 4.370 2.275 1.838 2.849 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
101 1 29 LEU QB 1 30 GLY H 3.770 . 5.830 3.312 2.221 4.079 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
102 1 30 GLY QA 1 31 ALA H 2.830 . 3.970 2.878 2.648 2.941 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
103 1 32 GLU H 1 33 ASP H 3.030 . 4.360 2.261 1.963 4.086 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
104 1 31 ALA MB 1 32 GLU H 3.480 . 5.260 2.453 2.018 3.725 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
105 1 31 ALA HA 1 32 GLU H 2.440 . 3.170 2.543 2.310 2.769 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
106 1 33 ASP H 1 34 GLY H 2.840 . 3.980 2.087 1.837 2.776 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
107 1 32 GLU QG 1 33 ASP H 3.710 . 5.720 3.323 1.873 4.314 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
108 1 32 GLU QB 1 33 ASP H 3.520 . 5.330 2.934 1.938 3.697 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
109 1 32 GLU HA 1 33 ASP H 2.850 . 4.000 3.517 3.395 3.589 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
110 1 34 GLY H 1 35 CYS H 2.830 . 3.970 2.377 1.864 2.995 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
111 1 33 ASP HB3 1 34 GLY H 3.850 . 6.000 4.247 3.741 4.652 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
112 1 33 ASP HB2 1 34 GLY H 3.850 . 6.000 4.155 3.749 4.495 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
113 1 33 ASP HA 1 34 GLY H 2.950 . 4.200 3.337 2.803 3.551 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
114 1 34 GLY QA 1 35 CYS H 2.390 . 3.080 2.661 2.319 2.778 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
115 1 35 CYS HA 1 36 ILE H 2.440 . 3.190 2.436 2.301 2.638 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
116 1 35 CYS HB3 1 36 ILE H 2.600 . 3.500 2.703 2.193 3.276 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
117 1 36 ILE HB 1 37 SER H 3.180 . 4.660 4.320 3.875 4.390 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
118 1 36 ILE HA 1 37 SER H 2.800 . 3.900 2.375 2.212 2.595 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
119 1 36 ILE MG 1 37 SER H 3.530 . 5.360 3.637 2.722 4.112 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
120 1 37 SER QB 1 38 THR H 3.110 . 4.520 2.899 2.072 3.763 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
121 1 38 THR H 1 39 LYS H 2.820 . 3.940 2.656 2.357 2.870 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
122 1 38 THR HA 1 39 LYS H 2.940 . 4.170 3.518 3.428 3.592 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
123 1 38 THR HB 1 39 LYS H 2.930 . 4.160 3.921 3.488 4.142 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
124 1 39 LYS H 1 40 GLU H 2.590 . 3.480 2.753 2.550 2.940 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
125 1 39 LYS QB 1 40 GLU H 3.150 . 4.590 2.698 2.401 3.463 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
126 1 40 GLU H 1 41 LEU QB 3.260 . 4.820 3.830 3.636 4.036 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
127 1 39 LYS HA 1 40 GLU H 3.120 . 4.540 3.546 3.505 3.574 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
128 1 41 LEU H 1 42 GLY H 3.210 . 4.710 2.487 1.894 3.249 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
129 1 42 GLY H 1 43 LYS H 2.910 . 4.120 3.036 2.777 3.276 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
130 1 41 LEU QB 1 42 GLY H 3.670 . 5.630 2.472 1.900 2.964 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
131 1 42 GLY QA 1 43 LYS H 2.640 . 3.580 2.560 2.400 2.710 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
132 1 43 LYS H 1 44 VAL MG2 3.850 . 6.000 4.030 3.714 4.490 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
133 1 44 VAL H 1 45 MET H 2.500 . 3.310 2.700 2.473 2.942 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
134 1 43 LYS HA 1 44 VAL H 2.830 . 3.950 3.521 3.456 3.578 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
135 1 44 VAL HA 1 45 MET H 3.050 . 4.400 3.579 3.535 3.594 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
136 1 45 MET H 1 46 ARG H 2.630 . 3.570 2.718 2.450 2.998 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
137 1 44 VAL HB 1 45 MET H 2.500 . 3.300 2.358 1.948 2.651 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
138 1 44 VAL MG2 1 45 MET H 3.170 . 4.630 3.769 3.443 3.881 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
139 1 46 ARG H 1 47 MET QB 3.790 . 5.880 4.618 4.184 5.149 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
140 1 45 MET HA 1 46 ARG H 3.110 . 4.520 3.517 3.404 3.590 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
141 1 45 MET QB 1 46 ARG H 2.710 . 3.730 2.774 2.342 3.121 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
142 1 46 ARG H 1 47 MET H 2.570 . 3.440 2.660 2.465 3.023 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
143 1 46 ARG HA 1 47 MET H 3.020 . 4.330 3.570 3.512 3.595 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
144 1 46 ARG QB 1 47 MET H 3.330 . 4.960 2.534 2.265 2.841 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
145 1 47 MET H 1 48 LEU H 2.600 . 3.500 2.636 2.365 2.992 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
146 1 47 MET QB 1 48 LEU H 2.980 . 4.260 2.883 1.947 3.591 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
147 1 47 MET HA 1 48 LEU H 3.210 . 4.710 3.564 3.480 3.593 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
148 1 48 LEU H 1 49 GLY H 2.690 . 3.680 2.843 2.508 3.318 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
149 1 49 GLY H 1 50 GLN QG 3.720 . 5.740 3.969 2.909 5.088 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
150 1 49 GLY H 1 50 GLN H 2.580 . 3.470 1.891 1.803 2.045 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
151 1 48 LEU QB 1 49 GLY H 3.280 . 4.860 2.556 1.879 3.036 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
152 1 49 GLY QA 1 50 GLN H 2.670 . 3.630 2.850 2.734 2.943 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
153 1 50 GLN HB2 1 51 ASN H 2.730 . 3.750 3.644 3.415 3.790 0.040 17 0 "[ . 1 . 2 . 3 . 4]" 2
154 1 50 GLN HA 1 51 ASN H 2.360 . 3.030 2.505 2.377 2.626 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
155 1 50 GLN HB3 1 51 ASN H 2.420 . 3.150 2.476 2.190 2.856 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
156 1 51 ASN H 1 52 PRO QD 2.850 . 4.000 2.461 2.134 2.918 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
157 1 53 THR H 1 54 PRO QD 3.560 . 5.420 4.351 4.284 4.397 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
158 1 52 PRO QB 1 53 THR H 2.750 . 3.790 2.664 2.054 3.172 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
159 1 55 GLU H 1 56 GLU H 2.640 . 3.580 2.530 2.373 2.753 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
160 1 54 PRO QD 1 55 GLU H 3.000 . 4.300 2.533 2.428 2.651 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
161 1 54 PRO HA 1 55 GLU H 3.240 . 4.780 3.545 3.471 3.595 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
162 1 56 GLU H 1 57 LEU QB 3.810 . 5.910 4.082 3.832 4.467 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
163 1 56 GLU H 1 57 LEU H 2.930 . 4.160 2.519 2.313 2.870 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
164 1 55 GLU QB 1 56 GLU H 3.060 . 4.420 2.738 2.318 3.515 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
165 1 57 LEU H 1 58 GLN H 3.000 . 4.300 3.256 2.970 3.512 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
166 1 56 GLU HB3 1 57 LEU H 3.500 . 5.300 3.330 2.426 3.823 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
167 1 57 LEU QB 1 58 GLN H 2.750 . 3.790 2.068 1.830 2.545 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
168 1 58 GLN H 1 59 GLU H 2.590 . 3.480 2.818 2.426 3.237 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
169 1 57 LEU MD2 1 58 GLN H 3.540 . 5.370 3.897 3.049 4.475 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
170 1 58 GLN HA 1 59 GLU H 3.290 . 4.880 3.552 3.425 3.596 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
171 1 60 MET H 1 61 ILE MD 3.850 . 6.000 4.693 3.288 4.996 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
172 1 60 MET H 1 61 ILE H 3.760 . 5.820 2.734 2.445 3.292 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
173 1 61 ILE MG 1 62 ASP H 3.660 . 5.620 3.427 2.822 4.154 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
174 1 61 ILE HA 1 62 ASP H 3.120 . 4.540 3.501 3.313 3.596 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
175 1 61 ILE HB 1 62 ASP H 2.650 . 3.600 2.809 2.077 3.482 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
176 1 62 ASP HA 1 63 GLU H 3.100 . 4.500 3.377 3.131 3.543 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
177 1 62 ASP QB 1 63 GLU H 3.040 . 4.380 3.185 2.670 3.954 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
178 1 63 GLU H 1 64 VAL H 2.650 . 3.600 2.199 1.829 2.649 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
179 1 63 GLU H 1 64 VAL MG1 3.700 . 5.700 3.699 3.185 4.749 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
180 1 63 GLU H 1 64 VAL HB 3.270 . 4.840 4.372 3.664 4.847 0.007 37 0 "[ . 1 . 2 . 3 . 4]" 2
181 1 64 VAL MG1 1 65 ASP H 2.920 . 4.130 2.155 1.829 2.590 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
182 1 64 VAL HA 1 65 ASP H 2.830 . 3.950 3.473 3.334 3.566 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
183 1 66 GLU H 1 67 ASP H 2.700 . 3.700 2.445 1.883 3.063 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
184 1 66 GLU H 1 67 ASP HA 3.540 . 5.380 5.026 4.614 5.398 0.018 2 0 "[ . 1 . 2 . 3 . 4]" 2
185 1 65 ASP HA 1 66 GLU H 2.750 . 3.800 2.285 2.212 2.545 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
186 1 66 GLU QG 1 67 ASP H 3.850 . 6.000 3.934 2.045 4.634 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
187 1 67 ASP H 1 68 GLY QA 3.400 . 5.090 4.196 3.621 4.548 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
188 1 67 ASP H 1 68 GLY H 2.560 . 3.430 2.275 1.867 2.666 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
189 1 66 GLU HA 1 67 ASP H 2.880 . 4.050 3.365 2.833 3.594 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
190 1 68 GLY H 1 69 SER H 2.750 . 3.800 2.635 2.007 2.999 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
191 1 67 ASP HA 1 68 GLY H 2.960 . 4.210 3.404 3.165 3.580 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
192 1 67 ASP QB 1 68 GLY H 3.700 . 5.700 3.563 2.643 3.954 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
193 1 69 SER H 1 70 GLY QA 3.730 . 5.760 4.328 4.005 4.704 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
194 1 68 GLY QA 1 69 SER H 2.700 . 3.700 2.801 2.629 2.939 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
195 1 69 SER H 1 70 GLY H 2.900 . 4.090 2.391 2.060 2.888 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
196 1 70 GLY H 1 71 THR H 2.750 . 3.810 2.531 2.022 3.224 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
197 1 70 GLY H 1 71 THR MG 3.850 . 6.000 4.613 3.852 4.997 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
198 1 70 GLY QA 1 71 THR H 2.710 . 3.710 2.870 2.696 2.941 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
199 1 71 THR HA 1 72 VAL H 2.310 . 2.930 2.395 2.243 2.633 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
200 1 72 VAL MG1 1 73 ASP H 3.580 . 5.460 3.051 2.199 3.405 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
201 1 72 VAL HA 1 73 ASP H 2.640 . 3.580 2.232 2.206 2.350 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
202 1 72 VAL MG2 1 73 ASP H 3.850 . 6.000 4.330 4.135 4.395 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
203 1 73 ASP QB 1 74 PHE H 2.910 . 4.120 2.687 1.845 3.399 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
204 1 73 ASP HA 1 74 PHE H 2.830 . 3.960 2.617 2.404 3.522 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
205 1 74 PHE H 1 75 ASP H 2.990 . 4.280 2.797 2.016 3.189 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
206 1 75 ASP H 1 76 GLU H 2.690 . 3.670 2.769 2.413 3.205 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
207 1 74 PHE HA 1 75 ASP H 3.100 . 4.500 3.543 3.446 3.593 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
208 1 74 PHE HB2 1 75 ASP H 2.950 . 4.200 3.694 3.280 4.091 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
209 1 74 PHE QD 1 75 ASP H 3.560 . 5.420 4.074 2.629 4.571 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
210 1 75 ASP QB 1 76 GLU H 3.240 . 4.780 2.390 1.905 3.411 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
211 1 76 GLU H 1 77 PHE H 2.710 . 3.710 2.552 2.333 2.902 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
212 1 77 PHE H 1 78 LEU H 2.620 . 3.540 2.920 2.683 3.192 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
213 1 76 GLU QG 1 77 PHE H 3.170 . 4.630 3.992 3.753 4.147 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
214 1 77 PHE HB2 1 78 LEU H 2.870 . 4.040 3.801 3.457 3.946 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
215 1 77 PHE HB3 1 78 LEU H 2.610 . 3.530 2.479 1.924 2.709 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
216 1 77 PHE HA 1 78 LEU H 3.000 . 4.290 3.570 3.540 3.596 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
217 1 79 VAL H 1 80 MET H 2.520 . 3.340 2.871 2.557 3.086 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
218 1 78 LEU H 1 79 VAL H 2.690 . 3.680 2.741 2.521 3.193 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
219 1 78 LEU HA 1 79 VAL H 3.050 . 4.400 3.586 3.524 3.601 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
220 1 78 LEU HB2 1 79 VAL H 2.950 . 4.200 2.605 2.282 3.064 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
221 1 79 VAL MG1 1 80 MET H 3.540 . 5.370 3.450 2.883 3.868 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
222 1 79 VAL HA 1 80 MET H 2.790 . 3.880 3.558 3.505 3.599 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
223 1 80 MET H 1 81 MET H 2.600 . 3.500 2.713 2.488 2.938 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
224 1 79 VAL MG2 1 80 MET H 3.420 . 5.140 3.785 3.604 3.960 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
225 1 80 MET H 1 81 MET HB2 3.150 . 4.590 4.454 4.155 4.630 0.040 21 0 "[ . 1 . 2 . 3 . 4]" 2
226 1 80 MET QB 1 81 MET H 2.960 . 4.210 2.739 2.359 3.508 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
227 1 80 MET HA 1 81 MET H 3.010 . 4.320 3.557 3.513 3.591 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
228 1 81 MET H 1 82 VAL H 2.600 . 3.500 2.815 2.446 3.056 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
229 1 81 MET HA 1 82 VAL H 3.110 . 4.520 3.586 3.551 3.597 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
230 1 81 MET HB2 1 82 VAL H 2.790 . 3.870 2.575 2.140 3.154 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
231 1 83 ARG QG 1 84 CYS H 3.310 . 4.920 4.232 4.030 4.429 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
232 1 83 ARG HB2 1 84 CYS H 2.850 . 4.000 2.668 2.305 3.154 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
233 1 83 ARG HB3 1 84 CYS H 2.810 . 3.920 3.100 2.255 3.708 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
234 1 83 ARG HA 1 84 CYS H 2.810 . 3.930 3.561 3.463 3.594 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
235 1 84 CYS QB 1 85 MET H 3.190 . 4.670 3.034 2.190 4.067 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
236 1 85 MET QB 1 86 LYS H 3.420 . 5.140 2.803 1.850 4.076 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
237 1 86 LYS H 1 87 ASP H 3.340 . 4.980 3.706 1.877 4.692 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
238 1 22 ALA HA 1 23 ALA H 2.860 . 4.020 3.581 3.532 3.594 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
239 1 31 ALA MB 1 32 GLU QB 3.850 . 6.000 4.236 3.680 4.492 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
240 1 31 ALA MB 1 32 GLU QG 3.850 . 6.000 3.960 3.345 4.449 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
241 1 84 CYS HA 1 85 MET H 3.030 . 4.360 3.386 2.454 3.597 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
242 1 3 ASP HA 1 4 ILE H 2.730 . 3.770 3.084 2.203 3.591 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
243 1 61 ILE MG 1 62 ASP HA 3.390 . 5.080 3.508 3.154 4.229 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
244 1 10 GLU QB 1 11 GLN H 3.380 . 5.060 2.930 2.553 3.374 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
245 1 55 GLU HA 1 56 GLU H 3.430 . 5.160 3.530 3.441 3.590 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
246 1 56 GLU HB2 1 57 LEU H 2.340 . 2.980 2.933 2.755 3.005 0.025 26 0 "[ . 1 . 2 . 3 . 4]" 2
247 1 59 GLU QB 1 60 MET H 3.020 . 4.340 2.414 1.966 2.971 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
248 1 66 GLU QB 1 67 ASP H 3.750 . 5.800 3.233 2.099 3.902 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
249 1 26 ILE MG 1 27 PHE HA 3.700 . 5.700 3.636 3.347 4.107 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
250 1 4 ILE MD 1 5 TYR H 3.850 . 6.000 3.915 2.967 4.381 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
251 1 86 LYS HA 1 87 ASP H 2.840 . 3.980 2.798 2.212 3.586 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
252 1 12 LEU HB3 1 13 THR H 2.890 . 4.080 3.042 2.012 3.839 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
253 1 40 GLU H 1 41 LEU HA 3.480 . 5.260 4.873 4.625 5.065 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
254 1 57 LEU HA 1 58 GLN H 3.770 . 5.830 3.576 3.529 3.594 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
255 1 78 LEU HB3 1 79 VAL H 3.040 . 4.370 2.970 2.543 3.381 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
256 1 44 VAL MG1 1 45 MET HA 3.830 . 5.950 3.512 3.039 4.002 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
257 1 44 VAL MG1 1 45 MET ME 3.850 . 6.000 3.720 3.102 4.165 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
258 1 47 MET ME 1 48 LEU MD2 3.850 . 6.000 3.654 2.045 4.167 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
259 1 79 VAL MG1 1 80 MET HA 3.850 . 6.000 3.602 3.222 4.047 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
260 1 80 MET ME 1 81 MET H 3.850 . 6.000 4.373 3.345 4.993 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
261 1 51 ASN HA 1 52 PRO QD 2.560 . 3.420 2.262 2.099 2.385 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
262 1 51 ASN QB 1 52 PRO QD 3.490 . 5.280 3.783 3.732 3.807 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
263 1 54 PRO QB 1 55 GLU H 3.190 . 4.670 3.137 2.713 3.424 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
264 1 53 THR HA 1 54 PRO QD 2.780 . 3.860 2.218 2.138 2.306 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
265 1 53 THR HB 1 54 PRO QD 2.800 . 3.900 1.912 1.798 2.245 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
266 1 53 THR MG 1 54 PRO QD 3.810 . 5.920 2.351 1.777 3.354 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
267 1 58 GLN QB 1 59 GLU H 3.790 . 5.880 2.469 1.924 3.105 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
268 1 58 GLN QG 1 59 GLU HA 3.680 . 5.660 4.285 3.218 5.091 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
269 1 82 VAL MG1 1 83 ARG HA 3.460 . 5.210 3.424 2.956 3.801 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
270 1 13 THR HA 1 14 GLU QB 3.850 . 6.000 4.228 4.024 4.501 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
271 1 12 LEU HA 1 13 THR MG 3.720 . 5.740 4.051 3.236 4.738 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
272 1 44 VAL MG1 1 45 MET H 3.150 . 4.600 3.192 2.610 3.620 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
273 1 64 VAL MG1 1 65 ASP QB 3.650 . 5.590 3.153 2.799 3.709 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
274 1 71 THR HA 1 72 VAL MG2 3.850 . 6.000 3.121 2.950 3.425 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
275 1 79 VAL HB 1 80 MET H 2.580 . 3.460 2.538 2.138 2.881 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
276 1 79 VAL MG1 1 80 MET QG 3.850 . 6.000 4.379 4.063 4.472 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
277 1 9 VAL HB 1 10 GLU H 2.670 . 3.640 2.613 2.138 2.991 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
278 1 9 VAL MG1 1 10 GLU HA 3.070 . 4.440 3.552 3.243 3.712 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
279 1 5 TYR HA 1 6 LYS H 3.100 . 4.500 3.559 3.475 3.595 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
280 1 24 PHE QD 1 25 ASP HA 3.850 . 6.000 3.071 2.490 4.329 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
281 1 4 ILE MD 1 5 TYR QD 3.850 . 6.000 3.646 1.963 4.412 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
282 1 4 ILE MD 1 5 TYR QE 3.850 . 6.000 3.559 1.796 4.354 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
283 1 4 ILE QG 1 5 TYR QD 3.850 . 6.000 3.933 1.866 4.768 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
284 1 4 ILE MG 1 5 TYR QD 3.850 . 6.000 3.734 2.379 4.448 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
285 1 4 ILE MG 1 5 TYR QE 3.850 . 6.000 4.011 3.182 4.460 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
286 1 77 PHE QD 1 78 LEU MD2 3.850 . 6.000 3.970 3.076 4.452 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
287 1 10 GLU QB 1 11 GLN HE22 3.850 . 6.000 4.594 2.604 5.349 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
stop_
save_
save_distance_constraint_statistics_3
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 3
_Distance_constraint_stats_list.Constraint_count 296
_Distance_constraint_stats_list.Viol_count 220
_Distance_constraint_stats_list.Viol_total 122.609
_Distance_constraint_stats_list.Viol_max 0.058
_Distance_constraint_stats_list.Viol_rms 0.0023
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0003
_Distance_constraint_stats_list.Viol_average_violations_only 0.0139
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 3 ASP 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 4 ILE 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 5 TYR 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 6 LYS 0.076 0.023 35 0 "[ . 1 . 2 . 3 . 4]"
1 7 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 8 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 9 VAL 0.085 0.023 35 0 "[ . 1 . 2 . 3 . 4]"
1 10 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 11 GLN 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 12 LEU 0.010 0.009 26 0 "[ . 1 . 2 . 3 . 4]"
1 13 THR 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 14 GLU 0.086 0.019 30 0 "[ . 1 . 2 . 3 . 4]"
1 15 GLU 0.040 0.016 10 0 "[ . 1 . 2 . 3 . 4]"
1 16 GLN 0.054 0.021 11 0 "[ . 1 . 2 . 3 . 4]"
1 17 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 18 ASN 0.255 0.026 20 0 "[ . 1 . 2 . 3 . 4]"
1 19 GLU 0.045 0.010 40 0 "[ . 1 . 2 . 3 . 4]"
1 20 PHE 0.057 0.021 11 0 "[ . 1 . 2 . 3 . 4]"
1 21 LYS 0.252 0.030 15 0 "[ . 1 . 2 . 3 . 4]"
1 22 ALA 0.484 0.036 9 0 "[ . 1 . 2 . 3 . 4]"
1 23 ALA 0.317 0.036 20 0 "[ . 1 . 2 . 3 . 4]"
1 24 PHE 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 25 ASP 0.644 0.036 9 0 "[ . 1 . 2 . 3 . 4]"
1 26 ILE 0.303 0.036 20 0 "[ . 1 . 2 . 3 . 4]"
1 27 PHE 0.013 0.013 20 0 "[ . 1 . 2 . 3 . 4]"
1 28 VAL 0.057 0.015 13 0 "[ . 1 . 2 . 3 . 4]"
1 29 LEU 0.020 0.020 11 0 "[ . 1 . 2 . 3 . 4]"
1 31 ALA 0.029 0.017 27 0 "[ . 1 . 2 . 3 . 4]"
1 32 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 33 ASP 0.029 0.017 27 0 "[ . 1 . 2 . 3 . 4]"
1 34 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 35 CYS 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 36 ILE 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 37 SER 0.181 0.029 34 0 "[ . 1 . 2 . 3 . 4]"
1 38 THR 0.008 0.008 28 0 "[ . 1 . 2 . 3 . 4]"
1 40 GLU 0.189 0.029 34 0 "[ . 1 . 2 . 3 . 4]"
1 41 LEU 0.046 0.027 4 0 "[ . 1 . 2 . 3 . 4]"
1 42 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 43 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 44 VAL 0.120 0.058 2 0 "[ . 1 . 2 . 3 . 4]"
1 45 MET 0.139 0.029 29 0 "[ . 1 . 2 . 3 . 4]"
1 46 ARG 0.014 0.014 35 0 "[ . 1 . 2 . 3 . 4]"
1 47 MET 0.093 0.029 29 0 "[ . 1 . 2 . 3 . 4]"
1 48 LEU 0.120 0.058 2 0 "[ . 1 . 2 . 3 . 4]"
1 49 GLY 0.014 0.014 35 0 "[ . 1 . 2 . 3 . 4]"
1 50 GLN 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 51 ASN 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 52 PRO 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 53 THR 0.131 0.035 8 0 "[ . 1 . 2 . 3 . 4]"
1 54 PRO 0.004 0.003 39 0 "[ . 1 . 2 . 3 . 4]"
1 55 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 56 GLU 0.131 0.035 8 0 "[ . 1 . 2 . 3 . 4]"
1 57 LEU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 58 GLN 0.032 0.023 14 0 "[ . 1 . 2 . 3 . 4]"
1 59 GLU 0.007 0.007 4 0 "[ . 1 . 2 . 3 . 4]"
1 60 MET 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 61 ILE 0.037 0.017 10 0 "[ . 1 . 2 . 3 . 4]"
1 62 ASP 0.034 0.023 14 0 "[ . 1 . 2 . 3 . 4]"
1 63 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 64 VAL 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 65 ASP 0.037 0.017 10 0 "[ . 1 . 2 . 3 . 4]"
1 66 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 67 ASP 0.011 0.011 25 0 "[ . 1 . 2 . 3 . 4]"
1 68 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 69 SER 0.011 0.011 25 0 "[ . 1 . 2 . 3 . 4]"
1 72 VAL 0.754 0.056 29 0 "[ . 1 . 2 . 3 . 4]"
1 73 ASP 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 74 PHE 0.078 0.019 35 0 "[ . 1 . 2 . 3 . 4]"
1 75 ASP 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 76 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 77 PHE 0.831 0.056 29 0 "[ . 1 . 2 . 3 . 4]"
1 78 LEU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 79 VAL 0.005 0.005 25 0 "[ . 1 . 2 . 3 . 4]"
1 80 MET 0.099 0.029 37 0 "[ . 1 . 2 . 3 . 4]"
1 81 MET 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 82 VAL 0.027 0.021 35 0 "[ . 1 . 2 . 3 . 4]"
1 83 ARG 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 84 CYS 0.099 0.029 37 0 "[ . 1 . 2 . 3 . 4]"
1 85 MET 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 86 LYS 0.021 0.021 35 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 ILE H 1 6 LYS H 3.600 . 5.500 3.910 2.665 4.611 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
2 1 5 TYR HA 1 7 ALA H 3.310 . 4.910 3.998 3.548 4.607 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
3 1 4 ILE HA 1 7 ALA H 3.230 . 4.760 3.916 3.574 4.195 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
4 1 5 TYR HA 1 8 ALA H 2.960 . 4.210 3.182 2.924 3.571 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
5 1 6 LYS HA 1 8 ALA H 3.700 . 5.700 4.403 3.770 4.976 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
6 1 8 ALA H 1 10 GLU H 3.410 . 5.120 4.178 3.710 4.744 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
7 1 4 ILE HA 1 8 ALA H 3.710 . 5.720 4.968 4.052 5.509 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
8 1 9 VAL H 1 11 GLN H 3.380 . 5.050 3.966 3.713 4.311 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
9 1 6 LYS HA 1 9 VAL H 2.810 . 3.910 3.781 3.254 3.933 0.023 35 0 "[ . 1 . 2 . 3 . 4]" 3
10 1 5 TYR HA 1 9 VAL H 3.350 . 5.000 4.423 3.957 4.845 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
11 1 7 ALA MB 1 10 GLU H 3.850 . 6.000 4.619 4.291 4.957 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
12 1 8 ALA MB 1 10 GLU H 3.850 . 6.000 4.476 4.094 4.855 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
13 1 9 VAL HA 1 11 GLN H 3.120 . 4.540 4.113 3.519 4.530 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
14 1 9 VAL HA 1 12 LEU H 2.850 . 4.000 3.885 3.664 4.009 0.009 26 0 "[ . 1 . 2 . 3 . 4]" 3
15 1 10 GLU HA 1 12 LEU H 3.020 . 4.330 3.776 3.517 4.211 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
16 1 10 GLU H 1 12 LEU H 3.420 . 5.130 4.207 3.959 4.537 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
17 1 13 THR H 1 16 GLN HA 3.850 . 6.000 5.544 4.759 5.977 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
18 1 13 THR H 1 16 GLN QB 3.850 . 6.000 2.800 2.060 3.891 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
19 1 13 THR H 1 16 GLN QG 3.660 . 5.620 3.691 1.899 4.811 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
20 1 13 THR H 1 16 GLN H 3.500 . 5.300 4.066 3.364 4.619 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
21 1 13 THR H 1 17 LYS H 3.500 . 5.300 4.615 3.853 5.287 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
22 1 14 GLU H 1 16 GLN H 3.330 . 4.950 4.116 3.879 4.489 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
23 1 13 THR MG 1 15 GLU H 3.810 . 5.920 4.300 3.428 4.937 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
24 1 13 THR HB 1 15 GLU H 2.830 . 3.960 2.855 2.247 3.423 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
25 1 13 THR HA 1 15 GLU H 3.360 . 5.020 4.366 3.990 4.822 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
26 1 13 THR HA 1 16 GLN H 3.330 . 4.960 4.568 4.352 4.869 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
27 1 13 THR HB 1 16 GLN H 3.020 . 4.340 3.302 2.587 3.931 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
28 1 12 LEU MD1 1 17 LYS H 3.850 . 6.000 4.457 3.836 4.997 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
29 1 16 GLN H 1 18 ASN H 3.790 . 5.880 3.686 3.505 4.128 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
30 1 16 GLN HA 1 18 ASN H 3.500 . 5.290 4.164 3.748 4.631 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
31 1 15 GLU HA 1 18 ASN H 3.010 . 4.320 3.831 3.360 4.210 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
32 1 19 GLU H 1 21 LYS H 3.660 . 5.620 4.033 3.740 4.310 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
33 1 16 GLN HA 1 19 GLU H 3.080 . 4.460 3.626 3.244 4.015 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
34 1 15 GLU HA 1 19 GLU H 3.450 . 5.200 4.450 3.839 4.948 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
35 1 17 LYS HA 1 19 GLU H 3.290 . 4.880 4.327 3.808 4.787 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
36 1 16 GLN HA 1 20 PHE H 3.320 . 4.940 4.582 3.970 4.961 0.021 11 0 "[ . 1 . 2 . 3 . 4]" 3
37 1 18 ASN HA 1 20 PHE H 3.240 . 4.780 4.506 4.125 4.784 0.004 31 0 "[ . 1 . 2 . 3 . 4]" 3
38 1 17 LYS HA 1 20 PHE H 3.060 . 4.410 3.413 3.071 3.645 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
39 1 18 ASN HA 1 21 LYS H 3.020 . 4.330 3.665 3.237 4.153 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
40 1 21 LYS H 1 23 ALA H 3.290 . 4.880 4.426 3.980 4.867 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
41 1 19 GLU HA 1 21 LYS H 3.010 . 4.320 4.189 3.871 4.330 0.010 40 0 "[ . 1 . 2 . 3 . 4]" 3
42 1 18 ASN HA 1 22 ALA H 3.390 . 5.080 4.947 4.567 5.106 0.026 20 0 "[ . 1 . 2 . 3 . 4]" 3
43 1 22 ALA H 1 24 PHE H 3.850 . 6.000 4.130 3.853 4.416 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
44 1 20 PHE H 1 22 ALA H 3.660 . 5.620 4.540 4.179 4.913 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
45 1 23 ALA H 1 26 ILE H 3.370 . 5.040 5.020 4.877 5.076 0.036 20 0 "[ . 1 . 2 . 3 . 4]" 3
46 1 20 PHE HA 1 23 ALA H 3.020 . 4.340 3.577 3.123 4.227 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
47 1 22 ALA MB 1 24 PHE H 3.850 . 6.000 4.374 4.137 4.654 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
48 1 24 PHE H 1 26 ILE QG 3.450 . 5.200 4.461 4.098 4.648 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
49 1 24 PHE H 1 27 PHE QD 3.310 . 4.920 4.326 4.057 4.421 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
50 1 21 LYS HA 1 24 PHE H 2.870 . 4.040 3.623 3.211 4.010 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
51 1 24 PHE H 1 27 PHE QE 3.180 . 4.660 3.522 2.956 4.083 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
52 1 22 ALA HA 1 24 PHE H 3.520 . 5.340 4.523 4.222 4.937 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
53 1 21 LYS QG 1 25 ASP H 3.600 . 5.500 4.644 4.093 4.913 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
54 1 22 ALA HA 1 25 ASP H 2.770 . 3.840 3.817 3.609 3.876 0.036 9 0 "[ . 1 . 2 . 3 . 4]" 3
55 1 23 ALA MB 1 25 ASP H 3.750 . 5.790 4.552 4.320 4.798 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
56 1 21 LYS HA 1 25 ASP H 3.130 . 4.560 4.489 4.217 4.590 0.030 15 0 "[ . 1 . 2 . 3 . 4]" 3
57 1 23 ALA H 1 25 ASP H 3.410 . 5.120 4.412 4.112 4.748 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
58 1 25 ASP H 1 27 PHE H 3.570 . 5.440 4.417 4.155 4.674 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
59 1 25 ASP H 1 28 VAL MG2 3.850 . 6.000 4.091 3.864 4.375 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
60 1 22 ALA MB 1 25 ASP H 3.850 . 6.000 4.795 4.599 4.928 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
61 1 23 ALA HA 1 26 ILE H 2.880 . 4.050 3.271 3.100 3.406 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
62 1 24 PHE HA 1 27 PHE H 2.960 . 4.220 3.637 3.377 3.804 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
63 1 23 ALA HA 1 27 PHE H 3.330 . 4.950 4.746 4.514 4.963 0.013 20 0 "[ . 1 . 2 . 3 . 4]" 3
64 1 25 ASP HA 1 28 VAL H 3.080 . 4.460 3.538 3.324 3.713 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
65 1 26 ILE HA 1 28 VAL H 3.180 . 4.660 4.248 3.806 4.620 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
66 1 26 ILE HA 1 29 LEU H 3.240 . 4.780 4.028 3.578 4.541 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
67 1 27 PHE HA 1 29 LEU H 3.560 . 5.420 3.604 3.431 3.861 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
68 1 25 ASP HA 1 29 LEU H 3.670 . 5.640 5.243 4.267 5.660 0.020 11 0 "[ . 1 . 2 . 3 . 4]" 3
69 1 29 LEU H 1 31 ALA H 3.800 . 5.900 4.199 3.721 4.828 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
70 1 28 VAL MG1 1 31 ALA H 3.740 . 5.780 4.713 4.190 4.844 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
71 1 28 VAL HB 1 31 ALA H 3.310 . 4.920 3.746 3.321 4.359 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
72 1 28 VAL MG2 1 31 ALA H 3.790 . 5.880 4.205 3.536 4.546 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
73 1 31 ALA MB 1 33 ASP H 3.210 . 4.720 2.855 2.409 3.807 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
74 1 31 ALA HA 1 33 ASP H 3.280 . 4.860 4.398 3.816 4.877 0.017 27 0 "[ . 1 . 2 . 3 . 4]" 3
75 1 33 ASP H 1 35 CYS H 3.420 . 5.140 3.498 2.834 4.719 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
76 1 31 ALA MB 1 34 GLY H 3.110 . 4.520 2.241 1.844 2.769 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
77 1 32 GLU QB 1 34 GLY H 3.850 . 6.000 4.639 3.488 5.352 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
78 1 32 GLU HA 1 34 GLY H 3.430 . 5.160 4.559 4.069 5.152 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
79 1 31 ALA MB 1 35 CYS H 2.870 . 4.040 2.034 1.739 2.689 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
80 1 37 SER H 1 40 GLU QB 3.140 . 4.580 3.705 3.081 4.076 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
81 1 36 ILE MG 1 40 GLU H 3.770 . 5.840 4.596 4.073 4.873 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
82 1 37 SER H 1 40 GLU H 3.100 . 4.500 4.410 4.046 4.529 0.029 34 0 "[ . 1 . 2 . 3 . 4]" 3
83 1 38 THR HA 1 40 GLU H 3.000 . 4.300 4.046 3.774 4.308 0.008 28 0 "[ . 1 . 2 . 3 . 4]" 3
84 1 38 THR H 1 40 GLU H 3.330 . 4.960 4.353 3.912 4.626 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
85 1 36 ILE MG 1 41 LEU H 3.850 . 6.000 4.479 3.430 5.005 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
86 1 38 THR HA 1 41 LEU H 2.910 . 4.120 3.464 2.813 4.085 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
87 1 42 GLY H 1 44 VAL HB 3.850 . 6.000 4.676 4.252 5.352 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
88 1 43 LYS H 1 45 MET H 3.520 . 5.330 4.523 3.969 4.966 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
89 1 40 GLU HA 1 43 LYS H 3.230 . 4.750 3.996 3.267 4.741 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
90 1 41 LEU H 1 43 LYS H 3.590 . 5.480 4.330 3.726 5.150 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
91 1 41 LEU HA 1 44 VAL H 3.040 . 4.380 3.355 3.007 3.776 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
92 1 41 LEU MD2 1 44 VAL H 3.850 . 6.000 4.143 3.401 5.003 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
93 1 42 GLY QA 1 45 MET H 2.900 . 4.090 3.534 3.267 3.663 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
94 1 45 MET H 1 47 MET H 3.140 . 4.580 4.444 4.182 4.609 0.029 29 0 "[ . 1 . 2 . 3 . 4]" 3
95 1 41 LEU MD2 1 45 MET H 3.820 . 5.940 3.388 2.749 4.007 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
96 1 43 LYS HA 1 46 ARG H 2.960 . 4.210 3.584 3.177 3.936 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
97 1 44 VAL HA 1 47 MET H 3.040 . 4.370 3.525 3.170 4.150 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
98 1 45 MET HA 1 48 LEU H 2.960 . 4.220 3.656 3.194 4.066 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
99 1 45 MET HA 1 49 GLY H 3.810 . 5.910 4.096 3.379 4.494 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
100 1 46 ARG HA 1 49 GLY H 3.140 . 4.580 4.040 3.229 4.594 0.014 35 0 "[ . 1 . 2 . 3 . 4]" 3
101 1 47 MET H 1 49 GLY H 3.440 . 5.180 4.237 3.712 4.979 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
102 1 47 MET QB 1 49 GLY H 3.850 . 6.000 4.827 4.282 5.350 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
103 1 46 ARG HA 1 50 GLN H 2.810 . 3.920 3.439 2.682 3.914 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
104 1 48 LEU QB 1 50 GLN H 2.750 . 3.810 3.269 2.864 3.437 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
105 1 53 THR H 1 56 GLU H 2.930 . 4.160 3.913 3.523 4.195 0.035 8 0 "[ . 1 . 2 . 3 . 4]" 3
106 1 53 THR H 1 56 GLU HB3 2.620 . 3.540 3.434 3.039 3.557 0.017 13 0 "[ . 1 . 2 . 3 . 4]" 3
107 1 53 THR H 1 57 LEU H 3.460 . 5.210 4.264 3.102 4.985 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
108 1 53 THR HB 1 55 GLU H 2.770 . 3.850 2.627 2.263 3.093 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
109 1 53 THR MG 1 55 GLU H 3.850 . 6.000 4.040 3.735 4.537 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
110 1 54 PRO HA 1 56 GLU H 3.850 . 6.000 4.398 3.860 5.240 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
111 1 53 THR MG 1 56 GLU H 3.850 . 6.000 4.261 3.870 4.524 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
112 1 53 THR HB 1 56 GLU H 3.420 . 5.140 2.952 2.496 3.863 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
113 1 52 PRO QB 1 57 LEU H 3.610 . 5.520 4.033 3.213 4.528 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
114 1 54 PRO HA 1 57 LEU H 3.580 . 5.460 3.665 3.398 4.077 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
115 1 54 PRO HA 1 58 GLN H 3.670 . 5.630 5.017 3.979 5.633 0.003 39 0 "[ . 1 . 2 . 3 . 4]" 3
116 1 57 LEU H 1 59 GLU H 3.470 . 5.240 4.259 3.659 4.959 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
117 1 58 GLN HA 1 60 MET H 3.820 . 5.940 4.618 3.942 5.188 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
118 1 59 GLU HA 1 62 ASP H 2.970 . 4.240 3.621 3.038 4.247 0.007 4 0 "[ . 1 . 2 . 3 . 4]" 3
119 1 61 ILE HA 1 63 GLU H 3.480 . 5.260 3.713 3.355 4.365 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
120 1 60 MET HA 1 63 GLU H 3.310 . 4.920 3.975 3.430 4.775 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
121 1 61 ILE HA 1 65 ASP H 2.900 . 4.100 3.892 2.918 4.117 0.017 10 0 "[ . 1 . 2 . 3 . 4]" 3
122 1 62 ASP HA 1 65 ASP H 3.230 . 4.750 3.821 3.372 4.365 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
123 1 67 ASP H 1 69 SER H 3.160 . 4.620 3.843 3.405 4.312 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
124 1 65 ASP HA 1 67 ASP H 3.150 . 4.590 3.564 3.104 4.520 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
125 1 66 GLU HA 1 68 GLY H 3.500 . 5.300 4.019 3.280 4.940 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
126 1 65 ASP QB 1 68 GLY H 3.540 . 5.380 3.391 2.219 4.686 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
127 1 66 GLU H 1 68 GLY H 3.470 . 5.240 4.024 3.261 4.858 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
128 1 65 ASP HA 1 68 GLY H 3.540 . 5.380 4.370 3.639 5.147 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
129 1 67 ASP HA 1 69 SER H 3.380 . 5.060 4.665 4.134 5.071 0.011 25 0 "[ . 1 . 2 . 3 . 4]" 3
130 1 73 ASP H 1 76 GLU QB 3.850 . 6.000 2.263 1.839 2.948 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
131 1 73 ASP H 1 76 GLU QG 3.850 . 6.000 3.696 2.976 4.377 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
132 1 73 ASP H 1 76 GLU H 3.690 . 5.680 3.308 2.838 3.791 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
133 1 75 ASP H 1 77 PHE H 3.230 . 4.760 3.982 3.595 4.543 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
134 1 73 ASP QB 1 75 ASP H 3.120 . 4.540 2.877 2.213 3.781 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
135 1 72 VAL HB 1 77 PHE H 3.350 . 5.000 4.672 4.226 4.990 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
136 1 72 VAL HA 1 77 PHE H 3.160 . 4.620 4.121 3.768 4.536 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
137 1 79 VAL H 1 81 MET H 3.170 . 4.630 4.318 3.816 4.629 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
138 1 78 LEU HA 1 81 MET H 2.790 . 3.880 3.415 3.118 3.754 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
139 1 79 VAL HA 1 82 VAL H 2.860 . 4.020 3.730 3.089 4.025 0.005 25 0 "[ . 1 . 2 . 3 . 4]" 3
140 1 78 LEU HA 1 82 VAL H 3.190 . 4.680 4.128 3.781 4.595 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
141 1 82 VAL H 1 85 MET QG 3.270 . 4.830 4.000 3.249 4.309 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
142 1 80 MET HA 1 83 ARG H 3.330 . 4.960 3.737 3.292 3.907 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
143 1 79 VAL MG1 1 83 ARG H 3.850 . 6.000 4.220 3.764 4.819 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
144 1 79 VAL HA 1 83 ARG H 3.620 . 5.540 4.116 3.678 4.691 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
145 1 81 MET HA 1 84 CYS H 3.100 . 4.500 3.575 3.104 4.179 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
146 1 80 MET HA 1 84 CYS H 3.180 . 4.660 4.523 4.020 4.689 0.029 37 0 "[ . 1 . 2 . 3 . 4]" 3
147 1 23 ALA HA 1 26 ILE MD 2.960 . 4.210 2.676 2.113 3.540 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
148 1 20 PHE HA 1 23 ALA MB 3.390 . 5.080 2.714 2.279 3.364 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
149 1 28 VAL HB 1 31 ALA MB 2.800 . 3.900 2.248 1.855 2.818 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
150 1 28 VAL MG1 1 31 ALA MB 3.850 . 6.000 3.053 2.081 3.462 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
151 1 28 VAL MG2 1 31 ALA MB 3.850 . 6.000 3.454 3.112 3.838 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
152 1 7 ALA MB 1 10 GLU QB 3.850 . 6.000 4.044 3.676 4.452 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
153 1 4 ILE HA 1 7 ALA MB 2.880 . 4.050 3.223 2.558 3.389 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
154 1 8 ALA HA 1 11 GLN HB2 2.710 . 3.730 2.599 1.966 3.664 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
155 1 5 TYR HA 1 8 ALA MB 2.950 . 4.200 2.456 1.945 3.022 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
156 1 25 ASP HA 1 28 VAL HB 3.150 . 4.590 4.531 4.366 4.605 0.015 13 0 "[ . 1 . 2 . 3 . 4]" 3
157 1 25 ASP HA 1 28 VAL MG1 3.490 . 5.280 3.135 2.300 4.014 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
158 1 25 ASP HA 1 28 VAL MG2 2.660 . 3.620 1.847 1.760 2.022 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
159 1 25 ASP HB3 1 28 VAL MG2 3.850 . 6.000 3.628 3.306 3.895 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
160 1 25 ASP HB2 1 28 VAL MG2 3.850 . 6.000 4.233 4.094 4.323 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
161 1 3 ASP HA 1 6 LYS QB 3.210 . 4.720 2.967 1.909 4.236 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
162 1 3 ASP HA 1 6 LYS QD 3.700 . 5.700 3.622 2.107 5.046 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
163 1 3 ASP HA 1 6 LYS QG 3.380 . 5.060 3.392 2.098 4.477 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
164 1 3 ASP HA 1 6 LYS H 3.210 . 4.710 3.562 2.979 4.473 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
165 1 3 ASP HA 1 5 TYR H 3.680 . 5.660 4.209 3.223 5.519 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
166 1 3 ASP QB 1 6 LYS QB 3.590 . 5.480 3.729 2.167 4.352 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
167 1 62 ASP HA 1 65 ASP QB 2.830 . 3.970 2.872 2.325 3.436 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
168 1 58 GLN HE22 1 62 ASP HA 2.790 . 3.880 3.604 2.628 3.903 0.023 14 0 "[ . 1 . 2 . 3 . 4]" 3
169 1 59 GLU HA 1 62 ASP QB 2.850 . 4.000 2.739 2.083 3.579 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
170 1 61 ILE MG 1 65 ASP QB 3.290 . 4.880 2.867 2.004 3.590 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
171 1 75 ASP HA 1 78 LEU MD1 3.610 . 5.520 3.740 2.882 4.585 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
172 1 75 ASP HA 1 78 LEU H 3.590 . 5.480 4.193 3.706 4.790 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
173 1 14 GLU HA 1 17 LYS QD 3.540 . 5.370 2.941 1.850 4.300 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
174 1 14 GLU HA 1 17 LYS QE 3.850 . 6.000 3.933 2.216 5.314 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
175 1 14 GLU HA 1 18 ASN HB2 3.220 . 4.740 4.668 4.447 4.759 0.019 30 0 "[ . 1 . 2 . 3 . 4]" 3
176 1 14 GLU QG 1 18 ASN HD21 3.830 . 5.960 3.885 2.066 5.268 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
177 1 14 GLU QG 1 18 ASN HD22 3.830 . 5.960 3.843 2.194 5.093 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
178 1 15 GLU HA 1 18 ASN HB3 3.070 . 4.440 3.586 3.058 4.352 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
179 1 15 GLU HA 1 18 ASN HB2 2.910 . 4.120 2.540 2.119 3.043 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
180 1 15 GLU HA 1 18 ASN HD21 3.390 . 5.080 3.152 2.386 4.121 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
181 1 15 GLU HA 1 18 ASN HD22 3.280 . 4.860 4.597 4.067 4.876 0.016 10 0 "[ . 1 . 2 . 3 . 4]" 3
182 1 13 THR HA 1 15 GLU QG 3.350 . 5.000 4.290 4.039 4.467 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
183 1 19 GLU HA 1 22 ALA MB 2.980 . 4.260 3.270 2.490 3.556 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
184 1 19 GLU HA 1 22 ALA H 3.060 . 4.420 3.751 3.319 4.007 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
185 1 16 GLN HA 1 19 GLU QB 3.380 . 5.050 3.165 2.700 3.850 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
186 1 55 GLU HA 1 58 GLN H 3.310 . 4.920 4.462 3.977 4.916 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
187 1 60 MET HA 1 63 GLU QB 3.850 . 6.000 3.276 2.206 4.418 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
188 1 76 GLU HA 1 79 VAL H 3.370 . 5.040 3.408 3.067 3.852 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
189 1 72 VAL MG2 1 76 GLU QB 3.850 . 6.000 3.937 3.576 4.305 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
190 1 72 VAL MG1 1 76 GLU QB 3.460 . 5.220 2.358 1.911 2.820 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
191 1 17 LYS HA 1 20 PHE QB 3.620 . 5.540 2.544 1.983 3.096 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
192 1 21 LYS HA 1 24 PHE HB2 3.000 . 4.300 3.216 2.226 3.853 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
193 1 21 LYS HA 1 24 PHE HB3 2.770 . 3.850 2.600 2.283 2.862 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
194 1 74 PHE HA 1 77 PHE H 2.890 . 4.080 3.841 3.373 4.069 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
195 1 77 PHE HA 1 80 MET QB 2.940 . 4.180 3.078 2.292 3.771 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
196 1 72 VAL HB 1 77 PHE HA 2.830 . 3.950 3.962 3.862 4.006 0.056 29 0 "[ . 1 . 2 . 3 . 4]" 3
197 1 72 VAL MG2 1 77 PHE HA 3.730 . 5.760 4.125 3.865 4.385 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
198 1 72 VAL MG1 1 77 PHE HA 2.980 . 4.250 1.798 1.719 2.003 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
199 1 74 PHE HA 1 77 PHE HB2 2.620 . 3.540 3.378 2.994 3.559 0.019 35 0 "[ . 1 . 2 . 3 . 4]" 3
200 1 72 VAL MG1 1 77 PHE HB2 2.980 . 4.260 2.208 1.863 2.683 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
201 1 74 PHE HA 1 77 PHE HB3 2.720 . 3.740 2.460 2.186 2.761 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
202 1 72 VAL MG1 1 77 PHE HB3 3.460 . 5.220 3.447 3.179 3.817 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
203 1 31 ALA MB 1 34 GLY QA 2.690 . 3.680 2.613 2.283 2.765 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
204 1 42 GLY QA 1 45 MET QB 2.710 . 3.720 2.902 2.599 2.969 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
205 1 26 ILE HA 1 29 LEU MD2 3.380 . 5.050 3.327 1.911 4.220 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
206 1 26 ILE HA 1 29 LEU MD1 3.610 . 5.520 3.037 1.824 4.592 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
207 1 23 ALA HA 1 26 ILE HB 2.900 . 4.090 2.687 2.098 3.159 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
208 1 23 ALA HA 1 26 ILE MG 3.750 . 5.800 3.714 3.241 4.020 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
209 1 36 ILE MG 1 40 GLU QB 3.310 . 4.910 3.013 2.240 3.668 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
210 1 36 ILE MG 1 41 LEU HA 3.460 . 5.210 3.356 2.631 3.748 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
211 1 36 ILE MG 1 41 LEU QB 3.850 . 6.000 3.935 3.256 4.400 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
212 1 58 GLN HA 1 61 ILE HB 2.690 . 3.690 2.706 2.211 3.311 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
213 1 58 GLN HA 1 61 ILE MG 3.850 . 6.000 3.886 3.035 4.594 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
214 1 58 GLN HE21 1 61 ILE MG 3.380 . 5.060 3.528 2.456 4.213 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
215 1 58 GLN HE22 1 61 ILE MG 3.600 . 5.500 3.229 1.924 4.553 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
216 1 12 LEU QD 1 17 LYS QD 3.850 . 6.000 3.121 1.821 3.922 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
217 1 18 ASN HA 1 21 LYS QB 2.920 . 4.140 2.902 2.404 3.549 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
218 1 43 LYS HA 1 46 ARG QD 3.380 . 5.050 3.285 1.805 4.477 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
219 1 12 LEU HB3 1 16 GLN QG 3.170 . 4.640 2.733 1.910 3.616 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
220 1 12 LEU MD2 1 16 GLN QB 3.850 . 6.000 3.436 2.717 4.246 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
221 1 12 LEU MD2 1 16 GLN HE21 3.850 . 6.000 3.322 1.783 4.857 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
222 1 12 LEU MD2 1 16 GLN QG 3.850 . 6.000 2.719 1.783 4.076 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
223 1 9 VAL HA 1 12 LEU MD2 3.850 . 6.000 4.005 3.007 4.474 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
224 1 9 VAL HA 1 12 LEU HG 2.620 . 3.540 2.959 2.230 3.513 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
225 1 26 ILE HA 1 29 LEU HG 3.630 . 5.560 3.833 2.284 5.512 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
226 1 41 LEU HA 1 44 VAL HB 2.810 . 3.910 2.239 1.857 3.359 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
227 1 41 LEU HA 1 44 VAL QG 3.410 . 5.120 2.331 1.845 2.854 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
228 1 38 THR HA 1 41 LEU QB 3.190 . 4.680 2.056 1.825 2.483 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
229 1 41 LEU MD2 1 45 MET QB 3.850 . 6.000 4.089 3.439 4.449 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
230 1 41 LEU MD2 1 45 MET ME 3.850 . 6.000 3.159 2.117 4.135 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
231 1 41 LEU MD2 1 45 MET QG 3.650 . 5.590 2.625 2.019 3.339 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
232 1 41 LEU MD2 1 44 VAL HB 3.620 . 5.540 2.485 1.998 3.700 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
233 1 41 LEU MD1 1 45 MET QG 3.850 . 6.000 2.740 1.673 4.433 0.027 4 0 "[ . 1 . 2 . 3 . 4]" 3
234 1 38 THR HA 1 41 LEU MD1 3.850 . 6.000 3.479 1.807 4.605 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
235 1 41 LEU MD1 1 44 VAL HB 3.740 . 5.780 3.968 2.569 4.848 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
236 1 45 MET HA 1 48 LEU MD1 3.850 . 6.000 2.991 2.065 4.893 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
237 1 44 VAL MG1 1 48 LEU MD1 3.850 . 6.000 2.308 1.642 3.725 0.058 2 0 "[ . 1 . 2 . 3 . 4]" 3
238 1 44 VAL MG1 1 48 LEU MD2 3.850 . 6.000 3.517 1.764 4.150 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
239 1 57 LEU HA 1 61 ILE QG 3.340 . 4.980 4.135 3.467 4.422 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
240 1 57 LEU HA 1 60 MET H 3.580 . 5.460 4.005 3.501 4.578 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
241 1 54 PRO HA 1 57 LEU QB 3.580 . 5.460 2.823 2.319 3.602 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
242 1 54 PRO HA 1 57 LEU MD2 3.770 . 5.840 3.632 2.675 4.819 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
243 1 74 PHE HZ 1 78 LEU MD2 3.850 . 6.000 4.698 4.151 5.008 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
244 1 78 LEU MD2 1 81 MET HB3 3.270 . 4.840 3.939 3.572 4.049 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
245 1 78 LEU MD2 1 81 MET HB2 3.850 . 6.000 3.369 2.845 3.861 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
246 1 47 MET HA 1 49 GLY H 3.600 . 5.500 4.375 3.540 5.478 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
247 1 44 VAL HA 1 47 MET ME 3.850 . 6.000 3.599 2.381 4.451 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
248 1 44 VAL MG1 1 47 MET ME 3.850 . 6.000 3.656 2.398 4.108 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
249 1 44 VAL HA 1 47 MET QG 2.690 . 3.670 2.666 2.070 3.274 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
250 1 80 MET HA 1 83 ARG HB2 2.850 . 4.000 2.603 2.140 2.909 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
251 1 80 MET HA 1 83 ARG HB3 3.050 . 4.400 3.909 3.492 4.361 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
252 1 77 PHE HA 1 80 MET ME 3.850 . 6.000 3.566 2.626 4.386 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
253 1 81 MET HA 1 84 CYS QB 3.070 . 4.440 3.299 2.586 3.939 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
254 1 78 LEU HA 1 81 MET HB2 3.160 . 4.620 2.710 2.439 3.242 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
255 1 81 MET HA 1 85 MET ME 3.850 . 6.000 3.718 3.135 4.248 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
256 1 82 VAL HA 1 85 MET ME 3.620 . 5.540 2.331 1.915 2.875 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
257 1 82 VAL MG1 1 85 MET ME 3.850 . 6.000 3.975 3.607 4.166 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
258 1 82 VAL MG2 1 85 MET ME 3.850 . 6.000 3.805 2.458 4.162 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
259 1 46 ARG QG 1 51 ASN HA 3.220 . 4.740 3.313 2.537 4.162 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
260 1 50 GLN HA 1 52 PRO QD 3.110 . 4.520 3.882 3.554 4.060 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
261 1 50 GLN HB2 1 52 PRO QD 2.980 . 4.260 2.790 2.259 3.246 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
262 1 52 PRO QG 1 57 LEU QD 3.210 . 4.720 2.548 2.037 3.127 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
263 1 54 PRO HA 1 57 LEU QD 3.100 . 4.500 2.514 1.822 3.251 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
264 1 8 ALA HA 1 11 GLN HB3 3.280 . 4.860 3.851 3.159 4.602 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
265 1 58 GLN HA 1 61 ILE MD 3.400 . 5.100 2.769 2.083 3.901 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
266 1 58 GLN HA 1 61 ILE H 3.790 . 5.870 3.639 3.206 4.356 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
267 1 55 GLU HA 1 58 GLN QB 3.540 . 5.380 4.246 3.618 4.711 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
268 1 38 THR HA 1 41 LEU HG 2.730 . 3.760 3.523 2.920 3.758 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
269 1 53 THR MG 1 55 GLU QB 3.850 . 6.000 4.244 3.993 4.465 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
270 1 28 VAL HA 1 31 ALA MB 3.350 . 5.000 2.185 1.836 2.868 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
271 1 41 LEU HA 1 44 VAL MG2 3.490 . 5.280 2.417 1.847 3.276 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
272 1 61 ILE HA 1 64 VAL MG1 3.440 . 5.170 2.286 1.795 3.133 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
273 1 72 VAL MG1 1 77 PHE H 2.830 . 3.950 2.378 2.029 2.703 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
274 1 76 GLU HA 1 79 VAL HB 2.620 . 3.540 2.659 2.252 3.273 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
275 1 79 VAL MG1 1 83 ARG QD 3.850 . 6.000 2.541 1.785 3.683 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
276 1 79 VAL MG1 1 83 ARG QG 3.700 . 5.700 2.571 1.846 3.420 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
277 1 82 VAL HA 1 86 LYS H 3.410 . 5.120 4.432 3.624 5.141 0.021 35 0 "[ . 1 . 2 . 3 . 4]" 3
278 1 82 VAL HA 1 85 MET QG 3.350 . 5.000 2.524 1.835 3.302 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
279 1 82 VAL HA 1 85 MET H 3.350 . 5.000 3.574 3.212 4.862 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
280 1 79 VAL HA 1 82 VAL MG2 3.230 . 4.750 3.984 3.942 4.017 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
281 1 6 LYS HA 1 9 VAL HB 2.650 . 3.610 3.331 2.791 3.606 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
282 1 6 LYS HA 1 9 VAL MG2 3.340 . 4.980 3.147 2.186 3.961 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
283 1 23 ALA MB 1 27 PHE QE 3.850 . 6.000 2.235 1.840 2.745 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
284 1 5 TYR QD 1 8 ALA MB 3.850 . 6.000 3.688 3.193 4.156 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
285 1 17 LYS HA 1 20 PHE QD 3.620 . 5.540 3.041 1.866 4.214 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
286 1 21 LYS HA 1 24 PHE QD 3.850 . 6.000 3.940 2.843 4.492 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
287 1 74 PHE QE 1 78 LEU MD1 3.850 . 6.000 2.836 1.835 3.844 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
288 1 77 PHE QD 1 80 MET ME 3.850 . 6.000 3.482 2.659 4.315 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
289 1 77 PHE QE 1 80 MET ME 3.850 . 6.000 3.951 3.119 4.451 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
290 1 72 VAL MG1 1 77 PHE QD 3.850 . 6.000 2.274 1.890 2.821 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
291 1 8 ALA HA 1 11 GLN HE22 3.850 . 6.000 4.287 2.782 5.941 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
292 1 7 ALA MB 1 11 GLN HE22 3.850 . 6.000 2.695 1.831 4.967 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
293 1 7 ALA MB 1 11 GLN HE21 3.850 . 6.000 3.491 2.034 4.796 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
294 1 14 GLU QB 1 18 ASN HD22 3.850 . 6.000 3.872 2.703 5.331 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
295 1 45 MET ME 1 50 GLN HE22 3.850 . 6.000 3.860 2.495 4.951 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
296 1 58 GLN HE21 1 61 ILE HB 3.460 . 5.210 3.378 2.380 4.843 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
stop_
save_
save_distance_constraint_statistics_4
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 4
_Distance_constraint_stats_list.Constraint_count 124
_Distance_constraint_stats_list.Viol_count 50
_Distance_constraint_stats_list.Viol_total 43.713
_Distance_constraint_stats_list.Viol_max 0.080
_Distance_constraint_stats_list.Viol_rms 0.0031
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0002
_Distance_constraint_stats_list.Viol_average_violations_only 0.0219
_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 5 TYR 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 8 ALA 0.601 0.080 16 0 "[ . 1 . 2 . 3 . 4]"
1 9 VAL 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 12 LEU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 17 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 20 PHE 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 21 LYS 0.006 0.006 36 0 "[ . 1 . 2 . 3 . 4]"
1 23 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 24 PHE 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 26 ILE 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 27 PHE 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 28 VAL 0.016 0.012 32 0 "[ . 1 . 2 . 3 . 4]"
1 34 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 35 CYS 0.097 0.023 28 0 "[ . 1 . 2 . 3 . 4]"
1 36 ILE 0.022 0.012 32 0 "[ . 1 . 2 . 3 . 4]"
1 37 SER 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 38 THR 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 41 LEU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 42 GLY 0.196 0.051 12 0 "[ . 1 . 2 . 3 . 4]"
1 43 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 44 VAL 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 45 MET 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 46 ARG 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 47 MET 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 48 LEU 0.119 0.077 39 0 "[ . 1 . 2 . 3 . 4]"
1 50 GLN 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 52 PRO 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 57 LEU 0.196 0.051 12 0 "[ . 1 . 2 . 3 . 4]"
1 58 GLN 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 60 MET 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 61 ILE 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 64 VAL 0.052 0.013 12 0 "[ . 1 . 2 . 3 . 4]"
1 66 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 71 THR 0.005 0.005 35 0 "[ . 1 . 2 . 3 . 4]"
1 72 VAL 0.064 0.019 28 0 "[ . 1 . 2 . 3 . 4]"
1 73 ASP 0.010 0.009 18 0 "[ . 1 . 2 . 3 . 4]"
1 74 PHE 0.030 0.023 28 0 "[ . 1 . 2 . 3 . 4]"
1 76 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 77 PHE 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 78 LEU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 79 VAL 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 80 MET 0.052 0.013 12 0 "[ . 1 . 2 . 3 . 4]"
1 81 MET 0.119 0.077 39 0 "[ . 1 . 2 . 3 . 4]"
1 82 VAL 0.601 0.080 16 0 "[ . 1 . 2 . 3 . 4]"
1 83 ARG 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 85 MET 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 21 LYS H 1 74 PHE HZ 2.920 . 4.130 3.691 2.955 4.136 0.006 36 0 "[ . 1 . 2 . 3 . 4]" 4
2 1 28 VAL HB 1 34 GLY H 3.850 . 6.000 3.913 3.372 4.154 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
3 1 28 VAL MG1 1 34 GLY H 3.850 . 6.000 4.548 3.412 4.947 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
4 1 28 VAL MG2 1 34 GLY H 3.850 . 6.000 4.889 4.224 5.012 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
5 1 28 VAL HB 1 35 CYS H 3.110 . 4.520 2.953 2.006 3.648 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
6 1 28 VAL MG1 1 35 CYS H 3.380 . 5.060 2.939 2.157 3.476 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
7 1 28 VAL MG2 1 35 CYS H 3.850 . 6.000 4.371 3.688 4.782 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
8 1 36 ILE H 1 72 VAL H 2.880 . 4.050 3.380 2.864 3.798 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
9 1 28 VAL MG1 1 36 ILE H 3.850 . 6.000 3.155 2.713 3.567 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
10 1 36 ILE H 1 72 VAL HB 2.910 . 4.120 3.793 3.174 4.102 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
11 1 36 ILE H 1 71 THR HB 2.970 . 4.240 3.800 3.169 4.245 0.005 35 0 "[ . 1 . 2 . 3 . 4]" 4
12 1 36 ILE H 1 73 ASP HA 3.290 . 4.870 3.424 2.563 3.988 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
13 1 38 THR H 1 71 THR HA 2.800 . 3.900 3.411 2.612 3.866 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
14 1 42 GLY H 1 57 LEU QD 3.440 . 5.170 2.080 1.778 2.482 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
15 1 43 LYS H 1 57 LEU MD2 3.850 . 6.000 4.366 3.832 4.976 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
16 1 27 PHE QE 1 48 LEU H 3.640 . 5.580 4.949 4.771 4.998 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
17 1 38 THR MG 1 58 GLN H 3.850 . 6.000 4.813 3.873 5.007 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
18 1 66 GLU H 1 76 GLU QG 3.070 . 4.440 2.909 1.878 3.732 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
19 1 66 GLU H 1 76 GLU QB 3.700 . 5.700 4.338 3.288 5.052 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
20 1 36 ILE HB 1 72 VAL H 2.870 . 4.040 3.615 3.131 4.015 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
21 1 37 SER HA 1 72 VAL H 2.930 . 4.160 2.955 2.233 3.696 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
22 1 35 CYS HB3 1 72 VAL H 2.850 . 4.000 3.882 3.207 4.019 0.019 28 0 "[ . 1 . 2 . 3 . 4]" 4
23 1 24 PHE QE 1 74 PHE H 3.850 . 6.000 2.915 1.877 5.128 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
24 1 35 CYS HA 1 74 PHE H 3.850 . 6.000 5.203 4.450 6.023 0.023 28 0 "[ . 1 . 2 . 3 . 4]" 4
25 1 64 VAL MG1 1 80 MET H 3.330 . 4.960 3.498 2.561 4.002 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
26 1 23 ALA MB 1 48 LEU MD2 3.850 . 6.000 2.861 2.262 3.694 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
27 1 8 ALA MB 1 82 VAL HB 3.060 . 4.410 3.572 3.268 3.695 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
28 1 8 ALA MB 1 82 VAL MG1 2.960 . 4.220 2.855 2.047 2.941 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
29 1 8 ALA MB 1 82 VAL MG2 3.620 . 5.540 1.733 1.620 1.942 0.080 16 0 "[ . 1 . 2 . 3 . 4]" 4
30 1 35 CYS HA 1 73 ASP HA 2.790 . 3.870 3.449 2.482 3.879 0.009 18 0 "[ . 1 . 2 . 3 . 4]" 4
31 1 28 VAL MG1 1 35 CYS HA 3.190 . 4.670 2.529 2.021 3.004 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
32 1 28 VAL MG2 1 35 CYS HA 3.830 . 5.960 4.788 4.369 4.968 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
33 1 35 CYS HB3 1 71 THR HB 2.810 . 3.930 2.222 1.882 2.643 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
34 1 35 CYS HB3 1 71 THR MG 3.850 . 6.000 3.199 1.934 3.809 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
35 1 35 CYS HB2 1 71 THR HB 2.800 . 3.900 3.461 2.676 3.891 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
36 1 35 CYS HB2 1 71 THR MG 3.390 . 5.080 3.509 2.739 4.233 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
37 1 20 PHE QB 1 78 LEU MD2 3.850 . 6.000 3.276 2.398 3.987 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
38 1 24 PHE HA 1 36 ILE MD 3.850 . 6.000 2.191 1.829 2.955 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
39 1 27 PHE HB2 1 36 ILE MG 3.850 . 6.000 1.771 1.703 1.916 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
40 1 27 PHE HB3 1 36 ILE MD 3.320 . 4.940 3.824 3.198 4.115 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
41 1 27 PHE HB3 1 36 ILE MG 3.850 . 6.000 1.848 1.768 2.146 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
42 1 28 VAL MG1 1 34 GLY QA 3.400 . 5.100 3.114 2.386 3.402 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
43 1 28 VAL MG2 1 34 GLY QA 2.920 . 4.130 2.827 2.058 3.062 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
44 1 28 VAL HB 1 34 GLY QA 2.230 . 2.770 2.239 1.849 2.487 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
45 1 42 GLY QA 1 57 LEU QD 2.330 . 2.950 1.839 1.649 1.956 0.051 12 0 "[ . 1 . 2 . 3 . 4]" 4
46 1 42 GLY QA 1 52 PRO QG 2.730 . 3.750 2.909 2.548 2.993 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
47 1 36 ILE HB 1 72 VAL HB 2.170 . 2.640 2.380 2.097 2.613 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
48 1 27 PHE HB2 1 36 ILE MD 2.900 . 4.100 2.888 1.997 3.398 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
49 1 28 VAL MG1 1 36 ILE MD 3.850 . 6.000 3.157 2.735 3.751 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
50 1 36 ILE MD 1 72 VAL HB 3.520 . 5.340 3.498 2.764 4.092 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
51 1 36 ILE MD 1 72 VAL MG1 3.850 . 6.000 3.626 3.058 4.144 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
52 1 28 VAL MG1 1 36 ILE QG 3.080 . 4.460 1.895 1.688 2.392 0.012 32 0 "[ . 1 . 2 . 3 . 4]" 4
53 1 27 PHE H 1 36 ILE MG 3.110 . 4.520 3.813 3.782 3.843 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
54 1 28 VAL HA 1 36 ILE MG 3.850 . 6.000 4.125 3.319 4.983 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
55 1 36 ILE MG 1 72 VAL HB 3.190 . 4.670 3.819 3.514 3.917 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
56 1 38 THR HB 1 61 ILE MD 3.850 . 6.000 2.118 1.748 4.840 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
57 1 38 THR MG 1 61 ILE MD 3.850 . 6.000 2.958 1.824 3.995 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
58 1 38 THR HB 1 61 ILE MG 3.020 . 4.340 3.236 2.404 3.626 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
59 1 17 LYS HA 1 78 LEU MD2 3.850 . 6.000 3.344 2.423 4.183 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
60 1 41 LEU MD2 1 72 VAL HB 3.850 . 6.000 4.238 3.313 4.972 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
61 1 42 GLY QA 1 57 LEU MD2 3.750 . 5.790 2.337 1.784 3.238 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
62 1 38 THR HB 1 57 LEU MD2 3.850 . 6.000 4.248 2.483 4.993 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
63 1 17 LYS QG 1 78 LEU MD1 3.850 . 6.000 2.882 1.924 4.430 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
64 1 45 MET QB 1 52 PRO QD 2.810 . 3.930 1.936 1.791 2.198 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
65 1 45 MET ME 1 52 PRO QD 3.850 . 6.000 4.284 3.051 4.471 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
66 1 23 ALA HA 1 47 MET ME 3.850 . 6.000 4.325 3.293 4.989 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
67 1 26 ILE HB 1 47 MET ME 3.630 . 5.560 3.840 2.363 4.595 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
68 1 26 ILE MD 1 47 MET ME 3.850 . 6.000 3.552 2.690 4.158 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
69 1 64 VAL HB 1 80 MET HA 2.670 . 3.650 3.549 3.014 3.663 0.013 12 0 "[ . 1 . 2 . 3 . 4]" 4
70 1 64 VAL MG1 1 80 MET HA 3.020 . 4.340 3.394 2.879 3.626 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
71 1 64 VAL MG1 1 80 MET QB 3.060 . 4.420 2.843 1.815 3.289 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
72 1 61 ILE HA 1 80 MET ME 3.850 . 6.000 3.796 2.852 4.664 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
73 1 61 ILE QG 1 80 MET ME 3.830 . 5.960 2.277 1.755 3.378 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
74 1 60 MET QB 1 80 MET ME 3.330 . 4.960 3.307 2.280 3.680 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
75 1 72 VAL MG1 1 80 MET ME 3.850 . 6.000 2.775 1.856 3.661 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
76 1 64 VAL MG1 1 80 MET QG 3.120 . 4.540 2.100 1.741 3.382 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
77 1 48 LEU MD1 1 81 MET ME 3.850 . 6.000 2.152 1.623 3.225 0.077 39 0 "[ . 1 . 2 . 3 . 4]" 4
78 1 44 VAL MG1 1 81 MET ME 3.850 . 6.000 3.827 2.889 4.162 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
79 1 20 PHE HZ 1 85 MET ME 3.850 . 6.000 3.939 2.793 4.960 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
80 1 12 LEU QD 1 85 MET ME 3.290 . 4.880 2.698 2.073 3.022 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
81 1 50 GLN HE21 1 85 MET ME 3.850 . 6.000 4.801 4.115 4.999 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
82 1 46 ARG QG 1 52 PRO QD 3.220 . 4.740 3.394 2.946 3.778 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
83 1 38 THR MG 1 58 GLN HA 3.850 . 6.000 3.432 2.302 4.289 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
84 1 64 VAL MG1 1 83 ARG QD 3.850 . 6.000 3.938 3.359 4.451 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
85 1 37 SER QB 1 71 THR MG 3.520 . 5.340 2.901 1.982 3.959 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
86 1 61 ILE MG 1 71 THR HA 3.440 . 5.180 4.049 3.447 4.317 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
87 1 37 SER HA 1 71 THR HA 2.860 . 4.020 2.230 1.852 3.106 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
88 1 28 VAL MG1 1 35 CYS HB2 3.850 . 6.000 4.228 3.851 4.466 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
89 1 28 VAL MG1 1 36 ILE HA 3.120 . 4.540 2.532 1.936 2.948 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
90 1 64 VAL MG1 1 80 MET ME 3.850 . 6.000 3.787 3.399 4.166 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
91 1 36 ILE HB 1 72 VAL MG2 3.850 . 6.000 3.532 3.057 3.982 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
92 1 36 ILE HB 1 72 VAL MG1 3.360 . 5.020 3.781 3.400 4.034 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
93 1 61 ILE QG 1 72 VAL MG1 3.040 . 4.370 3.161 2.892 3.268 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
94 1 64 VAL MG1 1 79 VAL HB 2.980 . 4.260 3.512 2.974 3.578 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
95 1 5 TYR HB2 1 79 VAL MG1 3.850 . 6.000 3.722 2.844 4.576 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
96 1 5 TYR HB3 1 79 VAL MG1 3.810 . 5.910 2.592 1.849 3.181 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
97 1 12 LEU MD2 1 82 VAL HA 3.850 . 6.000 4.473 3.695 4.996 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
98 1 9 VAL HA 1 82 VAL MG1 3.060 . 4.410 3.616 3.392 3.695 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
99 1 5 TYR HA 1 82 VAL MG1 3.810 . 5.920 4.311 3.033 4.940 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
100 1 9 VAL HA 1 82 VAL MG2 3.770 . 5.830 3.708 2.253 4.322 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
101 1 5 TYR HA 1 82 VAL MG2 3.850 . 6.000 3.872 2.891 4.610 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
102 1 5 TYR HB3 1 82 VAL MG2 3.850 . 6.000 4.520 3.622 4.974 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
103 1 9 VAL MG1 1 78 LEU MD1 3.430 . 5.160 2.316 1.759 3.078 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
104 1 9 VAL MG1 1 79 VAL HA 3.400 . 5.090 4.077 3.653 4.250 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
105 1 20 PHE QD 1 78 LEU MD2 3.850 . 6.000 2.667 1.794 4.356 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
106 1 24 PHE HB2 1 74 PHE QD 3.850 . 6.000 3.206 2.291 4.998 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
107 1 24 PHE HB3 1 74 PHE QD 3.850 . 6.000 3.818 3.112 4.859 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
108 1 27 PHE QD 1 44 VAL MG1 3.850 . 6.000 2.840 2.457 3.593 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
109 1 24 PHE QD 1 36 ILE MD 3.850 . 6.000 1.990 1.787 2.536 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
110 1 36 ILE MD 1 77 PHE QD 3.850 . 6.000 2.808 2.112 3.471 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
111 1 36 ILE MD 1 77 PHE QE 3.850 . 6.000 3.186 2.327 4.031 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
112 1 21 LYS HA 1 74 PHE QD 3.850 . 6.000 3.624 2.508 4.367 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
113 1 21 LYS HA 1 74 PHE QE 3.230 . 4.760 2.350 1.877 3.693 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
114 1 27 PHE QE 1 48 LEU MD1 3.850 . 6.000 3.372 2.591 4.464 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
115 1 27 PHE QE 1 48 LEU MD2 3.850 . 6.000 3.604 2.627 4.374 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
116 1 20 PHE QD 1 81 MET ME 3.850 . 6.000 3.626 2.059 4.456 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
117 1 20 PHE QE 1 85 MET ME 3.850 . 6.000 3.917 3.032 4.450 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
118 1 5 TYR QD 1 83 ARG HA 3.850 . 6.000 3.759 2.390 5.218 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
119 1 5 TYR QE 1 83 ARG HA 3.720 . 5.740 2.731 2.068 4.022 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
120 1 27 PHE QE 1 44 VAL MG1 3.850 . 6.000 2.397 1.895 2.673 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
121 1 27 PHE QD 1 44 VAL MG2 3.850 . 6.000 1.962 1.701 2.372 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
122 1 5 TYR QD 1 82 VAL MG1 3.850 . 6.000 3.092 2.548 3.525 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
123 1 5 TYR QD 1 82 VAL MG2 3.850 . 6.000 3.389 2.074 4.400 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
124 1 5 TYR QE 1 82 VAL MG1 3.850 . 6.000 4.330 3.672 4.461 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
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