NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
396806 |
1smg   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1smg
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 336
_Distance_constraint_stats_list.Viol_count 42
_Distance_constraint_stats_list.Viol_total 142.311
_Distance_constraint_stats_list.Viol_max 0.241
_Distance_constraint_stats_list.Viol_rms 0.0061
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0003
_Distance_constraint_stats_list.Viol_average_violations_only 0.0847
_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 MET 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 4 THR 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 5 ASP 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 6 GLN 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 7 GLN 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 8 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 9 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 10 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 11 ARG 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 12 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 13 PHE 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 14 LEU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 15 SER 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 16 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 17 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 18 MET 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 19 ILE 0.304 0.187 34 0 "[ . 1 . 2 . 3 . 4]"
1 20 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 21 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 22 PHE 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 23 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 24 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 25 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 26 PHE 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 27 ASP 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 28 MET 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 29 PHE 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 30 ASP 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 31 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 32 ASP 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 36 ASP 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 37 ILE 1.844 0.241 34 0 "[ . 1 . 2 . 3 . 4]"
1 38 SER 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 39 THR 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 40 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 41 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 42 LEU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 44 THR 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 45 VAL 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 46 MET 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 47 ARG 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 48 MET 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 49 LEU 0.057 0.039 19 0 "[ . 1 . 2 . 3 . 4]"
1 51 GLN 0.011 0.011 22 0 "[ . 1 . 2 . 3 . 4]"
1 52 ASN 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 54 THR 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 55 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 56 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 57 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 58 LEU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 59 ASP 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 60 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 61 ILE 0.348 0.095 27 0 "[ . 1 . 2 . 3 . 4]"
1 62 ILE 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 63 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 64 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 65 VAL 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 66 ASP 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 67 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 68 ASP 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 70 SER 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 72 THR 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 73 ILE 0.981 0.169 26 0 "[ . 1 . 2 . 3 . 4]"
1 74 ASP 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 75 PHE 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 76 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 77 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 78 PHE 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 79 LEU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 80 VAL 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 81 MET 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 82 MET 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 83 VAL 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 84 ARG 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 85 GLN 0.013 0.012 39 0 "[ . 1 . 2 . 3 . 4]"
1 86 MET 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 87 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 88 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 89 ASP 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 90 ALA 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 MET H 1 3 MET QB 3.500 . 5.290 2.873 2.111 3.463 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
2 1 3 MET H 1 3 MET QG 3.850 . 6.000 2.983 1.868 4.287 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
3 1 3 MET H 1 3 MET HA 2.690 . 3.670 2.871 2.350 2.995 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
4 1 4 THR H 1 4 THR HA 2.710 . 3.720 2.853 2.340 2.991 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
5 1 4 THR H 1 4 THR MG 2.840 . 3.980 2.498 1.856 3.322 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
6 1 5 ASP H 1 5 ASP HA 2.710 . 3.710 2.868 2.815 2.885 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
7 1 5 ASP H 1 5 ASP QB 2.730 . 3.750 2.465 2.095 2.753 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
8 1 6 GLN H 1 6 GLN QG 3.000 . 4.300 2.557 1.847 3.918 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
9 1 6 GLN H 1 6 GLN HA 2.700 . 3.700 2.837 2.823 2.867 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
10 1 7 GLN H 1 7 GLN QG 2.720 . 3.740 2.232 1.859 3.315 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
11 1 7 GLN H 1 7 GLN HA 2.700 . 3.700 2.915 2.899 2.921 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
12 1 7 GLN H 1 7 GLN QB 2.790 . 3.870 2.485 2.159 2.746 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
13 1 8 ALA H 1 8 ALA HA 2.700 . 3.700 2.890 2.869 2.895 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
14 1 8 ALA H 1 8 ALA MB 2.750 . 3.790 2.172 2.054 2.263 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
15 1 10 ALA H 1 10 ALA MB 3.060 . 4.410 2.179 2.057 2.259 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
16 1 11 ARG H 1 11 ARG HA 2.690 . 3.690 2.868 2.806 2.886 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
17 1 11 ARG H 1 11 ARG QG 3.590 . 5.480 3.338 1.858 3.991 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
18 1 11 ARG H 1 11 ARG QD 3.670 . 5.630 3.818 2.627 4.575 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
19 1 12 ALA H 1 12 ALA HA 2.690 . 3.690 2.879 2.836 2.918 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
20 1 12 ALA H 1 12 ALA MB 2.690 . 3.690 2.164 2.047 2.268 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
21 1 13 PHE H 1 13 PHE QD 3.210 . 4.710 4.186 4.060 4.227 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
22 1 13 PHE H 1 13 PHE HA 2.690 . 3.680 2.944 2.916 2.951 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
23 1 14 LEU H 1 14 LEU QB 2.570 . 3.440 2.522 2.385 2.647 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
24 1 14 LEU H 1 14 LEU HA 2.700 . 3.700 2.961 2.946 2.965 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
25 1 14 LEU H 1 14 LEU HG 2.500 . 3.290 2.256 2.000 2.637 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
26 1 14 LEU H 1 14 LEU MD1 3.190 . 4.680 3.501 3.177 3.858 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
27 1 14 LEU H 1 14 LEU MD2 3.340 . 4.980 3.550 3.370 3.676 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
28 1 15 SER H 1 15 SER QB 3.210 . 4.720 2.501 2.072 3.025 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
29 1 15 SER H 1 15 SER HA 2.710 . 3.710 2.954 2.878 2.987 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
30 1 16 GLU H 1 16 GLU QG 3.000 . 4.300 2.863 1.864 3.906 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
31 1 16 GLU H 1 16 GLU HA 2.690 . 3.690 2.832 2.774 2.848 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
32 1 16 GLU H 1 16 GLU QB 2.670 . 3.650 2.291 2.059 2.737 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
33 1 17 GLU H 1 17 GLU HA 2.690 . 3.690 2.881 2.848 2.886 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
34 1 17 GLU H 1 17 GLU QB 2.820 . 3.940 2.250 2.065 2.677 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
35 1 17 GLU H 1 17 GLU QG 3.170 . 4.640 3.104 1.996 4.008 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
36 1 18 MET H 1 18 MET QB 3.190 . 4.670 2.248 2.069 2.622 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
37 1 19 ILE H 1 19 ILE HA 2.700 . 3.700 2.836 2.767 2.941 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
38 1 20 ALA H 1 20 ALA MB 2.770 . 3.830 2.143 2.051 2.244 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
39 1 20 ALA H 1 20 ALA HA 2.690 . 3.680 2.869 2.792 2.888 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
40 1 21 GLU H 1 21 GLU QG 3.180 . 4.660 2.880 1.859 3.783 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
41 1 22 PHE H 1 22 PHE QD 2.810 . 3.920 2.889 2.339 3.325 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
42 1 22 PHE H 1 22 PHE QB 2.670 . 3.640 2.446 2.143 2.735 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
43 1 22 PHE H 1 22 PHE HA 2.690 . 3.690 2.852 2.804 2.893 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
44 1 23 LYS H 1 23 LYS QG 3.120 . 4.540 3.868 3.409 4.068 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
45 1 23 LYS H 1 23 LYS QB 2.520 . 3.330 2.198 2.060 2.281 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
46 1 23 LYS H 1 23 LYS HA 2.700 . 3.700 2.841 2.785 2.873 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
47 1 24 ALA H 1 24 ALA MB 2.560 . 3.420 2.135 2.038 2.274 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
48 1 25 ALA H 1 25 ALA MB 2.890 . 4.080 2.151 2.050 2.261 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
49 1 26 PHE H 1 26 PHE QD 3.130 . 4.560 4.068 3.844 4.164 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
50 1 26 PHE H 1 26 PHE QB 2.560 . 3.420 2.226 2.162 2.251 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
51 1 26 PHE H 1 26 PHE HA 2.710 . 3.730 2.819 2.757 2.844 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
52 1 27 ASP H 1 27 ASP HA 2.700 . 3.700 2.818 2.764 2.831 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
53 1 27 ASP H 1 27 ASP QB 2.750 . 3.810 2.335 2.075 2.738 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
54 1 28 MET H 1 28 MET QG 2.890 . 4.080 3.471 2.080 3.740 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
55 1 28 MET H 1 28 MET QB 2.670 . 3.630 2.115 2.066 2.577 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
56 1 28 MET H 1 28 MET HA 2.690 . 3.690 2.876 2.834 2.917 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
57 1 28 MET H 1 28 MET ME 3.850 . 6.000 4.390 3.651 5.024 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
58 1 29 PHE H 1 29 PHE QD 2.630 . 3.560 2.494 1.857 3.122 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
59 1 29 PHE H 1 29 PHE QB 2.650 . 3.590 2.646 2.244 3.061 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
60 1 29 PHE H 1 29 PHE HA 2.700 . 3.700 2.945 2.919 2.985 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
61 1 30 ASP H 1 30 ASP QB 2.650 . 3.610 2.475 2.169 2.895 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
62 1 30 ASP H 1 30 ASP HA 2.710 . 3.710 2.975 2.947 2.994 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
63 1 31 ALA H 1 31 ALA MB 2.770 . 3.830 2.161 2.059 2.275 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
64 1 31 ALA H 1 31 ALA HA 2.710 . 3.730 2.879 2.791 2.921 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
65 1 32 ASP H 1 32 ASP QB 2.800 . 3.900 2.315 2.076 2.885 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
66 1 32 ASP H 1 32 ASP HA 2.700 . 3.700 2.912 2.886 2.957 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
67 1 36 ASP H 1 36 ASP QB 2.910 . 4.120 3.274 2.807 3.391 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
68 1 36 ASP H 1 36 ASP HA 2.710 . 3.710 2.922 2.904 2.956 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
69 1 37 ILE H 1 37 ILE MG 3.850 . 6.000 1.991 1.781 2.702 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
70 1 37 ILE H 1 37 ILE QG 3.360 . 5.020 3.569 1.941 4.067 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
71 1 37 ILE H 1 37 ILE HB 3.510 . 5.320 3.541 3.250 3.909 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
72 1 37 ILE H 1 37 ILE MD 3.850 . 6.000 3.489 1.780 4.486 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
73 1 38 SER H 1 38 SER QB 2.540 . 3.380 2.458 2.077 2.999 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
74 1 38 SER H 1 38 SER HA 2.760 . 3.820 2.883 2.773 2.975 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
75 1 39 THR H 1 39 THR MG 3.740 . 5.780 1.995 1.791 2.790 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
76 1 40 LYS H 1 40 LYS QD 3.800 . 5.900 4.011 3.062 4.746 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
77 1 40 LYS H 1 40 LYS HA 2.690 . 3.690 2.873 2.828 2.915 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
78 1 40 LYS H 1 40 LYS QG 2.850 . 4.000 2.363 1.821 3.643 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
79 1 40 LYS H 1 40 LYS QB 2.620 . 3.540 2.435 2.069 2.759 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
80 1 41 ALA H 1 41 ALA MB 2.780 . 3.860 2.211 2.066 2.313 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
81 1 41 ALA H 1 41 ALA HA 2.710 . 3.710 2.933 2.886 2.954 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
82 1 42 LEU H 1 42 LEU MD1 3.850 . 6.000 3.310 2.134 3.932 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
83 1 42 LEU H 1 42 LEU MD2 3.690 . 5.670 2.810 1.758 4.132 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
84 1 42 LEU H 1 42 LEU HA 2.690 . 3.690 2.827 2.764 2.864 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
85 1 42 LEU H 1 42 LEU QB 2.560 . 3.420 2.136 2.058 2.306 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
86 1 44 THR H 1 44 THR HB 2.590 . 3.480 2.397 2.213 2.582 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
87 1 44 THR H 1 44 THR MG 3.650 . 5.590 3.719 2.692 3.779 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
88 1 45 VAL H 1 45 VAL MG2 2.840 . 3.980 2.037 1.819 2.561 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
89 1 45 VAL H 1 45 VAL MG1 3.330 . 4.960 3.757 3.705 3.778 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
90 1 45 VAL H 1 45 VAL HA 2.690 . 3.690 2.847 2.790 2.894 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
91 1 46 MET H 1 46 MET QG 2.630 . 3.560 2.317 1.814 3.113 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
92 1 46 MET H 1 46 MET QB 2.540 . 3.370 2.426 2.116 2.751 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
93 1 47 ARG H 1 47 ARG HA 2.690 . 3.680 2.851 2.770 2.930 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
94 1 48 MET H 1 48 MET HA 2.690 . 3.690 2.880 2.806 2.900 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
95 1 48 MET H 1 48 MET QG 2.830 . 3.960 2.911 1.800 3.560 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
96 1 48 MET H 1 48 MET ME 3.850 . 6.000 4.189 3.052 4.997 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
97 1 49 LEU H 1 49 LEU MD2 3.830 . 5.950 2.327 1.856 3.219 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
98 1 49 LEU H 1 49 LEU HG 2.710 . 3.730 2.019 1.836 3.769 0.039 19 0 "[ . 1 . 2 . 3 . 4]" 1
99 1 49 LEU H 1 49 LEU MD1 3.850 . 6.000 3.634 3.397 4.088 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
100 1 51 GLN H 1 51 GLN HA 2.700 . 3.700 2.883 2.761 2.993 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
101 1 51 GLN H 1 51 GLN QB 2.610 . 3.530 2.558 2.064 3.168 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
102 1 52 ASN H 1 52 ASN QB 2.790 . 3.880 2.827 2.451 3.296 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
103 1 52 ASN H 1 52 ASN HA 2.700 . 3.700 2.973 2.951 2.994 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
104 1 54 THR H 1 54 THR MG 2.870 . 4.040 2.366 1.845 3.225 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
105 1 54 THR H 1 54 THR HA 2.700 . 3.700 2.931 2.902 2.962 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
106 1 55 LYS H 1 55 LYS QB 2.570 . 3.440 2.253 2.065 2.778 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
107 1 55 LYS H 1 55 LYS HA 2.690 . 3.690 2.805 2.762 2.820 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
108 1 56 GLU H 1 56 GLU QG 3.180 . 4.660 3.278 1.889 4.066 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
109 1 56 GLU H 1 56 GLU HA 2.690 . 3.680 2.841 2.790 2.877 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
110 1 56 GLU H 1 56 GLU QB 2.600 . 3.500 2.232 2.062 2.653 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
111 1 58 LEU H 1 58 LEU QB 2.740 . 3.780 2.193 2.069 2.281 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
112 1 59 ASP H 1 59 ASP QB 2.670 . 3.650 2.199 2.056 2.485 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
113 1 59 ASP H 1 59 ASP HA 2.690 . 3.680 2.827 2.748 2.848 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
114 1 60 ALA H 1 60 ALA MB 2.750 . 3.790 2.127 2.040 2.258 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
115 1 60 ALA H 1 60 ALA HA 2.690 . 3.690 2.858 2.823 2.893 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
116 1 61 ILE H 1 61 ILE QG 2.780 . 3.860 2.547 2.366 2.779 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
117 1 61 ILE H 1 61 ILE MD 3.570 . 5.440 3.538 3.067 3.903 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
118 1 61 ILE H 1 61 ILE MG 3.470 . 5.240 3.710 3.628 3.741 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
119 1 61 ILE H 1 61 ILE HB 2.500 . 3.300 2.303 2.179 2.370 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
120 1 61 ILE H 1 61 ILE HA 2.700 . 3.700 2.879 2.831 2.919 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
121 1 62 ILE H 1 62 ILE HA 2.700 . 3.700 2.832 2.751 2.860 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
122 1 62 ILE H 1 62 ILE QG 2.480 . 3.250 2.244 1.870 2.889 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
123 1 62 ILE H 1 62 ILE HB 2.400 . 3.110 2.465 2.334 2.644 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
124 1 63 GLU H 1 63 GLU QG 3.200 . 4.700 3.321 1.953 4.038 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
125 1 63 GLU H 1 63 GLU QB 2.640 . 3.580 2.173 2.063 2.591 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
126 1 63 GLU H 1 63 GLU HA 2.690 . 3.680 2.874 2.865 2.878 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
127 1 64 GLU H 1 64 GLU QG 2.920 . 4.140 2.921 1.818 3.701 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
128 1 65 VAL H 1 65 VAL HA 2.690 . 3.690 2.951 2.910 2.970 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
129 1 66 ASP H 1 66 ASP QB 2.480 . 3.260 2.160 2.088 2.258 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
130 1 66 ASP H 1 66 ASP HA 2.710 . 3.710 2.941 2.902 2.964 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
131 1 67 GLU H 1 67 GLU QB 2.670 . 3.640 2.408 2.076 2.736 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
132 1 67 GLU H 1 67 GLU HA 2.690 . 3.690 2.869 2.829 2.879 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
133 1 67 GLU H 1 67 GLU QG 2.700 . 3.700 2.424 1.844 3.278 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
134 1 68 ASP H 1 68 ASP HA 2.690 . 3.690 2.963 2.930 2.982 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
135 1 68 ASP H 1 68 ASP QB 2.920 . 4.140 2.874 2.641 3.018 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
136 1 70 SER H 1 70 SER QB 2.760 . 3.820 2.727 2.441 2.942 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
137 1 72 THR H 1 72 THR HA 2.710 . 3.710 2.961 2.930 2.978 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
138 1 72 THR H 1 72 THR MG 3.100 . 4.500 3.520 2.679 3.750 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
139 1 73 ILE H 1 73 ILE MG 3.320 . 4.940 3.828 3.708 3.936 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
140 1 73 ILE H 1 73 ILE QG 2.730 . 3.770 2.637 2.257 3.086 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
141 1 73 ILE H 1 73 ILE HB 2.410 . 3.120 2.568 2.364 2.803 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
142 1 73 ILE H 1 73 ILE HA 2.740 . 3.780 2.987 2.970 2.995 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
143 1 73 ILE H 1 73 ILE MD 3.550 . 5.400 3.890 3.637 4.399 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
144 1 74 ASP H 1 74 ASP QB 2.790 . 3.890 2.630 2.312 3.188 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
145 1 74 ASP H 1 74 ASP HA 2.730 . 3.750 2.989 2.969 2.995 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
146 1 75 PHE H 1 75 PHE HA 2.710 . 3.720 2.789 2.737 2.814 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
147 1 75 PHE H 1 75 PHE QB 2.500 . 3.290 2.216 2.183 2.247 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
148 1 75 PHE H 1 75 PHE QD 3.070 . 4.440 3.987 3.894 4.042 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
149 1 76 GLU H 1 76 GLU QB 2.650 . 3.600 2.433 2.103 2.741 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
150 1 76 GLU H 1 76 GLU QG 2.680 . 3.660 2.344 1.872 3.185 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
151 1 76 GLU H 1 76 GLU HA 2.690 . 3.690 2.856 2.811 2.917 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
152 1 77 GLU H 1 77 GLU QG 2.690 . 3.670 2.162 1.863 2.586 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
153 1 77 GLU H 1 77 GLU QB 2.650 . 3.610 2.471 2.325 2.624 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
154 1 78 PHE H 1 78 PHE HA 2.700 . 3.700 2.875 2.833 2.880 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
155 1 78 PHE H 1 78 PHE QD 2.900 . 4.100 3.679 3.591 3.744 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
156 1 78 PHE H 1 78 PHE QB 2.540 . 3.380 2.096 2.077 2.109 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
157 1 79 LEU H 1 79 LEU QB 2.690 . 3.670 2.604 2.502 2.682 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
158 1 79 LEU H 1 79 LEU HG 2.560 . 3.430 1.869 1.836 2.022 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
159 1 79 LEU H 1 79 LEU HA 2.690 . 3.690 2.795 2.758 2.856 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
160 1 80 VAL H 1 80 VAL MG2 2.790 . 3.880 2.312 1.901 2.597 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
161 1 80 VAL H 1 80 VAL HB 2.500 . 3.290 2.441 2.251 2.642 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
162 1 80 VAL H 1 80 VAL HA 2.690 . 3.680 2.880 2.821 2.892 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
163 1 81 MET H 1 81 MET ME 3.850 . 6.000 3.714 2.526 4.447 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
164 1 81 MET H 1 81 MET QB 2.590 . 3.480 2.257 2.089 2.721 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
165 1 81 MET H 1 81 MET HA 2.690 . 3.690 2.820 2.758 2.867 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
166 1 81 MET H 1 81 MET QG 3.040 . 4.380 3.530 1.809 3.978 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
167 1 82 MET H 1 82 MET QB 2.660 . 3.620 2.408 2.064 2.732 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
168 1 82 MET H 1 82 MET HA 2.690 . 3.690 2.866 2.802 2.897 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
169 1 82 MET H 1 82 MET QG 2.840 . 3.980 2.539 1.837 3.758 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
170 1 83 VAL H 1 83 VAL HB 2.440 . 3.170 2.701 2.520 2.869 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
171 1 83 VAL H 1 83 VAL MG2 2.850 . 4.000 1.980 1.827 2.207 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
172 1 83 VAL H 1 83 VAL HA 2.690 . 3.690 2.848 2.808 2.904 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
173 1 83 VAL H 1 83 VAL MG1 3.290 . 4.880 3.751 3.706 3.779 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
174 1 84 ARG H 1 84 ARG QG 3.040 . 4.380 3.607 2.452 4.013 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
175 1 84 ARG H 1 84 ARG HA 2.690 . 3.680 2.853 2.774 2.878 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
176 1 84 ARG H 1 84 ARG QB 2.670 . 3.650 2.153 2.063 2.370 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
177 1 84 ARG H 1 84 ARG QD 3.770 . 5.830 3.887 2.708 4.739 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
178 1 85 GLN H 1 85 GLN QB 2.640 . 3.580 2.484 2.085 3.198 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
179 1 85 GLN H 1 85 GLN QG 2.910 . 4.120 3.005 1.854 3.786 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
180 1 86 MET H 1 86 MET QG 2.800 . 3.900 2.722 2.089 3.472 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
181 1 86 MET H 1 86 MET HA 2.690 . 3.680 2.881 2.759 2.989 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
182 1 87 LYS H 1 87 LYS HA 2.690 . 3.680 2.916 2.763 2.994 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
183 1 87 LYS H 1 87 LYS QG 2.960 . 4.220 3.034 1.855 3.811 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
184 1 88 GLU H 1 88 GLU QB 2.750 . 3.810 2.769 2.086 3.410 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
185 1 88 GLU H 1 88 GLU HA 2.690 . 3.690 2.767 2.343 2.993 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
186 1 89 ASP H 1 89 ASP QB 3.390 . 5.080 2.723 2.162 3.471 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
187 1 90 ALA H 1 90 ALA HA 2.710 . 3.720 2.805 2.346 2.991 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
188 1 90 ALA H 1 90 ALA MB 2.700 . 3.700 2.612 2.044 2.983 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
189 1 6 GLN HE22 1 6 GLN QG 3.200 . 4.700 3.417 3.273 3.527 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
190 1 7 GLN HE21 1 7 GLN QG 3.040 . 4.380 2.352 2.217 2.878 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
191 1 52 ASN QB 1 52 ASN HD22 3.190 . 4.680 3.351 3.273 3.504 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
192 1 85 GLN HE22 1 85 GLN QG 3.120 . 4.540 3.372 3.274 3.520 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
193 1 85 GLN HA 1 85 GLN HE22 3.540 . 5.370 4.604 2.945 5.382 0.012 39 0 "[ . 1 . 2 . 3 . 4]" 1
194 1 3 MET H 1 3 MET ME 4.350 . 7.000 3.789 2.040 5.350 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
195 1 4 THR H 1 4 THR HB 4.100 . 6.500 3.603 3.450 4.063 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
196 1 6 GLN QB 1 6 GLN HE22 4.100 . 6.500 3.436 3.096 4.101 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
197 1 9 GLU H 1 9 GLU QG 4.100 . 6.500 3.407 1.936 4.055 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
198 1 22 PHE H 1 22 PHE QE 4.100 . 6.500 4.385 3.853 4.906 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
199 1 23 LYS H 1 23 LYS QD 4.100 . 6.500 4.288 4.064 4.593 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
200 1 45 VAL H 1 45 VAL HB 4.100 . 6.500 2.609 2.343 2.865 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
201 1 47 ARG H 1 47 ARG QD 4.100 . 6.500 4.178 2.005 4.916 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
202 1 51 GLN HA 1 51 GLN HE22 4.100 . 6.500 5.494 3.870 6.511 0.011 22 0 "[ . 1 . 2 . 3 . 4]" 1
203 1 58 LEU H 1 58 LEU HG 4.100 . 6.500 4.258 3.405 4.585 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
204 1 79 LEU H 1 79 LEU MD1 4.350 . 7.000 3.391 2.547 3.565 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
205 1 79 LEU H 1 79 LEU MD2 4.350 . 7.000 3.075 2.582 3.583 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
206 1 80 VAL H 1 80 VAL MG1 4.350 . 7.000 3.753 3.683 3.779 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
207 1 84 ARG QB 1 84 ARG HE 4.100 . 6.500 3.699 1.898 4.373 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
208 1 85 GLN HA 1 85 GLN HE21 4.100 . 6.500 3.735 2.216 5.021 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
209 1 87 LYS H 1 87 LYS QD 4.100 . 6.500 4.238 1.879 5.232 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
210 1 88 GLU H 1 88 GLU QG 4.100 . 6.500 3.305 1.870 4.399 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
211 1 31 ALA HA 1 31 ALA MB 2.490 . 3.280 2.129 2.105 2.151 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
212 1 30 ASP HA 1 30 ASP QB 2.630 . 3.570 2.376 2.190 2.548 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
213 1 32 ASP HA 1 32 ASP QB 2.600 . 3.500 2.410 2.187 2.548 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
214 1 36 ASP HA 1 36 ASP QB 2.620 . 3.540 2.207 2.182 2.464 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
215 1 5 ASP HA 1 5 ASP QB 2.650 . 3.600 2.370 2.189 2.533 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
216 1 68 ASP HA 1 68 ASP QB 2.600 . 3.500 2.198 2.175 2.281 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
217 1 74 ASP HA 1 74 ASP QB 2.650 . 3.590 2.372 2.183 2.546 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
218 1 16 GLU HA 1 16 GLU QG 3.400 . 5.100 2.409 1.902 3.383 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
219 1 17 GLU HA 1 17 GLU QG 2.800 . 3.900 2.400 1.905 3.343 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
220 1 21 GLU HA 1 21 GLU QG 3.020 . 4.330 2.466 1.960 3.301 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
221 1 56 GLU HA 1 56 GLU QG 3.280 . 4.860 2.272 1.900 3.295 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
222 1 57 GLU HA 1 57 GLU QB 2.600 . 3.500 2.466 2.193 2.545 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
223 1 64 GLU HA 1 64 GLU QG 3.330 . 4.960 2.353 1.896 3.304 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
224 1 67 GLU HA 1 67 GLU QG 3.320 . 4.940 2.887 1.960 3.367 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
225 1 76 GLU HA 1 76 GLU QG 3.500 . 5.300 2.559 1.949 3.311 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
226 1 77 GLU HA 1 77 GLU QG 2.640 . 3.580 2.405 2.274 2.583 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
227 1 77 GLU QB 1 77 GLU QG 2.310 . 2.930 2.105 2.089 2.109 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
228 1 9 GLU HA 1 9 GLU QG 3.440 . 5.180 2.252 1.940 3.304 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
229 1 13 PHE HA 1 13 PHE QB 2.630 . 3.570 2.359 2.298 2.419 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
230 1 26 PHE HA 1 26 PHE QB 2.670 . 3.650 2.410 2.275 2.486 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
231 1 19 ILE HA 1 19 ILE HB 2.770 . 3.850 3.027 3.020 3.034 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
232 1 19 ILE HA 1 19 ILE QG 2.330 . 2.970 2.253 2.185 2.355 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
233 1 19 ILE HA 1 19 ILE MG 2.690 . 3.680 2.433 2.373 2.527 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
234 1 19 ILE HA 1 19 ILE MD 3.080 . 4.460 3.694 3.631 3.739 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
235 1 19 ILE HB 1 19 ILE MD 2.680 . 3.660 2.080 1.887 2.479 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
236 1 19 ILE MD 1 19 ILE MG 2.810 . 3.930 2.470 1.513 2.743 0.187 34 0 "[ . 1 . 2 . 3 . 4]" 1
237 1 19 ILE QG 1 19 ILE MG 2.520 . 3.350 2.120 1.913 2.389 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
238 1 37 ILE HA 1 37 ILE HB 2.610 . 3.530 2.301 2.245 2.526 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
239 1 37 ILE HA 1 37 ILE MG 3.180 . 4.660 2.951 2.344 3.153 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
240 1 37 ILE HB 1 37 ILE MD 3.100 . 4.500 2.785 2.223 3.196 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
241 1 37 ILE MD 1 37 ILE MG 3.230 . 4.760 1.720 1.459 1.993 0.241 34 0 "[ . 1 . 2 . 3 . 4]" 1
242 1 61 ILE HA 1 61 ILE HB 2.730 . 3.750 3.019 2.991 3.027 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
243 1 61 ILE HA 1 61 ILE MD 3.370 . 5.040 3.760 3.678 3.804 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
244 1 61 ILE HA 1 61 ILE QG 2.650 . 3.590 2.278 2.156 2.340 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
245 1 61 ILE HA 1 61 ILE MG 2.790 . 3.870 2.517 2.438 2.704 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
246 1 61 ILE HB 1 61 ILE MD 2.870 . 4.040 2.240 1.974 2.476 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
247 1 61 ILE MD 1 61 ILE MG 2.890 . 4.080 2.014 1.605 2.449 0.095 27 0 "[ . 1 . 2 . 3 . 4]" 1
248 1 61 ILE HB 1 61 ILE QG 2.640 . 3.580 2.415 2.323 2.509 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
249 1 61 ILE QG 1 61 ILE MG 3.010 . 4.320 2.242 2.080 2.391 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
250 1 62 ILE HA 1 62 ILE HB 2.790 . 3.880 3.030 3.022 3.036 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
251 1 62 ILE HA 1 62 ILE QG 2.420 . 3.140 2.345 2.127 2.477 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
252 1 62 ILE HA 1 62 ILE MD 3.230 . 4.760 3.778 3.274 3.879 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
253 1 62 ILE HA 1 62 ILE MG 2.650 . 3.600 2.410 2.202 2.504 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
254 1 62 ILE QG 1 62 ILE MG 2.910 . 4.120 2.173 1.903 2.358 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
255 1 73 ILE HA 1 73 ILE MD 2.960 . 4.210 2.247 1.934 3.584 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
256 1 73 ILE HB 1 73 ILE MD 2.800 . 3.900 3.116 2.561 3.189 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
257 1 73 ILE HA 1 73 ILE MG 3.380 . 5.060 2.343 2.187 2.513 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
258 1 73 ILE MD 1 73 ILE MG 3.670 . 5.630 1.741 1.531 1.902 0.169 26 0 "[ . 1 . 2 . 3 . 4]" 1
259 1 23 LYS HA 1 23 LYS QD 2.770 . 3.840 2.347 1.861 3.426 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
260 1 23 LYS HA 1 23 LYS QG 3.600 . 5.500 2.561 1.959 3.071 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
261 1 40 LYS HA 1 40 LYS QD 3.650 . 5.590 3.877 2.852 4.528 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
262 1 40 LYS HA 1 40 LYS QG 3.000 . 4.300 2.765 1.991 3.333 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
263 1 40 LYS QE 1 40 LYS QG 3.290 . 4.870 2.100 1.876 2.535 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
264 1 55 LYS HA 1 55 LYS QD 3.450 . 5.200 3.608 2.132 4.339 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
265 1 55 LYS HA 1 55 LYS QB 2.560 . 3.410 2.434 2.180 2.546 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
266 1 14 LEU HA 1 14 LEU QB 2.660 . 3.620 2.339 2.288 2.405 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
267 1 14 LEU HA 1 14 LEU MD2 2.830 . 3.960 2.147 1.862 2.467 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
268 1 14 LEU QB 1 14 LEU MD1 2.750 . 3.790 2.064 2.006 2.114 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
269 1 14 LEU HA 1 14 LEU MD1 3.270 . 4.840 3.873 3.748 3.939 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
270 1 14 LEU HA 1 14 LEU HG 2.570 . 3.440 2.977 2.870 3.074 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
271 1 49 LEU HA 1 49 LEU MD1 3.850 . 6.000 3.707 2.095 4.052 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
272 1 49 LEU HA 1 49 LEU MD2 3.040 . 4.380 2.131 1.826 3.613 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
273 1 49 LEU HA 1 49 LEU HG 3.340 . 4.980 3.457 3.134 3.609 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
274 1 49 LEU MD1 1 49 LEU MD2 2.670 . 3.650 2.002 1.849 2.079 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
275 1 58 LEU HA 1 58 LEU QB 2.560 . 3.420 2.464 2.321 2.548 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
276 1 58 LEU HA 1 58 LEU MD1 2.970 . 4.240 2.874 1.880 3.534 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
277 1 58 LEU HA 1 58 LEU HG 3.100 . 4.500 2.393 1.939 3.549 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
278 1 58 LEU QB 1 58 LEU MD1 2.770 . 3.850 2.048 1.894 2.330 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
279 1 79 LEU HA 1 79 LEU MD2 2.570 . 3.440 2.002 1.840 2.847 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
280 1 79 LEU QB 1 79 LEU MD1 2.820 . 3.940 2.086 1.885 2.114 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
281 1 79 LEU QB 1 79 LEU MD2 3.100 . 4.500 2.245 2.072 2.345 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
282 1 79 LEU QB 1 79 LEU HG 2.530 . 3.360 2.398 2.332 2.544 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
283 1 79 LEU MD1 1 79 LEU MD2 2.500 . 3.310 2.031 1.877 2.080 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
284 1 18 MET HA 1 18 MET QG 2.850 . 4.000 2.219 1.909 2.705 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
285 1 18 MET HA 1 18 MET ME 3.850 . 6.000 4.155 2.480 4.711 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
286 1 18 MET ME 1 18 MET QG 2.850 . 4.000 2.094 1.880 2.342 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
287 1 28 MET HA 1 28 MET ME 3.850 . 6.000 3.908 2.847 5.026 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
288 1 28 MET HA 1 28 MET QG 3.390 . 5.080 2.343 1.913 3.390 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
289 1 3 MET HA 1 3 MET ME 3.850 . 6.000 4.077 1.900 4.994 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
290 1 3 MET HA 1 3 MET QG 3.410 . 5.120 2.800 1.899 3.416 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
291 1 3 MET QB 1 3 MET ME 3.360 . 5.020 2.743 1.840 3.595 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
292 1 46 MET HA 1 46 MET QG 2.730 . 3.750 2.504 1.936 3.305 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
293 1 48 MET HA 1 48 MET ME 3.620 . 5.540 4.127 3.345 4.567 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
294 1 48 MET HA 1 48 MET QG 2.930 . 4.160 2.411 1.913 3.400 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
295 1 81 MET HA 1 81 MET QG 3.000 . 4.300 2.245 1.986 3.278 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
296 1 52 ASN HA 1 52 ASN QB 2.630 . 3.570 2.342 2.182 2.547 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
297 1 51 GLN HA 1 51 GLN QB 2.650 . 3.590 2.394 2.195 2.547 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
298 1 51 GLN HA 1 51 GLN QG 2.980 . 4.250 2.517 1.912 3.357 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
299 1 6 GLN HA 1 6 GLN QG 2.940 . 4.180 2.482 1.898 3.305 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
300 1 7 GLN HA 1 7 GLN QG 3.340 . 4.980 2.566 2.076 3.305 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
301 1 11 ARG HA 1 11 ARG QD 3.850 . 6.000 3.751 2.948 4.255 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
302 1 11 ARG HA 1 11 ARG QG 2.610 . 3.530 2.172 1.915 3.275 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
303 1 47 ARG HA 1 47 ARG QG 2.770 . 3.830 2.315 1.981 3.393 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
304 1 84 ARG HA 1 84 ARG QD 3.850 . 6.000 3.371 2.093 4.583 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
305 1 84 ARG HA 1 84 ARG QG 3.380 . 5.060 2.175 1.925 3.294 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
306 1 15 SER HA 1 15 SER QB 2.580 . 3.460 2.350 2.168 2.547 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
307 1 38 SER HA 1 38 SER QB 2.560 . 3.420 2.347 2.169 2.548 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
308 1 39 THR HA 1 39 THR HB 2.620 . 3.540 2.424 2.309 2.701 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
309 1 39 THR HA 1 39 THR MG 2.790 . 3.880 2.460 2.085 2.589 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
310 1 4 THR HA 1 4 THR HB 2.610 . 3.520 2.560 2.349 2.831 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
311 1 4 THR HA 1 4 THR MG 2.830 . 3.950 2.235 1.950 2.563 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
312 1 54 THR HA 1 54 THR HB 2.600 . 3.500 2.521 2.352 2.757 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
313 1 54 THR HA 1 54 THR MG 2.860 . 4.020 2.661 1.992 3.199 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
314 1 72 THR HA 1 72 THR HB 2.630 . 3.570 2.685 2.374 2.803 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
315 1 72 THR HA 1 72 THR MG 3.040 . 4.370 2.123 1.926 2.536 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
316 1 65 VAL HA 1 65 VAL MG2 2.770 . 3.830 2.377 2.137 2.596 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
317 1 65 VAL HA 1 65 VAL HB 2.750 . 3.810 3.031 2.993 3.036 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
318 1 65 VAL HA 1 65 VAL MG1 2.560 . 3.420 2.318 2.116 2.435 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
319 1 80 VAL HA 1 80 VAL HB 2.830 . 3.960 3.030 3.012 3.036 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
320 1 80 VAL HA 1 80 VAL MG1 2.650 . 3.610 2.367 2.164 2.541 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
321 1 80 VAL HA 1 80 VAL MG2 2.940 . 4.180 2.282 2.121 2.496 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
322 1 83 VAL HA 1 83 VAL HB 2.690 . 3.690 3.025 2.998 3.034 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
323 1 83 VAL HA 1 83 VAL MG1 2.710 . 3.720 2.222 2.046 2.376 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
324 1 83 VAL HA 1 83 VAL MG2 2.640 . 3.580 2.425 2.239 2.561 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
325 1 83 VAL MG1 1 83 VAL MG2 2.680 . 3.660 1.962 1.839 2.075 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
326 1 13 PHE HA 1 13 PHE QD 2.970 . 4.240 2.673 1.970 3.093 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
327 1 13 PHE HA 1 13 PHE QE 3.850 . 6.000 4.539 4.190 4.770 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
328 1 26 PHE HA 1 26 PHE QD 2.950 . 4.200 2.418 2.003 3.125 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
329 1 26 PHE QB 1 26 PHE QD 2.880 . 4.050 2.162 2.141 2.199 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
330 1 29 PHE HA 1 29 PHE QD 2.680 . 3.660 2.791 1.857 3.360 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
331 1 29 PHE QB 1 29 PHE QD 2.790 . 3.880 2.172 2.146 2.369 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
332 1 75 PHE HA 1 75 PHE QD 2.590 . 3.480 1.938 1.837 2.153 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
333 1 75 PHE QB 1 75 PHE QD 2.670 . 3.640 2.197 2.172 2.219 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
334 1 75 PHE QB 1 75 PHE QE 3.850 . 6.000 3.983 3.975 3.988 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
335 1 78 PHE HA 1 78 PHE QD 2.760 . 3.820 3.023 2.617 3.311 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
336 1 78 PHE QB 1 78 PHE QD 2.870 . 4.040 2.147 2.142 2.152 . 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 332
_Distance_constraint_stats_list.Viol_count 91
_Distance_constraint_stats_list.Viol_total 171.507
_Distance_constraint_stats_list.Viol_max 0.146
_Distance_constraint_stats_list.Viol_rms 0.0053
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0003
_Distance_constraint_stats_list.Viol_average_violations_only 0.0471
_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 1 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 2 SER 0.044 0.039 3 0 "[ . 1 . 2 . 3 . 4]"
1 3 MET 0.044 0.039 3 0 "[ . 1 . 2 . 3 . 4]"
1 4 THR 0.005 0.005 6 0 "[ . 1 . 2 . 3 . 4]"
1 5 ASP 0.005 0.005 6 0 "[ . 1 . 2 . 3 . 4]"
1 6 GLN 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 7 GLN 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 8 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 9 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 10 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 11 ARG 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 12 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 13 PHE 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 14 LEU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 15 SER 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 16 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 17 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 18 MET 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 19 ILE 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 20 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 21 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 22 PHE 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 23 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 24 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 25 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 26 PHE 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 27 ASP 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 28 MET 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 29 PHE 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 30 ASP 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 31 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 32 ASP 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 33 GLY 0.266 0.094 21 0 "[ . 1 . 2 . 3 . 4]"
1 34 GLY 0.266 0.094 21 0 "[ . 1 . 2 . 3 . 4]"
1 35 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 36 ASP 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 37 ILE 2.790 0.146 11 0 "[ . 1 . 2 . 3 . 4]"
1 38 SER 2.790 0.146 11 0 "[ . 1 . 2 . 3 . 4]"
1 39 THR 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 40 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 41 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 42 LEU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 43 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 44 THR 0.061 0.061 34 0 "[ . 1 . 2 . 3 . 4]"
1 45 VAL 0.061 0.061 34 0 "[ . 1 . 2 . 3 . 4]"
1 46 MET 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 47 ARG 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 48 MET 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 49 LEU 0.048 0.048 30 0 "[ . 1 . 2 . 3 . 4]"
1 50 GLY 0.056 0.048 30 0 "[ . 1 . 2 . 3 . 4]"
1 51 GLN 0.008 0.008 16 0 "[ . 1 . 2 . 3 . 4]"
1 52 ASN 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 53 PRO 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 54 THR 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 55 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 56 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 57 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 58 LEU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 59 ASP 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 60 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 61 ILE 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 62 ILE 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 63 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 64 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 65 VAL 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 66 ASP 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 67 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 68 ASP 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 69 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 70 SER 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 71 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 72 THR 0.010 0.008 36 0 "[ . 1 . 2 . 3 . 4]"
1 73 ILE 0.713 0.039 14 0 "[ . 1 . 2 . 3 . 4]"
1 74 ASP 0.703 0.039 14 0 "[ . 1 . 2 . 3 . 4]"
1 75 PHE 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 76 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 77 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 78 PHE 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 79 LEU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 80 VAL 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 81 MET 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 82 MET 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 83 VAL 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 84 ARG 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 85 GLN 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 86 MET 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 87 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 88 GLU 0.133 0.060 10 0 "[ . 1 . 2 . 3 . 4]"
1 89 ASP 0.352 0.107 20 0 "[ . 1 . 2 . 3 . 4]"
1 90 ALA 0.219 0.107 20 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 SER QB 1 3 MET H 3.850 . 6.000 2.770 1.835 4.047 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
2 1 3 MET H 1 4 THR H 3.850 . 6.000 3.832 2.183 4.532 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
3 1 2 SER HA 1 3 MET H 3.020 . 4.340 2.638 2.191 3.585 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
4 1 3 MET HA 1 4 THR H 2.360 . 3.030 2.344 2.188 2.926 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
5 1 3 MET QG 1 4 THR H 3.640 . 5.580 4.009 2.035 4.903 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
6 1 4 THR HB 1 5 ASP H 2.480 . 3.260 2.762 2.131 3.265 0.005 6 0 "[ . 1 . 2 . 3 . 4]" 2
7 1 4 THR H 1 5 ASP H 3.360 . 5.020 4.637 4.281 4.701 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
8 1 5 ASP H 1 6 GLN H 2.810 . 3.910 2.637 2.552 2.798 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
9 1 4 THR HA 1 5 ASP H 2.440 . 3.190 2.371 2.212 2.663 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
10 1 4 THR MG 1 5 ASP H 3.640 . 5.580 3.637 2.927 4.153 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
11 1 5 ASP HA 1 6 GLN H 2.890 . 4.080 3.489 3.377 3.581 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
12 1 5 ASP QB 1 6 GLN H 2.840 . 3.980 2.909 2.358 3.554 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
13 1 6 GLN H 1 7 GLN H 2.710 . 3.720 2.770 2.609 2.963 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
14 1 7 GLN H 1 8 ALA H 2.650 . 3.590 2.455 2.412 2.528 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
15 1 6 GLN HA 1 7 GLN H 3.060 . 4.410 3.555 3.485 3.588 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
16 1 7 GLN H 1 8 ALA MB 3.850 . 6.000 4.114 4.033 4.207 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
17 1 7 GLN HA 1 8 ALA H 3.120 . 4.540 3.461 3.403 3.546 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
18 1 8 ALA H 1 9 GLU H 2.860 . 4.020 2.634 2.521 2.991 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
19 1 7 GLN QB 1 8 ALA H 2.910 . 4.120 3.046 2.629 3.682 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
20 1 7 GLN QG 1 8 ALA H 3.740 . 5.780 3.909 2.114 4.663 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
21 1 8 ALA MB 1 9 GLU H 3.290 . 4.870 2.548 1.945 2.991 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
22 1 9 GLU H 1 10 ALA H 2.970 . 4.240 2.470 2.332 2.948 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
23 1 9 GLU QB 1 10 ALA H 3.210 . 4.710 2.789 2.285 3.521 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
24 1 11 ARG H 1 12 ALA H 2.660 . 3.620 2.621 2.550 2.905 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
25 1 10 ALA MB 1 11 ARG H 2.950 . 4.200 2.303 2.003 2.666 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
26 1 12 ALA H 1 13 PHE H 2.770 . 3.830 2.593 2.448 2.767 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
27 1 11 ARG HA 1 12 ALA H 2.980 . 4.250 3.506 3.455 3.579 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
28 1 13 PHE H 1 14 LEU MD2 3.850 . 6.000 4.959 4.831 5.007 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
29 1 13 PHE H 1 14 LEU HG 3.200 . 4.700 3.759 3.550 3.939 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
30 1 12 ALA HA 1 13 PHE H 2.920 . 4.130 3.527 3.491 3.563 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
31 1 13 PHE H 1 14 LEU MD1 3.850 . 6.000 4.679 4.134 4.991 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
32 1 13 PHE QB 1 14 LEU H 2.790 . 3.870 2.919 2.669 3.220 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
33 1 13 PHE HA 1 14 LEU H 2.710 . 3.720 3.480 3.385 3.543 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
34 1 13 PHE H 1 14 LEU H 2.520 . 3.340 2.329 2.278 2.450 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
35 1 14 LEU QB 1 15 SER H 2.860 . 4.020 3.045 2.454 3.418 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
36 1 14 LEU MD2 1 15 SER H 3.270 . 4.840 3.627 3.133 4.032 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
37 1 14 LEU HA 1 15 SER H 2.290 . 2.870 2.245 2.188 2.468 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
38 1 15 SER QB 1 16 GLU H 2.750 . 3.790 2.714 2.307 3.389 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
39 1 16 GLU H 1 17 GLU H 2.830 . 3.970 2.731 2.663 2.878 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
40 1 15 SER HA 1 16 GLU H 2.420 . 3.150 2.418 2.242 2.560 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
41 1 15 SER H 1 16 GLU H 3.600 . 5.500 4.605 4.543 4.676 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
42 1 17 GLU H 1 18 MET H 2.870 . 4.040 2.665 2.567 3.031 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
43 1 16 GLU HA 1 17 GLU H 3.200 . 4.700 3.506 3.422 3.577 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
44 1 18 MET H 1 19 ILE H 2.770 . 3.830 2.619 2.213 2.866 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
45 1 18 MET QB 1 19 ILE H 2.890 . 4.080 2.527 2.116 3.111 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
46 1 19 ILE MG 1 20 ALA H 3.560 . 5.420 3.455 2.915 3.692 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
47 1 19 ILE H 1 20 ALA H 2.790 . 3.880 2.699 2.329 2.981 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
48 1 19 ILE HA 1 20 ALA H 3.350 . 5.000 3.512 3.446 3.587 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
49 1 21 GLU H 1 22 PHE H 2.770 . 3.840 2.641 2.455 2.831 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
50 1 20 ALA MB 1 21 GLU H 3.310 . 4.920 2.617 2.141 2.962 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
51 1 22 PHE H 1 23 LYS H 2.660 . 3.620 2.677 2.539 2.866 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
52 1 22 PHE QB 1 23 LYS H 2.870 . 4.040 2.751 2.563 3.000 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
53 1 23 LYS H 1 24 ALA H 2.580 . 3.470 2.718 2.606 2.888 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
54 1 22 PHE HA 1 23 LYS H 3.100 . 4.500 3.523 3.464 3.570 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
55 1 23 LYS QB 1 24 ALA H 2.770 . 3.840 2.796 2.369 3.223 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
56 1 23 LYS QG 1 24 ALA H 3.730 . 5.760 4.061 3.235 4.713 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
57 1 24 ALA H 1 25 ALA H 2.670 . 3.630 2.683 2.377 2.908 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
58 1 23 LYS HA 1 24 ALA H 3.080 . 4.460 3.508 3.375 3.574 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
59 1 25 ALA H 1 26 PHE H 2.730 . 3.750 2.608 2.436 2.928 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
60 1 24 ALA MB 1 25 ALA H 3.140 . 4.580 2.585 2.223 2.905 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
61 1 25 ALA H 1 26 PHE QB 3.980 . 6.250 4.339 4.185 4.580 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
62 1 26 PHE H 1 27 ASP H 2.790 . 3.870 3.022 2.700 3.265 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
63 1 25 ALA MB 1 26 PHE H 2.990 . 4.280 2.639 1.974 3.064 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
64 1 27 ASP H 1 28 MET H 2.770 . 3.830 2.768 2.720 2.958 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
65 1 26 PHE HA 1 27 ASP H 3.190 . 4.670 3.576 3.478 3.591 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
66 1 26 PHE QD 1 27 ASP H 3.080 . 4.460 3.295 2.450 3.968 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
67 1 26 PHE QB 1 27 ASP H 2.680 . 3.660 2.132 1.854 3.013 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
68 1 28 MET H 1 29 PHE H 2.810 . 3.910 2.694 2.436 3.135 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
69 1 29 PHE H 1 30 ASP H 2.530 . 3.360 2.562 2.323 3.210 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
70 1 28 MET QB 1 29 PHE H 2.900 . 4.090 2.635 1.902 3.637 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
71 1 28 MET QG 1 29 PHE H 3.650 . 5.600 3.926 2.259 4.578 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
72 1 29 PHE HA 1 30 ASP H 2.850 . 4.000 3.255 2.804 3.569 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
73 1 29 PHE QB 1 30 ASP H 3.120 . 4.540 3.432 2.520 4.067 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
74 1 30 ASP H 1 31 ALA H 3.140 . 4.580 3.418 2.025 4.302 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
75 1 29 PHE QD 1 30 ASP H 3.350 . 5.000 4.278 2.872 4.537 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
76 1 31 ALA H 1 32 ASP H 2.870 . 4.040 2.663 2.438 3.300 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
77 1 30 ASP HA 1 31 ALA H 2.560 . 3.410 2.610 2.215 3.269 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
78 1 32 ASP H 1 33 GLY H 2.600 . 3.500 2.571 2.308 3.476 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
79 1 31 ALA HA 1 32 ASP H 2.970 . 4.240 3.458 3.148 3.587 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
80 1 31 ALA MB 1 32 ASP H 3.100 . 4.500 2.834 1.926 3.530 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
81 1 32 ASP HA 1 33 GLY H 3.060 . 4.410 3.467 3.208 3.584 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
82 1 32 ASP QB 1 33 GLY H 3.610 . 5.520 2.943 1.826 3.842 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
83 1 34 GLY H 1 35 GLY H 3.160 . 4.620 2.432 2.114 2.766 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
84 1 33 GLY H 1 34 GLY H 3.120 . 4.540 2.684 2.152 4.634 0.094 21 0 "[ . 1 . 2 . 3 . 4]" 2
85 1 34 GLY QA 1 35 GLY H 3.810 . 5.920 2.890 2.632 2.940 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
86 1 35 GLY H 1 36 ASP H 2.780 . 3.860 2.312 2.019 2.760 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
87 1 35 GLY QA 1 36 ASP H 2.770 . 3.850 2.845 2.537 2.939 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
88 1 36 ASP H 1 37 ILE H 3.850 . 6.000 4.241 3.949 4.402 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
89 1 36 ASP QB 1 37 ILE H 3.380 . 5.060 2.974 2.334 3.528 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
90 1 36 ASP HA 1 37 ILE H 3.020 . 4.340 2.271 2.192 2.488 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
91 1 37 ILE HB 1 38 SER H 2.540 . 3.390 3.441 3.137 3.536 0.146 11 0 "[ . 1 . 2 . 3 . 4]" 2
92 1 38 SER HA 1 39 THR H 3.020 . 4.330 2.290 2.228 2.410 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
93 1 39 THR H 1 40 LYS H 3.110 . 4.520 2.645 2.541 2.702 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
94 1 40 LYS H 1 41 ALA H 2.660 . 3.620 2.606 2.455 2.847 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
95 1 40 LYS H 1 41 ALA MB 3.850 . 6.000 4.303 4.039 4.526 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
96 1 39 THR MG 1 40 LYS H 3.850 . 6.000 3.896 3.651 4.292 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
97 1 40 LYS QG 1 41 ALA H 3.270 . 4.840 3.154 1.774 4.354 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
98 1 41 ALA H 1 42 LEU H 2.570 . 3.440 2.411 2.257 2.606 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
99 1 40 LYS HA 1 41 ALA H 2.890 . 4.080 3.513 3.377 3.584 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
100 1 41 ALA HA 1 42 LEU H 2.980 . 4.250 3.400 3.280 3.508 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
101 1 42 LEU H 1 43 GLY H 3.020 . 4.330 2.792 2.634 2.998 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
102 1 41 ALA MB 1 42 LEU H 3.350 . 5.000 3.088 2.857 3.344 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
103 1 43 GLY H 1 44 THR H 2.870 . 4.040 2.797 2.408 2.970 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
104 1 44 THR H 1 45 VAL MG2 3.850 . 6.000 3.842 3.577 4.240 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
105 1 44 THR H 1 45 VAL H 2.690 . 3.670 2.548 2.434 2.658 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
106 1 43 GLY QA 1 44 THR H 3.140 . 4.580 2.744 2.588 2.881 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
107 1 45 VAL H 1 46 MET H 2.640 . 3.580 2.779 2.565 3.108 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
108 1 44 THR HB 1 45 VAL H 2.540 . 3.370 2.727 2.346 3.431 0.061 34 0 "[ . 1 . 2 . 3 . 4]" 2
109 1 44 THR MG 1 45 VAL H 3.430 . 5.160 3.370 1.798 3.692 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
110 1 45 VAL MG2 1 46 MET H 3.810 . 5.920 3.730 3.312 4.047 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
111 1 45 VAL MG1 1 46 MET H 3.300 . 4.900 3.482 2.838 4.071 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
112 1 46 MET H 1 47 ARG H 2.700 . 3.700 2.865 2.568 3.178 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
113 1 45 VAL HA 1 46 MET H 3.060 . 4.420 3.551 3.429 3.588 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
114 1 47 ARG H 1 48 MET H 2.700 . 3.700 2.708 2.388 3.032 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
115 1 46 MET QG 1 47 ARG H 3.360 . 5.020 3.956 2.285 4.473 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
116 1 48 MET H 1 49 LEU H 2.680 . 3.660 2.735 2.523 3.170 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
117 1 47 ARG HA 1 48 MET H 3.060 . 4.420 3.524 3.390 3.594 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
118 1 48 MET HA 1 49 LEU H 3.060 . 4.420 3.545 3.328 3.595 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
119 1 49 LEU H 1 50 GLY H 2.870 . 4.040 2.841 1.979 4.088 0.048 30 0 "[ . 1 . 2 . 3 . 4]" 2
120 1 49 LEU MD2 1 50 GLY H 3.850 . 6.000 4.238 3.975 4.982 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
121 1 50 GLY H 1 51 GLN H 2.740 . 3.780 2.521 1.870 3.788 0.008 16 0 "[ . 1 . 2 . 3 . 4]" 2
122 1 49 LEU QB 1 50 GLY H 3.420 . 5.140 2.540 1.811 4.028 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
123 1 50 GLY QA 1 51 GLN H 2.970 . 4.240 2.636 2.158 2.936 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
124 1 52 ASN H 1 53 PRO QD 3.100 . 4.500 2.865 2.277 4.032 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
125 1 51 GLN QB 1 52 ASN H 3.040 . 4.380 3.076 1.856 3.717 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
126 1 51 GLN HA 1 52 ASN H 2.380 . 3.070 2.303 2.193 2.923 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
127 1 51 GLN H 1 52 ASN H 3.510 . 5.320 4.456 3.907 4.697 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
128 1 53 PRO QB 1 54 THR H 3.050 . 4.400 2.410 1.928 3.029 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
129 1 54 THR HA 1 55 LYS H 2.440 . 3.180 2.289 2.205 2.479 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
130 1 54 THR MG 1 55 LYS H 3.470 . 5.240 3.713 3.138 4.146 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
131 1 55 LYS QB 1 56 GLU H 2.690 . 3.670 2.866 2.353 3.272 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
132 1 56 GLU H 1 57 GLU H 2.790 . 3.890 2.922 2.664 3.188 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
133 1 55 LYS HA 1 56 GLU H 3.060 . 4.410 3.518 3.447 3.586 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
134 1 57 GLU H 1 58 LEU H 2.830 . 3.950 2.663 2.269 2.935 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
135 1 58 LEU QB 1 59 ASP H 2.810 . 3.920 2.413 2.089 2.866 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
136 1 59 ASP H 1 60 ALA H 2.680 . 3.660 2.847 2.751 3.016 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
137 1 59 ASP HA 1 60 ALA H 3.150 . 4.590 3.576 3.556 3.586 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
138 1 59 ASP QB 1 60 ALA H 2.940 . 4.180 2.509 2.317 3.334 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
139 1 60 ALA H 1 61 ILE H 2.670 . 3.650 2.646 2.538 2.746 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
140 1 60 ALA MB 1 61 ILE H 3.050 . 4.400 2.785 2.467 3.004 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
141 1 61 ILE H 1 62 ILE H 2.650 . 3.600 2.676 2.441 3.010 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
142 1 60 ALA HA 1 61 ILE H 3.010 . 4.320 3.508 3.455 3.556 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
143 1 62 ILE H 1 63 GLU H 2.730 . 3.760 2.760 2.621 2.980 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
144 1 61 ILE HA 1 62 ILE H 3.100 . 4.500 3.561 3.511 3.587 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
145 1 63 GLU H 1 64 GLU H 2.750 . 3.790 2.662 2.592 2.816 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
146 1 62 ILE HA 1 63 GLU H 3.170 . 4.640 3.536 3.397 3.584 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
147 1 62 ILE HB 1 63 GLU H 2.690 . 3.690 2.718 2.287 3.314 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
148 1 63 GLU HA 1 64 GLU H 3.040 . 4.370 3.512 3.384 3.588 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
149 1 64 GLU H 1 65 VAL H 2.630 . 3.560 2.363 2.071 2.677 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
150 1 64 GLU QB 1 65 VAL H 2.920 . 4.140 3.179 2.788 3.732 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
151 1 66 ASP H 1 67 GLU H 3.150 . 4.600 3.796 3.450 4.121 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
152 1 65 VAL HA 1 66 ASP H 2.880 . 4.060 3.525 3.448 3.584 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
153 1 65 VAL HB 1 66 ASP H 2.830 . 3.950 2.766 2.401 3.105 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
154 1 66 ASP HA 1 67 GLU H 2.450 . 3.200 2.476 2.324 2.682 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
155 1 67 GLU QB 1 68 ASP H 3.030 . 4.360 3.348 2.705 3.805 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
156 1 68 ASP H 1 69 GLY H 2.540 . 3.370 2.277 2.085 2.598 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
157 1 68 ASP H 1 69 GLY QA 3.390 . 5.080 4.217 4.081 4.427 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
158 1 67 GLU HA 1 68 ASP H 2.970 . 4.240 3.464 3.362 3.566 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
159 1 67 GLU QG 1 68 ASP H 3.560 . 5.420 3.122 1.812 4.714 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
160 1 68 ASP QB 1 69 GLY H 3.850 . 6.000 3.540 2.418 3.915 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
161 1 70 SER H 1 71 GLY H 2.940 . 4.170 2.524 2.405 2.649 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
162 1 69 GLY H 1 70 SER H 2.840 . 3.980 2.600 2.072 2.952 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
163 1 70 SER H 1 71 GLY QA 3.690 . 5.670 4.483 4.381 4.599 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
164 1 71 GLY H 1 72 THR H 2.660 . 3.620 2.340 2.052 2.688 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
165 1 71 GLY QA 1 72 THR H 2.780 . 3.860 2.908 2.833 2.939 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
166 1 72 THR HB 1 73 ILE H 2.430 . 3.160 2.761 1.952 3.168 0.008 36 0 "[ . 1 . 2 . 3 . 4]" 2
167 1 72 THR HA 1 73 ILE H 2.290 . 2.870 2.387 2.239 2.697 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
168 1 72 THR MG 1 73 ILE H 3.150 . 4.590 3.296 2.758 3.828 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
169 1 73 ILE MD 1 74 ASP H 3.340 . 4.980 3.484 2.982 4.167 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
170 1 73 ILE HA 1 74 ASP H 2.180 . 2.660 2.254 2.198 2.385 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
171 1 73 ILE HB 1 74 ASP H 2.860 . 4.020 4.024 3.859 4.059 0.039 14 0 "[ . 1 . 2 . 3 . 4]" 2
172 1 74 ASP QB 1 75 PHE H 2.580 . 3.460 2.539 2.124 3.091 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
173 1 75 PHE H 1 76 GLU H 2.740 . 3.780 2.883 2.773 3.010 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
174 1 74 ASP HA 1 75 PHE H 2.520 . 3.330 2.472 2.341 2.628 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
175 1 76 GLU H 1 77 GLU QG 3.380 . 5.050 4.323 3.676 4.507 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
176 1 75 PHE QD 1 76 GLU H 3.370 . 5.040 4.249 3.892 4.495 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
177 1 75 PHE HA 1 76 GLU H 3.140 . 4.580 3.551 3.493 3.587 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
178 1 75 PHE QB 1 76 GLU H 2.850 . 4.000 2.572 2.170 2.883 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
179 1 76 GLU H 1 77 GLU H 2.610 . 3.520 2.756 2.504 3.036 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
180 1 77 GLU H 1 78 PHE H 2.670 . 3.630 2.510 2.328 2.693 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
181 1 76 GLU HA 1 77 GLU H 3.060 . 4.420 3.563 3.505 3.592 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
182 1 77 GLU QG 1 78 PHE H 3.750 . 5.790 4.136 3.872 4.320 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
183 1 77 GLU HA 1 78 PHE H 3.020 . 4.340 3.431 3.374 3.515 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
184 1 77 GLU QB 1 78 PHE H 2.870 . 4.040 3.075 2.810 3.224 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
185 1 78 PHE H 1 79 LEU H 2.750 . 3.810 2.765 2.593 2.890 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
186 1 79 LEU H 1 80 VAL H 2.750 . 3.790 2.795 2.634 2.907 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
187 1 78 PHE QD 1 79 LEU H 3.110 . 4.520 3.236 2.015 4.054 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
188 1 78 PHE QB 1 79 LEU H 2.950 . 4.200 2.423 2.141 2.857 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
189 1 78 PHE HA 1 79 LEU H 3.230 . 4.760 3.577 3.550 3.587 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
190 1 80 VAL H 1 81 MET H 2.650 . 3.600 2.702 2.539 2.955 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
191 1 79 LEU HA 1 80 VAL H 3.200 . 4.700 3.507 3.450 3.561 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
192 1 79 LEU QB 1 80 VAL H 2.960 . 4.220 2.780 2.513 2.993 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
193 1 80 VAL HA 1 81 MET H 3.060 . 4.420 3.571 3.531 3.588 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
194 1 80 VAL MG2 1 81 MET H 3.650 . 5.590 3.837 3.652 4.002 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
195 1 81 MET QB 1 82 MET H 2.790 . 3.880 2.669 2.338 3.401 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
196 1 82 MET H 1 83 VAL H 2.720 . 3.740 2.931 2.634 3.209 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
197 1 81 MET H 1 82 MET H 2.710 . 3.720 2.775 2.608 2.915 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
198 1 82 MET H 1 83 VAL MG2 3.850 . 6.000 4.261 3.862 4.770 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
199 1 81 MET QG 1 82 MET H 3.170 . 4.630 3.921 1.842 4.178 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
200 1 81 MET HA 1 82 MET H 3.030 . 4.360 3.538 3.473 3.586 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
201 1 82 MET QB 1 83 VAL H 3.090 . 4.480 2.161 1.861 2.635 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
202 1 83 VAL H 1 84 ARG H 2.710 . 3.730 2.708 2.538 2.900 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
203 1 82 MET QG 1 83 VAL H 3.090 . 4.480 3.664 2.199 4.048 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
204 1 82 MET HA 1 83 VAL H 3.060 . 4.420 3.581 3.555 3.591 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
205 1 83 VAL MG2 1 84 ARG H 3.850 . 6.000 3.894 3.454 4.102 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
206 1 83 VAL MG1 1 84 ARG H 3.620 . 5.540 4.022 3.645 4.261 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
207 1 83 VAL HB 1 84 ARG H 2.800 . 3.900 3.210 2.359 3.606 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
208 1 84 ARG H 1 85 GLN H 2.770 . 3.850 2.759 2.598 3.170 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
209 1 83 VAL HA 1 84 ARG H 3.230 . 4.760 3.414 3.278 3.579 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
210 1 84 ARG QG 1 85 GLN H 3.580 . 5.460 4.055 2.062 4.637 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
211 1 84 ARG HA 1 85 GLN H 3.040 . 4.380 3.553 3.425 3.596 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
212 1 84 ARG QB 1 85 GLN H 2.920 . 4.130 2.617 1.977 3.455 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
213 1 85 GLN H 1 86 MET QG 3.670 . 5.640 4.218 3.309 4.904 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
214 1 84 ARG QD 1 85 GLN H 3.850 . 6.000 4.888 3.993 5.362 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
215 1 85 GLN H 1 86 MET H 2.620 . 3.540 2.286 1.856 2.952 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
216 1 86 MET H 1 87 LYS H 2.610 . 3.520 2.699 1.882 3.468 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
217 1 86 MET QG 1 87 LYS H 3.730 . 5.760 3.553 1.792 4.607 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
218 1 86 MET HA 1 87 LYS H 2.800 . 3.900 3.415 2.944 3.590 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
219 1 87 LYS QB 1 88 GLU H 3.240 . 4.780 3.003 1.813 4.058 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
220 1 88 GLU H 1 89 ASP H 3.160 . 4.620 3.590 1.882 4.680 0.060 10 0 "[ . 1 . 2 . 3 . 4]" 2
221 1 87 LYS HA 1 88 GLU H 2.660 . 3.620 3.215 2.263 3.590 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
222 1 88 GLU QB 1 89 ASP H 3.720 . 5.740 3.044 1.838 4.038 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
223 1 88 GLU HA 1 89 ASP H 3.030 . 4.360 2.759 2.193 3.590 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
224 1 89 ASP H 1 90 ALA H 3.000 . 4.300 3.049 1.871 4.288 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
225 1 89 ASP QB 1 90 ALA H 3.060 . 4.410 3.698 1.820 3.953 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
226 1 89 ASP HA 1 90 ALA H 2.530 . 3.360 2.777 2.190 3.467 0.107 20 0 "[ . 1 . 2 . 3 . 4]" 2
227 1 8 ALA H 1 9 GLU HA 4.100 . 6.500 5.294 5.189 5.493 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
228 1 8 ALA HA 1 9 GLU H 4.100 . 6.500 3.550 3.435 3.588 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
229 1 9 GLU HA 1 10 ALA H 4.100 . 6.500 3.525 3.429 3.590 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
230 1 11 ARG H 1 12 ALA HA 4.100 . 6.500 5.263 5.188 5.507 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
231 1 12 ALA H 1 13 PHE HA 4.100 . 6.500 5.276 5.156 5.409 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
232 1 11 ARG QB 1 12 ALA H 4.100 . 6.500 2.904 2.395 3.461 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
233 1 11 ARG QG 1 12 ALA H 4.100 . 6.500 4.240 1.966 4.547 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
234 1 14 LEU H 1 15 SER H 4.100 . 6.500 4.558 4.419 4.629 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
235 1 18 MET H 1 19 ILE HA 4.100 . 6.500 5.252 4.918 5.436 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
236 1 18 MET H 1 19 ILE MG 4.350 . 7.000 5.760 5.513 5.857 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
237 1 20 ALA H 1 21 GLU QB 4.100 . 6.500 4.543 4.199 5.035 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
238 1 20 ALA H 1 21 GLU QG 4.100 . 6.500 4.979 3.728 5.858 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
239 1 21 GLU H 1 22 PHE QD 4.100 . 6.500 4.723 4.217 5.189 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
240 1 21 GLU H 1 22 PHE QB 4.100 . 6.500 4.625 4.286 4.999 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
241 1 22 PHE H 1 23 LYS HA 4.100 . 6.500 5.304 5.116 5.478 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
242 1 21 GLU QB 1 22 PHE H 4.100 . 6.500 2.685 2.257 3.591 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
243 1 21 GLU QG 1 22 PHE H 4.100 . 6.500 3.746 1.935 4.489 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
244 1 23 LYS QD 1 24 ALA H 4.100 . 6.500 4.354 3.524 4.813 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
245 1 27 ASP H 1 28 MET HA 4.100 . 6.500 5.348 5.276 5.535 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
246 1 27 ASP H 1 28 MET QB 4.100 . 6.500 4.496 4.405 5.103 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
247 1 27 ASP QB 1 28 MET H 4.100 . 6.500 3.121 2.387 3.726 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
248 1 28 MET H 1 29 PHE HA 4.100 . 6.500 5.329 5.145 5.533 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
249 1 28 MET H 1 29 PHE QD 4.100 . 6.500 4.226 3.287 4.970 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
250 1 29 PHE H 1 30 ASP HA 4.100 . 6.500 5.021 4.683 5.175 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
251 1 28 MET HA 1 29 PHE H 4.100 . 6.500 3.564 3.480 3.603 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
252 1 30 ASP H 1 31 ALA MB 4.350 . 7.000 4.677 3.505 5.551 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
253 1 30 ASP QB 1 31 ALA H 4.100 . 6.500 3.954 3.584 4.079 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
254 1 32 ASP H 1 33 GLY QA 4.100 . 6.500 4.437 4.254 4.604 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
255 1 36 ASP H 1 37 ILE MG 4.350 . 7.000 4.357 3.482 5.008 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
256 1 37 ILE HA 1 38 SER H 4.100 . 6.500 2.340 2.192 2.486 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
257 1 37 ILE MG 1 38 SER H 4.350 . 7.000 4.083 3.750 4.359 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
258 1 38 SER H 1 39 THR H 4.100 . 6.500 4.651 4.580 4.714 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
259 1 40 LYS QB 1 41 ALA H 4.100 . 6.500 3.062 2.268 3.770 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
260 1 42 LEU MD1 1 43 GLY H 4.350 . 7.000 4.386 4.087 4.693 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
261 1 42 LEU HA 1 43 GLY H 4.100 . 6.500 3.552 3.476 3.593 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
262 1 44 THR H 1 45 VAL MG1 4.350 . 7.000 5.815 5.700 5.869 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
263 1 45 VAL H 1 46 MET QG 4.100 . 6.500 4.475 3.566 5.645 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
264 1 46 MET H 1 47 ARG HA 4.100 . 6.500 5.445 5.116 5.673 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
265 1 47 ARG H 1 48 MET HA 4.100 . 6.500 5.329 5.032 5.581 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
266 1 48 MET H 1 49 LEU MD1 4.350 . 7.000 5.362 4.734 5.859 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
267 1 48 MET H 1 49 LEU MD2 4.350 . 7.000 4.128 2.908 4.919 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
268 1 49 LEU H 1 50 GLY QA 4.100 . 6.500 4.574 3.989 4.985 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
269 1 48 MET QB 1 49 LEU H 4.100 . 6.500 2.682 1.948 3.762 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
270 1 50 GLY H 1 51 GLN QB 4.100 . 6.500 4.153 3.206 5.671 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
271 1 49 LEU MD1 1 50 GLY H 4.350 . 7.000 4.462 3.722 5.085 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
272 1 54 THR H 1 55 LYS H 4.100 . 6.500 4.628 4.565 4.665 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
273 1 55 LYS H 1 56 GLU H 4.100 . 6.500 2.817 2.736 2.996 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
274 1 58 LEU H 1 59 ASP QB 4.100 . 6.500 4.476 4.257 4.885 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
275 1 58 LEU H 1 59 ASP HA 4.100 . 6.500 5.364 5.201 5.485 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
276 1 59 ASP H 1 60 ALA HA 4.100 . 6.500 5.463 5.393 5.595 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
277 1 60 ALA H 1 61 ILE HA 4.100 . 6.500 5.294 5.186 5.381 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
278 1 60 ALA H 1 61 ILE MG 4.350 . 7.000 5.828 5.742 5.853 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
279 1 61 ILE H 1 62 ILE HA 4.100 . 6.500 5.313 5.119 5.551 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
280 1 61 ILE HB 1 62 ILE H 4.100 . 6.500 2.609 2.238 2.939 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
281 1 62 ILE QG 1 63 GLU H 4.100 . 6.500 4.167 3.783 4.440 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
282 1 65 VAL H 1 66 ASP QB 4.100 . 6.500 4.123 3.924 4.383 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
283 1 64 GLU HA 1 65 VAL H 4.100 . 6.500 3.420 3.318 3.515 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
284 1 66 ASP QB 1 67 GLU H 4.100 . 6.500 3.938 3.815 3.989 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
285 1 68 ASP HA 1 69 GLY H 4.100 . 6.500 3.421 3.237 3.585 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
286 1 69 GLY QA 1 70 SER H 4.100 . 6.500 2.806 2.703 2.920 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
287 1 70 SER QB 1 71 GLY H 4.100 . 6.500 3.605 3.116 3.862 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
288 1 72 THR H 1 73 ILE H 4.100 . 6.500 4.397 4.292 4.460 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
289 1 73 ILE H 1 74 ASP H 4.100 . 6.500 4.507 4.372 4.588 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
290 1 73 ILE MG 1 74 ASP H 4.350 . 7.000 2.268 1.864 2.648 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
291 1 76 GLU H 1 77 GLU HA 4.100 . 6.500 5.389 5.204 5.573 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
292 1 77 GLU H 1 78 PHE QB 4.100 . 6.500 4.184 4.018 4.386 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
293 1 80 VAL H 1 81 MET HA 4.100 . 6.500 5.332 5.195 5.525 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
294 1 81 MET H 1 82 MET QB 4.100 . 6.500 4.772 4.356 5.155 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
295 1 82 MET H 1 83 VAL HA 4.100 . 6.500 5.477 5.283 5.678 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
296 1 82 MET H 1 83 VAL HB 4.100 . 6.500 5.162 4.941 5.412 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
297 1 83 VAL H 1 84 ARG QB 4.100 . 6.500 4.446 4.200 4.939 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
298 1 85 GLN QB 1 86 MET H 4.100 . 6.500 3.194 2.340 4.071 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
299 1 86 MET H 1 87 LYS HA 4.100 . 6.500 5.191 4.531 5.620 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
300 1 86 MET QB 1 87 LYS H 4.100 . 6.500 3.182 1.955 4.043 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
301 1 87 LYS QG 1 88 GLU H 4.100 . 6.500 4.083 1.885 4.772 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
302 1 87 LYS H 1 88 GLU H 4.100 . 6.500 2.867 1.901 3.789 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
303 1 1 ALA MB 1 2 SER QB 3.850 . 6.000 3.825 2.947 4.441 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
304 1 19 ILE MG 1 20 ALA HA 3.640 . 5.580 3.402 3.187 3.692 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
305 1 23 LYS HA 1 24 ALA MB 3.850 . 6.000 4.997 4.938 5.033 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
306 1 31 ALA MB 1 32 ASP HA 3.700 . 5.700 3.874 3.783 4.016 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
307 1 64 GLU QB 1 65 VAL MG2 3.850 . 6.000 3.235 2.870 4.052 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
308 1 37 ILE HA 1 38 SER HA 3.060 . 4.420 4.388 4.343 4.436 0.016 40 0 "[ . 1 . 2 . 3 . 4]" 2
309 1 61 ILE MG 1 62 ILE HA 3.370 . 5.040 3.176 2.892 3.470 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
310 1 2 SER HA 1 3 MET HA 3.270 . 4.830 4.570 4.385 4.869 0.039 3 0 "[ . 1 . 2 . 3 . 4]" 2
311 1 3 MET HA 1 4 THR HA 3.490 . 5.280 4.555 4.378 4.929 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
312 1 3 MET HA 1 4 THR MG 3.850 . 6.000 4.207 3.442 4.997 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
313 1 45 VAL MG1 1 46 MET HA 3.850 . 6.000 3.679 3.063 4.224 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
314 1 52 ASN HA 1 53 PRO QD 2.380 . 3.060 2.060 1.842 2.232 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
315 1 1 ALA HA 1 2 SER HA 3.670 . 5.640 4.626 4.364 5.398 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
316 1 2 SER HA 1 3 MET QB 3.850 . 6.000 4.349 3.739 5.334 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
317 1 38 SER HA 1 39 THR MG 3.850 . 6.000 3.550 3.315 4.408 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
318 1 80 VAL MG1 1 81 MET HA 3.850 . 6.000 3.375 2.952 3.893 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
319 1 83 VAL MG1 1 84 ARG HA 3.730 . 5.760 4.121 3.646 4.518 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
320 1 62 ILE MG 1 63 GLU HA 4.100 . 6.500 3.418 3.218 3.792 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
321 1 12 ALA MB 1 13 PHE HA 4.100 . 6.500 3.872 3.768 3.939 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
322 1 60 ALA MB 1 61 ILE HA 4.100 . 6.500 3.812 3.700 3.929 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
323 1 48 MET HA 1 49 LEU MD2 4.100 . 6.500 4.350 3.740 4.913 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
324 1 53 PRO HA 1 54 THR MG 4.100 . 6.500 4.002 3.321 4.514 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
325 1 2 SER HA 1 3 MET ME 4.100 . 6.500 4.497 2.361 5.409 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
326 1 44 THR MG 1 45 VAL MG2 4.100 . 6.500 3.492 1.856 4.101 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
327 1 80 VAL MG1 1 81 MET ME 4.100 . 6.500 4.499 4.398 4.528 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
328 1 13 PHE QD 1 14 LEU MD1 3.850 . 6.000 4.220 3.653 4.459 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
329 1 13 PHE QD 1 14 LEU MD2 3.560 . 5.420 2.328 1.893 2.922 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
330 1 13 PHE QE 1 14 LEU MD2 3.850 . 6.000 3.327 2.586 4.015 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
331 1 26 PHE QD 1 27 ASP HA 3.170 . 4.640 3.642 2.475 4.130 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
332 1 28 MET QB 1 29 PHE QD 3.050 . 4.400 3.089 2.248 3.518 . 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 209
_Distance_constraint_stats_list.Viol_count 33
_Distance_constraint_stats_list.Viol_total 30.730
_Distance_constraint_stats_list.Viol_max 0.094
_Distance_constraint_stats_list.Viol_rms 0.0020
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0001
_Distance_constraint_stats_list.Viol_average_violations_only 0.0233
_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 6 GLN 0.007 0.006 9 0 "[ . 1 . 2 . 3 . 4]"
1 7 GLN 0.065 0.054 36 0 "[ . 1 . 2 . 3 . 4]"
1 8 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 10 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 11 ARG 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 13 PHE 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 14 LEU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 19 ILE 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 22 PHE 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 23 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 24 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 25 ALA 0.037 0.037 15 0 "[ . 1 . 2 . 3 . 4]"
1 26 PHE 0.034 0.015 11 0 "[ . 1 . 2 . 3 . 4]"
1 27 ASP 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 28 MET 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 29 PHE 0.066 0.066 5 0 "[ . 1 . 2 . 3 . 4]"
1 30 ASP 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 36 ASP 0.034 0.015 11 0 "[ . 1 . 2 . 3 . 4]"
1 37 ILE 0.066 0.066 5 0 "[ . 1 . 2 . 3 . 4]"
1 38 SER 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 39 THR 0.206 0.058 18 0 "[ . 1 . 2 . 3 . 4]"
1 41 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 42 LEU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 43 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 44 THR 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 45 VAL 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 46 MET 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 49 LEU 0.044 0.037 15 0 "[ . 1 . 2 . 3 . 4]"
1 51 GLN 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 58 LEU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 61 ILE 0.039 0.039 30 0 "[ . 1 . 2 . 3 . 4]"
1 62 ILE 0.197 0.058 18 0 "[ . 1 . 2 . 3 . 4]"
1 65 VAL 0.210 0.053 39 0 "[ . 1 . 2 . 3 . 4]"
1 66 ASP 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 67 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 71 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 72 THR 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 73 ILE 0.316 0.094 26 0 "[ . 1 . 2 . 3 . 4]"
1 74 ASP 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 75 PHE 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 77 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 78 PHE 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 79 LEU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 80 VAL 0.065 0.054 36 0 "[ . 1 . 2 . 3 . 4]"
1 81 MET 0.144 0.094 26 0 "[ . 1 . 2 . 3 . 4]"
1 82 MET 0.007 0.007 40 0 "[ . 1 . 2 . 3 . 4]"
1 83 VAL 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 84 ARG 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 85 GLN 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 86 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 7 GLN H 1 80 VAL MG2 3.600 . 5.500 3.606 3.171 4.171 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
2 1 10 ALA H 1 80 VAL MG2 3.850 . 6.000 4.211 3.477 4.932 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
3 1 13 PHE H 1 83 VAL MG2 3.850 . 6.000 4.164 3.588 4.715 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
4 1 22 PHE H 1 79 LEU MD2 3.850 . 6.000 4.830 4.418 5.010 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
5 1 23 LYS H 1 75 PHE QE 2.940 . 4.170 3.468 3.098 3.719 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
6 1 23 LYS H 1 79 LEU MD2 3.850 . 6.000 4.877 4.468 5.006 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
7 1 23 LYS H 1 75 PHE HZ 2.750 . 3.800 2.707 1.931 3.552 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
8 1 26 PHE H 1 75 PHE QE 3.230 . 4.760 3.826 3.389 4.242 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
9 1 26 PHE HZ 1 36 ASP H 3.110 . 4.520 4.068 3.156 4.535 0.015 11 0 "[ . 1 . 2 . 3 . 4]" 3
10 1 26 PHE QE 1 36 ASP H 3.390 . 5.080 4.149 3.033 4.541 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
11 1 37 ILE H 1 74 ASP H 3.850 . 6.000 5.306 4.909 5.747 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
12 1 37 ILE H 1 74 ASP HA 3.770 . 5.840 3.738 3.175 4.337 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
13 1 37 ILE H 1 73 ILE HB 3.530 . 5.360 3.650 3.059 4.346 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
14 1 37 ILE H 1 73 ILE H 3.080 . 4.460 3.633 2.904 4.315 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
15 1 37 ILE H 1 72 THR HB 3.850 . 6.000 4.715 3.563 5.468 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
16 1 26 PHE HZ 1 37 ILE H 3.770 . 5.830 3.456 2.427 5.077 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
17 1 39 THR H 1 72 THR HA 3.660 . 5.620 3.389 2.124 4.030 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
18 1 29 PHE QD 1 45 VAL H 3.540 . 5.370 4.668 4.031 4.806 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
19 1 67 GLU H 1 77 GLU QG 3.350 . 5.000 4.171 2.998 4.466 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
20 1 36 ASP QB 1 73 ILE H 3.460 . 5.220 3.476 2.563 4.515 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
21 1 38 SER HA 1 73 ILE H 2.930 . 4.160 3.500 2.867 4.156 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
22 1 26 PHE HZ 1 75 PHE H 2.830 . 3.960 2.710 2.104 3.516 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
23 1 36 ASP HA 1 75 PHE H 3.150 . 4.600 4.116 3.511 4.583 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
24 1 26 PHE QE 1 75 PHE H 3.040 . 4.370 3.023 2.250 3.442 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
25 1 7 GLN HA 1 80 VAL H 3.540 . 5.380 4.984 4.434 5.386 0.006 2 0 "[ . 1 . 2 . 3 . 4]" 3
26 1 10 ALA MB 1 80 VAL H 3.730 . 5.760 3.673 3.183 4.031 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
27 1 6 GLN HE22 1 65 VAL HA 3.450 . 5.200 3.869 2.244 5.201 0.001 24 0 "[ . 1 . 2 . 3 . 4]" 3
28 1 6 GLN HE21 1 65 VAL HA 3.150 . 4.600 4.061 3.059 4.606 0.006 9 0 "[ . 1 . 2 . 3 . 4]" 3
29 1 6 GLN HE21 1 80 VAL MG1 3.850 . 6.000 2.794 1.867 3.851 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
30 1 6 GLN HE22 1 80 VAL MG1 3.850 . 6.000 3.313 2.016 4.646 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
31 1 7 GLN HE22 1 77 GLU QG 3.000 . 4.290 3.090 2.225 3.820 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
32 1 7 GLN HE21 1 77 GLU QG 3.010 . 4.320 2.856 1.953 3.799 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
33 1 6 GLN H 1 80 VAL MG1 4.350 . 7.000 5.618 5.061 5.833 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
34 1 6 GLN H 1 80 VAL MG2 4.350 . 7.000 5.053 4.486 5.840 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
35 1 6 GLN HE21 1 65 VAL MG2 4.350 . 7.000 5.212 4.370 5.814 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
36 1 6 GLN HE21 1 80 VAL MG2 4.350 . 7.000 3.675 1.966 5.071 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
37 1 8 ALA H 1 80 VAL MG2 4.350 . 7.000 4.940 4.462 5.511 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
38 1 10 ALA H 1 83 VAL MG2 4.350 . 7.000 4.557 4.055 4.894 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
39 1 10 ALA H 1 80 VAL HA 4.100 . 6.500 5.033 4.185 5.802 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
40 1 22 PHE H 1 75 PHE HZ 4.100 . 6.500 4.540 3.601 5.384 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
41 1 22 PHE H 1 75 PHE QE 4.100 . 6.500 5.088 4.629 5.633 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
42 1 23 LYS H 1 75 PHE QD 4.100 . 6.500 5.563 5.073 5.799 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
43 1 24 ALA H 1 75 PHE QE 4.100 . 6.500 4.900 4.593 5.230 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
44 1 26 PHE H 1 75 PHE QD 4.100 . 6.500 4.731 4.089 5.143 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
45 1 27 ASP H 1 75 PHE QE 4.100 . 6.500 5.355 4.611 5.754 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
46 1 27 ASP H 1 75 PHE QD 4.100 . 6.500 5.427 4.738 5.797 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
47 1 29 PHE H 1 37 ILE MD 4.350 . 7.000 4.918 3.563 5.835 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
48 1 29 PHE H 1 45 VAL MG2 4.350 . 7.000 4.383 3.920 5.219 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
49 1 29 PHE H 1 37 ILE MG 4.350 . 7.000 4.261 3.397 5.246 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
50 1 29 PHE H 1 45 VAL MG1 4.350 . 7.000 5.215 4.470 5.817 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
51 1 30 ASP H 1 37 ILE MG 4.350 . 7.000 4.280 2.731 5.833 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
52 1 36 ASP H 1 74 ASP HA 4.100 . 6.500 5.232 4.345 6.018 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
53 1 26 PHE QE 1 37 ILE H 4.100 . 6.500 3.178 2.240 4.146 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
54 1 30 ASP HA 1 37 ILE H 4.100 . 6.500 5.453 4.592 6.205 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
55 1 37 ILE H 1 72 THR MG 4.350 . 7.000 4.810 3.931 5.752 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
56 1 39 THR H 1 73 ILE H 4.100 . 6.500 4.054 3.604 4.534 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
57 1 37 ILE MD 1 45 VAL H 4.350 . 7.000 4.756 3.800 5.665 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
58 1 51 GLN HE22 1 82 MET ME 4.350 . 7.000 3.941 1.965 5.831 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
59 1 51 GLN HE21 1 82 MET ME 4.350 . 7.000 3.836 1.904 4.942 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
60 1 66 ASP H 1 73 ILE MD 4.350 . 7.000 3.742 3.166 4.337 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
61 1 39 THR MG 1 71 GLY H 4.350 . 7.000 5.022 4.017 5.696 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
62 1 39 THR HB 1 73 ILE H 4.100 . 6.500 6.135 4.795 6.509 0.009 5 0 "[ . 1 . 2 . 3 . 4]" 3
63 1 37 ILE HA 1 73 ILE H 4.100 . 6.500 5.060 4.612 5.644 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
64 1 26 PHE QD 1 78 PHE H 4.100 . 6.500 5.599 5.056 5.811 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
65 1 10 ALA MB 1 79 LEU H 4.350 . 7.000 4.957 4.394 5.353 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
66 1 10 ALA MB 1 83 VAL H 4.350 . 7.000 3.855 3.137 4.373 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
67 1 10 ALA HA 1 83 VAL H 4.100 . 6.500 4.934 4.253 5.650 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
68 1 61 ILE MD 1 85 GLN H 4.350 . 7.000 4.678 3.612 5.796 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
69 1 61 ILE MD 1 85 GLN HE21 4.350 . 7.000 4.229 2.557 5.827 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
70 1 61 ILE MD 1 85 GLN HE22 4.350 . 7.000 4.373 1.847 5.833 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
71 1 10 ALA HA 1 83 VAL MG1 2.820 . 3.940 2.799 2.219 3.260 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
72 1 10 ALA HA 1 83 VAL MG2 2.750 . 3.790 2.207 1.822 2.699 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
73 1 10 ALA MB 1 80 VAL HA 2.670 . 3.650 2.348 1.852 2.774 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
74 1 10 ALA MB 1 80 VAL MG1 3.560 . 5.420 3.554 3.193 3.768 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
75 1 10 ALA MB 1 80 VAL MG2 2.930 . 4.160 2.472 1.849 2.882 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
76 1 10 ALA MB 1 83 VAL MG2 3.020 . 4.330 2.333 1.805 3.000 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
77 1 25 ALA MB 1 49 LEU MD1 3.710 . 5.710 3.233 2.537 3.965 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
78 1 25 ALA MB 1 49 LEU MD2 3.190 . 4.680 2.178 1.663 2.844 0.037 15 0 "[ . 1 . 2 . 3 . 4]" 3
79 1 29 PHE QB 1 41 ALA MB 3.850 . 6.000 2.817 2.076 4.031 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
80 1 30 ASP HA 1 37 ILE MG 3.650 . 5.590 3.817 2.497 4.664 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
81 1 30 ASP QB 1 37 ILE MG 3.850 . 6.000 3.442 1.774 4.455 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
82 1 36 ASP HA 1 74 ASP HA 2.620 . 3.540 2.583 2.033 3.129 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
83 1 36 ASP QB 1 72 THR HB 2.750 . 3.800 2.622 1.853 3.302 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
84 1 66 ASP HA 1 73 ILE MD 3.520 . 5.330 3.532 2.989 4.436 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
85 1 36 ASP QB 1 74 ASP HA 3.050 . 4.400 2.956 1.847 3.884 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
86 1 13 PHE QB 1 83 VAL MG1 3.720 . 5.740 2.727 2.083 3.194 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
87 1 13 PHE QB 1 83 VAL MG2 3.620 . 5.540 2.693 1.857 3.568 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
88 1 22 PHE HA 1 49 LEU MD1 3.330 . 4.950 3.932 2.325 4.137 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
89 1 22 PHE HA 1 49 LEU MD2 3.570 . 5.440 3.959 3.385 4.536 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
90 1 19 ILE HA 1 79 LEU MD2 3.210 . 4.720 2.766 2.216 3.182 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
91 1 19 ILE MD 1 79 LEU MD1 3.460 . 5.210 2.902 1.830 3.509 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
92 1 19 ILE MD 1 79 LEU MD2 3.850 . 6.000 3.342 2.328 3.833 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
93 1 11 ARG HA 1 19 ILE MD 3.160 . 4.620 2.807 2.301 3.567 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
94 1 11 ARG QD 1 19 ILE MD 3.850 . 6.000 3.895 2.894 4.455 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
95 1 19 ILE MG 1 79 LEU MD1 3.100 . 4.500 2.373 1.930 3.119 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
96 1 19 ILE MG 1 79 LEU MD2 3.580 . 5.460 2.344 1.810 3.156 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
97 1 37 ILE MD 1 73 ILE HB 3.850 . 6.000 3.417 2.433 4.485 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
98 1 37 ILE MD 1 73 ILE MG 3.850 . 6.000 3.829 2.646 4.166 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
99 1 37 ILE MD 1 45 VAL MG1 3.850 . 6.000 3.988 3.396 4.186 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
100 1 37 ILE MD 1 45 VAL MG2 3.640 . 5.580 2.575 1.939 3.148 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
101 1 29 PHE QB 1 37 ILE MG 3.850 . 6.000 2.491 1.715 3.805 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
102 1 37 ILE MG 1 45 VAL MG2 3.850 . 6.000 3.693 3.268 4.135 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
103 1 46 MET ME 1 61 ILE MD 3.340 . 4.980 2.729 1.958 3.455 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
104 1 42 LEU HG 1 61 ILE MG 3.850 . 6.000 4.904 4.173 5.026 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
105 1 61 ILE MG 1 81 MET QG 2.940 . 4.180 2.079 1.661 3.124 0.039 30 0 "[ . 1 . 2 . 3 . 4]" 3
106 1 62 ILE HA 1 73 ILE MD 3.850 . 6.000 3.407 2.602 4.291 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
107 1 39 THR HB 1 62 ILE MD 2.850 . 4.000 2.359 1.707 3.357 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
108 1 39 THR MG 1 62 ILE MD 3.850 . 6.000 3.414 2.299 4.170 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
109 1 39 THR HB 1 62 ILE MG 2.960 . 4.210 2.296 1.775 3.282 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
110 1 39 THR HA 1 73 ILE MD 3.490 . 5.280 4.117 3.015 4.411 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
111 1 39 THR MG 1 73 ILE MD 3.060 . 4.420 2.284 1.909 2.594 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
112 1 23 LYS QE 1 75 PHE QB 3.520 . 5.330 3.873 2.789 4.233 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
113 1 14 LEU MD1 1 79 LEU HA 3.850 . 6.000 2.887 2.306 3.500 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
114 1 14 LEU MD1 1 79 LEU MD2 2.880 . 4.060 2.015 1.751 2.340 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
115 1 14 LEU MD1 1 83 VAL MG2 2.870 . 4.040 2.156 1.851 2.514 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
116 1 14 LEU MD2 1 79 LEU MD2 3.850 . 6.000 3.701 3.079 4.097 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
117 1 14 LEU MD2 1 83 VAL MG2 3.730 . 5.750 2.345 1.789 3.044 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
118 1 14 LEU HG 1 83 VAL MG2 3.000 . 4.290 2.525 1.888 3.226 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
119 1 49 LEU QB 1 82 MET ME 3.850 . 6.000 3.693 2.342 4.452 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
120 1 49 LEU MD1 1 82 MET ME 3.370 . 5.040 2.316 1.693 3.166 0.007 40 0 "[ . 1 . 2 . 3 . 4]" 3
121 1 43 GLY QA 1 58 LEU MD2 3.730 . 5.750 2.699 1.922 3.928 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
122 1 11 ARG QD 1 79 LEU MD1 3.850 . 6.000 2.730 1.744 4.306 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
123 1 22 PHE QB 1 79 LEU MD2 3.040 . 4.380 2.808 2.362 3.256 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
124 1 46 MET QG 1 58 LEU MD1 3.630 . 5.560 3.004 1.705 4.062 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
125 1 65 VAL MG1 1 81 MET HA 3.150 . 4.600 3.846 3.817 3.870 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
126 1 6 GLN QB 1 80 VAL MG1 3.710 . 5.720 2.656 2.174 3.568 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
127 1 6 GLN QB 1 80 VAL MG2 3.790 . 5.880 2.628 1.814 4.064 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
128 1 7 GLN HA 1 80 VAL MG2 3.000 . 4.300 2.467 1.893 3.141 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
129 1 7 GLN QG 1 80 VAL MG2 3.850 . 6.000 2.463 1.646 4.413 0.054 36 0 "[ . 1 . 2 . 3 . 4]" 3
130 1 11 ARG HA 1 79 LEU MD1 3.850 . 6.000 3.229 2.038 4.326 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
131 1 65 VAL MG1 1 84 ARG QD 3.850 . 6.000 4.238 3.626 4.462 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
132 1 38 SER HA 1 72 THR HA 2.910 . 4.120 3.018 2.086 3.671 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
133 1 38 SER HA 1 72 THR MG 3.270 . 4.840 2.843 1.867 3.674 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
134 1 39 THR HA 1 73 ILE QG 3.690 . 5.670 2.812 2.174 3.958 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
135 1 39 THR MG 1 71 GLY QA 3.850 . 6.000 4.016 2.758 4.455 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
136 1 39 THR MG 1 72 THR HA 3.310 . 4.920 3.050 1.919 3.739 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
137 1 65 VAL MG1 1 77 GLU HA 3.470 . 5.240 3.253 2.825 3.626 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
138 1 65 VAL MG1 1 73 ILE MD 3.850 . 6.000 1.729 1.647 1.826 0.053 39 0 "[ . 1 . 2 . 3 . 4]" 3
139 1 65 VAL MG1 1 73 ILE MG 3.850 . 6.000 2.459 1.775 2.955 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
140 1 39 THR MG 1 65 VAL MG1 3.850 . 6.000 4.167 4.148 4.181 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
141 1 65 VAL MG2 1 73 ILE MD 3.230 . 4.760 3.310 3.254 3.334 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
142 1 65 VAL HA 1 80 VAL MG1 3.250 . 4.800 2.690 2.258 3.365 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
143 1 10 ALA MB 1 83 VAL HB 3.380 . 5.050 2.941 2.052 3.728 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
144 1 10 ALA MB 1 82 MET QB 4.100 . 6.500 4.609 4.091 4.834 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
145 1 25 ALA MB 1 45 VAL MG1 4.100 . 6.500 2.651 1.856 3.408 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
146 1 25 ALA MB 1 45 VAL MG2 4.100 . 6.500 3.925 3.125 4.482 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
147 1 26 PHE HA 1 45 VAL MG2 4.100 . 6.500 4.363 3.276 5.234 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
148 1 29 PHE QB 1 37 ILE MD 4.100 . 6.500 2.597 1.634 4.598 0.066 5 0 "[ . 1 . 2 . 3 . 4]" 3
149 1 11 ARG QG 1 19 ILE MD 4.100 . 6.500 2.538 1.910 4.426 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
150 1 26 PHE HA 1 37 ILE MD 4.100 . 6.500 4.443 3.241 5.361 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
151 1 39 THR HA 1 62 ILE MD 4.100 . 6.500 3.955 3.151 4.998 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
152 1 62 ILE MG 1 73 ILE MD 4.100 . 6.500 3.058 2.274 3.987 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
153 1 39 THR MG 1 62 ILE MG 4.100 . 6.500 1.948 1.642 2.474 0.058 18 0 "[ . 1 . 2 . 3 . 4]" 3
154 1 66 ASP QB 1 73 ILE MD 4.100 . 6.500 3.578 2.308 4.339 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
155 1 42 LEU MD1 1 73 ILE MD 4.100 . 6.500 4.146 2.856 4.523 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
156 1 73 ILE MD 1 81 MET ME 4.100 . 6.500 2.213 1.690 3.279 0.010 12 0 "[ . 1 . 2 . 3 . 4]" 3
157 1 42 LEU MD1 1 73 ILE MG 4.100 . 6.500 3.117 2.388 3.824 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
158 1 73 ILE MG 1 81 MET ME 4.100 . 6.500 2.638 1.606 3.884 0.094 26 0 "[ . 1 . 2 . 3 . 4]" 3
159 1 42 LEU MD2 1 62 ILE HA 4.100 . 6.500 4.801 3.606 5.499 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
160 1 42 LEU MD2 1 73 ILE MD 4.100 . 6.500 3.065 1.705 4.097 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
161 1 42 LEU MD2 1 73 ILE MG 4.100 . 6.500 2.806 2.132 3.500 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
162 1 11 ARG QB 1 79 LEU MD1 4.100 . 6.500 3.588 2.148 4.422 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
163 1 11 ARG QG 1 79 LEU MD1 4.100 . 6.500 2.402 1.763 4.634 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
164 1 10 ALA MB 1 79 LEU MD2 4.100 . 6.500 4.335 3.796 4.512 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
165 1 46 MET HA 1 82 MET ME 4.100 . 6.500 3.928 2.369 5.426 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
166 1 51 GLN QG 1 82 MET ME 4.100 . 6.500 4.260 2.820 4.828 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
167 1 6 GLN QG 1 80 VAL MG1 4.100 . 6.500 3.465 1.969 4.623 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
168 1 6 GLN QG 1 80 VAL MG2 4.100 . 6.500 3.658 1.795 4.824 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
169 1 7 GLN QB 1 80 VAL MG2 4.100 . 6.500 3.458 2.049 4.214 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
170 1 46 MET ME 1 85 GLN QG 4.100 . 6.500 3.703 1.832 4.748 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
171 1 38 SER QB 1 72 THR MG 4.100 . 6.500 3.915 2.964 4.751 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
172 1 36 ASP QB 1 72 THR MG 4.100 . 6.500 3.406 2.440 4.029 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
173 1 28 MET ME 1 45 VAL MG2 4.100 . 6.500 4.321 3.820 4.522 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
174 1 65 VAL MG2 1 73 ILE MG 4.100 . 6.500 4.242 3.700 4.522 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
175 1 65 VAL MG2 1 80 VAL MG2 4.100 . 6.500 4.514 4.450 4.526 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
176 1 10 ALA MB 1 83 VAL MG1 4.100 . 6.500 3.592 3.012 4.261 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
177 1 14 LEU MD1 1 83 VAL MG1 4.100 . 6.500 4.249 3.800 4.509 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
178 1 14 LEU MD2 1 83 VAL MG1 4.100 . 6.500 3.926 3.418 4.362 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
179 1 13 PHE QD 1 83 VAL MG1 3.840 . 5.980 3.063 1.972 3.594 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
180 1 13 PHE QE 1 86 MET ME 3.830 . 5.960 2.587 1.836 4.197 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
181 1 13 PHE QE 1 83 VAL MG1 3.850 . 6.000 4.158 3.489 4.455 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
182 1 26 PHE QD 1 37 ILE MD 3.850 . 6.000 4.066 2.722 4.468 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
183 1 26 PHE QE 1 36 ASP HA 2.920 . 4.140 3.028 2.011 3.695 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
184 1 26 PHE QE 1 74 ASP HA 2.970 . 4.240 3.089 2.110 3.762 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
185 1 26 PHE QE 1 75 PHE QB 3.100 . 4.500 3.093 2.126 3.551 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
186 1 26 PHE QE 1 37 ILE MG 3.850 . 6.000 2.466 1.832 3.898 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
187 1 26 PHE HZ 1 36 ASP HA 2.640 . 3.580 2.075 1.851 2.962 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
188 1 26 PHE HZ 1 74 ASP HA 2.710 . 3.730 2.424 1.858 3.730 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
189 1 29 PHE QD 1 41 ALA MB 3.620 . 5.540 3.276 2.052 4.132 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
190 1 29 PHE QD 1 37 ILE MD 3.850 . 6.000 2.912 1.748 4.398 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
191 1 29 PHE QD 1 37 ILE QG 3.180 . 4.660 3.598 2.292 3.738 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
192 1 29 PHE QD 1 37 ILE MG 3.850 . 6.000 3.140 1.841 4.455 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
193 1 29 PHE QD 1 42 LEU MD1 3.850 . 6.000 4.386 3.988 4.484 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
194 1 29 PHE QD 1 44 THR MG 3.410 . 5.120 3.719 3.001 3.870 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
195 1 29 PHE QD 1 45 VAL MG1 3.220 . 4.740 3.421 2.896 3.548 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
196 1 29 PHE QD 1 45 VAL MG2 3.850 . 6.000 2.368 1.790 2.743 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
197 1 26 PHE QB 1 75 PHE QD 3.100 . 4.500 2.458 1.928 2.836 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
198 1 26 PHE QD 1 75 PHE QD 2.890 . 4.080 2.855 2.169 3.240 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
199 1 23 LYS HA 1 75 PHE QD 3.150 . 4.590 3.675 3.420 3.955 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
200 1 22 PHE QB 1 75 PHE QE 3.440 . 5.180 2.863 2.298 3.351 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
201 1 26 PHE QB 1 75 PHE QE 3.280 . 4.860 2.563 2.049 3.029 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
202 1 19 ILE MG 1 75 PHE QE 3.060 . 4.420 2.487 1.916 3.184 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
203 1 23 LYS HA 1 75 PHE QE 2.650 . 3.610 2.184 1.863 2.742 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
204 1 23 LYS QB 1 75 PHE QE 3.190 . 4.680 3.106 2.411 3.675 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
205 1 19 ILE HA 1 75 PHE HZ 3.650 . 5.590 3.961 3.172 4.668 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
206 1 19 ILE MG 1 75 PHE HZ 3.200 . 4.700 2.537 2.031 3.155 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
207 1 23 LYS HA 1 75 PHE HZ 3.210 . 4.710 2.762 2.358 3.446 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
208 1 23 LYS QB 1 75 PHE HZ 3.150 . 4.600 2.375 1.860 3.091 . 0 0 "[ . 1 . 2 . 3 . 4]" 3
209 1 42 LEU MD1 1 78 PHE QD 3.850 . 6.000 3.524 2.505 4.347 . 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 347
_Distance_constraint_stats_list.Viol_count 116
_Distance_constraint_stats_list.Viol_total 134.515
_Distance_constraint_stats_list.Viol_max 0.149
_Distance_constraint_stats_list.Viol_rms 0.0040
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0002
_Distance_constraint_stats_list.Viol_average_violations_only 0.0290
_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 SER 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 3 MET 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 4 THR 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 5 ASP 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 6 GLN 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 7 GLN 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 8 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 9 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 10 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 11 ARG 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 12 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 13 PHE 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 14 LEU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 15 SER 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 16 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 17 GLU 0.011 0.011 29 0 "[ . 1 . 2 . 3 . 4]"
1 18 MET 0.032 0.012 28 0 "[ . 1 . 2 . 3 . 4]"
1 19 ILE 0.011 0.011 29 0 "[ . 1 . 2 . 3 . 4]"
1 20 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 21 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 22 PHE 0.032 0.012 28 0 "[ . 1 . 2 . 3 . 4]"
1 23 LYS 0.041 0.015 13 0 "[ . 1 . 2 . 3 . 4]"
1 24 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 25 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 26 PHE 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 27 ASP 0.050 0.015 13 0 "[ . 1 . 2 . 3 . 4]"
1 28 MET 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 29 PHE 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 30 ASP 0.020 0.007 11 0 "[ . 1 . 2 . 3 . 4]"
1 31 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 32 ASP 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 33 GLY 0.063 0.021 11 0 "[ . 1 . 2 . 3 . 4]"
1 34 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 35 GLY 0.052 0.021 11 0 "[ . 1 . 2 . 3 . 4]"
1 36 ASP 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 37 ILE 1.655 0.149 22 0 "[ . 1 . 2 . 3 . 4]"
1 38 SER 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 39 THR 0.204 0.037 35 0 "[ . 1 . 2 . 3 . 4]"
1 40 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 41 ALA 0.112 0.022 6 0 "[ . 1 . 2 . 3 . 4]"
1 42 LEU 1.904 0.149 22 0 "[ . 1 . 2 . 3 . 4]"
1 43 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 44 THR 0.689 0.069 25 0 "[ . 1 . 2 . 3 . 4]"
1 45 VAL 0.033 0.015 2 0 "[ . 1 . 2 . 3 . 4]"
1 46 MET 0.587 0.069 25 0 "[ . 1 . 2 . 3 . 4]"
1 47 ARG 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 48 MET 0.091 0.043 4 0 "[ . 1 . 2 . 3 . 4]"
1 49 LEU 0.004 0.004 26 0 "[ . 1 . 2 . 3 . 4]"
1 51 GLN 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 52 ASN 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 53 PRO 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 54 THR 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 55 LYS 0.002 0.002 35 0 "[ . 1 . 2 . 3 . 4]"
1 56 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 57 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 58 LEU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 59 ASP 0.002 0.002 35 0 "[ . 1 . 2 . 3 . 4]"
1 60 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 61 ILE 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 62 ILE 0.137 0.039 40 0 "[ . 1 . 2 . 3 . 4]"
1 63 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 64 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 65 VAL 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 66 ASP 0.137 0.039 40 0 "[ . 1 . 2 . 3 . 4]"
1 67 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 68 ASP 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 69 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 70 SER 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 71 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 72 THR 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 73 ILE 0.297 0.091 34 0 "[ . 1 . 2 . 3 . 4]"
1 74 ASP 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 75 PHE 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 76 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 77 GLU 0.297 0.091 34 0 "[ . 1 . 2 . 3 . 4]"
1 78 PHE 0.025 0.019 37 0 "[ . 1 . 2 . 3 . 4]"
1 79 LEU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 80 VAL 0.018 0.012 17 0 "[ . 1 . 2 . 3 . 4]"
1 81 MET 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 82 MET 0.025 0.019 37 0 "[ . 1 . 2 . 3 . 4]"
1 83 VAL 0.091 0.073 5 0 "[ . 1 . 2 . 3 . 4]"
1 84 ARG 0.014 0.014 16 0 "[ . 1 . 2 . 3 . 4]"
1 85 GLN 0.002 0.002 35 0 "[ . 1 . 2 . 3 . 4]"
1 86 MET 0.087 0.073 5 0 "[ . 1 . 2 . 3 . 4]"
1 87 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 88 GLU 0.002 0.002 35 0 "[ . 1 . 2 . 3 . 4]"
1 90 ALA 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 SER QB 1 4 THR H 3.850 . 6.000 4.807 3.511 5.396 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
2 1 4 THR H 1 7 GLN QG 3.500 . 5.300 3.962 2.607 4.723 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
3 1 4 THR HB 1 6 GLN H 2.960 . 4.210 2.650 2.204 3.406 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
4 1 5 ASP HA 1 7 GLN H 3.530 . 5.360 4.195 3.675 4.540 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
5 1 4 THR MG 1 7 GLN H 3.850 . 6.000 4.592 4.073 4.906 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
6 1 5 ASP QB 1 8 ALA H 3.330 . 4.960 4.408 4.297 4.450 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
7 1 5 ASP HA 1 8 ALA H 3.120 . 4.540 3.063 2.952 3.215 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
8 1 5 ASP HA 1 9 GLU H 3.540 . 5.380 4.255 3.389 4.974 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
9 1 8 ALA H 1 10 ALA H 3.850 . 6.000 3.930 3.536 4.746 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
10 1 7 GLN HA 1 10 ALA H 3.450 . 5.200 3.351 3.126 3.933 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
11 1 9 GLU HA 1 12 ALA H 2.940 . 4.180 3.421 3.200 3.963 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
12 1 11 ARG H 1 13 PHE H 3.520 . 5.340 4.218 4.020 4.483 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
13 1 11 ARG QB 1 13 PHE H 3.560 . 5.420 4.747 4.469 4.841 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
14 1 10 ALA HA 1 13 PHE H 3.010 . 4.320 3.604 3.320 3.833 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
15 1 11 ARG HA 1 13 PHE H 3.270 . 4.840 4.140 3.863 4.334 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
16 1 11 ARG HA 1 14 LEU H 2.950 . 4.200 3.179 2.906 3.396 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
17 1 15 SER H 1 18 MET QB 2.960 . 4.220 2.597 1.836 3.607 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
18 1 15 SER H 1 18 MET H 3.090 . 4.480 3.614 3.016 4.074 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
19 1 17 GLU H 1 19 ILE H 3.290 . 4.880 4.252 3.480 4.891 0.011 29 0 "[ . 1 . 2 . 3 . 4]" 4
20 1 15 SER HA 1 17 GLU H 3.370 . 5.040 4.170 3.760 4.672 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
21 1 15 SER QB 1 17 GLU H 2.980 . 4.260 2.545 2.094 3.386 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
22 1 15 SER QB 1 18 MET H 3.500 . 5.290 2.976 2.328 4.208 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
23 1 20 ALA H 1 22 PHE H 3.590 . 5.480 4.197 3.799 4.726 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
24 1 16 GLU HA 1 20 ALA H 3.300 . 4.900 4.001 3.445 4.446 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
25 1 17 GLU HA 1 20 ALA H 3.070 . 4.440 3.797 3.183 4.256 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
26 1 18 MET HA 1 21 GLU H 3.120 . 4.540 3.457 3.192 3.842 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
27 1 18 MET HA 1 22 PHE H 3.170 . 4.630 4.469 4.218 4.642 0.012 28 0 "[ . 1 . 2 . 3 . 4]" 4
28 1 22 PHE HA 1 24 ALA H 3.440 . 5.180 3.965 3.411 4.576 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
29 1 25 ALA H 1 27 ASP H 3.720 . 5.740 4.663 3.506 5.163 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
30 1 22 PHE HA 1 25 ALA H 3.160 . 4.620 3.365 3.069 3.652 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
31 1 23 LYS H 1 25 ALA H 3.650 . 5.600 4.386 3.914 4.969 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
32 1 22 PHE HA 1 26 PHE H 3.330 . 4.960 4.477 3.870 4.811 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
33 1 23 LYS HA 1 26 PHE H 2.950 . 4.200 3.388 3.127 4.035 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
34 1 23 LYS HA 1 27 ASP H 3.110 . 4.520 4.189 3.320 4.535 0.015 13 0 "[ . 1 . 2 . 3 . 4]" 4
35 1 26 PHE HA 1 28 MET H 3.620 . 5.540 3.900 3.536 4.646 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
36 1 26 PHE HA 1 29 PHE H 3.080 . 4.460 3.617 3.051 4.223 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
37 1 27 ASP HA 1 30 ASP H 2.750 . 3.800 3.385 3.031 3.805 0.005 27 0 "[ . 1 . 2 . 3 . 4]" 4
38 1 30 ASP HA 1 32 ASP H 3.100 . 4.500 3.379 2.945 4.490 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
39 1 30 ASP HA 1 33 GLY H 3.650 . 5.590 4.019 3.284 5.597 0.007 11 0 "[ . 1 . 2 . 3 . 4]" 4
40 1 33 GLY H 1 35 GLY H 3.330 . 4.950 3.909 2.945 4.971 0.021 11 0 "[ . 1 . 2 . 3 . 4]" 4
41 1 34 GLY H 1 36 ASP H 3.200 . 4.700 3.640 3.151 4.613 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
42 1 38 SER HA 1 40 LYS H 3.310 . 4.910 3.832 3.713 3.987 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
43 1 40 LYS H 1 42 LEU H 3.500 . 5.300 3.862 3.631 4.256 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
44 1 40 LYS HA 1 43 GLY H 3.750 . 5.800 4.262 3.866 4.684 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
45 1 41 ALA HA 1 43 GLY H 3.730 . 5.760 3.973 3.409 4.351 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
46 1 44 THR H 1 46 MET H 3.560 . 5.410 4.261 3.726 4.600 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
47 1 41 ALA HA 1 44 THR H 3.210 . 4.710 3.338 3.038 3.515 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
48 1 42 LEU HA 1 45 VAL H 2.850 . 4.000 3.105 2.829 3.740 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
49 1 41 ALA HA 1 45 VAL H 3.360 . 5.020 4.734 4.360 5.035 0.015 2 0 "[ . 1 . 2 . 3 . 4]" 4
50 1 44 THR HB 1 46 MET H 3.500 . 5.300 5.218 4.695 5.369 0.069 25 0 "[ . 1 . 2 . 3 . 4]" 4
51 1 42 LEU HA 1 46 MET H 3.140 . 4.580 4.187 3.497 4.611 0.031 38 0 "[ . 1 . 2 . 3 . 4]" 4
52 1 43 GLY QA 1 46 MET H 3.140 . 4.580 3.645 3.301 4.095 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
53 1 46 MET H 1 48 MET H 3.360 . 5.020 4.164 3.514 5.028 0.008 24 0 "[ . 1 . 2 . 3 . 4]" 4
54 1 44 THR HA 1 48 MET H 3.220 . 4.740 4.477 4.090 4.765 0.025 19 0 "[ . 1 . 2 . 3 . 4]" 4
55 1 45 VAL HA 1 48 MET H 3.000 . 4.300 3.475 3.005 4.263 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
56 1 44 THR MG 1 48 MET H 3.850 . 6.000 4.009 3.595 4.460 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
57 1 46 MET HA 1 49 LEU H 3.140 . 4.580 3.693 3.019 4.431 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
58 1 54 THR H 1 57 GLU H 3.330 . 4.950 4.080 3.604 4.388 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
59 1 54 THR MG 1 56 GLU H 3.830 . 5.960 3.511 1.855 4.844 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
60 1 54 THR HA 1 56 GLU H 3.440 . 5.170 4.067 3.746 4.737 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
61 1 54 THR MG 1 57 GLU H 3.850 . 6.000 3.264 1.723 4.701 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
62 1 55 LYS HA 1 58 LEU H 2.880 . 4.060 3.360 2.866 3.724 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
63 1 53 PRO QB 1 58 LEU H 3.400 . 5.100 4.161 3.578 4.509 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
64 1 58 LEU H 1 60 ALA H 3.840 . 5.980 4.240 4.038 4.531 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
65 1 55 LYS HA 1 59 ASP H 3.170 . 4.630 4.173 3.359 4.632 0.002 35 0 "[ . 1 . 2 . 3 . 4]" 4
66 1 57 GLU H 1 59 ASP H 3.390 . 5.080 4.572 3.920 4.991 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
67 1 59 ASP H 1 61 ILE H 3.550 . 5.400 4.018 3.831 4.348 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
68 1 57 GLU HA 1 60 ALA H 2.960 . 4.210 3.577 3.354 3.820 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
69 1 59 ASP HA 1 62 ILE H 3.060 . 4.420 3.523 3.286 4.001 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
70 1 60 ALA HA 1 62 ILE H 3.430 . 5.160 4.542 4.086 5.057 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
71 1 61 ILE H 1 63 GLU H 3.760 . 5.820 4.075 3.612 4.563 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
72 1 61 ILE HA 1 63 GLU H 3.680 . 5.660 4.237 3.686 4.793 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
73 1 59 ASP HA 1 63 GLU H 3.430 . 5.160 4.581 4.241 4.987 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
74 1 60 ALA HA 1 63 GLU H 3.000 . 4.300 3.540 3.278 3.813 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
75 1 62 ILE HA 1 64 GLU H 3.560 . 5.410 4.223 3.625 4.859 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
76 1 61 ILE HA 1 64 GLU H 3.150 . 4.600 3.437 3.190 3.910 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
77 1 61 ILE HA 1 65 VAL H 3.500 . 5.300 4.459 4.079 4.829 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
78 1 62 ILE HA 1 65 VAL H 3.120 . 4.540 3.312 2.981 3.635 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
79 1 64 GLU H 1 66 ASP H 3.470 . 5.240 4.105 3.647 4.578 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
80 1 62 ILE HA 1 66 ASP H 2.930 . 4.160 3.988 3.418 4.199 0.039 40 0 "[ . 1 . 2 . 3 . 4]" 4
81 1 65 VAL HA 1 67 GLU H 3.470 . 5.240 4.200 3.760 4.644 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
82 1 66 ASP HA 1 68 ASP H 3.110 . 4.520 3.214 2.995 3.705 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
83 1 68 ASP H 1 70 SER H 3.180 . 4.660 3.885 3.574 4.184 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
84 1 69 GLY H 1 71 GLY H 3.680 . 5.660 4.272 3.575 4.659 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
85 1 66 ASP HA 1 69 GLY H 3.790 . 5.880 3.551 3.161 4.076 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
86 1 68 ASP QB 1 70 SER H 3.980 . 6.250 3.339 2.253 3.909 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
87 1 70 SER H 1 72 THR H 3.040 . 4.380 3.792 3.542 4.093 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
88 1 74 ASP H 1 77 GLU QG 2.930 . 4.160 3.047 2.234 3.526 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
89 1 74 ASP H 1 77 GLU QB 2.590 . 3.480 2.040 1.841 2.496 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
90 1 74 ASP H 1 77 GLU H 3.060 . 4.410 3.142 2.883 3.342 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
91 1 74 ASP QB 1 76 GLU H 3.210 . 4.720 2.680 2.286 3.215 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
92 1 75 PHE QD 1 78 PHE H 3.560 . 5.420 4.786 4.557 4.848 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
93 1 74 ASP H 1 78 PHE H 3.400 . 5.090 4.117 3.899 4.340 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
94 1 76 GLU H 1 78 PHE H 3.330 . 4.950 3.817 3.635 4.212 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
95 1 75 PHE HA 1 78 PHE H 2.850 . 4.000 3.336 3.096 3.624 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
96 1 76 GLU HA 1 79 LEU H 3.100 . 4.500 4.007 3.568 4.293 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
97 1 77 GLU HA 1 80 VAL H 3.060 . 4.420 3.425 3.272 3.566 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
98 1 78 PHE HA 1 81 MET H 2.960 . 4.220 3.330 3.112 3.668 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
99 1 77 GLU HA 1 81 MET H 3.390 . 5.080 4.636 4.205 5.059 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
100 1 78 PHE HA 1 82 MET H 3.260 . 4.820 4.552 4.185 4.839 0.019 37 0 "[ . 1 . 2 . 3 . 4]" 4
101 1 79 LEU HA 1 82 MET H 3.020 . 4.340 3.525 3.295 3.753 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
102 1 80 VAL HA 1 83 VAL H 2.960 . 4.220 3.786 3.368 4.185 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
103 1 79 LEU HA 1 83 VAL H 3.340 . 4.980 4.223 3.783 4.515 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
104 1 81 MET HA 1 84 ARG H 3.130 . 4.560 3.614 3.361 4.115 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
105 1 82 MET HA 1 84 ARG H 3.540 . 5.380 3.891 3.717 4.759 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
106 1 80 VAL MG1 1 84 ARG H 3.850 . 6.000 4.137 3.751 4.454 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
107 1 80 VAL HA 1 84 ARG H 3.440 . 5.170 4.200 3.563 4.550 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
108 1 83 VAL HA 1 85 GLN H 3.560 . 5.420 4.184 3.234 5.207 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
109 1 81 MET HA 1 85 GLN H 3.650 . 5.600 4.783 4.084 5.567 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
110 1 83 VAL H 1 85 GLN H 3.660 . 5.620 4.745 4.163 5.312 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
111 1 83 VAL HA 1 86 MET H 2.930 . 4.160 3.201 2.538 3.768 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
112 1 84 ARG HA 1 86 MET H 3.500 . 5.300 4.657 3.808 5.314 0.014 16 0 "[ . 1 . 2 . 3 . 4]" 4
113 1 85 GLN H 1 87 LYS H 3.680 . 5.660 4.186 3.091 5.532 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
114 1 83 VAL MG1 1 87 LYS H 3.850 . 6.000 3.750 2.532 4.998 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
115 1 85 GLN HA 1 87 LYS H 3.630 . 5.560 3.926 3.127 5.370 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
116 1 85 GLN HA 1 88 GLU H 3.370 . 5.040 4.099 2.756 5.042 0.002 35 0 "[ . 1 . 2 . 3 . 4]" 4
117 1 4 THR H 1 7 GLN H 4.100 . 6.500 4.391 3.585 5.520 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
118 1 5 ASP H 1 8 ALA MB 4.350 . 7.000 4.534 4.027 5.365 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
119 1 5 ASP H 1 7 GLN H 4.100 . 6.500 4.458 3.959 5.077 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
120 1 4 THR MG 1 6 GLN H 4.350 . 7.000 4.137 3.279 4.662 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
121 1 6 GLN H 1 8 ALA MB 4.350 . 7.000 4.535 4.233 4.974 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
122 1 6 GLN H 1 8 ALA H 4.100 . 6.500 3.877 3.674 4.178 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
123 1 4 THR HA 1 6 GLN H 4.100 . 6.500 4.097 3.612 4.851 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
124 1 4 THR HA 1 7 GLN H 4.100 . 6.500 4.895 4.529 5.390 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
125 1 4 THR HB 1 7 GLN H 4.100 . 6.500 3.706 2.576 4.740 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
126 1 4 THR MG 1 7 GLN HE22 4.350 . 7.000 4.477 2.295 5.832 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
127 1 4 THR MG 1 7 GLN HE21 4.350 . 7.000 4.426 3.449 5.825 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
128 1 6 GLN HA 1 9 GLU H 4.100 . 6.500 3.815 3.445 4.517 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
129 1 10 ALA H 1 12 ALA H 4.100 . 6.500 3.846 3.600 4.283 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
130 1 9 GLU HA 1 11 ARG H 4.100 . 6.500 4.764 4.253 5.290 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
131 1 9 GLU H 1 11 ARG H 4.100 . 6.500 4.408 3.642 5.039 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
132 1 9 GLU QB 1 12 ALA H 4.100 . 6.500 4.829 4.516 5.291 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
133 1 12 ALA H 1 14 LEU H 4.100 . 6.500 3.886 3.714 4.128 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
134 1 9 GLU H 1 12 ALA H 4.100 . 6.500 4.646 4.318 4.962 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
135 1 8 ALA HA 1 12 ALA H 4.100 . 6.500 4.314 3.667 4.816 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
136 1 9 GLU HA 1 13 PHE H 4.100 . 6.500 4.193 3.858 4.621 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
137 1 10 ALA HA 1 14 LEU H 4.100 . 6.500 4.414 4.208 4.843 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
138 1 12 ALA HA 1 14 LEU H 4.100 . 6.500 4.287 4.044 4.527 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
139 1 17 GLU H 1 20 ALA MB 4.350 . 7.000 4.725 4.515 5.147 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
140 1 15 SER HA 1 18 MET H 4.100 . 6.500 4.685 4.357 5.456 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
141 1 14 LEU MD2 1 18 MET H 4.350 . 7.000 5.535 5.117 5.830 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
142 1 16 GLU H 1 18 MET H 4.100 . 6.500 4.413 3.951 5.266 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
143 1 15 SER HA 1 19 ILE H 4.100 . 6.500 5.155 4.828 5.346 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
144 1 14 LEU HA 1 19 ILE H 4.100 . 6.500 5.245 4.625 6.087 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
145 1 16 GLU HA 1 19 ILE H 4.100 . 6.500 3.647 3.105 4.030 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
146 1 20 ALA H 1 23 LYS H 4.100 . 6.500 4.838 4.653 5.150 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
147 1 19 ILE H 1 21 GLU H 4.100 . 6.500 4.341 3.891 4.771 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
148 1 21 GLU H 1 23 LYS H 4.100 . 6.500 4.004 3.692 4.511 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
149 1 19 ILE HA 1 21 GLU H 4.100 . 6.500 4.294 3.802 4.810 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
150 1 19 ILE MG 1 21 GLU H 4.350 . 7.000 4.912 4.396 5.270 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
151 1 19 ILE HA 1 22 PHE H 4.100 . 6.500 3.402 3.107 3.671 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
152 1 19 ILE MG 1 22 PHE H 4.350 . 7.000 4.549 4.252 4.848 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
153 1 23 LYS H 1 26 PHE H 4.100 . 6.500 4.931 4.669 5.619 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
154 1 23 LYS H 1 26 PHE QB 4.100 . 6.500 4.853 4.367 5.620 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
155 1 19 ILE HA 1 23 LYS H 4.100 . 6.500 4.235 3.758 5.031 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
156 1 21 GLU QB 1 23 LYS H 4.100 . 6.500 4.620 4.246 5.189 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
157 1 20 ALA HA 1 23 LYS H 4.100 . 6.500 3.591 3.345 4.018 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
158 1 23 LYS QD 1 25 ALA H 4.100 . 6.500 5.440 4.801 5.794 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
159 1 22 PHE H 1 25 ALA H 4.100 . 6.500 5.284 4.924 5.584 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
160 1 26 PHE H 1 29 PHE QD 4.100 . 6.500 4.962 4.208 5.804 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
161 1 24 ALA HA 1 27 ASP H 4.100 . 6.500 4.078 3.476 4.590 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
162 1 24 ALA MB 1 27 ASP H 4.350 . 7.000 5.151 4.540 5.500 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
163 1 23 LYS QD 1 27 ASP H 4.100 . 6.500 3.552 2.749 4.623 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
164 1 28 MET H 1 30 ASP H 4.100 . 6.500 3.814 3.508 4.474 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
165 1 26 PHE H 1 28 MET H 4.100 . 6.500 3.890 3.668 4.925 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
166 1 26 PHE QB 1 28 MET H 4.100 . 6.500 4.236 3.998 5.386 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
167 1 27 ASP H 1 29 PHE H 4.100 . 6.500 4.648 3.839 5.351 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
168 1 28 MET HA 1 30 ASP H 4.100 . 6.500 3.924 3.511 4.829 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
169 1 31 ALA MB 1 33 GLY H 4.350 . 7.000 4.463 3.968 5.030 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
170 1 39 THR H 1 41 ALA H 4.100 . 6.500 4.407 4.041 4.896 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
171 1 38 SER HA 1 41 ALA H 4.100 . 6.500 4.763 4.382 5.123 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
172 1 40 LYS HA 1 42 LEU H 4.100 . 6.500 3.907 3.499 4.338 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
173 1 37 ILE MD 1 42 LEU H 4.350 . 7.000 3.318 2.397 4.137 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
174 1 42 LEU H 1 45 VAL MG2 4.350 . 7.000 4.024 3.430 4.761 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
175 1 42 LEU H 1 44 THR H 4.100 . 6.500 4.271 3.776 4.786 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
176 1 43 GLY H 1 45 VAL H 4.100 . 6.500 4.171 3.788 4.547 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
177 1 41 ALA MB 1 44 THR H 4.350 . 7.000 4.197 3.922 4.376 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
178 1 44 THR H 1 47 ARG H 4.100 . 6.500 5.134 4.642 5.816 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
179 1 42 LEU H 1 45 VAL H 4.100 . 6.500 4.809 4.529 5.266 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
180 1 41 ALA MB 1 45 VAL H 4.350 . 7.000 4.313 3.915 4.623 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
181 1 45 VAL H 1 47 ARG H 4.100 . 6.500 4.382 3.735 5.200 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
182 1 42 LEU MD2 1 45 VAL H 4.350 . 7.000 5.455 4.692 5.932 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
183 1 44 THR MG 1 46 MET H 4.350 . 7.000 4.955 3.980 5.446 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
184 1 47 ARG H 1 52 ASN HA 4.100 . 6.500 5.041 3.576 6.392 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
185 1 45 VAL MG1 1 47 ARG H 4.350 . 7.000 5.099 4.395 5.829 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
186 1 45 VAL HA 1 47 ARG H 4.100 . 6.500 4.504 3.708 5.477 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
187 1 45 VAL MG1 1 48 MET H 4.350 . 7.000 4.477 4.074 5.166 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
188 1 45 VAL MG2 1 48 MET H 4.350 . 7.000 5.225 4.917 5.802 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
189 1 45 VAL MG1 1 49 LEU H 4.350 . 7.000 3.895 2.999 4.919 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
190 1 47 ARG HA 1 51 GLN H 4.100 . 6.500 4.305 1.917 6.344 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
191 1 49 LEU H 1 51 GLN H 4.100 . 6.500 4.740 3.365 6.189 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
192 1 54 THR H 1 58 LEU H 4.100 . 6.500 4.810 4.414 5.252 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
193 1 55 LYS H 1 57 GLU H 4.100 . 6.500 4.784 4.067 5.433 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
194 1 56 GLU H 1 59 ASP QB 4.100 . 6.500 5.417 4.852 5.799 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
195 1 56 GLU H 1 58 LEU H 4.100 . 6.500 3.869 3.541 4.348 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
196 1 56 GLU H 1 59 ASP H 4.100 . 6.500 4.961 4.612 5.179 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
197 1 59 ASP HA 1 61 ILE H 4.100 . 6.500 4.163 3.881 4.545 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
198 1 59 ASP QB 1 61 ILE H 4.100 . 6.500 4.490 4.294 5.153 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
199 1 60 ALA MB 1 62 ILE H 4.350 . 7.000 4.734 4.477 5.035 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
200 1 62 ILE H 1 64 GLU H 4.100 . 6.500 4.238 3.745 4.825 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
201 1 60 ALA H 1 62 ILE H 4.100 . 6.500 4.404 4.113 4.778 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
202 1 59 ASP QB 1 63 GLU H 4.100 . 6.500 5.363 4.957 5.699 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
203 1 60 ALA MB 1 63 GLU H 4.350 . 7.000 4.652 4.446 4.985 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
204 1 63 GLU H 1 66 ASP QB 4.100 . 6.500 5.210 4.847 5.699 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
205 1 62 ILE HB 1 64 GLU H 4.100 . 6.500 5.047 4.453 5.591 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
206 1 63 GLU H 1 65 VAL H 4.100 . 6.500 3.906 3.654 4.245 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
207 1 61 ILE MG 1 66 ASP H 4.350 . 7.000 5.636 5.356 5.841 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
208 1 66 ASP QB 1 69 GLY H 4.100 . 6.500 2.708 2.221 3.440 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
209 1 66 ASP QB 1 71 GLY H 4.100 . 6.500 3.818 3.039 4.498 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
210 1 69 GLY QA 1 71 GLY H 4.100 . 6.500 3.159 2.881 3.637 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
211 1 74 ASP H 1 77 GLU HA 4.100 . 6.500 4.855 4.563 5.214 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
212 1 75 PHE H 1 77 GLU H 4.100 . 6.500 4.454 4.004 4.848 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
213 1 74 ASP HA 1 76 GLU H 4.100 . 6.500 4.402 4.005 4.910 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
214 1 73 ILE MD 1 78 PHE H 4.350 . 7.000 5.075 4.600 5.448 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
215 1 76 GLU HA 1 78 PHE H 4.100 . 6.500 3.985 3.813 4.191 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
216 1 77 GLU H 1 79 LEU H 4.100 . 6.500 4.725 4.175 5.056 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
217 1 75 PHE QE 1 79 LEU H 4.100 . 6.500 5.326 4.952 5.798 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
218 1 79 LEU H 1 81 MET H 4.100 . 6.500 4.567 4.211 4.946 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
219 1 75 PHE QD 1 79 LEU H 4.100 . 6.500 4.890 4.556 5.198 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
220 1 76 GLU HA 1 80 VAL H 4.100 . 6.500 5.255 4.799 5.586 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
221 1 78 PHE QD 1 80 VAL H 4.100 . 6.500 5.079 4.371 5.564 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
222 1 78 PHE HA 1 80 VAL H 4.100 . 6.500 3.938 3.718 4.260 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
223 1 78 PHE H 1 80 VAL H 4.100 . 6.500 3.874 3.632 4.088 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
224 1 81 MET H 1 83 VAL H 4.100 . 6.500 4.843 4.420 5.261 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
225 1 78 PHE QD 1 81 MET H 4.100 . 6.500 5.225 4.905 5.651 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
226 1 79 LEU HA 1 81 MET H 4.100 . 6.500 4.618 4.169 5.166 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
227 1 82 MET H 1 85 GLN H 4.100 . 6.500 5.352 4.579 5.857 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
228 1 78 PHE QD 1 82 MET H 4.100 . 6.500 4.851 4.227 5.480 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
229 1 82 MET H 1 84 ARG H 4.100 . 6.500 3.672 3.534 4.080 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
230 1 81 MET HA 1 83 VAL H 4.100 . 6.500 5.136 4.717 5.544 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
231 1 80 VAL MG2 1 83 VAL H 4.350 . 7.000 5.420 5.058 5.795 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
232 1 83 VAL MG1 1 85 GLN H 4.350 . 7.000 5.072 4.094 5.796 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
233 1 82 MET ME 1 86 MET H 4.350 . 7.000 5.664 4.968 5.834 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
234 1 83 VAL MG1 1 86 MET H 4.350 . 7.000 4.356 3.542 5.048 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
235 1 88 GLU H 1 90 ALA H 4.100 . 6.500 5.114 2.622 6.418 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
236 1 88 GLU QB 1 90 ALA H 4.100 . 6.500 4.144 2.300 5.760 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
237 1 10 ALA HA 1 13 PHE QB 2.900 . 4.090 3.213 2.623 3.597 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
238 1 7 GLN HA 1 10 ALA MB 3.040 . 4.370 2.344 1.984 3.296 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
239 1 22 PHE HA 1 25 ALA MB 2.990 . 4.280 3.071 2.509 3.568 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
240 1 41 ALA HA 1 44 THR HB 2.650 . 3.600 3.430 2.572 3.622 0.022 6 0 "[ . 1 . 2 . 3 . 4]" 4
241 1 37 ILE MD 1 41 ALA MB 3.500 . 5.290 2.619 1.872 3.690 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
242 1 37 ILE MG 1 41 ALA MB 3.850 . 6.000 4.101 3.636 4.181 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
243 1 38 SER QB 1 41 ALA MB 3.810 . 5.920 3.384 2.485 4.372 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
244 1 41 ALA MB 1 45 VAL MG2 3.850 . 6.000 3.204 2.580 3.749 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
245 1 60 ALA HA 1 63 GLU QB 3.440 . 5.170 2.867 2.254 4.320 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
246 1 5 ASP HA 1 8 ALA MB 2.970 . 4.240 2.183 1.843 2.990 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
247 1 59 ASP HA 1 62 ILE HB 2.770 . 3.840 3.121 3.006 3.557 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
248 1 16 GLU HA 1 19 ILE HB 2.770 . 3.830 2.655 1.957 3.259 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
249 1 16 GLU HA 1 19 ILE MG 3.590 . 5.480 3.949 2.968 4.561 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
250 1 17 GLU HA 1 20 ALA MB 3.010 . 4.320 2.885 2.371 3.481 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
251 1 56 GLU HA 1 59 ASP QB 3.600 . 5.500 3.368 2.595 4.444 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
252 1 57 GLU HA 1 60 ALA MB 3.480 . 5.250 2.791 2.478 3.394 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
253 1 61 ILE HA 1 64 GLU QB 3.400 . 5.090 3.006 2.186 4.281 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
254 1 77 GLU HA 1 80 VAL MG2 3.210 . 4.710 2.402 1.872 2.974 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
255 1 73 ILE MG 1 77 GLU QB 3.450 . 5.200 1.918 1.609 2.306 0.091 34 0 "[ . 1 . 2 . 3 . 4]" 4
256 1 9 GLU HA 1 12 ALA MB 3.230 . 4.760 2.238 1.954 2.699 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
257 1 6 GLN HA 1 9 GLU QB 3.080 . 4.460 3.622 2.643 3.991 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
258 1 75 PHE HA 1 78 PHE QB 2.830 . 3.950 2.162 1.840 2.634 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
259 1 73 ILE MG 1 78 PHE HA 3.450 . 5.200 2.895 2.500 3.267 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
260 1 78 PHE HA 1 81 MET QB 2.980 . 4.260 3.047 2.483 3.768 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
261 1 78 PHE HA 1 81 MET ME 3.850 . 6.000 3.628 1.733 4.534 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
262 1 73 ILE MG 1 78 PHE QB 3.870 . 6.040 3.213 2.498 3.719 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
263 1 16 GLU HA 1 19 ILE MD 2.910 . 4.120 2.591 1.848 3.338 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
264 1 14 LEU QB 1 19 ILE MD 3.190 . 4.670 2.011 1.789 2.338 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
265 1 14 LEU MD2 1 19 ILE MD 3.850 . 6.000 4.120 3.825 4.175 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
266 1 19 ILE MG 1 23 LYS QB 3.850 . 6.000 3.518 3.011 4.310 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
267 1 37 ILE MD 1 42 LEU HA 2.980 . 4.260 2.951 2.241 3.560 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
268 1 37 ILE MD 1 42 LEU MD1 3.250 . 4.790 2.087 1.578 3.099 0.122 7 0 "[ . 1 . 2 . 3 . 4]" 4
269 1 37 ILE MD 1 42 LEU MD2 3.850 . 6.000 2.560 1.551 4.065 0.149 22 0 "[ . 1 . 2 . 3 . 4]" 4
270 1 37 ILE MG 1 42 LEU MD1 3.850 . 6.000 3.553 2.532 4.211 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
271 1 37 ILE MG 1 42 LEU MD2 3.850 . 6.000 3.848 2.963 4.182 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
272 1 58 LEU HA 1 61 ILE HB 2.480 . 3.270 2.445 2.295 2.538 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
273 1 58 LEU HA 1 61 ILE MG 3.090 . 4.480 3.728 3.578 3.757 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
274 1 62 ILE HA 1 65 VAL HB 3.060 . 4.420 2.584 2.048 3.342 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
275 1 59 ASP HA 1 62 ILE MD 2.830 . 3.960 2.384 1.785 3.046 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
276 1 59 ASP HA 1 62 ILE MG 3.500 . 5.300 4.404 4.289 4.440 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
277 1 62 ILE MG 1 66 ASP QB 3.760 . 5.820 3.144 2.421 3.581 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
278 1 23 LYS HA 1 26 PHE QB 2.920 . 4.130 2.600 2.030 3.257 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
279 1 55 LYS HA 1 58 LEU QB 3.540 . 5.380 2.322 1.855 2.930 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
280 1 55 LYS HA 1 58 LEU MD1 3.610 . 5.520 3.624 2.213 4.598 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
281 1 14 LEU MD1 1 19 ILE HA 3.690 . 5.670 4.119 3.488 4.592 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
282 1 11 ARG HA 1 14 LEU MD1 3.040 . 4.380 2.884 2.074 3.501 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
283 1 14 LEU MD2 1 18 MET QB 3.830 . 5.960 3.068 2.389 3.663 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
284 1 46 MET HA 1 49 LEU QB 3.620 . 5.540 3.505 1.849 4.966 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
285 1 46 MET HA 1 49 LEU MD1 3.170 . 4.630 3.331 1.959 3.883 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
286 1 58 LEU HA 1 61 ILE MD 3.080 . 4.460 2.221 1.822 2.804 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
287 1 76 GLU HA 1 79 LEU MD1 2.920 . 4.130 3.068 2.036 3.453 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
288 1 18 MET HA 1 21 GLU QB 2.890 . 4.080 3.140 2.392 3.659 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
289 1 14 LEU MD2 1 18 MET ME 3.850 . 6.000 3.299 1.730 4.124 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
290 1 53 PRO QG 1 58 LEU MD1 3.850 . 6.000 2.763 1.855 4.185 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
291 1 8 ALA HA 1 11 ARG QB 3.850 . 6.000 3.629 2.786 4.847 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
292 1 7 GLN QB 1 11 ARG QD 3.470 . 5.240 3.701 2.708 4.125 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
293 1 81 MET HA 1 84 ARG QB 3.850 . 6.000 2.264 1.891 3.592 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
294 1 81 MET HA 1 84 ARG QD 3.850 . 6.000 2.830 1.919 3.574 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
295 1 80 VAL MG1 1 84 ARG QD 3.850 . 6.000 2.469 1.705 3.327 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
296 1 38 SER QB 1 40 LYS QB 3.220 . 4.740 3.105 2.283 3.770 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
297 1 39 THR HA 1 42 LEU QB 3.250 . 4.800 2.579 1.850 4.274 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
298 1 39 THR HA 1 42 LEU MD1 3.720 . 5.740 3.551 2.282 4.152 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
299 1 39 THR HA 1 42 LEU MD2 3.850 . 6.000 1.937 1.700 2.692 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
300 1 39 THR HA 1 42 LEU HG 3.140 . 4.580 3.792 2.483 4.617 0.037 35 0 "[ . 1 . 2 . 3 . 4]" 4
301 1 39 THR HB 1 42 LEU MD1 3.850 . 6.000 4.966 4.529 5.081 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
302 1 62 ILE HA 1 65 VAL MG1 3.850 . 6.000 3.969 3.527 4.648 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
303 1 62 ILE HA 1 65 VAL MG2 2.740 . 3.780 2.779 1.845 3.154 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
304 1 80 VAL HA 1 83 VAL HB 2.720 . 3.740 3.390 2.697 3.752 0.012 17 0 "[ . 1 . 2 . 3 . 4]" 4
305 1 80 VAL HA 1 83 VAL MG2 3.690 . 5.670 3.547 2.659 4.336 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
306 1 77 GLU HA 1 80 VAL HB 2.600 . 3.500 2.962 2.454 3.445 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
307 1 83 VAL HA 1 86 MET QB 2.940 . 4.170 2.560 1.832 3.739 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
308 1 83 VAL HA 1 86 MET ME 3.850 . 6.000 3.330 2.262 4.286 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
309 1 10 ALA MB 1 14 LEU MD1 4.100 . 6.500 2.672 2.220 3.244 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
310 1 41 ALA MB 1 44 THR HB 4.100 . 6.500 3.475 2.931 3.878 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
311 1 8 ALA HA 1 11 ARG QD 4.100 . 6.500 4.678 1.915 5.688 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
312 1 27 ASP HA 1 30 ASP QB 4.100 . 6.500 2.532 1.844 4.276 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
313 1 56 GLU HA 1 60 ALA MB 4.100 . 6.500 5.203 4.666 5.430 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
314 1 19 ILE HA 1 22 PHE QB 4.100 . 6.500 2.710 2.010 3.394 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
315 1 20 ALA HA 1 23 LYS QB 4.100 . 6.500 2.827 2.265 3.516 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
316 1 83 VAL MG1 1 87 LYS QD 4.100 . 6.500 3.343 2.150 4.737 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
317 1 83 VAL MG1 1 87 LYS QE 4.100 . 6.500 3.397 2.007 4.728 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
318 1 83 VAL MG1 1 87 LYS QG 4.100 . 6.500 2.778 1.709 4.603 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
319 1 42 LEU HA 1 45 VAL MG1 4.100 . 6.500 3.962 3.293 4.969 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
320 1 42 LEU HA 1 45 VAL MG2 4.100 . 6.500 2.125 1.789 2.997 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
321 1 42 LEU MD1 1 45 VAL MG2 4.100 . 6.500 2.411 1.829 3.379 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
322 1 39 THR MG 1 42 LEU MD2 4.100 . 6.500 2.859 2.184 3.456 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
323 1 42 LEU MD2 1 45 VAL MG2 4.100 . 6.500 3.849 3.000 4.486 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
324 1 45 VAL MG1 1 49 LEU MD1 4.100 . 6.500 2.487 1.696 4.094 0.004 26 0 "[ . 1 . 2 . 3 . 4]" 4
325 1 3 MET QG 1 8 ALA MB 4.100 . 6.500 4.237 2.720 4.825 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
326 1 47 ARG QG 1 52 ASN HA 4.100 . 6.500 4.234 2.512 5.714 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
327 1 46 MET ME 1 51 GLN QG 4.100 . 6.500 3.983 2.691 4.816 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
328 1 44 THR MG 1 48 MET ME 4.100 . 6.500 3.035 1.657 4.512 0.043 4 0 "[ . 1 . 2 . 3 . 4]" 4
329 1 45 VAL HA 1 48 MET ME 4.100 . 6.500 3.373 1.865 4.153 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
330 1 42 LEU HA 1 45 VAL HB 4.100 . 6.500 2.707 1.896 3.749 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
331 1 45 VAL MG1 1 48 MET ME 4.100 . 6.500 4.044 2.001 4.515 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
332 1 45 VAL MG2 1 49 LEU MD2 4.100 . 6.500 4.495 3.966 4.535 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
333 1 45 VAL MG2 1 48 MET ME 4.100 . 6.500 3.955 2.338 4.508 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
334 1 80 VAL HA 1 83 VAL MG1 4.100 . 6.500 4.793 4.151 5.154 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
335 1 80 VAL MG1 1 84 ARG QB 4.100 . 6.500 3.387 2.451 4.272 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
336 1 83 VAL MG1 1 86 MET ME 4.100 . 6.500 3.757 1.627 4.446 0.073 5 0 "[ . 1 . 2 . 3 . 4]" 4
337 1 83 VAL MG2 1 86 MET ME 4.100 . 6.500 3.184 1.933 4.478 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
338 1 23 LYS HA 1 26 PHE QD 3.850 . 6.000 4.329 3.586 5.049 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
339 1 26 PHE HA 1 29 PHE QD 2.980 . 4.260 3.039 1.969 3.807 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
340 1 75 PHE QD 1 78 PHE QB 3.310 . 4.920 3.010 2.739 3.324 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
341 1 75 PHE QD 1 79 LEU MD1 3.850 . 6.000 4.062 3.363 4.349 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
342 1 75 PHE QD 1 79 LEU MD2 3.850 . 6.000 4.429 4.244 4.469 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
343 1 75 PHE QE 1 79 LEU MD1 3.390 . 5.080 3.697 3.366 3.789 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
344 1 75 PHE QE 1 79 LEU MD2 3.380 . 5.060 3.547 3.277 3.744 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
345 1 75 PHE HZ 1 79 LEU MD1 3.850 . 6.000 4.385 3.781 4.781 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
346 1 75 PHE HZ 1 79 LEU MD2 3.580 . 5.460 3.481 3.204 3.816 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
347 1 78 PHE QD 1 82 MET ME 3.850 . 6.000 4.208 3.165 4.468 . 0 0 "[ . 1 . 2 . 3 . 4]" 4
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