NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
618955 |
5uoi   |
30240 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_5uoi
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 375
_Distance_constraint_stats_list.Viol_count 112
_Distance_constraint_stats_list.Viol_total 148.439
_Distance_constraint_stats_list.Viol_max 0.273
_Distance_constraint_stats_list.Viol_rms 0.0102
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0010
_Distance_constraint_stats_list.Viol_average_violations_only 0.0663
_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 TRP 0.150 0.087 13 0 "[ . 1 . 2]"
1 4 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 5 GLU 0.248 0.113 14 0 "[ . 1 . 2]"
1 6 ILE 1.012 0.223 8 0 "[ . 1 . 2]"
1 7 ALA 0.275 0.113 14 0 "[ . 1 . 2]"
1 8 GLU 0.779 0.154 20 0 "[ . 1 . 2]"
1 9 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 LEU 1.303 0.214 2 0 "[ . 1 . 2]"
1 11 ARG 0.216 0.096 1 0 "[ . 1 . 2]"
1 12 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 GLU 0.780 0.118 10 0 "[ . 1 . 2]"
1 14 PHE 0.031 0.031 14 0 "[ . 1 . 2]"
1 15 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 ILE 0.470 0.126 17 0 "[ . 1 . 2]"
1 17 ASN 1.153 0.273 6 0 "[ . 1 . 2]"
1 18 PRO 1.153 0.273 6 0 "[ . 1 . 2]"
1 19 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 GLU 0.055 0.031 19 0 "[ . 1 . 2]"
1 21 ALA 0.065 0.065 11 0 "[ . 1 . 2]"
1 22 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 24 ALA 0.055 0.030 20 0 "[ . 1 . 2]"
1 25 VAL 0.408 0.091 11 0 "[ . 1 . 2]"
1 26 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 LYS 0.098 0.098 15 0 "[ . 1 . 2]"
1 28 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 29 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 GLY 0.317 0.091 11 0 "[ . 1 . 2]"
1 31 ASN 0.659 0.112 10 0 "[ . 1 . 2]"
1 32 GLU 1.498 0.223 8 0 "[ . 1 . 2]"
1 33 GLU 0.765 0.206 12 0 "[ . 1 . 2]"
1 34 GLU 0.006 0.006 7 0 "[ . 1 . 2]"
1 35 ALA 0.035 0.035 16 0 "[ . 1 . 2]"
1 36 ARG 0.792 0.206 12 0 "[ . 1 . 2]"
1 37 ARG 0.476 0.140 14 0 "[ . 1 . 2]"
1 38 ILE 0.455 0.140 14 0 "[ . 1 . 2]"
1 39 VAL 0.712 0.214 2 0 "[ . 1 . 2]"
1 40 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 41 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 42 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 43 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
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 TRP HA 1 6 ILE H 4.000 . 5.000 3.522 2.868 4.513 . 0 0 "[ . 1 . 2]" 1
2 1 3 TRP HA 1 6 ILE HB 4.000 . 5.000 3.192 2.228 4.320 . 0 0 "[ . 1 . 2]" 1
3 1 3 TRP HA 1 6 ILE MD 4.000 . 5.000 2.843 1.713 4.616 0.087 13 0 "[ . 1 . 2]" 1
4 1 3 TRP HA 1 25 VAL QG 4.000 . 5.000 3.287 2.006 4.627 . 0 0 "[ . 1 . 2]" 1
5 1 3 TRP QB 1 4 GLU H 4.000 . 6.000 3.991 3.729 4.127 . 0 0 "[ . 1 . 2]" 1
6 1 3 TRP QB 1 6 ILE MD 4.000 . 5.000 3.474 2.191 4.952 . 0 0 "[ . 1 . 2]" 1
7 1 3 TRP QB 1 25 VAL MG1 4.000 . 5.000 2.698 1.926 5.003 0.003 19 0 "[ . 1 . 2]" 1
8 1 3 TRP QB 1 25 VAL QG 4.000 . 5.000 2.084 1.769 3.751 0.031 15 0 "[ . 1 . 2]" 1
9 1 3 TRP QB 1 25 VAL MG2 4.000 . 5.000 2.440 1.772 3.875 0.028 15 0 "[ . 1 . 2]" 1
10 1 4 GLU HA 1 7 ALA H 4.000 . 5.000 3.714 2.875 4.610 . 0 0 "[ . 1 . 2]" 1
11 1 4 GLU HA 1 7 ALA MB 4.000 . 5.000 3.038 2.173 4.223 . 0 0 "[ . 1 . 2]" 1
12 1 5 GLU HA 1 7 ALA H 4.000 . 5.000 4.689 3.940 5.113 0.113 14 0 "[ . 1 . 2]" 1
13 1 6 ILE H 1 6 ILE HB 3.000 . 3.500 2.560 2.372 2.720 . 0 0 "[ . 1 . 2]" 1
14 1 6 ILE H 1 6 ILE MD 4.000 . 5.000 3.355 1.808 3.693 . 0 0 "[ . 1 . 2]" 1
15 1 6 ILE H 1 6 ILE HG12 4.000 . 5.000 3.203 2.051 3.990 . 0 0 "[ . 1 . 2]" 1
16 1 6 ILE H 1 6 ILE QG 3.000 . 3.500 2.193 1.884 3.410 . 0 0 "[ . 1 . 2]" 1
17 1 6 ILE H 1 6 ILE HG13 4.000 . 5.000 2.459 1.903 3.720 . 0 0 "[ . 1 . 2]" 1
18 1 6 ILE H 1 6 ILE MG 4.000 . 5.000 3.810 3.760 3.846 . 0 0 "[ . 1 . 2]" 1
19 1 6 ILE H 1 7 ALA H 4.000 . 5.000 2.642 2.422 2.849 . 0 0 "[ . 1 . 2]" 1
20 1 6 ILE H 1 32 GLU QG 4.000 . 5.000 4.665 4.154 5.059 0.059 16 0 "[ . 1 . 2]" 1
21 1 6 ILE HA 1 6 ILE MD 4.000 . 5.000 3.567 2.195 3.960 . 0 0 "[ . 1 . 2]" 1
22 1 6 ILE HA 1 8 GLU H 4.000 . 6.000 4.196 3.451 4.956 . 0 0 "[ . 1 . 2]" 1
23 1 6 ILE HA 1 9 ARG H 4.000 . 6.000 4.099 3.466 5.321 . 0 0 "[ . 1 . 2]" 1
24 1 6 ILE HA 1 32 GLU QB 4.000 . 5.000 4.047 1.893 5.012 0.012 15 0 "[ . 1 . 2]" 1
25 1 6 ILE HA 1 32 GLU HG2 4.000 . 5.000 2.924 2.009 4.490 . 0 0 "[ . 1 . 2]" 1
26 1 6 ILE HA 1 32 GLU QG 4.000 . 5.000 2.662 1.997 3.572 . 0 0 "[ . 1 . 2]" 1
27 1 6 ILE HA 1 32 GLU HG3 4.000 . 5.000 3.755 2.298 5.100 0.100 5 0 "[ . 1 . 2]" 1
28 1 6 ILE HB 1 7 ALA H 4.000 . 5.000 2.522 2.169 3.425 . 0 0 "[ . 1 . 2]" 1
29 1 6 ILE HB 1 7 ALA MB 4.000 . 5.000 3.788 3.313 4.236 . 0 0 "[ . 1 . 2]" 1
30 1 6 ILE HB 1 25 VAL MG1 4.000 . 6.000 4.095 2.618 5.220 . 0 0 "[ . 1 . 2]" 1
31 1 6 ILE HB 1 25 VAL QG 4.000 . 5.000 2.585 1.793 3.358 0.007 8 0 "[ . 1 . 2]" 1
32 1 6 ILE HB 1 25 VAL MG2 4.000 . 6.000 2.669 1.796 3.457 0.004 8 0 "[ . 1 . 2]" 1
33 1 6 ILE MD 1 6 ILE MG 3.000 . 3.500 2.156 1.964 3.308 . 0 0 "[ . 1 . 2]" 1
34 1 6 ILE MD 1 7 ALA H 4.000 . 6.000 4.476 3.690 5.111 . 0 0 "[ . 1 . 2]" 1
35 1 6 ILE MD 1 30 GLY QA 4.000 . 5.000 2.677 1.910 3.752 . 0 0 "[ . 1 . 2]" 1
36 1 6 ILE MD 1 31 ASN HA 4.000 . 5.000 3.604 2.265 4.682 . 0 0 "[ . 1 . 2]" 1
37 1 6 ILE MD 1 32 GLU H 4.000 . 6.000 3.619 2.763 4.993 . 0 0 "[ . 1 . 2]" 1
38 1 6 ILE MD 1 32 GLU HA 4.000 . 5.000 3.639 2.132 5.223 0.223 8 0 "[ . 1 . 2]" 1
39 1 6 ILE MD 1 32 GLU QG 4.000 . 5.000 3.085 2.152 4.874 . 0 0 "[ . 1 . 2]" 1
40 1 6 ILE QG 1 30 GLY QA 4.000 . 6.000 4.006 2.493 5.656 . 0 0 "[ . 1 . 2]" 1
41 1 6 ILE QG 1 32 GLU QB 4.000 . 6.000 3.875 1.902 5.577 . 0 0 "[ . 1 . 2]" 1
42 1 6 ILE MG 1 7 ALA H 4.000 . 5.000 3.440 3.063 4.153 . 0 0 "[ . 1 . 2]" 1
43 1 6 ILE MG 1 7 ALA HA 4.000 . 5.000 3.537 3.094 4.277 . 0 0 "[ . 1 . 2]" 1
44 1 6 ILE MG 1 7 ALA MB 4.000 . 6.000 3.980 3.646 4.577 . 0 0 "[ . 1 . 2]" 1
45 1 6 ILE MG 1 25 VAL HB 4.000 . 5.000 3.332 2.275 4.663 . 0 0 "[ . 1 . 2]" 1
46 1 6 ILE MG 1 28 ALA MB 4.000 . 6.000 3.918 3.326 4.350 . 0 0 "[ . 1 . 2]" 1
47 1 6 ILE MG 1 32 GLU HA 4.000 . 5.000 2.244 1.757 3.114 0.043 3 0 "[ . 1 . 2]" 1
48 1 6 ILE MG 1 32 GLU QB 4.000 . 5.000 3.307 2.662 3.769 . 0 0 "[ . 1 . 2]" 1
49 1 6 ILE MG 1 32 GLU HG2 4.000 . 5.000 2.502 1.702 3.540 0.098 9 0 "[ . 1 . 2]" 1
50 1 6 ILE MG 1 32 GLU QG 4.000 . 5.000 2.277 1.690 3.169 0.110 9 0 "[ . 1 . 2]" 1
51 1 6 ILE MG 1 32 GLU HG3 4.000 . 5.000 3.176 1.779 4.443 0.021 7 0 "[ . 1 . 2]" 1
52 1 6 ILE MG 1 35 ALA MB 4.000 . 5.000 2.799 2.061 3.499 . 0 0 "[ . 1 . 2]" 1
53 1 7 ALA H 1 7 ALA MB 3.000 . 3.500 2.266 2.223 2.373 . 0 0 "[ . 1 . 2]" 1
54 1 7 ALA H 1 25 VAL MG1 4.000 . 6.000 4.506 3.350 5.627 . 0 0 "[ . 1 . 2]" 1
55 1 7 ALA H 1 25 VAL QG 4.000 . 5.000 3.581 2.798 4.807 . 0 0 "[ . 1 . 2]" 1
56 1 7 ALA H 1 25 VAL MG2 4.000 . 6.000 3.808 2.866 5.219 . 0 0 "[ . 1 . 2]" 1
57 1 7 ALA HA 1 10 LEU H 4.000 . 5.000 3.520 3.004 4.412 . 0 0 "[ . 1 . 2]" 1
58 1 7 ALA HA 1 10 LEU HB2 4.000 . 5.000 2.873 2.095 4.015 . 0 0 "[ . 1 . 2]" 1
59 1 7 ALA HA 1 10 LEU QD 4.000 . 5.000 2.847 2.024 3.710 . 0 0 "[ . 1 . 2]" 1
60 1 7 ALA HA 1 21 ALA MB 4.000 . 5.000 3.067 2.200 3.956 . 0 0 "[ . 1 . 2]" 1
61 1 7 ALA HA 1 25 VAL QG 4.000 . 6.000 3.728 2.289 5.718 . 0 0 "[ . 1 . 2]" 1
62 1 7 ALA MB 1 8 GLU H 4.000 . 5.000 2.960 2.677 3.520 . 0 0 "[ . 1 . 2]" 1
63 1 7 ALA MB 1 8 GLU HA 4.000 . 5.000 4.036 3.833 4.231 . 0 0 "[ . 1 . 2]" 1
64 1 7 ALA MB 1 10 LEU HB2 4.000 . 6.000 4.329 3.391 5.329 . 0 0 "[ . 1 . 2]" 1
65 1 7 ALA MB 1 25 VAL HB 4.000 . 6.000 3.995 2.838 5.156 . 0 0 "[ . 1 . 2]" 1
66 1 7 ALA MB 1 25 VAL QG 4.000 . 5.000 2.790 1.773 4.453 0.027 6 0 "[ . 1 . 2]" 1
67 1 8 GLU H 1 8 GLU QB 3.000 . 3.500 2.289 2.173 2.577 . 0 0 "[ . 1 . 2]" 1
68 1 8 GLU H 1 9 ARG H 4.000 . 5.000 2.748 2.288 3.019 . 0 0 "[ . 1 . 2]" 1
69 1 8 GLU H 1 10 LEU HB2 4.000 . 5.000 4.925 4.483 5.154 0.154 20 0 "[ . 1 . 2]" 1
70 1 9 ARG H 1 9 ARG HB2 4.000 . 5.000 2.571 2.317 2.735 . 0 0 "[ . 1 . 2]" 1
71 1 9 ARG H 1 9 ARG QB 3.000 . 3.500 2.320 2.208 2.591 . 0 0 "[ . 1 . 2]" 1
72 1 9 ARG H 1 9 ARG HB3 4.000 . 5.000 2.816 2.341 3.656 . 0 0 "[ . 1 . 2]" 1
73 1 9 ARG H 1 9 ARG QG 4.000 . 5.000 3.661 2.106 4.123 . 0 0 "[ . 1 . 2]" 1
74 1 9 ARG H 1 10 LEU H 4.000 . 5.000 2.558 2.276 2.755 . 0 0 "[ . 1 . 2]" 1
75 1 9 ARG HA 1 9 ARG HG2 4.000 . 5.000 3.188 2.488 3.893 . 0 0 "[ . 1 . 2]" 1
76 1 9 ARG HA 1 9 ARG HG3 4.000 . 5.000 2.861 2.409 3.764 . 0 0 "[ . 1 . 2]" 1
77 1 9 ARG HA 1 12 GLU H 4.000 . 5.000 3.477 2.865 3.915 . 0 0 "[ . 1 . 2]" 1
78 1 9 ARG HA 1 12 GLU QB 4.000 . 5.000 2.875 1.980 4.428 . 0 0 "[ . 1 . 2]" 1
79 1 9 ARG QB 1 10 LEU QD 4.000 . 6.000 4.248 2.791 5.122 . 0 0 "[ . 1 . 2]" 1
80 1 9 ARG QG 1 12 GLU H 4.000 . 6.000 4.954 4.127 5.946 . 0 0 "[ . 1 . 2]" 1
81 1 10 LEU H 1 10 LEU HB2 3.000 . 3.500 2.374 2.199 2.634 . 0 0 "[ . 1 . 2]" 1
82 1 10 LEU H 1 10 LEU HB3 4.000 . 5.000 2.928 2.307 3.623 . 0 0 "[ . 1 . 2]" 1
83 1 10 LEU H 1 10 LEU QD 4.000 . 5.000 3.366 2.274 3.770 . 0 0 "[ . 1 . 2]" 1
84 1 10 LEU H 1 10 LEU HG 4.000 . 5.000 4.141 2.146 4.619 . 0 0 "[ . 1 . 2]" 1
85 1 10 LEU H 1 21 ALA MB 4.000 . 6.000 4.976 4.027 5.860 . 0 0 "[ . 1 . 2]" 1
86 1 10 LEU HA 1 10 LEU QD 4.000 . 5.000 2.105 1.871 3.038 . 0 0 "[ . 1 . 2]" 1
87 1 10 LEU HA 1 13 GLU H 4.000 . 5.000 3.773 3.046 4.780 . 0 0 "[ . 1 . 2]" 1
88 1 10 LEU HA 1 13 GLU QB 4.000 . 5.000 3.001 2.218 4.408 . 0 0 "[ . 1 . 2]" 1
89 1 10 LEU HA 1 14 PHE H 4.000 . 6.000 4.179 3.659 5.038 . 0 0 "[ . 1 . 2]" 1
90 1 10 LEU HB2 1 11 ARG H 4.000 . 5.000 3.448 2.418 3.961 . 0 0 "[ . 1 . 2]" 1
91 1 10 LEU HB2 1 21 ALA MB 4.000 . 6.000 3.865 2.233 5.151 . 0 0 "[ . 1 . 2]" 1
92 1 10 LEU HB3 1 11 ARG H 4.000 . 5.000 2.856 2.414 3.833 . 0 0 "[ . 1 . 2]" 1
93 1 10 LEU HB3 1 11 ARG QB 4.000 . 5.000 4.229 3.706 5.096 0.096 1 0 "[ . 1 . 2]" 1
94 1 10 LEU HB3 1 12 GLU H 4.000 . 6.000 5.106 4.677 5.794 . 0 0 "[ . 1 . 2]" 1
95 1 10 LEU HB3 1 16 ILE MD 4.000 . 5.000 3.430 2.167 4.568 . 0 0 "[ . 1 . 2]" 1
96 1 10 LEU QD 1 11 ARG H 4.000 . 6.000 3.926 3.189 4.279 . 0 0 "[ . 1 . 2]" 1
97 1 10 LEU QD 1 13 GLU H 4.000 . 6.000 4.770 4.012 5.351 . 0 0 "[ . 1 . 2]" 1
98 1 10 LEU QD 1 14 PHE H 4.000 . 6.000 4.383 3.606 5.165 . 0 0 "[ . 1 . 2]" 1
99 1 10 LEU QD 1 21 ALA HA 4.000 . 5.000 2.570 1.876 3.616 . 0 0 "[ . 1 . 2]" 1
100 1 10 LEU QD 1 21 ALA MB 4.000 . 5.000 2.575 2.050 3.577 . 0 0 "[ . 1 . 2]" 1
101 1 10 LEU QD 1 24 ALA MB 3.000 . 3.500 2.522 1.858 3.252 . 0 0 "[ . 1 . 2]" 1
102 1 10 LEU QD 1 32 GLU HA 4.000 . 6.000 3.758 1.971 4.725 . 0 0 "[ . 1 . 2]" 1
103 1 10 LEU QD 1 35 ALA MB 3.000 . 3.500 2.107 1.765 2.810 0.035 16 0 "[ . 1 . 2]" 1
104 1 10 LEU QD 1 36 ARG H 4.000 . 6.000 3.525 2.752 4.685 . 0 0 "[ . 1 . 2]" 1
105 1 10 LEU QD 1 36 ARG HA 4.000 . 5.000 2.705 2.054 4.070 . 0 0 "[ . 1 . 2]" 1
106 1 10 LEU QD 1 39 VAL QG 3.000 . 3.500 1.956 1.586 2.778 0.214 2 0 "[ . 1 . 2]" 1
107 1 10 LEU MD1 1 24 ALA MB 4.000 . 5.000 3.192 2.001 4.166 . 0 0 "[ . 1 . 2]" 1
108 1 10 LEU MD1 1 35 ALA MB 4.000 . 5.000 2.662 1.931 3.910 . 0 0 "[ . 1 . 2]" 1
109 1 10 LEU MD2 1 24 ALA MB 4.000 . 5.000 3.116 1.872 4.832 . 0 0 "[ . 1 . 2]" 1
110 1 10 LEU MD2 1 35 ALA MB 4.000 . 5.000 2.407 1.897 4.914 . 0 0 "[ . 1 . 2]" 1
111 1 10 LEU HG 1 11 ARG H 4.000 . 6.000 4.430 3.803 5.179 . 0 0 "[ . 1 . 2]" 1
112 1 10 LEU HG 1 21 ALA HA 4.000 . 6.000 3.830 2.710 5.892 . 0 0 "[ . 1 . 2]" 1
113 1 11 ARG H 1 11 ARG HB2 4.000 . 5.000 2.892 2.387 3.694 . 0 0 "[ . 1 . 2]" 1
114 1 11 ARG H 1 11 ARG QB 3.000 . 3.500 2.361 2.174 2.676 . 0 0 "[ . 1 . 2]" 1
115 1 11 ARG H 1 11 ARG HB3 4.000 . 5.000 2.626 2.374 3.614 . 0 0 "[ . 1 . 2]" 1
116 1 11 ARG H 1 12 GLU H 4.000 . 5.000 2.624 2.444 3.080 . 0 0 "[ . 1 . 2]" 1
117 1 11 ARG H 1 21 ALA MB 4.000 . 6.000 3.912 2.799 5.056 . 0 0 "[ . 1 . 2]" 1
118 1 11 ARG HA 1 16 ILE H 4.000 . 5.000 3.348 2.502 4.065 . 0 0 "[ . 1 . 2]" 1
119 1 11 ARG HA 1 16 ILE MD 4.000 . 5.000 3.171 2.129 4.794 . 0 0 "[ . 1 . 2]" 1
120 1 11 ARG HA 1 16 ILE HG12 4.000 . 5.000 2.880 1.752 4.886 0.048 20 0 "[ . 1 . 2]" 1
121 1 11 ARG HA 1 16 ILE QG 4.000 . 5.000 2.538 1.729 3.606 0.071 20 0 "[ . 1 . 2]" 1
122 1 11 ARG HA 1 16 ILE HG13 4.000 . 5.000 3.172 2.000 4.631 . 0 0 "[ . 1 . 2]" 1
123 1 11 ARG HA 1 21 ALA MB 4.000 . 6.000 3.726 2.162 5.220 . 0 0 "[ . 1 . 2]" 1
124 1 11 ARG QB 1 12 GLU H 4.000 . 5.000 3.011 2.209 3.882 . 0 0 "[ . 1 . 2]" 1
125 1 11 ARG QG 1 12 GLU H 4.000 . 5.000 3.486 2.374 4.646 . 0 0 "[ . 1 . 2]" 1
126 1 12 GLU H 1 12 GLU QB 3.000 . 3.500 2.382 2.210 2.591 . 0 0 "[ . 1 . 2]" 1
127 1 12 GLU H 1 12 GLU HG2 4.000 . 5.000 3.729 2.166 4.740 . 0 0 "[ . 1 . 2]" 1
128 1 12 GLU H 1 12 GLU QG 4.000 . 5.000 3.313 2.151 4.144 . 0 0 "[ . 1 . 2]" 1
129 1 12 GLU H 1 12 GLU HG3 4.000 . 5.000 4.082 2.269 4.774 . 0 0 "[ . 1 . 2]" 1
130 1 12 GLU H 1 13 GLU H 4.000 . 5.000 2.559 2.168 3.631 . 0 0 "[ . 1 . 2]" 1
131 1 12 GLU H 1 13 GLU QB 4.000 . 6.000 4.289 3.746 4.813 . 0 0 "[ . 1 . 2]" 1
132 1 12 GLU HA 1 12 GLU HG2 4.000 . 5.000 3.265 2.454 3.848 . 0 0 "[ . 1 . 2]" 1
133 1 12 GLU HA 1 12 GLU QG 3.000 . 3.500 2.814 2.382 3.149 . 0 0 "[ . 1 . 2]" 1
134 1 12 GLU HA 1 12 GLU HG3 4.000 . 5.000 3.273 2.461 3.834 . 0 0 "[ . 1 . 2]" 1
135 1 12 GLU QB 1 13 GLU H 4.000 . 5.000 2.888 1.941 4.060 . 0 0 "[ . 1 . 2]" 1
136 1 12 GLU HB2 1 13 GLU H 4.000 . 5.000 3.554 2.295 4.620 . 0 0 "[ . 1 . 2]" 1
137 1 12 GLU HB3 1 13 GLU H 4.000 . 5.000 3.415 1.951 4.500 . 0 0 "[ . 1 . 2]" 1
138 1 13 GLU H 1 13 GLU HB2 3.000 . 3.500 2.511 2.146 3.214 . 0 0 "[ . 1 . 2]" 1
139 1 13 GLU H 1 13 GLU HB3 3.000 . 3.500 3.037 2.395 3.618 0.118 10 0 "[ . 1 . 2]" 1
140 1 13 GLU HA 1 13 GLU HG2 4.000 . 5.000 3.152 2.514 3.895 . 0 0 "[ . 1 . 2]" 1
141 1 13 GLU HA 1 13 GLU QG 3.000 . 3.500 2.786 2.444 3.180 . 0 0 "[ . 1 . 2]" 1
142 1 13 GLU HA 1 13 GLU HG3 4.000 . 5.000 3.420 2.623 3.856 . 0 0 "[ . 1 . 2]" 1
143 1 13 GLU QB 1 14 PHE H 4.000 . 5.000 2.384 2.061 3.106 . 0 0 "[ . 1 . 2]" 1
144 1 13 GLU HB2 1 14 PHE H 4.000 . 5.000 3.179 2.203 3.904 . 0 0 "[ . 1 . 2]" 1
145 1 13 GLU HB3 1 14 PHE H 4.000 . 5.000 2.806 2.083 4.121 . 0 0 "[ . 1 . 2]" 1
146 1 13 GLU QG 1 14 PHE H 4.000 . 5.000 3.843 3.131 4.283 . 0 0 "[ . 1 . 2]" 1
147 1 14 PHE H 1 14 PHE HB2 4.000 . 5.000 2.735 2.423 3.251 . 0 0 "[ . 1 . 2]" 1
148 1 14 PHE H 1 14 PHE QB 3.000 . 3.500 2.547 2.277 2.798 . 0 0 "[ . 1 . 2]" 1
149 1 14 PHE H 1 14 PHE HB3 4.000 . 5.000 3.352 2.583 3.879 . 0 0 "[ . 1 . 2]" 1
150 1 14 PHE H 1 15 ASN H 4.000 . 5.000 3.314 2.095 4.381 . 0 0 "[ . 1 . 2]" 1
151 1 14 PHE H 1 16 ILE MG 4.000 . 6.000 4.377 3.170 5.966 . 0 0 "[ . 1 . 2]" 1
152 1 14 PHE H 1 39 VAL QG 4.000 . 6.000 4.475 3.477 4.947 . 0 0 "[ . 1 . 2]" 1
153 1 14 PHE HA 1 15 ASN H 3.000 . 3.500 2.668 2.141 3.444 . 0 0 "[ . 1 . 2]" 1
154 1 14 PHE QB 1 16 ILE MD 4.000 . 5.000 3.147 2.404 4.521 . 0 0 "[ . 1 . 2]" 1
155 1 14 PHE QB 1 16 ILE MG 4.000 . 5.000 2.403 1.862 3.960 . 0 0 "[ . 1 . 2]" 1
156 1 14 PHE QB 1 39 VAL QG 4.000 . 6.000 2.710 1.986 3.533 . 0 0 "[ . 1 . 2]" 1
157 1 14 PHE HB2 1 16 ILE MG 4.000 . 5.000 3.260 1.886 5.031 0.031 14 0 "[ . 1 . 2]" 1
158 1 14 PHE HB3 1 16 ILE MG 4.000 . 5.000 2.618 1.931 4.143 . 0 0 "[ . 1 . 2]" 1
159 1 15 ASN H 1 16 ILE H 4.000 . 5.000 3.567 2.635 4.553 . 0 0 "[ . 1 . 2]" 1
160 1 16 ILE H 1 16 ILE HG12 4.000 . 5.000 2.321 1.931 3.850 . 0 0 "[ . 1 . 2]" 1
161 1 16 ILE H 1 16 ILE QG 4.000 . 5.000 2.123 1.867 2.360 . 0 0 "[ . 1 . 2]" 1
162 1 16 ILE H 1 16 ILE HG13 4.000 . 5.000 2.963 1.874 3.309 . 0 0 "[ . 1 . 2]" 1
163 1 16 ILE H 1 16 ILE MG 4.000 . 5.000 2.915 2.313 3.396 . 0 0 "[ . 1 . 2]" 1
164 1 16 ILE HA 1 17 ASN H 4.000 . 5.000 2.451 2.299 2.603 . 0 0 "[ . 1 . 2]" 1
165 1 16 ILE HB 1 17 ASN H 3.000 . 3.500 2.314 2.041 2.508 . 0 0 "[ . 1 . 2]" 1
166 1 16 ILE MD 1 16 ILE MG 3.000 . 3.500 2.152 1.972 3.316 . 0 0 "[ . 1 . 2]" 1
167 1 16 ILE MD 1 20 GLU HB2 4.000 . 5.000 2.391 1.769 3.567 0.031 19 0 "[ . 1 . 2]" 1
168 1 16 ILE MD 1 20 GLU HB3 4.000 . 5.000 3.025 2.479 4.294 . 0 0 "[ . 1 . 2]" 1
169 1 16 ILE MD 1 21 ALA H 4.000 . 5.000 2.946 2.438 3.422 . 0 0 "[ . 1 . 2]" 1
170 1 16 ILE MD 1 21 ALA HA 3.000 . 3.500 2.631 2.191 3.485 . 0 0 "[ . 1 . 2]" 1
171 1 16 ILE MD 1 21 ALA MB 3.000 . 3.500 2.332 1.933 2.672 . 0 0 "[ . 1 . 2]" 1
172 1 16 ILE MD 1 39 VAL QG 4.000 . 5.000 2.027 1.674 3.116 0.126 17 0 "[ . 1 . 2]" 1
173 1 16 ILE QG 1 17 ASN H 4.000 . 5.000 3.563 3.071 4.383 . 0 0 "[ . 1 . 2]" 1
174 1 16 ILE QG 1 39 VAL QG 4.000 . 6.000 3.399 2.034 3.778 . 0 0 "[ . 1 . 2]" 1
175 1 16 ILE MG 1 17 ASN H 4.000 . 5.000 3.604 3.231 3.780 . 0 0 "[ . 1 . 2]" 1
176 1 16 ILE MG 1 39 VAL QG 4.000 . 5.000 2.433 1.731 3.700 0.069 7 0 "[ . 1 . 2]" 1
177 1 17 ASN H 1 17 ASN HB2 4.000 . 5.000 2.454 2.373 2.577 . 0 0 "[ . 1 . 2]" 1
178 1 17 ASN H 1 17 ASN HB3 4.000 . 5.000 3.565 2.587 3.649 . 0 0 "[ . 1 . 2]" 1
179 1 17 ASN H 1 20 GLU QB 4.000 . 5.000 3.130 2.370 3.803 . 0 0 "[ . 1 . 2]" 1
180 1 17 ASN H 1 20 GLU QG 4.000 . 5.000 2.618 1.825 3.451 . 0 0 "[ . 1 . 2]" 1
181 1 17 ASN HA 1 18 PRO HD2 3.000 . 3.500 2.549 2.154 2.899 . 0 0 "[ . 1 . 2]" 1
182 1 17 ASN HA 1 18 PRO HD3 3.000 . 3.500 2.379 2.066 2.801 . 0 0 "[ . 1 . 2]" 1
183 1 17 ASN HB2 1 18 PRO HD2 4.000 . 5.000 4.045 3.778 4.606 . 0 0 "[ . 1 . 2]" 1
184 1 17 ASN HB2 1 19 GLU H 4.000 . 5.000 3.351 2.925 4.259 . 0 0 "[ . 1 . 2]" 1
185 1 17 ASN HB3 1 18 PRO HA 4.000 . 5.000 5.053 4.968 5.273 0.273 6 0 "[ . 1 . 2]" 1
186 1 17 ASN HB3 1 18 PRO HD2 4.000 . 5.000 2.608 2.242 4.285 . 0 0 "[ . 1 . 2]" 1
187 1 17 ASN HB3 1 18 PRO HD3 4.000 . 5.000 3.778 3.317 4.859 . 0 0 "[ . 1 . 2]" 1
188 1 17 ASN QD 1 20 GLU QG 4.000 . 6.000 3.598 2.631 4.559 . 0 0 "[ . 1 . 2]" 1
189 1 18 PRO HA 1 20 GLU H 4.000 . 6.000 4.352 3.818 4.644 . 0 0 "[ . 1 . 2]" 1
190 1 18 PRO HA 1 21 ALA H 4.000 . 5.000 3.406 2.815 3.774 . 0 0 "[ . 1 . 2]" 1
191 1 18 PRO HA 1 21 ALA MB 4.000 . 5.000 2.428 1.978 3.098 . 0 0 "[ . 1 . 2]" 1
192 1 18 PRO HD2 1 19 GLU H 4.000 . 5.000 3.019 2.782 3.311 . 0 0 "[ . 1 . 2]" 1
193 1 18 PRO HD3 1 19 GLU H 4.000 . 5.000 4.118 4.010 4.316 . 0 0 "[ . 1 . 2]" 1
194 1 19 GLU H 1 20 GLU H 4.000 . 5.000 2.684 2.582 2.828 . 0 0 "[ . 1 . 2]" 1
195 1 19 GLU H 1 20 GLU QG 4.000 . 5.000 4.142 3.813 4.539 . 0 0 "[ . 1 . 2]" 1
196 1 19 GLU HA 1 22 ARG H 4.000 . 5.000 3.597 3.273 3.871 . 0 0 "[ . 1 . 2]" 1
197 1 19 GLU QB 1 20 GLU H 4.000 . 5.000 2.654 2.241 3.585 . 0 0 "[ . 1 . 2]" 1
198 1 20 GLU H 1 20 GLU QB 3.000 . 3.500 2.546 2.410 2.775 . 0 0 "[ . 1 . 2]" 1
199 1 20 GLU H 1 20 GLU HG2 4.000 . 5.000 2.361 1.984 3.413 . 0 0 "[ . 1 . 2]" 1
200 1 20 GLU H 1 20 GLU QG 3.000 . 3.500 2.173 1.972 2.344 . 0 0 "[ . 1 . 2]" 1
201 1 20 GLU H 1 20 GLU HG3 4.000 . 5.000 3.436 2.138 3.805 . 0 0 "[ . 1 . 2]" 1
202 1 20 GLU HA 1 22 ARG H 4.000 . 5.000 4.296 3.822 4.526 . 0 0 "[ . 1 . 2]" 1
203 1 20 GLU QB 1 21 ALA H 3.000 . 3.500 2.602 2.288 3.003 . 0 0 "[ . 1 . 2]" 1
204 1 20 GLU HB2 1 21 ALA H 4.000 . 5.000 2.652 2.314 3.074 . 0 0 "[ . 1 . 2]" 1
205 1 20 GLU HB3 1 21 ALA H 4.000 . 5.000 3.781 3.445 4.213 . 0 0 "[ . 1 . 2]" 1
206 1 21 ALA H 1 21 ALA MB 3.000 . 3.500 2.244 2.224 2.266 . 0 0 "[ . 1 . 2]" 1
207 1 21 ALA H 1 22 ARG H 4.000 . 5.000 2.626 2.473 2.803 . 0 0 "[ . 1 . 2]" 1
208 1 21 ALA HA 1 24 ALA MB 4.000 . 5.000 2.818 2.194 3.962 . 0 0 "[ . 1 . 2]" 1
209 1 21 ALA HA 1 25 VAL H 4.000 . 5.000 4.201 3.582 4.935 . 0 0 "[ . 1 . 2]" 1
210 1 21 ALA HA 1 25 VAL HB 4.000 . 6.000 4.932 3.930 6.065 0.065 11 0 "[ . 1 . 2]" 1
211 1 21 ALA HA 1 39 VAL QG 4.000 . 6.000 3.304 2.607 4.375 . 0 0 "[ . 1 . 2]" 1
212 1 21 ALA MB 1 22 ARG H 3.000 . 3.500 2.693 2.463 3.411 . 0 0 "[ . 1 . 2]" 1
213 1 21 ALA MB 1 25 VAL HB 4.000 . 6.000 4.505 3.186 5.897 . 0 0 "[ . 1 . 2]" 1
214 1 21 ALA MB 1 25 VAL QG 4.000 . 5.000 3.765 3.002 4.250 . 0 0 "[ . 1 . 2]" 1
215 1 23 GLU HB2 1 24 ALA H 4.000 . 5.000 3.443 2.221 4.034 . 0 0 "[ . 1 . 2]" 1
216 1 23 GLU HB3 1 24 ALA H 4.000 . 5.000 3.069 2.344 4.153 . 0 0 "[ . 1 . 2]" 1
217 1 24 ALA H 1 24 ALA MB 3.000 . 3.500 2.245 2.209 2.298 . 0 0 "[ . 1 . 2]" 1
218 1 24 ALA HA 1 38 ILE HB 4.000 . 5.000 3.197 2.400 4.317 . 0 0 "[ . 1 . 2]" 1
219 1 24 ALA HA 1 38 ILE MD 4.000 . 5.000 3.441 2.205 4.906 . 0 0 "[ . 1 . 2]" 1
220 1 24 ALA HA 1 38 ILE MG 4.000 . 5.000 2.228 1.940 2.744 . 0 0 "[ . 1 . 2]" 1
221 1 24 ALA MB 1 25 VAL H 4.000 . 5.000 2.519 2.245 2.742 . 0 0 "[ . 1 . 2]" 1
222 1 24 ALA MB 1 25 VAL QG 4.000 . 5.000 3.668 3.011 3.991 . 0 0 "[ . 1 . 2]" 1
223 1 24 ALA MB 1 35 ALA MB 4.000 . 5.000 2.650 1.821 3.563 . 0 0 "[ . 1 . 2]" 1
224 1 24 ALA MB 1 38 ILE HB 4.000 . 5.000 2.614 2.004 3.510 . 0 0 "[ . 1 . 2]" 1
225 1 24 ALA MB 1 38 ILE MG 4.000 . 5.000 2.784 2.226 3.187 . 0 0 "[ . 1 . 2]" 1
226 1 24 ALA MB 1 39 VAL H 4.000 . 5.000 3.281 2.780 3.881 . 0 0 "[ . 1 . 2]" 1
227 1 24 ALA MB 1 39 VAL MG1 4.000 . 5.000 3.290 1.775 4.774 0.025 20 0 "[ . 1 . 2]" 1
228 1 24 ALA MB 1 39 VAL QG 3.000 . 3.500 2.414 1.770 3.224 0.030 20 0 "[ . 1 . 2]" 1
229 1 24 ALA MB 1 39 VAL MG2 4.000 . 5.000 2.954 1.993 4.360 . 0 0 "[ . 1 . 2]" 1
230 1 25 VAL H 1 25 VAL HB 3.000 . 3.500 2.592 2.447 2.720 . 0 0 "[ . 1 . 2]" 1
231 1 25 VAL H 1 25 VAL MG1 4.000 . 5.000 2.398 1.936 3.833 . 0 0 "[ . 1 . 2]" 1
232 1 25 VAL H 1 25 VAL QG 3.000 . 3.500 2.143 1.930 2.381 . 0 0 "[ . 1 . 2]" 1
233 1 25 VAL H 1 25 VAL MG2 4.000 . 5.000 3.584 2.169 3.866 . 0 0 "[ . 1 . 2]" 1
234 1 25 VAL H 1 26 GLU H 4.000 . 5.000 2.584 2.386 2.732 . 0 0 "[ . 1 . 2]" 1
235 1 25 VAL H 1 26 GLU QB 4.000 . 5.000 4.489 4.098 4.944 . 0 0 "[ . 1 . 2]" 1
236 1 25 VAL HA 1 28 ALA H 4.000 . 5.000 3.349 3.044 3.793 . 0 0 "[ . 1 . 2]" 1
237 1 25 VAL HA 1 28 ALA MB 4.000 . 5.000 2.310 1.943 2.702 . 0 0 "[ . 1 . 2]" 1
238 1 25 VAL HA 1 35 ALA MB 3.000 . 3.500 2.390 1.936 3.154 . 0 0 "[ . 1 . 2]" 1
239 1 25 VAL HB 1 26 GLU H 4.000 . 5.000 3.870 2.497 4.163 . 0 0 "[ . 1 . 2]" 1
240 1 25 VAL QG 1 26 GLU H 4.000 . 5.000 2.505 2.187 3.412 . 0 0 "[ . 1 . 2]" 1
241 1 25 VAL QG 1 26 GLU HA 4.000 . 5.000 3.233 3.065 3.594 . 0 0 "[ . 1 . 2]" 1
242 1 25 VAL QG 1 28 ALA H 4.000 . 6.000 4.255 4.024 4.496 . 0 0 "[ . 1 . 2]" 1
243 1 25 VAL QG 1 30 GLY H 4.000 . 5.000 3.858 2.390 5.091 0.091 11 0 "[ . 1 . 2]" 1
244 1 25 VAL QG 1 30 GLY QA 4.000 . 5.000 2.874 1.972 4.469 . 0 0 "[ . 1 . 2]" 1
245 1 25 VAL QG 1 35 ALA MB 4.000 . 5.000 3.035 2.328 4.033 . 0 0 "[ . 1 . 2]" 1
246 1 25 VAL MG1 1 26 GLU H 4.000 . 5.000 2.559 2.204 3.712 . 0 0 "[ . 1 . 2]" 1
247 1 25 VAL MG2 1 26 GLU H 4.000 . 5.000 3.885 3.589 4.181 . 0 0 "[ . 1 . 2]" 1
248 1 26 GLU H 1 26 GLU QB 3.000 . 3.500 2.359 2.173 2.620 . 0 0 "[ . 1 . 2]" 1
249 1 26 GLU H 1 26 GLU HG2 4.000 . 5.000 3.804 2.202 4.547 . 0 0 "[ . 1 . 2]" 1
250 1 26 GLU H 1 26 GLU QG 4.000 . 5.000 3.290 2.077 4.089 . 0 0 "[ . 1 . 2]" 1
251 1 26 GLU H 1 26 GLU HG3 4.000 . 5.000 3.880 2.100 4.651 . 0 0 "[ . 1 . 2]" 1
252 1 26 GLU H 1 27 LYS H 4.000 . 5.000 2.586 2.485 2.741 . 0 0 "[ . 1 . 2]" 1
253 1 26 GLU QB 1 27 LYS H 4.000 . 5.000 2.757 2.285 3.605 . 0 0 "[ . 1 . 2]" 1
254 1 27 LYS H 1 27 LYS HB2 4.000 . 5.000 2.545 2.273 3.653 . 0 0 "[ . 1 . 2]" 1
255 1 27 LYS H 1 27 LYS QB 3.000 . 3.500 2.390 2.170 2.649 . 0 0 "[ . 1 . 2]" 1
256 1 27 LYS H 1 27 LYS HB3 4.000 . 5.000 3.220 2.452 3.676 . 0 0 "[ . 1 . 2]" 1
257 1 27 LYS H 1 27 LYS QD 4.000 . 6.000 3.960 3.184 4.774 . 0 0 "[ . 1 . 2]" 1
258 1 27 LYS H 1 27 LYS QG 4.000 . 5.000 2.899 2.148 4.110 . 0 0 "[ . 1 . 2]" 1
259 1 27 LYS H 1 28 ALA H 4.000 . 5.000 2.514 2.389 2.624 . 0 0 "[ . 1 . 2]" 1
260 1 27 LYS HA 1 27 LYS QD 4.000 . 5.000 3.146 1.975 4.573 . 0 0 "[ . 1 . 2]" 1
261 1 27 LYS HA 1 27 LYS QE 4.000 . 5.000 3.876 1.893 5.098 0.098 15 0 "[ . 1 . 2]" 1
262 1 27 LYS QB 1 28 ALA H 4.000 . 5.000 2.849 2.413 3.685 . 0 0 "[ . 1 . 2]" 1
263 1 27 LYS QD 1 38 ILE MD 4.000 . 6.000 3.705 1.855 4.896 . 0 0 "[ . 1 . 2]" 1
264 1 27 LYS QG 1 38 ILE MD 4.000 . 5.000 3.363 2.097 4.738 . 0 0 "[ . 1 . 2]" 1
265 1 28 ALA H 1 28 ALA MB 3.000 . 3.500 2.260 2.235 2.296 . 0 0 "[ . 1 . 2]" 1
266 1 28 ALA H 1 29 GLY H 4.000 . 5.000 2.526 2.290 2.845 . 0 0 "[ . 1 . 2]" 1
267 1 28 ALA H 1 38 ILE MD 4.000 . 5.000 3.105 2.657 3.971 . 0 0 "[ . 1 . 2]" 1
268 1 28 ALA HA 1 34 GLU QB 4.000 . 5.000 3.281 2.701 3.893 . 0 0 "[ . 1 . 2]" 1
269 1 28 ALA HA 1 34 GLU HG2 4.000 . 5.000 2.681 1.984 4.731 . 0 0 "[ . 1 . 2]" 1
270 1 28 ALA HA 1 34 GLU HG3 4.000 . 5.000 2.931 2.295 4.879 . 0 0 "[ . 1 . 2]" 1
271 1 28 ALA HA 1 38 ILE MD 4.000 . 5.000 2.817 2.250 3.443 . 0 0 "[ . 1 . 2]" 1
272 1 28 ALA MB 1 29 GLY H 4.000 . 5.000 2.900 1.972 3.374 . 0 0 "[ . 1 . 2]" 1
273 1 28 ALA MB 1 30 GLY H 4.000 . 5.000 3.272 2.477 4.197 . 0 0 "[ . 1 . 2]" 1
274 1 28 ALA MB 1 31 ASN H 4.000 . 5.000 2.594 2.207 3.259 . 0 0 "[ . 1 . 2]" 1
275 1 28 ALA MB 1 31 ASN QB 4.000 . 5.000 2.635 1.832 3.763 . 0 0 "[ . 1 . 2]" 1
276 1 28 ALA MB 1 34 GLU QB 3.000 . 3.500 2.123 1.806 3.160 . 0 0 "[ . 1 . 2]" 1
277 1 28 ALA MB 1 34 GLU HG2 4.000 . 5.000 3.147 2.567 4.762 . 0 0 "[ . 1 . 2]" 1
278 1 28 ALA MB 1 34 GLU QG 4.000 . 5.000 2.671 2.220 4.064 . 0 0 "[ . 1 . 2]" 1
279 1 28 ALA MB 1 34 GLU HG3 4.000 . 5.000 2.987 2.374 4.408 . 0 0 "[ . 1 . 2]" 1
280 1 28 ALA MB 1 35 ALA H 4.000 . 5.000 2.721 2.450 3.306 . 0 0 "[ . 1 . 2]" 1
281 1 28 ALA MB 1 35 ALA HA 4.000 . 5.000 2.520 2.153 3.049 . 0 0 "[ . 1 . 2]" 1
282 1 28 ALA MB 1 35 ALA MB 4.000 . 5.000 2.225 1.962 2.573 . 0 0 "[ . 1 . 2]" 1
283 1 28 ALA MB 1 38 ILE MD 3.000 . 3.500 2.288 1.941 3.267 . 0 0 "[ . 1 . 2]" 1
284 1 29 GLY H 1 30 GLY H 4.000 . 5.000 3.169 2.480 4.114 . 0 0 "[ . 1 . 2]" 1
285 1 30 GLY H 1 31 ASN H 4.000 . 5.000 2.421 1.725 3.048 0.075 11 0 "[ . 1 . 2]" 1
286 1 31 ASN H 1 31 ASN HB2 4.000 . 5.000 2.879 2.414 3.474 . 0 0 "[ . 1 . 2]" 1
287 1 31 ASN H 1 31 ASN HB3 4.000 . 5.000 3.218 2.486 3.880 . 0 0 "[ . 1 . 2]" 1
288 1 31 ASN H 1 32 GLU HA 4.000 . 5.000 4.902 4.579 5.112 0.112 10 0 "[ . 1 . 2]" 1
289 1 31 ASN HA 1 31 ASN HD21 4.000 . 6.000 3.465 1.964 4.542 . 0 0 "[ . 1 . 2]" 1
290 1 31 ASN HA 1 31 ASN QD 4.000 . 5.000 3.275 1.955 4.144 . 0 0 "[ . 1 . 2]" 1
291 1 31 ASN HA 1 31 ASN HD22 4.000 . 6.000 4.184 3.569 4.789 . 0 0 "[ . 1 . 2]" 1
292 1 31 ASN HA 1 32 GLU H 4.000 . 5.000 2.180 2.129 2.261 . 0 0 "[ . 1 . 2]" 1
293 1 31 ASN QB 1 34 GLU H 4.000 . 5.000 3.046 2.478 3.658 . 0 0 "[ . 1 . 2]" 1
294 1 31 ASN QB 1 34 GLU QB 3.000 . 3.500 2.151 1.812 2.935 . 0 0 "[ . 1 . 2]" 1
295 1 32 GLU H 1 33 GLU H 4.000 . 5.000 2.652 2.449 2.840 . 0 0 "[ . 1 . 2]" 1
296 1 32 GLU HA 1 35 ALA MB 4.000 . 5.000 2.878 2.201 3.350 . 0 0 "[ . 1 . 2]" 1
297 1 32 GLU QB 1 33 GLU H 3.000 . 3.500 2.493 2.243 2.734 . 0 0 "[ . 1 . 2]" 1
298 1 32 GLU QB 1 33 GLU HA 4.000 . 5.000 3.923 3.669 4.315 . 0 0 "[ . 1 . 2]" 1
299 1 32 GLU QG 1 33 GLU H 4.000 . 5.000 3.984 3.601 4.259 . 0 0 "[ . 1 . 2]" 1
300 1 33 GLU H 1 34 GLU H 3.000 . 3.500 2.651 2.445 2.940 . 0 0 "[ . 1 . 2]" 1
301 1 33 GLU HA 1 33 GLU QG 3.000 . 3.500 2.601 2.404 3.056 . 0 0 "[ . 1 . 2]" 1
302 1 33 GLU HA 1 36 ARG H 4.000 . 5.000 3.602 3.059 4.305 . 0 0 "[ . 1 . 2]" 1
303 1 33 GLU HA 1 36 ARG HA 4.000 . 6.000 5.446 4.689 6.190 0.190 13 0 "[ . 1 . 2]" 1
304 1 33 GLU HA 1 36 ARG QB 4.000 . 5.000 3.152 2.038 4.380 . 0 0 "[ . 1 . 2]" 1
305 1 33 GLU HA 1 36 ARG HD2 4.000 . 5.000 3.307 2.348 4.157 . 0 0 "[ . 1 . 2]" 1
306 1 33 GLU HA 1 36 ARG HD3 4.000 . 5.000 3.561 1.867 5.098 0.098 2 0 "[ . 1 . 2]" 1
307 1 33 GLU QG 1 34 GLU H 4.000 . 5.000 3.929 3.264 4.579 . 0 0 "[ . 1 . 2]" 1
308 1 33 GLU QG 1 36 ARG H 4.000 . 6.000 5.073 4.532 6.093 0.093 7 0 "[ . 1 . 2]" 1
309 1 33 GLU QG 1 36 ARG QD 4.000 . 5.000 3.435 1.948 5.206 0.206 12 0 "[ . 1 . 2]" 1
310 1 34 GLU H 1 34 GLU QB 3.000 . 3.500 2.275 2.215 2.436 . 0 0 "[ . 1 . 2]" 1
311 1 34 GLU H 1 34 GLU HG2 4.000 . 5.000 4.644 4.533 4.817 . 0 0 "[ . 1 . 2]" 1
312 1 34 GLU H 1 34 GLU QG 4.000 . 5.000 4.075 4.027 4.131 . 0 0 "[ . 1 . 2]" 1
313 1 34 GLU H 1 34 GLU HG3 4.000 . 5.000 4.513 4.432 4.617 . 0 0 "[ . 1 . 2]" 1
314 1 34 GLU H 1 35 ALA H 3.000 . 3.500 2.550 2.080 2.893 . 0 0 "[ . 1 . 2]" 1
315 1 34 GLU QB 1 35 ALA H 4.000 . 5.000 2.566 2.262 3.018 . 0 0 "[ . 1 . 2]" 1
316 1 34 GLU QB 1 35 ALA HA 4.000 . 5.000 4.169 4.029 4.337 . 0 0 "[ . 1 . 2]" 1
317 1 34 GLU QB 1 35 ALA MB 4.000 . 5.000 3.834 3.568 4.190 . 0 0 "[ . 1 . 2]" 1
318 1 34 GLU QG 1 38 ILE MD 4.000 . 5.000 2.233 1.794 3.469 0.006 7 0 "[ . 1 . 2]" 1
319 1 34 GLU HG2 1 38 ILE MD 4.000 . 5.000 3.336 2.183 4.850 . 0 0 "[ . 1 . 2]" 1
320 1 34 GLU HG3 1 38 ILE MD 4.000 . 5.000 2.390 1.806 3.603 . 0 0 "[ . 1 . 2]" 1
321 1 35 ALA H 1 35 ALA MB 3.000 . 3.500 2.246 2.208 2.281 . 0 0 "[ . 1 . 2]" 1
322 1 35 ALA H 1 36 ARG H 4.000 . 5.000 2.662 2.365 2.898 . 0 0 "[ . 1 . 2]" 1
323 1 35 ALA HA 1 36 ARG HA 4.000 . 6.000 4.882 4.702 5.067 . 0 0 "[ . 1 . 2]" 1
324 1 35 ALA HA 1 38 ILE HB 4.000 . 5.000 2.576 1.919 3.113 . 0 0 "[ . 1 . 2]" 1
325 1 35 ALA HA 1 38 ILE MD 4.000 . 5.000 2.399 1.913 2.865 . 0 0 "[ . 1 . 2]" 1
326 1 35 ALA HA 1 39 VAL H 4.000 . 6.000 4.233 3.589 5.042 . 0 0 "[ . 1 . 2]" 1
327 1 35 ALA MB 1 36 ARG H 4.000 . 5.000 2.791 2.495 3.079 . 0 0 "[ . 1 . 2]" 1
328 1 35 ALA MB 1 38 ILE HB 4.000 . 5.000 3.841 3.382 4.341 . 0 0 "[ . 1 . 2]" 1
329 1 35 ALA MB 1 38 ILE MD 4.000 . 5.000 3.570 3.092 3.979 . 0 0 "[ . 1 . 2]" 1
330 1 36 ARG H 1 36 ARG QB 3.000 . 3.500 2.412 2.133 2.797 . 0 0 "[ . 1 . 2]" 1
331 1 36 ARG H 1 37 ARG H 4.000 . 5.000 2.687 2.489 2.999 . 0 0 "[ . 1 . 2]" 1
332 1 36 ARG H 1 37 ARG QD 4.000 . 6.000 5.365 3.689 6.027 0.027 6 0 "[ . 1 . 2]" 1
333 1 36 ARG H 1 38 ILE MD 4.000 . 6.000 5.130 4.758 5.441 . 0 0 "[ . 1 . 2]" 1
334 1 36 ARG HA 1 37 ARG HA 4.000 . 6.000 4.726 4.544 4.881 . 0 0 "[ . 1 . 2]" 1
335 1 36 ARG HA 1 39 VAL H 4.000 . 5.000 3.819 3.188 4.474 . 0 0 "[ . 1 . 2]" 1
336 1 36 ARG HA 1 39 VAL HB 4.000 . 6.000 4.171 2.520 5.135 . 0 0 "[ . 1 . 2]" 1
337 1 36 ARG HA 1 39 VAL QG 4.000 . 5.000 2.594 1.810 3.618 . 0 0 "[ . 1 . 2]" 1
338 1 37 ARG H 1 37 ARG QB 3.000 . 3.500 2.593 2.336 3.034 . 0 0 "[ . 1 . 2]" 1
339 1 37 ARG H 1 37 ARG HG2 4.000 . 5.000 2.936 1.989 3.875 . 0 0 "[ . 1 . 2]" 1
340 1 37 ARG H 1 37 ARG QG 4.000 . 5.000 2.432 1.966 3.357 . 0 0 "[ . 1 . 2]" 1
341 1 37 ARG H 1 37 ARG HG3 4.000 . 5.000 3.151 2.399 4.188 . 0 0 "[ . 1 . 2]" 1
342 1 37 ARG H 1 38 ILE H 4.000 . 5.000 2.324 2.014 2.612 . 0 0 "[ . 1 . 2]" 1
343 1 37 ARG H 1 38 ILE QG 4.000 . 5.000 3.648 3.212 4.029 . 0 0 "[ . 1 . 2]" 1
344 1 37 ARG H 1 39 VAL QG 4.000 . 6.000 4.290 3.578 5.014 . 0 0 "[ . 1 . 2]" 1
345 1 37 ARG HA 1 38 ILE QG 4.000 . 5.000 4.913 4.494 5.140 0.140 14 0 "[ . 1 . 2]" 1
346 1 37 ARG HA 1 39 VAL QG 4.000 . 6.000 4.519 3.502 5.388 . 0 0 "[ . 1 . 2]" 1
347 1 38 ILE H 1 38 ILE HB 3.000 . 3.500 2.528 2.435 2.643 . 0 0 "[ . 1 . 2]" 1
348 1 38 ILE H 1 38 ILE MD 4.000 . 5.000 3.672 3.475 3.946 . 0 0 "[ . 1 . 2]" 1
349 1 38 ILE H 1 38 ILE QG 3.000 . 3.500 2.269 2.018 2.659 . 0 0 "[ . 1 . 2]" 1
350 1 38 ILE H 1 38 ILE MG 4.000 . 5.000 3.833 3.796 3.909 . 0 0 "[ . 1 . 2]" 1
351 1 38 ILE H 1 39 VAL H 4.000 . 5.000 2.448 2.133 2.676 . 0 0 "[ . 1 . 2]" 1
352 1 38 ILE HA 1 38 ILE MD 4.000 . 6.000 3.903 3.859 3.971 . 0 0 "[ . 1 . 2]" 1
353 1 38 ILE HA 1 38 ILE HG12 4.000 . 5.000 2.618 2.522 2.757 . 0 0 "[ . 1 . 2]" 1
354 1 38 ILE HA 1 38 ILE HG13 4.000 . 5.000 3.066 2.887 3.207 . 0 0 "[ . 1 . 2]" 1
355 1 38 ILE HB 1 39 VAL H 4.000 . 5.000 2.943 2.318 3.567 . 0 0 "[ . 1 . 2]" 1
356 1 38 ILE QG 1 38 ILE MG 3.000 . 3.500 2.380 2.337 2.422 . 0 0 "[ . 1 . 2]" 1
357 1 38 ILE MG 1 39 VAL H 4.000 . 5.000 3.727 3.209 4.215 . 0 0 "[ . 1 . 2]" 1
358 1 38 ILE MG 1 39 VAL HA 4.000 . 5.000 3.775 3.132 4.387 . 0 0 "[ . 1 . 2]" 1
359 1 39 VAL H 1 39 VAL HB 4.000 . 5.000 2.844 2.379 3.708 . 0 0 "[ . 1 . 2]" 1
360 1 39 VAL H 1 39 VAL MG1 4.000 . 5.000 2.955 2.033 3.862 . 0 0 "[ . 1 . 2]" 1
361 1 39 VAL H 1 39 VAL QG 3.000 . 3.500 2.110 1.933 2.448 . 0 0 "[ . 1 . 2]" 1
362 1 39 VAL H 1 39 VAL MG2 4.000 . 5.000 2.666 2.011 3.863 . 0 0 "[ . 1 . 2]" 1
363 1 39 VAL H 1 40 LYS H 4.000 . 5.000 3.565 2.593 4.620 . 0 0 "[ . 1 . 2]" 1
364 1 39 VAL HB 1 40 LYS H 4.000 . 5.000 3.621 2.284 4.525 . 0 0 "[ . 1 . 2]" 1
365 1 39 VAL QG 1 40 LYS H 4.000 . 5.000 2.972 2.240 3.790 . 0 0 "[ . 1 . 2]" 1
366 1 39 VAL QG 1 40 LYS HA 4.000 . 5.000 3.796 3.263 4.376 . 0 0 "[ . 1 . 2]" 1
367 1 40 LYS H 1 40 LYS QB 3.000 . 3.500 2.672 2.166 3.415 . 0 0 "[ . 1 . 2]" 1
368 1 40 LYS H 1 40 LYS QG 4.000 . 5.000 3.184 1.814 4.434 . 0 0 "[ . 1 . 2]" 1
369 1 40 LYS H 1 41 LYS H 4.000 . 5.000 3.750 2.544 4.448 . 0 0 "[ . 1 . 2]" 1
370 1 41 LYS H 1 41 LYS QG 4.000 . 5.000 2.887 1.930 4.269 . 0 0 "[ . 1 . 2]" 1
371 1 41 LYS HA 1 41 LYS QD 4.000 . 5.000 3.794 2.013 4.612 . 0 0 "[ . 1 . 2]" 1
372 1 41 LYS QB 1 42 ARG H 4.000 . 5.000 3.224 1.942 4.048 . 0 0 "[ . 1 . 2]" 1
373 1 42 ARG H 1 42 ARG QG 4.000 . 5.000 3.134 1.941 4.293 . 0 0 "[ . 1 . 2]" 1
374 1 42 ARG H 1 43 LEU H 4.000 . 5.000 3.359 2.324 4.505 . 0 0 "[ . 1 . 2]" 1
375 1 43 LEU HA 1 43 LEU QD 4.000 . 5.000 2.499 1.993 3.500 . 0 0 "[ . 1 . 2]" 1
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