NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
371381 |
1ckx   |
4596 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1ckx
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 329
_Distance_constraint_stats_list.Viol_count 273
_Distance_constraint_stats_list.Viol_total 193.318
_Distance_constraint_stats_list.Viol_max 0.634
_Distance_constraint_stats_list.Viol_rms 0.0246
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0035
_Distance_constraint_stats_list.Viol_average_violations_only 0.0545
_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 1 MET 0.029 0.027 5 0 "[ . 1 ]"
1 2 PRO 0.112 0.028 8 0 "[ . 1 ]"
1 3 GLY 0.000 0.000 . 0 "[ . 1 ]"
1 4 THR 0.706 0.076 4 0 "[ . 1 ]"
1 5 ILE 1.055 0.082 9 0 "[ . 1 ]"
1 6 LYS 1.063 0.082 9 0 "[ . 1 ]"
1 7 GLU 0.716 0.052 9 0 "[ . 1 ]"
1 8 ASN 2.946 0.207 5 0 "[ . 1 ]"
1 9 ILE 1.194 0.133 9 0 "[ . 1 ]"
1 10 ILE 2.096 0.133 9 0 "[ . 1 ]"
1 11 PHE 2.758 0.277 5 0 "[ . 1 ]"
1 12 GLY 0.208 0.053 11 0 "[ . 1 ]"
1 13 VAL 0.254 0.071 13 0 "[ . 1 ]"
1 14 SER 0.386 0.045 9 0 "[ . 1 ]"
1 15 TYR 0.527 0.075 13 0 "[ . 1 ]"
1 16 ASP 0.749 0.075 13 0 "[ . 1 ]"
1 17 GLU 0.299 0.050 7 0 "[ . 1 ]"
1 18 TYR 0.120 0.050 7 0 "[ . 1 ]"
1 19 ARG 3.871 0.634 9 2 "[ - . +1 ]"
1 20 TYR 3.811 0.634 9 2 "[ - . +1 ]"
1 21 ARG 0.450 0.068 1 0 "[ . 1 ]"
1 22 SER 0.529 0.068 1 0 "[ . 1 ]"
1 23 VAL 0.397 0.132 6 0 "[ . 1 ]"
1 24 ILE 0.392 0.132 6 0 "[ . 1 ]"
1 25 LYS 0.197 0.070 4 0 "[ . 1 ]"
1 26 ALA 0.000 0.000 . 0 "[ . 1 ]"
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 1 MET HA 1 1 MET HG2 1.800 . 3.300 2.523 1.927 3.289 . 0 0 "[ . 1 ]" 1
2 1 1 MET HA 1 1 MET HG3 1.800 . 3.300 2.634 1.942 3.242 . 0 0 "[ . 1 ]" 1
3 1 1 MET HA 1 2 PRO HD2 1.800 . 2.800 2.135 1.996 2.334 . 0 0 "[ . 1 ]" 1
4 1 1 MET HA 1 2 PRO HD3 1.800 . 2.800 2.380 2.156 2.827 0.027 5 0 "[ . 1 ]" 1
5 1 1 MET HB2 1 2 PRO HD2 1.800 . 5.000 4.516 3.622 5.001 0.001 5 0 "[ . 1 ]" 1
6 1 1 MET HB3 1 2 PRO HD3 1.800 . 5.000 4.682 4.140 5.001 0.001 12 0 "[ . 1 ]" 1
7 1 2 PRO HA 1 3 GLY H 1.800 . 2.800 2.539 2.342 2.736 . 0 0 "[ . 1 ]" 1
8 1 2 PRO HA 1 4 THR H 1.800 . 5.000 3.646 3.080 4.424 . 0 0 "[ . 1 ]" 1
9 1 2 PRO HA 1 4 THR HB 1.800 . 4.300 4.252 4.050 4.328 0.028 8 0 "[ . 1 ]" 1
10 1 3 GLY H 1 5 ILE H 1.800 . 5.000 4.347 3.373 4.997 . 0 0 "[ . 1 ]" 1
11 1 3 GLY HA2 1 4 THR H 1.800 . 5.000 2.908 2.524 3.447 . 0 0 "[ . 1 ]" 1
12 1 3 GLY HA3 1 4 THR H 1.800 . 5.000 3.493 3.090 3.585 . 0 0 "[ . 1 ]" 1
13 1 4 THR H 1 4 THR HB 1.800 . 2.800 2.443 2.126 2.785 . 0 0 "[ . 1 ]" 1
14 1 4 THR H 1 4 THR MG 1.800 . 3.800 2.910 2.707 3.060 . 0 0 "[ . 1 ]" 1
15 1 4 THR H 1 5 ILE H 1.800 . 2.800 2.216 1.835 2.817 0.017 1 0 "[ . 1 ]" 1
16 1 4 THR HA 1 4 THR MG 1.800 . 3.800 3.074 3.005 3.127 . 0 0 "[ . 1 ]" 1
17 1 4 THR HA 1 5 ILE H 1.800 . 5.000 3.552 3.530 3.569 . 0 0 "[ . 1 ]" 1
18 1 4 THR HA 1 7 GLU H 1.800 . 5.000 3.603 3.006 4.218 . 0 0 "[ . 1 ]" 1
19 1 4 THR HA 1 8 ASN H 1.800 . 5.000 4.180 3.318 4.949 . 0 0 "[ . 1 ]" 1
20 1 4 THR HB 1 5 ILE H 1.800 . 3.300 3.342 3.240 3.376 0.076 4 0 "[ . 1 ]" 1
21 1 4 THR MG 1 5 ILE H 1.800 . 4.300 2.006 1.804 2.355 . 0 0 "[ . 1 ]" 1
22 1 4 THR MG 1 7 GLU H 1.800 . 6.000 4.639 4.327 4.910 . 0 0 "[ . 1 ]" 1
23 1 5 ILE H 1 5 ILE HB 1.800 . 2.800 2.539 2.325 2.752 . 0 0 "[ . 1 ]" 1
24 1 5 ILE H 1 5 ILE MD 1.800 . 6.000 2.952 1.957 3.675 . 0 0 "[ . 1 ]" 1
25 1 5 ILE H 1 5 ILE HG12 1.800 . 5.000 3.056 1.934 4.235 . 0 0 "[ . 1 ]" 1
26 1 5 ILE H 1 5 ILE HG13 1.800 . 3.800 2.813 1.875 3.712 . 0 0 "[ . 1 ]" 1
27 1 5 ILE H 1 5 ILE MG 1.800 . 6.000 3.759 3.714 3.783 . 0 0 "[ . 1 ]" 1
28 1 5 ILE H 1 6 LYS H 1.800 . 2.800 2.733 2.458 2.882 0.082 9 0 "[ . 1 ]" 1
29 1 5 ILE H 1 7 GLU H 1.800 . 5.000 4.079 3.680 4.514 . 0 0 "[ . 1 ]" 1
30 1 5 ILE H 1 8 ASN H 1.800 . 5.000 4.683 4.402 5.049 0.049 5 0 "[ . 1 ]" 1
31 1 5 ILE HA 1 5 ILE HG13 1.800 . 3.800 3.041 2.235 3.772 . 0 0 "[ . 1 ]" 1
32 1 5 ILE HA 1 6 LYS H 1.800 . 5.000 3.566 3.532 3.583 . 0 0 "[ . 1 ]" 1
33 1 5 ILE HA 1 8 ASN H 1.800 . 5.000 3.281 2.914 3.858 . 0 0 "[ . 1 ]" 1
34 1 5 ILE HA 1 8 ASN HB2 1.800 . 4.300 3.377 2.461 4.317 0.017 2 0 "[ . 1 ]" 1
35 1 5 ILE HA 1 8 ASN HB3 1.800 . 4.300 2.650 1.986 3.156 . 0 0 "[ . 1 ]" 1
36 1 5 ILE HA 1 9 ILE H 1.800 . 5.000 4.468 3.872 5.009 0.009 11 0 "[ . 1 ]" 1
37 1 5 ILE MD 1 6 LYS H 1.800 . 6.000 4.188 3.330 4.722 . 0 0 "[ . 1 ]" 1
38 1 5 ILE HG12 1 6 LYS H 1.800 . 5.000 4.672 4.028 5.037 0.037 10 0 "[ . 1 ]" 1
39 1 5 ILE HG13 1 6 LYS H 1.800 . 5.000 4.552 4.117 4.994 . 0 0 "[ . 1 ]" 1
40 1 5 ILE MG 1 6 LYS H 1.800 . 4.300 3.354 2.861 3.573 . 0 0 "[ . 1 ]" 1
41 1 6 LYS H 1 6 LYS QB 1.800 . 3.800 2.317 2.096 2.693 . 0 0 "[ . 1 ]" 1
42 1 6 LYS H 1 6 LYS QD 1.800 . 5.500 4.082 2.652 4.769 . 0 0 "[ . 1 ]" 1
43 1 6 LYS H 1 6 LYS QG 1.800 . 5.500 3.179 1.848 4.066 . 0 0 "[ . 1 ]" 1
44 1 6 LYS H 1 7 GLU H 1.800 . 2.800 2.755 2.375 2.850 0.050 1 0 "[ . 1 ]" 1
45 1 6 LYS H 1 8 ASN H 1.800 . 5.000 4.312 3.866 4.713 . 0 0 "[ . 1 ]" 1
46 1 6 LYS H 1 9 ILE H 1.800 . 5.000 4.973 4.796 5.045 0.045 12 0 "[ . 1 ]" 1
47 1 6 LYS HA 1 6 LYS QG 1.800 . 3.800 2.538 2.015 3.296 . 0 0 "[ . 1 ]" 1
48 1 6 LYS HA 1 7 GLU H 1.800 . 5.000 3.524 3.481 3.584 . 0 0 "[ . 1 ]" 1
49 1 6 LYS HA 1 8 ASN H 1.800 . 5.000 4.721 4.193 5.032 0.032 3 0 "[ . 1 ]" 1
50 1 6 LYS HA 1 9 ILE H 1.800 . 5.000 3.748 3.502 4.098 . 0 0 "[ . 1 ]" 1
51 1 6 LYS HA 1 10 ILE H 1.800 . 5.000 4.943 4.568 5.062 0.062 7 0 "[ . 1 ]" 1
52 1 6 LYS QB 1 7 GLU H 1.800 . 3.800 2.807 2.295 3.528 . 0 0 "[ . 1 ]" 1
53 1 6 LYS QD 1 7 GLU H 1.800 . 5.500 4.509 3.795 4.978 . 0 0 "[ . 1 ]" 1
54 1 6 LYS QG 1 7 GLU H 1.800 . 5.500 3.711 2.028 4.395 . 0 0 "[ . 1 ]" 1
55 1 7 GLU H 1 7 GLU HG2 1.800 . 3.300 2.299 1.900 2.626 . 0 0 "[ . 1 ]" 1
56 1 7 GLU H 1 7 GLU HG3 1.800 . 3.300 2.917 2.273 3.330 0.030 10 0 "[ . 1 ]" 1
57 1 7 GLU H 1 8 ASN H 1.800 . 2.800 2.559 2.305 2.803 0.003 8 0 "[ . 1 ]" 1
58 1 7 GLU H 1 9 ILE H 1.800 . 5.000 3.739 3.505 4.061 . 0 0 "[ . 1 ]" 1
59 1 7 GLU H 1 10 ILE H 1.800 . 5.000 4.723 4.515 4.915 . 0 0 "[ . 1 ]" 1
60 1 7 GLU HA 1 8 ASN H 1.800 . 5.000 3.566 3.513 3.589 . 0 0 "[ . 1 ]" 1
61 1 7 GLU HA 1 10 ILE H 1.800 . 5.000 2.995 2.738 3.255 . 0 0 "[ . 1 ]" 1
62 1 7 GLU HA 1 10 ILE HB 1.800 . 3.300 3.306 3.086 3.352 0.052 9 0 "[ . 1 ]" 1
63 1 7 GLU QB 1 8 ASN H 1.800 . 5.500 2.605 2.148 3.563 . 0 0 "[ . 1 ]" 1
64 1 7 GLU QB 1 11 PHE QD 1.800 . 7.800 3.841 2.254 5.534 . 0 0 "[ . 1 ]" 1
65 1 7 GLU HG2 1 8 ASN H 1.800 . 4.300 3.857 2.223 4.319 0.019 1 0 "[ . 1 ]" 1
66 1 7 GLU HG3 1 8 ASN H 1.800 . 4.300 3.719 1.971 4.325 0.025 9 0 "[ . 1 ]" 1
67 1 8 ASN H 1 8 ASN HB2 1.800 . 3.300 2.554 2.247 2.753 . 0 0 "[ . 1 ]" 1
68 1 8 ASN H 1 8 ASN HB3 1.800 . 2.800 2.561 2.348 2.862 0.062 4 0 "[ . 1 ]" 1
69 1 8 ASN H 1 9 ILE H 1.800 . 2.800 2.703 2.575 2.808 0.008 11 0 "[ . 1 ]" 1
70 1 8 ASN H 1 10 ILE H 1.800 . 5.000 4.062 3.988 4.135 . 0 0 "[ . 1 ]" 1
71 1 8 ASN H 1 11 PHE H 1.800 . 5.000 4.580 4.375 4.829 . 0 0 "[ . 1 ]" 1
72 1 8 ASN HA 1 8 ASN HB3 1.800 . 2.800 2.997 2.974 3.007 0.207 5 0 "[ . 1 ]" 1
73 1 8 ASN HA 1 9 ILE H 1.800 . 5.000 3.424 3.349 3.471 . 0 0 "[ . 1 ]" 1
74 1 8 ASN HA 1 10 ILE H 1.800 . 5.000 3.989 3.854 4.161 . 0 0 "[ . 1 ]" 1
75 1 8 ASN HA 1 11 PHE H 1.800 . 5.000 4.090 3.537 4.476 . 0 0 "[ . 1 ]" 1
76 1 8 ASN HA 1 11 PHE QB 1.800 . 4.300 2.983 2.437 3.401 . 0 0 "[ . 1 ]" 1
77 1 8 ASN HA 1 12 GLY H 1.800 . 5.000 3.889 3.495 4.392 . 0 0 "[ . 1 ]" 1
78 1 8 ASN HB2 1 9 ILE H 1.800 . 5.000 4.168 3.938 4.340 . 0 0 "[ . 1 ]" 1
79 1 8 ASN HB3 1 9 ILE H 1.800 . 5.000 3.168 2.984 3.377 . 0 0 "[ . 1 ]" 1
80 1 9 ILE H 1 9 ILE HB 1.800 . 3.300 2.583 2.427 2.821 . 0 0 "[ . 1 ]" 1
81 1 9 ILE H 1 9 ILE MD 1.800 . 6.000 3.669 2.976 3.987 . 0 0 "[ . 1 ]" 1
82 1 9 ILE H 1 9 ILE HG12 1.800 . 5.000 2.883 1.857 3.790 . 0 0 "[ . 1 ]" 1
83 1 9 ILE H 1 9 ILE HG13 1.800 . 5.000 2.966 2.249 3.539 . 0 0 "[ . 1 ]" 1
84 1 9 ILE H 1 9 ILE MG 1.800 . 6.000 3.810 3.768 3.844 . 0 0 "[ . 1 ]" 1
85 1 9 ILE H 1 10 ILE H 1.800 . 2.800 2.186 2.068 2.290 . 0 0 "[ . 1 ]" 1
86 1 9 ILE H 1 11 PHE H 1.800 . 5.000 3.791 3.522 4.009 . 0 0 "[ . 1 ]" 1
87 1 9 ILE H 1 12 GLY H 1.800 . 5.000 4.645 4.318 4.838 . 0 0 "[ . 1 ]" 1
88 1 9 ILE HA 1 9 ILE MD 1.800 . 4.300 2.977 1.977 3.738 . 0 0 "[ . 1 ]" 1
89 1 9 ILE HA 1 9 ILE HG12 1.800 . 3.800 2.705 2.332 3.319 . 0 0 "[ . 1 ]" 1
90 1 9 ILE HA 1 9 ILE HG13 1.800 . 3.800 3.456 3.037 3.867 0.067 11 0 "[ . 1 ]" 1
91 1 9 ILE HA 1 9 ILE MG 1.800 . 4.300 2.268 2.136 2.394 . 0 0 "[ . 1 ]" 1
92 1 9 ILE HA 1 10 ILE H 1.800 . 5.000 3.395 3.351 3.435 . 0 0 "[ . 1 ]" 1
93 1 9 ILE HA 1 12 GLY H 1.800 . 5.000 4.363 4.067 4.609 . 0 0 "[ . 1 ]" 1
94 1 9 ILE HA 1 13 VAL H 1.800 . 5.000 4.830 4.643 5.018 0.018 7 0 "[ . 1 ]" 1
95 1 9 ILE HB 1 10 ILE H 1.800 . 3.300 3.254 3.158 3.343 0.043 3 0 "[ . 1 ]" 1
96 1 9 ILE MD 1 10 ILE H 1.800 . 6.000 4.886 4.393 5.091 . 0 0 "[ . 1 ]" 1
97 1 9 ILE HG12 1 10 ILE H 1.800 . 5.000 4.563 3.820 5.053 0.053 6 0 "[ . 1 ]" 1
98 1 9 ILE HG13 1 10 ILE H 1.800 . 5.000 4.724 4.237 5.133 0.133 9 0 "[ . 1 ]" 1
99 1 9 ILE MG 1 10 ILE H 1.800 . 6.000 3.999 3.777 4.181 . 0 0 "[ . 1 ]" 1
100 1 10 ILE H 1 10 ILE HB 1.800 . 3.300 2.632 2.501 2.721 . 0 0 "[ . 1 ]" 1
101 1 10 ILE H 1 10 ILE MD 1.800 . 6.000 4.176 4.128 4.261 . 0 0 "[ . 1 ]" 1
102 1 10 ILE H 1 10 ILE HG12 1.800 . 5.000 4.430 4.254 4.498 . 0 0 "[ . 1 ]" 1
103 1 10 ILE H 1 10 ILE HG13 1.800 . 5.000 4.914 4.814 4.966 . 0 0 "[ . 1 ]" 1
104 1 10 ILE H 1 10 ILE MG 1.800 . 6.000 2.749 2.569 3.009 . 0 0 "[ . 1 ]" 1
105 1 10 ILE H 1 11 PHE H 1.800 . 2.800 2.025 1.863 2.201 . 0 0 "[ . 1 ]" 1
106 1 10 ILE H 1 11 PHE QD 1.800 . 5.600 4.875 4.510 5.390 . 0 0 "[ . 1 ]" 1
107 1 10 ILE HA 1 10 ILE MD 1.800 . 4.300 2.063 1.836 2.266 . 0 0 "[ . 1 ]" 1
108 1 10 ILE HA 1 10 ILE HG12 1.800 . 3.800 2.463 2.336 2.547 . 0 0 "[ . 1 ]" 1
109 1 10 ILE HA 1 10 ILE HG13 1.800 . 3.800 3.546 3.510 3.577 . 0 0 "[ . 1 ]" 1
110 1 10 ILE HA 1 10 ILE MG 1.800 . 4.300 3.111 3.032 3.156 . 0 0 "[ . 1 ]" 1
111 1 10 ILE HA 1 11 PHE H 1.800 . 5.000 3.531 3.485 3.569 . 0 0 "[ . 1 ]" 1
112 1 10 ILE HA 1 12 GLY H 1.800 . 5.000 3.852 3.714 4.074 . 0 0 "[ . 1 ]" 1
113 1 10 ILE HA 1 13 VAL H 1.800 . 5.000 3.019 2.803 3.163 . 0 0 "[ . 1 ]" 1
114 1 10 ILE HA 1 13 VAL HB 1.800 . 4.300 2.483 2.285 2.620 . 0 0 "[ . 1 ]" 1
115 1 10 ILE HA 1 13 VAL MG1 1.800 . 4.800 3.961 3.777 4.026 . 0 0 "[ . 1 ]" 1
116 1 10 ILE HA 1 13 VAL MG2 1.800 . 6.000 2.920 2.465 3.396 . 0 0 "[ . 1 ]" 1
117 1 10 ILE HA 1 14 SER H 1.800 . 5.000 3.940 3.365 4.626 . 0 0 "[ . 1 ]" 1
118 1 10 ILE HB 1 11 PHE H 1.800 . 3.300 3.316 3.096 3.422 0.122 5 0 "[ . 1 ]" 1
119 1 10 ILE MD 1 11 PHE H 1.800 . 6.000 3.756 3.577 3.883 . 0 0 "[ . 1 ]" 1
120 1 10 ILE MD 1 11 PHE HA 1.800 . 5.300 3.790 3.500 4.095 . 0 0 "[ . 1 ]" 1
121 1 10 ILE MD 1 11 PHE QD 1.800 . 8.300 5.532 4.641 6.052 . 0 0 "[ . 1 ]" 1
122 1 10 ILE MD 1 12 GLY H 1.800 . 5.600 4.497 4.436 4.537 . 0 0 "[ . 1 ]" 1
123 1 10 ILE MD 1 13 VAL H 1.800 . 6.000 3.597 3.362 3.698 . 0 0 "[ . 1 ]" 1
124 1 10 ILE MD 1 13 VAL MG1 1.800 . 4.800 2.776 2.435 2.999 . 0 0 "[ . 1 ]" 1
125 1 10 ILE HG12 1 11 PHE H 1.800 . 5.000 4.978 4.925 5.030 0.030 8 0 "[ . 1 ]" 1
126 1 10 ILE HG13 1 11 PHE H 1.800 . 5.000 4.906 4.737 5.037 0.037 8 0 "[ . 1 ]" 1
127 1 10 ILE MG 1 11 PHE H 1.800 . 6.000 1.839 1.773 1.977 0.027 4 0 "[ . 1 ]" 1
128 1 10 ILE MG 1 13 VAL H 1.800 . 6.000 4.575 4.322 4.755 . 0 0 "[ . 1 ]" 1
129 1 11 PHE H 1 11 PHE HB2 1.800 . 2.800 2.640 1.974 2.967 0.167 4 0 "[ . 1 ]" 1
130 1 11 PHE H 1 11 PHE HB3 1.800 . 2.800 2.397 2.049 3.077 0.277 5 0 "[ . 1 ]" 1
131 1 11 PHE H 1 12 GLY H 1.800 . 2.800 2.790 2.647 2.853 0.053 11 0 "[ . 1 ]" 1
132 1 11 PHE H 1 13 VAL H 1.800 . 5.000 4.329 4.190 4.565 . 0 0 "[ . 1 ]" 1
133 1 11 PHE HA 1 11 PHE QD 1.800 . 5.600 2.850 1.893 3.358 . 0 0 "[ . 1 ]" 1
134 1 11 PHE HA 1 12 GLY H 1.800 . 5.000 3.522 3.496 3.548 . 0 0 "[ . 1 ]" 1
135 1 11 PHE HA 1 13 VAL H 1.800 . 5.000 4.655 4.391 4.956 . 0 0 "[ . 1 ]" 1
136 1 11 PHE HA 1 14 SER H 1.800 . 5.000 3.610 3.428 3.826 . 0 0 "[ . 1 ]" 1
137 1 11 PHE HA 1 14 SER HB2 1.800 . 3.300 3.137 2.798 3.333 0.033 9 0 "[ . 1 ]" 1
138 1 11 PHE HA 1 14 SER HB3 1.800 . 3.300 3.189 2.889 3.323 0.023 9 0 "[ . 1 ]" 1
139 1 11 PHE QD 1 12 GLY HA2 1.800 . 7.300 3.886 2.925 5.072 . 0 0 "[ . 1 ]" 1
140 1 11 PHE QD 1 12 GLY HA3 1.800 . 7.300 4.332 3.184 5.823 . 0 0 "[ . 1 ]" 1
141 1 11 PHE QD 1 15 TYR QD 1.800 . 7.300 4.505 3.146 5.732 . 0 0 "[ . 1 ]" 1
142 1 12 GLY H 1 13 VAL H 1.800 . 2.800 2.501 2.389 2.696 . 0 0 "[ . 1 ]" 1
143 1 12 GLY H 1 14 SER H 1.800 . 5.000 3.767 3.514 4.195 . 0 0 "[ . 1 ]" 1
144 1 12 GLY HA2 1 13 VAL H 1.800 . 5.000 3.558 3.524 3.583 . 0 0 "[ . 1 ]" 1
145 1 12 GLY HA2 1 15 TYR QD 1.800 . 7.300 4.662 4.111 5.023 . 0 0 "[ . 1 ]" 1
146 1 12 GLY HA3 1 13 VAL H 1.800 . 5.000 2.794 2.655 2.905 . 0 0 "[ . 1 ]" 1
147 1 12 GLY HA3 1 15 TYR QD 1.800 . 7.300 6.114 5.494 6.463 . 0 0 "[ . 1 ]" 1
148 1 13 VAL H 1 13 VAL HB 1.800 . 2.800 2.425 2.293 2.531 . 0 0 "[ . 1 ]" 1
149 1 13 VAL H 1 13 VAL MG1 1.800 . 6.000 3.752 3.710 3.781 . 0 0 "[ . 1 ]" 1
150 1 13 VAL H 1 13 VAL MG2 1.800 . 4.300 2.331 2.015 2.542 . 0 0 "[ . 1 ]" 1
151 1 13 VAL H 1 14 SER H 1.800 . 2.800 2.591 2.383 2.733 . 0 0 "[ . 1 ]" 1
152 1 13 VAL H 1 15 TYR H 1.800 . 5.000 4.210 3.736 4.592 . 0 0 "[ . 1 ]" 1
153 1 13 VAL H 1 16 ASP H 1.800 . 5.000 4.935 4.751 5.071 0.071 13 0 "[ . 1 ]" 1
154 1 13 VAL HA 1 13 VAL MG1 1.800 . 6.000 2.406 2.282 2.548 . 0 0 "[ . 1 ]" 1
155 1 13 VAL HA 1 13 VAL MG2 1.800 . 4.300 2.300 2.120 2.388 . 0 0 "[ . 1 ]" 1
156 1 13 VAL HA 1 14 SER H 1.800 . 4.300 3.500 3.437 3.570 . 0 0 "[ . 1 ]" 1
157 1 13 VAL HA 1 16 ASP H 1.800 . 5.000 3.916 3.534 4.933 . 0 0 "[ . 1 ]" 1
158 1 13 VAL HA 1 17 GLU H 1.800 . 5.000 4.529 3.992 5.000 0.000 13 0 "[ . 1 ]" 1
159 1 13 VAL HB 1 14 SER H 1.800 . 3.300 2.861 2.467 3.104 . 0 0 "[ . 1 ]" 1
160 1 13 VAL MG1 1 14 SER H 1.800 . 6.000 3.537 3.162 3.825 . 0 0 "[ . 1 ]" 1
161 1 13 VAL MG2 1 14 SER H 1.800 . 6.000 3.993 3.812 4.189 . 0 0 "[ . 1 ]" 1
162 1 14 SER H 1 14 SER HB3 1.800 . 3.300 2.950 2.714 3.214 . 0 0 "[ . 1 ]" 1
163 1 14 SER H 1 15 TYR H 1.800 . 2.800 2.518 2.298 2.829 0.029 2 0 "[ . 1 ]" 1
164 1 14 SER H 1 17 GLU H 1.800 . 5.000 4.647 4.105 5.044 0.044 13 0 "[ . 1 ]" 1
165 1 14 SER HA 1 15 TYR H 1.800 . 5.000 3.553 3.468 3.588 . 0 0 "[ . 1 ]" 1
166 1 14 SER HA 1 17 GLU H 1.800 . 5.000 3.533 3.371 3.859 . 0 0 "[ . 1 ]" 1
167 1 14 SER HA 1 17 GLU HB2 1.800 . 3.300 3.187 2.535 3.345 0.045 9 0 "[ . 1 ]" 1
168 1 14 SER HA 1 17 GLU HB3 1.800 . 3.300 3.113 2.620 3.327 0.027 8 0 "[ . 1 ]" 1
169 1 14 SER HA 1 18 TYR H 1.800 . 5.000 4.250 4.072 4.604 . 0 0 "[ . 1 ]" 1
170 1 14 SER HB2 1 15 TYR H 1.800 . 5.000 3.481 3.205 3.766 . 0 0 "[ . 1 ]" 1
171 1 14 SER HB3 1 15 TYR H 1.800 . 3.300 2.623 2.270 3.110 . 0 0 "[ . 1 ]" 1
172 1 15 TYR H 1 15 TYR HB2 1.800 . 3.300 2.197 2.148 2.277 . 0 0 "[ . 1 ]" 1
173 1 15 TYR H 1 15 TYR HB3 1.800 . 3.300 2.974 2.836 3.046 . 0 0 "[ . 1 ]" 1
174 1 15 TYR H 1 15 TYR QD 1.800 . 5.600 3.860 3.750 4.007 . 0 0 "[ . 1 ]" 1
175 1 15 TYR H 1 16 ASP H 1.800 . 2.800 2.808 2.696 2.842 0.042 3 0 "[ . 1 ]" 1
176 1 15 TYR H 1 17 GLU H 1.800 . 5.000 3.769 3.621 3.915 . 0 0 "[ . 1 ]" 1
177 1 15 TYR H 1 18 TYR H 1.800 . 5.000 4.285 4.171 4.499 . 0 0 "[ . 1 ]" 1
178 1 15 TYR HA 1 15 TYR QD 1.800 . 5.100 2.318 1.872 2.897 . 0 0 "[ . 1 ]" 1
179 1 15 TYR HA 1 16 ASP H 1.800 . 5.000 3.582 3.559 3.597 . 0 0 "[ . 1 ]" 1
180 1 15 TYR HA 1 17 GLU H 1.800 . 5.000 3.766 3.665 3.866 . 0 0 "[ . 1 ]" 1
181 1 15 TYR HA 1 18 TYR H 1.800 . 5.000 2.773 2.713 2.853 . 0 0 "[ . 1 ]" 1
182 1 15 TYR HA 1 18 TYR QB 1.800 . 5.000 2.035 1.875 2.184 . 0 0 "[ . 1 ]" 1
183 1 15 TYR HB2 1 16 ASP H 1.800 . 3.300 3.305 3.190 3.375 0.075 13 0 "[ . 1 ]" 1
184 1 15 TYR HB3 1 16 ASP H 1.800 . 3.300 2.259 2.112 2.378 . 0 0 "[ . 1 ]" 1
185 1 15 TYR QD 1 16 ASP H 1.800 . 5.600 4.011 3.679 4.279 . 0 0 "[ . 1 ]" 1
186 1 15 TYR QD 1 16 ASP HA 1.800 . 5.600 4.285 3.699 4.843 . 0 0 "[ . 1 ]" 1
187 1 15 TYR QD 1 18 TYR QD 1.800 . 7.300 3.968 2.627 5.134 . 0 0 "[ . 1 ]" 1
188 1 15 TYR QE 1 16 ASP HA 1.800 . 7.300 6.057 5.497 6.484 . 0 0 "[ . 1 ]" 1
189 1 15 TYR QE 1 19 ARG QB 1.800 . 6.100 4.037 3.153 4.881 . 0 0 "[ . 1 ]" 1
190 1 15 TYR QE 1 19 ARG HG2 1.800 . 5.600 3.998 3.172 5.029 . 0 0 "[ . 1 ]" 1
191 1 15 TYR QE 1 19 ARG HG3 1.800 . 5.600 2.889 1.905 3.906 . 0 0 "[ . 1 ]" 1
192 1 16 ASP H 1 16 ASP QB 1.800 . 3.300 2.343 2.079 2.661 . 0 0 "[ . 1 ]" 1
193 1 16 ASP H 1 17 GLU H 1.800 . 2.800 2.739 2.695 2.793 . 0 0 "[ . 1 ]" 1
194 1 16 ASP H 1 18 TYR H 1.800 . 5.000 3.952 3.849 3.993 . 0 0 "[ . 1 ]" 1
195 1 16 ASP HA 1 17 GLU H 1.800 . 5.000 3.474 3.447 3.504 . 0 0 "[ . 1 ]" 1
196 1 16 ASP HA 1 18 TYR H 1.800 . 5.000 4.243 4.113 4.361 . 0 0 "[ . 1 ]" 1
197 1 16 ASP HA 1 20 TYR H 1.800 . 5.000 4.474 3.889 5.032 0.032 13 0 "[ . 1 ]" 1
198 1 16 ASP QB 1 17 GLU H 1.800 . 3.800 2.898 2.766 3.008 . 0 0 "[ . 1 ]" 1
199 1 17 GLU H 1 17 GLU HB2 1.800 . 3.800 2.429 2.207 2.611 . 0 0 "[ . 1 ]" 1
200 1 17 GLU H 1 17 GLU HB3 1.800 . 3.300 2.950 2.645 3.258 . 0 0 "[ . 1 ]" 1
201 1 17 GLU H 1 17 GLU HG2 1.800 . 5.500 4.535 3.830 4.900 . 0 0 "[ . 1 ]" 1
202 1 17 GLU H 1 17 GLU HG3 1.800 . 5.500 4.456 4.179 4.746 . 0 0 "[ . 1 ]" 1
203 1 17 GLU H 1 18 TYR H 1.800 . 2.800 2.173 2.051 2.270 . 0 0 "[ . 1 ]" 1
204 1 17 GLU H 1 20 TYR H 1.800 . 5.000 4.709 4.537 5.032 0.032 13 0 "[ . 1 ]" 1
205 1 17 GLU HA 1 17 GLU HG2 1.800 . 3.800 2.820 1.968 3.667 . 0 0 "[ . 1 ]" 1
206 1 17 GLU HA 1 17 GLU HG3 1.800 . 3.800 2.660 1.957 3.570 . 0 0 "[ . 1 ]" 1
207 1 17 GLU HA 1 18 TYR H 1.800 . 5.000 3.462 3.316 3.503 . 0 0 "[ . 1 ]" 1
208 1 17 GLU HA 1 20 TYR H 1.800 . 5.000 3.647 3.282 4.117 . 0 0 "[ . 1 ]" 1
209 1 17 GLU HA 1 20 TYR QD 1.800 . 5.600 4.051 3.470 5.055 . 0 0 "[ . 1 ]" 1
210 1 17 GLU HA 1 21 ARG H 1.800 . 5.000 4.203 3.039 4.915 . 0 0 "[ . 1 ]" 1
211 1 17 GLU HB2 1 18 TYR H 1.800 . 5.000 3.764 3.414 3.987 . 0 0 "[ . 1 ]" 1
212 1 17 GLU HB3 1 18 TYR H 1.800 . 5.000 3.180 2.954 3.688 . 0 0 "[ . 1 ]" 1
213 1 17 GLU HG2 1 18 TYR H 1.800 . 5.500 5.020 4.626 5.523 0.023 8 0 "[ . 1 ]" 1
214 1 17 GLU HG3 1 18 TYR H 1.800 . 5.500 5.099 4.383 5.550 0.050 7 0 "[ . 1 ]" 1
215 1 18 TYR H 1 18 TYR QB 1.800 . 3.300 2.232 2.116 2.408 . 0 0 "[ . 1 ]" 1
216 1 18 TYR H 1 18 TYR QD 1.800 . 5.600 3.757 2.600 4.222 . 0 0 "[ . 1 ]" 1
217 1 18 TYR H 1 19 ARG H 1.800 . 2.800 2.485 2.283 2.728 . 0 0 "[ . 1 ]" 1
218 1 18 TYR H 1 20 TYR H 1.800 . 5.000 3.688 3.402 4.037 . 0 0 "[ . 1 ]" 1
219 1 18 TYR H 1 21 ARG H 1.800 . 5.000 4.786 4.450 5.037 0.037 1 0 "[ . 1 ]" 1
220 1 18 TYR HA 1 18 TYR QD 1.800 . 5.100 2.342 1.855 3.033 . 0 0 "[ . 1 ]" 1
221 1 18 TYR HA 1 19 ARG H 1.800 . 5.000 3.558 3.491 3.591 . 0 0 "[ . 1 ]" 1
222 1 18 TYR HA 1 20 TYR H 1.800 . 5.000 4.053 3.760 4.714 . 0 0 "[ . 1 ]" 1
223 1 18 TYR HA 1 21 ARG H 1.800 . 5.000 3.655 2.884 4.873 . 0 0 "[ . 1 ]" 1
224 1 18 TYR HA 1 22 SER H 1.800 . 5.000 4.225 3.465 4.956 . 0 0 "[ . 1 ]" 1
225 1 18 TYR QB 1 19 ARG H 1.800 . 3.300 2.539 2.131 2.944 . 0 0 "[ . 1 ]" 1
226 1 18 TYR QD 1 19 ARG H 1.800 . 5.600 4.221 3.409 4.689 . 0 0 "[ . 1 ]" 1
227 1 18 TYR QD 1 19 ARG HA 1.800 . 7.300 4.667 3.382 5.827 . 0 0 "[ . 1 ]" 1
228 1 18 TYR QD 1 19 ARG QB 1.800 . 7.800 5.346 4.259 6.064 . 0 0 "[ . 1 ]" 1
229 1 18 TYR QD 1 19 ARG HG2 1.800 . 7.300 5.309 4.001 6.040 . 0 0 "[ . 1 ]" 1
230 1 18 TYR QD 1 19 ARG HG3 1.800 . 7.300 5.498 4.411 6.270 . 0 0 "[ . 1 ]" 1
231 1 19 ARG H 1 19 ARG QB 1.800 . 3.300 2.187 2.072 2.504 . 0 0 "[ . 1 ]" 1
232 1 19 ARG H 1 19 ARG HG2 1.800 . 5.000 3.768 3.320 4.082 . 0 0 "[ . 1 ]" 1
233 1 19 ARG H 1 19 ARG HG3 1.800 . 5.000 3.495 2.033 4.239 . 0 0 "[ . 1 ]" 1
234 1 19 ARG H 1 20 TYR H 1.800 . 2.800 2.572 2.210 2.819 0.019 13 0 "[ . 1 ]" 1
235 1 19 ARG H 1 21 ARG H 1.800 . 5.000 4.300 3.865 4.959 . 0 0 "[ . 1 ]" 1
236 1 19 ARG H 1 22 SER H 1.800 . 5.000 4.874 4.618 5.032 0.032 6 0 "[ . 1 ]" 1
237 1 19 ARG HA 1 19 ARG HG2 1.800 . 3.300 2.047 1.910 2.696 . 0 0 "[ . 1 ]" 1
238 1 19 ARG HA 1 19 ARG HG3 1.800 . 3.300 3.165 2.880 3.324 0.024 2 0 "[ . 1 ]" 1
239 1 19 ARG HA 1 20 TYR H 1.800 . 5.000 3.443 3.187 3.563 . 0 0 "[ . 1 ]" 1
240 1 19 ARG HA 1 22 SER H 1.800 . 5.000 3.600 3.116 4.225 . 0 0 "[ . 1 ]" 1
241 1 19 ARG HA 1 22 SER HB2 1.800 . 4.300 3.712 3.047 4.287 . 0 0 "[ . 1 ]" 1
242 1 19 ARG HA 1 22 SER HB3 1.800 . 4.300 2.864 2.385 3.418 . 0 0 "[ . 1 ]" 1
243 1 19 ARG QB 1 20 TYR H 1.800 . 3.800 3.029 2.606 3.541 . 0 0 "[ . 1 ]" 1
244 1 19 ARG HG2 1 20 TYR H 1.800 . 5.000 4.950 4.818 5.197 0.197 5 0 "[ . 1 ]" 1
245 1 19 ARG HG3 1 20 TYR H 1.800 . 5.000 5.174 4.289 5.634 0.634 9 2 "[ - . +1 ]" 1
246 1 20 TYR H 1 20 TYR HB2 1.800 . 3.300 2.810 2.650 3.081 . 0 0 "[ . 1 ]" 1
247 1 20 TYR H 1 20 TYR HB3 1.800 . 2.800 2.440 2.267 2.623 . 0 0 "[ . 1 ]" 1
248 1 20 TYR H 1 20 TYR QD 1.800 . 5.600 4.166 3.984 4.254 . 0 0 "[ . 1 ]" 1
249 1 20 TYR H 1 21 ARG H 1.800 . 2.800 2.504 2.017 2.769 . 0 0 "[ . 1 ]" 1
250 1 20 TYR H 1 22 SER H 1.800 . 5.000 3.854 3.353 4.592 . 0 0 "[ . 1 ]" 1
251 1 20 TYR H 1 23 VAL H 1.800 . 5.000 4.822 4.453 5.005 0.005 11 0 "[ . 1 ]" 1
252 1 20 TYR HA 1 20 TYR QD 1.800 . 5.300 2.673 2.079 3.191 . 0 0 "[ . 1 ]" 1
253 1 20 TYR HA 1 21 ARG H 1.800 . 5.000 3.535 3.398 3.584 . 0 0 "[ . 1 ]" 1
254 1 20 TYR HA 1 23 VAL H 1.800 . 5.000 3.729 3.258 4.115 . 0 0 "[ . 1 ]" 1
255 1 20 TYR HA 1 24 ILE H 1.800 . 5.000 4.398 3.930 5.010 0.010 7 0 "[ . 1 ]" 1
256 1 20 TYR HB2 1 21 ARG H 1.800 . 5.000 3.963 3.424 4.310 . 0 0 "[ . 1 ]" 1
257 1 20 TYR HB3 1 21 ARG H 1.800 . 5.000 2.657 1.866 3.283 . 0 0 "[ . 1 ]" 1
258 1 20 TYR QD 1 21 ARG H 1.800 . 7.600 3.335 2.512 4.335 . 0 0 "[ . 1 ]" 1
259 1 20 TYR QD 1 21 ARG HA 1.800 . 7.300 3.418 2.618 4.347 . 0 0 "[ . 1 ]" 1
260 1 20 TYR QD 1 21 ARG QB 1.800 . 7.800 3.841 3.096 4.251 . 0 0 "[ . 1 ]" 1
261 1 20 TYR QD 1 21 ARG HG2 1.800 . 7.300 4.889 3.192 6.264 . 0 0 "[ . 1 ]" 1
262 1 20 TYR QD 1 21 ARG HG3 1.800 . 7.300 3.791 2.536 5.757 . 0 0 "[ . 1 ]" 1
263 1 20 TYR QD 1 23 VAL MG1 1.800 . 8.300 4.582 2.528 5.787 . 0 0 "[ . 1 ]" 1
264 1 20 TYR QD 1 23 VAL MG2 1.800 . 8.300 4.887 3.950 5.636 . 0 0 "[ . 1 ]" 1
265 1 20 TYR QD 1 24 ILE MD 1.800 . 8.300 3.428 2.337 4.702 . 0 0 "[ . 1 ]" 1
266 1 20 TYR QD 1 24 ILE MG 1.800 . 8.300 5.023 2.768 5.747 . 0 0 "[ . 1 ]" 1
267 1 20 TYR QE 1 21 ARG QB 1.800 . 7.800 5.386 4.603 5.871 . 0 0 "[ . 1 ]" 1
268 1 20 TYR QE 1 24 ILE MD 1.800 . 6.300 3.127 2.551 3.872 . 0 0 "[ . 1 ]" 1
269 1 20 TYR QE 1 24 ILE HG13 1.800 . 7.800 4.829 3.136 6.196 . 0 0 "[ . 1 ]" 1
270 1 20 TYR QE 1 24 ILE MG 1.800 . 6.300 4.033 1.986 4.696 . 0 0 "[ . 1 ]" 1
271 1 21 ARG H 1 21 ARG QB 1.800 . 3.300 2.176 2.070 2.385 . 0 0 "[ . 1 ]" 1
272 1 21 ARG H 1 21 ARG HG2 1.800 . 5.000 4.377 3.539 4.642 . 0 0 "[ . 1 ]" 1
273 1 21 ARG H 1 21 ARG HG3 1.800 . 5.000 3.855 2.918 4.564 . 0 0 "[ . 1 ]" 1
274 1 21 ARG H 1 22 SER H 1.800 . 2.800 2.532 2.251 2.835 0.035 9 0 "[ . 1 ]" 1
275 1 21 ARG H 1 23 VAL H 1.800 . 5.000 4.015 3.527 4.665 . 0 0 "[ . 1 ]" 1
276 1 21 ARG HA 1 21 ARG HG2 1.800 . 3.300 2.503 2.013 2.928 . 0 0 "[ . 1 ]" 1
277 1 21 ARG HA 1 21 ARG HG3 1.800 . 3.300 2.500 2.017 3.211 . 0 0 "[ . 1 ]" 1
278 1 21 ARG HA 1 22 SER H 1.800 . 5.000 3.528 3.465 3.580 . 0 0 "[ . 1 ]" 1
279 1 21 ARG QB 1 22 SER H 1.800 . 4.300 2.718 2.461 2.963 . 0 0 "[ . 1 ]" 1
280 1 21 ARG HG2 1 22 SER H 1.800 . 5.000 4.713 4.148 5.055 0.055 13 0 "[ . 1 ]" 1
281 1 21 ARG HG3 1 22 SER H 1.800 . 5.000 4.986 4.775 5.068 0.068 1 0 "[ . 1 ]" 1
282 1 22 SER H 1 22 SER HB2 1.800 . 3.300 2.611 2.365 3.035 . 0 0 "[ . 1 ]" 1
283 1 22 SER H 1 22 SER HB3 1.800 . 2.800 2.538 2.208 2.782 . 0 0 "[ . 1 ]" 1
284 1 22 SER H 1 23 VAL H 1.800 . 2.800 2.646 2.363 2.817 0.017 3 0 "[ . 1 ]" 1
285 1 22 SER H 1 24 ILE H 1.800 . 5.000 4.179 3.880 4.476 . 0 0 "[ . 1 ]" 1
286 1 22 SER H 1 25 LYS H 1.800 . 5.000 4.722 4.173 5.016 0.016 7 0 "[ . 1 ]" 1
287 1 22 SER HA 1 23 VAL H 1.800 . 5.000 3.487 3.351 3.587 . 0 0 "[ . 1 ]" 1
288 1 22 SER HA 1 24 ILE H 1.800 . 5.000 4.481 4.064 4.876 . 0 0 "[ . 1 ]" 1
289 1 22 SER HA 1 25 LYS H 1.800 . 5.000 3.653 3.201 4.148 . 0 0 "[ . 1 ]" 1
290 1 22 SER HB2 1 23 VAL H 1.800 . 5.500 4.044 3.719 4.354 . 0 0 "[ . 1 ]" 1
291 1 22 SER HB3 1 23 VAL H 1.800 . 5.500 2.936 2.482 3.442 . 0 0 "[ . 1 ]" 1
292 1 23 VAL H 1 23 VAL HB 1.800 . 2.800 2.591 2.380 2.798 . 0 0 "[ . 1 ]" 1
293 1 23 VAL H 1 23 VAL MG1 1.800 . 6.000 3.283 1.851 3.889 . 0 0 "[ . 1 ]" 1
294 1 23 VAL H 1 23 VAL MG2 1.800 . 6.000 2.744 2.078 3.820 . 0 0 "[ . 1 ]" 1
295 1 23 VAL H 1 24 ILE H 1.800 . 2.800 2.416 1.957 2.811 0.011 13 0 "[ . 1 ]" 1
296 1 23 VAL H 1 25 LYS H 1.800 . 5.000 3.704 3.215 4.124 . 0 0 "[ . 1 ]" 1
297 1 23 VAL HA 1 23 VAL MG1 1.800 . 3.800 2.562 2.147 3.199 . 0 0 "[ . 1 ]" 1
298 1 23 VAL HA 1 23 VAL MG2 1.800 . 3.800 2.359 2.187 2.479 . 0 0 "[ . 1 ]" 1
299 1 23 VAL HA 1 24 ILE H 1.800 . 5.000 3.529 3.444 3.580 . 0 0 "[ . 1 ]" 1
300 1 23 VAL HA 1 25 LYS H 1.800 . 5.000 4.190 3.688 4.582 . 0 0 "[ . 1 ]" 1
301 1 23 VAL HB 1 24 ILE H 1.800 . 3.800 3.089 2.427 3.861 0.061 2 0 "[ . 1 ]" 1
302 1 23 VAL MG1 1 24 ILE H 1.800 . 5.000 3.115 1.764 4.048 0.036 5 0 "[ . 1 ]" 1
303 1 23 VAL MG1 1 24 ILE MD 1.800 . 4.800 2.054 1.668 2.606 0.132 6 0 "[ . 1 ]" 1
304 1 23 VAL MG1 1 24 ILE HG13 1.800 . 6.500 3.455 2.362 4.664 . 0 0 "[ . 1 ]" 1
305 1 23 VAL MG2 1 24 ILE H 1.800 . 5.000 3.780 3.515 4.016 . 0 0 "[ . 1 ]" 1
306 1 23 VAL MG2 1 24 ILE MD 1.800 . 4.800 3.171 2.567 3.392 . 0 0 "[ . 1 ]" 1
307 1 24 ILE H 1 24 ILE HB 1.800 . 3.300 2.533 2.275 2.802 . 0 0 "[ . 1 ]" 1
308 1 24 ILE H 1 24 ILE MD 1.800 . 6.000 2.332 1.833 3.310 . 0 0 "[ . 1 ]" 1
309 1 24 ILE H 1 24 ILE HG12 1.800 . 5.000 3.888 1.885 4.639 . 0 0 "[ . 1 ]" 1
310 1 24 ILE H 1 24 ILE HG13 1.800 . 5.000 3.731 3.241 4.564 . 0 0 "[ . 1 ]" 1
311 1 24 ILE H 1 24 ILE MG 1.800 . 6.000 3.728 2.855 3.917 . 0 0 "[ . 1 ]" 1
312 1 24 ILE H 1 25 LYS H 1.800 . 2.800 2.396 1.985 2.825 0.025 5 0 "[ . 1 ]" 1
313 1 24 ILE HA 1 24 ILE MD 1.800 . 4.300 2.789 1.852 3.693 . 0 0 "[ . 1 ]" 1
314 1 24 ILE HA 1 24 ILE HG12 1.800 . 3.800 3.497 3.079 3.640 . 0 0 "[ . 1 ]" 1
315 1 24 ILE HA 1 24 ILE HG13 1.800 . 3.800 2.593 2.285 3.793 . 0 0 "[ . 1 ]" 1
316 1 24 ILE HA 1 24 ILE MG 1.800 . 4.300 2.396 2.143 3.099 . 0 0 "[ . 1 ]" 1
317 1 24 ILE HA 1 25 LYS H 1.800 . 5.000 3.229 2.787 3.515 . 0 0 "[ . 1 ]" 1
318 1 24 ILE HB 1 25 LYS H 1.800 . 5.000 3.605 2.932 4.274 . 0 0 "[ . 1 ]" 1
319 1 24 ILE QG 1 25 LYS H 1.800 . 5.500 4.564 3.852 4.852 . 0 0 "[ . 1 ]" 1
320 1 24 ILE MG 1 25 LYS H 1.800 . 6.000 3.861 3.321 4.223 . 0 0 "[ . 1 ]" 1
321 1 25 LYS H 1 25 LYS HB2 1.800 . 3.300 2.614 2.093 3.227 . 0 0 "[ . 1 ]" 1
322 1 25 LYS H 1 25 LYS HB3 1.800 . 3.300 2.987 2.491 3.370 0.070 4 0 "[ . 1 ]" 1
323 1 25 LYS H 1 25 LYS QG 1.800 . 5.500 3.960 3.354 4.380 . 0 0 "[ . 1 ]" 1
324 1 25 LYS HA 1 25 LYS QG 1.800 . 3.800 2.259 1.897 2.843 . 0 0 "[ . 1 ]" 1
325 1 25 LYS HA 1 26 ALA H 1.800 . 5.000 2.812 2.201 3.588 . 0 0 "[ . 1 ]" 1
326 1 25 LYS HB2 1 26 ALA H 1.800 . 5.000 4.031 3.372 4.694 . 0 0 "[ . 1 ]" 1
327 1 25 LYS HB3 1 26 ALA H 1.800 . 5.000 3.322 1.875 4.536 . 0 0 "[ . 1 ]" 1
328 1 25 LYS QG 1 26 ALA H 1.800 . 5.500 3.174 2.092 4.538 . 0 0 "[ . 1 ]" 1
329 1 26 ALA H 1 26 ALA MB 1.800 . 3.800 2.652 2.237 2.978 . 0 0 "[ . 1 ]" 1
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