NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
512368 |
2lcz   |
17639 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2lcz
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 653
_Distance_constraint_stats_list.Viol_count 2522
_Distance_constraint_stats_list.Viol_total 2508.498
_Distance_constraint_stats_list.Viol_max 0.196
_Distance_constraint_stats_list.Viol_rms 0.0271
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0096
_Distance_constraint_stats_list.Viol_average_violations_only 0.0497
_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 ALA 0.008 0.005 19 0 "[ . 1 . 2]"
1 2 GLN 0.397 0.093 20 0 "[ . 1 . 2]"
1 3 PRO 0.455 0.093 20 0 "[ . 1 . 2]"
1 4 LYS 0.247 0.061 20 0 "[ . 1 . 2]"
1 5 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 6 ASN 4.879 0.142 20 0 "[ . 1 . 2]"
1 7 PRO 5.384 0.142 20 0 "[ . 1 . 2]"
1 8 ASN 6.438 0.196 18 0 "[ . 1 . 2]"
1 9 LEU 5.415 0.196 18 0 "[ . 1 . 2]"
1 10 HIS 5.932 0.173 19 0 "[ . 1 . 2]"
1 11 TYR 5.063 0.148 7 0 "[ . 1 . 2]"
1 12 TRP 14.552 0.173 8 0 "[ . 1 . 2]"
1 13 THR 7.036 0.173 19 0 "[ . 1 . 2]"
1 14 THR 4.478 0.151 5 0 "[ . 1 . 2]"
1 15 GLN 4.575 0.120 2 0 "[ . 1 . 2]"
1 16 ASP 7.169 0.178 1 0 "[ . 1 . 2]"
1 17 GLU 5.569 0.178 1 0 "[ . 1 . 2]"
1 18 GLY 2.785 0.139 9 0 "[ . 1 . 2]"
1 19 ALA 7.431 0.190 10 0 "[ . 1 . 2]"
1 20 ALA 3.436 0.177 7 0 "[ . 1 . 2]"
1 21 ILE 8.105 0.190 10 0 "[ . 1 . 2]"
1 22 GLY 1.634 0.151 18 0 "[ . 1 . 2]"
1 23 LEU 8.727 0.173 10 0 "[ . 1 . 2]"
1 24 ALA 7.389 0.165 2 0 "[ . 1 . 2]"
1 25 TRP 9.147 0.190 12 0 "[ . 1 . 2]"
1 26 ILE 7.437 0.122 13 0 "[ . 1 . 2]"
1 27 PRO 0.345 0.066 6 0 "[ . 1 . 2]"
1 28 TYR 0.856 0.061 14 0 "[ . 1 . 2]"
1 29 PHE 3.087 0.143 14 0 "[ . 1 . 2]"
1 30 GLY 1.245 0.143 14 0 "[ . 1 . 2]"
1 31 PRO 1.445 0.056 12 0 "[ . 1 . 2]"
1 32 ALA 1.058 0.079 20 0 "[ . 1 . 2]"
1 33 ALA 0.695 0.060 20 0 "[ . 1 . 2]"
1 34 GLU 1.548 0.132 3 0 "[ . 1 . 2]"
1 35 GLY 1.706 0.072 10 0 "[ . 1 . 2]"
1 36 ILE 8.579 0.170 17 0 "[ . 1 . 2]"
1 37 TYR 12.743 0.170 17 0 "[ . 1 . 2]"
1 38 ILE 3.398 0.099 5 0 "[ . 1 . 2]"
1 39 GLU 6.926 0.167 7 0 "[ . 1 . 2]"
1 40 GLY 0.387 0.043 7 0 "[ . 1 . 2]"
1 41 LEU 5.134 0.167 20 0 "[ . 1 . 2]"
1 42 MET 6.069 0.119 5 0 "[ . 1 . 2]"
1 43 HIS 1.846 0.118 12 0 "[ . 1 . 2]"
1 44 ASN 0.814 0.071 3 0 "[ . 1 . 2]"
1 45 GLN 6.022 0.123 12 0 "[ . 1 . 2]"
1 46 ASP 2.846 0.118 12 0 "[ . 1 . 2]"
1 47 GLY 0.598 0.047 3 0 "[ . 1 . 2]"
1 48 LEU 3.804 0.127 1 0 "[ . 1 . 2]"
1 49 ILE 6.017 0.155 20 0 "[ . 1 . 2]"
1 50 CYS 3.873 0.123 12 0 "[ . 1 . 2]"
1 51 GLY 0.576 0.061 20 0 "[ . 1 . 2]"
1 52 LEU 0.706 0.046 4 0 "[ . 1 . 2]"
1 53 ARG 4.942 0.154 20 0 "[ . 1 . 2]"
1 54 GLN 6.488 0.155 20 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 1 ALA MB 1 2 GLN H 1.800 . 5.500 2.597 1.941 3.720 . 0 0 "[ . 1 . 2]" 1
2 1 1 ALA MB 1 2 GLN QB 1.800 . 4.100 3.619 3.122 4.105 0.005 19 0 "[ . 1 . 2]" 1
3 1 2 GLN H 1 3 PRO HB2 1.800 . 5.500 5.486 5.388 5.593 0.093 20 0 "[ . 1 . 2]" 1
4 1 2 GLN H 1 3 PRO HB3 1.800 . 5.500 4.576 4.168 5.518 0.018 16 0 "[ . 1 . 2]" 1
5 1 2 GLN HA 1 2 GLN QG 1.800 . 4.200 2.768 2.039 3.357 . 0 0 "[ . 1 . 2]" 1
6 1 2 GLN HA 1 3 PRO HD2 1.800 . 3.400 2.556 2.283 2.875 . 0 0 "[ . 1 . 2]" 1
7 1 2 GLN HA 1 3 PRO HD3 1.800 . 3.400 2.915 2.333 3.205 . 0 0 "[ . 1 . 2]" 1
8 1 2 GLN QB 1 54 GLN HA 1.800 . 3.600 3.329 2.680 3.619 0.019 20 0 "[ . 1 . 2]" 1
9 1 2 GLN QE 1 4 LYS QE 1.800 . 5.400 4.780 2.976 5.402 0.002 17 0 "[ . 1 . 2]" 1
10 1 2 GLN QE 1 52 LEU QD 1.800 . 5.300 4.990 4.015 5.314 0.014 20 0 "[ . 1 . 2]" 1
11 1 3 PRO HA 1 4 LYS H 1.800 . 3.200 2.325 2.152 2.698 . 0 0 "[ . 1 . 2]" 1
12 1 3 PRO HA 1 4 LYS QB 1.800 . 4.700 4.514 4.166 4.751 0.051 20 0 "[ . 1 . 2]" 1
13 1 3 PRO HA 1 4 LYS QE 1.800 . 4.800 3.708 2.249 4.808 0.008 20 0 "[ . 1 . 2]" 1
14 1 3 PRO HA 1 4 LYS QG 1.800 . 4.800 3.843 3.241 4.736 . 0 0 "[ . 1 . 2]" 1
15 1 3 PRO QD 1 54 GLN HA 1.800 . 4.600 4.394 3.585 4.664 0.064 20 0 "[ . 1 . 2]" 1
16 1 4 LYS H 1 4 LYS QB 1.800 . 3.500 2.609 2.193 3.093 . 0 0 "[ . 1 . 2]" 1
17 1 4 LYS H 1 4 LYS QG 1.800 . 4.000 2.553 1.971 3.612 . 0 0 "[ . 1 . 2]" 1
18 1 4 LYS HA 1 6 ASN QD 1.800 . 4.900 4.165 2.133 4.850 . 0 0 "[ . 1 . 2]" 1
19 1 4 LYS HA 1 51 GLY H 1.800 . 4.900 4.639 3.929 4.961 0.061 20 0 "[ . 1 . 2]" 1
20 1 4 LYS QE 1 4 LYS QG 1.800 . 3.600 2.106 1.958 2.291 . 0 0 "[ . 1 . 2]" 1
21 1 5 CYS H 1 6 ASN HA 1.800 . 5.400 5.237 5.136 5.326 . 0 0 "[ . 1 . 2]" 1
22 1 5 CYS H 1 49 ILE HA 1.800 . 5.500 4.448 4.011 4.727 . 0 0 "[ . 1 . 2]" 1
23 1 5 CYS H 1 50 CYS HA 1.800 . 4.800 2.579 2.120 2.956 . 0 0 "[ . 1 . 2]" 1
24 1 5 CYS HB2 1 6 ASN H 1.800 . 5.500 4.485 4.085 4.659 . 0 0 "[ . 1 . 2]" 1
25 1 5 CYS HB3 1 6 ASN H 1.800 . 5.500 3.940 3.461 4.292 . 0 0 "[ . 1 . 2]" 1
26 1 6 ASN H 1 7 PRO QD 1.800 . 5.400 1.808 1.789 1.843 0.011 7 0 "[ . 1 . 2]" 1
27 1 6 ASN HA 1 7 PRO QB 1.800 . 5.700 5.356 5.246 5.435 . 0 0 "[ . 1 . 2]" 1
28 1 6 ASN HA 1 7 PRO QD 1.800 . 4.050 3.455 3.437 3.474 . 0 0 "[ . 1 . 2]" 1
29 1 6 ASN HA 1 7 PRO QG 1.800 . 4.900 5.008 4.980 5.042 0.142 20 0 "[ . 1 . 2]" 1
30 1 6 ASN HA 1 8 ASN H 1.800 . 4.600 4.119 4.010 4.303 . 0 0 "[ . 1 . 2]" 1
31 1 6 ASN HA 1 49 ILE MG 1.800 . 5.000 5.046 5.005 5.086 0.086 1 0 "[ . 1 . 2]" 1
32 1 6 ASN QB 1 6 ASN QD 1.800 . 3.100 2.335 2.269 2.417 . 0 0 "[ . 1 . 2]" 1
33 1 6 ASN QB 1 7 PRO HA 1.800 . 4.900 4.099 4.070 4.123 . 0 0 "[ . 1 . 2]" 1
34 1 6 ASN QB 1 7 PRO QD 1.800 . 4.300 1.766 1.748 1.783 0.052 1 0 "[ . 1 . 2]" 1
35 1 6 ASN QB 1 49 ILE QG 1.800 . 4.200 4.131 3.894 4.228 0.028 16 0 "[ . 1 . 2]" 1
36 1 6 ASN QB 1 49 ILE MG 1.800 . 4.000 2.619 2.565 2.729 . 0 0 "[ . 1 . 2]" 1
37 1 6 ASN HB2 1 7 PRO QG 1.800 . 5.000 2.826 2.766 2.908 . 0 0 "[ . 1 . 2]" 1
38 1 6 ASN HB2 1 49 ILE MG 1.800 . 4.700 2.645 2.590 2.759 . 0 0 "[ . 1 . 2]" 1
39 1 6 ASN HB3 1 7 PRO QG 1.800 . 5.000 4.166 4.067 4.274 . 0 0 "[ . 1 . 2]" 1
40 1 6 ASN HB3 1 49 ILE MG 1.800 . 4.700 4.204 4.142 4.302 . 0 0 "[ . 1 . 2]" 1
41 1 6 ASN QD 1 7 PRO QD 1.800 . 4.500 2.418 2.272 2.475 . 0 0 "[ . 1 . 2]" 1
42 1 6 ASN QD 1 7 PRO QG 1.800 . 4.800 3.985 3.850 4.083 . 0 0 "[ . 1 . 2]" 1
43 1 6 ASN QD 1 49 ILE QG 1.800 . 4.400 3.700 3.531 3.936 . 0 0 "[ . 1 . 2]" 1
44 1 6 ASN QD 1 49 ILE MG 1.800 . 3.900 2.735 2.592 2.847 . 0 0 "[ . 1 . 2]" 1
45 1 6 ASN QD 1 50 CYS HA 1.800 . 4.700 4.742 4.720 4.774 0.074 12 0 "[ . 1 . 2]" 1
46 1 6 ASN HD21 1 7 PRO QG 1.800 . 5.500 4.092 3.946 4.207 . 0 0 "[ . 1 . 2]" 1
47 1 6 ASN HD21 1 49 ILE MG 1.800 . 4.600 2.799 2.656 2.920 . 0 0 "[ . 1 . 2]" 1
48 1 6 ASN HD22 1 7 PRO QG 1.800 . 5.500 5.486 5.358 5.533 0.033 16 0 "[ . 1 . 2]" 1
49 1 6 ASN HD22 1 49 ILE MG 1.800 . 4.600 3.859 3.584 4.071 . 0 0 "[ . 1 . 2]" 1
50 1 7 PRO HA 1 8 ASN H 1.800 . 3.500 3.196 3.120 3.373 . 0 0 "[ . 1 . 2]" 1
51 1 7 PRO QB 1 8 ASN H 1.800 . 4.000 3.809 3.629 3.870 . 0 0 "[ . 1 . 2]" 1
52 1 7 PRO QB 1 9 LEU QD 1.800 . 4.800 3.546 3.401 3.706 . 0 0 "[ . 1 . 2]" 1
53 1 7 PRO QB 1 12 TRP HE1 1.800 . 5.100 5.139 5.094 5.180 0.080 3 0 "[ . 1 . 2]" 1
54 1 7 PRO QB 1 13 THR H 1.800 . 5.400 5.421 4.694 5.504 0.104 12 0 "[ . 1 . 2]" 1
55 1 7 PRO QD 1 8 ASN H 1.800 . 4.300 2.293 1.977 2.440 . 0 0 "[ . 1 . 2]" 1
56 1 7 PRO QD 1 9 LEU QD 1.800 . 4.400 3.238 3.043 3.402 . 0 0 "[ . 1 . 2]" 1
57 1 7 PRO HD2 1 9 LEU QD 1.800 . 5.000 3.453 3.228 3.642 . 0 0 "[ . 1 . 2]" 1
58 1 7 PRO HD3 1 9 LEU QD 1.800 . 5.000 3.919 3.724 4.081 . 0 0 "[ . 1 . 2]" 1
59 1 7 PRO QG 1 8 ASN H 1.800 . 3.900 3.868 3.635 3.943 0.043 16 0 "[ . 1 . 2]" 1
60 1 7 PRO QG 1 8 ASN HD21 1.800 . 4.800 2.982 2.861 3.267 . 0 0 "[ . 1 . 2]" 1
61 1 7 PRO QG 1 8 ASN HD22 1.800 . 4.800 3.860 3.633 4.045 . 0 0 "[ . 1 . 2]" 1
62 1 7 PRO QG 1 9 LEU QD 1.800 . 4.200 4.174 4.029 4.229 0.029 2 0 "[ . 1 . 2]" 1
63 1 8 ASN H 1 8 ASN HB2 1.800 . 3.900 2.430 2.310 2.501 . 0 0 "[ . 1 . 2]" 1
64 1 8 ASN H 1 8 ASN QB 1.800 . 3.400 2.390 2.280 2.458 . 0 0 "[ . 1 . 2]" 1
65 1 8 ASN H 1 8 ASN HB3 1.800 . 3.900 3.541 3.474 3.613 . 0 0 "[ . 1 . 2]" 1
66 1 8 ASN H 1 8 ASN HD21 1.800 . 5.200 3.418 3.210 3.516 . 0 0 "[ . 1 . 2]" 1
67 1 8 ASN H 1 8 ASN HD22 1.800 . 5.200 4.879 4.631 4.975 . 0 0 "[ . 1 . 2]" 1
68 1 8 ASN H 1 9 LEU H 1.800 . 4.100 3.101 2.930 3.455 . 0 0 "[ . 1 . 2]" 1
69 1 8 ASN H 1 9 LEU QB 1.800 . 4.600 4.715 4.674 4.796 0.196 18 0 "[ . 1 . 2]" 1
70 1 8 ASN H 1 9 LEU QD 1.800 . 4.900 1.784 1.761 1.809 0.039 5 0 "[ . 1 . 2]" 1
71 1 8 ASN HA 1 9 LEU H 1.800 . 3.500 2.554 2.457 2.651 . 0 0 "[ . 1 . 2]" 1
72 1 8 ASN HA 1 12 TRP QB 1.800 . 4.600 3.586 3.110 4.020 . 0 0 "[ . 1 . 2]" 1
73 1 8 ASN QB 1 8 ASN QD 1.800 . 2.800 2.174 2.135 2.238 . 0 0 "[ . 1 . 2]" 1
74 1 8 ASN QB 1 9 LEU H 1.800 . 4.300 3.903 3.875 3.916 . 0 0 "[ . 1 . 2]" 1
75 1 8 ASN QD 1 9 LEU QD 1.800 . 4.200 4.263 4.223 4.291 0.091 1 0 "[ . 1 . 2]" 1
76 1 8 ASN QD 1 46 ASP HA 1.800 . 3.800 2.449 1.946 3.048 . 0 0 "[ . 1 . 2]" 1
77 1 8 ASN QD 1 48 LEU QD 1.800 . 4.200 4.187 4.039 4.251 0.051 5 0 "[ . 1 . 2]" 1
78 1 8 ASN HD21 1 46 ASP HA 1.800 . 4.300 3.034 2.503 3.626 . 0 0 "[ . 1 . 2]" 1
79 1 8 ASN HD21 1 48 LEU HG 1.800 . 5.200 5.287 5.255 5.327 0.127 1 0 "[ . 1 . 2]" 1
80 1 8 ASN HD22 1 46 ASP HA 1.800 . 4.300 2.605 1.990 3.278 . 0 0 "[ . 1 . 2]" 1
81 1 8 ASN HD22 1 48 LEU HG 1.800 . 5.200 5.191 5.076 5.231 0.031 18 0 "[ . 1 . 2]" 1
82 1 9 LEU H 1 9 LEU QB 1.800 . 3.200 2.902 2.750 3.181 . 0 0 "[ . 1 . 2]" 1
83 1 9 LEU H 1 9 LEU QD 1.800 . 4.100 1.806 1.775 1.830 0.025 17 0 "[ . 1 . 2]" 1
84 1 9 LEU HA 1 9 LEU QD 1.800 . 2.800 2.266 2.107 2.645 . 0 0 "[ . 1 . 2]" 1
85 1 9 LEU HA 1 10 HIS QB 1.800 . 5.200 4.308 4.172 4.889 . 0 0 "[ . 1 . 2]" 1
86 1 9 LEU QB 1 11 TYR QD 1.800 . 4.700 3.223 2.782 4.777 0.077 18 0 "[ . 1 . 2]" 1
87 1 9 LEU QB 1 11 TYR QE 1.800 . 4.900 2.477 1.937 4.917 0.017 5 0 "[ . 1 . 2]" 1
88 1 9 LEU QB 1 12 TRP HD1 1.800 . 5.000 4.500 3.937 5.037 0.037 5 0 "[ . 1 . 2]" 1
89 1 9 LEU QB 1 12 TRP HE1 1.800 . 5.200 4.703 4.426 4.999 . 0 0 "[ . 1 . 2]" 1
90 1 9 LEU QD 1 10 HIS HA 1.800 . 4.900 4.599 4.327 4.795 . 0 0 "[ . 1 . 2]" 1
91 1 9 LEU QD 1 10 HIS QB 1.800 . 5.300 4.311 4.022 4.446 . 0 0 "[ . 1 . 2]" 1
92 1 9 LEU QD 1 11 TYR H 1.800 . 5.100 3.463 3.179 3.628 . 0 0 "[ . 1 . 2]" 1
93 1 9 LEU QD 1 11 TYR HA 1.800 . 5.500 5.396 4.960 5.568 0.068 7 0 "[ . 1 . 2]" 1
94 1 9 LEU QD 1 11 TYR QD 1.800 . 4.400 2.348 1.892 3.255 . 0 0 "[ . 1 . 2]" 1
95 1 9 LEU QD 1 11 TYR QE 1.800 . 4.000 2.332 1.819 4.061 0.061 5 0 "[ . 1 . 2]" 1
96 1 9 LEU QD 1 12 TRP H 1.800 . 5.100 3.680 3.351 5.127 0.027 2 0 "[ . 1 . 2]" 1
97 1 9 LEU QD 1 12 TRP QB 1.800 . 5.400 3.659 3.387 3.926 . 0 0 "[ . 1 . 2]" 1
98 1 9 LEU QD 1 12 TRP HE1 1.800 . 4.200 2.784 2.215 3.228 . 0 0 "[ . 1 . 2]" 1
99 1 9 LEU QD 1 12 TRP HZ2 1.800 . 3.800 3.790 3.196 3.895 0.095 2 0 "[ . 1 . 2]" 1
100 1 9 LEU QD 1 13 THR H 1.800 . 5.500 3.970 3.795 4.246 . 0 0 "[ . 1 . 2]" 1
101 1 10 HIS H 1 10 HIS HD2 1.800 . 5.500 4.653 1.982 5.173 . 0 0 "[ . 1 . 2]" 1
102 1 10 HIS HA 1 10 HIS HD2 1.800 . 4.700 4.159 3.948 4.301 . 0 0 "[ . 1 . 2]" 1
103 1 10 HIS HA 1 14 THR H 1.800 . 4.400 3.574 3.108 4.551 0.151 5 0 "[ . 1 . 2]" 1
104 1 10 HIS HA 1 14 THR MG 1.800 . 5.100 4.677 4.103 5.170 0.070 2 0 "[ . 1 . 2]" 1
105 1 10 HIS QB 1 11 TYR H 1.800 . 4.100 3.047 2.194 3.243 . 0 0 "[ . 1 . 2]" 1
106 1 10 HIS QB 1 13 THR H 1.800 . 5.500 5.103 4.817 5.647 0.147 5 0 "[ . 1 . 2]" 1
107 1 10 HIS QB 1 13 THR MG 1.800 . 5.400 3.310 3.144 3.955 . 0 0 "[ . 1 . 2]" 1
108 1 10 HIS QB 1 14 THR H 1.800 . 5.200 4.870 4.546 5.216 0.016 2 0 "[ . 1 . 2]" 1
109 1 10 HIS HD2 1 11 TYR HA 1.800 . 4.500 3.257 2.869 4.550 0.050 17 0 "[ . 1 . 2]" 1
110 1 10 HIS HD2 1 11 TYR QB 1.800 . 4.700 4.048 3.497 4.345 . 0 0 "[ . 1 . 2]" 1
111 1 10 HIS HD2 1 13 THR MG 1.800 . 4.800 4.777 3.779 4.973 0.173 19 0 "[ . 1 . 2]" 1
112 1 10 HIS HE1 1 12 TRP HE1 1.800 . 5.000 5.143 5.077 5.173 0.173 8 0 "[ . 1 . 2]" 1
113 1 11 TYR H 1 11 TYR QB 1.800 . 3.700 2.967 2.782 3.014 . 0 0 "[ . 1 . 2]" 1
114 1 11 TYR H 1 11 TYR QD 1.800 . 4.300 1.844 1.753 2.418 0.047 1 0 "[ . 1 . 2]" 1
115 1 11 TYR HA 1 11 TYR QD 1.800 . 3.600 3.530 3.063 3.603 0.003 9 0 "[ . 1 . 2]" 1
116 1 11 TYR HA 1 12 TRP HE1 1.800 . 5.100 5.192 5.135 5.248 0.148 7 0 "[ . 1 . 2]" 1
117 1 11 TYR HA 1 15 GLN QB 1.800 . 5.100 5.120 4.863 5.166 0.066 9 0 "[ . 1 . 2]" 1
118 1 11 TYR HA 1 15 GLN QG 1.800 . 5.200 3.567 3.218 3.935 . 0 0 "[ . 1 . 2]" 1
119 1 11 TYR QB 1 12 TRP H 1.800 . 3.800 3.281 1.821 3.620 . 0 0 "[ . 1 . 2]" 1
120 1 11 TYR QB 1 12 TRP HD1 1.800 . 4.600 2.360 2.029 2.908 . 0 0 "[ . 1 . 2]" 1
121 1 11 TYR QB 1 12 TRP HE1 1.800 . 4.800 2.794 2.670 2.990 . 0 0 "[ . 1 . 2]" 1
122 1 11 TYR QB 1 13 THR H 1.800 . 5.100 5.057 4.254 5.191 0.091 12 0 "[ . 1 . 2]" 1
123 1 11 TYR QD 1 12 TRP H 1.800 . 4.600 3.009 2.475 4.281 . 0 0 "[ . 1 . 2]" 1
124 1 11 TYR QD 1 12 TRP HD1 1.800 . 4.500 1.987 1.762 3.039 0.038 3 0 "[ . 1 . 2]" 1
125 1 11 TYR QD 1 12 TRP HE1 1.800 . 4.600 2.416 1.778 2.622 0.022 5 0 "[ . 1 . 2]" 1
126 1 11 TYR QD 1 13 THR H 1.800 . 5.500 4.440 4.045 5.626 0.126 17 0 "[ . 1 . 2]" 1
127 1 11 TYR QD 1 13 THR MG 1.800 . 5.400 4.466 3.987 5.430 0.030 18 0 "[ . 1 . 2]" 1
128 1 12 TRP H 1 12 TRP QB 1.800 . 3.800 2.919 2.750 3.476 . 0 0 "[ . 1 . 2]" 1
129 1 12 TRP H 1 12 TRP HD1 1.800 . 4.200 1.865 1.746 2.851 0.054 8 0 "[ . 1 . 2]" 1
130 1 12 TRP H 1 12 TRP HE1 1.800 . 5.500 4.266 4.122 4.694 . 0 0 "[ . 1 . 2]" 1
131 1 12 TRP H 1 13 THR MG 1.800 . 4.900 3.175 2.822 4.788 . 0 0 "[ . 1 . 2]" 1
132 1 12 TRP HA 1 12 TRP HD1 1.800 . 4.580 3.541 3.299 3.975 . 0 0 "[ . 1 . 2]" 1
133 1 12 TRP HA 1 13 THR H 1.800 . 3.500 3.498 3.452 3.548 0.048 5 0 "[ . 1 . 2]" 1
134 1 12 TRP HA 1 14 THR H 1.800 . 4.200 3.997 3.724 4.288 0.088 2 0 "[ . 1 . 2]" 1
135 1 12 TRP QB 1 12 TRP HE1 1.800 . 4.400 4.533 4.483 4.567 0.167 7 0 "[ . 1 . 2]" 1
136 1 12 TRP QB 1 13 THR H 1.800 . 4.100 2.590 2.225 2.962 . 0 0 "[ . 1 . 2]" 1
137 1 12 TRP QB 1 13 THR HA 1.800 . 5.400 3.785 3.672 3.928 . 0 0 "[ . 1 . 2]" 1
138 1 12 TRP QB 1 13 THR HB 1.800 . 5.200 4.016 3.635 4.301 . 0 0 "[ . 1 . 2]" 1
139 1 12 TRP HB2 1 12 TRP HE1 1.800 . 5.100 4.987 4.875 5.084 . 0 0 "[ . 1 . 2]" 1
140 1 12 TRP HB2 1 13 THR MG 1.800 . 5.500 4.197 3.739 4.408 . 0 0 "[ . 1 . 2]" 1
141 1 12 TRP HB2 1 14 THR H 1.800 . 5.500 4.773 4.505 4.973 . 0 0 "[ . 1 . 2]" 1
142 1 12 TRP HB3 1 12 TRP HE1 1.800 . 5.100 5.208 5.171 5.236 0.136 12 0 "[ . 1 . 2]" 1
143 1 12 TRP HB3 1 13 THR MG 1.800 . 5.500 5.412 5.159 5.514 0.014 12 0 "[ . 1 . 2]" 1
144 1 12 TRP HB3 1 14 THR H 1.800 . 5.500 5.501 5.351 5.544 0.044 20 0 "[ . 1 . 2]" 1
145 1 12 TRP HD1 1 13 THR H 1.800 . 4.900 3.386 2.676 3.634 . 0 0 "[ . 1 . 2]" 1
146 1 12 TRP HD1 1 13 THR MG 1.800 . 4.400 4.222 3.236 4.431 0.031 20 0 "[ . 1 . 2]" 1
147 1 12 TRP HD1 1 14 THR H 1.800 . 5.500 4.845 4.031 5.078 . 0 0 "[ . 1 . 2]" 1
148 1 12 TRP HE1 1 17 GLU QG 1.800 . 5.300 4.996 4.119 5.341 0.041 6 0 "[ . 1 . 2]" 1
149 1 12 TRP HE1 1 35 GLY QA 1.800 . 5.200 5.230 5.207 5.268 0.068 16 0 "[ . 1 . 2]" 1
150 1 12 TRP HE1 1 36 ILE QG 1.800 . 4.400 4.423 4.271 4.488 0.088 7 0 "[ . 1 . 2]" 1
151 1 13 THR H 1 13 THR HB 1.800 . 3.900 2.624 2.453 2.928 . 0 0 "[ . 1 . 2]" 1
152 1 13 THR H 1 13 THR MG 1.800 . 3.600 2.046 1.883 2.390 . 0 0 "[ . 1 . 2]" 1
153 1 13 THR H 1 15 GLN QG 1.800 . 5.500 5.550 5.503 5.620 0.120 2 0 "[ . 1 . 2]" 1
154 1 13 THR HA 1 13 THR MG 1.800 . 3.500 3.204 3.187 3.231 . 0 0 "[ . 1 . 2]" 1
155 1 13 THR HA 1 14 THR H 1.800 . 3.400 3.443 3.391 3.470 0.070 4 0 "[ . 1 . 2]" 1
156 1 14 THR H 1 14 THR HB 1.800 . 3.600 2.258 2.140 2.371 . 0 0 "[ . 1 . 2]" 1
157 1 14 THR H 1 14 THR MG 1.800 . 3.600 3.142 2.715 3.590 . 0 0 "[ . 1 . 2]" 1
158 1 14 THR H 1 15 GLN H 1.800 . 4.800 2.623 2.491 2.879 . 0 0 "[ . 1 . 2]" 1
159 1 14 THR H 1 17 GLU QG 1.800 . 5.500 5.440 4.862 5.601 0.101 5 0 "[ . 1 . 2]" 1
160 1 14 THR HA 1 14 THR MG 1.800 . 3.700 2.986 2.687 3.177 . 0 0 "[ . 1 . 2]" 1
161 1 14 THR HB 1 15 GLN H 1.800 . 4.800 2.929 2.243 3.406 . 0 0 "[ . 1 . 2]" 1
162 1 14 THR HB 1 15 GLN QB 1.800 . 4.900 4.625 4.254 4.935 0.035 8 0 "[ . 1 . 2]" 1
163 1 14 THR HB 1 15 GLN QG 1.800 . 5.000 4.482 3.715 5.028 0.028 13 0 "[ . 1 . 2]" 1
164 1 14 THR MG 1 15 GLN H 1.800 . 4.300 1.854 1.798 1.934 0.002 11 0 "[ . 1 . 2]" 1
165 1 14 THR MG 1 15 GLN HA 1.800 . 4.600 3.119 3.082 3.237 . 0 0 "[ . 1 . 2]" 1
166 1 14 THR MG 1 15 GLN QB 1.800 . 4.400 2.225 2.149 2.340 . 0 0 "[ . 1 . 2]" 1
167 1 14 THR MG 1 15 GLN QE 1.800 . 5.000 4.859 4.731 4.951 . 0 0 "[ . 1 . 2]" 1
168 1 14 THR MG 1 16 ASP H 1.800 . 4.700 4.811 4.774 4.849 0.149 2 0 "[ . 1 . 2]" 1
169 1 14 THR MG 1 17 GLU H 1.800 . 5.100 4.943 4.777 5.103 0.003 10 0 "[ . 1 . 2]" 1
170 1 15 GLN H 1 15 GLN HB2 1.800 . 4.100 3.688 3.671 3.709 . 0 0 "[ . 1 . 2]" 1
171 1 15 GLN H 1 15 GLN QB 1.800 . 3.600 2.635 2.594 2.722 . 0 0 "[ . 1 . 2]" 1
172 1 15 GLN H 1 15 GLN HB3 1.800 . 4.100 2.699 2.651 2.802 . 0 0 "[ . 1 . 2]" 1
173 1 15 GLN H 1 15 GLN QG 1.800 . 4.000 2.391 2.288 2.490 . 0 0 "[ . 1 . 2]" 1
174 1 15 GLN HA 1 15 GLN QG 1.800 . 3.500 3.341 3.336 3.351 . 0 0 "[ . 1 . 2]" 1
175 1 15 GLN HA 1 16 ASP H 1.800 . 3.100 2.798 2.670 2.926 . 0 0 "[ . 1 . 2]" 1
176 1 15 GLN HA 1 16 ASP QB 1.800 . 5.100 4.469 4.221 4.742 . 0 0 "[ . 1 . 2]" 1
177 1 15 GLN QB 1 15 GLN QE 1.800 . 4.400 2.175 1.805 2.459 . 0 0 "[ . 1 . 2]" 1
178 1 15 GLN QB 1 16 ASP HA 1.800 . 4.500 4.524 4.460 4.552 0.052 13 0 "[ . 1 . 2]" 1
179 1 15 GLN HB2 1 16 ASP H 1.800 . 3.900 1.967 1.876 2.034 . 0 0 "[ . 1 . 2]" 1
180 1 15 GLN HB3 1 16 ASP H 1.800 . 3.900 3.460 3.408 3.524 . 0 0 "[ . 1 . 2]" 1
181 1 15 GLN QE 1 15 GLN QG 1.800 . 3.100 2.437 2.309 2.627 . 0 0 "[ . 1 . 2]" 1
182 1 15 GLN QE 1 16 ASP HA 1.800 . 4.400 4.319 3.581 4.450 0.050 10 0 "[ . 1 . 2]" 1
183 1 15 GLN QE 1 17 GLU QG 1.800 . 5.300 5.068 4.304 5.316 0.016 5 0 "[ . 1 . 2]" 1
184 1 15 GLN QE 1 19 ALA HA 1.800 . 4.600 4.069 3.312 4.719 0.119 4 0 "[ . 1 . 2]" 1
185 1 15 GLN QE 1 19 ALA MB 1.800 . 5.000 2.868 1.962 4.262 . 0 0 "[ . 1 . 2]" 1
186 1 15 GLN QE 1 21 ILE H 1.800 . 4.800 4.635 4.166 4.823 0.023 11 0 "[ . 1 . 2]" 1
187 1 15 GLN QE 1 21 ILE MD 1.800 . 5.000 3.215 1.804 4.168 . 0 0 "[ . 1 . 2]" 1
188 1 15 GLN HE21 1 21 ILE H 1.800 . 5.500 5.451 4.838 5.581 0.081 10 0 "[ . 1 . 2]" 1
189 1 15 GLN HE22 1 21 ILE H 1.800 . 5.500 5.025 4.468 5.280 . 0 0 "[ . 1 . 2]" 1
190 1 15 GLN QG 1 16 ASP H 1.800 . 4.200 2.487 2.228 2.988 . 0 0 "[ . 1 . 2]" 1
191 1 16 ASP H 1 16 ASP QB 1.800 . 3.400 2.259 2.116 2.398 . 0 0 "[ . 1 . 2]" 1
192 1 16 ASP H 1 19 ALA MB 1.800 . 4.500 3.517 2.645 4.521 0.021 9 0 "[ . 1 . 2]" 1
193 1 16 ASP HA 1 17 GLU H 1.800 . 3.000 2.889 2.817 3.021 0.021 4 0 "[ . 1 . 2]" 1
194 1 16 ASP HA 1 19 ALA H 1.800 . 4.200 4.237 3.938 4.360 0.160 2 0 "[ . 1 . 2]" 1
195 1 16 ASP QB 1 17 GLU H 1.800 . 3.600 3.745 3.676 3.778 0.178 1 0 "[ . 1 . 2]" 1
196 1 16 ASP QB 1 17 GLU HA 1.800 . 5.300 5.127 5.055 5.195 . 0 0 "[ . 1 . 2]" 1
197 1 16 ASP QB 1 18 GLY H 1.800 . 4.800 3.924 2.922 4.690 . 0 0 "[ . 1 . 2]" 1
198 1 16 ASP QB 1 19 ALA H 1.800 . 4.900 2.395 1.949 2.767 . 0 0 "[ . 1 . 2]" 1
199 1 16 ASP HB2 1 19 ALA MB 1.800 . 4.800 2.429 1.933 3.409 . 0 0 "[ . 1 . 2]" 1
200 1 16 ASP HB3 1 19 ALA MB 1.800 . 4.800 2.784 1.814 4.330 . 0 0 "[ . 1 . 2]" 1
201 1 17 GLU H 1 17 GLU QB 1.800 . 3.460 3.224 2.898 3.430 . 0 0 "[ . 1 . 2]" 1
202 1 17 GLU H 1 17 GLU QG 1.800 . 3.300 2.720 2.224 3.320 0.020 5 0 "[ . 1 . 2]" 1
203 1 17 GLU HA 1 17 GLU QG 1.800 . 3.600 2.418 2.147 2.749 . 0 0 "[ . 1 . 2]" 1
204 1 17 GLU HA 1 18 GLY H 1.800 . 3.200 2.676 2.290 3.208 0.008 16 0 "[ . 1 . 2]" 1
205 1 17 GLU QB 1 18 GLY H 1.800 . 4.000 3.776 3.491 3.932 . 0 0 "[ . 1 . 2]" 1
206 1 17 GLU QB 1 19 ALA H 1.800 . 4.900 4.107 3.795 4.698 . 0 0 "[ . 1 . 2]" 1
207 1 17 GLU QG 1 18 GLY H 1.800 . 4.200 4.255 4.182 4.339 0.139 9 0 "[ . 1 . 2]" 1
208 1 17 GLU QG 1 19 ALA H 1.800 . 5.100 5.123 4.899 5.212 0.112 8 0 "[ . 1 . 2]" 1
209 1 18 GLY H 1 19 ALA H 1.800 . 3.700 2.387 1.795 2.823 0.005 4 0 "[ . 1 . 2]" 1
210 1 18 GLY H 1 19 ALA MB 1.800 . 4.500 3.781 3.255 4.576 0.076 2 0 "[ . 1 . 2]" 1
211 1 18 GLY H 1 21 ILE MD 1.800 . 5.200 4.409 3.278 5.174 . 0 0 "[ . 1 . 2]" 1
212 1 18 GLY H 1 21 ILE QG 1.800 . 5.100 4.972 3.986 5.172 0.072 17 0 "[ . 1 . 2]" 1
213 1 18 GLY QA 1 19 ALA H 1.800 . 3.000 2.830 2.693 2.909 . 0 0 "[ . 1 . 2]" 1
214 1 18 GLY QA 1 19 ALA HA 1.800 . 4.400 4.288 3.974 4.513 0.113 17 0 "[ . 1 . 2]" 1
215 1 18 GLY QA 1 20 ALA H 1.800 . 4.100 3.177 2.875 3.835 . 0 0 "[ . 1 . 2]" 1
216 1 18 GLY QA 1 21 ILE H 1.800 . 5.500 4.370 4.176 4.691 . 0 0 "[ . 1 . 2]" 1
217 1 18 GLY QA 1 21 ILE QG 1.800 . 4.600 3.522 2.271 4.054 . 0 0 "[ . 1 . 2]" 1
218 1 18 GLY QA 1 23 LEU QD 1.800 . 3.800 3.186 2.584 3.840 0.040 9 0 "[ . 1 . 2]" 1
219 1 19 ALA H 1 19 ALA MB 1.800 . 2.800 2.611 2.293 2.844 0.044 10 0 "[ . 1 . 2]" 1
220 1 19 ALA H 1 20 ALA H 1.800 . 3.600 2.608 2.020 3.114 . 0 0 "[ . 1 . 2]" 1
221 1 19 ALA H 1 21 ILE MD 1.800 . 5.000 3.983 3.008 4.822 . 0 0 "[ . 1 . 2]" 1
222 1 19 ALA HA 1 21 ILE H 1.800 . 3.810 3.694 3.149 4.000 0.190 10 0 "[ . 1 . 2]" 1
223 1 19 ALA HA 1 21 ILE QG 1.800 . 5.000 4.269 3.306 5.158 0.158 11 0 "[ . 1 . 2]" 1
224 1 19 ALA MB 1 22 GLY H 1.800 . 4.770 4.815 4.708 4.921 0.151 18 0 "[ . 1 . 2]" 1
225 1 20 ALA H 1 20 ALA HA 1.800 . 2.700 2.510 2.264 2.877 0.177 7 0 "[ . 1 . 2]" 1
226 1 20 ALA H 1 20 ALA MB 1.800 . 2.700 2.518 2.139 2.739 0.039 17 0 "[ . 1 . 2]" 1
227 1 20 ALA H 1 21 ILE MD 1.800 . 4.000 2.910 1.951 3.738 . 0 0 "[ . 1 . 2]" 1
228 1 20 ALA HA 1 21 ILE H 1.800 . 3.000 3.063 3.001 3.096 0.096 16 0 "[ . 1 . 2]" 1
229 1 20 ALA HA 1 21 ILE MD 1.800 . 4.200 3.697 3.318 4.344 0.144 18 0 "[ . 1 . 2]" 1
230 1 20 ALA HA 1 21 ILE QG 1.800 . 4.600 4.503 4.124 4.635 0.035 20 0 "[ . 1 . 2]" 1
231 1 20 ALA MB 1 21 ILE H 1.800 . 3.560 3.522 3.468 3.576 0.016 4 0 "[ . 1 . 2]" 1
232 1 21 ILE H 1 21 ILE HB 1.800 . 3.400 3.470 3.242 3.536 0.136 11 0 "[ . 1 . 2]" 1
233 1 21 ILE H 1 21 ILE MD 1.800 . 3.300 2.062 1.846 2.478 . 0 0 "[ . 1 . 2]" 1
234 1 21 ILE H 1 21 ILE HG12 1.800 . 3.600 3.030 1.957 3.736 0.136 16 0 "[ . 1 . 2]" 1
235 1 21 ILE H 1 21 ILE HG13 1.800 . 3.600 2.498 1.794 3.644 0.044 14 0 "[ . 1 . 2]" 1
236 1 21 ILE HA 1 21 ILE MG 1.800 . 3.100 2.097 1.958 2.233 . 0 0 "[ . 1 . 2]" 1
237 1 21 ILE HB 1 22 GLY H 1.800 . 3.900 3.294 2.552 3.904 0.004 10 0 "[ . 1 . 2]" 1
238 1 21 ILE HB 1 23 LEU H 1.800 . 5.100 3.746 2.685 4.624 . 0 0 "[ . 1 . 2]" 1
239 1 21 ILE HB 1 25 TRP HE1 1.800 . 5.100 3.851 2.399 5.058 . 0 0 "[ . 1 . 2]" 1
240 1 21 ILE MD 1 22 GLY H 1.800 . 3.600 2.393 1.812 3.648 0.048 4 0 "[ . 1 . 2]" 1
241 1 21 ILE MD 1 25 TRP HH2 1.800 . 4.900 4.254 3.682 4.709 . 0 0 "[ . 1 . 2]" 1
242 1 21 ILE QG 1 22 GLY H 1.800 . 4.400 3.120 1.945 3.616 . 0 0 "[ . 1 . 2]" 1
243 1 22 GLY H 1 23 LEU QB 1.800 . 4.200 4.005 3.483 4.283 0.083 20 0 "[ . 1 . 2]" 1
244 1 22 GLY H 1 25 TRP HD1 1.800 . 5.200 4.075 3.587 4.562 . 0 0 "[ . 1 . 2]" 1
245 1 22 GLY H 1 25 TRP HE1 1.800 . 5.500 3.513 2.936 3.961 . 0 0 "[ . 1 . 2]" 1
246 1 22 GLY QA 1 23 LEU H 1.800 . 3.300 2.743 2.546 2.907 . 0 0 "[ . 1 . 2]" 1
247 1 22 GLY QA 1 25 TRP HD1 1.800 . 5.200 3.078 2.784 3.359 . 0 0 "[ . 1 . 2]" 1
248 1 22 GLY QA 1 25 TRP HE1 1.800 . 4.300 4.207 3.988 4.365 0.065 14 0 "[ . 1 . 2]" 1
249 1 23 LEU H 1 23 LEU QB 1.800 . 3.300 3.207 2.995 3.358 0.058 12 0 "[ . 1 . 2]" 1
250 1 23 LEU H 1 23 LEU QD 1.800 . 3.500 2.838 2.156 3.673 0.173 10 0 "[ . 1 . 2]" 1
251 1 23 LEU H 1 25 TRP H 1.800 . 5.100 3.653 3.342 4.125 . 0 0 "[ . 1 . 2]" 1
252 1 23 LEU H 1 25 TRP HE1 1.800 . 5.500 1.820 1.741 1.929 0.059 13 0 "[ . 1 . 2]" 1
253 1 23 LEU H 1 26 ILE H 1.800 . 5.400 4.953 4.348 5.432 0.032 19 0 "[ . 1 . 2]" 1
254 1 23 LEU H 1 26 ILE MD 1.800 . 5.200 3.683 3.283 4.135 . 0 0 "[ . 1 . 2]" 1
255 1 23 LEU H 1 26 ILE QG 1.800 . 5.500 4.679 3.375 5.595 0.095 2 0 "[ . 1 . 2]" 1
256 1 23 LEU HA 1 24 ALA H 1.800 . 3.500 3.469 3.399 3.530 0.030 4 0 "[ . 1 . 2]" 1
257 1 23 LEU HA 1 24 ALA HA 1.800 . 4.500 4.629 4.598 4.648 0.148 10 0 "[ . 1 . 2]" 1
258 1 23 LEU HA 1 25 TRP H 1.800 . 4.400 3.916 3.575 4.218 . 0 0 "[ . 1 . 2]" 1
259 1 23 LEU HA 1 25 TRP HD1 1.800 . 4.600 3.044 2.848 3.118 . 0 0 "[ . 1 . 2]" 1
260 1 23 LEU HA 1 25 TRP HE1 1.800 . 3.500 2.154 1.851 2.470 . 0 0 "[ . 1 . 2]" 1
261 1 23 LEU HA 1 26 ILE H 1.800 . 4.500 4.163 3.535 4.604 0.104 13 0 "[ . 1 . 2]" 1
262 1 23 LEU HA 1 26 ILE MD 1.800 . 4.500 2.523 2.053 2.884 . 0 0 "[ . 1 . 2]" 1
263 1 23 LEU QB 1 24 ALA H 1.800 . 3.600 2.763 2.331 3.092 . 0 0 "[ . 1 . 2]" 1
264 1 23 LEU QB 1 25 TRP HD1 1.800 . 4.800 4.099 3.841 4.330 . 0 0 "[ . 1 . 2]" 1
265 1 23 LEU QB 1 25 TRP HE1 1.800 . 4.300 4.101 3.764 4.347 0.047 11 0 "[ . 1 . 2]" 1
266 1 23 LEU QD 1 24 ALA H 1.800 . 3.700 3.775 3.660 3.823 0.123 1 0 "[ . 1 . 2]" 1
267 1 23 LEU QD 1 25 TRP HE1 1.800 . 3.300 2.935 2.617 3.285 . 0 0 "[ . 1 . 2]" 1
268 1 23 LEU QD 1 25 TRP HZ2 1.800 . 4.400 4.401 4.278 4.461 0.061 1 0 "[ . 1 . 2]" 1
269 1 23 LEU QD 1 37 TYR QE 1.800 . 3.400 2.274 2.084 2.800 . 0 0 "[ . 1 . 2]" 1
270 1 23 LEU HG 1 25 TRP HE1 1.800 . 4.200 4.240 4.202 4.277 0.077 4 0 "[ . 1 . 2]" 1
271 1 23 LEU HG 1 37 TYR QE 1.800 . 4.300 4.336 4.315 4.392 0.092 1 0 "[ . 1 . 2]" 1
272 1 24 ALA H 1 24 ALA MB 1.800 . 2.800 2.237 2.119 2.289 . 0 0 "[ . 1 . 2]" 1
273 1 24 ALA H 1 25 TRP H 1.800 . 3.600 2.650 2.319 3.355 . 0 0 "[ . 1 . 2]" 1
274 1 24 ALA H 1 25 TRP QB 1.800 . 4.700 4.587 4.368 4.742 0.042 3 0 "[ . 1 . 2]" 1
275 1 24 ALA H 1 25 TRP HD1 1.800 . 4.000 2.665 2.481 2.844 . 0 0 "[ . 1 . 2]" 1
276 1 24 ALA H 1 25 TRP HE1 1.800 . 4.300 4.389 4.337 4.465 0.165 2 0 "[ . 1 . 2]" 1
277 1 24 ALA H 1 26 ILE H 1.800 . 5.200 4.365 3.866 4.965 . 0 0 "[ . 1 . 2]" 1
278 1 24 ALA H 1 26 ILE MD 1.800 . 5.000 4.849 4.199 5.066 0.066 10 0 "[ . 1 . 2]" 1
279 1 24 ALA H 1 31 PRO QD 1.800 . 5.100 4.849 4.604 5.133 0.033 14 0 "[ . 1 . 2]" 1
280 1 24 ALA H 1 31 PRO QG 1.800 . 4.700 4.629 4.320 4.749 0.049 10 0 "[ . 1 . 2]" 1
281 1 24 ALA HA 1 25 TRP HA 1.800 . 5.000 4.760 4.436 4.962 . 0 0 "[ . 1 . 2]" 1
282 1 24 ALA HA 1 25 TRP HD1 1.800 . 4.500 4.283 3.958 4.527 0.027 11 0 "[ . 1 . 2]" 1
283 1 24 ALA HA 1 26 ILE H 1.800 . 5.100 3.483 3.257 3.562 . 0 0 "[ . 1 . 2]" 1
284 1 24 ALA HA 1 31 PRO QG 1.800 . 5.200 2.963 2.465 3.345 . 0 0 "[ . 1 . 2]" 1
285 1 24 ALA MB 1 25 TRP H 1.800 . 3.700 3.136 2.760 3.685 . 0 0 "[ . 1 . 2]" 1
286 1 24 ALA MB 1 25 TRP HD1 1.800 . 4.200 3.928 3.772 4.054 . 0 0 "[ . 1 . 2]" 1
287 1 24 ALA MB 1 26 ILE H 1.800 . 4.600 4.383 4.240 4.722 0.122 13 0 "[ . 1 . 2]" 1
288 1 25 TRP H 1 25 TRP HB2 1.800 . 3.900 3.604 3.545 3.711 . 0 0 "[ . 1 . 2]" 1
289 1 25 TRP H 1 25 TRP HB3 1.800 . 3.900 2.747 2.473 3.244 . 0 0 "[ . 1 . 2]" 1
290 1 25 TRP H 1 25 TRP HE1 1.800 . 4.600 3.931 3.743 4.071 . 0 0 "[ . 1 . 2]" 1
291 1 25 TRP H 1 26 ILE H 1.800 . 3.300 2.433 1.762 2.863 0.038 1 0 "[ . 1 . 2]" 1
292 1 25 TRP H 1 26 ILE MD 1.800 . 4.800 3.891 2.438 4.636 . 0 0 "[ . 1 . 2]" 1
293 1 25 TRP H 1 26 ILE MG 1.800 . 4.300 4.279 3.805 4.411 0.111 20 0 "[ . 1 . 2]" 1
294 1 25 TRP H 1 31 PRO QD 1.800 . 5.200 4.842 3.730 5.235 0.035 4 0 "[ . 1 . 2]" 1
295 1 25 TRP H 1 31 PRO QG 1.800 . 5.300 5.116 4.307 5.356 0.056 12 0 "[ . 1 . 2]" 1
296 1 25 TRP HA 1 25 TRP HD1 1.800 . 4.100 4.005 3.916 4.108 0.008 11 0 "[ . 1 . 2]" 1
297 1 25 TRP QB 1 25 TRP HE1 1.800 . 4.300 4.459 4.437 4.490 0.190 12 0 "[ . 1 . 2]" 1
298 1 25 TRP QB 1 26 ILE H 1.800 . 3.900 3.640 3.494 3.774 . 0 0 "[ . 1 . 2]" 1
299 1 25 TRP HB2 1 26 ILE H 1.800 . 4.600 3.993 3.765 4.181 . 0 0 "[ . 1 . 2]" 1
300 1 25 TRP HB3 1 26 ILE H 1.800 . 4.600 4.203 4.120 4.297 . 0 0 "[ . 1 . 2]" 1
301 1 25 TRP HE1 1 26 ILE H 1.800 . 5.500 4.417 4.067 4.723 . 0 0 "[ . 1 . 2]" 1
302 1 25 TRP HE1 1 26 ILE MD 1.800 . 4.200 2.383 2.032 2.697 . 0 0 "[ . 1 . 2]" 1
303 1 25 TRP HE1 1 26 ILE QG 1.800 . 4.800 3.771 2.581 4.479 . 0 0 "[ . 1 . 2]" 1
304 1 25 TRP HE3 1 26 ILE HA 1.800 . 5.500 4.801 4.522 5.446 . 0 0 "[ . 1 . 2]" 1
305 1 25 TRP HH2 1 26 ILE MD 1.800 . 4.900 3.635 3.339 4.007 . 0 0 "[ . 1 . 2]" 1
306 1 25 TRP HZ2 1 26 ILE MD 1.800 . 4.500 2.636 2.351 2.960 . 0 0 "[ . 1 . 2]" 1
307 1 25 TRP HZ2 1 26 ILE MG 1.800 . 3.700 3.589 3.311 3.739 0.039 19 0 "[ . 1 . 2]" 1
308 1 26 ILE H 1 26 ILE HB 1.800 . 3.600 3.674 3.631 3.701 0.101 5 0 "[ . 1 . 2]" 1
309 1 26 ILE H 1 26 ILE MD 1.800 . 3.800 2.967 1.948 3.657 . 0 0 "[ . 1 . 2]" 1
310 1 26 ILE H 1 26 ILE QG 1.800 . 5.400 1.927 1.757 2.445 0.043 14 0 "[ . 1 . 2]" 1
311 1 26 ILE H 1 26 ILE MG 1.800 . 3.600 2.909 2.526 3.271 . 0 0 "[ . 1 . 2]" 1
312 1 26 ILE H 1 27 PRO QD 1.800 . 5.000 4.102 2.702 4.407 . 0 0 "[ . 1 . 2]" 1
313 1 26 ILE H 1 28 TYR H 1.800 . 5.500 5.372 4.575 5.529 0.029 6 0 "[ . 1 . 2]" 1
314 1 26 ILE H 1 29 PHE QB 1.800 . 5.400 4.977 4.768 5.402 0.002 14 0 "[ . 1 . 2]" 1
315 1 26 ILE H 1 30 GLY H 1.800 . 5.000 4.740 4.360 5.021 0.021 14 0 "[ . 1 . 2]" 1
316 1 26 ILE H 1 31 PRO QD 1.800 . 5.000 3.664 3.332 3.900 . 0 0 "[ . 1 . 2]" 1
317 1 26 ILE HA 1 26 ILE MD 1.800 . 4.100 3.983 3.634 4.140 0.040 11 0 "[ . 1 . 2]" 1
318 1 26 ILE HA 1 26 ILE MG 1.800 . 3.400 2.278 2.175 2.394 . 0 0 "[ . 1 . 2]" 1
319 1 26 ILE HA 1 27 PRO QB 1.800 . 4.700 4.561 4.404 4.766 0.066 6 0 "[ . 1 . 2]" 1
320 1 26 ILE HA 1 29 PHE QD 1.800 . 4.700 4.018 3.096 4.714 0.014 14 0 "[ . 1 . 2]" 1
321 1 26 ILE HB 1 26 ILE MD 1.800 . 3.800 2.839 2.492 3.149 . 0 0 "[ . 1 . 2]" 1
322 1 26 ILE HB 1 27 PRO HD2 1.800 . 5.000 2.693 1.836 4.700 . 0 0 "[ . 1 . 2]" 1
323 1 26 ILE HB 1 27 PRO QD 1.800 . 4.300 2.578 1.829 4.288 . 0 0 "[ . 1 . 2]" 1
324 1 26 ILE HB 1 27 PRO HD3 1.800 . 5.000 3.541 2.425 5.001 0.001 10 0 "[ . 1 . 2]" 1
325 1 26 ILE HB 1 30 GLY H 1.800 . 4.600 3.238 2.006 3.915 . 0 0 "[ . 1 . 2]" 1
326 1 26 ILE HB 1 30 GLY QA 1.800 . 5.200 4.629 2.863 5.251 0.051 5 0 "[ . 1 . 2]" 1
327 1 26 ILE MD 1 27 PRO QD 1.800 . 5.200 4.577 4.239 5.200 . 0 0 "[ . 1 . 2]" 1
328 1 26 ILE MD 1 29 PHE QE 1.800 . 4.900 4.544 2.639 5.004 0.104 8 0 "[ . 1 . 2]" 1
329 1 26 ILE MD 1 30 GLY H 1.800 . 4.900 2.524 2.020 3.316 . 0 0 "[ . 1 . 2]" 1
330 1 26 ILE MD 1 32 ALA H 1.800 . 5.500 5.315 5.134 5.535 0.035 13 0 "[ . 1 . 2]" 1
331 1 26 ILE MG 1 27 PRO HD2 1.800 . 4.600 3.388 2.645 4.228 . 0 0 "[ . 1 . 2]" 1
332 1 26 ILE MG 1 27 PRO QD 1.800 . 3.800 3.080 2.589 3.827 0.027 11 0 "[ . 1 . 2]" 1
333 1 26 ILE MG 1 27 PRO HD3 1.800 . 4.600 3.635 2.982 4.506 . 0 0 "[ . 1 . 2]" 1
334 1 26 ILE MG 1 29 PHE H 1.800 . 5.000 3.786 3.531 4.022 . 0 0 "[ . 1 . 2]" 1
335 1 26 ILE MG 1 29 PHE QB 1.800 . 4.400 2.296 1.921 2.653 . 0 0 "[ . 1 . 2]" 1
336 1 26 ILE MG 1 29 PHE QE 1.800 . 3.900 3.150 2.467 3.758 . 0 0 "[ . 1 . 2]" 1
337 1 26 ILE MG 1 29 PHE HZ 1.800 . 4.600 4.596 4.365 4.680 0.080 14 0 "[ . 1 . 2]" 1
338 1 26 ILE MG 1 30 GLY H 1.800 . 4.100 4.038 3.730 4.158 0.058 2 0 "[ . 1 . 2]" 1
339 1 26 ILE MG 1 30 GLY QA 1.800 . 5.000 4.420 3.674 4.777 . 0 0 "[ . 1 . 2]" 1
340 1 26 ILE MG 1 31 PRO QD 1.800 . 5.000 4.371 4.113 4.565 . 0 0 "[ . 1 . 2]" 1
341 1 27 PRO HA 1 28 TYR QB 1.800 . 5.100 4.775 4.542 5.130 0.030 11 0 "[ . 1 . 2]" 1
342 1 27 PRO QB 1 28 TYR QD 1.800 . 4.000 2.722 1.994 3.249 . 0 0 "[ . 1 . 2]" 1
343 1 27 PRO QB 1 28 TYR QE 1.800 . 4.800 3.979 2.786 4.690 . 0 0 "[ . 1 . 2]" 1
344 1 27 PRO QB 1 29 PHE H 1.800 . 5.400 4.749 3.843 5.191 . 0 0 "[ . 1 . 2]" 1
345 1 27 PRO HB2 1 28 TYR QD 1.800 . 4.600 2.760 2.002 3.321 . 0 0 "[ . 1 . 2]" 1
346 1 27 PRO HB3 1 28 TYR QD 1.800 . 4.600 4.252 3.134 4.612 0.012 9 0 "[ . 1 . 2]" 1
347 1 27 PRO QD 1 28 TYR H 1.800 . 5.000 2.556 2.041 3.312 . 0 0 "[ . 1 . 2]" 1
348 1 27 PRO QD 1 28 TYR QD 1.800 . 4.800 4.142 3.448 4.818 0.018 16 0 "[ . 1 . 2]" 1
349 1 27 PRO QG 1 28 TYR QD 1.800 . 4.500 3.010 1.962 4.406 . 0 0 "[ . 1 . 2]" 1
350 1 27 PRO QG 1 28 TYR QE 1.800 . 4.700 3.331 2.243 4.710 0.010 10 0 "[ . 1 . 2]" 1
351 1 27 PRO QG 1 29 PHE H 1.800 . 5.500 4.329 3.216 5.358 . 0 0 "[ . 1 . 2]" 1
352 1 28 TYR H 1 28 TYR QD 1.800 . 4.100 3.308 3.014 3.631 . 0 0 "[ . 1 . 2]" 1
353 1 28 TYR H 1 28 TYR QE 1.800 . 4.800 4.478 4.162 4.823 0.023 14 0 "[ . 1 . 2]" 1
354 1 28 TYR H 1 29 PHE H 1.800 . 4.700 1.884 1.750 2.245 0.050 16 0 "[ . 1 . 2]" 1
355 1 28 TYR HA 1 28 TYR QD 1.800 . 3.800 3.717 3.695 3.735 . 0 0 "[ . 1 . 2]" 1
356 1 28 TYR QB 1 29 PHE H 1.800 . 5.100 3.849 3.390 3.965 . 0 0 "[ . 1 . 2]" 1
357 1 28 TYR QD 1 29 PHE H 1.800 . 4.900 3.460 2.363 3.945 . 0 0 "[ . 1 . 2]" 1
358 1 28 TYR QD 1 29 PHE HA 1.800 . 4.100 3.047 2.576 3.401 . 0 0 "[ . 1 . 2]" 1
359 1 28 TYR QD 1 29 PHE QD 1.800 . 4.300 3.542 2.409 4.361 0.061 14 0 "[ . 1 . 2]" 1
360 1 28 TYR QD 1 30 GLY H 1.800 . 5.300 5.135 4.441 5.323 0.023 9 0 "[ . 1 . 2]" 1
361 1 28 TYR QE 1 29 PHE QD 1.800 . 4.400 3.565 2.846 4.157 . 0 0 "[ . 1 . 2]" 1
362 1 29 PHE H 1 29 PHE QB 1.800 . 3.700 2.508 2.103 2.746 . 0 0 "[ . 1 . 2]" 1
363 1 29 PHE H 1 29 PHE QD 1.800 . 4.700 2.539 1.792 4.083 0.008 4 0 "[ . 1 . 2]" 1
364 1 29 PHE H 1 30 GLY H 1.800 . 3.700 2.431 1.950 2.772 . 0 0 "[ . 1 . 2]" 1
365 1 29 PHE H 1 31 PRO QD 1.800 . 5.400 3.321 2.943 3.827 . 0 0 "[ . 1 . 2]" 1
366 1 29 PHE H 1 33 ALA MB 1.800 . 5.500 5.055 4.439 5.522 0.022 2 0 "[ . 1 . 2]" 1
367 1 29 PHE HA 1 29 PHE QD 1.800 . 3.900 2.907 2.282 3.227 . 0 0 "[ . 1 . 2]" 1
368 1 29 PHE HA 1 32 ALA MB 1.800 . 4.300 4.302 4.038 4.379 0.079 20 0 "[ . 1 . 2]" 1
369 1 29 PHE HB2 1 30 GLY H 1.800 . 4.100 3.081 2.516 4.243 0.143 14 0 "[ . 1 . 2]" 1
370 1 29 PHE HB2 1 33 ALA MB 1.800 . 5.000 4.924 4.634 5.047 0.047 14 0 "[ . 1 . 2]" 1
371 1 29 PHE HB3 1 30 GLY H 1.800 . 4.100 3.712 3.021 4.147 0.047 13 0 "[ . 1 . 2]" 1
372 1 29 PHE HB3 1 33 ALA MB 1.800 . 5.000 4.609 4.173 4.981 . 0 0 "[ . 1 . 2]" 1
373 1 29 PHE QD 1 30 GLY H 1.800 . 4.600 3.928 3.261 4.305 . 0 0 "[ . 1 . 2]" 1
374 1 30 GLY H 1 31 PRO QB 1.800 . 5.100 4.527 4.432 4.756 . 0 0 "[ . 1 . 2]" 1
375 1 30 GLY H 1 31 PRO QD 1.800 . 3.500 1.964 1.819 2.491 . 0 0 "[ . 1 . 2]" 1
376 1 30 GLY H 1 31 PRO QG 1.800 . 4.500 3.954 3.803 4.435 . 0 0 "[ . 1 . 2]" 1
377 1 30 GLY H 1 33 ALA MB 1.800 . 4.600 3.747 3.416 3.958 . 0 0 "[ . 1 . 2]" 1
378 1 30 GLY QA 1 31 PRO QG 1.800 . 4.600 3.921 3.740 4.027 . 0 0 "[ . 1 . 2]" 1
379 1 30 GLY QA 1 33 ALA H 1.800 . 5.000 3.269 3.127 3.459 . 0 0 "[ . 1 . 2]" 1
380 1 30 GLY QA 1 33 ALA MB 1.800 . 4.200 2.032 1.856 2.355 . 0 0 "[ . 1 . 2]" 1
381 1 31 PRO HA 1 32 ALA MB 1.800 . 5.050 4.988 4.941 5.034 . 0 0 "[ . 1 . 2]" 1
382 1 31 PRO HB2 1 32 ALA H 1.800 . 4.400 2.573 2.371 2.872 . 0 0 "[ . 1 . 2]" 1
383 1 31 PRO HB3 1 32 ALA H 1.800 . 4.400 3.935 3.799 4.129 . 0 0 "[ . 1 . 2]" 1
384 1 31 PRO QD 1 32 ALA H 1.800 . 3.900 2.720 2.339 3.129 . 0 0 "[ . 1 . 2]" 1
385 1 31 PRO QD 1 32 ALA MB 1.800 . 4.900 4.057 3.677 4.431 . 0 0 "[ . 1 . 2]" 1
386 1 31 PRO QG 1 32 ALA H 1.800 . 3.700 3.726 3.647 3.752 0.052 1 0 "[ . 1 . 2]" 1
387 1 32 ALA H 1 32 ALA MB 1.800 . 3.000 2.269 2.152 2.328 . 0 0 "[ . 1 . 2]" 1
388 1 33 ALA H 1 33 ALA MB 1.800 . 3.000 2.063 2.005 2.164 . 0 0 "[ . 1 . 2]" 1
389 1 33 ALA HA 1 34 GLU QB 1.800 . 5.200 4.408 4.279 4.518 . 0 0 "[ . 1 . 2]" 1
390 1 33 ALA HA 1 34 GLU QG 1.800 . 5.300 3.655 2.993 4.069 . 0 0 "[ . 1 . 2]" 1
391 1 33 ALA HA 1 36 ILE H 1.800 . 5.100 4.783 4.553 4.956 . 0 0 "[ . 1 . 2]" 1
392 1 33 ALA HA 1 36 ILE HB 1.800 . 4.600 4.569 4.301 4.660 0.060 20 0 "[ . 1 . 2]" 1
393 1 33 ALA HA 1 36 ILE MD 1.800 . 4.000 2.342 1.899 2.782 . 0 0 "[ . 1 . 2]" 1
394 1 33 ALA MB 1 34 GLU H 1.800 . 3.200 2.479 1.910 3.203 0.003 13 0 "[ . 1 . 2]" 1
395 1 33 ALA MB 1 34 GLU HA 1.800 . 4.800 3.875 3.752 4.093 . 0 0 "[ . 1 . 2]" 1
396 1 33 ALA MB 1 35 GLY H 1.800 . 4.100 3.648 3.279 4.110 0.010 19 0 "[ . 1 . 2]" 1
397 1 33 ALA MB 1 37 TYR QD 1.800 . 4.500 2.466 2.037 2.982 . 0 0 "[ . 1 . 2]" 1
398 1 34 GLU H 1 34 GLU QB 1.800 . 3.300 3.036 2.656 3.432 0.132 3 0 "[ . 1 . 2]" 1
399 1 34 GLU H 1 34 GLU QG 1.800 . 3.800 2.880 2.438 3.219 . 0 0 "[ . 1 . 2]" 1
400 1 34 GLU H 1 35 GLY QA 1.800 . 5.230 4.240 3.788 5.003 . 0 0 "[ . 1 . 2]" 1
401 1 34 GLU H 1 36 ILE MD 1.800 . 4.400 2.424 1.868 3.358 . 0 0 "[ . 1 . 2]" 1
402 1 34 GLU HA 1 34 GLU QG 1.800 . 3.800 2.529 2.350 3.275 . 0 0 "[ . 1 . 2]" 1
403 1 34 GLU HA 1 35 GLY H 1.800 . 3.530 3.522 3.425 3.575 0.045 16 0 "[ . 1 . 2]" 1
404 1 34 GLU HA 1 36 ILE H 1.800 . 5.300 4.035 3.930 4.155 . 0 0 "[ . 1 . 2]" 1
405 1 34 GLU HA 1 36 ILE MD 1.800 . 4.300 4.118 3.902 4.300 . 0 0 "[ . 1 . 2]" 1
406 1 34 GLU HA 1 37 TYR QB 1.800 . 4.900 4.863 4.716 4.915 0.015 17 0 "[ . 1 . 2]" 1
407 1 34 GLU HA 1 38 ILE QG 1.800 . 5.000 4.444 4.055 4.692 . 0 0 "[ . 1 . 2]" 1
408 1 34 GLU QB 1 35 GLY H 1.800 . 3.600 2.616 2.192 3.190 . 0 0 "[ . 1 . 2]" 1
409 1 34 GLU QG 1 35 GLY H 1.800 . 4.100 3.809 2.126 4.085 . 0 0 "[ . 1 . 2]" 1
410 1 34 GLU QG 1 36 ILE MD 1.800 . 4.200 4.130 3.008 4.220 0.020 13 0 "[ . 1 . 2]" 1
411 1 34 GLU QG 1 37 TYR QD 1.800 . 4.300 4.243 4.066 4.354 0.054 2 0 "[ . 1 . 2]" 1
412 1 35 GLY H 1 36 ILE H 1.800 . 3.200 2.687 2.524 2.812 . 0 0 "[ . 1 . 2]" 1
413 1 35 GLY H 1 36 ILE MD 1.800 . 4.200 1.871 1.791 1.978 0.009 18 0 "[ . 1 . 2]" 1
414 1 35 GLY H 1 36 ILE QG 1.800 . 4.900 3.543 3.321 3.695 . 0 0 "[ . 1 . 2]" 1
415 1 35 GLY H 1 37 TYR QB 1.800 . 5.400 5.441 5.414 5.472 0.072 10 0 "[ . 1 . 2]" 1
416 1 35 GLY H 1 37 TYR QD 1.800 . 5.500 4.209 4.139 4.298 . 0 0 "[ . 1 . 2]" 1
417 1 35 GLY QA 1 36 ILE H 1.800 . 3.300 2.779 2.709 2.847 . 0 0 "[ . 1 . 2]" 1
418 1 35 GLY QA 1 38 ILE QG 1.800 . 4.200 2.825 2.501 3.093 . 0 0 "[ . 1 . 2]" 1
419 1 36 ILE H 1 36 ILE HB 1.800 . 3.100 3.129 3.105 3.176 0.076 14 0 "[ . 1 . 2]" 1
420 1 36 ILE H 1 36 ILE MD 1.800 . 3.200 2.013 1.862 2.110 . 0 0 "[ . 1 . 2]" 1
421 1 36 ILE H 1 36 ILE HG12 1.800 . 4.330 4.269 4.134 4.338 0.008 17 0 "[ . 1 . 2]" 1
422 1 36 ILE H 1 36 ILE HG13 1.800 . 4.150 3.318 3.128 3.452 . 0 0 "[ . 1 . 2]" 1
423 1 36 ILE H 1 37 TYR H 1.800 . 3.800 1.708 1.682 1.733 0.118 5 0 "[ . 1 . 2]" 1
424 1 36 ILE H 1 37 TYR HA 1.800 . 4.900 4.389 4.341 4.442 . 0 0 "[ . 1 . 2]" 1
425 1 36 ILE H 1 37 TYR HB2 1.800 . 5.100 5.232 5.121 5.270 0.170 17 0 "[ . 1 . 2]" 1
426 1 36 ILE H 1 37 TYR HB3 1.800 . 5.100 3.868 3.655 3.960 . 0 0 "[ . 1 . 2]" 1
427 1 36 ILE H 1 37 TYR QD 1.800 . 4.700 3.102 3.014 3.228 . 0 0 "[ . 1 . 2]" 1
428 1 36 ILE H 1 37 TYR QE 1.800 . 5.500 5.066 4.997 5.201 . 0 0 "[ . 1 . 2]" 1
429 1 36 ILE HA 1 36 ILE HG12 1.800 . 3.900 3.811 3.782 3.862 . 0 0 "[ . 1 . 2]" 1
430 1 36 ILE HA 1 36 ILE HG13 1.800 . 3.900 2.767 2.716 2.831 . 0 0 "[ . 1 . 2]" 1
431 1 36 ILE HA 1 37 TYR H 1.800 . 3.880 3.467 3.292 3.508 . 0 0 "[ . 1 . 2]" 1
432 1 36 ILE HA 1 38 ILE MD 1.800 . 3.200 2.742 2.550 3.066 . 0 0 "[ . 1 . 2]" 1
433 1 36 ILE HB 1 36 ILE MD 1.800 . 2.900 2.268 2.227 2.313 . 0 0 "[ . 1 . 2]" 1
434 1 36 ILE HB 1 37 TYR H 1.800 . 3.700 2.985 2.730 3.639 . 0 0 "[ . 1 . 2]" 1
435 1 36 ILE HB 1 37 TYR HA 1.800 . 5.100 4.160 4.063 4.384 . 0 0 "[ . 1 . 2]" 1
436 1 36 ILE MD 1 37 TYR H 1.800 . 3.500 2.722 2.560 3.133 . 0 0 "[ . 1 . 2]" 1
437 1 36 ILE MD 1 37 TYR HA 1.800 . 4.900 4.962 4.924 5.024 0.124 20 0 "[ . 1 . 2]" 1
438 1 36 ILE MD 1 37 TYR QB 1.800 . 4.900 3.641 3.541 3.703 . 0 0 "[ . 1 . 2]" 1
439 1 36 ILE MD 1 37 TYR QD 1.800 . 3.500 3.542 3.512 3.588 0.088 16 0 "[ . 1 . 2]" 1
440 1 37 TYR H 1 37 TYR HB2 1.800 . 3.600 3.589 3.526 3.745 0.145 14 0 "[ . 1 . 2]" 1
441 1 37 TYR H 1 37 TYR HB3 1.800 . 3.600 2.389 2.273 2.676 . 0 0 "[ . 1 . 2]" 1
442 1 37 TYR H 1 37 TYR QD 1.800 . 3.700 2.287 2.195 2.450 . 0 0 "[ . 1 . 2]" 1
443 1 37 TYR H 1 37 TYR QE 1.800 . 4.500 4.550 4.514 4.577 0.077 12 0 "[ . 1 . 2]" 1
444 1 37 TYR H 1 38 ILE H 1.800 . 3.300 2.100 1.872 2.274 . 0 0 "[ . 1 . 2]" 1
445 1 37 TYR H 1 38 ILE QG 1.800 . 4.500 3.813 3.360 4.117 . 0 0 "[ . 1 . 2]" 1
446 1 37 TYR H 1 39 GLU QG 1.800 . 4.800 4.885 4.849 4.967 0.167 7 0 "[ . 1 . 2]" 1
447 1 37 TYR HA 1 37 TYR QD 1.800 . 3.750 3.662 3.638 3.679 . 0 0 "[ . 1 . 2]" 1
448 1 37 TYR HA 1 38 ILE HB 1.800 . 5.100 4.878 4.821 5.017 . 0 0 "[ . 1 . 2]" 1
449 1 37 TYR HA 1 39 GLU H 1.800 . 4.600 4.260 3.782 4.322 . 0 0 "[ . 1 . 2]" 1
450 1 37 TYR QB 1 38 ILE H 1.800 . 4.000 3.304 3.205 3.678 . 0 0 "[ . 1 . 2]" 1
451 1 37 TYR QB 1 39 GLU H 1.800 . 5.300 4.982 4.702 5.056 . 0 0 "[ . 1 . 2]" 1
452 1 37 TYR QB 1 39 GLU QG 1.800 . 4.700 3.251 3.127 3.899 . 0 0 "[ . 1 . 2]" 1
453 1 37 TYR HB2 1 38 ILE H 1.800 . 4.800 4.068 3.915 4.480 . 0 0 "[ . 1 . 2]" 1
454 1 37 TYR HB3 1 38 ILE H 1.800 . 4.800 3.495 3.402 3.909 . 0 0 "[ . 1 . 2]" 1
455 1 37 TYR QD 1 38 ILE H 1.800 . 4.500 2.123 1.913 2.828 . 0 0 "[ . 1 . 2]" 1
456 1 37 TYR QD 1 38 ILE HA 1.800 . 4.100 3.618 3.287 3.867 . 0 0 "[ . 1 . 2]" 1
457 1 37 TYR QD 1 38 ILE QG 1.800 . 4.300 4.201 3.908 4.340 0.040 7 0 "[ . 1 . 2]" 1
458 1 37 TYR QD 1 39 GLU H 1.800 . 4.800 4.797 4.689 4.846 0.046 12 0 "[ . 1 . 2]" 1
459 1 37 TYR QD 1 39 GLU QB 1.800 . 4.200 3.878 3.537 4.195 . 0 0 "[ . 1 . 2]" 1
460 1 37 TYR QD 1 39 GLU QG 1.800 . 5.300 2.295 2.024 2.938 . 0 0 "[ . 1 . 2]" 1
461 1 37 TYR QE 1 38 ILE H 1.800 . 5.500 3.559 3.407 4.478 . 0 0 "[ . 1 . 2]" 1
462 1 37 TYR QE 1 38 ILE HA 1.800 . 4.000 3.553 3.366 3.939 . 0 0 "[ . 1 . 2]" 1
463 1 37 TYR QE 1 39 GLU H 1.800 . 5.500 5.533 5.511 5.555 0.055 5 0 "[ . 1 . 2]" 1
464 1 37 TYR QE 1 39 GLU QB 1.800 . 3.800 3.608 3.406 3.885 0.085 7 0 "[ . 1 . 2]" 1
465 1 37 TYR QE 1 39 GLU QG 1.800 . 4.300 2.975 2.259 3.308 . 0 0 "[ . 1 . 2]" 1
466 1 38 ILE H 1 38 ILE HB 1.800 . 3.500 3.522 3.311 3.581 0.081 9 0 "[ . 1 . 2]" 1
467 1 38 ILE H 1 38 ILE MD 1.800 . 3.300 2.129 1.902 2.413 . 0 0 "[ . 1 . 2]" 1
468 1 38 ILE H 1 38 ILE HG12 1.800 . 4.100 3.982 3.545 4.084 . 0 0 "[ . 1 . 2]" 1
469 1 38 ILE H 1 38 ILE QG 1.800 . 3.500 2.612 2.092 2.863 . 0 0 "[ . 1 . 2]" 1
470 1 38 ILE H 1 38 ILE HG13 1.800 . 4.100 2.651 2.107 2.931 . 0 0 "[ . 1 . 2]" 1
471 1 38 ILE H 1 39 GLU H 1.800 . 3.800 3.859 3.531 3.893 0.093 20 0 "[ . 1 . 2]" 1
472 1 38 ILE H 1 39 GLU QG 1.800 . 4.200 3.868 3.679 4.223 0.023 7 0 "[ . 1 . 2]" 1
473 1 38 ILE HA 1 38 ILE MD 1.800 . 3.600 3.305 3.115 3.507 . 0 0 "[ . 1 . 2]" 1
474 1 38 ILE HA 1 39 GLU H 1.800 . 3.600 3.534 3.527 3.562 . 0 0 "[ . 1 . 2]" 1
475 1 38 ILE HA 1 39 GLU QG 1.800 . 5.300 3.958 3.501 4.246 . 0 0 "[ . 1 . 2]" 1
476 1 38 ILE HB 1 39 GLU QG 1.800 . 5.400 4.155 3.968 4.504 . 0 0 "[ . 1 . 2]" 1
477 1 38 ILE MD 1 39 GLU H 1.800 . 4.090 3.123 2.989 3.269 . 0 0 "[ . 1 . 2]" 1
478 1 38 ILE QG 1 39 GLU H 1.800 . 4.300 3.946 3.890 4.119 . 0 0 "[ . 1 . 2]" 1
479 1 38 ILE QG 1 41 LEU H 1.800 . 5.400 5.184 4.757 5.439 0.039 16 0 "[ . 1 . 2]" 1
480 1 38 ILE QG 1 42 MET QG 1.800 . 5.000 5.053 5.009 5.099 0.099 5 0 "[ . 1 . 2]" 1
481 1 38 ILE HG12 1 39 GLU H 1.800 . 5.000 4.399 4.301 4.783 . 0 0 "[ . 1 . 2]" 1
482 1 38 ILE HG13 1 39 GLU H 1.800 . 5.000 4.468 4.321 4.551 . 0 0 "[ . 1 . 2]" 1
483 1 39 GLU H 1 39 GLU QB 1.800 . 3.400 3.393 2.984 3.463 0.063 17 0 "[ . 1 . 2]" 1
484 1 39 GLU H 1 39 GLU QG 1.800 . 3.800 2.721 2.501 3.097 . 0 0 "[ . 1 . 2]" 1
485 1 39 GLU H 1 40 GLY H 1.800 . 4.100 2.913 2.488 3.414 . 0 0 "[ . 1 . 2]" 1
486 1 39 GLU H 1 41 LEU H 1.800 . 5.100 3.823 3.641 4.312 . 0 0 "[ . 1 . 2]" 1
487 1 39 GLU HA 1 39 GLU QG 1.800 . 3.700 2.551 2.337 3.323 . 0 0 "[ . 1 . 2]" 1
488 1 39 GLU HA 1 40 GLY H 1.800 . 3.600 2.543 2.171 2.919 . 0 0 "[ . 1 . 2]" 1
489 1 39 GLU HA 1 41 LEU H 1.800 . 4.100 3.799 3.672 4.027 . 0 0 "[ . 1 . 2]" 1
490 1 39 GLU HA 1 41 LEU QD 1.800 . 4.400 4.082 3.707 4.382 . 0 0 "[ . 1 . 2]" 1
491 1 39 GLU HA 1 42 MET QG 1.800 . 5.500 2.720 2.320 3.692 . 0 0 "[ . 1 . 2]" 1
492 1 39 GLU QB 1 40 GLY H 1.800 . 3.800 3.772 3.654 3.843 0.043 7 0 "[ . 1 . 2]" 1
493 1 39 GLU QB 1 41 LEU H 1.800 . 5.400 5.155 5.081 5.400 0.000 7 0 "[ . 1 . 2]" 1
494 1 39 GLU QG 1 40 GLY H 1.800 . 4.400 4.367 4.245 4.427 0.027 2 0 "[ . 1 . 2]" 1
495 1 39 GLU QG 1 41 LEU H 1.800 . 5.500 5.605 5.542 5.667 0.167 20 0 "[ . 1 . 2]" 1
496 1 40 GLY H 1 41 LEU H 1.800 . 3.700 1.831 1.787 1.925 0.013 3 0 "[ . 1 . 2]" 1
497 1 40 GLY H 1 41 LEU QB 1.800 . 4.900 4.256 3.917 4.503 . 0 0 "[ . 1 . 2]" 1
498 1 40 GLY H 1 41 LEU QD 1.800 . 4.000 2.716 2.291 3.045 . 0 0 "[ . 1 . 2]" 1
499 1 40 GLY H 1 43 HIS HD2 1.800 . 5.500 5.155 4.392 5.513 0.013 3 0 "[ . 1 . 2]" 1
500 1 40 GLY QA 1 41 LEU H 1.800 . 3.600 2.915 2.840 2.946 . 0 0 "[ . 1 . 2]" 1
501 1 40 GLY QA 1 42 MET H 1.800 . 4.700 4.170 3.979 4.351 . 0 0 "[ . 1 . 2]" 1
502 1 40 GLY QA 1 42 MET ME 1.800 . 4.400 2.779 2.589 3.130 . 0 0 "[ . 1 . 2]" 1
503 1 41 LEU H 1 41 LEU QB 1.800 . 3.100 2.930 2.797 3.105 0.005 19 0 "[ . 1 . 2]" 1
504 1 41 LEU H 1 41 LEU QD 1.800 . 3.300 1.913 1.833 2.087 . 0 0 "[ . 1 . 2]" 1
505 1 41 LEU H 1 41 LEU HG 1.800 . 4.300 3.585 3.217 3.904 . 0 0 "[ . 1 . 2]" 1
506 1 41 LEU H 1 42 MET H 1.800 . 3.400 1.798 1.701 1.882 0.099 19 0 "[ . 1 . 2]" 1
507 1 41 LEU H 1 42 MET QB 1.800 . 4.400 4.303 4.182 4.430 0.030 12 0 "[ . 1 . 2]" 1
508 1 41 LEU H 1 42 MET QG 1.800 . 5.200 2.749 2.585 2.924 . 0 0 "[ . 1 . 2]" 1
509 1 41 LEU H 1 43 HIS HD2 1.800 . 5.500 4.513 3.806 5.335 . 0 0 "[ . 1 . 2]" 1
510 1 41 LEU HA 1 42 MET H 1.800 . 3.600 3.355 3.264 3.441 . 0 0 "[ . 1 . 2]" 1
511 1 41 LEU HA 1 43 HIS HE1 1.800 . 4.800 2.480 2.288 2.827 . 0 0 "[ . 1 . 2]" 1
512 1 41 LEU QB 1 41 LEU QD 1.800 . 2.600 1.912 1.845 1.936 . 0 0 "[ . 1 . 2]" 1
513 1 41 LEU QB 1 42 MET H 1.800 . 3.700 3.760 3.659 3.819 0.119 5 0 "[ . 1 . 2]" 1
514 1 41 LEU QB 1 45 GLN HE21 1.800 . 5.500 5.415 4.835 5.530 0.030 11 0 "[ . 1 . 2]" 1
515 1 41 LEU QB 1 45 GLN HE22 1.800 . 5.500 4.970 4.632 5.507 0.007 6 0 "[ . 1 . 2]" 1
516 1 41 LEU QD 1 42 MET H 1.800 . 3.700 2.248 1.912 2.811 . 0 0 "[ . 1 . 2]" 1
517 1 41 LEU QD 1 42 MET ME 1.800 . 3.300 3.260 3.066 3.356 0.056 12 0 "[ . 1 . 2]" 1
518 1 41 LEU QD 1 42 MET HG2 1.800 . 4.600 3.865 3.266 4.466 . 0 0 "[ . 1 . 2]" 1
519 1 41 LEU QD 1 42 MET HG3 1.800 . 4.600 2.577 1.945 3.131 . 0 0 "[ . 1 . 2]" 1
520 1 41 LEU QD 1 43 HIS HE1 1.800 . 5.100 5.031 4.891 5.136 0.036 3 0 "[ . 1 . 2]" 1
521 1 41 LEU QD 1 45 GLN QB 1.800 . 5.000 4.951 4.395 5.033 0.033 16 0 "[ . 1 . 2]" 1
522 1 41 LEU QD 1 45 GLN QE 1.800 . 4.500 3.687 3.263 3.995 . 0 0 "[ . 1 . 2]" 1
523 1 41 LEU QD 1 45 GLN QG 1.800 . 4.300 4.133 3.792 4.310 0.010 1 0 "[ . 1 . 2]" 1
524 1 41 LEU HG 1 42 MET HA 1.800 . 3.300 3.304 3.248 3.346 0.046 4 0 "[ . 1 . 2]" 1
525 1 42 MET H 1 42 MET QB 1.800 . 3.500 2.860 2.724 3.018 . 0 0 "[ . 1 . 2]" 1
526 1 42 MET H 1 42 MET ME 1.800 . 4.400 1.910 1.807 2.184 . 0 0 "[ . 1 . 2]" 1
527 1 42 MET H 1 42 MET HG2 1.800 . 4.700 3.390 3.353 3.476 . 0 0 "[ . 1 . 2]" 1
528 1 42 MET H 1 42 MET QG 1.800 . 3.800 1.790 1.736 1.900 0.064 18 0 "[ . 1 . 2]" 1
529 1 42 MET H 1 42 MET HG3 1.800 . 4.700 1.797 1.742 1.908 0.058 18 0 "[ . 1 . 2]" 1
530 1 42 MET H 1 43 HIS QB 1.800 . 5.400 5.455 5.419 5.518 0.118 12 0 "[ . 1 . 2]" 1
531 1 42 MET H 1 43 HIS HD2 1.800 . 5.400 3.490 3.143 4.152 . 0 0 "[ . 1 . 2]" 1
532 1 42 MET HA 1 43 HIS HD2 1.800 . 4.900 4.333 4.109 4.675 . 0 0 "[ . 1 . 2]" 1
533 1 42 MET HA 1 45 GLN QE 1.800 . 4.400 4.415 4.129 4.478 0.078 18 0 "[ . 1 . 2]" 1
534 1 42 MET QB 1 43 HIS HD2 1.800 . 4.200 4.019 3.588 4.234 0.034 18 0 "[ . 1 . 2]" 1
535 1 42 MET ME 1 42 MET QG 1.800 . 3.600 2.165 1.967 2.578 . 0 0 "[ . 1 . 2]" 1
536 1 42 MET ME 1 43 HIS H 1.800 . 4.800 4.375 3.754 4.791 . 0 0 "[ . 1 . 2]" 1
537 1 42 MET ME 1 43 HIS HD2 1.800 . 4.700 2.203 1.852 3.433 . 0 0 "[ . 1 . 2]" 1
538 1 42 MET ME 1 43 HIS HE1 1.800 . 4.800 4.294 3.863 4.843 0.043 13 0 "[ . 1 . 2]" 1
539 1 43 HIS H 1 43 HIS HD2 1.800 . 4.800 3.517 3.236 4.151 . 0 0 "[ . 1 . 2]" 1
540 1 43 HIS H 1 45 GLN HE21 1.800 . 5.500 4.716 4.406 5.417 . 0 0 "[ . 1 . 2]" 1
541 1 43 HIS H 1 45 GLN QE 1.800 . 4.800 4.274 4.013 4.520 . 0 0 "[ . 1 . 2]" 1
542 1 43 HIS H 1 45 GLN HE22 1.800 . 5.500 5.004 4.374 5.516 0.016 15 0 "[ . 1 . 2]" 1
543 1 43 HIS HD2 1 44 ASN H 1.800 . 5.100 5.043 4.652 5.140 0.040 13 0 "[ . 1 . 2]" 1
544 1 43 HIS HE1 1 45 GLN QG 1.800 . 5.100 5.003 3.100 5.139 0.039 13 0 "[ . 1 . 2]" 1
545 1 44 ASN QB 1 45 GLN H 1.800 . 4.800 3.428 2.039 3.967 . 0 0 "[ . 1 . 2]" 1
546 1 44 ASN QB 1 45 GLN QE 1.800 . 5.200 5.234 5.201 5.271 0.071 3 0 "[ . 1 . 2]" 1
547 1 45 GLN H 1 45 GLN QG 1.800 . 4.800 2.138 1.888 2.748 . 0 0 "[ . 1 . 2]" 1
548 1 45 GLN H 1 46 ASP QB 1.800 . 4.900 4.225 3.510 4.868 . 0 0 "[ . 1 . 2]" 1
549 1 45 GLN HA 1 45 GLN QE 1.800 . 4.800 4.031 3.479 4.662 . 0 0 "[ . 1 . 2]" 1
550 1 45 GLN HA 1 45 GLN QG 1.800 . 3.700 3.002 2.687 3.238 . 0 0 "[ . 1 . 2]" 1
551 1 45 GLN HA 1 46 ASP H 1.800 . 3.400 3.336 2.470 3.518 0.118 4 0 "[ . 1 . 2]" 1
552 1 45 GLN HA 1 46 ASP QB 1.800 . 4.700 4.251 3.889 4.420 . 0 0 "[ . 1 . 2]" 1
553 1 45 GLN HA 1 47 GLY H 1.800 . 4.300 3.798 3.581 4.166 . 0 0 "[ . 1 . 2]" 1
554 1 45 GLN QB 1 45 GLN QE 1.800 . 4.000 2.442 1.769 3.137 0.031 12 0 "[ . 1 . 2]" 1
555 1 45 GLN QB 1 46 ASP H 1.800 . 3.800 1.936 1.790 2.349 0.010 16 0 "[ . 1 . 2]" 1
556 1 45 GLN QB 1 47 GLY H 1.800 . 4.800 2.531 2.174 3.355 . 0 0 "[ . 1 . 2]" 1
557 1 45 GLN QB 1 48 LEU H 1.800 . 4.800 2.850 2.602 3.554 . 0 0 "[ . 1 . 2]" 1
558 1 45 GLN HB2 1 46 ASP H 1.800 . 4.300 1.962 1.797 2.516 0.003 16 0 "[ . 1 . 2]" 1
559 1 45 GLN HB3 1 46 ASP H 1.800 . 4.300 3.304 2.207 3.555 . 0 0 "[ . 1 . 2]" 1
560 1 45 GLN QE 1 45 GLN QG 1.800 . 3.000 2.453 2.127 2.667 . 0 0 "[ . 1 . 2]" 1
561 1 45 GLN QE 1 46 ASP QB 1.800 . 5.400 4.096 3.756 4.783 . 0 0 "[ . 1 . 2]" 1
562 1 45 GLN QE 1 49 ILE MG 1.800 . 4.100 3.589 2.672 4.136 0.036 18 0 "[ . 1 . 2]" 1
563 1 45 GLN QE 1 50 CYS QB 1.800 . 4.800 4.887 4.849 4.923 0.123 12 0 "[ . 1 . 2]" 1
564 1 45 GLN HE21 1 49 ILE MG 1.800 . 4.800 4.538 2.775 4.834 0.034 3 0 "[ . 1 . 2]" 1
565 1 45 GLN HE22 1 45 GLN QG 1.800 . 3.600 3.397 3.273 3.475 . 0 0 "[ . 1 . 2]" 1
566 1 45 GLN HE22 1 49 ILE MG 1.800 . 4.800 3.883 3.471 4.840 0.040 12 0 "[ . 1 . 2]" 1
567 1 45 GLN QG 1 46 ASP H 1.800 . 4.200 3.483 2.645 4.264 0.064 1 0 "[ . 1 . 2]" 1
568 1 45 GLN QG 1 47 GLY H 1.800 . 5.400 4.671 4.356 5.447 0.047 3 0 "[ . 1 . 2]" 1
569 1 46 ASP H 1 46 ASP QB 1.800 . 3.300 3.065 2.925 3.331 0.031 9 0 "[ . 1 . 2]" 1
570 1 46 ASP H 1 48 LEU HG 1.800 . 4.100 3.675 2.902 4.071 . 0 0 "[ . 1 . 2]" 1
571 1 46 ASP HA 1 47 GLY H 1.800 . 3.400 3.081 2.889 3.438 0.038 3 0 "[ . 1 . 2]" 1
572 1 46 ASP HA 1 47 GLY QA 1.800 . 4.400 4.193 4.120 4.377 . 0 0 "[ . 1 . 2]" 1
573 1 46 ASP HA 1 48 LEU H 1.800 . 4.800 4.373 3.826 4.567 . 0 0 "[ . 1 . 2]" 1
574 1 46 ASP HA 1 49 ILE MG 1.800 . 4.900 4.932 4.775 5.018 0.118 12 0 "[ . 1 . 2]" 1
575 1 46 ASP QB 1 47 GLY H 1.800 . 3.900 3.676 3.596 3.816 . 0 0 "[ . 1 . 2]" 1
576 1 46 ASP QB 1 48 LEU H 1.800 . 5.400 5.269 5.069 5.402 0.002 1 0 "[ . 1 . 2]" 1
577 1 47 GLY H 1 48 LEU QD 1.800 . 4.600 3.441 3.050 3.651 . 0 0 "[ . 1 . 2]" 1
578 1 47 GLY H 1 48 LEU HG 1.800 . 5.000 3.179 2.758 3.712 . 0 0 "[ . 1 . 2]" 1
579 1 47 GLY H 1 50 CYS HB2 1.800 . 5.400 5.172 4.041 5.443 0.043 3 0 "[ . 1 . 2]" 1
580 1 47 GLY H 1 50 CYS QB 1.800 . 4.700 4.501 3.937 4.714 0.014 8 0 "[ . 1 . 2]" 1
581 1 47 GLY H 1 50 CYS HB3 1.800 . 5.400 5.016 4.579 5.434 0.034 7 0 "[ . 1 . 2]" 1
582 1 47 GLY QA 1 48 LEU H 1.800 . 3.400 2.765 2.703 2.902 . 0 0 "[ . 1 . 2]" 1
583 1 47 GLY QA 1 48 LEU HG 1.800 . 4.500 4.478 4.314 4.529 0.029 16 0 "[ . 1 . 2]" 1
584 1 47 GLY QA 1 49 ILE H 1.800 . 4.600 3.462 3.363 3.706 . 0 0 "[ . 1 . 2]" 1
585 1 48 LEU H 1 48 LEU QB 1.800 . 4.100 2.692 2.599 3.052 . 0 0 "[ . 1 . 2]" 1
586 1 48 LEU H 1 48 LEU QD 1.800 . 3.700 2.668 2.279 2.934 . 0 0 "[ . 1 . 2]" 1
587 1 48 LEU H 1 48 LEU HG 1.800 . 3.400 1.976 1.879 2.078 . 0 0 "[ . 1 . 2]" 1
588 1 48 LEU HA 1 48 LEU HG 1.800 . 3.900 3.624 3.599 3.640 . 0 0 "[ . 1 . 2]" 1
589 1 48 LEU HA 1 49 ILE H 1.800 . 3.600 3.250 3.170 3.319 . 0 0 "[ . 1 . 2]" 1
590 1 48 LEU QB 1 49 ILE H 1.800 . 3.800 3.853 3.807 3.899 0.099 2 0 "[ . 1 . 2]" 1
591 1 48 LEU HG 1 49 ILE MG 1.800 . 2.900 2.880 2.666 2.948 0.048 9 0 "[ . 1 . 2]" 1
592 1 49 ILE H 1 49 ILE MD 1.800 . 3.800 1.910 1.793 3.247 0.007 6 0 "[ . 1 . 2]" 1
593 1 49 ILE H 1 49 ILE HG12 1.800 . 3.900 3.051 2.899 3.810 . 0 0 "[ . 1 . 2]" 1
594 1 49 ILE H 1 49 ILE QG 1.800 . 3.200 2.885 2.170 3.005 . 0 0 "[ . 1 . 2]" 1
595 1 49 ILE H 1 49 ILE HG13 1.800 . 3.900 3.861 2.182 3.978 0.078 20 0 "[ . 1 . 2]" 1
596 1 49 ILE H 1 49 ILE MG 1.800 . 3.400 3.188 3.096 3.287 . 0 0 "[ . 1 . 2]" 1
597 1 49 ILE H 1 50 CYS HA 1.800 . 4.400 4.436 4.314 4.465 0.065 3 0 "[ . 1 . 2]" 1
598 1 49 ILE H 1 50 CYS HB2 1.800 . 5.500 4.289 3.835 4.561 . 0 0 "[ . 1 . 2]" 1
599 1 49 ILE H 1 50 CYS QB 1.800 . 4.900 3.967 3.733 4.057 . 0 0 "[ . 1 . 2]" 1
600 1 49 ILE H 1 50 CYS HB3 1.800 . 5.500 4.720 4.443 5.128 . 0 0 "[ . 1 . 2]" 1
601 1 49 ILE H 1 54 GLN QG 1.800 . 5.000 4.553 3.939 5.155 0.155 20 0 "[ . 1 . 2]" 1
602 1 49 ILE HA 1 49 ILE MD 1.800 . 3.400 3.418 3.369 3.540 0.140 16 0 "[ . 1 . 2]" 1
603 1 49 ILE HA 1 50 CYS HA 1.800 . 5.000 4.558 4.509 4.628 . 0 0 "[ . 1 . 2]" 1
604 1 49 ILE HB 1 50 CYS H 1.800 . 4.300 3.605 3.510 3.868 . 0 0 "[ . 1 . 2]" 1
605 1 49 ILE QG 1 50 CYS H 1.800 . 5.400 1.958 1.858 2.404 . 0 0 "[ . 1 . 2]" 1
606 1 50 CYS H 1 50 CYS HB2 1.800 . 4.100 2.498 2.174 2.726 . 0 0 "[ . 1 . 2]" 1
607 1 50 CYS H 1 50 CYS HB3 1.800 . 4.100 2.982 2.720 3.448 . 0 0 "[ . 1 . 2]" 1
608 1 50 CYS HA 1 54 GLN QE 1.800 . 4.500 3.697 2.394 4.529 0.029 20 0 "[ . 1 . 2]" 1
609 1 50 CYS QB 1 54 GLN QE 1.800 . 5.200 5.032 4.238 5.245 0.045 12 0 "[ . 1 . 2]" 1
610 1 50 CYS HB2 1 51 GLY H 1.800 . 4.900 4.569 4.263 4.686 . 0 0 "[ . 1 . 2]" 1
611 1 50 CYS HB3 1 51 GLY H 1.800 . 4.900 4.192 3.461 4.373 . 0 0 "[ . 1 . 2]" 1
612 1 51 GLY H 1 52 LEU H 1.800 . 4.700 2.403 1.872 3.125 . 0 0 "[ . 1 . 2]" 1
613 1 51 GLY H 1 52 LEU QB 1.800 . 5.100 4.755 3.666 5.145 0.045 10 0 "[ . 1 . 2]" 1
614 1 51 GLY H 1 52 LEU QD 1.800 . 4.600 3.335 2.005 4.304 . 0 0 "[ . 1 . 2]" 1
615 1 51 GLY H 1 54 GLN QB 1.800 . 5.400 4.985 4.260 5.424 0.024 2 0 "[ . 1 . 2]" 1
616 1 51 GLY QA 1 52 LEU H 1.800 . 3.500 2.542 2.384 2.827 . 0 0 "[ . 1 . 2]" 1
617 1 51 GLY QA 1 52 LEU QB 1.800 . 4.800 4.097 3.818 4.793 . 0 0 "[ . 1 . 2]" 1
618 1 51 GLY QA 1 52 LEU QD 1.800 . 4.000 3.010 2.536 3.956 . 0 0 "[ . 1 . 2]" 1
619 1 51 GLY QA 1 53 ARG H 1.800 . 4.400 4.182 3.903 4.400 0.000 14 0 "[ . 1 . 2]" 1
620 1 51 GLY QA 1 54 GLN H 1.800 . 4.700 4.437 3.615 4.743 0.043 1 0 "[ . 1 . 2]" 1
621 1 52 LEU H 1 52 LEU QB 1.800 . 3.100 3.012 2.579 3.146 0.046 4 0 "[ . 1 . 2]" 1
622 1 52 LEU H 1 52 LEU QD 1.800 . 3.400 1.985 1.878 2.266 . 0 0 "[ . 1 . 2]" 1
623 1 52 LEU H 1 52 LEU HG 1.800 . 3.200 2.998 2.210 3.211 0.011 13 0 "[ . 1 . 2]" 1
624 1 52 LEU H 1 53 ARG QD 1.800 . 5.400 4.561 4.188 5.426 0.026 10 0 "[ . 1 . 2]" 1
625 1 52 LEU QB 1 52 LEU QD 1.800 . 3.100 1.852 1.756 1.908 0.044 20 0 "[ . 1 . 2]" 1
626 1 52 LEU QB 1 53 ARG H 1.800 . 3.400 3.310 2.802 3.408 0.008 19 0 "[ . 1 . 2]" 1
627 1 52 LEU QD 1 53 ARG H 1.800 . 3.900 2.271 1.927 2.978 . 0 0 "[ . 1 . 2]" 1
628 1 52 LEU QD 1 53 ARG QB 1.800 . 4.300 3.918 3.738 4.097 . 0 0 "[ . 1 . 2]" 1
629 1 52 LEU QD 1 53 ARG QD 1.800 . 4.300 2.140 1.789 2.963 0.011 7 0 "[ . 1 . 2]" 1
630 1 52 LEU QD 1 54 GLN H 1.800 . 4.400 3.133 2.612 3.856 . 0 0 "[ . 1 . 2]" 1
631 1 52 LEU QD 1 54 GLN HA 1.800 . 4.500 4.338 4.029 4.527 0.027 17 0 "[ . 1 . 2]" 1
632 1 52 LEU QD 1 54 GLN QE 1.800 . 4.800 2.742 1.851 4.245 . 0 0 "[ . 1 . 2]" 1
633 1 52 LEU HG 1 53 ARG QD 1.800 . 3.300 2.274 1.905 3.318 0.018 4 0 "[ . 1 . 2]" 1
634 1 53 ARG H 1 53 ARG QB 1.800 . 3.700 3.350 3.276 3.441 . 0 0 "[ . 1 . 2]" 1
635 1 53 ARG H 1 53 ARG QD 1.800 . 4.600 3.223 2.416 3.853 . 0 0 "[ . 1 . 2]" 1
636 1 53 ARG H 1 54 GLN QG 1.800 . 4.500 3.622 2.354 4.534 0.034 13 0 "[ . 1 . 2]" 1
637 1 53 ARG HA 1 53 ARG QD 1.800 . 4.200 3.910 3.656 4.007 . 0 0 "[ . 1 . 2]" 1
638 1 53 ARG HA 1 54 GLN H 1.800 . 2.700 2.810 2.788 2.854 0.154 20 0 "[ . 1 . 2]" 1
639 1 53 ARG HA 1 54 GLN QE 1.800 . 4.400 3.821 3.003 4.170 . 0 0 "[ . 1 . 2]" 1
640 1 53 ARG QB 1 53 ARG QD 1.800 . 3.600 2.169 1.933 2.430 . 0 0 "[ . 1 . 2]" 1
641 1 53 ARG QB 1 54 GLN QE 1.800 . 5.000 4.918 4.450 5.047 0.047 5 0 "[ . 1 . 2]" 1
642 1 53 ARG QD 1 54 GLN H 1.800 . 4.700 4.521 3.788 4.719 0.019 19 0 "[ . 1 . 2]" 1
643 1 53 ARG QD 1 54 GLN QB 1.800 . 5.000 4.940 4.189 5.051 0.051 7 0 "[ . 1 . 2]" 1
644 1 53 ARG QD 1 54 GLN QE 1.800 . 5.400 5.100 4.688 5.406 0.006 4 0 "[ . 1 . 2]" 1
645 1 53 ARG QG 1 54 GLN H 1.800 . 3.600 3.659 3.613 3.691 0.091 4 0 "[ . 1 . 2]" 1
646 1 53 ARG QG 1 54 GLN HA 1.800 . 4.700 3.891 3.613 4.551 . 0 0 "[ . 1 . 2]" 1
647 1 53 ARG QG 1 54 GLN QE 1.800 . 4.800 4.772 4.545 4.871 0.071 14 0 "[ . 1 . 2]" 1
648 1 54 GLN H 1 54 GLN HB2 1.800 . 3.700 3.661 3.516 3.738 0.038 18 0 "[ . 1 . 2]" 1
649 1 54 GLN H 1 54 GLN QB 1.800 . 2.900 2.727 2.441 3.005 0.105 16 0 "[ . 1 . 2]" 1
650 1 54 GLN H 1 54 GLN HB3 1.800 . 3.700 2.830 2.482 3.201 . 0 0 "[ . 1 . 2]" 1
651 1 54 GLN H 1 54 GLN QG 1.800 . 3.300 2.528 1.857 3.219 . 0 0 "[ . 1 . 2]" 1
652 1 54 GLN HA 1 54 GLN QG 1.800 . 3.800 3.407 3.334 3.527 . 0 0 "[ . 1 . 2]" 1
653 1 54 GLN QE 1 54 GLN QG 1.800 . 3.100 2.183 2.058 2.311 . 0 0 "[ . 1 . 2]" 1
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