NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
437288 |
2k2o   |
15718 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2k2o
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 221
_Distance_constraint_stats_list.Viol_count 206
_Distance_constraint_stats_list.Viol_total 438.375
_Distance_constraint_stats_list.Viol_max 0.274
_Distance_constraint_stats_list.Viol_rms 0.0261
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0050
_Distance_constraint_stats_list.Viol_average_violations_only 0.1064
_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 4 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 5 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 7 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 21 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 22 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 ARG 1.469 0.146 15 0 "[ . 1 . 2]"
1 24 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 29 TRP 3.027 0.167 12 0 "[ . 1 . 2]"
1 30 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 33 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 34 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 40 ASN 0.056 0.056 12 0 "[ . 1 . 2]"
1 42 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 43 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 46 SER 0.973 0.166 5 0 "[ . 1 . 2]"
1 48 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 49 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 50 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 51 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 56 TRP 0.000 0.000 . 0 "[ . 1 . 2]"
1 57 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 58 TRP 2.327 0.151 11 0 "[ . 1 . 2]"
1 59 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 60 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 61 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 63 TRP 0.000 0.000 . 0 "[ . 1 . 2]"
1 65 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 66 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 67 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 68 ASN 0.030 0.030 14 0 "[ . 1 . 2]"
1 69 ARG 0.452 0.154 20 0 "[ . 1 . 2]"
1 71 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 72 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 73 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 74 LYS 0.014 0.014 16 0 "[ . 1 . 2]"
1 76 TRP 0.000 0.000 . 0 "[ . 1 . 2]"
1 77 GLU 0.160 0.112 15 0 "[ . 1 . 2]"
1 80 ILE 0.154 0.114 8 0 "[ . 1 . 2]"
1 81 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 82 ILE 0.026 0.022 19 0 "[ . 1 . 2]"
1 86 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 87 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 89 LYS 0.103 0.068 7 0 "[ . 1 . 2]"
1 90 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 91 TRP 5.683 0.187 7 0 "[ . 1 . 2]"
1 92 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 95 GLU 0.625 0.204 4 0 "[ . 1 . 2]"
1 96 LYS 0.294 0.083 6 0 "[ . 1 . 2]"
1 97 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 98 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 99 HIS 2.307 0.274 6 0 "[ . 1 . 2]"
1 101 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 102 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 103 ARG 0.226 0.105 17 0 "[ . 1 . 2]"
1 104 ARG 0.634 0.084 15 0 "[ . 1 . 2]"
1 105 ARG 3.343 0.235 12 0 "[ . 1 . 2]"
1 106 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 107 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 108 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 109 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 110 ARG 0.015 0.015 5 0 "[ . 1 . 2]"
1 111 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 112 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 113 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 114 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 116 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 117 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 121 THR 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 1 109 LYS HA 1 109 LYS HD3 5.000 . 6.000 3.868 2.494 4.493 . 0 0 "[ . 1 . 2]" 1
2 1 109 LYS HA 1 109 LYS HD2 5.000 . 6.000 3.291 2.780 3.898 . 0 0 "[ . 1 . 2]" 1
3 1 111 LYS HA 1 111 LYS HD3 5.000 . 6.000 4.788 1.820 5.491 . 0 0 "[ . 1 . 2]" 1
4 1 111 LYS HA 1 111 LYS HD2 5.000 . 6.000 4.726 3.121 5.518 . 0 0 "[ . 1 . 2]" 1
5 1 30 LYS HA 1 30 LYS HD3 5.000 . 6.000 4.417 4.250 4.862 . 0 0 "[ . 1 . 2]" 1
6 1 30 LYS HA 1 30 LYS HD2 5.000 . 6.000 4.601 3.308 4.761 . 0 0 "[ . 1 . 2]" 1
7 1 69 ARG HA 1 69 ARG HD3 5.000 . 6.000 4.366 2.021 4.892 . 0 0 "[ . 1 . 2]" 1
8 1 69 ARG HA 1 69 ARG HD2 5.000 . 6.000 4.258 2.896 4.972 . 0 0 "[ . 1 . 2]" 1
9 1 80 ILE HA 1 80 ILE HG13 3.500 . 4.000 3.434 2.673 4.114 0.114 8 0 "[ . 1 . 2]" 1
10 1 96 LYS HA 1 96 LYS HD3 5.000 . 6.000 4.484 4.263 5.448 . 0 0 "[ . 1 . 2]" 1
11 1 96 LYS HA 1 96 LYS HD2 5.000 . 6.000 4.661 4.485 4.878 . 0 0 "[ . 1 . 2]" 1
12 1 112 LYS HA 1 112 LYS HD3 5.000 . 6.000 4.784 4.649 4.880 . 0 0 "[ . 1 . 2]" 1
13 1 114 LEU HA 1 114 LEU HG 2.500 . 3.500 2.951 2.784 3.050 . 0 0 "[ . 1 . 2]" 1
14 1 86 HIS HA 1 86 HIS HD2 5.000 . 6.000 3.413 1.924 4.674 . 0 0 "[ . 1 . 2]" 1
15 1 99 HIS HA 1 99 HIS HD2 5.000 . 6.000 3.195 1.899 4.518 . 0 0 "[ . 1 . 2]" 1
16 1 29 TRP HA 1 29 TRP HE3 5.000 . 6.000 2.895 2.550 3.235 . 0 0 "[ . 1 . 2]" 1
17 1 56 TRP HA 1 56 TRP HD1 5.000 . 6.000 4.132 4.013 4.262 . 0 0 "[ . 1 . 2]" 1
18 1 10 HIS HA 1 10 HIS HD2 5.000 . 6.000 4.716 4.337 4.902 . 0 0 "[ . 1 . 2]" 1
19 1 23 ARG HA 1 23 ARG HD3 5.000 . 6.000 4.849 4.593 4.995 . 0 0 "[ . 1 . 2]" 1
20 1 58 TRP HA 1 58 TRP HE3 5.000 . 6.000 2.388 2.087 2.703 . 0 0 "[ . 1 . 2]" 1
21 1 63 TRP HA 1 63 TRP HE3 5.000 . 6.000 3.814 3.401 4.173 . 0 0 "[ . 1 . 2]" 1
22 1 63 TRP HA 1 63 TRP HD1 5.000 . 6.000 3.855 3.685 4.039 . 0 0 "[ . 1 . 2]" 1
23 1 91 TRP HA 1 91 TRP HD1 5.000 . 6.000 4.203 4.059 4.270 . 0 0 "[ . 1 . 2]" 1
24 1 91 TRP HA 1 91 TRP HE3 5.000 . 6.000 3.190 2.932 3.524 . 0 0 "[ . 1 . 2]" 1
25 1 102 ARG HA 1 102 ARG HD3 5.000 . 6.000 4.530 2.035 5.034 . 0 0 "[ . 1 . 2]" 1
26 1 105 ARG HA 1 105 ARG HD2 5.000 . 6.000 4.670 4.631 4.692 . 0 0 "[ . 1 . 2]" 1
27 1 108 ARG HA 1 108 ARG HD3 5.000 . 6.000 3.432 3.196 3.975 . 0 0 "[ . 1 . 2]" 1
28 1 29 TRP HA 1 29 TRP HD1 5.000 . 6.000 4.419 4.322 4.508 . 0 0 "[ . 1 . 2]" 1
29 1 76 TRP HA 1 76 TRP HD1 5.000 . 6.000 4.442 4.103 4.609 . 0 0 "[ . 1 . 2]" 1
30 1 76 TRP HA 1 76 TRP HE3 5.000 . 6.000 2.606 2.048 3.473 . 0 0 "[ . 1 . 2]" 1
31 1 43 LYS HA 1 43 LYS HD2 5.000 . 6.000 3.887 2.132 4.863 . 0 0 "[ . 1 . 2]" 1
32 1 43 LYS HA 1 43 LYS HD3 5.000 . 6.000 3.574 2.920 4.673 . 0 0 "[ . 1 . 2]" 1
33 1 23 ARG HA 1 23 ARG HD2 5.000 . 6.000 4.571 4.398 4.703 . 0 0 "[ . 1 . 2]" 1
34 1 110 ARG HA 1 110 ARG HD3 5.000 . 6.000 5.535 5.482 5.588 . 0 0 "[ . 1 . 2]" 1
35 1 108 ARG HA 1 108 ARG HD2 5.000 . 6.000 2.879 2.095 4.576 . 0 0 "[ . 1 . 2]" 1
36 1 105 ARG HA 1 105 ARG HD3 5.000 . 6.000 4.936 4.870 5.033 . 0 0 "[ . 1 . 2]" 1
37 1 102 ARG HA 1 102 ARG HD2 5.000 . 6.000 4.534 3.089 4.785 . 0 0 "[ . 1 . 2]" 1
38 1 96 LYS HB2 1 96 LYS HE2 5.000 . 6.000 4.178 2.777 4.783 . 0 0 "[ . 1 . 2]" 1
39 1 96 LYS HB2 1 96 LYS HE3 5.000 . 6.000 4.179 2.050 4.822 . 0 0 "[ . 1 . 2]" 1
40 1 96 LYS HB3 1 96 LYS HE2 5.000 . 6.000 3.843 1.986 4.762 . 0 0 "[ . 1 . 2]" 1
41 1 96 LYS HB3 1 96 LYS HE3 5.000 . 6.000 3.978 2.138 4.720 . 0 0 "[ . 1 . 2]" 1
42 1 96 LYS HE3 1 96 LYS HG3 4.000 . 5.000 3.052 2.493 3.768 . 0 0 "[ . 1 . 2]" 1
43 1 96 LYS HE2 1 96 LYS HG3 4.000 . 5.000 3.400 2.606 4.236 . 0 0 "[ . 1 . 2]" 1
44 1 96 LYS HA 1 96 LYS HE2 5.000 . 6.000 5.154 4.212 6.053 0.053 8 0 "[ . 1 . 2]" 1
45 1 96 LYS HA 1 96 LYS HE3 5.000 . 6.000 4.961 4.237 5.988 . 0 0 "[ . 1 . 2]" 1
46 1 16 GLU H 1 16 GLU HB3 4.000 . 5.000 3.290 3.050 3.468 . 0 0 "[ . 1 . 2]" 1
47 1 14 THR H 1 14 THR HB 4.000 . 5.000 2.613 2.526 2.735 . 0 0 "[ . 1 . 2]" 1
48 1 36 TYR H 1 36 TYR HB3 3.500 . 4.000 3.668 3.621 3.744 . 0 0 "[ . 1 . 2]" 1
49 1 50 LEU H 1 50 LEU HG 4.000 . 5.000 2.851 2.411 4.590 . 0 0 "[ . 1 . 2]" 1
50 1 50 LEU H 1 50 LEU HB2 4.000 . 5.000 2.219 1.997 2.440 . 0 0 "[ . 1 . 2]" 1
51 1 12 GLU H 1 12 GLU HG2 4.000 . 5.000 3.133 2.643 4.069 . 0 0 "[ . 1 . 2]" 1
52 1 20 ASN H 1 20 ASN HB2 4.000 . 5.000 2.894 2.375 3.965 . 0 0 "[ . 1 . 2]" 1
53 1 46 SER H 1 46 SER HB3 3.000 . 3.500 3.462 2.780 3.666 0.166 5 0 "[ . 1 . 2]" 1
54 1 60 ASP H 1 60 ASP HB2 4.000 . 5.000 2.364 2.212 2.564 . 0 0 "[ . 1 . 2]" 1
55 1 60 ASP H 1 60 ASP HB3 4.000 . 5.000 3.141 2.458 3.680 . 0 0 "[ . 1 . 2]" 1
56 1 65 TYR H 1 65 TYR HB2 4.000 . 5.000 3.654 3.535 3.803 . 0 0 "[ . 1 . 2]" 1
57 1 73 GLU H 1 73 GLU HB2 4.000 . 5.000 2.419 2.262 2.785 . 0 0 "[ . 1 . 2]" 1
58 1 91 TRP H 1 91 TRP HB2 4.000 . 5.000 2.868 2.700 2.959 . 0 0 "[ . 1 . 2]" 1
59 1 91 TRP H 1 91 TRP HB3 4.000 . 5.000 3.890 3.781 3.950 . 0 0 "[ . 1 . 2]" 1
60 1 106 LEU H 1 106 LEU HB3 4.000 . 5.000 3.673 3.614 3.764 . 0 0 "[ . 1 . 2]" 1
61 1 109 LYS H 1 109 LYS HG2 4.000 . 5.000 4.325 3.820 4.491 . 0 0 "[ . 1 . 2]" 1
62 1 109 LYS H 1 109 LYS HB2 2.500 . 3.000 2.378 2.088 2.723 . 0 0 "[ . 1 . 2]" 1
63 1 111 LYS H 1 111 LYS HB2 4.000 . 5.000 3.417 2.393 4.034 . 0 0 "[ . 1 . 2]" 1
64 1 4 PHE H 1 4 PHE HB3 4.000 . 5.000 3.472 2.368 4.109 . 0 0 "[ . 1 . 2]" 1
65 1 7 ASP H 1 7 ASP HB3 4.000 . 5.000 2.919 2.410 3.687 . 0 0 "[ . 1 . 2]" 1
66 1 7 ASP H 1 7 ASP HB2 4.000 . 5.000 2.911 2.396 3.892 . 0 0 "[ . 1 . 2]" 1
67 1 15 ASP H 1 15 ASP HB3 4.000 . 5.000 2.854 2.753 3.039 . 0 0 "[ . 1 . 2]" 1
68 1 15 ASP H 1 15 ASP HB2 4.000 . 5.000 2.751 2.628 2.854 . 0 0 "[ . 1 . 2]" 1
69 1 17 VAL H 1 17 VAL HB 4.000 . 5.000 3.336 3.072 4.006 . 0 0 "[ . 1 . 2]" 1
70 1 18 TYR H 1 18 TYR HB3 4.000 . 5.000 3.701 3.494 3.826 . 0 0 "[ . 1 . 2]" 1
71 1 18 TYR H 1 18 TYR HB2 4.000 . 5.000 2.544 2.175 2.751 . 0 0 "[ . 1 . 2]" 1
72 1 22 SER H 1 22 SER HB3 4.000 . 5.000 3.539 2.796 3.923 . 0 0 "[ . 1 . 2]" 1
73 1 22 SER H 1 22 SER HB2 4.000 . 5.000 3.233 2.771 3.897 . 0 0 "[ . 1 . 2]" 1
74 1 24 TYR H 1 24 TYR HB3 4.000 . 5.000 3.599 3.547 3.646 . 0 0 "[ . 1 . 2]" 1
75 1 24 TYR H 1 24 TYR HB2 4.000 . 5.000 2.767 2.604 2.931 . 0 0 "[ . 1 . 2]" 1
76 1 34 ASP H 1 34 ASP HB3 4.000 . 5.000 3.778 3.724 3.852 . 0 0 "[ . 1 . 2]" 1
77 1 35 THR H 1 35 THR HB 4.000 . 5.000 2.620 2.515 2.742 . 0 0 "[ . 1 . 2]" 1
78 1 42 ASP H 1 42 ASP HB2 4.000 . 5.000 2.618 2.285 3.078 . 0 0 "[ . 1 . 2]" 1
79 1 42 ASP H 1 42 ASP HB3 4.000 . 5.000 2.978 2.515 3.668 . 0 0 "[ . 1 . 2]" 1
80 1 48 SER H 1 48 SER HB3 4.000 . 5.000 3.078 2.560 3.679 . 0 0 "[ . 1 . 2]" 1
81 1 51 THR H 1 51 THR HB 4.000 . 5.000 3.648 2.931 3.791 . 0 0 "[ . 1 . 2]" 1
82 1 56 TRP H 1 56 TRP HB3 4.000 . 5.000 3.797 3.521 3.905 . 0 0 "[ . 1 . 2]" 1
83 1 56 TRP H 1 56 TRP HB2 4.000 . 5.000 2.720 2.296 2.886 . 0 0 "[ . 1 . 2]" 1
84 1 57 GLU H 1 57 GLU HG3 4.000 . 5.000 4.136 3.691 4.306 . 0 0 "[ . 1 . 2]" 1
85 1 66 ASP H 1 66 ASP HB3 4.000 . 5.000 2.422 2.212 2.531 . 0 0 "[ . 1 . 2]" 1
86 1 66 ASP H 1 66 ASP HB2 4.000 . 5.000 2.789 2.614 3.028 . 0 0 "[ . 1 . 2]" 1
87 1 67 ILE H 1 67 ILE HB 4.000 . 5.000 3.714 3.652 3.812 . 0 0 "[ . 1 . 2]" 1
88 1 68 ASN H 1 68 ASN HB2 4.000 . 5.000 2.715 2.367 3.370 . 0 0 "[ . 1 . 2]" 1
89 1 68 ASN H 1 68 ASN HB3 4.000 . 5.000 2.735 2.117 3.705 . 0 0 "[ . 1 . 2]" 1
90 1 69 ARG H 1 69 ARG HG3 4.000 . 5.000 3.883 2.967 4.812 . 0 0 "[ . 1 . 2]" 1
91 1 69 ARG H 1 69 ARG HB3 4.000 . 5.000 3.679 2.799 3.895 . 0 0 "[ . 1 . 2]" 1
92 1 69 ARG H 1 69 ARG HB2 4.000 . 5.000 2.799 2.574 3.159 . 0 0 "[ . 1 . 2]" 1
93 1 74 LYS H 1 74 LYS HG2 4.000 . 5.000 3.242 2.106 3.897 . 0 0 "[ . 1 . 2]" 1
94 1 76 TRP H 1 76 TRP HB2 4.000 . 5.000 2.699 2.441 3.532 . 0 0 "[ . 1 . 2]" 1
95 1 80 ILE H 1 80 ILE HB 4.000 . 5.000 3.579 2.924 3.924 . 0 0 "[ . 1 . 2]" 1
96 1 81 THR H 1 81 THR HB 4.000 . 5.000 2.830 2.481 3.282 . 0 0 "[ . 1 . 2]" 1
97 1 82 ILE H 1 82 ILE HB 4.000 . 5.000 3.155 2.484 3.796 . 0 0 "[ . 1 . 2]" 1
98 1 82 ILE H 1 82 ILE HG12 4.000 . 5.000 3.253 1.848 4.424 . 0 0 "[ . 1 . 2]" 1
99 1 87 LYS H 1 87 LYS HG2 4.000 . 5.000 4.205 3.398 4.841 . 0 0 "[ . 1 . 2]" 1
100 1 89 LYS H 1 89 LYS HB2 4.000 . 5.000 3.179 2.478 3.717 . 0 0 "[ . 1 . 2]" 1
101 1 89 LYS H 1 89 LYS HB3 4.000 . 5.000 3.260 2.489 3.804 . 0 0 "[ . 1 . 2]" 1
102 1 89 LYS H 1 89 LYS HG2 4.000 . 5.000 2.196 1.732 4.405 0.068 7 0 "[ . 1 . 2]" 1
103 1 90 SER H 1 90 SER HB2 4.000 . 5.000 3.032 2.416 3.375 . 0 0 "[ . 1 . 2]" 1
104 1 92 VAL H 1 92 VAL HB 4.000 . 5.000 3.230 2.780 4.022 . 0 0 "[ . 1 . 2]" 1
105 1 98 TYR H 1 98 TYR HB2 4.000 . 5.000 2.640 2.253 3.728 . 0 0 "[ . 1 . 2]" 1
106 1 98 TYR H 1 98 TYR HB3 4.000 . 5.000 3.476 2.685 3.663 . 0 0 "[ . 1 . 2]" 1
107 1 112 LYS H 1 112 LYS HB3 4.000 . 5.000 2.592 2.412 3.601 . 0 0 "[ . 1 . 2]" 1
108 1 112 LYS H 1 112 LYS HB2 4.000 . 5.000 2.598 2.289 2.805 . 0 0 "[ . 1 . 2]" 1
109 1 113 ASP H 1 113 ASP HB3 4.000 . 5.000 3.639 3.546 3.711 . 0 0 "[ . 1 . 2]" 1
110 1 113 ASP H 1 113 ASP HB2 4.000 . 5.000 3.007 2.792 3.610 . 0 0 "[ . 1 . 2]" 1
111 1 116 GLN H 1 116 GLN HB2 4.000 . 5.000 2.449 2.105 2.719 . 0 0 "[ . 1 . 2]" 1
112 1 116 GLN H 1 116 GLN HB3 4.000 . 5.000 3.277 2.302 3.671 . 0 0 "[ . 1 . 2]" 1
113 1 116 GLN H 1 116 GLN HG3 4.000 . 5.000 3.575 2.544 4.453 . 0 0 "[ . 1 . 2]" 1
114 1 117 THR H 1 117 THR HB 4.000 . 5.000 3.368 2.550 4.121 . 0 0 "[ . 1 . 2]" 1
115 1 12 GLU H 1 12 GLU HB3 4.000 . 5.000 3.247 2.903 3.390 . 0 0 "[ . 1 . 2]" 1
116 1 65 TYR H 1 65 TYR HB3 4.000 . 5.000 3.019 2.735 3.415 . 0 0 "[ . 1 . 2]" 1
117 1 72 ASP H 1 72 ASP HB2 4.000 . 5.000 2.485 2.301 2.797 . 0 0 "[ . 1 . 2]" 1
118 1 73 GLU H 1 73 GLU HG2 4.000 . 5.000 3.301 1.807 3.801 . 0 0 "[ . 1 . 2]" 1
119 1 77 GLU H 1 77 GLU HB3 3.500 . 4.000 3.449 2.883 3.741 . 0 0 "[ . 1 . 2]" 1
120 1 82 ILE H 1 82 ILE HG13 4.000 . 5.000 2.835 1.778 3.918 0.022 19 0 "[ . 1 . 2]" 1
121 1 87 LYS H 1 87 LYS HB3 4.000 . 5.000 3.759 3.317 4.018 . 0 0 "[ . 1 . 2]" 1
122 1 95 GLU H 1 95 GLU HB3 4.000 . 5.000 2.992 2.431 3.772 . 0 0 "[ . 1 . 2]" 1
123 1 97 MET H 1 97 MET HB3 4.000 . 5.000 2.526 2.330 2.813 . 0 0 "[ . 1 . 2]" 1
124 1 97 MET H 1 97 MET HB2 4.000 . 5.000 2.497 2.157 3.656 . 0 0 "[ . 1 . 2]" 1
125 1 34 ASP H 1 34 ASP HB2 4.000 . 5.000 2.684 2.581 2.832 . 0 0 "[ . 1 . 2]" 1
126 1 38 ASP H 1 38 ASP HB3 4.000 . 5.000 2.503 2.266 3.537 . 0 0 "[ . 1 . 2]" 1
127 1 38 ASP H 1 38 ASP HB2 4.000 . 5.000 2.952 2.370 3.718 . 0 0 "[ . 1 . 2]" 1
128 1 4 PHE H 1 4 PHE HB2 4.000 . 5.000 2.684 2.370 3.627 . 0 0 "[ . 1 . 2]" 1
129 1 20 ASN H 1 20 ASN HB3 4.000 . 5.000 3.635 3.323 3.803 . 0 0 "[ . 1 . 2]" 1
130 1 10 HIS H 1 10 HIS HD2 4.000 . 5.000 3.399 2.662 4.815 . 0 0 "[ . 1 . 2]" 1
131 1 29 TRP H 1 29 TRP HD1 4.000 . 5.000 2.552 2.367 2.778 . 0 0 "[ . 1 . 2]" 1
132 1 56 TRP H 1 56 TRP HD1 4.000 . 5.000 3.689 2.634 4.295 . 0 0 "[ . 1 . 2]" 1
133 1 58 TRP H 1 58 TRP HB2 4.000 . 5.000 2.513 2.427 2.596 . 0 0 "[ . 1 . 2]" 1
134 1 58 TRP H 1 58 TRP HB3 4.000 . 5.000 3.659 3.620 3.724 . 0 0 "[ . 1 . 2]" 1
135 1 59 GLU H 1 59 GLU HG3 4.000 . 5.000 4.329 2.113 4.787 . 0 0 "[ . 1 . 2]" 1
136 1 59 GLU H 1 59 GLU HB2 4.000 . 5.000 2.996 2.264 3.919 . 0 0 "[ . 1 . 2]" 1
137 1 61 ASP H 1 61 ASP HB2 4.000 . 5.000 2.641 2.271 3.638 . 0 0 "[ . 1 . 2]" 1
138 1 63 TRP H 1 63 TRP HB2 4.000 . 5.000 2.698 2.584 2.863 . 0 0 "[ . 1 . 2]" 1
139 1 99 HIS H 1 99 HIS HD2 4.000 . 5.000 4.899 3.622 5.274 0.274 6 0 "[ . 1 . 2]" 1
140 1 101 HIS H 1 101 HIS HB3 4.000 . 5.000 3.687 3.059 3.921 . 0 0 "[ . 1 . 2]" 1
141 1 101 HIS H 1 101 HIS HB2 4.000 . 5.000 2.703 2.535 2.886 . 0 0 "[ . 1 . 2]" 1
142 1 107 VAL H 1 107 VAL HB 4.000 . 5.000 3.739 3.681 3.801 . 0 0 "[ . 1 . 2]" 1
143 1 5 THR H 1 5 THR HB 4.000 . 5.000 3.006 2.525 4.063 . 0 0 "[ . 1 . 2]" 1
144 1 13 PHE H 1 13 PHE HB2 4.000 . 5.000 3.221 2.905 3.514 . 0 0 "[ . 1 . 2]" 1
145 1 13 PHE H 1 13 PHE HB3 4.000 . 5.000 2.693 2.428 2.960 . 0 0 "[ . 1 . 2]" 1
146 1 16 GLU H 1 16 GLU HB2 4.000 . 5.000 3.951 3.861 4.086 . 0 0 "[ . 1 . 2]" 1
147 1 16 GLU H 1 16 GLU HG3 4.000 . 5.000 3.451 2.592 3.774 . 0 0 "[ . 1 . 2]" 1
148 1 16 GLU H 1 16 GLU HG2 4.000 . 5.000 2.692 2.358 4.137 . 0 0 "[ . 1 . 2]" 1
149 1 19 GLN H 1 19 GLN HB2 4.000 . 5.000 2.919 2.352 3.601 . 0 0 "[ . 1 . 2]" 1
150 1 19 GLN H 1 19 GLN HB3 4.000 . 5.000 2.785 2.373 3.775 . 0 0 "[ . 1 . 2]" 1
151 1 21 GLU H 1 21 GLU HB3 4.000 . 5.000 3.781 3.661 3.869 . 0 0 "[ . 1 . 2]" 1
152 1 23 ARG H 1 23 ARG HD2 4.000 . 5.000 5.067 5.020 5.146 0.146 15 0 "[ . 1 . 2]" 1
153 1 23 ARG H 1 23 ARG HB3 4.000 . 5.000 3.324 3.226 3.414 . 0 0 "[ . 1 . 2]" 1
154 1 23 ARG H 1 23 ARG HD3 4.000 . 5.000 4.898 4.667 5.068 0.068 3 0 "[ . 1 . 2]" 1
155 1 23 ARG H 1 23 ARG HG2 4.000 . 5.000 2.756 2.480 3.043 . 0 0 "[ . 1 . 2]" 1
156 1 28 ASP H 1 28 ASP HB3 4.000 . 5.000 2.853 2.408 3.922 . 0 0 "[ . 1 . 2]" 1
157 1 29 TRP HB3 1 29 TRP HE1 4.000 . 5.000 5.151 5.134 5.167 0.167 12 0 "[ . 1 . 2]" 1
158 1 30 LYS H 1 30 LYS HB2 4.000 . 5.000 2.739 2.561 3.835 . 0 0 "[ . 1 . 2]" 1
159 1 33 GLU H 1 33 GLU HG3 4.000 . 5.000 3.539 1.925 4.828 . 0 0 "[ . 1 . 2]" 1
160 1 33 GLU H 1 33 GLU HB3 4.000 . 5.000 3.531 2.899 4.183 . 0 0 "[ . 1 . 2]" 1
161 1 40 ASN H 1 40 ASN HD22 4.000 . 5.000 4.114 3.397 5.056 0.056 12 0 "[ . 1 . 2]" 1
162 1 43 LYS H 1 43 LYS HB3 4.000 . 5.000 2.639 2.248 2.838 . 0 0 "[ . 1 . 2]" 1
163 1 43 LYS H 1 43 LYS HG3 4.000 . 5.000 4.443 3.079 4.633 . 0 0 "[ . 1 . 2]" 1
164 1 57 GLU H 1 57 GLU HB3 4.000 . 5.000 2.327 2.156 2.629 . 0 0 "[ . 1 . 2]" 1
165 1 76 TRP HB2 1 76 TRP HE1 4.000 . 5.000 4.751 4.708 4.815 . 0 0 "[ . 1 . 2]" 1
166 1 58 TRP H 1 58 TRP HD1 4.000 . 5.000 3.177 2.781 3.566 . 0 0 "[ . 1 . 2]" 1
167 1 58 TRP H 1 58 TRP HE3 4.000 . 5.000 4.830 4.487 5.069 0.069 11 0 "[ . 1 . 2]" 1
168 1 63 TRP H 1 63 TRP HE1 4.000 . 5.000 4.449 4.306 4.733 . 0 0 "[ . 1 . 2]" 1
169 1 63 TRP H 1 63 TRP HD1 4.000 . 5.000 2.030 1.815 2.278 . 0 0 "[ . 1 . 2]" 1
170 1 69 ARG H 1 69 ARG HD3 4.000 . 5.000 4.605 3.739 5.154 0.154 20 0 "[ . 1 . 2]" 1
171 1 71 VAL H 1 71 VAL HB 4.000 . 5.000 3.812 3.726 3.864 . 0 0 "[ . 1 . 2]" 1
172 1 77 GLU H 1 77 GLU HG2 4.000 . 5.000 2.650 1.688 3.661 0.112 15 0 "[ . 1 . 2]" 1
173 1 80 ILE H 1 80 ILE HG12 4.000 . 5.000 2.915 1.760 4.069 0.040 20 0 "[ . 1 . 2]" 1
174 1 91 TRP H 1 91 TRP HD1 4.000 . 5.000 3.048 2.820 3.201 . 0 0 "[ . 1 . 2]" 1
175 1 91 TRP H 1 91 TRP HE1 4.000 . 5.000 5.111 4.979 5.172 0.172 12 0 "[ . 1 . 2]" 1
176 1 91 TRP HB3 1 91 TRP HE1 4.000 . 5.000 5.172 5.160 5.187 0.187 7 0 "[ . 1 . 2]" 1
177 1 91 TRP HB2 1 91 TRP HE1 4.000 . 5.000 4.748 4.725 4.789 . 0 0 "[ . 1 . 2]" 1
178 1 95 GLU H 1 95 GLU HG2 4.000 . 5.000 4.528 2.023 5.204 0.204 4 0 "[ . 1 . 2]" 1
179 1 95 GLU H 1 95 GLU HB2 4.000 . 5.000 3.028 2.310 4.210 . 0 0 "[ . 1 . 2]" 1
180 1 96 LYS H 1 96 LYS HD2 4.000 . 5.000 4.595 3.374 5.083 0.083 6 0 "[ . 1 . 2]" 1
181 1 96 LYS H 1 96 LYS HG2 4.000 . 5.000 4.090 1.952 4.651 . 0 0 "[ . 1 . 2]" 1
182 1 96 LYS H 1 96 LYS HB2 4.000 . 5.000 2.579 2.331 3.543 . 0 0 "[ . 1 . 2]" 1
183 1 104 ARG H 1 104 ARG HD2 4.000 . 5.000 5.026 4.935 5.084 0.084 15 0 "[ . 1 . 2]" 1
184 1 105 ARG H 1 105 ARG HG2 4.000 . 5.000 4.198 4.067 4.297 . 0 0 "[ . 1 . 2]" 1
185 1 105 ARG H 1 105 ARG HB2 4.000 . 5.000 2.837 2.741 2.907 . 0 0 "[ . 1 . 2]" 1
186 1 105 ARG H 1 105 ARG HB3 4.000 . 5.000 2.288 2.160 2.400 . 0 0 "[ . 1 . 2]" 1
187 1 105 ARG H 1 105 ARG HD2 4.000 . 5.000 4.642 4.413 4.856 . 0 0 "[ . 1 . 2]" 1
188 1 106 LEU H 1 106 LEU HB2 4.000 . 5.000 2.587 2.506 2.852 . 0 0 "[ . 1 . 2]" 1
189 1 110 ARG H 1 110 ARG HB3 4.000 . 5.000 3.390 3.214 3.515 . 0 0 "[ . 1 . 2]" 1
190 1 110 ARG H 1 110 ARG HD3 4.000 . 5.000 4.803 4.594 5.015 0.015 5 0 "[ . 1 . 2]" 1
191 1 111 LYS H 1 111 LYS HG2 4.000 . 5.000 3.690 2.242 4.348 . 0 0 "[ . 1 . 2]" 1
192 1 112 LYS H 1 112 LYS HG2 4.000 . 5.000 4.425 4.094 4.525 . 0 0 "[ . 1 . 2]" 1
193 1 112 LYS H 1 112 LYS HG3 4.000 . 5.000 4.428 2.928 4.610 . 0 0 "[ . 1 . 2]" 1
194 1 114 LEU H 1 114 LEU HB3 3.500 . 4.000 3.650 3.492 3.754 . 0 0 "[ . 1 . 2]" 1
195 1 121 THR H 1 121 THR HB 4.000 . 5.000 3.015 2.487 4.055 . 0 0 "[ . 1 . 2]" 1
196 1 68 ASN HB2 1 68 ASN HD22 4.000 . 5.000 3.732 3.455 4.068 . 0 0 "[ . 1 . 2]" 1
197 1 68 ASN HB3 1 68 ASN HD22 4.000 . 5.000 3.843 3.464 4.096 . 0 0 "[ . 1 . 2]" 1
198 1 68 ASN HA 1 68 ASN HD22 4.000 . 5.000 4.035 3.405 5.030 0.030 14 0 "[ . 1 . 2]" 1
199 1 23 ARG HB3 1 23 ARG HE 4.000 . 5.000 4.504 4.331 4.589 . 0 0 "[ . 1 . 2]" 1
200 1 103 ARG HE 1 103 ARG HG3 4.000 . 5.000 3.465 2.428 3.724 . 0 0 "[ . 1 . 2]" 1
201 1 103 ARG HE 1 103 ARG HG2 4.000 . 5.000 2.864 2.410 3.714 . 0 0 "[ . 1 . 2]" 1
202 1 103 ARG HB3 1 103 ARG HE 4.000 . 5.000 2.451 1.717 4.288 0.083 6 0 "[ . 1 . 2]" 1
203 1 103 ARG HB2 1 103 ARG HE 4.000 . 5.000 3.061 2.219 4.418 . 0 0 "[ . 1 . 2]" 1
204 1 103 ARG HA 1 103 ARG HE 4.000 . 5.000 4.568 4.255 5.105 0.105 17 0 "[ . 1 . 2]" 1
205 1 105 ARG HE 1 105 ARG HG2 4.000 . 5.000 3.529 3.496 3.566 . 0 0 "[ . 1 . 2]" 1
206 1 105 ARG HE 1 105 ARG HG3 4.000 . 5.000 2.338 2.266 2.387 . 0 0 "[ . 1 . 2]" 1
207 1 105 ARG H 1 105 ARG HE 4.000 . 5.000 5.167 5.110 5.235 0.235 12 0 "[ . 1 . 2]" 1
208 1 110 ARG HB2 1 110 ARG HE 4.000 . 5.000 2.278 1.963 2.495 . 0 0 "[ . 1 . 2]" 1
209 1 19 GLN HB3 1 19 GLN HE22 4.000 . 5.000 3.875 3.417 4.490 . 0 0 "[ . 1 . 2]" 1
210 1 68 ASN HA 1 68 ASN HD21 4.000 . 5.000 3.077 1.859 4.488 . 0 0 "[ . 1 . 2]" 1
211 1 116 GLN HE22 1 116 GLN HG2 4.000 . 5.000 3.650 3.440 4.057 . 0 0 "[ . 1 . 2]" 1
212 1 28 ASP H 1 28 ASP HB2 4.000 . 5.000 3.061 2.566 3.793 . 0 0 "[ . 1 . 2]" 1
213 1 58 TRP HB3 1 58 TRP HE1 4.000 . 5.000 5.111 5.049 5.151 0.151 11 0 "[ . 1 . 2]" 1
214 1 58 TRP HB2 1 58 TRP HE1 4.000 . 5.000 4.708 4.673 4.732 . 0 0 "[ . 1 . 2]" 1
215 1 29 TRP H 1 29 TRP HB2 4.000 . 5.000 2.619 2.555 2.681 . 0 0 "[ . 1 . 2]" 1
216 1 49 GLU H 1 49 GLU HB2 4.000 . 5.000 2.526 2.291 2.704 . 0 0 "[ . 1 . 2]" 1
217 1 74 LYS H 1 74 LYS HG3 4.000 . 5.000 2.589 1.786 3.736 0.014 16 0 "[ . 1 . 2]" 1
218 1 76 TRP H 1 76 TRP HD1 4.000 . 5.000 3.236 2.752 4.436 . 0 0 "[ . 1 . 2]" 1
219 1 72 ASP H 1 72 ASP HB3 4.000 . 5.000 2.520 2.100 2.669 . 0 0 "[ . 1 . 2]" 1
220 1 76 TRP H 1 76 TRP HB3 4.000 . 5.000 3.695 3.576 4.012 . 0 0 "[ . 1 . 2]" 1
221 1 43 LYS H 1 43 LYS HG2 4.000 . 5.000 4.424 3.857 4.681 . 0 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 525
_Distance_constraint_stats_list.Viol_count 1234
_Distance_constraint_stats_list.Viol_total 1801.079
_Distance_constraint_stats_list.Viol_max 0.310
_Distance_constraint_stats_list.Viol_rms 0.0301
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0086
_Distance_constraint_stats_list.Viol_average_violations_only 0.0730
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 9 GLY 0.353 0.106 2 0 "[ . 1 . 2]"
1 10 HIS 4.285 0.260 15 0 "[ . 1 . 2]"
1 11 THR 0.514 0.104 14 0 "[ . 1 . 2]"
1 12 GLU 8.878 0.275 12 0 "[ . 1 . 2]"
1 13 PHE 2.135 0.247 15 0 "[ . 1 . 2]"
1 14 THR 0.616 0.101 18 0 "[ . 1 . 2]"
1 15 ASP 0.034 0.025 20 0 "[ . 1 . 2]"
1 16 GLU 6.027 0.226 8 0 "[ . 1 . 2]"
1 17 VAL 2.084 0.200 14 0 "[ . 1 . 2]"
1 18 TYR 2.938 0.268 6 0 "[ . 1 . 2]"
1 19 GLN 3.629 0.168 19 0 "[ . 1 . 2]"
1 20 ASN 2.735 0.310 6 0 "[ . 1 . 2]"
1 21 GLU 8.845 0.250 19 0 "[ . 1 . 2]"
1 22 SER 2.727 0.180 13 0 "[ . 1 . 2]"
1 23 ARG 4.188 0.204 20 0 "[ . 1 . 2]"
1 25 PRO 0.202 0.045 8 0 "[ . 1 . 2]"
1 26 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 29 TRP 10.162 0.250 19 0 "[ . 1 . 2]"
1 30 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 31 PRO 1.092 0.141 7 0 "[ . 1 . 2]"
1 32 ALA 3.121 0.239 10 0 "[ . 1 . 2]"
1 34 ASP 0.373 0.060 13 0 "[ . 1 . 2]"
1 35 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 TYR 1.871 0.157 2 0 "[ . 1 . 2]"
1 37 THR 0.218 0.068 18 0 "[ . 1 . 2]"
1 38 ASP 0.037 0.036 20 0 "[ . 1 . 2]"
1 43 LYS 0.251 0.060 13 0 "[ . 1 . 2]"
1 44 ALA 0.237 0.038 12 0 "[ . 1 . 2]"
1 46 SER 1.394 0.157 2 0 "[ . 1 . 2]"
1 47 PRO 2.444 0.128 17 0 "[ . 1 . 2]"
1 50 LEU 1.645 0.130 13 0 "[ . 1 . 2]"
1 51 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 52 CYS 0.377 0.085 16 0 "[ . 1 . 2]"
1 53 PRO 1.155 0.140 19 0 "[ . 1 . 2]"
1 55 GLY 0.230 0.093 19 0 "[ . 1 . 2]"
1 56 TRP 7.877 0.260 15 0 "[ . 1 . 2]"
1 57 GLU 1.850 0.187 2 0 "[ . 1 . 2]"
1 58 TRP 1.546 0.155 13 0 "[ . 1 . 2]"
1 59 GLU 1.748 0.188 15 0 "[ . 1 . 2]"
1 60 ASP 0.791 0.157 13 0 "[ . 1 . 2]"
1 62 ALA 1.315 0.156 18 0 "[ . 1 . 2]"
1 63 TRP 7.369 0.166 16 0 "[ . 1 . 2]"
1 64 SER 2.645 0.170 14 0 "[ . 1 . 2]"
1 65 TYR 0.906 0.090 12 0 "[ . 1 . 2]"
1 66 ASP 0.206 0.048 10 0 "[ . 1 . 2]"
1 67 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 71 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 72 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 75 GLY 0.263 0.067 18 0 "[ . 1 . 2]"
1 76 TRP 2.000 0.168 19 0 "[ . 1 . 2]"
1 77 GLU 7.278 0.292 8 0 "[ . 1 . 2]"
1 78 TYR 1.418 0.103 10 0 "[ . 1 . 2]"
1 79 GLY 0.101 0.047 20 0 "[ . 1 . 2]"
1 80 ILE 1.260 0.136 7 0 "[ . 1 . 2]"
1 81 THR 1.498 0.112 7 0 "[ . 1 . 2]"
1 82 ILE 0.187 0.045 8 0 "[ . 1 . 2]"
1 87 LYS 0.204 0.061 8 0 "[ . 1 . 2]"
1 88 PRO 1.647 0.112 7 0 "[ . 1 . 2]"
1 91 TRP 3.697 0.292 8 0 "[ . 1 . 2]"
1 92 VAL 0.017 0.017 13 0 "[ . 1 . 2]"
1 93 ALA 0.848 0.172 7 0 "[ . 1 . 2]"
1 94 ALA 0.178 0.085 17 0 "[ . 1 . 2]"
1 97 MET 0.000 0.000 14 0 "[ . 1 . 2]"
1 98 TYR 0.015 0.015 13 0 "[ . 1 . 2]"
1 99 HIS 1.654 0.136 7 0 "[ . 1 . 2]"
1 100 THR 0.122 0.057 15 0 "[ . 1 . 2]"
1 101 HIS 3.225 0.204 20 0 "[ . 1 . 2]"
1 102 ARG 1.939 0.213 17 0 "[ . 1 . 2]"
1 103 ARG 4.628 0.310 6 0 "[ . 1 . 2]"
1 104 ARG 7.753 0.177 9 0 "[ . 1 . 2]"
1 105 ARG 3.460 0.210 9 0 "[ . 1 . 2]"
1 106 LEU 3.065 0.157 3 0 "[ . 1 . 2]"
1 107 VAL 2.384 0.166 16 0 "[ . 1 . 2]"
1 108 ARG 7.225 0.226 8 0 "[ . 1 . 2]"
1 109 LYS 3.326 0.183 6 0 "[ . 1 . 2]"
1 110 ARG 7.747 0.275 12 0 "[ . 1 . 2]"
1 111 LYS 5.082 0.194 8 0 "[ . 1 . 2]"
1 112 LYS 4.119 0.247 15 0 "[ . 1 . 2]"
1 113 ASP 0.717 0.169 13 0 "[ . 1 . 2]"
1 114 LEU 0.607 0.106 2 0 "[ . 1 . 2]"
1 116 GLN 1.394 0.155 13 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 16 GLU HA 1 107 VAL HA 5.000 . 6.000 2.496 2.189 2.728 . 0 0 "[ . 1 . 2]" 2
2 1 20 ASN HA 1 103 ARG HA 5.000 . 6.000 2.496 2.235 2.686 . 0 0 "[ . 1 . 2]" 2
3 1 14 THR HA 1 109 LYS HG2 5.000 . 6.000 2.369 2.058 3.224 . 0 0 "[ . 1 . 2]" 2
4 1 14 THR HA 1 109 LYS HA 4.000 . 5.000 1.820 1.699 2.100 0.101 18 0 "[ . 1 . 2]" 2
5 1 37 THR HA 1 44 ALA HA 5.000 . 6.000 4.751 4.178 5.029 . 0 0 "[ . 1 . 2]" 2
6 1 65 TYR HB3 1 106 LEU HA 5.000 . 6.000 4.084 3.771 4.621 . 0 0 "[ . 1 . 2]" 2
7 1 12 GLU HA 1 111 LYS HB2 5.000 . 6.000 3.667 2.857 5.369 . 0 0 "[ . 1 . 2]" 2
8 1 71 VAL HA 1 77 GLU HA 5.000 . 6.000 3.337 2.886 3.705 . 0 0 "[ . 1 . 2]" 2
9 1 77 GLU HA 1 94 ALA H 5.000 . 6.000 4.756 2.696 5.934 . 0 0 "[ . 1 . 2]" 2
10 1 77 GLU HA 1 91 TRP HB3 5.000 . 6.000 4.410 4.183 4.567 . 0 0 "[ . 1 . 2]" 2
11 1 77 GLU HA 1 91 TRP HB2 5.000 . 6.000 5.953 5.738 6.042 0.042 18 0 "[ . 1 . 2]" 2
12 1 77 GLU HA 1 93 ALA HA 5.000 . 6.000 3.342 2.546 3.649 . 0 0 "[ . 1 . 2]" 2
13 1 37 THR HA 1 43 LYS HA 5.000 . 6.000 2.295 1.889 3.056 . 0 0 "[ . 1 . 2]" 2
14 1 65 TYR HB2 1 106 LEU HA 5.000 . 6.000 4.697 4.465 4.977 . 0 0 "[ . 1 . 2]" 2
15 1 14 THR HB 1 109 LYS HA 5.000 . 6.000 4.722 4.599 4.990 . 0 0 "[ . 1 . 2]" 2
16 1 81 THR HA 1 88 PRO HA 5.000 . 6.000 3.406 2.990 3.719 . 0 0 "[ . 1 . 2]" 2
17 1 79 GLY HA2 1 91 TRP HA 5.000 . 6.000 3.679 3.103 4.734 . 0 0 "[ . 1 . 2]" 2
18 1 79 GLY HA3 1 91 TRP HA 5.000 . 6.000 4.748 3.763 5.953 . 0 0 "[ . 1 . 2]" 2
19 1 22 SER HA 1 101 HIS HB2 5.000 . 6.000 5.248 4.679 5.630 . 0 0 "[ . 1 . 2]" 2
20 1 58 TRP HA 1 110 ARG HA 5.000 . 6.000 2.613 2.277 2.921 . 0 0 "[ . 1 . 2]" 2
21 1 18 TYR HA 1 105 ARG HA 5.000 . 6.000 2.500 2.268 2.808 . 0 0 "[ . 1 . 2]" 2
22 1 18 TYR HB3 1 105 ARG HA 5.000 . 6.000 4.423 3.998 4.831 . 0 0 "[ . 1 . 2]" 2
23 1 21 GLU HA 1 31 PRO HB2 5.000 . 6.000 5.390 4.875 5.647 . 0 0 "[ . 1 . 2]" 2
24 1 21 GLU HA 1 31 PRO HB3 5.000 . 6.000 4.977 4.128 5.376 . 0 0 "[ . 1 . 2]" 2
25 1 21 GLU HA 1 31 PRO HG3 5.000 . 6.000 5.704 4.369 6.023 0.023 15 0 "[ . 1 . 2]" 2
26 1 20 ASN HB2 1 35 THR HA 5.000 . 6.000 3.593 2.270 5.765 . 0 0 "[ . 1 . 2]" 2
27 1 20 ASN HB3 1 35 THR HA 5.000 . 6.000 4.828 3.889 5.926 . 0 0 "[ . 1 . 2]" 2
28 1 56 TRP HA 1 112 LYS HB3 5.000 . 6.000 5.044 4.494 5.483 . 0 0 "[ . 1 . 2]" 2
29 1 56 TRP HA 1 112 LYS HG2 5.000 . 6.000 4.558 3.159 4.969 . 0 0 "[ . 1 . 2]" 2
30 1 56 TRP HA 1 112 LYS HG3 5.000 . 6.000 3.461 2.732 4.115 . 0 0 "[ . 1 . 2]" 2
31 1 71 VAL HA 1 93 ALA HA 5.000 . 6.000 2.756 2.127 3.973 . 0 0 "[ . 1 . 2]" 2
32 1 71 VAL HA 1 77 GLU HB3 5.000 . 6.000 3.917 2.889 4.961 . 0 0 "[ . 1 . 2]" 2
33 1 80 ILE HB 1 99 HIS HA 5.000 . 6.000 3.189 2.184 4.032 . 0 0 "[ . 1 . 2]" 2
34 1 12 GLU HA 1 111 LYS HD2 5.000 . 6.000 6.048 4.796 6.194 0.194 8 0 "[ . 1 . 2]" 2
35 1 12 GLU HA 1 111 LYS HG2 5.000 . 6.000 4.902 4.551 5.365 . 0 0 "[ . 1 . 2]" 2
36 1 19 GLN HA 1 36 TYR HA 5.000 . 6.000 2.877 2.427 3.218 . 0 0 "[ . 1 . 2]" 2
37 1 17 VAL HA 1 38 ASP HA 5.000 . 6.000 3.652 3.199 4.096 . 0 0 "[ . 1 . 2]" 2
38 1 80 ILE HA 1 99 HIS HA 5.000 . 6.000 2.983 1.767 3.370 0.033 8 0 "[ . 1 . 2]" 2
39 1 63 TRP HA 1 108 ARG HA 5.000 . 6.000 3.669 3.292 3.975 . 0 0 "[ . 1 . 2]" 2
40 1 56 TRP HA 1 112 LYS HA 5.000 . 6.000 2.330 2.021 2.541 . 0 0 "[ . 1 . 2]" 2
41 1 9 GLY HA2 1 114 LEU HB3 5.000 . 6.000 5.749 4.872 6.106 0.106 2 0 "[ . 1 . 2]" 2
42 1 9 GLY HA3 1 114 LEU HB3 5.000 . 6.000 5.275 4.083 6.001 0.001 13 0 "[ . 1 . 2]" 2
43 1 78 TYR HA 1 102 ARG HA 5.000 . 6.000 4.296 3.015 4.888 . 0 0 "[ . 1 . 2]" 2
44 1 63 TRP HB2 1 106 LEU HA 5.000 . 6.000 5.181 5.004 5.325 . 0 0 "[ . 1 . 2]" 2
45 1 63 TRP HB2 1 106 LEU HB2 5.000 . 6.000 3.825 3.258 4.143 . 0 0 "[ . 1 . 2]" 2
46 1 63 TRP HB3 1 106 LEU HB3 5.000 . 6.000 1.863 1.681 2.096 0.119 12 0 "[ . 1 . 2]" 2
47 1 63 TRP HB3 1 106 LEU HA 5.000 . 6.000 3.919 3.828 4.081 . 0 0 "[ . 1 . 2]" 2
48 1 63 TRP HB3 1 106 LEU HB2 5.000 . 6.000 2.717 2.015 3.025 . 0 0 "[ . 1 . 2]" 2
49 1 63 TRP HB2 1 106 LEU HG 5.000 . 6.000 5.299 4.910 5.613 . 0 0 "[ . 1 . 2]" 2
50 1 63 TRP HB3 1 106 LEU HG 5.000 . 6.000 4.666 4.348 5.023 . 0 0 "[ . 1 . 2]" 2
51 1 16 GLU HB2 1 107 VAL HA 5.000 . 6.000 3.819 3.648 3.947 . 0 0 "[ . 1 . 2]" 2
52 1 16 GLU HB3 1 107 VAL HA 5.000 . 6.000 3.654 3.036 3.905 . 0 0 "[ . 1 . 2]" 2
53 1 16 GLU HG3 1 107 VAL HA 5.000 . 6.000 5.878 5.463 6.037 0.037 1 0 "[ . 1 . 2]" 2
54 1 22 SER HB2 1 101 HIS HD2 5.000 . 6.000 3.963 2.699 6.016 0.016 9 0 "[ . 1 . 2]" 2
55 1 22 SER HB3 1 101 HIS HD2 5.000 . 6.000 3.387 1.792 5.494 0.008 3 0 "[ . 1 . 2]" 2
56 1 10 HIS HA 1 113 ASP HA 5.000 . 6.000 3.151 2.188 4.376 . 0 0 "[ . 1 . 2]" 2
57 1 10 HIS HB3 1 113 ASP HA 5.000 . 6.000 2.275 1.791 3.393 0.009 12 0 "[ . 1 . 2]" 2
58 1 10 HIS HB2 1 113 ASP HA 5.000 . 6.000 3.921 3.317 5.101 . 0 0 "[ . 1 . 2]" 2
59 1 10 HIS HA 1 113 ASP HB3 5.000 . 6.000 5.577 5.078 6.025 0.025 7 0 "[ . 1 . 2]" 2
60 1 12 GLU HB3 1 56 TRP HZ3 5.000 . 6.000 4.101 3.731 4.908 . 0 0 "[ . 1 . 2]" 2
61 1 12 GLU HB2 1 56 TRP HZ3 5.000 . 6.000 4.060 3.577 4.635 . 0 0 "[ . 1 . 2]" 2
62 1 12 GLU HA 1 56 TRP HZ3 5.000 . 6.000 1.916 1.645 2.429 0.155 15 0 "[ . 1 . 2]" 2
63 1 16 GLU HA 1 63 TRP HZ3 5.000 . 6.000 2.571 2.225 2.909 . 0 0 "[ . 1 . 2]" 2
64 1 16 GLU HA 1 63 TRP HE3 5.000 . 6.000 3.416 3.174 3.667 . 0 0 "[ . 1 . 2]" 2
65 1 16 GLU HG3 1 105 ARG HD2 5.000 . 6.000 5.978 5.762 6.068 0.068 3 0 "[ . 1 . 2]" 2
66 1 20 ASN HA 1 103 ARG HB3 5.000 . 6.000 3.179 2.479 4.942 . 0 0 "[ . 1 . 2]" 2
67 1 20 ASN HA 1 103 ARG HB2 5.000 . 6.000 3.689 2.503 5.090 . 0 0 "[ . 1 . 2]" 2
68 1 21 GLU HA 1 31 PRO HA 5.000 . 6.000 2.821 1.960 3.227 . 0 0 "[ . 1 . 2]" 2
69 1 21 GLU HA 1 32 ALA HA 5.000 . 6.000 3.560 3.143 4.600 . 0 0 "[ . 1 . 2]" 2
70 1 22 SER HA 1 32 ALA HA 5.000 . 6.000 4.901 4.054 6.040 0.040 18 0 "[ . 1 . 2]" 2
71 1 22 SER HB3 1 32 ALA HA 5.000 . 6.000 3.688 2.031 5.574 . 0 0 "[ . 1 . 2]" 2
72 1 22 SER HB2 1 32 ALA HA 5.000 . 6.000 3.276 2.037 4.548 . 0 0 "[ . 1 . 2]" 2
73 1 22 SER HB3 1 29 TRP HZ3 5.000 . 6.000 4.648 3.877 5.675 . 0 0 "[ . 1 . 2]" 2
74 1 22 SER HB2 1 29 TRP HZ3 5.000 . 6.000 5.028 4.099 5.655 . 0 0 "[ . 1 . 2]" 2
75 1 22 SER HA 1 29 TRP HE3 5.000 . 6.000 2.260 2.096 2.409 . 0 0 "[ . 1 . 2]" 2
76 1 23 ARG HA 1 29 TRP HE3 5.000 . 6.000 4.647 4.277 5.016 . 0 0 "[ . 1 . 2]" 2
77 1 26 GLY HA2 1 97 MET HG3 5.000 . 6.000 3.180 2.302 5.173 . 0 0 "[ . 1 . 2]" 2
78 1 23 ARG HD2 1 29 TRP HA 5.000 . 6.000 4.947 4.561 5.544 . 0 0 "[ . 1 . 2]" 2
79 1 21 GLU HB2 1 29 TRP HA 5.000 . 6.000 4.876 4.493 5.428 . 0 0 "[ . 1 . 2]" 2
80 1 23 ARG HB3 1 29 TRP HA 5.000 . 6.000 2.145 1.788 2.545 0.012 1 0 "[ . 1 . 2]" 2
81 1 23 ARG HB2 1 29 TRP HA 5.000 . 6.000 3.735 3.171 4.283 . 0 0 "[ . 1 . 2]" 2
82 1 23 ARG HD3 1 29 TRP HA 5.000 . 6.000 4.074 3.643 4.662 . 0 0 "[ . 1 . 2]" 2
83 1 23 ARG HG2 1 29 TRP HA 5.000 . 6.000 3.802 3.500 3.989 . 0 0 "[ . 1 . 2]" 2
84 1 34 ASP HA 1 43 LYS HG3 5.000 . 6.000 4.186 3.227 6.060 0.060 13 0 "[ . 1 . 2]" 2
85 1 34 ASP HB3 1 43 LYS HG3 5.000 . 6.000 3.208 1.832 4.538 . 0 0 "[ . 1 . 2]" 2
86 1 34 ASP HB2 1 43 LYS HG3 5.000 . 6.000 4.788 3.457 6.038 0.038 17 0 "[ . 1 . 2]" 2
87 1 34 ASP HA 1 43 LYS HD3 5.000 . 6.000 4.559 2.353 6.041 0.041 2 0 "[ . 1 . 2]" 2
88 1 36 TYR HA 1 46 SER HB3 5.000 . 6.000 6.065 5.911 6.157 0.157 2 0 "[ . 1 . 2]" 2
89 1 36 TYR HB3 1 46 SER HA 5.000 . 6.000 2.983 2.580 3.388 . 0 0 "[ . 1 . 2]" 2
90 1 36 TYR HB2 1 46 SER HA 5.000 . 6.000 2.954 2.520 3.617 . 0 0 "[ . 1 . 2]" 2
91 1 34 ASP HB3 1 43 LYS HA 5.000 . 6.000 3.239 2.668 3.989 . 0 0 "[ . 1 . 2]" 2
92 1 34 ASP HB3 1 43 LYS HB3 5.000 . 6.000 3.991 2.314 4.508 . 0 0 "[ . 1 . 2]" 2
93 1 34 ASP HB3 1 43 LYS HB2 5.000 . 6.000 2.498 1.934 3.094 . 0 0 "[ . 1 . 2]" 2
94 1 34 ASP HB3 1 43 LYS HG2 5.000 . 6.000 3.100 1.902 4.283 . 0 0 "[ . 1 . 2]" 2
95 1 34 ASP HB2 1 43 LYS HA 5.000 . 6.000 4.385 3.656 5.271 . 0 0 "[ . 1 . 2]" 2
96 1 34 ASP HB2 1 43 LYS HB3 5.000 . 6.000 5.307 3.437 5.987 . 0 0 "[ . 1 . 2]" 2
97 1 34 ASP HB2 1 43 LYS HB2 5.000 . 6.000 3.708 2.684 4.259 . 0 0 "[ . 1 . 2]" 2
98 1 34 ASP HB2 1 43 LYS HG2 5.000 . 6.000 4.725 3.644 6.016 0.016 4 0 "[ . 1 . 2]" 2
99 1 37 THR HA 1 43 LYS HB3 5.000 . 6.000 5.190 4.408 5.875 . 0 0 "[ . 1 . 2]" 2
100 1 37 THR HA 1 43 LYS HB2 5.000 . 6.000 4.671 4.006 5.380 . 0 0 "[ . 1 . 2]" 2
101 1 47 PRO HB3 1 62 ALA HA 5.000 . 6.000 6.050 5.967 6.123 0.123 17 0 "[ . 1 . 2]" 2
102 1 47 PRO HB2 1 63 TRP HA 5.000 . 6.000 6.050 5.978 6.128 0.128 17 0 "[ . 1 . 2]" 2
103 1 47 PRO HA 1 63 TRP HH2 5.000 . 6.000 4.752 4.432 5.101 . 0 0 "[ . 1 . 2]" 2
104 1 47 PRO HA 1 63 TRP HD1 5.000 . 6.000 4.377 3.916 4.721 . 0 0 "[ . 1 . 2]" 2
105 1 47 PRO HA 1 63 TRP HZ2 5.000 . 6.000 3.638 3.229 3.889 . 0 0 "[ . 1 . 2]" 2
106 1 47 PRO HB3 1 63 TRP HD1 5.000 . 6.000 2.912 2.787 3.159 . 0 0 "[ . 1 . 2]" 2
107 1 47 PRO HB3 1 63 TRP HZ2 5.000 . 6.000 4.605 4.048 5.004 . 0 0 "[ . 1 . 2]" 2
108 1 47 PRO HB2 1 63 TRP HZ2 5.000 . 6.000 5.722 5.200 6.016 0.016 10 0 "[ . 1 . 2]" 2
109 1 47 PRO HB2 1 63 TRP HD1 5.000 . 6.000 3.169 2.772 3.706 . 0 0 "[ . 1 . 2]" 2
110 1 36 TYR HA 1 47 PRO HD2 5.000 . 6.000 6.019 5.994 6.047 0.047 20 0 "[ . 1 . 2]" 2
111 1 36 TYR HA 1 47 PRO HD3 5.000 . 6.000 5.409 4.771 6.003 0.003 12 0 "[ . 1 . 2]" 2
112 1 50 LEU HB3 1 58 TRP HZ2 5.000 . 6.000 3.497 3.170 3.939 . 0 0 "[ . 1 . 2]" 2
113 1 50 LEU HB2 1 58 TRP HZ2 5.000 . 6.000 4.879 4.407 5.340 . 0 0 "[ . 1 . 2]" 2
114 1 51 THR HA 1 58 TRP HZ2 5.000 . 6.000 3.618 3.163 4.086 . 0 0 "[ . 1 . 2]" 2
115 1 52 CYS HA 1 58 TRP HZ2 5.000 . 6.000 3.500 2.969 4.195 . 0 0 "[ . 1 . 2]" 2
116 1 52 CYS HB3 1 58 TRP HD1 5.000 . 6.000 3.064 2.650 3.614 . 0 0 "[ . 1 . 2]" 2
117 1 55 GLY HA3 1 116 GLN HB2 5.000 . 6.000 4.982 3.748 6.093 0.093 19 0 "[ . 1 . 2]" 2
118 1 55 GLY HA2 1 116 GLN HB2 5.000 . 6.000 3.628 2.590 4.782 . 0 0 "[ . 1 . 2]" 2
119 1 58 TRP HA 1 110 ARG HB2 5.000 . 6.000 3.396 2.994 3.770 . 0 0 "[ . 1 . 2]" 2
120 1 58 TRP HA 1 110 ARG HB3 5.000 . 6.000 3.390 3.062 3.674 . 0 0 "[ . 1 . 2]" 2
121 1 58 TRP HB3 1 110 ARG HA 5.000 . 6.000 4.631 4.145 5.082 . 0 0 "[ . 1 . 2]" 2
122 1 58 TRP HB2 1 110 ARG HA 5.000 . 6.000 5.562 5.181 5.915 . 0 0 "[ . 1 . 2]" 2
123 1 59 GLU HA 1 110 ARG HA 5.000 . 6.000 4.997 4.111 5.631 . 0 0 "[ . 1 . 2]" 2
124 1 60 ASP HB3 1 108 ARG HA 5.000 . 6.000 3.172 2.459 3.672 . 0 0 "[ . 1 . 2]" 2
125 1 60 ASP HB2 1 108 ARG HA 5.000 . 6.000 3.177 2.348 3.696 . 0 0 "[ . 1 . 2]" 2
126 1 62 ALA HA 1 108 ARG HB2 5.000 . 6.000 5.091 4.229 5.548 . 0 0 "[ . 1 . 2]" 2
127 1 63 TRP HA 1 106 LEU HB2 5.000 . 6.000 4.925 4.139 5.311 . 0 0 "[ . 1 . 2]" 2
128 1 63 TRP HA 1 108 ARG HD3 5.000 . 6.000 3.265 2.932 3.832 . 0 0 "[ . 1 . 2]" 2
129 1 63 TRP HA 1 108 ARG HB3 5.000 . 6.000 4.603 3.953 4.913 . 0 0 "[ . 1 . 2]" 2
130 1 63 TRP HA 1 108 ARG HB2 5.000 . 6.000 2.919 2.345 3.272 . 0 0 "[ . 1 . 2]" 2
131 1 65 TYR HA 1 106 LEU HG 5.000 . 6.000 4.517 4.210 4.924 . 0 0 "[ . 1 . 2]" 2
132 1 65 TYR HB3 1 106 LEU HG 5.000 . 6.000 4.825 4.340 5.239 . 0 0 "[ . 1 . 2]" 2
133 1 65 TYR HB2 1 106 LEU HG 5.000 . 6.000 5.946 5.671 6.064 0.064 17 0 "[ . 1 . 2]" 2
134 1 65 TYR HA 1 104 ARG HD3 5.000 . 6.000 5.945 5.486 6.090 0.090 12 0 "[ . 1 . 2]" 2
135 1 65 TYR HB2 1 104 ARG HD3 5.000 . 6.000 4.421 4.017 5.392 . 0 0 "[ . 1 . 2]" 2
136 1 65 TYR HB3 1 104 ARG HD3 5.000 . 6.000 4.155 3.586 4.594 . 0 0 "[ . 1 . 2]" 2
137 1 65 TYR HB3 1 75 GLY HA2 5.000 . 6.000 5.651 4.791 6.030 0.030 18 0 "[ . 1 . 2]" 2
138 1 65 TYR HB2 1 75 GLY HA2 5.000 . 6.000 4.100 3.371 4.511 . 0 0 "[ . 1 . 2]" 2
139 1 66 ASP HB3 1 105 ARG HD2 5.000 . 6.000 2.414 1.851 3.159 . 0 0 "[ . 1 . 2]" 2
140 1 66 ASP HB2 1 105 ARG HD2 5.000 . 6.000 2.633 1.817 3.397 . 0 0 "[ . 1 . 2]" 2
141 1 66 ASP HB3 1 105 ARG HB2 5.000 . 6.000 3.950 3.498 4.431 . 0 0 "[ . 1 . 2]" 2
142 1 66 ASP HB2 1 105 ARG HB2 5.000 . 6.000 4.817 3.731 5.401 . 0 0 "[ . 1 . 2]" 2
143 1 71 VAL HB 1 93 ALA HA 5.000 . 6.000 4.915 4.450 5.615 . 0 0 "[ . 1 . 2]" 2
144 1 76 TRP HB2 1 102 ARG HD3 5.000 . 6.000 4.605 2.742 5.781 . 0 0 "[ . 1 . 2]" 2
145 1 76 TRP HB2 1 102 ARG HD2 5.000 . 6.000 3.881 2.694 5.556 . 0 0 "[ . 1 . 2]" 2
146 1 76 TRP HB3 1 103 ARG HA 5.000 . 6.000 5.558 5.077 6.025 0.025 12 0 "[ . 1 . 2]" 2
147 1 77 GLU HB2 1 91 TRP HB2 5.000 . 6.000 4.190 3.394 5.588 . 0 0 "[ . 1 . 2]" 2
148 1 77 GLU HG2 1 91 TRP HB2 5.000 . 6.000 5.653 5.201 6.093 0.093 17 0 "[ . 1 . 2]" 2
149 1 77 GLU HB3 1 91 TRP HB2 5.000 . 6.000 4.308 3.643 4.996 . 0 0 "[ . 1 . 2]" 2
150 1 77 GLU HB3 1 91 TRP HB3 5.000 . 6.000 2.861 2.010 3.742 . 0 0 "[ . 1 . 2]" 2
151 1 77 GLU HB2 1 91 TRP HB3 5.000 . 6.000 2.547 1.812 3.915 . 0 0 "[ . 1 . 2]" 2
152 1 78 TYR HA 1 99 HIS HD2 5.000 . 6.000 3.677 2.765 5.038 . 0 0 "[ . 1 . 2]" 2
153 1 79 GLY HA2 1 88 PRO HB3 5.000 . 6.000 2.416 1.919 3.179 . 0 0 "[ . 1 . 2]" 2
154 1 79 GLY HA3 1 88 PRO HG2 5.000 . 6.000 3.006 2.658 3.467 . 0 0 "[ . 1 . 2]" 2
155 1 79 GLY HA3 1 88 PRO HG3 5.000 . 6.000 3.603 3.155 4.052 . 0 0 "[ . 1 . 2]" 2
156 1 79 GLY HA3 1 88 PRO HB2 5.000 . 6.000 3.345 2.639 4.231 . 0 0 "[ . 1 . 2]" 2
157 1 79 GLY HA2 1 88 PRO HB2 5.000 . 6.000 3.342 2.868 4.149 . 0 0 "[ . 1 . 2]" 2
158 1 79 GLY HA3 1 101 HIS HB2 5.000 . 6.000 3.415 2.765 4.525 . 0 0 "[ . 1 . 2]" 2
159 1 79 GLY HA3 1 88 PRO HA 5.000 . 6.000 5.083 4.659 5.636 . 0 0 "[ . 1 . 2]" 2
160 1 79 GLY HA2 1 88 PRO HA 5.000 . 6.000 4.557 3.972 5.146 . 0 0 "[ . 1 . 2]" 2
161 1 79 GLY HA3 1 99 HIS HD2 5.000 . 6.000 4.807 3.609 6.010 0.010 12 0 "[ . 1 . 2]" 2
162 1 79 GLY HA2 1 99 HIS HD2 5.000 . 6.000 5.169 2.233 6.047 0.047 20 0 "[ . 1 . 2]" 2
163 1 79 GLY HA2 1 91 TRP HE3 5.000 . 6.000 3.864 3.544 4.275 . 0 0 "[ . 1 . 2]" 2
164 1 79 GLY HA3 1 91 TRP HZ2 5.000 . 6.000 4.451 4.055 4.955 . 0 0 "[ . 1 . 2]" 2
165 1 80 ILE HA 1 101 HIS HB3 5.000 . 6.000 5.477 4.614 6.028 0.028 8 0 "[ . 1 . 2]" 2
166 1 80 ILE HB 1 98 TYR HB3 5.000 . 6.000 3.995 2.398 5.815 . 0 0 "[ . 1 . 2]" 2
167 1 80 ILE HA 1 99 HIS HB3 5.000 . 6.000 5.079 3.852 5.604 . 0 0 "[ . 1 . 2]" 2
168 1 80 ILE HB 1 99 HIS HB3 5.000 . 6.000 5.746 4.248 6.046 0.046 13 0 "[ . 1 . 2]" 2
169 1 81 THR HA 1 88 PRO HB3 5.000 . 6.000 4.751 4.495 5.116 . 0 0 "[ . 1 . 2]" 2
170 1 25 PRO HG2 1 82 ILE HA 5.000 . 6.000 5.815 4.686 6.045 0.045 8 0 "[ . 1 . 2]" 2
171 1 81 THR HA 1 88 PRO HB2 5.000 . 6.000 5.950 5.739 6.093 0.093 8 0 "[ . 1 . 2]" 2
172 1 79 GLY HA3 1 88 PRO HB3 5.000 . 6.000 2.849 2.336 3.397 . 0 0 "[ . 1 . 2]" 2
173 1 88 PRO HG2 1 101 HIS HB3 5.000 . 6.000 3.022 2.062 5.127 . 0 0 "[ . 1 . 2]" 2
174 1 88 PRO HG3 1 101 HIS HB3 5.000 . 6.000 3.848 3.286 4.883 . 0 0 "[ . 1 . 2]" 2
175 1 88 PRO HB2 1 101 HIS HB2 5.000 . 6.000 4.721 4.025 5.958 . 0 0 "[ . 1 . 2]" 2
176 1 88 PRO HD2 1 101 HIS HB2 5.000 . 6.000 4.511 3.315 6.062 0.062 17 0 "[ . 1 . 2]" 2
177 1 88 PRO HD3 1 101 HIS HB2 5.000 . 6.000 3.992 3.291 5.259 . 0 0 "[ . 1 . 2]" 2
178 1 88 PRO HG3 1 101 HIS HB2 5.000 . 6.000 2.689 2.285 3.583 . 0 0 "[ . 1 . 2]" 2
179 1 88 PRO HG2 1 101 HIS HB2 5.000 . 6.000 2.655 1.766 4.471 0.034 16 0 "[ . 1 . 2]" 2
180 1 77 GLU HG2 1 91 TRP HA 5.000 . 6.000 6.102 6.051 6.292 0.292 8 0 "[ . 1 . 2]" 2
181 1 77 GLU HG2 1 91 TRP HB3 5.000 . 6.000 4.299 4.087 4.588 . 0 0 "[ . 1 . 2]" 2
182 1 77 GLU HB3 1 91 TRP HA 5.000 . 6.000 4.488 3.601 5.626 . 0 0 "[ . 1 . 2]" 2
183 1 77 GLU HB2 1 91 TRP HA 5.000 . 6.000 3.974 3.145 5.117 . 0 0 "[ . 1 . 2]" 2
184 1 26 GLY HA2 1 97 MET HG2 5.000 . 6.000 3.826 2.489 5.957 . 0 0 "[ . 1 . 2]" 2
185 1 80 ILE HG12 1 99 HIS HA 5.000 . 6.000 5.424 4.319 5.907 . 0 0 "[ . 1 . 2]" 2
186 1 80 ILE HA 1 99 HIS HB2 5.000 . 6.000 5.680 3.890 6.136 0.136 7 0 "[ . 1 . 2]" 2
187 1 23 ARG HD3 1 100 THR HA 5.000 . 6.000 5.482 4.674 6.001 0.001 6 0 "[ . 1 . 2]" 2
188 1 23 ARG HG2 1 100 THR HA 5.000 . 6.000 3.587 2.910 4.140 . 0 0 "[ . 1 . 2]" 2
189 1 79 GLY HA3 1 101 HIS HB3 5.000 . 6.000 3.594 2.958 4.523 . 0 0 "[ . 1 . 2]" 2
190 1 91 TRP HZ3 1 101 HIS HB2 5.000 . 6.000 4.790 4.209 5.390 . 0 0 "[ . 1 . 2]" 2
191 1 91 TRP HZ3 1 101 HIS HB3 5.000 . 6.000 3.934 3.186 5.442 . 0 0 "[ . 1 . 2]" 2
192 1 91 TRP HH2 1 101 HIS HB2 5.000 . 6.000 4.129 3.012 5.192 . 0 0 "[ . 1 . 2]" 2
193 1 91 TRP HH2 1 101 HIS HB3 5.000 . 6.000 3.251 2.095 5.284 . 0 0 "[ . 1 . 2]" 2
194 1 91 TRP HE3 1 102 ARG HA 5.000 . 6.000 4.222 3.558 5.110 . 0 0 "[ . 1 . 2]" 2
195 1 91 TRP HH2 1 102 ARG HA 5.000 . 6.000 4.542 3.800 5.379 . 0 0 "[ . 1 . 2]" 2
196 1 91 TRP HZ3 1 102 ARG HA 5.000 . 6.000 2.683 1.816 3.610 . 0 0 "[ . 1 . 2]" 2
197 1 18 TYR HB2 1 103 ARG HA 5.000 . 6.000 6.131 6.031 6.268 0.268 6 0 "[ . 1 . 2]" 2
198 1 20 ASN HB2 1 103 ARG HA 5.000 . 6.000 4.997 3.673 5.567 . 0 0 "[ . 1 . 2]" 2
199 1 18 TYR HB2 1 103 ARG HB3 5.000 . 6.000 4.969 4.248 6.028 0.028 15 0 "[ . 1 . 2]" 2
200 1 18 TYR HB2 1 103 ARG HB2 5.000 . 6.000 4.298 3.600 5.870 . 0 0 "[ . 1 . 2]" 2
201 1 20 ASN HB3 1 103 ARG HA 5.000 . 6.000 4.331 2.796 5.049 . 0 0 "[ . 1 . 2]" 2
202 1 18 TYR HB3 1 103 ARG HB3 5.000 . 6.000 3.533 2.611 4.463 . 0 0 "[ . 1 . 2]" 2
203 1 18 TYR HB3 1 103 ARG HB2 5.000 . 6.000 2.692 1.992 4.480 . 0 0 "[ . 1 . 2]" 2
204 1 66 ASP HB2 1 105 ARG HG3 5.000 . 6.000 4.505 3.919 4.958 . 0 0 "[ . 1 . 2]" 2
205 1 66 ASP HB2 1 105 ARG HG2 5.000 . 6.000 2.978 2.399 3.394 . 0 0 "[ . 1 . 2]" 2
206 1 66 ASP HB2 1 105 ARG HB3 5.000 . 6.000 3.360 2.171 4.037 . 0 0 "[ . 1 . 2]" 2
207 1 66 ASP HB2 1 105 ARG HA 5.000 . 6.000 5.590 4.769 6.016 0.016 3 0 "[ . 1 . 2]" 2
208 1 66 ASP HB3 1 105 ARG HA 5.000 . 6.000 5.068 4.635 5.465 . 0 0 "[ . 1 . 2]" 2
209 1 66 ASP HB3 1 105 ARG HB3 5.000 . 6.000 2.327 1.802 2.792 . 0 0 "[ . 1 . 2]" 2
210 1 66 ASP HB3 1 105 ARG HG3 5.000 . 6.000 4.519 4.042 4.945 . 0 0 "[ . 1 . 2]" 2
211 1 19 GLN HB2 1 106 LEU HG 5.000 . 6.000 3.521 2.647 5.079 . 0 0 "[ . 1 . 2]" 2
212 1 63 TRP HE3 1 106 LEU HA 5.000 . 6.000 4.456 4.068 4.953 . 0 0 "[ . 1 . 2]" 2
213 1 63 TRP HE3 1 106 LEU HB2 5.000 . 6.000 2.802 2.309 3.190 . 0 0 "[ . 1 . 2]" 2
214 1 63 TRP HE3 1 106 LEU HB3 5.000 . 6.000 3.235 2.611 3.787 . 0 0 "[ . 1 . 2]" 2
215 1 63 TRP HE3 1 106 LEU HG 5.000 . 6.000 5.241 4.769 5.599 . 0 0 "[ . 1 . 2]" 2
216 1 63 TRP HE3 1 107 VAL HA 5.000 . 6.000 3.334 2.890 3.577 . 0 0 "[ . 1 . 2]" 2
217 1 63 TRP HZ3 1 107 VAL HA 5.000 . 6.000 3.950 3.547 4.378 . 0 0 "[ . 1 . 2]" 2
218 1 16 GLU HA 1 107 VAL HB 5.000 . 6.000 4.732 4.238 5.132 . 0 0 "[ . 1 . 2]" 2
219 1 14 THR HB 1 107 VAL HB 5.000 . 6.000 5.475 5.207 5.781 . 0 0 "[ . 1 . 2]" 2
220 1 14 THR HA 1 108 ARG HA 5.000 . 6.000 5.631 5.335 5.895 . 0 0 "[ . 1 . 2]" 2
221 1 60 ASP HA 1 108 ARG HA 5.000 . 6.000 5.569 5.134 6.000 . 11 0 "[ . 1 . 2]" 2
222 1 58 TRP HE3 1 108 ARG HA 5.000 . 6.000 5.030 4.707 5.325 . 0 0 "[ . 1 . 2]" 2
223 1 56 TRP HB3 1 110 ARG HA 5.000 . 6.000 5.510 5.125 6.017 0.017 9 0 "[ . 1 . 2]" 2
224 1 56 TRP HE3 1 110 ARG HA 5.000 . 6.000 4.572 4.135 4.966 . 0 0 "[ . 1 . 2]" 2
225 1 56 TRP HE3 1 110 ARG HB2 5.000 . 6.000 3.000 2.792 3.362 . 0 0 "[ . 1 . 2]" 2
226 1 58 TRP HE3 1 110 ARG HA 5.000 . 6.000 2.988 2.778 3.386 . 0 0 "[ . 1 . 2]" 2
227 1 56 TRP HZ3 1 111 LYS HA 5.000 . 6.000 2.135 1.782 3.109 0.018 16 0 "[ . 1 . 2]" 2
228 1 56 TRP HE3 1 111 LYS HA 5.000 . 6.000 3.225 2.876 3.526 . 0 0 "[ . 1 . 2]" 2
229 1 56 TRP HB2 1 112 LYS HA 5.000 . 6.000 5.207 4.987 5.411 . 0 0 "[ . 1 . 2]" 2
230 1 11 THR HB 1 112 LYS HA 5.000 . 6.000 4.967 4.519 5.677 . 0 0 "[ . 1 . 2]" 2
231 1 11 THR HB 1 112 LYS HB3 5.000 . 6.000 2.639 1.898 3.612 . 0 0 "[ . 1 . 2]" 2
232 1 11 THR HB 1 112 LYS HB2 5.000 . 6.000 2.702 1.719 3.332 0.081 15 0 "[ . 1 . 2]" 2
233 1 11 THR HA 1 112 LYS HB2 5.000 . 6.000 5.354 4.427 5.741 . 0 0 "[ . 1 . 2]" 2
234 1 11 THR HA 1 112 LYS HB3 5.000 . 6.000 4.954 4.679 6.048 0.048 15 0 "[ . 1 . 2]" 2
235 1 56 TRP HZ3 1 112 LYS HB2 5.000 . 6.000 3.291 3.139 4.135 . 0 0 "[ . 1 . 2]" 2
236 1 11 THR HB 1 112 LYS HG2 5.000 . 6.000 4.742 4.077 5.753 . 0 0 "[ . 1 . 2]" 2
237 1 11 THR HB 1 112 LYS HG3 5.000 . 6.000 4.740 3.072 5.564 . 0 0 "[ . 1 . 2]" 2
238 1 76 TRP HB3 1 102 ARG HD3 5.000 . 6.000 3.349 1.772 4.273 0.028 19 0 "[ . 1 . 2]" 2
239 1 18 TYR HA 1 105 ARG HB2 5.000 . 6.000 4.517 3.999 4.775 . 0 0 "[ . 1 . 2]" 2
240 1 22 SER HA 1 29 TRP HA 5.000 . 6.000 4.261 3.945 4.599 . 0 0 "[ . 1 . 2]" 2
241 1 19 GLN HB3 1 36 TYR HA 5.000 . 6.000 5.553 3.961 6.016 0.016 6 0 "[ . 1 . 2]" 2
242 1 19 GLN HB2 1 36 TYR HA 5.000 . 6.000 4.917 4.200 6.044 0.044 12 0 "[ . 1 . 2]" 2
243 1 56 TRP HB3 1 110 ARG HB3 5.000 . 6.000 4.659 4.380 4.936 . 0 0 "[ . 1 . 2]" 2
244 1 56 TRP HB2 1 110 ARG HB2 5.000 . 6.000 4.923 4.576 5.423 . 0 0 "[ . 1 . 2]" 2
245 1 66 ASP HA 1 105 ARG HD2 5.000 . 6.000 4.794 4.005 5.562 . 0 0 "[ . 1 . 2]" 2
246 1 66 ASP HA 1 105 ARG HB3 5.000 . 6.000 5.092 4.477 5.522 . 0 0 "[ . 1 . 2]" 2
247 1 18 TYR HB3 1 38 ASP HA 5.000 . 6.000 5.672 4.868 6.036 0.036 20 0 "[ . 1 . 2]" 2
248 1 59 GLU HA 1 111 LYS HG2 5.000 . 6.000 5.583 3.848 6.101 0.101 1 0 "[ . 1 . 2]" 2
249 1 56 TRP HB3 1 112 LYS HA 5.000 . 6.000 4.542 4.245 4.931 . 0 0 "[ . 1 . 2]" 2
250 1 67 ILE HA 1 75 GLY HA3 5.000 . 6.000 4.782 4.185 5.366 . 0 0 "[ . 1 . 2]" 2
251 1 67 ILE HA 1 75 GLY HA2 5.000 . 6.000 3.771 3.207 4.219 . 0 0 "[ . 1 . 2]" 2
252 1 80 ILE HB 1 99 HIS HB2 5.000 . 6.000 5.778 4.655 6.092 0.092 16 0 "[ . 1 . 2]" 2
253 1 18 TYR HB3 1 103 ARG HG3 5.000 . 6.000 3.696 2.221 5.385 . 0 0 "[ . 1 . 2]" 2
254 1 56 TRP HE3 1 110 ARG HD2 5.000 . 6.000 5.247 4.624 5.589 . 0 0 "[ . 1 . 2]" 2
255 1 56 TRP HE3 1 110 ARG HD3 5.000 . 6.000 4.882 3.611 5.405 . 0 0 "[ . 1 . 2]" 2
256 1 56 TRP HB2 1 110 ARG HD3 5.000 . 6.000 5.838 5.207 6.095 0.095 11 0 "[ . 1 . 2]" 2
257 1 56 TRP HB2 1 110 ARG HD2 5.000 . 6.000 5.931 5.670 6.100 0.100 3 0 "[ . 1 . 2]" 2
258 1 56 TRP HB3 1 110 ARG HD2 5.000 . 6.000 4.795 4.550 4.968 . 0 0 "[ . 1 . 2]" 2
259 1 56 TRP HB3 1 110 ARG HB2 5.000 . 6.000 3.240 2.910 3.720 . 0 0 "[ . 1 . 2]" 2
260 1 76 TRP HZ3 1 103 ARG HA 5.000 . 6.000 2.645 1.951 3.870 . 0 0 "[ . 1 . 2]" 2
261 1 12 GLU HA 1 56 TRP HE3 5.000 . 6.000 4.080 3.818 4.318 . 0 0 "[ . 1 . 2]" 2
262 1 16 GLU HG3 1 105 ARG HG2 5.000 . 6.000 5.376 5.126 5.881 . 0 0 "[ . 1 . 2]" 2
263 1 22 SER HA 1 100 THR HA 5.000 . 6.000 4.703 4.375 5.110 . 0 0 "[ . 1 . 2]" 2
264 1 65 TYR HA 1 105 ARG HA 5.000 . 6.000 5.337 5.115 5.571 . 0 0 "[ . 1 . 2]" 2
265 1 65 TYR HB3 1 75 GLY HA3 5.000 . 6.000 4.060 3.395 4.493 . 0 0 "[ . 1 . 2]" 2
266 1 65 TYR HB2 1 75 GLY HA3 5.000 . 6.000 2.689 1.939 3.148 . 0 0 "[ . 1 . 2]" 2
267 1 88 PRO HB3 1 101 HIS HB2 5.000 . 6.000 4.212 3.673 4.809 . 0 0 "[ . 1 . 2]" 2
268 1 23 ARG HD2 1 29 TRP HE3 5.000 . 6.000 5.623 5.199 5.991 . 0 0 "[ . 1 . 2]" 2
269 1 29 TRP HH2 1 99 HIS HB3 5.000 . 6.000 1.994 1.680 4.965 0.120 6 0 "[ . 1 . 2]" 2
270 1 81 THR HA 1 88 PRO HD2 5.000 . 6.000 6.004 5.420 6.112 0.112 7 0 "[ . 1 . 2]" 2
271 1 81 THR HA 1 88 PRO HD3 5.000 . 6.000 4.736 4.036 5.116 . 0 0 "[ . 1 . 2]" 2
272 1 15 ASP HB2 1 108 ARG HB3 5.000 . 6.000 4.257 3.549 4.746 . 0 0 "[ . 1 . 2]" 2
273 1 62 ALA HA 1 108 ARG HD2 5.000 . 6.000 3.475 2.896 3.999 . 0 0 "[ . 1 . 2]" 2
274 1 37 THR HB 1 43 LYS HA 5.000 . 6.000 3.921 3.406 4.478 . 0 0 "[ . 1 . 2]" 2
275 1 66 ASP HB3 1 105 ARG HD3 5.000 . 6.000 3.897 3.074 4.805 . 0 0 "[ . 1 . 2]" 2
276 1 18 TYR HB2 1 103 ARG HG2 5.000 . 6.000 5.533 3.608 6.062 0.062 19 0 "[ . 1 . 2]" 2
277 1 78 TYR HA 1 91 TRP HE3 5.000 . 6.000 4.369 3.476 4.883 . 0 0 "[ . 1 . 2]" 2
278 1 79 GLY HA2 1 88 PRO HG3 5.000 . 6.000 4.069 3.447 4.902 . 0 0 "[ . 1 . 2]" 2
279 1 26 GLY HA3 1 97 MET HG3 5.000 . 6.000 3.924 2.661 5.934 . 0 0 "[ . 1 . 2]" 2
280 1 66 ASP HB2 1 105 ARG HD3 5.000 . 6.000 3.445 2.896 4.227 . 0 0 "[ . 1 . 2]" 2
281 1 14 THR HA 1 110 ARG HD2 5.000 . 6.000 5.602 5.025 6.009 0.009 13 0 "[ . 1 . 2]" 2
282 1 76 TRP HA 1 102 ARG HD2 5.000 . 6.000 4.497 3.601 6.015 0.015 14 0 "[ . 1 . 2]" 2
283 1 76 TRP HE3 1 102 ARG HD2 5.000 . 6.000 3.181 2.314 4.444 . 0 0 "[ . 1 . 2]" 2
284 1 15 ASP HB3 1 63 TRP HZ2 5.000 . 6.000 4.460 4.030 4.825 . 0 0 "[ . 1 . 2]" 2
285 1 15 ASP HB2 1 63 TRP HZ2 5.000 . 6.000 5.620 5.183 6.025 0.025 20 0 "[ . 1 . 2]" 2
286 1 21 GLU HA 1 31 PRO HD2 5.000 . 6.000 6.004 5.459 6.141 0.141 7 0 "[ . 1 . 2]" 2
287 1 25 PRO HA 1 98 TYR HA 5.000 . 6.000 3.382 2.421 4.423 . 0 0 "[ . 1 . 2]" 2
288 1 78 TYR HA 1 94 ALA H 5.000 . 6.000 5.199 4.166 6.044 0.044 8 0 "[ . 1 . 2]" 2
289 1 22 SER HA 1 29 TRP HB2 5.000 . 6.000 6.111 6.037 6.180 0.180 13 0 "[ . 1 . 2]" 2
290 1 76 TRP HA 1 102 ARG HD3 5.000 . 6.000 5.319 3.913 6.054 0.054 16 0 "[ . 1 . 2]" 2
291 1 75 GLY HA2 1 104 ARG HD2 5.000 . 6.000 5.523 4.807 6.037 0.037 18 0 "[ . 1 . 2]" 2
292 1 10 HIS HB2 1 56 TRP HZ3 5.000 . 6.000 6.148 6.049 6.260 0.260 15 0 "[ . 1 . 2]" 2
293 1 10 HIS HB3 1 56 TRP HZ3 5.000 . 6.000 6.054 5.915 6.173 0.173 14 0 "[ . 1 . 2]" 2
294 1 15 ASP HB3 1 108 ARG HB3 5.000 . 6.000 3.021 2.377 3.629 . 0 0 "[ . 1 . 2]" 2
295 1 17 VAL HB 1 63 TRP HH2 5.000 . 6.000 4.382 3.746 6.021 0.021 14 0 "[ . 1 . 2]" 2
296 1 18 TYR HB2 1 105 ARG HA 5.000 . 6.000 4.868 4.632 5.154 . 0 0 "[ . 1 . 2]" 2
297 1 19 GLN HA 1 35 THR HB 5.000 . 6.000 5.291 4.935 5.599 . 0 0 "[ . 1 . 2]" 2
298 1 19 GLN HA 1 35 THR HA 5.000 . 6.000 4.483 4.233 4.730 . 0 0 "[ . 1 . 2]" 2
299 1 19 GLN HA 1 36 TYR HB3 5.000 . 6.000 4.947 4.598 5.352 . 0 0 "[ . 1 . 2]" 2
300 1 21 GLU HB3 1 29 TRP HE3 5.000 . 6.000 2.982 2.562 3.448 . 0 0 "[ . 1 . 2]" 2
301 1 21 GLU HB3 1 29 TRP HZ3 5.000 . 6.000 5.133 4.609 5.687 . 0 0 "[ . 1 . 2]" 2
302 1 21 GLU HB2 1 29 TRP HE3 5.000 . 6.000 3.299 2.723 4.051 . 0 0 "[ . 1 . 2]" 2
303 1 21 GLU HB2 1 29 TRP HZ3 5.000 . 6.000 4.808 4.104 5.871 . 0 0 "[ . 1 . 2]" 2
304 1 21 GLU HB3 1 31 PRO HA 5.000 . 6.000 4.216 3.445 4.727 . 0 0 "[ . 1 . 2]" 2
305 1 21 GLU HB3 1 29 TRP HB2 5.000 . 6.000 3.081 2.769 3.266 . 0 0 "[ . 1 . 2]" 2
306 1 21 GLU HB3 1 29 TRP HB3 5.000 . 6.000 1.739 1.692 1.837 0.108 14 0 "[ . 1 . 2]" 2
307 1 21 GLU HB2 1 29 TRP HB3 5.000 . 6.000 2.767 2.278 3.306 . 0 0 "[ . 1 . 2]" 2
308 1 21 GLU HB2 1 29 TRP HB2 5.000 . 6.000 3.965 3.472 4.417 . 0 0 "[ . 1 . 2]" 2
309 1 21 GLU HB2 1 31 PRO HA 5.000 . 6.000 5.085 4.307 5.619 . 0 0 "[ . 1 . 2]" 2
310 1 25 PRO HB3 1 98 TYR HA 5.000 . 6.000 2.478 1.785 4.027 0.015 13 0 "[ . 1 . 2]" 2
311 1 20 ASN HB2 1 32 ALA HA 5.000 . 6.000 5.238 4.737 6.071 0.071 15 0 "[ . 1 . 2]" 2
312 1 37 THR HA 1 43 LYS HG3 5.000 . 6.000 5.434 4.088 6.004 0.004 7 0 "[ . 1 . 2]" 2
313 1 34 ASP HA 1 43 LYS HD2 5.000 . 6.000 5.056 3.195 6.003 0.003 12 0 "[ . 1 . 2]" 2
314 1 36 TYR HA 1 46 SER HA 5.000 . 6.000 5.074 4.879 5.331 . 0 0 "[ . 1 . 2]" 2
315 1 11 THR HA 1 112 LYS HE3 5.000 . 6.000 5.102 4.601 5.735 . 0 0 "[ . 1 . 2]" 2
316 1 59 GLU HA 1 111 LYS HE3 5.000 . 6.000 5.829 4.962 6.188 0.188 15 0 "[ . 1 . 2]" 2
317 1 60 ASP HB3 1 108 ARG HB2 5.000 . 6.000 4.768 3.866 5.647 . 0 0 "[ . 1 . 2]" 2
318 1 60 ASP HB2 1 108 ARG HB2 5.000 . 6.000 5.020 3.896 5.950 . 0 0 "[ . 1 . 2]" 2
319 1 60 ASP HB2 1 108 ARG HB3 5.000 . 6.000 4.978 4.342 5.905 . 0 0 "[ . 1 . 2]" 2
320 1 71 VAL HA 1 77 GLU HB2 5.000 . 6.000 5.124 4.090 5.971 . 0 0 "[ . 1 . 2]" 2
321 1 71 VAL HB 1 77 GLU HA 5.000 . 6.000 4.543 4.252 4.978 . 0 0 "[ . 1 . 2]" 2
322 1 75 GLY HA2 1 104 ARG HA 5.000 . 6.000 5.100 4.432 6.013 0.013 18 0 "[ . 1 . 2]" 2
323 1 75 GLY HA3 1 104 ARG HA 5.000 . 6.000 4.552 3.707 6.009 0.009 18 0 "[ . 1 . 2]" 2
324 1 75 GLY HA3 1 104 ARG HD3 5.000 . 6.000 4.202 3.522 5.196 . 0 0 "[ . 1 . 2]" 2
325 1 75 GLY HA2 1 104 ARG HD3 5.000 . 6.000 5.562 5.027 6.067 0.067 18 0 "[ . 1 . 2]" 2
326 1 77 GLU HG2 1 103 ARG HG3 5.000 . 6.000 4.371 2.733 5.824 . 0 0 "[ . 1 . 2]" 2
327 1 78 TYR HA 1 91 TRP HZ3 5.000 . 6.000 5.043 3.782 5.706 . 0 0 "[ . 1 . 2]" 2
328 1 80 ILE HG13 1 99 HIS HA 5.000 . 6.000 5.095 2.905 5.775 . 0 0 "[ . 1 . 2]" 2
329 1 77 GLU HB2 1 93 ALA HA 5.000 . 6.000 5.576 4.511 6.172 0.172 7 0 "[ . 1 . 2]" 2
330 1 21 GLU HG3 1 31 PRO HA 5.000 . 6.000 3.957 2.954 4.974 . 0 0 "[ . 1 . 2]" 2
331 1 21 GLU HG2 1 31 PRO HA 5.000 . 6.000 2.641 1.802 3.479 . 0 0 "[ . 1 . 2]" 2
332 1 76 TRP HE3 1 104 ARG HA 5.000 . 6.000 4.571 4.069 5.102 . 0 0 "[ . 1 . 2]" 2
333 1 65 TYR HB3 1 104 ARG HD2 5.000 . 6.000 2.539 1.849 3.102 . 0 0 "[ . 1 . 2]" 2
334 1 65 TYR HB2 1 104 ARG HD2 5.000 . 6.000 3.163 2.497 4.115 . 0 0 "[ . 1 . 2]" 2
335 1 19 GLN HB2 1 104 ARG HG2 5.000 . 6.000 4.005 2.257 5.088 . 0 0 "[ . 1 . 2]" 2
336 1 19 GLN HB2 1 104 ARG HG3 5.000 . 6.000 3.621 2.080 5.085 . 0 0 "[ . 1 . 2]" 2
337 1 16 GLU HB3 1 105 ARG HG2 5.000 . 6.000 4.075 3.706 4.369 . 0 0 "[ . 1 . 2]" 2
338 1 12 GLU HB2 1 109 LYS HB2 5.000 . 6.000 6.045 5.813 6.183 0.183 6 0 "[ . 1 . 2]" 2
339 1 53 PRO HD2 1 110 ARG HD2 5.000 . 6.000 5.674 5.286 6.025 0.025 3 0 "[ . 1 . 2]" 2
340 1 53 PRO HD2 1 110 ARG HD3 5.000 . 6.000 5.944 5.494 6.140 0.140 19 0 "[ . 1 . 2]" 2
341 1 56 TRP HE3 1 112 LYS HA 5.000 . 6.000 3.247 3.013 3.502 . 0 0 "[ . 1 . 2]" 2
342 1 56 TRP HZ3 1 112 LYS HG3 5.000 . 6.000 5.270 3.007 5.641 . 0 0 "[ . 1 . 2]" 2
343 1 56 TRP HZ3 1 112 LYS HG2 5.000 . 6.000 5.984 4.673 6.096 0.096 2 0 "[ . 1 . 2]" 2
344 1 22 SER HA 1 100 THR HB 5.000 . 6.000 5.381 5.057 5.712 . 0 0 "[ . 1 . 2]" 2
345 1 52 CYS HA 1 110 ARG HD2 5.000 . 6.000 5.777 5.215 6.085 0.085 16 0 "[ . 1 . 2]" 2
346 1 25 PRO HG3 1 98 TYR HA 5.000 . 6.000 4.121 2.965 5.871 . 0 0 "[ . 1 . 2]" 2
347 1 81 THR HB 1 88 PRO HA 5.000 . 6.000 4.767 2.410 5.891 . 0 0 "[ . 1 . 2]" 2
348 1 81 THR HB 1 87 LYS HA 5.000 . 6.000 5.274 3.476 6.061 0.061 8 0 "[ . 1 . 2]" 2
349 1 19 GLN H 1 104 ARG H 4.000 . 5.000 2.418 1.846 3.220 . 0 0 "[ . 1 . 2]" 2
350 1 17 VAL H 1 106 LEU H 4.000 . 5.000 2.859 2.545 3.124 . 0 0 "[ . 1 . 2]" 2
351 1 37 THR HA 1 44 ALA H 4.000 . 5.000 2.402 1.808 2.745 . 0 0 "[ . 1 . 2]" 2
352 1 57 GLU H 1 110 ARG HA 4.000 . 5.000 4.956 4.694 5.097 0.097 16 0 "[ . 1 . 2]" 2
353 1 57 GLU H 1 111 LYS H 4.000 . 5.000 3.094 2.742 3.412 . 0 0 "[ . 1 . 2]" 2
354 1 79 GLY H 1 101 HIS H 4.000 . 5.000 4.311 3.403 4.737 . 0 0 "[ . 1 . 2]" 2
355 1 21 GLU H 1 102 ARG H 4.000 . 5.000 2.971 2.740 3.363 . 0 0 "[ . 1 . 2]" 2
356 1 14 THR HA 1 108 ARG H 4.000 . 5.000 4.795 4.544 4.949 . 0 0 "[ . 1 . 2]" 2
357 1 13 PHE H 1 110 ARG H 4.000 . 5.000 2.946 2.486 3.179 . 0 0 "[ . 1 . 2]" 2
358 1 64 SER H 1 107 VAL H 4.000 . 5.000 2.524 2.225 3.078 . 0 0 "[ . 1 . 2]" 2
359 1 12 GLU HA 1 112 LYS H 2.500 . 3.000 3.051 2.883 3.163 0.163 17 0 "[ . 1 . 2]" 2
360 1 10 HIS HB3 1 113 ASP H 3.000 . 3.500 3.088 2.680 3.550 0.050 9 0 "[ . 1 . 2]" 2
361 1 10 HIS HA 1 113 ASP H 4.000 . 5.000 4.297 3.591 4.795 . 0 0 "[ . 1 . 2]" 2
362 1 77 GLU H 1 103 ARG H 4.000 . 5.000 2.600 2.293 3.108 . 0 0 "[ . 1 . 2]" 2
363 1 79 GLY H 1 102 ARG HA 4.000 . 5.000 2.925 2.581 3.419 . 0 0 "[ . 1 . 2]" 2
364 1 22 SER H 1 32 ALA H 4.000 . 5.000 3.890 3.243 4.431 . 0 0 "[ . 1 . 2]" 2
365 1 21 GLU HB2 1 32 ALA H 4.000 . 5.000 5.129 4.894 5.239 0.239 10 0 "[ . 1 . 2]" 2
366 1 18 TYR H 1 37 THR H 4.000 . 5.000 2.775 2.463 3.423 . 0 0 "[ . 1 . 2]" 2
367 1 37 THR HB 1 44 ALA H 4.000 . 5.000 4.838 4.234 5.037 0.037 13 0 "[ . 1 . 2]" 2
368 1 15 ASP H 1 110 ARG H 4.000 . 5.000 4.046 3.714 4.421 . 0 0 "[ . 1 . 2]" 2
369 1 15 ASP H 1 108 ARG H 4.000 . 5.000 3.170 2.999 3.465 . 0 0 "[ . 1 . 2]" 2
370 1 17 VAL H 1 107 VAL HA 4.000 . 5.000 3.872 3.562 4.124 . 0 0 "[ . 1 . 2]" 2
371 1 17 VAL H 1 105 ARG HA 4.000 . 5.000 3.757 3.456 3.938 . 0 0 "[ . 1 . 2]" 2
372 1 17 VAL H 1 105 ARG HG2 4.000 . 5.000 3.807 3.408 4.130 . 0 0 "[ . 1 . 2]" 2
373 1 59 GLU H 1 110 ARG HA 4.000 . 5.000 2.531 1.778 3.349 0.022 16 0 "[ . 1 . 2]" 2
374 1 60 ASP H 1 109 LYS H 4.000 . 5.000 4.089 3.587 4.541 . 0 0 "[ . 1 . 2]" 2
375 1 78 TYR H 1 94 ALA H 4.000 . 5.000 4.341 3.542 5.085 0.085 17 0 "[ . 1 . 2]" 2
376 1 20 ASN H 1 35 THR HA 4.000 . 5.000 3.088 2.617 3.438 . 0 0 "[ . 1 . 2]" 2
377 1 23 ARG H 1 100 THR HA 4.000 . 5.000 3.120 2.827 3.560 . 0 0 "[ . 1 . 2]" 2
378 1 57 GLU H 1 112 LYS HA 4.000 . 5.000 2.949 2.605 3.323 . 0 0 "[ . 1 . 2]" 2
379 1 21 GLU H 1 103 ARG HA 4.000 . 5.000 3.787 3.379 4.155 . 0 0 "[ . 1 . 2]" 2
380 1 16 GLU HA 1 108 ARG H 4.000 . 5.000 3.269 3.170 3.353 . 0 0 "[ . 1 . 2]" 2
381 1 57 GLU H 1 113 ASP H 4.000 . 5.000 4.935 4.679 5.060 0.060 17 0 "[ . 1 . 2]" 2
382 1 60 ASP H 1 110 ARG HA 4.000 . 5.000 3.774 3.318 4.185 . 0 0 "[ . 1 . 2]" 2
383 1 77 GLU H 1 104 ARG HB2 4.000 . 5.000 5.087 4.967 5.177 0.177 9 0 "[ . 1 . 2]" 2
384 1 20 ASN HA 1 104 ARG H 4.000 . 5.000 4.164 3.824 4.498 . 0 0 "[ . 1 . 2]" 2
385 1 16 GLU HA 1 106 LEU H 4.000 . 5.000 4.548 4.222 4.805 . 0 0 "[ . 1 . 2]" 2
386 1 60 ASP HB2 1 109 LYS H 4.000 . 5.000 2.420 1.774 3.067 0.026 3 0 "[ . 1 . 2]" 2
387 1 60 ASP HB3 1 109 LYS H 4.000 . 5.000 3.231 2.500 3.910 . 0 0 "[ . 1 . 2]" 2
388 1 16 GLU HB2 1 108 ARG H 4.000 . 5.000 5.137 4.972 5.226 0.226 8 0 "[ . 1 . 2]" 2
389 1 14 THR HA 1 110 ARG H 4.000 . 5.000 3.168 2.857 3.503 . 0 0 "[ . 1 . 2]" 2
390 1 11 THR H 1 114 LEU H 4.000 . 5.000 4.014 2.808 5.104 0.104 14 0 "[ . 1 . 2]" 2
391 1 15 ASP H 1 109 LYS HA 4.000 . 5.000 2.429 1.804 2.885 . 0 0 "[ . 1 . 2]" 2
392 1 13 PHE H 1 112 LYS H 4.000 . 5.000 5.077 4.924 5.247 0.247 15 0 "[ . 1 . 2]" 2
393 1 13 PHE H 1 109 LYS HA 4.000 . 5.000 4.828 4.357 5.090 0.090 1 0 "[ . 1 . 2]" 2
394 1 14 THR H 1 109 LYS HA 4.000 . 5.000 4.496 4.378 4.702 . 0 0 "[ . 1 . 2]" 2
395 1 15 ASP H 1 107 VAL HA 4.000 . 5.000 4.726 4.411 4.924 . 0 0 "[ . 1 . 2]" 2
396 1 15 ASP H 1 58 TRP HZ3 4.000 . 5.000 4.071 3.626 4.607 . 0 0 "[ . 1 . 2]" 2
397 1 19 GLN H 1 103 ARG HA 4.000 . 5.000 4.128 3.524 5.040 0.040 14 0 "[ . 1 . 2]" 2
398 1 19 GLN H 1 105 ARG HA 4.000 . 5.000 4.090 3.645 4.404 . 0 0 "[ . 1 . 2]" 2
399 1 19 GLN H 1 106 LEU HG 4.000 . 5.000 3.887 3.010 4.444 . 0 0 "[ . 1 . 2]" 2
400 1 19 GLN H 1 104 ARG HG3 4.000 . 5.000 3.307 2.990 3.687 . 0 0 "[ . 1 . 2]" 2
401 1 21 GLU H 1 76 TRP HZ3 4.000 . 5.000 3.641 2.986 4.255 . 0 0 "[ . 1 . 2]" 2
402 1 22 SER H 1 30 LYS H 4.000 . 5.000 2.416 2.123 2.770 . 0 0 "[ . 1 . 2]" 2
403 1 22 SER H 1 29 TRP HA 4.000 . 5.000 3.528 3.206 3.949 . 0 0 "[ . 1 . 2]" 2
404 1 22 SER H 1 31 PRO HA 4.000 . 5.000 4.198 3.639 4.576 . 0 0 "[ . 1 . 2]" 2
405 1 22 SER H 1 29 TRP HZ3 4.000 . 5.000 4.802 4.463 5.033 0.033 8 0 "[ . 1 . 2]" 2
406 1 22 SER H 1 29 TRP HE3 4.000 . 5.000 3.005 2.794 3.237 . 0 0 "[ . 1 . 2]" 2
407 1 23 ARG H 1 29 TRP HE3 4.000 . 5.000 3.275 2.900 3.637 . 0 0 "[ . 1 . 2]" 2
408 1 23 ARG H 1 29 TRP HZ3 4.000 . 5.000 3.127 2.849 3.478 . 0 0 "[ . 1 . 2]" 2
409 1 23 ARG H 1 100 THR HB 4.000 . 5.000 4.460 3.596 5.032 0.032 15 0 "[ . 1 . 2]" 2
410 1 21 GLU HB3 1 29 TRP H 4.000 . 5.000 5.189 5.109 5.250 0.250 19 0 "[ . 1 . 2]" 2
411 1 29 TRP HE1 1 102 ARG HD3 4.000 . 5.000 4.006 3.384 5.113 0.113 15 0 "[ . 1 . 2]" 2
412 1 23 ARG HD3 1 29 TRP HE1 4.000 . 5.000 3.497 3.254 3.843 . 0 0 "[ . 1 . 2]" 2
413 1 29 TRP HE1 1 102 ARG HD2 4.000 . 5.000 4.730 3.718 5.078 0.078 7 0 "[ . 1 . 2]" 2
414 1 23 ARG HD2 1 29 TRP HE1 4.000 . 5.000 5.031 4.850 5.124 0.124 8 0 "[ . 1 . 2]" 2
415 1 23 ARG HA 1 30 LYS H 4.000 . 5.000 4.160 3.865 4.499 . 0 0 "[ . 1 . 2]" 2
416 1 23 ARG HB3 1 30 LYS H 4.000 . 5.000 3.970 3.713 4.335 . 0 0 "[ . 1 . 2]" 2
417 1 20 ASN HB2 1 32 ALA H 4.000 . 5.000 4.318 3.605 5.098 0.098 17 0 "[ . 1 . 2]" 2
418 1 19 GLN HA 1 37 THR H 4.000 . 5.000 4.171 3.534 4.733 . 0 0 "[ . 1 . 2]" 2
419 1 17 VAL HA 1 37 THR H 4.000 . 5.000 4.658 3.878 5.068 0.068 18 0 "[ . 1 . 2]" 2
420 1 18 TYR HB2 1 37 THR H 4.000 . 5.000 3.223 2.788 3.713 . 0 0 "[ . 1 . 2]" 2
421 1 18 TYR HB3 1 37 THR H 4.000 . 5.000 4.368 3.946 4.829 . 0 0 "[ . 1 . 2]" 2
422 1 52 CYS H 1 58 TRP HZ2 4.000 . 5.000 4.261 3.763 4.746 . 0 0 "[ . 1 . 2]" 2
423 1 37 THR HA 1 43 LYS H 4.000 . 5.000 4.218 3.972 4.649 . 0 0 "[ . 1 . 2]" 2
424 1 36 TYR HB3 1 44 ALA H 4.000 . 5.000 4.066 3.669 4.570 . 0 0 "[ . 1 . 2]" 2
425 1 34 ASP HB3 1 44 ALA H 4.000 . 5.000 4.719 4.174 5.038 0.038 12 0 "[ . 1 . 2]" 2
426 1 50 LEU H 1 63 TRP HZ2 4.000 . 5.000 5.079 4.942 5.130 0.130 13 0 "[ . 1 . 2]" 2
427 1 57 GLU H 1 111 LYS HG2 4.000 . 5.000 4.963 3.959 5.187 0.187 2 0 "[ . 1 . 2]" 2
428 1 57 GLU H 1 110 ARG HB2 4.000 . 5.000 3.852 3.616 4.095 . 0 0 "[ . 1 . 2]" 2
429 1 76 TRP HE1 1 104 ARG HD2 4.000 . 5.000 5.044 5.005 5.091 0.091 16 0 "[ . 1 . 2]" 2
430 1 58 TRP H 1 116 GLN HE22 4.000 . 5.000 5.026 4.638 5.155 0.155 13 0 "[ . 1 . 2]" 2
431 1 62 ALA H 1 108 ARG HE 4.000 . 5.000 4.006 2.904 5.156 0.156 18 0 "[ . 1 . 2]" 2
432 1 62 ALA H 1 108 ARG HD2 4.000 . 5.000 3.256 2.690 3.501 . 0 0 "[ . 1 . 2]" 2
433 1 64 SER H 1 108 ARG HD3 4.000 . 5.000 5.061 4.980 5.170 0.170 14 0 "[ . 1 . 2]" 2
434 1 64 SER H 1 106 LEU HB2 4.000 . 5.000 5.071 5.020 5.157 0.157 3 0 "[ . 1 . 2]" 2
435 1 64 SER H 1 106 LEU HB3 4.000 . 5.000 3.575 3.434 3.913 . 0 0 "[ . 1 . 2]" 2
436 1 64 SER H 1 108 ARG HA 4.000 . 5.000 4.533 4.315 4.867 . 0 0 "[ . 1 . 2]" 2
437 1 66 ASP H 1 105 ARG HB2 4.000 . 5.000 4.962 4.802 5.048 0.048 10 0 "[ . 1 . 2]" 2
438 1 66 ASP H 1 105 ARG HB3 4.000 . 5.000 3.308 3.154 3.393 . 0 0 "[ . 1 . 2]" 2
439 1 66 ASP H 1 105 ARG HD2 4.000 . 5.000 4.351 4.078 4.777 . 0 0 "[ . 1 . 2]" 2
440 1 72 ASP H 1 93 ALA HA 4.000 . 5.000 3.324 2.687 4.476 . 0 0 "[ . 1 . 2]" 2
441 1 77 GLU H 1 102 ARG HA 4.000 . 5.000 4.210 3.908 4.892 . 0 0 "[ . 1 . 2]" 2
442 1 78 TYR H 1 91 TRP HE3 4.000 . 5.000 3.432 2.985 3.710 . 0 0 "[ . 1 . 2]" 2
443 1 78 TYR H 1 91 TRP HB3 4.000 . 5.000 3.593 3.531 3.701 . 0 0 "[ . 1 . 2]" 2
444 1 78 TYR H 1 91 TRP HB2 4.000 . 5.000 5.062 5.025 5.103 0.103 10 0 "[ . 1 . 2]" 2
445 1 79 GLY H 1 91 TRP HE3 4.000 . 5.000 3.728 3.269 4.275 . 0 0 "[ . 1 . 2]" 2
446 1 80 ILE H 1 88 PRO HA 4.000 . 5.000 3.912 3.157 4.407 . 0 0 "[ . 1 . 2]" 2
447 1 80 ILE H 1 88 PRO HB3 4.000 . 5.000 2.602 1.920 3.091 . 0 0 "[ . 1 . 2]" 2
448 1 63 TRP HE1 1 108 ARG HD2 4.000 . 5.000 4.965 4.283 5.093 0.093 2 0 "[ . 1 . 2]" 2
449 1 77 GLU HB2 1 92 VAL H 4.000 . 5.000 3.689 2.740 5.017 0.017 13 0 "[ . 1 . 2]" 2
450 1 80 ILE HA 1 100 THR H 4.000 . 5.000 2.531 1.743 3.601 0.057 15 0 "[ . 1 . 2]" 2
451 1 80 ILE HB 1 100 THR H 4.000 . 5.000 3.815 2.761 4.885 . 0 0 "[ . 1 . 2]" 2
452 1 29 TRP HH2 1 102 ARG H 4.000 . 5.000 4.159 3.702 4.579 . 0 0 "[ . 1 . 2]" 2
453 1 29 TRP HZ3 1 102 ARG H 4.000 . 5.000 2.879 2.503 3.205 . 0 0 "[ . 1 . 2]" 2
454 1 91 TRP HE3 1 103 ARG H 4.000 . 5.000 3.907 3.468 4.413 . 0 0 "[ . 1 . 2]" 2
455 1 91 TRP HH2 1 103 ARG H 4.000 . 5.000 4.837 4.313 5.066 0.066 3 0 "[ . 1 . 2]" 2
456 1 91 TRP HZ3 1 103 ARG H 4.000 . 5.000 2.848 2.470 3.062 . 0 0 "[ . 1 . 2]" 2
457 1 76 TRP HA 1 103 ARG H 4.000 . 5.000 3.872 3.371 4.660 . 0 0 "[ . 1 . 2]" 2
458 1 77 GLU HG3 1 103 ARG H 4.000 . 5.000 3.366 2.752 3.972 . 0 0 "[ . 1 . 2]" 2
459 1 77 GLU HG2 1 103 ARG H 4.000 . 5.000 4.166 2.676 5.194 0.194 7 0 "[ . 1 . 2]" 2
460 1 20 ASN H 1 104 ARG H 4.000 . 5.000 5.096 5.045 5.170 0.170 2 0 "[ . 1 . 2]" 2
461 1 76 TRP HZ3 1 104 ARG H 4.000 . 5.000 3.805 3.051 4.644 . 0 0 "[ . 1 . 2]" 2
462 1 19 GLN HB2 1 104 ARG H 4.000 . 5.000 4.379 3.020 5.084 0.084 1 0 "[ . 1 . 2]" 2
463 1 19 GLN HB3 1 104 ARG H 4.000 . 5.000 3.689 3.026 5.114 0.114 14 0 "[ . 1 . 2]" 2
464 1 65 TYR HB2 1 105 ARG H 4.000 . 5.000 4.732 4.284 5.036 0.036 6 0 "[ . 1 . 2]" 2
465 1 63 TRP HB3 1 106 LEU H 4.000 . 5.000 5.001 4.689 5.143 0.143 14 0 "[ . 1 . 2]" 2
466 1 63 TRP HE3 1 107 VAL H 4.000 . 5.000 3.961 3.716 4.433 . 0 0 "[ . 1 . 2]" 2
467 1 63 TRP HA 1 107 VAL H 4.000 . 5.000 3.680 3.374 4.039 . 0 0 "[ . 1 . 2]" 2
468 1 63 TRP HB2 1 107 VAL H 4.000 . 5.000 5.117 5.070 5.166 0.166 16 0 "[ . 1 . 2]" 2
469 1 17 VAL H 1 108 ARG H 4.000 . 5.000 5.098 5.013 5.200 0.200 14 0 "[ . 1 . 2]" 2
470 1 63 TRP HE3 1 108 ARG H 4.000 . 5.000 3.643 3.130 3.865 . 0 0 "[ . 1 . 2]" 2
471 1 63 TRP HZ3 1 108 ARG H 4.000 . 5.000 3.720 2.995 4.052 . 0 0 "[ . 1 . 2]" 2
472 1 58 TRP HE3 1 109 LYS H 4.000 . 5.000 4.869 4.555 5.101 0.101 4 0 "[ . 1 . 2]" 2
473 1 60 ASP HA 1 109 LYS H 4.000 . 5.000 4.832 4.189 5.157 0.157 13 0 "[ . 1 . 2]" 2
474 1 12 GLU HG2 1 110 ARG H 4.000 . 5.000 5.182 5.125 5.275 0.275 12 0 "[ . 1 . 2]" 2
475 1 58 TRP HZ3 1 110 ARG H 4.000 . 5.000 4.587 4.244 4.908 . 0 0 "[ . 1 . 2]" 2
476 1 58 TRP HE3 1 110 ARG H 4.000 . 5.000 4.753 4.532 4.978 . 0 0 "[ . 1 . 2]" 2
477 1 58 TRP HA 1 111 LYS H 4.000 . 5.000 3.454 2.904 4.177 . 0 0 "[ . 1 . 2]" 2
478 1 56 TRP HA 1 111 LYS H 4.000 . 5.000 4.686 4.208 5.049 0.049 18 0 "[ . 1 . 2]" 2
479 1 56 TRP HE3 1 111 LYS H 4.000 . 5.000 3.014 2.439 3.316 . 0 0 "[ . 1 . 2]" 2
480 1 58 TRP HE3 1 111 LYS H 4.000 . 5.000 4.811 4.532 5.040 0.040 9 0 "[ . 1 . 2]" 2
481 1 56 TRP HH2 1 112 LYS H 4.000 . 5.000 4.105 3.884 4.466 . 0 0 "[ . 1 . 2]" 2
482 1 56 TRP HE3 1 112 LYS H 4.000 . 5.000 3.533 3.219 3.895 . 0 0 "[ . 1 . 2]" 2
483 1 11 THR HB 1 112 LYS H 4.000 . 5.000 3.259 2.901 3.671 . 0 0 "[ . 1 . 2]" 2
484 1 11 THR HB 1 113 ASP H 4.000 . 5.000 4.540 3.850 5.058 0.058 8 0 "[ . 1 . 2]" 2
485 1 57 GLU HB3 1 113 ASP H 4.000 . 5.000 4.355 4.074 5.169 0.169 13 0 "[ . 1 . 2]" 2
486 1 10 HIS HA 1 114 LEU H 4.000 . 5.000 3.727 2.866 4.691 . 0 0 "[ . 1 . 2]" 2
487 1 16 GLU H 1 63 TRP HZ3 4.000 . 5.000 3.205 2.727 3.615 . 0 0 "[ . 1 . 2]" 2
488 1 19 GLN HB2 1 104 ARG HE 4.000 . 5.000 3.705 2.350 4.683 . 0 0 "[ . 1 . 2]" 2
489 1 76 TRP HH2 1 104 ARG HE 4.000 . 5.000 2.855 2.509 3.400 . 0 0 "[ . 1 . 2]" 2
490 1 23 ARG HE 1 97 MET HA 4.000 . 5.000 4.491 3.705 5.000 0.000 14 0 "[ . 1 . 2]" 2
491 1 23 ARG HE 1 100 THR HA 4.000 . 5.000 3.965 2.752 5.000 0.000 10 0 "[ . 1 . 2]" 2
492 1 23 ARG HE 1 29 TRP HZ3 4.000 . 5.000 4.757 4.338 5.060 0.060 7 0 "[ . 1 . 2]" 2
493 1 23 ARG HE 1 29 TRP HH2 4.000 . 5.000 3.670 3.171 4.152 . 0 0 "[ . 1 . 2]" 2
494 1 23 ARG HE 1 29 TRP HZ2 4.000 . 5.000 3.430 2.339 4.221 . 0 0 "[ . 1 . 2]" 2
495 1 18 TYR HB3 1 103 ARG HE 4.000 . 5.000 3.586 2.570 4.972 . 0 0 "[ . 1 . 2]" 2
496 1 20 ASN HA 1 103 ARG HE 4.000 . 5.000 4.518 4.121 5.310 0.310 6 0 "[ . 1 . 2]" 2
497 1 16 GLU HB3 1 105 ARG HE 4.000 . 5.000 3.821 3.359 4.232 . 0 0 "[ . 1 . 2]" 2
498 1 16 GLU HG3 1 105 ARG HE 4.000 . 5.000 3.841 3.555 4.182 . 0 0 "[ . 1 . 2]" 2
499 1 16 GLU HG2 1 105 ARG HE 4.000 . 5.000 4.592 2.870 5.026 0.026 4 0 "[ . 1 . 2]" 2
500 1 16 GLU HA 1 105 ARG HE 4.000 . 5.000 5.141 5.051 5.210 0.210 9 0 "[ . 1 . 2]" 2
501 1 56 TRP HZ3 1 110 ARG HE 4.000 . 5.000 5.035 4.879 5.119 0.119 7 0 "[ . 1 . 2]" 2
502 1 56 TRP HB3 1 110 ARG HE 4.000 . 5.000 2.215 1.932 2.402 . 0 0 "[ . 1 . 2]" 2
503 1 19 GLN HE22 1 76 TRP HH2 4.000 . 5.000 3.859 2.087 5.047 0.047 8 0 "[ . 1 . 2]" 2
504 1 19 GLN HE21 1 76 TRP HH2 4.000 . 5.000 3.776 1.789 5.168 0.168 19 0 "[ . 1 . 2]" 2
505 1 19 GLN HE21 1 104 ARG HG3 4.000 . 5.000 4.890 4.455 5.141 0.141 12 0 "[ . 1 . 2]" 2
506 1 19 GLN HE22 1 104 ARG HG3 4.000 . 5.000 5.069 4.853 5.123 0.123 17 0 "[ . 1 . 2]" 2
507 1 14 THR H 1 109 LYS HG2 4.000 . 5.000 3.613 3.082 4.689 . 0 0 "[ . 1 . 2]" 2
508 1 17 VAL H 1 106 LEU HB2 4.000 . 5.000 3.554 3.122 3.908 . 0 0 "[ . 1 . 2]" 2
509 1 18 TYR H 1 36 TYR HA 4.000 . 5.000 4.094 3.398 4.948 . 0 0 "[ . 1 . 2]" 2
510 1 22 SER H 1 29 TRP HB2 4.000 . 5.000 4.907 4.593 5.076 0.076 8 0 "[ . 1 . 2]" 2
511 1 34 ASP HB3 1 43 LYS H 4.000 . 5.000 4.385 3.872 5.037 0.037 15 0 "[ . 1 . 2]" 2
512 1 51 THR H 1 58 TRP HZ2 4.000 . 5.000 4.097 3.596 4.705 . 0 0 "[ . 1 . 2]" 2
513 1 59 GLU H 1 110 ARG HB3 4.000 . 5.000 4.333 3.713 4.742 . 0 0 "[ . 1 . 2]" 2
514 1 77 GLU H 1 102 ARG HD2 4.000 . 5.000 4.934 4.251 5.213 0.213 17 0 "[ . 1 . 2]" 2
515 1 63 TRP HA 1 108 ARG H 4.000 . 5.000 4.661 4.323 5.044 0.044 16 0 "[ . 1 . 2]" 2
516 1 13 PHE H 1 109 LYS HG2 4.000 . 5.000 4.416 3.818 5.138 0.138 5 0 "[ . 1 . 2]" 2
517 1 12 GLU H 1 56 TRP HH2 4.000 . 5.000 4.182 3.562 4.682 . 0 0 "[ . 1 . 2]" 2
518 1 52 CYS H 1 58 TRP HE1 4.000 . 5.000 2.550 2.197 3.258 . 0 0 "[ . 1 . 2]" 2
519 1 80 ILE HA 1 101 HIS H 4.000 . 5.000 3.023 2.575 3.452 . 0 0 "[ . 1 . 2]" 2
520 1 29 TRP HZ3 1 101 HIS H 4.000 . 5.000 3.234 2.791 3.552 . 0 0 "[ . 1 . 2]" 2
521 1 23 ARG HG3 1 101 HIS H 4.000 . 5.000 5.151 5.105 5.204 0.204 20 0 "[ . 1 . 2]" 2
522 1 52 CYS HB3 1 58 TRP HE1 4.000 . 5.000 2.576 2.141 3.072 . 0 0 "[ . 1 . 2]" 2
523 1 52 CYS HB2 1 58 TRP HE1 4.000 . 5.000 4.186 3.794 4.729 . 0 0 "[ . 1 . 2]" 2
524 1 80 ILE H 1 88 PRO HG2 4.000 . 5.000 4.676 4.016 5.081 0.081 17 0 "[ . 1 . 2]" 2
525 1 80 ILE H 1 88 PRO HB2 4.000 . 5.000 4.243 3.597 4.839 . 0 0 "[ . 1 . 2]" 2
stop_
save_
save_distance_constraint_statistics_3
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 3
_Distance_constraint_stats_list.Constraint_count 169
_Distance_constraint_stats_list.Viol_count 589
_Distance_constraint_stats_list.Viol_total 853.242
_Distance_constraint_stats_list.Viol_max 0.356
_Distance_constraint_stats_list.Viol_rms 0.0376
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0126
_Distance_constraint_stats_list.Viol_average_violations_only 0.0724
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 7 ASP 0.372 0.119 15 0 "[ . 1 . 2]"
1 8 ALA 0.115 0.039 12 0 "[ . 1 . 2]"
1 10 HIS 2.757 0.182 20 0 "[ . 1 . 2]"
1 12 GLU 2.270 0.182 20 0 "[ . 1 . 2]"
1 23 ARG 2.199 0.236 10 0 "[ . 1 . 2]"
1 24 TYR 1.267 0.081 15 0 "[ . 1 . 2]"
1 25 PRO 0.044 0.035 14 0 "[ . 1 . 2]"
1 27 GLY 3.510 0.236 10 0 "[ . 1 . 2]"
1 28 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 32 ALA 0.157 0.114 20 0 "[ . 1 . 2]"
1 33 GLU 0.185 0.110 15 0 "[ . 1 . 2]"
1 34 ASP 0.188 0.114 20 0 "[ . 1 . 2]"
1 35 THR 0.185 0.110 15 0 "[ . 1 . 2]"
1 36 TYR 0.031 0.031 6 0 "[ . 1 . 2]"
1 37 THR 3.069 0.203 17 0 "[ . 1 . 2]"
1 38 ASP 0.044 0.044 12 0 "[ . 1 . 2]"
1 39 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 40 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 41 GLY 5.310 0.301 9 0 "[ . 1 . 2]"
1 42 ASP 0.557 0.069 6 0 "[ . 1 . 2]"
1 43 LYS 2.962 0.301 9 0 "[ . 1 . 2]"
1 45 ALA 0.208 0.145 5 0 "[ . 1 . 2]"
1 46 SER 0.623 0.150 8 0 "[ . 1 . 2]"
1 47 PRO 1.810 0.147 3 0 "[ . 1 . 2]"
1 48 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 49 GLU 0.337 0.150 8 0 "[ . 1 . 2]"
1 50 LEU 2.096 0.147 3 0 "[ . 1 . 2]"
1 52 CYS 0.662 0.102 16 0 "[ . 1 . 2]"
1 53 PRO 5.701 0.199 9 0 "[ . 1 . 2]"
1 54 PRO 0.301 0.134 4 0 "[ . 1 . 2]"
1 56 TRP 6.664 0.199 9 0 "[ . 1 . 2]"
1 57 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 58 TRP 0.551 0.076 2 0 "[ . 1 . 2]"
1 60 ASP 0.979 0.109 18 0 "[ . 1 . 2]"
1 62 ALA 0.429 0.109 18 0 "[ . 1 . 2]"
1 67 ILE 0.017 0.017 5 0 "[ . 1 . 2]"
1 69 ARG 0.316 0.046 11 0 "[ . 1 . 2]"
1 71 VAL 1.523 0.123 6 0 "[ . 1 . 2]"
1 72 ASP 0.098 0.084 5 0 "[ . 1 . 2]"
1 73 GLU 0.003 0.003 18 0 "[ . 1 . 2]"
1 74 LYS 0.497 0.075 15 0 "[ . 1 . 2]"
1 75 GLY 1.193 0.123 6 0 "[ . 1 . 2]"
1 76 TRP 0.595 0.084 5 0 "[ . 1 . 2]"
1 83 PRO 0.287 0.052 19 0 "[ . 1 . 2]"
1 85 ASP 0.287 0.052 19 0 "[ . 1 . 2]"
1 87 LYS 0.161 0.069 1 0 "[ . 1 . 2]"
1 88 PRO 0.673 0.063 4 0 "[ . 1 . 2]"
1 89 LYS 0.069 0.069 1 0 "[ . 1 . 2]"
1 90 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 91 TRP 0.765 0.063 4 0 "[ . 1 . 2]"
1 92 VAL 0.390 0.080 20 0 "[ . 1 . 2]"
1 94 ALA 0.922 0.198 8 0 "[ . 1 . 2]"
1 95 GLU 2.524 0.240 13 0 "[ . 1 . 2]"
1 96 LYS 3.657 0.165 5 0 "[ . 1 . 2]"
1 97 MET 5.085 0.356 4 0 "[ . 1 . 2]"
1 98 TYR 1.698 0.165 5 0 "[ . 1 . 2]"
1 99 HIS 11.802 0.356 4 0 "[ . 1 . 2]"
1 101 HIS 1.702 0.254 14 0 "[ . 1 . 2]"
1 109 LYS 0.101 0.048 5 0 "[ . 1 . 2]"
1 111 LYS 0.101 0.048 5 0 "[ . 1 . 2]"
1 112 LYS 1.304 0.114 8 0 "[ . 1 . 2]"
1 113 ASP 0.167 0.072 5 0 "[ . 1 . 2]"
1 114 LEU 2.471 0.194 15 0 "[ . 1 . 2]"
1 115 THR 0.032 0.023 17 0 "[ . 1 . 2]"
1 116 GLN 1.302 0.194 15 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 47 PRO HA 1 50 LEU HA 5.000 . 6.000 5.027 4.685 5.843 . 0 0 "[ . 1 . 2]" 3
2 1 37 THR HA 1 41 GLY HA2 5.000 . 6.000 4.463 4.040 4.716 . 0 0 "[ . 1 . 2]" 3
3 1 37 THR HB 1 41 GLY HA2 5.000 . 6.000 2.176 1.781 2.648 0.019 3 0 "[ . 1 . 2]" 3
4 1 37 THR HA 1 41 GLY HA3 5.000 . 6.000 5.864 5.674 6.060 0.060 5 0 "[ . 1 . 2]" 3
5 1 53 PRO HB3 1 56 TRP HB3 5.000 . 6.000 6.081 6.063 6.107 0.107 11 0 "[ . 1 . 2]" 3
6 1 47 PRO HA 1 50 LEU HB2 5.000 . 6.000 2.171 1.843 3.439 . 0 0 "[ . 1 . 2]" 3
7 1 47 PRO HA 1 50 LEU HB3 5.000 . 6.000 3.486 3.297 3.669 . 0 0 "[ . 1 . 2]" 3
8 1 47 PRO HA 1 50 LEU HG 5.000 . 6.000 3.539 3.012 5.680 . 0 0 "[ . 1 . 2]" 3
9 1 10 HIS HD2 1 12 GLU HG2 5.000 . 6.000 5.998 5.620 6.130 0.130 12 0 "[ . 1 . 2]" 3
10 1 10 HIS HD2 1 12 GLU HG3 5.000 . 6.000 5.121 4.690 5.513 . 0 0 "[ . 1 . 2]" 3
11 1 7 ASP HA 1 10 HIS HD2 5.000 . 6.000 2.329 1.764 3.185 0.036 9 0 "[ . 1 . 2]" 3
12 1 43 LYS HD2 1 45 ALA HA 5.000 . 6.000 5.506 4.794 6.145 0.145 5 0 "[ . 1 . 2]" 3
13 1 46 SER HB2 1 49 GLU HA 5.000 . 6.000 5.559 4.668 6.150 0.150 8 0 "[ . 1 . 2]" 3
14 1 46 SER HB2 1 49 GLU HB2 5.000 . 6.000 3.778 2.508 4.523 . 0 0 "[ . 1 . 2]" 3
15 1 52 CYS HA 1 56 TRP HB2 5.000 . 6.000 3.852 3.591 4.186 . 0 0 "[ . 1 . 2]" 3
16 1 52 CYS HB3 1 56 TRP HB2 5.000 . 6.000 4.730 4.522 4.891 . 0 0 "[ . 1 . 2]" 3
17 1 52 CYS HB2 1 56 TRP HB2 5.000 . 6.000 3.570 3.219 3.712 . 0 0 "[ . 1 . 2]" 3
18 1 52 CYS HB3 1 57 GLU HA 5.000 . 6.000 3.941 2.948 4.594 . 0 0 "[ . 1 . 2]" 3
19 1 52 CYS HB2 1 57 GLU HA 5.000 . 6.000 3.435 2.517 4.028 . 0 0 "[ . 1 . 2]" 3
20 1 53 PRO HB2 1 56 TRP HB2 5.000 . 6.000 4.131 4.012 4.276 . 0 0 "[ . 1 . 2]" 3
21 1 53 PRO HB3 1 56 TRP HB2 5.000 . 6.000 4.511 4.425 4.620 . 0 0 "[ . 1 . 2]" 3
22 1 53 PRO HA 1 56 TRP HD1 5.000 . 6.000 5.687 5.336 5.961 . 0 0 "[ . 1 . 2]" 3
23 1 53 PRO HB2 1 56 TRP HD1 5.000 . 6.000 3.624 3.159 3.977 . 0 0 "[ . 1 . 2]" 3
24 1 53 PRO HB3 1 56 TRP HD1 5.000 . 6.000 4.425 4.035 4.797 . 0 0 "[ . 1 . 2]" 3
25 1 53 PRO HD3 1 56 TRP HA 5.000 . 6.000 6.140 6.088 6.199 0.199 9 0 "[ . 1 . 2]" 3
26 1 53 PRO HD3 1 56 TRP HB2 5.000 . 6.000 3.218 3.139 3.305 . 0 0 "[ . 1 . 2]" 3
27 1 53 PRO HG3 1 56 TRP HB2 5.000 . 6.000 2.886 2.687 3.124 . 0 0 "[ . 1 . 2]" 3
28 1 53 PRO HG2 1 56 TRP HB2 5.000 . 6.000 1.830 1.767 1.987 0.033 18 0 "[ . 1 . 2]" 3
29 1 58 TRP HZ3 1 60 ASP HB2 5.000 . 6.000 5.598 4.459 6.037 0.037 6 0 "[ . 1 . 2]" 3
30 1 67 ILE HA 1 71 VAL HB 5.000 . 6.000 4.401 4.138 4.724 . 0 0 "[ . 1 . 2]" 3
31 1 74 LYS HA 1 76 TRP HD1 5.000 . 6.000 4.745 4.356 4.966 . 0 0 "[ . 1 . 2]" 3
32 1 74 LYS HB3 1 76 TRP HD1 5.000 . 6.000 3.411 2.981 3.996 . 0 0 "[ . 1 . 2]" 3
33 1 74 LYS HB2 1 76 TRP HD1 5.000 . 6.000 1.916 1.726 2.302 0.074 17 0 "[ . 1 . 2]" 3
34 1 74 LYS HG2 1 76 TRP HD1 5.000 . 6.000 4.526 3.540 5.031 . 0 0 "[ . 1 . 2]" 3
35 1 74 LYS HG3 1 76 TRP HD1 5.000 . 6.000 3.893 3.521 4.249 . 0 0 "[ . 1 . 2]" 3
36 1 87 LYS HB3 1 89 LYS HA 5.000 . 6.000 5.085 4.144 6.069 0.069 1 0 "[ . 1 . 2]" 3
37 1 88 PRO HB3 1 91 TRP HZ2 5.000 . 6.000 4.161 3.629 4.381 . 0 0 "[ . 1 . 2]" 3
38 1 88 PRO HB2 1 91 TRP HZ2 5.000 . 6.000 2.540 1.955 2.867 . 0 0 "[ . 1 . 2]" 3
39 1 88 PRO HD2 1 91 TRP HZ2 5.000 . 6.000 3.188 2.294 3.896 . 0 0 "[ . 1 . 2]" 3
40 1 88 PRO HD3 1 91 TRP HZ2 5.000 . 6.000 4.776 3.903 5.447 . 0 0 "[ . 1 . 2]" 3
41 1 88 PRO HG3 1 91 TRP HZ2 5.000 . 6.000 4.725 4.167 5.180 . 0 0 "[ . 1 . 2]" 3
42 1 95 GLU HA 1 99 HIS HE1 5.000 . 6.000 2.258 1.654 5.500 0.146 2 0 "[ . 1 . 2]" 3
43 1 95 GLU HG2 1 99 HIS HB3 5.000 . 6.000 5.711 4.738 6.240 0.240 13 0 "[ . 1 . 2]" 3
44 1 112 LYS HB3 1 114 LEU HB3 5.000 . 6.000 5.483 5.273 5.919 . 0 0 "[ . 1 . 2]" 3
45 1 113 ASP HB2 1 116 GLN HB2 5.000 . 6.000 5.019 3.057 6.072 0.072 5 0 "[ . 1 . 2]" 3
46 1 52 CYS HB2 1 56 TRP HA 5.000 . 6.000 4.811 4.473 5.160 . 0 0 "[ . 1 . 2]" 3
47 1 52 CYS HA 1 56 TRP HB3 5.000 . 6.000 4.227 3.820 4.616 . 0 0 "[ . 1 . 2]" 3
48 1 53 PRO HG3 1 56 TRP HB3 5.000 . 6.000 4.262 4.157 4.389 . 0 0 "[ . 1 . 2]" 3
49 1 53 PRO HG3 1 56 TRP HA 5.000 . 6.000 5.676 5.340 5.904 . 0 0 "[ . 1 . 2]" 3
50 1 23 ARG HD3 1 27 GLY HA2 5.000 . 6.000 5.643 4.969 6.058 0.058 16 0 "[ . 1 . 2]" 3
51 1 112 LYS HB3 1 114 LEU HG 5.000 . 6.000 6.065 6.024 6.114 0.114 8 0 "[ . 1 . 2]" 3
52 1 53 PRO HD2 1 56 TRP HB2 5.000 . 6.000 1.754 1.721 1.778 0.079 9 0 "[ . 1 . 2]" 3
53 1 47 PRO HB3 1 50 LEU HB2 5.000 . 6.000 4.238 3.817 5.628 . 0 0 "[ . 1 . 2]" 3
54 1 47 PRO HB3 1 50 LEU HB3 5.000 . 6.000 5.330 4.990 5.627 . 0 0 "[ . 1 . 2]" 3
55 1 52 CYS HB2 1 56 TRP HD1 5.000 . 6.000 6.012 5.697 6.102 0.102 16 0 "[ . 1 . 2]" 3
56 1 53 PRO HD2 1 56 TRP HD1 5.000 . 6.000 3.780 3.566 3.989 . 0 0 "[ . 1 . 2]" 3
57 1 53 PRO HD3 1 56 TRP HD1 5.000 . 6.000 4.417 4.130 4.789 . 0 0 "[ . 1 . 2]" 3
58 1 8 ALA HA 1 10 HIS HD2 5.000 . 6.000 5.349 3.496 6.039 0.039 12 0 "[ . 1 . 2]" 3
59 1 7 ASP HA 1 10 HIS HB3 5.000 . 6.000 5.793 5.051 6.119 0.119 15 0 "[ . 1 . 2]" 3
60 1 7 ASP HA 1 10 HIS HB2 5.000 . 6.000 4.604 3.560 5.328 . 0 0 "[ . 1 . 2]" 3
61 1 24 TYR HB3 1 27 GLY HA3 5.000 . 6.000 4.839 4.600 5.092 . 0 0 "[ . 1 . 2]" 3
62 1 24 TYR HB2 1 27 GLY HA3 5.000 . 6.000 3.157 2.868 3.438 . 0 0 "[ . 1 . 2]" 3
63 1 24 TYR HB3 1 27 GLY HA2 5.000 . 6.000 6.037 5.938 6.081 0.081 15 0 "[ . 1 . 2]" 3
64 1 24 TYR HB2 1 27 GLY HA2 5.000 . 6.000 4.317 4.211 4.397 . 0 0 "[ . 1 . 2]" 3
65 1 34 ASP HB3 1 37 THR HA 5.000 . 6.000 4.815 4.292 5.549 . 0 0 "[ . 1 . 2]" 3
66 1 47 PRO HB2 1 50 LEU HB3 5.000 . 6.000 6.082 5.839 6.147 0.147 3 0 "[ . 1 . 2]" 3
67 1 47 PRO HB2 1 50 LEU HB2 5.000 . 6.000 4.701 4.528 6.002 0.002 12 0 "[ . 1 . 2]" 3
68 1 71 VAL HA 1 75 GLY HA3 5.000 . 6.000 6.059 6.010 6.123 0.123 6 0 "[ . 1 . 2]" 3
69 1 71 VAL HA 1 75 GLY HA2 5.000 . 6.000 4.568 4.371 4.654 . 0 0 "[ . 1 . 2]" 3
70 1 71 VAL HB 1 75 GLY HA3 5.000 . 6.000 3.613 3.506 3.680 . 0 0 "[ . 1 . 2]" 3
71 1 71 VAL HB 1 75 GLY HA2 5.000 . 6.000 2.111 1.882 2.228 . 0 0 "[ . 1 . 2]" 3
72 1 53 PRO HG3 1 56 TRP HD1 5.000 . 6.000 2.582 2.135 3.056 . 0 0 "[ . 1 . 2]" 3
73 1 53 PRO HG2 1 56 TRP HD1 5.000 . 6.000 2.061 1.750 2.357 0.050 9 0 "[ . 1 . 2]" 3
74 1 87 LYS HA 1 91 TRP HZ2 5.000 . 6.000 5.554 4.884 6.043 0.043 7 0 "[ . 1 . 2]" 3
75 1 96 LYS HG2 1 99 HIS HE1 5.000 . 6.000 5.605 3.896 6.064 0.064 2 0 "[ . 1 . 2]" 3
76 1 96 LYS HG3 1 99 HIS HE1 5.000 . 6.000 4.221 3.289 5.018 . 0 0 "[ . 1 . 2]" 3
77 1 88 PRO HG3 1 91 TRP HH2 5.000 . 6.000 4.406 3.644 4.971 . 0 0 "[ . 1 . 2]" 3
78 1 88 PRO HG2 1 91 TRP HH2 5.000 . 6.000 2.708 2.219 3.271 . 0 0 "[ . 1 . 2]" 3
79 1 112 LYS HG3 1 114 LEU HA 5.000 . 6.000 4.694 3.997 5.811 . 0 0 "[ . 1 . 2]" 3
80 1 112 LYS HG2 1 114 LEU HA 5.000 . 6.000 3.186 2.330 5.315 . 0 0 "[ . 1 . 2]" 3
81 1 96 LYS HA 1 99 HIS HE1 5.000 . 6.000 5.150 4.799 5.811 . 0 0 "[ . 1 . 2]" 3
82 1 96 LYS HB2 1 99 HIS HE1 5.000 . 6.000 3.877 3.259 6.028 0.028 20 0 "[ . 1 . 2]" 3
83 1 96 LYS HB3 1 99 HIS HE1 5.000 . 6.000 5.391 4.703 6.044 0.044 13 0 "[ . 1 . 2]" 3
84 1 96 LYS HD2 1 99 HIS HE1 5.000 . 6.000 5.075 4.491 6.107 0.107 20 0 "[ . 1 . 2]" 3
85 1 96 LYS HD3 1 99 HIS HE1 5.000 . 6.000 5.770 4.224 6.119 0.119 9 0 "[ . 1 . 2]" 3
86 1 95 GLU HG3 1 99 HIS HB3 5.000 . 6.000 5.780 4.943 6.156 0.156 10 0 "[ . 1 . 2]" 3
87 1 45 ALA HA 1 49 GLU HB2 5.000 . 6.000 4.138 3.126 5.405 . 0 0 "[ . 1 . 2]" 3
88 1 45 ALA HA 1 49 GLU HB3 5.000 . 6.000 4.279 3.683 5.054 . 0 0 "[ . 1 . 2]" 3
89 1 109 LYS HD2 1 111 LYS H 4.000 . 5.000 4.769 4.345 5.048 0.048 5 0 "[ . 1 . 2]" 3
90 1 38 ASP HB3 1 40 ASN H 4.000 . 5.000 3.173 2.724 4.228 . 0 0 "[ . 1 . 2]" 3
91 1 38 ASP HA 1 40 ASN H 4.000 . 5.000 4.380 4.206 4.735 . 0 0 "[ . 1 . 2]" 3
92 1 69 ARG H 1 71 VAL H 4.000 . 5.000 4.031 3.831 4.165 . 0 0 "[ . 1 . 2]" 3
93 1 72 ASP HB2 1 74 LYS H 4.000 . 5.000 4.343 4.190 4.522 . 0 0 "[ . 1 . 2]" 3
94 1 72 ASP H 1 76 TRP H 4.000 . 5.000 3.570 1.716 4.598 0.084 5 0 "[ . 1 . 2]" 3
95 1 88 PRO HB3 1 90 SER H 4.000 . 5.000 3.723 3.173 4.627 . 0 0 "[ . 1 . 2]" 3
96 1 96 LYS HB2 1 98 TYR H 4.000 . 5.000 3.653 2.445 4.518 . 0 0 "[ . 1 . 2]" 3
97 1 96 LYS HB3 1 98 TYR H 4.000 . 5.000 2.912 2.579 4.503 . 0 0 "[ . 1 . 2]" 3
98 1 96 LYS HG2 1 98 TYR H 4.000 . 5.000 5.060 4.657 5.165 0.165 5 0 "[ . 1 . 2]" 3
99 1 97 MET HA 1 99 HIS H 4.000 . 5.000 3.449 2.946 3.872 . 0 0 "[ . 1 . 2]" 3
100 1 99 HIS HB2 1 101 HIS H 4.000 . 5.000 4.985 3.218 5.254 0.254 14 0 "[ . 1 . 2]" 3
101 1 34 ASP HA 1 36 TYR H 4.000 . 5.000 4.324 3.868 4.773 . 0 0 "[ . 1 . 2]" 3
102 1 60 ASP HB3 1 62 ALA H 4.000 . 5.000 3.719 2.550 5.045 0.045 1 0 "[ . 1 . 2]" 3
103 1 60 ASP HB2 1 62 ALA H 4.000 . 5.000 4.810 4.088 5.109 0.109 18 0 "[ . 1 . 2]" 3
104 1 88 PRO HA 1 90 SER H 4.000 . 5.000 3.723 3.326 4.486 . 0 0 "[ . 1 . 2]" 3
105 1 92 VAL HB 1 94 ALA H 4.000 . 5.000 3.618 2.446 5.080 0.080 20 0 "[ . 1 . 2]" 3
106 1 54 PRO HA 1 56 TRP H 4.000 . 5.000 3.976 3.496 5.134 0.134 4 0 "[ . 1 . 2]" 3
107 1 38 ASP H 1 42 ASP H 4.000 . 5.000 3.040 1.805 3.363 . 0 0 "[ . 1 . 2]" 3
108 1 38 ASP H 1 41 GLY H 4.000 . 5.000 3.039 2.760 3.480 . 0 0 "[ . 1 . 2]" 3
109 1 38 ASP H 1 41 GLY HA2 4.000 . 5.000 3.459 2.994 3.749 . 0 0 "[ . 1 . 2]" 3
110 1 39 ALA HA 1 41 GLY H 4.000 . 5.000 4.115 3.652 4.945 . 0 0 "[ . 1 . 2]" 3
111 1 37 THR HA 1 41 GLY H 4.000 . 5.000 5.122 5.030 5.203 0.203 17 0 "[ . 1 . 2]" 3
112 1 37 THR HA 1 42 ASP H 4.000 . 5.000 4.805 3.543 5.069 0.069 6 0 "[ . 1 . 2]" 3
113 1 38 ASP H 1 43 LYS HA 4.000 . 5.000 4.126 3.761 4.732 . 0 0 "[ . 1 . 2]" 3
114 1 92 VAL H 1 94 ALA H 4.000 . 5.000 4.712 4.286 5.072 0.072 18 0 "[ . 1 . 2]" 3
115 1 72 ASP H 1 75 GLY H 4.000 . 5.000 3.820 2.825 4.496 . 0 0 "[ . 1 . 2]" 3
116 1 41 GLY HA3 1 43 LYS H 4.000 . 5.000 5.138 5.074 5.301 0.301 9 0 "[ . 1 . 2]" 3
117 1 47 PRO HA 1 50 LEU H 4.000 . 5.000 3.395 3.136 3.915 . 0 0 "[ . 1 . 2]" 3
118 1 58 TRP HB2 1 60 ASP H 4.000 . 5.000 4.981 4.830 5.076 0.076 2 0 "[ . 1 . 2]" 3
119 1 58 TRP HB3 1 60 ASP H 4.000 . 5.000 3.579 3.381 3.762 . 0 0 "[ . 1 . 2]" 3
120 1 73 GLU H 1 75 GLY H 4.000 . 5.000 3.959 3.633 4.243 . 0 0 "[ . 1 . 2]" 3
121 1 114 LEU HB3 1 116 GLN H 4.000 . 5.000 5.047 4.855 5.194 0.194 15 0 "[ . 1 . 2]" 3
122 1 24 TYR H 1 27 GLY H 4.000 . 5.000 4.362 3.387 5.078 0.078 1 0 "[ . 1 . 2]" 3
123 1 25 PRO HA 1 27 GLY H 4.000 . 5.000 4.366 3.545 5.035 0.035 14 0 "[ . 1 . 2]" 3
124 1 23 ARG HD2 1 27 GLY H 4.000 . 5.000 2.508 1.954 3.218 . 0 0 "[ . 1 . 2]" 3
125 1 23 ARG HD3 1 27 GLY H 4.000 . 5.000 4.016 3.130 4.875 . 0 0 "[ . 1 . 2]" 3
126 1 23 ARG HG2 1 27 GLY H 4.000 . 5.000 5.068 4.838 5.236 0.236 10 0 "[ . 1 . 2]" 3
127 1 23 ARG HB3 1 27 GLY H 4.000 . 5.000 4.883 4.629 5.030 0.030 12 0 "[ . 1 . 2]" 3
128 1 23 ARG HB2 1 27 GLY H 4.000 . 5.000 3.447 2.914 3.825 . 0 0 "[ . 1 . 2]" 3
129 1 24 TYR H 1 28 ASP H 4.000 . 5.000 4.077 3.116 4.905 . 0 0 "[ . 1 . 2]" 3
130 1 33 GLU H 1 35 THR HA 4.000 . 5.000 4.692 3.886 5.110 0.110 15 0 "[ . 1 . 2]" 3
131 1 34 ASP HB3 1 36 TYR H 4.000 . 5.000 4.467 3.735 5.031 0.031 6 0 "[ . 1 . 2]" 3
132 1 38 ASP H 1 42 ASP HB2 4.000 . 5.000 4.261 3.042 5.044 0.044 12 0 "[ . 1 . 2]" 3
133 1 39 ALA H 1 41 GLY H 4.000 . 5.000 4.288 4.072 4.730 . 0 0 "[ . 1 . 2]" 3
134 1 46 SER H 1 50 LEU H 4.000 . 5.000 4.450 3.978 4.934 . 0 0 "[ . 1 . 2]" 3
135 1 46 SER H 1 49 GLU HB2 4.000 . 5.000 2.855 1.765 3.827 0.035 12 0 "[ . 1 . 2]" 3
136 1 46 SER HA 1 48 SER H 4.000 . 5.000 4.375 4.046 4.646 . 0 0 "[ . 1 . 2]" 3
137 1 48 SER H 1 50 LEU H 4.000 . 5.000 3.587 3.292 3.910 . 0 0 "[ . 1 . 2]" 3
138 1 46 SER HB2 1 50 LEU H 4.000 . 5.000 4.741 4.445 5.091 0.091 20 0 "[ . 1 . 2]" 3
139 1 53 PRO HB2 1 56 TRP H 4.000 . 5.000 4.274 3.473 4.803 . 0 0 "[ . 1 . 2]" 3
140 1 53 PRO HG3 1 56 TRP H 4.000 . 5.000 4.632 3.546 5.028 0.028 9 0 "[ . 1 . 2]" 3
141 1 58 TRP HE3 1 60 ASP H 4.000 . 5.000 3.724 3.314 4.068 . 0 0 "[ . 1 . 2]" 3
142 1 67 ILE HA 1 69 ARG H 4.000 . 5.000 3.215 2.828 3.455 . 0 0 "[ . 1 . 2]" 3
143 1 69 ARG HA 1 71 VAL H 4.000 . 5.000 4.977 4.802 5.046 0.046 11 0 "[ . 1 . 2]" 3
144 1 67 ILE HA 1 71 VAL H 4.000 . 5.000 4.733 4.270 5.017 0.017 5 0 "[ . 1 . 2]" 3
145 1 73 GLU HA 1 75 GLY H 4.000 . 5.000 3.984 3.656 5.003 0.003 18 0 "[ . 1 . 2]" 3
146 1 83 PRO HB3 1 85 ASP H 4.000 . 5.000 4.129 3.471 4.563 . 0 0 "[ . 1 . 2]" 3
147 1 88 PRO HB3 1 91 TRP HE1 4.000 . 5.000 4.996 4.691 5.063 0.063 4 0 "[ . 1 . 2]" 3
148 1 94 ALA H 1 99 HIS HE1 4.000 . 5.000 4.767 4.120 5.198 0.198 8 0 "[ . 1 . 2]" 3
149 1 95 GLU H 1 99 HIS HE1 4.000 . 5.000 3.950 2.794 4.875 . 0 0 "[ . 1 . 2]" 3
150 1 96 LYS H 1 99 HIS HE1 4.000 . 5.000 2.472 1.957 3.340 . 0 0 "[ . 1 . 2]" 3
151 1 96 LYS H 1 99 HIS HB3 4.000 . 5.000 4.832 4.174 5.144 0.144 15 0 "[ . 1 . 2]" 3
152 1 97 MET HB3 1 99 HIS H 4.000 . 5.000 4.790 4.620 5.288 0.288 1 0 "[ . 1 . 2]" 3
153 1 97 MET HB2 1 99 HIS H 4.000 . 5.000 5.216 4.709 5.356 0.356 4 0 "[ . 1 . 2]" 3
154 1 96 LYS HB3 1 99 HIS H 4.000 . 5.000 4.312 4.036 5.051 0.051 20 0 "[ . 1 . 2]" 3
155 1 96 LYS HB2 1 99 HIS H 4.000 . 5.000 3.981 3.559 4.771 . 0 0 "[ . 1 . 2]" 3
156 1 113 ASP HA 1 115 THR H 4.000 . 5.000 4.278 4.097 4.601 . 0 0 "[ . 1 . 2]" 3
157 1 113 ASP HB2 1 115 THR H 4.000 . 5.000 4.587 4.125 5.023 0.023 17 0 "[ . 1 . 2]" 3
158 1 10 HIS HB3 1 12 GLU H 4.000 . 5.000 5.024 4.440 5.182 0.182 20 0 "[ . 1 . 2]" 3
159 1 32 ALA HA 1 34 ASP H 4.000 . 5.000 4.507 3.948 5.114 0.114 20 0 "[ . 1 . 2]" 3
160 1 46 SER H 1 50 LEU HG 4.000 . 5.000 4.121 3.725 5.054 0.054 5 0 "[ . 1 . 2]" 3
161 1 48 SER HA 1 50 LEU H 4.000 . 5.000 4.038 3.457 4.421 . 0 0 "[ . 1 . 2]" 3
162 1 83 PRO HB2 1 85 ASP H 4.000 . 5.000 4.914 4.514 5.052 0.052 19 0 "[ . 1 . 2]" 3
163 1 96 LYS H 1 99 HIS H 4.000 . 5.000 4.196 3.736 4.981 . 0 0 "[ . 1 . 2]" 3
164 1 69 ARG HB3 1 71 VAL H 4.000 . 5.000 4.475 3.579 4.943 . 0 0 "[ . 1 . 2]" 3
165 1 74 LYS HB2 1 76 TRP H 4.000 . 5.000 3.666 2.943 5.047 0.047 11 0 "[ . 1 . 2]" 3
166 1 74 LYS HG3 1 76 TRP HE1 4.000 . 5.000 4.619 3.587 5.067 0.067 5 0 "[ . 1 . 2]" 3
167 1 74 LYS HG2 1 76 TRP HE1 4.000 . 5.000 4.839 4.521 5.075 0.075 15 0 "[ . 1 . 2]" 3
168 1 74 LYS HB3 1 76 TRP HE1 4.000 . 5.000 3.122 2.693 3.605 . 0 0 "[ . 1 . 2]" 3
169 1 37 THR HB 1 42 ASP H 4.000 . 5.000 3.747 2.761 4.245 . 0 0 "[ . 1 . 2]" 3
stop_
save_
save_distance_constraint_statistics_4
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 4
_Distance_constraint_stats_list.Constraint_count 559
_Distance_constraint_stats_list.Viol_count 548
_Distance_constraint_stats_list.Viol_total 995.653
_Distance_constraint_stats_list.Viol_max 0.343
_Distance_constraint_stats_list.Viol_rms 0.0260
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0045
_Distance_constraint_stats_list.Viol_average_violations_only 0.0908
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 ILE 0.046 0.046 5 0 "[ . 1 . 2]"
1 2 ASP 0.454 0.184 12 0 "[ . 1 . 2]"
1 3 PRO 1.446 0.204 2 0 "[ . 1 . 2]"
1 4 PHE 1.039 0.204 2 0 "[ . 1 . 2]"
1 5 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 6 ALA 0.087 0.087 15 0 "[ . 1 . 2]"
1 7 ASP 0.087 0.087 15 0 "[ . 1 . 2]"
1 8 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 GLY 1.033 0.162 14 0 "[ . 1 . 2]"
1 10 HIS 1.033 0.162 14 0 "[ . 1 . 2]"
1 11 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 VAL 3.830 0.274 19 0 "[ . 1 . 2]"
1 18 TYR 3.830 0.274 19 0 "[ . 1 . 2]"
1 19 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 21 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 22 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 24 TYR 2.901 0.231 1 0 "[ . 1 . 2]"
1 25 PRO 2.901 0.231 1 0 "[ . 1 . 2]"
1 26 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 29 TRP 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 LYS 0.145 0.036 19 0 "[ . 1 . 2]"
1 31 PRO 0.145 0.036 19 0 "[ . 1 . 2]"
1 32 ALA 0.818 0.205 18 0 "[ . 1 . 2]"
1 33 GLU 4.295 0.263 14 0 "[ . 1 . 2]"
1 34 ASP 3.477 0.263 14 0 "[ . 1 . 2]"
1 35 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 37 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 39 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 40 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 41 GLY 0.001 0.001 8 0 "[ . 1 . 2]"
1 42 ASP 0.001 0.001 8 0 "[ . 1 . 2]"
1 43 LYS 0.435 0.070 15 0 "[ . 1 . 2]"
1 44 ALA 0.435 0.070 15 0 "[ . 1 . 2]"
1 45 ALA 0.343 0.343 5 0 "[ . 1 . 2]"
1 46 SER 1.616 0.343 5 0 "[ . 1 . 2]"
1 47 PRO 1.274 0.138 15 0 "[ . 1 . 2]"
1 48 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 49 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 50 LEU 0.166 0.125 5 0 "[ . 1 . 2]"
1 51 THR 0.199 0.125 5 0 "[ . 1 . 2]"
1 52 CYS 0.033 0.033 12 0 "[ . 1 . 2]"
1 53 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 54 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 55 GLY 0.572 0.084 3 0 "[ . 1 . 2]"
1 56 TRP 0.572 0.084 3 0 "[ . 1 . 2]"
1 57 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 58 TRP 0.000 0.000 . 0 "[ . 1 . 2]"
1 59 GLU 0.418 0.105 9 0 "[ . 1 . 2]"
1 60 ASP 0.418 0.105 9 0 "[ . 1 . 2]"
1 61 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 62 ALA 0.112 0.051 12 0 "[ . 1 . 2]"
1 63 TRP 0.112 0.051 12 0 "[ . 1 . 2]"
1 64 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 65 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 66 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 67 ILE 0.012 0.012 17 0 "[ . 1 . 2]"
1 68 ASN 0.012 0.012 17 0 "[ . 1 . 2]"
1 69 ARG 0.253 0.137 17 0 "[ . 1 . 2]"
1 70 ALA 0.253 0.137 17 0 "[ . 1 . 2]"
1 71 VAL 0.022 0.021 18 0 "[ . 1 . 2]"
1 72 ASP 0.398 0.043 14 0 "[ . 1 . 2]"
1 73 GLU 5.078 0.237 14 0 "[ . 1 . 2]"
1 74 LYS 4.702 0.237 14 0 "[ . 1 . 2]"
1 75 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 76 TRP 0.000 0.000 . 0 "[ . 1 . 2]"
1 77 GLU 0.442 0.101 18 0 "[ . 1 . 2]"
1 78 TYR 0.442 0.101 18 0 "[ . 1 . 2]"
1 79 GLY 0.681 0.173 17 0 "[ . 1 . 2]"
1 80 ILE 2.322 0.264 8 0 "[ . 1 . 2]"
1 81 THR 1.660 0.264 8 0 "[ . 1 . 2]"
1 82 ILE 0.181 0.053 5 0 "[ . 1 . 2]"
1 83 PRO 0.162 0.053 5 0 "[ . 1 . 2]"
1 84 PRO 4.593 0.214 17 0 "[ . 1 . 2]"
1 85 ASP 5.404 0.214 17 0 "[ . 1 . 2]"
1 86 HIS 1.836 0.172 15 0 "[ . 1 . 2]"
1 87 LYS 2.203 0.172 15 0 "[ . 1 . 2]"
1 88 PRO 1.821 0.153 12 0 "[ . 1 . 2]"
1 89 LYS 2.391 0.159 15 0 "[ . 1 . 2]"
1 90 SER 2.114 0.159 15 0 "[ . 1 . 2]"
1 91 TRP 0.366 0.083 17 0 "[ . 1 . 2]"
1 92 VAL 0.102 0.045 10 0 "[ . 1 . 2]"
1 93 ALA 0.117 0.045 10 0 "[ . 1 . 2]"
1 94 ALA 0.015 0.015 18 0 "[ . 1 . 2]"
1 95 GLU 0.513 0.094 7 0 "[ . 1 . 2]"
1 96 LYS 0.513 0.094 7 0 "[ . 1 . 2]"
1 97 MET 0.183 0.091 8 0 "[ . 1 . 2]"
1 98 TYR 0.183 0.091 8 0 "[ . 1 . 2]"
1 99 HIS 0.016 0.016 11 0 "[ . 1 . 2]"
1 100 THR 0.726 0.158 7 0 "[ . 1 . 2]"
1 101 HIS 1.252 0.158 7 0 "[ . 1 . 2]"
1 102 ARG 4.794 0.326 11 0 "[ . 1 . 2]"
1 103 ARG 9.032 0.333 11 0 "[ . 1 . 2]"
1 104 ARG 4.780 0.333 11 0 "[ . 1 . 2]"
1 105 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 106 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 107 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 108 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 109 LYS 0.084 0.071 5 0 "[ . 1 . 2]"
1 110 ARG 0.084 0.071 5 0 "[ . 1 . 2]"
1 111 LYS 0.196 0.188 2 0 "[ . 1 . 2]"
1 112 LYS 0.754 0.188 2 0 "[ . 1 . 2]"
1 113 ASP 2.447 0.309 7 0 "[ . 1 . 2]"
1 114 LEU 1.888 0.309 7 0 "[ . 1 . 2]"
1 115 THR 0.133 0.066 4 0 "[ . 1 . 2]"
1 116 GLN 0.133 0.066 4 0 "[ . 1 . 2]"
1 117 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 118 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 122 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 123 ARG 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 1 106 LEU HA 1 107 VAL HA 5.000 . 6.000 4.317 4.276 4.357 . 0 0 "[ . 1 . 2]" 4
2 1 103 ARG HA 1 104 ARG HA 5.000 . 6.000 4.408 4.284 4.496 . 0 0 "[ . 1 . 2]" 4
3 1 46 SER HA 1 47 PRO HA 5.000 . 6.000 4.409 4.292 4.467 . 0 0 "[ . 1 . 2]" 4
4 1 46 SER HA 1 47 PRO HD3 5.000 . 6.000 2.367 2.107 2.535 . 0 0 "[ . 1 . 2]" 4
5 1 46 SER HA 1 47 PRO HD2 5.000 . 6.000 2.525 2.176 2.912 . 0 0 "[ . 1 . 2]" 4
6 1 46 SER HA 1 47 PRO HG2 5.000 . 6.000 4.593 4.371 4.727 . 0 0 "[ . 1 . 2]" 4
7 1 44 ALA HA 1 45 ALA HA 5.000 . 6.000 4.329 4.169 4.383 . 0 0 "[ . 1 . 2]" 4
8 1 72 ASP HA 1 73 GLU HA 5.000 . 6.000 4.372 4.295 4.427 . 0 0 "[ . 1 . 2]" 4
9 1 93 ALA HA 1 94 ALA H 5.000 . 5.000 2.945 2.102 3.532 . 0 0 "[ . 1 . 2]" 4
10 1 36 TYR HA 1 37 THR HA 5.000 . 6.000 4.420 4.369 4.490 . 0 0 "[ . 1 . 2]" 4
11 1 109 LYS HA 1 110 ARG HA 5.000 . 6.000 4.415 4.367 4.467 . 0 0 "[ . 1 . 2]" 4
12 1 53 PRO HA 1 54 PRO HD3 5.000 . 6.000 2.343 2.069 2.853 . 0 0 "[ . 1 . 2]" 4
13 1 81 THR HA 1 82 ILE HA 5.000 . 6.000 4.418 4.319 4.506 . 0 0 "[ . 1 . 2]" 4
14 1 33 GLU HA 1 34 ASP HA 5.000 . 6.000 4.444 4.276 4.598 . 0 0 "[ . 1 . 2]" 4
15 1 2 ASP HB3 1 3 PRO HD2 5.000 . 6.000 3.798 2.188 5.266 . 0 0 "[ . 1 . 2]" 4
16 1 2 ASP HA 1 3 PRO HD2 3.500 . 4.000 2.762 2.247 4.184 0.184 12 0 "[ . 1 . 2]" 4
17 1 2 ASP HB2 1 3 PRO HD2 5.000 . 6.000 4.077 2.124 5.123 . 0 0 "[ . 1 . 2]" 4
18 1 2 ASP HA 1 3 PRO HD3 2.500 . 3.500 2.085 1.770 3.623 0.123 12 0 "[ . 1 . 2]" 4
19 1 2 ASP HB3 1 3 PRO HD3 5.000 . 6.000 4.065 2.942 4.829 . 0 0 "[ . 1 . 2]" 4
20 1 2 ASP HB2 1 3 PRO HD3 5.000 . 6.000 4.151 1.882 4.956 . 0 0 "[ . 1 . 2]" 4
21 1 24 TYR HA 1 25 PRO HG2 5.000 . 6.000 4.730 4.618 4.800 . 0 0 "[ . 1 . 2]" 4
22 1 28 ASP HA 1 29 TRP HA 5.000 . 6.000 4.299 4.153 4.413 . 0 0 "[ . 1 . 2]" 4
23 1 32 ALA HA 1 33 GLU HA 5.000 . 6.000 4.528 4.034 5.072 . 0 0 "[ . 1 . 2]" 4
24 1 32 ALA HA 1 33 GLU HG3 5.000 . 6.000 5.182 3.338 6.081 0.081 17 0 "[ . 1 . 2]" 4
25 1 32 ALA HA 1 33 GLU HG2 5.000 . 6.000 4.973 3.507 6.205 0.205 18 0 "[ . 1 . 2]" 4
26 1 32 ALA HA 1 33 GLU HB2 5.000 . 6.000 5.363 3.929 6.094 0.094 9 0 "[ . 1 . 2]" 4
27 1 32 ALA HA 1 33 GLU HB3 5.000 . 6.000 5.221 4.527 6.019 0.019 2 0 "[ . 1 . 2]" 4
28 1 52 CYS HA 1 53 PRO HG3 5.000 . 6.000 4.358 4.287 4.548 . 0 0 "[ . 1 . 2]" 4
29 1 52 CYS HA 1 53 PRO HD3 5.000 . 6.000 2.251 2.087 2.415 . 0 0 "[ . 1 . 2]" 4
30 1 59 GLU HG3 1 60 ASP HA 5.000 . 6.000 4.849 3.285 6.105 0.105 9 0 "[ . 1 . 2]" 4
31 1 65 TYR HA 1 66 ASP HA 5.000 . 6.000 4.258 4.168 4.404 . 0 0 "[ . 1 . 2]" 4
32 1 73 GLU HG2 1 74 LYS HA 5.000 . 6.000 6.169 6.091 6.237 0.237 14 0 "[ . 1 . 2]" 4
33 1 68 ASN HA 1 69 ARG HA 5.000 . 6.000 4.497 4.415 4.602 . 0 0 "[ . 1 . 2]" 4
34 1 111 LYS HA 1 112 LYS HA 5.000 . 6.000 4.361 4.190 4.468 . 0 0 "[ . 1 . 2]" 4
35 1 35 THR HB 1 36 TYR HA 5.000 . 6.000 4.441 4.286 4.559 . 0 0 "[ . 1 . 2]" 4
36 1 38 ASP HA 1 39 ALA HA 5.000 . 6.000 4.388 4.301 4.444 . 0 0 "[ . 1 . 2]" 4
37 1 2 ASP HA 1 3 PRO HG2 5.000 . 6.000 4.547 4.352 6.042 0.042 12 0 "[ . 1 . 2]" 4
38 1 2 ASP HA 1 3 PRO HG3 5.000 . 6.000 4.195 3.829 5.451 . 0 0 "[ . 1 . 2]" 4
39 1 2 ASP HA 1 3 PRO HA 5.000 . 6.000 4.468 4.346 4.773 . 0 0 "[ . 1 . 2]" 4
40 1 9 GLY HA2 1 10 HIS HA 5.000 . 6.000 4.384 4.199 4.548 . 0 0 "[ . 1 . 2]" 4
41 1 9 GLY HA2 1 10 HIS HB2 5.000 . 6.000 5.457 4.881 5.987 . 0 0 "[ . 1 . 2]" 4
42 1 43 LYS HA 1 44 ALA HA 5.000 . 6.000 4.359 4.332 4.406 . 0 0 "[ . 1 . 2]" 4
43 1 52 CYS HB3 1 53 PRO HD3 5.000 . 6.000 4.486 4.122 4.679 . 0 0 "[ . 1 . 2]" 4
44 1 52 CYS HB2 1 53 PRO HD3 5.000 . 6.000 4.011 3.685 4.254 . 0 0 "[ . 1 . 2]" 4
45 1 52 CYS HA 1 53 PRO HD2 5.000 . 6.000 2.189 2.004 2.470 . 0 0 "[ . 1 . 2]" 4
46 1 52 CYS HB3 1 53 PRO HD2 5.000 . 6.000 3.646 3.401 3.841 . 0 0 "[ . 1 . 2]" 4
47 1 52 CYS HB2 1 53 PRO HD2 5.000 . 6.000 2.767 2.333 3.134 . 0 0 "[ . 1 . 2]" 4
48 1 81 THR HA 1 82 ILE HG13 5.000 . 6.000 4.460 3.514 5.360 . 0 0 "[ . 1 . 2]" 4
49 1 87 LYS HA 1 88 PRO HD3 5.000 . 6.000 2.116 1.920 2.306 . 0 0 "[ . 1 . 2]" 4
50 1 87 LYS HA 1 88 PRO HD2 5.000 . 6.000 2.563 2.264 3.060 . 0 0 "[ . 1 . 2]" 4
51 1 87 LYS HB3 1 88 PRO HD2 5.000 . 6.000 2.907 2.127 3.943 . 0 0 "[ . 1 . 2]" 4
52 1 87 LYS HB2 1 88 PRO HD2 5.000 . 6.000 4.207 2.941 4.875 . 0 0 "[ . 1 . 2]" 4
53 1 87 LYS HB3 1 88 PRO HD3 5.000 . 6.000 3.769 3.240 4.418 . 0 0 "[ . 1 . 2]" 4
54 1 87 LYS HB2 1 88 PRO HD3 5.000 . 6.000 4.635 3.893 4.905 . 0 0 "[ . 1 . 2]" 4
55 1 9 GLY HA2 1 10 HIS HD2 5.000 . 6.000 5.633 5.101 6.030 0.030 13 0 "[ . 1 . 2]" 4
56 1 15 ASP HA 1 16 GLU HA 5.000 . 6.000 4.505 4.451 4.587 . 0 0 "[ . 1 . 2]" 4
57 1 33 GLU HB3 1 34 ASP HA 5.000 . 6.000 5.185 4.082 5.926 . 0 0 "[ . 1 . 2]" 4
58 1 33 GLU HB2 1 34 ASP HA 5.000 . 6.000 4.687 3.997 5.894 . 0 0 "[ . 1 . 2]" 4
59 1 33 GLU HG3 1 34 ASP HA 5.000 . 6.000 5.695 4.111 6.231 0.231 6 0 "[ . 1 . 2]" 4
60 1 33 GLU HG2 1 34 ASP HA 5.000 . 6.000 5.372 4.143 6.263 0.263 14 0 "[ . 1 . 2]" 4
61 1 35 THR HA 1 36 TYR HA 5.000 . 6.000 4.454 4.392 4.510 . 0 0 "[ . 1 . 2]" 4
62 1 34 ASP HA 1 35 THR HA 5.000 . 6.000 4.404 4.289 4.506 . 0 0 "[ . 1 . 2]" 4
63 1 34 ASP HA 1 35 THR HB 5.000 . 6.000 4.791 4.675 4.908 . 0 0 "[ . 1 . 2]" 4
64 1 39 ALA HA 1 40 ASN HA 5.000 . 6.000 4.642 4.504 4.766 . 0 0 "[ . 1 . 2]" 4
65 1 10 HIS HB3 1 11 THR HA 5.000 . 6.000 4.724 4.357 5.357 . 0 0 "[ . 1 . 2]" 4
66 1 11 THR HA 1 12 GLU HA 5.000 . 6.000 4.328 4.232 4.409 . 0 0 "[ . 1 . 2]" 4
67 1 11 THR HA 1 12 GLU HB2 5.000 . 6.000 5.778 5.585 5.860 . 0 0 "[ . 1 . 2]" 4
68 1 12 GLU HA 1 13 PHE HA 5.000 . 6.000 4.474 4.404 4.562 . 0 0 "[ . 1 . 2]" 4
69 1 13 PHE HA 1 14 THR HB 5.000 . 6.000 4.841 4.754 4.923 . 0 0 "[ . 1 . 2]" 4
70 1 15 ASP HA 1 16 GLU HG2 5.000 . 6.000 3.751 3.350 4.869 . 0 0 "[ . 1 . 2]" 4
71 1 17 VAL HB 1 18 TYR HA 5.000 . 6.000 5.672 4.809 5.936 . 0 0 "[ . 1 . 2]" 4
72 1 17 VAL HB 1 18 TYR HB2 5.000 . 6.000 6.128 5.342 6.274 0.274 19 0 "[ . 1 . 2]" 4
73 1 21 GLU HB2 1 22 SER HA 5.000 . 6.000 4.658 4.323 5.130 . 0 0 "[ . 1 . 2]" 4
74 1 22 SER HA 1 23 ARG HA 5.000 . 6.000 4.449 4.407 4.497 . 0 0 "[ . 1 . 2]" 4
75 1 24 TYR HA 1 25 PRO HD3 5.000 . 6.000 2.143 2.040 2.222 . 0 0 "[ . 1 . 2]" 4
76 1 24 TYR HA 1 25 PRO HD2 5.000 . 6.000 3.040 2.764 3.241 . 0 0 "[ . 1 . 2]" 4
77 1 24 TYR HB3 1 25 PRO HD2 5.000 . 6.000 2.409 2.185 2.601 . 0 0 "[ . 1 . 2]" 4
78 1 24 TYR HB2 1 25 PRO HD2 5.000 . 6.000 3.518 3.348 3.691 . 0 0 "[ . 1 . 2]" 4
79 1 24 TYR HB3 1 25 PRO HG2 5.000 . 6.000 4.713 4.494 4.921 . 0 0 "[ . 1 . 2]" 4
80 1 24 TYR HB2 1 25 PRO HG2 5.000 . 6.000 5.704 5.561 5.863 . 0 0 "[ . 1 . 2]" 4
81 1 24 TYR HA 1 25 PRO HG3 5.000 . 6.000 4.232 4.143 4.375 . 0 0 "[ . 1 . 2]" 4
82 1 27 GLY HA3 1 28 ASP HA 5.000 . 6.000 4.386 4.287 4.464 . 0 0 "[ . 1 . 2]" 4
83 1 27 GLY HA2 1 28 ASP HA 5.000 . 6.000 4.489 4.400 4.655 . 0 0 "[ . 1 . 2]" 4
84 1 30 LYS HA 1 31 PRO HD3 5.000 . 6.000 2.337 1.907 2.589 . 0 0 "[ . 1 . 2]" 4
85 1 30 LYS HB3 1 31 PRO HD3 5.000 . 6.000 3.070 2.548 3.996 . 0 0 "[ . 1 . 2]" 4
86 1 30 LYS HA 1 31 PRO HD2 5.000 . 6.000 3.074 2.193 3.517 . 0 0 "[ . 1 . 2]" 4
87 1 30 LYS HB3 1 31 PRO HD2 5.000 . 6.000 2.252 1.971 4.018 . 0 0 "[ . 1 . 2]" 4
88 1 30 LYS HB2 1 31 PRO HD2 5.000 . 6.000 3.528 2.695 3.907 . 0 0 "[ . 1 . 2]" 4
89 1 30 LYS HG2 1 31 PRO HD2 5.000 . 6.000 4.198 3.758 5.336 . 0 0 "[ . 1 . 2]" 4
90 1 82 ILE HB 1 83 PRO HD2 5.000 . 6.000 3.880 2.576 4.971 . 0 0 "[ . 1 . 2]" 4
91 1 82 ILE HB 1 83 PRO HD3 5.000 . 6.000 4.566 3.730 5.201 . 0 0 "[ . 1 . 2]" 4
92 1 82 ILE HG13 1 83 PRO HD2 5.000 . 6.000 4.930 4.116 5.748 . 0 0 "[ . 1 . 2]" 4
93 1 82 ILE HG13 1 83 PRO HD3 5.000 . 6.000 5.194 4.067 5.611 . 0 0 "[ . 1 . 2]" 4
94 1 43 LYS HB3 1 44 ALA HA 5.000 . 6.000 4.899 4.597 5.777 . 0 0 "[ . 1 . 2]" 4
95 1 43 LYS HB2 1 44 ALA HA 5.000 . 6.000 5.798 5.070 5.879 . 0 0 "[ . 1 . 2]" 4
96 1 43 LYS HG2 1 44 ALA HA 5.000 . 6.000 5.059 3.792 5.803 . 0 0 "[ . 1 . 2]" 4
97 1 43 LYS HG3 1 44 ALA HA 5.000 . 6.000 5.351 3.794 6.070 0.070 15 0 "[ . 1 . 2]" 4
98 1 46 SER HB3 1 47 PRO HD3 5.000 . 6.000 3.535 2.985 4.503 . 0 0 "[ . 1 . 2]" 4
99 1 46 SER HB2 1 47 PRO HD3 5.000 . 6.000 4.272 3.442 4.603 . 0 0 "[ . 1 . 2]" 4
100 1 46 SER HB3 1 47 PRO HD2 5.000 . 6.000 2.307 1.862 3.349 . 0 0 "[ . 1 . 2]" 4
101 1 46 SER HB2 1 47 PRO HD2 5.000 . 6.000 3.116 1.944 3.614 . 0 0 "[ . 1 . 2]" 4
102 1 46 SER HA 1 47 PRO HB3 5.000 . 6.000 5.455 5.181 5.672 . 0 0 "[ . 1 . 2]" 4
103 1 46 SER HA 1 47 PRO HB2 5.000 . 6.000 5.487 5.276 5.723 . 0 0 "[ . 1 . 2]" 4
104 1 47 PRO HA 1 48 SER HA 5.000 . 6.000 4.705 4.568 4.802 . 0 0 "[ . 1 . 2]" 4
105 1 50 LEU HA 1 51 THR HA 5.000 . 6.000 4.364 4.334 4.388 . 0 0 "[ . 1 . 2]" 4
106 1 50 LEU HB3 1 51 THR HA 5.000 . 6.000 4.649 4.450 4.755 . 0 0 "[ . 1 . 2]" 4
107 1 50 LEU HB2 1 51 THR HA 5.000 . 6.000 5.196 5.054 5.830 . 0 0 "[ . 1 . 2]" 4
108 1 53 PRO HA 1 54 PRO HD2 5.000 . 6.000 2.852 2.352 3.253 . 0 0 "[ . 1 . 2]" 4
109 1 53 PRO HB2 1 54 PRO HD2 5.000 . 6.000 2.304 1.949 2.634 . 0 0 "[ . 1 . 2]" 4
110 1 53 PRO HB3 1 54 PRO HD2 5.000 . 6.000 3.330 2.816 3.717 . 0 0 "[ . 1 . 2]" 4
111 1 53 PRO HB2 1 54 PRO HA 5.000 . 6.000 4.838 4.775 4.898 . 0 0 "[ . 1 . 2]" 4
112 1 55 GLY HA3 1 56 TRP HD1 5.000 . 6.000 4.129 3.595 4.751 . 0 0 "[ . 1 . 2]" 4
113 1 55 GLY HA2 1 56 TRP HD1 5.000 . 6.000 5.398 5.010 6.084 0.084 3 0 "[ . 1 . 2]" 4
114 1 62 ALA HA 1 63 TRP HD1 5.000 . 6.000 3.205 2.908 3.332 . 0 0 "[ . 1 . 2]" 4
115 1 64 SER HA 1 65 TYR HA 5.000 . 6.000 4.296 4.141 4.449 . 0 0 "[ . 1 . 2]" 4
116 1 63 TRP HA 1 64 SER HA 5.000 . 6.000 4.364 4.302 4.439 . 0 0 "[ . 1 . 2]" 4
117 1 64 SER HA 1 65 TYR HB2 5.000 . 6.000 5.836 5.717 5.959 . 0 0 "[ . 1 . 2]" 4
118 1 65 TYR HB3 1 66 ASP HA 5.000 . 6.000 5.904 5.852 5.960 . 0 0 "[ . 1 . 2]" 4
119 1 67 ILE HA 1 68 ASN HA 5.000 . 6.000 4.607 4.514 4.822 . 0 0 "[ . 1 . 2]" 4
120 1 68 ASN HB3 1 69 ARG HA 5.000 . 6.000 4.942 4.745 5.720 . 0 0 "[ . 1 . 2]" 4
121 1 69 ARG HB2 1 70 ALA HA 5.000 . 6.000 5.076 4.598 5.847 . 0 0 "[ . 1 . 2]" 4
122 1 73 GLU HA 1 74 LYS HG2 5.000 . 6.000 5.388 4.461 5.903 . 0 0 "[ . 1 . 2]" 4
123 1 73 GLU HA 1 74 LYS HG3 5.000 . 6.000 5.088 4.337 6.219 0.219 4 0 "[ . 1 . 2]" 4
124 1 72 ASP HB3 1 73 GLU HA 5.000 . 6.000 5.200 4.844 5.387 . 0 0 "[ . 1 . 2]" 4
125 1 72 ASP HB2 1 73 GLU HA 5.000 . 6.000 6.014 5.965 6.043 0.043 14 0 "[ . 1 . 2]" 4
126 1 79 GLY HA3 1 80 ILE HA 5.000 . 6.000 4.445 4.275 4.580 . 0 0 "[ . 1 . 2]" 4
127 1 80 ILE HA 1 81 THR HA 5.000 . 6.000 4.404 4.367 4.575 . 0 0 "[ . 1 . 2]" 4
128 1 80 ILE HB 1 81 THR HA 5.000 . 6.000 4.950 3.921 5.823 . 0 0 "[ . 1 . 2]" 4
129 1 80 ILE HG12 1 81 THR HA 5.000 . 6.000 4.106 3.520 5.293 . 0 0 "[ . 1 . 2]" 4
130 1 81 THR HA 1 82 ILE HB 5.000 . 6.000 5.255 4.555 5.909 . 0 0 "[ . 1 . 2]" 4
131 1 82 ILE HA 1 83 PRO HD2 5.000 . 6.000 2.206 1.831 2.721 . 0 0 "[ . 1 . 2]" 4
132 1 82 ILE HG12 1 83 PRO HD2 5.000 . 6.000 5.017 3.838 5.936 . 0 0 "[ . 1 . 2]" 4
133 1 87 LYS HA 1 88 PRO HG3 5.000 . 6.000 4.287 4.081 4.421 . 0 0 "[ . 1 . 2]" 4
134 1 87 LYS HA 1 88 PRO HB3 5.000 . 6.000 5.569 5.452 5.769 . 0 0 "[ . 1 . 2]" 4
135 1 87 LYS HA 1 88 PRO HB2 5.000 . 6.000 5.007 4.805 5.371 . 0 0 "[ . 1 . 2]" 4
136 1 90 SER HA 1 91 TRP HA 5.000 . 6.000 4.456 4.406 4.494 . 0 0 "[ . 1 . 2]" 4
137 1 89 LYS HB2 1 90 SER HB2 5.000 . 6.000 4.160 2.969 4.861 . 0 0 "[ . 1 . 2]" 4
138 1 89 LYS HB2 1 90 SER HB3 5.000 . 6.000 4.880 3.166 5.718 . 0 0 "[ . 1 . 2]" 4
139 1 89 LYS HB3 1 90 SER HB2 5.000 . 6.000 5.218 3.315 5.862 . 0 0 "[ . 1 . 2]" 4
140 1 89 LYS HB3 1 90 SER HB3 5.000 . 6.000 5.788 4.008 6.116 0.116 4 0 "[ . 1 . 2]" 4
141 1 89 LYS HG2 1 90 SER HB2 5.000 . 6.000 4.829 3.639 5.914 . 0 0 "[ . 1 . 2]" 4
142 1 89 LYS HG2 1 90 SER HB3 5.000 . 6.000 5.193 4.044 6.159 0.159 15 0 "[ . 1 . 2]" 4
143 1 91 TRP HA 1 92 VAL HA 5.000 . 6.000 4.454 4.376 4.521 . 0 0 "[ . 1 . 2]" 4
144 1 91 TRP HB2 1 92 VAL HA 5.000 . 6.000 4.730 4.559 4.882 . 0 0 "[ . 1 . 2]" 4
145 1 91 TRP HB3 1 92 VAL HA 5.000 . 6.000 4.714 4.436 4.952 . 0 0 "[ . 1 . 2]" 4
146 1 92 VAL HA 1 93 ALA HA 5.000 . 6.000 4.385 4.247 4.719 . 0 0 "[ . 1 . 2]" 4
147 1 94 ALA HA 1 95 GLU HA 5.000 . 6.000 4.495 4.355 4.671 . 0 0 "[ . 1 . 2]" 4
148 1 95 GLU HA 1 96 LYS HA 5.000 . 6.000 4.408 4.314 4.723 . 0 0 "[ . 1 . 2]" 4
149 1 95 GLU HB3 1 96 LYS HA 5.000 . 6.000 4.893 4.555 5.618 . 0 0 "[ . 1 . 2]" 4
150 1 95 GLU HG2 1 96 LYS HA 5.000 . 6.000 5.770 4.880 6.015 0.015 18 0 "[ . 1 . 2]" 4
151 1 97 MET HG3 1 98 TYR HA 5.000 . 6.000 5.109 3.397 5.713 . 0 0 "[ . 1 . 2]" 4
152 1 97 MET HG2 1 98 TYR HA 5.000 . 6.000 3.734 3.440 4.833 . 0 0 "[ . 1 . 2]" 4
153 1 102 ARG HB2 1 103 ARG HA 5.000 . 6.000 4.965 4.300 5.883 . 0 0 "[ . 1 . 2]" 4
154 1 102 ARG HD2 1 103 ARG HA 5.000 . 6.000 5.594 5.032 6.258 0.258 14 0 "[ . 1 . 2]" 4
155 1 105 ARG HA 1 106 LEU HA 5.000 . 6.000 4.384 4.363 4.418 . 0 0 "[ . 1 . 2]" 4
156 1 105 ARG HA 1 106 LEU HB3 5.000 . 6.000 5.748 5.684 5.798 . 0 0 "[ . 1 . 2]" 4
157 1 105 ARG HA 1 106 LEU HG 5.000 . 6.000 4.233 4.124 4.440 . 0 0 "[ . 1 . 2]" 4
158 1 107 VAL HA 1 108 ARG HA 5.000 . 6.000 4.325 4.222 4.355 . 0 0 "[ . 1 . 2]" 4
159 1 112 LYS HA 1 113 ASP HA 5.000 . 6.000 5.203 5.072 5.256 . 0 0 "[ . 1 . 2]" 4
160 1 111 LYS HA 1 112 LYS HB3 5.000 . 6.000 4.758 4.522 5.712 . 0 0 "[ . 1 . 2]" 4
161 1 111 LYS HA 1 112 LYS HB2 5.000 . 6.000 4.329 4.063 4.635 . 0 0 "[ . 1 . 2]" 4
162 1 11 THR HA 1 12 GLU HB3 5.000 . 6.000 4.735 4.397 4.917 . 0 0 "[ . 1 . 2]" 4
163 1 9 GLY HA2 1 10 HIS HB3 5.000 . 6.000 6.032 5.826 6.162 0.162 14 0 "[ . 1 . 2]" 4
164 1 24 TYR HB2 1 25 PRO HD3 5.000 . 6.000 4.098 3.871 4.325 . 0 0 "[ . 1 . 2]" 4
165 1 24 TYR HB3 1 25 PRO HD3 5.000 . 6.000 3.043 2.761 3.384 . 0 0 "[ . 1 . 2]" 4
166 1 45 ALA HA 1 46 SER HB3 5.000 . 6.000 5.422 4.628 5.681 . 0 0 "[ . 1 . 2]" 4
167 1 94 ALA HA 1 95 GLU HB3 5.000 . 6.000 4.730 4.309 5.127 . 0 0 "[ . 1 . 2]" 4
168 1 97 MET HG2 1 98 TYR HB3 5.000 . 6.000 5.747 4.318 6.091 0.091 8 0 "[ . 1 . 2]" 4
169 1 112 LYS HA 1 113 ASP HB2 5.000 . 6.000 4.848 4.588 4.993 . 0 0 "[ . 1 . 2]" 4
170 1 112 LYS HA 1 113 ASP HB3 5.000 . 6.000 4.884 4.448 5.201 . 0 0 "[ . 1 . 2]" 4
171 1 111 LYS HG2 1 112 LYS HA 5.000 . 6.000 4.897 4.211 6.188 0.188 2 0 "[ . 1 . 2]" 4
172 1 81 THR HA 1 82 ILE HG12 5.000 . 6.000 4.922 3.753 6.019 0.019 18 0 "[ . 1 . 2]" 4
173 1 66 ASP HA 1 67 ILE HA 5.000 . 6.000 4.362 4.341 4.409 . 0 0 "[ . 1 . 2]" 4
174 1 15 ASP HB3 1 16 GLU HA 5.000 . 6.000 4.322 4.183 4.446 . 0 0 "[ . 1 . 2]" 4
175 1 101 HIS HB3 1 102 ARG HA 5.000 . 6.000 3.976 3.650 4.390 . 0 0 "[ . 1 . 2]" 4
176 1 19 GLN HA 1 20 ASN HA 5.000 . 6.000 4.401 4.328 4.460 . 0 0 "[ . 1 . 2]" 4
177 1 52 CYS HB2 1 53 PRO HG2 5.000 . 6.000 4.477 3.983 4.842 . 0 0 "[ . 1 . 2]" 4
178 1 53 PRO HA 1 54 PRO HG2 5.000 . 6.000 4.711 4.514 4.972 . 0 0 "[ . 1 . 2]" 4
179 1 77 GLU HA 1 78 TYR HA 5.000 . 6.000 4.273 4.176 4.380 . 0 0 "[ . 1 . 2]" 4
180 1 79 GLY HA2 1 80 ILE HG12 5.000 . 6.000 4.987 3.330 6.173 0.173 17 0 "[ . 1 . 2]" 4
181 1 10 HIS HA 1 11 THR HA 5.000 . 6.000 4.741 4.341 5.314 . 0 0 "[ . 1 . 2]" 4
182 1 102 ARG HD3 1 103 ARG HA 5.000 . 6.000 6.101 5.474 6.326 0.326 11 0 "[ . 1 . 2]" 4
183 1 12 GLU HB3 1 13 PHE HA 5.000 . 6.000 5.743 5.520 5.889 . 0 0 "[ . 1 . 2]" 4
184 1 16 GLU HA 1 17 VAL HA 5.000 . 6.000 4.455 4.409 4.490 . 0 0 "[ . 1 . 2]" 4
185 1 20 ASN HA 1 21 GLU HG2 5.000 . 6.000 5.380 4.791 5.769 . 0 0 "[ . 1 . 2]" 4
186 1 21 GLU HA 1 22 SER HB3 5.000 . 6.000 5.011 4.126 5.695 . 0 0 "[ . 1 . 2]" 4
187 1 21 GLU HA 1 22 SER HB2 5.000 . 6.000 4.773 4.030 5.666 . 0 0 "[ . 1 . 2]" 4
188 1 24 TYR HA 1 25 PRO HA 5.000 . 6.000 4.510 4.459 4.574 . 0 0 "[ . 1 . 2]" 4
189 1 23 ARG HA 1 24 TYR HA 5.000 . 6.000 4.423 4.361 4.462 . 0 0 "[ . 1 . 2]" 4
190 1 24 TYR HA 1 25 PRO HB3 5.000 . 6.000 5.611 5.509 5.710 . 0 0 "[ . 1 . 2]" 4
191 1 30 LYS HA 1 31 PRO HB2 5.000 . 6.000 5.424 5.104 5.693 . 0 0 "[ . 1 . 2]" 4
192 1 30 LYS HA 1 31 PRO HG2 5.000 . 6.000 4.864 4.361 5.153 . 0 0 "[ . 1 . 2]" 4
193 1 30 LYS HA 1 31 PRO HG3 5.000 . 6.000 4.420 3.983 4.560 . 0 0 "[ . 1 . 2]" 4
194 1 30 LYS HA 1 31 PRO HB3 5.000 . 6.000 5.721 5.196 5.882 . 0 0 "[ . 1 . 2]" 4
195 1 52 CYS HA 1 53 PRO HG2 5.000 . 6.000 4.350 4.216 4.541 . 0 0 "[ . 1 . 2]" 4
196 1 52 CYS HA 1 53 PRO HB2 5.000 . 6.000 5.503 5.454 5.637 . 0 0 "[ . 1 . 2]" 4
197 1 51 THR HA 1 52 CYS HA 5.000 . 6.000 4.342 4.284 4.413 . 0 0 "[ . 1 . 2]" 4
198 1 90 SER HA 1 91 TRP HD1 5.000 . 6.000 3.462 3.181 3.714 . 0 0 "[ . 1 . 2]" 4
199 1 102 ARG HA 1 103 ARG HA 5.000 . 6.000 4.449 4.393 4.508 . 0 0 "[ . 1 . 2]" 4
200 1 1 ILE HA 1 2 ASP HB2 5.000 . 6.000 4.995 4.380 5.923 . 0 0 "[ . 1 . 2]" 4
201 1 1 ILE HA 1 2 ASP HB3 5.000 . 6.000 5.448 4.353 6.046 0.046 5 0 "[ . 1 . 2]" 4
202 1 3 PRO HB3 1 4 PHE HA 5.000 . 6.000 5.505 4.989 5.925 . 0 0 "[ . 1 . 2]" 4
203 1 6 ALA HA 1 7 ASP HB3 5.000 . 6.000 5.354 4.156 6.087 0.087 15 0 "[ . 1 . 2]" 4
204 1 6 ALA HA 1 7 ASP HB2 5.000 . 6.000 4.970 4.362 5.694 . 0 0 "[ . 1 . 2]" 4
205 1 16 GLU HG2 1 17 VAL HA 5.000 . 6.000 4.984 4.461 5.748 . 0 0 "[ . 1 . 2]" 4
206 1 17 VAL HA 1 18 TYR HB2 5.000 . 6.000 4.342 4.129 4.748 . 0 0 "[ . 1 . 2]" 4
207 1 18 TYR HA 1 19 GLN HA 5.000 . 6.000 4.396 4.323 4.479 . 0 0 "[ . 1 . 2]" 4
208 1 22 SER HB3 1 23 ARG HA 5.000 . 6.000 4.879 4.344 5.717 . 0 0 "[ . 1 . 2]" 4
209 1 22 SER HB2 1 23 ARG HA 5.000 . 6.000 4.757 4.213 5.761 . 0 0 "[ . 1 . 2]" 4
210 1 24 TYR HB3 1 25 PRO HB3 5.000 . 6.000 5.875 5.638 6.037 0.037 17 0 "[ . 1 . 2]" 4
211 1 24 TYR HB2 1 25 PRO HB3 5.000 . 6.000 6.140 6.026 6.231 0.231 1 0 "[ . 1 . 2]" 4
212 1 28 ASP HA 1 29 TRP HD1 5.000 . 6.000 4.153 3.689 4.456 . 0 0 "[ . 1 . 2]" 4
213 1 36 TYR HB3 1 37 THR HA 5.000 . 6.000 4.639 4.510 4.799 . 0 0 "[ . 1 . 2]" 4
214 1 40 ASN HA 1 41 GLY HA3 5.000 . 6.000 4.482 4.371 4.626 . 0 0 "[ . 1 . 2]" 4
215 1 51 THR HB 1 52 CYS HB2 5.000 . 6.000 5.635 5.462 6.033 0.033 12 0 "[ . 1 . 2]" 4
216 1 51 THR HB 1 52 CYS HB3 5.000 . 6.000 5.172 4.956 5.815 . 0 0 "[ . 1 . 2]" 4
217 1 59 GLU HA 1 60 ASP HA 5.000 . 6.000 4.722 4.597 4.912 . 0 0 "[ . 1 . 2]" 4
218 1 67 ILE HG13 1 68 ASN HA 5.000 . 6.000 4.893 3.657 5.750 . 0 0 "[ . 1 . 2]" 4
219 1 67 ILE HB 1 68 ASN HA 5.000 . 6.000 4.644 4.083 4.805 . 0 0 "[ . 1 . 2]" 4
220 1 72 ASP HB2 1 73 GLU HB2 5.000 . 6.000 5.743 5.590 6.009 0.009 19 0 "[ . 1 . 2]" 4
221 1 80 ILE HG13 1 81 THR HA 5.000 . 6.000 3.927 3.201 4.826 . 0 0 "[ . 1 . 2]" 4
222 1 85 ASP HA 1 86 HIS HD2 5.000 . 6.000 5.590 3.323 6.109 0.109 13 0 "[ . 1 . 2]" 4
223 1 84 PRO HB2 1 85 ASP HA 5.000 . 6.000 4.050 3.786 4.339 . 0 0 "[ . 1 . 2]" 4
224 1 86 HIS HD2 1 87 LYS HA 5.000 . 6.000 5.442 3.861 6.172 0.172 15 0 "[ . 1 . 2]" 4
225 1 87 LYS HB3 1 88 PRO HB3 5.000 . 6.000 5.843 5.342 6.153 0.153 12 0 "[ . 1 . 2]" 4
226 1 95 GLU H 1 96 LYS HG2 5.000 . 6.000 5.259 3.275 6.094 0.094 7 0 "[ . 1 . 2]" 4
227 1 95 GLU H 1 96 LYS HG3 5.000 . 6.000 4.110 2.926 5.072 . 0 0 "[ . 1 . 2]" 4
228 1 90 SER HB3 1 91 TRP HD1 5.000 . 6.000 5.810 5.230 6.027 0.027 11 0 "[ . 1 . 2]" 4
229 1 90 SER HB2 1 91 TRP HD1 5.000 . 6.000 5.833 5.648 6.021 0.021 14 0 "[ . 1 . 2]" 4
230 1 92 VAL HB 1 93 ALA HA 5.000 . 6.000 4.763 4.341 5.204 . 0 0 "[ . 1 . 2]" 4
231 1 94 ALA HA 1 95 GLU HB2 5.000 . 6.000 4.482 3.881 5.804 . 0 0 "[ . 1 . 2]" 4
232 1 96 LYS HA 1 97 MET HA 5.000 . 6.000 4.309 4.195 4.402 . 0 0 "[ . 1 . 2]" 4
233 1 109 LYS HA 1 110 ARG HD3 5.000 . 6.000 5.634 5.137 6.071 0.071 5 0 "[ . 1 . 2]" 4
234 1 20 ASN HA 1 21 GLU HA 5.000 . 6.000 4.433 4.337 4.544 . 0 0 "[ . 1 . 2]" 4
235 1 21 GLU HA 1 22 SER HA 5.000 . 6.000 4.447 4.387 4.503 . 0 0 "[ . 1 . 2]" 4
236 1 100 THR HB 1 101 HIS HA 5.000 . 6.000 4.583 4.258 4.922 . 0 0 "[ . 1 . 2]" 4
237 1 82 ILE HA 1 83 PRO HD3 5.000 . 6.000 2.200 1.773 2.594 0.027 19 0 "[ . 1 . 2]" 4
238 1 87 LYS HG3 1 88 PRO HD2 5.000 . 6.000 4.821 2.914 5.390 . 0 0 "[ . 1 . 2]" 4
239 1 87 LYS HG2 1 88 PRO HD2 5.000 . 6.000 4.023 2.277 4.943 . 0 0 "[ . 1 . 2]" 4
240 1 87 LYS HG2 1 88 PRO HD3 5.000 . 6.000 4.531 3.551 5.842 . 0 0 "[ . 1 . 2]" 4
241 1 87 LYS HG3 1 88 PRO HD3 5.000 . 6.000 5.004 3.634 5.601 . 0 0 "[ . 1 . 2]" 4
242 1 24 TYR HB3 1 25 PRO HG3 5.000 . 6.000 5.036 4.822 5.240 . 0 0 "[ . 1 . 2]" 4
243 1 24 TYR HB2 1 25 PRO HG3 5.000 . 6.000 5.787 5.638 5.929 . 0 0 "[ . 1 . 2]" 4
244 1 53 PRO HA 1 54 PRO HG3 5.000 . 6.000 4.434 4.109 4.905 . 0 0 "[ . 1 . 2]" 4
245 1 53 PRO HB2 1 54 PRO HG2 5.000 . 6.000 4.296 3.227 4.910 . 0 0 "[ . 1 . 2]" 4
246 1 53 PRO HB2 1 54 PRO HG3 5.000 . 6.000 4.900 4.366 5.222 . 0 0 "[ . 1 . 2]" 4
247 1 80 ILE HG13 1 81 THR HB 5.000 . 6.000 5.454 5.104 6.264 0.264 8 0 "[ . 1 . 2]" 4
248 1 80 ILE HG12 1 81 THR HB 5.000 . 6.000 5.892 5.369 6.175 0.175 13 0 "[ . 1 . 2]" 4
249 1 80 ILE HA 1 81 THR HB 5.000 . 6.000 4.535 4.295 4.720 . 0 0 "[ . 1 . 2]" 4
250 1 45 ALA HA 1 46 SER HA 5.000 . 6.000 4.363 4.296 5.050 . 0 0 "[ . 1 . 2]" 4
251 1 82 ILE HG12 1 83 PRO HD3 5.000 . 6.000 5.469 4.280 6.053 0.053 5 0 "[ . 1 . 2]" 4
252 1 14 THR HA 1 15 ASP HA 5.000 . 6.000 4.376 4.312 4.410 . 0 0 "[ . 1 . 2]" 4
253 1 53 PRO HA 1 54 PRO HA 5.000 . 6.000 4.470 4.402 4.511 . 0 0 "[ . 1 . 2]" 4
254 1 16 GLU H 1 17 VAL H 4.000 . 5.000 4.261 4.061 4.345 . 0 0 "[ . 1 . 2]" 4
255 1 15 ASP HA 1 16 GLU H 2.500 . 3.000 2.490 2.352 2.718 . 0 0 "[ . 1 . 2]" 4
256 1 15 ASP HB2 1 16 GLU H 4.000 . 5.000 4.073 3.813 4.256 . 0 0 "[ . 1 . 2]" 4
257 1 15 ASP HB3 1 16 GLU H 4.000 . 5.000 3.318 2.840 3.649 . 0 0 "[ . 1 . 2]" 4
258 1 13 PHE HB2 1 14 THR H 4.000 . 5.000 4.251 4.126 4.450 . 0 0 "[ . 1 . 2]" 4
259 1 49 GLU H 1 50 LEU H 4.000 . 5.000 2.700 2.529 2.884 . 0 0 "[ . 1 . 2]" 4
260 1 16 GLU HA 1 17 VAL H 2.500 . 3.000 2.230 2.120 2.300 . 0 0 "[ . 1 . 2]" 4
261 1 31 PRO HB2 1 32 ALA H 4.000 . 5.000 3.831 3.436 4.187 . 0 0 "[ . 1 . 2]" 4
262 1 31 PRO HA 1 32 ALA H 4.000 . 5.000 2.128 2.028 2.249 . 0 0 "[ . 1 . 2]" 4
263 1 35 THR HB 1 36 TYR H 4.000 . 5.000 2.384 2.229 2.881 . 0 0 "[ . 1 . 2]" 4
264 1 35 THR HA 1 36 TYR H 4.000 . 5.000 3.592 3.543 3.620 . 0 0 "[ . 1 . 2]" 4
265 1 36 TYR HA 1 37 THR H 2.500 . 3.000 2.136 2.020 2.230 . 0 0 "[ . 1 . 2]" 4
266 1 36 TYR HB3 1 37 THR H 4.000 . 5.000 3.056 2.851 3.219 . 0 0 "[ . 1 . 2]" 4
267 1 41 GLY H 1 42 ASP H 4.000 . 5.000 2.352 1.799 2.785 0.001 8 0 "[ . 1 . 2]" 4
268 1 40 ASN HA 1 41 GLY H 4.000 . 5.000 3.368 3.149 3.604 . 0 0 "[ . 1 . 2]" 4
269 1 43 LYS HA 1 44 ALA H 3.000 . 3.500 2.094 2.022 2.167 . 0 0 "[ . 1 . 2]" 4
270 1 45 ALA HA 1 46 SER H 2.500 . 3.000 2.406 2.130 3.343 0.343 5 0 "[ . 1 . 2]" 4
271 1 59 GLU HA 1 60 ASP H 4.000 . 5.000 3.501 3.455 3.547 . 0 0 "[ . 1 . 2]" 4
272 1 59 GLU H 1 60 ASP H 4.000 . 5.000 2.108 1.721 2.617 0.079 3 0 "[ . 1 . 2]" 4
273 1 64 SER HA 1 65 TYR H 2.500 . 3.000 2.561 2.298 2.997 . 0 0 "[ . 1 . 2]" 4
274 1 65 TYR H 1 66 ASP H 4.000 . 5.000 4.554 4.460 4.630 . 0 0 "[ . 1 . 2]" 4
275 1 70 ALA HA 1 71 VAL H 2.500 . 3.000 2.233 2.183 2.334 . 0 0 "[ . 1 . 2]" 4
276 1 70 ALA H 1 71 VAL H 4.000 . 5.000 3.893 3.663 3.998 . 0 0 "[ . 1 . 2]" 4
277 1 71 VAL HA 1 72 ASP H 4.000 . 5.000 2.375 2.094 2.811 . 0 0 "[ . 1 . 2]" 4
278 1 72 ASP HB2 1 73 GLU H 4.000 . 5.000 3.741 3.646 3.817 . 0 0 "[ . 1 . 2]" 4
279 1 74 LYS HA 1 75 GLY H 4.000 . 5.000 3.230 3.010 3.515 . 0 0 "[ . 1 . 2]" 4
280 1 76 TRP HA 1 77 GLU H 2.500 . 3.000 2.203 2.042 2.647 . 0 0 "[ . 1 . 2]" 4
281 1 90 SER H 1 91 TRP H 4.000 . 5.000 4.271 4.099 4.498 . 0 0 "[ . 1 . 2]" 4
282 1 90 SER HB2 1 91 TRP H 4.000 . 5.000 4.032 3.706 4.277 . 0 0 "[ . 1 . 2]" 4
283 1 92 VAL HA 1 93 ALA H 4.000 . 5.000 2.692 2.343 3.529 . 0 0 "[ . 1 . 2]" 4
284 1 103 ARG HA 1 104 ARG H 3.500 . 4.000 2.328 2.156 2.430 . 0 0 "[ . 1 . 2]" 4
285 1 105 ARG HA 1 106 LEU H 4.000 . 5.000 2.166 2.113 2.236 . 0 0 "[ . 1 . 2]" 4
286 1 106 LEU HB2 1 107 VAL H 4.000 . 5.000 3.990 3.779 4.093 . 0 0 "[ . 1 . 2]" 4
287 1 4 PHE H 1 5 THR H 4.000 . 5.000 2.805 1.952 4.459 . 0 0 "[ . 1 . 2]" 4
288 1 12 GLU HA 1 13 PHE H 3.000 . 3.500 2.316 2.159 2.516 . 0 0 "[ . 1 . 2]" 4
289 1 16 GLU HB2 1 17 VAL H 4.000 . 5.000 2.817 2.539 3.026 . 0 0 "[ . 1 . 2]" 4
290 1 19 GLN HA 1 20 ASN H 2.500 . 3.000 2.159 2.049 2.270 . 0 0 "[ . 1 . 2]" 4
291 1 29 TRP HA 1 30 LYS H 3.000 . 3.500 2.143 2.062 2.231 . 0 0 "[ . 1 . 2]" 4
292 1 29 TRP HB3 1 30 LYS H 4.000 . 5.000 2.946 2.613 3.357 . 0 0 "[ . 1 . 2]" 4
293 1 33 GLU H 1 34 ASP H 4.000 . 5.000 2.238 1.714 3.372 0.086 18 0 "[ . 1 . 2]" 4
294 1 33 GLU HB3 1 34 ASP H 4.000 . 5.000 3.694 3.274 4.296 . 0 0 "[ . 1 . 2]" 4
295 1 34 ASP HA 1 35 THR H 2.500 . 3.000 2.227 2.152 2.461 . 0 0 "[ . 1 . 2]" 4
296 1 38 ASP HB3 1 39 ALA H 4.000 . 5.000 3.522 2.184 3.843 . 0 0 "[ . 1 . 2]" 4
297 1 38 ASP HA 1 39 ALA H 4.000 . 5.000 2.548 2.471 2.678 . 0 0 "[ . 1 . 2]" 4
298 1 39 ALA H 1 40 ASN H 4.000 . 5.000 2.938 2.808 3.104 . 0 0 "[ . 1 . 2]" 4
299 1 39 ALA HA 1 40 ASN H 4.000 . 5.000 3.517 3.472 3.584 . 0 0 "[ . 1 . 2]" 4
300 1 41 GLY HA2 1 42 ASP H 4.000 . 5.000 3.204 2.539 3.371 . 0 0 "[ . 1 . 2]" 4
301 1 41 GLY HA3 1 42 ASP H 4.000 . 5.000 3.181 3.071 3.568 . 0 0 "[ . 1 . 2]" 4
302 1 46 SER H 1 47 PRO HD3 4.000 . 5.000 5.009 4.441 5.138 0.138 15 0 "[ . 1 . 2]" 4
303 1 48 SER H 1 49 GLU H 4.000 . 5.000 2.477 2.138 2.662 . 0 0 "[ . 1 . 2]" 4
304 1 50 LEU HA 1 51 THR H 2.500 . 3.000 2.101 2.026 2.166 . 0 0 "[ . 1 . 2]" 4
305 1 50 LEU HB2 1 51 THR H 4.000 . 5.000 4.433 4.331 4.589 . 0 0 "[ . 1 . 2]" 4
306 1 50 LEU H 1 51 THR H 4.000 . 5.000 4.372 4.232 4.458 . 0 0 "[ . 1 . 2]" 4
307 1 51 THR H 1 52 CYS H 4.000 . 5.000 4.446 4.355 4.520 . 0 0 "[ . 1 . 2]" 4
308 1 54 PRO HA 1 55 GLY H 4.000 . 5.000 2.869 2.159 3.623 . 0 0 "[ . 1 . 2]" 4
309 1 55 GLY H 1 56 TRP H 4.000 . 5.000 2.328 1.924 2.768 . 0 0 "[ . 1 . 2]" 4
310 1 56 TRP H 1 57 GLU H 4.000 . 5.000 4.296 4.205 4.526 . 0 0 "[ . 1 . 2]" 4
311 1 56 TRP HB2 1 57 GLU H 4.000 . 5.000 4.086 3.919 4.250 . 0 0 "[ . 1 . 2]" 4
312 1 61 ASP H 1 62 ALA H 4.000 . 5.000 2.955 2.244 4.267 . 0 0 "[ . 1 . 2]" 4
313 1 61 ASP HB2 1 62 ALA H 4.000 . 5.000 3.627 2.294 4.375 . 0 0 "[ . 1 . 2]" 4
314 1 66 ASP H 1 67 ILE H 4.000 . 5.000 4.395 4.266 4.511 . 0 0 "[ . 1 . 2]" 4
315 1 68 ASN HB2 1 69 ARG H 4.000 . 5.000 4.468 4.045 4.714 . 0 0 "[ . 1 . 2]" 4
316 1 68 ASN HB3 1 69 ARG H 4.000 . 5.000 4.116 3.803 4.429 . 0 0 "[ . 1 . 2]" 4
317 1 68 ASN HA 1 69 ARG H 4.000 . 5.000 2.915 2.667 3.173 . 0 0 "[ . 1 . 2]" 4
318 1 68 ASN H 1 69 ARG H 4.000 . 5.000 2.735 2.118 3.050 . 0 0 "[ . 1 . 2]" 4
319 1 69 ARG HB3 1 70 ALA H 2.500 . 3.000 2.157 1.913 3.137 0.137 17 0 "[ . 1 . 2]" 4
320 1 69 ARG HB2 1 70 ALA H 4.000 . 5.000 3.414 3.043 3.842 . 0 0 "[ . 1 . 2]" 4
321 1 71 VAL H 1 72 ASP H 4.000 . 5.000 4.349 4.271 4.415 . 0 0 "[ . 1 . 2]" 4
322 1 71 VAL HB 1 72 ASP H 4.000 . 5.000 2.467 1.779 2.867 0.021 18 0 "[ . 1 . 2]" 4
323 1 73 GLU HA 1 74 LYS H 4.000 . 5.000 3.485 3.406 3.528 . 0 0 "[ . 1 . 2]" 4
324 1 73 GLU H 1 74 LYS H 4.000 . 5.000 2.652 2.457 2.821 . 0 0 "[ . 1 . 2]" 4
325 1 75 GLY HA3 1 76 TRP H 4.000 . 5.000 3.098 2.122 3.556 . 0 0 "[ . 1 . 2]" 4
326 1 76 TRP HB2 1 77 GLU H 4.000 . 5.000 4.130 3.186 4.449 . 0 0 "[ . 1 . 2]" 4
327 1 77 GLU HA 1 78 TYR H 3.000 . 3.500 2.186 2.104 2.340 . 0 0 "[ . 1 . 2]" 4
328 1 78 TYR HA 1 79 GLY H 4.000 . 5.000 2.293 1.985 2.401 . 0 0 "[ . 1 . 2]" 4
329 1 79 GLY HA2 1 80 ILE H 4.000 . 5.000 2.203 2.118 2.332 . 0 0 "[ . 1 . 2]" 4
330 1 79 GLY H 1 80 ILE H 4.000 . 5.000 4.123 3.801 4.393 . 0 0 "[ . 1 . 2]" 4
331 1 80 ILE HA 1 81 THR H 4.000 . 5.000 2.244 2.121 2.535 . 0 0 "[ . 1 . 2]" 4
332 1 84 PRO HG3 1 85 ASP H 4.000 . 5.000 5.136 5.056 5.214 0.214 17 0 "[ . 1 . 2]" 4
333 1 88 PRO HG3 1 89 LYS H 4.000 . 5.000 4.977 4.501 5.093 0.093 2 0 "[ . 1 . 2]" 4
334 1 88 PRO HB3 1 89 LYS H 4.000 . 5.000 3.543 2.566 3.876 . 0 0 "[ . 1 . 2]" 4
335 1 89 LYS H 1 90 SER H 4.000 . 5.000 2.297 1.851 2.889 . 0 0 "[ . 1 . 2]" 4
336 1 89 LYS HG2 1 90 SER H 4.000 . 5.000 3.688 2.594 5.039 0.039 17 0 "[ . 1 . 2]" 4
337 1 89 LYS HB2 1 90 SER H 4.000 . 5.000 3.423 2.089 4.376 . 0 0 "[ . 1 . 2]" 4
338 1 90 SER HA 1 91 TRP H 3.000 . 3.500 2.151 2.031 2.278 . 0 0 "[ . 1 . 2]" 4
339 1 91 TRP HB2 1 92 VAL H 4.000 . 5.000 3.889 3.737 4.017 . 0 0 "[ . 1 . 2]" 4
340 1 91 TRP HA 1 92 VAL H 3.500 . 4.000 2.201 2.127 2.277 . 0 0 "[ . 1 . 2]" 4
341 1 93 ALA H 1 94 ALA H 4.000 . 5.000 3.097 1.785 4.343 0.015 18 0 "[ . 1 . 2]" 4
342 1 95 GLU HB2 1 96 LYS H 4.000 . 5.000 4.288 3.457 4.505 . 0 0 "[ . 1 . 2]" 4
343 1 97 MET HB3 1 98 TYR H 4.000 . 5.000 2.800 2.384 4.372 . 0 0 "[ . 1 . 2]" 4
344 1 97 MET HA 1 98 TYR H 4.000 . 5.000 3.579 3.112 3.685 . 0 0 "[ . 1 . 2]" 4
345 1 98 TYR H 1 99 HIS H 4.000 . 5.000 2.885 2.282 3.155 . 0 0 "[ . 1 . 2]" 4
346 1 97 MET H 1 98 TYR H 4.000 . 5.000 2.977 2.421 3.164 . 0 0 "[ . 1 . 2]" 4
347 1 98 TYR HB3 1 99 HIS H 4.000 . 5.000 4.311 4.058 4.660 . 0 0 "[ . 1 . 2]" 4
348 1 100 THR HA 1 101 HIS H 4.000 . 5.000 3.389 3.290 3.489 . 0 0 "[ . 1 . 2]" 4
349 1 108 ARG HA 1 109 LYS H 2.500 . 3.000 2.151 2.048 2.272 . 0 0 "[ . 1 . 2]" 4
350 1 111 LYS HB3 1 112 LYS H 4.000 . 5.000 3.934 2.942 4.230 . 0 0 "[ . 1 . 2]" 4
351 1 112 LYS HG2 1 113 ASP H 4.000 . 5.000 4.386 4.172 5.017 0.017 15 0 "[ . 1 . 2]" 4
352 1 112 LYS HG3 1 113 ASP H 4.000 . 5.000 4.972 4.346 5.096 0.096 9 0 "[ . 1 . 2]" 4
353 1 112 LYS HB3 1 113 ASP H 4.000 . 5.000 3.056 2.862 3.750 . 0 0 "[ . 1 . 2]" 4
354 1 107 VAL HA 1 108 ARG H 4.000 . 5.000 2.053 1.957 2.130 . 0 0 "[ . 1 . 2]" 4
355 1 48 SER HB3 1 49 GLU H 4.000 . 5.000 3.417 2.325 3.859 . 0 0 "[ . 1 . 2]" 4
356 1 20 ASN HA 1 21 GLU H 2.500 . 3.000 2.124 2.018 2.305 . 0 0 "[ . 1 . 2]" 4
357 1 20 ASN HB3 1 21 GLU H 4.000 . 5.000 3.045 2.617 3.777 . 0 0 "[ . 1 . 2]" 4
358 1 21 GLU HA 1 22 SER H 2.500 . 3.000 2.424 2.296 2.660 . 0 0 "[ . 1 . 2]" 4
359 1 22 SER HA 1 23 ARG H 3.000 . 3.500 2.226 2.103 2.309 . 0 0 "[ . 1 . 2]" 4
360 1 26 GLY HA2 1 27 GLY H 4.000 . 5.000 2.801 2.413 3.405 . 0 0 "[ . 1 . 2]" 4
361 1 65 TYR HA 1 66 ASP H 4.000 . 5.000 2.212 2.088 2.362 . 0 0 "[ . 1 . 2]" 4
362 1 104 ARG HA 1 105 ARG H 2.500 . 3.000 2.300 2.148 2.400 . 0 0 "[ . 1 . 2]" 4
363 1 61 ASP HA 1 62 ALA H 4.000 . 5.000 3.351 2.015 3.666 . 0 0 "[ . 1 . 2]" 4
364 1 63 TRP HA 1 64 SER H 4.000 . 5.000 2.110 2.067 2.178 . 0 0 "[ . 1 . 2]" 4
365 1 63 TRP HB2 1 64 SER H 4.000 . 5.000 4.135 3.927 4.368 . 0 0 "[ . 1 . 2]" 4
366 1 66 ASP HA 1 67 ILE H 3.000 . 3.500 2.105 2.044 2.169 . 0 0 "[ . 1 . 2]" 4
367 1 72 ASP HB3 1 73 GLU H 4.000 . 5.000 3.409 2.801 3.619 . 0 0 "[ . 1 . 2]" 4
368 1 75 GLY H 1 76 TRP H 4.000 . 5.000 2.757 2.468 4.236 . 0 0 "[ . 1 . 2]" 4
369 1 78 TYR H 1 79 GLY H 4.000 . 5.000 4.208 4.007 4.336 . 0 0 "[ . 1 . 2]" 4
370 1 79 GLY HA3 1 80 ILE H 4.000 . 5.000 3.358 2.925 3.522 . 0 0 "[ . 1 . 2]" 4
371 1 80 ILE HB 1 81 THR H 4.000 . 5.000 3.199 1.876 4.089 . 0 0 "[ . 1 . 2]" 4
372 1 80 ILE HG12 1 81 THR H 4.000 . 5.000 3.982 3.041 4.967 . 0 0 "[ . 1 . 2]" 4
373 1 89 LYS HB3 1 90 SER H 4.000 . 5.000 4.074 3.379 4.481 . 0 0 "[ . 1 . 2]" 4
374 1 91 TRP H 1 92 VAL H 4.000 . 5.000 4.302 4.239 4.357 . 0 0 "[ . 1 . 2]" 4
375 1 91 TRP HB3 1 92 VAL H 4.000 . 5.000 2.995 2.775 3.229 . 0 0 "[ . 1 . 2]" 4
376 1 94 ALA H 1 95 GLU H 4.000 . 5.000 4.334 4.267 4.496 . 0 0 "[ . 1 . 2]" 4
377 1 92 VAL HB 1 93 ALA H 4.000 . 5.000 2.919 1.755 3.849 0.045 10 0 "[ . 1 . 2]" 4
378 1 94 ALA HA 1 95 GLU H 2.500 . 3.000 2.402 2.122 2.830 . 0 0 "[ . 1 . 2]" 4
379 1 95 GLU HG3 1 96 LYS H 4.000 . 5.000 3.813 1.912 5.090 0.090 6 0 "[ . 1 . 2]" 4
380 1 95 GLU HG2 1 96 LYS H 4.000 . 5.000 4.213 2.561 5.037 0.037 15 0 "[ . 1 . 2]" 4
381 1 97 MET HB2 1 98 TYR H 4.000 . 5.000 3.945 3.699 4.320 . 0 0 "[ . 1 . 2]" 4
382 1 96 LYS HB3 1 97 MET H 4.000 . 5.000 2.779 2.026 3.999 . 0 0 "[ . 1 . 2]" 4
383 1 97 MET HG3 1 98 TYR H 4.000 . 5.000 4.654 2.309 5.019 0.019 3 0 "[ . 1 . 2]" 4
384 1 55 GLY HA2 1 56 TRP H 4.000 . 5.000 3.276 3.013 3.596 . 0 0 "[ . 1 . 2]" 4
385 1 55 GLY HA3 1 56 TRP H 4.000 . 5.000 3.265 2.688 3.525 . 0 0 "[ . 1 . 2]" 4
386 1 32 ALA HA 1 33 GLU H 4.000 . 5.000 2.957 2.178 3.496 . 0 0 "[ . 1 . 2]" 4
387 1 33 GLU HA 1 34 ASP H 4.000 . 5.000 3.427 3.178 3.491 . 0 0 "[ . 1 . 2]" 4
388 1 33 GLU HB2 1 34 ASP H 4.000 . 5.000 3.082 2.025 4.033 . 0 0 "[ . 1 . 2]" 4
389 1 35 THR H 1 36 TYR H 4.000 . 5.000 2.831 2.425 2.992 . 0 0 "[ . 1 . 2]" 4
390 1 34 ASP HB2 1 35 THR H 4.000 . 5.000 4.353 3.647 4.481 . 0 0 "[ . 1 . 2]" 4
391 1 34 ASP HB3 1 35 THR H 4.000 . 5.000 3.805 2.578 4.173 . 0 0 "[ . 1 . 2]" 4
392 1 36 TYR H 1 37 THR H 4.000 . 5.000 4.457 4.391 4.514 . 0 0 "[ . 1 . 2]" 4
393 1 37 THR HA 1 38 ASP H 4.000 . 5.000 2.439 2.300 2.596 . 0 0 "[ . 1 . 2]" 4
394 1 37 THR HB 1 38 ASP H 4.000 . 5.000 2.100 1.899 2.447 . 0 0 "[ . 1 . 2]" 4
395 1 38 ASP HB2 1 39 ALA H 4.000 . 5.000 3.636 2.333 4.054 . 0 0 "[ . 1 . 2]" 4
396 1 38 ASP H 1 39 ALA H 4.000 . 5.000 4.425 4.279 4.512 . 0 0 "[ . 1 . 2]" 4
397 1 44 ALA H 1 45 ALA H 4.000 . 5.000 4.378 4.328 4.455 . 0 0 "[ . 1 . 2]" 4
398 1 4 PHE HA 1 5 THR H 4.000 . 5.000 3.286 2.055 3.578 . 0 0 "[ . 1 . 2]" 4
399 1 4 PHE HB2 1 5 THR H 4.000 . 5.000 3.071 2.096 4.549 . 0 0 "[ . 1 . 2]" 4
400 1 5 THR H 1 6 ALA H 4.000 . 5.000 3.341 1.856 4.496 . 0 0 "[ . 1 . 2]" 4
401 1 8 ALA HA 1 9 GLY H 4.000 . 5.000 3.016 2.154 3.581 . 0 0 "[ . 1 . 2]" 4
402 1 13 PHE H 1 14 THR H 4.000 . 5.000 4.203 3.783 4.393 . 0 0 "[ . 1 . 2]" 4
403 1 17 VAL H 1 18 TYR H 4.000 . 5.000 4.263 4.080 4.346 . 0 0 "[ . 1 . 2]" 4
404 1 17 VAL HA 1 18 TYR H 2.500 . 3.000 2.502 2.112 2.752 . 0 0 "[ . 1 . 2]" 4
405 1 17 VAL HB 1 18 TYR H 4.000 . 5.000 3.772 3.025 4.068 . 0 0 "[ . 1 . 2]" 4
406 1 18 TYR HA 1 19 GLN H 2.500 . 3.000 2.183 2.113 2.239 . 0 0 "[ . 1 . 2]" 4
407 1 22 SER HB2 1 23 ARG H 4.000 . 5.000 3.518 2.481 4.104 . 0 0 "[ . 1 . 2]" 4
408 1 22 SER HB3 1 23 ARG H 4.000 . 5.000 3.290 2.555 4.018 . 0 0 "[ . 1 . 2]" 4
409 1 25 PRO HB2 1 26 GLY H 4.000 . 5.000 4.309 4.196 4.358 . 0 0 "[ . 1 . 2]" 4
410 1 25 PRO HB3 1 26 GLY H 4.000 . 5.000 4.297 4.167 4.531 . 0 0 "[ . 1 . 2]" 4
411 1 27 GLY H 1 28 ASP H 4.000 . 5.000 4.250 3.655 4.639 . 0 0 "[ . 1 . 2]" 4
412 1 57 GLU H 1 58 TRP H 4.000 . 5.000 4.333 4.255 4.375 . 0 0 "[ . 1 . 2]" 4
413 1 64 SER H 1 65 TYR H 4.000 . 5.000 4.362 4.191 4.578 . 0 0 "[ . 1 . 2]" 4
414 1 77 GLU H 1 78 TYR H 4.000 . 5.000 4.378 4.249 4.489 . 0 0 "[ . 1 . 2]" 4
415 1 92 VAL H 1 93 ALA H 4.000 . 5.000 4.247 3.326 4.379 . 0 0 "[ . 1 . 2]" 4
416 1 95 GLU H 1 96 LYS H 4.000 . 5.000 3.835 2.064 4.521 . 0 0 "[ . 1 . 2]" 4
417 1 100 THR H 1 101 HIS H 3.000 . 3.500 1.900 1.642 2.304 0.158 7 0 "[ . 1 . 2]" 4
418 1 23 ARG HA 1 24 TYR H 2.500 . 3.000 2.335 2.253 2.399 . 0 0 "[ . 1 . 2]" 4
419 1 3 PRO HD2 1 4 PHE H 4.000 . 5.000 3.970 2.477 5.204 0.204 2 0 "[ . 1 . 2]" 4
420 1 7 ASP HA 1 8 ALA H 4.000 . 5.000 2.246 2.018 3.528 . 0 0 "[ . 1 . 2]" 4
421 1 14 THR HA 1 15 ASP H 2.500 . 3.000 2.185 2.071 2.253 . 0 0 "[ . 1 . 2]" 4
422 1 20 ASN HB2 1 21 GLU H 4.000 . 5.000 3.537 2.107 4.222 . 0 0 "[ . 1 . 2]" 4
423 1 23 ARG H 1 24 TYR H 4.000 . 5.000 4.277 4.163 4.365 . 0 0 "[ . 1 . 2]" 4
424 1 25 PRO HA 1 26 GLY H 4.000 . 5.000 2.361 2.235 2.688 . 0 0 "[ . 1 . 2]" 4
425 1 29 TRP H 1 30 LYS H 4.000 . 5.000 4.488 4.420 4.551 . 0 0 "[ . 1 . 2]" 4
426 1 29 TRP HB2 1 30 LYS H 4.000 . 5.000 3.818 3.581 4.109 . 0 0 "[ . 1 . 2]" 4
427 1 32 ALA H 1 33 GLU H 4.000 . 5.000 3.906 2.850 4.651 . 0 0 "[ . 1 . 2]" 4
428 1 60 ASP HB2 1 61 ASP H 4.000 . 5.000 3.972 3.633 4.231 . 0 0 "[ . 1 . 2]" 4
429 1 60 ASP HB3 1 61 ASP H 4.000 . 5.000 3.089 2.408 4.001 . 0 0 "[ . 1 . 2]" 4
430 1 62 ALA H 1 63 TRP H 4.000 . 5.000 4.251 4.127 4.425 . 0 0 "[ . 1 . 2]" 4
431 1 12 GLU H 1 13 PHE H 4.000 . 5.000 4.273 4.135 4.425 . 0 0 "[ . 1 . 2]" 4
432 1 43 LYS H 1 44 ALA H 4.000 . 5.000 4.470 4.388 4.569 . 0 0 "[ . 1 . 2]" 4
433 1 49 GLU HB2 1 50 LEU H 4.000 . 5.000 3.300 2.672 4.172 . 0 0 "[ . 1 . 2]" 4
434 1 49 GLU HB3 1 50 LEU H 4.000 . 5.000 3.647 2.820 4.283 . 0 0 "[ . 1 . 2]" 4
435 1 50 LEU HG 1 51 THR H 4.000 . 5.000 4.865 4.009 5.125 0.125 5 0 "[ . 1 . 2]" 4
436 1 56 TRP HE3 1 57 GLU H 4.000 . 5.000 2.867 2.403 3.403 . 0 0 "[ . 1 . 2]" 4
437 1 57 GLU HA 1 58 TRP H 2.500 . 3.000 2.288 2.175 2.447 . 0 0 "[ . 1 . 2]" 4
438 1 58 TRP HB2 1 59 GLU H 4.000 . 5.000 4.085 3.606 4.489 . 0 0 "[ . 1 . 2]" 4
439 1 58 TRP HB3 1 59 GLU H 4.000 . 5.000 3.144 2.428 3.872 . 0 0 "[ . 1 . 2]" 4
440 1 59 GLU HG3 1 60 ASP H 4.000 . 5.000 4.298 2.335 5.003 0.003 7 0 "[ . 1 . 2]" 4
441 1 59 GLU HB2 1 60 ASP H 4.000 . 5.000 3.752 2.377 4.067 . 0 0 "[ . 1 . 2]" 4
442 1 63 TRP H 1 64 SER H 4.000 . 5.000 4.420 3.946 4.563 . 0 0 "[ . 1 . 2]" 4
443 1 66 ASP HB3 1 67 ILE H 4.000 . 5.000 4.193 3.977 4.312 . 0 0 "[ . 1 . 2]" 4
444 1 72 ASP H 1 73 GLU H 4.000 . 5.000 4.568 4.286 4.702 . 0 0 "[ . 1 . 2]" 4
445 1 72 ASP HA 1 73 GLU H 4.000 . 5.000 2.539 2.342 2.755 . 0 0 "[ . 1 . 2]" 4
446 1 73 GLU H 1 74 LYS HB2 4.000 . 5.000 4.976 4.689 5.065 0.065 17 0 "[ . 1 . 2]" 4
447 1 80 ILE H 1 81 THR H 4.000 . 5.000 4.431 4.322 4.526 . 0 0 "[ . 1 . 2]" 4
448 1 81 THR H 1 82 ILE H 4.000 . 5.000 4.009 3.343 4.294 . 0 0 "[ . 1 . 2]" 4
449 1 96 LYS HA 1 97 MET H 4.000 . 5.000 2.260 2.143 2.635 . 0 0 "[ . 1 . 2]" 4
450 1 99 HIS H 1 100 THR H 4.000 . 5.000 4.371 4.141 4.626 . 0 0 "[ . 1 . 2]" 4
451 1 99 HIS HD2 1 100 THR H 4.000 . 5.000 3.972 2.835 5.016 0.016 11 0 "[ . 1 . 2]" 4
452 1 101 HIS HD2 1 102 ARG H 4.000 . 5.000 4.530 2.892 5.116 0.116 13 0 "[ . 1 . 2]" 4
453 1 101 HIS HB3 1 102 ARG H 4.000 . 5.000 2.946 2.566 3.690 . 0 0 "[ . 1 . 2]" 4
454 1 101 HIS HB2 1 102 ARG H 4.000 . 5.000 4.087 3.785 4.443 . 0 0 "[ . 1 . 2]" 4
455 1 105 ARG H 1 106 LEU H 4.000 . 5.000 4.363 4.235 4.456 . 0 0 "[ . 1 . 2]" 4
456 1 107 VAL H 1 108 ARG H 4.000 . 5.000 4.366 4.269 4.460 . 0 0 "[ . 1 . 2]" 4
457 1 108 ARG H 1 109 LYS H 4.000 . 5.000 3.928 3.743 4.030 . 0 0 "[ . 1 . 2]" 4
458 1 106 LEU HB3 1 107 VAL H 4.000 . 5.000 3.132 2.893 3.305 . 0 0 "[ . 1 . 2]" 4
459 1 107 VAL HB 1 108 ARG H 4.000 . 5.000 2.883 2.479 3.153 . 0 0 "[ . 1 . 2]" 4
460 1 110 ARG H 1 111 LYS H 4.000 . 5.000 4.226 4.124 4.293 . 0 0 "[ . 1 . 2]" 4
461 1 109 LYS HA 1 110 ARG H 3.000 . 3.500 2.364 2.289 2.431 . 0 0 "[ . 1 . 2]" 4
462 1 112 LYS H 1 113 ASP H 4.000 . 5.000 1.931 1.760 2.119 0.040 2 0 "[ . 1 . 2]" 4
463 1 111 LYS H 1 112 LYS H 4.000 . 5.000 4.281 4.205 4.426 . 0 0 "[ . 1 . 2]" 4
464 1 114 LEU H 1 115 THR H 4.000 . 5.000 3.031 2.026 3.630 . 0 0 "[ . 1 . 2]" 4
465 1 115 THR H 1 116 GLN H 4.000 . 5.000 2.362 1.734 2.921 0.066 4 0 "[ . 1 . 2]" 4
466 1 114 LEU HB3 1 115 THR H 4.000 . 5.000 3.103 2.437 3.861 . 0 0 "[ . 1 . 2]" 4
467 1 11 THR H 1 12 GLU H 4.000 . 5.000 3.772 3.078 4.406 . 0 0 "[ . 1 . 2]" 4
468 1 3 PRO HA 1 4 PHE H 4.000 . 5.000 2.789 1.954 3.602 . 0 0 "[ . 1 . 2]" 4
469 1 3 PRO HG3 1 4 PHE H 4.000 . 5.000 4.744 3.842 5.096 0.096 20 0 "[ . 1 . 2]" 4
470 1 3 PRO HB3 1 4 PHE H 4.000 . 5.000 3.899 2.748 4.656 . 0 0 "[ . 1 . 2]" 4
471 1 5 THR HB 1 6 ALA H 4.000 . 5.000 3.999 3.206 4.489 . 0 0 "[ . 1 . 2]" 4
472 1 6 ALA HA 1 7 ASP H 4.000 . 5.000 2.678 2.114 3.571 . 0 0 "[ . 1 . 2]" 4
473 1 7 ASP HB2 1 8 ALA H 4.000 . 5.000 4.094 2.916 4.493 . 0 0 "[ . 1 . 2]" 4
474 1 7 ASP HB3 1 8 ALA H 4.000 . 5.000 3.961 2.302 4.457 . 0 0 "[ . 1 . 2]" 4
475 1 14 THR H 1 15 ASP H 4.000 . 5.000 4.536 4.390 4.620 . 0 0 "[ . 1 . 2]" 4
476 1 15 ASP H 1 16 GLU HB3 4.000 . 5.000 4.795 4.658 4.931 . 0 0 "[ . 1 . 2]" 4
477 1 14 THR HB 1 15 ASP H 4.000 . 5.000 4.094 3.970 4.208 . 0 0 "[ . 1 . 2]" 4
478 1 16 GLU HG3 1 17 VAL H 4.000 . 5.000 3.860 3.523 4.655 . 0 0 "[ . 1 . 2]" 4
479 1 18 TYR HB2 1 19 GLN H 4.000 . 5.000 4.009 3.710 4.487 . 0 0 "[ . 1 . 2]" 4
480 1 19 GLN HB3 1 20 ASN H 4.000 . 5.000 4.033 3.404 4.265 . 0 0 "[ . 1 . 2]" 4
481 1 21 GLU HB2 1 22 SER H 4.000 . 5.000 3.775 3.583 4.082 . 0 0 "[ . 1 . 2]" 4
482 1 21 GLU H 1 22 SER H 4.000 . 5.000 4.362 4.284 4.471 . 0 0 "[ . 1 . 2]" 4
483 1 21 GLU HB3 1 22 SER H 4.000 . 5.000 2.620 2.283 2.880 . 0 0 "[ . 1 . 2]" 4
484 1 23 ARG HG2 1 24 TYR H 4.000 . 5.000 4.801 4.683 4.912 . 0 0 "[ . 1 . 2]" 4
485 1 23 ARG HG3 1 24 TYR H 4.000 . 5.000 3.787 3.613 4.001 . 0 0 "[ . 1 . 2]" 4
486 1 23 ARG HB3 1 24 TYR H 4.000 . 5.000 3.854 3.737 3.966 . 0 0 "[ . 1 . 2]" 4
487 1 27 GLY HA2 1 28 ASP H 4.000 . 5.000 2.828 2.675 3.132 . 0 0 "[ . 1 . 2]" 4
488 1 27 GLY HA3 1 28 ASP H 4.000 . 5.000 2.369 1.987 2.852 . 0 0 "[ . 1 . 2]" 4
489 1 44 ALA HA 1 45 ALA H 4.000 . 5.000 2.570 2.412 2.708 . 0 0 "[ . 1 . 2]" 4
490 1 29 TRP HE3 1 30 LYS H 4.000 . 5.000 3.780 3.449 4.041 . 0 0 "[ . 1 . 2]" 4
491 1 30 LYS H 1 31 PRO HD2 4.000 . 5.000 4.975 4.710 5.036 0.036 19 0 "[ . 1 . 2]" 4
492 1 30 LYS H 1 31 PRO HD3 4.000 . 5.000 4.786 4.419 4.933 . 0 0 "[ . 1 . 2]" 4
493 1 37 THR H 1 38 ASP H 4.000 . 5.000 4.326 4.280 4.381 . 0 0 "[ . 1 . 2]" 4
494 1 42 ASP HB3 1 43 LYS H 4.000 . 5.000 4.144 3.610 4.431 . 0 0 "[ . 1 . 2]" 4
495 1 42 ASP HB2 1 43 LYS H 4.000 . 5.000 4.409 4.297 4.537 . 0 0 "[ . 1 . 2]" 4
496 1 43 LYS HB3 1 44 ALA H 4.000 . 5.000 4.174 3.973 4.391 . 0 0 "[ . 1 . 2]" 4
497 1 47 PRO HA 1 48 SER H 4.000 . 5.000 3.523 3.449 3.593 . 0 0 "[ . 1 . 2]" 4
498 1 47 PRO HD3 1 48 SER H 4.000 . 5.000 4.294 4.031 4.491 . 0 0 "[ . 1 . 2]" 4
499 1 47 PRO HD2 1 48 SER H 4.000 . 5.000 3.313 2.992 3.649 . 0 0 "[ . 1 . 2]" 4
500 1 47 PRO HB2 1 48 SER H 4.000 . 5.000 3.018 2.741 3.437 . 0 0 "[ . 1 . 2]" 4
501 1 47 PRO HB3 1 48 SER H 4.000 . 5.000 4.193 4.044 4.315 . 0 0 "[ . 1 . 2]" 4
502 1 56 TRP HB3 1 57 GLU H 4.000 . 5.000 2.964 2.694 3.279 . 0 0 "[ . 1 . 2]" 4
503 1 56 TRP HA 1 57 GLU H 4.000 . 5.000 2.071 1.944 2.180 . 0 0 "[ . 1 . 2]" 4
504 1 58 TRP HE3 1 59 GLU H 4.000 . 5.000 3.249 2.469 3.818 . 0 0 "[ . 1 . 2]" 4
505 1 58 TRP HA 1 59 GLU H 4.000 . 5.000 2.200 2.048 2.363 . 0 0 "[ . 1 . 2]" 4
506 1 74 LYS HB2 1 75 GLY H 4.000 . 5.000 3.598 2.006 4.058 . 0 0 "[ . 1 . 2]" 4
507 1 75 GLY H 1 76 TRP HB2 4.000 . 5.000 4.459 3.887 4.974 . 0 0 "[ . 1 . 2]" 4
508 1 75 GLY H 1 76 TRP HD1 4.000 . 5.000 4.217 2.070 4.737 . 0 0 "[ . 1 . 2]" 4
509 1 76 TRP H 1 77 GLU H 4.000 . 5.000 4.389 3.542 4.632 . 0 0 "[ . 1 . 2]" 4
510 1 76 TRP HE3 1 77 GLU H 4.000 . 5.000 3.464 2.986 4.004 . 0 0 "[ . 1 . 2]" 4
511 1 84 PRO HB3 1 85 ASP H 4.000 . 5.000 3.370 3.182 3.580 . 0 0 "[ . 1 . 2]" 4
512 1 84 PRO HG2 1 85 ASP H 4.000 . 5.000 5.094 5.038 5.144 0.144 4 0 "[ . 1 . 2]" 4
513 1 86 HIS H 1 87 LYS H 4.000 . 5.000 2.376 1.770 3.108 0.030 15 0 "[ . 1 . 2]" 4
514 1 86 HIS HA 1 87 LYS H 4.000 . 5.000 3.368 2.538 3.617 . 0 0 "[ . 1 . 2]" 4
515 1 86 HIS HB3 1 87 LYS H 4.000 . 5.000 3.427 1.775 4.619 0.025 16 0 "[ . 1 . 2]" 4
516 1 88 PRO HA 1 89 LYS H 4.000 . 5.000 2.187 2.100 2.436 . 0 0 "[ . 1 . 2]" 4
517 1 90 SER H 1 91 TRP HD1 4.000 . 5.000 4.604 4.052 5.083 0.083 17 0 "[ . 1 . 2]" 4
518 1 90 SER HA 1 91 TRP HE1 4.000 . 5.000 4.840 4.494 5.050 0.050 8 0 "[ . 1 . 2]" 4
519 1 91 TRP HE3 1 92 VAL H 4.000 . 5.000 3.987 3.761 4.253 . 0 0 "[ . 1 . 2]" 4
520 1 95 GLU HB3 1 96 LYS H 4.000 . 5.000 4.151 3.655 4.406 . 0 0 "[ . 1 . 2]" 4
521 1 96 LYS HB2 1 97 MET H 4.000 . 5.000 3.834 2.907 4.159 . 0 0 "[ . 1 . 2]" 4
522 1 98 TYR HB2 1 99 HIS H 4.000 . 5.000 3.653 3.093 4.458 . 0 0 "[ . 1 . 2]" 4
523 1 99 HIS HA 1 100 THR H 3.500 . 4.000 2.195 1.956 2.641 . 0 0 "[ . 1 . 2]" 4
524 1 99 HIS HB2 1 100 THR H 4.000 . 5.000 4.122 2.887 4.557 . 0 0 "[ . 1 . 2]" 4
525 1 102 ARG HB2 1 103 ARG H 4.000 . 5.000 3.435 2.734 4.224 . 0 0 "[ . 1 . 2]" 4
526 1 102 ARG HB3 1 103 ARG H 4.000 . 5.000 3.957 3.099 4.113 . 0 0 "[ . 1 . 2]" 4
527 1 102 ARG HD2 1 103 ARG H 4.000 . 5.000 4.768 3.758 5.050 0.050 19 0 "[ . 1 . 2]" 4
528 1 103 ARG HB2 1 104 ARG H 4.000 . 5.000 2.693 2.216 3.971 . 0 0 "[ . 1 . 2]" 4
529 1 103 ARG HB3 1 104 ARG H 4.000 . 5.000 3.498 2.251 3.934 . 0 0 "[ . 1 . 2]" 4
530 1 105 ARG HB2 1 106 LEU H 4.000 . 5.000 4.248 4.148 4.413 . 0 0 "[ . 1 . 2]" 4
531 1 105 ARG HG3 1 106 LEU H 4.000 . 5.000 3.416 3.239 3.792 . 0 0 "[ . 1 . 2]" 4
532 1 105 ARG HG2 1 106 LEU H 4.000 . 5.000 3.320 3.065 3.624 . 0 0 "[ . 1 . 2]" 4
533 1 106 LEU HA 1 107 VAL H 2.500 . 3.000 2.125 2.060 2.173 . 0 0 "[ . 1 . 2]" 4
534 1 108 ARG HB3 1 109 LYS H 4.000 . 5.000 4.230 4.016 4.335 . 0 0 "[ . 1 . 2]" 4
535 1 109 LYS HG2 1 110 ARG H 4.000 . 5.000 3.014 2.157 3.763 . 0 0 "[ . 1 . 2]" 4
536 1 109 LYS HD3 1 110 ARG H 4.000 . 5.000 2.919 1.840 3.524 . 0 0 "[ . 1 . 2]" 4
537 1 112 LYS HB2 1 113 ASP H 4.000 . 5.000 3.811 2.903 3.959 . 0 0 "[ . 1 . 2]" 4
538 1 113 ASP HA 1 114 LEU H 2.500 . 3.000 3.060 2.856 3.309 0.309 7 0 "[ . 1 . 2]" 4
539 1 115 THR HA 1 116 GLN H 4.000 . 5.000 3.276 3.035 3.491 . 0 0 "[ . 1 . 2]" 4
540 1 116 GLN HB3 1 117 THR H 4.000 . 5.000 3.464 1.957 4.303 . 0 0 "[ . 1 . 2]" 4
541 1 122 ALA HA 1 123 ARG H 4.000 . 5.000 2.769 2.098 3.591 . 0 0 "[ . 1 . 2]" 4
542 1 103 ARG HA 1 104 ARG HE 4.000 . 5.000 5.239 5.139 5.333 0.333 11 0 "[ . 1 . 2]" 4
543 1 11 THR HA 1 12 GLU H 3.000 . 3.500 2.203 2.122 2.285 . 0 0 "[ . 1 . 2]" 4
544 1 43 LYS HG3 1 44 ALA H 4.000 . 5.000 4.053 2.762 4.766 . 0 0 "[ . 1 . 2]" 4
545 1 43 LYS HG2 1 44 ALA H 4.000 . 5.000 3.516 2.643 4.973 . 0 0 "[ . 1 . 2]" 4
546 1 55 GLY H 1 56 TRP HD1 4.000 . 5.000 4.644 3.460 5.078 0.078 12 0 "[ . 1 . 2]" 4
547 1 55 GLY H 1 56 TRP HB2 4.000 . 5.000 4.593 4.159 4.878 . 0 0 "[ . 1 . 2]" 4
548 1 117 THR HB 1 118 ALA H 4.000 . 5.000 3.755 2.014 4.525 . 0 0 "[ . 1 . 2]" 4
549 1 58 TRP H 1 59 GLU H 4.000 . 5.000 4.443 4.149 4.638 . 0 0 "[ . 1 . 2]" 4
550 1 1 ILE HA 1 2 ASP H 4.000 . 5.000 2.601 2.045 3.571 . 0 0 "[ . 1 . 2]" 4
551 1 57 GLU HB2 1 58 TRP H 4.000 . 5.000 4.217 3.315 4.431 . 0 0 "[ . 1 . 2]" 4
552 1 28 ASP HB3 1 29 TRP H 4.000 . 5.000 3.798 3.051 4.299 . 0 0 "[ . 1 . 2]" 4
553 1 62 ALA HA 1 63 TRP HE1 4.000 . 5.000 4.881 4.554 5.051 0.051 12 0 "[ . 1 . 2]" 4
554 1 57 GLU HB3 1 58 TRP H 4.000 . 5.000 4.306 4.121 4.477 . 0 0 "[ . 1 . 2]" 4
555 1 87 LYS H 1 88 PRO HD2 4.000 . 5.000 5.007 4.774 5.103 0.103 2 0 "[ . 1 . 2]" 4
556 1 67 ILE HB 1 68 ASN H 4.000 . 5.000 4.232 1.788 4.445 0.012 17 0 "[ . 1 . 2]" 4
557 1 77 GLU HB2 1 78 TYR H 4.000 . 5.000 2.904 2.343 3.609 . 0 0 "[ . 1 . 2]" 4
558 1 77 GLU HB3 1 78 TYR H 3.000 . 3.500 3.053 2.368 3.601 0.101 18 0 "[ . 1 . 2]" 4
559 1 81 THR HA 1 82 ILE H 3.000 . 3.500 2.246 2.092 2.430 . 0 0 "[ . 1 . 2]" 4
stop_
save_
save_distance_constraint_statistics_5
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 5
_Distance_constraint_stats_list.Constraint_count 48
_Distance_constraint_stats_list.Viol_count 549
_Distance_constraint_stats_list.Viol_total 812.855
_Distance_constraint_stats_list.Viol_max 0.247
_Distance_constraint_stats_list.Viol_rms 0.0528
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0423
_Distance_constraint_stats_list.Viol_average_violations_only 0.0740
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 13 PHE 3.472 0.174 12 0 "[ . 1 . 2]"
1 15 ASP 2.653 0.122 13 0 "[ . 1 . 2]"
1 17 VAL 2.585 0.121 14 0 "[ . 1 . 2]"
1 18 TYR 1.217 0.108 17 0 "[ . 1 . 2]"
1 19 GLN 1.207 0.132 6 0 "[ . 1 . 2]"
1 20 ASN 1.527 0.167 5 0 "[ . 1 . 2]"
1 21 GLU 0.364 0.060 6 0 "[ . 1 . 2]"
1 22 SER 3.555 0.129 17 0 "[ . 1 . 2]"
1 23 ARG 1.460 0.100 7 0 "[ . 1 . 2]"
1 30 LYS 3.555 0.129 17 0 "[ . 1 . 2]"
1 35 THR 1.527 0.167 5 0 "[ . 1 . 2]"
1 37 THR 1.217 0.108 17 0 "[ . 1 . 2]"
1 57 GLU 7.350 0.230 2 0 "[ . 1 . 2]"
1 64 SER 4.741 0.184 8 0 "[ . 1 . 2]"
1 77 GLU 7.672 0.247 13 0 "[ . 1 . 2]"
1 78 TYR 2.160 0.136 5 0 "[ . 1 . 2]"
1 79 GLY 0.679 0.103 8 0 "[ . 1 . 2]"
1 92 VAL 2.160 0.136 5 0 "[ . 1 . 2]"
1 100 THR 1.460 0.100 7 0 "[ . 1 . 2]"
1 101 HIS 0.679 0.103 8 0 "[ . 1 . 2]"
1 102 ARG 0.364 0.060 6 0 "[ . 1 . 2]"
1 103 ARG 7.672 0.247 13 0 "[ . 1 . 2]"
1 104 ARG 1.207 0.132 6 0 "[ . 1 . 2]"
1 106 LEU 2.585 0.121 14 0 "[ . 1 . 2]"
1 107 VAL 4.741 0.184 8 0 "[ . 1 . 2]"
1 108 ARG 2.653 0.122 13 0 "[ . 1 . 2]"
1 110 ARG 3.472 0.174 12 0 "[ . 1 . 2]"
1 111 LYS 7.350 0.230 2 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 13 PHE N 1 110 ARG O 3.300 3.000 3.600 2.883 2.826 2.931 0.174 12 0 "[ . 1 . 2]" 5
2 1 13 PHE H 1 110 ARG O 2.300 . 2.600 2.062 1.918 2.437 0.082 12 0 "[ . 1 . 2]" 5
3 1 13 PHE O 1 110 ARG N 3.300 3.000 3.600 2.960 2.886 3.095 0.114 15 0 "[ . 1 . 2]" 5
4 1 13 PHE O 1 110 ARG H 2.300 . 2.600 2.140 2.036 2.325 . 0 0 "[ . 1 . 2]" 5
5 1 15 ASP N 1 108 ARG O 3.300 3.000 3.600 2.932 2.878 3.009 0.122 13 0 "[ . 1 . 2]" 5
6 1 15 ASP H 1 108 ARG O 2.300 . 2.600 2.074 1.980 2.216 0.020 11 0 "[ . 1 . 2]" 5
7 1 15 ASP O 1 108 ARG N 3.300 3.000 3.600 2.968 2.930 3.126 0.070 14 0 "[ . 1 . 2]" 5
8 1 15 ASP O 1 108 ARG H 2.300 . 2.600 1.986 1.947 2.137 0.053 14 0 "[ . 1 . 2]" 5
9 1 17 VAL N 1 106 LEU O 3.300 3.000 3.600 3.016 2.928 3.174 0.072 15 0 "[ . 1 . 2]" 5
10 1 17 VAL H 1 106 LEU O 2.300 . 2.600 2.113 2.001 2.277 . 0 0 "[ . 1 . 2]" 5
11 1 17 VAL O 1 106 LEU N 3.300 3.000 3.600 2.912 2.879 2.979 0.121 14 0 "[ . 1 . 2]" 5
12 1 17 VAL O 1 106 LEU H 2.300 . 2.600 2.007 1.929 2.116 0.071 9 0 "[ . 1 . 2]" 5
13 1 18 TYR N 1 37 THR O 3.300 3.000 3.600 3.022 2.892 3.363 0.108 17 0 "[ . 1 . 2]" 5
14 1 18 TYR H 1 37 THR O 2.300 . 2.600 2.310 1.980 2.670 0.070 12 0 "[ . 1 . 2]" 5
15 1 18 TYR O 1 37 THR N 3.300 3.000 3.600 3.056 2.895 3.275 0.105 1 0 "[ . 1 . 2]" 5
16 1 18 TYR O 1 37 THR H 2.300 . 2.600 2.205 1.994 2.468 0.006 1 0 "[ . 1 . 2]" 5
17 1 19 GLN N 1 104 ARG O 3.300 3.000 3.600 2.944 2.868 3.002 0.132 6 0 "[ . 1 . 2]" 5
18 1 19 GLN H 1 104 ARG O 2.300 . 2.600 2.122 2.004 2.271 . 0 0 "[ . 1 . 2]" 5
19 1 19 GLN O 1 104 ARG N 3.300 3.000 3.600 3.092 2.945 3.241 0.055 14 0 "[ . 1 . 2]" 5
20 1 19 GLN O 1 104 ARG H 2.300 . 2.600 2.287 2.037 2.515 . 0 0 "[ . 1 . 2]" 5
21 1 20 ASN N 1 35 THR O 3.300 3.000 3.600 2.932 2.833 3.008 0.167 5 0 "[ . 1 . 2]" 5
22 1 20 ASN H 1 35 THR O 2.300 . 2.600 2.058 1.948 2.320 0.052 18 0 "[ . 1 . 2]" 5
23 1 21 GLU N 1 102 ARG O 3.300 3.000 3.600 3.116 2.940 3.511 0.060 6 0 "[ . 1 . 2]" 5
24 1 21 GLU H 1 102 ARG O 2.300 . 2.600 2.174 1.974 2.584 0.026 18 0 "[ . 1 . 2]" 5
25 1 21 GLU O 1 102 ARG N 3.300 3.000 3.600 3.182 2.958 3.522 0.042 15 0 "[ . 1 . 2]" 5
26 1 21 GLU O 1 102 ARG H 2.300 . 2.600 2.282 2.001 2.616 0.016 1 0 "[ . 1 . 2]" 5
27 1 22 SER N 1 30 LYS O 3.300 3.000 3.600 2.907 2.871 2.943 0.129 17 0 "[ . 1 . 2]" 5
28 1 22 SER H 1 30 LYS O 2.300 . 2.600 1.970 1.926 2.039 0.074 17 0 "[ . 1 . 2]" 5
29 1 22 SER O 1 30 LYS N 3.300 3.000 3.600 2.955 2.894 3.044 0.106 7 0 "[ . 1 . 2]" 5
30 1 22 SER O 1 30 LYS H 2.300 . 2.600 2.072 1.969 2.248 0.031 14 0 "[ . 1 . 2]" 5
31 1 23 ARG N 1 100 THR O 3.300 3.000 3.600 2.950 2.900 3.166 0.100 7 0 "[ . 1 . 2]" 5
32 1 23 ARG H 1 100 THR O 2.300 . 2.600 2.010 1.943 2.206 0.057 19 0 "[ . 1 . 2]" 5
33 1 57 GLU N 1 111 LYS O 3.300 3.000 3.600 2.855 2.770 2.939 0.230 2 0 "[ . 1 . 2]" 5
34 1 57 GLU H 1 111 LYS O 2.300 . 2.600 1.993 1.811 2.252 0.189 2 0 "[ . 1 . 2]" 5
35 1 57 GLU O 1 111 LYS N 3.300 3.000 3.600 2.877 2.801 2.975 0.199 15 0 "[ . 1 . 2]" 5
36 1 57 GLU O 1 111 LYS H 2.300 . 2.600 1.947 1.895 2.092 0.105 5 0 "[ . 1 . 2]" 5
37 1 64 SER N 1 107 VAL O 3.300 3.000 3.600 3.211 2.964 3.492 0.036 17 0 "[ . 1 . 2]" 5
38 1 64 SER H 1 107 VAL O 2.300 . 2.600 2.321 2.059 2.597 . 0 0 "[ . 1 . 2]" 5
39 1 64 SER O 1 107 VAL N 3.300 3.000 3.600 2.852 2.816 2.900 0.184 8 0 "[ . 1 . 2]" 5
40 1 64 SER O 1 107 VAL H 2.300 . 2.600 1.914 1.848 2.020 0.152 8 0 "[ . 1 . 2]" 5
41 1 77 GLU N 1 103 ARG O 3.300 3.000 3.600 2.837 2.753 2.924 0.247 13 0 "[ . 1 . 2]" 5
42 1 77 GLU H 1 103 ARG O 2.300 . 2.600 1.945 1.860 2.083 0.140 16 0 "[ . 1 . 2]" 5
43 1 77 GLU O 1 103 ARG N 3.300 3.000 3.600 3.611 3.412 3.702 0.102 10 0 "[ . 1 . 2]" 5
44 1 77 GLU O 1 103 ARG H 2.300 . 2.600 2.715 2.513 2.800 0.200 10 0 "[ . 1 . 2]" 5
45 1 78 TYR N 1 92 VAL O 3.300 3.000 3.600 2.952 2.864 3.593 0.136 5 0 "[ . 1 . 2]" 5
46 1 78 TYR H 1 92 VAL O 2.300 . 2.600 2.044 1.937 2.631 0.063 5 0 "[ . 1 . 2]" 5
47 1 79 GLY N 1 101 HIS O 3.300 3.000 3.600 3.272 2.897 3.488 0.103 8 0 "[ . 1 . 2]" 5
48 1 79 GLY H 1 101 HIS O 2.300 . 2.600 2.530 1.973 2.695 0.095 18 0 "[ . 1 . 2]" 5
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