NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
381302 |
1isk   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1isk
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 146
_Distance_constraint_stats_list.Viol_count 109
_Distance_constraint_stats_list.Viol_total 16.905
_Distance_constraint_stats_list.Viol_max 0.028
_Distance_constraint_stats_list.Viol_rms 0.0020
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0003
_Distance_constraint_stats_list.Viol_average_violations_only 0.0078
_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 14 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 21 GLY 0.008 0.005 13 0 "[ . 1 . 2]"
1 22 ASP 0.008 0.005 13 0 "[ . 1 . 2]"
1 23 LEU 0.031 0.011 14 0 "[ . 1 . 2]"
1 24 ASP 0.051 0.011 9 0 "[ . 1 . 2]"
1 25 GLY 0.139 0.015 8 0 "[ . 1 . 2]"
1 26 ILE 0.128 0.015 8 0 "[ . 1 . 2]"
1 27 VAL 0.022 0.014 9 0 "[ . 1 . 2]"
1 28 ALA 0.024 0.012 13 0 "[ . 1 . 2]"
1 29 LEU 0.031 0.011 7 0 "[ . 1 . 2]"
1 30 PHE 0.177 0.023 17 0 "[ . 1 . 2]"
1 31 ALA 0.110 0.023 17 0 "[ . 1 . 2]"
1 34 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 48 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 51 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 52 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 55 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 56 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 59 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 109 VAL 0.010 0.008 7 0 "[ . 1 . 2]"
2 14 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
2 20 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
2 21 GLY 0.024 0.024 18 0 "[ . 1 . 2]"
2 22 ASP 0.024 0.024 18 0 "[ . 1 . 2]"
2 23 LEU 0.025 0.009 18 0 "[ . 1 . 2]"
2 24 ASP 0.060 0.018 14 0 "[ . 1 . 2]"
2 25 GLY 0.136 0.026 16 0 "[ . 1 . 2]"
2 26 ILE 0.140 0.026 16 0 "[ . 1 . 2]"
2 27 VAL 0.039 0.019 7 0 "[ . 1 . 2]"
2 28 ALA 0.010 0.005 1 0 "[ . 1 . 2]"
2 29 LEU 0.019 0.006 20 0 "[ . 1 . 2]"
2 30 PHE 0.251 0.028 20 0 "[ . 1 . 2]"
2 31 ALA 0.121 0.028 20 0 "[ . 1 . 2]"
2 34 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
2 36 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
2 48 THR 0.000 0.000 . 0 "[ . 1 . 2]"
2 51 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
2 52 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
2 55 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
2 56 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
2 59 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
2 109 VAL 0.033 0.010 6 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 23 LEU H 1 24 ASP H . . 2.900 2.747 2.544 2.911 0.011 14 0 "[ . 1 . 2]" 1
2 2 23 LEU H 2 24 ASP H . . 2.900 2.783 2.602 2.909 0.009 18 0 "[ . 1 . 2]" 1
3 1 24 ASP H 1 25 GLY H . . 2.900 2.783 2.610 2.911 0.011 9 0 "[ . 1 . 2]" 1
4 2 24 ASP H 2 25 GLY H . . 2.900 2.808 2.626 2.918 0.018 14 0 "[ . 1 . 2]" 1
5 1 25 GLY H 1 26 ILE H . . 2.900 2.895 2.782 2.915 0.015 8 0 "[ . 1 . 2]" 1
6 2 25 GLY H 2 26 ILE H . . 2.900 2.900 2.869 2.926 0.026 16 0 "[ . 1 . 2]" 1
7 1 26 ILE H 1 27 VAL H . . 2.900 2.752 2.479 2.914 0.014 9 0 "[ . 1 . 2]" 1
8 2 26 ILE H 2 27 VAL H . . 2.900 2.783 2.519 2.919 0.019 7 0 "[ . 1 . 2]" 1
9 1 27 VAL H 1 28 ALA H . . 2.900 2.545 2.254 2.659 . 0 0 "[ . 1 . 2]" 1
10 2 27 VAL H 2 28 ALA H . . 2.900 2.567 2.388 2.657 . 0 0 "[ . 1 . 2]" 1
11 1 28 ALA H 1 29 LEU H . . 2.900 2.358 1.971 2.630 . 0 0 "[ . 1 . 2]" 1
12 2 28 ALA H 2 29 LEU H . . 2.900 2.404 2.044 2.635 . 0 0 "[ . 1 . 2]" 1
13 1 29 LEU H 1 30 PHE H . . 2.900 2.802 2.625 2.911 0.011 7 0 "[ . 1 . 2]" 1
14 2 29 LEU H 2 30 PHE H . . 2.900 2.766 2.645 2.906 0.006 20 0 "[ . 1 . 2]" 1
15 1 23 LEU H 1 25 GLY H . . 5.000 4.086 3.536 5.007 0.007 12 0 "[ . 1 . 2]" 1
16 2 23 LEU H 2 25 GLY H . . 5.000 4.062 3.397 4.912 . 0 0 "[ . 1 . 2]" 1
17 1 24 ASP H 1 26 ILE H . . 5.000 4.425 3.587 4.916 . 0 0 "[ . 1 . 2]" 1
18 2 24 ASP H 2 26 ILE H . . 5.000 4.506 3.592 4.977 . 0 0 "[ . 1 . 2]" 1
19 1 25 GLY H 1 27 VAL H . . 5.000 4.022 3.672 4.515 . 0 0 "[ . 1 . 2]" 1
20 2 25 GLY H 2 27 VAL H . . 5.000 4.011 3.638 4.599 . 0 0 "[ . 1 . 2]" 1
21 1 26 ILE H 1 28 ALA H . . 5.000 4.029 3.490 4.432 . 0 0 "[ . 1 . 2]" 1
22 2 26 ILE H 2 28 ALA H . . 5.000 4.084 3.497 4.441 . 0 0 "[ . 1 . 2]" 1
23 1 27 VAL H 1 29 LEU H . . 5.000 3.751 3.537 3.981 . 0 0 "[ . 1 . 2]" 1
24 2 27 VAL H 2 29 LEU H . . 5.000 3.737 3.581 4.019 . 0 0 "[ . 1 . 2]" 1
25 1 28 ALA H 1 30 PHE H . . 5.000 4.558 3.939 5.005 0.005 3 0 "[ . 1 . 2]" 1
26 2 28 ALA H 2 30 PHE H . . 5.000 4.554 3.991 5.004 0.004 7 0 "[ . 1 . 2]" 1
27 1 23 LEU HA 1 26 ILE H . . 5.000 3.738 3.455 3.997 . 0 0 "[ . 1 . 2]" 1
28 2 23 LEU HA 2 26 ILE H . . 5.000 3.754 3.582 3.926 . 0 0 "[ . 1 . 2]" 1
29 1 24 ASP HA 1 27 VAL H . . 5.000 3.577 3.192 3.878 . 0 0 "[ . 1 . 2]" 1
30 2 24 ASP HA 2 27 VAL H . . 5.000 3.616 3.189 3.941 . 0 0 "[ . 1 . 2]" 1
31 1 25 GLY HA2 1 28 ALA H . . 5.000 3.235 2.989 3.530 . 0 0 "[ . 1 . 2]" 1
32 2 25 GLY HA2 2 28 ALA H . . 5.000 3.222 3.035 3.544 . 0 0 "[ . 1 . 2]" 1
33 1 26 ILE HA 1 29 LEU H . . 5.000 3.159 2.869 3.422 . 0 0 "[ . 1 . 2]" 1
34 2 26 ILE HA 2 29 LEU H . . 5.000 3.193 2.903 3.436 . 0 0 "[ . 1 . 2]" 1
35 1 27 VAL HA 1 30 PHE H . . 5.000 3.897 3.588 4.170 . 0 0 "[ . 1 . 2]" 1
36 2 27 VAL HA 2 30 PHE H . . 5.000 3.849 3.580 4.131 . 0 0 "[ . 1 . 2]" 1
37 1 23 LEU HA 1 27 VAL H . . 5.000 3.995 3.566 4.339 . 0 0 "[ . 1 . 2]" 1
38 2 23 LEU HA 2 27 VAL H . . 5.000 3.998 3.601 4.329 . 0 0 "[ . 1 . 2]" 1
39 1 24 ASP HA 1 28 ALA H . . 5.000 4.345 4.106 4.445 . 0 0 "[ . 1 . 2]" 1
40 2 24 ASP HA 2 28 ALA H . . 5.000 4.326 4.051 4.447 . 0 0 "[ . 1 . 2]" 1
41 1 25 GLY HA2 1 29 LEU H . . 5.000 4.356 4.023 4.450 . 0 0 "[ . 1 . 2]" 1
42 2 25 GLY HA2 2 29 LEU H . . 5.000 4.367 4.057 4.438 . 0 0 "[ . 1 . 2]" 1
43 1 23 LEU HA 1 26 ILE HB . . 5.000 2.821 2.271 3.428 . 0 0 "[ . 1 . 2]" 1
44 2 23 LEU HA 2 26 ILE HB . . 5.000 2.832 2.420 3.466 . 0 0 "[ . 1 . 2]" 1
45 1 24 ASP HA 1 27 VAL HB . . 3.300 2.567 2.375 2.927 . 0 0 "[ . 1 . 2]" 1
46 2 24 ASP HA 2 27 VAL HB . . 3.300 2.625 2.342 2.924 . 0 0 "[ . 1 . 2]" 1
47 1 25 GLY HA2 1 28 ALA MB . . 3.300 2.451 2.302 2.588 . 0 0 "[ . 1 . 2]" 1
48 2 25 GLY HA2 2 28 ALA MB . . 3.300 2.434 2.305 2.573 . 0 0 "[ . 1 . 2]" 1
49 1 20 ALA MB 1 22 ASP H . . 5.000 3.088 2.605 3.492 . 0 0 "[ . 1 . 2]" 1
50 2 20 ALA MB 2 22 ASP H . . 5.000 2.902 2.500 3.534 . 0 0 "[ . 1 . 2]" 1
51 1 21 GLY HA2 1 59 LEU MD2 . . 5.500 1.879 1.766 2.076 . 0 0 "[ . 1 . 2]" 1
52 2 21 GLY HA2 2 59 LEU MD2 . . 5.500 1.832 1.771 1.991 . 0 0 "[ . 1 . 2]" 1
53 1 21 GLY H 1 22 ASP H . . 2.700 2.482 2.226 2.705 0.005 13 0 "[ . 1 . 2]" 1
54 2 21 GLY H 2 22 ASP H . . 2.700 2.535 2.265 2.724 0.024 18 0 "[ . 1 . 2]" 1
55 1 21 GLY H 1 59 LEU MD2 . . 3.800 3.016 2.769 3.224 . 0 0 "[ . 1 . 2]" 1
56 2 21 GLY H 2 59 LEU MD2 . . 3.800 3.036 2.836 3.224 . 0 0 "[ . 1 . 2]" 1
57 1 22 ASP H 1 59 LEU MD2 . . 5.500 4.059 3.232 4.397 . 0 0 "[ . 1 . 2]" 1
58 2 22 ASP H 2 59 LEU MD2 . . 5.500 4.099 3.724 4.380 . 0 0 "[ . 1 . 2]" 1
59 1 22 ASP HA 1 23 LEU H . . 2.700 2.373 2.268 2.638 . 0 0 "[ . 1 . 2]" 1
60 2 22 ASP HA 2 23 LEU H . . 2.700 2.372 2.254 2.557 . 0 0 "[ . 1 . 2]" 1
61 1 23 LEU H 1 59 LEU MD1 . . 5.500 4.081 2.532 4.536 . 0 0 "[ . 1 . 2]" 1
62 2 23 LEU H 2 59 LEU MD1 . . 5.500 4.040 3.427 4.502 . 0 0 "[ . 1 . 2]" 1
63 1 23 LEU HA 1 23 LEU MD2 . . 3.200 2.191 1.859 2.475 . 0 0 "[ . 1 . 2]" 1
64 2 23 LEU HA 2 23 LEU MD2 . . 3.200 2.126 1.851 2.491 . 0 0 "[ . 1 . 2]" 1
65 1 23 LEU HA 1 59 LEU MD1 . . 5.500 3.553 2.603 4.244 . 0 0 "[ . 1 . 2]" 1
66 2 23 LEU HA 2 59 LEU MD1 . . 5.500 3.381 2.266 3.933 . 0 0 "[ . 1 . 2]" 1
67 1 23 LEU HA 1 26 ILE MD . . 5.500 2.703 1.974 3.228 . 0 0 "[ . 1 . 2]" 1
68 2 23 LEU HA 2 26 ILE MD . . 5.500 2.756 1.980 3.429 . 0 0 "[ . 1 . 2]" 1
69 1 23 LEU MD1 1 56 ALA HA . . 3.800 2.534 1.791 3.146 . 0 0 "[ . 1 . 2]" 1
70 2 23 LEU MD1 2 56 ALA HA . . 3.800 2.604 1.831 3.145 . 0 0 "[ . 1 . 2]" 1
71 1 23 LEU MD2 1 56 ALA H . . 3.800 2.727 2.487 2.977 . 0 0 "[ . 1 . 2]" 1
72 2 23 LEU MD2 2 56 ALA H . . 3.800 2.725 2.146 3.031 . 0 0 "[ . 1 . 2]" 1
73 1 23 LEU MD2 1 52 ARG HA . . 5.500 2.986 1.943 4.311 . 0 0 "[ . 1 . 2]" 1
74 2 23 LEU MD2 2 52 ARG HA . . 5.500 2.965 1.958 4.491 . 0 0 "[ . 1 . 2]" 1
75 1 23 LEU MD1 1 56 ALA MB . . 3.700 1.994 1.756 2.210 . 0 0 "[ . 1 . 2]" 1
76 2 23 LEU MD1 2 56 ALA MB . . 3.700 1.956 1.778 2.212 . 0 0 "[ . 1 . 2]" 1
77 1 23 LEU MD2 1 56 ALA MB . . 4.300 2.567 2.308 2.895 . 0 0 "[ . 1 . 2]" 1
78 2 23 LEU MD2 2 56 ALA MB . . 4.300 2.501 1.962 2.846 . 0 0 "[ . 1 . 2]" 1
79 1 23 LEU MD2 1 55 TYR QB . . 4.600 1.845 1.653 2.097 . 0 0 "[ . 1 . 2]" 1
80 2 23 LEU MD2 2 55 TYR QB . . 4.600 1.879 1.607 2.295 . 0 0 "[ . 1 . 2]" 1
81 1 23 LEU MD2 1 27 VAL MG2 . . 6.000 3.400 2.479 4.103 . 0 0 "[ . 1 . 2]" 1
82 2 23 LEU MD2 2 27 VAL MG2 . . 6.000 3.373 2.276 4.119 . 0 0 "[ . 1 . 2]" 1
83 1 24 ASP QB 1 25 GLY H . . 3.500 2.489 1.980 2.870 . 0 0 "[ . 1 . 2]" 1
84 2 24 ASP QB 2 25 GLY H . . 3.500 2.453 1.975 3.045 . 0 0 "[ . 1 . 2]" 1
85 1 26 ILE MD 1 59 LEU MD2 . . 6.000 3.599 2.617 4.105 . 0 0 "[ . 1 . 2]" 1
86 2 26 ILE MD 2 59 LEU MD2 . . 6.000 3.440 2.463 4.095 . 0 0 "[ . 1 . 2]" 1
87 1 26 ILE MD 1 59 LEU MD1 . . 4.300 2.788 2.203 2.977 . 0 0 "[ . 1 . 2]" 1
88 2 26 ILE MD 2 59 LEU MD1 . . 4.300 2.667 1.774 2.991 . 0 0 "[ . 1 . 2]" 1
89 1 26 ILE MG 1 55 TYR QR . . 7.800 2.443 1.682 3.487 . 0 0 "[ . 1 . 2]" 1
90 2 26 ILE MG 2 55 TYR QR . . 7.800 2.388 1.731 3.061 . 0 0 "[ . 1 . 2]" 1
91 1 14 TYR QD 1 26 ILE MG . . 3.800 2.810 2.298 3.041 . 0 0 "[ . 1 . 2]" 1
92 2 14 TYR QD 2 26 ILE MG . . 3.800 2.898 2.789 3.027 . 0 0 "[ . 1 . 2]" 1
93 1 14 TYR QE 1 26 ILE MG . . 3.800 2.562 1.927 3.173 . 0 0 "[ . 1 . 2]" 1
94 2 14 TYR QE 2 26 ILE MG . . 3.800 2.720 2.086 3.162 . 0 0 "[ . 1 . 2]" 1
95 1 26 ILE MG 1 30 PHE QE . . 3.800 2.001 1.770 3.030 . 0 0 "[ . 1 . 2]" 1
96 2 26 ILE MG 2 30 PHE QE . . 3.800 1.971 1.765 2.414 . 0 0 "[ . 1 . 2]" 1
97 1 26 ILE MG 1 27 VAL MG2 . . 6.000 3.282 2.808 3.691 . 0 0 "[ . 1 . 2]" 1
98 2 26 ILE MG 2 27 VAL MG2 . . 6.000 3.232 2.864 3.594 . 0 0 "[ . 1 . 2]" 1
99 1 26 ILE HA 1 29 LEU MD1 . . 3.800 2.582 1.986 2.887 . 0 0 "[ . 1 . 2]" 1
100 2 26 ILE HA 2 29 LEU MD1 . . 3.800 2.577 2.107 2.949 . 0 0 "[ . 1 . 2]" 1
101 1 27 VAL HA 1 30 PHE QR . . 5.000 2.512 2.006 2.776 . 0 0 "[ . 1 . 2]" 1
102 2 27 VAL HA 2 30 PHE QR . . 5.000 2.492 2.220 2.788 . 0 0 "[ . 1 . 2]" 1
103 1 27 VAL MG1 1 48 THR HB . . 5.500 2.479 1.798 3.988 . 0 0 "[ . 1 . 2]" 1
104 2 27 VAL MG1 2 48 THR HB . . 5.500 2.613 1.810 3.950 . 0 0 "[ . 1 . 2]" 1
105 1 27 VAL MG1 1 48 THR HA . . 5.500 2.893 1.942 3.848 . 0 0 "[ . 1 . 2]" 1
106 2 27 VAL MG1 2 48 THR HA . . 5.500 3.030 1.976 3.905 . 0 0 "[ . 1 . 2]" 1
107 1 27 VAL MG1 1 51 ILE MG . . 6.000 3.454 2.689 3.949 . 0 0 "[ . 1 . 2]" 1
108 2 27 VAL MG1 2 51 ILE MG . . 6.000 3.300 2.107 3.909 . 0 0 "[ . 1 . 2]" 1
109 1 27 VAL MG2 1 51 ILE MG . . 4.300 2.355 1.935 2.662 . 0 0 "[ . 1 . 2]" 1
110 2 27 VAL MG2 2 51 ILE MG . . 4.300 2.264 1.698 2.695 . 0 0 "[ . 1 . 2]" 1
111 1 27 VAL MG2 1 52 ARG HA . . 3.800 2.696 1.887 3.272 . 0 0 "[ . 1 . 2]" 1
112 2 27 VAL MG2 2 52 ARG HA . . 3.800 2.728 1.837 3.277 . 0 0 "[ . 1 . 2]" 1
113 1 27 VAL MG1 1 30 PHE QR . . 7.800 3.096 2.610 3.626 . 0 0 "[ . 1 . 2]" 1
114 2 27 VAL MG1 2 30 PHE QR . . 7.800 3.028 2.236 3.442 . 0 0 "[ . 1 . 2]" 1
115 1 27 VAL MG1 1 28 ALA HA . . 5.500 3.427 2.996 3.840 . 0 0 "[ . 1 . 2]" 1
116 2 27 VAL MG1 2 28 ALA HA . . 5.500 3.403 2.971 3.866 . 0 0 "[ . 1 . 2]" 1
117 1 27 VAL HA 1 51 ILE MG . . 5.500 3.243 2.626 3.770 . 0 0 "[ . 1 . 2]" 1
118 2 27 VAL HA 2 51 ILE MG . . 5.500 3.160 2.437 3.814 . 0 0 "[ . 1 . 2]" 1
119 1 27 VAL MG1 1 52 ARG QB . . 6.300 3.530 2.175 4.361 . 0 0 "[ . 1 . 2]" 1
120 2 27 VAL MG1 2 52 ARG QB . . 6.300 3.400 1.999 4.316 . 0 0 "[ . 1 . 2]" 1
121 1 28 ALA HA 1 30 PHE H . . 5.000 4.418 3.808 5.012 0.012 13 0 "[ . 1 . 2]" 1
122 2 28 ALA HA 2 30 PHE H . . 5.000 4.327 3.773 5.005 0.005 1 0 "[ . 1 . 2]" 1
123 1 30 PHE QD 1 109 VAL HB . . 5.000 4.113 3.871 4.385 . 0 0 "[ . 1 . 2]" 1
124 2 30 PHE QD 2 109 VAL HB . . 5.000 4.089 3.808 4.500 . 0 0 "[ . 1 . 2]" 1
125 1 30 PHE QB 1 109 VAL HB . . 5.800 2.031 1.781 2.267 . 0 0 "[ . 1 . 2]" 1
126 2 30 PHE QB 2 109 VAL HB . . 5.800 2.027 1.771 2.379 . 0 0 "[ . 1 . 2]" 1
127 1 30 PHE QB 1 109 VAL H . . 5.800 3.745 2.931 4.378 . 0 0 "[ . 1 . 2]" 1
128 2 30 PHE QB 2 109 VAL H . . 5.800 3.688 2.832 4.296 . 0 0 "[ . 1 . 2]" 1
129 1 30 PHE HA 1 30 PHE HB2 . . 2.700 2.631 2.492 2.703 0.003 14 0 "[ . 1 . 2]" 1
130 2 30 PHE HA 2 30 PHE HB2 . . 2.700 2.645 2.545 2.726 0.026 14 0 "[ . 1 . 2]" 1
131 1 30 PHE HA 1 30 PHE HB3 . . 2.700 2.420 2.370 2.539 . 0 0 "[ . 1 . 2]" 1
132 2 30 PHE HA 2 30 PHE HB3 . . 2.700 2.409 2.356 2.486 . 0 0 "[ . 1 . 2]" 1
133 1 30 PHE QD 1 51 ILE MG . . 5.500 3.831 3.406 4.180 . 0 0 "[ . 1 . 2]" 1
134 2 30 PHE QD 2 51 ILE MG . . 5.500 3.839 3.426 4.130 . 0 0 "[ . 1 . 2]" 1
135 1 30 PHE QE 1 51 ILE MG . . 5.500 2.070 1.795 2.567 . 0 0 "[ . 1 . 2]" 1
136 2 30 PHE QE 2 51 ILE MG . . 5.500 2.034 1.797 2.421 . 0 0 "[ . 1 . 2]" 1
137 1 30 PHE QR 1 36 VAL MG2 . . 6.100 3.504 3.131 3.904 . 0 0 "[ . 1 . 2]" 1
138 2 30 PHE QR 2 36 VAL MG2 . . 6.100 3.519 3.184 3.764 . 0 0 "[ . 1 . 2]" 1
139 1 30 PHE QD 1 34 ALA MB . . 3.300 2.372 2.044 2.659 . 0 0 "[ . 1 . 2]" 1
140 2 30 PHE QD 2 34 ALA MB . . 3.300 2.359 1.964 2.672 . 0 0 "[ . 1 . 2]" 1
141 1 30 PHE HA 1 109 VAL MG2 . . 5.500 3.376 2.333 3.775 . 0 0 "[ . 1 . 2]" 1
142 2 30 PHE HA 2 109 VAL MG2 . . 5.500 3.321 2.565 3.860 . 0 0 "[ . 1 . 2]" 1
143 1 30 PHE HA 1 109 VAL HB . . 3.300 2.921 2.248 3.308 0.008 7 0 "[ . 1 . 2]" 1
144 2 30 PHE HA 2 109 VAL HB . . 3.300 2.972 2.078 3.310 0.010 6 0 "[ . 1 . 2]" 1
145 1 30 PHE HA 1 31 ALA H . . 2.700 2.690 2.623 2.723 0.023 17 0 "[ . 1 . 2]" 1
146 2 30 PHE HA 2 31 ALA H . . 2.700 2.690 2.588 2.728 0.028 20 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 136
_Distance_constraint_stats_list.Viol_count 147
_Distance_constraint_stats_list.Viol_total 28.130
_Distance_constraint_stats_list.Viol_max 0.039
_Distance_constraint_stats_list.Viol_rms 0.0028
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0005
_Distance_constraint_stats_list.Viol_average_violations_only 0.0096
_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 48 THR 0.173 0.029 1 0 "[ . 1 . 2]"
1 49 ALA 0.086 0.029 1 0 "[ . 1 . 2]"
1 50 ALA 0.092 0.022 7 0 "[ . 1 . 2]"
1 51 ILE 0.053 0.022 1 0 "[ . 1 . 2]"
1 52 ARG 0.055 0.022 1 0 "[ . 1 . 2]"
1 53 GLU 0.100 0.026 4 0 "[ . 1 . 2]"
1 54 PHE 0.121 0.026 4 0 "[ . 1 . 2]"
1 55 TYR 0.147 0.020 13 0 "[ . 1 . 2]"
1 56 ALA 0.101 0.020 13 0 "[ . 1 . 2]"
1 57 ASN 0.042 0.011 2 0 "[ . 1 . 2]"
1 58 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 59 LEU 0.268 0.030 2 0 "[ . 1 . 2]"
1 60 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 61 LEU 0.268 0.030 2 0 "[ . 1 . 2]"
1 62 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 63 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 86 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 88 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
2 48 THR 0.064 0.017 12 0 "[ . 1 . 2]"
2 49 ALA 0.027 0.016 4 0 "[ . 1 . 2]"
2 50 ALA 0.068 0.017 12 0 "[ . 1 . 2]"
2 51 ILE 0.061 0.013 6 0 "[ . 1 . 2]"
2 52 ARG 0.063 0.013 6 0 "[ . 1 . 2]"
2 53 GLU 0.047 0.010 11 0 "[ . 1 . 2]"
2 54 PHE 0.052 0.011 18 0 "[ . 1 . 2]"
2 55 TYR 0.125 0.039 20 0 "[ . 1 . 2]"
2 56 ALA 0.090 0.039 20 0 "[ . 1 . 2]"
2 57 ASN 0.028 0.006 5 0 "[ . 1 . 2]"
2 58 SER 0.026 0.025 18 0 "[ . 1 . 2]"
2 59 LEU 0.337 0.034 2 0 "[ . 1 . 2]"
2 60 LYS 0.003 0.003 18 0 "[ . 1 . 2]"
2 61 LEU 0.315 0.034 2 0 "[ . 1 . 2]"
2 62 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
2 63 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
2 86 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
2 88 TYR 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 48 THR H 1 49 ALA H . . 2.900 2.781 2.513 2.929 0.029 1 0 "[ . 1 . 2]" 2
2 2 48 THR H 2 49 ALA H . . 2.900 2.707 2.531 2.911 0.011 3 0 "[ . 1 . 2]" 2
3 1 49 ALA H 1 50 ALA H . . 2.900 2.771 2.548 2.903 0.003 20 0 "[ . 1 . 2]" 2
4 2 49 ALA H 2 50 ALA H . . 2.900 2.714 2.499 2.916 0.016 4 0 "[ . 1 . 2]" 2
5 1 50 ALA H 1 51 ILE H . . 2.900 2.645 2.486 2.836 . 0 0 "[ . 1 . 2]" 2
6 2 50 ALA H 2 51 ILE H . . 2.900 2.598 2.415 2.829 . 0 0 "[ . 1 . 2]" 2
7 1 51 ILE H 1 52 ARG H . . 2.900 2.817 2.633 2.922 0.022 1 0 "[ . 1 . 2]" 2
8 2 51 ILE H 2 52 ARG H . . 2.900 2.830 2.517 2.913 0.013 6 0 "[ . 1 . 2]" 2
9 1 52 ARG H 1 53 GLU H . . 2.900 2.784 2.590 2.904 0.004 8 0 "[ . 1 . 2]" 2
10 2 52 ARG H 2 53 GLU H . . 2.900 2.724 2.438 2.902 0.002 16 0 "[ . 1 . 2]" 2
11 1 53 GLU H 1 54 PHE H . . 2.900 2.843 2.600 2.926 0.026 4 0 "[ . 1 . 2]" 2
12 2 53 GLU H 2 54 PHE H . . 2.900 2.783 2.605 2.910 0.010 11 0 "[ . 1 . 2]" 2
13 1 54 PHE H 1 55 TYR H . . 2.900 2.857 2.731 2.915 0.015 17 0 "[ . 1 . 2]" 2
14 2 54 PHE H 2 55 TYR H . . 2.900 2.805 2.602 2.911 0.011 18 0 "[ . 1 . 2]" 2
15 1 55 TYR H 1 56 ALA H . . 2.900 2.822 2.683 2.920 0.020 13 0 "[ . 1 . 2]" 2
16 2 55 TYR H 2 56 ALA H . . 2.900 2.812 2.665 2.939 0.039 20 0 "[ . 1 . 2]" 2
17 1 56 ALA H 1 57 ASN H . . 2.900 2.713 2.428 2.911 0.011 2 0 "[ . 1 . 2]" 2
18 2 56 ALA H 2 57 ASN H . . 2.900 2.730 2.481 2.904 0.004 16 0 "[ . 1 . 2]" 2
19 1 57 ASN H 1 58 SER H . . 2.900 2.753 2.635 2.896 . 0 0 "[ . 1 . 2]" 2
20 2 57 ASN H 2 58 SER H . . 2.900 2.761 2.633 2.901 0.001 12 0 "[ . 1 . 2]" 2
21 1 58 SER H 1 59 LEU H . . 2.900 2.605 2.303 2.764 . 0 0 "[ . 1 . 2]" 2
22 2 58 SER H 2 59 LEU H . . 2.900 2.582 2.285 2.925 0.025 18 0 "[ . 1 . 2]" 2
23 1 59 LEU H 1 60 LYS H . . 2.900 2.678 2.596 2.720 . 0 0 "[ . 1 . 2]" 2
24 2 59 LEU H 2 60 LYS H . . 2.900 2.681 2.624 2.729 . 0 0 "[ . 1 . 2]" 2
25 1 60 LYS H 1 61 LEU H . . 2.900 2.807 2.622 2.895 . 0 0 "[ . 1 . 2]" 2
26 2 60 LYS H 2 61 LEU H . . 2.900 2.836 2.705 2.903 0.003 18 0 "[ . 1 . 2]" 2
27 1 48 THR H 1 50 ALA H . . 5.000 4.812 3.626 5.022 0.022 7 0 "[ . 1 . 2]" 2
28 2 48 THR H 2 50 ALA H . . 5.000 4.776 4.083 5.017 0.017 12 0 "[ . 1 . 2]" 2
29 1 49 ALA H 1 51 ILE H . . 5.000 3.814 3.363 4.652 . 0 0 "[ . 1 . 2]" 2
30 2 49 ALA H 2 51 ILE H . . 5.000 3.715 3.372 4.485 . 0 0 "[ . 1 . 2]" 2
31 1 50 ALA H 1 52 ARG H . . 5.000 4.298 3.869 4.887 . 0 0 "[ . 1 . 2]" 2
32 2 50 ALA H 2 52 ARG H . . 5.000 4.421 3.722 4.891 . 0 0 "[ . 1 . 2]" 2
33 1 51 ILE H 1 53 GLU H . . 5.000 4.266 3.605 5.006 0.006 8 0 "[ . 1 . 2]" 2
34 2 51 ILE H 2 53 GLU H . . 5.000 3.993 3.662 4.708 . 0 0 "[ . 1 . 2]" 2
35 1 52 ARG H 1 54 PHE H . . 5.000 4.173 3.560 4.877 . 0 0 "[ . 1 . 2]" 2
36 2 52 ARG H 2 54 PHE H . . 5.000 4.284 3.789 4.831 . 0 0 "[ . 1 . 2]" 2
37 1 53 GLU H 1 55 TYR H . . 5.000 4.712 4.177 5.004 0.004 13 0 "[ . 1 . 2]" 2
38 2 53 GLU H 2 55 TYR H . . 5.000 4.559 4.070 5.008 0.008 20 0 "[ . 1 . 2]" 2
39 1 54 PHE H 1 56 ALA H . . 5.000 3.796 3.557 4.189 . 0 0 "[ . 1 . 2]" 2
40 2 54 PHE H 2 56 ALA H . . 5.000 3.879 3.544 4.454 . 0 0 "[ . 1 . 2]" 2
41 1 55 TYR H 1 57 ASN H . . 5.000 4.775 4.506 5.008 0.008 4 0 "[ . 1 . 2]" 2
42 2 55 TYR H 2 57 ASN H . . 5.000 4.699 4.257 5.006 0.006 5 0 "[ . 1 . 2]" 2
43 1 56 ALA H 1 58 SER H . . 5.000 3.612 3.291 3.996 . 0 0 "[ . 1 . 2]" 2
44 2 56 ALA H 2 58 SER H . . 5.000 3.651 3.348 4.041 . 0 0 "[ . 1 . 2]" 2
45 1 57 ASN H 1 59 LEU H . . 5.000 4.588 4.360 4.888 . 0 0 "[ . 1 . 2]" 2
46 2 57 ASN H 2 59 LEU H . . 5.000 4.532 4.221 4.951 . 0 0 "[ . 1 . 2]" 2
47 1 58 SER H 1 60 LYS H . . 5.000 3.535 3.194 3.782 . 0 0 "[ . 1 . 2]" 2
48 2 58 SER H 2 60 LYS H . . 5.000 3.565 3.289 3.747 . 0 0 "[ . 1 . 2]" 2
49 1 59 LEU H 1 61 LEU H . . 5.000 4.382 4.234 4.491 . 0 0 "[ . 1 . 2]" 2
50 2 59 LEU H 2 61 LEU H . . 5.000 4.399 4.225 4.500 . 0 0 "[ . 1 . 2]" 2
51 1 48 THR HA 1 51 ILE H . . 5.000 3.473 3.181 3.782 . 0 0 "[ . 1 . 2]" 2
52 2 48 THR HA 2 51 ILE H . . 5.000 3.438 3.139 3.872 . 0 0 "[ . 1 . 2]" 2
53 1 49 ALA HA 1 52 ARG H . . 5.000 3.765 3.412 4.157 . 0 0 "[ . 1 . 2]" 2
54 2 49 ALA HA 2 52 ARG H . . 5.000 3.855 3.443 4.142 . 0 0 "[ . 1 . 2]" 2
55 1 50 ALA HA 1 53 GLU H . . 5.000 3.483 3.044 3.820 . 0 0 "[ . 1 . 2]" 2
56 2 50 ALA HA 2 53 GLU H . . 5.000 3.437 3.022 3.729 . 0 0 "[ . 1 . 2]" 2
57 1 51 ILE HA 1 54 PHE H . . 5.000 3.657 3.223 3.930 . 0 0 "[ . 1 . 2]" 2
58 2 51 ILE HA 2 54 PHE H . . 5.000 3.605 3.179 3.911 . 0 0 "[ . 1 . 2]" 2
59 1 52 ARG HA 1 55 TYR H . . 5.000 3.717 3.502 3.918 . 0 0 "[ . 1 . 2]" 2
60 2 52 ARG HA 2 55 TYR H . . 5.000 3.677 3.392 3.904 . 0 0 "[ . 1 . 2]" 2
61 1 53 GLU HA 1 56 ALA H . . 5.000 3.748 3.458 4.025 . 0 0 "[ . 1 . 2]" 2
62 2 53 GLU HA 2 56 ALA H . . 5.000 3.792 3.543 4.068 . 0 0 "[ . 1 . 2]" 2
63 1 54 PHE HA 1 57 ASN H . . 5.000 3.592 3.181 4.136 . 0 0 "[ . 1 . 2]" 2
64 2 54 PHE HA 2 57 ASN H . . 5.000 3.649 3.181 4.050 . 0 0 "[ . 1 . 2]" 2
65 1 55 TYR HA 1 58 SER H . . 5.000 3.564 3.399 3.694 . 0 0 "[ . 1 . 2]" 2
66 2 55 TYR HA 2 58 SER H . . 5.000 3.586 3.338 3.840 . 0 0 "[ . 1 . 2]" 2
67 1 56 ALA HA 1 59 LEU H . . 5.000 3.335 3.011 3.809 . 0 0 "[ . 1 . 2]" 2
68 2 56 ALA HA 2 59 LEU H . . 5.000 3.301 2.879 3.998 . 0 0 "[ . 1 . 2]" 2
69 1 57 ASN HA 1 60 LYS H . . 5.000 3.608 3.421 3.898 . 0 0 "[ . 1 . 2]" 2
70 2 57 ASN HA 2 60 LYS H . . 5.000 3.649 3.460 3.780 . 0 0 "[ . 1 . 2]" 2
71 1 48 THR HA 1 52 ARG H . . 5.000 3.381 2.682 3.963 . 0 0 "[ . 1 . 2]" 2
72 2 48 THR HA 2 52 ARG H . . 5.000 3.233 2.700 3.742 . 0 0 "[ . 1 . 2]" 2
73 1 49 ALA HA 1 53 GLU H . . 5.000 4.002 3.517 4.326 . 0 0 "[ . 1 . 2]" 2
74 2 49 ALA HA 2 53 GLU H . . 5.000 3.943 3.627 4.294 . 0 0 "[ . 1 . 2]" 2
75 1 50 ALA HA 1 54 PHE H . . 5.000 3.898 3.450 4.208 . 0 0 "[ . 1 . 2]" 2
76 2 50 ALA HA 2 54 PHE H . . 5.000 3.888 3.601 4.084 . 0 0 "[ . 1 . 2]" 2
77 1 51 ILE HA 1 55 TYR H . . 5.000 3.846 3.511 4.079 . 0 0 "[ . 1 . 2]" 2
78 2 51 ILE HA 2 55 TYR H . . 5.000 3.892 3.627 4.173 . 0 0 "[ . 1 . 2]" 2
79 1 52 ARG HA 1 56 ALA H . . 5.000 3.924 3.414 4.366 . 0 0 "[ . 1 . 2]" 2
80 2 52 ARG HA 2 56 ALA H . . 5.000 3.792 3.347 4.154 . 0 0 "[ . 1 . 2]" 2
81 1 48 THR HA 1 51 ILE HB . . 3.300 2.134 1.980 3.122 . 0 0 "[ . 1 . 2]" 2
82 2 48 THR HA 2 51 ILE HB . . 3.300 2.107 1.957 2.762 . 0 0 "[ . 1 . 2]" 2
83 1 49 ALA HA 1 52 ARG QB . . 5.800 2.958 2.439 3.373 . 0 0 "[ . 1 . 2]" 2
84 2 49 ALA HA 2 52 ARG QB . . 5.800 3.209 2.513 4.123 . 0 0 "[ . 1 . 2]" 2
85 1 50 ALA HA 1 53 GLU QB . . 4.100 2.492 1.978 3.501 . 0 0 "[ . 1 . 2]" 2
86 2 50 ALA HA 2 53 GLU QB . . 4.100 2.260 1.960 2.849 . 0 0 "[ . 1 . 2]" 2
87 1 51 ILE HA 1 54 PHE QB . . 4.200 2.779 2.178 3.306 . 0 0 "[ . 1 . 2]" 2
88 2 51 ILE HA 2 54 PHE QB . . 4.200 2.850 2.212 3.598 . 0 0 "[ . 1 . 2]" 2
89 1 53 GLU HA 1 56 ALA MB . . 3.800 2.610 2.175 2.940 . 0 0 "[ . 1 . 2]" 2
90 2 53 GLU HA 2 56 ALA MB . . 3.800 2.679 2.161 3.022 . 0 0 "[ . 1 . 2]" 2
91 1 55 TYR HA 1 58 SER QB . . 4.100 2.470 2.056 3.735 . 0 0 "[ . 1 . 2]" 2
92 2 55 TYR HA 2 58 SER QB . . 4.100 2.582 2.075 3.586 . 0 0 "[ . 1 . 2]" 2
93 1 56 ALA HA 1 59 LEU QB . . 5.800 2.667 2.261 3.342 . 0 0 "[ . 1 . 2]" 2
94 2 56 ALA HA 2 59 LEU QB . . 5.800 2.550 1.995 3.208 . 0 0 "[ . 1 . 2]" 2
95 1 48 THR HA 1 51 ILE MG . . 5.500 3.335 2.895 4.401 . 0 0 "[ . 1 . 2]" 2
96 2 48 THR HA 2 51 ILE MG . . 5.500 3.232 2.794 3.905 . 0 0 "[ . 1 . 2]" 2
97 1 48 THR HA 1 51 ILE MD . . 5.500 2.798 1.981 3.338 . 0 0 "[ . 1 . 2]" 2
98 2 48 THR HA 2 51 ILE MD . . 5.500 2.824 1.919 3.476 . 0 0 "[ . 1 . 2]" 2
99 1 51 ILE MG 1 55 TYR QD . . 5.500 2.143 1.763 2.722 . 0 0 "[ . 1 . 2]" 2
100 2 51 ILE MG 2 55 TYR QD . . 5.500 2.157 1.883 3.097 . 0 0 "[ . 1 . 2]" 2
101 1 51 ILE MG 1 55 TYR QE . . 3.800 2.334 1.867 3.037 . 0 0 "[ . 1 . 2]" 2
102 2 51 ILE MG 2 55 TYR QE . . 3.800 2.423 1.831 2.861 . 0 0 "[ . 1 . 2]" 2
103 1 55 TYR QR 1 58 SER QB . . 8.100 4.015 3.247 5.263 . 0 0 "[ . 1 . 2]" 2
104 2 55 TYR QR 2 58 SER QB . . 8.100 4.056 3.119 5.260 . 0 0 "[ . 1 . 2]" 2
105 1 56 ALA MB 1 57 ASN H . . 3.200 2.236 2.032 2.410 . 0 0 "[ . 1 . 2]" 2
106 2 56 ALA MB 2 57 ASN H . . 3.200 2.259 2.025 2.558 . 0 0 "[ . 1 . 2]" 2
107 1 56 ALA HA 1 59 LEU MD1 . . 6.000 3.110 2.625 3.796 . 0 0 "[ . 1 . 2]" 2
108 2 56 ALA HA 2 59 LEU MD1 . . 6.000 2.914 2.388 3.647 . 0 0 "[ . 1 . 2]" 2
109 1 59 LEU HA 1 63 LEU MD1 . . 5.500 3.717 2.854 4.510 . 0 0 "[ . 1 . 2]" 2
110 2 59 LEU HA 2 63 LEU MD1 . . 5.500 3.583 2.600 4.485 . 0 0 "[ . 1 . 2]" 2
111 1 59 LEU HA 1 61 LEU H . . 3.300 3.313 3.301 3.330 0.030 2 0 "[ . 1 . 2]" 2
112 2 59 LEU HA 2 61 LEU H . . 3.300 3.316 3.303 3.334 0.034 2 0 "[ . 1 . 2]" 2
113 1 61 LEU HA 1 62 PRO HD2 . . 2.700 2.423 2.222 2.512 . 0 0 "[ . 1 . 2]" 2
114 2 61 LEU HA 2 62 PRO HD2 . . 2.700 2.442 2.204 2.514 . 0 0 "[ . 1 . 2]" 2
115 1 61 LEU HA 1 62 PRO HD3 . . 2.700 1.926 1.909 2.008 . 0 0 "[ . 1 . 2]" 2
116 2 61 LEU HA 2 62 PRO HD3 . . 2.700 1.927 1.908 2.039 . 0 0 "[ . 1 . 2]" 2
117 1 61 LEU HA 1 61 LEU MD1 . . 3.200 2.326 2.262 2.398 . 0 0 "[ . 1 . 2]" 2
118 2 61 LEU HA 2 61 LEU MD1 . . 3.200 2.328 2.178 2.557 . 0 0 "[ . 1 . 2]" 2
119 1 61 LEU MD1 1 62 PRO HD2 . . 3.800 2.060 1.880 2.719 . 0 0 "[ . 1 . 2]" 2
120 2 61 LEU MD1 2 62 PRO HD2 . . 3.800 2.035 1.913 2.705 . 0 0 "[ . 1 . 2]" 2
121 1 61 LEU MD1 1 86 PHE QR . . 7.800 3.862 2.753 4.971 . 0 0 "[ . 1 . 2]" 2
122 2 61 LEU MD1 2 86 PHE QR . . 7.800 3.818 2.375 4.964 . 0 0 "[ . 1 . 2]" 2
123 1 61 LEU MD1 1 88 TYR HA . . 5.500 4.073 2.277 4.549 . 0 0 "[ . 1 . 2]" 2
124 2 61 LEU MD1 2 88 TYR HA . . 5.500 4.073 1.818 4.530 . 0 0 "[ . 1 . 2]" 2
125 1 61 LEU MD1 1 88 TYR QR . . 6.100 3.105 1.810 3.934 . 0 0 "[ . 1 . 2]" 2
126 2 61 LEU MD1 2 88 TYR QR . . 6.100 3.115 1.959 4.071 . 0 0 "[ . 1 . 2]" 2
127 1 61 LEU MD2 1 63 LEU MD2 . . 6.000 2.816 1.684 3.889 . 0 0 "[ . 1 . 2]" 2
128 2 61 LEU MD2 2 63 LEU MD2 . . 6.000 2.548 1.772 3.850 . 0 0 "[ . 1 . 2]" 2
129 1 61 LEU MD2 1 86 PHE HB2 . . 3.800 2.527 1.960 3.277 . 0 0 "[ . 1 . 2]" 2
130 2 61 LEU MD2 2 86 PHE HB2 . . 3.800 2.317 1.809 3.314 . 0 0 "[ . 1 . 2]" 2
131 1 61 LEU MD2 1 86 PHE HB3 . . 3.800 2.548 1.771 3.070 . 0 0 "[ . 1 . 2]" 2
132 2 61 LEU MD2 2 86 PHE HB3 . . 3.800 2.623 1.806 3.038 . 0 0 "[ . 1 . 2]" 2
133 1 61 LEU MD2 1 86 PHE QR . . 6.100 2.605 1.765 3.577 . 0 0 "[ . 1 . 2]" 2
134 2 61 LEU MD2 2 86 PHE QR . . 6.100 2.561 1.759 3.369 . 0 0 "[ . 1 . 2]" 2
135 1 61 LEU MD2 1 88 TYR QR . . 7.800 3.606 2.523 4.588 . 0 0 "[ . 1 . 2]" 2
136 2 61 LEU MD2 2 88 TYR QR . . 7.800 3.310 2.396 4.734 . 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 290
_Distance_constraint_stats_list.Viol_count 237
_Distance_constraint_stats_list.Viol_total 143.655
_Distance_constraint_stats_list.Viol_max 0.907
_Distance_constraint_stats_list.Viol_rms 0.0239
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0012
_Distance_constraint_stats_list.Viol_average_violations_only 0.0303
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 2 ASN 0.009 0.009 9 0 "[ . 1 . 2]"
1 3 THR 0.192 0.043 5 0 "[ . 1 . 2]"
1 4 PRO 0.183 0.043 5 0 "[ . 1 . 2]"
1 5 GLU 0.046 0.014 13 0 "[ . 1 . 2]"
1 6 HIS 0.017 0.017 5 0 "[ . 1 . 2]"
1 7 MET 0.091 0.022 17 0 "[ . 1 . 2]"
1 8 THR 0.119 0.022 17 0 "[ . 1 . 2]"
1 9 ALA 0.025 0.006 12 0 "[ . 1 . 2]"
1 10 VAL 0.011 0.003 2 0 "[ . 1 . 2]"
1 11 VAL 0.180 0.032 14 0 "[ . 1 . 2]"
1 12 GLN 0.033 0.011 2 0 "[ . 1 . 2]"
1 13 ARG 0.014 0.009 17 0 "[ . 1 . 2]"
1 14 TYR 0.234 0.049 13 0 "[ . 1 . 2]"
1 15 VAL 0.311 0.163 13 0 "[ . 1 . 2]"
1 16 ALA 0.261 0.026 13 0 "[ . 1 . 2]"
1 17 ALA 0.044 0.014 3 0 "[ . 1 . 2]"
1 18 LEU 0.163 0.163 13 0 "[ . 1 . 2]"
1 19 ASN 0.128 0.026 13 0 "[ . 1 . 2]"
1 20 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 21 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 22 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 29 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 55 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 59 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 65 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 66 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 67 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 71 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 73 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 74 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 76 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 77 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 78 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 80 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 82 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 101 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 103 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 109 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
2 2 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
2 3 THR 0.277 0.108 4 0 "[ . 1 . 2]"
2 4 PRO 0.277 0.108 4 0 "[ . 1 . 2]"
2 5 GLU 0.048 0.019 9 0 "[ . 1 . 2]"
2 6 HIS 0.088 0.071 7 0 "[ . 1 . 2]"
2 7 MET 0.150 0.071 7 0 "[ . 1 . 2]"
2 8 THR 0.109 0.019 9 0 "[ . 1 . 2]"
2 9 ALA 0.012 0.002 7 0 "[ . 1 . 2]"
2 10 VAL 4.785 0.907 1 6 "[+ - . * 1* . * *2]"
2 11 VAL 0.221 0.029 6 0 "[ . 1 . 2]"
2 12 GLN 0.013 0.002 7 0 "[ . 1 . 2]"
2 13 ARG 0.009 0.002 20 0 "[ . 1 . 2]"
2 14 TYR 0.277 0.037 6 0 "[ . 1 . 2]"
2 15 VAL 0.433 0.176 6 0 "[ . 1 . 2]"
2 16 ALA 0.283 0.030 6 0 "[ . 1 . 2]"
2 17 ALA 0.079 0.020 9 0 "[ . 1 . 2]"
2 18 LEU 0.321 0.176 6 0 "[ . 1 . 2]"
2 19 ASN 0.148 0.030 6 0 "[ . 1 . 2]"
2 20 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
2 21 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
2 22 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
2 26 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
2 29 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
2 55 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
2 59 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
2 65 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
2 66 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
2 67 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
2 71 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
2 73 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
2 74 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
2 76 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
2 77 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
2 78 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
2 80 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
2 82 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
2 101 PHE 0.356 0.356 17 0 "[ . 1 . 2]"
2 103 PHE 4.421 0.907 1 6 "[+ - . * 1* . * *2]"
2 109 VAL 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 5 GLU H 1 6 HIS H . . 5.000 2.645 2.512 2.801 . 0 0 "[ . 1 . 2]" 3
2 2 5 GLU H 2 6 HIS H . . 5.000 2.653 2.506 2.910 . 0 0 "[ . 1 . 2]" 3
3 1 6 HIS H 1 7 MET H . . 2.900 2.607 2.491 2.744 . 0 0 "[ . 1 . 2]" 3
4 2 6 HIS H 2 7 MET H . . 2.900 2.605 2.484 2.801 . 0 0 "[ . 1 . 2]" 3
5 1 7 MET H 1 8 THR H . . 2.900 2.888 2.814 2.922 0.022 17 0 "[ . 1 . 2]" 3
6 2 7 MET H 2 8 THR H . . 2.900 2.886 2.815 2.917 0.017 11 0 "[ . 1 . 2]" 3
7 1 8 THR H 1 9 ALA H . . 2.900 2.725 2.582 2.830 . 0 0 "[ . 1 . 2]" 3
8 2 8 THR H 2 9 ALA H . . 2.900 2.731 2.588 2.809 . 0 0 "[ . 1 . 2]" 3
9 1 9 ALA H 1 10 VAL H . . 2.900 2.734 2.667 2.903 0.003 2 0 "[ . 1 . 2]" 3
10 2 9 ALA H 2 10 VAL H . . 2.900 2.731 2.565 2.887 . 0 0 "[ . 1 . 2]" 3
11 1 10 VAL H 1 11 VAL H . . 2.900 2.648 2.539 2.903 0.003 2 0 "[ . 1 . 2]" 3
12 2 10 VAL H 2 11 VAL H . . 2.900 2.649 2.537 2.792 . 0 0 "[ . 1 . 2]" 3
13 1 11 VAL H 1 12 GLN H . . 2.900 2.755 2.601 2.911 0.011 2 0 "[ . 1 . 2]" 3
14 2 11 VAL H 2 12 GLN H . . 2.900 2.737 2.594 2.871 . 0 0 "[ . 1 . 2]" 3
15 1 12 GLN H 1 13 ARG H . . 2.900 2.776 2.642 2.888 . 0 0 "[ . 1 . 2]" 3
16 2 12 GLN H 2 13 ARG H . . 2.900 2.765 2.605 2.901 0.001 12 0 "[ . 1 . 2]" 3
17 1 13 ARG H 1 14 TYR H . . 2.900 2.736 2.582 2.909 0.009 17 0 "[ . 1 . 2]" 3
18 2 13 ARG H 2 14 TYR H . . 2.900 2.723 2.570 2.851 . 0 0 "[ . 1 . 2]" 3
19 1 14 TYR H 1 15 VAL H . . 2.900 2.756 2.614 2.949 0.049 13 0 "[ . 1 . 2]" 3
20 2 14 TYR H 2 15 VAL H . . 2.900 2.752 2.588 2.937 0.037 6 0 "[ . 1 . 2]" 3
21 1 15 VAL H 1 16 ALA H . . 2.900 2.855 2.718 2.923 0.023 14 0 "[ . 1 . 2]" 3
22 2 15 VAL H 2 16 ALA H . . 2.900 2.858 2.699 2.921 0.021 13 0 "[ . 1 . 2]" 3
23 1 16 ALA H 1 17 ALA H . . 2.900 2.856 2.684 2.914 0.014 3 0 "[ . 1 . 2]" 3
24 2 16 ALA H 2 17 ALA H . . 2.900 2.876 2.673 2.920 0.020 9 0 "[ . 1 . 2]" 3
25 1 17 ALA H 1 18 LEU H . . 2.900 2.733 2.596 2.900 0.000 19 0 "[ . 1 . 2]" 3
26 2 17 ALA H 2 18 LEU H . . 2.900 2.740 2.595 2.904 0.004 14 0 "[ . 1 . 2]" 3
27 1 18 LEU H 1 19 ASN H . . 2.900 2.786 2.630 2.895 . 0 0 "[ . 1 . 2]" 3
28 2 18 LEU H 2 19 ASN H . . 2.900 2.767 2.480 2.895 . 0 0 "[ . 1 . 2]" 3
29 1 19 ASN H 1 20 ALA H . . 2.900 2.653 2.609 2.718 . 0 0 "[ . 1 . 2]" 3
30 2 19 ASN H 2 20 ALA H . . 2.900 2.649 2.568 2.846 . 0 0 "[ . 1 . 2]" 3
31 1 20 ALA H 1 21 GLY H . . 2.900 2.363 2.150 2.633 . 0 0 "[ . 1 . 2]" 3
32 2 20 ALA H 2 21 GLY H . . 2.900 2.379 2.186 2.660 . 0 0 "[ . 1 . 2]" 3
33 1 8 THR H 1 10 VAL H . . 5.000 4.086 3.891 4.375 . 0 0 "[ . 1 . 2]" 3
34 2 8 THR H 2 10 VAL H . . 5.000 4.094 3.876 4.439 . 0 0 "[ . 1 . 2]" 3
35 1 9 ALA H 1 11 VAL H . . 5.000 4.215 3.878 4.544 . 0 0 "[ . 1 . 2]" 3
36 2 9 ALA H 2 11 VAL H . . 5.000 4.220 3.942 4.516 . 0 0 "[ . 1 . 2]" 3
37 1 10 VAL H 1 12 GLN H . . 5.000 4.101 3.822 4.347 . 0 0 "[ . 1 . 2]" 3
38 2 10 VAL H 2 12 GLN H . . 5.000 4.077 3.845 4.256 . 0 0 "[ . 1 . 2]" 3
39 1 11 VAL H 1 13 ARG H . . 5.000 4.388 4.063 4.815 . 0 0 "[ . 1 . 2]" 3
40 2 11 VAL H 2 13 ARG H . . 5.000 4.361 3.976 4.629 . 0 0 "[ . 1 . 2]" 3
41 1 12 GLN H 1 14 TYR H . . 5.000 3.972 3.636 4.238 . 0 0 "[ . 1 . 2]" 3
42 2 12 GLN H 2 14 TYR H . . 5.000 3.969 3.766 4.247 . 0 0 "[ . 1 . 2]" 3
43 1 13 ARG H 1 15 VAL H . . 5.000 4.476 4.214 4.911 . 0 0 "[ . 1 . 2]" 3
44 2 13 ARG H 2 15 VAL H . . 5.000 4.472 4.207 4.801 . 0 0 "[ . 1 . 2]" 3
45 1 14 TYR H 1 16 ALA H . . 5.000 4.269 3.971 4.722 . 0 0 "[ . 1 . 2]" 3
46 2 14 TYR H 2 16 ALA H . . 5.000 4.273 3.950 4.637 . 0 0 "[ . 1 . 2]" 3
47 1 15 VAL H 1 17 ALA H . . 5.000 4.299 3.829 4.668 . 0 0 "[ . 1 . 2]" 3
48 2 15 VAL H 2 17 ALA H . . 5.000 4.328 3.909 4.708 . 0 0 "[ . 1 . 2]" 3
49 1 16 ALA H 1 18 LEU H . . 5.000 4.026 3.817 4.512 . 0 0 "[ . 1 . 2]" 3
50 2 16 ALA H 2 18 LEU H . . 5.000 4.018 3.738 4.362 . 0 0 "[ . 1 . 2]" 3
51 1 17 ALA H 1 19 ASN H . . 5.000 4.481 4.121 4.739 . 0 0 "[ . 1 . 2]" 3
52 2 17 ALA H 2 19 ASN H . . 5.000 4.462 4.213 4.702 . 0 0 "[ . 1 . 2]" 3
53 1 18 LEU H 1 20 ALA H . . 5.000 3.721 3.525 4.104 . 0 0 "[ . 1 . 2]" 3
54 2 18 LEU H 2 20 ALA H . . 5.000 3.743 3.511 4.153 . 0 0 "[ . 1 . 2]" 3
55 1 19 ASN H 1 21 GLY H . . 5.000 3.983 3.686 4.184 . 0 0 "[ . 1 . 2]" 3
56 2 19 ASN H 2 21 GLY H . . 5.000 3.947 3.743 4.204 . 0 0 "[ . 1 . 2]" 3
57 1 4 PRO HA 1 7 MET H . . 5.000 3.446 3.244 3.757 . 0 0 "[ . 1 . 2]" 3
58 2 4 PRO HA 2 7 MET H . . 5.000 3.434 3.168 3.754 . 0 0 "[ . 1 . 2]" 3
59 1 5 GLU HA 1 8 THR H . . 5.000 3.860 3.767 4.034 . 0 0 "[ . 1 . 2]" 3
60 2 5 GLU HA 2 8 THR H . . 5.000 3.860 3.740 3.987 . 0 0 "[ . 1 . 2]" 3
61 1 6 HIS HA 1 9 ALA H . . 5.000 3.518 3.324 3.737 . 0 0 "[ . 1 . 2]" 3
62 2 6 HIS HA 2 9 ALA H . . 5.000 3.527 3.381 3.727 . 0 0 "[ . 1 . 2]" 3
63 1 8 THR HA 1 11 VAL H . . 5.000 3.182 3.040 3.449 . 0 0 "[ . 1 . 2]" 3
64 2 8 THR HA 2 11 VAL H . . 5.000 3.181 3.026 3.421 . 0 0 "[ . 1 . 2]" 3
65 1 9 ALA HA 1 12 GLN H . . 5.000 3.418 3.260 3.575 . 0 0 "[ . 1 . 2]" 3
66 2 9 ALA HA 2 12 GLN H . . 5.000 3.401 3.228 3.630 . 0 0 "[ . 1 . 2]" 3
67 1 10 VAL HA 1 13 ARG H . . 5.000 3.378 3.041 3.663 . 0 0 "[ . 1 . 2]" 3
68 2 10 VAL HA 2 13 ARG H . . 5.000 3.372 3.177 3.666 . 0 0 "[ . 1 . 2]" 3
69 1 11 VAL HA 1 14 TYR H . . 5.000 3.484 3.293 3.722 . 0 0 "[ . 1 . 2]" 3
70 2 11 VAL HA 2 14 TYR H . . 5.000 3.457 3.326 3.660 . 0 0 "[ . 1 . 2]" 3
71 1 12 GLN HA 1 15 VAL H . . 5.000 3.481 3.310 3.741 . 0 0 "[ . 1 . 2]" 3
72 2 12 GLN HA 2 15 VAL H . . 5.000 3.482 3.318 3.764 . 0 0 "[ . 1 . 2]" 3
73 1 15 VAL HA 1 18 LEU H . . 5.000 3.336 3.053 3.662 . 0 0 "[ . 1 . 2]" 3
74 2 15 VAL HA 2 18 LEU H . . 5.000 3.346 3.065 3.635 . 0 0 "[ . 1 . 2]" 3
75 1 16 ALA HA 1 19 ASN H . . 5.000 3.417 3.211 3.714 . 0 0 "[ . 1 . 2]" 3
76 2 16 ALA HA 2 19 ASN H . . 5.000 3.396 3.088 3.615 . 0 0 "[ . 1 . 2]" 3
77 1 18 LEU HA 1 21 GLY H . . 5.000 3.163 2.975 3.434 . 0 0 "[ . 1 . 2]" 3
78 2 18 LEU HA 2 21 GLY H . . 5.000 3.209 2.943 3.614 . 0 0 "[ . 1 . 2]" 3
79 1 9 ALA HA 1 13 ARG H . . 5.000 4.119 3.883 4.406 . 0 0 "[ . 1 . 2]" 3
80 2 9 ALA HA 2 13 ARG H . . 5.000 4.090 3.772 4.334 . 0 0 "[ . 1 . 2]" 3
81 1 10 VAL HA 1 14 TYR H . . 5.000 3.954 3.675 4.228 . 0 0 "[ . 1 . 2]" 3
82 2 10 VAL HA 2 14 TYR H . . 5.000 3.989 3.596 4.213 . 0 0 "[ . 1 . 2]" 3
83 1 11 VAL HA 1 15 VAL H . . 5.000 4.058 3.824 4.192 . 0 0 "[ . 1 . 2]" 3
84 2 11 VAL HA 2 15 VAL H . . 5.000 4.068 3.815 4.197 . 0 0 "[ . 1 . 2]" 3
85 1 12 GLN HA 1 16 ALA H . . 5.000 4.072 3.733 4.238 . 0 0 "[ . 1 . 2]" 3
86 2 12 GLN HA 2 16 ALA H . . 5.000 4.084 3.750 4.262 . 0 0 "[ . 1 . 2]" 3
87 1 15 VAL HA 1 19 ASN H . . 5.000 4.088 3.723 4.298 . 0 0 "[ . 1 . 2]" 3
88 2 15 VAL HA 2 19 ASN H . . 5.000 4.083 3.897 4.320 . 0 0 "[ . 1 . 2]" 3
89 1 5 GLU HA 1 8 THR HB . . 3.300 3.119 2.634 3.314 0.014 13 0 "[ . 1 . 2]" 3
90 2 5 GLU HA 2 8 THR HB . . 3.300 3.112 2.562 3.319 0.019 9 0 "[ . 1 . 2]" 3
91 1 6 HIS HA 1 9 ALA MB . . 3.300 2.346 2.171 2.446 . 0 0 "[ . 1 . 2]" 3
92 2 6 HIS HA 2 9 ALA MB . . 3.300 2.378 2.183 2.529 . 0 0 "[ . 1 . 2]" 3
93 1 7 MET HA 1 10 VAL HB . . 3.300 2.752 2.556 3.034 . 0 0 "[ . 1 . 2]" 3
94 2 7 MET HA 2 10 VAL HB . . 3.300 2.718 2.459 3.138 . 0 0 "[ . 1 . 2]" 3
95 1 8 THR HA 1 11 VAL HB . . 3.300 2.418 2.184 2.669 . 0 0 "[ . 1 . 2]" 3
96 2 8 THR HA 2 11 VAL HB . . 3.300 2.405 2.175 2.739 . 0 0 "[ . 1 . 2]" 3
97 1 9 ALA HA 1 12 GLN HB2 . . 3.300 3.159 2.837 3.306 0.006 12 0 "[ . 1 . 2]" 3
98 2 9 ALA HA 2 12 GLN HB2 . . 3.300 3.116 2.813 3.302 0.002 7 0 "[ . 1 . 2]" 3
99 1 9 ALA HA 1 12 GLN HB3 . . 3.300 3.174 2.777 3.305 0.005 12 0 "[ . 1 . 2]" 3
100 2 9 ALA HA 2 12 GLN HB3 . . 3.300 3.113 2.748 3.302 0.002 16 0 "[ . 1 . 2]" 3
101 1 10 VAL HA 1 13 ARG HB2 . . 3.300 3.053 2.638 3.302 0.002 3 0 "[ . 1 . 2]" 3
102 2 10 VAL HA 2 13 ARG HB2 . . 3.300 3.069 2.703 3.302 0.002 20 0 "[ . 1 . 2]" 3
103 1 10 VAL HA 1 13 ARG HB3 . . 3.300 3.108 2.818 3.303 0.003 3 0 "[ . 1 . 2]" 3
104 2 10 VAL HA 2 13 ARG HB3 . . 3.300 3.119 2.831 3.301 0.001 12 0 "[ . 1 . 2]" 3
105 1 11 VAL HA 1 14 TYR HB2 . . 3.300 3.298 3.098 3.332 0.032 14 0 "[ . 1 . 2]" 3
106 2 11 VAL HA 2 14 TYR HB2 . . 3.300 3.291 2.991 3.329 0.029 6 0 "[ . 1 . 2]" 3
107 1 11 VAL HA 1 14 TYR HB3 . . 3.300 2.484 2.324 2.785 . 0 0 "[ . 1 . 2]" 3
108 2 11 VAL HA 2 14 TYR HB3 . . 3.300 2.464 2.216 2.742 . 0 0 "[ . 1 . 2]" 3
109 1 12 GLN HA 1 15 VAL HB . . 3.300 2.843 2.542 3.082 . 0 0 "[ . 1 . 2]" 3
110 2 12 GLN HA 2 15 VAL HB . . 3.300 2.858 2.711 3.041 . 0 0 "[ . 1 . 2]" 3
111 1 13 ARG HA 1 16 ALA MB . . 3.800 2.711 2.439 2.872 . 0 0 "[ . 1 . 2]" 3
112 2 13 ARG HA 2 16 ALA MB . . 3.800 2.713 2.464 2.954 . 0 0 "[ . 1 . 2]" 3
113 1 14 TYR HA 1 17 ALA MB . . 3.800 2.578 2.389 2.895 . 0 0 "[ . 1 . 2]" 3
114 2 14 TYR HA 2 17 ALA MB . . 3.800 2.620 2.225 2.953 . 0 0 "[ . 1 . 2]" 3
115 1 15 VAL HA 1 18 LEU HB2 . . 3.300 2.900 1.991 3.266 . 0 0 "[ . 1 . 2]" 3
116 2 15 VAL HA 2 18 LEU HB2 . . 3.300 2.903 1.978 3.301 0.001 9 0 "[ . 1 . 2]" 3
117 1 15 VAL HA 1 18 LEU HB3 . . 3.300 2.825 2.437 3.463 0.163 13 0 "[ . 1 . 2]" 3
118 2 15 VAL HA 2 18 LEU HB3 . . 3.300 2.805 2.179 3.476 0.176 6 0 "[ . 1 . 2]" 3
119 1 16 ALA HA 1 19 ASN HB2 . . 3.300 3.297 3.246 3.326 0.026 13 0 "[ . 1 . 2]" 3
120 2 16 ALA HA 2 19 ASN HB2 . . 3.300 3.255 2.763 3.329 0.029 6 0 "[ . 1 . 2]" 3
121 1 16 ALA HA 1 19 ASN HB3 . . 3.300 3.253 2.982 3.326 0.026 13 0 "[ . 1 . 2]" 3
122 2 16 ALA HA 2 19 ASN HB3 . . 3.300 3.265 3.024 3.330 0.030 6 0 "[ . 1 . 2]" 3
123 1 17 ALA HA 1 20 ALA MB . . 3.800 2.145 2.006 2.349 . 0 0 "[ . 1 . 2]" 3
124 2 17 ALA HA 2 20 ALA MB . . 3.800 2.205 1.968 2.597 . 0 0 "[ . 1 . 2]" 3
125 1 2 ASN HA 1 3 THR H . . 2.700 2.528 2.265 2.709 0.009 9 0 "[ . 1 . 2]" 3
126 2 2 ASN HA 2 3 THR H . . 2.700 2.436 2.253 2.691 . 0 0 "[ . 1 . 2]" 3
127 1 3 THR H 1 6 HIS H . . 5.000 4.208 4.030 4.541 . 0 0 "[ . 1 . 2]" 3
128 2 3 THR H 2 6 HIS H . . 5.000 4.252 3.958 4.700 . 0 0 "[ . 1 . 2]" 3
129 1 3 THR H 1 6 HIS QB . . 4.100 3.088 2.577 3.516 . 0 0 "[ . 1 . 2]" 3
130 2 3 THR H 2 6 HIS QB . . 4.100 3.141 2.597 3.652 . 0 0 "[ . 1 . 2]" 3
131 1 3 THR HA 1 4 PRO HD2 . . 2.700 2.702 2.612 2.743 0.043 5 0 "[ . 1 . 2]" 3
132 2 3 THR HA 2 4 PRO HD2 . . 2.700 2.708 2.630 2.808 0.108 4 0 "[ . 1 . 2]" 3
133 1 3 THR HA 1 4 PRO HD3 . . 2.700 1.975 1.932 1.996 . 0 0 "[ . 1 . 2]" 3
134 2 3 THR HA 2 4 PRO HD3 . . 2.700 1.979 1.939 2.037 . 0 0 "[ . 1 . 2]" 3
135 1 3 THR H 1 3 THR MG . . 3.200 2.259 1.915 2.588 . 0 0 "[ . 1 . 2]" 3
136 2 3 THR H 2 3 THR MG . . 3.200 2.336 1.926 2.545 . 0 0 "[ . 1 . 2]" 3
137 1 3 THR MG 1 5 GLU H . . 5.500 4.167 3.560 4.643 . 0 0 "[ . 1 . 2]" 3
138 2 3 THR MG 2 5 GLU H . . 5.500 4.208 3.462 4.577 . 0 0 "[ . 1 . 2]" 3
139 1 3 THR MG 1 6 HIS H . . 5.500 3.287 2.005 4.285 . 0 0 "[ . 1 . 2]" 3
140 2 3 THR MG 2 6 HIS H . . 5.500 3.380 1.924 4.299 . 0 0 "[ . 1 . 2]" 3
141 1 4 PRO HA 1 73 ALA MB . . 3.200 2.262 1.865 2.621 . 0 0 "[ . 1 . 2]" 3
142 2 4 PRO HA 2 73 ALA MB . . 3.200 2.333 1.914 2.700 . 0 0 "[ . 1 . 2]" 3
143 1 4 PRO QB 1 73 ALA MB . . 4.600 2.273 1.817 2.655 . 0 0 "[ . 1 . 2]" 3
144 2 4 PRO QB 2 73 ALA MB . . 4.600 2.347 1.857 2.995 . 0 0 "[ . 1 . 2]" 3
145 1 4 PRO HA 1 7 MET ME . . 3.800 2.195 1.973 2.432 . 0 0 "[ . 1 . 2]" 3
146 2 4 PRO HA 2 7 MET ME . . 3.800 2.149 1.960 2.560 . 0 0 "[ . 1 . 2]" 3
147 1 4 PRO HB3 1 7 MET ME . . 5.500 3.144 2.406 3.512 . 0 0 "[ . 1 . 2]" 3
148 2 4 PRO HB3 2 7 MET ME . . 5.500 3.219 2.466 3.508 . 0 0 "[ . 1 . 2]" 3
149 1 4 PRO HG3 1 7 MET ME . . 5.500 4.453 4.212 4.614 . 0 0 "[ . 1 . 2]" 3
150 2 4 PRO HG3 2 7 MET ME . . 5.500 4.450 4.180 4.626 . 0 0 "[ . 1 . 2]" 3
151 1 4 PRO HD2 1 5 GLU H . . 5.000 2.261 2.252 2.285 . 0 0 "[ . 1 . 2]" 3
152 2 4 PRO HD2 2 5 GLU H . . 5.000 2.280 2.253 2.498 . 0 0 "[ . 1 . 2]" 3
153 1 6 HIS HD2 1 7 MET H . . 5.000 4.551 3.192 5.017 0.017 5 0 "[ . 1 . 2]" 3
154 2 6 HIS HD2 2 7 MET H . . 5.000 4.630 3.806 5.071 0.071 7 0 "[ . 1 . 2]" 3
155 1 7 MET ME 1 73 ALA MB . . 4.300 1.822 1.672 2.142 . 0 0 "[ . 1 . 2]" 3
156 2 7 MET ME 2 73 ALA MB . . 4.300 1.942 1.692 2.794 . 0 0 "[ . 1 . 2]" 3
157 1 7 MET ME 1 77 GLU H . . 3.800 2.769 2.209 3.054 . 0 0 "[ . 1 . 2]" 3
158 2 7 MET ME 2 77 GLU H . . 3.800 2.787 2.233 3.008 . 0 0 "[ . 1 . 2]" 3
159 1 7 MET ME 1 74 VAL H . . 3.800 2.605 2.162 2.939 . 0 0 "[ . 1 . 2]" 3
160 2 7 MET ME 2 74 VAL H . . 3.800 2.618 2.034 3.045 . 0 0 "[ . 1 . 2]" 3
161 1 7 MET ME 1 78 ALA MB . . 6.000 3.158 2.474 3.809 . 0 0 "[ . 1 . 2]" 3
162 2 7 MET ME 2 78 ALA MB . . 6.000 3.365 2.557 4.009 . 0 0 "[ . 1 . 2]" 3
163 1 7 MET HA 1 103 PHE QR . . 5.000 2.673 1.965 3.449 . 0 0 "[ . 1 . 2]" 3
164 2 7 MET HA 2 103 PHE QR . . 5.000 2.709 1.950 3.340 . 0 0 "[ . 1 . 2]" 3
165 1 7 MET ME 1 76 ASN H . . 5.500 3.425 2.993 4.229 . 0 0 "[ . 1 . 2]" 3
166 2 7 MET ME 2 76 ASN H . . 5.500 3.355 2.890 4.069 . 0 0 "[ . 1 . 2]" 3
167 1 8 THR HA 1 71 VAL MG1 . . 3.800 2.645 2.323 2.913 . 0 0 "[ . 1 . 2]" 3
168 2 8 THR HA 2 71 VAL MG1 . . 3.800 2.721 2.125 3.044 . 0 0 "[ . 1 . 2]" 3
169 1 8 THR MG 1 71 VAL MG2 . . 4.300 2.554 2.037 2.851 . 0 0 "[ . 1 . 2]" 3
170 2 8 THR MG 2 71 VAL MG2 . . 4.300 2.626 2.144 2.863 . 0 0 "[ . 1 . 2]" 3
171 1 8 THR MG 1 71 VAL MG1 . . 4.300 2.322 1.711 2.763 . 0 0 "[ . 1 . 2]" 3
172 2 8 THR MG 2 71 VAL MG1 . . 4.300 2.370 1.732 2.719 . 0 0 "[ . 1 . 2]" 3
173 1 8 THR MG 1 71 VAL HB . . 3.800 2.317 1.944 2.734 . 0 0 "[ . 1 . 2]" 3
174 2 8 THR MG 2 71 VAL HB . . 3.800 2.426 1.892 2.857 . 0 0 "[ . 1 . 2]" 3
175 1 8 THR HA 1 73 ALA MB . . 5.500 4.072 3.246 4.458 . 0 0 "[ . 1 . 2]" 3
176 2 8 THR HA 2 73 ALA MB . . 5.500 4.017 3.278 4.486 . 0 0 "[ . 1 . 2]" 3
177 1 8 THR H 1 73 ALA MB . . 5.500 3.467 2.745 3.743 . 0 0 "[ . 1 . 2]" 3
178 2 8 THR H 2 73 ALA MB . . 5.500 3.472 2.987 4.093 . 0 0 "[ . 1 . 2]" 3
179 1 10 VAL H 1 10 VAL HB . . 3.300 2.201 2.023 2.384 . 0 0 "[ . 1 . 2]" 3
180 2 10 VAL H 2 10 VAL HB . . 3.300 2.173 2.100 2.320 . 0 0 "[ . 1 . 2]" 3
181 1 10 VAL HB 1 11 VAL H . . 5.000 2.751 2.456 3.621 . 0 0 "[ . 1 . 2]" 3
182 2 10 VAL HB 2 11 VAL H . . 5.000 2.738 2.533 2.960 . 0 0 "[ . 1 . 2]" 3
183 1 10 VAL QG 1 109 VAL MG2 . . 4.300 2.615 2.278 2.860 . 0 0 "[ . 1 . 2]" 3
184 2 10 VAL QG 2 109 VAL MG2 . . 4.300 2.531 1.874 3.006 . 0 0 "[ . 1 . 2]" 3
185 1 10 VAL QG 1 29 LEU MD2 . . 4.300 2.007 1.771 2.340 . 0 0 "[ . 1 . 2]" 3
186 2 10 VAL QG 2 29 LEU MD2 . . 4.300 2.060 1.650 2.421 . 0 0 "[ . 1 . 2]" 3
187 1 10 VAL QG 1 103 PHE QE . . 3.800 2.411 1.923 2.681 . 0 0 "[ . 1 . 2]" 3
188 2 10 VAL QG 2 103 PHE HE1 . . 3.800 3.584 2.269 4.707 0.907 1 6 "[+ - . * 1* . * *2]" 3
189 1 10 VAL QG 1 103 PHE HZ . . 5.500 2.273 1.752 3.250 . 0 0 "[ . 1 . 2]" 3
190 2 10 VAL QG 2 103 PHE HZ . . 5.500 2.392 1.786 3.660 . 0 0 "[ . 1 . 2]" 3
191 1 10 VAL QG 1 101 PHE HE2 . . 5.500 3.983 2.910 5.360 . 0 0 "[ . 1 . 2]" 3
192 2 10 VAL QG 2 101 PHE HE2 . . 5.500 4.184 3.075 5.856 0.356 17 0 "[ . 1 . 2]" 3
193 1 11 VAL H 1 11 VAL MG2 . . 3.200 2.422 2.074 2.564 . 0 0 "[ . 1 . 2]" 3
194 2 11 VAL H 2 11 VAL MG2 . . 3.200 2.446 2.079 2.593 . 0 0 "[ . 1 . 2]" 3
195 1 11 VAL MG1 1 12 GLN HA . . 5.500 3.176 2.973 3.520 . 0 0 "[ . 1 . 2]" 3
196 2 11 VAL MG1 2 12 GLN HA . . 5.500 3.158 3.010 3.573 . 0 0 "[ . 1 . 2]" 3
197 1 11 VAL MG1 1 15 VAL MG2 . . 6.000 2.619 2.009 2.911 . 0 0 "[ . 1 . 2]" 3
198 2 11 VAL MG1 2 15 VAL MG2 . . 6.000 2.590 2.121 2.816 . 0 0 "[ . 1 . 2]" 3
199 1 11 VAL HA 1 15 VAL MG2 . . 5.500 4.063 3.396 4.443 . 0 0 "[ . 1 . 2]" 3
200 2 11 VAL HA 2 15 VAL MG2 . . 5.500 4.090 3.521 4.419 . 0 0 "[ . 1 . 2]" 3
201 1 11 VAL HA 1 101 PHE HE2 . . 5.000 2.977 1.999 4.738 . 0 0 "[ . 1 . 2]" 3
202 2 11 VAL HA 2 101 PHE HE2 . . 5.000 2.938 2.047 4.752 . 0 0 "[ . 1 . 2]" 3
203 1 11 VAL MG1 1 71 VAL MG1 . . 6.000 2.628 1.933 3.195 . 0 0 "[ . 1 . 2]" 3
204 2 11 VAL MG1 2 71 VAL MG1 . . 6.000 2.583 1.979 3.319 . 0 0 "[ . 1 . 2]" 3
205 1 11 VAL MG1 1 71 VAL MG2 . . 4.300 2.266 1.855 2.643 . 0 0 "[ . 1 . 2]" 3
206 2 11 VAL MG1 2 71 VAL MG2 . . 4.300 2.345 1.882 2.672 . 0 0 "[ . 1 . 2]" 3
207 1 11 VAL HB 1 71 VAL MG2 . . 5.500 3.574 2.920 4.170 . 0 0 "[ . 1 . 2]" 3
208 2 11 VAL HB 2 71 VAL MG2 . . 5.500 3.707 2.762 4.177 . 0 0 "[ . 1 . 2]" 3
209 1 11 VAL HB 1 71 VAL MG1 . . 5.500 3.124 2.652 3.536 . 0 0 "[ . 1 . 2]" 3
210 2 11 VAL HB 2 71 VAL MG1 . . 5.500 3.109 2.436 3.583 . 0 0 "[ . 1 . 2]" 3
211 1 11 VAL MG2 1 78 ALA MB . . 4.300 2.288 1.733 2.794 . 0 0 "[ . 1 . 2]" 3
212 2 11 VAL MG2 2 78 ALA MB . . 4.300 2.223 1.641 2.696 . 0 0 "[ . 1 . 2]" 3
213 1 11 VAL MG1 1 67 LEU QD . . 4.700 2.359 1.710 2.884 . 0 0 "[ . 1 . 2]" 3
214 2 11 VAL MG1 2 67 LEU QD . . 4.700 2.408 1.843 2.898 . 0 0 "[ . 1 . 2]" 3
215 1 11 VAL MG1 1 80 PHE QR . . 7.800 2.368 2.155 2.769 . 0 0 "[ . 1 . 2]" 3
216 2 11 VAL MG1 2 80 PHE QR . . 7.800 2.322 1.974 2.624 . 0 0 "[ . 1 . 2]" 3
217 1 11 VAL MG2 1 80 PHE QD . . 5.500 2.386 1.964 3.284 . 0 0 "[ . 1 . 2]" 3
218 2 11 VAL MG2 2 80 PHE QD . . 5.500 2.349 1.882 2.900 . 0 0 "[ . 1 . 2]" 3
219 1 11 VAL MG2 1 101 PHE HE2 . . 3.800 2.876 1.981 3.785 . 0 0 "[ . 1 . 2]" 3
220 2 11 VAL MG2 2 101 PHE HE2 . . 3.800 2.772 1.980 3.793 . 0 0 "[ . 1 . 2]" 3
221 1 11 VAL MG2 1 101 PHE QD . . 5.500 2.533 1.801 4.142 . 0 0 "[ . 1 . 2]" 3
222 2 11 VAL MG2 2 101 PHE QD . . 5.500 2.568 1.787 4.312 . 0 0 "[ . 1 . 2]" 3
223 1 11 VAL MG2 1 71 VAL MG1 . . 6.000 2.583 1.928 3.323 . 0 0 "[ . 1 . 2]" 3
224 2 11 VAL MG2 2 71 VAL MG1 . . 6.000 2.611 1.900 3.222 . 0 0 "[ . 1 . 2]" 3
225 1 12 GLN HA 1 15 VAL MG1 . . 5.500 4.117 3.846 4.327 . 0 0 "[ . 1 . 2]" 3
226 2 12 GLN HA 2 15 VAL MG1 . . 5.500 4.128 3.961 4.323 . 0 0 "[ . 1 . 2]" 3
227 1 12 GLN HA 1 67 LEU QD . . 6.500 3.268 2.429 4.114 . 0 0 "[ . 1 . 2]" 3
228 2 12 GLN HA 2 67 LEU QD . . 6.500 3.154 2.020 4.373 . 0 0 "[ . 1 . 2]" 3
229 1 14 TYR H 1 29 LEU MD1 . . 3.800 2.906 2.638 3.073 . 0 0 "[ . 1 . 2]" 3
230 2 14 TYR H 2 29 LEU MD1 . . 3.800 2.899 2.605 3.118 . 0 0 "[ . 1 . 2]" 3
231 1 14 TYR HA 1 29 LEU MD1 . . 3.800 1.970 1.771 2.382 . 0 0 "[ . 1 . 2]" 3
232 2 14 TYR HA 2 29 LEU MD1 . . 3.800 1.942 1.770 2.447 . 0 0 "[ . 1 . 2]" 3
233 1 14 TYR QD 1 15 VAL MG2 . . 5.500 2.212 1.934 2.713 . 0 0 "[ . 1 . 2]" 3
234 2 14 TYR QD 2 15 VAL MG2 . . 5.500 2.150 1.938 2.586 . 0 0 "[ . 1 . 2]" 3
235 1 15 VAL MG1 1 65 VAL HB . . 5.500 3.682 3.055 4.405 . 0 0 "[ . 1 . 2]" 3
236 2 15 VAL MG1 2 65 VAL HB . . 5.500 3.681 2.591 4.353 . 0 0 "[ . 1 . 2]" 3
237 1 15 VAL MG1 1 65 VAL MG1 . . 4.300 2.348 1.913 2.745 . 0 0 "[ . 1 . 2]" 3
238 2 15 VAL MG1 2 65 VAL MG1 . . 4.300 2.422 1.697 2.680 . 0 0 "[ . 1 . 2]" 3
239 1 15 VAL MG1 1 66 GLU HA . . 5.500 2.454 1.763 3.420 . 0 0 "[ . 1 . 2]" 3
240 2 15 VAL MG1 2 66 GLU HA . . 5.500 2.560 1.763 3.346 . 0 0 "[ . 1 . 2]" 3
241 1 15 VAL MG2 1 67 LEU HG . . 5.500 3.417 2.326 4.359 . 0 0 "[ . 1 . 2]" 3
242 2 15 VAL MG2 2 67 LEU HG . . 5.500 3.412 2.192 4.412 . 0 0 "[ . 1 . 2]" 3
243 1 15 VAL MG1 1 16 ALA H . . 3.800 3.017 2.923 3.151 . 0 0 "[ . 1 . 2]" 3
244 2 15 VAL MG1 2 16 ALA H . . 3.800 3.028 2.904 3.123 . 0 0 "[ . 1 . 2]" 3
245 1 15 VAL MG1 1 16 ALA HA . . 5.500 3.222 2.998 3.539 . 0 0 "[ . 1 . 2]" 3
246 2 15 VAL MG1 2 16 ALA HA . . 5.500 3.240 2.967 3.543 . 0 0 "[ . 1 . 2]" 3
247 1 15 VAL HA 1 18 LEU QD . . 5.500 3.068 2.485 3.434 . 0 0 "[ . 1 . 2]" 3
248 2 15 VAL HA 2 18 LEU QD . . 5.500 3.060 2.637 3.477 . 0 0 "[ . 1 . 2]" 3
249 1 15 VAL HA 1 65 VAL MG1 . . 5.500 3.448 2.010 4.296 . 0 0 "[ . 1 . 2]" 3
250 2 15 VAL HA 2 65 VAL MG1 . . 5.500 3.392 1.982 4.337 . 0 0 "[ . 1 . 2]" 3
251 1 15 VAL MG1 1 67 LEU H . . 5.500 2.855 1.724 4.094 . 0 0 "[ . 1 . 2]" 3
252 2 15 VAL MG1 2 67 LEU H . . 5.500 2.840 1.823 3.691 . 0 0 "[ . 1 . 2]" 3
253 1 15 VAL MG1 1 66 GLU H . . 5.500 3.936 3.211 4.621 . 0 0 "[ . 1 . 2]" 3
254 2 15 VAL MG1 2 66 GLU H . . 5.500 3.995 3.301 4.541 . 0 0 "[ . 1 . 2]" 3
255 1 15 VAL MG2 1 82 PHE QR . . 7.800 3.539 1.994 4.208 . 0 0 "[ . 1 . 2]" 3
256 2 15 VAL MG2 2 82 PHE QR . . 7.800 3.607 1.951 4.196 . 0 0 "[ . 1 . 2]" 3
257 1 15 VAL MG1 1 67 LEU HG . . 5.500 3.977 2.553 4.440 . 0 0 "[ . 1 . 2]" 3
258 2 15 VAL MG1 2 67 LEU HG . . 5.500 3.882 2.703 4.450 . 0 0 "[ . 1 . 2]" 3
259 1 17 ALA MB 1 26 ILE MD . . 4.300 2.730 2.469 2.817 . 0 0 "[ . 1 . 2]" 3
260 2 17 ALA MB 2 26 ILE MD . . 4.300 2.749 2.564 2.835 . 0 0 "[ . 1 . 2]" 3
261 1 17 ALA HA 1 22 ASP H . . 5.000 3.844 3.203 4.199 . 0 0 "[ . 1 . 2]" 3
262 2 17 ALA HA 2 22 ASP H . . 5.000 3.743 3.307 4.072 . 0 0 "[ . 1 . 2]" 3
263 1 17 ALA MB 1 26 ILE HA . . 5.500 3.296 3.087 3.712 . 0 0 "[ . 1 . 2]" 3
264 2 17 ALA MB 2 26 ILE HA . . 5.500 3.176 2.874 3.567 . 0 0 "[ . 1 . 2]" 3
265 1 17 ALA MB 1 29 LEU MD1 . . 4.300 2.675 2.349 2.934 . 0 0 "[ . 1 . 2]" 3
266 2 17 ALA MB 2 29 LEU MD1 . . 4.300 2.618 2.375 2.961 . 0 0 "[ . 1 . 2]" 3
267 1 17 ALA MB 1 22 ASP H . . 5.500 3.638 3.327 4.004 . 0 0 "[ . 1 . 2]" 3
268 2 17 ALA MB 2 22 ASP H . . 5.500 3.682 3.192 3.887 . 0 0 "[ . 1 . 2]" 3
269 1 18 LEU HA 1 59 LEU MD2 . . 5.500 3.269 2.247 3.893 . 0 0 "[ . 1 . 2]" 3
270 2 18 LEU HA 2 59 LEU MD2 . . 5.500 3.239 2.251 3.942 . 0 0 "[ . 1 . 2]" 3
271 1 18 LEU HA 1 22 ASP H . . 5.000 3.589 3.028 4.134 . 0 0 "[ . 1 . 2]" 3
272 2 18 LEU HA 2 22 ASP H . . 5.000 3.794 3.573 3.999 . 0 0 "[ . 1 . 2]" 3
273 1 18 LEU H 1 26 ILE MD . . 5.500 3.204 2.779 3.559 . 0 0 "[ . 1 . 2]" 3
274 2 18 LEU H 2 26 ILE MD . . 5.500 3.242 3.048 3.802 . 0 0 "[ . 1 . 2]" 3
275 1 18 LEU HA 1 26 ILE MD . . 5.500 1.874 1.766 2.104 . 0 0 "[ . 1 . 2]" 3
276 2 18 LEU HA 2 26 ILE MD . . 5.500 1.881 1.766 2.382 . 0 0 "[ . 1 . 2]" 3
277 1 18 LEU QD 1 19 ASN H . . 5.000 3.821 3.784 3.894 . 0 0 "[ . 1 . 2]" 3
278 2 18 LEU QD 2 19 ASN H . . 5.000 3.821 3.776 3.900 . 0 0 "[ . 1 . 2]" 3
279 1 18 LEU QD 1 26 ILE MD . . 4.300 2.079 1.685 2.612 . 0 0 "[ . 1 . 2]" 3
280 2 18 LEU QD 2 26 ILE MD . . 4.300 2.105 1.651 2.673 . 0 0 "[ . 1 . 2]" 3
281 1 14 TYR QE 1 18 LEU QD . . 3.800 2.716 2.241 2.942 . 0 0 "[ . 1 . 2]" 3
282 2 14 TYR QE 2 18 LEU QD . . 3.800 2.698 2.140 2.940 . 0 0 "[ . 1 . 2]" 3
283 1 18 LEU QD 1 65 VAL MG1 . . 6.000 2.549 1.756 3.322 . 0 0 "[ . 1 . 2]" 3
284 2 18 LEU QD 2 65 VAL MG1 . . 6.000 2.502 1.891 3.578 . 0 0 "[ . 1 . 2]" 3
285 1 18 LEU QD 1 65 VAL MG2 . . 6.000 2.422 1.660 3.064 . 0 0 "[ . 1 . 2]" 3
286 2 18 LEU QD 2 65 VAL MG2 . . 6.000 2.365 1.842 3.002 . 0 0 "[ . 1 . 2]" 3
287 1 18 LEU QD 1 55 TYR QD . . 3.800 2.634 1.967 3.229 . 0 0 "[ . 1 . 2]" 3
288 2 18 LEU QD 2 55 TYR QD . . 3.800 2.632 2.163 3.191 . 0 0 "[ . 1 . 2]" 3
289 1 18 LEU QD 1 55 TYR QE . . 3.800 2.715 1.961 3.155 . 0 0 "[ . 1 . 2]" 3
290 2 18 LEU QD 2 55 TYR QE . . 3.800 2.687 2.060 3.111 . 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 172
_Distance_constraint_stats_list.Viol_count 137
_Distance_constraint_stats_list.Viol_total 94.871
_Distance_constraint_stats_list.Viol_max 0.194
_Distance_constraint_stats_list.Viol_rms 0.0103
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0014
_Distance_constraint_stats_list.Viol_average_violations_only 0.0346
_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 31 ALA 0.071 0.064 13 0 "[ . 1 . 2]"
1 32 ASP 0.071 0.064 13 0 "[ . 1 . 2]"
1 33 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 34 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 THR 0.054 0.027 19 0 "[ . 1 . 2]"
1 36 VAL 0.043 0.016 7 0 "[ . 1 . 2]"
1 37 GLU 0.242 0.051 8 0 "[ . 1 . 2]"
1 38 ASP 0.008 0.008 8 0 "[ . 1 . 2]"
1 39 PRO 0.179 0.179 6 0 "[ . 1 . 2]"
1 40 VAL 0.393 0.179 6 0 "[ . 1 . 2]"
1 41 GLY 1.214 0.108 1 0 "[ . 1 . 2]"
1 42 SER 1.255 0.108 1 0 "[ . 1 . 2]"
1 43 GLU 0.393 0.092 8 0 "[ . 1 . 2]"
1 44 PRO 0.497 0.052 13 0 "[ . 1 . 2]"
1 45 ARG 0.121 0.024 20 0 "[ . 1 . 2]"
1 46 SER 0.024 0.024 20 0 "[ . 1 . 2]"
1 47 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 48 THR 0.000 0.000 6 0 "[ . 1 . 2]"
1 50 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 51 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 54 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 55 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 109 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 110 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 112 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 114 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 115 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 116 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
2 31 ALA 0.023 0.012 13 0 "[ . 1 . 2]"
2 32 ASP 0.029 0.012 13 0 "[ . 1 . 2]"
2 33 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
2 34 ALA 0.046 0.046 14 0 "[ . 1 . 2]"
2 35 THR 0.181 0.058 13 0 "[ . 1 . 2]"
2 36 VAL 0.059 0.018 19 0 "[ . 1 . 2]"
2 37 GLU 0.190 0.069 16 0 "[ . 1 . 2]"
2 38 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
2 39 PRO 0.530 0.194 17 0 "[ . 1 . 2]"
2 40 VAL 0.777 0.194 17 0 "[ . 1 . 2]"
2 41 GLY 1.026 0.153 9 0 "[ . 1 . 2]"
2 42 SER 0.961 0.153 9 0 "[ . 1 . 2]"
2 43 GLU 0.380 0.074 16 0 "[ . 1 . 2]"
2 44 PRO 0.587 0.073 4 0 "[ . 1 . 2]"
2 45 ARG 0.124 0.025 16 0 "[ . 1 . 2]"
2 46 SER 0.000 0.000 . 0 "[ . 1 . 2]"
2 47 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
2 48 THR 0.007 0.007 16 0 "[ . 1 . 2]"
2 50 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
2 51 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
2 54 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
2 55 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
2 109 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
2 110 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
2 112 MET 0.000 0.000 . 0 "[ . 1 . 2]"
2 114 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
2 115 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
2 116 PHE 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 34 ALA HA 1 35 THR H . . 2.700 2.534 2.416 2.682 . 0 0 "[ . 1 . 2]" 4
2 2 34 ALA HA 2 35 THR H . . 2.700 2.516 2.340 2.746 0.046 14 0 "[ . 1 . 2]" 4
3 1 35 THR HA 1 36 VAL H . . 2.700 2.172 2.150 2.245 . 0 0 "[ . 1 . 2]" 4
4 2 35 THR HA 2 36 VAL H . . 2.700 2.172 2.150 2.226 . 0 0 "[ . 1 . 2]" 4
5 1 36 VAL HA 1 37 GLU H . . 2.700 2.281 2.241 2.420 . 0 0 "[ . 1 . 2]" 4
6 2 36 VAL HA 2 37 GLU H . . 2.700 2.284 2.238 2.398 . 0 0 "[ . 1 . 2]" 4
7 1 37 GLU HA 1 38 ASP H . . 2.700 2.431 2.204 2.672 . 0 0 "[ . 1 . 2]" 4
8 2 37 GLU HA 2 38 ASP H . . 2.700 2.401 2.208 2.615 . 0 0 "[ . 1 . 2]" 4
9 1 38 ASP HA 1 39 PRO HA . . 2.700 1.947 1.781 2.126 . 0 0 "[ . 1 . 2]" 4
10 2 38 ASP HA 2 39 PRO HA . . 2.700 1.987 1.790 2.165 . 0 0 "[ . 1 . 2]" 4
11 1 43 GLU HA 1 44 PRO HD2 . . 2.700 2.303 2.197 2.409 . 0 0 "[ . 1 . 2]" 4
12 2 43 GLU HA 2 44 PRO HD2 . . 2.700 2.300 2.200 2.414 . 0 0 "[ . 1 . 2]" 4
13 1 43 GLU HA 1 44 PRO HD3 . . 2.700 2.513 2.196 2.710 0.010 12 0 "[ . 1 . 2]" 4
14 2 43 GLU HA 2 44 PRO HD3 . . 2.700 2.505 2.238 2.719 0.019 14 0 "[ . 1 . 2]" 4
15 1 44 PRO HA 1 45 ARG H . . 2.700 2.449 2.227 2.718 0.018 2 0 "[ . 1 . 2]" 4
16 2 44 PRO HA 2 45 ARG H . . 2.700 2.471 2.228 2.725 0.025 16 0 "[ . 1 . 2]" 4
17 1 45 ARG HA 1 46 SER H . . 2.700 2.359 2.227 2.724 0.024 20 0 "[ . 1 . 2]" 4
18 2 45 ARG HA 2 46 SER H . . 2.700 2.382 2.226 2.676 . 0 0 "[ . 1 . 2]" 4
19 1 46 SER HA 1 47 GLY H . . 2.700 2.312 2.216 2.539 . 0 0 "[ . 1 . 2]" 4
20 2 46 SER HA 2 47 GLY H . . 2.700 2.303 2.223 2.460 . 0 0 "[ . 1 . 2]" 4
21 1 47 GLY HA2 1 48 THR H . . 2.700 2.261 2.199 2.527 . 0 0 "[ . 1 . 2]" 4
22 2 47 GLY HA2 2 48 THR H . . 2.700 2.290 2.200 2.449 . 0 0 "[ . 1 . 2]" 4
23 1 33 ASP HA 1 47 GLY HA2 . . 5.000 2.177 1.976 2.679 . 0 0 "[ . 1 . 2]" 4
24 2 33 ASP HA 2 47 GLY HA2 . . 5.000 2.209 1.970 2.686 . 0 0 "[ . 1 . 2]" 4
25 1 35 THR HA 1 46 SER HA . . 2.700 2.020 1.980 2.155 . 0 0 "[ . 1 . 2]" 4
26 2 35 THR HA 2 46 SER HA . . 2.700 2.014 1.957 2.197 . 0 0 "[ . 1 . 2]" 4
27 1 37 GLU HA 1 44 PRO HA . . 2.700 2.682 2.541 2.751 0.051 8 0 "[ . 1 . 2]" 4
28 2 37 GLU HA 2 44 PRO HA . . 2.700 2.648 2.338 2.769 0.069 16 0 "[ . 1 . 2]" 4
29 1 36 VAL H 1 45 ARG H . . 3.300 3.083 2.400 3.316 0.016 7 0 "[ . 1 . 2]" 4
30 2 36 VAL H 2 45 ARG H . . 3.300 3.100 2.691 3.318 0.018 19 0 "[ . 1 . 2]" 4
31 1 33 ASP HA 1 48 THR H . . 5.000 3.267 2.319 3.986 . 0 0 "[ . 1 . 2]" 4
32 2 33 ASP HA 2 48 THR H . . 5.000 3.306 1.928 4.010 . 0 0 "[ . 1 . 2]" 4
33 1 35 THR HA 1 47 GLY H . . 5.000 3.580 3.230 3.771 . 0 0 "[ . 1 . 2]" 4
34 2 35 THR HA 2 47 GLY H . . 5.000 3.478 3.018 3.791 . 0 0 "[ . 1 . 2]" 4
35 1 36 VAL H 1 46 SER HA . . 5.000 3.323 2.449 3.716 . 0 0 "[ . 1 . 2]" 4
36 2 36 VAL H 2 46 SER HA . . 5.000 3.305 2.469 3.671 . 0 0 "[ . 1 . 2]" 4
37 1 37 GLU HA 1 45 ARG H . . 5.000 3.613 3.210 4.090 . 0 0 "[ . 1 . 2]" 4
38 2 37 GLU HA 2 45 ARG H . . 5.000 3.581 3.170 4.076 . 0 0 "[ . 1 . 2]" 4
39 1 38 ASP H 1 44 PRO HA . . 5.000 4.563 4.008 5.008 0.008 8 0 "[ . 1 . 2]" 4
40 2 38 ASP H 2 44 PRO HA . . 5.000 4.434 3.895 4.919 . 0 0 "[ . 1 . 2]" 4
41 1 31 ALA HA 1 32 ASP H . . 2.700 2.604 2.502 2.764 0.064 13 0 "[ . 1 . 2]" 4
42 2 31 ALA HA 2 32 ASP H . . 2.700 2.584 2.489 2.712 0.012 13 0 "[ . 1 . 2]" 4
43 1 31 ALA MB 1 32 ASP H . . 3.200 2.382 2.181 2.554 . 0 0 "[ . 1 . 2]" 4
44 2 31 ALA MB 2 32 ASP H . . 3.200 2.394 2.122 2.613 . 0 0 "[ . 1 . 2]" 4
45 1 31 ALA H 1 109 VAL MG2 . . 5.500 4.436 3.764 4.604 . 0 0 "[ . 1 . 2]" 4
46 2 31 ALA H 2 109 VAL MG2 . . 5.500 4.383 3.794 4.578 . 0 0 "[ . 1 . 2]" 4
47 1 31 ALA H 1 109 VAL HB . . 5.000 3.338 2.950 3.603 . 0 0 "[ . 1 . 2]" 4
48 2 31 ALA H 2 109 VAL HB . . 5.000 3.335 2.860 3.745 . 0 0 "[ . 1 . 2]" 4
49 1 31 ALA H 1 110 VAL HA . . 5.000 3.522 3.079 4.419 . 0 0 "[ . 1 . 2]" 4
50 2 31 ALA H 2 110 VAL HA . . 5.000 3.570 3.133 4.207 . 0 0 "[ . 1 . 2]" 4
51 1 31 ALA H 1 34 ALA MB . . 3.800 2.870 2.703 2.989 . 0 0 "[ . 1 . 2]" 4
52 2 31 ALA H 2 34 ALA MB . . 3.800 2.842 2.681 3.023 . 0 0 "[ . 1 . 2]" 4
53 1 31 ALA MB 1 33 ASP H . . 3.200 2.285 2.080 2.484 . 0 0 "[ . 1 . 2]" 4
54 2 31 ALA MB 2 33 ASP H . . 3.200 2.251 1.980 2.490 . 0 0 "[ . 1 . 2]" 4
55 1 31 ALA MB 1 34 ALA MB . . 3.700 1.945 1.916 2.057 . 0 0 "[ . 1 . 2]" 4
56 2 31 ALA MB 2 34 ALA MB . . 3.700 1.968 1.918 2.229 . 0 0 "[ . 1 . 2]" 4
57 1 31 ALA MB 1 34 ALA H . . 3.800 2.466 2.085 2.847 . 0 0 "[ . 1 . 2]" 4
58 2 31 ALA MB 2 34 ALA H . . 3.800 2.417 2.008 2.921 . 0 0 "[ . 1 . 2]" 4
59 1 31 ALA MB 1 110 VAL HA . . 5.500 2.315 1.968 3.077 . 0 0 "[ . 1 . 2]" 4
60 2 31 ALA MB 2 110 VAL HA . . 5.500 2.344 1.987 2.883 . 0 0 "[ . 1 . 2]" 4
61 1 31 ALA MB 1 110 VAL MG2 . . 4.300 1.866 1.747 2.057 . 0 0 "[ . 1 . 2]" 4
62 2 31 ALA MB 2 110 VAL MG2 . . 4.300 1.877 1.774 2.107 . 0 0 "[ . 1 . 2]" 4
63 1 31 ALA MB 1 110 VAL MG1 . . 6.000 2.974 2.458 3.198 . 0 0 "[ . 1 . 2]" 4
64 2 31 ALA MB 2 110 VAL MG1 . . 6.000 3.008 2.780 3.300 . 0 0 "[ . 1 . 2]" 4
65 1 32 ASP H 1 33 ASP H . . 2.700 2.050 1.891 2.203 . 0 0 "[ . 1 . 2]" 4
66 2 32 ASP H 2 33 ASP H . . 2.700 2.115 1.933 2.502 . 0 0 "[ . 1 . 2]" 4
67 1 32 ASP HA 1 48 THR MG . . 3.800 2.354 1.804 2.988 . 0 0 "[ . 1 . 2]" 4
68 2 32 ASP HA 2 48 THR MG . . 3.800 2.449 1.860 3.013 . 0 0 "[ . 1 . 2]" 4
69 1 32 ASP HA 1 48 THR H . . 5.000 4.156 3.458 5.000 . 6 0 "[ . 1 . 2]" 4
70 2 32 ASP HA 2 48 THR H . . 5.000 4.473 3.661 5.007 0.007 16 0 "[ . 1 . 2]" 4
71 1 33 ASP H 1 34 ALA H . . 2.700 2.305 2.082 2.585 . 0 0 "[ . 1 . 2]" 4
72 2 33 ASP H 2 34 ALA H . . 2.700 2.249 1.919 2.656 . 0 0 "[ . 1 . 2]" 4
73 1 33 ASP HA 1 47 GLY H . . 5.000 3.187 2.806 3.682 . 0 0 "[ . 1 . 2]" 4
74 2 33 ASP HA 2 47 GLY H . . 5.000 3.306 2.913 3.864 . 0 0 "[ . 1 . 2]" 4
75 1 33 ASP H 1 110 VAL MG1 . . 5.500 4.295 3.693 4.376 . 0 0 "[ . 1 . 2]" 4
76 2 33 ASP H 2 110 VAL MG1 . . 5.500 4.343 4.290 4.443 . 0 0 "[ . 1 . 2]" 4
77 1 33 ASP H 1 110 VAL MG2 . . 5.500 4.352 4.278 4.462 . 0 0 "[ . 1 . 2]" 4
78 2 33 ASP H 2 110 VAL MG2 . . 5.500 4.325 4.246 4.465 . 0 0 "[ . 1 . 2]" 4
79 1 34 ALA MB 1 51 ILE MD . . 4.300 2.289 1.772 2.628 . 0 0 "[ . 1 . 2]" 4
80 2 34 ALA MB 2 51 ILE MD . . 4.300 2.310 1.864 2.638 . 0 0 "[ . 1 . 2]" 4
81 1 34 ALA MB 1 112 MET ME . . 6.000 2.952 1.683 4.158 . 0 0 "[ . 1 . 2]" 4
82 2 34 ALA MB 2 112 MET ME . . 6.000 2.697 1.680 4.095 . 0 0 "[ . 1 . 2]" 4
83 1 34 ALA HA 1 110 VAL MG1 . . 4.200 1.939 1.782 2.061 . 0 0 "[ . 1 . 2]" 4
84 2 34 ALA HA 2 110 VAL MG1 . . 4.200 1.959 1.795 2.221 . 0 0 "[ . 1 . 2]" 4
85 1 34 ALA MB 1 110 VAL HA . . 3.800 1.855 1.806 1.995 . 0 0 "[ . 1 . 2]" 4
86 2 34 ALA MB 2 110 VAL HA . . 3.800 1.864 1.747 1.967 . 0 0 "[ . 1 . 2]" 4
87 1 34 ALA MB 1 109 VAL MG1 . . 6.000 3.597 3.179 4.016 . 0 0 "[ . 1 . 2]" 4
88 2 34 ALA MB 2 109 VAL MG1 . . 6.000 3.585 3.178 3.936 . 0 0 "[ . 1 . 2]" 4
89 1 34 ALA H 1 51 ILE MD . . 5.500 3.091 2.772 3.570 . 0 0 "[ . 1 . 2]" 4
90 2 34 ALA H 2 51 ILE MD . . 5.500 3.219 2.679 4.346 . 0 0 "[ . 1 . 2]" 4
91 1 35 THR HA 1 51 ILE MD . . 5.500 3.169 2.654 3.770 . 0 0 "[ . 1 . 2]" 4
92 2 35 THR HA 2 51 ILE MD . . 5.500 3.145 2.108 4.363 . 0 0 "[ . 1 . 2]" 4
93 1 35 THR HB 1 44 PRO HB3 . . 5.000 4.601 3.916 5.027 0.027 19 0 "[ . 1 . 2]" 4
94 2 35 THR HB 2 44 PRO HB3 . . 5.000 4.684 3.751 5.058 0.058 13 0 "[ . 1 . 2]" 4
95 1 35 THR HB 1 44 PRO HB2 . . 5.000 3.471 2.250 4.416 . 0 0 "[ . 1 . 2]" 4
96 2 35 THR HB 2 44 PRO HB2 . . 5.000 3.576 2.130 4.796 . 0 0 "[ . 1 . 2]" 4
97 1 35 THR MG 1 46 SER HB3 . . 3.200 2.122 1.833 2.438 . 0 0 "[ . 1 . 2]" 4
98 2 35 THR MG 2 46 SER HB3 . . 3.200 2.132 1.864 2.550 . 0 0 "[ . 1 . 2]" 4
99 1 35 THR MG 1 46 SER HB2 . . 3.200 2.084 1.911 2.342 . 0 0 "[ . 1 . 2]" 4
100 2 35 THR MG 2 46 SER HB2 . . 3.200 2.036 1.771 2.460 . 0 0 "[ . 1 . 2]" 4
101 1 35 THR MG 1 47 GLY H . . 5.500 3.635 3.153 4.449 . 0 0 "[ . 1 . 2]" 4
102 2 35 THR MG 2 47 GLY H . . 5.500 3.507 2.871 4.291 . 0 0 "[ . 1 . 2]" 4
103 1 36 VAL MG1 1 38 ASP QB . . 6.300 2.826 2.338 3.405 . 0 0 "[ . 1 . 2]" 4
104 2 36 VAL MG1 2 38 ASP QB . . 6.300 2.969 2.370 3.818 . 0 0 "[ . 1 . 2]" 4
105 1 36 VAL MG1 1 54 PHE QR . . 7.800 2.815 1.764 4.037 . 0 0 "[ . 1 . 2]" 4
106 2 36 VAL MG1 2 54 PHE QR . . 7.800 2.772 1.837 4.378 . 0 0 "[ . 1 . 2]" 4
107 1 36 VAL MG1 1 55 TYR QE . . 5.500 2.582 1.842 3.794 . 0 0 "[ . 1 . 2]" 4
108 2 36 VAL MG1 2 55 TYR QE . . 5.500 2.795 1.817 3.981 . 0 0 "[ . 1 . 2]" 4
109 1 36 VAL MG1 1 37 GLU H . . 3.200 2.267 1.920 2.513 . 0 0 "[ . 1 . 2]" 4
110 2 36 VAL MG1 2 37 GLU H . . 3.200 2.248 1.905 2.538 . 0 0 "[ . 1 . 2]" 4
111 1 36 VAL H 1 36 VAL MG2 . . 3.200 2.341 2.114 2.509 . 0 0 "[ . 1 . 2]" 4
112 2 36 VAL H 2 36 VAL MG2 . . 3.200 2.361 2.053 2.473 . 0 0 "[ . 1 . 2]" 4
113 1 36 VAL MG2 1 55 TYR QE . . 5.500 2.400 1.848 3.421 . 0 0 "[ . 1 . 2]" 4
114 2 36 VAL MG2 2 55 TYR QE . . 5.500 2.486 1.803 3.678 . 0 0 "[ . 1 . 2]" 4
115 1 36 VAL MG2 1 51 ILE HA . . 3.800 2.848 2.710 2.968 . 0 0 "[ . 1 . 2]" 4
116 2 36 VAL MG2 2 51 ILE HA . . 3.800 2.858 2.752 3.041 . 0 0 "[ . 1 . 2]" 4
117 1 36 VAL MG2 1 51 ILE MD . . 3.700 2.070 1.750 2.436 . 0 0 "[ . 1 . 2]" 4
118 2 36 VAL MG2 2 51 ILE MD . . 3.700 2.112 1.731 2.571 . 0 0 "[ . 1 . 2]" 4
119 1 36 VAL MG2 1 112 MET QG . . 4.600 2.549 1.929 3.100 . 0 0 "[ . 1 . 2]" 4
120 2 36 VAL MG2 2 112 MET QG . . 4.600 2.630 1.878 3.164 . 0 0 "[ . 1 . 2]" 4
121 1 38 ASP HA 1 114 ALA MB . . 3.800 2.534 2.048 3.008 . 0 0 "[ . 1 . 2]" 4
122 2 38 ASP HA 2 114 ALA MB . . 3.800 2.564 2.079 2.941 . 0 0 "[ . 1 . 2]" 4
123 1 38 ASP HB3 1 54 PHE QR . . 7.300 3.535 2.034 5.430 . 0 0 "[ . 1 . 2]" 4
124 2 38 ASP HB3 2 54 PHE QR . . 7.300 3.667 1.916 5.835 . 0 0 "[ . 1 . 2]" 4
125 1 39 PRO HB2 1 40 VAL H . . 3.300 2.462 1.579 3.295 . 0 0 "[ . 1 . 2]" 4
126 2 39 PRO HB2 2 40 VAL H . . 3.300 2.459 1.573 3.244 . 0 0 "[ . 1 . 2]" 4
127 1 39 PRO HG2 1 40 VAL H . . 3.300 2.363 2.189 3.479 0.179 6 0 "[ . 1 . 2]" 4
128 2 39 PRO HG2 2 40 VAL H . . 3.300 2.505 2.189 3.494 0.194 17 0 "[ . 1 . 2]" 4
129 1 39 PRO HA 1 114 ALA MB . . 3.800 2.421 1.942 2.952 . 0 0 "[ . 1 . 2]" 4
130 2 39 PRO HA 2 114 ALA MB . . 3.800 2.422 1.967 2.980 . 0 0 "[ . 1 . 2]" 4
131 1 39 PRO HA 1 116 PHE QR . . 7.300 3.752 2.633 4.470 . 0 0 "[ . 1 . 2]" 4
132 2 39 PRO HA 2 116 PHE QR . . 7.300 3.735 2.682 4.793 . 0 0 "[ . 1 . 2]" 4
133 1 39 PRO HB3 1 116 PHE QR . . 7.300 2.758 1.763 3.400 . 0 0 "[ . 1 . 2]" 4
134 2 39 PRO HB3 2 116 PHE QR . . 7.300 2.874 2.274 3.689 . 0 0 "[ . 1 . 2]" 4
135 1 40 VAL HA 1 41 GLY H . . 2.700 2.566 2.275 2.745 0.045 19 0 "[ . 1 . 2]" 4
136 2 40 VAL HA 2 41 GLY H . . 2.700 2.563 2.271 2.785 0.085 8 0 "[ . 1 . 2]" 4
137 1 40 VAL H 1 40 VAL MG2 . . 3.200 2.432 2.150 2.573 . 0 0 "[ . 1 . 2]" 4
138 2 40 VAL H 2 40 VAL MG2 . . 3.200 2.422 2.050 2.565 . 0 0 "[ . 1 . 2]" 4
139 1 40 VAL MG2 1 115 LEU HA . . 5.500 1.949 1.767 2.149 . 0 0 "[ . 1 . 2]" 4
140 2 40 VAL MG2 2 115 LEU HA . . 5.500 2.011 1.764 2.236 . 0 0 "[ . 1 . 2]" 4
141 1 40 VAL MG2 1 115 LEU HG . . 3.800 2.619 1.833 3.032 . 0 0 "[ . 1 . 2]" 4
142 2 40 VAL MG2 2 115 LEU HG . . 3.800 2.839 1.969 3.012 . 0 0 "[ . 1 . 2]" 4
143 1 40 VAL MG2 1 115 LEU MD2 . . 6.000 3.166 1.943 3.774 . 0 0 "[ . 1 . 2]" 4
144 2 40 VAL MG2 2 115 LEU MD2 . . 6.000 3.357 2.601 4.001 . 0 0 "[ . 1 . 2]" 4
145 1 40 VAL MG2 1 116 PHE H . . 5.500 2.240 1.841 2.792 . 0 0 "[ . 1 . 2]" 4
146 2 40 VAL MG2 2 116 PHE H . . 5.500 2.088 1.789 2.696 . 0 0 "[ . 1 . 2]" 4
147 1 40 VAL MG2 1 114 ALA H . . 5.500 4.107 3.160 4.419 . 0 0 "[ . 1 . 2]" 4
148 2 40 VAL MG2 2 114 ALA H . . 5.500 4.109 3.025 4.406 . 0 0 "[ . 1 . 2]" 4
149 1 40 VAL MG1 1 41 GLY H . . 3.200 2.151 1.761 2.552 . 0 0 "[ . 1 . 2]" 4
150 2 40 VAL MG1 2 41 GLY H . . 3.200 2.215 1.772 2.541 . 0 0 "[ . 1 . 2]" 4
151 1 41 GLY H 1 42 SER H . . 2.700 2.535 1.874 2.808 0.108 1 0 "[ . 1 . 2]" 4
152 2 41 GLY H 2 42 SER H . . 2.700 2.442 1.894 2.853 0.153 9 0 "[ . 1 . 2]" 4
153 1 42 SER HA 1 43 GLU H . . 2.700 2.555 2.221 2.792 0.092 8 0 "[ . 1 . 2]" 4
154 2 42 SER HA 2 43 GLU H . . 2.700 2.547 2.216 2.774 0.074 16 0 "[ . 1 . 2]" 4
155 1 43 GLU H 1 44 PRO HD3 . . 2.700 2.252 1.936 2.752 0.052 13 0 "[ . 1 . 2]" 4
156 2 43 GLU H 2 44 PRO HD3 . . 2.700 2.244 1.939 2.773 0.073 4 0 "[ . 1 . 2]" 4
157 1 44 PRO HB2 1 45 ARG H . . 3.300 2.714 2.076 3.318 0.018 5 0 "[ . 1 . 2]" 4
158 2 44 PRO HB2 2 45 ARG H . . 3.300 2.664 2.062 3.309 0.009 9 0 "[ . 1 . 2]" 4
159 1 45 ARG QB 1 50 ALA MB . . 4.600 2.022 1.656 2.951 . 0 0 "[ . 1 . 2]" 4
160 2 45 ARG QB 2 50 ALA MB . . 4.600 2.020 1.676 2.736 . 0 0 "[ . 1 . 2]" 4
161 1 45 ARG HA 1 50 ALA MB . . 5.500 3.293 2.560 4.445 . 0 0 "[ . 1 . 2]" 4
162 2 45 ARG HA 2 50 ALA MB . . 5.500 3.205 2.366 3.983 . 0 0 "[ . 1 . 2]" 4
163 1 46 SER HA 1 51 ILE MD . . 5.500 3.347 2.699 3.915 . 0 0 "[ . 1 . 2]" 4
164 2 46 SER HA 2 51 ILE MD . . 5.500 3.461 2.878 4.175 . 0 0 "[ . 1 . 2]" 4
165 1 46 SER HA 1 51 ILE QG . . 5.800 3.235 2.699 3.780 . 0 0 "[ . 1 . 2]" 4
166 2 46 SER HA 2 51 ILE QG . . 5.800 3.319 2.616 4.010 . 0 0 "[ . 1 . 2]" 4
167 1 46 SER H 1 50 ALA MB . . 3.800 2.859 1.884 3.225 . 0 0 "[ . 1 . 2]" 4
168 2 46 SER H 2 50 ALA MB . . 3.800 2.811 2.067 3.243 . 0 0 "[ . 1 . 2]" 4
169 1 47 GLY H 1 51 ILE MD . . 3.800 2.620 1.964 2.988 . 0 0 "[ . 1 . 2]" 4
170 2 47 GLY H 2 51 ILE MD . . 3.800 2.666 1.923 3.013 . 0 0 "[ . 1 . 2]" 4
171 1 47 GLY H 1 51 ILE QG . . 4.100 3.032 2.733 3.408 . 0 0 "[ . 1 . 2]" 4
172 2 47 GLY H 2 51 ILE QG . . 4.100 3.054 2.450 3.416 . 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 14
_Distance_constraint_stats_list.Viol_count 37
_Distance_constraint_stats_list.Viol_total 12.811
_Distance_constraint_stats_list.Viol_max 0.057
_Distance_constraint_stats_list.Viol_rms 0.0077
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0023
_Distance_constraint_stats_list.Viol_average_violations_only 0.0173
_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 34 ALA 0.020 0.012 19 0 "[ . 1 . 2]"
1 35 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 37 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 40 VAL 0.381 0.042 4 0 "[ . 1 . 2]"
1 110 VAL 0.020 0.012 19 0 "[ . 1 . 2]"
1 111 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 112 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 113 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 114 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 116 PHE 0.381 0.042 4 0 "[ . 1 . 2]"
2 34 ALA 0.055 0.022 8 0 "[ . 1 . 2]"
2 35 THR 0.000 0.000 . 0 "[ . 1 . 2]"
2 36 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
2 37 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
2 38 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
2 40 VAL 0.185 0.057 19 0 "[ . 1 . 2]"
2 110 VAL 0.055 0.022 8 0 "[ . 1 . 2]"
2 111 SER 0.000 0.000 . 0 "[ . 1 . 2]"
2 112 MET 0.000 0.000 . 0 "[ . 1 . 2]"
2 113 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
2 114 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
2 116 PHE 0.185 0.057 19 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 36 VAL HA 1 112 MET H . . 5.000 3.067 2.670 3.471 . 0 0 "[ . 1 . 2]" 5
2 2 36 VAL HA 2 112 MET H . . 5.000 3.022 2.742 3.223 . 0 0 "[ . 1 . 2]" 5
3 1 35 THR H 1 111 SER HA . . 5.000 2.519 1.990 3.169 . 0 0 "[ . 1 . 2]" 5
4 2 35 THR H 2 111 SER HA . . 5.000 2.566 2.013 3.179 . 0 0 "[ . 1 . 2]" 5
5 1 37 GLU H 1 113 ARG HA . . 5.000 2.471 2.028 2.976 . 0 0 "[ . 1 . 2]" 5
6 2 37 GLU H 2 113 ARG HA . . 5.000 2.399 1.948 3.349 . 0 0 "[ . 1 . 2]" 5
7 1 38 ASP HA 1 114 ALA H . . 5.000 2.949 2.355 3.583 . 0 0 "[ . 1 . 2]" 5
8 2 38 ASP HA 2 114 ALA H . . 5.000 3.013 2.397 3.510 . 0 0 "[ . 1 . 2]" 5
9 1 35 THR H 1 112 MET H . . 5.000 3.786 3.139 4.188 . 0 0 "[ . 1 . 2]" 5
10 2 35 THR H 2 112 MET H . . 5.000 3.829 3.284 4.169 . 0 0 "[ . 1 . 2]" 5
11 1 40 VAL H 1 116 PHE H . . 5.000 4.993 4.766 5.042 0.042 4 0 "[ . 1 . 2]" 5
12 2 40 VAL H 2 116 PHE H . . 5.000 4.798 4.109 5.057 0.057 19 0 "[ . 1 . 2]" 5
13 1 34 ALA HA 1 110 VAL HA . . 2.700 2.546 1.981 2.712 0.012 19 0 "[ . 1 . 2]" 5
14 2 34 ALA HA 2 110 VAL HA . . 2.700 2.455 1.986 2.722 0.022 8 0 "[ . 1 . 2]" 5
stop_
save_
save_distance_constraint_statistics_6
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 6
_Distance_constraint_stats_list.Constraint_count 539
_Distance_constraint_stats_list.Viol_count 448
_Distance_constraint_stats_list.Viol_total 227.244
_Distance_constraint_stats_list.Viol_max 0.231
_Distance_constraint_stats_list.Viol_rms 0.0082
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0011
_Distance_constraint_stats_list.Viol_average_violations_only 0.0254
_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 40 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 41 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 62 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 63 LEU 0.101 0.021 13 0 "[ . 1 . 2]"
1 64 ALA 0.192 0.056 10 0 "[ . 1 . 2]"
1 65 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 66 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 67 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 68 THR 0.061 0.040 12 0 "[ . 1 . 2]"
1 69 GLN 1.431 0.200 2 0 "[ . 1 . 2]"
1 70 GLU 0.207 0.068 9 0 "[ . 1 . 2]"
1 71 VAL 0.207 0.068 9 0 "[ . 1 . 2]"
1 72 ARG 0.191 0.036 12 0 "[ . 1 . 2]"
1 73 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 74 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 75 ALA 0.174 0.057 3 0 "[ . 1 . 2]"
1 76 ASN 0.174 0.057 3 0 "[ . 1 . 2]"
1 77 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 78 ALA 0.014 0.008 7 0 "[ . 1 . 2]"
1 79 ALA 0.191 0.036 12 0 "[ . 1 . 2]"
1 80 PHE 0.005 0.005 11 0 "[ . 1 . 2]"
1 81 ALA 1.389 0.200 2 0 "[ . 1 . 2]"
1 82 PHE 0.238 0.047 2 0 "[ . 1 . 2]"
1 83 THR 0.155 0.047 2 0 "[ . 1 . 2]"
1 84 VAL 0.017 0.017 12 0 "[ . 1 . 2]"
1 85 SER 0.101 0.056 10 0 "[ . 1 . 2]"
1 86 PHE 0.178 0.034 5 0 "[ . 1 . 2]"
1 87 GLU 0.011 0.010 15 0 "[ . 1 . 2]"
1 88 TYR 0.181 0.046 14 0 "[ . 1 . 2]"
1 89 GLN 0.256 0.074 13 0 "[ . 1 . 2]"
1 90 GLY 0.125 0.074 13 0 "[ . 1 . 2]"
1 91 ARG 0.087 0.021 5 0 "[ . 1 . 2]"
1 92 LYS 0.037 0.014 12 0 "[ . 1 . 2]"
1 93 THR 0.178 0.034 5 0 "[ . 1 . 2]"
1 94 VAL 0.074 0.033 10 0 "[ . 1 . 2]"
1 95 VAL 0.017 0.017 12 0 "[ . 1 . 2]"
1 96 ALA 0.047 0.029 13 0 "[ . 1 . 2]"
1 97 PRO 0.414 0.086 9 0 "[ . 1 . 2]"
1 98 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 99 ASP 0.063 0.039 12 0 "[ . 1 . 2]"
1 100 HIS 0.150 0.024 4 0 "[ . 1 . 2]"
1 101 PHE 0.032 0.017 13 0 "[ . 1 . 2]"
1 102 ARG 0.028 0.015 19 0 "[ . 1 . 2]"
1 103 PHE 0.567 0.115 17 0 "[ . 1 . 2]"
1 104 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 108 LYS 0.708 0.190 15 0 "[ . 1 . 2]"
1 109 VAL 0.711 0.190 15 0 "[ . 1 . 2]"
1 110 VAL 0.595 0.115 17 0 "[ . 1 . 2]"
1 111 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 112 MET 0.017 0.017 13 0 "[ . 1 . 2]"
1 113 ARG 0.150 0.024 4 0 "[ . 1 . 2]"
1 114 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 115 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 116 PHE 0.535 0.086 9 0 "[ . 1 . 2]"
1 117 GLY 0.420 0.092 9 0 "[ . 1 . 2]"
1 118 GLU 0.282 0.071 10 0 "[ . 1 . 2]"
1 119 LYS 0.183 0.092 9 0 "[ . 1 . 2]"
1 120 ASN 0.108 0.035 13 0 "[ . 1 . 2]"
1 121 ILE 0.209 0.071 10 0 "[ . 1 . 2]"
1 122 HIS 0.194 0.035 13 0 "[ . 1 . 2]"
1 123 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 124 GLY 0.020 0.009 9 0 "[ . 1 . 2]"
1 125 ALA 0.020 0.009 9 0 "[ . 1 . 2]"
2 40 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
2 41 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
2 62 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
2 63 LEU 0.150 0.039 14 0 "[ . 1 . 2]"
2 64 ALA 0.040 0.011 20 0 "[ . 1 . 2]"
2 65 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
2 66 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
2 67 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
2 68 THR 0.042 0.042 11 0 "[ . 1 . 2]"
2 69 GLN 1.146 0.125 13 0 "[ . 1 . 2]"
2 70 GLU 0.175 0.076 19 0 "[ . 1 . 2]"
2 71 VAL 0.175 0.076 19 0 "[ . 1 . 2]"
2 72 ARG 0.213 0.059 2 0 "[ . 1 . 2]"
2 73 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
2 74 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
2 75 ALA 0.183 0.074 11 0 "[ . 1 . 2]"
2 76 ASN 0.183 0.074 11 0 "[ . 1 . 2]"
2 77 GLU 0.001 0.001 12 0 "[ . 1 . 2]"
2 78 ALA 0.254 0.231 11 0 "[ . 1 . 2]"
2 79 ALA 0.213 0.059 2 0 "[ . 1 . 2]"
2 80 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
2 81 ALA 1.132 0.125 13 0 "[ . 1 . 2]"
2 82 PHE 0.408 0.096 13 0 "[ . 1 . 2]"
2 83 THR 0.277 0.096 13 0 "[ . 1 . 2]"
2 84 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
2 85 SER 0.028 0.020 10 0 "[ . 1 . 2]"
2 86 PHE 0.189 0.032 16 0 "[ . 1 . 2]"
2 87 GLU 0.110 0.039 14 0 "[ . 1 . 2]"
2 88 TYR 0.017 0.017 16 0 "[ . 1 . 2]"
2 89 GLN 0.066 0.030 11 0 "[ . 1 . 2]"
2 90 GLY 0.050 0.030 11 0 "[ . 1 . 2]"
2 91 ARG 0.047 0.015 10 0 "[ . 1 . 2]"
2 92 LYS 0.046 0.015 10 0 "[ . 1 . 2]"
2 93 THR 0.189 0.032 16 0 "[ . 1 . 2]"
2 94 VAL 0.182 0.086 19 0 "[ . 1 . 2]"
2 95 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
2 96 ALA 0.043 0.023 1 0 "[ . 1 . 2]"
2 97 PRO 0.516 0.077 4 0 "[ . 1 . 2]"
2 98 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
2 99 ASP 0.120 0.084 11 0 "[ . 1 . 2]"
2 100 HIS 0.354 0.052 1 0 "[ . 1 . 2]"
2 101 PHE 0.065 0.021 6 0 "[ . 1 . 2]"
2 102 ARG 0.052 0.036 6 0 "[ . 1 . 2]"
2 103 PHE 0.527 0.231 11 0 "[ . 1 . 2]"
2 104 ASN 0.018 0.018 3 0 "[ . 1 . 2]"
2 108 LYS 0.299 0.116 2 0 "[ . 1 . 2]"
2 109 VAL 0.356 0.116 2 0 "[ . 1 . 2]"
2 110 VAL 0.329 0.036 6 0 "[ . 1 . 2]"
2 111 SER 0.000 0.000 . 0 "[ . 1 . 2]"
2 112 MET 0.012 0.012 10 0 "[ . 1 . 2]"
2 113 ARG 0.371 0.052 1 0 "[ . 1 . 2]"
2 114 ALA 0.017 0.017 12 0 "[ . 1 . 2]"
2 115 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
2 116 PHE 0.747 0.094 4 0 "[ . 1 . 2]"
2 117 GLY 0.392 0.116 19 0 "[ . 1 . 2]"
2 118 GLU 0.186 0.129 19 0 "[ . 1 . 2]"
2 119 LYS 0.142 0.116 19 0 "[ . 1 . 2]"
2 120 ASN 0.215 0.048 7 0 "[ . 1 . 2]"
2 121 ILE 0.306 0.129 19 0 "[ . 1 . 2]"
2 122 HIS 0.350 0.086 19 0 "[ . 1 . 2]"
2 123 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
2 124 GLY 0.007 0.004 7 0 "[ . 1 . 2]"
2 125 ALA 0.007 0.004 7 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 62 PRO HA 1 63 LEU H . . 2.700 2.477 2.152 2.640 . 0 0 "[ . 1 . 2]" 6
2 2 62 PRO HA 2 63 LEU H . . 2.700 2.483 2.151 2.627 . 0 0 "[ . 1 . 2]" 6
3 1 63 LEU HA 1 64 ALA H . . 2.700 2.562 2.210 2.721 0.021 13 0 "[ . 1 . 2]" 6
4 2 63 LEU HA 2 64 ALA H . . 2.700 2.588 2.210 2.711 0.011 20 0 "[ . 1 . 2]" 6
5 1 64 ALA HA 1 65 VAL H . . 2.700 2.257 2.187 2.555 . 0 0 "[ . 1 . 2]" 6
6 2 64 ALA HA 2 65 VAL H . . 2.700 2.327 2.187 2.585 . 0 0 "[ . 1 . 2]" 6
7 1 65 VAL HA 1 66 GLU H . . 2.700 2.278 2.242 2.378 . 0 0 "[ . 1 . 2]" 6
8 2 65 VAL HA 2 66 GLU H . . 2.700 2.278 2.243 2.365 . 0 0 "[ . 1 . 2]" 6
9 1 66 GLU HA 1 67 LEU H . . 2.700 2.310 2.209 2.459 . 0 0 "[ . 1 . 2]" 6
10 2 66 GLU HA 2 67 LEU H . . 2.700 2.280 2.201 2.364 . 0 0 "[ . 1 . 2]" 6
11 1 67 LEU HA 1 68 THR H . . 2.700 2.410 2.175 2.651 . 0 0 "[ . 1 . 2]" 6
12 2 67 LEU HA 2 68 THR H . . 2.700 2.369 2.176 2.687 . 0 0 "[ . 1 . 2]" 6
13 1 70 GLU HA 1 71 VAL H . . 2.700 2.590 2.205 2.768 0.068 9 0 "[ . 1 . 2]" 6
14 2 70 GLU HA 2 71 VAL H . . 2.700 2.569 2.202 2.776 0.076 19 0 "[ . 1 . 2]" 6
15 1 71 VAL HA 1 72 ARG H . . 2.700 2.251 2.182 2.572 . 0 0 "[ . 1 . 2]" 6
16 2 71 VAL HA 2 72 ARG H . . 2.700 2.254 2.183 2.495 . 0 0 "[ . 1 . 2]" 6
17 1 72 ARG HA 1 73 ALA H . . 2.700 2.334 2.236 2.450 . 0 0 "[ . 1 . 2]" 6
18 2 72 ARG HA 2 73 ALA H . . 2.700 2.356 2.252 2.616 . 0 0 "[ . 1 . 2]" 6
19 1 73 ALA HA 1 74 VAL H . . 2.700 2.216 2.187 2.401 . 0 0 "[ . 1 . 2]" 6
20 2 73 ALA HA 2 74 VAL H . . 2.700 2.244 2.186 2.391 . 0 0 "[ . 1 . 2]" 6
21 1 74 VAL HA 1 75 ALA H . . 3.300 2.774 2.320 3.241 . 0 0 "[ . 1 . 2]" 6
22 2 74 VAL HA 2 75 ALA H . . 3.300 2.713 2.301 3.157 . 0 0 "[ . 1 . 2]" 6
23 1 77 GLU HA 1 78 ALA H . . 2.700 2.393 2.203 2.564 . 0 0 "[ . 1 . 2]" 6
24 2 77 GLU HA 2 78 ALA H . . 2.700 2.401 2.210 2.566 . 0 0 "[ . 1 . 2]" 6
25 1 78 ALA HA 1 79 ALA H . . 2.700 2.246 2.189 2.322 . 0 0 "[ . 1 . 2]" 6
26 2 78 ALA HA 2 79 ALA H . . 2.700 2.235 2.187 2.311 . 0 0 "[ . 1 . 2]" 6
27 1 79 ALA HA 1 80 PHE H . . 2.700 2.247 2.188 2.492 . 0 0 "[ . 1 . 2]" 6
28 2 79 ALA HA 2 80 PHE H . . 2.700 2.238 2.188 2.326 . 0 0 "[ . 1 . 2]" 6
29 1 80 PHE HA 1 81 ALA H . . 2.700 2.430 2.200 2.652 . 0 0 "[ . 1 . 2]" 6
30 2 80 PHE HA 2 81 ALA H . . 2.700 2.437 2.277 2.567 . 0 0 "[ . 1 . 2]" 6
31 1 81 ALA HA 1 82 PHE H . . 2.700 2.205 2.187 2.249 . 0 0 "[ . 1 . 2]" 6
32 2 81 ALA HA 2 82 PHE H . . 2.700 2.209 2.186 2.241 . 0 0 "[ . 1 . 2]" 6
33 1 82 PHE HA 1 83 THR H . . 2.700 2.578 2.434 2.747 0.047 2 0 "[ . 1 . 2]" 6
34 2 82 PHE HA 2 83 THR H . . 2.700 2.564 2.449 2.796 0.096 13 0 "[ . 1 . 2]" 6
35 1 83 THR HA 1 84 VAL H . . 2.700 2.381 2.150 2.481 . 0 0 "[ . 1 . 2]" 6
36 2 83 THR HA 2 84 VAL H . . 2.700 2.395 2.153 2.515 . 0 0 "[ . 1 . 2]" 6
37 1 84 VAL HA 1 85 SER H . . 2.700 2.194 2.182 2.231 . 0 0 "[ . 1 . 2]" 6
38 2 84 VAL HA 2 85 SER H . . 2.700 2.209 2.182 2.508 . 0 0 "[ . 1 . 2]" 6
39 1 85 SER HA 1 86 PHE H . . 2.700 2.234 2.215 2.305 . 0 0 "[ . 1 . 2]" 6
40 2 85 SER HA 2 86 PHE H . . 2.700 2.231 2.214 2.383 . 0 0 "[ . 1 . 2]" 6
41 1 86 PHE HA 1 87 GLU H . . 2.700 2.327 2.198 2.539 . 0 0 "[ . 1 . 2]" 6
42 2 86 PHE HA 2 87 GLU H . . 2.700 2.321 2.229 2.569 . 0 0 "[ . 1 . 2]" 6
43 1 87 GLU HA 1 88 TYR H . . 2.700 2.236 2.204 2.300 . 0 0 "[ . 1 . 2]" 6
44 2 87 GLU HA 2 88 TYR H . . 2.700 2.269 2.202 2.456 . 0 0 "[ . 1 . 2]" 6
45 1 88 TYR HA 1 89 GLN H . . 2.700 2.477 2.198 2.746 0.046 14 0 "[ . 1 . 2]" 6
46 2 88 TYR HA 2 89 GLN H . . 2.700 2.443 2.209 2.717 0.017 16 0 "[ . 1 . 2]" 6
47 1 89 GLN HA 1 90 GLY H . . 2.700 2.504 2.277 2.774 0.074 13 0 "[ . 1 . 2]" 6
48 2 89 GLN HA 2 90 GLY H . . 2.700 2.513 2.273 2.730 0.030 11 0 "[ . 1 . 2]" 6
49 1 91 ARG HA 1 92 LYS H . . 2.700 2.475 2.225 2.714 0.014 12 0 "[ . 1 . 2]" 6
50 2 91 ARG HA 2 92 LYS H . . 2.700 2.534 2.226 2.715 0.015 10 0 "[ . 1 . 2]" 6
51 1 92 LYS HA 1 93 THR H . . 2.700 2.270 2.177 2.422 . 0 0 "[ . 1 . 2]" 6
52 2 92 LYS HA 2 93 THR H . . 2.700 2.311 2.177 2.414 . 0 0 "[ . 1 . 2]" 6
53 1 93 THR HA 1 94 VAL H . . 2.700 2.309 2.240 2.514 . 0 0 "[ . 1 . 2]" 6
54 2 93 THR HA 2 94 VAL H . . 2.700 2.312 2.245 2.469 . 0 0 "[ . 1 . 2]" 6
55 1 94 VAL HA 1 95 VAL H . . 2.700 2.198 2.182 2.294 . 0 0 "[ . 1 . 2]" 6
56 2 94 VAL HA 2 95 VAL H . . 2.700 2.205 2.181 2.327 . 0 0 "[ . 1 . 2]" 6
57 1 95 VAL HA 1 96 ALA H . . 2.700 2.443 2.274 2.541 . 0 0 "[ . 1 . 2]" 6
58 2 95 VAL HA 2 96 ALA H . . 2.700 2.457 2.279 2.540 . 0 0 "[ . 1 . 2]" 6
59 1 97 PRO HA 1 98 ILE H . . 2.700 2.400 2.323 2.464 . 0 0 "[ . 1 . 2]" 6
60 2 97 PRO HA 2 98 ILE H . . 2.700 2.396 2.349 2.455 . 0 0 "[ . 1 . 2]" 6
61 1 98 ILE HA 1 99 ASP H . . 2.700 2.202 2.176 2.404 . 0 0 "[ . 1 . 2]" 6
62 2 98 ILE HA 2 99 ASP H . . 2.700 2.181 2.176 2.215 . 0 0 "[ . 1 . 2]" 6
63 1 99 ASP HA 1 100 HIS H . . 2.700 2.299 2.254 2.387 . 0 0 "[ . 1 . 2]" 6
64 2 99 ASP HA 2 100 HIS H . . 2.700 2.311 2.253 2.406 . 0 0 "[ . 1 . 2]" 6
65 1 100 HIS HA 1 101 PHE H . . 2.700 2.226 2.186 2.342 . 0 0 "[ . 1 . 2]" 6
66 2 100 HIS HA 2 101 PHE H . . 2.700 2.211 2.185 2.259 . 0 0 "[ . 1 . 2]" 6
67 1 101 PHE HA 1 102 ARG H . . 2.700 2.339 2.227 2.623 . 0 0 "[ . 1 . 2]" 6
68 2 101 PHE HA 2 102 ARG H . . 2.700 2.338 2.212 2.532 . 0 0 "[ . 1 . 2]" 6
69 1 102 ARG HA 1 103 PHE H . . 2.700 2.289 2.226 2.693 . 0 0 "[ . 1 . 2]" 6
70 2 102 ARG HA 2 103 PHE H . . 2.700 2.275 2.225 2.473 . 0 0 "[ . 1 . 2]" 6
71 1 103 PHE HA 1 104 ASN H . . 2.700 2.298 2.192 2.535 . 0 0 "[ . 1 . 2]" 6
72 2 103 PHE HA 2 104 ASN H . . 2.700 2.359 2.193 2.718 0.018 3 0 "[ . 1 . 2]" 6
73 1 108 LYS HA 1 109 VAL H . . 2.700 2.524 2.177 2.890 0.190 15 0 "[ . 1 . 2]" 6
74 2 108 LYS HA 2 109 VAL H . . 2.700 2.472 2.176 2.816 0.116 2 0 "[ . 1 . 2]" 6
75 1 109 VAL HA 1 110 VAL H . . 2.700 2.185 2.182 2.204 . 0 0 "[ . 1 . 2]" 6
76 2 109 VAL HA 2 110 VAL H . . 2.700 2.187 2.181 2.216 . 0 0 "[ . 1 . 2]" 6
77 1 110 VAL H 1 111 SER H . . 2.700 1.992 1.857 2.643 . 0 0 "[ . 1 . 2]" 6
78 2 110 VAL H 2 111 SER H . . 2.700 1.909 1.840 2.554 . 0 0 "[ . 1 . 2]" 6
79 1 111 SER HA 1 112 MET H . . 2.700 2.269 2.216 2.475 . 0 0 "[ . 1 . 2]" 6
80 2 111 SER HA 2 112 MET H . . 2.700 2.261 2.215 2.386 . 0 0 "[ . 1 . 2]" 6
81 1 112 MET HA 1 113 ARG H . . 2.700 2.251 2.202 2.367 . 0 0 "[ . 1 . 2]" 6
82 2 112 MET HA 2 113 ARG H . . 2.700 2.279 2.203 2.393 . 0 0 "[ . 1 . 2]" 6
83 1 113 ARG HA 1 114 ALA H . . 2.700 2.410 2.230 2.691 . 0 0 "[ . 1 . 2]" 6
84 2 113 ARG HA 2 114 ALA H . . 2.700 2.466 2.230 2.717 0.017 12 0 "[ . 1 . 2]" 6
85 1 114 ALA HA 1 115 LEU H . . 2.700 2.442 2.186 2.644 . 0 0 "[ . 1 . 2]" 6
86 2 114 ALA HA 2 115 LEU H . . 2.700 2.454 2.186 2.656 . 0 0 "[ . 1 . 2]" 6
87 1 115 LEU HA 1 116 PHE H . . 2.700 2.207 2.177 2.346 . 0 0 "[ . 1 . 2]" 6
88 2 115 LEU HA 2 116 PHE H . . 2.700 2.201 2.176 2.260 . 0 0 "[ . 1 . 2]" 6
89 1 116 PHE HA 1 117 GLY H . . 2.700 2.435 2.198 2.748 0.048 19 0 "[ . 1 . 2]" 6
90 2 116 PHE HA 2 117 GLY H . . 2.700 2.541 2.195 2.794 0.094 4 0 "[ . 1 . 2]" 6
91 1 65 VAL HA 1 84 VAL HA . . 2.700 2.161 1.996 2.497 . 0 0 "[ . 1 . 2]" 6
92 2 65 VAL HA 2 84 VAL HA . . 2.700 2.125 1.970 2.411 . 0 0 "[ . 1 . 2]" 6
93 1 67 LEU HA 1 82 PHE HA . . 3.300 2.402 1.901 3.172 . 0 0 "[ . 1 . 2]" 6
94 2 67 LEU HA 2 82 PHE HA . . 3.300 2.419 1.982 3.190 . 0 0 "[ . 1 . 2]" 6
95 1 71 VAL HA 1 80 PHE HA . . 3.300 2.055 1.881 2.263 . 0 0 "[ . 1 . 2]" 6
96 2 71 VAL HA 2 80 PHE HA . . 3.300 2.054 1.886 2.182 . 0 0 "[ . 1 . 2]" 6
97 1 73 ALA HA 1 78 ALA HA . . 3.300 1.916 1.872 1.960 . 0 0 "[ . 1 . 2]" 6
98 2 73 ALA HA 2 78 ALA HA . . 3.300 1.913 1.853 1.986 . 0 0 "[ . 1 . 2]" 6
99 1 77 GLU HA 1 102 ARG HA . . 2.700 2.334 1.965 2.617 . 0 0 "[ . 1 . 2]" 6
100 2 77 GLU HA 2 102 ARG HA . . 2.700 2.307 1.971 2.701 0.001 12 0 "[ . 1 . 2]" 6
101 1 79 ALA HA 1 100 HIS HA . . 2.700 2.005 1.952 2.166 . 0 0 "[ . 1 . 2]" 6
102 2 79 ALA HA 2 100 HIS HA . . 2.700 1.979 1.919 2.042 . 0 0 "[ . 1 . 2]" 6
103 1 81 ALA HA 1 98 ILE HA . . 2.700 2.037 1.961 2.249 . 0 0 "[ . 1 . 2]" 6
104 2 81 ALA HA 2 98 ILE HA . . 2.700 2.027 1.940 2.182 . 0 0 "[ . 1 . 2]" 6
105 1 83 THR HA 1 96 ALA HA . . 2.700 1.947 1.883 2.072 . 0 0 "[ . 1 . 2]" 6
106 2 83 THR HA 2 96 ALA HA . . 2.700 1.928 1.851 2.024 . 0 0 "[ . 1 . 2]" 6
107 1 85 SER HA 1 94 VAL HA . . 2.700 2.405 1.846 2.699 . 0 0 "[ . 1 . 2]" 6
108 2 85 SER HA 2 94 VAL HA . . 2.700 2.446 1.952 2.720 0.020 10 0 "[ . 1 . 2]" 6
109 1 87 GLU HA 1 92 LYS HA . . 2.700 2.170 1.965 2.495 . 0 0 "[ . 1 . 2]" 6
110 2 87 GLU HA 2 92 LYS HA . . 2.700 2.074 1.972 2.519 . 0 0 "[ . 1 . 2]" 6
111 1 97 PRO HA 1 116 PHE HA . . 2.700 2.697 2.543 2.786 0.086 9 0 "[ . 1 . 2]" 6
112 2 97 PRO HA 2 116 PHE HA . . 2.700 2.720 2.626 2.777 0.077 4 0 "[ . 1 . 2]" 6
113 1 99 ASP HA 1 114 ALA HA . . 2.700 2.227 1.983 2.645 . 0 0 "[ . 1 . 2]" 6
114 2 99 ASP HA 2 114 ALA HA . . 2.700 2.256 2.035 2.542 . 0 0 "[ . 1 . 2]" 6
115 1 101 PHE HA 1 112 MET HA . . 2.700 2.364 1.977 2.717 0.017 13 0 "[ . 1 . 2]" 6
116 2 101 PHE HA 2 112 MET HA . . 2.700 2.288 1.970 2.712 0.012 10 0 "[ . 1 . 2]" 6
117 1 103 PHE HA 1 109 VAL HA . . 2.700 2.011 1.835 2.220 . 0 0 "[ . 1 . 2]" 6
118 2 103 PHE HA 2 109 VAL HA . . 2.700 2.150 1.941 2.556 . 0 0 "[ . 1 . 2]" 6
119 1 93 THR HA 1 123 ALA HA . . 2.700 2.077 1.966 2.538 . 0 0 "[ . 1 . 2]" 6
120 2 93 THR HA 2 123 ALA HA . . 2.700 2.041 1.949 2.348 . 0 0 "[ . 1 . 2]" 6
121 1 95 VAL HA 1 121 ILE HA . . 2.700 2.025 1.945 2.190 . 0 0 "[ . 1 . 2]" 6
122 2 95 VAL HA 2 121 ILE HA . . 2.700 2.036 1.944 2.373 . 0 0 "[ . 1 . 2]" 6
123 1 63 LEU HA 1 87 GLU H . . 5.000 4.356 2.782 5.010 0.010 15 0 "[ . 1 . 2]" 6
124 2 63 LEU HA 2 87 GLU H . . 5.000 4.537 2.401 5.039 0.039 14 0 "[ . 1 . 2]" 6
125 1 65 VAL HA 1 85 SER H . . 5.000 3.376 2.953 3.796 . 0 0 "[ . 1 . 2]" 6
126 2 65 VAL HA 2 85 SER H . . 5.000 3.361 2.933 4.043 . 0 0 "[ . 1 . 2]" 6
127 1 67 LEU HA 1 83 THR H . . 5.000 3.153 2.778 3.662 . 0 0 "[ . 1 . 2]" 6
128 2 67 LEU HA 2 83 THR H . . 5.000 3.183 2.516 3.726 . 0 0 "[ . 1 . 2]" 6
129 1 71 VAL HA 1 81 ALA H . . 5.000 3.602 3.213 4.044 . 0 0 "[ . 1 . 2]" 6
130 2 71 VAL HA 2 81 ALA H . . 5.000 3.624 3.204 4.093 . 0 0 "[ . 1 . 2]" 6
131 1 73 ALA HA 1 79 ALA H . . 5.000 3.338 2.963 3.626 . 0 0 "[ . 1 . 2]" 6
132 2 73 ALA HA 2 79 ALA H . . 5.000 3.311 2.942 3.599 . 0 0 "[ . 1 . 2]" 6
133 1 77 GLU HA 1 103 PHE H . . 5.000 3.179 2.697 3.706 . 0 0 "[ . 1 . 2]" 6
134 2 77 GLU HA 2 103 PHE H . . 5.000 3.222 2.454 3.776 . 0 0 "[ . 1 . 2]" 6
135 1 74 VAL H 1 78 ALA HA . . 5.000 3.366 3.049 3.564 . 0 0 "[ . 1 . 2]" 6
136 2 74 VAL H 2 78 ALA HA . . 5.000 3.374 3.081 3.689 . 0 0 "[ . 1 . 2]" 6
137 1 79 ALA HA 1 101 PHE H . . 5.000 3.468 3.109 3.726 . 0 0 "[ . 1 . 2]" 6
138 2 79 ALA HA 2 101 PHE H . . 5.000 3.496 2.910 3.678 . 0 0 "[ . 1 . 2]" 6
139 1 72 ARG H 1 80 PHE HA . . 5.000 2.751 2.359 3.662 . 0 0 "[ . 1 . 2]" 6
140 2 72 ARG H 2 80 PHE HA . . 5.000 2.730 2.392 3.314 . 0 0 "[ . 1 . 2]" 6
141 1 81 ALA HA 1 99 ASP H . . 5.000 3.213 3.001 3.566 . 0 0 "[ . 1 . 2]" 6
142 2 81 ALA HA 2 99 ASP H . . 5.000 3.124 2.869 3.429 . 0 0 "[ . 1 . 2]" 6
143 1 68 THR H 1 82 PHE HA . . 5.000 2.904 2.107 3.548 . 0 0 "[ . 1 . 2]" 6
144 2 68 THR H 2 82 PHE HA . . 5.000 2.810 1.995 3.656 . 0 0 "[ . 1 . 2]" 6
145 1 66 GLU H 1 84 VAL HA . . 5.000 3.638 3.060 3.879 . 0 0 "[ . 1 . 2]" 6
146 2 66 GLU H 2 84 VAL HA . . 5.000 3.642 3.373 3.844 . 0 0 "[ . 1 . 2]" 6
147 1 85 SER HA 1 95 VAL H . . 5.000 3.760 3.148 4.045 . 0 0 "[ . 1 . 2]" 6
148 2 85 SER HA 2 95 VAL H . . 5.000 3.812 3.083 4.079 . 0 0 "[ . 1 . 2]" 6
149 1 64 ALA H 1 86 PHE HA . . 5.000 4.049 3.572 4.447 . 0 0 "[ . 1 . 2]" 6
150 2 64 ALA H 2 86 PHE HA . . 5.000 4.150 3.763 4.452 . 0 0 "[ . 1 . 2]" 6
151 1 87 GLU HA 1 93 THR H . . 5.000 3.178 2.746 3.803 . 0 0 "[ . 1 . 2]" 6
152 2 87 GLU HA 2 93 THR H . . 5.000 3.032 2.551 3.693 . 0 0 "[ . 1 . 2]" 6
153 1 88 TYR H 1 92 LYS HA . . 5.000 3.385 2.798 3.967 . 0 0 "[ . 1 . 2]" 6
154 2 88 TYR H 2 92 LYS HA . . 5.000 3.361 3.002 4.019 . 0 0 "[ . 1 . 2]" 6
155 1 86 PHE H 1 94 VAL HA . . 5.000 3.338 3.020 3.685 . 0 0 "[ . 1 . 2]" 6
156 2 86 PHE H 2 94 VAL HA . . 5.000 3.273 2.984 3.672 . 0 0 "[ . 1 . 2]" 6
157 1 84 VAL H 1 96 ALA HA . . 5.000 3.547 3.087 3.756 . 0 0 "[ . 1 . 2]" 6
158 2 84 VAL H 2 96 ALA HA . . 5.000 3.572 3.164 3.808 . 0 0 "[ . 1 . 2]" 6
159 1 82 PHE H 1 98 ILE HA . . 5.000 3.095 2.946 3.299 . 0 0 "[ . 1 . 2]" 6
160 2 82 PHE H 2 98 ILE HA . . 5.000 3.102 2.887 3.240 . 0 0 "[ . 1 . 2]" 6
161 1 99 ASP HA 1 115 LEU H . . 5.000 3.613 3.205 3.950 . 0 0 "[ . 1 . 2]" 6
162 2 99 ASP HA 2 115 LEU H . . 5.000 3.590 3.086 3.969 . 0 0 "[ . 1 . 2]" 6
163 1 80 PHE H 1 100 HIS HA . . 5.000 3.588 3.410 3.983 . 0 0 "[ . 1 . 2]" 6
164 2 80 PHE H 2 100 HIS HA . . 5.000 3.539 3.420 3.759 . 0 0 "[ . 1 . 2]" 6
165 1 101 PHE HA 1 113 ARG H . . 5.000 3.367 2.719 3.894 . 0 0 "[ . 1 . 2]" 6
166 2 101 PHE HA 2 113 ARG H . . 5.000 3.188 2.658 3.670 . 0 0 "[ . 1 . 2]" 6
167 1 78 ALA H 1 102 ARG HA . . 5.000 3.713 3.252 3.952 . 0 0 "[ . 1 . 2]" 6
168 2 78 ALA H 2 102 ARG HA . . 5.000 3.632 3.213 3.923 . 0 0 "[ . 1 . 2]" 6
169 1 103 PHE HA 1 110 VAL H . . 3.300 3.296 2.997 3.415 0.115 17 0 "[ . 1 . 2]" 6
170 2 103 PHE HA 2 110 VAL H . . 3.300 3.290 3.133 3.332 0.032 20 0 "[ . 1 . 2]" 6
171 1 104 ASN H 1 109 VAL HA . . 5.000 3.160 2.333 3.866 . 0 0 "[ . 1 . 2]" 6
172 2 104 ASN H 2 109 VAL HA . . 5.000 3.348 2.203 3.962 . 0 0 "[ . 1 . 2]" 6
173 1 100 HIS H 1 114 ALA HA . . 5.000 2.851 2.538 3.305 . 0 0 "[ . 1 . 2]" 6
174 2 100 HIS H 2 114 ALA HA . . 5.000 2.820 2.435 3.287 . 0 0 "[ . 1 . 2]" 6
175 1 96 ALA H 1 121 ILE HA . . 5.000 3.644 2.727 3.901 . 0 0 "[ . 1 . 2]" 6
176 2 96 ALA H 2 121 ILE HA . . 5.000 3.710 3.109 3.902 . 0 0 "[ . 1 . 2]" 6
177 1 95 VAL HA 1 122 HIS H . . 5.000 3.330 2.874 3.572 . 0 0 "[ . 1 . 2]" 6
178 2 95 VAL HA 2 122 HIS H . . 5.000 3.331 2.922 3.755 . 0 0 "[ . 1 . 2]" 6
179 1 94 VAL H 1 123 ALA HA . . 5.000 3.457 2.897 3.956 . 0 0 "[ . 1 . 2]" 6
180 2 94 VAL H 2 123 ALA HA . . 5.000 3.444 3.019 3.758 . 0 0 "[ . 1 . 2]" 6
181 1 93 THR HA 1 124 GLY H . . 5.000 3.344 2.291 3.746 . 0 0 "[ . 1 . 2]" 6
182 2 93 THR HA 2 124 GLY H . . 5.000 3.327 2.362 3.790 . 0 0 "[ . 1 . 2]" 6
183 1 64 ALA H 1 85 SER H . . 3.300 2.693 2.093 3.356 0.056 10 0 "[ . 1 . 2]" 6
184 2 64 ALA H 2 85 SER H . . 3.300 2.602 2.149 3.070 . 0 0 "[ . 1 . 2]" 6
185 1 66 GLU H 1 83 THR H . . 5.000 2.960 2.397 3.508 . 0 0 "[ . 1 . 2]" 6
186 2 66 GLU H 2 83 THR H . . 5.000 2.973 2.552 3.449 . 0 0 "[ . 1 . 2]" 6
187 1 68 THR H 1 83 THR H . . 5.000 4.365 3.508 5.040 0.040 12 0 "[ . 1 . 2]" 6
188 2 68 THR H 2 83 THR H . . 5.000 4.251 3.325 5.042 0.042 11 0 "[ . 1 . 2]" 6
189 1 72 ARG H 1 79 ALA H . . 3.300 3.211 2.925 3.336 0.036 12 0 "[ . 1 . 2]" 6
190 2 72 ARG H 2 79 ALA H . . 3.300 3.248 2.970 3.359 0.059 2 0 "[ . 1 . 2]" 6
191 1 74 VAL H 1 77 GLU H . . 3.300 2.746 2.543 3.132 . 0 0 "[ . 1 . 2]" 6
192 2 74 VAL H 2 77 GLU H . . 3.300 2.748 2.498 3.204 . 0 0 "[ . 1 . 2]" 6
193 1 78 ALA H 1 101 PHE H . . 3.300 2.992 2.604 3.308 0.008 7 0 "[ . 1 . 2]" 6
194 2 78 ALA H 2 101 PHE H . . 3.300 2.992 2.524 3.309 0.009 17 0 "[ . 1 . 2]" 6
195 1 80 PHE H 1 99 ASP H . . 5.000 3.430 2.708 3.687 . 0 0 "[ . 1 . 2]" 6
196 2 80 PHE H 2 99 ASP H . . 5.000 3.574 3.153 3.810 . 0 0 "[ . 1 . 2]" 6
197 1 84 VAL H 1 95 VAL H . . 3.300 2.911 2.668 3.317 0.017 12 0 "[ . 1 . 2]" 6
198 2 84 VAL H 2 95 VAL H . . 3.300 2.850 2.614 3.243 . 0 0 "[ . 1 . 2]" 6
199 1 86 PHE H 1 93 THR H . . 3.300 3.135 2.423 3.334 0.034 5 0 "[ . 1 . 2]" 6
200 2 86 PHE H 2 93 THR H . . 3.300 3.179 2.391 3.332 0.032 16 0 "[ . 1 . 2]" 6
201 1 88 TYR H 1 91 ARG H . . 3.300 3.061 2.617 3.321 0.021 5 0 "[ . 1 . 2]" 6
202 2 88 TYR H 2 91 ARG H . . 3.300 3.064 2.607 3.300 0.000 2 0 "[ . 1 . 2]" 6
203 1 98 ILE H 1 115 LEU H . . 5.000 2.759 2.317 3.510 . 0 0 "[ . 1 . 2]" 6
204 2 98 ILE H 2 115 LEU H . . 5.000 2.881 2.386 3.838 . 0 0 "[ . 1 . 2]" 6
205 1 100 HIS H 1 113 ARG H . . 3.300 3.223 2.877 3.324 0.024 4 0 "[ . 1 . 2]" 6
206 2 100 HIS H 2 113 ARG H . . 3.300 3.272 2.820 3.352 0.052 1 0 "[ . 1 . 2]" 6
207 1 102 ARG H 1 110 VAL H . . 5.000 4.490 3.430 5.015 0.015 19 0 "[ . 1 . 2]" 6
208 2 102 ARG H 2 110 VAL H . . 5.000 4.729 4.130 5.036 0.036 6 0 "[ . 1 . 2]" 6
209 1 104 ASN H 1 108 LYS H . . 5.000 2.941 2.195 3.876 . 0 0 "[ . 1 . 2]" 6
210 2 104 ASN H 2 108 LYS H . . 5.000 2.841 2.301 3.468 . 0 0 "[ . 1 . 2]" 6
211 1 94 VAL H 1 122 HIS H . . 5.000 2.549 2.289 3.000 . 0 0 "[ . 1 . 2]" 6
212 2 94 VAL H 2 122 HIS H . . 5.000 2.494 2.192 2.768 . 0 0 "[ . 1 . 2]" 6
213 1 63 LEU MD1 1 65 VAL MG2 . . 4.300 2.308 1.811 2.791 . 0 0 "[ . 1 . 2]" 6
214 2 63 LEU MD1 2 65 VAL MG2 . . 4.300 2.494 1.883 2.878 . 0 0 "[ . 1 . 2]" 6
215 1 63 LEU MD2 1 86 PHE QR . . 6.100 3.153 1.680 3.930 . 0 0 "[ . 1 . 2]" 6
216 2 63 LEU MD2 2 86 PHE QR . . 6.100 3.152 1.766 3.949 . 0 0 "[ . 1 . 2]" 6
217 1 63 LEU MD2 1 86 PHE HB3 . . 5.500 3.032 1.827 4.443 . 0 0 "[ . 1 . 2]" 6
218 2 63 LEU MD2 2 86 PHE HB3 . . 5.500 2.751 1.782 4.454 . 0 0 "[ . 1 . 2]" 6
219 1 63 LEU MD2 1 84 VAL QG . . 5.300 2.295 1.673 3.232 . 0 0 "[ . 1 . 2]" 6
220 2 63 LEU MD2 2 84 VAL QG . . 5.300 2.305 1.682 3.254 . 0 0 "[ . 1 . 2]" 6
221 1 63 LEU MD2 1 85 SER H . . 5.500 3.851 2.225 4.466 . 0 0 "[ . 1 . 2]" 6
222 2 63 LEU MD2 2 85 SER H . . 5.500 4.104 2.244 4.458 . 0 0 "[ . 1 . 2]" 6
223 1 64 ALA MB 1 85 SER QB . . 4.000 2.478 1.779 2.795 . 0 0 "[ . 1 . 2]" 6
224 2 64 ALA MB 2 85 SER QB . . 4.000 2.264 1.645 2.887 . 0 0 "[ . 1 . 2]" 6
225 1 65 VAL H 1 65 VAL HB . . 3.300 2.314 2.143 2.726 . 0 0 "[ . 1 . 2]" 6
226 2 65 VAL H 2 65 VAL HB . . 3.300 2.311 2.113 2.915 . 0 0 "[ . 1 . 2]" 6
227 1 65 VAL MG2 1 84 VAL HA . . 3.800 2.558 1.990 2.956 . 0 0 "[ . 1 . 2]" 6
228 2 65 VAL MG2 2 84 VAL HA . . 3.800 2.568 1.969 2.920 . 0 0 "[ . 1 . 2]" 6
229 1 65 VAL MG2 1 84 VAL HB . . 3.800 2.044 1.765 2.707 . 0 0 "[ . 1 . 2]" 6
230 2 65 VAL MG2 2 84 VAL HB . . 3.800 2.128 1.802 2.963 . 0 0 "[ . 1 . 2]" 6
231 1 65 VAL MG2 1 84 VAL QG . . 5.300 2.232 1.833 2.999 . 0 0 "[ . 1 . 2]" 6
232 2 65 VAL MG2 2 84 VAL QG . . 5.300 2.359 1.640 3.115 . 0 0 "[ . 1 . 2]" 6
233 1 65 VAL MG1 1 66 GLU H . . 3.200 2.134 1.908 2.477 . 0 0 "[ . 1 . 2]" 6
234 2 65 VAL MG1 2 66 GLU H . . 3.200 2.109 1.930 2.490 . 0 0 "[ . 1 . 2]" 6
235 1 65 VAL MG1 1 66 GLU HA . . 5.500 3.211 2.995 3.488 . 0 0 "[ . 1 . 2]" 6
236 2 65 VAL MG1 2 66 GLU HA . . 5.500 3.239 2.948 3.630 . 0 0 "[ . 1 . 2]" 6
237 1 65 VAL MG1 1 82 PHE QD . . 3.800 2.057 1.815 2.995 . 0 0 "[ . 1 . 2]" 6
238 2 65 VAL MG1 2 82 PHE HD2 . . 3.800 1.998 1.792 2.709 . 0 0 "[ . 1 . 2]" 6
239 1 65 VAL MG1 1 84 VAL HA . . 5.500 3.783 3.413 4.292 . 0 0 "[ . 1 . 2]" 6
240 2 65 VAL MG1 2 84 VAL HA . . 5.500 3.755 2.816 4.152 . 0 0 "[ . 1 . 2]" 6
241 1 66 GLU QG 1 68 THR MG . . 5.500 3.663 3.077 4.021 . 0 0 "[ . 1 . 2]" 6
242 2 66 GLU QG 2 68 THR MG . . 5.500 3.508 2.459 4.074 . 0 0 "[ . 1 . 2]" 6
243 1 67 LEU QD 1 71 VAL MG2 . . 5.300 2.114 1.608 2.548 . 0 0 "[ . 1 . 2]" 6
244 2 67 LEU QD 2 71 VAL MG2 . . 5.300 2.146 1.752 2.642 . 0 0 "[ . 1 . 2]" 6
245 1 67 LEU QD 1 80 PHE QD . . 4.800 2.465 1.751 3.538 . 0 0 "[ . 1 . 2]" 6
246 2 67 LEU QD 2 80 PHE QD . . 4.800 2.433 1.716 3.537 . 0 0 "[ . 1 . 2]" 6
247 1 67 LEU QD 1 69 GLN H . . 4.800 2.700 2.184 3.386 . 0 0 "[ . 1 . 2]" 6
248 2 67 LEU QD 2 69 GLN H . . 4.800 2.659 1.975 3.323 . 0 0 "[ . 1 . 2]" 6
249 1 67 LEU QD 1 82 PHE HA . . 6.500 2.846 1.970 4.410 . 0 0 "[ . 1 . 2]" 6
250 2 67 LEU QD 2 82 PHE HA . . 6.500 3.051 1.985 4.394 . 0 0 "[ . 1 . 2]" 6
251 1 67 LEU QD 1 81 ALA H . . 6.500 3.416 2.612 4.784 . 0 0 "[ . 1 . 2]" 6
252 2 67 LEU QD 2 81 ALA H . . 6.500 3.477 2.617 4.678 . 0 0 "[ . 1 . 2]" 6
253 1 67 LEU QB 1 68 THR H . . 4.200 2.909 2.322 3.620 . 0 0 "[ . 1 . 2]" 6
254 2 67 LEU QB 2 68 THR H . . 4.200 2.977 2.168 3.808 . 0 0 "[ . 1 . 2]" 6
255 1 68 THR MG 1 82 PHE HA . . 3.800 2.870 2.080 3.092 . 0 0 "[ . 1 . 2]" 6
256 2 68 THR MG 2 82 PHE HA . . 3.800 2.868 2.423 3.138 . 0 0 "[ . 1 . 2]" 6
257 1 68 THR MG 1 83 THR H . . 3.800 2.813 2.501 3.105 . 0 0 "[ . 1 . 2]" 6
258 2 68 THR MG 2 83 THR H . . 3.800 2.791 2.443 3.164 . 0 0 "[ . 1 . 2]" 6
259 1 68 THR MG 1 83 THR MG . . 3.700 2.183 1.768 2.488 . 0 0 "[ . 1 . 2]" 6
260 2 68 THR MG 2 83 THR MG . . 3.700 2.145 1.767 2.482 . 0 0 "[ . 1 . 2]" 6
261 1 68 THR H 1 69 GLN H . . 2.700 2.076 1.870 2.703 0.003 5 0 "[ . 1 . 2]" 6
262 2 68 THR H 2 69 GLN H . . 2.700 2.008 1.837 2.668 . 0 0 "[ . 1 . 2]" 6
263 1 69 GLN HE21 1 81 ALA MB . . 3.800 2.298 1.781 2.992 . 0 0 "[ . 1 . 2]" 6
264 2 69 GLN HE21 2 81 ALA MB . . 3.800 2.404 1.776 2.991 . 0 0 "[ . 1 . 2]" 6
265 1 69 GLN HE22 1 81 ALA MB . . 3.800 2.647 1.890 3.015 . 0 0 "[ . 1 . 2]" 6
266 2 69 GLN HE22 2 81 ALA MB . . 3.800 2.528 1.767 3.042 . 0 0 "[ . 1 . 2]" 6
267 1 69 GLN H 1 82 PHE HA . . 5.000 3.966 2.980 5.028 0.028 8 0 "[ . 1 . 2]" 6
268 2 69 GLN H 2 82 PHE HA . . 5.000 3.910 2.742 5.014 0.014 6 0 "[ . 1 . 2]" 6
269 1 69 GLN QB 1 70 GLU H . . 3.500 1.997 1.852 2.377 . 0 0 "[ . 1 . 2]" 6
270 2 69 GLN QB 2 70 GLU H . . 3.500 1.962 1.826 2.378 . 0 0 "[ . 1 . 2]" 6
271 1 69 GLN HE21 1 81 ALA O . . 2.000 2.069 2.012 2.200 0.200 2 0 "[ . 1 . 2]" 6
272 2 69 GLN HE21 2 81 ALA O . . 2.000 2.057 2.019 2.125 0.125 13 0 "[ . 1 . 2]" 6
273 1 71 VAL MG1 1 73 ALA MB . . 6.000 2.868 2.212 3.492 . 0 0 "[ . 1 . 2]" 6
274 2 71 VAL MG1 2 73 ALA MB . . 6.000 2.796 2.049 3.710 . 0 0 "[ . 1 . 2]" 6
275 1 71 VAL MG1 1 79 ALA H . . 5.500 3.689 2.903 4.340 . 0 0 "[ . 1 . 2]" 6
276 2 71 VAL MG1 2 79 ALA H . . 5.500 3.623 3.152 4.361 . 0 0 "[ . 1 . 2]" 6
277 1 71 VAL MG1 1 78 ALA MB . . 4.300 2.806 2.623 2.935 . 0 0 "[ . 1 . 2]" 6
278 2 71 VAL MG1 2 78 ALA MB . . 4.300 2.733 2.409 2.927 . 0 0 "[ . 1 . 2]" 6
279 1 71 VAL MG1 1 80 PHE HA . . 5.500 3.510 3.230 3.966 . 0 0 "[ . 1 . 2]" 6
280 2 71 VAL MG1 2 80 PHE HA . . 5.500 3.471 2.593 3.935 . 0 0 "[ . 1 . 2]" 6
281 1 71 VAL MG2 1 80 PHE HA . . 5.500 3.368 1.965 3.669 . 0 0 "[ . 1 . 2]" 6
282 2 71 VAL MG2 2 80 PHE HA . . 5.500 3.365 2.124 3.644 . 0 0 "[ . 1 . 2]" 6
283 1 71 VAL MG1 1 80 PHE QB . . 3.800 1.960 1.871 2.512 . 0 0 "[ . 1 . 2]" 6
284 2 71 VAL MG1 2 80 PHE QB . . 3.800 1.943 1.811 2.475 . 0 0 "[ . 1 . 2]" 6
285 1 71 VAL MG1 1 80 PHE QR . . 7.800 2.828 1.776 3.785 . 0 0 "[ . 1 . 2]" 6
286 2 71 VAL MG1 2 80 PHE QR . . 7.800 2.835 1.790 3.452 . 0 0 "[ . 1 . 2]" 6
287 1 73 ALA HA 1 78 ALA MB . . 3.800 3.007 2.700 3.124 . 0 0 "[ . 1 . 2]" 6
288 2 73 ALA HA 2 78 ALA MB . . 3.800 3.044 2.765 3.173 . 0 0 "[ . 1 . 2]" 6
289 1 73 ALA MB 1 78 ALA HA . . 3.800 3.051 2.967 3.120 . 0 0 "[ . 1 . 2]" 6
290 2 73 ALA MB 2 78 ALA HA . . 3.800 3.069 2.933 3.162 . 0 0 "[ . 1 . 2]" 6
291 1 73 ALA MB 1 79 ALA H . . 5.500 4.473 3.947 4.609 . 0 0 "[ . 1 . 2]" 6
292 2 73 ALA MB 2 79 ALA H . . 5.500 4.436 4.180 4.579 . 0 0 "[ . 1 . 2]" 6
293 1 75 ALA MB 1 77 GLU H . . 5.500 3.866 3.390 4.455 . 0 0 "[ . 1 . 2]" 6
294 2 75 ALA MB 2 77 GLU H . . 5.500 3.908 3.503 4.476 . 0 0 "[ . 1 . 2]" 6
295 1 75 ALA HA 1 76 ASN H . . 2.700 2.458 2.228 2.757 0.057 3 0 "[ . 1 . 2]" 6
296 2 75 ALA HA 2 76 ASN H . . 2.700 2.487 2.237 2.774 0.074 11 0 "[ . 1 . 2]" 6
297 1 78 ALA MB 1 103 PHE QE . . 7.800 3.981 2.101 5.931 . 0 0 "[ . 1 . 2]" 6
298 2 78 ALA MB 2 103 PHE HE1 . . 7.800 4.272 1.811 8.031 0.231 11 0 "[ . 1 . 2]" 6
299 1 78 ALA MB 1 101 PHE QD . . 5.500 3.160 2.118 4.070 . 0 0 "[ . 1 . 2]" 6
300 2 78 ALA MB 2 101 PHE QD . . 5.500 3.355 2.476 4.075 . 0 0 "[ . 1 . 2]" 6
301 1 78 ALA MB 1 80 PHE QD . . 5.000 3.156 2.342 3.929 . 0 0 "[ . 1 . 2]" 6
302 2 78 ALA MB 2 80 PHE QD . . 5.000 3.187 2.531 3.849 . 0 0 "[ . 1 . 2]" 6
303 1 79 ALA MB 1 100 HIS HA . . 3.800 2.950 2.660 3.101 . 0 0 "[ . 1 . 2]" 6
304 2 79 ALA MB 2 100 HIS HA . . 3.800 2.940 2.590 3.113 . 0 0 "[ . 1 . 2]" 6
305 1 79 ALA MB 1 98 ILE MG . . 6.000 2.991 2.360 3.495 . 0 0 "[ . 1 . 2]" 6
306 2 79 ALA MB 2 98 ILE MG . . 6.000 3.007 2.632 3.371 . 0 0 "[ . 1 . 2]" 6
307 1 80 PHE QR 1 99 ASP QB . . 7.300 2.063 1.755 2.204 . 0 0 "[ . 1 . 2]" 6
308 2 80 PHE QR 2 99 ASP HB2 . . 7.300 2.632 1.999 3.398 . 0 0 "[ . 1 . 2]" 6
309 2 80 PHE QR 2 99 ASP HB3 . . 7.300 2.432 1.978 3.837 . 0 0 "[ . 1 . 2]" 6
310 1 80 PHE QR 1 82 PHE QR . . 9.600 2.189 1.719 2.684 . 0 0 "[ . 1 . 2]" 6
311 2 80 PHE QR 2 82 PHE QR . . 9.600 2.313 1.729 3.306 . 0 0 "[ . 1 . 2]" 6
312 1 80 PHE QR 1 99 ASP H . . 7.300 3.475 3.012 3.773 . 0 0 "[ . 1 . 2]" 6
313 2 80 PHE QR 2 99 ASP H . . 7.300 3.541 3.154 3.811 . 0 0 "[ . 1 . 2]" 6
314 1 80 PHE H 1 80 PHE QD . . 2.700 2.266 1.934 2.705 0.005 11 0 "[ . 1 . 2]" 6
315 2 80 PHE H 2 80 PHE QD . . 2.700 2.156 1.927 2.570 . 0 0 "[ . 1 . 2]" 6
316 1 80 PHE QD 1 81 ALA H . . 5.000 3.527 2.850 4.286 . 0 0 "[ . 1 . 2]" 6
317 2 80 PHE QD 2 81 ALA H . . 5.000 3.509 2.771 4.386 . 0 0 "[ . 1 . 2]" 6
318 1 82 PHE QD 1 83 THR H . . 3.300 3.199 2.722 3.335 0.035 3 0 "[ . 1 . 2]" 6
319 2 82 PHE HD2 2 83 THR H . . 3.300 3.190 2.682 3.392 0.092 11 0 "[ . 1 . 2]" 6
320 1 82 PHE QE 1 99 ASP H . . 5.000 2.927 2.187 5.039 0.039 12 0 "[ . 1 . 2]" 6
321 2 82 PHE HE1 2 99 ASP H . . 5.000 2.842 2.262 5.084 0.084 11 0 "[ . 1 . 2]" 6
322 1 82 PHE QD 1 99 ASP H . . 5.000 2.952 2.446 4.021 . 0 0 "[ . 1 . 2]" 6
323 2 82 PHE HD1 2 99 ASP H . . 5.000 2.841 2.493 3.546 . 0 0 "[ . 1 . 2]" 6
324 1 82 PHE QE 1 99 ASP QB . . 5.000 2.446 1.986 3.946 . 0 0 "[ . 1 . 2]" 6
325 2 82 PHE HE1 2 99 ASP HB2 . . 5.000 2.555 1.995 5.006 0.006 14 0 "[ . 1 . 2]" 6
326 1 82 PHE H 1 82 PHE QD . . 2.700 2.297 1.943 2.732 0.032 12 0 "[ . 1 . 2]" 6
327 2 82 PHE H 2 82 PHE HD1 . . 2.700 2.346 1.877 2.769 0.069 11 0 "[ . 1 . 2]" 6
328 1 82 PHE QB 1 83 THR H . . 4.100 2.318 2.031 2.635 . 0 0 "[ . 1 . 2]" 6
329 2 82 PHE QB 2 83 THR H . . 4.100 2.358 1.945 2.708 . 0 0 "[ . 1 . 2]" 6
330 1 83 THR MG 1 96 ALA MB . . 3.700 2.151 1.847 2.299 . 0 0 "[ . 1 . 2]" 6
331 2 83 THR MG 2 96 ALA MB . . 3.700 2.087 1.863 2.288 . 0 0 "[ . 1 . 2]" 6
332 1 83 THR MG 1 96 ALA HA . . 3.800 2.735 2.394 2.919 . 0 0 "[ . 1 . 2]" 6
333 2 83 THR MG 2 96 ALA HA . . 3.800 2.662 2.353 2.860 . 0 0 "[ . 1 . 2]" 6
334 1 83 THR HA 1 96 ALA MB . . 3.800 3.113 3.025 3.189 . 0 0 "[ . 1 . 2]" 6
335 2 83 THR HA 2 96 ALA MB . . 3.800 3.109 3.006 3.215 . 0 0 "[ . 1 . 2]" 6
336 1 83 THR MG 1 94 VAL QG . . 4.700 2.657 2.174 2.831 . 0 0 "[ . 1 . 2]" 6
337 2 83 THR MG 2 94 VAL QG . . 4.700 2.604 2.192 2.787 . 0 0 "[ . 1 . 2]" 6
338 1 83 THR HB 1 94 VAL QG . . 4.800 2.915 2.518 3.576 . 0 0 "[ . 1 . 2]" 6
339 2 83 THR HB 2 94 VAL QG . . 4.800 2.816 2.488 3.516 . 0 0 "[ . 1 . 2]" 6
340 1 83 THR HA 1 97 PRO HD2 . . 5.000 2.761 2.429 2.973 . 0 0 "[ . 1 . 2]" 6
341 2 83 THR HA 2 97 PRO HD2 . . 5.000 2.753 2.485 2.904 . 0 0 "[ . 1 . 2]" 6
342 1 83 THR HA 1 97 PRO HD3 . . 5.000 3.472 3.221 3.729 . 0 0 "[ . 1 . 2]" 6
343 2 83 THR HA 2 97 PRO HD3 . . 5.000 3.469 3.176 3.618 . 0 0 "[ . 1 . 2]" 6
344 1 84 VAL QG 1 95 VAL MG1 . . 4.700 2.770 2.333 2.917 . 0 0 "[ . 1 . 2]" 6
345 2 84 VAL QG 2 95 VAL MG1 . . 4.700 2.752 2.276 2.900 . 0 0 "[ . 1 . 2]" 6
346 1 84 VAL QG 1 86 PHE QR . . 6.500 2.326 1.831 2.999 . 0 0 "[ . 1 . 2]" 6
347 2 84 VAL QG 2 86 PHE QR . . 6.500 2.397 1.815 3.056 . 0 0 "[ . 1 . 2]" 6
348 1 85 SER HA 1 94 VAL QG . . 4.200 2.293 1.966 2.658 . 0 0 "[ . 1 . 2]" 6
349 2 85 SER HA 2 94 VAL QG . . 4.200 2.257 1.950 2.647 . 0 0 "[ . 1 . 2]" 6
350 1 86 PHE H 1 93 THR HB . . 5.000 4.100 3.180 4.699 . 0 0 "[ . 1 . 2]" 6
351 2 86 PHE H 2 93 THR HB . . 5.000 4.119 3.177 4.575 . 0 0 "[ . 1 . 2]" 6
352 1 87 GLU QB 1 92 LYS HA . . 4.100 2.977 1.989 3.533 . 0 0 "[ . 1 . 2]" 6
353 2 87 GLU QB 2 92 LYS HA . . 4.100 2.714 1.979 3.492 . 0 0 "[ . 1 . 2]" 6
354 1 87 GLU QB 1 93 THR H . . 5.800 4.260 3.232 4.825 . 0 0 "[ . 1 . 2]" 6
355 2 87 GLU QB 2 93 THR H . . 5.800 4.029 3.216 4.868 . 0 0 "[ . 1 . 2]" 6
356 1 87 GLU QG 1 90 GLY H . . 4.100 3.645 2.500 3.780 . 0 0 "[ . 1 . 2]" 6
357 2 87 GLU QG 2 90 GLY H . . 4.100 3.444 2.393 3.813 . 0 0 "[ . 1 . 2]" 6
358 1 87 GLU QG 1 91 ARG H . . 4.100 3.088 2.516 3.737 . 0 0 "[ . 1 . 2]" 6
359 2 87 GLU QG 2 91 ARG H . . 4.100 3.223 2.634 3.734 . 0 0 "[ . 1 . 2]" 6
360 1 93 THR MG 1 94 VAL H . . 3.200 2.199 1.783 2.419 . 0 0 "[ . 1 . 2]" 6
361 2 93 THR MG 2 94 VAL H . . 3.200 2.167 1.882 2.390 . 0 0 "[ . 1 . 2]" 6
362 1 86 PHE QR 1 93 THR MG . . 5.500 2.578 1.973 3.224 . 0 0 "[ . 1 . 2]" 6
363 2 86 PHE QR 2 93 THR MG . . 5.500 2.709 2.011 3.360 . 0 0 "[ . 1 . 2]" 6
364 1 93 THR MG 1 123 ALA MB . . 4.300 2.515 2.345 2.727 . 0 0 "[ . 1 . 2]" 6
365 2 93 THR MG 2 123 ALA MB . . 4.300 2.502 2.258 2.745 . 0 0 "[ . 1 . 2]" 6
366 1 93 THR MG 1 123 ALA HA . . 3.800 2.209 1.902 2.685 . 0 0 "[ . 1 . 2]" 6
367 2 93 THR MG 2 123 ALA HA . . 3.800 2.181 1.934 2.807 . 0 0 "[ . 1 . 2]" 6
368 1 93 THR MG 1 121 ILE MG . . 4.300 1.825 1.612 2.405 . 0 0 "[ . 1 . 2]" 6
369 2 93 THR MG 2 121 ILE MG . . 4.300 1.780 1.614 2.230 . 0 0 "[ . 1 . 2]" 6
370 1 93 THR MG 1 122 HIS H . . 3.800 2.785 2.482 3.128 . 0 0 "[ . 1 . 2]" 6
371 2 93 THR MG 2 122 HIS H . . 3.800 2.748 2.448 3.122 . 0 0 "[ . 1 . 2]" 6
372 1 94 VAL QG 1 122 HIS H . . 4.800 2.875 2.496 3.322 . 0 0 "[ . 1 . 2]" 6
373 2 94 VAL QG 2 122 HIS H . . 4.800 2.866 2.587 3.262 . 0 0 "[ . 1 . 2]" 6
374 1 94 VAL QG 1 122 HIS HD2 . . 6.500 2.493 1.847 4.272 . 0 0 "[ . 1 . 2]" 6
375 2 94 VAL QG 2 122 HIS HD2 . . 6.500 2.601 1.828 4.457 . 0 0 "[ . 1 . 2]" 6
376 1 94 VAL QG 1 122 HIS HB2 . . 6.500 2.050 1.876 2.748 . 0 0 "[ . 1 . 2]" 6
377 2 94 VAL QG 2 122 HIS HB2 . . 6.500 2.012 1.798 2.731 . 0 0 "[ . 1 . 2]" 6
378 1 94 VAL H 1 122 HIS HB2 . . 5.000 3.374 3.036 3.958 . 0 0 "[ . 1 . 2]" 6
379 2 94 VAL H 2 122 HIS HB2 . . 5.000 3.382 3.089 3.681 . 0 0 "[ . 1 . 2]" 6
380 1 94 VAL H 1 121 ILE MG . . 5.500 3.309 2.849 3.676 . 0 0 "[ . 1 . 2]" 6
381 2 94 VAL H 2 121 ILE MG . . 5.500 3.256 2.753 3.626 . 0 0 "[ . 1 . 2]" 6
382 1 94 VAL HB 1 122 HIS H . . 5.000 4.511 3.450 5.033 0.033 10 0 "[ . 1 . 2]" 6
383 2 94 VAL HB 2 122 HIS H . . 5.000 4.478 2.899 5.086 0.086 19 0 "[ . 1 . 2]" 6
384 1 95 VAL H 1 95 VAL HB . . 2.700 2.438 2.255 2.601 . 0 0 "[ . 1 . 2]" 6
385 2 95 VAL H 2 95 VAL HB . . 2.700 2.466 2.247 2.628 . 0 0 "[ . 1 . 2]" 6
386 1 95 VAL MG1 1 96 ALA H . . 3.200 1.876 1.780 2.053 . 0 0 "[ . 1 . 2]" 6
387 2 95 VAL MG1 2 96 ALA H . . 3.200 1.860 1.779 2.017 . 0 0 "[ . 1 . 2]" 6
388 1 95 VAL H 1 95 VAL MG2 . . 3.200 2.513 2.132 2.658 . 0 0 "[ . 1 . 2]" 6
389 2 95 VAL H 2 95 VAL MG2 . . 3.200 2.463 2.228 2.663 . 0 0 "[ . 1 . 2]" 6
390 1 86 PHE QR 1 95 VAL MG2 . . 6.100 1.903 1.746 2.508 . 0 0 "[ . 1 . 2]" 6
391 2 86 PHE QR 2 95 VAL MG2 . . 6.100 2.029 1.752 3.066 . 0 0 "[ . 1 . 2]" 6
392 1 95 VAL MG1 1 116 PHE QR . . 7.800 2.592 1.866 3.336 . 0 0 "[ . 1 . 2]" 6
393 2 95 VAL MG1 2 116 PHE QR . . 7.800 2.704 2.075 3.629 . 0 0 "[ . 1 . 2]" 6
394 1 95 VAL MG1 1 97 PRO HD3 . . 5.500 1.946 1.798 2.097 . 0 0 "[ . 1 . 2]" 6
395 2 95 VAL MG1 2 97 PRO HD3 . . 5.500 1.946 1.836 2.025 . 0 0 "[ . 1 . 2]" 6
396 1 95 VAL MG2 1 121 ILE MG . . 3.700 1.962 1.651 2.239 . 0 0 "[ . 1 . 2]" 6
397 2 95 VAL MG2 2 121 ILE MG . . 3.700 2.021 1.702 2.237 . 0 0 "[ . 1 . 2]" 6
398 1 95 VAL MG2 1 121 ILE HG12 . . 3.800 1.986 1.816 2.443 . 0 0 "[ . 1 . 2]" 6
399 2 95 VAL MG2 2 121 ILE HG12 . . 3.800 2.036 1.771 2.886 . 0 0 "[ . 1 . 2]" 6
400 1 95 VAL MG2 1 121 ILE HG13 . . 3.800 2.709 1.887 3.109 . 0 0 "[ . 1 . 2]" 6
401 2 95 VAL MG2 2 121 ILE HG13 . . 3.800 2.729 1.893 3.090 . 0 0 "[ . 1 . 2]" 6
402 1 96 ALA HA 1 97 PRO HD2 . . 3.300 2.330 2.267 2.397 . 0 0 "[ . 1 . 2]" 6
403 2 96 ALA HA 2 97 PRO HD2 . . 3.300 2.344 2.297 2.409 . 0 0 "[ . 1 . 2]" 6
404 1 96 ALA HA 1 97 PRO HD3 . . 3.300 2.599 2.486 2.701 . 0 0 "[ . 1 . 2]" 6
405 2 96 ALA HA 2 97 PRO HD3 . . 3.300 2.623 2.543 2.720 . 0 0 "[ . 1 . 2]" 6
406 1 96 ALA MB 1 122 HIS HD2 . . 5.500 3.793 3.303 4.435 . 0 0 "[ . 1 . 2]" 6
407 2 96 ALA MB 2 122 HIS HD2 . . 5.500 3.796 3.198 4.339 . 0 0 "[ . 1 . 2]" 6
408 1 96 ALA MB 1 120 ASN HA . . 5.500 3.623 3.193 4.183 . 0 0 "[ . 1 . 2]" 6
409 2 96 ALA MB 2 120 ASN HA . . 5.500 3.638 3.315 4.057 . 0 0 "[ . 1 . 2]" 6
410 1 96 ALA H 1 122 HIS HD2 . . 5.000 4.863 4.437 5.029 0.029 13 0 "[ . 1 . 2]" 6
411 2 96 ALA H 2 122 HIS HD2 . . 5.000 4.775 3.887 5.023 0.023 1 0 "[ . 1 . 2]" 6
412 1 97 PRO HA 1 116 PHE QR . . 7.300 4.482 3.055 5.412 . 0 0 "[ . 1 . 2]" 6
413 2 97 PRO HA 2 116 PHE QR . . 7.300 4.401 3.339 5.587 . 0 0 "[ . 1 . 2]" 6
414 1 97 PRO HB3 1 116 PHE QR . . 7.300 3.370 1.964 4.265 . 0 0 "[ . 1 . 2]" 6
415 2 97 PRO HB3 2 116 PHE QR . . 7.300 3.225 2.098 4.473 . 0 0 "[ . 1 . 2]" 6
416 1 97 PRO HG3 1 116 PHE QR . . 7.300 3.943 1.978 5.558 . 0 0 "[ . 1 . 2]" 6
417 2 97 PRO HG3 2 116 PHE QR . . 7.300 3.604 2.051 5.586 . 0 0 "[ . 1 . 2]" 6
418 1 98 ILE MG 1 99 ASP H . . 3.800 2.832 1.984 3.030 . 0 0 "[ . 1 . 2]" 6
419 2 98 ILE MG 2 99 ASP H . . 3.800 2.898 2.491 3.058 . 0 0 "[ . 1 . 2]" 6
420 1 98 ILE MG 1 115 LEU MD1 . . 6.000 3.619 3.111 3.921 . 0 0 "[ . 1 . 2]" 6
421 2 98 ILE MG 2 115 LEU MD1 . . 6.000 3.686 2.857 3.971 . 0 0 "[ . 1 . 2]" 6
422 1 99 ASP HA 1 114 ALA MB . . 3.800 2.840 2.325 3.111 . 0 0 "[ . 1 . 2]" 6
423 2 99 ASP HA 2 114 ALA MB . . 3.800 2.919 2.586 3.097 . 0 0 "[ . 1 . 2]" 6
424 1 99 ASP QB 1 101 PHE HZ . . 5.000 3.974 2.827 4.747 . 0 0 "[ . 1 . 2]" 6
425 2 99 ASP HB3 2 101 PHE HZ . . 5.000 3.862 2.316 5.021 0.021 6 0 "[ . 1 . 2]" 6
426 1 101 PHE QR 1 109 VAL MG1 . . 6.100 3.021 1.740 4.017 . 0 0 "[ . 1 . 2]" 6
427 2 101 PHE QR 2 109 VAL MG1 . . 6.100 3.199 2.166 4.154 . 0 0 "[ . 1 . 2]" 6
428 1 101 PHE QD 1 112 MET QB . . 4.100 2.612 1.962 3.454 . 0 0 "[ . 1 . 2]" 6
429 2 101 PHE QD 2 112 MET QB . . 4.100 2.670 1.804 3.424 . 0 0 "[ . 1 . 2]" 6
430 1 101 PHE QD 1 113 ARG H . . 5.000 3.800 2.680 4.915 . 0 0 "[ . 1 . 2]" 6
431 2 101 PHE QD 2 113 ARG H . . 5.000 3.338 2.142 4.875 . 0 0 "[ . 1 . 2]" 6
432 1 102 ARG H 1 109 VAL MG1 . . 3.800 2.713 1.925 3.132 . 0 0 "[ . 1 . 2]" 6
433 2 102 ARG H 2 109 VAL MG1 . . 3.800 2.875 2.007 3.236 . 0 0 "[ . 1 . 2]" 6
434 1 102 ARG H 1 111 SER QB . . 5.800 3.606 2.764 4.226 . 0 0 "[ . 1 . 2]" 6
435 2 102 ARG H 2 111 SER QB . . 5.800 3.595 2.837 4.239 . 0 0 "[ . 1 . 2]" 6
436 1 103 PHE QE 1 109 VAL MG2 . . 7.300 2.449 1.909 4.076 . 0 0 "[ . 1 . 2]" 6
437 2 103 PHE HE1 2 109 VAL MG2 . . 7.300 3.210 1.982 4.893 . 0 0 "[ . 1 . 2]" 6
438 1 109 VAL H 1 109 VAL MG2 . . 3.200 1.984 1.865 2.266 . 0 0 "[ . 1 . 2]" 6
439 2 109 VAL H 2 109 VAL MG2 . . 3.200 2.075 1.874 2.367 . 0 0 "[ . 1 . 2]" 6
440 1 109 VAL H 1 109 VAL HB . . 2.700 2.587 2.471 2.704 0.004 10 0 "[ . 1 . 2]" 6
441 2 109 VAL H 2 109 VAL HB . . 2.700 2.602 2.445 2.730 0.030 9 0 "[ . 1 . 2]" 6
442 1 109 VAL HA 1 109 VAL MG1 . . 3.200 2.303 2.140 2.435 . 0 0 "[ . 1 . 2]" 6
443 2 109 VAL HA 2 109 VAL MG1 . . 3.200 2.294 2.125 2.467 . 0 0 "[ . 1 . 2]" 6
444 1 109 VAL HA 1 109 VAL MG2 . . 3.200 2.456 2.318 2.580 . 0 0 "[ . 1 . 2]" 6
445 2 109 VAL HA 2 109 VAL MG2 . . 3.200 2.483 2.333 2.601 . 0 0 "[ . 1 . 2]" 6
446 1 109 VAL MG1 1 111 SER H . . 5.500 2.651 2.041 4.220 . 0 0 "[ . 1 . 2]" 6
447 2 109 VAL MG1 2 111 SER H . . 5.500 2.559 1.924 4.342 . 0 0 "[ . 1 . 2]" 6
448 1 109 VAL MG1 1 112 MET QB . . 6.300 3.052 2.164 3.745 . 0 0 "[ . 1 . 2]" 6
449 2 109 VAL MG1 2 112 MET QB . . 6.300 3.136 2.363 4.059 . 0 0 "[ . 1 . 2]" 6
450 1 109 VAL MG1 1 112 MET QG . . 6.300 3.469 2.007 4.571 . 0 0 "[ . 1 . 2]" 6
451 2 109 VAL MG1 2 112 MET QG . . 6.300 3.374 2.055 4.617 . 0 0 "[ . 1 . 2]" 6
452 1 109 VAL MG1 1 110 VAL H . . 3.800 2.841 2.577 3.065 . 0 0 "[ . 1 . 2]" 6
453 2 109 VAL MG1 2 110 VAL H . . 3.800 2.835 2.413 3.029 . 0 0 "[ . 1 . 2]" 6
454 1 114 ALA MB 1 116 PHE QR . . 7.800 3.806 1.806 4.779 . 0 0 "[ . 1 . 2]" 6
455 2 114 ALA MB 2 116 PHE QR . . 7.800 3.492 1.829 5.009 . 0 0 "[ . 1 . 2]" 6
456 1 115 LEU HA 1 115 LEU HG . . 3.300 2.174 2.060 2.366 . 0 0 "[ . 1 . 2]" 6
457 2 115 LEU HA 2 115 LEU HG . . 3.300 2.162 2.100 2.340 . 0 0 "[ . 1 . 2]" 6
458 1 116 PHE QR 1 117 GLY H . . 5.600 3.574 1.985 4.409 . 0 0 "[ . 1 . 2]" 6
459 2 116 PHE QR 2 117 GLY H . . 5.600 3.452 2.179 4.401 . 0 0 "[ . 1 . 2]" 6
460 1 117 GLY HA2 1 118 GLU H . . 2.700 2.615 2.505 2.732 0.032 11 0 "[ . 1 . 2]" 6
461 2 117 GLY HA2 2 118 GLU H . . 2.700 2.623 2.527 2.714 0.014 3 0 "[ . 1 . 2]" 6
462 1 117 GLY HA3 1 118 GLU H . . 2.700 2.627 2.513 2.742 0.042 6 0 "[ . 1 . 2]" 6
463 2 117 GLY HA3 2 118 GLU H . . 2.700 2.618 2.530 2.717 0.017 19 0 "[ . 1 . 2]" 6
464 1 117 GLY HA3 1 119 LYS H . . 5.000 3.398 2.868 5.092 0.092 9 0 "[ . 1 . 2]" 6
465 2 117 GLY HA3 2 119 LYS H . . 5.000 3.433 2.923 5.116 0.116 19 0 "[ . 1 . 2]" 6
466 1 118 GLU HA 1 120 ASN H . . 5.000 3.505 3.093 4.049 . 0 0 "[ . 1 . 2]" 6
467 2 118 GLU HA 2 120 ASN H . . 5.000 3.494 3.224 3.998 . 0 0 "[ . 1 . 2]" 6
468 1 118 GLU H 1 119 LYS H . . 3.300 2.377 1.876 2.939 . 0 0 "[ . 1 . 2]" 6
469 2 118 GLU H 2 119 LYS H . . 3.300 2.395 1.889 3.290 . 0 0 "[ . 1 . 2]" 6
470 1 118 GLU HA 1 121 ILE H . . 5.000 4.631 3.560 5.071 0.071 10 0 "[ . 1 . 2]" 6
471 2 118 GLU HA 2 121 ILE H . . 5.000 4.540 3.352 5.129 0.129 19 0 "[ . 1 . 2]" 6
472 1 118 GLU HA 1 121 ILE MD . . 3.800 2.320 1.797 3.235 . 0 0 "[ . 1 . 2]" 6
473 2 118 GLU HA 2 121 ILE MD . . 3.800 2.076 1.770 3.256 . 0 0 "[ . 1 . 2]" 6
474 1 119 LYS H 1 120 ASN H . . 2.700 2.408 1.880 2.714 0.014 9 0 "[ . 1 . 2]" 6
475 2 119 LYS H 2 120 ASN H . . 2.700 2.401 1.889 2.726 0.026 19 0 "[ . 1 . 2]" 6
476 1 119 LYS HA 1 121 ILE H . . 5.000 3.547 3.102 4.455 . 0 0 "[ . 1 . 2]" 6
477 2 119 LYS HA 2 121 ILE H . . 5.000 3.569 3.213 4.189 . 0 0 "[ . 1 . 2]" 6
478 1 120 ASN H 1 121 ILE H . . 2.700 2.487 1.900 2.709 0.009 2 0 "[ . 1 . 2]" 6
479 2 120 ASN H 2 121 ILE H . . 2.700 2.519 1.961 2.714 0.014 4 0 "[ . 1 . 2]" 6
480 1 120 ASN HA 1 122 HIS HE1 . . 5.000 4.708 3.600 5.035 0.035 13 0 "[ . 1 . 2]" 6
481 2 120 ASN HA 2 122 HIS HE1 . . 5.000 4.681 3.876 5.048 0.048 7 0 "[ . 1 . 2]" 6
482 1 121 ILE H 1 121 ILE HB . . 2.700 2.630 2.366 2.716 0.016 10 0 "[ . 1 . 2]" 6
483 2 121 ILE H 2 121 ILE HB . . 2.700 2.615 2.390 2.759 0.059 19 0 "[ . 1 . 2]" 6
484 1 121 ILE HA 1 122 HIS H . . 2.700 2.258 2.227 2.326 . 0 0 "[ . 1 . 2]" 6
485 2 121 ILE HA 2 122 HIS H . . 2.700 2.262 2.223 2.358 . 0 0 "[ . 1 . 2]" 6
486 1 121 ILE MG 1 122 HIS H . . 3.200 2.285 1.931 2.540 . 0 0 "[ . 1 . 2]" 6
487 2 121 ILE MG 2 122 HIS H . . 3.200 2.277 1.975 2.506 . 0 0 "[ . 1 . 2]" 6
488 1 122 HIS HA 1 123 ALA H . . 2.700 2.238 2.186 2.355 . 0 0 "[ . 1 . 2]" 6
489 2 122 HIS HA 2 123 ALA H . . 2.700 2.239 2.187 2.396 . 0 0 "[ . 1 . 2]" 6
490 1 123 ALA HA 1 124 GLY H . . 2.700 2.438 2.190 2.618 . 0 0 "[ . 1 . 2]" 6
491 2 123 ALA HA 2 124 GLY H . . 2.700 2.444 2.194 2.576 . 0 0 "[ . 1 . 2]" 6
492 1 124 GLY HA2 1 125 ALA H . . 2.700 2.591 2.534 2.702 0.002 13 0 "[ . 1 . 2]" 6
493 2 124 GLY HA2 2 125 ALA H . . 2.700 2.573 2.539 2.641 . 0 0 "[ . 1 . 2]" 6
494 1 124 GLY HA3 1 125 ALA H . . 2.700 2.650 2.540 2.709 0.009 9 0 "[ . 1 . 2]" 6
495 2 124 GLY HA3 2 125 ALA H . . 2.700 2.667 2.597 2.704 0.004 7 0 "[ . 1 . 2]" 6
496 1 40 VAL MG1 2 75 ALA MB . . 3.700 1.932 1.672 2.430 . 0 0 "[ . 1 . 2]" 6
497 1 75 ALA MB 2 40 VAL MG1 . . 3.700 1.952 1.670 2.267 . 0 0 "[ . 1 . 2]" 6
498 1 40 VAL HB 2 74 VAL MG1 . . 5.500 2.193 1.873 3.129 . 0 0 "[ . 1 . 2]" 6
499 1 74 VAL MG1 2 40 VAL HB . . 5.500 2.310 1.920 3.452 . 0 0 "[ . 1 . 2]" 6
500 1 40 VAL MG1 2 74 VAL MG1 . . 4.300 2.589 1.767 2.862 . 0 0 "[ . 1 . 2]" 6
501 1 74 VAL MG1 2 40 VAL MG1 . . 4.300 2.594 1.939 2.915 . 0 0 "[ . 1 . 2]" 6
502 1 41 GLY HA2 2 75 ALA MB . . 5.500 3.180 2.038 4.653 . 0 0 "[ . 1 . 2]" 6
503 1 75 ALA MB 2 41 GLY HA2 . . 5.500 3.136 1.895 4.633 . 0 0 "[ . 1 . 2]" 6
504 1 41 GLY HA3 2 75 ALA MB . . 5.500 3.675 3.137 4.276 . 0 0 "[ . 1 . 2]" 6
505 1 75 ALA MB 2 41 GLY HA3 . . 5.500 3.647 2.908 4.444 . 0 0 "[ . 1 . 2]" 6
506 1 72 ARG H 2 98 ILE MD . . 5.500 4.298 3.024 4.631 . 0 0 "[ . 1 . 2]" 6
507 1 98 ILE MD 2 72 ARG H . . 5.500 4.216 3.398 4.654 . 0 0 "[ . 1 . 2]" 6
508 1 73 ALA HA 2 115 LEU MD2 . . 5.500 4.379 3.748 4.630 . 0 0 "[ . 1 . 2]" 6
509 1 115 LEU MD2 2 73 ALA HA . . 5.500 4.269 3.702 4.618 . 0 0 "[ . 1 . 2]" 6
510 1 74 VAL MG2 2 117 GLY HA2 . . 5.500 3.052 1.843 4.580 . 0 0 "[ . 1 . 2]" 6
511 1 117 GLY HA2 2 74 VAL MG2 . . 5.500 3.149 2.430 4.530 . 0 0 "[ . 1 . 2]" 6
512 1 74 VAL MG2 2 117 GLY HA3 . . 5.500 3.778 2.119 4.468 . 0 0 "[ . 1 . 2]" 6
513 1 117 GLY HA3 2 74 VAL MG2 . . 5.500 4.012 3.228 4.499 . 0 0 "[ . 1 . 2]" 6
514 1 74 VAL MG1 2 115 LEU MD2 . . 6.000 2.946 1.819 3.942 . 0 0 "[ . 1 . 2]" 6
515 1 115 LEU MD2 2 74 VAL MG1 . . 6.000 2.892 1.794 4.040 . 0 0 "[ . 1 . 2]" 6
516 1 74 VAL MG1 2 115 LEU HG . . 5.500 3.683 1.832 4.421 . 0 0 "[ . 1 . 2]" 6
517 1 115 LEU HG 2 74 VAL MG1 . . 5.500 3.602 2.487 4.496 . 0 0 "[ . 1 . 2]" 6
518 1 74 VAL MG1 2 115 LEU HA . . 5.500 3.321 2.486 3.743 . 0 0 "[ . 1 . 2]" 6
519 1 115 LEU HA 2 74 VAL MG1 . . 5.500 3.287 2.557 3.707 . 0 0 "[ . 1 . 2]" 6
520 1 74 VAL MG1 2 116 PHE H . . 3.800 2.808 2.373 3.060 . 0 0 "[ . 1 . 2]" 6
521 1 116 PHE H 2 74 VAL MG1 . . 3.800 2.746 2.160 3.005 . 0 0 "[ . 1 . 2]" 6
522 1 78 ALA HA 2 115 LEU MD2 . . 5.500 4.255 3.792 4.624 . 0 0 "[ . 1 . 2]" 6
523 1 115 LEU MD2 2 78 ALA HA . . 5.500 4.215 3.518 4.641 . 0 0 "[ . 1 . 2]" 6
524 1 79 ALA MB 2 115 LEU MD1 . . 6.000 3.009 2.092 3.772 . 0 0 "[ . 1 . 2]" 6
525 1 115 LEU MD1 2 79 ALA MB . . 6.000 3.077 2.357 3.691 . 0 0 "[ . 1 . 2]" 6
526 1 79 ALA MB 2 115 LEU MD2 . . 6.000 2.194 1.696 3.141 . 0 0 "[ . 1 . 2]" 6
527 1 115 LEU MD2 2 79 ALA MB . . 6.000 2.354 1.684 2.980 . 0 0 "[ . 1 . 2]" 6
528 1 79 ALA MB 2 98 ILE MD . . 6.000 3.265 2.732 3.730 . 0 0 "[ . 1 . 2]" 6
529 1 98 ILE MD 2 79 ALA MB . . 6.000 3.455 3.145 3.875 . 0 0 "[ . 1 . 2]" 6
530 1 79 ALA H 2 115 LEU MD2 . . 5.500 3.274 2.652 3.729 . 0 0 "[ . 1 . 2]" 6
531 1 115 LEU MD2 2 79 ALA H . . 5.500 3.349 2.434 4.037 . 0 0 "[ . 1 . 2]" 6
532 1 80 PHE HA 2 98 ILE MD . . 5.500 4.447 4.132 4.679 . 0 0 "[ . 1 . 2]" 6
533 1 98 ILE MD 2 80 PHE HA . . 5.500 4.437 4.016 4.661 . 0 0 "[ . 1 . 2]" 6
534 1 81 ALA MB 2 98 ILE MD . . 6.000 3.961 3.709 4.126 . 0 0 "[ . 1 . 2]" 6
535 1 98 ILE MD 2 81 ALA MB . . 6.000 3.928 3.672 4.069 . 0 0 "[ . 1 . 2]" 6
536 1 98 ILE MD 2 98 ILE MG . . 6.000 3.547 2.956 3.942 . 0 0 "[ . 1 . 2]" 6
537 1 98 ILE MG 2 98 ILE MD . . 6.000 3.651 3.105 4.014 . 0 0 "[ . 1 . 2]" 6
538 1 100 HIS HD2 2 115 LEU MD2 . . 5.500 3.906 2.267 4.489 . 0 0 "[ . 1 . 2]" 6
539 1 115 LEU MD2 2 100 HIS HD2 . . 5.500 3.745 2.553 4.426 . 0 0 "[ . 1 . 2]" 6
stop_
save_
save_distance_constraint_statistics_7
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 7
_Distance_constraint_stats_list.Constraint_count 16
_Distance_constraint_stats_list.Viol_count 96
_Distance_constraint_stats_list.Viol_total 17.636
_Distance_constraint_stats_list.Viol_max 0.041
_Distance_constraint_stats_list.Viol_rms 0.0061
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0028
_Distance_constraint_stats_list.Viol_average_violations_only 0.0092
_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 22 ASP 0.008 0.003 12 0 "[ . 1 . 2]"
1 23 LEU 0.052 0.017 14 0 "[ . 1 . 2]"
1 24 ASP 0.108 0.015 14 0 "[ . 1 . 2]"
1 25 GLY 0.262 0.031 13 0 "[ . 1 . 2]"
1 26 ILE 0.008 0.003 12 0 "[ . 1 . 2]"
1 27 VAL 0.052 0.017 14 0 "[ . 1 . 2]"
1 28 ALA 0.108 0.015 14 0 "[ . 1 . 2]"
1 29 LEU 0.262 0.031 13 0 "[ . 1 . 2]"
2 22 ASP 0.011 0.008 18 0 "[ . 1 . 2]"
2 23 LEU 0.066 0.022 5 0 "[ . 1 . 2]"
2 24 ASP 0.102 0.016 6 0 "[ . 1 . 2]"
2 25 GLY 0.273 0.041 6 0 "[ . 1 . 2]"
2 26 ILE 0.011 0.008 18 0 "[ . 1 . 2]"
2 27 VAL 0.066 0.022 5 0 "[ . 1 . 2]"
2 28 ALA 0.102 0.016 6 0 "[ . 1 . 2]"
2 29 LEU 0.273 0.041 6 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 22 ASP O 1 26 ILE H . . 2.000 1.860 1.787 2.003 0.003 12 0 "[ . 1 . 2]" 7
2 2 22 ASP O 2 26 ILE H . . 2.000 1.847 1.775 2.008 0.008 18 0 "[ . 1 . 2]" 7
3 1 22 ASP O 1 26 ILE N . . 3.000 2.794 2.693 2.994 . 0 0 "[ . 1 . 2]" 7
4 2 22 ASP O 2 26 ILE N . . 3.000 2.776 2.690 2.980 . 0 0 "[ . 1 . 2]" 7
5 1 23 LEU O 1 27 VAL H . . 2.000 1.930 1.790 2.017 0.017 14 0 "[ . 1 . 2]" 7
6 2 23 LEU O 2 27 VAL H . . 2.000 1.914 1.791 2.022 0.022 5 0 "[ . 1 . 2]" 7
7 1 23 LEU O 1 27 VAL N . . 3.000 2.831 2.679 2.984 . 0 0 "[ . 1 . 2]" 7
8 2 23 LEU O 2 27 VAL N . . 3.000 2.832 2.693 3.003 0.003 2 0 "[ . 1 . 2]" 7
9 1 24 ASP O 1 28 ALA H . . 2.000 1.999 1.904 2.015 0.015 14 0 "[ . 1 . 2]" 7
10 2 24 ASP O 2 28 ALA H . . 2.000 2.003 1.978 2.016 0.016 6 0 "[ . 1 . 2]" 7
11 1 24 ASP O 1 28 ALA N . . 3.000 2.771 2.695 2.941 . 0 0 "[ . 1 . 2]" 7
12 2 24 ASP O 2 28 ALA N . . 3.000 2.806 2.693 2.945 . 0 0 "[ . 1 . 2]" 7
13 1 25 GLY O 1 29 LEU H . . 2.000 2.013 2.003 2.031 0.031 13 0 "[ . 1 . 2]" 7
14 2 25 GLY O 2 29 LEU H . . 2.000 2.014 1.998 2.041 0.041 6 0 "[ . 1 . 2]" 7
15 1 25 GLY O 1 29 LEU N . . 3.000 2.680 2.648 2.695 . 0 0 "[ . 1 . 2]" 7
16 2 25 GLY O 2 29 LEU N . . 3.000 2.673 2.621 2.697 . 0 0 "[ . 1 . 2]" 7
stop_
save_
save_distance_constraint_statistics_8
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 8
_Distance_constraint_stats_list.Constraint_count 132
_Distance_constraint_stats_list.Viol_count 848
_Distance_constraint_stats_list.Viol_total 408.296
_Distance_constraint_stats_list.Viol_max 0.178
_Distance_constraint_stats_list.Viol_rms 0.0195
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0077
_Distance_constraint_stats_list.Viol_average_violations_only 0.0241
_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 64 ALA 0.196 0.031 14 0 "[ . 1 . 2]"
1 66 GLU 0.675 0.061 8 0 "[ . 1 . 2]"
1 70 GLU 1.969 0.178 11 0 "[ . 1 . 2]"
1 72 ARG 0.126 0.031 19 0 "[ . 1 . 2]"
1 74 VAL 0.249 0.104 19 0 "[ . 1 . 2]"
1 76 ASN 0.243 0.040 19 0 "[ . 1 . 2]"
1 77 GLU 0.249 0.104 19 0 "[ . 1 . 2]"
1 78 ALA 0.338 0.053 10 0 "[ . 1 . 2]"
1 79 ALA 0.126 0.031 19 0 "[ . 1 . 2]"
1 80 PHE 0.500 0.055 15 0 "[ . 1 . 2]"
1 81 ALA 1.969 0.178 11 0 "[ . 1 . 2]"
1 82 PHE 1.910 0.153 14 0 "[ . 1 . 2]"
1 83 THR 0.675 0.061 8 0 "[ . 1 . 2]"
1 84 VAL 0.303 0.064 9 0 "[ . 1 . 2]"
1 85 SER 0.196 0.031 14 0 "[ . 1 . 2]"
1 86 PHE 0.580 0.070 13 0 "[ . 1 . 2]"
1 88 TYR 0.450 0.032 9 0 "[ . 1 . 2]"
1 91 ARG 0.450 0.032 9 0 "[ . 1 . 2]"
1 92 LYS 0.359 0.061 4 0 "[ . 1 . 2]"
1 93 THR 0.580 0.070 13 0 "[ . 1 . 2]"
1 94 VAL 0.159 0.020 5 0 "[ . 1 . 2]"
1 95 VAL 0.303 0.064 9 0 "[ . 1 . 2]"
1 96 ALA 0.399 0.058 17 0 "[ . 1 . 2]"
1 97 PRO 1.910 0.153 14 0 "[ . 1 . 2]"
1 98 ILE 0.381 0.050 10 0 "[ . 1 . 2]"
1 99 ASP 0.500 0.055 15 0 "[ . 1 . 2]"
1 100 HIS 0.095 0.014 4 0 "[ . 1 . 2]"
1 101 PHE 0.338 0.053 10 0 "[ . 1 . 2]"
1 102 ARG 0.100 0.020 15 0 "[ . 1 . 2]"
1 103 PHE 0.243 0.040 19 0 "[ . 1 . 2]"
1 104 ASN 1.030 0.093 9 0 "[ . 1 . 2]"
1 108 LYS 1.030 0.093 9 0 "[ . 1 . 2]"
1 111 SER 0.100 0.020 15 0 "[ . 1 . 2]"
1 113 ARG 0.095 0.014 4 0 "[ . 1 . 2]"
1 115 LEU 0.381 0.050 10 0 "[ . 1 . 2]"
1 120 ASN 0.399 0.058 17 0 "[ . 1 . 2]"
1 122 HIS 0.159 0.020 5 0 "[ . 1 . 2]"
1 124 GLY 0.359 0.061 4 0 "[ . 1 . 2]"
2 64 ALA 0.333 0.061 11 0 "[ . 1 . 2]"
2 66 GLU 0.531 0.079 20 0 "[ . 1 . 2]"
2 70 GLU 2.366 0.175 1 0 "[ . 1 . 2]"
2 72 ARG 0.072 0.018 9 0 "[ . 1 . 2]"
2 74 VAL 0.319 0.050 7 0 "[ . 1 . 2]"
2 76 ASN 0.363 0.091 6 0 "[ . 1 . 2]"
2 77 GLU 0.319 0.050 7 0 "[ . 1 . 2]"
2 78 ALA 0.259 0.051 6 0 "[ . 1 . 2]"
2 79 ALA 0.072 0.018 9 0 "[ . 1 . 2]"
2 80 PHE 0.488 0.072 13 0 "[ . 1 . 2]"
2 81 ALA 2.366 0.175 1 0 "[ . 1 . 2]"
2 82 PHE 1.959 0.118 13 0 "[ . 1 . 2]"
2 83 THR 0.531 0.079 20 0 "[ . 1 . 2]"
2 84 VAL 0.257 0.061 6 0 "[ . 1 . 2]"
2 85 SER 0.333 0.061 11 0 "[ . 1 . 2]"
2 86 PHE 0.368 0.053 4 0 "[ . 1 . 2]"
2 88 TYR 0.459 0.064 5 0 "[ . 1 . 2]"
2 91 ARG 0.459 0.064 5 0 "[ . 1 . 2]"
2 92 LYS 0.212 0.028 19 0 "[ . 1 . 2]"
2 93 THR 0.368 0.053 4 0 "[ . 1 . 2]"
2 94 VAL 0.217 0.038 20 0 "[ . 1 . 2]"
2 95 VAL 0.257 0.061 6 0 "[ . 1 . 2]"
2 96 ALA 0.593 0.060 11 0 "[ . 1 . 2]"
2 97 PRO 1.959 0.118 13 0 "[ . 1 . 2]"
2 98 ILE 0.295 0.053 19 0 "[ . 1 . 2]"
2 99 ASP 0.488 0.072 13 0 "[ . 1 . 2]"
2 100 HIS 0.064 0.019 19 0 "[ . 1 . 2]"
2 101 PHE 0.259 0.051 6 0 "[ . 1 . 2]"
2 102 ARG 0.122 0.034 6 0 "[ . 1 . 2]"
2 103 PHE 0.363 0.091 6 0 "[ . 1 . 2]"
2 104 ASN 1.077 0.120 3 0 "[ . 1 . 2]"
2 108 LYS 1.077 0.120 3 0 "[ . 1 . 2]"
2 111 SER 0.122 0.034 6 0 "[ . 1 . 2]"
2 113 ARG 0.064 0.019 19 0 "[ . 1 . 2]"
2 115 LEU 0.295 0.053 19 0 "[ . 1 . 2]"
2 120 ASN 0.593 0.060 11 0 "[ . 1 . 2]"
2 122 HIS 0.217 0.038 20 0 "[ . 1 . 2]"
2 124 GLY 0.212 0.028 19 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 64 ALA H 1 85 SER O . . 2.000 1.934 1.783 2.028 0.028 6 0 "[ . 1 . 2]" 8
2 2 64 ALA H 2 85 SER O . . 2.000 1.972 1.845 2.045 0.045 8 0 "[ . 1 . 2]" 8
3 1 64 ALA N 1 85 SER O . . 3.000 2.784 2.662 2.947 . 0 0 "[ . 1 . 2]" 8
4 2 64 ALA N 2 85 SER O . . 3.000 2.750 2.654 2.879 . 0 0 "[ . 1 . 2]" 8
5 1 64 ALA O 1 85 SER H . . 2.000 1.971 1.852 2.031 0.031 14 0 "[ . 1 . 2]" 8
6 2 64 ALA O 2 85 SER H . . 2.000 1.991 1.841 2.061 0.061 11 0 "[ . 1 . 2]" 8
7 1 64 ALA O 1 85 SER N . . 3.000 2.904 2.656 2.994 . 0 0 "[ . 1 . 2]" 8
8 2 64 ALA O 2 85 SER N . . 3.000 2.941 2.685 3.006 0.006 2 0 "[ . 1 . 2]" 8
9 1 66 GLU H 1 83 THR O . . 2.000 2.030 2.005 2.061 0.061 8 0 "[ . 1 . 2]" 8
10 2 66 GLU H 2 83 THR O . . 2.000 2.024 1.999 2.079 0.079 20 0 "[ . 1 . 2]" 8
11 1 66 GLU N 1 83 THR O . . 3.000 2.968 2.917 3.017 0.017 10 0 "[ . 1 . 2]" 8
12 2 66 GLU N 2 83 THR O . . 3.000 2.953 2.841 2.998 . 0 0 "[ . 1 . 2]" 8
13 1 66 GLU O 1 83 THR H . . 2.000 1.839 1.767 2.022 0.022 15 0 "[ . 1 . 2]" 8
14 2 66 GLU O 2 83 THR H . . 2.000 1.883 1.764 2.020 0.020 16 0 "[ . 1 . 2]" 8
15 1 66 GLU O 1 83 THR N . . 3.000 2.804 2.714 2.980 . 0 0 "[ . 1 . 2]" 8
16 2 66 GLU O 2 83 THR N . . 3.000 2.848 2.733 3.006 0.006 6 0 "[ . 1 . 2]" 8
17 1 70 GLU O 1 81 ALA H . . 2.000 2.082 2.018 2.178 0.178 11 0 "[ . 1 . 2]" 8
18 2 70 GLU O 2 81 ALA H . . 2.000 2.091 2.027 2.175 0.175 1 0 "[ . 1 . 2]" 8
19 1 70 GLU O 1 81 ALA N . . 3.000 2.981 2.828 3.094 0.094 1 0 "[ . 1 . 2]" 8
20 2 70 GLU O 2 81 ALA N . . 3.000 2.994 2.853 3.134 0.134 1 0 "[ . 1 . 2]" 8
21 1 72 ARG H 1 79 ALA O . . 2.000 1.897 1.764 2.026 0.026 2 0 "[ . 1 . 2]" 8
22 2 72 ARG H 2 79 ALA O . . 2.000 1.871 1.770 2.016 0.016 3 0 "[ . 1 . 2]" 8
23 1 72 ARG N 1 79 ALA O . . 3.000 2.763 2.638 2.951 . 0 0 "[ . 1 . 2]" 8
24 2 72 ARG N 2 79 ALA O . . 3.000 2.752 2.675 2.873 . 0 0 "[ . 1 . 2]" 8
25 1 72 ARG O 1 79 ALA H . . 2.000 1.842 1.763 2.031 0.031 19 0 "[ . 1 . 2]" 8
26 2 72 ARG O 2 79 ALA H . . 2.000 1.868 1.768 2.018 0.018 9 0 "[ . 1 . 2]" 8
27 1 72 ARG O 1 79 ALA N . . 3.000 2.793 2.684 2.985 . 0 0 "[ . 1 . 2]" 8
28 2 72 ARG O 2 79 ALA N . . 3.000 2.831 2.689 2.993 . 0 0 "[ . 1 . 2]" 8
29 1 74 VAL H 1 77 GLU O . . 2.000 1.845 1.760 2.008 0.008 15 0 "[ . 1 . 2]" 8
30 2 74 VAL H 2 77 GLU O . . 2.000 1.839 1.771 2.022 0.022 9 0 "[ . 1 . 2]" 8
31 1 74 VAL N 1 77 GLU O . . 3.000 2.744 2.690 2.854 . 0 0 "[ . 1 . 2]" 8
32 2 74 VAL N 2 77 GLU O . . 3.000 2.710 2.661 2.787 . 0 0 "[ . 1 . 2]" 8
33 1 74 VAL O 1 77 GLU H . . 2.000 1.972 1.786 2.104 0.104 19 0 "[ . 1 . 2]" 8
34 2 74 VAL O 2 77 GLU H . . 2.000 1.992 1.780 2.050 0.050 7 0 "[ . 1 . 2]" 8
35 1 74 VAL O 1 77 GLU N . . 3.000 2.863 2.701 3.013 0.013 19 0 "[ . 1 . 2]" 8
36 2 74 VAL O 2 77 GLU N . . 3.000 2.824 2.638 3.002 0.002 7 0 "[ . 1 . 2]" 8
37 1 76 ASN O 1 103 PHE H . . 2.000 1.997 1.811 2.040 0.040 19 0 "[ . 1 . 2]" 8
38 2 76 ASN O 2 103 PHE H . . 2.000 1.987 1.788 2.091 0.091 6 0 "[ . 1 . 2]" 8
39 1 76 ASN O 1 103 PHE N . . 3.000 2.831 2.689 2.994 . 0 0 "[ . 1 . 2]" 8
40 2 76 ASN O 2 103 PHE N . . 3.000 2.891 2.729 3.011 0.011 1 0 "[ . 1 . 2]" 8
41 1 78 ALA H 1 101 PHE O . . 2.000 1.997 1.911 2.024 0.024 11 0 "[ . 1 . 2]" 8
42 2 78 ALA H 2 101 PHE O . . 2.000 1.965 1.789 2.030 0.030 14 0 "[ . 1 . 2]" 8
43 1 78 ALA N 1 101 PHE O . . 3.000 2.808 2.691 2.942 . 0 0 "[ . 1 . 2]" 8
44 2 78 ALA N 2 101 PHE O . . 3.000 2.815 2.683 2.971 . 0 0 "[ . 1 . 2]" 8
45 1 78 ALA O 1 101 PHE H . . 2.000 1.895 1.777 2.053 0.053 10 0 "[ . 1 . 2]" 8
46 2 78 ALA O 2 101 PHE H . . 2.000 1.934 1.784 2.051 0.051 6 0 "[ . 1 . 2]" 8
47 1 78 ALA O 1 101 PHE N . . 3.000 2.826 2.686 2.979 . 0 0 "[ . 1 . 2]" 8
48 2 78 ALA O 2 101 PHE N . . 3.000 2.866 2.701 2.984 . 0 0 "[ . 1 . 2]" 8
49 1 80 PHE H 1 99 ASP O . . 2.000 1.999 1.835 2.055 0.055 15 0 "[ . 1 . 2]" 8
50 2 80 PHE H 2 99 ASP O . . 2.000 2.009 1.862 2.072 0.072 13 0 "[ . 1 . 2]" 8
51 1 80 PHE N 1 99 ASP O . . 3.000 2.818 2.726 2.905 . 0 0 "[ . 1 . 2]" 8
52 2 80 PHE N 2 99 ASP O . . 3.000 2.790 2.736 2.914 . 0 0 "[ . 1 . 2]" 8
53 1 80 PHE O 1 99 ASP H . . 2.000 1.964 1.792 2.043 0.043 2 0 "[ . 1 . 2]" 8
54 2 80 PHE O 2 99 ASP H . . 2.000 1.973 1.795 2.032 0.032 2 0 "[ . 1 . 2]" 8
55 1 80 PHE O 1 99 ASP N . . 3.000 2.757 2.681 2.989 . 0 0 "[ . 1 . 2]" 8
56 2 80 PHE O 2 99 ASP N . . 3.000 2.730 2.677 2.837 . 0 0 "[ . 1 . 2]" 8
57 1 82 PHE H 1 97 PRO O . . 2.000 2.078 2.035 2.153 0.153 14 0 "[ . 1 . 2]" 8
58 2 82 PHE H 2 97 PRO O . . 2.000 2.077 2.017 2.118 0.118 13 0 "[ . 1 . 2]" 8
59 1 82 PHE N 1 97 PRO O . . 3.000 2.996 2.857 3.084 0.084 10 0 "[ . 1 . 2]" 8
60 2 82 PHE N 2 97 PRO O . . 3.000 3.015 2.889 3.088 0.088 19 0 "[ . 1 . 2]" 8
61 1 84 VAL H 1 95 VAL O . . 2.000 1.825 1.751 1.981 . 0 0 "[ . 1 . 2]" 8
62 2 84 VAL H 2 95 VAL O . . 2.000 1.817 1.751 1.997 . 0 0 "[ . 1 . 2]" 8
63 1 84 VAL N 1 95 VAL O . . 3.000 2.649 2.538 2.708 . 0 0 "[ . 1 . 2]" 8
64 2 84 VAL N 2 95 VAL O . . 3.000 2.654 2.550 2.696 . 0 0 "[ . 1 . 2]" 8
65 1 84 VAL O 1 95 VAL H . . 2.000 1.949 1.768 2.064 0.064 9 0 "[ . 1 . 2]" 8
66 2 84 VAL O 2 95 VAL H . . 2.000 1.986 1.796 2.061 0.061 6 0 "[ . 1 . 2]" 8
67 1 84 VAL O 1 95 VAL N . . 3.000 2.826 2.654 2.984 . 0 0 "[ . 1 . 2]" 8
68 2 84 VAL O 2 95 VAL N . . 3.000 2.869 2.735 2.944 . 0 0 "[ . 1 . 2]" 8
69 1 86 PHE H 1 93 THR O . . 2.000 1.986 1.860 2.040 0.040 14 0 "[ . 1 . 2]" 8
70 2 86 PHE H 2 93 THR O . . 2.000 1.969 1.817 2.026 0.026 4 0 "[ . 1 . 2]" 8
71 1 86 PHE N 1 93 THR O . . 3.000 2.929 2.692 3.024 0.024 8 0 "[ . 1 . 2]" 8
72 2 86 PHE N 2 93 THR O . . 3.000 2.908 2.696 3.008 0.008 16 0 "[ . 1 . 2]" 8
73 1 86 PHE O 1 93 THR H . . 2.000 2.016 1.984 2.070 0.070 13 0 "[ . 1 . 2]" 8
74 2 86 PHE O 2 93 THR H . . 2.000 1.999 1.847 2.053 0.053 4 0 "[ . 1 . 2]" 8
75 1 86 PHE O 1 93 THR N . . 3.000 2.925 2.764 3.005 0.005 8 0 "[ . 1 . 2]" 8
76 2 86 PHE O 2 93 THR N . . 3.000 2.870 2.745 3.015 0.015 11 0 "[ . 1 . 2]" 8
77 1 88 TYR O 1 91 ARG H . . 2.000 2.003 1.801 2.032 0.032 9 0 "[ . 1 . 2]" 8
78 2 88 TYR O 2 91 ARG H . . 2.000 2.002 1.812 2.064 0.064 5 0 "[ . 1 . 2]" 8
79 1 88 TYR O 1 91 ARG N . . 3.000 2.841 2.694 3.012 0.012 6 0 "[ . 1 . 2]" 8
80 2 88 TYR O 2 91 ARG N . . 3.000 2.897 2.690 3.016 0.016 8 0 "[ . 1 . 2]" 8
81 1 88 TYR H 1 91 ARG O . . 2.000 1.973 1.794 2.030 0.030 13 0 "[ . 1 . 2]" 8
82 2 88 TYR H 2 91 ARG O . . 2.000 1.958 1.795 2.021 0.021 8 0 "[ . 1 . 2]" 8
83 1 88 TYR N 1 91 ARG O . . 3.000 2.772 2.658 2.936 . 0 0 "[ . 1 . 2]" 8
84 2 88 TYR N 2 91 ARG O . . 3.000 2.796 2.680 2.999 . 0 0 "[ . 1 . 2]" 8
85 1 102 ARG H 1 111 SER O . . 2.000 1.948 1.780 2.020 0.020 15 0 "[ . 1 . 2]" 8
86 2 102 ARG H 2 111 SER O . . 2.000 1.951 1.798 2.034 0.034 6 0 "[ . 1 . 2]" 8
87 1 102 ARG N 1 111 SER O . . 3.000 2.831 2.692 3.002 0.002 16 0 "[ . 1 . 2]" 8
88 2 102 ARG N 2 111 SER O . . 3.000 2.851 2.677 3.004 0.004 8 0 "[ . 1 . 2]" 8
89 1 100 HIS O 1 113 ARG H . . 2.000 1.954 1.788 2.014 0.014 4 0 "[ . 1 . 2]" 8
90 2 100 HIS O 2 113 ARG H . . 2.000 1.922 1.790 2.019 0.019 19 0 "[ . 1 . 2]" 8
91 1 100 HIS O 1 113 ARG N . . 3.000 2.907 2.707 3.007 0.007 4 0 "[ . 1 . 2]" 8
92 2 100 HIS O 2 113 ARG N . . 3.000 2.856 2.689 3.002 0.002 14 0 "[ . 1 . 2]" 8
93 1 104 ASN O 1 108 LYS H . . 2.000 2.017 1.826 2.093 0.093 9 0 "[ . 1 . 2]" 8
94 2 104 ASN O 2 108 LYS H . . 2.000 2.016 1.887 2.113 0.113 17 0 "[ . 1 . 2]" 8
95 1 104 ASN O 1 108 LYS N . . 3.000 2.850 2.671 3.044 0.044 19 0 "[ . 1 . 2]" 8
96 2 104 ASN O 2 108 LYS N . . 3.000 2.936 2.760 3.097 0.097 1 0 "[ . 1 . 2]" 8
97 1 104 ASN H 1 108 LYS O . . 2.000 1.951 1.788 2.069 0.069 17 0 "[ . 1 . 2]" 8
98 2 104 ASN H 2 108 LYS O . . 2.000 1.974 1.796 2.120 0.120 3 0 "[ . 1 . 2]" 8
99 1 104 ASN N 1 108 LYS O . . 3.000 2.862 2.691 3.028 0.028 15 0 "[ . 1 . 2]" 8
100 2 104 ASN N 2 108 LYS O . . 3.000 2.846 2.567 3.012 0.012 2 0 "[ . 1 . 2]" 8
101 1 100 HIS H 1 113 ARG O . . 2.000 1.841 1.780 2.010 0.010 11 0 "[ . 1 . 2]" 8
102 2 100 HIS H 2 113 ARG O . . 2.000 1.853 1.780 2.005 0.005 4 0 "[ . 1 . 2]" 8
103 1 100 HIS N 1 113 ARG O . . 3.000 2.732 2.663 2.983 . 0 0 "[ . 1 . 2]" 8
104 2 100 HIS N 2 113 ARG O . . 3.000 2.756 2.671 2.970 . 0 0 "[ . 1 . 2]" 8
105 1 98 ILE O 1 115 LEU H . . 2.000 1.979 1.807 2.050 0.050 10 0 "[ . 1 . 2]" 8
106 2 98 ILE O 2 115 LEU H . . 2.000 1.977 1.795 2.053 0.053 19 0 "[ . 1 . 2]" 8
107 1 98 ILE O 1 115 LEU N . . 3.000 2.745 2.620 2.971 . 0 0 "[ . 1 . 2]" 8
108 2 98 ILE O 2 115 LEU N . . 3.000 2.710 2.631 2.891 . 0 0 "[ . 1 . 2]" 8
109 1 98 ILE H 1 115 LEU O . . 2.000 1.935 1.771 2.019 0.019 7 0 "[ . 1 . 2]" 8
110 2 98 ILE H 2 115 LEU O . . 2.000 1.934 1.773 2.021 0.021 20 0 "[ . 1 . 2]" 8
111 1 98 ILE N 1 115 LEU O . . 3.000 2.873 2.716 3.003 0.003 11 0 "[ . 1 . 2]" 8
112 2 98 ILE N 2 115 LEU O . . 3.000 2.879 2.733 2.994 . 0 0 "[ . 1 . 2]" 8
113 1 96 ALA H 1 120 ASN O . . 2.000 2.017 1.966 2.058 0.058 17 0 "[ . 1 . 2]" 8
114 2 96 ALA H 2 120 ASN O . . 2.000 2.030 2.004 2.060 0.060 11 0 "[ . 1 . 2]" 8
115 1 96 ALA N 1 120 ASN O . . 3.000 2.729 2.689 2.894 . 0 0 "[ . 1 . 2]" 8
116 2 96 ALA N 2 120 ASN O . . 3.000 2.723 2.666 2.864 . 0 0 "[ . 1 . 2]" 8
117 1 94 VAL O 1 122 HIS H . . 2.000 1.972 1.876 2.020 0.020 5 0 "[ . 1 . 2]" 8
118 2 94 VAL O 2 122 HIS H . . 2.000 1.944 1.778 2.037 0.037 20 0 "[ . 1 . 2]" 8
119 1 94 VAL O 1 122 HIS N . . 3.000 2.809 2.655 2.923 . 0 0 "[ . 1 . 2]" 8
120 2 94 VAL O 2 122 HIS N . . 3.000 2.768 2.643 2.884 . 0 0 "[ . 1 . 2]" 8
121 1 94 VAL H 1 122 HIS O . . 2.000 1.982 1.859 2.018 0.018 5 0 "[ . 1 . 2]" 8
122 2 94 VAL H 2 122 HIS O . . 2.000 1.976 1.798 2.038 0.038 20 0 "[ . 1 . 2]" 8
123 1 94 VAL N 1 122 HIS O . . 3.000 2.848 2.680 2.977 . 0 0 "[ . 1 . 2]" 8
124 2 94 VAL N 2 122 HIS O . . 3.000 2.826 2.654 2.943 . 0 0 "[ . 1 . 2]" 8
125 1 92 LYS O 1 124 GLY H . . 2.000 1.988 1.886 2.020 0.020 10 0 "[ . 1 . 2]" 8
126 2 92 LYS O 2 124 GLY H . . 2.000 1.964 1.843 2.019 0.019 19 0 "[ . 1 . 2]" 8
127 1 92 LYS O 1 124 GLY N . . 3.000 2.725 2.654 2.927 . 0 0 "[ . 1 . 2]" 8
128 2 92 LYS O 2 124 GLY N . . 3.000 2.741 2.669 2.898 . 0 0 "[ . 1 . 2]" 8
129 1 92 LYS H 1 124 GLY O . . 2.000 2.011 1.951 2.061 0.061 4 0 "[ . 1 . 2]" 8
130 2 92 LYS H 2 124 GLY O . . 2.000 2.006 1.974 2.028 0.028 19 0 "[ . 1 . 2]" 8
131 1 92 LYS N 1 124 GLY O . . 3.000 2.815 2.661 2.970 . 0 0 "[ . 1 . 2]" 8
132 2 92 LYS N 2 124 GLY O . . 3.000 2.813 2.693 2.973 . 0 0 "[ . 1 . 2]" 8
stop_
save_
save_distance_constraint_statistics_9
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 9
_Distance_constraint_stats_list.Constraint_count 8
_Distance_constraint_stats_list.Viol_count 115
_Distance_constraint_stats_list.Viol_total 40.342
_Distance_constraint_stats_list.Viol_max 0.117
_Distance_constraint_stats_list.Viol_rms 0.0176
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0126
_Distance_constraint_stats_list.Viol_average_violations_only 0.0175
_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 35 THR 0.263 0.035 19 0 "[ . 1 . 2]"
1 37 GLU 0.464 0.050 20 0 "[ . 1 . 2]"
1 110 VAL 0.127 0.030 14 0 "[ . 1 . 2]"
1 112 MET 0.302 0.042 9 0 "[ . 1 . 2]"
1 114 ALA 0.298 0.050 20 0 "[ . 1 . 2]"
2 35 THR 0.414 0.046 19 0 "[ . 1 . 2]"
2 37 GLU 0.876 0.117 14 0 "[ . 1 . 2]"
2 110 VAL 0.297 0.046 19 0 "[ . 1 . 2]"
2 112 MET 0.423 0.117 14 0 "[ . 1 . 2]"
2 114 ALA 0.570 0.112 8 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 35 THR H 1 110 VAL O . . 2.000 1.969 1.792 2.030 0.030 14 0 "[ . 1 . 2]" 9
2 2 35 THR H 2 110 VAL O . . 2.000 1.993 1.773 2.046 0.046 19 0 "[ . 1 . 2]" 9
3 1 35 THR O 1 112 MET H . . 2.000 1.951 1.788 2.035 0.035 19 0 "[ . 1 . 2]" 9
4 2 35 THR O 2 112 MET H . . 2.000 1.918 1.784 2.030 0.030 19 0 "[ . 1 . 2]" 9
5 1 37 GLU H 1 112 MET O . . 2.000 1.985 1.834 2.042 0.042 9 0 "[ . 1 . 2]" 9
6 2 37 GLU H 2 112 MET O . . 2.000 2.001 1.871 2.117 0.117 14 0 "[ . 1 . 2]" 9
7 1 37 GLU O 1 114 ALA H . . 2.000 2.014 1.980 2.050 0.050 20 0 "[ . 1 . 2]" 9
8 2 37 GLU O 2 114 ALA H . . 2.000 2.018 1.790 2.112 0.112 8 0 "[ . 1 . 2]" 9
stop_
save_
save_distance_constraint_statistics_10
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 10
_Distance_constraint_stats_list.Constraint_count 44
_Distance_constraint_stats_list.Viol_count 200
_Distance_constraint_stats_list.Viol_total 22.118
_Distance_constraint_stats_list.Viol_max 0.022
_Distance_constraint_stats_list.Viol_rms 0.0031
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0013
_Distance_constraint_stats_list.Viol_average_violations_only 0.0055
_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 47 GLY 0.002 0.002 6 0 "[ . 1 . 2]"
1 48 THR 0.040 0.008 19 0 "[ . 1 . 2]"
1 49 ALA 0.049 0.011 13 0 "[ . 1 . 2]"
1 50 ALA 0.029 0.006 6 0 "[ . 1 . 2]"
1 51 ILE 0.051 0.009 17 0 "[ . 1 . 2]"
1 52 ARG 0.055 0.008 19 0 "[ . 1 . 2]"
1 53 GLU 0.141 0.012 14 0 "[ . 1 . 2]"
1 54 PHE 0.083 0.013 13 0 "[ . 1 . 2]"
1 55 TYR 0.058 0.009 17 0 "[ . 1 . 2]"
1 56 ALA 0.138 0.022 2 0 "[ . 1 . 2]"
1 57 ASN 0.091 0.012 14 0 "[ . 1 . 2]"
1 58 SER 0.142 0.013 13 0 "[ . 1 . 2]"
1 59 LEU 0.009 0.006 12 0 "[ . 1 . 2]"
1 60 LYS 0.122 0.022 2 0 "[ . 1 . 2]"
1 61 LEU 0.088 0.008 14 0 "[ . 1 . 2]"
2 47 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
2 48 THR 0.038 0.013 14 0 "[ . 1 . 2]"
2 49 ALA 0.050 0.019 6 0 "[ . 1 . 2]"
2 50 ALA 0.055 0.012 6 0 "[ . 1 . 2]"
2 51 ILE 0.065 0.017 5 0 "[ . 1 . 2]"
2 52 ARG 0.064 0.013 14 0 "[ . 1 . 2]"
2 53 GLU 0.106 0.019 6 0 "[ . 1 . 2]"
2 54 PHE 0.110 0.018 14 0 "[ . 1 . 2]"
2 55 TYR 0.075 0.017 5 0 "[ . 1 . 2]"
2 56 ALA 0.138 0.021 5 0 "[ . 1 . 2]"
2 57 ASN 0.055 0.016 5 0 "[ . 1 . 2]"
2 58 SER 0.146 0.018 14 0 "[ . 1 . 2]"
2 59 LEU 0.010 0.008 4 0 "[ . 1 . 2]"
2 60 LYS 0.112 0.021 5 0 "[ . 1 . 2]"
2 61 LEU 0.090 0.013 20 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 47 GLY O 1 51 ILE H . . 2.000 1.814 1.772 2.002 0.002 6 0 "[ . 1 . 2]" 10
2 2 47 GLY O 2 51 ILE H . . 2.000 1.808 1.773 1.949 . 0 0 "[ . 1 . 2]" 10
3 1 47 GLY O 1 51 ILE N . . 3.000 2.774 2.682 2.988 . 0 0 "[ . 1 . 2]" 10
4 2 47 GLY O 2 51 ILE N . . 3.000 2.756 2.686 2.860 . 0 0 "[ . 1 . 2]" 10
5 1 48 THR O 1 52 ARG H . . 2.000 1.915 1.794 2.008 0.008 19 0 "[ . 1 . 2]" 10
6 2 48 THR O 2 52 ARG H . . 2.000 1.923 1.784 2.013 0.013 14 0 "[ . 1 . 2]" 10
7 1 48 THR O 1 52 ARG N . . 3.000 2.796 2.693 2.984 . 0 0 "[ . 1 . 2]" 10
8 2 48 THR O 2 52 ARG N . . 3.000 2.830 2.697 2.985 . 0 0 "[ . 1 . 2]" 10
9 1 49 ALA O 1 53 GLU H . . 2.000 1.934 1.790 2.011 0.011 13 0 "[ . 1 . 2]" 10
10 2 49 ALA O 2 53 GLU H . . 2.000 1.896 1.792 2.019 0.019 6 0 "[ . 1 . 2]" 10
11 1 49 ALA O 1 53 GLU N . . 3.000 2.845 2.694 2.986 . 0 0 "[ . 1 . 2]" 10
12 2 49 ALA O 2 53 GLU N . . 3.000 2.793 2.693 2.984 . 0 0 "[ . 1 . 2]" 10
13 1 50 ALA O 1 54 PHE H . . 2.000 1.913 1.795 2.006 0.006 6 0 "[ . 1 . 2]" 10
14 2 50 ALA O 2 54 PHE H . . 2.000 1.926 1.795 2.012 0.012 6 0 "[ . 1 . 2]" 10
15 1 50 ALA O 1 54 PHE N . . 3.000 2.828 2.686 2.995 . 0 0 "[ . 1 . 2]" 10
16 2 50 ALA O 2 54 PHE N . . 3.000 2.839 2.693 3.002 0.002 6 0 "[ . 1 . 2]" 10
17 1 51 ILE O 1 55 TYR H . . 2.000 1.931 1.788 2.009 0.009 17 0 "[ . 1 . 2]" 10
18 2 51 ILE O 2 55 TYR H . . 2.000 1.914 1.777 2.017 0.017 5 0 "[ . 1 . 2]" 10
19 1 51 ILE O 1 55 TYR N . . 3.000 2.889 2.697 3.003 0.003 20 0 "[ . 1 . 2]" 10
20 2 51 ILE O 2 55 TYR N . . 3.000 2.872 2.705 3.010 0.010 5 0 "[ . 1 . 2]" 10
21 1 52 ARG O 1 56 ALA H . . 2.000 1.920 1.781 2.006 0.006 10 0 "[ . 1 . 2]" 10
22 2 52 ARG O 2 56 ALA H . . 2.000 1.925 1.765 2.013 0.013 5 0 "[ . 1 . 2]" 10
23 1 52 ARG O 1 56 ALA N . . 3.000 2.747 2.674 2.890 . 0 0 "[ . 1 . 2]" 10
24 2 52 ARG O 2 56 ALA N . . 3.000 2.747 2.678 2.912 . 0 0 "[ . 1 . 2]" 10
25 1 53 GLU O 1 57 ASN H . . 2.000 1.985 1.794 2.012 0.012 14 0 "[ . 1 . 2]" 10
26 2 53 GLU O 2 57 ASN H . . 2.000 1.968 1.800 2.016 0.016 5 0 "[ . 1 . 2]" 10
27 1 53 GLU O 1 57 ASN N . . 3.000 2.950 2.774 3.000 0.000 18 0 "[ . 1 . 2]" 10
28 2 53 GLU O 2 57 ASN N . . 3.000 2.913 2.754 2.994 . 0 0 "[ . 1 . 2]" 10
29 1 54 PHE O 1 58 SER N . . 3.000 2.811 2.678 2.966 . 0 0 "[ . 1 . 2]" 10
30 2 54 PHE O 2 58 SER N . . 3.000 2.778 2.686 2.962 . 0 0 "[ . 1 . 2]" 10
31 1 54 PHE O 1 58 SER H . . 2.000 1.954 1.835 2.013 0.013 13 0 "[ . 1 . 2]" 10
32 2 54 PHE O 2 58 SER H . . 2.000 1.928 1.813 2.018 0.018 14 0 "[ . 1 . 2]" 10
33 1 55 TYR O 1 59 LEU H . . 2.000 1.883 1.764 2.006 0.006 12 0 "[ . 1 . 2]" 10
34 2 55 TYR O 2 59 LEU H . . 2.000 1.865 1.772 2.008 0.008 4 0 "[ . 1 . 2]" 10
35 1 55 TYR O 1 59 LEU N . . 3.000 2.844 2.692 2.999 . 0 0 "[ . 1 . 2]" 10
36 2 55 TYR O 2 59 LEU N . . 3.000 2.788 2.671 2.999 . 0 0 "[ . 1 . 2]" 10
37 1 56 ALA O 1 60 LYS H . . 2.000 2.003 1.965 2.022 0.022 2 0 "[ . 1 . 2]" 10
38 2 56 ALA O 2 60 LYS H . . 2.000 1.988 1.929 2.021 0.021 5 0 "[ . 1 . 2]" 10
39 1 56 ALA O 1 60 LYS N . . 3.000 2.774 2.708 2.854 . 0 0 "[ . 1 . 2]" 10
40 2 56 ALA O 2 60 LYS N . . 3.000 2.758 2.676 2.862 . 0 0 "[ . 1 . 2]" 10
41 1 58 SER O 1 61 LEU H . . 2.000 1.965 1.821 2.008 0.008 14 0 "[ . 1 . 2]" 10
42 2 58 SER O 2 61 LEU H . . 2.000 1.983 1.832 2.013 0.013 20 0 "[ . 1 . 2]" 10
43 1 58 SER O 1 61 LEU N . . 3.000 2.959 2.807 3.004 0.004 4 0 "[ . 1 . 2]" 10
44 2 58 SER O 2 61 LEU N . . 3.000 2.979 2.822 3.008 0.008 20 0 "[ . 1 . 2]" 10
stop_
save_
save_distance_constraint_statistics_11
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 11
_Distance_constraint_stats_list.Constraint_count 64
_Distance_constraint_stats_list.Viol_count 340
_Distance_constraint_stats_list.Viol_total 103.847
_Distance_constraint_stats_list.Viol_max 0.143
_Distance_constraint_stats_list.Viol_rms 0.0125
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0041
_Distance_constraint_stats_list.Viol_average_violations_only 0.0153
_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 3 THR 0.933 0.097 12 0 "[ . 1 . 2]"
1 4 PRO 0.002 0.001 18 0 "[ . 1 . 2]"
1 5 GLU 0.358 0.060 12 0 "[ . 1 . 2]"
1 6 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 7 MET 1.433 0.097 12 0 "[ . 1 . 2]"
1 8 THR 0.155 0.050 4 0 "[ . 1 . 2]"
1 9 ALA 0.493 0.060 12 0 "[ . 1 . 2]"
1 10 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 VAL 0.581 0.072 12 0 "[ . 1 . 2]"
1 12 GLN 0.277 0.050 4 0 "[ . 1 . 2]"
1 13 ARG 0.195 0.035 13 0 "[ . 1 . 2]"
1 14 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 VAL 0.107 0.016 4 0 "[ . 1 . 2]"
1 16 ALA 0.189 0.022 5 0 "[ . 1 . 2]"
1 17 ALA 0.142 0.035 13 0 "[ . 1 . 2]"
1 18 LEU 0.031 0.019 13 0 "[ . 1 . 2]"
1 19 ASN 0.026 0.015 4 0 "[ . 1 . 2]"
1 20 ALA 0.065 0.018 13 0 "[ . 1 . 2]"
1 21 GLY 0.031 0.019 13 0 "[ . 1 . 2]"
1 22 ASP 0.082 0.019 12 0 "[ . 1 . 2]"
2 3 THR 0.891 0.143 7 0 "[ . 1 . 2]"
2 4 PRO 0.005 0.005 15 0 "[ . 1 . 2]"
2 5 GLU 0.362 0.080 7 0 "[ . 1 . 2]"
2 6 HIS 0.037 0.034 6 0 "[ . 1 . 2]"
2 7 MET 1.386 0.143 7 0 "[ . 1 . 2]"
2 8 THR 0.128 0.058 6 0 "[ . 1 . 2]"
2 9 ALA 0.474 0.080 7 0 "[ . 1 . 2]"
2 10 VAL 0.041 0.034 6 0 "[ . 1 . 2]"
2 11 VAL 0.627 0.093 6 0 "[ . 1 . 2]"
2 12 GLN 0.249 0.058 6 0 "[ . 1 . 2]"
2 13 ARG 0.174 0.033 6 0 "[ . 1 . 2]"
2 14 TYR 0.003 0.003 19 0 "[ . 1 . 2]"
2 15 VAL 0.148 0.035 6 0 "[ . 1 . 2]"
2 16 ALA 0.193 0.025 18 0 "[ . 1 . 2]"
2 17 ALA 0.204 0.033 6 0 "[ . 1 . 2]"
2 18 LEU 0.067 0.032 18 0 "[ . 1 . 2]"
2 19 ASN 0.017 0.011 7 0 "[ . 1 . 2]"
2 20 ALA 0.067 0.025 18 0 "[ . 1 . 2]"
2 21 GLY 0.067 0.032 18 0 "[ . 1 . 2]"
2 22 ASP 0.142 0.028 7 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 3 THR O 1 7 MET H . . 2.000 2.033 2.001 2.097 0.097 12 0 "[ . 1 . 2]" 11
2 2 3 THR O 2 7 MET H . . 2.000 2.031 2.001 2.143 0.143 7 0 "[ . 1 . 2]" 11
3 1 3 THR O 1 7 MET N . . 3.000 2.996 2.917 3.075 0.075 4 0 "[ . 1 . 2]" 11
4 2 3 THR O 2 7 MET N . . 3.000 2.993 2.934 3.102 0.102 7 0 "[ . 1 . 2]" 11
5 1 4 PRO O 1 8 THR H . . 2.000 1.841 1.779 2.001 0.001 18 0 "[ . 1 . 2]" 11
6 2 4 PRO O 2 8 THR H . . 2.000 1.832 1.767 2.005 0.005 15 0 "[ . 1 . 2]" 11
7 1 4 PRO O 1 8 THR N . . 3.000 2.798 2.698 2.983 . 0 0 "[ . 1 . 2]" 11
8 2 4 PRO O 2 8 THR N . . 3.000 2.787 2.692 2.958 . 0 0 "[ . 1 . 2]" 11
9 1 5 GLU O 1 9 ALA H . . 2.000 2.014 1.924 2.060 0.060 12 0 "[ . 1 . 2]" 11
10 2 5 GLU O 2 9 ALA H . . 2.000 2.015 1.951 2.080 0.080 7 0 "[ . 1 . 2]" 11
11 1 5 GLU O 1 9 ALA N . . 3.000 2.926 2.864 2.988 . 0 0 "[ . 1 . 2]" 11
12 2 5 GLU O 2 9 ALA N . . 3.000 2.925 2.867 3.011 0.011 1 0 "[ . 1 . 2]" 11
13 1 6 HIS O 1 10 VAL H . . 2.000 1.868 1.790 2.000 . 0 0 "[ . 1 . 2]" 11
14 2 6 HIS O 2 10 VAL H . . 2.000 1.901 1.789 2.034 0.034 6 0 "[ . 1 . 2]" 11
15 1 6 HIS O 1 10 VAL N . . 3.000 2.769 2.698 2.915 . 0 0 "[ . 1 . 2]" 11
16 2 6 HIS O 2 10 VAL N . . 3.000 2.795 2.695 2.946 . 0 0 "[ . 1 . 2]" 11
17 1 7 MET O 1 11 VAL H . . 2.000 2.023 2.000 2.072 0.072 12 0 "[ . 1 . 2]" 11
18 2 7 MET O 2 11 VAL H . . 2.000 2.023 2.002 2.093 0.093 6 0 "[ . 1 . 2]" 11
19 1 7 MET O 1 11 VAL N . . 3.000 2.943 2.814 3.016 0.016 4 0 "[ . 1 . 2]" 11
20 2 7 MET O 2 11 VAL N . . 3.000 2.948 2.831 3.019 0.019 6 0 "[ . 1 . 2]" 11
21 1 8 THR O 1 12 GLN H . . 2.000 1.957 1.795 2.050 0.050 4 0 "[ . 1 . 2]" 11
22 2 8 THR O 2 12 GLN H . . 2.000 1.923 1.796 2.058 0.058 6 0 "[ . 1 . 2]" 11
23 1 9 ALA O 1 13 ARG H . . 2.000 1.963 1.800 2.021 0.021 4 0 "[ . 1 . 2]" 11
24 2 9 ALA O 2 13 ARG H . . 2.000 1.938 1.797 2.029 0.029 1 0 "[ . 1 . 2]" 11
25 1 10 VAL O 1 14 TYR H . . 2.000 1.827 1.770 1.942 . 0 0 "[ . 1 . 2]" 11
26 2 10 VAL O 2 14 TYR H . . 2.000 1.850 1.789 2.003 0.003 19 0 "[ . 1 . 2]" 11
27 1 11 VAL O 1 15 VAL H . . 2.000 1.949 1.790 2.016 0.016 4 0 "[ . 1 . 2]" 11
28 2 11 VAL O 2 15 VAL H . . 2.000 1.952 1.787 2.035 0.035 6 0 "[ . 1 . 2]" 11
29 1 12 GLN O 1 16 ALA H . . 2.000 1.974 1.860 2.022 0.022 5 0 "[ . 1 . 2]" 11
30 2 12 GLN O 2 16 ALA H . . 2.000 1.988 1.842 2.023 0.023 7 0 "[ . 1 . 2]" 11
31 1 13 ARG O 1 17 ALA H . . 2.000 1.912 1.799 2.035 0.035 13 0 "[ . 1 . 2]" 11
32 2 13 ARG O 2 17 ALA H . . 2.000 1.924 1.783 2.033 0.033 6 0 "[ . 1 . 2]" 11
33 1 14 TYR O 1 18 LEU H . . 2.000 1.847 1.785 1.996 . 0 0 "[ . 1 . 2]" 11
34 2 14 TYR O 2 18 LEU H . . 2.000 1.838 1.793 1.959 . 0 0 "[ . 1 . 2]" 11
35 1 15 VAL O 1 19 ASN H . . 2.000 1.888 1.765 2.015 0.015 4 0 "[ . 1 . 2]" 11
36 2 15 VAL O 2 19 ASN H . . 2.000 1.864 1.768 2.011 0.011 7 0 "[ . 1 . 2]" 11
37 1 16 ALA O 1 20 ALA H . . 2.000 1.979 1.817 2.018 0.018 13 0 "[ . 1 . 2]" 11
38 2 16 ALA O 2 20 ALA H . . 2.000 1.980 1.806 2.025 0.025 18 0 "[ . 1 . 2]" 11
39 1 17 ALA O 1 22 ASP H . . 2.000 1.981 1.838 2.019 0.019 12 0 "[ . 1 . 2]" 11
40 2 17 ALA O 2 22 ASP H . . 2.000 1.969 1.784 2.028 0.028 7 0 "[ . 1 . 2]" 11
41 1 18 LEU O 1 21 GLY H . . 2.000 1.919 1.797 2.019 0.019 13 0 "[ . 1 . 2]" 11
42 2 18 LEU O 2 21 GLY H . . 2.000 1.911 1.793 2.032 0.032 18 0 "[ . 1 . 2]" 11
43 1 8 THR O 1 12 GLN N . . 3.000 2.888 2.712 2.991 . 0 0 "[ . 1 . 2]" 11
44 2 8 THR O 2 12 GLN N . . 3.000 2.856 2.698 3.026 0.026 6 0 "[ . 1 . 2]" 11
45 1 9 ALA O 1 13 ARG N . . 3.000 2.932 2.785 3.012 0.012 5 0 "[ . 1 . 2]" 11
46 2 9 ALA O 2 13 ARG N . . 3.000 2.911 2.771 3.014 0.014 7 0 "[ . 1 . 2]" 11
47 1 10 VAL O 1 14 TYR N . . 3.000 2.735 2.650 2.841 . 0 0 "[ . 1 . 2]" 11
48 2 10 VAL O 2 14 TYR N . . 3.000 2.755 2.663 2.902 . 0 0 "[ . 1 . 2]" 11
49 1 11 VAL O 1 15 VAL N . . 3.000 2.918 2.740 3.007 0.007 12 0 "[ . 1 . 2]" 11
50 2 11 VAL O 2 15 VAL N . . 3.000 2.918 2.735 3.019 0.019 6 0 "[ . 1 . 2]" 11
51 1 12 GLN O 1 16 ALA N . . 3.000 2.955 2.804 3.006 0.006 4 0 "[ . 1 . 2]" 11
52 2 12 GLN O 2 16 ALA N . . 3.000 2.969 2.808 3.009 0.009 7 0 "[ . 1 . 2]" 11
53 1 13 ARG O 1 17 ALA N . . 3.000 2.861 2.713 3.004 0.004 13 0 "[ . 1 . 2]" 11
54 2 13 ARG O 2 17 ALA N . . 3.000 2.876 2.697 3.005 0.005 18 0 "[ . 1 . 2]" 11
55 1 14 TYR O 1 18 LEU N . . 3.000 2.725 2.688 2.819 . 0 0 "[ . 1 . 2]" 11
56 2 14 TYR O 2 18 LEU N . . 3.000 2.715 2.673 2.815 . 0 0 "[ . 1 . 2]" 11
57 1 15 VAL O 1 19 ASN N . . 3.000 2.842 2.691 2.979 . 0 0 "[ . 1 . 2]" 11
58 2 15 VAL O 2 19 ASN N . . 3.000 2.815 2.683 2.976 . 0 0 "[ . 1 . 2]" 11
59 1 16 ALA O 1 20 ALA N . . 3.000 2.764 2.691 2.926 . 0 0 "[ . 1 . 2]" 11
60 2 16 ALA O 2 20 ALA N . . 3.000 2.764 2.686 2.911 . 0 0 "[ . 1 . 2]" 11
61 1 17 ALA O 1 22 ASP N . . 3.000 2.922 2.675 3.007 0.007 12 0 "[ . 1 . 2]" 11
62 2 17 ALA O 2 22 ASP N . . 3.000 2.927 2.696 3.012 0.012 7 0 "[ . 1 . 2]" 11
63 1 18 LEU O 1 21 GLY N . . 3.000 2.715 2.692 2.856 . 0 0 "[ . 1 . 2]" 11
64 2 18 LEU O 2 21 GLY N . . 3.000 2.729 2.690 2.902 . 0 0 "[ . 1 . 2]" 11
stop_
save_
save_distance_constraint_statistics_12
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 12
_Distance_constraint_stats_list.Constraint_count 12
_Distance_constraint_stats_list.Viol_count 79
_Distance_constraint_stats_list.Viol_total 25.031
_Distance_constraint_stats_list.Viol_max 0.073
_Distance_constraint_stats_list.Viol_rms 0.0106
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0052
_Distance_constraint_stats_list.Viol_average_violations_only 0.0158
_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 34 ALA 0.381 0.046 4 0 "[ . 1 . 2]"
1 36 VAL 0.189 0.021 7 0 "[ . 1 . 2]"
1 45 ARG 0.189 0.021 7 0 "[ . 1 . 2]"
1 47 GLY 0.381 0.046 4 0 "[ . 1 . 2]"
2 34 ALA 0.454 0.044 8 0 "[ . 1 . 2]"
2 36 VAL 0.227 0.073 14 0 "[ . 1 . 2]"
2 45 ARG 0.227 0.073 14 0 "[ . 1 . 2]"
2 47 GLY 0.454 0.044 8 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 34 ALA O 1 47 GLY H . . 2.000 2.009 1.895 2.046 0.046 4 0 "[ . 1 . 2]" 12
2 2 34 ALA O 2 47 GLY H . . 2.000 2.018 1.920 2.044 0.044 8 0 "[ . 1 . 2]" 12
3 1 34 ALA O 1 47 GLY N . . 3.000 2.942 2.833 3.005 0.005 7 0 "[ . 1 . 2]" 12
4 2 34 ALA O 2 47 GLY N . . 3.000 2.951 2.712 3.006 0.006 5 0 "[ . 1 . 2]" 12
5 1 36 VAL H 1 45 ARG O . . 2.000 1.959 1.794 2.021 0.021 7 0 "[ . 1 . 2]" 12
6 2 36 VAL H 2 45 ARG O . . 2.000 1.954 1.793 2.073 0.073 14 0 "[ . 1 . 2]" 12
7 1 36 VAL N 1 45 ARG O . . 3.000 2.774 2.668 2.948 . 0 0 "[ . 1 . 2]" 12
8 2 36 VAL N 2 45 ARG O . . 3.000 2.752 2.640 2.947 . 0 0 "[ . 1 . 2]" 12
9 1 36 VAL O 1 45 ARG H . . 2.000 1.927 1.790 2.019 0.019 12 0 "[ . 1 . 2]" 12
10 2 36 VAL O 2 45 ARG H . . 2.000 1.911 1.777 2.017 0.017 13 0 "[ . 1 . 2]" 12
11 1 36 VAL O 1 45 ARG N . . 3.000 2.724 2.653 2.926 . 0 0 "[ . 1 . 2]" 12
12 2 36 VAL O 2 45 ARG N . . 3.000 2.708 2.655 2.837 . 0 0 "[ . 1 . 2]" 12
stop_
save_
Contact the webmaster for help, if required. Saturday, May 18, 2024 1:14:45 AM GMT (wattos1)