NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
394078 |
1r2a   |
4473 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1r2a
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 355
_Distance_constraint_stats_list.Viol_count 537
_Distance_constraint_stats_list.Viol_total 786.010
_Distance_constraint_stats_list.Viol_max 0.393
_Distance_constraint_stats_list.Viol_rms 0.0376
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0077
_Distance_constraint_stats_list.Viol_average_violations_only 0.0861
_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 2 MET 0.000 0.000 . 0 "[ . 1 . ]"
1 3 GLY 0.000 0.000 . 0 "[ . 1 . ]"
1 4 HIS 0.221 0.076 2 0 "[ . 1 . ]"
1 5 ILE 0.356 0.076 2 0 "[ . 1 . ]"
1 6 GLN 0.015 0.010 2 0 "[ . 1 . ]"
1 7 ILE 1.654 0.393 1 0 "[ . 1 . ]"
1 8 PRO 3.781 0.206 11 0 "[ . 1 . ]"
1 9 PRO 0.031 0.015 2 0 "[ . 1 . ]"
1 10 GLY 0.000 0.000 . 0 "[ . 1 . ]"
1 11 LEU 0.260 0.051 16 0 "[ . 1 . ]"
1 12 THR 1.109 0.083 14 0 "[ . 1 . ]"
1 13 GLU 1.101 0.083 14 0 "[ . 1 . ]"
1 14 LEU 0.071 0.036 9 0 "[ . 1 . ]"
1 15 LEU 0.630 0.079 9 0 "[ . 1 . ]"
1 16 GLN 1.699 0.188 7 0 "[ . 1 . ]"
1 17 GLY 0.000 0.000 . 0 "[ . 1 . ]"
1 18 TYR 3.881 0.324 7 0 "[ . 1 . ]"
1 19 THR 1.653 0.123 4 0 "[ . 1 . ]"
1 20 VAL 0.706 0.274 7 0 "[ . 1 . ]"
1 21 GLU 7.356 0.386 11 0 "[ . 1 . ]"
1 22 VAL 6.323 0.386 11 0 "[ . 1 . ]"
1 23 LEU 0.078 0.048 11 0 "[ . 1 . ]"
1 24 ARG 0.030 0.013 4 0 "[ . 1 . ]"
1 25 GLN 1.838 0.329 9 0 "[ . 1 . ]"
1 26 GLN 1.369 0.302 15 0 "[ . 1 . ]"
1 27 PRO 2.374 0.302 15 0 "[ . 1 . ]"
1 28 PRO 1.528 0.098 13 0 "[ . 1 . ]"
1 29 ASP 0.269 0.061 7 0 "[ . 1 . ]"
1 30 LEU 1.668 0.098 15 0 "[ . 1 . ]"
1 31 VAL 3.479 0.186 13 0 "[ . 1 . ]"
1 32 ASP 3.004 0.186 13 0 "[ . 1 . ]"
1 33 PHE 1.835 0.098 15 0 "[ . 1 . ]"
1 34 ALA 1.301 0.077 15 0 "[ . 1 . ]"
1 35 VAL 5.148 0.282 15 0 "[ . 1 . ]"
1 36 GLU 1.786 0.276 2 0 "[ . 1 . ]"
1 37 TYR 0.029 0.014 10 0 "[ . 1 . ]"
1 38 PHE 0.159 0.047 13 0 "[ . 1 . ]"
1 39 THR 0.092 0.032 2 0 "[ . 1 . ]"
1 40 ARG 0.191 0.035 14 0 "[ . 1 . ]"
1 41 LEU 0.166 0.047 13 0 "[ . 1 . ]"
1 42 ARG 2.331 0.370 17 0 "[ . 1 . ]"
1 43 GLU 0.303 0.045 9 0 "[ . 1 . ]"
1 44 ALA 4.909 0.350 14 0 "[ . 1 . ]"
1 45 ARG 5.260 0.350 14 0 "[ . 1 . ]"
1 46 ARG 0.560 0.079 16 0 "[ . 1 . ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 2 MET HA 1 3 GLY H 5.000 . 5.200 2.839 2.237 3.584 . 0 0 "[ . 1 . ]" 1
2 1 3 GLY QA 1 4 HIS H 3.300 . 3.500 2.271 2.162 2.510 . 0 0 "[ . 1 . ]" 1
3 1 5 ILE H 1 5 ILE HB 2.700 . 2.900 2.701 2.386 2.933 0.033 11 0 "[ . 1 . ]" 1
4 1 4 HIS HA 1 5 ILE H 3.300 . 3.500 2.719 2.220 3.576 0.076 2 0 "[ . 1 . ]" 1
5 1 4 HIS QB 1 5 ILE H 6.000 . 6.200 3.177 2.139 4.052 . 0 0 "[ . 1 . ]" 1
6 1 5 ILE HA 1 5 ILE QG 3.300 . 3.300 2.492 2.214 2.916 . 0 0 "[ . 1 . ]" 1
7 1 5 ILE HA 1 5 ILE MG 3.300 . 3.300 2.845 2.308 3.203 . 0 0 "[ . 1 . ]" 1
8 1 5 ILE HA 1 5 ILE MD 3.300 . 3.300 2.759 1.956 3.315 0.015 1 0 "[ . 1 . ]" 1
9 1 4 HIS QB 1 5 ILE MG 5.000 . 5.500 4.716 2.941 5.487 . 0 0 "[ . 1 . ]" 1
10 1 5 ILE MD 1 6 GLN H 5.000 . 5.700 4.222 2.601 5.204 . 0 0 "[ . 1 . ]" 1
11 1 6 GLN H 1 6 GLN QB 3.300 . 3.500 2.549 2.180 3.231 . 0 0 "[ . 1 . ]" 1
12 1 5 ILE HA 1 6 GLN H 2.700 . 2.900 2.386 2.215 2.822 . 0 0 "[ . 1 . ]" 1
13 1 6 GLN HA 1 6 GLN QG 3.300 . 3.300 2.326 2.027 3.303 0.003 7 0 "[ . 1 . ]" 1
14 1 6 GLN HA 1 6 GLN QB 2.700 . 2.700 2.444 2.204 2.548 . 0 0 "[ . 1 . ]" 1
15 1 5 ILE MG 1 6 GLN HA 5.000 . 5.500 3.797 3.432 3.992 . 0 0 "[ . 1 . ]" 1
16 1 7 ILE H 1 7 ILE MD 5.000 . 5.700 3.183 1.912 4.085 . 0 0 "[ . 1 . ]" 1
17 1 7 ILE H 1 7 ILE MG 3.300 . 4.000 3.395 1.957 3.832 . 0 0 "[ . 1 . ]" 1
18 1 7 ILE H 1 7 ILE QG 3.300 . 3.500 2.618 1.931 3.893 0.393 1 0 "[ . 1 . ]" 1
19 1 6 GLN QG 1 7 ILE H 5.000 . 5.200 3.971 2.290 4.535 . 0 0 "[ . 1 . ]" 1
20 1 6 GLN HA 1 7 ILE H 2.700 . 2.900 2.566 2.230 2.910 0.010 2 0 "[ . 1 . ]" 1
21 1 7 ILE HA 1 8 PRO QD 2.700 . 2.700 2.040 1.943 2.336 . 0 0 "[ . 1 . ]" 1
22 1 7 ILE HA 1 7 ILE MG 2.700 . 3.200 2.382 2.028 3.188 . 0 0 "[ . 1 . ]" 1
23 1 7 ILE HA 1 7 ILE MD 2.700 . 3.200 2.534 1.913 3.434 0.234 17 0 "[ . 1 . ]" 1
24 1 7 ILE HB 1 8 PRO QD 5.000 . 5.000 3.858 2.058 4.396 . 0 0 "[ . 1 . ]" 1
25 1 8 PRO HA 1 9 PRO QD 2.700 . 2.700 2.014 1.964 2.086 . 0 0 "[ . 1 . ]" 1
26 1 8 PRO HA 1 8 PRO QG 3.300 . 3.300 3.501 3.498 3.506 0.206 11 0 "[ . 1 . ]" 1
27 1 7 ILE MG 1 8 PRO QD 3.300 . 3.800 2.870 1.886 3.900 0.100 1 0 "[ . 1 . ]" 1
28 1 7 ILE MD 1 8 PRO QD 3.300 . 3.800 3.132 2.650 3.883 0.083 4 0 "[ . 1 . ]" 1
29 1 8 PRO QB 1 9 PRO QD 3.300 . 3.300 2.870 2.352 3.315 0.015 2 0 "[ . 1 . ]" 1
30 1 8 PRO QB 1 8 PRO QD 3.300 . 3.800 2.814 2.792 2.845 . 0 0 "[ . 1 . ]" 1
31 1 8 PRO HA 1 9 PRO QG 5.000 . 5.000 3.924 3.868 4.020 . 0 0 "[ . 1 . ]" 1
32 1 9 PRO QB 1 10 GLY H 3.300 . 3.500 2.624 2.075 3.103 . 0 0 "[ . 1 . ]" 1
33 1 9 PRO HA 1 10 GLY H 2.700 . 2.900 2.460 2.273 2.715 . 0 0 "[ . 1 . ]" 1
34 1 10 GLY QA 1 13 GLU QB 5.000 . 5.000 3.166 2.589 3.852 . 0 0 "[ . 1 . ]" 1
35 1 11 LEU H 1 12 THR H 3.300 . 3.500 2.554 2.360 2.809 . 0 0 "[ . 1 . ]" 1
36 1 10 GLY H 1 11 LEU H 3.300 . 3.500 2.852 2.589 3.201 . 0 0 "[ . 1 . ]" 1
37 1 11 LEU H 1 11 LEU QD 3.300 . 4.000 3.456 2.426 3.693 . 0 0 "[ . 1 . ]" 1
38 1 9 PRO QB 1 11 LEU H 5.000 . 5.200 4.560 4.366 4.782 . 0 0 "[ . 1 . ]" 1
39 1 11 LEU H 1 11 LEU QB 2.700 . 2.900 2.108 1.952 2.223 . 0 0 "[ . 1 . ]" 1
40 1 10 GLY QA 1 11 LEU H 3.300 . 3.500 2.796 2.706 2.886 . 0 0 "[ . 1 . ]" 1
41 1 11 LEU H 1 11 LEU HA 2.700 . 2.900 2.904 2.855 2.951 0.051 16 0 "[ . 1 . ]" 1
42 1 9 PRO HA 1 11 LEU H 3.300 . 3.500 3.410 3.262 3.511 0.011 10 0 "[ . 1 . ]" 1
43 1 11 LEU QB 1 12 THR H 3.300 . 3.500 2.646 2.226 3.014 . 0 0 "[ . 1 . ]" 1
44 1 11 LEU HG 1 12 THR H 5.000 . 5.200 4.409 3.316 5.050 . 0 0 "[ . 1 . ]" 1
45 1 12 THR H 1 12 THR HB 2.700 . 2.900 2.471 2.333 2.591 . 0 0 "[ . 1 . ]" 1
46 1 11 LEU QD 1 12 THR H 5.000 . 5.700 3.701 3.147 4.198 . 0 0 "[ . 1 . ]" 1
47 1 12 THR MG 1 16 GLN QG 3.300 . 3.800 3.504 2.898 3.718 . 0 0 "[ . 1 . ]" 1
48 1 12 THR MG 1 16 GLN QB 5.000 . 5.500 3.164 2.527 3.818 . 0 0 "[ . 1 . ]" 1
49 1 12 THR HA 1 15 LEU QB 3.300 . 3.300 2.855 2.480 3.308 0.008 17 0 "[ . 1 . ]" 1
50 1 12 THR HA 1 12 THR MG 2.700 . 3.200 2.349 2.231 2.445 . 0 0 "[ . 1 . ]" 1
51 1 12 THR HA 1 13 GLU H 3.300 . 3.500 3.565 3.504 3.583 0.083 14 0 "[ . 1 . ]" 1
52 1 12 THR H 1 13 GLU H 3.300 . 3.500 2.798 2.571 3.003 . 0 0 "[ . 1 . ]" 1
53 1 12 THR MG 1 13 GLU H 3.300 . 4.000 3.351 2.955 3.746 . 0 0 "[ . 1 . ]" 1
54 1 13 GLU H 1 13 GLU QB 2.700 . 2.900 2.108 1.963 2.294 . 0 0 "[ . 1 . ]" 1
55 1 13 GLU H 1 13 GLU HA 2.700 . 2.900 2.834 2.800 2.898 . 0 0 "[ . 1 . ]" 1
56 1 12 THR MG 1 13 GLU HA 3.300 . 3.800 3.594 3.372 3.759 . 0 0 "[ . 1 . ]" 1
57 1 13 GLU HA 1 16 GLN QB 3.300 . 3.300 2.723 2.319 3.114 . 0 0 "[ . 1 . ]" 1
58 1 14 LEU H 1 15 LEU H 5.000 . 5.200 2.828 2.595 2.975 . 0 0 "[ . 1 . ]" 1
59 1 13 GLU H 1 14 LEU H 3.300 . 3.500 2.829 2.615 2.975 . 0 0 "[ . 1 . ]" 1
60 1 14 LEU H 1 14 LEU QD 3.300 . 4.000 3.102 2.314 3.630 . 0 0 "[ . 1 . ]" 1
61 1 13 GLU HA 1 14 LEU H 5.000 . 5.200 3.566 3.504 3.593 . 0 0 "[ . 1 . ]" 1
62 1 13 GLU QB 1 14 LEU H 3.300 . 3.500 2.479 2.165 2.833 . 0 0 "[ . 1 . ]" 1
63 1 11 LEU HA 1 14 LEU H 5.000 . 5.200 3.609 3.280 3.990 . 0 0 "[ . 1 . ]" 1
64 1 11 LEU HA 1 14 LEU QB 3.300 . 3.300 2.801 2.309 3.297 . 0 0 "[ . 1 . ]" 1
65 1 14 LEU QB 1 14 LEU QD 2.700 . 3.200 1.870 1.764 1.931 0.036 9 0 "[ . 1 . ]" 1
66 1 11 LEU HA 1 14 LEU QD 3.300 . 3.800 3.133 2.226 3.804 0.004 2 0 "[ . 1 . ]" 1
67 1 14 LEU HA 1 15 LEU H 5.000 . 5.200 3.587 3.566 3.592 . 0 0 "[ . 1 . ]" 1
68 1 12 THR HA 1 15 LEU H 5.000 . 5.200 3.703 3.326 4.006 . 0 0 "[ . 1 . ]" 1
69 1 15 LEU H 1 15 LEU QB 2.700 . 2.900 2.147 1.937 2.407 . 0 0 "[ . 1 . ]" 1
70 1 14 LEU QB 1 15 LEU H 3.300 . 3.500 2.342 2.102 2.672 . 0 0 "[ . 1 . ]" 1
71 1 15 LEU H 1 15 LEU QD 2.700 . 3.400 2.544 2.017 2.975 . 0 0 "[ . 1 . ]" 1
72 1 15 LEU H 1 16 GLN H 3.300 . 3.500 2.804 2.742 2.919 . 0 0 "[ . 1 . ]" 1
73 1 15 LEU HA 1 18 TYR QB 3.300 . 3.300 2.932 2.742 3.165 . 0 0 "[ . 1 . ]" 1
74 1 15 LEU QB 1 15 LEU QD 2.700 . 3.200 1.945 1.887 2.038 . 0 0 "[ . 1 . ]" 1
75 1 15 LEU HA 1 15 LEU QD 2.700 . 3.200 1.998 1.771 2.410 0.029 2 0 "[ . 1 . ]" 1
76 1 16 GLN H 1 17 GLY H 3.300 . 3.500 2.804 2.767 2.860 . 0 0 "[ . 1 . ]" 1
77 1 16 GLN H 1 16 GLN QG 3.300 . 3.500 3.469 3.269 3.688 0.188 7 0 "[ . 1 . ]" 1
78 1 16 GLN H 1 16 GLN QB 2.700 . 2.900 1.941 1.930 1.965 . 0 0 "[ . 1 . ]" 1
79 1 16 GLN H 1 16 GLN HA 2.700 . 2.900 2.819 2.803 2.833 . 0 0 "[ . 1 . ]" 1
80 1 16 GLN HA 1 16 GLN QG 2.700 . 2.700 2.130 2.020 2.192 . 0 0 "[ . 1 . ]" 1
81 1 16 GLN HA 1 19 THR MG 3.300 . 3.800 3.874 3.804 3.923 0.123 4 0 "[ . 1 . ]" 1
82 1 17 GLY H 1 18 TYR H 5.000 . 5.200 2.885 2.808 2.964 . 0 0 "[ . 1 . ]" 1
83 1 14 LEU HA 1 17 GLY H 6.000 . 6.200 3.707 3.548 3.897 . 0 0 "[ . 1 . ]" 1
84 1 16 GLN QB 1 17 GLY H 3.300 . 3.500 2.676 2.517 2.898 . 0 0 "[ . 1 . ]" 1
85 1 17 GLY QA 1 20 VAL HB 3.300 . 3.300 2.834 2.628 3.025 . 0 0 "[ . 1 . ]" 1
86 1 17 GLY QA 1 20 VAL MG2 5.000 . 5.500 2.999 2.502 3.832 . 0 0 "[ . 1 . ]" 1
87 1 18 TYR H 1 18 TYR QB 3.300 . 3.500 1.979 1.959 2.016 . 0 0 "[ . 1 . ]" 1
88 1 17 GLY QA 1 18 TYR H 5.000 . 5.200 2.583 2.533 2.620 . 0 0 "[ . 1 . ]" 1
89 1 15 LEU HA 1 18 TYR H 3.300 . 3.500 3.534 3.484 3.579 0.079 9 0 "[ . 1 . ]" 1
90 1 18 TYR H 1 18 TYR QD 3.300 . 3.500 3.663 3.573 3.824 0.324 7 0 "[ . 1 . ]" 1
91 1 18 TYR HA 1 21 GLU QB 5.000 . 5.000 2.792 1.834 3.055 . 0 0 "[ . 1 . ]" 1
92 1 18 TYR HA 1 18 TYR QD 2.700 . 2.700 1.993 1.883 2.130 . 0 0 "[ . 1 . ]" 1
93 1 18 TYR HA 1 18 TYR QE 5.000 . 5.000 4.083 4.074 4.107 . 0 0 "[ . 1 . ]" 1
94 1 18 TYR H 1 19 THR H 5.000 . 5.200 2.916 2.851 2.979 . 0 0 "[ . 1 . ]" 1
95 1 16 GLN QB 1 19 THR H 5.000 . 5.200 4.946 4.802 5.025 . 0 0 "[ . 1 . ]" 1
96 1 18 TYR QB 1 19 THR H 3.300 . 3.500 2.430 2.268 2.626 . 0 0 "[ . 1 . ]" 1
97 1 18 TYR HA 1 19 THR H 5.000 . 5.200 3.566 3.542 3.598 . 0 0 "[ . 1 . ]" 1
98 1 16 GLN HA 1 19 THR H 5.000 . 5.200 3.493 3.373 3.570 . 0 0 "[ . 1 . ]" 1
99 1 19 THR H 1 19 THR HB 3.300 . 3.500 2.539 2.281 2.857 . 0 0 "[ . 1 . ]" 1
100 1 18 TYR QD 1 19 THR H 5.000 . 5.200 4.304 4.146 4.478 . 0 0 "[ . 1 . ]" 1
101 1 16 GLN HA 1 19 THR HB 3.300 . 3.300 2.932 2.695 3.256 . 0 0 "[ . 1 . ]" 1
102 1 19 THR HA 1 22 VAL HB 3.300 . 3.300 3.216 3.013 3.403 0.103 3 0 "[ . 1 . ]" 1
103 1 19 THR HA 1 19 THR MG 3.300 . 3.800 2.331 2.048 2.503 . 0 0 "[ . 1 . ]" 1
104 1 19 THR HA 1 22 VAL MG2 3.300 . 3.800 3.686 3.273 3.848 0.048 12 0 "[ . 1 . ]" 1
105 1 19 THR HA 1 22 VAL MG1 5.000 3.500 5.500 4.454 4.170 4.690 . 0 0 "[ . 1 . ]" 1
106 1 16 GLN HA 1 19 THR HA 6.000 . 6.000 5.375 5.311 5.486 . 0 0 "[ . 1 . ]" 1
107 1 19 THR MG 1 23 LEU QD 2.700 . 3.700 2.925 2.127 3.464 . 0 0 "[ . 1 . ]" 1
108 1 19 THR MG 1 22 VAL HB 5.000 . 5.500 4.708 4.468 4.860 . 0 0 "[ . 1 . ]" 1
109 1 19 THR MG 1 22 VAL MG1 5.000 . 6.000 5.261 4.877 5.529 . 0 0 "[ . 1 . ]" 1
110 1 19 THR MG 1 22 VAL MG2 5.000 . 6.000 5.087 4.577 5.291 . 0 0 "[ . 1 . ]" 1
111 1 19 THR HB 1 20 VAL H 3.300 . 3.500 2.579 2.182 2.720 . 0 0 "[ . 1 . ]" 1
112 1 17 GLY QA 1 20 VAL H 5.000 . 5.200 3.310 3.172 3.562 . 0 0 "[ . 1 . ]" 1
113 1 20 VAL H 1 20 VAL HB 3.300 . 3.500 2.332 2.075 2.418 . 0 0 "[ . 1 . ]" 1
114 1 20 VAL H 1 20 VAL MG2 2.700 . 3.400 2.256 2.044 2.656 . 0 0 "[ . 1 . ]" 1
115 1 19 THR H 1 20 VAL H 5.000 . 5.200 2.751 2.609 2.962 . 0 0 "[ . 1 . ]" 1
116 1 20 VAL H 1 21 GLU H 3.300 . 3.500 2.468 2.371 2.609 . 0 0 "[ . 1 . ]" 1
117 1 20 VAL HA 1 23 LEU QB 3.300 . 3.300 2.842 2.359 3.169 . 0 0 "[ . 1 . ]" 1
118 1 20 VAL HA 1 23 LEU QD 3.300 . 3.800 3.413 2.869 3.848 0.048 11 0 "[ . 1 . ]" 1
119 1 20 VAL HA 1 20 VAL MG2 2.700 . 3.200 2.319 2.037 2.426 . 0 0 "[ . 1 . ]" 1
120 1 20 VAL HA 1 20 VAL MG1 2.700 . 3.200 2.383 2.253 2.663 . 0 0 "[ . 1 . ]" 1
121 1 19 THR MG 1 20 VAL HA 5.000 . 5.500 3.803 3.386 4.313 . 0 0 "[ . 1 . ]" 1
122 1 20 VAL MG1 1 21 GLU QG 3.300 . 3.800 3.586 3.387 4.074 0.274 7 0 "[ . 1 . ]" 1
123 1 16 GLN QG 1 20 VAL MG2 3.300 . 3.800 3.699 3.404 3.898 0.098 7 0 "[ . 1 . ]" 1
124 1 19 THR HB 1 20 VAL MG2 3.300 . 3.800 2.907 2.637 3.616 . 0 0 "[ . 1 . ]" 1
125 1 21 GLU H 1 21 GLU QG 3.300 . 3.500 2.162 1.946 3.609 0.109 3 0 "[ . 1 . ]" 1
126 1 21 GLU H 1 21 GLU QB 2.700 . 2.900 2.638 1.901 2.782 . 0 0 "[ . 1 . ]" 1
127 1 20 VAL MG2 1 21 GLU H 5.000 . 5.700 3.925 3.859 4.009 . 0 0 "[ . 1 . ]" 1
128 1 20 VAL MG1 1 21 GLU H 5.000 . 5.700 3.611 2.807 3.798 . 0 0 "[ . 1 . ]" 1
129 1 21 GLU HA 1 24 ARG QD 5.000 . 5.000 4.841 4.545 5.013 0.013 4 0 "[ . 1 . ]" 1
130 1 21 GLU HA 1 21 GLU QG 2.700 . 2.700 2.636 1.918 2.767 0.067 17 0 "[ . 1 . ]" 1
131 1 21 GLU HA 1 21 GLU QB 2.700 . 2.700 2.288 2.241 2.538 . 0 0 "[ . 1 . ]" 1
132 1 21 GLU HA 1 24 ARG QB 3.300 . 3.300 2.745 2.350 3.110 . 0 0 "[ . 1 . ]" 1
133 1 21 GLU HA 1 24 ARG QG 5.000 . 5.000 4.416 3.490 5.008 0.008 2 0 "[ . 1 . ]" 1
134 1 21 GLU QB 1 22 VAL MG2 5.000 . 5.500 2.645 2.523 2.825 . 0 0 "[ . 1 . ]" 1
135 1 18 TYR QD 1 21 GLU QG 3.300 . 3.300 3.325 3.271 3.499 0.199 7 0 "[ . 1 . ]" 1
136 1 22 VAL H 1 23 LEU H 3.300 . 3.500 2.796 2.730 2.887 . 0 0 "[ . 1 . ]" 1
137 1 21 GLU H 1 22 VAL H 3.300 . 3.500 2.618 2.386 3.157 . 0 0 "[ . 1 . ]" 1
138 1 21 GLU HA 1 22 VAL H 5.000 . 5.200 3.560 3.551 3.569 . 0 0 "[ . 1 . ]" 1
139 1 19 THR HA 1 22 VAL H 5.000 . 5.200 4.149 3.933 4.266 . 0 0 "[ . 1 . ]" 1
140 1 21 GLU QB 1 22 VAL H 5.000 . 5.200 2.078 1.910 2.361 . 0 0 "[ . 1 . ]" 1
141 1 22 VAL H 1 30 LEU QD 5.000 . 5.700 4.706 4.537 4.992 . 0 0 "[ . 1 . ]" 1
142 1 22 VAL H 1 22 VAL MG2 3.300 . 4.000 1.903 1.880 2.002 . 0 0 "[ . 1 . ]" 1
143 1 22 VAL HA 1 25 GLN QB 5.000 . 5.000 3.877 3.146 5.051 0.051 12 0 "[ . 1 . ]" 1
144 1 22 VAL HA 1 22 VAL MG2 3.300 . 3.800 2.375 2.295 2.432 . 0 0 "[ . 1 . ]" 1
145 1 22 VAL HA 1 22 VAL MG1 3.300 . 3.800 2.361 2.271 2.442 . 0 0 "[ . 1 . ]" 1
146 1 22 VAL HA 1 27 PRO QD 3.300 . 3.300 2.357 1.860 2.756 . 0 0 "[ . 1 . ]" 1
147 1 22 VAL HA 1 26 GLN HA 5.000 . 5.000 3.847 3.273 4.301 . 0 0 "[ . 1 . ]" 1
148 1 22 VAL HA 1 33 PHE QD 5.000 . 5.000 4.340 3.978 4.715 . 0 0 "[ . 1 . ]" 1
149 1 22 VAL HA 1 33 PHE QE 5.000 . 5.000 3.444 2.843 3.919 . 0 0 "[ . 1 . ]" 1
150 1 21 GLU QG 1 22 VAL MG1 5.000 . 5.500 5.830 5.767 5.886 0.386 11 0 "[ . 1 . ]" 1
151 1 21 GLU QG 1 22 VAL MG2 5.000 . 5.500 3.744 3.631 4.055 . 0 0 "[ . 1 . ]" 1
152 1 22 VAL MG2 1 23 LEU H 5.000 . 5.700 3.819 3.758 3.891 . 0 0 "[ . 1 . ]" 1
153 1 20 VAL HA 1 23 LEU H 5.000 . 5.200 3.882 3.572 4.132 . 0 0 "[ . 1 . ]" 1
154 1 22 VAL HA 1 23 LEU H 5.000 . 5.200 3.539 3.493 3.576 . 0 0 "[ . 1 . ]" 1
155 1 23 LEU H 1 23 LEU QB 3.300 . 3.500 2.124 1.946 2.218 . 0 0 "[ . 1 . ]" 1
156 1 23 LEU H 1 23 LEU QD 3.300 . 4.000 3.355 1.987 3.705 . 0 0 "[ . 1 . ]" 1
157 1 20 VAL MG2 1 23 LEU H 5.000 . 5.700 5.372 5.173 5.545 . 0 0 "[ . 1 . ]" 1
158 1 23 LEU H 1 23 LEU HG 5.000 . 5.700 4.005 2.722 4.423 . 0 0 "[ . 1 . ]" 1
159 1 23 LEU H 1 24 ARG H 3.300 . 3.500 2.460 2.317 2.606 . 0 0 "[ . 1 . ]" 1
160 1 23 LEU QB 1 23 LEU QD 2.700 . 3.200 1.882 1.771 2.005 0.029 15 0 "[ . 1 . ]" 1
161 1 24 ARG H 1 25 GLN H 3.300 . 3.500 2.615 2.298 2.930 . 0 0 "[ . 1 . ]" 1
162 1 23 LEU QD 1 24 ARG H 5.000 . 5.700 3.976 3.620 4.271 . 0 0 "[ . 1 . ]" 1
163 1 23 LEU QB 1 24 ARG H 5.000 . 5.200 2.710 2.526 2.986 . 0 0 "[ . 1 . ]" 1
164 1 24 ARG HA 1 24 ARG QD 3.300 . 3.300 2.859 2.202 3.299 . 0 0 "[ . 1 . ]" 1
165 1 20 VAL MG1 1 24 ARG QD 5.000 . 5.500 3.716 2.662 4.960 . 0 0 "[ . 1 . ]" 1
166 1 25 GLN H 1 26 GLN H 3.300 . 3.500 2.684 2.187 3.396 . 0 0 "[ . 1 . ]" 1
167 1 25 GLN H 1 25 GLN HA 2.700 . 2.900 2.884 2.806 2.989 0.089 15 0 "[ . 1 . ]" 1
168 1 25 GLN H 1 26 GLN HA 5.000 . 5.200 4.930 4.271 5.211 0.011 1 0 "[ . 1 . ]" 1
169 1 22 VAL HA 1 25 GLN H 5.000 . 5.200 4.175 3.699 4.720 . 0 0 "[ . 1 . ]" 1
170 1 25 GLN H 1 25 GLN QG 3.300 . 3.500 2.859 1.907 3.829 0.329 9 0 "[ . 1 . ]" 1
171 1 25 GLN H 1 25 GLN QB 3.300 . 3.500 2.224 1.938 2.979 . 0 0 "[ . 1 . ]" 1
172 1 25 GLN QG 1 33 PHE QD 5.000 . 5.000 4.905 4.415 5.034 0.034 7 0 "[ . 1 . ]" 1
173 1 25 GLN HA 1 26 GLN H 3.300 . 3.500 3.449 2.745 3.568 0.068 17 0 "[ . 1 . ]" 1
174 1 26 GLN H 1 27 PRO QD 3.300 . 3.500 2.586 2.265 3.802 0.302 15 0 "[ . 1 . ]" 1
175 1 26 GLN H 1 26 GLN QG 3.300 . 3.500 3.268 2.623 3.510 0.010 8 0 "[ . 1 . ]" 1
176 1 25 GLN QB 1 26 GLN H 5.000 . 5.200 2.995 2.450 4.058 . 0 0 "[ . 1 . ]" 1
177 1 26 GLN H 1 26 GLN QB 2.700 . 2.900 2.792 2.031 2.941 0.041 10 0 "[ . 1 . ]" 1
178 1 26 GLN HA 1 27 PRO QD 3.300 . 3.300 2.228 1.964 2.398 . 0 0 "[ . 1 . ]" 1
179 1 26 GLN HA 1 26 GLN QG 2.700 . 2.700 2.076 1.933 2.288 . 0 0 "[ . 1 . ]" 1
180 1 26 GLN HA 1 26 GLN QB 2.700 . 2.700 2.543 2.507 2.550 . 0 0 "[ . 1 . ]" 1
181 1 26 GLN HA 1 27 PRO QG 5.000 . 5.000 4.089 3.878 4.222 . 0 0 "[ . 1 . ]" 1
182 1 22 VAL MG1 1 26 GLN HA 5.000 . 5.500 3.492 2.838 4.068 . 0 0 "[ . 1 . ]" 1
183 1 26 GLN HA 1 30 LEU QD 5.000 . 5.500 5.313 4.522 5.527 0.027 14 0 "[ . 1 . ]" 1
184 1 26 GLN QG 1 27 PRO QD 5.000 . 5.000 3.789 3.359 4.239 . 0 0 "[ . 1 . ]" 1
185 1 27 PRO HA 1 28 PRO QD 2.700 . 2.700 2.119 2.053 2.245 . 0 0 "[ . 1 . ]" 1
186 1 27 PRO HA 1 27 PRO QD 3.300 . 3.300 3.402 3.379 3.521 0.221 7 0 "[ . 1 . ]" 1
187 1 25 GLN QB 1 27 PRO QD 5.000 . 5.000 2.736 1.886 4.123 . 0 0 "[ . 1 . ]" 1
188 1 22 VAL MG2 1 27 PRO QD 5.000 . 5.500 3.658 3.188 3.952 . 0 0 "[ . 1 . ]" 1
189 1 22 VAL MG1 1 27 PRO QD 3.300 . 3.800 2.610 1.971 3.023 . 0 0 "[ . 1 . ]" 1
190 1 27 PRO QG 1 30 LEU QD 2.700 . 3.200 3.071 2.528 3.240 0.040 4 0 "[ . 1 . ]" 1
191 1 22 VAL MG2 1 27 PRO QB 5.000 . 5.500 5.137 4.340 5.541 0.041 3 0 "[ . 1 . ]" 1
192 1 27 PRO QB 1 28 PRO QD 3.300 . 3.300 2.369 1.986 2.615 . 0 0 "[ . 1 . ]" 1
193 1 27 PRO QB 1 33 PHE QD 5.000 . 5.000 3.503 2.902 3.905 . 0 0 "[ . 1 . ]" 1
194 1 27 PRO QB 1 33 PHE QB 3.300 . 3.300 2.755 2.312 3.081 . 0 0 "[ . 1 . ]" 1
195 1 22 VAL MG2 1 27 PRO QG 5.000 . 5.500 3.486 2.757 3.858 . 0 0 "[ . 1 . ]" 1
196 1 22 VAL MG1 1 27 PRO QG 5.000 . 5.500 3.131 2.349 3.615 . 0 0 "[ . 1 . ]" 1
197 1 28 PRO HA 1 28 PRO QD 3.300 . 3.300 3.390 3.378 3.398 0.098 13 0 "[ . 1 . ]" 1
198 1 27 PRO HA 1 29 ASP H 5.000 . 5.200 4.140 3.937 4.455 . 0 0 "[ . 1 . ]" 1
199 1 28 PRO HA 1 29 ASP H 5.000 . 5.200 3.530 3.474 3.575 . 0 0 "[ . 1 . ]" 1
200 1 28 PRO QD 1 29 ASP H 3.300 . 3.500 2.549 2.510 2.621 . 0 0 "[ . 1 . ]" 1
201 1 29 ASP H 1 29 ASP QB 3.300 . 3.500 2.516 2.335 3.024 . 0 0 "[ . 1 . ]" 1
202 1 27 PRO QB 1 29 ASP H 3.300 . 3.500 2.562 2.294 2.882 . 0 0 "[ . 1 . ]" 1
203 1 29 ASP H 1 32 ASP QB 5.000 . 5.200 4.803 4.291 5.192 . 0 0 "[ . 1 . ]" 1
204 1 29 ASP HA 1 29 ASP QB 2.700 . 2.700 2.417 2.204 2.539 . 0 0 "[ . 1 . ]" 1
205 1 29 ASP HA 1 30 LEU QB 5.000 . 5.000 4.133 4.029 4.507 . 0 0 "[ . 1 . ]" 1
206 1 30 LEU H 1 30 LEU QD 3.300 . 4.000 3.376 1.994 3.700 . 0 0 "[ . 1 . ]" 1
207 1 30 LEU H 1 30 LEU QB 2.700 . 2.900 2.218 2.070 2.424 . 0 0 "[ . 1 . ]" 1
208 1 29 ASP QB 1 30 LEU H 3.300 . 3.500 3.501 3.421 3.561 0.061 7 0 "[ . 1 . ]" 1
209 1 29 ASP HA 1 30 LEU H 2.700 . 2.900 2.218 2.207 2.303 . 0 0 "[ . 1 . ]" 1
210 1 30 LEU H 1 31 VAL H 3.300 . 3.500 2.486 2.361 2.649 . 0 0 "[ . 1 . ]" 1
211 1 29 ASP H 1 30 LEU H 6.000 . 6.200 4.240 4.123 4.396 . 0 0 "[ . 1 . ]" 1
212 1 30 LEU HA 1 33 PHE QB 3.300 . 3.300 2.108 2.049 2.211 . 0 0 "[ . 1 . ]" 1
213 1 22 VAL MG1 1 30 LEU HA 5.000 . 5.500 4.189 3.910 4.470 . 0 0 "[ . 1 . ]" 1
214 1 30 LEU QB 1 30 LEU QD 2.700 . 3.200 1.832 1.765 1.987 0.035 9 0 "[ . 1 . ]" 1
215 1 30 LEU QD 1 33 PHE QB 5.000 . 5.500 3.359 2.526 4.078 . 0 0 "[ . 1 . ]" 1
216 1 27 PRO QD 1 30 LEU QD 3.300 . 3.800 3.702 2.999 3.821 0.021 16 0 "[ . 1 . ]" 1
217 1 22 VAL MG2 1 30 LEU QD 2.700 . 3.700 1.977 1.841 2.274 . 0 0 "[ . 1 . ]" 1
218 1 22 VAL MG1 1 30 LEU QD 2.700 . 3.700 1.822 1.752 1.925 0.048 5 0 "[ . 1 . ]" 1
219 1 22 VAL HB 1 30 LEU QD 3.300 . 3.800 3.709 3.549 3.838 0.038 16 0 "[ . 1 . ]" 1
220 1 22 VAL HA 1 30 LEU QD 5.000 . 5.500 3.868 3.573 4.244 . 0 0 "[ . 1 . ]" 1
221 1 18 TYR QD 1 30 LEU QD 3.300 . 3.800 3.515 3.216 3.785 . 0 0 "[ . 1 . ]" 1
222 1 18 TYR QE 1 30 LEU QD 5.000 . 5.500 2.228 1.811 2.826 . 0 0 "[ . 1 . ]" 1
223 1 31 VAL H 1 32 ASP H 3.300 . 3.500 3.062 2.908 3.165 . 0 0 "[ . 1 . ]" 1
224 1 29 ASP HA 1 31 VAL H 5.000 . 5.200 3.872 3.658 4.270 . 0 0 "[ . 1 . ]" 1
225 1 31 VAL H 1 31 VAL HB 3.300 . 3.500 2.545 2.520 2.567 . 0 0 "[ . 1 . ]" 1
226 1 31 VAL H 1 31 VAL MG1 3.300 . 4.000 3.698 3.695 3.701 . 0 0 "[ . 1 . ]" 1
227 1 31 VAL H 1 31 VAL MG2 2.700 . 3.400 1.994 1.909 2.043 . 0 0 "[ . 1 . ]" 1
228 1 31 VAL HA 1 31 VAL MG2 2.700 . 3.200 2.322 2.285 2.394 . 0 0 "[ . 1 . ]" 1
229 1 31 VAL HA 1 31 VAL MG1 2.700 . 3.200 2.349 2.240 2.414 . 0 0 "[ . 1 . ]" 1
230 1 31 VAL HA 1 34 ALA MB 3.300 . 3.800 2.877 2.769 2.967 . 0 0 "[ . 1 . ]" 1
231 1 30 LEU QB 1 31 VAL MG2 5.000 . 5.500 3.202 2.994 3.322 . 0 0 "[ . 1 . ]" 1
232 1 30 LEU QD 1 31 VAL MG2 2.700 . 3.700 3.601 3.234 3.728 0.028 8 0 "[ . 1 . ]" 1
233 1 31 VAL MG1 1 32 ASP HA 5.000 . 5.500 3.516 3.364 3.662 . 0 0 "[ . 1 . ]" 1
234 1 31 VAL MG2 1 32 ASP H 3.300 . 4.000 3.558 3.533 3.607 . 0 0 "[ . 1 . ]" 1
235 1 31 VAL MG1 1 32 ASP H 3.300 . 4.000 3.045 2.900 3.295 . 0 0 "[ . 1 . ]" 1
236 1 31 VAL HB 1 32 ASP H 3.300 . 3.500 1.983 1.926 2.159 . 0 0 "[ . 1 . ]" 1
237 1 32 ASP H 1 32 ASP QB 2.700 . 2.900 1.959 1.908 2.034 . 0 0 "[ . 1 . ]" 1
238 1 29 ASP QB 1 32 ASP H 5.000 . 5.200 2.834 2.574 3.061 . 0 0 "[ . 1 . ]" 1
239 1 31 VAL HA 1 32 ASP H 5.000 . 5.200 3.574 3.568 3.576 . 0 0 "[ . 1 . ]" 1
240 1 32 ASP H 1 33 PHE H 3.300 . 3.500 2.759 2.664 2.823 . 0 0 "[ . 1 . ]" 1
241 1 32 ASP HA 1 35 VAL HB 3.300 . 3.300 2.800 2.582 3.132 . 0 0 "[ . 1 . ]" 1
242 1 29 ASP QB 1 32 ASP QB 3.300 . 3.300 2.635 2.179 2.898 . 0 0 "[ . 1 . ]" 1
243 1 31 VAL HB 1 32 ASP QB 3.300 . 3.300 3.446 3.411 3.486 0.186 13 0 "[ . 1 . ]" 1
244 1 33 PHE HA 1 36 GLU QG 3.300 . 3.300 3.242 3.049 3.366 0.066 10 0 "[ . 1 . ]" 1
245 1 33 PHE HA 1 36 GLU QB 2.700 . 2.700 2.507 2.160 2.711 0.011 4 0 "[ . 1 . ]" 1
246 1 30 LEU HA 1 33 PHE HA 5.000 . 5.000 5.054 5.025 5.098 0.098 15 0 "[ . 1 . ]" 1
247 1 33 PHE HA 1 33 PHE QD 3.300 . 3.300 2.272 2.091 2.446 . 0 0 "[ . 1 . ]" 1
248 1 33 PHE HA 1 33 PHE QE 5.000 . 5.000 4.412 4.316 4.483 . 0 0 "[ . 1 . ]" 1
249 1 34 ALA H 1 34 ALA MB 2.700 . 3.400 1.967 1.910 2.150 . 0 0 "[ . 1 . ]" 1
250 1 33 PHE QB 1 34 ALA H 5.000 . 5.200 2.323 2.157 2.427 . 0 0 "[ . 1 . ]" 1
251 1 33 PHE HA 1 34 ALA H 5.000 . 5.200 3.578 3.568 3.589 . 0 0 "[ . 1 . ]" 1
252 1 33 PHE QD 1 34 ALA H 3.300 . 3.500 3.521 3.468 3.555 0.055 15 0 "[ . 1 . ]" 1
253 1 34 ALA HA 1 37 TYR QB 3.300 . 3.300 2.798 2.532 3.059 . 0 0 "[ . 1 . ]" 1
254 1 33 PHE QD 1 34 ALA MB 5.000 . 5.500 4.047 3.902 4.179 . 0 0 "[ . 1 . ]" 1
255 1 31 VAL MG2 1 34 ALA MB 3.300 . 4.300 4.353 4.337 4.377 0.077 15 0 "[ . 1 . ]" 1
256 1 31 VAL MG1 1 34 ALA MB 3.300 . 4.300 4.015 3.919 4.173 . 0 0 "[ . 1 . ]" 1
257 1 34 ALA MB 1 35 VAL H 5.000 . 5.700 2.603 2.429 2.777 . 0 0 "[ . 1 . ]" 1
258 1 35 VAL H 1 35 VAL MG2 2.700 . 3.400 2.119 1.960 2.339 . 0 0 "[ . 1 . ]" 1
259 1 35 VAL H 1 35 VAL MG1 2.700 . 3.400 3.672 3.656 3.682 0.282 15 0 "[ . 1 . ]" 1
260 1 35 VAL H 1 35 VAL HB 3.300 . 3.500 2.307 2.219 2.408 . 0 0 "[ . 1 . ]" 1
261 1 34 ALA HA 1 35 VAL H 5.000 . 5.200 3.559 3.528 3.584 . 0 0 "[ . 1 . ]" 1
262 1 32 ASP HA 1 35 VAL H 3.300 . 3.500 3.527 3.466 3.559 0.059 9 0 "[ . 1 . ]" 1
263 1 35 VAL HA 1 35 VAL MG2 2.700 . 3.200 2.322 2.228 2.390 . 0 0 "[ . 1 . ]" 1
264 1 35 VAL HA 1 35 VAL MG1 2.700 . 3.200 2.343 2.285 2.478 . 0 0 "[ . 1 . ]" 1
265 1 35 VAL MG1 1 36 GLU HA 6.000 . 6.500 3.494 3.302 3.737 . 0 0 "[ . 1 . ]" 1
266 1 35 VAL MG2 1 36 GLU H 3.300 . 4.000 3.789 3.636 3.929 . 0 0 "[ . 1 . ]" 1
267 1 35 VAL MG1 1 36 GLU H 5.000 . 5.700 3.259 3.065 3.635 . 0 0 "[ . 1 . ]" 1
268 1 36 GLU H 1 36 GLU QB 3.300 . 3.500 2.243 2.015 2.403 . 0 0 "[ . 1 . ]" 1
269 1 35 VAL HA 1 36 GLU H 5.000 . 5.200 3.574 3.512 3.594 . 0 0 "[ . 1 . ]" 1
270 1 33 PHE HA 1 36 GLU H 3.300 . 3.500 3.433 3.234 3.534 0.034 15 0 "[ . 1 . ]" 1
271 1 35 VAL H 1 36 GLU H 3.300 . 3.500 2.605 2.441 2.758 . 0 0 "[ . 1 . ]" 1
272 1 36 GLU H 1 36 GLU QG 3.300 . 3.500 2.688 2.015 3.776 0.276 2 0 "[ . 1 . ]" 1
273 1 36 GLU HA 1 36 GLU QG 3.300 . 3.300 2.506 2.257 3.131 . 0 0 "[ . 1 . ]" 1
274 1 36 GLU QB 1 37 TYR H 3.300 . 3.500 2.719 2.313 2.976 . 0 0 "[ . 1 . ]" 1
275 1 37 TYR H 1 37 TYR QB 2.700 . 2.900 2.172 2.154 2.191 . 0 0 "[ . 1 . ]" 1
276 1 36 GLU HA 1 37 TYR H 5.000 . 5.200 3.530 3.481 3.593 . 0 0 "[ . 1 . ]" 1
277 1 37 TYR H 1 37 TYR QD 5.000 . 5.200 4.147 4.133 4.156 . 0 0 "[ . 1 . ]" 1
278 1 36 GLU H 1 37 TYR H 3.300 . 3.500 2.672 2.408 3.023 . 0 0 "[ . 1 . ]" 1
279 1 37 TYR H 1 38 PHE H 5.000 . 5.200 2.897 2.734 3.095 . 0 0 "[ . 1 . ]" 1
280 1 37 TYR H 1 38 PHE QD 5.000 . 5.200 5.028 4.624 5.214 0.014 10 0 "[ . 1 . ]" 1
281 1 34 ALA HA 1 37 TYR H 5.000 . 5.200 3.768 3.489 4.051 . 0 0 "[ . 1 . ]" 1
282 1 37 TYR HA 1 37 TYR QD 3.300 . 3.300 2.212 2.007 2.791 . 0 0 "[ . 1 . ]" 1
283 1 37 TYR HA 1 40 ARG QD 5.000 . 5.000 4.401 3.418 4.988 . 0 0 "[ . 1 . ]" 1
284 1 37 TYR HA 1 37 TYR QB 2.700 . 2.700 2.354 2.336 2.381 . 0 0 "[ . 1 . ]" 1
285 1 37 TYR HA 1 40 ARG QB 3.300 . 3.300 3.054 2.842 3.276 . 0 0 "[ . 1 . ]" 1
286 1 37 TYR QB 1 37 TYR QD 2.700 . 2.700 2.197 2.157 2.227 . 0 0 "[ . 1 . ]" 1
287 1 37 TYR QD 1 38 PHE QE 5.000 . 5.000 3.508 3.013 3.807 . 0 0 "[ . 1 . ]" 1
288 1 34 ALA HA 1 37 TYR QD 6.000 . 6.000 3.747 3.392 4.253 . 0 0 "[ . 1 . ]" 1
289 1 37 TYR QD 1 38 PHE QD 5.000 . 5.000 3.515 3.199 3.752 . 0 0 "[ . 1 . ]" 1
290 1 37 TYR QB 1 38 PHE H 2.700 . 2.900 2.021 1.948 2.140 . 0 0 "[ . 1 . ]" 1
291 1 38 PHE H 1 38 PHE QB 3.300 . 3.500 2.207 2.106 2.287 . 0 0 "[ . 1 . ]" 1
292 1 37 TYR HA 1 38 PHE H 5.000 . 5.200 3.585 3.579 3.592 . 0 0 "[ . 1 . ]" 1
293 1 37 TYR QD 1 38 PHE H 5.000 . 5.200 3.042 2.517 3.261 . 0 0 "[ . 1 . ]" 1
294 1 37 TYR QE 1 38 PHE H 5.000 . 5.200 4.954 4.643 5.189 . 0 0 "[ . 1 . ]" 1
295 1 38 PHE H 1 38 PHE QD 3.300 . 3.500 2.998 2.602 3.142 . 0 0 "[ . 1 . ]" 1
296 1 38 PHE H 1 39 THR H 3.300 . 3.500 2.875 2.723 2.990 . 0 0 "[ . 1 . ]" 1
297 1 38 PHE HA 1 41 LEU HG 5.000 . 5.000 4.676 3.802 5.010 0.010 3 0 "[ . 1 . ]" 1
298 1 38 PHE HA 1 41 LEU QB 3.300 . 3.300 2.286 1.946 2.677 . 0 0 "[ . 1 . ]" 1
299 1 38 PHE HA 1 41 LEU QD 3.300 . 3.800 2.569 2.023 3.022 . 0 0 "[ . 1 . ]" 1
300 1 38 PHE HA 1 38 PHE QD 3.300 . 3.300 2.058 1.943 2.422 . 0 0 "[ . 1 . ]" 1
301 1 39 THR MG 1 40 ARG QD 5.000 . 5.500 5.139 4.331 5.480 . 0 0 "[ . 1 . ]" 1
302 1 36 GLU HA 1 39 THR MG 3.300 . 3.800 3.728 3.494 3.832 0.032 2 0 "[ . 1 . ]" 1
303 1 36 GLU HA 1 39 THR HB 3.300 . 3.300 2.751 2.468 2.897 . 0 0 "[ . 1 . ]" 1
304 1 39 THR HA 1 42 ARG QB 5.000 . 5.000 3.239 2.668 3.916 . 0 0 "[ . 1 . ]" 1
305 1 39 THR HA 1 39 THR MG 3.300 . 3.800 2.405 2.300 2.458 . 0 0 "[ . 1 . ]" 1
306 1 40 ARG H 1 40 ARG QD 5.000 . 5.200 4.168 3.343 4.472 . 0 0 "[ . 1 . ]" 1
307 1 40 ARG H 1 41 LEU H 5.000 . 5.200 2.558 2.424 2.686 . 0 0 "[ . 1 . ]" 1
308 1 39 THR H 1 40 ARG H 5.000 . 5.200 2.850 2.731 2.996 . 0 0 "[ . 1 . ]" 1
309 1 39 THR MG 1 40 ARG H 5.000 . 5.700 3.384 3.200 3.633 . 0 0 "[ . 1 . ]" 1
310 1 40 ARG H 1 40 ARG QB 2.700 . 2.900 2.111 1.988 2.203 . 0 0 "[ . 1 . ]" 1
311 1 40 ARG H 1 40 ARG HA 2.700 . 2.900 2.890 2.844 2.928 0.028 1 0 "[ . 1 . ]" 1
312 1 39 THR HB 1 40 ARG H 3.300 . 3.500 2.531 2.266 2.941 . 0 0 "[ . 1 . ]" 1
313 1 37 TYR HA 1 40 ARG H 5.000 . 5.200 3.854 3.599 4.014 . 0 0 "[ . 1 . ]" 1
314 1 39 THR HA 1 40 ARG H 5.000 . 5.200 3.566 3.505 3.594 . 0 0 "[ . 1 . ]" 1
315 1 40 ARG HA 1 43 GLU QB 3.300 . 3.300 3.102 2.871 3.335 0.035 14 0 "[ . 1 . ]" 1
316 1 41 LEU H 1 42 ARG H 3.300 . 3.500 2.668 2.485 2.877 . 0 0 "[ . 1 . ]" 1
317 1 38 PHE HA 1 41 LEU H 3.300 . 3.500 3.277 3.133 3.414 . 0 0 "[ . 1 . ]" 1
318 1 40 ARG QB 1 41 LEU H 2.700 . 2.900 2.765 2.437 2.902 0.002 4 0 "[ . 1 . ]" 1
319 1 41 LEU H 1 41 LEU QB 2.700 . 2.900 1.979 1.927 2.136 . 0 0 "[ . 1 . ]" 1
320 1 41 LEU H 1 41 LEU HG 5.000 . 5.200 3.892 2.501 4.436 . 0 0 "[ . 1 . ]" 1
321 1 41 LEU HA 1 44 ALA MB 3.300 . 3.300 2.330 1.942 2.911 . 0 0 "[ . 1 . ]" 1
322 1 41 LEU HA 1 41 LEU QB 2.700 . 2.700 2.528 2.471 2.550 . 0 0 "[ . 1 . ]" 1
323 1 38 PHE QD 1 41 LEU QB 3.300 . 3.300 3.272 3.072 3.347 0.047 13 0 "[ . 1 . ]" 1
324 1 38 PHE QD 1 41 LEU QD 3.300 . 3.800 2.561 2.151 2.945 . 0 0 "[ . 1 . ]" 1
325 1 38 PHE QE 1 41 LEU QD 5.000 . 5.500 3.338 3.098 3.583 . 0 0 "[ . 1 . ]" 1
326 1 38 PHE QB 1 41 LEU QD 5.000 . 5.500 4.077 3.807 4.472 . 0 0 "[ . 1 . ]" 1
327 1 37 TYR QE 1 41 LEU QD 3.300 . 3.800 2.791 2.221 3.350 . 0 0 "[ . 1 . ]" 1
328 1 41 LEU QD 1 42 ARG H 5.000 . 5.700 4.094 3.751 4.266 . 0 0 "[ . 1 . ]" 1
329 1 41 LEU QB 1 42 ARG H 3.300 . 3.500 2.752 2.548 2.971 . 0 0 "[ . 1 . ]" 1
330 1 42 ARG H 1 42 ARG QB 3.300 . 3.500 2.046 1.931 2.430 . 0 0 "[ . 1 . ]" 1
331 1 38 PHE HA 1 42 ARG H 5.000 . 5.200 4.675 4.386 4.841 . 0 0 "[ . 1 . ]" 1
332 1 42 ARG H 1 42 ARG QG 3.300 . 3.500 3.382 2.071 3.870 0.370 17 0 "[ . 1 . ]" 1
333 1 42 ARG H 1 42 ARG HA 2.700 . 2.900 2.851 2.791 2.915 0.015 4 0 "[ . 1 . ]" 1
334 1 42 ARG HA 1 42 ARG QD 3.300 . 3.300 3.153 1.949 3.384 0.084 12 0 "[ . 1 . ]" 1
335 1 42 ARG QB 1 42 ARG QD 3.300 . 3.300 2.154 1.905 2.690 . 0 0 "[ . 1 . ]" 1
336 1 43 GLU H 1 43 GLU QG 3.300 . 3.500 2.876 2.016 3.499 . 0 0 "[ . 1 . ]" 1
337 1 43 GLU H 1 43 GLU QB 2.700 . 2.900 2.090 1.928 2.388 . 0 0 "[ . 1 . ]" 1
338 1 42 ARG QB 1 43 GLU H 3.300 . 3.500 2.631 2.210 2.910 . 0 0 "[ . 1 . ]" 1
339 1 43 GLU H 1 44 ALA MB 5.000 . 5.700 3.949 3.598 4.264 . 0 0 "[ . 1 . ]" 1
340 1 43 GLU H 1 45 ARG H 6.000 . 6.200 4.897 4.540 5.231 . 0 0 "[ . 1 . ]" 1
341 1 40 ARG HA 1 43 GLU H 5.000 . 5.200 3.515 3.290 3.803 . 0 0 "[ . 1 . ]" 1
342 1 43 GLU H 1 44 ALA H 3.300 . 3.500 2.521 2.173 2.719 . 0 0 "[ . 1 . ]" 1
343 1 44 ALA H 1 44 ALA MB 2.700 . 3.400 1.961 1.916 2.079 . 0 0 "[ . 1 . ]" 1
344 1 41 LEU HA 1 44 ALA H 3.300 . 3.500 3.332 3.055 3.528 0.028 4 0 "[ . 1 . ]" 1
345 1 43 GLU HA 1 44 ALA H 3.300 . 3.500 3.467 3.201 3.545 0.045 9 0 "[ . 1 . ]" 1
346 1 44 ALA H 1 45 ARG H 3.300 . 3.500 2.884 2.557 3.184 . 0 0 "[ . 1 . ]" 1
347 1 43 GLU QB 1 44 ALA H 3.300 . 3.500 2.957 2.690 3.542 0.042 11 0 "[ . 1 . ]" 1
348 1 41 LEU QD 1 44 ALA MB 3.300 . 4.300 3.200 2.534 3.881 . 0 0 "[ . 1 . ]" 1
349 1 45 ARG H 1 45 ARG QB 2.700 . 2.900 2.187 1.947 2.953 0.053 10 0 "[ . 1 . ]" 1
350 1 44 ALA MB 1 45 ARG H 3.300 . 4.000 2.017 1.853 2.194 . 0 0 "[ . 1 . ]" 1
351 1 45 ARG H 1 45 ARG HA 2.700 . 2.900 2.723 2.334 2.790 . 0 0 "[ . 1 . ]" 1
352 1 44 ALA MB 1 45 ARG HA 3.300 . 3.300 3.573 3.559 3.650 0.350 14 0 "[ . 1 . ]" 1
353 1 45 ARG HA 1 45 ARG QD 3.300 . 3.300 2.508 2.075 3.254 . 0 0 "[ . 1 . ]" 1
354 1 45 ARG H 1 46 ARG H 5.000 . 5.200 3.655 2.862 4.703 . 0 0 "[ . 1 . ]" 1
355 1 45 ARG HA 1 46 ARG H 3.300 . 3.500 3.138 2.224 3.579 0.079 16 0 "[ . 1 . ]" 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 355
_Distance_constraint_stats_list.Viol_count 535
_Distance_constraint_stats_list.Viol_total 786.709
_Distance_constraint_stats_list.Viol_max 0.394
_Distance_constraint_stats_list.Viol_rms 0.0376
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0077
_Distance_constraint_stats_list.Viol_average_violations_only 0.0865
_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
2 2 MET 0.000 0.000 . 0 "[ . 1 . ]"
2 3 GLY 0.000 0.000 . 0 "[ . 1 . ]"
2 4 HIS 0.223 0.076 2 0 "[ . 1 . ]"
2 5 ILE 0.356 0.076 2 0 "[ . 1 . ]"
2 6 GLN 0.017 0.012 2 0 "[ . 1 . ]"
2 7 ILE 1.657 0.394 1 0 "[ . 1 . ]"
2 8 PRO 3.775 0.205 11 0 "[ . 1 . ]"
2 9 PRO 0.030 0.014 2 0 "[ . 1 . ]"
2 10 GLY 0.000 0.000 . 0 "[ . 1 . ]"
2 11 LEU 0.265 0.051 16 0 "[ . 1 . ]"
2 12 THR 1.106 0.083 5 0 "[ . 1 . ]"
2 13 GLU 1.100 0.083 5 0 "[ . 1 . ]"
2 14 LEU 0.072 0.036 9 0 "[ . 1 . ]"
2 15 LEU 0.642 0.077 9 0 "[ . 1 . ]"
2 16 GLN 1.728 0.189 7 0 "[ . 1 . ]"
2 17 GLY 0.000 0.000 . 0 "[ . 1 . ]"
2 18 TYR 3.861 0.326 7 0 "[ . 1 . ]"
2 19 THR 1.670 0.128 4 0 "[ . 1 . ]"
2 20 VAL 0.711 0.279 7 0 "[ . 1 . ]"
2 21 GLU 7.342 0.385 11 0 "[ . 1 . ]"
2 22 VAL 6.348 0.385 11 0 "[ . 1 . ]"
2 23 LEU 0.075 0.046 11 0 "[ . 1 . ]"
2 24 ARG 0.029 0.011 4 0 "[ . 1 . ]"
2 25 GLN 1.837 0.329 9 0 "[ . 1 . ]"
2 26 GLN 1.370 0.305 15 0 "[ . 1 . ]"
2 27 PRO 2.371 0.305 15 0 "[ . 1 . ]"
2 28 PRO 1.523 0.100 13 0 "[ . 1 . ]"
2 29 ASP 0.273 0.062 7 0 "[ . 1 . ]"
2 30 LEU 1.664 0.098 15 0 "[ . 1 . ]"
2 31 VAL 3.469 0.177 13 0 "[ . 1 . ]"
2 32 ASP 2.963 0.177 13 0 "[ . 1 . ]"
2 33 PHE 1.861 0.098 15 0 "[ . 1 . ]"
2 34 ALA 1.338 0.079 15 0 "[ . 1 . ]"
2 35 VAL 5.144 0.281 15 0 "[ . 1 . ]"
2 36 GLU 1.806 0.276 2 0 "[ . 1 . ]"
2 37 TYR 0.024 0.012 10 0 "[ . 1 . ]"
2 38 PHE 0.158 0.050 13 0 "[ . 1 . ]"
2 39 THR 0.079 0.031 2 0 "[ . 1 . ]"
2 40 ARG 0.198 0.039 14 0 "[ . 1 . ]"
2 41 LEU 0.176 0.050 13 0 "[ . 1 . ]"
2 42 ARG 2.324 0.370 17 0 "[ . 1 . ]"
2 43 GLU 0.307 0.044 9 0 "[ . 1 . ]"
2 44 ALA 4.917 0.350 14 0 "[ . 1 . ]"
2 45 ARG 5.270 0.350 14 0 "[ . 1 . ]"
2 46 ARG 0.560 0.079 16 0 "[ . 1 . ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 2 2 MET HA 2 3 GLY H 5.000 . 5.200 2.839 2.238 3.584 . 0 0 "[ . 1 . ]" 2
2 2 3 GLY QA 2 4 HIS H 3.300 . 3.500 2.270 2.161 2.510 . 0 0 "[ . 1 . ]" 2
3 2 5 ILE H 2 5 ILE HB 2.700 . 2.900 2.700 2.386 2.929 0.029 11 0 "[ . 1 . ]" 2
4 2 4 HIS HA 2 5 ILE H 3.300 . 3.500 2.719 2.220 3.576 0.076 2 0 "[ . 1 . ]" 2
5 2 4 HIS QB 2 5 ILE H 6.000 . 6.200 3.177 2.140 4.051 . 0 0 "[ . 1 . ]" 2
6 2 5 ILE HA 2 5 ILE QG 3.300 . 3.300 2.492 2.217 2.916 . 0 0 "[ . 1 . ]" 2
7 2 5 ILE HA 2 5 ILE MG 3.300 . 3.300 2.845 2.308 3.202 . 0 0 "[ . 1 . ]" 2
8 2 5 ILE HA 2 5 ILE MD 3.300 . 3.300 2.759 1.955 3.315 0.015 1 0 "[ . 1 . ]" 2
9 2 4 HIS QB 2 5 ILE MG 5.000 . 5.500 4.716 2.939 5.489 . 0 0 "[ . 1 . ]" 2
10 2 5 ILE MD 2 6 GLN H 5.000 . 5.700 4.222 2.599 5.202 . 0 0 "[ . 1 . ]" 2
11 2 6 GLN H 2 6 GLN QB 3.300 . 3.500 2.549 2.182 3.231 . 0 0 "[ . 1 . ]" 2
12 2 5 ILE HA 2 6 GLN H 2.700 . 2.900 2.387 2.218 2.823 . 0 0 "[ . 1 . ]" 2
13 2 6 GLN HA 2 6 GLN QG 3.300 . 3.300 2.327 2.029 3.304 0.004 7 0 "[ . 1 . ]" 2
14 2 6 GLN HA 2 6 GLN QB 2.700 . 2.700 2.445 2.204 2.550 . 0 0 "[ . 1 . ]" 2
15 2 5 ILE MG 2 6 GLN HA 5.000 . 5.500 3.796 3.432 3.990 . 0 0 "[ . 1 . ]" 2
16 2 7 ILE H 2 7 ILE MD 5.000 . 5.700 3.183 1.917 4.089 . 0 0 "[ . 1 . ]" 2
17 2 7 ILE H 2 7 ILE MG 3.300 . 4.000 3.395 1.959 3.831 . 0 0 "[ . 1 . ]" 2
18 2 7 ILE H 2 7 ILE QG 3.300 . 3.500 2.618 1.930 3.894 0.394 1 0 "[ . 1 . ]" 2
19 2 6 GLN QG 2 7 ILE H 5.000 . 5.200 3.971 2.288 4.535 . 0 0 "[ . 1 . ]" 2
20 2 6 GLN HA 2 7 ILE H 2.700 . 2.900 2.566 2.231 2.912 0.012 2 0 "[ . 1 . ]" 2
21 2 7 ILE HA 2 8 PRO QD 2.700 . 2.700 2.040 1.942 2.334 . 0 0 "[ . 1 . ]" 2
22 2 7 ILE HA 2 7 ILE MG 2.700 . 3.200 2.382 2.030 3.187 . 0 0 "[ . 1 . ]" 2
23 2 7 ILE HA 2 7 ILE MD 2.700 . 3.200 2.533 1.902 3.434 0.234 17 0 "[ . 1 . ]" 2
24 2 7 ILE HB 2 8 PRO QD 5.000 . 5.000 3.858 2.059 4.398 . 0 0 "[ . 1 . ]" 2
25 2 8 PRO HA 2 9 PRO QD 2.700 . 2.700 2.015 1.966 2.089 . 0 0 "[ . 1 . ]" 2
26 2 8 PRO HA 2 8 PRO QG 3.300 . 3.300 3.501 3.499 3.505 0.205 11 0 "[ . 1 . ]" 2
27 2 7 ILE MG 2 8 PRO QD 3.300 . 3.800 2.870 1.886 3.899 0.099 1 0 "[ . 1 . ]" 2
28 2 7 ILE MD 2 8 PRO QD 3.300 . 3.800 3.132 2.649 3.880 0.080 4 0 "[ . 1 . ]" 2
29 2 8 PRO QB 2 9 PRO QD 3.300 . 3.300 2.871 2.354 3.314 0.014 2 0 "[ . 1 . ]" 2
30 2 8 PRO QB 2 8 PRO QD 3.300 . 3.800 2.813 2.792 2.844 . 0 0 "[ . 1 . ]" 2
31 2 8 PRO HA 2 9 PRO QG 5.000 . 5.000 3.924 3.869 4.022 . 0 0 "[ . 1 . ]" 2
32 2 9 PRO QB 2 10 GLY H 3.300 . 3.500 2.624 2.075 3.104 . 0 0 "[ . 1 . ]" 2
33 2 9 PRO HA 2 10 GLY H 2.700 . 2.900 2.460 2.277 2.714 . 0 0 "[ . 1 . ]" 2
34 2 10 GLY QA 2 13 GLU QB 5.000 . 5.000 3.166 2.591 3.852 . 0 0 "[ . 1 . ]" 2
35 2 11 LEU H 2 12 THR H 3.300 . 3.500 2.554 2.358 2.818 . 0 0 "[ . 1 . ]" 2
36 2 10 GLY H 2 11 LEU H 3.300 . 3.500 2.852 2.590 3.204 . 0 0 "[ . 1 . ]" 2
37 2 11 LEU H 2 11 LEU QD 3.300 . 4.000 3.456 2.423 3.694 . 0 0 "[ . 1 . ]" 2
38 2 9 PRO QB 2 11 LEU H 5.000 . 5.200 4.560 4.367 4.781 . 0 0 "[ . 1 . ]" 2
39 2 11 LEU H 2 11 LEU QB 2.700 . 2.900 2.108 1.954 2.225 . 0 0 "[ . 1 . ]" 2
40 2 10 GLY QA 2 11 LEU H 3.300 . 3.500 2.796 2.706 2.885 . 0 0 "[ . 1 . ]" 2
41 2 11 LEU H 2 11 LEU HA 2.700 . 2.900 2.905 2.856 2.951 0.051 16 0 "[ . 1 . ]" 2
42 2 9 PRO HA 2 11 LEU H 3.300 . 3.500 3.410 3.265 3.512 0.012 10 0 "[ . 1 . ]" 2
43 2 11 LEU QB 2 12 THR H 3.300 . 3.500 2.647 2.234 3.015 . 0 0 "[ . 1 . ]" 2
44 2 11 LEU HG 2 12 THR H 5.000 . 5.200 4.410 3.323 5.047 . 0 0 "[ . 1 . ]" 2
45 2 12 THR H 2 12 THR HB 2.700 . 2.900 2.471 2.332 2.587 . 0 0 "[ . 1 . ]" 2
46 2 11 LEU QD 2 12 THR H 5.000 . 5.700 3.701 3.150 4.200 . 0 0 "[ . 1 . ]" 2
47 2 12 THR MG 2 16 GLN QG 3.300 . 3.800 3.504 2.900 3.712 . 0 0 "[ . 1 . ]" 2
48 2 12 THR MG 2 16 GLN QB 5.000 . 5.500 3.162 2.522 3.812 . 0 0 "[ . 1 . ]" 2
49 2 12 THR HA 2 15 LEU QB 3.300 . 3.300 2.855 2.480 3.306 0.006 17 0 "[ . 1 . ]" 2
50 2 12 THR HA 2 12 THR MG 2.700 . 3.200 2.349 2.230 2.444 . 0 0 "[ . 1 . ]" 2
51 2 12 THR HA 2 13 GLU H 3.300 . 3.500 3.565 3.505 3.583 0.083 5 0 "[ . 1 . ]" 2
52 2 12 THR H 2 13 GLU H 3.300 . 3.500 2.798 2.571 3.007 . 0 0 "[ . 1 . ]" 2
53 2 12 THR MG 2 13 GLU H 3.300 . 4.000 3.350 2.950 3.747 . 0 0 "[ . 1 . ]" 2
54 2 13 GLU H 2 13 GLU QB 2.700 . 2.900 2.108 1.962 2.294 . 0 0 "[ . 1 . ]" 2
55 2 13 GLU H 2 13 GLU HA 2.700 . 2.900 2.833 2.797 2.898 . 0 0 "[ . 1 . ]" 2
56 2 12 THR MG 2 13 GLU HA 3.300 . 3.800 3.593 3.373 3.762 . 0 0 "[ . 1 . ]" 2
57 2 13 GLU HA 2 16 GLN QB 3.300 . 3.300 2.723 2.320 3.115 . 0 0 "[ . 1 . ]" 2
58 2 14 LEU H 2 15 LEU H 5.000 . 5.200 2.826 2.599 2.976 . 0 0 "[ . 1 . ]" 2
59 2 13 GLU H 2 14 LEU H 3.300 . 3.500 2.830 2.615 2.978 . 0 0 "[ . 1 . ]" 2
60 2 14 LEU H 2 14 LEU QD 3.300 . 4.000 3.102 2.313 3.629 . 0 0 "[ . 1 . ]" 2
61 2 13 GLU HA 2 14 LEU H 5.000 . 5.200 3.566 3.505 3.594 . 0 0 "[ . 1 . ]" 2
62 2 13 GLU QB 2 14 LEU H 3.300 . 3.500 2.480 2.170 2.835 . 0 0 "[ . 1 . ]" 2
63 2 11 LEU HA 2 14 LEU H 5.000 . 5.200 3.609 3.282 3.994 . 0 0 "[ . 1 . ]" 2
64 2 11 LEU HA 2 14 LEU QB 3.300 . 3.300 2.801 2.304 3.298 . 0 0 "[ . 1 . ]" 2
65 2 14 LEU QB 2 14 LEU QD 2.700 . 3.200 1.870 1.764 1.930 0.036 9 0 "[ . 1 . ]" 2
66 2 11 LEU HA 2 14 LEU QD 3.300 . 3.800 3.133 2.225 3.805 0.005 2 0 "[ . 1 . ]" 2
67 2 14 LEU HA 2 15 LEU H 5.000 . 5.200 3.587 3.564 3.593 . 0 0 "[ . 1 . ]" 2
68 2 12 THR HA 2 15 LEU H 5.000 . 5.200 3.703 3.325 4.006 . 0 0 "[ . 1 . ]" 2
69 2 15 LEU H 2 15 LEU QB 2.700 . 2.900 2.148 1.936 2.412 . 0 0 "[ . 1 . ]" 2
70 2 14 LEU QB 2 15 LEU H 3.300 . 3.500 2.342 2.105 2.677 . 0 0 "[ . 1 . ]" 2
71 2 15 LEU H 2 15 LEU QD 2.700 . 3.400 2.544 2.011 2.975 . 0 0 "[ . 1 . ]" 2
72 2 15 LEU H 2 16 GLN H 3.300 . 3.500 2.803 2.738 2.922 . 0 0 "[ . 1 . ]" 2
73 2 15 LEU HA 2 18 TYR QB 3.300 . 3.300 2.932 2.743 3.165 . 0 0 "[ . 1 . ]" 2
74 2 15 LEU QB 2 15 LEU QD 2.700 . 3.200 1.946 1.889 2.038 . 0 0 "[ . 1 . ]" 2
75 2 15 LEU HA 2 15 LEU QD 2.700 . 3.200 1.997 1.769 2.409 0.031 2 0 "[ . 1 . ]" 2
76 2 16 GLN H 2 17 GLY H 3.300 . 3.500 2.803 2.764 2.855 . 0 0 "[ . 1 . ]" 2
77 2 16 GLN H 2 16 GLN QG 3.300 . 3.500 3.470 3.272 3.689 0.189 7 0 "[ . 1 . ]" 2
78 2 16 GLN H 2 16 GLN QB 2.700 . 2.900 1.942 1.929 1.963 . 0 0 "[ . 1 . ]" 2
79 2 16 GLN H 2 16 GLN HA 2.700 . 2.900 2.818 2.802 2.832 . 0 0 "[ . 1 . ]" 2
80 2 16 GLN HA 2 16 GLN QG 2.700 . 2.700 2.131 2.021 2.192 . 0 0 "[ . 1 . ]" 2
81 2 16 GLN HA 2 19 THR MG 3.300 . 3.800 3.875 3.805 3.928 0.128 4 0 "[ . 1 . ]" 2
82 2 17 GLY H 2 18 TYR H 5.000 . 5.200 2.886 2.812 2.964 . 0 0 "[ . 1 . ]" 2
83 2 14 LEU HA 2 17 GLY H 6.000 . 6.200 3.707 3.548 3.898 . 0 0 "[ . 1 . ]" 2
84 2 16 GLN QB 2 17 GLY H 3.300 . 3.500 2.676 2.516 2.895 . 0 0 "[ . 1 . ]" 2
85 2 17 GLY QA 2 20 VAL HB 3.300 . 3.300 2.834 2.626 3.032 . 0 0 "[ . 1 . ]" 2
86 2 17 GLY QA 2 20 VAL MG2 5.000 . 5.500 3.000 2.500 3.831 . 0 0 "[ . 1 . ]" 2
87 2 18 TYR H 2 18 TYR QB 3.300 . 3.500 1.979 1.956 2.016 . 0 0 "[ . 1 . ]" 2
88 2 17 GLY QA 2 18 TYR H 5.000 . 5.200 2.583 2.532 2.622 . 0 0 "[ . 1 . ]" 2
89 2 15 LEU HA 2 18 TYR H 3.300 . 3.500 3.535 3.485 3.577 0.077 9 0 "[ . 1 . ]" 2
90 2 18 TYR H 2 18 TYR QD 3.300 . 3.500 3.662 3.567 3.826 0.326 7 0 "[ . 1 . ]" 2
91 2 18 TYR HA 2 21 GLU QB 5.000 . 5.000 2.792 1.832 3.054 . 0 0 "[ . 1 . ]" 2
92 2 18 TYR HA 2 18 TYR QD 2.700 . 2.700 1.993 1.882 2.122 . 0 0 "[ . 1 . ]" 2
93 2 18 TYR HA 2 18 TYR QE 5.000 . 5.000 4.083 4.075 4.102 . 0 0 "[ . 1 . ]" 2
94 2 18 TYR H 2 19 THR H 5.000 . 5.200 2.916 2.853 2.980 . 0 0 "[ . 1 . ]" 2
95 2 16 GLN QB 2 19 THR H 5.000 . 5.200 4.947 4.803 5.028 . 0 0 "[ . 1 . ]" 2
96 2 18 TYR QB 2 19 THR H 3.300 . 3.500 2.431 2.271 2.622 . 0 0 "[ . 1 . ]" 2
97 2 18 TYR HA 2 19 THR H 5.000 . 5.200 3.566 3.543 3.597 . 0 0 "[ . 1 . ]" 2
98 2 16 GLN HA 2 19 THR H 5.000 . 5.200 3.493 3.370 3.572 . 0 0 "[ . 1 . ]" 2
99 2 19 THR H 2 19 THR HB 3.300 . 3.500 2.538 2.281 2.857 . 0 0 "[ . 1 . ]" 2
100 2 18 TYR QD 2 19 THR H 5.000 . 5.200 4.306 4.148 4.476 . 0 0 "[ . 1 . ]" 2
101 2 16 GLN HA 2 19 THR HB 3.300 . 3.300 2.932 2.695 3.251 . 0 0 "[ . 1 . ]" 2
102 2 19 THR HA 2 22 VAL HB 3.300 . 3.300 3.216 3.013 3.400 0.100 3 0 "[ . 1 . ]" 2
103 2 19 THR HA 2 19 THR MG 3.300 . 3.800 2.331 2.050 2.502 . 0 0 "[ . 1 . ]" 2
104 2 19 THR HA 2 22 VAL MG2 3.300 . 3.800 3.685 3.272 3.851 0.051 12 0 "[ . 1 . ]" 2
105 2 19 THR HA 2 22 VAL MG1 5.000 3.500 5.500 4.454 4.172 4.687 . 0 0 "[ . 1 . ]" 2
106 2 16 GLN HA 2 19 THR HA 6.000 . 6.000 5.376 5.313 5.485 . 0 0 "[ . 1 . ]" 2
107 2 19 THR MG 2 23 LEU QD 2.700 . 3.700 2.925 2.131 3.464 . 0 0 "[ . 1 . ]" 2
108 2 19 THR MG 2 22 VAL HB 5.000 . 5.500 4.707 4.468 4.861 . 0 0 "[ . 1 . ]" 2
109 2 19 THR MG 2 22 VAL MG1 5.000 . 6.000 5.262 4.880 5.528 . 0 0 "[ . 1 . ]" 2
110 2 19 THR MG 2 22 VAL MG2 5.000 . 6.000 5.087 4.577 5.294 . 0 0 "[ . 1 . ]" 2
111 2 19 THR HB 2 20 VAL H 3.300 . 3.500 2.581 2.177 2.721 . 0 0 "[ . 1 . ]" 2
112 2 17 GLY QA 2 20 VAL H 5.000 . 5.200 3.310 3.172 3.564 . 0 0 "[ . 1 . ]" 2
113 2 20 VAL H 2 20 VAL HB 3.300 . 3.500 2.332 2.076 2.417 . 0 0 "[ . 1 . ]" 2
114 2 20 VAL H 2 20 VAL MG2 2.700 . 3.400 2.258 2.046 2.662 . 0 0 "[ . 1 . ]" 2
115 2 19 THR H 2 20 VAL H 5.000 . 5.200 2.750 2.613 2.960 . 0 0 "[ . 1 . ]" 2
116 2 20 VAL H 2 21 GLU H 3.300 . 3.500 2.467 2.371 2.611 . 0 0 "[ . 1 . ]" 2
117 2 20 VAL HA 2 23 LEU QB 3.300 . 3.300 2.841 2.359 3.165 . 0 0 "[ . 1 . ]" 2
118 2 20 VAL HA 2 23 LEU QD 3.300 . 3.800 3.413 2.870 3.846 0.046 11 0 "[ . 1 . ]" 2
119 2 20 VAL HA 2 20 VAL MG2 2.700 . 3.200 2.320 2.038 2.426 . 0 0 "[ . 1 . ]" 2
120 2 20 VAL HA 2 20 VAL MG1 2.700 . 3.200 2.383 2.254 2.664 . 0 0 "[ . 1 . ]" 2
121 2 19 THR MG 2 20 VAL HA 5.000 . 5.500 3.804 3.385 4.315 . 0 0 "[ . 1 . ]" 2
122 2 20 VAL MG1 2 21 GLU QG 3.300 . 3.800 3.586 3.387 4.079 0.279 7 0 "[ . 1 . ]" 2
123 2 16 GLN QG 2 20 VAL MG2 3.300 . 3.800 3.699 3.401 3.895 0.095 7 0 "[ . 1 . ]" 2
124 2 19 THR HB 2 20 VAL MG2 3.300 . 3.800 2.909 2.641 3.622 . 0 0 "[ . 1 . ]" 2
125 2 21 GLU H 2 21 GLU QG 3.300 . 3.500 2.162 1.946 3.608 0.108 3 0 "[ . 1 . ]" 2
126 2 21 GLU H 2 21 GLU QB 2.700 . 2.900 2.638 1.902 2.783 . 0 0 "[ . 1 . ]" 2
127 2 20 VAL MG2 2 21 GLU H 5.000 . 5.700 3.926 3.859 4.009 . 0 0 "[ . 1 . ]" 2
128 2 20 VAL MG1 2 21 GLU H 5.000 . 5.700 3.611 2.803 3.801 . 0 0 "[ . 1 . ]" 2
129 2 21 GLU HA 2 24 ARG QD 5.000 . 5.000 4.841 4.544 5.011 0.011 4 0 "[ . 1 . ]" 2
130 2 21 GLU HA 2 21 GLU QG 2.700 . 2.700 2.637 1.919 2.769 0.069 17 0 "[ . 1 . ]" 2
131 2 21 GLU HA 2 21 GLU QB 2.700 . 2.700 2.289 2.239 2.539 . 0 0 "[ . 1 . ]" 2
132 2 21 GLU HA 2 24 ARG QB 3.300 . 3.300 2.745 2.349 3.112 . 0 0 "[ . 1 . ]" 2
133 2 21 GLU HA 2 24 ARG QG 5.000 . 5.000 4.417 3.486 5.007 0.007 7 0 "[ . 1 . ]" 2
134 2 21 GLU QB 2 22 VAL MG2 5.000 . 5.500 2.643 2.522 2.825 . 0 0 "[ . 1 . ]" 2
135 2 18 TYR QD 2 21 GLU QG 3.300 . 3.300 3.325 3.274 3.492 0.192 7 0 "[ . 1 . ]" 2
136 2 22 VAL H 2 23 LEU H 3.300 . 3.500 2.796 2.732 2.884 . 0 0 "[ . 1 . ]" 2
137 2 21 GLU H 2 22 VAL H 3.300 . 3.500 2.618 2.384 3.158 . 0 0 "[ . 1 . ]" 2
138 2 21 GLU HA 2 22 VAL H 5.000 . 5.200 3.560 3.549 3.570 . 0 0 "[ . 1 . ]" 2
139 2 19 THR HA 2 22 VAL H 5.000 . 5.200 4.149 3.930 4.271 . 0 0 "[ . 1 . ]" 2
140 2 21 GLU QB 2 22 VAL H 5.000 . 5.200 2.078 1.912 2.350 . 0 0 "[ . 1 . ]" 2
141 2 22 VAL H 2 30 LEU QD 5.000 . 5.700 4.705 4.539 4.992 . 0 0 "[ . 1 . ]" 2
142 2 22 VAL H 2 22 VAL MG2 3.300 . 4.000 1.902 1.879 2.002 . 0 0 "[ . 1 . ]" 2
143 2 22 VAL HA 2 25 GLN QB 5.000 . 5.000 3.877 3.146 5.049 0.049 12 0 "[ . 1 . ]" 2
144 2 22 VAL HA 2 22 VAL MG2 3.300 . 3.800 2.375 2.299 2.434 . 0 0 "[ . 1 . ]" 2
145 2 22 VAL HA 2 22 VAL MG1 3.300 . 3.800 2.361 2.270 2.443 . 0 0 "[ . 1 . ]" 2
146 2 22 VAL HA 2 27 PRO QD 3.300 . 3.300 2.356 1.862 2.754 . 0 0 "[ . 1 . ]" 2
147 2 22 VAL HA 2 26 GLN HA 5.000 . 5.000 3.846 3.273 4.296 . 0 0 "[ . 1 . ]" 2
148 2 22 VAL HA 2 33 PHE QD 5.000 . 5.000 4.340 3.982 4.713 . 0 0 "[ . 1 . ]" 2
149 2 22 VAL HA 2 33 PHE QE 5.000 . 5.000 3.446 2.848 3.922 . 0 0 "[ . 1 . ]" 2
150 2 21 GLU QG 2 22 VAL MG1 5.000 . 5.500 5.830 5.769 5.885 0.385 11 0 "[ . 1 . ]" 2
151 2 21 GLU QG 2 22 VAL MG2 5.000 . 5.500 3.743 3.636 4.054 . 0 0 "[ . 1 . ]" 2
152 2 22 VAL MG2 2 23 LEU H 5.000 . 5.700 3.819 3.757 3.892 . 0 0 "[ . 1 . ]" 2
153 2 20 VAL HA 2 23 LEU H 5.000 . 5.200 3.881 3.572 4.125 . 0 0 "[ . 1 . ]" 2
154 2 22 VAL HA 2 23 LEU H 5.000 . 5.200 3.539 3.492 3.574 . 0 0 "[ . 1 . ]" 2
155 2 23 LEU H 2 23 LEU QB 3.300 . 3.500 2.124 1.945 2.217 . 0 0 "[ . 1 . ]" 2
156 2 23 LEU H 2 23 LEU QD 3.300 . 4.000 3.355 1.989 3.705 . 0 0 "[ . 1 . ]" 2
157 2 20 VAL MG2 2 23 LEU H 5.000 . 5.700 5.372 5.175 5.541 . 0 0 "[ . 1 . ]" 2
158 2 23 LEU H 2 23 LEU HG 5.000 . 5.700 4.006 2.729 4.421 . 0 0 "[ . 1 . ]" 2
159 2 23 LEU H 2 24 ARG H 3.300 . 3.500 2.459 2.317 2.603 . 0 0 "[ . 1 . ]" 2
160 2 23 LEU QB 2 23 LEU QD 2.700 . 3.200 1.882 1.771 2.005 0.029 15 0 "[ . 1 . ]" 2
161 2 24 ARG H 2 25 GLN H 3.300 . 3.500 2.615 2.295 2.930 . 0 0 "[ . 1 . ]" 2
162 2 23 LEU QD 2 24 ARG H 5.000 . 5.700 3.976 3.620 4.270 . 0 0 "[ . 1 . ]" 2
163 2 23 LEU QB 2 24 ARG H 5.000 . 5.200 2.711 2.523 2.981 . 0 0 "[ . 1 . ]" 2
164 2 24 ARG HA 2 24 ARG QD 3.300 . 3.300 2.859 2.199 3.297 . 0 0 "[ . 1 . ]" 2
165 2 20 VAL MG1 2 24 ARG QD 5.000 . 5.500 3.715 2.659 4.958 . 0 0 "[ . 1 . ]" 2
166 2 25 GLN H 2 26 GLN H 3.300 . 3.500 2.684 2.190 3.394 . 0 0 "[ . 1 . ]" 2
167 2 25 GLN H 2 25 GLN HA 2.700 . 2.900 2.884 2.807 2.988 0.088 15 0 "[ . 1 . ]" 2
168 2 25 GLN H 2 26 GLN HA 5.000 . 5.200 4.930 4.274 5.209 0.009 1 0 "[ . 1 . ]" 2
169 2 22 VAL HA 2 25 GLN H 5.000 . 5.200 4.174 3.705 4.715 . 0 0 "[ . 1 . ]" 2
170 2 25 GLN H 2 25 GLN QG 3.300 . 3.500 2.859 1.907 3.829 0.329 9 0 "[ . 1 . ]" 2
171 2 25 GLN H 2 25 GLN QB 3.300 . 3.500 2.223 1.937 2.977 . 0 0 "[ . 1 . ]" 2
172 2 25 GLN QG 2 33 PHE QD 5.000 . 5.000 4.905 4.416 5.029 0.029 7 0 "[ . 1 . ]" 2
173 2 25 GLN HA 2 26 GLN H 3.300 . 3.500 3.449 2.744 3.568 0.068 3 0 "[ . 1 . ]" 2
174 2 26 GLN H 2 27 PRO QD 3.300 . 3.500 2.585 2.260 3.805 0.305 15 0 "[ . 1 . ]" 2
175 2 26 GLN H 2 26 GLN QG 3.300 . 3.500 3.268 2.623 3.509 0.009 8 0 "[ . 1 . ]" 2
176 2 25 GLN QB 2 26 GLN H 5.000 . 5.200 2.994 2.448 4.060 . 0 0 "[ . 1 . ]" 2
177 2 26 GLN H 2 26 GLN QB 2.700 . 2.900 2.792 2.032 2.943 0.043 10 0 "[ . 1 . ]" 2
178 2 26 GLN HA 2 27 PRO QD 3.300 . 3.300 2.228 1.964 2.402 . 0 0 "[ . 1 . ]" 2
179 2 26 GLN HA 2 26 GLN QG 2.700 . 2.700 2.076 1.934 2.291 . 0 0 "[ . 1 . ]" 2
180 2 26 GLN HA 2 26 GLN QB 2.700 . 2.700 2.543 2.505 2.551 . 0 0 "[ . 1 . ]" 2
181 2 26 GLN HA 2 27 PRO QG 5.000 . 5.000 4.090 3.878 4.225 . 0 0 "[ . 1 . ]" 2
182 2 22 VAL MG1 2 26 GLN HA 5.000 . 5.500 3.491 2.835 4.068 . 0 0 "[ . 1 . ]" 2
183 2 26 GLN HA 2 30 LEU QD 5.000 . 5.500 5.312 4.520 5.524 0.024 14 0 "[ . 1 . ]" 2
184 2 26 GLN QG 2 27 PRO QD 5.000 . 5.000 3.789 3.362 4.245 . 0 0 "[ . 1 . ]" 2
185 2 27 PRO HA 2 28 PRO QD 2.700 . 2.700 2.119 2.052 2.247 . 0 0 "[ . 1 . ]" 2
186 2 27 PRO HA 2 27 PRO QD 3.300 . 3.300 3.402 3.377 3.522 0.222 7 0 "[ . 1 . ]" 2
187 2 25 GLN QB 2 27 PRO QD 5.000 . 5.000 2.736 1.881 4.125 . 0 0 "[ . 1 . ]" 2
188 2 22 VAL MG2 2 27 PRO QD 5.000 . 5.500 3.658 3.186 3.953 . 0 0 "[ . 1 . ]" 2
189 2 22 VAL MG1 2 27 PRO QD 3.300 . 3.800 2.610 1.965 3.024 . 0 0 "[ . 1 . ]" 2
190 2 27 PRO QG 2 30 LEU QD 2.700 . 3.200 3.071 2.526 3.239 0.039 4 0 "[ . 1 . ]" 2
191 2 22 VAL MG2 2 27 PRO QB 5.000 . 5.500 5.137 4.340 5.540 0.040 3 0 "[ . 1 . ]" 2
192 2 27 PRO QB 2 28 PRO QD 3.300 . 3.300 2.369 1.989 2.612 . 0 0 "[ . 1 . ]" 2
193 2 27 PRO QB 2 33 PHE QD 5.000 . 5.000 3.502 2.894 3.906 . 0 0 "[ . 1 . ]" 2
194 2 27 PRO QB 2 33 PHE QB 3.300 . 3.300 2.755 2.311 3.084 . 0 0 "[ . 1 . ]" 2
195 2 22 VAL MG2 2 27 PRO QG 5.000 . 5.500 3.486 2.757 3.860 . 0 0 "[ . 1 . ]" 2
196 2 22 VAL MG1 2 27 PRO QG 5.000 . 5.500 3.131 2.347 3.624 . 0 0 "[ . 1 . ]" 2
197 2 28 PRO HA 2 28 PRO QD 3.300 . 3.300 3.390 3.378 3.400 0.100 13 0 "[ . 1 . ]" 2
198 2 27 PRO HA 2 29 ASP H 5.000 . 5.200 4.141 3.938 4.457 . 0 0 "[ . 1 . ]" 2
199 2 28 PRO HA 2 29 ASP H 5.000 . 5.200 3.530 3.476 3.572 . 0 0 "[ . 1 . ]" 2
200 2 28 PRO QD 2 29 ASP H 3.300 . 3.500 2.550 2.511 2.628 . 0 0 "[ . 1 . ]" 2
201 2 29 ASP H 2 29 ASP QB 3.300 . 3.500 2.516 2.336 3.026 . 0 0 "[ . 1 . ]" 2
202 2 27 PRO QB 2 29 ASP H 3.300 . 3.500 2.562 2.294 2.881 . 0 0 "[ . 1 . ]" 2
203 2 29 ASP H 2 32 ASP QB 5.000 . 5.200 4.802 4.294 5.195 . 0 0 "[ . 1 . ]" 2
204 2 29 ASP HA 2 29 ASP QB 2.700 . 2.700 2.417 2.204 2.537 . 0 0 "[ . 1 . ]" 2
205 2 29 ASP HA 2 30 LEU QB 5.000 . 5.000 4.133 4.032 4.505 . 0 0 "[ . 1 . ]" 2
206 2 30 LEU H 2 30 LEU QD 3.300 . 4.000 3.376 1.993 3.699 . 0 0 "[ . 1 . ]" 2
207 2 30 LEU H 2 30 LEU QB 2.700 . 2.900 2.219 2.072 2.425 . 0 0 "[ . 1 . ]" 2
208 2 29 ASP QB 2 30 LEU H 3.300 . 3.500 3.500 3.417 3.562 0.062 7 0 "[ . 1 . ]" 2
209 2 29 ASP HA 2 30 LEU H 2.700 . 2.900 2.217 2.208 2.298 . 0 0 "[ . 1 . ]" 2
210 2 30 LEU H 2 31 VAL H 3.300 . 3.500 2.487 2.365 2.649 . 0 0 "[ . 1 . ]" 2
211 2 29 ASP H 2 30 LEU H 6.000 . 6.200 4.240 4.124 4.393 . 0 0 "[ . 1 . ]" 2
212 2 30 LEU HA 2 33 PHE QB 3.300 . 3.300 2.107 2.046 2.211 . 0 0 "[ . 1 . ]" 2
213 2 22 VAL MG1 2 30 LEU HA 5.000 . 5.500 4.189 3.909 4.470 . 0 0 "[ . 1 . ]" 2
214 2 30 LEU QB 2 30 LEU QD 2.700 . 3.200 1.832 1.767 1.985 0.033 9 0 "[ . 1 . ]" 2
215 2 30 LEU QD 2 33 PHE QB 5.000 . 5.500 3.358 2.525 4.075 . 0 0 "[ . 1 . ]" 2
216 2 27 PRO QD 2 30 LEU QD 3.300 . 3.800 3.701 2.997 3.825 0.025 16 0 "[ . 1 . ]" 2
217 2 22 VAL MG2 2 30 LEU QD 2.700 . 3.700 1.977 1.842 2.272 . 0 0 "[ . 1 . ]" 2
218 2 22 VAL MG1 2 30 LEU QD 2.700 . 3.700 1.821 1.752 1.926 0.048 5 0 "[ . 1 . ]" 2
219 2 22 VAL HB 2 30 LEU QD 3.300 . 3.800 3.708 3.551 3.841 0.041 16 0 "[ . 1 . ]" 2
220 2 22 VAL HA 2 30 LEU QD 5.000 . 5.500 3.868 3.573 4.241 . 0 0 "[ . 1 . ]" 2
221 2 18 TYR QD 2 30 LEU QD 3.300 . 3.800 3.513 3.212 3.782 . 0 0 "[ . 1 . ]" 2
222 2 18 TYR QE 2 30 LEU QD 5.000 . 5.500 2.226 1.812 2.833 . 0 0 "[ . 1 . ]" 2
223 2 31 VAL H 2 32 ASP H 3.300 . 3.500 3.062 2.907 3.169 . 0 0 "[ . 1 . ]" 2
224 2 29 ASP HA 2 31 VAL H 5.000 . 5.200 3.872 3.658 4.272 . 0 0 "[ . 1 . ]" 2
225 2 31 VAL H 2 31 VAL HB 3.300 . 3.500 2.546 2.520 2.571 . 0 0 "[ . 1 . ]" 2
226 2 31 VAL H 2 31 VAL MG1 3.300 . 4.000 3.699 3.695 3.701 . 0 0 "[ . 1 . ]" 2
227 2 31 VAL H 2 31 VAL MG2 2.700 . 3.400 1.994 1.908 2.042 . 0 0 "[ . 1 . ]" 2
228 2 31 VAL HA 2 31 VAL MG2 2.700 . 3.200 2.322 2.284 2.394 . 0 0 "[ . 1 . ]" 2
229 2 31 VAL HA 2 31 VAL MG1 2.700 . 3.200 2.349 2.242 2.415 . 0 0 "[ . 1 . ]" 2
230 2 31 VAL HA 2 34 ALA MB 3.300 . 3.800 2.878 2.771 2.969 . 0 0 "[ . 1 . ]" 2
231 2 30 LEU QB 2 31 VAL MG2 5.000 . 5.500 3.204 2.999 3.321 . 0 0 "[ . 1 . ]" 2
232 2 30 LEU QD 2 31 VAL MG2 2.700 . 3.700 3.601 3.239 3.729 0.029 8 0 "[ . 1 . ]" 2
233 2 31 VAL MG1 2 32 ASP HA 5.000 . 5.500 3.515 3.360 3.658 . 0 0 "[ . 1 . ]" 2
234 2 31 VAL MG2 2 32 ASP H 3.300 . 4.000 3.557 3.532 3.604 . 0 0 "[ . 1 . ]" 2
235 2 31 VAL MG1 2 32 ASP H 3.300 . 4.000 3.045 2.896 3.288 . 0 0 "[ . 1 . ]" 2
236 2 31 VAL HB 2 32 ASP H 3.300 . 3.500 1.981 1.926 2.152 . 0 0 "[ . 1 . ]" 2
237 2 32 ASP H 2 32 ASP QB 2.700 . 2.900 1.959 1.908 2.033 . 0 0 "[ . 1 . ]" 2
238 2 29 ASP QB 2 32 ASP H 5.000 . 5.200 2.833 2.575 3.056 . 0 0 "[ . 1 . ]" 2
239 2 31 VAL HA 2 32 ASP H 5.000 . 5.200 3.574 3.569 3.576 . 0 0 "[ . 1 . ]" 2
240 2 32 ASP H 2 33 PHE H 3.300 . 3.500 2.760 2.662 2.823 . 0 0 "[ . 1 . ]" 2
241 2 32 ASP HA 2 35 VAL HB 3.300 . 3.300 2.801 2.582 3.129 . 0 0 "[ . 1 . ]" 2
242 2 29 ASP QB 2 32 ASP QB 3.300 . 3.300 2.634 2.176 2.888 . 0 0 "[ . 1 . ]" 2
243 2 31 VAL HB 2 32 ASP QB 3.300 . 3.300 3.444 3.410 3.477 0.177 13 0 "[ . 1 . ]" 2
244 2 33 PHE HA 2 36 GLU QG 3.300 . 3.300 3.243 3.054 3.372 0.072 10 0 "[ . 1 . ]" 2
245 2 33 PHE HA 2 36 GLU QB 2.700 . 2.700 2.507 2.156 2.719 0.019 4 0 "[ . 1 . ]" 2
246 2 30 LEU HA 2 33 PHE HA 5.000 . 5.000 5.053 5.021 5.098 0.098 15 0 "[ . 1 . ]" 2
247 2 33 PHE HA 2 33 PHE QD 3.300 . 3.300 2.272 2.093 2.445 . 0 0 "[ . 1 . ]" 2
248 2 33 PHE HA 2 33 PHE QE 5.000 . 5.000 4.412 4.318 4.479 . 0 0 "[ . 1 . ]" 2
249 2 34 ALA H 2 34 ALA MB 2.700 . 3.400 1.966 1.912 2.150 . 0 0 "[ . 1 . ]" 2
250 2 33 PHE QB 2 34 ALA H 5.000 . 5.200 2.323 2.162 2.429 . 0 0 "[ . 1 . ]" 2
251 2 33 PHE HA 2 34 ALA H 5.000 . 5.200 3.578 3.567 3.589 . 0 0 "[ . 1 . ]" 2
252 2 33 PHE QD 2 34 ALA H 3.300 . 3.500 3.522 3.466 3.560 0.060 15 0 "[ . 1 . ]" 2
253 2 34 ALA HA 2 37 TYR QB 3.300 . 3.300 2.798 2.533 3.061 . 0 0 "[ . 1 . ]" 2
254 2 33 PHE QD 2 34 ALA MB 5.000 . 5.500 4.047 3.898 4.184 . 0 0 "[ . 1 . ]" 2
255 2 31 VAL MG2 2 34 ALA MB 3.300 . 4.300 4.355 4.341 4.379 0.079 15 0 "[ . 1 . ]" 2
256 2 31 VAL MG1 2 34 ALA MB 3.300 . 4.300 4.016 3.919 4.174 . 0 0 "[ . 1 . ]" 2
257 2 34 ALA MB 2 35 VAL H 5.000 . 5.700 2.603 2.431 2.774 . 0 0 "[ . 1 . ]" 2
258 2 35 VAL H 2 35 VAL MG2 2.700 . 3.400 2.122 1.976 2.331 . 0 0 "[ . 1 . ]" 2
259 2 35 VAL H 2 35 VAL MG1 2.700 . 3.400 3.672 3.657 3.681 0.281 15 0 "[ . 1 . ]" 2
260 2 35 VAL H 2 35 VAL HB 3.300 . 3.500 2.307 2.222 2.410 . 0 0 "[ . 1 . ]" 2
261 2 34 ALA HA 2 35 VAL H 5.000 . 5.200 3.560 3.527 3.583 . 0 0 "[ . 1 . ]" 2
262 2 32 ASP HA 2 35 VAL H 3.300 . 3.500 3.527 3.467 3.558 0.058 9 0 "[ . 1 . ]" 2
263 2 35 VAL HA 2 35 VAL MG2 2.700 . 3.200 2.322 2.231 2.392 . 0 0 "[ . 1 . ]" 2
264 2 35 VAL HA 2 35 VAL MG1 2.700 . 3.200 2.343 2.285 2.475 . 0 0 "[ . 1 . ]" 2
265 2 35 VAL MG1 2 36 GLU HA 6.000 . 6.500 3.495 3.306 3.737 . 0 0 "[ . 1 . ]" 2
266 2 35 VAL MG2 2 36 GLU H 3.300 . 4.000 3.790 3.639 3.930 . 0 0 "[ . 1 . ]" 2
267 2 35 VAL MG1 2 36 GLU H 5.000 . 5.700 3.260 3.065 3.639 . 0 0 "[ . 1 . ]" 2
268 2 36 GLU H 2 36 GLU QB 3.300 . 3.500 2.244 2.015 2.406 . 0 0 "[ . 1 . ]" 2
269 2 35 VAL HA 2 36 GLU H 5.000 . 5.200 3.574 3.509 3.594 . 0 0 "[ . 1 . ]" 2
270 2 33 PHE HA 2 36 GLU H 3.300 . 3.500 3.434 3.234 3.536 0.036 15 0 "[ . 1 . ]" 2
271 2 35 VAL H 2 36 GLU H 3.300 . 3.500 2.605 2.435 2.756 . 0 0 "[ . 1 . ]" 2
272 2 36 GLU H 2 36 GLU QG 3.300 . 3.500 2.689 2.012 3.776 0.276 2 0 "[ . 1 . ]" 2
273 2 36 GLU HA 2 36 GLU QG 3.300 . 3.300 2.505 2.255 3.133 . 0 0 "[ . 1 . ]" 2
274 2 36 GLU QB 2 37 TYR H 3.300 . 3.500 2.719 2.316 2.977 . 0 0 "[ . 1 . ]" 2
275 2 37 TYR H 2 37 TYR QB 2.700 . 2.900 2.172 2.156 2.192 . 0 0 "[ . 1 . ]" 2
276 2 36 GLU HA 2 37 TYR H 5.000 . 5.200 3.531 3.481 3.592 . 0 0 "[ . 1 . ]" 2
277 2 37 TYR H 2 37 TYR QD 5.000 . 5.200 4.147 4.132 4.158 . 0 0 "[ . 1 . ]" 2
278 2 36 GLU H 2 37 TYR H 3.300 . 3.500 2.672 2.407 3.022 . 0 0 "[ . 1 . ]" 2
279 2 37 TYR H 2 38 PHE H 5.000 . 5.200 2.897 2.737 3.099 . 0 0 "[ . 1 . ]" 2
280 2 37 TYR H 2 38 PHE QD 5.000 . 5.200 5.027 4.625 5.212 0.012 10 0 "[ . 1 . ]" 2
281 2 34 ALA HA 2 37 TYR H 5.000 . 5.200 3.767 3.492 4.053 . 0 0 "[ . 1 . ]" 2
282 2 37 TYR HA 2 37 TYR QD 3.300 . 3.300 2.213 2.006 2.795 . 0 0 "[ . 1 . ]" 2
283 2 37 TYR HA 2 40 ARG QD 5.000 . 5.000 4.402 3.417 4.989 . 0 0 "[ . 1 . ]" 2
284 2 37 TYR HA 2 37 TYR QB 2.700 . 2.700 2.354 2.335 2.380 . 0 0 "[ . 1 . ]" 2
285 2 37 TYR HA 2 40 ARG QB 3.300 . 3.300 3.055 2.839 3.277 . 0 0 "[ . 1 . ]" 2
286 2 37 TYR QB 2 37 TYR QD 2.700 . 2.700 2.197 2.159 2.228 . 0 0 "[ . 1 . ]" 2
287 2 37 TYR QD 2 38 PHE QE 5.000 . 5.000 3.507 3.013 3.805 . 0 0 "[ . 1 . ]" 2
288 2 34 ALA HA 2 37 TYR QD 6.000 . 6.000 3.747 3.393 4.254 . 0 0 "[ . 1 . ]" 2
289 2 37 TYR QD 2 38 PHE QD 5.000 . 5.000 3.516 3.203 3.751 . 0 0 "[ . 1 . ]" 2
290 2 37 TYR QB 2 38 PHE H 2.700 . 2.900 2.022 1.951 2.141 . 0 0 "[ . 1 . ]" 2
291 2 38 PHE H 2 38 PHE QB 3.300 . 3.500 2.207 2.104 2.286 . 0 0 "[ . 1 . ]" 2
292 2 37 TYR HA 2 38 PHE H 5.000 . 5.200 3.585 3.576 3.591 . 0 0 "[ . 1 . ]" 2
293 2 37 TYR QD 2 38 PHE H 5.000 . 5.200 3.043 2.517 3.261 . 0 0 "[ . 1 . ]" 2
294 2 37 TYR QE 2 38 PHE H 5.000 . 5.200 4.955 4.644 5.185 . 0 0 "[ . 1 . ]" 2
295 2 38 PHE H 2 38 PHE QD 3.300 . 3.500 2.997 2.600 3.144 . 0 0 "[ . 1 . ]" 2
296 2 38 PHE H 2 39 THR H 3.300 . 3.500 2.874 2.720 2.981 . 0 0 "[ . 1 . ]" 2
297 2 38 PHE HA 2 41 LEU HG 5.000 . 5.000 4.676 3.799 5.005 0.005 3 0 "[ . 1 . ]" 2
298 2 38 PHE HA 2 41 LEU QB 3.300 . 3.300 2.286 1.946 2.674 . 0 0 "[ . 1 . ]" 2
299 2 38 PHE HA 2 41 LEU QD 3.300 . 3.800 2.569 2.023 3.022 . 0 0 "[ . 1 . ]" 2
300 2 38 PHE HA 2 38 PHE QD 3.300 . 3.300 2.059 1.943 2.426 . 0 0 "[ . 1 . ]" 2
301 2 39 THR MG 2 40 ARG QD 5.000 . 5.500 5.137 4.328 5.474 . 0 0 "[ . 1 . ]" 2
302 2 36 GLU HA 2 39 THR MG 3.300 . 3.800 3.728 3.492 3.831 0.031 2 0 "[ . 1 . ]" 2
303 2 36 GLU HA 2 39 THR HB 3.300 . 3.300 2.749 2.465 2.895 . 0 0 "[ . 1 . ]" 2
304 2 39 THR HA 2 42 ARG QB 5.000 . 5.000 3.241 2.671 3.917 . 0 0 "[ . 1 . ]" 2
305 2 39 THR HA 2 39 THR MG 3.300 . 3.800 2.406 2.302 2.459 . 0 0 "[ . 1 . ]" 2
306 2 40 ARG H 2 40 ARG QD 5.000 . 5.200 4.167 3.339 4.470 . 0 0 "[ . 1 . ]" 2
307 2 40 ARG H 2 41 LEU H 5.000 . 5.200 2.558 2.428 2.690 . 0 0 "[ . 1 . ]" 2
308 2 39 THR H 2 40 ARG H 5.000 . 5.200 2.849 2.731 2.996 . 0 0 "[ . 1 . ]" 2
309 2 39 THR MG 2 40 ARG H 5.000 . 5.700 3.383 3.195 3.630 . 0 0 "[ . 1 . ]" 2
310 2 40 ARG H 2 40 ARG QB 2.700 . 2.900 2.111 1.989 2.200 . 0 0 "[ . 1 . ]" 2
311 2 40 ARG H 2 40 ARG HA 2.700 . 2.900 2.890 2.845 2.926 0.026 1 0 "[ . 1 . ]" 2
312 2 39 THR HB 2 40 ARG H 3.300 . 3.500 2.530 2.268 2.936 . 0 0 "[ . 1 . ]" 2
313 2 37 TYR HA 2 40 ARG H 5.000 . 5.200 3.854 3.601 4.016 . 0 0 "[ . 1 . ]" 2
314 2 39 THR HA 2 40 ARG H 5.000 . 5.200 3.566 3.507 3.593 . 0 0 "[ . 1 . ]" 2
315 2 40 ARG HA 2 43 GLU QB 3.300 . 3.300 3.103 2.873 3.339 0.039 14 0 "[ . 1 . ]" 2
316 2 41 LEU H 2 42 ARG H 3.300 . 3.500 2.669 2.482 2.879 . 0 0 "[ . 1 . ]" 2
317 2 38 PHE HA 2 41 LEU H 3.300 . 3.500 3.277 3.138 3.416 . 0 0 "[ . 1 . ]" 2
318 2 40 ARG QB 2 41 LEU H 2.700 . 2.900 2.763 2.439 2.905 0.005 4 0 "[ . 1 . ]" 2
319 2 41 LEU H 2 41 LEU QB 2.700 . 2.900 1.980 1.928 2.137 . 0 0 "[ . 1 . ]" 2
320 2 41 LEU H 2 41 LEU HG 5.000 . 5.200 3.892 2.502 4.435 . 0 0 "[ . 1 . ]" 2
321 2 41 LEU HA 2 44 ALA MB 3.300 . 3.300 2.330 1.940 2.915 . 0 0 "[ . 1 . ]" 2
322 2 41 LEU HA 2 41 LEU QB 2.700 . 2.700 2.528 2.470 2.551 . 0 0 "[ . 1 . ]" 2
323 2 38 PHE QD 2 41 LEU QB 3.300 . 3.300 3.273 3.076 3.350 0.050 13 0 "[ . 1 . ]" 2
324 2 38 PHE QD 2 41 LEU QD 3.300 . 3.800 2.561 2.150 2.945 . 0 0 "[ . 1 . ]" 2
325 2 38 PHE QE 2 41 LEU QD 5.000 . 5.500 3.339 3.100 3.579 . 0 0 "[ . 1 . ]" 2
326 2 38 PHE QB 2 41 LEU QD 5.000 . 5.500 4.077 3.808 4.469 . 0 0 "[ . 1 . ]" 2
327 2 37 TYR QE 2 41 LEU QD 3.300 . 3.800 2.792 2.224 3.354 . 0 0 "[ . 1 . ]" 2
328 2 41 LEU QD 2 42 ARG H 5.000 . 5.700 4.095 3.751 4.267 . 0 0 "[ . 1 . ]" 2
329 2 41 LEU QB 2 42 ARG H 3.300 . 3.500 2.753 2.553 2.976 . 0 0 "[ . 1 . ]" 2
330 2 42 ARG H 2 42 ARG QB 3.300 . 3.500 2.046 1.929 2.430 . 0 0 "[ . 1 . ]" 2
331 2 38 PHE HA 2 42 ARG H 5.000 . 5.200 4.675 4.392 4.837 . 0 0 "[ . 1 . ]" 2
332 2 42 ARG H 2 42 ARG QG 3.300 . 3.500 3.382 2.068 3.870 0.370 17 0 "[ . 1 . ]" 2
333 2 42 ARG H 2 42 ARG HA 2.700 . 2.900 2.851 2.790 2.915 0.015 4 0 "[ . 1 . ]" 2
334 2 42 ARG HA 2 42 ARG QD 3.300 . 3.300 3.152 1.947 3.386 0.086 12 0 "[ . 1 . ]" 2
335 2 42 ARG QB 2 42 ARG QD 3.300 . 3.300 2.154 1.905 2.689 . 0 0 "[ . 1 . ]" 2
336 2 43 GLU H 2 43 GLU QG 3.300 . 3.500 2.875 2.015 3.501 0.001 3 0 "[ . 1 . ]" 2
337 2 43 GLU H 2 43 GLU QB 2.700 . 2.900 2.090 1.929 2.389 . 0 0 "[ . 1 . ]" 2
338 2 42 ARG QB 2 43 GLU H 3.300 . 3.500 2.631 2.208 2.918 . 0 0 "[ . 1 . ]" 2
339 2 43 GLU H 2 44 ALA MB 5.000 . 5.700 3.950 3.602 4.266 . 0 0 "[ . 1 . ]" 2
340 2 43 GLU H 2 45 ARG H 6.000 . 6.200 4.897 4.536 5.228 . 0 0 "[ . 1 . ]" 2
341 2 40 ARG HA 2 43 GLU H 5.000 . 5.200 3.515 3.294 3.806 . 0 0 "[ . 1 . ]" 2
342 2 43 GLU H 2 44 ALA H 3.300 . 3.500 2.521 2.176 2.722 . 0 0 "[ . 1 . ]" 2
343 2 44 ALA H 2 44 ALA MB 2.700 . 3.400 1.961 1.916 2.080 . 0 0 "[ . 1 . ]" 2
344 2 41 LEU HA 2 44 ALA H 3.300 . 3.500 3.333 3.057 3.526 0.026 4 0 "[ . 1 . ]" 2
345 2 43 GLU HA 2 44 ALA H 3.300 . 3.500 3.467 3.200 3.544 0.044 9 0 "[ . 1 . ]" 2
346 2 44 ALA H 2 45 ARG H 3.300 . 3.500 2.884 2.555 3.184 . 0 0 "[ . 1 . ]" 2
347 2 43 GLU QB 2 44 ALA H 3.300 . 3.500 2.957 2.686 3.542 0.042 11 0 "[ . 1 . ]" 2
348 2 41 LEU QD 2 44 ALA MB 3.300 . 4.300 3.200 2.534 3.882 . 0 0 "[ . 1 . ]" 2
349 2 45 ARG H 2 45 ARG QB 2.700 . 2.900 2.187 1.951 2.954 0.054 10 0 "[ . 1 . ]" 2
350 2 44 ALA MB 2 45 ARG H 3.300 . 4.000 2.019 1.854 2.197 . 0 0 "[ . 1 . ]" 2
351 2 45 ARG H 2 45 ARG HA 2.700 . 2.900 2.724 2.335 2.791 . 0 0 "[ . 1 . ]" 2
352 2 44 ALA MB 2 45 ARG HA 3.300 . 3.300 3.574 3.559 3.650 0.350 14 0 "[ . 1 . ]" 2
353 2 45 ARG HA 2 45 ARG QD 3.300 . 3.300 2.508 2.063 3.253 . 0 0 "[ . 1 . ]" 2
354 2 45 ARG H 2 46 ARG H 5.000 . 5.200 3.654 2.862 4.704 . 0 0 "[ . 1 . ]" 2
355 2 45 ARG HA 2 46 ARG H 3.300 . 3.500 3.138 2.224 3.579 0.079 16 0 "[ . 1 . ]" 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 75
_Distance_constraint_stats_list.Viol_count 107
_Distance_constraint_stats_list.Viol_total 51.845
_Distance_constraint_stats_list.Viol_max 0.103
_Distance_constraint_stats_list.Viol_rms 0.0100
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0024
_Distance_constraint_stats_list.Viol_average_violations_only 0.0285
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 7 ILE 0.006 0.006 15 0 "[ . 1 . ]"
1 8 PRO 0.000 0.000 . 0 "[ . 1 . ]"
1 11 LEU 0.139 0.032 1 0 "[ . 1 . ]"
1 14 LEU 0.000 0.000 . 0 "[ . 1 . ]"
1 15 LEU 0.466 0.096 4 0 "[ . 1 . ]"
1 18 TYR 0.728 0.092 4 0 "[ . 1 . ]"
1 22 VAL 0.012 0.012 1 0 "[ . 1 . ]"
1 23 LEU 0.012 0.012 15 0 "[ . 1 . ]"
1 30 LEU 0.066 0.028 13 0 "[ . 1 . ]"
1 31 VAL 0.171 0.047 2 0 "[ . 1 . ]"
1 32 ASP 0.015 0.010 12 0 "[ . 1 . ]"
1 34 ALA 0.000 0.000 . 0 "[ . 1 . ]"
1 35 VAL 0.439 0.063 2 0 "[ . 1 . ]"
1 38 PHE 0.267 0.042 10 0 "[ . 1 . ]"
1 39 THR 0.538 0.103 2 0 "[ . 1 . ]"
1 41 LEU 0.062 0.035 13 0 "[ . 1 . ]"
1 42 ARG 0.129 0.055 2 0 "[ . 1 . ]"
2 7 ILE 0.012 0.012 15 0 "[ . 1 . ]"
2 8 PRO 0.000 0.000 . 0 "[ . 1 . ]"
2 11 LEU 0.101 0.028 13 0 "[ . 1 . ]"
2 14 LEU 0.000 0.000 . 0 "[ . 1 . ]"
2 15 LEU 0.704 0.092 4 0 "[ . 1 . ]"
2 18 TYR 0.466 0.096 4 0 "[ . 1 . ]"
2 22 VAL 0.032 0.032 1 0 "[ . 1 . ]"
2 23 LEU 0.006 0.006 15 0 "[ . 1 . ]"
2 30 LEU 0.107 0.032 3 0 "[ . 1 . ]"
2 31 VAL 0.144 0.055 2 0 "[ . 1 . ]"
2 32 ASP 0.047 0.029 11 0 "[ . 1 . ]"
2 34 ALA 0.000 0.000 . 0 "[ . 1 . ]"
2 35 VAL 0.806 0.103 2 0 "[ . 1 . ]"
2 38 PHE 0.170 0.057 10 0 "[ . 1 . ]"
2 39 THR 0.270 0.063 2 0 "[ . 1 . ]"
2 41 LEU 0.056 0.035 6 0 "[ . 1 . ]"
2 42 ARG 0.130 0.047 2 0 "[ . 1 . ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 23 LEU QD 2 7 ILE HA 3.300 . 3.800 3.413 2.746 3.812 0.012 15 0 "[ . 1 . ]" 3
2 1 7 ILE HA 2 23 LEU QD 3.300 . 3.800 3.437 2.872 3.806 0.006 15 0 "[ . 1 . ]" 3
3 1 8 PRO QD 2 23 LEU QD 3.300 . 3.800 3.156 2.418 3.713 . 0 0 "[ . 1 . ]" 3
4 1 23 LEU QD 2 8 PRO QD 3.300 . 3.800 3.114 2.282 3.581 . 0 0 "[ . 1 . ]" 3
5 1 34 ALA MB 2 38 PHE HA 5.000 . 5.500 4.263 3.927 4.667 . 0 0 "[ . 1 . ]" 3
6 1 38 PHE HA 2 34 ALA MB 5.000 . 5.500 4.287 3.922 4.686 . 0 0 "[ . 1 . ]" 3
7 1 34 ALA MB 2 38 PHE QB 5.000 . 5.500 2.383 2.123 2.726 . 0 0 "[ . 1 . ]" 3
8 1 38 PHE QB 2 34 ALA MB 5.000 . 5.500 2.413 2.130 2.735 . 0 0 "[ . 1 . ]" 3
9 1 34 ALA MB 2 38 PHE QD 3.300 . 3.800 2.572 2.324 2.819 . 0 0 "[ . 1 . ]" 3
10 1 38 PHE QD 2 34 ALA MB 3.300 . 3.800 2.582 2.318 2.846 . 0 0 "[ . 1 . ]" 3
11 1 34 ALA MB 2 41 LEU QD 5.000 . 6.000 4.742 4.245 5.482 . 0 0 "[ . 1 . ]" 3
12 1 41 LEU QD 2 34 ALA MB 5.000 . 6.000 4.755 4.308 5.501 . 0 0 "[ . 1 . ]" 3
13 1 38 PHE QB 2 35 VAL MG2 3.300 . 3.800 1.817 1.758 1.947 0.042 10 0 "[ . 1 . ]" 3
14 1 35 VAL MG2 2 38 PHE QB 3.300 . 3.800 1.831 1.743 1.934 0.057 10 0 "[ . 1 . ]" 3
15 1 38 PHE QD 2 35 VAL MG2 5.000 . 5.500 3.577 3.291 3.806 . 0 0 "[ . 1 . ]" 3
16 1 35 VAL MG2 2 38 PHE QD 5.000 . 5.500 3.595 3.353 3.779 . 0 0 "[ . 1 . ]" 3
17 1 31 VAL MG1 2 41 LEU QD 3.300 . 4.300 2.972 2.363 3.765 . 0 0 "[ . 1 . ]" 3
18 1 41 LEU QD 2 31 VAL MG1 3.300 . 4.300 2.978 2.388 3.846 . 0 0 "[ . 1 . ]" 3
19 1 31 VAL MG1 2 41 LEU QB 2.700 . 3.200 2.442 2.038 2.754 . 0 0 "[ . 1 . ]" 3
20 1 41 LEU QB 2 31 VAL MG1 2.700 . 3.200 2.473 2.163 2.858 . 0 0 "[ . 1 . ]" 3
21 1 31 VAL MG1 2 42 ARG QB 3.300 . 3.800 2.970 1.884 3.770 . 0 0 "[ . 1 . ]" 3
22 1 42 ARG QB 2 31 VAL MG1 3.300 . 3.800 3.006 1.890 3.767 . 0 0 "[ . 1 . ]" 3
23 1 31 VAL MG1 2 38 PHE QD 5.000 . 5.500 3.515 3.058 4.241 . 0 0 "[ . 1 . ]" 3
24 1 38 PHE QD 2 31 VAL MG1 5.000 . 5.500 3.506 3.027 4.296 . 0 0 "[ . 1 . ]" 3
25 1 31 VAL MG2 2 38 PHE QD 5.000 . 5.500 4.186 3.594 4.777 . 0 0 "[ . 1 . ]" 3
26 1 38 PHE QD 2 31 VAL MG2 5.000 . 5.500 4.200 3.640 4.854 . 0 0 "[ . 1 . ]" 3
27 1 31 VAL MG2 2 41 LEU QB 3.300 . 3.800 3.550 3.238 3.835 0.035 6 0 "[ . 1 . ]" 3
28 1 41 LEU QB 2 31 VAL MG2 3.300 . 3.800 3.591 3.112 3.835 0.035 13 0 "[ . 1 . ]" 3
29 1 31 VAL MG2 2 41 LEU QD 3.300 . 4.300 3.081 2.336 3.754 . 0 0 "[ . 1 . ]" 3
30 1 41 LEU QD 2 31 VAL MG2 3.300 . 4.300 3.109 2.487 3.889 . 0 0 "[ . 1 . ]" 3
31 1 11 LEU QD 2 22 VAL MG1 2.700 . 3.700 2.035 1.768 2.512 0.032 1 0 "[ . 1 . ]" 3
32 1 22 VAL MG1 2 11 LEU QD 2.700 . 3.700 2.035 1.788 2.474 0.012 1 0 "[ . 1 . ]" 3
33 1 11 LEU QD 2 22 VAL MG2 2.700 . 3.700 2.874 2.110 3.378 . 0 0 "[ . 1 . ]" 3
34 1 22 VAL MG2 2 11 LEU QD 2.700 . 3.700 2.872 2.071 3.394 . 0 0 "[ . 1 . ]" 3
35 1 11 LEU QD 2 18 TYR QD 3.300 . 3.800 3.268 2.676 3.748 . 0 0 "[ . 1 . ]" 3
36 1 18 TYR QD 2 11 LEU QD 3.300 . 3.800 3.273 2.673 3.717 . 0 0 "[ . 1 . ]" 3
37 1 11 LEU QD 2 18 TYR QE 3.300 . 3.800 3.371 2.815 3.797 . 0 0 "[ . 1 . ]" 3
38 1 18 TYR QE 2 11 LEU QD 3.300 . 3.800 3.394 2.760 3.823 0.023 8 0 "[ . 1 . ]" 3
39 1 8 PRO QG 2 22 VAL MG1 5.000 . 5.500 4.170 3.151 5.325 . 0 0 "[ . 1 . ]" 3
40 1 22 VAL MG1 2 8 PRO QG 5.000 . 5.500 4.173 3.216 5.379 . 0 0 "[ . 1 . ]" 3
41 1 23 LEU QD 2 8 PRO QG 5.000 . 5.500 4.034 2.751 4.588 . 0 0 "[ . 1 . ]" 3
42 1 39 THR HA 2 35 VAL MG2 2.700 . 3.200 2.051 1.914 2.261 . 0 0 "[ . 1 . ]" 3
43 1 35 VAL MG2 2 39 THR HA 2.700 . 3.200 2.020 1.859 2.250 . 0 0 "[ . 1 . ]" 3
44 1 39 THR HA 2 35 VAL MG1 3.300 . 3.800 2.811 2.239 3.255 . 0 0 "[ . 1 . ]" 3
45 1 35 VAL MG1 2 39 THR HA 3.300 . 3.800 2.808 2.262 3.274 . 0 0 "[ . 1 . ]" 3
46 1 42 ARG QD 2 32 ASP HA 3.300 . 3.300 3.074 2.554 3.329 0.029 11 0 "[ . 1 . ]" 3
47 1 32 ASP HA 2 42 ARG QD 3.300 . 3.300 3.037 2.435 3.310 0.010 12 0 "[ . 1 . ]" 3
48 1 42 ARG QD 2 31 VAL MG1 5.000 . 5.500 2.431 1.805 3.745 . 0 0 "[ . 1 . ]" 3
49 1 31 VAL MG1 2 42 ARG QD 5.000 . 5.500 2.416 1.753 3.724 0.047 2 0 "[ . 1 . ]" 3
50 1 42 ARG HA 2 31 VAL MG1 2.700 . 3.200 2.768 2.190 3.255 0.055 2 0 "[ . 1 . ]" 3
51 1 31 VAL MG1 2 42 ARG HA 2.700 . 3.200 2.725 2.006 3.219 0.019 2 0 "[ . 1 . ]" 3
52 1 39 THR HB 2 35 VAL MG2 3.300 . 3.800 3.659 3.383 3.865 0.065 3 0 "[ . 1 . ]" 3
53 1 35 VAL MG2 2 39 THR HB 3.300 . 3.800 3.637 3.340 3.827 0.027 9 0 "[ . 1 . ]" 3
54 1 39 THR MG 2 35 VAL MG2 3.300 . 4.300 3.455 3.172 3.626 . 0 0 "[ . 1 . ]" 3
55 1 35 VAL MG2 2 39 THR MG 3.300 . 4.300 3.429 3.170 3.581 . 0 0 "[ . 1 . ]" 3
56 1 39 THR HB 2 35 VAL MG1 3.300 . 3.800 3.793 3.709 3.861 0.061 13 0 "[ . 1 . ]" 3
57 1 35 VAL MG1 2 39 THR HB 3.300 . 3.800 3.789 3.692 3.838 0.038 13 0 "[ . 1 . ]" 3
58 1 39 THR MG 2 35 VAL MG1 3.300 . 4.300 2.791 2.678 2.875 . 0 0 "[ . 1 . ]" 3
59 1 35 VAL MG1 2 39 THR MG 3.300 . 4.300 2.770 2.656 2.881 . 0 0 "[ . 1 . ]" 3
60 1 39 THR MG 2 35 VAL HA 5.000 . 5.500 5.449 5.245 5.603 0.103 2 0 "[ . 1 . ]" 3
61 1 35 VAL HA 2 39 THR MG 5.000 . 5.500 5.425 5.212 5.563 0.063 2 0 "[ . 1 . ]" 3
62 1 30 LEU QD 2 11 LEU HA 3.300 . 3.800 3.301 2.918 3.675 . 0 0 "[ . 1 . ]" 3
63 1 11 LEU HA 2 30 LEU QD 3.300 . 3.800 3.290 2.896 3.680 . 0 0 "[ . 1 . ]" 3
64 1 30 LEU QD 2 11 LEU QB 3.300 . 3.800 3.568 3.102 3.828 0.028 13 0 "[ . 1 . ]" 3
65 1 11 LEU QB 2 30 LEU QD 3.300 . 3.800 3.545 3.097 3.826 0.026 10 0 "[ . 1 . ]" 3
66 1 30 LEU QD 2 11 LEU QD 2.700 . 3.700 1.932 1.807 2.285 . 0 0 "[ . 1 . ]" 3
67 1 11 LEU QD 2 30 LEU QD 2.700 . 3.700 1.909 1.768 2.183 0.032 3 0 "[ . 1 . ]" 3
68 1 30 LEU HA 2 11 LEU QD 5.000 . 5.500 5.177 4.466 5.474 . 0 0 "[ . 1 . ]" 3
69 1 11 LEU QD 2 30 LEU HA 5.000 . 5.500 5.153 4.535 5.412 . 0 0 "[ . 1 . ]" 3
70 1 15 LEU QD 2 18 TYR QD 2.700 . 3.200 2.310 1.861 2.935 . 0 0 "[ . 1 . ]" 3
71 1 18 TYR QD 2 15 LEU QD 2.700 . 3.200 2.315 1.894 2.960 . 0 0 "[ . 1 . ]" 3
72 1 15 LEU QD 2 18 TYR QE 2.700 . 3.200 3.222 3.157 3.296 0.096 4 0 "[ . 1 . ]" 3
73 1 18 TYR QE 2 15 LEU QD 2.700 . 3.200 3.236 3.103 3.292 0.092 4 0 "[ . 1 . ]" 3
74 1 34 ALA MB 2 14 LEU QD 3.300 . 4.300 3.962 3.541 4.229 . 0 0 "[ . 1 . ]" 3
75 1 14 LEU QD 2 34 ALA MB 3.300 . 4.300 3.956 3.504 4.216 . 0 0 "[ . 1 . ]" 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 38
_Distance_constraint_stats_list.Viol_count 63
_Distance_constraint_stats_list.Viol_total 31.428
_Distance_constraint_stats_list.Viol_max 0.065
_Distance_constraint_stats_list.Viol_rms 0.0101
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0029
_Distance_constraint_stats_list.Viol_average_violations_only 0.0293
_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 11 LEU 0.000 0.000 . 0 "[ . 1 . ]"
1 12 THR 0.000 0.000 . 0 "[ . 1 . ]"
1 13 GLU 0.000 0.000 . 0 "[ . 1 . ]"
1 14 LEU 0.368 0.065 7 0 "[ . 1 . ]"
1 15 LEU 0.034 0.034 4 0 "[ . 1 . ]"
1 16 GLN 0.000 0.000 . 0 "[ . 1 . ]"
1 17 GLY 0.000 0.000 . 0 "[ . 1 . ]"
1 18 TYR 0.368 0.065 7 0 "[ . 1 . ]"
1 19 THR 0.683 0.065 9 0 "[ . 1 . ]"
1 20 VAL 0.284 0.047 12 0 "[ . 1 . ]"
1 21 GLU 0.000 0.000 . 0 "[ . 1 . ]"
1 22 VAL 0.000 0.000 . 0 "[ . 1 . ]"
1 23 LEU 0.649 0.065 9 0 "[ . 1 . ]"
1 24 ARG 0.284 0.047 12 0 "[ . 1 . ]"
1 30 LEU 0.000 0.000 . 0 "[ . 1 . ]"
1 31 VAL 0.007 0.007 15 0 "[ . 1 . ]"
1 32 ASP 0.000 0.000 . 0 "[ . 1 . ]"
1 33 PHE 0.000 0.000 . 0 "[ . 1 . ]"
1 34 ALA 0.024 0.012 14 0 "[ . 1 . ]"
1 35 VAL 0.121 0.045 9 0 "[ . 1 . ]"
1 36 GLU 0.197 0.050 8 0 "[ . 1 . ]"
1 37 TYR 0.008 0.008 16 0 "[ . 1 . ]"
1 38 PHE 0.187 0.035 6 0 "[ . 1 . ]"
1 39 THR 0.114 0.045 9 0 "[ . 1 . ]"
1 40 ARG 0.197 0.050 8 0 "[ . 1 . ]"
1 41 LEU 0.008 0.008 16 0 "[ . 1 . ]"
1 42 ARG 0.163 0.035 6 0 "[ . 1 . ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 11 LEU O 1 15 LEU N 3.300 2.500 3.500 3.101 2.842 3.351 . 0 0 "[ . 1 . ]" 4
2 1 12 THR O 1 16 GLN N 3.300 2.500 3.500 2.850 2.660 3.170 . 0 0 "[ . 1 . ]" 4
3 1 13 GLU O 1 17 GLY N 3.300 2.500 3.500 3.139 2.780 3.351 . 0 0 "[ . 1 . ]" 4
4 1 14 LEU O 1 18 TYR N 3.300 2.500 3.500 3.433 3.233 3.492 . 0 0 "[ . 1 . ]" 4
5 1 15 LEU O 1 19 THR N 3.300 2.500 3.500 3.239 2.933 3.434 . 0 0 "[ . 1 . ]" 4
6 1 16 GLN O 1 20 VAL N 3.300 2.500 3.500 3.172 2.970 3.301 . 0 0 "[ . 1 . ]" 4
7 1 17 GLY O 1 21 GLU N 3.300 2.500 3.500 2.869 2.542 3.028 . 0 0 "[ . 1 . ]" 4
8 1 18 TYR O 1 22 VAL N 3.300 2.500 3.500 2.747 2.535 2.969 . 0 0 "[ . 1 . ]" 4
9 1 19 THR O 1 23 LEU N 3.300 2.500 3.500 3.315 3.025 3.428 . 0 0 "[ . 1 . ]" 4
10 1 20 VAL O 1 24 ARG N 3.300 2.500 3.500 3.218 2.833 3.380 . 0 0 "[ . 1 . ]" 4
11 1 30 LEU O 1 34 ALA N 3.300 2.500 3.500 2.602 2.519 2.758 . 0 0 "[ . 1 . ]" 4
12 1 31 VAL O 1 35 VAL N 3.300 2.500 3.500 3.177 2.974 3.400 . 0 0 "[ . 1 . ]" 4
13 1 32 ASP O 1 36 GLU N 3.300 2.500 3.500 2.861 2.565 3.094 . 0 0 "[ . 1 . ]" 4
14 1 33 PHE O 1 37 TYR N 3.300 2.500 3.500 2.797 2.539 3.125 . 0 0 "[ . 1 . ]" 4
15 1 34 ALA O 1 38 PHE N 3.300 2.500 3.500 3.254 3.032 3.431 . 0 0 "[ . 1 . ]" 4
16 1 35 VAL O 1 39 THR N 3.300 2.500 3.500 2.926 2.533 3.361 . 0 0 "[ . 1 . ]" 4
17 1 36 GLU O 1 40 ARG N 3.300 2.500 3.500 3.254 2.743 3.431 . 0 0 "[ . 1 . ]" 4
18 1 37 TYR O 1 41 LEU N 3.300 2.500 3.500 3.038 2.796 3.332 . 0 0 "[ . 1 . ]" 4
19 1 38 PHE O 1 42 ARG N 3.300 2.500 3.500 3.295 3.102 3.407 . 0 0 "[ . 1 . ]" 4
20 1 11 LEU O 1 15 LEU H 2.300 . 2.500 2.134 1.881 2.413 . 0 0 "[ . 1 . ]" 4
21 1 12 THR O 1 16 GLN H 2.300 . 2.500 1.909 1.708 2.304 . 0 0 "[ . 1 . ]" 4
22 1 13 GLU O 1 17 GLY H 2.300 . 2.500 2.284 1.911 2.495 . 0 0 "[ . 1 . ]" 4
23 1 14 LEU O 1 18 TYR H 2.300 . 2.500 2.486 2.268 2.565 0.065 7 0 "[ . 1 . ]" 4
24 1 15 LEU O 1 19 THR H 2.300 . 2.500 2.295 1.956 2.534 0.034 4 0 "[ . 1 . ]" 4
25 1 16 GLN O 1 20 VAL H 2.300 . 2.500 2.306 1.993 2.441 . 0 0 "[ . 1 . ]" 4
26 1 17 GLY O 1 21 GLU H 2.300 . 2.500 2.008 1.574 2.209 . 0 0 "[ . 1 . ]" 4
27 1 18 TYR O 1 22 VAL H 2.300 . 2.500 1.848 1.646 2.037 . 0 0 "[ . 1 . ]" 4
28 1 19 THR O 1 23 LEU H 2.300 . 2.500 2.511 2.180 2.565 0.065 9 0 "[ . 1 . ]" 4
29 1 20 VAL O 1 24 ARG H 2.300 . 2.500 2.451 2.162 2.547 0.047 12 0 "[ . 1 . ]" 4
30 1 30 LEU O 1 34 ALA H 2.300 . 2.500 1.641 1.549 1.793 . 0 0 "[ . 1 . ]" 4
31 1 31 VAL O 1 35 VAL H 2.300 . 2.500 2.276 2.037 2.507 0.007 15 0 "[ . 1 . ]" 4
32 1 32 ASP O 1 36 GLU H 2.300 . 2.500 1.918 1.603 2.120 . 0 0 "[ . 1 . ]" 4
33 1 33 PHE O 1 37 TYR H 2.300 . 2.500 1.913 1.644 2.287 . 0 0 "[ . 1 . ]" 4
34 1 34 ALA O 1 38 PHE H 2.300 . 2.500 2.343 2.146 2.512 0.012 14 0 "[ . 1 . ]" 4
35 1 35 VAL O 1 39 THR H 2.300 . 2.500 2.073 1.659 2.545 0.045 9 0 "[ . 1 . ]" 4
36 1 36 GLU O 1 40 ARG H 2.300 . 2.500 2.415 1.905 2.550 0.050 8 0 "[ . 1 . ]" 4
37 1 37 TYR O 1 41 LEU H 2.300 . 2.500 2.215 1.983 2.508 0.008 16 0 "[ . 1 . ]" 4
38 1 38 PHE O 1 42 ARG H 2.300 . 2.500 2.463 2.185 2.535 0.035 6 0 "[ . 1 . ]" 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 38
_Distance_constraint_stats_list.Viol_count 64
_Distance_constraint_stats_list.Viol_total 32.643
_Distance_constraint_stats_list.Viol_max 0.066
_Distance_constraint_stats_list.Viol_rms 0.0105
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0030
_Distance_constraint_stats_list.Viol_average_violations_only 0.0300
_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
2 11 LEU 0.000 0.000 . 0 "[ . 1 . ]"
2 12 THR 0.000 0.000 . 0 "[ . 1 . ]"
2 13 GLU 0.000 0.000 . 0 "[ . 1 . ]"
2 14 LEU 0.370 0.064 7 0 "[ . 1 . ]"
2 15 LEU 0.030 0.030 4 0 "[ . 1 . ]"
2 16 GLN 0.000 0.000 . 0 "[ . 1 . ]"
2 17 GLY 0.000 0.000 . 0 "[ . 1 . ]"
2 18 TYR 0.370 0.064 7 0 "[ . 1 . ]"
2 19 THR 0.724 0.066 9 0 "[ . 1 . ]"
2 20 VAL 0.282 0.049 12 0 "[ . 1 . ]"
2 21 GLU 0.000 0.000 . 0 "[ . 1 . ]"
2 22 VAL 0.000 0.000 . 0 "[ . 1 . ]"
2 23 LEU 0.694 0.066 9 0 "[ . 1 . ]"
2 24 ARG 0.282 0.049 12 0 "[ . 1 . ]"
2 30 LEU 0.000 0.000 . 0 "[ . 1 . ]"
2 31 VAL 0.005 0.005 15 0 "[ . 1 . ]"
2 32 ASP 0.000 0.000 . 0 "[ . 1 . ]"
2 33 PHE 0.000 0.000 . 0 "[ . 1 . ]"
2 34 ALA 0.026 0.016 14 0 "[ . 1 . ]"
2 35 VAL 0.127 0.053 9 0 "[ . 1 . ]"
2 36 GLU 0.210 0.051 8 0 "[ . 1 . ]"
2 37 TYR 0.009 0.009 16 0 "[ . 1 . ]"
2 38 PHE 0.199 0.037 6 0 "[ . 1 . ]"
2 39 THR 0.122 0.053 9 0 "[ . 1 . ]"
2 40 ARG 0.210 0.051 8 0 "[ . 1 . ]"
2 41 LEU 0.009 0.009 16 0 "[ . 1 . ]"
2 42 ARG 0.173 0.037 6 0 "[ . 1 . ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 2 11 LEU O 2 15 LEU N 3.300 2.500 3.500 3.101 2.842 3.351 . 0 0 "[ . 1 . ]" 5
2 2 12 THR O 2 16 GLN N 3.300 2.500 3.500 2.849 2.659 3.169 . 0 0 "[ . 1 . ]" 5
3 2 13 GLU O 2 17 GLY N 3.300 2.500 3.500 3.140 2.781 3.349 . 0 0 "[ . 1 . ]" 5
4 2 14 LEU O 2 18 TYR N 3.300 2.500 3.500 3.432 3.234 3.489 . 0 0 "[ . 1 . ]" 5
5 2 15 LEU O 2 19 THR N 3.300 2.500 3.500 3.240 2.933 3.429 . 0 0 "[ . 1 . ]" 5
6 2 16 GLN O 2 20 VAL N 3.300 2.500 3.500 3.172 2.965 3.303 . 0 0 "[ . 1 . ]" 5
7 2 17 GLY O 2 21 GLU N 3.300 2.500 3.500 2.869 2.540 3.030 . 0 0 "[ . 1 . ]" 5
8 2 18 TYR O 2 22 VAL N 3.300 2.500 3.500 2.747 2.533 2.968 . 0 0 "[ . 1 . ]" 5
9 2 19 THR O 2 23 LEU N 3.300 2.500 3.500 3.317 3.026 3.425 . 0 0 "[ . 1 . ]" 5
10 2 20 VAL O 2 24 ARG N 3.300 2.500 3.500 3.217 2.825 3.382 . 0 0 "[ . 1 . ]" 5
11 2 30 LEU O 2 34 ALA N 3.300 2.500 3.500 2.602 2.517 2.758 . 0 0 "[ . 1 . ]" 5
12 2 31 VAL O 2 35 VAL N 3.300 2.500 3.500 3.177 2.980 3.398 . 0 0 "[ . 1 . ]" 5
13 2 32 ASP O 2 36 GLU N 3.300 2.500 3.500 2.862 2.567 3.096 . 0 0 "[ . 1 . ]" 5
14 2 33 PHE O 2 37 TYR N 3.300 2.500 3.500 2.797 2.537 3.130 . 0 0 "[ . 1 . ]" 5
15 2 34 ALA O 2 38 PHE N 3.300 2.500 3.500 3.255 3.045 3.431 . 0 0 "[ . 1 . ]" 5
16 2 35 VAL O 2 39 THR N 3.300 2.500 3.500 2.926 2.531 3.368 . 0 0 "[ . 1 . ]" 5
17 2 36 GLU O 2 40 ARG N 3.300 2.500 3.500 3.254 2.743 3.431 . 0 0 "[ . 1 . ]" 5
18 2 37 TYR O 2 41 LEU N 3.300 2.500 3.500 3.038 2.795 3.329 . 0 0 "[ . 1 . ]" 5
19 2 38 PHE O 2 42 ARG N 3.300 2.500 3.500 3.295 3.108 3.410 . 0 0 "[ . 1 . ]" 5
20 2 11 LEU O 2 15 LEU H 2.300 . 2.500 2.134 1.881 2.416 . 0 0 "[ . 1 . ]" 5
21 2 12 THR O 2 16 GLN H 2.300 . 2.500 1.908 1.707 2.305 . 0 0 "[ . 1 . ]" 5
22 2 13 GLU O 2 17 GLY H 2.300 . 2.500 2.284 1.911 2.497 . 0 0 "[ . 1 . ]" 5
23 2 14 LEU O 2 18 TYR H 2.300 . 2.500 2.486 2.270 2.564 0.064 7 0 "[ . 1 . ]" 5
24 2 15 LEU O 2 19 THR H 2.300 . 2.500 2.296 1.956 2.530 0.030 4 0 "[ . 1 . ]" 5
25 2 16 GLN O 2 20 VAL H 2.300 . 2.500 2.306 1.987 2.437 . 0 0 "[ . 1 . ]" 5
26 2 17 GLY O 2 21 GLU H 2.300 . 2.500 2.008 1.572 2.209 . 0 0 "[ . 1 . ]" 5
27 2 18 TYR O 2 22 VAL H 2.300 . 2.500 1.848 1.643 2.036 . 0 0 "[ . 1 . ]" 5
28 2 19 THR O 2 23 LEU H 2.300 . 2.500 2.513 2.178 2.566 0.066 9 0 "[ . 1 . ]" 5
29 2 20 VAL O 2 24 ARG H 2.300 . 2.500 2.450 2.159 2.549 0.049 12 0 "[ . 1 . ]" 5
30 2 30 LEU O 2 34 ALA H 2.300 . 2.500 1.641 1.548 1.793 . 0 0 "[ . 1 . ]" 5
31 2 31 VAL O 2 35 VAL H 2.300 . 2.500 2.276 2.043 2.505 0.005 15 0 "[ . 1 . ]" 5
32 2 32 ASP O 2 36 GLU H 2.300 . 2.500 1.919 1.605 2.122 . 0 0 "[ . 1 . ]" 5
33 2 33 PHE O 2 37 TYR H 2.300 . 2.500 1.913 1.646 2.290 . 0 0 "[ . 1 . ]" 5
34 2 34 ALA O 2 38 PHE H 2.300 . 2.500 2.343 2.160 2.516 0.016 14 0 "[ . 1 . ]" 5
35 2 35 VAL O 2 39 THR H 2.300 . 2.500 2.072 1.656 2.553 0.053 9 0 "[ . 1 . ]" 5
36 2 36 GLU O 2 40 ARG H 2.300 . 2.500 2.414 1.905 2.551 0.051 8 0 "[ . 1 . ]" 5
37 2 37 TYR O 2 41 LEU H 2.300 . 2.500 2.215 1.980 2.509 0.009 16 0 "[ . 1 . ]" 5
38 2 38 PHE O 2 42 ARG H 2.300 . 2.500 2.464 2.190 2.537 0.037 6 0 "[ . 1 . ]" 5
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