NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
561772 |
2m02   |
17937 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2m02
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 2
_Distance_constraint_stats_list.Viol_count 0
_Distance_constraint_stats_list.Viol_total 0.000
_Distance_constraint_stats_list.Viol_max 0.000
_Distance_constraint_stats_list.Viol_rms 0.0000
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0000
_Distance_constraint_stats_list.Viol_average_violations_only 0.0000
_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 25 THR 0.000 0.000 . 0 "[ . 1]"
1 26 VAL 0.000 0.000 . 0 "[ . 1]"
1 33 LEU 0.000 0.000 . 0 "[ . 1]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 25 THR C 1 26 VAL CA 3.300 . 5.600 2.427 2.425 2.429 . 0 0 "[ . 1]" 1
2 1 33 LEU C 1 33 LEU CG 2.750 . 4.500 3.757 3.000 3.852 . 0 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 442
_Distance_constraint_stats_list.Viol_count 431
_Distance_constraint_stats_list.Viol_total 2639.109
_Distance_constraint_stats_list.Viol_max 3.076
_Distance_constraint_stats_list.Viol_rms 0.2997
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0597
_Distance_constraint_stats_list.Viol_average_violations_only 0.6123
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 9 LEU 15.834 1.355 2 10 [*+-*******]
1 10 ARG 0.000 0.000 . 0 "[ . 1]"
1 11 VAL 23.426 1.640 5 10 [*-**+*****]
1 12 GLY 0.000 0.000 . 0 "[ . 1]"
1 13 SER 0.000 0.000 . 0 "[ . 1]"
1 14 ARG 0.000 0.000 . 0 "[ . 1]"
1 15 VAL 29.251 2.289 2 10 [*+-*******]
1 16 GLU 1.963 0.232 8 0 "[ . 1]"
1 17 VAL 0.430 0.150 5 0 "[ . 1]"
1 18 ILE 25.041 2.289 2 10 [*+****-***]
1 19 GLY 0.000 0.000 . 0 "[ . 1]"
1 20 LYS 0.000 0.000 . 0 "[ . 1]"
1 21 GLY 2.336 0.306 7 0 "[ . 1]"
1 22 HIS 0.135 0.041 9 0 "[ . 1]"
1 23 ARG 22.494 2.182 1 10 [+-********]
1 24 GLY 7.820 1.199 3 7 "[*-+*. ***]"
1 25 THR 9.029 0.759 2 10 [*+*****-**]
1 26 VAL 33.036 2.361 10 10 [*******-*+]
1 27 ALA 0.410 0.098 5 0 "[ . 1]"
1 28 TYR 0.545 0.125 6 0 "[ . 1]"
1 29 VAL 16.633 1.640 5 10 [****+****-]
1 30 GLY 0.000 0.000 . 0 "[ . 1]"
1 31 ALA 1.394 0.138 4 0 "[ . 1]"
1 32 THR 1.784 0.491 6 0 "[ . 1]"
1 33 LEU 1.746 0.231 3 0 "[ . 1]"
1 34 PHE 0.008 0.008 10 0 "[ . 1]"
1 35 ALA 20.811 2.182 1 10 [+-********]
1 36 THR 2.048 0.491 6 0 "[ . 1]"
1 37 GLY 2.336 0.306 7 0 "[ . 1]"
1 38 LYS 17.903 2.327 5 10 [****+-****]
1 39 TRP 15.459 1.640 5 10 [****+****-]
1 40 VAL 47.576 2.327 5 10 [**-*+*****]
1 41 GLY 2.336 0.306 7 0 "[ . 1]"
1 42 VAL 64.759 2.722 9 10 [-*******+*]
1 43 ILE 34.163 1.846 6 10 [**-**+****]
1 44 LEU 13.806 1.217 8 9 "[* *****+*-]"
1 45 ASP 27.281 2.722 9 10 [*-******+*]
1 46 GLU 0.097 0.082 4 0 "[ . 1]"
1 47 ALA 1.529 0.339 4 0 "[ . 1]"
1 48 LYS 2.372 0.339 4 0 "[ . 1]"
1 49 GLY 7.668 0.367 1 0 "[ . 1]"
1 50 LYS 0.373 0.113 5 0 "[ . 1]"
1 51 ASN 7.622 1.035 2 6 "[*+- . ***1]"
1 52 ASP 0.769 0.110 10 0 "[ . 1]"
1 53 GLY 1.356 0.491 6 0 "[ . 1]"
1 54 THR 0.371 0.110 10 0 "[ . 1]"
1 55 VAL 15.494 2.054 5 9 "[**-*+ ****]"
1 56 GLN 0.008 0.008 10 0 "[ . 1]"
1 57 GLY 0.000 0.000 . 0 "[ . 1]"
1 58 ARG 0.065 0.038 2 0 "[ . 1]"
1 59 LYS 0.135 0.041 9 0 "[ . 1]"
1 60 TYR 0.000 0.000 . 0 "[ . 1]"
1 61 PHE 8.725 2.054 5 7 "[ ***+ *- *]"
1 62 THR 26.130 3.076 4 10 [***+****-*]
1 63 CYS 1.022 0.168 5 0 "[ . 1]"
1 64 ASP 16.910 1.640 5 10 [****+****-]
1 65 GLU 26.495 3.076 4 10 [***+****-*]
1 66 GLY 2.336 0.306 7 0 "[ . 1]"
1 67 HIS 0.000 0.000 . 0 "[ . 1]"
1 68 GLY 2.336 0.306 7 0 "[ . 1]"
1 69 ILE 26.788 1.846 6 10 [**-**+****]
1 70 PHE 12.579 1.499 4 10 [***+-*****]
1 71 VAL 5.924 1.019 5 6 "[ *- +* **1]"
1 72 ARG 0.065 0.038 2 0 "[ . 1]"
1 73 GLN 0.000 0.000 . 0 "[ . 1]"
1 74 SER 0.000 0.000 . 0 "[ . 1]"
1 75 GLN 0.000 0.000 . 0 "[ . 1]"
1 76 ILE 17.523 2.361 10 10 [*******-*+]
1 77 GLN 0.090 0.036 10 0 "[ . 1]"
1 78 VAL 1.601 0.491 6 0 "[ . 1]"
1 79 PHE 0.150 0.062 1 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 37 GLY CA 1 38 LYS CA 3.300 . 5.600 3.801 3.795 3.808 . 0 0 "[ . 1]" 2
2 1 40 VAL CA 1 41 GLY CA 3.300 . 5.600 3.801 3.798 3.804 . 0 0 "[ . 1]" 2
3 1 43 ILE CA 1 43 ILE CD1 3.300 . 5.600 2.917 2.843 2.957 . 0 0 "[ . 1]" 2
4 1 61 PHE CA 1 61 PHE CD1 3.300 . 5.600 2.936 2.900 2.947 . 0 0 "[ . 1]" 2
5 1 61 PHE CA 1 62 THR C 3.300 . 5.600 4.779 4.734 4.825 . 0 0 "[ . 1]" 2
6 1 62 THR CB 1 63 CYS CA 3.300 . 5.600 4.662 4.611 4.747 . 0 0 "[ . 1]" 2
7 1 62 THR CG2 1 63 CYS CB 3.300 . 5.600 5.679 5.617 5.768 0.168 5 0 "[ . 1]" 2
8 1 11 VAL CA 1 12 GLY CA 4.000 . 6.650 3.805 3.801 3.810 . 0 0 "[ . 1]" 2
9 1 17 VAL CA 1 34 PHE CA 4.000 . 7.000 5.846 5.537 6.263 . 0 0 "[ . 1]" 2
10 1 24 GLY CA 1 33 LEU C 4.000 . 7.000 3.564 3.475 3.602 . 0 0 "[ . 1]" 2
11 1 25 THR CA 1 26 VAL CA 4.000 . 6.650 3.797 3.793 3.802 . 0 0 "[ . 1]" 2
12 1 26 VAL CA 1 27 ALA CA 4.000 . 5.700 3.805 3.797 3.813 . 0 0 "[ . 1]" 2
13 1 26 VAL CB 1 27 ALA CA 3.350 . 5.700 4.684 4.637 4.781 . 0 0 "[ . 1]" 2
14 1 26 VAL CG2 1 27 ALA CB 4.000 . 7.000 6.967 6.792 7.056 0.056 1 0 "[ . 1]" 2
15 1 25 THR CA 1 26 VAL CG1 3.350 . 5.700 5.914 5.228 6.210 0.510 9 7 "[****. -+*]" 2
16 1 28 TYR CA 1 29 VAL CA 4.000 . 6.650 3.804 3.799 3.810 . 0 0 "[ . 1]" 2
17 1 29 VAL CA 1 30 GLY CA 3.350 . 5.700 3.795 3.791 3.802 . 0 0 "[ . 1]" 2
18 1 30 GLY CA 1 31 ALA CA 3.350 . 5.700 3.801 3.794 3.806 . 0 0 "[ . 1]" 2
19 1 31 ALA CA 1 32 THR CA 3.350 . 5.700 3.806 3.801 3.818 . 0 0 "[ . 1]" 2
20 1 32 THR CG2 1 35 ALA CA 4.000 . 7.000 5.102 4.604 5.757 . 0 0 "[ . 1]" 2
21 1 36 THR CG2 1 37 GLY CA 4.000 . 7.000 5.182 3.923 5.901 . 0 0 "[ . 1]" 2
22 1 38 LYS CA 1 40 VAL CA 4.000 . 7.000 3.711 3.700 3.719 . 0 0 "[ . 1]" 2
23 1 39 TRP CA 1 40 VAL CB 4.000 . 7.000 4.666 4.641 4.703 . 0 0 "[ . 1]" 2
24 1 40 VAL CB 1 41 GLY CA 4.000 . 7.000 4.675 4.649 4.701 . 0 0 "[ . 1]" 2
25 1 41 GLY CA 1 42 VAL CA 2.900 . 4.800 3.804 3.795 3.811 . 0 0 "[ . 1]" 2
26 1 41 GLY CA 1 42 VAL CB 3.350 . 5.700 4.723 4.699 4.748 . 0 0 "[ . 1]" 2
27 1 26 VAL CA 1 42 VAL CG2 4.000 . 7.000 4.406 4.223 4.752 . 0 0 "[ . 1]" 2
28 1 44 LEU CB 1 50 LYS CA 3.350 . 5.700 4.994 4.362 5.558 . 0 0 "[ . 1]" 2
29 1 44 LEU CG 1 50 LYS CA 3.350 . 5.700 5.113 4.537 5.432 . 0 0 "[ . 1]" 2
30 1 46 GLU CA 1 47 ALA CA 4.000 . 7.000 3.798 3.794 3.801 . 0 0 "[ . 1]" 2
31 1 46 GLU CB 1 47 ALA CA 4.000 . 7.000 4.431 4.308 4.560 . 0 0 "[ . 1]" 2
32 1 47 ALA CB 1 49 GLY CA 4.000 . 6.650 6.653 6.462 6.752 0.102 8 0 "[ . 1]" 2
33 1 47 ALA CA 1 49 GLY CA 4.000 . 7.000 6.354 6.200 6.595 . 0 0 "[ . 1]" 2
34 1 50 LYS CE 1 51 ASN CA 4.000 . 6.650 5.406 5.077 5.993 . 0 0 "[ . 1]" 2
35 1 49 GLY CA 1 51 ASN CA 4.000 . 7.000 7.037 7.004 7.059 0.059 8 0 "[ . 1]" 2
36 1 44 LEU CA 1 53 GLY CA 4.000 . 7.000 6.454 5.689 6.833 . 0 0 "[ . 1]" 2
37 1 61 PHE CA 1 61 PHE CD1 3.350 . 5.700 3.221 3.076 3.307 . 0 0 "[ . 1]" 2
38 1 49 GLY CA 1 65 GLU CA 4.000 . 7.000 7.255 7.151 7.367 0.367 1 0 "[ . 1]" 2
39 1 66 GLY CA 1 67 HIS CA 3.350 . 5.700 3.392 3.386 3.397 . 0 0 "[ . 1]" 2
40 1 50 LYS CA 1 69 ILE CB 4.000 . 7.000 6.265 5.852 6.727 . 0 0 "[ . 1]" 2
41 1 9 LEU CB 1 17 VAL CB 4.600 . 8.200 6.900 6.171 7.610 . 0 0 "[ . 1]" 2
42 1 9 LEU CB 1 78 VAL CA 4.600 . 8.200 6.335 4.589 7.448 . 0 0 "[ . 1]" 2
43 1 9 LEU CD1 1 11 VAL CB 4.600 . 8.200 7.495 6.147 8.328 0.128 8 0 "[ . 1]" 2
44 1 12 GLY CA 1 26 VAL CA 4.600 . 8.200 5.367 4.912 5.962 . 0 0 "[ . 1]" 2
45 1 12 GLY CA 1 17 VAL CB 3.825 . 6.650 5.443 5.042 5.934 . 0 0 "[ . 1]" 2
46 1 15 VAL CA 1 26 VAL CA 4.600 . 8.200 7.634 7.310 7.874 . 0 0 "[ . 1]" 2
47 1 15 VAL CB 1 24 GLY CA 4.600 . 8.200 6.756 6.496 6.924 . 0 0 "[ . 1]" 2
48 1 15 VAL CB 1 16 GLU CA 4.600 . 8.200 4.326 4.214 4.380 . 0 0 "[ . 1]" 2
49 1 16 GLU CB 1 18 ILE CB 4.600 . 8.200 7.104 6.942 7.307 . 0 0 "[ . 1]" 2
50 1 17 VAL CA 1 34 PHE CA 3.825 . 6.650 5.850 5.529 6.276 . 0 0 "[ . 1]" 2
51 1 17 VAL CA 1 18 ILE CB 4.600 . 8.200 4.825 4.811 4.840 . 0 0 "[ . 1]" 2
52 1 18 ILE CB 1 21 GLY CA 4.600 . 8.200 8.434 8.316 8.506 0.306 7 0 "[ . 1]" 2
53 1 22 HIS CA 1 24 GLY CA 4.600 . 8.200 6.308 6.231 6.389 . 0 0 "[ . 1]" 2
54 1 16 GLU CA 1 22 HIS CB 4.600 . 8.200 6.863 6.762 7.010 . 0 0 "[ . 1]" 2
55 1 22 HIS CB 1 44 LEU CA 3.825 . 6.650 6.070 5.892 6.400 . 0 0 "[ . 1]" 2
56 1 22 HIS CB 1 24 GLY CA 4.600 . 8.200 6.780 6.733 6.833 . 0 0 "[ . 1]" 2
57 1 22 HIS CB 1 23 ARG CA 3.825 . 6.650 4.325 4.315 4.336 . 0 0 "[ . 1]" 2
58 1 61 PHE CA 1 62 THR CB 4.600 . 8.200 4.122 4.074 4.169 . 0 0 "[ . 1]" 2
59 1 16 GLU CB 1 44 LEU CG 4.600 . 8.200 5.966 5.738 6.162 . 0 0 "[ . 1]" 2
60 1 22 HIS CA 1 24 GLY CA 4.600 . 8.200 3.776 3.693 3.892 . 0 0 "[ . 1]" 2
61 1 24 GLY CA 1 43 ILE CB 4.600 . 8.200 5.645 5.557 5.690 . 0 0 "[ . 1]" 2
62 1 24 GLY CA 1 44 LEU CB 4.600 . 8.200 4.848 4.694 5.017 . 0 0 "[ . 1]" 2
63 1 24 GLY CA 1 44 LEU CG 4.600 . 8.200 4.995 4.821 5.253 . 0 0 "[ . 1]" 2
64 1 23 ARG CA 1 25 THR CA 4.600 . 8.200 7.248 7.192 7.284 . 0 0 "[ . 1]" 2
65 1 24 GLY CA 1 25 THR CA 3.825 . 6.650 3.809 3.799 3.816 . 0 0 "[ . 1]" 2
66 1 11 VAL CG2 1 25 THR CA 3.825 . 6.650 4.366 4.255 4.442 . 0 0 "[ . 1]" 2
67 1 25 THR CA 1 27 ALA CA 4.600 . 8.200 5.234 5.090 5.397 . 0 0 "[ . 1]" 2
68 1 25 THR CB 1 26 VAL CA 4.600 . 8.200 4.619 4.574 4.643 . 0 0 "[ . 1]" 2
69 1 25 THR CB 1 26 VAL CB 4.600 . 8.200 5.485 5.435 5.581 . 0 0 "[ . 1]" 2
70 1 15 VAL CA 1 26 VAL CA 4.600 . 8.200 7.971 7.573 8.219 0.019 4 0 "[ . 1]" 2
71 1 25 THR CA 1 26 VAL CA 3.825 . 6.650 3.572 3.542 3.592 . 0 0 "[ . 1]" 2
72 1 26 VAL CA 1 41 GLY CA 4.600 . 8.200 6.042 5.946 6.206 . 0 0 "[ . 1]" 2
73 1 26 VAL CA 1 42 VAL CB 4.600 . 8.200 4.682 4.511 4.816 . 0 0 "[ . 1]" 2
74 1 25 THR CA 1 26 VAL CA 3.825 . 6.650 3.561 3.532 3.581 . 0 0 "[ . 1]" 2
75 1 11 VAL CG2 1 26 VAL CB 4.600 . 8.200 4.411 4.057 4.859 . 0 0 "[ . 1]" 2
76 1 26 VAL CG1 1 42 VAL CB 4.600 . 8.200 5.648 4.824 6.130 . 0 0 "[ . 1]" 2
77 1 11 VAL CA 1 27 ALA CA 4.600 . 8.200 5.731 5.409 6.034 . 0 0 "[ . 1]" 2
78 1 27 ALA CA 1 28 TYR CA 3.825 . 6.650 3.807 3.799 3.814 . 0 0 "[ . 1]" 2
79 1 27 ALA CA 1 29 VAL CA 4.600 . 8.200 6.730 6.576 6.934 . 0 0 "[ . 1]" 2
80 1 27 ALA CA 1 29 VAL CB 4.600 . 8.200 6.850 6.611 7.255 . 0 0 "[ . 1]" 2
81 1 25 THR CA 1 27 ALA CA 3.825 . 6.650 5.130 5.001 5.300 . 0 0 "[ . 1]" 2
82 1 26 VAL CA 1 28 TYR CA 4.600 . 8.200 5.970 5.775 6.157 . 0 0 "[ . 1]" 2
83 1 15 VAL CA 1 26 VAL CB 4.600 . 8.200 5.903 5.687 6.108 . 0 0 "[ . 1]" 2
84 1 15 VAL CA 1 29 VAL CB 4.600 . 8.200 4.638 4.617 4.663 . 0 0 "[ . 1]" 2
85 1 29 VAL CB 1 31 ALA CA 4.600 . 8.200 8.302 8.285 8.338 0.138 4 0 "[ . 1]" 2
86 1 27 ALA CB 1 29 VAL CB 4.600 . 8.200 8.090 7.906 8.298 0.098 5 0 "[ . 1]" 2
87 1 11 VAL CG1 1 28 TYR CA 4.600 . 8.200 5.514 5.273 5.804 . 0 0 "[ . 1]" 2
88 1 31 ALA CA 1 32 THR CG2 3.825 . 6.650 4.696 4.407 4.976 . 0 0 "[ . 1]" 2
89 1 25 THR CB 1 35 ALA CA 4.600 . 8.200 5.538 5.340 5.714 . 0 0 "[ . 1]" 2
90 1 31 ALA CA 1 32 THR CG2 3.825 . 6.650 4.289 4.003 4.639 . 0 0 "[ . 1]" 2
91 1 35 ALA CA 1 36 THR CA 3.825 . 6.650 3.800 3.797 3.802 . 0 0 "[ . 1]" 2
92 1 37 GLY CA 1 38 LYS CB 3.825 . 6.650 4.710 4.605 4.811 . 0 0 "[ . 1]" 2
93 1 31 ALA CA 1 38 LYS CA 4.600 . 8.200 4.627 4.248 5.194 . 0 0 "[ . 1]" 2
94 1 39 TRP CA 1 40 VAL CA 3.825 . 6.650 3.806 3.799 3.814 . 0 0 "[ . 1]" 2
95 1 26 VAL CB 1 40 VAL CA 3.825 . 6.650 6.746 6.682 6.858 0.208 4 0 "[ . 1]" 2
96 1 38 LYS CA 1 40 VAL CA 3.825 . 6.650 3.788 3.779 3.797 . 0 0 "[ . 1]" 2
97 1 26 VAL CA 1 42 VAL CA 3.825 . 6.650 4.349 4.241 4.430 . 0 0 "[ . 1]" 2
98 1 25 THR CA 1 44 LEU CG 3.825 . 6.650 4.424 4.182 4.695 . 0 0 "[ . 1]" 2
99 1 34 PHE CA 1 42 VAL CA 3.825 . 6.650 3.782 3.777 3.790 . 0 0 "[ . 1]" 2
100 1 42 VAL CB 1 43 ILE CB 4.600 . 6.650 5.778 5.740 5.798 . 0 0 "[ . 1]" 2
101 1 42 VAL CB 1 69 ILE CG1 4.600 . 8.200 6.712 6.213 6.965 . 0 0 "[ . 1]" 2
102 1 11 VAL CG2 1 38 LYS CA 4.600 . 8.200 7.273 7.191 7.428 . 0 0 "[ . 1]" 2
103 1 42 VAL CG2 1 68 GLY CA 4.600 . 8.200 6.933 6.693 7.192 . 0 0 "[ . 1]" 2
104 1 33 LEU CB 1 42 VAL CA 3.825 . 6.650 4.618 4.565 4.652 . 0 0 "[ . 1]" 2
105 1 41 GLY CA 1 43 ILE CB 4.600 . 8.200 7.411 7.347 7.491 . 0 0 "[ . 1]" 2
106 1 43 ILE CB 1 44 LEU CG 3.825 . 6.650 6.248 6.079 6.558 . 0 0 "[ . 1]" 2
107 1 43 ILE CB 1 50 LYS CA 3.825 . 6.650 6.630 6.517 6.735 0.085 6 0 "[ . 1]" 2
108 1 43 ILE CB 1 67 HIS CB 4.600 . 8.200 4.374 4.277 4.492 . 0 0 "[ . 1]" 2
109 1 26 VAL CA 1 43 ILE CD1 4.600 . 8.200 5.766 5.523 6.138 . 0 0 "[ . 1]" 2
110 1 21 GLY CA 1 43 ILE CD1 4.600 . 8.200 5.034 4.735 5.227 . 0 0 "[ . 1]" 2
111 1 42 VAL CB 1 43 ILE CD1 3.825 . 6.650 5.480 5.396 5.782 . 0 0 "[ . 1]" 2
112 1 43 ILE CD1 1 44 LEU CG 3.825 . 6.650 5.530 4.068 6.024 . 0 0 "[ . 1]" 2
113 1 23 ARG CB 1 43 ILE CD1 3.400 . 5.800 4.267 3.709 4.612 . 0 0 "[ . 1]" 2
114 1 27 ALA CA 1 43 ILE CG1 4.600 . 8.200 5.759 4.754 6.035 . 0 0 "[ . 1]" 2
115 1 25 THR CA 1 44 LEU CB 4.600 . 8.200 4.615 4.566 4.646 . 0 0 "[ . 1]" 2
116 1 15 VAL CA 1 25 THR CG2 4.600 . 8.200 6.388 6.186 6.563 . 0 0 "[ . 1]" 2
117 1 22 HIS CA 1 44 LEU CG 3.825 . 6.650 5.110 4.745 5.354 . 0 0 "[ . 1]" 2
118 1 42 VAL CB 1 44 LEU CG 3.825 . 6.650 5.501 5.100 5.739 . 0 0 "[ . 1]" 2
119 1 33 LEU CG 1 47 ALA CA 4.600 . 8.200 7.183 6.917 7.429 . 0 0 "[ . 1]" 2
120 1 33 LEU CG 1 49 GLY CA 4.600 . 8.200 8.375 8.333 8.431 0.231 3 0 "[ . 1]" 2
121 1 30 GLY CA 1 44 LEU CG 4.600 . 8.200 5.912 5.275 6.193 . 0 0 "[ . 1]" 2
122 1 24 GLY CA 1 45 ASP CA 4.600 . 8.200 5.452 5.214 5.630 . 0 0 "[ . 1]" 2
123 1 46 GLU CA 1 47 ALA CA 4.600 . 8.200 3.795 3.791 3.799 . 0 0 "[ . 1]" 2
124 1 20 LYS CB 1 47 ALA CA 3.825 . 6.650 4.426 4.305 4.554 . 0 0 "[ . 1]" 2
125 1 44 LEU CA 1 47 ALA CA 4.600 . 8.200 7.008 6.840 7.201 . 0 0 "[ . 1]" 2
126 1 33 LEU CB 1 47 ALA CA 4.600 . 8.200 6.208 5.998 6.450 . 0 0 "[ . 1]" 2
127 1 45 ASP CA 1 47 ALA CA 4.600 . 8.200 6.752 6.549 6.993 . 0 0 "[ . 1]" 2
128 1 47 ALA CA 1 48 LYS CD 4.600 . 8.200 5.599 5.132 5.867 . 0 0 "[ . 1]" 2
129 1 47 ALA CA 1 67 HIS CB 4.600 . 8.200 6.751 6.430 7.138 . 0 0 "[ . 1]" 2
130 1 38 LYS CA 1 47 ALA CB 4.600 . 8.200 4.735 4.711 4.755 . 0 0 "[ . 1]" 2
131 1 47 ALA CA 1 48 LYS CD 4.600 . 8.200 5.338 4.962 5.547 . 0 0 "[ . 1]" 2
132 1 43 ILE CD1 1 49 GLY CA 3.825 . 6.650 6.623 6.189 6.853 0.203 2 0 "[ . 1]" 2
133 1 50 LYS CA 1 53 GLY CA 3.825 . 6.650 4.401 4.336 4.487 . 0 0 "[ . 1]" 2
134 1 9 LEU CB 1 16 GLU CA 4.600 . 8.200 5.383 5.066 5.966 . 0 0 "[ . 1]" 2
135 1 51 ASN CB 1 52 ASP CA 4.600 . 8.200 4.719 4.701 4.737 . 0 0 "[ . 1]" 2
136 1 52 ASP CA 1 64 ASP CB 4.600 . 8.200 8.134 7.980 8.238 0.038 2 0 "[ . 1]" 2
137 1 22 HIS CB 1 54 THR CG2 4.600 . 8.200 5.635 4.650 6.224 . 0 0 "[ . 1]" 2
138 1 13 SER CA 1 59 LYS CE 4.600 . 8.200 6.338 5.902 6.699 . 0 0 "[ . 1]" 2
139 1 21 GLY CA 1 43 ILE CB 4.600 . 8.200 6.295 5.709 6.798 . 0 0 "[ . 1]" 2
140 1 50 LYS CA 1 54 THR CG2 3.825 . 6.650 4.302 4.216 4.516 . 0 0 "[ . 1]" 2
141 1 62 THR CA 1 64 ASP CB 4.600 . 8.200 8.338 8.195 8.446 0.246 9 0 "[ . 1]" 2
142 1 43 ILE CB 1 50 LYS CA 3.825 . 6.650 5.361 5.316 5.476 . 0 0 "[ . 1]" 2
143 1 33 LEU CG 1 38 LYS CA 3.825 . 6.650 5.130 4.554 5.462 . 0 0 "[ . 1]" 2
144 1 38 LYS CA 1 47 ALA CA 4.600 . 8.200 6.569 6.147 6.992 . 0 0 "[ . 1]" 2
145 1 44 LEU CG 1 66 GLY CA 4.600 . 8.200 5.914 5.276 6.195 . 0 0 "[ . 1]" 2
146 1 67 HIS CA 1 68 GLY CA 3.825 . 6.650 3.806 3.801 3.813 . 0 0 "[ . 1]" 2
147 1 44 LEU CG 1 69 ILE CB 3.825 . 6.650 4.786 4.393 5.352 . 0 0 "[ . 1]" 2
148 1 69 ILE CB 1 71 VAL CB 4.600 . 8.200 6.140 5.917 6.289 . 0 0 "[ . 1]" 2
149 1 43 ILE CD1 1 50 LYS CA 3.825 . 6.650 5.180 4.814 5.563 . 0 0 "[ . 1]" 2
150 1 71 VAL CA 1 72 ARG CA 4.600 . 8.200 3.801 3.796 3.811 . 0 0 "[ . 1]" 2
151 1 15 VAL CG2 1 17 VAL CB 4.600 . 8.200 5.242 5.061 5.410 . 0 0 "[ . 1]" 2
152 1 25 THR CA 1 71 VAL CG1 4.600 . 8.200 5.057 4.891 5.307 . 0 0 "[ . 1]" 2
153 1 71 VAL CB 1 72 ARG CA 4.600 . 8.200 4.434 4.392 4.452 . 0 0 "[ . 1]" 2
154 1 17 VAL CB 1 70 PHE CB 4.600 . 8.200 7.829 7.727 7.917 . 0 0 "[ . 1]" 2
155 1 71 VAL CA 1 72 ARG CD 4.600 . 8.200 6.217 5.962 6.325 . 0 0 "[ . 1]" 2
156 1 26 VAL CG2 1 71 VAL CA 4.600 . 8.200 6.096 5.665 6.953 . 0 0 "[ . 1]" 2
157 1 73 GLN CB 1 74 SER CA 4.600 . 8.200 4.468 4.422 4.518 . 0 0 "[ . 1]" 2
158 1 17 VAL CA 1 50 LYS CA 3.825 . 6.650 5.841 5.522 6.263 . 0 0 "[ . 1]" 2
159 1 65 GLU CA 1 78 VAL CB 4.600 . 8.200 7.733 7.148 8.173 . 0 0 "[ . 1]" 2
160 1 26 VAL CB 1 76 ILE CD1 4.600 . 8.200 5.630 4.605 7.706 . 0 0 "[ . 1]" 2
161 1 76 ILE CA 1 76 ILE CD1 3.825 . 6.650 3.694 2.964 3.853 . 0 0 "[ . 1]" 2
162 1 76 ILE CD1 1 78 VAL CA 4.600 . 8.200 7.546 6.650 8.342 0.142 10 0 "[ . 1]" 2
163 1 15 VAL CB 1 76 ILE CG2 4.600 . 8.200 6.534 4.588 7.894 . 0 0 "[ . 1]" 2
164 1 15 VAL CB 1 17 VAL CA 4.600 . 8.200 5.101 4.658 5.760 . 0 0 "[ . 1]" 2
165 1 78 VAL CA 1 79 PHE CA 4.600 . 8.200 3.803 3.796 3.813 . 0 0 "[ . 1]" 2
166 1 32 THR CG2 1 53 GLY CA 4.600 . 8.200 8.099 6.046 8.691 0.491 6 0 "[ . 1]" 2
167 1 15 VAL C 1 15 VAL CG1 2.750 . 4.500 3.830 3.822 3.840 . 0 0 "[ . 1]" 2
168 1 18 ILE CD1 1 18 ILE CG2 2.750 . 4.500 3.022 2.764 3.078 . 0 0 "[ . 1]" 2
169 1 24 GLY C 1 25 THR CA 2.750 . 4.500 2.441 2.430 2.446 . 0 0 "[ . 1]" 2
170 1 25 THR C 1 25 THR CG2 2.750 . 4.500 3.148 2.875 3.829 . 0 0 "[ . 1]" 2
171 1 29 VAL C 1 29 VAL CG2 2.750 . 4.500 2.824 2.740 2.917 . 0 0 "[ . 1]" 2
172 1 36 THR C 1 36 THR CG2 2.750 . 4.500 3.493 2.850 3.847 . 0 0 "[ . 1]" 2
173 1 40 VAL C 1 40 VAL CG2 2.750 . 4.500 3.842 3.835 3.847 . 0 0 "[ . 1]" 2
174 1 42 VAL C 1 42 VAL CG2 2.750 . 4.500 3.843 3.836 3.848 . 0 0 "[ . 1]" 2
175 1 42 VAL C 1 42 VAL CG1 2.750 . 4.500 2.977 2.923 3.042 . 0 0 "[ . 1]" 2
176 1 43 ILE CD1 1 43 ILE CG2 3.300 . 5.600 3.778 3.020 3.877 . 0 0 "[ . 1]" 2
177 1 48 LYS CA 1 49 GLY C 2.750 . 4.500 4.328 4.313 4.344 . 0 0 "[ . 1]" 2
178 1 54 THR C 1 55 VAL CA 2.750 . 4.500 2.439 2.430 2.443 . 0 0 "[ . 1]" 2
179 1 71 VAL C 1 71 VAL CG2 2.750 . 4.500 3.017 2.947 3.160 . 0 0 "[ . 1]" 2
180 1 71 VAL C 1 71 VAL CG1 2.750 . 4.500 3.838 3.813 3.846 . 0 0 "[ . 1]" 2
181 1 9 LEU CA 1 9 LEU CD1 3.350 . 5.700 2.846 2.642 3.154 . 0 0 "[ . 1]" 2
182 1 11 VAL CB 1 28 TYR CA 4.000 . 7.000 6.670 5.774 7.072 0.072 2 0 "[ . 1]" 2
183 1 9 LEU CD1 1 11 VAL CG2 4.000 . 7.000 7.746 6.788 8.285 1.285 9 6 "[ -**.** +1]" 2
184 1 9 LEU C 1 13 SER CB 4.000 . 7.000 5.426 5.160 5.859 . 0 0 "[ . 1]" 2
185 1 13 SER CB 1 26 VAL CG2 4.000 . 7.000 5.177 3.853 6.006 . 0 0 "[ . 1]" 2
186 1 9 LEU CA 1 15 VAL CG2 4.000 . 7.000 7.756 6.553 8.355 1.355 2 8 "[*+- ** ***]" 2
187 1 16 GLU CA 1 18 ILE CG1 4.000 . 7.000 6.721 6.540 6.907 . 0 0 "[ . 1]" 2
188 1 16 GLU CA 1 18 ILE CG1 4.000 . 7.000 6.698 6.518 6.879 . 0 0 "[ . 1]" 2
189 1 23 ARG CB 1 44 LEU C 4.000 . 6.650 6.402 6.322 6.588 . 0 0 "[ . 1]" 2
190 1 24 GLY C 1 25 THR CB 4.000 . 6.650 3.500 3.441 3.597 . 0 0 "[ . 1]" 2
191 1 24 GLY C 1 26 VAL CG1 4.000 . 6.650 7.319 6.199 7.849 1.199 3 7 "[*-+*. ***]" 2
192 1 28 TYR CB 1 32 THR CG2 4.000 . 7.000 7.015 6.881 7.125 0.125 6 0 "[ . 1]" 2
193 1 29 VAL CG1 1 30 GLY C 4.000 . 7.000 6.677 6.559 6.798 . 0 0 "[ . 1]" 2
194 1 11 VAL CG1 1 39 TRP CA 4.000 . 7.000 8.546 8.369 8.640 1.640 5 10 [****+****-] 2
195 1 31 ALA CB 1 32 THR CA 4.000 . 5.700 4.655 4.494 4.761 . 0 0 "[ . 1]" 2
196 1 23 ARG CA 1 35 ALA CB 4.000 . 6.650 6.339 6.274 6.389 . 0 0 "[ . 1]" 2
197 1 27 ALA CB 1 34 PHE CB 3.350 . 5.700 5.227 4.960 5.432 . 0 0 "[ . 1]" 2
198 1 35 ALA C 1 36 THR CB 3.350 . 5.700 3.676 3.669 3.683 . 0 0 "[ . 1]" 2
199 1 37 GLY C 1 38 LYS CB 3.350 . 5.700 3.506 3.349 3.657 . 0 0 "[ . 1]" 2
200 1 37 GLY C 1 38 LYS CG 4.000 . 7.000 4.733 4.610 4.871 . 0 0 "[ . 1]" 2
201 1 38 LYS CG 1 39 TRP C 3.350 . 5.700 4.665 4.561 4.770 . 0 0 "[ . 1]" 2
202 1 38 LYS CE 1 40 VAL CB 4.000 . 7.000 5.783 5.339 6.361 . 0 0 "[ . 1]" 2
203 1 28 TYR CB 1 29 VAL CG1 4.000 . 7.000 5.544 5.248 5.731 . 0 0 "[ . 1]" 2
204 1 42 VAL C 1 43 ILE CG2 4.000 . 6.650 4.898 4.763 4.925 . 0 0 "[ . 1]" 2
205 1 43 ILE CG2 1 44 LEU CA 4.000 . 6.650 4.592 4.437 5.123 . 0 0 "[ . 1]" 2
206 1 22 HIS CA 1 43 ILE CG1 3.350 . 5.700 5.360 5.119 5.569 . 0 0 "[ . 1]" 2
207 1 44 LEU C 1 44 LEU CD1 4.000 . 5.800 3.925 3.812 4.105 . 0 0 "[ . 1]" 2
208 1 44 LEU CG 1 69 ILE CD1 4.000 . 7.000 5.748 4.081 6.372 . 0 0 "[ . 1]" 2
209 1 46 GLU CA 1 47 ALA C 4.000 . 7.000 4.414 4.333 4.496 . 0 0 "[ . 1]" 2
210 1 46 GLU CG 1 48 LYS CD 4.000 . 6.650 5.705 4.035 6.732 0.082 4 0 "[ . 1]" 2
211 1 44 LEU CB 1 48 LYS CG 4.000 . 7.000 4.402 3.634 4.889 . 0 0 "[ . 1]" 2
212 1 50 LYS C 1 50 LYS CD 4.000 . 5.800 3.573 3.353 4.147 . 0 0 "[ . 1]" 2
213 1 50 LYS CD 1 51 ASN CA 4.000 . 6.650 4.628 4.365 5.491 . 0 0 "[ . 1]" 2
214 1 52 ASP CB 1 53 GLY CA 4.000 . 7.000 4.804 4.783 4.814 . 0 0 "[ . 1]" 2
215 1 55 VAL CB 1 56 GLN CA 3.350 . 5.700 4.639 4.532 4.686 . 0 0 "[ . 1]" 2
216 1 58 ARG CA 1 59 LYS CB 3.350 . 5.700 4.754 4.744 4.763 . 0 0 "[ . 1]" 2
217 1 59 LYS CG 1 60 TYR C 4.000 . 7.000 5.033 4.678 5.452 . 0 0 "[ . 1]" 2
218 1 63 CYS CB 1 64 ASP CA 3.350 . 5.700 4.434 4.303 4.588 . 0 0 "[ . 1]" 2
219 1 63 CYS CB 1 65 GLU CA 4.000 . 7.000 6.597 6.529 6.665 . 0 0 "[ . 1]" 2
220 1 63 CYS CB 1 64 ASP CB 3.350 . 5.700 5.325 5.124 5.567 . 0 0 "[ . 1]" 2
221 1 42 VAL CG1 1 69 ILE CB 4.000 . 7.000 6.549 5.951 6.885 . 0 0 "[ . 1]" 2
222 1 71 VAL CB 1 72 ARG CB 3.350 . 5.700 5.479 5.450 5.501 . 0 0 "[ . 1]" 2
223 1 72 ARG C 1 73 GLN CA 3.350 . 5.700 2.428 2.426 2.431 . 0 0 "[ . 1]" 2
224 1 72 ARG CB 1 73 GLN CA 4.000 . 7.000 4.405 4.297 4.513 . 0 0 "[ . 1]" 2
225 1 71 VAL CB 1 76 ILE CA 3.350 . 5.700 5.050 4.674 5.364 . 0 0 "[ . 1]" 2
226 1 76 ILE CD1 1 76 ILE CG2 3.350 . 5.700 3.007 2.713 3.089 . 0 0 "[ . 1]" 2
227 1 9 LEU CA 1 13 SER CB 3.825 . 6.650 5.690 5.274 6.193 . 0 0 "[ . 1]" 2
228 1 9 LEU CD1 1 47 ALA CB 4.600 . 8.200 6.000 4.509 7.187 . 0 0 "[ . 1]" 2
229 1 11 VAL C 1 13 SER CB 3.825 . 6.650 4.939 4.811 5.030 . 0 0 "[ . 1]" 2
230 1 13 SER CB 1 15 VAL CG1 3.825 . 6.650 4.621 4.457 4.811 . 0 0 "[ . 1]" 2
231 1 13 SER CB 1 24 GLY C 4.600 . 8.200 7.788 7.498 8.124 . 0 0 "[ . 1]" 2
232 1 15 VAL CG1 1 16 GLU C 3.825 . 6.650 6.284 6.225 6.329 . 0 0 "[ . 1]" 2
233 1 15 VAL CG1 1 16 GLU CA 4.600 . 8.200 5.865 5.765 5.917 . 0 0 "[ . 1]" 2
234 1 15 VAL CG1 1 22 HIS CB 3.825 . 6.650 5.425 4.546 5.817 . 0 0 "[ . 1]" 2
235 1 15 VAL CG1 1 25 THR CG2 4.600 . 8.200 7.617 7.143 7.952 . 0 0 "[ . 1]" 2
236 1 16 GLU CA 1 65 GLU CA 4.600 . 8.200 7.013 6.813 7.084 . 0 0 "[ . 1]" 2
237 1 9 LEU CA 1 62 THR CA 4.600 . 8.200 6.077 5.421 6.745 . 0 0 "[ . 1]" 2
238 1 16 GLU CG 1 18 ILE C 3.825 . 6.650 6.806 6.741 6.882 0.232 8 0 "[ . 1]" 2
239 1 16 GLU CG 1 23 ARG CB 3.825 . 6.650 6.185 5.338 6.492 . 0 0 "[ . 1]" 2
240 1 16 GLU CG 1 79 PHE CB 4.600 . 8.200 7.722 6.493 8.262 0.062 1 0 "[ . 1]" 2
241 1 16 GLU CA 1 17 VAL CA 4.600 . 8.200 3.796 3.791 3.801 . 0 0 "[ . 1]" 2
242 1 15 VAL CG1 1 17 VAL CB 4.600 . 8.200 8.083 7.921 8.185 . 0 0 "[ . 1]" 2
243 1 15 VAL CG1 1 18 ILE CA 4.600 . 8.200 10.314 10.188 10.489 2.289 2 10 [*+****-***] 2
244 1 18 ILE CA 1 76 ILE CA 4.600 . 8.200 6.085 5.836 6.518 . 0 0 "[ . 1]" 2
245 1 18 ILE CA 1 76 ILE CB 4.600 . 8.200 7.333 7.056 7.792 . 0 0 "[ . 1]" 2
246 1 18 ILE CA 1 76 ILE CG1 4.600 . 8.200 7.569 7.184 7.896 . 0 0 "[ . 1]" 2
247 1 19 GLY CA 1 20 LYS CD 4.600 . 8.200 6.154 5.590 6.794 . 0 0 "[ . 1]" 2
248 1 19 GLY CA 1 25 THR CA 4.600 . 8.200 7.827 7.665 7.931 . 0 0 "[ . 1]" 2
249 1 20 LYS CD 1 21 GLY CA 3.825 . 6.650 5.548 4.923 6.331 . 0 0 "[ . 1]" 2
250 1 16 GLU CG 1 22 HIS CB 3.825 . 6.650 5.902 4.975 6.221 . 0 0 "[ . 1]" 2
251 1 23 ARG CA 1 45 ASP CA 4.600 . 8.200 6.059 5.919 6.347 . 0 0 "[ . 1]" 2
252 1 23 ARG CB 1 44 LEU CB 3.825 . 6.650 6.775 6.704 6.838 0.188 4 0 "[ . 1]" 2
253 1 23 ARG CB 1 45 ASP C 4.600 . 8.200 6.721 6.343 7.071 . 0 0 "[ . 1]" 2
254 1 15 VAL CG1 1 25 THR CB 4.600 . 8.200 5.503 5.230 5.897 . 0 0 "[ . 1]" 2
255 1 25 THR CB 1 42 VAL CG2 3.825 . 6.650 7.195 7.087 7.409 0.759 2 7 "[-+ ***** 1]" 2
256 1 25 THR CB 1 44 LEU CA 4.600 . 8.200 7.044 6.859 7.138 . 0 0 "[ . 1]" 2
257 1 13 SER CB 1 25 THR CG2 3.825 . 6.650 5.986 5.569 6.506 . 0 0 "[ . 1]" 2
258 1 15 VAL CG1 1 26 VAL CA 4.600 . 8.200 7.370 7.001 7.936 . 0 0 "[ . 1]" 2
259 1 26 VAL CA 1 76 ILE CA 4.600 . 8.200 9.768 9.241 10.561 2.361 10 10 [*******-*+] 2
260 1 25 THR CA 1 26 VAL CA 4.600 . 8.200 3.572 3.542 3.592 . 0 0 "[ . 1]" 2
261 1 11 VAL CA 1 27 ALA CB 4.600 . 8.200 7.012 6.689 7.251 . 0 0 "[ . 1]" 2
262 1 27 ALA CB 1 28 TYR CG 3.825 . 6.650 6.290 6.192 6.350 . 0 0 "[ . 1]" 2
263 1 25 THR CG2 1 43 ILE CD1 4.600 . 8.200 3.498 3.324 3.715 . 0 0 "[ . 1]" 2
264 1 28 TYR CA 1 41 GLY C 4.600 . 8.200 4.989 4.867 5.268 . 0 0 "[ . 1]" 2
265 1 11 VAL CG2 1 28 TYR CB 4.600 . 8.200 6.226 5.515 7.030 . 0 0 "[ . 1]" 2
266 1 28 TYR CB 1 60 TYR CB 4.600 . 8.200 4.719 3.982 6.377 . 0 0 "[ . 1]" 2
267 1 28 TYR CB 1 29 VAL CA 3.825 . 6.650 4.684 4.631 4.730 . 0 0 "[ . 1]" 2
268 1 28 TYR CZ 1 29 VAL CG2 4.600 . 8.200 7.470 7.068 7.821 . 0 0 "[ . 1]" 2
269 1 29 VAL CG2 1 30 GLY CA 3.825 . 6.650 4.392 4.313 4.545 . 0 0 "[ . 1]" 2
270 1 12 GLY CA 1 38 LYS CA 3.825 . 6.650 5.759 5.562 6.073 . 0 0 "[ . 1]" 2
271 1 31 ALA CB 1 32 THR CB 3.825 . 6.650 5.825 5.623 5.955 . 0 0 "[ . 1]" 2
272 1 31 ALA C 1 32 THR CB 4.600 . 8.200 3.565 3.392 3.690 . 0 0 "[ . 1]" 2
273 1 32 THR CB 1 33 LEU CA 3.825 . 6.650 4.524 4.468 4.558 . 0 0 "[ . 1]" 2
274 1 25 THR CB 1 34 PHE CB 3.825 . 6.650 4.213 4.083 4.317 . 0 0 "[ . 1]" 2
275 1 32 THR CB 1 38 LYS CA 4.600 . 8.200 7.864 7.372 8.219 0.019 3 0 "[ . 1]" 2
276 1 32 THR CB 1 34 PHE CB 4.600 . 8.200 4.548 4.474 4.634 . 0 0 "[ . 1]" 2
277 1 36 THR CA 1 38 LYS CA 3.825 . 6.650 6.717 6.631 6.804 0.154 9 0 "[ . 1]" 2
278 1 37 GLY CA 1 38 LYS CA 4.600 . 8.200 3.801 3.794 3.807 . 0 0 "[ . 1]" 2
279 1 38 LYS CB 1 40 VAL CG1 3.825 . 6.650 8.363 7.895 8.977 2.327 5 10 [****+-****] 2
280 1 38 LYS CB 1 73 GLN CA 4.600 . 8.200 6.400 5.519 7.067 . 0 0 "[ . 1]" 2
281 1 27 ALA CB 1 38 LYS CD 4.600 . 8.200 5.152 4.763 5.501 . 0 0 "[ . 1]" 2
282 1 38 LYS CD 1 39 TRP CA 3.825 . 6.650 5.773 5.389 6.050 . 0 0 "[ . 1]" 2
283 1 38 LYS CE 1 39 TRP CA 4.600 . 8.200 6.360 6.031 7.249 . 0 0 "[ . 1]" 2
284 1 38 LYS CG 1 58 ARG CA 3.825 . 6.650 6.228 5.658 6.648 . 0 0 "[ . 1]" 2
285 1 26 VAL CG2 1 40 VAL CA 3.825 . 6.650 7.066 6.498 8.226 1.576 5 3 "[ +*- 1]" 2
286 1 40 VAL CA 1 69 ILE CG2 4.600 . 8.200 8.154 7.795 8.384 0.184 8 0 "[ . 1]" 2
287 1 16 GLU CB 1 70 PHE CB 3.825 . 6.650 6.610 6.520 6.686 0.036 10 0 "[ . 1]" 2
288 1 42 VAL CA 1 67 HIS CB 4.600 . 8.200 4.031 3.827 4.217 . 0 0 "[ . 1]" 2
289 1 42 VAL CA 1 44 LEU C 4.600 . 8.200 7.398 7.244 7.521 . 0 0 "[ . 1]" 2
290 1 15 VAL CG1 1 25 THR CA 3.825 . 6.650 5.573 5.401 5.793 . 0 0 "[ . 1]" 2
291 1 23 ARG CA 1 35 ALA CB 3.825 . 6.650 8.731 8.479 8.832 2.182 1 10 [+-********] 2
292 1 35 ALA CB 1 70 PHE CB 4.600 . 8.200 6.733 5.994 7.374 . 0 0 "[ . 1]" 2
293 1 32 THR CG2 1 33 LEU CB 4.600 . 8.200 5.627 5.512 5.750 . 0 0 "[ . 1]" 2
294 1 28 TYR CB 1 29 VAL CG2 3.825 . 6.650 5.761 5.434 5.953 . 0 0 "[ . 1]" 2
295 1 42 VAL CB 1 43 ILE CA 4.600 . 8.200 4.607 4.574 4.634 . 0 0 "[ . 1]" 2
296 1 43 ILE CA 1 44 LEU CA 4.600 . 6.650 3.786 3.774 3.803 . 0 0 "[ . 1]" 2
297 1 42 VAL CA 1 67 HIS CB 4.600 . 8.200 4.031 3.827 4.217 . 0 0 "[ . 1]" 2
298 1 29 VAL CG2 1 60 TYR CB 4.600 . 8.200 5.157 4.992 5.268 . 0 0 "[ . 1]" 2
299 1 25 THR CG2 1 60 TYR CB 4.600 . 8.200 5.230 4.906 5.534 . 0 0 "[ . 1]" 2
300 1 40 VAL CG2 1 43 ILE CD1 3.825 . 6.650 7.242 6.880 7.669 1.019 5 6 "[ *- +* **1]" 2
301 1 27 ALA CB 1 43 ILE CD1 3.825 . 6.650 3.527 3.348 3.742 . 0 0 "[ . 1]" 2
302 1 42 VAL C 1 43 ILE CD1 3.825 . 6.650 3.347 3.266 3.487 . 0 0 "[ . 1]" 2
303 1 22 HIS CA 1 43 ILE CD1 3.825 . 6.650 6.644 6.521 6.691 0.041 9 0 "[ . 1]" 2
304 1 43 ILE CD1 1 44 LEU CB 4.600 . 8.200 7.623 7.423 7.682 . 0 0 "[ . 1]" 2
305 1 43 ILE CD1 1 44 LEU CG 3.825 . 6.650 7.458 7.048 7.867 1.217 8 9 "[* *****+*-]" 2
306 1 43 ILE CD1 1 52 ASP CA 4.600 . 8.200 8.121 7.447 8.305 0.105 10 0 "[ . 1]" 2
307 1 24 GLY C 1 43 ILE CG2 4.600 . 8.200 6.226 5.953 6.778 . 0 0 "[ . 1]" 2
308 1 43 ILE CG2 1 44 LEU CB 4.600 . 8.200 5.819 5.667 6.249 . 0 0 "[ . 1]" 2
309 1 43 ILE CG2 1 45 ASP C 4.600 . 8.200 6.603 6.300 7.139 . 0 0 "[ . 1]" 2
310 1 43 ILE CG2 1 63 CYS C 4.600 . 8.200 7.032 6.265 7.477 . 0 0 "[ . 1]" 2
311 1 43 ILE CG2 1 67 HIS CB 4.600 . 8.200 3.870 3.410 4.075 . 0 0 "[ . 1]" 2
312 1 43 ILE CA 1 44 LEU CB 4.600 . 8.200 4.825 4.812 4.842 . 0 0 "[ . 1]" 2
313 1 33 LEU CB 1 48 LYS CG 4.600 . 8.200 4.402 3.634 4.889 . 0 0 "[ . 1]" 2
314 1 33 LEU CB 1 65 GLU CB 3.825 . 6.650 5.018 4.277 5.726 . 0 0 "[ . 1]" 2
315 1 44 LEU CD1 1 45 ASP CB 4.600 . 8.200 6.465 6.018 6.748 . 0 0 "[ . 1]" 2
316 1 43 ILE CG1 1 44 LEU CD2 3.825 . 6.650 6.474 6.042 6.957 0.307 10 0 "[ . 1]" 2
317 1 44 LEU CG 1 46 GLU CG 4.600 . 8.200 7.200 5.675 7.984 . 0 0 "[ . 1]" 2
318 1 42 VAL CA 1 44 LEU CD1 3.825 . 6.650 4.609 4.500 4.775 . 0 0 "[ . 1]" 2
319 1 25 THR CB 1 45 ASP CB 4.600 . 8.200 8.017 7.518 8.212 0.012 3 0 "[ . 1]" 2
320 1 45 ASP CB 1 46 GLU CA 3.825 . 6.650 4.496 4.434 4.620 . 0 0 "[ . 1]" 2
321 1 46 GLU CA 1 47 ALA CB 3.825 . 6.650 4.840 4.824 4.849 . 0 0 "[ . 1]" 2
322 1 44 LEU CB 1 47 ALA CB 4.600 . 8.200 7.730 7.499 7.974 . 0 0 "[ . 1]" 2
323 1 46 GLU CG 1 47 ALA CB 3.825 . 6.650 5.929 4.730 6.581 . 0 0 "[ . 1]" 2
324 1 47 ALA CB 1 48 LYS CD 4.600 . 6.650 6.726 6.260 6.989 0.339 4 0 "[ . 1]" 2
325 1 47 ALA C 1 48 LYS CD 3.400 . 5.800 4.381 3.967 4.625 . 0 0 "[ . 1]" 2
326 1 44 LEU CG 1 49 GLY CA 4.600 . 8.200 8.377 8.335 8.434 0.234 3 0 "[ . 1]" 2
327 1 50 LYS CB 1 51 ASN CA 3.825 . 6.650 4.638 4.610 4.667 . 0 0 "[ . 1]" 2
328 1 51 ASN CA 1 55 VAL CG1 4.600 . 8.200 8.692 6.684 9.235 1.035 2 6 "[*+- . ***1]" 2
329 1 31 ALA CB 1 52 ASP CA 4.600 . 8.200 8.207 8.042 8.310 0.110 10 0 "[ . 1]" 2
330 1 25 THR CB 1 45 ASP CB 4.600 . 8.200 6.051 5.662 6.643 . 0 0 "[ . 1]" 2
331 1 27 ALA CB 1 51 ASN CB 4.600 . 8.200 5.830 5.185 6.445 . 0 0 "[ . 1]" 2
332 1 55 VAL CB 1 56 GLN CG 3.825 . 6.650 5.591 4.648 6.364 . 0 0 "[ . 1]" 2
333 1 54 THR CB 1 55 VAL CG1 4.600 . 8.200 6.853 5.696 7.241 . 0 0 "[ . 1]" 2
334 1 16 GLU CA 1 27 ALA CB 4.600 . 8.200 6.455 5.944 6.776 . 0 0 "[ . 1]" 2
335 1 55 VAL CG1 1 61 PHE CD2 4.600 . 8.200 8.564 5.453 10.254 2.054 5 7 "[ ***+ *- *]" 2
336 1 34 PHE CB 1 56 GLN CA 4.600 . 8.200 7.710 6.706 8.208 0.008 10 0 "[ . 1]" 2
337 1 52 ASP CA 1 55 VAL CA 3.825 . 6.650 5.077 4.863 5.293 . 0 0 "[ . 1]" 2
338 1 23 ARG CB 1 43 ILE CB 4.600 . 8.200 5.653 5.469 5.728 . 0 0 "[ . 1]" 2
339 1 59 LYS CB 1 62 THR CB 4.600 . 8.200 7.094 6.784 7.655 . 0 0 "[ . 1]" 2
340 1 59 LYS CD 1 61 PHE C 3.825 . 6.650 6.287 5.872 6.631 . 0 0 "[ . 1]" 2
341 1 59 LYS CD 1 62 THR CG2 4.600 . 8.200 6.711 6.338 7.763 . 0 0 "[ . 1]" 2
342 1 59 LYS CE 1 62 THR CA 4.600 . 8.200 5.855 5.386 6.242 . 0 0 "[ . 1]" 2
343 1 60 TYR CB 1 62 THR CA 4.600 . 8.200 4.463 4.415 4.513 . 0 0 "[ . 1]" 2
344 1 52 ASP CA 1 62 THR CB 4.600 . 8.200 6.519 5.850 7.315 . 0 0 "[ . 1]" 2
345 1 62 THR CB 1 65 GLU CB 4.600 . 8.200 10.595 10.168 11.276 3.076 4 10 [***+****-*] 2
346 1 43 ILE CD1 1 61 PHE CA 4.600 . 8.200 5.917 5.617 6.129 . 0 0 "[ . 1]" 2
347 1 38 LYS CA 1 67 HIS CB 4.600 . 8.200 5.893 5.286 6.370 . 0 0 "[ . 1]" 2
348 1 63 CYS CA 1 64 ASP CB 4.600 . 8.200 4.840 4.827 4.848 . 0 0 "[ . 1]" 2
349 1 64 ASP CB 1 65 GLU CA 3.825 . 6.650 4.584 4.561 4.609 . 0 0 "[ . 1]" 2
350 1 37 GLY CA 1 64 ASP CB 4.600 . 8.200 6.450 6.193 6.602 . 0 0 "[ . 1]" 2
351 1 38 LYS CA 1 43 ILE CB 3.825 . 6.650 5.372 5.313 5.487 . 0 0 "[ . 1]" 2
352 1 51 ASN CA 1 67 HIS CA 4.600 . 8.200 7.001 6.581 7.268 . 0 0 "[ . 1]" 2
353 1 50 LYS CA 1 51 ASN CB 4.600 . 8.200 3.755 3.653 3.937 . 0 0 "[ . 1]" 2
354 1 63 CYS C 1 67 HIS CB 3.825 . 6.650 5.633 5.090 6.140 . 0 0 "[ . 1]" 2
355 1 25 THR CG2 1 30 GLY CA 4.600 . 8.200 4.985 4.659 5.373 . 0 0 "[ . 1]" 2
356 1 40 VAL CG2 1 43 ILE CD1 4.600 . 8.200 9.978 9.863 10.046 1.846 6 10 [***-*+****] 2
357 1 69 ILE CD1 1 71 VAL CG1 4.600 . 8.200 5.784 5.118 6.554 . 0 0 "[ . 1]" 2
358 1 42 VAL CG1 1 70 PHE CB 4.600 . 8.200 9.438 9.099 9.699 1.499 4 10 [***+-*****] 2
359 1 50 LYS CB 1 70 PHE CB 4.600 . 8.200 8.149 8.019 8.313 0.113 5 0 "[ . 1]" 2
360 1 71 VAL CB 1 76 ILE CG1 4.600 . 8.200 5.551 4.024 6.261 . 0 0 "[ . 1]" 2
361 1 71 VAL CG1 1 72 ARG CA 3.825 . 6.650 5.814 5.700 5.863 . 0 0 "[ . 1]" 2
362 1 38 LYS CA 1 72 ARG CA 4.600 . 8.200 6.352 5.731 7.049 . 0 0 "[ . 1]" 2
363 1 72 ARG CA 1 73 GLN CG 4.600 . 8.200 5.614 4.953 6.211 . 0 0 "[ . 1]" 2
364 1 73 GLN CA 1 76 ILE CG1 4.600 . 8.200 5.973 4.482 6.450 . 0 0 "[ . 1]" 2
365 1 73 GLN CB 1 74 SER CB 3.825 . 6.650 5.341 5.273 5.442 . 0 0 "[ . 1]" 2
366 1 71 VAL CA 1 73 GLN CB 3.825 . 6.650 4.447 4.403 4.498 . 0 0 "[ . 1]" 2
367 1 73 GLN CG 1 74 SER CB 4.600 . 8.200 5.922 4.630 6.857 . 0 0 "[ . 1]" 2
368 1 15 VAL C 1 76 ILE CD1 3.825 . 6.650 6.071 5.490 6.730 0.080 10 0 "[ . 1]" 2
369 1 15 VAL CB 1 76 ILE CD1 3.825 . 6.650 5.261 4.734 5.898 . 0 0 "[ . 1]" 2
370 1 17 VAL CB 1 76 ILE CD1 4.600 . 8.200 5.659 4.293 6.548 . 0 0 "[ . 1]" 2
371 1 71 VAL CB 1 76 ILE CD1 4.600 . 8.200 5.489 4.574 6.141 . 0 0 "[ . 1]" 2
372 1 76 ILE C 1 76 ILE CD1 4.600 . 8.200 4.477 4.348 4.991 . 0 0 "[ . 1]" 2
373 1 9 LEU CD1 1 11 VAL CG2 4.600 . 8.200 7.442 6.649 7.924 . 0 0 "[ . 1]" 2
374 1 77 GLN CB 1 79 PHE CB 4.600 . 8.200 7.084 6.160 7.887 . 0 0 "[ . 1]" 2
375 1 64 ASP CA 1 65 GLU CA 4.600 . 8.200 3.802 3.799 3.805 . 0 0 "[ . 1]" 2
376 1 51 ASN CB 1 65 GLU CB 4.600 . 8.200 5.988 5.519 6.358 . 0 0 "[ . 1]" 2
377 1 10 ARG CA 1 11 VAL CG2 4.600 . 8.200 5.015 4.732 5.773 . 0 0 "[ . 1]" 2
378 1 31 ALA CB 1 36 THR CA 4.600 . 8.200 6.343 5.730 6.928 . 0 0 "[ . 1]" 2
379 1 9 LEU CD1 1 13 SER CB 4.600 . 8.200 5.707 4.511 7.948 . 0 0 "[ . 1]" 2
380 1 9 LEU CG 1 13 SER CB 4.600 . 8.200 5.321 5.009 5.597 . 0 0 "[ . 1]" 2
381 1 13 SER CB 1 15 VAL CB 4.600 . 8.200 6.023 5.869 6.162 . 0 0 "[ . 1]" 2
382 1 15 VAL CB 1 76 ILE CG1 4.600 . 8.200 5.287 4.798 6.323 . 0 0 "[ . 1]" 2
383 1 16 GLU CA 1 76 ILE CB 4.600 . 8.200 6.933 6.778 7.186 . 0 0 "[ . 1]" 2
384 1 16 GLU CB 1 76 ILE CA 4.600 . 8.200 8.185 7.992 8.260 0.060 9 0 "[ . 1]" 2
385 1 16 GLU CG 1 17 VAL CA 4.600 . 8.200 4.787 4.514 4.881 . 0 0 "[ . 1]" 2
386 1 17 VAL CA 1 23 ARG CB 4.600 . 8.200 8.223 8.101 8.350 0.150 5 0 "[ . 1]" 2
387 1 16 GLU CB 1 18 ILE CA 4.600 . 8.200 6.399 6.256 6.609 . 0 0 "[ . 1]" 2
388 1 21 GLY CA 1 23 ARG CA 4.600 . 8.200 6.540 6.523 6.561 . 0 0 "[ . 1]" 2
389 1 29 VAL CA 1 41 GLY CA 4.600 . 8.200 3.768 3.760 3.778 . 0 0 "[ . 1]" 2
390 1 40 VAL CA 1 72 ARG CA 4.600 . 8.200 6.364 6.052 6.784 . 0 0 "[ . 1]" 2
391 1 40 VAL CB 1 42 VAL CA 4.600 . 8.200 6.206 6.095 6.301 . 0 0 "[ . 1]" 2
392 1 40 VAL CB 1 70 PHE CA 4.600 . 8.200 6.013 5.931 6.084 . 0 0 "[ . 1]" 2
393 1 42 VAL CB 1 43 ILE CA 4.600 . 8.200 4.393 4.341 4.425 . 0 0 "[ . 1]" 2
394 1 43 ILE CA 1 67 HIS CB 4.600 . 8.200 4.054 3.845 4.246 . 0 0 "[ . 1]" 2
395 1 44 LEU CB 1 69 ILE CB 4.600 . 8.200 6.131 5.875 6.360 . 0 0 "[ . 1]" 2
396 1 44 LEU CG 1 45 ASP CA 4.600 . 8.200 5.961 5.828 6.067 . 0 0 "[ . 1]" 2
397 1 49 GLY CA 1 50 LYS CG 4.600 . 8.200 5.707 5.179 5.917 . 0 0 "[ . 1]" 2
398 1 49 GLY CA 1 65 GLU CA 4.600 . 8.200 6.873 6.806 6.972 . 0 0 "[ . 1]" 2
399 1 51 ASN CA 1 69 ILE CA 4.600 . 8.200 8.113 7.787 8.392 0.192 5 0 "[ . 1]" 2
400 1 51 ASN CB 1 55 VAL CA 4.600 . 8.200 8.233 8.030 8.367 0.167 5 0 "[ . 1]" 2
401 1 60 TYR CB 1 62 THR CA 4.600 . 8.200 7.985 7.751 8.142 . 0 0 "[ . 1]" 2
402 1 62 THR CA 1 64 ASP CA 4.600 . 8.200 7.134 7.064 7.187 . 0 0 "[ . 1]" 2
403 1 15 VAL CA 1 17 VAL CB 4.600 . 8.200 4.815 4.433 5.423 . 0 0 "[ . 1]" 2
404 1 16 GLU CA 1 21 GLY CA 4.600 . 8.200 5.768 5.534 5.946 . 0 0 "[ . 1]" 2
405 1 63 CYS CA 1 68 GLY CA 4.600 . 8.200 6.456 6.072 7.075 . 0 0 "[ . 1]" 2
406 1 69 ILE CA 1 71 VAL CG1 4.600 . 8.200 5.484 5.346 5.784 . 0 0 "[ . 1]" 2
407 1 70 PHE CA 1 71 VAL CB 4.600 . 8.200 4.616 4.581 4.658 . 0 0 "[ . 1]" 2
408 1 40 VAL CA 1 70 PHE CB 4.600 . 8.200 5.688 5.587 5.870 . 0 0 "[ . 1]" 2
409 1 40 VAL CG2 1 70 PHE CB 4.600 . 8.200 7.706 7.577 7.859 . 0 0 "[ . 1]" 2
410 1 40 VAL CG1 1 70 PHE CB 4.600 . 8.200 7.683 7.545 7.831 . 0 0 "[ . 1]" 2
411 1 39 TRP CA 1 71 VAL CA 4.600 . 8.200 5.689 5.289 6.110 . 0 0 "[ . 1]" 2
412 1 70 PHE CB 1 71 VAL CB 4.600 . 8.200 5.766 5.687 5.852 . 0 0 "[ . 1]" 2
413 1 72 ARG CA 1 73 GLN CA 4.600 . 8.200 3.800 3.796 3.803 . 0 0 "[ . 1]" 2
414 1 17 VAL CB 1 75 GLN CA 4.600 . 8.200 5.807 5.399 6.409 . 0 0 "[ . 1]" 2
415 1 72 ARG CB 1 76 ILE CA 4.600 . 8.200 4.399 4.321 4.591 . 0 0 "[ . 1]" 2
416 1 75 GLN CB 1 76 ILE CA 4.600 . 8.200 4.439 4.354 4.637 . 0 0 "[ . 1]" 2
417 1 17 VAL CA 1 76 ILE CA 4.600 . 8.200 4.647 4.345 5.257 . 0 0 "[ . 1]" 2
418 1 27 ALA CA 1 40 VAL CB 4.600 . 8.200 7.840 7.663 8.074 . 0 0 "[ . 1]" 2
419 1 9 LEU CD1 1 77 GLN CA 4.600 . 8.200 6.560 5.903 7.845 . 0 0 "[ . 1]" 2
420 1 15 VAL CA 1 76 ILE CB 4.600 . 8.200 7.394 7.078 7.804 . 0 0 "[ . 1]" 2
421 1 16 GLU CA 1 17 VAL CA 4.600 . 8.200 3.800 3.794 3.805 . 0 0 "[ . 1]" 2
422 1 16 GLU CA 1 22 HIS CB 4.600 . 8.200 6.899 6.795 7.047 . 0 0 "[ . 1]" 2
423 1 16 GLU CA 1 76 ILE CG1 4.600 . 8.200 6.525 6.050 7.115 . 0 0 "[ . 1]" 2
424 1 16 GLU CG 1 77 GLN CB 4.600 . 8.200 7.945 7.546 8.231 0.031 2 0 "[ . 1]" 2
425 1 25 THR CA 1 44 LEU CB 4.600 . 8.200 7.835 7.718 7.957 . 0 0 "[ . 1]" 2
426 1 26 VAL CB 1 42 VAL CB 4.600 . 8.200 5.459 5.293 5.602 . 0 0 "[ . 1]" 2
427 1 27 ALA CA 1 42 VAL CB 4.600 . 8.200 6.907 6.753 7.146 . 0 0 "[ . 1]" 2
428 1 33 LEU CB 1 35 ALA CA 4.600 . 8.200 6.752 6.703 6.777 . 0 0 "[ . 1]" 2
429 1 40 VAL CB 1 72 ARG CA 4.600 . 8.200 5.882 5.356 6.558 . 0 0 "[ . 1]" 2
430 1 42 VAL CB 1 70 PHE CB 4.600 . 8.200 7.939 7.639 8.197 . 0 0 "[ . 1]" 2
431 1 42 VAL CG2 1 45 ASP CA 4.600 . 8.200 10.813 10.710 10.922 2.722 9 10 [*-******+*] 2
432 1 42 VAL CG2 1 71 VAL CA 4.600 . 8.200 6.014 5.794 6.211 . 0 0 "[ . 1]" 2
433 1 44 LEU CG 1 66 GLY CA 4.600 . 8.200 7.481 7.255 7.710 . 0 0 "[ . 1]" 2
434 1 45 ASP CA 1 67 HIS CB 4.600 . 8.200 6.720 6.067 7.461 . 0 0 "[ . 1]" 2
435 1 45 ASP CA 1 48 LYS CG 4.600 . 8.200 8.163 6.912 8.437 0.237 6 0 "[ . 1]" 2
436 1 54 THR CA 1 59 LYS CG 4.600 . 8.200 5.000 4.704 5.342 . 0 0 "[ . 1]" 2
437 1 53 GLY CA 1 62 THR CA 4.600 . 8.200 4.525 4.012 5.110 . 0 0 "[ . 1]" 2
438 1 52 ASP CA 1 65 GLU CA 4.600 . 8.200 6.151 5.819 6.285 . 0 0 "[ . 1]" 2
439 1 64 ASP CB 1 66 GLY CA 4.600 . 8.200 6.465 6.204 6.620 . 0 0 "[ . 1]" 2
440 1 70 PHE CA 1 72 ARG CA 4.600 . 8.200 7.083 7.032 7.144 . 0 0 "[ . 1]" 2
441 1 72 ARG CA 1 75 GLN CA 4.600 . 8.200 5.184 4.974 5.460 . 0 0 "[ . 1]" 2
442 1 77 GLN CA 1 78 VAL CB 4.600 . 8.200 4.798 4.700 4.840 . 0 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 54
_Distance_constraint_stats_list.Viol_count 14
_Distance_constraint_stats_list.Viol_total 22.634
_Distance_constraint_stats_list.Viol_max 0.343
_Distance_constraint_stats_list.Viol_rms 0.0283
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0042
_Distance_constraint_stats_list.Viol_average_violations_only 0.1617
_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 10 ARG 0.000 0.000 . 0 "[ . 1]"
1 12 GLY 0.000 0.000 . 0 "[ . 1]"
1 13 SER 0.000 0.000 . 0 "[ . 1]"
1 15 VAL 0.000 0.000 . 0 "[ . 1]"
1 17 VAL 0.000 0.000 . 0 "[ . 1]"
1 18 ILE 0.000 0.000 . 0 "[ . 1]"
1 21 GLY 0.000 0.000 . 0 "[ . 1]"
1 23 ARG 0.000 0.000 . 0 "[ . 1]"
1 24 GLY 0.000 0.000 . 0 "[ . 1]"
1 25 THR 0.000 0.000 . 0 "[ . 1]"
1 26 VAL 0.000 0.000 . 0 "[ . 1]"
1 27 ALA 0.000 0.000 . 0 "[ . 1]"
1 28 TYR 0.000 0.000 . 0 "[ . 1]"
1 30 GLY 0.000 0.000 . 0 "[ . 1]"
1 32 THR 0.000 0.000 . 0 "[ . 1]"
1 35 ALA 0.000 0.000 . 0 "[ . 1]"
1 39 TRP 0.000 0.000 . 0 "[ . 1]"
1 40 VAL 0.000 0.000 . 0 "[ . 1]"
1 41 GLY 0.000 0.000 . 0 "[ . 1]"
1 42 VAL 0.000 0.000 . 0 "[ . 1]"
1 43 ILE 0.000 0.000 . 0 "[ . 1]"
1 45 ASP 0.000 0.000 . 0 "[ . 1]"
1 48 LYS 1.606 0.343 9 0 "[ . 1]"
1 50 LYS 1.606 0.343 9 0 "[ . 1]"
1 55 VAL 0.000 0.000 . 0 "[ . 1]"
1 58 ARG 0.000 0.000 . 0 "[ . 1]"
1 64 ASP 0.600 0.264 9 0 "[ . 1]"
1 66 GLY 0.000 0.000 . 0 "[ . 1]"
1 67 HIS 0.600 0.264 9 0 "[ . 1]"
1 68 GLY 0.000 0.000 . 0 "[ . 1]"
1 69 ILE 0.000 0.000 . 0 "[ . 1]"
1 71 VAL 0.000 0.000 . 0 "[ . 1]"
1 72 ARG 0.058 0.058 3 0 "[ . 1]"
1 75 GLN 0.000 0.000 . 0 "[ . 1]"
1 76 ILE 0.058 0.058 3 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 10 ARG O 1 13 SER N 3.000 2.300 3.500 3.140 3.090 3.229 . 0 0 "[ . 1]" 3
2 1 10 ARG O 1 13 SER H 2.000 . 2.500 2.234 2.174 2.303 . 0 0 "[ . 1]" 3
3 1 13 SER O 1 26 VAL N 3.000 2.300 3.500 3.211 3.110 3.326 . 0 0 "[ . 1]" 3
4 1 13 SER O 1 26 VAL H 2.000 . 2.500 2.283 2.173 2.389 . 0 0 "[ . 1]" 3
5 1 15 VAL O 1 24 GLY N 3.000 2.300 3.500 3.067 2.843 3.199 . 0 0 "[ . 1]" 3
6 1 15 VAL O 1 24 GLY H 2.000 . 2.500 2.180 1.950 2.311 . 0 0 "[ . 1]" 3
7 1 17 VAL N 1 21 GLY O 3.000 2.300 3.500 3.006 2.949 3.089 . 0 0 "[ . 1]" 3
8 1 17 VAL H 1 21 GLY O 2.000 . 2.500 2.192 2.064 2.300 . 0 0 "[ . 1]" 3
9 1 23 ARG O 1 45 ASP N 3.000 2.300 3.500 3.050 2.888 3.179 . 0 0 "[ . 1]" 3
10 1 23 ARG O 1 45 ASP H 2.000 . 2.500 2.109 1.938 2.260 . 0 0 "[ . 1]" 3
11 1 15 VAL N 1 24 GLY O 3.000 2.300 3.500 3.029 2.912 3.121 . 0 0 "[ . 1]" 3
12 1 15 VAL H 1 24 GLY O 2.000 . 2.500 2.116 1.951 2.226 . 0 0 "[ . 1]" 3
13 1 25 THR O 1 43 ILE N 3.000 2.300 3.500 2.789 2.634 2.874 . 0 0 "[ . 1]" 3
14 1 25 THR O 1 43 ILE H 2.000 . 2.500 1.820 1.663 1.904 . 0 0 "[ . 1]" 3
15 1 12 GLY N 1 26 VAL O 3.000 2.300 3.500 2.937 2.818 3.243 . 0 0 "[ . 1]" 3
16 1 12 GLY H 1 26 VAL O 2.000 . 2.500 2.048 1.928 2.273 . 0 0 "[ . 1]" 3
17 1 28 TYR O 1 41 GLY N 3.000 2.300 3.500 2.616 2.580 2.716 . 0 0 "[ . 1]" 3
18 1 28 TYR O 1 41 GLY H 2.000 . 2.500 1.698 1.648 1.796 . 0 0 "[ . 1]" 3
19 1 30 GLY O 1 39 TRP N 3.000 2.300 3.500 3.065 2.972 3.178 . 0 0 "[ . 1]" 3
20 1 30 GLY O 1 39 TRP H 2.000 . 2.500 2.191 2.079 2.285 . 0 0 "[ . 1]" 3
21 1 32 THR O 1 35 ALA N 3.000 2.300 3.500 3.156 3.094 3.207 . 0 0 "[ . 1]" 3
22 1 32 THR O 1 35 ALA H 2.000 . 2.500 2.271 2.217 2.305 . 0 0 "[ . 1]" 3
23 1 30 GLY N 1 39 TRP O 3.000 2.300 3.500 3.211 3.145 3.255 . 0 0 "[ . 1]" 3
24 1 30 GLY H 1 39 TRP O 2.000 . 2.500 2.271 2.213 2.301 . 0 0 "[ . 1]" 3
25 1 40 VAL O 1 71 VAL N 3.000 2.300 3.500 3.084 2.947 3.193 . 0 0 "[ . 1]" 3
26 1 40 VAL O 1 71 VAL H 2.000 . 2.500 2.180 2.025 2.290 . 0 0 "[ . 1]" 3
27 1 27 ALA N 1 41 GLY O 3.000 2.300 3.500 2.944 2.708 3.141 . 0 0 "[ . 1]" 3
28 1 27 ALA H 1 41 GLY O 2.000 . 2.500 1.997 1.768 2.172 . 0 0 "[ . 1]" 3
29 1 28 TYR N 1 41 GLY O 3.000 2.300 3.500 3.274 3.167 3.400 . 0 0 "[ . 1]" 3
30 1 28 TYR H 1 41 GLY O 2.000 . 2.500 2.311 2.207 2.453 . 0 0 "[ . 1]" 3
31 1 42 VAL O 1 68 GLY N 3.000 2.300 3.500 3.017 2.884 3.221 . 0 0 "[ . 1]" 3
32 1 42 VAL O 1 68 GLY H 2.000 . 2.500 2.354 2.261 2.488 . 0 0 "[ . 1]" 3
33 1 42 VAL O 1 69 ILE N 3.000 2.300 3.500 2.977 2.875 3.106 . 0 0 "[ . 1]" 3
34 1 42 VAL O 1 69 ILE H 2.000 . 2.500 2.197 2.080 2.270 . 0 0 "[ . 1]" 3
35 1 25 THR N 1 43 ILE O 3.000 2.300 3.500 2.908 2.729 3.107 . 0 0 "[ . 1]" 3
36 1 25 THR H 1 43 ILE O 2.000 . 2.500 2.015 1.862 2.188 . 0 0 "[ . 1]" 3
37 1 48 LYS O 1 50 LYS N 3.000 2.300 3.500 2.673 2.595 2.784 . 0 0 "[ . 1]" 3
38 1 48 LYS O 1 50 LYS H 2.000 . 2.500 2.661 2.564 2.843 0.343 9 0 "[ . 1]" 3
39 1 50 LYS O 1 66 GLY N 3.000 2.300 3.500 3.031 2.750 3.265 . 0 0 "[ . 1]" 3
40 1 50 LYS O 1 66 GLY H 2.000 . 2.500 2.105 1.925 2.296 . 0 0 "[ . 1]" 3
41 1 55 VAL N 1 58 ARG O 3.000 2.300 3.500 2.978 2.819 3.143 . 0 0 "[ . 1]" 3
42 1 55 VAL H 1 58 ARG O 2.000 . 2.500 2.029 1.875 2.198 . 0 0 "[ . 1]" 3
43 1 64 ASP O 1 67 HIS N 3.000 2.300 3.500 3.207 2.985 3.411 . 0 0 "[ . 1]" 3
44 1 64 ASP O 1 67 HIS H 2.000 . 2.500 2.484 2.297 2.764 0.264 9 0 "[ . 1]" 3
45 1 48 LYS N 1 66 GLY O 3.000 2.300 3.500 2.513 2.395 2.939 . 0 0 "[ . 1]" 3
46 1 48 LYS H 1 66 GLY O 2.000 . 2.500 1.785 1.641 2.195 . 0 0 "[ . 1]" 3
47 1 42 VAL N 1 69 ILE O 3.000 2.300 3.500 3.083 2.895 3.254 . 0 0 "[ . 1]" 3
48 1 42 VAL H 1 69 ILE O 2.000 . 2.500 2.116 1.923 2.284 . 0 0 "[ . 1]" 3
49 1 40 VAL N 1 71 VAL O 3.000 2.300 3.500 3.032 2.690 3.206 . 0 0 "[ . 1]" 3
50 1 40 VAL H 1 71 VAL O 2.000 . 2.500 2.197 1.840 2.301 . 0 0 "[ . 1]" 3
51 1 72 ARG O 1 76 ILE N 3.000 2.300 3.500 3.102 3.017 3.232 . 0 0 "[ . 1]" 3
52 1 72 ARG O 1 76 ILE H 2.000 . 2.500 2.184 2.047 2.558 0.058 3 0 "[ . 1]" 3
53 1 18 ILE N 1 75 GLN O 3.000 2.300 3.500 3.088 2.643 3.205 . 0 0 "[ . 1]" 3
54 1 18 ILE H 1 75 GLN O 2.000 . 2.500 2.217 1.683 2.298 . 0 0 "[ . 1]" 3
stop_
save_
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