Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
592211 | 2mqf RC | 25031 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2mqf
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 443
_Distance_constraint_stats_list.Viol_count 203
_Distance_constraint_stats_list.Viol_total 70.558
_Distance_constraint_stats_list.Viol_max 0.051
_Distance_constraint_stats_list.Viol_rms 0.0034
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0004
_Distance_constraint_stats_list.Viol_average_violations_only 0.0174
_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 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 3 CYS 0.422 0.034 18 0 "[ . 1 . 2]"
1 4 LYS 0.095 0.030 2 0 "[ . 1 . 2]"
1 5 GLY 0.251 0.040 20 0 "[ . 1 . 2]"
1 6 PHE 0.279 0.040 20 0 "[ . 1 . 2]"
1 7 GLY 0.047 0.017 18 0 "[ . 1 . 2]"
1 8 LYS 0.878 0.051 20 0 "[ . 1 . 2]"
1 9 SER 0.845 0.051 20 0 "[ . 1 . 2]"
1 10 CYS 0.020 0.008 13 0 "[ . 1 . 2]"
1 11 VAL 0.004 0.002 2 0 "[ . 1 . 2]"
1 12 PRO 0.075 0.007 14 0 "[ . 1 . 2]"
1 13 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 LYS 0.004 0.002 2 0 "[ . 1 . 2]"
1 15 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 CYS 0.219 0.021 15 0 "[ . 1 . 2]"
1 18 CYS 0.511 0.034 18 0 "[ . 1 . 2]"
1 19 SER 0.802 0.049 11 0 "[ . 1 . 2]"
1 20 GLY 0.799 0.049 11 0 "[ . 1 . 2]"
1 21 TYR 0.301 0.029 14 0 "[ . 1 . 2]"
1 22 ALA 0.026 0.014 2 0 "[ . 1 . 2]"
1 23 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 24 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 SER 0.050 0.006 5 0 "[ . 1 . 2]"
1 26 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 LYS 0.027 0.007 14 0 "[ . 1 . 2]"
1 29 TRP 0.088 0.022 14 0 "[ . 1 . 2]"
1 30 CYS 0.058 0.022 20 0 "[ . 1 . 2]"
1 31 LYS 0.039 0.022 20 0 "[ . 1 . 2]"
1 32 VAL 0.192 0.034 4 0 "[ . 1 . 2]"
1 33 LEU 0.304 0.034 4 0 "[ . 1 . 2]"
1 34 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 4 LYS H 1 4 LYS HG2 . . 3.800 3.085 2.619 3.814 0.014 16 0 "[ . 1 . 2]" 1
2 1 4 LYS H 1 4 LYS HG3 . . 3.800 3.417 2.868 3.806 0.006 12 0 "[ . 1 . 2]" 1
3 1 6 PHE H 1 6 PHE HB2 . . 2.950 2.763 2.555 2.862 . 0 0 "[ . 1 . 2]" 1
4 1 6 PHE H 1 6 PHE HB3 . . 2.950 2.415 2.378 2.635 . 0 0 "[ . 1 . 2]" 1
5 1 8 LYS H 1 8 LYS HB2 . . 3.000 2.430 2.332 2.530 . 0 0 "[ . 1 . 2]" 1
6 1 8 LYS H 1 8 LYS HB3 . . 3.810 3.665 3.613 3.708 . 0 0 "[ . 1 . 2]" 1
7 1 8 LYS H 1 8 LYS HG3 . . 3.880 3.781 3.570 3.884 0.004 5 0 "[ . 1 . 2]" 1
8 1 8 LYS H 1 8 LYS HG2 . . 3.160 2.859 2.544 3.087 . 0 0 "[ . 1 . 2]" 1
9 1 8 LYS H 1 8 LYS QD . . 4.670 4.563 4.318 4.692 0.022 14 0 "[ . 1 . 2]" 1
10 1 14 LYS H 1 14 LYS HB3 . . 3.780 3.588 3.511 3.685 . 0 0 "[ . 1 . 2]" 1
11 1 14 LYS H 1 14 LYS HB2 . . 3.080 2.304 2.218 2.456 . 0 0 "[ . 1 . 2]" 1
12 1 14 LYS H 1 14 LYS HG2 . . 4.590 4.252 3.934 4.472 . 0 0 "[ . 1 . 2]" 1
13 1 14 LYS H 1 14 LYS HG3 . . 4.590 3.255 2.768 3.976 . 0 0 "[ . 1 . 2]" 1
14 1 14 LYS H 1 14 LYS HD2 . . 5.500 4.049 2.334 5.145 . 0 0 "[ . 1 . 2]" 1
15 1 14 LYS H 1 14 LYS HD3 . . 5.500 4.218 2.548 5.223 . 0 0 "[ . 1 . 2]" 1
16 1 15 ASN H 1 15 ASN HB2 . . 3.990 2.740 2.292 3.747 . 0 0 "[ . 1 . 2]" 1
17 1 15 ASN H 1 15 ASN HB3 . . 3.990 3.542 2.745 3.815 . 0 0 "[ . 1 . 2]" 1
18 1 16 GLU H 1 16 GLU HG2 . . 4.000 2.862 2.284 3.486 . 0 0 "[ . 1 . 2]" 1
19 1 14 LYS HB3 1 16 GLU H . . 3.750 3.724 3.659 3.745 . 0 0 "[ . 1 . 2]" 1
20 1 17 CYS H 1 17 CYS HB3 . . 3.600 3.577 3.555 3.591 . 0 0 "[ . 1 . 2]" 1
21 1 17 CYS H 1 17 CYS HB2 . . 3.210 2.307 2.248 2.347 . 0 0 "[ . 1 . 2]" 1
22 1 18 CYS H 1 18 CYS HB3 . . 3.720 3.264 3.053 3.489 . 0 0 "[ . 1 . 2]" 1
23 1 18 CYS H 1 18 CYS HB2 . . 3.180 2.156 2.088 2.227 . 0 0 "[ . 1 . 2]" 1
24 1 18 CYS HB3 1 19 SER H . . 3.020 2.253 2.098 2.409 . 0 0 "[ . 1 . 2]" 1
25 1 3 CYS HB2 1 19 SER H . . 4.660 4.600 4.511 4.646 . 0 0 "[ . 1 . 2]" 1
26 1 21 TYR H 1 21 TYR HB3 . . 3.660 3.671 3.640 3.689 0.029 14 0 "[ . 1 . 2]" 1
27 1 21 TYR H 1 21 TYR HB2 . . 4.050 2.460 2.430 2.483 . 0 0 "[ . 1 . 2]" 1
28 1 22 ALA H 1 22 ALA MB . . 3.230 2.646 2.591 2.707 . 0 0 "[ . 1 . 2]" 1
29 1 22 ALA HA 1 23 CYS H . . 3.350 2.170 2.136 2.223 . 0 0 "[ . 1 . 2]" 1
30 1 26 ARG H 1 26 ARG HG2 . . 4.800 3.927 1.981 4.638 . 0 0 "[ . 1 . 2]" 1
31 1 26 ARG H 1 26 ARG HG3 . . 4.800 3.926 2.641 4.560 . 0 0 "[ . 1 . 2]" 1
32 1 30 CYS H 1 30 CYS HB2 . . 2.930 2.456 2.394 2.524 . 0 0 "[ . 1 . 2]" 1
33 1 29 TRP HB2 1 30 CYS H . . 2.870 2.035 2.002 2.131 . 0 0 "[ . 1 . 2]" 1
34 1 31 LYS H 1 31 LYS HB3 . . 3.700 3.546 3.487 3.588 . 0 0 "[ . 1 . 2]" 1
35 1 31 LYS H 1 31 LYS HG3 . . 4.390 2.798 2.588 2.933 . 0 0 "[ . 1 . 2]" 1
36 1 31 LYS H 1 31 LYS HG2 . . 4.390 2.902 2.792 3.142 . 0 0 "[ . 1 . 2]" 1
37 1 22 ALA MB 1 31 LYS H . . 4.460 3.872 3.731 4.041 . 0 0 "[ . 1 . 2]" 1
38 1 30 CYS HB3 1 31 LYS H . . 4.310 2.746 2.695 2.876 . 0 0 "[ . 1 . 2]" 1
39 1 32 VAL H 1 32 VAL HB . . 3.040 2.578 2.504 2.656 . 0 0 "[ . 1 . 2]" 1
40 1 33 LEU H 1 33 LEU HB3 . . 3.570 3.573 3.550 3.587 0.017 1 0 "[ . 1 . 2]" 1
41 1 33 LEU H 1 33 LEU HB2 . . 3.570 2.303 2.239 2.348 . 0 0 "[ . 1 . 2]" 1
42 1 33 LEU H 1 33 LEU HG . . 3.450 2.641 2.546 2.789 . 0 0 "[ . 1 . 2]" 1
43 1 32 VAL MG1 1 33 LEU H . . 3.510 2.736 2.532 2.938 . 0 0 "[ . 1 . 2]" 1
44 1 2 GLU HA 1 3 CYS H . . 2.530 2.346 2.140 2.519 . 0 0 "[ . 1 . 2]" 1
45 1 2 GLU HB3 1 3 CYS H . . 4.140 3.279 2.246 4.129 . 0 0 "[ . 1 . 2]" 1
46 1 2 GLU HB2 1 3 CYS H . . 4.140 3.362 2.202 4.066 . 0 0 "[ . 1 . 2]" 1
47 1 2 GLU QG 1 3 CYS H . . 4.490 3.532 2.105 4.405 . 0 0 "[ . 1 . 2]" 1
48 1 3 CYS H 1 3 CYS HB2 . . 3.770 3.756 3.614 3.799 0.029 3 0 "[ . 1 . 2]" 1
49 1 3 CYS H 1 3 CYS HB3 . . 3.360 3.244 2.641 3.358 . 0 0 "[ . 1 . 2]" 1
50 1 4 LYS H 1 4 LYS HB2 . . 3.050 2.527 2.421 2.627 . 0 0 "[ . 1 . 2]" 1
51 1 3 CYS HB3 1 4 LYS H . . 3.820 3.483 3.406 3.578 . 0 0 "[ . 1 . 2]" 1
52 1 4 LYS H 1 18 CYS HA . . 4.720 3.838 3.612 4.057 . 0 0 "[ . 1 . 2]" 1
53 1 3 CYS HA 1 4 LYS H . . 3.410 2.578 2.501 2.638 . 0 0 "[ . 1 . 2]" 1
54 1 4 LYS H 1 17 CYS HA . . 3.230 2.584 2.453 2.718 . 0 0 "[ . 1 . 2]" 1
55 1 4 LYS H 1 5 GLY H . . 4.730 4.553 4.393 4.599 . 0 0 "[ . 1 . 2]" 1
56 1 3 CYS H 1 4 LYS H . . 4.800 4.481 4.439 4.616 . 0 0 "[ . 1 . 2]" 1
57 1 5 GLY H 1 8 LYS HB2 . . 4.370 3.259 2.705 3.713 . 0 0 "[ . 1 . 2]" 1
58 1 5 GLY H 1 8 LYS HB3 . . 5.060 4.003 3.501 4.294 . 0 0 "[ . 1 . 2]" 1
59 1 5 GLY H 1 8 LYS QD . . 4.250 3.553 3.227 3.810 . 0 0 "[ . 1 . 2]" 1
60 1 5 GLY H 1 8 LYS HG3 . . 3.810 1.997 1.921 2.225 . 0 0 "[ . 1 . 2]" 1
61 1 5 GLY H 1 8 LYS HG2 . . 4.630 3.528 3.253 3.884 . 0 0 "[ . 1 . 2]" 1
62 1 4 LYS HA 1 5 GLY H . . 2.650 2.317 2.139 2.585 . 0 0 "[ . 1 . 2]" 1
63 1 5 GLY HA3 1 6 PHE H . . 3.010 2.399 2.269 2.550 . 0 0 "[ . 1 . 2]" 1
64 1 6 PHE H 1 21 TYR QE . . 4.070 3.959 3.737 4.059 . 0 0 "[ . 1 . 2]" 1
65 1 5 GLY H 1 6 PHE H . . 4.440 4.400 4.274 4.480 0.040 20 0 "[ . 1 . 2]" 1
66 1 7 GLY H 1 29 TRP HB2 . . 4.920 4.340 4.192 4.686 . 0 0 "[ . 1 . 2]" 1
67 1 7 GLY H 1 30 CYS HB3 . . 5.210 4.302 3.889 4.743 . 0 0 "[ . 1 . 2]" 1
68 1 7 GLY H 1 8 LYS HB2 . . 5.050 4.631 4.375 4.916 . 0 0 "[ . 1 . 2]" 1
69 1 7 GLY H 1 30 CYS HB2 . . 3.910 3.100 2.766 3.591 . 0 0 "[ . 1 . 2]" 1
70 1 6 PHE HA 1 7 GLY H . . 2.840 2.187 2.140 2.275 . 0 0 "[ . 1 . 2]" 1
71 1 7 GLY H 1 31 LYS HA . . 4.700 4.334 3.825 4.616 . 0 0 "[ . 1 . 2]" 1
72 1 7 GLY H 1 29 TRP HZ3 . . 4.340 3.336 2.916 3.772 . 0 0 "[ . 1 . 2]" 1
73 1 7 GLY H 1 29 TRP HE3 . . 3.740 2.965 2.725 3.520 . 0 0 "[ . 1 . 2]" 1
74 1 6 PHE H 1 7 GLY H . . 4.650 4.612 4.545 4.667 0.017 18 0 "[ . 1 . 2]" 1
75 1 6 PHE QD 1 7 GLY H . . 4.290 3.371 2.657 3.674 . 0 0 "[ . 1 . 2]" 1
76 1 8 LYS H 1 29 TRP HB2 . . 4.140 4.004 3.903 4.140 . 13 0 "[ . 1 . 2]" 1
77 1 8 LYS H 1 30 CYS HB2 . . 3.610 2.812 2.633 2.988 . 0 0 "[ . 1 . 2]" 1
78 1 6 PHE HA 1 8 LYS H . . 4.380 3.278 3.149 3.403 . 0 0 "[ . 1 . 2]" 1
79 1 8 LYS H 1 29 TRP HA . . 5.420 5.145 5.014 5.370 . 0 0 "[ . 1 . 2]" 1
80 1 7 GLY H 1 8 LYS H . . 3.430 2.378 2.157 2.583 . 0 0 "[ . 1 . 2]" 1
81 1 8 LYS HA 1 9 SER H . . 2.700 2.294 2.174 2.394 . 0 0 "[ . 1 . 2]" 1
82 1 9 SER H 1 9 SER QB . . 2.800 2.527 2.113 2.757 . 0 0 "[ . 1 . 2]" 1
83 1 9 SER H 1 29 TRP HB2 . . 5.260 5.069 4.728 5.282 0.022 14 0 "[ . 1 . 2]" 1
84 1 8 LYS HB2 1 9 SER H . . 4.250 3.915 3.647 4.204 . 0 0 "[ . 1 . 2]" 1
85 1 8 LYS HB3 1 9 SER H . . 3.270 2.721 2.441 3.119 . 0 0 "[ . 1 . 2]" 1
86 1 8 LYS QD 1 9 SER H . . 4.000 3.506 3.228 3.839 . 0 0 "[ . 1 . 2]" 1
87 1 8 LYS HG3 1 9 SER H . . 5.500 5.060 4.856 5.389 . 0 0 "[ . 1 . 2]" 1
88 1 8 LYS H 1 9 SER H . . 4.560 4.599 4.556 4.611 0.051 20 0 "[ . 1 . 2]" 1
89 1 9 SER H 1 29 TRP HA . . 5.430 4.913 4.731 5.155 . 0 0 "[ . 1 . 2]" 1
90 1 9 SER HA 1 10 CYS H . . 3.310 2.146 2.131 2.188 . 0 0 "[ . 1 . 2]" 1
91 1 10 CYS H 1 29 TRP HA . . 3.440 2.127 1.933 2.314 . 0 0 "[ . 1 . 2]" 1
92 1 9 SER QB 1 10 CYS H . . 3.490 3.342 3.067 3.498 0.008 13 0 "[ . 1 . 2]" 1
93 1 10 CYS H 1 10 CYS HB3 . . 3.760 3.174 3.034 3.281 . 0 0 "[ . 1 . 2]" 1
94 1 10 CYS H 1 29 TRP HB2 . . 4.920 4.291 3.821 4.495 . 0 0 "[ . 1 . 2]" 1
95 1 10 CYS H 1 28 LYS HB3 . . 4.380 3.753 3.430 4.162 . 0 0 "[ . 1 . 2]" 1
96 1 10 CYS H 1 28 LYS HB2 . . 5.340 5.001 4.726 5.293 . 0 0 "[ . 1 . 2]" 1
97 1 10 CYS H 1 11 VAL H . . 5.190 4.473 4.445 4.510 . 0 0 "[ . 1 . 2]" 1
98 1 10 CYS HA 1 11 VAL H . . 2.960 2.477 2.441 2.489 . 0 0 "[ . 1 . 2]" 1
99 1 10 CYS HB2 1 11 VAL H . . 3.340 2.335 2.315 2.407 . 0 0 "[ . 1 . 2]" 1
100 1 11 VAL H 1 11 VAL HB . . 3.020 2.545 2.530 2.558 . 0 0 "[ . 1 . 2]" 1
101 1 11 VAL H 1 11 VAL MG2 . . 3.030 2.498 2.324 2.647 . 0 0 "[ . 1 . 2]" 1
102 1 11 VAL H 1 12 PRO HD2 . . 5.080 4.871 4.868 4.873 . 0 0 "[ . 1 . 2]" 1
103 1 12 PRO HA 1 13 GLY H . . 3.400 2.151 2.148 2.155 . 0 0 "[ . 1 . 2]" 1
104 1 12 PRO HA 1 14 LYS H . . 4.350 3.516 3.474 3.596 . 0 0 "[ . 1 . 2]" 1
105 1 13 GLY H 1 14 LYS H . . 3.600 2.524 2.463 2.637 . 0 0 "[ . 1 . 2]" 1
106 1 14 LYS HA 1 15 ASN H . . 3.570 2.490 2.178 2.599 . 0 0 "[ . 1 . 2]" 1
107 1 14 LYS HB3 1 15 ASN H . . 3.790 2.293 2.013 3.135 . 0 0 "[ . 1 . 2]" 1
108 1 14 LYS HB2 1 15 ASN H . . 4.370 3.687 3.426 4.236 . 0 0 "[ . 1 . 2]" 1
109 1 14 LYS HB2 1 16 GLU H . . 4.400 4.091 3.729 4.352 . 0 0 "[ . 1 . 2]" 1
110 1 10 CYS HB2 1 16 GLU H . . 5.090 4.513 4.309 4.770 . 0 0 "[ . 1 . 2]" 1
111 1 15 ASN H 1 16 GLU H . . 3.830 3.577 3.421 3.765 . 0 0 "[ . 1 . 2]" 1
112 1 16 GLU HB3 1 17 CYS H . . 4.130 3.728 3.567 3.852 . 0 0 "[ . 1 . 2]" 1
113 1 4 LYS HB2 1 17 CYS H . . 5.210 4.060 3.845 4.231 . 0 0 "[ . 1 . 2]" 1
114 1 16 GLU HG3 1 17 CYS H . . 4.760 4.414 3.878 4.749 . 0 0 "[ . 1 . 2]" 1
115 1 15 ASN HA 1 17 CYS H . . 4.440 3.837 3.661 3.990 . 0 0 "[ . 1 . 2]" 1
116 1 16 GLU H 1 17 CYS H . . 3.170 2.148 2.009 2.292 . 0 0 "[ . 1 . 2]" 1
117 1 17 CYS H 1 18 CYS H . . 5.030 4.688 4.684 4.692 . 0 0 "[ . 1 . 2]" 1
118 1 4 LYS HB2 1 18 CYS H . . 3.930 3.732 3.521 3.876 . 0 0 "[ . 1 . 2]" 1
119 1 17 CYS HB2 1 18 CYS H . . 4.040 4.037 3.954 4.061 0.021 15 0 "[ . 1 . 2]" 1
120 1 3 CYS HB3 1 18 CYS H . . 4.760 4.760 4.631 4.794 0.034 18 0 "[ . 1 . 2]" 1
121 1 5 GLY HA2 1 18 CYS H . . 4.560 4.069 3.773 4.457 . 0 0 "[ . 1 . 2]" 1
122 1 4 LYS HA 1 18 CYS H . . 5.210 5.025 4.809 5.182 . 0 0 "[ . 1 . 2]" 1
123 1 17 CYS HA 1 18 CYS H . . 2.700 2.292 2.265 2.356 . 0 0 "[ . 1 . 2]" 1
124 1 4 LYS H 1 18 CYS H . . 3.680 3.112 2.953 3.301 . 0 0 "[ . 1 . 2]" 1
125 1 18 CYS H 1 21 TYR H . . 4.990 4.623 4.460 4.856 . 0 0 "[ . 1 . 2]" 1
126 1 18 CYS HB2 1 19 SER H . . 3.700 3.664 3.621 3.704 0.004 18 0 "[ . 1 . 2]" 1
127 1 18 CYS HA 1 19 SER H . . 2.760 2.641 2.545 2.720 . 0 0 "[ . 1 . 2]" 1
128 1 18 CYS H 1 19 SER H . . 4.640 4.546 4.478 4.609 . 0 0 "[ . 1 . 2]" 1
129 1 19 SER H 1 20 GLY H . . 4.580 4.617 4.597 4.629 0.049 11 0 "[ . 1 . 2]" 1
130 1 19 SER HA 1 20 GLY H . . 2.630 2.164 2.151 2.178 . 0 0 "[ . 1 . 2]" 1
131 1 20 GLY H 1 33 LEU MD1 . . 4.790 3.082 2.779 3.599 . 0 0 "[ . 1 . 2]" 1
132 1 20 GLY H 1 21 TYR H . . 3.130 2.721 2.625 2.879 . 0 0 "[ . 1 . 2]" 1
133 1 21 TYR H 1 22 ALA H . . 5.420 4.580 4.538 4.613 . 0 0 "[ . 1 . 2]" 1
134 1 19 SER HA 1 21 TYR H . . 3.770 3.425 3.365 3.508 . 0 0 "[ . 1 . 2]" 1
135 1 19 SER HB2 1 21 TYR H . . 5.500 5.470 5.462 5.475 . 0 0 "[ . 1 . 2]" 1
136 1 19 SER HB3 1 21 TYR H . . 5.500 5.118 4.914 5.373 . 0 0 "[ . 1 . 2]" 1
137 1 21 TYR H 1 33 LEU MD1 . . 5.100 3.456 3.200 4.001 . 0 0 "[ . 1 . 2]" 1
138 1 18 CYS HB2 1 21 TYR H . . 5.330 5.002 4.710 5.305 . 0 0 "[ . 1 . 2]" 1
139 1 22 ALA H 1 31 LYS HG3 . . 4.640 3.145 3.003 3.384 . 0 0 "[ . 1 . 2]" 1
140 1 22 ALA H 1 30 CYS HB3 . . 4.470 3.868 3.661 4.083 . 0 0 "[ . 1 . 2]" 1
141 1 21 TYR HB2 1 22 ALA H . . 3.560 3.466 3.307 3.574 0.014 2 0 "[ . 1 . 2]" 1
142 1 21 TYR HB3 1 22 ALA H . . 3.750 2.217 2.073 2.319 . 0 0 "[ . 1 . 2]" 1
143 1 22 ALA H 1 32 VAL HA . . 4.650 4.230 4.003 4.404 . 0 0 "[ . 1 . 2]" 1
144 1 21 TYR HA 1 22 ALA H . . 3.000 2.501 2.447 2.578 . 0 0 "[ . 1 . 2]" 1
145 1 21 TYR QD 1 22 ALA H . . 4.240 3.618 3.547 3.684 . 0 0 "[ . 1 . 2]" 1
146 1 22 ALA H 1 31 LYS H . . 3.580 2.113 2.012 2.229 . 0 0 "[ . 1 . 2]" 1
147 1 23 CYS H 1 23 CYS HB3 . . 3.640 3.137 2.809 3.424 . 0 0 "[ . 1 . 2]" 1
148 1 22 ALA MB 1 23 CYS H . . 3.620 3.087 2.909 3.251 . 0 0 "[ . 1 . 2]" 1
149 1 23 CYS HA 1 24 ASN H . . 3.020 2.224 2.187 2.248 . 0 0 "[ . 1 . 2]" 1
150 1 24 ASN H 1 24 ASN HB2 . . 3.390 2.274 2.213 2.338 . 0 0 "[ . 1 . 2]" 1
151 1 24 ASN H 1 24 ASN HB3 . . 3.510 2.874 2.812 2.946 . 0 0 "[ . 1 . 2]" 1
152 1 24 ASN HB3 1 26 ARG H . . 4.920 3.594 3.387 3.723 . 0 0 "[ . 1 . 2]" 1
153 1 24 ASN HA 1 26 ARG H . . 4.990 3.385 3.348 3.617 . 0 0 "[ . 1 . 2]" 1
154 1 25 SER H 1 26 ARG H . . 3.810 2.633 2.557 2.661 . 0 0 "[ . 1 . 2]" 1
155 1 26 ARG H 1 27 ASP H . . 3.330 2.992 2.982 2.994 . 0 0 "[ . 1 . 2]" 1
156 1 25 SER HA 1 27 ASP H . . 5.120 4.549 4.527 4.602 . 0 0 "[ . 1 . 2]" 1
157 1 27 ASP H 1 28 LYS HA . . 5.430 4.356 4.332 4.442 . 0 0 "[ . 1 . 2]" 1
158 1 24 ASN HB3 1 27 ASP H . . 4.260 2.949 2.757 3.016 . 0 0 "[ . 1 . 2]" 1
159 1 27 ASP H 1 28 LYS HG3 . . 5.170 5.006 4.860 5.062 . 0 0 "[ . 1 . 2]" 1
160 1 24 ASN HB3 1 28 LYS H . . 4.950 4.002 3.694 4.100 . 0 0 "[ . 1 . 2]" 1
161 1 28 LYS H 1 28 LYS HG2 . . 4.410 4.249 4.067 4.397 . 0 0 "[ . 1 . 2]" 1
162 1 8 LYS HB2 1 30 CYS H . . 4.620 4.294 4.046 4.472 . 0 0 "[ . 1 . 2]" 1
163 1 8 LYS HB3 1 30 CYS H . . 5.500 5.373 5.087 5.481 . 0 0 "[ . 1 . 2]" 1
164 1 29 TRP HB3 1 30 CYS H . . 3.780 3.582 3.554 3.658 . 0 0 "[ . 1 . 2]" 1
165 1 7 GLY HA2 1 30 CYS H . . 4.970 4.442 4.277 4.646 . 0 0 "[ . 1 . 2]" 1
166 1 6 PHE HA 1 30 CYS H . . 4.910 4.583 4.379 4.797 . 0 0 "[ . 1 . 2]" 1
167 1 29 TRP HA 1 30 CYS H . . 2.990 2.695 2.624 2.725 . 0 0 "[ . 1 . 2]" 1
168 1 29 TRP HD1 1 30 CYS H . . 4.880 4.606 4.431 4.672 . 0 0 "[ . 1 . 2]" 1
169 1 29 TRP HE3 1 30 CYS H . . 4.370 3.183 3.066 3.819 . 0 0 "[ . 1 . 2]" 1
170 1 8 LYS H 1 30 CYS H . . 4.050 3.262 3.144 3.397 . 0 0 "[ . 1 . 2]" 1
171 1 21 TYR HB2 1 31 LYS H . . 4.830 4.478 4.306 4.613 . 0 0 "[ . 1 . 2]" 1
172 1 24 ASN HB2 1 31 LYS H . . 5.370 4.588 4.365 5.359 . 0 0 "[ . 1 . 2]" 1
173 1 30 CYS HB2 1 31 LYS H . . 4.430 3.948 3.876 4.055 . 0 0 "[ . 1 . 2]" 1
174 1 30 CYS HA 1 31 LYS H . . 3.340 2.279 2.237 2.295 . 0 0 "[ . 1 . 2]" 1
175 1 22 ALA HA 1 31 LYS H . . 4.740 4.605 4.537 4.677 . 0 0 "[ . 1 . 2]" 1
176 1 24 ASN H 1 31 LYS H . . 4.780 4.046 3.914 4.354 . 0 0 "[ . 1 . 2]" 1
177 1 31 LYS HB2 1 32 VAL H . . 3.510 2.603 2.359 3.001 . 0 0 "[ . 1 . 2]" 1
178 1 31 LYS HB3 1 32 VAL H . . 4.000 3.776 3.632 3.999 . 0 0 "[ . 1 . 2]" 1
179 1 31 LYS HG3 1 32 VAL H . . 4.810 4.135 3.886 4.417 . 0 0 "[ . 1 . 2]" 1
180 1 32 VAL H 1 32 VAL MG2 . . 3.220 2.155 1.957 2.398 . 0 0 "[ . 1 . 2]" 1
181 1 32 VAL H 1 32 VAL MG1 . . 3.890 3.787 3.779 3.799 . 0 0 "[ . 1 . 2]" 1
182 1 31 LYS HA 1 32 VAL H . . 2.890 2.335 2.204 2.432 . 0 0 "[ . 1 . 2]" 1
183 1 21 TYR QD 1 32 VAL H . . 3.910 3.462 3.187 3.662 . 0 0 "[ . 1 . 2]" 1
184 1 6 PHE QD 1 32 VAL H . . 4.510 3.070 1.972 3.810 . 0 0 "[ . 1 . 2]" 1
185 1 6 PHE QE 1 32 VAL H . . 4.110 2.997 1.997 3.475 . 0 0 "[ . 1 . 2]" 1
186 1 32 VAL H 1 33 LEU H . . 4.520 4.520 4.486 4.554 0.034 4 0 "[ . 1 . 2]" 1
187 1 32 VAL HB 1 33 LEU H . . 4.450 4.278 4.205 4.350 . 0 0 "[ . 1 . 2]" 1
188 1 32 VAL HA 1 33 LEU H . . 2.670 2.136 2.134 2.138 . 0 0 "[ . 1 . 2]" 1
189 1 21 TYR HA 1 33 LEU H . . 3.290 2.479 2.434 2.519 . 0 0 "[ . 1 . 2]" 1
190 1 21 TYR QE 1 33 LEU H . . 5.410 5.303 5.175 5.391 . 0 0 "[ . 1 . 2]" 1
191 1 22 ALA H 1 33 LEU H . . 4.690 4.116 3.972 4.299 . 0 0 "[ . 1 . 2]" 1
192 1 33 LEU HA 1 34 LEU H . . 2.720 2.216 2.138 2.264 . 0 0 "[ . 1 . 2]" 1
193 1 34 LEU H 1 34 LEU QB . . 3.070 2.495 2.133 3.068 . 0 0 "[ . 1 . 2]" 1
194 1 33 LEU HG 1 34 LEU H . . 4.660 4.585 4.527 4.658 . 0 0 "[ . 1 . 2]" 1
195 1 34 LEU H 1 34 LEU MD1 . . 5.050 3.829 1.943 4.381 . 0 0 "[ . 1 . 2]" 1
196 1 34 LEU H 1 34 LEU MD2 . . 5.050 3.691 1.945 4.397 . 0 0 "[ . 1 . 2]" 1
197 1 24 ASN HB3 1 29 TRP HE1 . . 4.490 2.519 2.335 3.521 . 0 0 "[ . 1 . 2]" 1
198 1 29 TRP HE1 1 31 LYS HG2 . . 4.810 4.019 3.330 4.281 . 0 0 "[ . 1 . 2]" 1
199 1 24 ASN HA 1 24 ASN HD22 . . 5.000 4.326 3.323 4.549 . 0 0 "[ . 1 . 2]" 1
200 1 19 SER H 1 19 SER HB2 . . 3.320 2.617 2.156 3.086 . 0 0 "[ . 1 . 2]" 1
201 1 19 SER H 1 19 SER HB3 . . 3.320 2.577 2.143 3.079 . 0 0 "[ . 1 . 2]" 1
202 1 19 SER HB3 1 20 GLY H . . 4.410 4.085 3.639 4.428 0.018 15 0 "[ . 1 . 2]" 1
203 1 16 GLU HB2 1 17 CYS H . . 4.130 2.547 2.417 2.717 . 0 0 "[ . 1 . 2]" 1
204 1 16 GLU HG2 1 17 CYS H . . 4.760 4.373 3.872 4.737 . 0 0 "[ . 1 . 2]" 1
205 1 23 CYS H 1 23 CYS HB2 . . 3.640 2.172 2.081 2.391 . 0 0 "[ . 1 . 2]" 1
206 1 3 CYS HB2 1 4 LYS H . . 3.280 2.058 1.941 2.202 . 0 0 "[ . 1 . 2]" 1
207 1 21 TYR H 1 21 TYR QD . . 3.550 3.198 2.987 3.351 . 0 0 "[ . 1 . 2]" 1
208 1 18 CYS H 1 21 TYR QD . . 3.940 2.431 2.132 2.652 . 0 0 "[ . 1 . 2]" 1
209 1 30 CYS H 1 31 LYS H . . 4.650 4.582 4.557 4.612 . 0 0 "[ . 1 . 2]" 1
210 1 6 PHE H 1 6 PHE QD . . 5.320 4.166 4.130 4.228 . 0 0 "[ . 1 . 2]" 1
211 1 22 ALA H 1 31 LYS HB3 . . 5.210 5.182 5.176 5.185 . 0 0 "[ . 1 . 2]" 1
212 1 30 CYS H 1 31 LYS HG2 . . 5.500 5.389 5.249 5.522 0.022 20 0 "[ . 1 . 2]" 1
213 1 30 CYS H 1 31 LYS HB3 . . 5.410 5.233 5.106 5.341 . 0 0 "[ . 1 . 2]" 1
214 1 21 TYR HA 1 31 LYS H . . 5.330 3.935 3.777 4.116 . 0 0 "[ . 1 . 2]" 1
215 1 21 TYR HB2 1 33 LEU H . . 5.500 5.473 5.456 5.479 . 0 0 "[ . 1 . 2]" 1
216 1 11 VAL MG1 1 14 LYS H . . 4.180 3.625 3.478 3.704 . 0 0 "[ . 1 . 2]" 1
217 1 4 LYS HA 1 4 LYS HG2 . . 3.990 2.609 2.253 2.930 . 0 0 "[ . 1 . 2]" 1
218 1 4 LYS HA 1 4 LYS HG3 . . 3.990 3.648 3.252 3.837 . 0 0 "[ . 1 . 2]" 1
219 1 4 LYS HB2 1 4 LYS QE . . 4.870 4.042 3.174 4.493 . 0 0 "[ . 1 . 2]" 1
220 1 4 LYS HB3 1 4 LYS QE . . 4.550 3.329 1.996 4.057 . 0 0 "[ . 1 . 2]" 1
221 1 4 LYS QE 1 4 LYS HG2 . . 3.830 2.421 2.042 3.311 . 0 0 "[ . 1 . 2]" 1
222 1 8 LYS HA 1 8 LYS HG2 . . 4.160 2.715 2.572 3.000 . 0 0 "[ . 1 . 2]" 1
223 1 8 LYS HA 1 8 LYS QD . . 3.230 2.966 2.676 3.151 . 0 0 "[ . 1 . 2]" 1
224 1 4 LYS QE 1 8 LYS HB3 . . 4.960 3.549 1.954 4.424 . 0 0 "[ . 1 . 2]" 1
225 1 4 LYS HA 1 8 LYS HG3 . . 4.890 3.615 2.975 4.276 . 0 0 "[ . 1 . 2]" 1
226 1 4 LYS QE 1 8 LYS HG3 . . 5.310 4.431 3.018 5.280 . 0 0 "[ . 1 . 2]" 1
227 1 14 LYS HA 1 14 LYS HD2 . . 5.000 4.294 2.982 4.683 . 0 0 "[ . 1 . 2]" 1
228 1 10 CYS HB3 1 16 GLU HB2 . . 5.050 3.472 3.075 3.996 . 0 0 "[ . 1 . 2]" 1
229 1 14 LYS HA 1 14 LYS HD3 . . 5.000 4.337 3.735 4.513 . 0 0 "[ . 1 . 2]" 1
230 1 16 GLU HA 1 16 GLU HG2 . . 3.940 2.763 2.433 3.266 . 0 0 "[ . 1 . 2]" 1
231 1 16 GLU HA 1 16 GLU HG3 . . 3.940 3.695 3.429 3.851 . 0 0 "[ . 1 . 2]" 1
232 1 19 SER HA 1 20 GLY HA2 . . 4.470 4.438 4.424 4.452 . 0 0 "[ . 1 . 2]" 1
233 1 26 ARG HA 1 26 ARG HG2 . . 4.120 3.095 2.201 3.824 . 0 0 "[ . 1 . 2]" 1
234 1 26 ARG HA 1 26 ARG HG3 . . 4.120 2.996 2.207 3.828 . 0 0 "[ . 1 . 2]" 1
235 1 31 LYS HA 1 32 VAL MG2 . . 4.560 3.546 3.479 3.610 . 0 0 "[ . 1 . 2]" 1
236 1 31 LYS HB2 1 31 LYS HE2 . . 4.870 3.311 2.066 4.506 . 0 0 "[ . 1 . 2]" 1
237 1 31 LYS HA 1 31 LYS HG2 . . 4.230 3.825 3.756 3.935 . 0 0 "[ . 1 . 2]" 1
238 1 31 LYS HE2 1 31 LYS HG3 . . 4.230 2.871 2.235 4.239 0.009 16 0 "[ . 1 . 2]" 1
239 1 31 LYS HB2 1 31 LYS HE3 . . 4.870 3.345 2.146 4.393 . 0 0 "[ . 1 . 2]" 1
240 1 31 LYS HE3 1 31 LYS HG3 . . 4.230 3.067 2.100 3.671 . 0 0 "[ . 1 . 2]" 1
241 1 33 LEU HA 1 33 LEU MD2 . . 3.580 2.310 2.172 2.474 . 0 0 "[ . 1 . 2]" 1
242 1 4 LYS HA 1 5 GLY HA3 . . 4.510 4.393 4.376 4.411 . 0 0 "[ . 1 . 2]" 1
243 1 4 LYS HA 1 8 LYS HB2 . . 4.810 4.405 3.755 4.792 . 0 0 "[ . 1 . 2]" 1
244 1 4 LYS HB3 1 17 CYS HA . . 4.010 3.815 3.643 3.984 . 0 0 "[ . 1 . 2]" 1
245 1 4 LYS HB3 1 5 GLY H . . 4.540 2.726 2.058 3.518 . 0 0 "[ . 1 . 2]" 1
246 1 4 LYS H 1 4 LYS HB3 . . 3.750 3.719 3.669 3.780 0.030 2 0 "[ . 1 . 2]" 1
247 1 4 LYS HB2 1 5 GLY H . . 4.520 3.838 3.364 4.392 . 0 0 "[ . 1 . 2]" 1
248 1 5 GLY HA2 1 21 TYR QE . . 4.350 3.050 2.309 3.543 . 0 0 "[ . 1 . 2]" 1
249 1 5 GLY HA2 1 6 PHE H . . 3.440 2.754 2.583 2.920 . 0 0 "[ . 1 . 2]" 1
250 1 5 GLY HA2 1 18 CYS HB2 . . 4.380 3.363 3.061 3.886 . 0 0 "[ . 1 . 2]" 1
251 1 6 PHE HA 1 31 LYS HA . . 4.570 4.139 3.607 4.441 . 0 0 "[ . 1 . 2]" 1
252 1 6 PHE HA 1 21 TYR QD . . 5.010 4.505 4.178 4.798 . 0 0 "[ . 1 . 2]" 1
253 1 6 PHE HA 1 21 TYR QE . . 5.360 4.417 4.074 4.703 . 0 0 "[ . 1 . 2]" 1
254 1 6 PHE HA 1 6 PHE QD . . 3.570 2.874 2.447 3.020 . 0 0 "[ . 1 . 2]" 1
255 1 6 PHE HA 1 30 CYS HB3 . . 4.280 3.329 2.913 3.621 . 0 0 "[ . 1 . 2]" 1
256 1 6 PHE HA 1 30 CYS HB2 . . 4.260 2.819 2.513 3.042 . 0 0 "[ . 1 . 2]" 1
257 1 7 GLY HA2 1 29 TRP HE3 . . 4.640 2.133 1.995 2.212 . 0 0 "[ . 1 . 2]" 1
258 1 7 GLY HA3 1 29 TRP HE3 . . 3.950 3.882 3.750 3.960 0.010 20 0 "[ . 1 . 2]" 1
259 1 7 GLY HA3 1 29 TRP HZ3 . . 4.640 3.814 3.414 4.115 . 0 0 "[ . 1 . 2]" 1
260 1 12 PRO HD3 1 28 LYS HG2 . . 4.420 2.120 1.987 2.418 . 0 0 "[ . 1 . 2]" 1
261 1 11 VAL H 1 12 PRO HD3 . . 5.080 4.870 4.860 4.882 . 0 0 "[ . 1 . 2]" 1
262 1 12 PRO HD2 1 28 LYS HG2 . . 4.420 2.968 2.835 3.202 . 0 0 "[ . 1 . 2]" 1
263 1 11 VAL H 1 14 LYS HB2 . . 3.950 3.918 3.893 3.926 . 0 0 "[ . 1 . 2]" 1
264 1 12 PRO HG2 1 28 LYS QE . . 4.860 4.279 4.052 4.757 . 0 0 "[ . 1 . 2]" 1
265 1 11 VAL HA 1 12 PRO HG3 . . 4.880 4.336 4.335 4.337 . 0 0 "[ . 1 . 2]" 1
266 1 16 GLU H 1 16 GLU HG3 . . 4.000 3.285 2.448 3.831 . 0 0 "[ . 1 . 2]" 1
267 1 4 LYS HB2 1 17 CYS HA . . 3.550 2.144 1.986 2.293 . 0 0 "[ . 1 . 2]" 1
268 1 17 CYS HB3 1 18 CYS H . . 3.890 2.752 2.597 2.814 . 0 0 "[ . 1 . 2]" 1
269 1 17 CYS HB3 1 22 ALA HA . . 5.090 4.048 3.695 4.390 . 0 0 "[ . 1 . 2]" 1
270 1 17 CYS HB2 1 22 ALA HA . . 4.300 3.827 3.235 4.292 . 0 0 "[ . 1 . 2]" 1
271 1 18 CYS HB2 1 21 TYR QD . . 3.850 2.242 1.998 2.575 . 0 0 "[ . 1 . 2]" 1
272 1 20 GLY HA2 1 33 LEU MD1 . . 4.740 2.508 2.008 3.024 . 0 0 "[ . 1 . 2]" 1
273 1 21 TYR HA 1 33 LEU HG . . 4.430 3.150 2.909 3.318 . 0 0 "[ . 1 . 2]" 1
274 1 18 CYS H 1 21 TYR HB2 . . 4.030 2.981 2.764 3.270 . 0 0 "[ . 1 . 2]" 1
275 1 22 ALA MB 1 33 LEU MD2 . . 3.250 1.890 1.797 2.158 . 0 0 "[ . 1 . 2]" 1
276 1 22 ALA MB 1 33 LEU HA . . 4.500 2.944 2.718 3.144 . 0 0 "[ . 1 . 2]" 1
277 1 21 TYR HA 1 22 ALA MB . . 4.500 3.726 3.697 3.759 . 0 0 "[ . 1 . 2]" 1
278 1 9 SER QB 1 29 TRP HA . . 4.540 4.217 3.987 4.432 . 0 0 "[ . 1 . 2]" 1
279 1 9 SER HA 1 29 TRP HA . . 3.290 2.399 2.147 2.697 . 0 0 "[ . 1 . 2]" 1
280 1 29 TRP HA 1 29 TRP HD1 . . 4.170 4.029 3.907 4.049 . 0 0 "[ . 1 . 2]" 1
281 1 9 SER HA 1 29 TRP HB3 . . 3.750 3.290 2.993 3.523 . 0 0 "[ . 1 . 2]" 1
282 1 9 SER HA 1 29 TRP HB2 . . 4.120 3.327 2.989 3.540 . 0 0 "[ . 1 . 2]" 1
283 1 21 TYR HB2 1 30 CYS HB3 . . 3.920 3.790 3.650 3.918 . 0 0 "[ . 1 . 2]" 1
284 1 21 TYR QD 1 30 CYS HB3 . . 4.590 3.917 3.703 4.047 . 0 0 "[ . 1 . 2]" 1
285 1 17 CYS HB3 1 30 CYS HB3 . . 4.100 3.864 3.549 4.096 . 0 0 "[ . 1 . 2]" 1
286 1 32 VAL HA 1 32 VAL MG2 . . 3.290 2.403 2.353 2.441 . 0 0 "[ . 1 . 2]" 1
287 1 32 VAL HA 1 32 VAL MG1 . . 3.390 2.290 2.207 2.397 . 0 0 "[ . 1 . 2]" 1
288 1 21 TYR HA 1 32 VAL HA . . 3.350 2.572 2.400 2.669 . 0 0 "[ . 1 . 2]" 1
289 1 21 TYR QD 1 32 VAL HA . . 3.310 2.134 2.014 2.432 . 0 0 "[ . 1 . 2]" 1
290 1 21 TYR QD 1 32 VAL MG1 . . 4.550 3.820 3.646 4.127 . 0 0 "[ . 1 . 2]" 1
291 1 21 TYR QE 1 32 VAL MG1 . . 4.910 3.814 3.605 4.098 . 0 0 "[ . 1 . 2]" 1
292 1 12 PRO HG3 1 28 LYS HG3 . . 4.110 3.067 2.705 3.190 . 0 0 "[ . 1 . 2]" 1
293 1 12 PRO HG3 1 28 LYS HG2 . . 4.130 3.143 2.587 3.335 . 0 0 "[ . 1 . 2]" 1
294 1 12 PRO HG2 1 28 LYS HG3 . . 4.730 4.673 4.305 4.737 0.007 14 0 "[ . 1 . 2]" 1
295 1 28 LYS H 1 28 LYS HG3 . . 4.300 2.822 2.712 2.948 . 0 0 "[ . 1 . 2]" 1
296 1 12 PRO HG2 1 28 LYS HG2 . . 4.350 4.228 3.816 4.354 0.004 20 0 "[ . 1 . 2]" 1
297 1 10 CYS HB3 1 16 GLU HB3 . . 5.050 4.249 3.550 4.958 . 0 0 "[ . 1 . 2]" 1
298 1 4 LYS HB2 1 10 CYS HB3 . . 4.700 3.807 3.415 4.017 . 0 0 "[ . 1 . 2]" 1
299 1 4 LYS HD2 1 10 CYS HB3 . . 5.060 3.329 2.007 5.060 0.000 13 0 "[ . 1 . 2]" 1
300 1 4 LYS HD3 1 10 CYS HB3 . . 5.060 3.811 2.320 5.032 . 0 0 "[ . 1 . 2]" 1
301 1 4 LYS HB2 1 10 CYS HB2 . . 5.370 4.757 4.323 5.042 . 0 0 "[ . 1 . 2]" 1
302 1 10 CYS HB3 1 11 VAL H . . 3.880 3.788 3.768 3.834 . 0 0 "[ . 1 . 2]" 1
303 1 22 ALA MB 1 24 ASN HB2 . . 4.410 4.306 3.849 4.398 . 0 0 "[ . 1 . 2]" 1
304 1 21 TYR HB3 1 22 ALA MB . . 4.490 4.442 4.359 4.488 . 0 0 "[ . 1 . 2]" 1
305 1 25 SER HA 1 28 LYS H . . 5.140 3.051 3.031 3.122 . 0 0 "[ . 1 . 2]" 1
306 1 12 PRO HG2 1 25 SER HA . . 4.190 4.188 4.158 4.196 0.006 5 0 "[ . 1 . 2]" 1
307 1 25 SER HA 1 28 LYS HG2 . . 4.360 4.025 3.678 4.361 0.001 19 0 "[ . 1 . 2]" 1
308 1 24 ASN HB3 1 27 ASP HB2 . . 4.710 4.463 3.562 4.650 . 0 0 "[ . 1 . 2]" 1
309 1 27 ASP H 1 27 ASP HB2 . . 3.750 2.571 2.226 2.673 . 0 0 "[ . 1 . 2]" 1
310 1 24 ASN HB3 1 27 ASP HB3 . . 4.710 4.370 4.170 4.697 . 0 0 "[ . 1 . 2]" 1
311 1 27 ASP H 1 27 ASP HB3 . . 3.750 3.027 2.888 3.338 . 0 0 "[ . 1 . 2]" 1
312 1 12 PRO HG3 1 28 LYS HA . . 4.430 3.994 3.771 4.114 . 0 0 "[ . 1 . 2]" 1
313 1 28 LYS HB2 1 28 LYS QE . . 4.100 3.821 3.171 4.020 . 0 0 "[ . 1 . 2]" 1
314 1 12 PRO HG3 1 28 LYS QE . . 3.770 3.448 3.185 3.764 . 0 0 "[ . 1 . 2]" 1
315 1 11 VAL HA 1 12 PRO HD3 . . 3.170 2.255 2.254 2.256 . 0 0 "[ . 1 . 2]" 1
316 1 11 VAL HA 1 12 PRO HD2 . . 3.170 2.108 2.107 2.109 . 0 0 "[ . 1 . 2]" 1
317 1 11 VAL HA 1 12 PRO HG2 . . 4.880 4.285 4.284 4.286 . 0 0 "[ . 1 . 2]" 1
318 1 19 SER HB2 1 20 GLY H . . 4.410 4.147 3.848 4.423 0.013 3 0 "[ . 1 . 2]" 1
319 1 32 VAL MG2 1 33 LEU H . . 4.200 4.136 4.081 4.197 . 0 0 "[ . 1 . 2]" 1
320 1 6 PHE QE 1 32 VAL MG2 . . 4.310 3.431 2.738 3.849 . 0 0 "[ . 1 . 2]" 1
321 1 3 CYS HB2 1 18 CYS HA . . 3.380 2.183 2.055 2.474 . 0 0 "[ . 1 . 2]" 1
322 1 3 CYS HB2 1 18 CYS H . . 4.130 3.140 3.006 3.195 . 0 0 "[ . 1 . 2]" 1
323 1 3 CYS HB3 1 18 CYS HA . . 4.040 2.785 2.668 2.979 . 0 0 "[ . 1 . 2]" 1
324 1 3 CYS HB2 1 17 CYS HA . . 4.910 3.755 3.676 3.947 . 0 0 "[ . 1 . 2]" 1
325 1 12 PRO HG3 1 25 SER HA . . 3.810 2.640 2.586 2.695 . 0 0 "[ . 1 . 2]" 1
326 1 20 GLY HA3 1 21 TYR QD . . 5.010 4.723 4.636 4.812 . 0 0 "[ . 1 . 2]" 1
327 1 12 PRO HG3 1 28 LYS HB3 . . 5.280 5.105 4.640 5.282 0.002 5 0 "[ . 1 . 2]" 1
328 1 6 PHE QE 1 31 LYS HA . . 4.920 2.630 2.013 3.127 . 0 0 "[ . 1 . 2]" 1
329 1 10 CYS H 1 29 TRP HB3 . . 4.890 4.143 3.701 4.342 . 0 0 "[ . 1 . 2]" 1
330 1 33 LEU HA 1 33 LEU MD1 . . 3.920 3.849 3.829 3.863 . 0 0 "[ . 1 . 2]" 1
331 1 4 LYS HA 1 4 LYS QE . . 5.110 3.496 2.060 4.511 . 0 0 "[ . 1 . 2]" 1
332 1 4 LYS QE 1 4 LYS HG3 . . 3.830 2.912 2.244 3.393 . 0 0 "[ . 1 . 2]" 1
333 1 28 LYS HA 1 28 LYS HG2 . . 3.660 2.884 2.787 3.239 . 0 0 "[ . 1 . 2]" 1
334 1 8 LYS H 1 30 CYS HB3 . . 4.930 4.517 4.311 4.662 . 0 0 "[ . 1 . 2]" 1
335 1 4 LYS HB2 1 18 CYS HB2 . . 5.360 5.123 4.881 5.325 . 0 0 "[ . 1 . 2]" 1
336 1 24 ASN HB2 1 31 LYS HG3 . . 4.280 3.514 3.424 3.858 . 0 0 "[ . 1 . 2]" 1
337 1 22 ALA MB 1 31 LYS HG3 . . 3.750 2.875 2.771 3.086 . 0 0 "[ . 1 . 2]" 1
338 1 33 LEU MD2 1 34 LEU H . . 4.240 3.091 2.832 3.281 . 0 0 "[ . 1 . 2]" 1
339 1 11 VAL HA 1 11 VAL MG1 . . 3.200 2.404 2.402 2.406 . 0 0 "[ . 1 . 2]" 1
340 1 11 VAL MG1 1 12 PRO HD2 . . 3.810 1.896 1.894 1.897 . 0 0 "[ . 1 . 2]" 1
341 1 11 VAL MG1 1 14 LYS HE3 . . 4.660 3.510 2.122 4.662 0.002 2 0 "[ . 1 . 2]" 1
342 1 11 VAL MG2 1 14 LYS HE2 . . 4.800 3.883 3.036 4.786 . 0 0 "[ . 1 . 2]" 1
343 1 11 VAL MG2 1 12 PRO HD2 . . 4.470 3.465 3.427 3.512 . 0 0 "[ . 1 . 2]" 1
344 1 11 VAL MG2 1 12 PRO HD3 . . 4.470 4.175 4.150 4.211 . 0 0 "[ . 1 . 2]" 1
345 1 11 VAL HA 1 11 VAL MG2 . . 3.070 2.358 2.303 2.441 . 0 0 "[ . 1 . 2]" 1
346 1 10 CYS HA 1 11 VAL MG2 . . 4.320 3.463 3.337 3.573 . 0 0 "[ . 1 . 2]" 1
347 1 11 VAL MG1 1 12 PRO HD3 . . 3.810 3.289 3.288 3.290 . 0 0 "[ . 1 . 2]" 1
348 1 11 VAL MG2 1 14 LYS HE3 . . 4.800 3.996 3.214 4.793 . 0 0 "[ . 1 . 2]" 1
349 1 11 VAL MG1 1 14 LYS HE2 . . 4.660 3.492 2.006 4.244 . 0 0 "[ . 1 . 2]" 1
350 1 6 PHE QD 1 21 TYR QD . . 4.240 3.643 3.252 4.040 . 0 0 "[ . 1 . 2]" 1
351 1 6 PHE QD 1 21 TYR QE . . 4.530 3.454 2.887 3.740 . 0 0 "[ . 1 . 2]" 1
352 1 21 TYR QE 1 32 VAL MG2 . . 3.290 1.998 1.883 2.190 . 0 0 "[ . 1 . 2]" 1
353 1 18 CYS HB2 1 21 TYR QE . . 3.720 2.938 2.582 3.370 . 0 0 "[ . 1 . 2]" 1
354 1 18 CYS HB3 1 21 TYR QE . . 4.200 3.046 2.794 3.497 . 0 0 "[ . 1 . 2]" 1
355 1 21 TYR QE 1 32 VAL HA . . 3.900 3.461 3.360 3.580 . 0 0 "[ . 1 . 2]" 1
356 1 21 TYR QE 1 31 LYS HA . . 4.890 4.781 4.457 4.888 . 0 0 "[ . 1 . 2]" 1
357 1 21 TYR HA 1 21 TYR QE . . 4.500 4.416 4.337 4.503 0.003 15 0 "[ . 1 . 2]" 1
358 1 21 TYR H 1 21 TYR QE . . 4.860 4.792 4.679 4.860 . 0 0 "[ . 1 . 2]" 1
359 1 21 TYR QE 1 32 VAL H . . 4.880 4.215 3.871 4.473 . 0 0 "[ . 1 . 2]" 1
360 1 21 TYR HA 1 21 TYR QD . . 3.770 2.287 2.098 2.511 . 0 0 "[ . 1 . 2]" 1
361 1 21 TYR QD 1 31 LYS HA . . 4.050 3.741 3.429 3.874 . 0 0 "[ . 1 . 2]" 1
362 1 18 CYS HB3 1 21 TYR QD . . 3.770 2.545 2.173 2.919 . 0 0 "[ . 1 . 2]" 1
363 1 17 CYS HB3 1 21 TYR QD . . 3.750 3.724 3.699 3.744 . 0 0 "[ . 1 . 2]" 1
364 1 21 TYR QD 1 32 VAL MG2 . . 3.590 2.668 2.422 2.905 . 0 0 "[ . 1 . 2]" 1
365 1 29 TRP HB3 1 29 TRP HD1 . . 3.560 3.125 3.099 3.283 . 0 0 "[ . 1 . 2]" 1
366 1 29 TRP HD1 1 31 LYS HG2 . . 4.820 4.771 4.034 4.815 . 0 0 "[ . 1 . 2]" 1
367 1 29 TRP HD1 1 30 CYS HA . . 5.200 5.180 4.773 5.204 0.004 13 0 "[ . 1 . 2]" 1
368 1 29 TRP HB3 1 29 TRP HE3 . . 4.120 3.651 3.452 3.681 . 0 0 "[ . 1 . 2]" 1
369 1 6 PHE QD 1 31 LYS HA . . 4.700 2.288 2.001 2.915 . 0 0 "[ . 1 . 2]" 1
370 1 18 CYS H 1 21 TYR QE . . 5.150 4.300 4.026 4.496 . 0 0 "[ . 1 . 2]" 1
371 1 6 PHE QD 1 32 VAL MG2 . . 4.200 2.849 2.286 3.459 . 0 0 "[ . 1 . 2]" 1
372 1 2 GLU QB 1 3 CYS H . . 3.570 2.713 2.186 3.566 . 0 0 "[ . 1 . 2]" 1
373 1 4 LYS HA 1 4 LYS QG . . 3.360 2.554 2.218 2.839 . 0 0 "[ . 1 . 2]" 1
374 1 4 LYS HA 1 4 LYS QD . . 3.950 3.161 2.137 3.920 . 0 0 "[ . 1 . 2]" 1
375 1 4 LYS QE 1 4 LYS QG . . 3.310 2.190 2.021 2.367 . 0 0 "[ . 1 . 2]" 1
376 1 4 LYS QG 1 17 CYS HA . . 4.710 3.562 3.355 3.925 . 0 0 "[ . 1 . 2]" 1
377 1 4 LYS QD 1 9 SER H . . 5.340 4.272 3.753 5.339 . 0 0 "[ . 1 . 2]" 1
378 1 4 LYS QD 1 10 CYS HA . . 4.730 3.872 3.019 4.715 . 0 0 "[ . 1 . 2]" 1
379 1 4 LYS QD 1 10 CYS HB2 . . 5.340 3.897 2.552 4.934 . 0 0 "[ . 1 . 2]" 1
380 1 4 LYS QD 1 10 CYS HB3 . . 4.450 3.032 1.990 4.264 . 0 0 "[ . 1 . 2]" 1
381 1 6 PHE QB 1 7 GLY H . . 4.480 3.672 3.503 3.812 . 0 0 "[ . 1 . 2]" 1
382 1 6 PHE QB 1 21 TYR QE . . 3.340 2.768 2.319 3.159 . 0 0 "[ . 1 . 2]" 1
383 1 8 LYS H 1 8 LYS QE . . 4.180 3.967 3.396 4.205 0.025 15 0 "[ . 1 . 2]" 1
384 1 8 LYS HB3 1 8 LYS QE . . 3.930 3.224 3.030 3.581 . 0 0 "[ . 1 . 2]" 1
385 1 8 LYS QE 1 9 SER H . . 4.640 3.347 2.716 4.422 . 0 0 "[ . 1 . 2]" 1
386 1 10 CYS HB2 1 16 GLU QB . . 3.850 2.507 2.147 3.058 . 0 0 "[ . 1 . 2]" 1
387 1 10 CYS HB3 1 16 GLU QB . . 4.280 3.321 2.900 3.838 . 0 0 "[ . 1 . 2]" 1
388 1 11 VAL H 1 14 LYS QD . . 5.010 3.992 3.589 4.519 . 0 0 "[ . 1 . 2]" 1
389 1 11 VAL HA 1 12 PRO QD . . 2.750 1.936 1.935 1.936 . 0 0 "[ . 1 . 2]" 1
390 1 11 VAL HA 1 14 LYS QD . . 5.000 4.736 4.413 5.002 0.002 10 0 "[ . 1 . 2]" 1
391 1 11 VAL MG1 1 12 PRO QD . . 3.240 1.884 1.883 1.885 . 0 0 "[ . 1 . 2]" 1
392 1 11 VAL MG1 1 14 LYS QE . . 3.960 2.894 1.951 3.744 . 0 0 "[ . 1 . 2]" 1
393 1 11 VAL MG2 1 12 PRO QD . . 3.910 3.305 3.280 3.345 . 0 0 "[ . 1 . 2]" 1
394 1 11 VAL MG2 1 14 LYS QE . . 4.140 3.334 2.905 3.965 . 0 0 "[ . 1 . 2]" 1
395 1 12 PRO HA 1 23 CYS QB . . 3.330 2.361 1.966 3.256 . 0 0 "[ . 1 . 2]" 1
396 1 12 PRO QB 1 14 LYS H . . 5.300 4.775 4.764 4.797 . 0 0 "[ . 1 . 2]" 1
397 1 12 PRO QB 1 25 SER HA . . 4.390 2.053 1.975 2.170 . 0 0 "[ . 1 . 2]" 1
398 1 12 PRO HG2 1 25 SER QB . . 4.690 3.594 3.296 4.072 . 0 0 "[ . 1 . 2]" 1
399 1 12 PRO HG3 1 25 SER QB . . 4.250 2.677 2.251 3.357 . 0 0 "[ . 1 . 2]" 1
400 1 12 PRO QD 1 28 LYS HB3 . . 4.210 3.378 3.015 3.539 . 0 0 "[ . 1 . 2]" 1
401 1 12 PRO QD 1 28 LYS HG2 . . 3.770 2.075 1.952 2.342 . 0 0 "[ . 1 . 2]" 1
402 1 12 PRO QD 1 28 LYS QD . . 4.650 3.923 3.638 4.172 . 0 0 "[ . 1 . 2]" 1
403 1 12 PRO QD 1 28 LYS QE . . 4.800 3.372 2.898 3.943 . 0 0 "[ . 1 . 2]" 1
404 1 13 GLY H 1 23 CYS QB . . 4.950 3.013 2.767 3.627 . 0 0 "[ . 1 . 2]" 1
405 1 14 LYS H 1 14 LYS QG . . 3.740 3.142 2.716 3.650 . 0 0 "[ . 1 . 2]" 1
406 1 14 LYS H 1 14 LYS QD . . 4.740 3.534 2.304 4.118 . 0 0 "[ . 1 . 2]" 1
407 1 14 LYS HA 1 14 LYS QG . . 3.630 2.315 2.204 2.418 . 0 0 "[ . 1 . 2]" 1
408 1 14 LYS HA 1 14 LYS QD . . 4.300 3.809 2.869 4.045 . 0 0 "[ . 1 . 2]" 1
409 1 14 LYS HB2 1 14 LYS QD . . 3.610 2.269 2.132 2.442 . 0 0 "[ . 1 . 2]" 1
410 1 14 LYS HB2 1 16 GLU QG . . 3.930 2.875 2.385 3.257 . 0 0 "[ . 1 . 2]" 1
411 1 15 ASN H 1 15 ASN QB . . 3.400 2.567 2.266 3.103 . 0 0 "[ . 1 . 2]" 1
412 1 15 ASN QB 1 16 GLU H . . 4.130 3.932 3.894 4.042 . 0 0 "[ . 1 . 2]" 1
413 1 16 GLU H 1 16 GLU QB . . 3.300 2.552 2.422 2.633 . 0 0 "[ . 1 . 2]" 1
414 1 16 GLU H 1 16 GLU QG . . 3.170 2.532 2.266 2.792 . 0 0 "[ . 1 . 2]" 1
415 1 16 GLU HA 1 16 GLU QG . . 3.380 2.687 2.388 3.099 . 0 0 "[ . 1 . 2]" 1
416 1 16 GLU QB 1 17 CYS H . . 3.560 2.506 2.384 2.663 . 0 0 "[ . 1 . 2]" 1
417 1 16 GLU QG 1 17 CYS H . . 4.100 3.857 3.685 4.021 . 0 0 "[ . 1 . 2]" 1
418 1 19 SER H 1 19 SER QB . . 2.830 2.148 2.103 2.220 . 0 0 "[ . 1 . 2]" 1
419 1 19 SER QB 1 20 GLY H . . 3.880 3.608 3.476 3.689 . 0 0 "[ . 1 . 2]" 1
420 1 22 ALA MB 1 23 CYS QB . . 5.140 4.445 4.328 4.626 . 0 0 "[ . 1 . 2]" 1
421 1 24 ASN HA 1 24 ASN QD . . 4.270 3.637 1.919 3.989 . 0 0 "[ . 1 . 2]" 1
422 1 24 ASN HB2 1 24 ASN QD . . 3.470 2.599 2.263 3.012 . 0 0 "[ . 1 . 2]" 1
423 1 24 ASN HB2 1 31 LYS QD . . 4.220 2.380 2.039 3.032 . 0 0 "[ . 1 . 2]" 1
424 1 24 ASN HB3 1 26 ARG QB . . 4.510 3.414 3.159 3.594 . 0 0 "[ . 1 . 2]" 1
425 1 24 ASN HB3 1 27 ASP QB . . 4.140 3.908 3.456 3.996 . 0 0 "[ . 1 . 2]" 1
426 1 24 ASN HB3 1 31 LYS QD . . 4.320 3.652 3.230 4.307 . 0 0 "[ . 1 . 2]" 1
427 1 24 ASN QD 1 26 ARG QB . . 4.790 2.761 1.947 3.961 . 0 0 "[ . 1 . 2]" 1
428 1 24 ASN QD 1 31 LYS QD . . 4.460 2.560 1.891 3.894 . 0 0 "[ . 1 . 2]" 1
429 1 24 ASN QD 1 31 LYS QE . . 4.640 3.470 1.908 4.357 . 0 0 "[ . 1 . 2]" 1
430 1 25 SER QB 1 26 ARG H . . 3.670 3.356 3.002 3.659 . 0 0 "[ . 1 . 2]" 1
431 1 26 ARG H 1 26 ARG QB . . 2.910 2.248 2.130 2.555 . 0 0 "[ . 1 . 2]" 1
432 1 26 ARG H 1 26 ARG QG . . 4.160 3.395 1.963 4.080 . 0 0 "[ . 1 . 2]" 1
433 1 26 ARG HA 1 26 ARG QG . . 3.540 2.516 2.180 2.904 . 0 0 "[ . 1 . 2]" 1
434 1 26 ARG QB 1 26 ARG QD . . 3.310 2.272 2.085 2.859 . 0 0 "[ . 1 . 2]" 1
435 1 26 ARG QB 1 27 ASP H . . 3.530 2.206 2.125 2.343 . 0 0 "[ . 1 . 2]" 1
436 1 26 ARG QB 1 28 LYS H . . 5.180 4.025 3.983 4.050 . 0 0 "[ . 1 . 2]" 1
437 1 27 ASP QB 1 29 TRP HE1 . . 4.000 3.081 2.563 3.208 . 0 0 "[ . 1 . 2]" 1
438 1 31 LYS HB2 1 31 LYS QE . . 4.230 2.725 2.050 3.591 . 0 0 "[ . 1 . 2]" 1
439 1 31 LYS QD 1 32 VAL H . . 4.810 4.638 4.157 4.816 0.006 14 0 "[ . 1 . 2]" 1
440 1 31 LYS QE 1 32 VAL H . . 5.340 4.415 3.514 5.326 . 0 0 "[ . 1 . 2]" 1
441 1 33 LEU H 1 33 LEU QB . . 3.100 2.276 2.217 2.319 . 0 0 "[ . 1 . 2]" 1
442 1 34 LEU H 1 34 LEU QD . . 4.340 3.197 1.939 3.908 . 0 0 "[ . 1 . 2]" 1
443 1 34 LEU HA 1 34 LEU QD . . 3.660 2.617 1.974 3.420 . 0 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 9
_Distance_constraint_stats_list.Viol_count 179
_Distance_constraint_stats_list.Viol_total 1002.408
_Distance_constraint_stats_list.Viol_max 0.601
_Distance_constraint_stats_list.Viol_rms 0.2252
_Distance_constraint_stats_list.Viol_average_all_restraints 0.2784
_Distance_constraint_stats_list.Viol_average_violations_only 0.2800
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 3 CYS 13.042 0.600 18 7 "[ *.-* ** * . + 2]"
1 10 CYS 21.885 0.601 17 17 "[****** - *** ***+***]"
1 17 CYS 15.194 0.584 11 13 "[ *-*.** **+ * . ****]"
1 18 CYS 13.042 0.600 18 7 "[ *.-* ** * . + 2]"
1 23 CYS 21.885 0.601 17 17 "[****** - *** ***+***]"
1 30 CYS 15.194 0.584 11 13 "[ *-*.** **+ * . ****]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 3 CYS SG 1 18 CYS SG . . 1.980 2.009 1.980 2.113 0.133 9 0 "[ . 1 . 2]" 2
2 1 3 CYS SG 1 18 CYS CB . . 2.900 3.321 3.092 3.500 0.600 18 7 "[ *.-* ** * . + 2]" 2
3 1 3 CYS CB 1 18 CYS SG . . 2.900 3.102 2.911 3.327 0.427 3 0 "[ . 1 . 2]" 2
4 1 10 CYS SG 1 23 CYS SG . . 1.980 2.047 1.984 2.098 0.118 9 0 "[ . 1 . 2]" 2
5 1 10 CYS SG 1 23 CYS CB . . 2.900 3.465 3.353 3.501 0.601 17 17 "[****** - *** ***+***]" 2
6 1 10 CYS CB 1 23 CYS SG . . 2.900 3.362 3.121 3.497 0.597 14 8 "[- *** ** +. *]" 2
7 1 17 CYS SG 1 30 CYS SG . . 1.980 2.023 1.981 2.111 0.131 11 0 "[ . 1 . 2]" 2
8 1 17 CYS SG 1 30 CYS CB . . 2.900 3.086 2.901 3.389 0.489 1 0 "[ . 1 . 2]" 2
9 1 17 CYS CB 1 30 CYS SG . . 2.900 3.430 3.346 3.484 0.584 11 13 "[ *-*.** **+ * . ****]" 2
stop_
save_