Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
439448 | 2k6r RC | 15879 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2k6r
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 298
_Distance_constraint_stats_list.Viol_count 1393
_Distance_constraint_stats_list.Viol_total 2978.029
_Distance_constraint_stats_list.Viol_max 0.363
_Distance_constraint_stats_list.Viol_rms 0.0618
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0250
_Distance_constraint_stats_list.Viol_average_violations_only 0.1069
_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 3 GLN 1.387 0.163 6 0 "[ . 1 . 2]"
1 4 TYR 8.020 0.251 13 0 "[ . 1 . 2]"
1 5 THR 4.621 0.160 10 0 "[ . 1 . 2]"
1 6 ALA 5.343 0.191 11 0 "[ . 1 . 2]"
1 7 NAL 3.704 0.181 19 0 "[ . 1 . 2]"
1 8 ILE 12.433 0.290 18 0 "[ . 1 . 2]"
1 9 LYS 10.400 0.350 15 0 "[ . 1 . 2]"
1 10 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 ARG 0.765 0.092 19 0 "[ . 1 . 2]"
1 12 THR 10.602 0.363 18 0 "[ . 1 . 2]"
1 13 PHE 22.520 0.350 1 0 "[ . 1 . 2]"
1 14 ARG 1.758 0.102 20 0 "[ . 1 . 2]"
1 15 ASN 11.803 0.281 12 0 "[ . 1 . 2]"
1 16 GLU 11.884 0.281 12 0 "[ . 1 . 2]"
1 17 LYS 8.213 0.229 3 0 "[ . 1 . 2]"
1 18 GLU 13.653 0.270 20 0 "[ . 1 . 2]"
1 19 LEU 25.194 0.350 1 0 "[ . 1 . 2]"
1 20 ARG 2.787 0.097 15 0 "[ . 1 . 2]"
1 21 ASP 18.676 0.330 10 0 "[ . 1 . 2]"
1 22 PHE 19.180 0.229 12 0 "[ . 1 . 2]"
1 23 ILE 19.899 0.330 10 0 "[ . 1 . 2]"
1 24 GLU 19.990 0.252 11 0 "[ . 1 . 2]"
1 25 LYS 0.749 0.051 9 0 "[ . 1 . 2]"
1 26 PHE 4.534 0.167 16 0 "[ . 1 . 2]"
1 28 GLY 0.553 0.077 10 0 "[ . 1 . 2]"
1 29 ARG 1.338 0.130 19 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 4 TYR H 1 4 TYR HA 2.000 . 2.600 2.832 2.821 2.851 0.251 13 0 "[ . 1 . 2]" 1
2 1 5 THR HA 1 5 THR MG 2.000 . 2.600 2.483 2.337 2.549 . 0 0 "[ . 1 . 2]" 1
3 1 6 ALA HA 1 6 ALA MB 2.000 . 2.600 2.157 2.152 2.162 . 0 0 "[ . 1 . 2]" 1
4 1 6 ALA H 1 6 ALA MB 2.000 . 2.600 2.355 2.286 2.451 . 0 0 "[ . 1 . 2]" 1
5 1 8 ILE HA 1 8 ILE HB 2.000 . 2.600 2.696 2.681 2.709 0.109 12 0 "[ . 1 . 2]" 1
6 1 8 ILE HA 1 8 ILE MG 2.000 . 2.600 2.228 2.221 2.232 . 0 0 "[ . 1 . 2]" 1
7 1 8 ILE HB 1 8 ILE MG 2.000 . 2.600 2.151 2.149 2.154 . 0 0 "[ . 1 . 2]" 1
8 1 9 LYS H 1 9 LYS HA 2.000 . 2.600 2.929 2.885 2.950 0.350 15 0 "[ . 1 . 2]" 1
9 1 10 GLY H 1 10 GLY QA 2.000 . 2.600 2.271 2.243 2.316 . 0 0 "[ . 1 . 2]" 1
10 1 11 ARG HA 1 11 ARG QB 2.000 . 2.600 2.364 2.342 2.486 . 0 0 "[ . 1 . 2]" 1
11 1 12 THR HA 1 12 THR MG 2.000 . 2.600 2.196 2.183 2.208 . 0 0 "[ . 1 . 2]" 1
12 1 12 THR H 1 12 THR HA 2.000 . 2.600 2.953 2.938 2.963 0.363 18 0 "[ . 1 . 2]" 1
13 1 12 THR HB 1 12 THR MG 2.000 . 2.600 2.150 2.146 2.154 . 0 0 "[ . 1 . 2]" 1
14 1 13 PHE QB 1 13 PHE QD . 2.100 2.600 2.164 2.157 2.173 . 0 0 "[ . 1 . 2]" 1
15 1 14 ARG H 1 15 ASN H 2.000 . 2.600 2.453 2.167 2.618 0.018 11 0 "[ . 1 . 2]" 1
16 1 15 ASN HA 1 15 ASN QB . 2.100 2.600 2.197 2.190 2.228 . 0 0 "[ . 1 . 2]" 1
17 1 15 ASN QB 1 15 ASN QD . 2.100 2.600 2.246 2.174 2.291 . 0 0 "[ . 1 . 2]" 1
18 1 16 GLU H 1 16 GLU QB 2.000 . 2.600 2.323 2.189 2.432 . 0 0 "[ . 1 . 2]" 1
19 1 16 GLU HA 1 16 GLU QB 2.000 . 2.600 2.404 2.337 2.486 . 0 0 "[ . 1 . 2]" 1
20 1 16 GLU HA 1 16 GLU QG 2.000 . 2.600 2.394 2.321 2.673 0.073 10 0 "[ . 1 . 2]" 1
21 1 17 LYS HA 1 17 LYS QB 2.000 . 2.600 2.456 2.352 2.582 . 0 0 "[ . 1 . 2]" 1
22 1 17 LYS H 1 17 LYS HA 2.000 . 2.600 2.801 2.786 2.829 0.229 3 0 "[ . 1 . 2]" 1
23 1 17 LYS QB 1 17 LYS QG 2.000 . 2.600 2.094 2.030 2.115 . 0 0 "[ . 1 . 2]" 1
24 1 17 LYS H 1 17 LYS QB 2.000 . 2.600 2.194 2.093 2.241 . 0 0 "[ . 1 . 2]" 1
25 1 17 LYS QB 1 18 GLU H 2.000 . 2.600 2.439 2.331 2.623 0.023 10 0 "[ . 1 . 2]" 1
26 1 18 GLU H 1 18 GLU HA 2.000 . 2.600 2.848 2.795 2.870 0.270 20 0 "[ . 1 . 2]" 1
27 1 19 LEU HA 1 19 LEU QD 2.000 . 2.600 2.280 2.244 2.317 . 0 0 "[ . 1 . 2]" 1
28 1 19 LEU QB 1 19 LEU HG 2.000 . 2.600 2.411 2.373 2.463 . 0 0 "[ . 1 . 2]" 1
29 1 19 LEU H 1 19 LEU QB . 2.100 2.600 2.212 2.170 2.240 . 0 0 "[ . 1 . 2]" 1
30 1 19 LEU QB 1 19 LEU QD 2.000 . 2.600 1.945 1.927 1.953 . 0 0 "[ . 1 . 2]" 1
31 1 13 PHE QD 1 19 LEU QD . 2.400 2.600 2.501 2.379 2.721 0.121 1 0 "[ . 1 . 2]" 1
32 1 18 GLU H 1 19 LEU H 2.000 . 2.600 2.607 2.569 2.652 0.052 7 0 "[ . 1 . 2]" 1
33 1 19 LEU H 1 20 ARG H 2.000 . 2.600 2.517 2.423 2.566 . 0 0 "[ . 1 . 2]" 1
34 1 19 LEU QD 1 19 LEU HG 2.000 . 2.600 1.906 1.900 1.909 . 0 0 "[ . 1 . 2]" 1
35 1 20 ARG H 1 20 ARG QB 2.000 . 2.600 2.264 2.154 2.371 . 0 0 "[ . 1 . 2]" 1
36 1 20 ARG QB 1 21 ASP H 2.000 . 2.600 2.563 2.518 2.593 . 0 0 "[ . 1 . 2]" 1
37 1 20 ARG H 1 21 ASP H 2.000 . 2.600 2.596 2.557 2.659 0.059 9 0 "[ . 1 . 2]" 1
38 1 21 ASP HA 1 21 ASP QB . 2.100 2.600 2.381 2.355 2.398 . 0 0 "[ . 1 . 2]" 1
39 1 21 ASP H 1 21 ASP HA 2.000 . 2.600 2.871 2.869 2.876 0.276 9 0 "[ . 1 . 2]" 1
40 1 21 ASP H 1 21 ASP QB 2.000 . 2.600 2.347 2.285 2.394 . 0 0 "[ . 1 . 2]" 1
41 1 22 PHE HA 1 22 PHE QD 2.000 . 2.600 2.613 2.541 2.655 0.055 15 0 "[ . 1 . 2]" 1
42 1 22 PHE H 1 22 PHE HA 2.000 . 2.600 2.824 2.814 2.829 0.229 12 0 "[ . 1 . 2]" 1
43 1 22 PHE QB 1 22 PHE QD 2.000 . 2.600 2.226 2.219 2.232 . 0 0 "[ . 1 . 2]" 1
44 1 22 PHE H 1 22 PHE QB 2.000 . 2.600 2.206 2.187 2.235 . 0 0 "[ . 1 . 2]" 1
45 1 21 ASP H 1 22 PHE H 2.000 . 2.600 2.651 2.640 2.670 0.070 20 0 "[ . 1 . 2]" 1
46 1 23 ILE HA 1 23 ILE QG 2.000 . 2.600 2.238 2.225 2.255 . 0 0 "[ . 1 . 2]" 1
47 1 23 ILE HB 1 23 ILE MD 2.000 . 2.600 2.379 2.358 2.405 . 0 0 "[ . 1 . 2]" 1
48 1 23 ILE H 1 23 ILE HB 2.000 . 2.600 2.138 2.132 2.146 . 0 0 "[ . 1 . 2]" 1
49 1 23 ILE HB 1 24 GLU H 2.000 . 2.600 2.826 2.807 2.835 0.235 6 0 "[ . 1 . 2]" 1
50 1 19 LEU HG 1 23 ILE QG 2.000 . 2.600 2.546 2.364 2.661 0.061 19 0 "[ . 1 . 2]" 1
51 1 23 ILE MD 1 23 ILE QG 2.000 . 2.600 1.909 1.900 1.912 . 0 0 "[ . 1 . 2]" 1
52 1 23 ILE QG 1 23 ILE MG . 2.100 2.600 2.358 2.329 2.380 . 0 0 "[ . 1 . 2]" 1
53 1 24 GLU H 1 24 GLU HA 2.000 . 2.600 2.844 2.821 2.852 0.252 11 0 "[ . 1 . 2]" 1
54 1 24 GLU H 1 24 GLU QB 2.000 . 2.600 2.456 2.145 2.503 . 0 0 "[ . 1 . 2]" 1
55 1 25 LYS HA 1 25 LYS QB . 2.100 2.600 2.412 2.338 2.504 . 0 0 "[ . 1 . 2]" 1
56 1 24 GLU H 1 25 LYS H 2.000 . 2.600 2.610 2.569 2.651 0.051 9 0 "[ . 1 . 2]" 1
57 1 26 PHE HA 1 26 PHE QD 2.000 . 2.600 2.286 2.274 2.308 . 0 0 "[ . 1 . 2]" 1
58 1 26 PHE QB 1 26 PHE QD 2.000 . 2.600 2.249 2.234 2.258 . 0 0 "[ . 1 . 2]" 1
59 1 28 GLY H 1 29 ARG H 2.000 . 2.600 2.480 2.058 2.641 0.041 19 0 "[ . 1 . 2]" 1
60 1 28 GLY QA 1 29 ARG H 2.000 . 2.600 2.588 2.483 2.677 0.077 10 0 "[ . 1 . 2]" 1
61 1 4 TYR HA 1 4 TYR QB 3.000 2.100 3.900 2.227 2.200 2.275 . 0 0 "[ . 1 . 2]" 1
62 1 4 TYR QB 1 4 TYR QD 3.000 2.100 3.900 2.195 2.158 2.227 . 0 0 "[ . 1 . 2]" 1
63 1 5 THR HB 1 5 THR MG 3.000 2.100 3.900 2.148 2.145 2.150 . 0 0 "[ . 1 . 2]" 1
64 1 5 THR HB 1 6 ALA H 3.000 2.100 3.900 4.015 3.921 4.041 0.141 3 0 "[ . 1 . 2]" 1
65 1 6 ALA H 1 6 ALA HA 3.000 2.100 3.900 2.992 2.945 3.021 . 0 0 "[ . 1 . 2]" 1
66 1 7 NAL H3 1 8 ILE MD 3.000 2.100 3.900 4.005 3.957 4.081 0.181 19 0 "[ . 1 . 2]" 1
67 1 8 ILE HB 1 8 ILE MD 3.000 2.100 3.900 2.400 2.365 2.453 . 0 0 "[ . 1 . 2]" 1
68 1 8 ILE H 1 8 ILE HB 3.000 2.100 3.900 3.758 3.745 3.771 . 0 0 "[ . 1 . 2]" 1
69 1 8 ILE MG 1 13 PHE QD 3.000 2.100 3.900 4.014 3.977 4.070 0.170 8 0 "[ . 1 . 2]" 1
70 1 8 ILE MD 1 13 PHE QD 3.000 2.100 3.900 3.151 2.819 3.722 . 0 0 "[ . 1 . 2]" 1
71 1 8 ILE MG 1 13 PHE QE 3.000 2.100 3.900 2.386 2.345 2.505 . 0 0 "[ . 1 . 2]" 1
72 1 9 LYS HA 1 10 GLY H 3.000 2.100 3.900 2.209 2.180 2.284 . 0 0 "[ . 1 . 2]" 1
73 1 10 GLY QA 1 11 ARG H 3.000 2.100 3.900 2.910 2.876 2.935 . 0 0 "[ . 1 . 2]" 1
74 1 11 ARG H 1 11 ARG QB 3.000 2.100 3.900 2.672 2.282 2.729 . 0 0 "[ . 1 . 2]" 1
75 1 11 ARG QB 1 12 THR H 3.000 2.100 3.900 3.682 3.125 3.992 0.092 19 0 "[ . 1 . 2]" 1
76 1 12 THR MG 1 13 PHE QD 3.000 2.400 3.900 3.957 3.890 4.017 0.117 18 0 "[ . 1 . 2]" 1
77 1 12 THR HA 1 13 PHE H 3.000 2.100 3.900 2.358 2.283 2.403 . 0 0 "[ . 1 . 2]" 1
78 1 13 PHE HA 1 13 PHE QB 3.000 2.100 3.900 2.363 2.330 2.411 . 0 0 "[ . 1 . 2]" 1
79 1 13 PHE HA 1 14 ARG H 3.000 2.100 3.900 2.196 2.185 2.221 . 0 0 "[ . 1 . 2]" 1
80 1 13 PHE HA 1 13 PHE QD 3.000 2.100 3.900 3.081 3.038 3.127 . 0 0 "[ . 1 . 2]" 1
81 1 13 PHE H 1 13 PHE QD 3.000 2.100 3.900 2.286 2.154 2.377 . 0 0 "[ . 1 . 2]" 1
82 1 13 PHE HZ 1 22 PHE QB 3.000 2.400 3.900 2.704 2.397 2.971 0.003 5 0 "[ . 1 . 2]" 1
83 1 13 PHE HA 1 15 ASN H 3.000 2.100 3.900 3.919 3.761 3.976 0.076 14 0 "[ . 1 . 2]" 1
84 1 13 PHE QE 1 19 LEU QB 3.000 2.400 3.900 3.711 3.625 3.835 . 0 0 "[ . 1 . 2]" 1
85 1 14 ARG HA 1 14 ARG QB 3.000 2.100 3.900 2.402 2.201 2.450 . 0 0 "[ . 1 . 2]" 1
86 1 14 ARG HA 1 15 ASN H 3.000 2.100 3.900 3.528 3.504 3.541 . 0 0 "[ . 1 . 2]" 1
87 1 15 ASN H 1 15 ASN HA 3.000 2.100 3.900 3.004 3.000 3.008 . 0 0 "[ . 1 . 2]" 1
88 1 15 ASN HA 1 16 GLU H 3.000 2.100 3.900 2.174 2.159 2.207 . 0 0 "[ . 1 . 2]" 1
89 1 15 ASN HA 1 17 LYS H 3.000 2.100 3.900 3.553 3.513 3.656 . 0 0 "[ . 1 . 2]" 1
90 1 16 GLU HA 1 19 LEU QB 3.000 2.100 3.900 2.293 2.240 2.343 . 0 0 "[ . 1 . 2]" 1
91 1 16 GLU QB 1 17 LYS H 3.000 2.100 3.900 2.988 2.920 3.032 . 0 0 "[ . 1 . 2]" 1
92 1 16 GLU HA 1 19 LEU QD 3.000 2.100 3.900 3.170 3.071 3.300 . 0 0 "[ . 1 . 2]" 1
93 1 17 LYS HA 1 17 LYS QG 3.000 2.100 3.900 2.340 2.291 2.475 . 0 0 "[ . 1 . 2]" 1
94 1 17 LYS HA 1 18 GLU H 3.000 2.100 3.900 3.567 3.555 3.576 . 0 0 "[ . 1 . 2]" 1
95 1 17 LYS QE 1 17 LYS QG 3.000 2.100 3.900 2.350 2.131 2.866 . 0 0 "[ . 1 . 2]" 1
96 1 18 GLU HA 1 18 GLU QB 3.000 2.100 3.900 2.403 2.363 2.456 . 0 0 "[ . 1 . 2]" 1
97 1 18 GLU HA 1 18 GLU QG 3.000 2.100 3.900 2.503 2.318 2.785 . 0 0 "[ . 1 . 2]" 1
98 1 18 GLU HA 1 21 ASP QB 3.000 2.100 3.900 2.784 2.699 2.859 . 0 0 "[ . 1 . 2]" 1
99 1 18 GLU HA 1 21 ASP H 3.000 2.100 3.900 3.402 3.269 3.503 . 0 0 "[ . 1 . 2]" 1
100 1 18 GLU HA 1 22 PHE H 3.000 2.100 3.900 3.983 3.924 4.024 0.124 12 0 "[ . 1 . 2]" 1
101 1 18 GLU H 1 18 GLU QB 3.000 2.100 3.900 2.335 2.188 2.438 . 0 0 "[ . 1 . 2]" 1
102 1 18 GLU H 1 18 GLU QG 3.000 2.100 3.900 2.718 2.139 4.029 0.129 19 0 "[ . 1 . 2]" 1
103 1 13 PHE QD 1 19 LEU HA 3.000 2.100 3.900 3.367 2.882 3.600 . 0 0 "[ . 1 . 2]" 1
104 1 19 LEU H 1 19 LEU HA 3.000 2.100 3.900 2.894 2.880 2.913 . 0 0 "[ . 1 . 2]" 1
105 1 19 LEU HA 1 19 LEU QB 3.000 2.100 3.900 2.306 2.290 2.334 . 0 0 "[ . 1 . 2]" 1
106 1 19 LEU QB 1 20 ARG H 3.000 2.400 3.900 2.738 2.663 2.799 . 0 0 "[ . 1 . 2]" 1
107 1 13 PHE QE 1 19 LEU QD 3.000 2.400 3.900 2.445 2.283 2.853 0.117 18 0 "[ . 1 . 2]" 1
108 1 20 ARG HA 1 20 ARG QB 3.000 2.100 3.900 2.402 2.351 2.503 . 0 0 "[ . 1 . 2]" 1
109 1 20 ARG HA 1 20 ARG QG 3.000 2.400 3.900 2.435 2.353 3.081 0.047 20 0 "[ . 1 . 2]" 1
110 1 20 ARG HA 1 23 ILE MD 3.000 2.400 3.900 2.317 2.303 2.340 0.097 15 0 "[ . 1 . 2]" 1
111 1 20 ARG HA 1 23 ILE HB 3.000 2.100 3.900 2.452 2.397 2.522 . 0 0 "[ . 1 . 2]" 1
112 1 21 ASP HA 1 23 ILE H 3.000 2.100 3.900 3.945 3.895 3.960 0.060 7 0 "[ . 1 . 2]" 1
113 1 21 ASP HA 1 24 GLU QB 3.000 2.400 3.900 3.099 2.615 3.155 . 0 0 "[ . 1 . 2]" 1
114 1 21 ASP HA 1 22 PHE H 3.000 2.100 3.900 3.576 3.572 3.588 . 0 0 "[ . 1 . 2]" 1
115 1 21 ASP HA 1 24 GLU H 3.000 2.100 3.900 3.301 3.221 3.344 . 0 0 "[ . 1 . 2]" 1
116 1 21 ASP QB 1 22 PHE H 3.000 2.400 3.900 2.342 2.329 2.348 0.071 20 0 "[ . 1 . 2]" 1
117 1 22 PHE HA 1 24 GLU H 3.000 2.100 3.900 4.063 4.021 4.079 0.179 9 0 "[ . 1 . 2]" 1
118 1 22 PHE HA 1 22 PHE QB 3.000 2.100 3.900 2.512 2.503 2.522 . 0 0 "[ . 1 . 2]" 1
119 1 22 PHE QB 1 22 PHE QE 3.000 2.100 3.900 3.991 3.989 3.993 0.093 1 0 "[ . 1 . 2]" 1
120 1 22 PHE QB 1 23 ILE H 3.000 2.100 3.900 2.951 2.925 2.967 . 0 0 "[ . 1 . 2]" 1
121 1 22 PHE H 1 22 PHE QD 3.000 2.100 3.900 2.254 2.176 2.312 . 0 0 "[ . 1 . 2]" 1
122 1 22 PHE H 1 23 ILE H 3.000 2.100 3.900 2.606 2.594 2.633 . 0 0 "[ . 1 . 2]" 1
123 1 23 ILE HA 1 23 ILE MG 3.000 2.100 3.900 2.744 2.715 2.773 . 0 0 "[ . 1 . 2]" 1
124 1 23 ILE H 1 23 ILE HA 3.000 2.100 3.900 2.879 2.872 2.891 . 0 0 "[ . 1 . 2]" 1
125 1 23 ILE HA 1 26 PHE QD 3.000 2.100 3.900 2.358 2.315 2.377 . 0 0 "[ . 1 . 2]" 1
126 1 23 ILE HB 1 23 ILE MG 3.000 2.100 3.900 2.139 2.138 2.142 . 0 0 "[ . 1 . 2]" 1
127 1 23 ILE HA 1 23 ILE MD 3.000 2.400 3.900 3.767 3.758 3.777 . 0 0 "[ . 1 . 2]" 1
128 1 23 ILE H 1 23 ILE MD 3.000 2.100 3.900 3.798 3.733 3.873 . 0 0 "[ . 1 . 2]" 1
129 1 23 ILE H 1 23 ILE HG13 3.000 2.100 3.900 2.978 2.920 3.027 . 0 0 "[ . 1 . 2]" 1
130 1 23 ILE H 1 23 ILE QG 3.000 2.100 3.900 2.909 2.854 2.953 . 0 0 "[ . 1 . 2]" 1
131 1 23 ILE QG 1 26 PHE QD 3.000 2.100 3.900 2.825 2.681 2.884 . 0 0 "[ . 1 . 2]" 1
132 1 23 ILE MG 1 26 PHE QD 3.000 2.100 3.900 3.999 3.966 4.034 0.134 14 0 "[ . 1 . 2]" 1
133 1 24 GLU HA 1 24 GLU QB 3.000 2.100 3.900 2.401 2.199 2.416 . 0 0 "[ . 1 . 2]" 1
134 1 24 GLU HA 1 24 GLU QG 3.000 2.100 3.900 2.588 2.322 3.241 . 0 0 "[ . 1 . 2]" 1
135 1 24 GLU H 1 24 GLU QG 3.000 2.400 3.900 2.375 2.324 3.104 0.076 6 0 "[ . 1 . 2]" 1
136 1 25 LYS HA 1 26 PHE H 3.000 2.100 3.900 3.600 3.577 3.609 . 0 0 "[ . 1 . 2]" 1
137 1 25 LYS H 1 25 LYS HA 3.000 2.100 3.900 2.921 2.907 2.933 . 0 0 "[ . 1 . 2]" 1
138 1 25 LYS H 1 25 LYS QB 3.000 2.100 3.900 2.317 2.198 2.445 . 0 0 "[ . 1 . 2]" 1
139 1 25 LYS H 1 26 PHE H 3.000 2.100 3.900 2.611 2.530 2.632 . 0 0 "[ . 1 . 2]" 1
140 1 26 PHE HA 1 26 PHE QB 3.000 2.100 3.900 2.303 2.296 2.308 . 0 0 "[ . 1 . 2]" 1
141 1 26 PHE H 1 26 PHE HA 3.000 2.100 3.900 2.866 2.853 2.905 . 0 0 "[ . 1 . 2]" 1
142 1 26 PHE H 1 26 PHE QB 3.000 2.100 3.900 2.738 2.690 2.755 . 0 0 "[ . 1 . 2]" 1
143 1 26 PHE H 1 26 PHE QD 3.000 2.100 3.900 2.825 2.754 2.907 . 0 0 "[ . 1 . 2]" 1
144 1 29 ARG HA 1 29 ARG QG 3.000 2.100 3.900 2.790 2.318 3.332 . 0 0 "[ . 1 . 2]" 1
145 1 29 ARG HA 1 29 ARG QB 3.000 2.100 3.900 2.323 2.196 2.513 . 0 0 "[ . 1 . 2]" 1
146 1 29 ARG H 1 29 ARG QB 3.000 2.400 3.900 2.697 2.270 3.396 0.130 19 0 "[ . 1 . 2]" 1
147 1 29 ARG H 1 29 ARG QG 3.000 2.100 3.900 2.521 2.047 3.975 0.075 7 0 "[ . 1 . 2]" 1
148 1 3 GLN H 1 3 GLN HA 3.500 2.400 4.600 2.895 2.888 2.927 . 0 0 "[ . 1 . 2]" 1
149 1 3 GLN QB 1 4 TYR QE 3.500 2.800 4.600 4.550 3.723 4.763 0.163 6 0 "[ . 1 . 2]" 1
150 1 4 TYR H 1 4 TYR QB 3.500 2.400 4.600 2.917 2.754 2.965 . 0 0 "[ . 1 . 2]" 1
151 1 4 TYR QB 1 5 THR H 3.500 2.400 4.600 3.447 3.361 3.499 . 0 0 "[ . 1 . 2]" 1
152 1 4 TYR H 1 5 THR H 3.500 2.400 4.600 4.542 4.524 4.570 . 0 0 "[ . 1 . 2]" 1
153 1 4 TYR H 1 4 TYR QD 3.500 2.400 4.600 2.370 2.291 2.548 0.109 20 0 "[ . 1 . 2]" 1
154 1 4 TYR QE 1 16 GLU HA 3.500 2.400 4.600 3.902 3.181 4.337 . 0 0 "[ . 1 . 2]" 1
155 1 5 THR HA 1 12 THR MG 3.500 2.400 4.600 4.093 3.156 4.701 0.101 7 0 "[ . 1 . 2]" 1
156 1 5 THR H 1 5 THR HA 3.500 2.400 4.600 3.024 3.021 3.026 . 0 0 "[ . 1 . 2]" 1
157 1 5 THR HA 1 6 ALA H 3.500 2.400 4.600 3.494 3.486 3.507 . 0 0 "[ . 1 . 2]" 1
158 1 5 THR H 1 5 THR HB 3.500 2.400 4.600 3.801 3.786 3.815 . 0 0 "[ . 1 . 2]" 1
159 1 5 THR H 1 5 THR MG 3.500 2.400 4.600 2.452 2.334 2.722 0.066 10 0 "[ . 1 . 2]" 1
160 1 5 THR MG 1 6 ALA H 3.500 2.400 4.600 3.691 3.577 3.933 . 0 0 "[ . 1 . 2]" 1
161 1 6 ALA H 1 8 ILE H 3.000 2.100 3.900 4.053 4.014 4.091 0.191 11 0 "[ . 1 . 2]" 1
162 1 5 THR MG 1 7 NAL H3 3.500 2.400 4.600 4.680 4.652 4.760 0.160 10 0 "[ . 1 . 2]" 1
163 1 6 ALA MB 1 7 NAL H3 3.500 2.400 4.600 3.788 3.334 4.117 . 0 0 "[ . 1 . 2]" 1
164 1 8 ILE HA 1 8 ILE MD 3.500 2.400 4.600 3.542 3.522 3.583 . 0 0 "[ . 1 . 2]" 1
165 1 8 ILE H 1 8 ILE HA 3.500 2.400 4.600 2.964 2.945 2.976 . 0 0 "[ . 1 . 2]" 1
166 1 8 ILE H 1 8 ILE HG12 3.500 2.400 4.600 3.880 3.865 3.907 . 0 0 "[ . 1 . 2]" 1
167 1 8 ILE MD 1 13 PHE QE 3.500 2.400 4.600 3.585 3.444 3.738 . 0 0 "[ . 1 . 2]" 1
168 1 8 ILE H 1 8 ILE MG 3.500 2.400 4.600 3.518 3.497 3.550 . 0 0 "[ . 1 . 2]" 1
169 1 8 ILE MG 1 9 LYS H 3.500 2.400 4.600 3.813 3.594 3.965 . 0 0 "[ . 1 . 2]" 1
170 1 8 ILE MG 1 13 PHE HZ 3.500 2.400 4.600 3.725 3.635 3.823 . 0 0 "[ . 1 . 2]" 1
171 1 8 ILE QG 1 13 PHE HZ 3.500 2.400 4.600 4.628 4.509 4.673 0.073 10 0 "[ . 1 . 2]" 1
172 1 8 ILE QG 1 13 PHE QE 3.000 2.100 3.900 2.368 2.341 2.404 . 0 0 "[ . 1 . 2]" 1
173 1 8 ILE MD 1 9 LYS H 4.000 2.800 5.200 4.219 4.075 4.272 . 0 0 "[ . 1 . 2]" 1
174 1 8 ILE H 1 9 LYS H 3.000 2.100 3.900 4.007 3.859 4.190 0.290 18 0 "[ . 1 . 2]" 1
175 1 8 ILE QG 1 26 PHE QE 3.500 2.400 4.600 4.355 3.976 4.592 . 0 0 "[ . 1 . 2]" 1
176 1 9 LYS H 1 9 LYS QG 3.500 2.800 4.600 3.636 2.663 4.134 0.137 2 0 "[ . 1 . 2]" 1
177 1 9 LYS H 1 9 LYS QB 3.500 2.400 4.600 2.353 2.315 2.382 0.085 14 0 "[ . 1 . 2]" 1
178 1 9 LYS H 1 9 LYS QD 3.500 2.400 4.600 4.315 3.683 4.710 0.110 8 0 "[ . 1 . 2]" 1
179 1 11 ARG H 1 11 ARG HA 3.500 2.400 4.600 3.011 2.988 3.017 . 0 0 "[ . 1 . 2]" 1
180 1 11 ARG H 1 11 ARG QG 3.500 2.400 4.600 3.038 2.811 4.234 . 0 0 "[ . 1 . 2]" 1
181 1 11 ARG QB 1 22 PHE QD 3.500 2.400 4.600 4.627 4.458 4.686 0.086 20 0 "[ . 1 . 2]" 1
182 1 12 THR HA 1 12 THR HB 3.500 2.400 4.600 2.798 2.764 2.858 . 0 0 "[ . 1 . 2]" 1
183 1 12 THR H 1 12 THR HB 3.500 2.400 4.600 3.443 3.327 3.635 . 0 0 "[ . 1 . 2]" 1
184 1 12 THR HB 1 13 PHE QD 3.500 2.400 4.600 4.636 4.595 4.670 0.070 7 0 "[ . 1 . 2]" 1
185 1 12 THR H 1 12 THR MG 3.500 2.400 4.600 3.426 3.359 3.668 . 0 0 "[ . 1 . 2]" 1
186 1 12 THR MG 1 13 PHE H 3.500 2.400 4.600 2.938 2.682 3.015 . 0 0 "[ . 1 . 2]" 1
187 1 12 THR MG 1 13 PHE HA 4.000 2.800 5.200 5.245 5.088 5.291 0.091 8 0 "[ . 1 . 2]" 1
188 1 13 PHE QB 1 14 ARG H 3.500 2.400 4.600 3.146 2.955 3.185 . 0 0 "[ . 1 . 2]" 1
189 1 13 PHE H 1 13 PHE HA 3.500 2.400 4.600 3.010 2.997 3.017 . 0 0 "[ . 1 . 2]" 1
190 1 13 PHE H 1 13 PHE QB 3.500 2.400 4.600 2.525 2.402 2.651 . 0 0 "[ . 1 . 2]" 1
191 1 13 PHE QB 1 18 GLU QB 3.500 2.400 4.600 2.822 2.392 3.606 0.008 11 0 "[ . 1 . 2]" 1
192 1 13 PHE QD 1 18 GLU HA 3.500 2.400 4.600 4.655 4.509 4.721 0.121 11 0 "[ . 1 . 2]" 1
193 1 13 PHE QD 1 16 GLU HA 3.500 2.400 4.600 4.741 4.649 4.842 0.242 19 0 "[ . 1 . 2]" 1
194 1 11 ARG QB 1 13 PHE HZ 3.500 2.400 4.600 3.596 2.749 4.131 . 0 0 "[ . 1 . 2]" 1
195 1 13 PHE HZ 1 19 LEU QB 3.500 2.800 4.600 4.759 4.719 4.799 0.199 15 0 "[ . 1 . 2]" 1
196 1 13 PHE HZ 1 19 LEU QD 3.500 2.400 4.600 3.346 3.068 3.499 . 0 0 "[ . 1 . 2]" 1
197 1 13 PHE QD 1 18 GLU QG 3.500 2.400 4.600 3.813 2.357 4.509 0.043 19 0 "[ . 1 . 2]" 1
198 1 13 PHE QB 1 19 LEU H 4.000 2.800 5.200 3.188 2.993 3.496 . 0 0 "[ . 1 . 2]" 1
199 1 13 PHE QB 1 15 ASN H 3.500 2.400 4.600 3.118 2.938 3.370 . 0 0 "[ . 1 . 2]" 1
200 1 14 ARG HA 1 14 ARG QG 3.500 2.400 4.600 2.481 2.365 3.343 0.035 9 0 "[ . 1 . 2]" 1
201 1 14 ARG H 1 14 ARG HA 3.500 2.400 4.600 2.911 2.866 2.980 . 0 0 "[ . 1 . 2]" 1
202 1 13 PHE QD 1 14 ARG H 3.500 2.400 4.600 4.397 4.208 4.470 . 0 0 "[ . 1 . 2]" 1
203 1 14 ARG H 1 18 GLU QB 3.500 2.400 4.600 4.611 4.580 4.631 0.031 9 0 "[ . 1 . 2]" 1
204 1 14 ARG H 1 14 ARG QB 3.500 2.400 4.600 2.366 2.315 2.508 0.085 13 0 "[ . 1 . 2]" 1
205 1 14 ARG H 1 14 ARG QG 3.500 2.400 4.600 3.387 2.299 4.134 0.102 20 0 "[ . 1 . 2]" 1
206 1 15 ASN H 1 15 ASN QB 3.500 2.400 4.600 3.076 2.984 3.108 . 0 0 "[ . 1 . 2]" 1
207 1 15 ASN QB 1 16 GLU H 3.500 2.400 4.600 3.252 3.220 3.344 . 0 0 "[ . 1 . 2]" 1
208 1 15 ASN QB 1 17 LYS H 3.500 2.400 4.600 2.447 2.363 2.782 0.037 14 0 "[ . 1 . 2]" 1
209 1 15 ASN QD 1 17 LYS QB 3.500 2.400 4.600 3.454 2.710 4.261 . 0 0 "[ . 1 . 2]" 1
210 1 15 ASN QD 1 17 LYS HB2 3.500 2.500 4.500 4.534 4.266 4.588 0.088 11 0 "[ . 1 . 2]" 1
211 1 15 ASN HA 1 18 GLU H 3.500 2.400 4.600 4.737 4.655 4.794 0.194 20 0 "[ . 1 . 2]" 1
212 1 15 ASN QB 1 16 GLU HA 3.500 2.400 4.600 4.658 4.568 4.679 0.079 12 0 "[ . 1 . 2]" 1
213 1 15 ASN HB2 1 16 GLU HA 3.500 2.400 4.600 4.861 4.821 4.881 0.281 12 0 "[ . 1 . 2]" 1
214 1 15 ASN QD 1 18 GLU QG 3.500 2.400 4.600 2.694 2.326 3.759 0.074 11 0 "[ . 1 . 2]" 1
215 1 16 GLU H 1 16 GLU HA 3.500 2.400 4.600 2.857 2.840 2.884 . 0 0 "[ . 1 . 2]" 1
216 1 16 GLU HA 1 19 LEU HG 3.500 2.400 4.600 4.717 4.657 4.826 0.226 20 0 "[ . 1 . 2]" 1
217 1 16 GLU HA 1 19 LEU H 3.500 2.400 4.600 3.027 2.970 3.121 . 0 0 "[ . 1 . 2]" 1
218 1 16 GLU H 1 16 GLU QG 3.500 2.400 4.600 3.415 2.370 3.989 0.030 18 0 "[ . 1 . 2]" 1
219 1 16 GLU QG 1 17 LYS H 3.500 2.400 4.600 4.201 3.803 4.648 0.048 11 0 "[ . 1 . 2]" 1
220 1 16 GLU QB 1 19 LEU QD 3.500 2.400 4.600 3.596 3.182 4.070 . 0 0 "[ . 1 . 2]" 1
221 1 16 GLU QG 1 19 LEU QD 3.000 2.100 3.900 2.658 2.191 3.791 . 0 0 "[ . 1 . 2]" 1
222 1 17 LYS HA 1 17 LYS QE 3.500 2.400 4.600 4.048 2.372 4.707 0.107 1 0 "[ . 1 . 2]" 1
223 1 17 LYS HA 1 20 ARG H 3.500 2.400 4.600 3.414 3.058 3.587 . 0 0 "[ . 1 . 2]" 1
224 1 17 LYS HA 1 21 ASP H 3.500 2.400 4.600 4.544 4.157 4.671 0.071 8 0 "[ . 1 . 2]" 1
225 1 17 LYS QB 1 17 LYS QE 3.500 2.400 4.600 2.643 2.259 3.867 0.141 14 0 "[ . 1 . 2]" 1
226 1 17 LYS H 1 17 LYS QE 3.500 2.400 4.600 4.534 4.195 4.700 0.100 7 0 "[ . 1 . 2]" 1
227 1 17 LYS H 1 17 LYS QG 3.500 2.400 4.600 3.914 3.702 4.075 . 0 0 "[ . 1 . 2]" 1
228 1 17 LYS QG 1 21 ASP H 4.000 2.800 5.200 4.845 4.520 5.359 0.159 3 0 "[ . 1 . 2]" 1
229 1 17 LYS QG 1 18 GLU H 3.500 2.400 4.600 3.875 3.464 4.466 . 0 0 "[ . 1 . 2]" 1
230 1 16 GLU H 1 17 LYS H 3.500 2.400 4.600 2.569 2.539 2.628 . 0 0 "[ . 1 . 2]" 1
231 1 17 LYS H 1 19 LEU H 3.500 2.400 4.600 3.971 3.872 4.033 . 0 0 "[ . 1 . 2]" 1
232 1 17 LYS QB 1 19 LEU H 3.500 2.400 4.600 4.501 4.439 4.585 . 0 0 "[ . 1 . 2]" 1
233 1 18 GLU HA 1 19 LEU H 3.500 2.400 4.600 3.510 3.488 3.528 . 0 0 "[ . 1 . 2]" 1
234 1 13 PHE QD 1 18 GLU QB 3.500 2.400 4.600 2.342 2.300 2.387 0.100 14 0 "[ . 1 . 2]" 1
235 1 15 ASN H 1 18 GLU QB 3.500 2.400 4.600 3.746 3.608 3.860 . 0 0 "[ . 1 . 2]" 1
236 1 18 GLU QB 1 19 LEU H 3.500 2.400 4.600 2.787 2.690 2.869 . 0 0 "[ . 1 . 2]" 1
237 1 18 GLU HA 1 20 ARG H 4.000 2.800 5.200 4.243 4.125 4.382 . 0 0 "[ . 1 . 2]" 1
238 1 13 PHE QE 1 19 LEU HA 3.500 2.400 4.600 3.254 2.623 3.600 . 0 0 "[ . 1 . 2]" 1
239 1 19 LEU HA 1 19 LEU MD1 3.500 2.400 4.600 2.294 2.258 2.333 0.142 12 0 "[ . 1 . 2]" 1
240 1 19 LEU HA 1 19 LEU HG 3.500 2.400 4.600 3.203 2.944 3.339 . 0 0 "[ . 1 . 2]" 1
241 1 19 LEU HA 1 20 ARG H 3.500 2.400 4.600 3.536 3.522 3.560 . 0 0 "[ . 1 . 2]" 1
242 1 19 LEU H 1 19 LEU HG 3.500 2.400 4.600 4.357 4.306 4.430 . 0 0 "[ . 1 . 2]" 1
243 1 19 LEU HA 1 21 ASP H 3.500 2.400 4.600 4.133 4.071 4.200 . 0 0 "[ . 1 . 2]" 1
244 1 19 LEU H 1 20 ARG QB 4.000 2.800 5.200 4.299 4.200 4.510 . 0 0 "[ . 1 . 2]" 1
245 1 19 LEU HA 1 22 PHE QB 3.500 2.400 4.600 2.370 2.358 2.385 0.042 16 0 "[ . 1 . 2]" 1
246 1 19 LEU HA 1 22 PHE H 3.500 2.400 4.600 3.251 3.202 3.292 . 0 0 "[ . 1 . 2]" 1
247 1 19 LEU HB2 1 22 PHE HB2 3.500 2.400 4.600 4.670 4.636 4.716 0.116 8 0 "[ . 1 . 2]" 1
248 1 13 PHE QD 1 19 LEU QB 3.500 2.400 4.600 2.620 2.485 2.926 . 0 0 "[ . 1 . 2]" 1
249 1 19 LEU QB 1 21 ASP H 3.500 2.400 4.600 4.732 4.711 4.752 0.152 14 0 "[ . 1 . 2]" 1
250 1 4 TYR QD 1 19 LEU QB 3.500 2.400 4.600 4.661 4.600 4.720 0.120 8 0 "[ . 1 . 2]" 1
251 1 4 TYR QE 1 19 LEU QB 3.500 2.400 4.600 4.330 3.962 4.576 . 0 0 "[ . 1 . 2]" 1
252 1 19 LEU QB 1 26 PHE QE 4.000 2.800 5.200 5.328 5.304 5.367 0.167 16 0 "[ . 1 . 2]" 1
253 1 19 LEU QD 1 20 ARG HA 3.500 2.400 4.600 4.138 4.082 4.241 . 0 0 "[ . 1 . 2]" 1
254 1 4 TYR QE 1 19 LEU QD 3.500 2.400 4.600 3.552 2.768 3.915 . 0 0 "[ . 1 . 2]" 1
255 1 19 LEU H 1 19 LEU QD 3.500 2.400 4.600 3.796 3.779 3.820 . 0 0 "[ . 1 . 2]" 1
256 1 19 LEU QD 1 20 ARG H 3.500 2.400 4.600 3.885 3.785 3.964 . 0 0 "[ . 1 . 2]" 1
257 1 4 TYR QD 1 19 LEU QD 3.500 2.400 4.600 3.085 2.724 3.361 . 0 0 "[ . 1 . 2]" 1
258 1 13 PHE QD 1 19 LEU HG 3.500 2.400 4.600 4.894 4.852 4.950 0.350 1 0 "[ . 1 . 2]" 1
259 1 19 LEU HG 1 20 ARG H 3.500 2.400 4.600 3.663 3.471 3.883 . 0 0 "[ . 1 . 2]" 1
260 1 19 LEU HG 1 23 ILE MG 3.500 2.400 4.600 4.660 4.580 4.711 0.111 11 0 "[ . 1 . 2]" 1
261 1 19 LEU H 1 21 ASP H 3.500 2.400 4.600 4.018 3.924 4.069 . 0 0 "[ . 1 . 2]" 1
262 1 20 ARG H 1 20 ARG QD 4.000 2.800 5.200 4.456 3.669 4.747 . 0 0 "[ . 1 . 2]" 1
263 1 20 ARG HA 1 21 ASP H 3.500 2.400 4.600 3.483 3.476 3.490 . 0 0 "[ . 1 . 2]" 1
264 1 20 ARG HA 1 23 ILE H 3.500 2.400 4.600 3.665 3.615 3.725 . 0 0 "[ . 1 . 2]" 1
265 1 20 ARG HA 1 23 ILE MG 3.500 2.400 4.600 3.436 3.392 3.489 . 0 0 "[ . 1 . 2]" 1
266 1 20 ARG H 1 22 PHE H 3.500 2.400 4.600 4.294 4.257 4.358 . 0 0 "[ . 1 . 2]" 1
267 1 20 ARG QD 1 21 ASP H 3.500 2.400 4.600 4.434 3.237 4.648 0.048 16 0 "[ . 1 . 2]" 1
268 1 20 ARG HA 1 23 ILE QG 3.500 2.400 4.600 3.741 3.660 3.818 . 0 0 "[ . 1 . 2]" 1
269 1 20 ARG H 1 20 ARG QG 3.500 2.400 4.600 3.910 2.356 4.074 0.044 16 0 "[ . 1 . 2]" 1
270 1 20 ARG QG 1 21 ASP H 3.500 2.400 4.600 3.844 3.535 4.463 . 0 0 "[ . 1 . 2]" 1
271 1 21 ASP H 1 22 PHE QB 3.500 2.400 4.600 4.391 4.368 4.411 . 0 0 "[ . 1 . 2]" 1
272 1 21 ASP HA 1 24 GLU QG 3.500 2.400 4.600 2.972 2.771 3.797 . 0 0 "[ . 1 . 2]" 1
273 1 21 ASP H 1 23 ILE MD 4.000 2.800 5.200 5.061 4.952 5.162 . 0 0 "[ . 1 . 2]" 1
274 1 21 ASP H 1 23 ILE MG 4.000 2.800 5.200 5.502 5.470 5.530 0.330 10 0 "[ . 1 . 2]" 1
275 1 21 ASP HA 1 25 LYS H 4.000 2.800 5.200 4.930 4.900 4.963 . 0 0 "[ . 1 . 2]" 1
276 1 22 PHE HA 1 23 ILE H 3.500 2.400 4.600 3.444 3.430 3.450 . 0 0 "[ . 1 . 2]" 1
277 1 22 PHE QB 1 24 GLU H 3.500 2.400 4.600 4.737 4.698 4.751 0.151 9 0 "[ . 1 . 2]" 1
278 1 22 PHE HA 1 25 LYS H 3.500 2.400 4.600 3.103 3.010 3.241 . 0 0 "[ . 1 . 2]" 1
279 1 22 PHE H 1 24 GLU H 3.500 2.400 4.600 4.172 4.121 4.197 . 0 0 "[ . 1 . 2]" 1
280 1 22 PHE H 1 22 PHE QE 3.500 2.400 4.600 4.582 4.513 4.617 0.017 19 0 "[ . 1 . 2]" 1
281 1 22 PHE QD 1 23 ILE H 3.500 2.400 4.600 4.428 4.403 4.443 . 0 0 "[ . 1 . 2]" 1
282 1 23 ILE HA 1 26 PHE H 3.500 2.400 4.600 3.175 2.953 3.268 . 0 0 "[ . 1 . 2]" 1
283 1 23 ILE HA 1 23 ILE HB 3.500 2.400 4.600 2.991 2.984 3.002 . 0 0 "[ . 1 . 2]" 1
284 1 23 ILE MG 1 24 GLU H 3.500 2.400 4.600 2.866 2.802 2.935 . 0 0 "[ . 1 . 2]" 1
285 1 23 ILE MD 1 24 GLU H 3.500 2.400 4.600 4.750 4.733 4.761 0.161 17 0 "[ . 1 . 2]" 1
286 1 23 ILE H 1 24 GLU QG 3.500 2.400 4.600 4.295 4.241 4.753 0.153 20 0 "[ . 1 . 2]" 1
287 1 23 ILE HA 1 24 GLU H 3.500 2.400 4.600 3.487 3.474 3.502 . 0 0 "[ . 1 . 2]" 1
288 1 23 ILE HA 1 25 LYS H 3.500 2.400 4.600 3.850 3.806 3.886 . 0 0 "[ . 1 . 2]" 1
289 1 23 ILE QG 1 24 GLU H 3.500 2.400 4.600 4.331 4.321 4.337 . 0 0 "[ . 1 . 2]" 1
290 1 21 ASP H 1 23 ILE H 3.500 2.400 4.600 3.631 3.614 3.655 . 0 0 "[ . 1 . 2]" 1
291 1 23 ILE HA 1 26 PHE QB 3.500 2.800 4.600 3.173 2.837 3.316 . 0 0 "[ . 1 . 2]" 1
292 1 24 GLU H 1 26 PHE H 3.500 2.400 4.600 4.386 4.220 4.422 . 0 0 "[ . 1 . 2]" 1
293 1 24 GLU HA 1 25 LYS H 3.500 2.400 4.600 3.478 3.464 3.490 . 0 0 "[ . 1 . 2]" 1
294 1 24 GLU QB 1 25 LYS H 3.500 2.400 4.600 2.924 2.840 3.436 . 0 0 "[ . 1 . 2]" 1
295 1 24 GLU HA 1 25 LYS HA 4.000 2.800 5.200 4.759 4.746 4.777 . 0 0 "[ . 1 . 2]" 1
296 1 25 LYS HA 1 25 LYS QG 3.500 2.400 4.600 2.481 2.359 3.103 0.041 5 0 "[ . 1 . 2]" 1
297 1 25 LYS H 1 25 LYS QG 3.500 2.400 4.600 3.674 2.378 4.108 0.022 20 0 "[ . 1 . 2]" 1
298 1 29 ARG H 1 29 ARG QD 3.500 2.400 4.600 3.817 2.341 4.691 0.091 7 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 14
_Distance_constraint_stats_list.Viol_count 128
_Distance_constraint_stats_list.Viol_total 105.618
_Distance_constraint_stats_list.Viol_max 0.132
_Distance_constraint_stats_list.Viol_rms 0.0324
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0189
_Distance_constraint_stats_list.Viol_average_violations_only 0.0413
_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 16 GLU 1.149 0.071 3 0 "[ . 1 . 2]"
1 17 LYS 0.012 0.008 20 0 "[ . 1 . 2]"
1 18 GLU 0.303 0.030 15 0 "[ . 1 . 2]"
1 19 LEU 2.351 0.132 3 0 "[ . 1 . 2]"
1 20 ARG 1.389 0.071 3 0 "[ . 1 . 2]"
1 21 ASP 1.238 0.102 9 0 "[ . 1 . 2]"
1 22 PHE 0.303 0.030 15 0 "[ . 1 . 2]"
1 23 ILE 2.351 0.132 3 0 "[ . 1 . 2]"
1 24 GLU 0.239 0.029 5 0 "[ . 1 . 2]"
1 25 LYS 1.226 0.102 9 0 "[ . 1 . 2]"
1 26 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 16 GLU O 1 20 ARG H 1.900 . 2.500 1.875 1.851 1.893 0.049 20 0 "[ . 1 . 2]" 2
2 1 16 GLU O 1 20 ARG N 2.800 2.800 3.400 2.769 2.729 2.821 0.071 3 0 "[ . 1 . 2]" 2
3 1 17 LYS O 1 21 ASP H 1.900 . 2.500 2.364 2.023 2.508 0.008 20 0 "[ . 1 . 2]" 2
4 1 17 LYS O 1 21 ASP N 2.800 2.800 3.400 3.241 2.917 3.390 . 0 0 "[ . 1 . 2]" 2
5 1 18 GLU O 1 22 PHE H 1.900 . 2.500 1.886 1.870 1.916 0.030 15 0 "[ . 1 . 2]" 2
6 1 18 GLU O 1 22 PHE N 2.800 2.800 3.400 2.857 2.839 2.882 . 0 0 "[ . 1 . 2]" 2
7 1 19 LEU O 1 23 ILE H 1.900 . 2.500 1.903 1.880 1.962 0.020 18 0 "[ . 1 . 2]" 2
8 1 19 LEU O 1 23 ILE N 2.800 2.800 3.400 2.688 2.668 2.727 0.132 3 0 "[ . 1 . 2]" 2
9 1 20 ARG O 1 24 GLU H 1.900 . 2.500 2.510 2.475 2.529 0.029 5 0 "[ . 1 . 2]" 2
10 1 20 ARG O 1 24 GLU N 2.800 2.800 3.400 3.334 3.301 3.352 . 0 0 "[ . 1 . 2]" 2
11 1 21 ASP O 1 25 LYS H 1.900 . 2.500 2.560 2.522 2.602 0.102 9 0 "[ . 1 . 2]" 2
12 1 21 ASP O 1 25 LYS N 2.800 2.800 3.400 3.354 3.306 3.426 0.026 9 0 "[ . 1 . 2]" 2
13 1 22 PHE O 1 26 PHE H 1.900 . 2.500 2.133 2.114 2.208 . 0 0 "[ . 1 . 2]" 2
14 1 22 PHE O 1 26 PHE N 2.800 2.800 3.400 3.073 3.049 3.116 . 0 0 "[ . 1 . 2]" 2
stop_
save_