NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
607882 |
2n78   |
26649 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2n78
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 425
_Distance_constraint_stats_list.Viol_count 1109
_Distance_constraint_stats_list.Viol_total 2336.835
_Distance_constraint_stats_list.Viol_max 0.786
_Distance_constraint_stats_list.Viol_rms 0.0791
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0244
_Distance_constraint_stats_list.Viol_average_violations_only 0.1405
_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 4 GLU 0.000 0.000 . 0 "[ . 1 .]"
1 5 ASP 0.000 0.000 . 0 "[ . 1 .]"
1 6 SER 0.000 0.000 . 0 "[ . 1 .]"
1 7 PHE 1.135 0.184 10 0 "[ . 1 .]"
1 8 GLU 0.063 0.037 11 0 "[ . 1 .]"
1 9 MET 0.000 0.000 . 0 "[ . 1 .]"
1 10 GLU 0.226 0.066 5 0 "[ . 1 .]"
1 11 GLY 1.213 0.101 3 0 "[ . 1 .]"
1 12 THR 4.509 0.259 6 0 "[ . 1 .]"
1 13 VAL 21.787 0.786 13 15 [**********-*+**]
1 14 VAL 12.382 0.447 3 0 "[ . 1 .]"
1 15 ASP 9.286 0.307 1 0 "[ . 1 .]"
1 16 THR 5.750 0.378 12 0 "[ . 1 .]"
1 17 LEU 2.268 0.540 10 2 "[ .- + .]"
1 18 PRO 0.737 0.078 9 0 "[ . 1 .]"
1 19 ASN 0.737 0.078 9 0 "[ . 1 .]"
1 20 THR 0.624 0.213 5 0 "[ . 1 .]"
1 21 MET 1.339 0.213 5 0 "[ . 1 .]"
1 22 PHE 10.903 0.514 5 1 "[ + 1 .]"
1 23 ARG 4.378 0.251 14 0 "[ . 1 .]"
1 24 VAL 8.140 0.563 13 1 "[ . 1 + .]"
1 25 GLU 7.089 0.326 13 0 "[ . 1 .]"
1 26 LEU 6.736 0.402 4 0 "[ . 1 .]"
1 27 GLU 2.288 0.172 3 0 "[ . 1 .]"
1 28 ASN 2.350 0.172 3 0 "[ . 1 .]"
1 29 GLY 0.064 0.014 7 0 "[ . 1 .]"
1 30 HIS 4.999 0.402 4 0 "[ . 1 .]"
1 31 VAL 5.259 0.326 13 0 "[ . 1 .]"
1 32 VAL 17.655 0.541 7 1 "[ . + 1 .]"
1 33 THR 7.393 0.541 7 1 "[ . + 1 .]"
1 34 ALA 10.839 0.514 5 1 "[ + 1 .]"
1 35 HIS 3.418 0.151 1 0 "[ . 1 .]"
1 36 ILE 3.858 0.350 13 0 "[ . 1 .]"
1 37 SER 0.955 0.152 9 0 "[ . 1 .]"
1 38 GLY 0.015 0.015 9 0 "[ . 1 .]"
1 39 LYS 0.172 0.085 3 0 "[ . 1 .]"
1 40 MET 0.406 0.061 10 0 "[ . 1 .]"
1 41 ARG 1.310 0.108 14 0 "[ . 1 .]"
1 42 LYS 2.584 0.289 9 0 "[ . 1 .]"
1 43 ASN 1.120 0.268 4 0 "[ . 1 .]"
1 44 TYR 2.975 0.415 9 0 "[ . 1 .]"
1 45 ILE 3.030 0.415 9 0 "[ . 1 .]"
1 46 ARG 0.000 0.000 . 0 "[ . 1 .]"
1 47 ILE 1.610 0.684 15 1 "[ . 1 +]"
1 48 LEU 0.580 0.141 2 0 "[ . 1 .]"
1 49 THR 9.595 0.647 7 13 "[****.*+***-* **]"
1 50 GLY 1.532 0.170 6 0 "[ . 1 .]"
1 51 ASP 0.316 0.067 10 0 "[ . 1 .]"
1 52 LYS 10.810 0.786 13 15 [*****-******+**]
1 53 VAL 4.361 0.259 6 0 "[ . 1 .]"
1 54 ARG 4.878 0.378 5 0 "[ . 1 .]"
1 55 VAL 4.457 0.156 8 0 "[ . 1 .]"
1 56 GLU 1.130 0.184 10 0 "[ . 1 .]"
1 57 LEU 3.994 0.319 13 0 "[ . 1 .]"
1 58 THR 1.000 0.125 1 0 "[ . 1 .]"
1 60 TYR 1.208 0.125 1 0 "[ . 1 .]"
1 61 ASP 0.366 0.100 10 0 "[ . 1 .]"
1 62 LEU 1.959 0.199 12 0 "[ . 1 .]"
1 63 SER 1.443 0.213 8 0 "[ . 1 .]"
1 64 LYS 3.426 0.241 12 0 "[ . 1 .]"
1 65 GLY 2.675 0.223 2 0 "[ . 1 .]"
1 66 ARG 6.740 0.319 13 0 "[ . 1 .]"
1 67 ILE 6.973 0.350 13 0 "[ . 1 .]"
1 68 THR 9.331 0.527 8 6 "[ * *. +*1- *.]"
1 69 TYR 11.809 0.527 8 6 "[ * *. +*1- *.]"
1 70 ARG 1.800 0.164 1 0 "[ . 1 .]"
1 71 ALA 2.488 0.166 2 0 "[ . 1 .]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 4 GLU HA 1 5 ASP H 0.000 . 5.000 2.803 2.133 3.536 . 0 0 "[ . 1 .]" 1
2 1 5 ASP QB 1 6 SER H 0.000 . 6.000 2.779 1.673 3.905 . 0 0 "[ . 1 .]" 1
3 1 7 PHE H 1 8 GLU H 0.000 . 5.000 4.375 4.201 4.469 . 0 0 "[ . 1 .]" 1
4 1 7 PHE H 1 56 GLU HA 0.000 . 4.000 4.074 3.979 4.184 0.184 10 0 "[ . 1 .]" 1
5 1 7 PHE H 1 57 LEU H 0.000 . 3.500 2.766 2.326 3.217 . 0 0 "[ . 1 .]" 1
6 1 7 PHE H 1 57 LEU QB 0.000 . 6.000 3.058 1.878 3.772 . 0 0 "[ . 1 .]" 1
7 1 7 PHE HA 1 8 GLU H 0.000 . 5.000 2.321 2.140 2.661 . 0 0 "[ . 1 .]" 1
8 1 7 PHE QB 1 8 GLU H 0.000 . 6.000 2.907 1.920 3.667 . 0 0 "[ . 1 .]" 1
9 1 8 GLU H 1 8 GLU QG 0.000 . 5.000 2.496 1.670 4.075 . 0 0 "[ . 1 .]" 1
10 1 8 GLU H 1 8 GLU HA 0.000 . 3.000 2.974 2.951 3.003 0.003 8 0 "[ . 1 .]" 1
11 1 8 GLU H 1 9 MET QB 0.000 . 6.000 4.631 4.249 4.992 . 0 0 "[ . 1 .]" 1
12 1 9 MET H 1 54 ARG HA 0.000 . 5.000 4.356 4.050 4.926 . 0 0 "[ . 1 .]" 1
13 1 9 MET H 1 55 VAL H 0.000 . 3.500 3.197 2.882 3.477 . 0 0 "[ . 1 .]" 1
14 1 9 MET H 1 56 GLU HA 0.000 . 4.000 3.623 3.339 3.888 . 0 0 "[ . 1 .]" 1
15 1 9 MET H 1 57 LEU QD 0.000 . 7.000 4.323 3.487 4.794 . 0 0 "[ . 1 .]" 1
16 1 9 MET H 1 9 MET HA 0.000 . 3.000 2.922 2.917 2.927 . 0 0 "[ . 1 .]" 1
17 1 8 GLU HA 1 9 MET H 0.000 . 4.000 2.191 2.134 2.285 . 0 0 "[ . 1 .]" 1
18 1 10 GLU H 1 10 GLU HA 0.000 . 3.000 2.917 2.873 2.966 . 0 0 "[ . 1 .]" 1
19 1 9 MET HA 1 10 GLU H 0.000 . 3.000 2.168 2.141 2.249 . 0 0 "[ . 1 .]" 1
20 1 9 MET QG 1 10 GLU H 0.000 . 4.000 2.847 2.276 3.604 . 0 0 "[ . 1 .]" 1
21 1 10 GLU H 1 10 GLU QG 0.000 . 4.000 2.203 1.706 3.602 . 0 0 "[ . 1 .]" 1
22 1 10 GLU HA 1 11 GLY H 0.000 . 2.500 2.248 2.205 2.305 . 0 0 "[ . 1 .]" 1
23 1 11 GLY H 1 53 VAL H 0.000 . 3.000 3.048 3.016 3.089 0.089 12 0 "[ . 1 .]" 1
24 1 11 GLY H 1 53 VAL MG2 0.000 . 6.000 3.210 2.957 3.379 . 0 0 "[ . 1 .]" 1
25 1 10 GLU QB 1 11 GLY H 0.000 . 4.000 2.873 2.645 3.288 . 0 0 "[ . 1 .]" 1
26 1 11 GLY H 1 54 ARG HA 0.000 . 3.500 3.524 3.454 3.601 0.101 3 0 "[ . 1 .]" 1
27 1 11 GLY QA 1 12 THR H 0.000 . 4.000 2.287 2.252 2.316 . 0 0 "[ . 1 .]" 1
28 1 12 THR H 1 25 GLU H 0.000 . 3.000 3.100 2.918 3.189 0.189 7 0 "[ . 1 .]" 1
29 1 11 GLY H 1 12 THR H 0.000 . 4.600 4.395 4.354 4.423 . 0 0 "[ . 1 .]" 1
30 1 12 THR H 1 12 THR HA 0.000 . 3.000 3.000 2.987 3.013 0.013 14 0 "[ . 1 .]" 1
31 1 12 THR H 1 12 THR HB 0.000 . 4.000 2.689 2.441 2.995 . 0 0 "[ . 1 .]" 1
32 1 12 THR H 1 13 VAL H 0.000 . 5.000 4.545 4.468 4.600 . 0 0 "[ . 1 .]" 1
33 1 13 VAL H 1 51 ASP H 0.000 . 5.000 1.940 1.823 2.113 . 0 0 "[ . 1 .]" 1
34 1 12 THR MG 1 13 VAL H 0.000 . 4.500 2.215 1.953 2.460 . 0 0 "[ . 1 .]" 1
35 1 12 THR HA 1 13 VAL H 0.000 . 3.000 2.273 2.240 2.311 . 0 0 "[ . 1 .]" 1
36 1 13 VAL H 1 13 VAL MG2 0.000 . 4.500 2.400 2.299 2.525 . 0 0 "[ . 1 .]" 1
37 1 13 VAL H 1 13 VAL HB 0.000 . 3.000 2.590 2.527 2.667 . 0 0 "[ . 1 .]" 1
38 1 13 VAL H 1 52 LYS HA 0.000 . 3.000 3.715 3.633 3.786 0.786 13 15 [*****-******+**] 1
39 1 13 VAL H 1 53 VAL QG 0.000 . 7.500 3.576 3.406 3.707 . 0 0 "[ . 1 .]" 1
40 1 14 VAL H 1 15 ASP H 0.000 . 3.000 3.251 3.212 3.307 0.307 1 0 "[ . 1 .]" 1
41 1 14 VAL H 1 25 GLU H 0.000 . 4.000 3.638 3.411 3.824 . 0 0 "[ . 1 .]" 1
42 1 13 VAL HA 1 14 VAL H 0.000 . 2.800 2.258 2.201 2.315 . 0 0 "[ . 1 .]" 1
43 1 14 VAL H 1 14 VAL HB 0.000 . 3.000 3.282 3.134 3.447 0.447 3 0 "[ . 1 .]" 1
44 1 14 VAL H 1 14 VAL MG2 0.000 . 4.500 2.265 2.146 2.426 . 0 0 "[ . 1 .]" 1
45 1 14 VAL H 1 24 VAL HA 0.000 . 3.000 3.100 2.989 3.337 0.337 12 0 "[ . 1 .]" 1
46 1 15 ASP H 1 16 THR H 0.000 . 4.000 4.091 3.966 4.164 0.164 1 0 "[ . 1 .]" 1
47 1 15 ASP H 1 23 ARG H 0.000 . 3.600 3.701 3.611 3.819 0.219 11 0 "[ . 1 .]" 1
48 1 15 ASP H 1 23 ARG QB 0.000 . 5.000 4.415 4.281 4.525 . 0 0 "[ . 1 .]" 1
49 1 14 VAL HB 1 15 ASP H 0.000 . 4.000 4.174 4.111 4.221 0.221 11 0 "[ . 1 .]" 1
50 1 14 VAL MG1 1 15 ASP H 0.000 . 5.500 3.729 3.628 3.839 . 0 0 "[ . 1 .]" 1
51 1 15 ASP HA 1 16 THR H 0.000 . 2.800 2.252 2.222 2.310 . 0 0 "[ . 1 .]" 1
52 1 16 THR H 1 16 THR MG 0.000 . 4.500 2.222 1.702 3.002 . 0 0 "[ . 1 .]" 1
53 1 15 ASP QB 1 16 THR H 0.000 . 5.000 3.364 2.919 3.759 . 0 0 "[ . 1 .]" 1
54 1 16 THR HA 1 17 LEU H 0.000 . 2.800 2.132 2.059 2.196 . 0 0 "[ . 1 .]" 1
55 1 16 THR MG 1 17 LEU H 0.000 . 6.000 4.072 3.711 4.334 . 0 0 "[ . 1 .]" 1
56 1 17 LEU H 1 22 PHE HA 0.000 . 3.000 2.401 1.876 2.928 . 0 0 "[ . 1 .]" 1
57 1 18 PRO HA 1 19 ASN H 0.000 . 2.800 2.291 2.090 2.349 . 0 0 "[ . 1 .]" 1
58 1 19 ASN H 1 19 ASN HA 0.000 . 2.800 2.376 2.332 2.638 . 0 0 "[ . 1 .]" 1
59 1 20 THR H 1 20 THR HA 0.000 . 2.800 2.334 2.311 2.351 . 0 0 "[ . 1 .]" 1
60 1 20 THR H 1 20 THR HB 0.000 . 4.000 3.827 3.195 3.937 . 0 0 "[ . 1 .]" 1
61 1 20 THR H 1 21 MET H 0.000 . 2.800 2.810 2.550 3.013 0.213 5 0 "[ . 1 .]" 1
62 1 20 THR HA 1 21 MET H 0.000 . 3.000 2.583 2.523 2.716 . 0 0 "[ . 1 .]" 1
63 1 21 MET H 1 21 MET HA 0.000 . 3.000 2.992 2.962 3.022 0.022 5 0 "[ . 1 .]" 1
64 1 17 LEU H 1 21 MET H 0.000 . 4.000 3.925 3.768 4.079 0.079 1 0 "[ . 1 .]" 1
65 1 21 MET HA 1 22 PHE H 0.000 . 2.800 2.361 2.272 2.432 . 0 0 "[ . 1 .]" 1
66 1 22 PHE H 1 22 PHE QD 0.000 . 5.500 2.667 2.357 3.236 . 0 0 "[ . 1 .]" 1
67 1 22 PHE H 1 22 PHE HA 0.000 . 2.800 2.953 2.933 2.974 0.174 13 0 "[ . 1 .]" 1
68 1 22 PHE H 1 34 ALA H 0.000 . 3.000 3.255 3.107 3.514 0.514 5 1 "[ + 1 .]" 1
69 1 22 PHE H 1 34 ALA MB 0.000 . 6.000 4.328 4.025 4.555 . 0 0 "[ . 1 .]" 1
70 1 22 PHE H 1 35 HIS HA 0.000 . 3.500 3.511 2.904 3.651 0.151 1 0 "[ . 1 .]" 1
71 1 23 ARG H 1 24 VAL H 0.000 . 4.500 4.506 4.471 4.552 0.052 8 0 "[ . 1 .]" 1
72 1 14 VAL H 1 23 ARG H 0.000 . 4.500 4.479 4.331 4.617 0.117 11 0 "[ . 1 .]" 1
73 1 22 PHE QD 1 23 ARG H 0.000 . 6.000 4.327 3.689 4.479 . 0 0 "[ . 1 .]" 1
74 1 22 PHE HA 1 23 ARG H 0.000 . 2.800 2.417 2.315 2.513 . 0 0 "[ . 1 .]" 1
75 1 23 ARG H 1 23 ARG HA 0.000 . 3.000 3.000 2.977 3.026 0.026 10 0 "[ . 1 .]" 1
76 1 22 PHE QB 1 23 ARG H 0.000 . 4.000 2.644 2.407 2.812 . 0 0 "[ . 1 .]" 1
77 1 15 ASP QB 1 23 ARG H 0.000 . 5.000 2.262 1.556 3.113 . 0 0 "[ . 1 .]" 1
78 1 17 LEU MD1 1 23 ARG H 0.000 . 6.000 4.053 2.312 5.990 . 0 0 "[ . 1 .]" 1
79 1 23 ARG HA 1 24 VAL H 0.000 . 2.800 2.148 2.067 2.200 . 0 0 "[ . 1 .]" 1
80 1 24 VAL H 1 24 VAL HA 0.000 . 3.000 2.970 2.947 2.994 . 0 0 "[ . 1 .]" 1
81 1 24 VAL H 1 24 VAL HB 0.000 . 2.800 2.784 2.252 3.363 0.563 13 1 "[ . 1 + .]" 1
82 1 24 VAL H 1 32 VAL H 0.000 . 3.000 3.218 3.151 3.290 0.290 8 0 "[ . 1 .]" 1
83 1 24 VAL H 1 34 ALA H 0.000 . 4.000 3.698 2.988 4.099 0.099 2 0 "[ . 1 .]" 1
84 1 24 VAL H 1 24 VAL MG1 0.000 . 4.500 2.678 1.839 3.654 . 0 0 "[ . 1 .]" 1
85 1 24 VAL H 1 33 THR HA 0.000 . 4.000 3.060 2.629 3.415 . 0 0 "[ . 1 .]" 1
86 1 14 VAL MG2 1 25 GLU H 0.000 . 4.500 3.506 3.439 3.643 . 0 0 "[ . 1 .]" 1
87 1 24 VAL MG2 1 25 GLU H 0.000 . 4.500 3.070 2.204 4.231 . 0 0 "[ . 1 .]" 1
88 1 25 GLU HA 1 26 LEU H 0.000 . 2.800 1.950 1.926 1.966 . 0 0 "[ . 1 .]" 1
89 1 25 GLU QG 1 26 LEU H 0.000 . 4.600 3.849 3.510 4.167 . 0 0 "[ . 1 .]" 1
90 1 26 LEU H 1 26 LEU MD1 0.000 . 5.500 3.647 2.364 4.058 . 0 0 "[ . 1 .]" 1
91 1 26 LEU H 1 26 LEU MD2 0.000 . 5.500 3.982 3.679 4.246 . 0 0 "[ . 1 .]" 1
92 1 26 LEU H 1 26 LEU HG 0.000 . 2.800 2.910 2.770 2.960 0.160 4 0 "[ . 1 .]" 1
93 1 27 GLU H 1 27 GLU QG 0.000 . 4.000 2.881 2.004 4.001 0.001 14 0 "[ . 1 .]" 1
94 1 27 GLU H 1 27 GLU HA 0.000 . 3.000 2.704 2.682 2.716 . 0 0 "[ . 1 .]" 1
95 1 27 GLU H 1 28 ASN H 0.000 . 2.800 2.952 2.915 2.972 0.172 3 0 "[ . 1 .]" 1
96 1 28 ASN H 1 29 GLY H 0.000 . 2.800 2.799 2.779 2.814 0.014 7 0 "[ . 1 .]" 1
97 1 26 LEU QB 1 28 ASN H 0.000 . 4.000 3.526 3.488 3.579 . 0 0 "[ . 1 .]" 1
98 1 27 GLU QB 1 28 ASN H 0.000 . 4.500 3.557 3.077 3.763 . 0 0 "[ . 1 .]" 1
99 1 27 GLU HA 1 28 ASN H 0.000 . 4.000 3.313 3.287 3.356 . 0 0 "[ . 1 .]" 1
100 1 26 LEU QB 1 30 HIS H 0.000 . 4.000 3.025 2.756 3.161 . 0 0 "[ . 1 .]" 1
101 1 26 LEU H 1 30 HIS H 0.000 . 4.000 4.333 4.244 4.402 0.402 4 0 "[ . 1 .]" 1
102 1 29 GLY H 1 30 HIS H 0.000 . 2.800 2.347 2.245 2.454 . 0 0 "[ . 1 .]" 1
103 1 30 HIS QB 1 31 VAL H 0.000 . 5.000 2.947 2.613 3.458 . 0 0 "[ . 1 .]" 1
104 1 31 VAL H 1 31 VAL HB 0.000 . 2.800 2.778 2.524 2.938 0.138 7 0 "[ . 1 .]" 1
105 1 31 VAL H 1 31 VAL MG2 0.000 . 4.500 3.796 3.153 3.952 . 0 0 "[ . 1 .]" 1
106 1 25 GLU HA 1 32 VAL H 0.000 . 3.500 3.313 3.112 3.469 . 0 0 "[ . 1 .]" 1
107 1 31 VAL HA 1 32 VAL H 0.000 . 2.800 2.389 2.354 2.434 . 0 0 "[ . 1 .]" 1
108 1 32 VAL H 1 33 THR HA 0.000 . 5.000 4.823 4.739 4.890 . 0 0 "[ . 1 .]" 1
109 1 32 VAL H 1 32 VAL HB 0.000 . 4.000 3.006 2.825 3.166 . 0 0 "[ . 1 .]" 1
110 1 31 VAL MG1 1 32 VAL H 0.000 . 4.500 3.142 2.278 3.713 . 0 0 "[ . 1 .]" 1
111 1 32 VAL H 1 32 VAL MG2 0.000 . 4.500 2.631 2.375 3.056 . 0 0 "[ . 1 .]" 1
112 1 32 VAL H 1 32 VAL MG1 0.000 . 4.500 3.980 3.948 4.008 . 0 0 "[ . 1 .]" 1
113 1 33 THR H 1 33 THR HB 0.000 . 2.800 2.496 2.357 2.826 0.026 12 0 "[ . 1 .]" 1
114 1 33 THR H 1 64 LYS HA 0.000 . 2.800 2.762 2.664 2.886 0.086 4 0 "[ . 1 .]" 1
115 1 32 VAL HB 1 33 THR H 0.000 . 2.800 3.055 2.905 3.341 0.541 7 1 "[ . + 1 .]" 1
116 1 32 VAL H 1 33 THR H 0.000 . 4.500 4.401 4.362 4.435 . 0 0 "[ . 1 .]" 1
117 1 32 VAL MG1 1 33 THR H 0.000 . 6.000 1.613 1.518 1.752 . 0 0 "[ . 1 .]" 1
118 1 32 VAL MG2 1 33 THR H 0.000 . 6.500 3.757 3.500 3.935 . 0 0 "[ . 1 .]" 1
119 1 33 THR HA 1 34 ALA H 0.000 . 3.000 2.202 2.142 2.253 . 0 0 "[ . 1 .]" 1
120 1 23 ARG HA 1 34 ALA H 0.000 . 3.500 2.925 2.558 3.320 . 0 0 "[ . 1 .]" 1
121 1 24 VAL MG1 1 34 ALA H 0.000 . 5.500 4.499 3.957 4.948 . 0 0 "[ . 1 .]" 1
122 1 33 THR MG 1 34 ALA H 0.000 . 5.500 2.722 2.281 3.440 . 0 0 "[ . 1 .]" 1
123 1 35 HIS H 1 67 ILE H 0.000 . 2.800 2.890 2.828 2.939 0.139 4 0 "[ . 1 .]" 1
124 1 35 HIS H 1 66 ARG H 0.000 . 5.000 5.002 4.814 5.086 0.086 14 0 "[ . 1 .]" 1
125 1 35 HIS H 1 35 HIS HA 0.000 . 3.000 2.977 2.914 3.003 0.003 4 0 "[ . 1 .]" 1
126 1 34 ALA HA 1 35 HIS H 0.000 . 2.800 2.484 2.414 2.559 . 0 0 "[ . 1 .]" 1
127 1 34 ALA MB 1 35 HIS H 0.000 . 4.500 2.172 2.020 2.381 . 0 0 "[ . 1 .]" 1
128 1 35 HIS H 1 66 ARG HA 0.000 . 2.500 2.109 1.940 2.194 . 0 0 "[ . 1 .]" 1
129 1 35 HIS H 1 66 ARG QB 0.000 . 5.000 3.580 3.419 3.735 . 0 0 "[ . 1 .]" 1
130 1 35 HIS H 1 67 ILE QG 0.000 . 5.000 3.656 2.973 4.030 . 0 0 "[ . 1 .]" 1
131 1 35 HIS HA 1 36 ILE H 0.000 . 2.800 2.266 2.161 2.417 . 0 0 "[ . 1 .]" 1
132 1 36 ILE H 1 36 ILE HB 0.000 . 2.800 2.662 2.114 2.814 0.014 9 0 "[ . 1 .]" 1
133 1 36 ILE H 1 36 ILE MG 0.000 . 4.500 1.967 1.627 3.040 . 0 0 "[ . 1 .]" 1
134 1 20 THR MG 1 36 ILE H 0.000 . 5.500 4.324 3.976 4.488 . 0 0 "[ . 1 .]" 1
135 1 37 SER H 1 37 SER HA 0.000 . 2.800 2.858 2.766 2.952 0.152 9 0 "[ . 1 .]" 1
136 1 37 SER H 1 37 SER QB 0.000 . 3.800 2.349 2.097 2.590 . 0 0 "[ . 1 .]" 1
137 1 36 ILE HA 1 37 SER H 0.000 . 2.800 2.231 2.131 2.344 . 0 0 "[ . 1 .]" 1
138 1 36 ILE HB 1 37 SER H 0.000 . 4.500 4.141 3.879 4.408 . 0 0 "[ . 1 .]" 1
139 1 36 ILE QG 1 37 SER H 0.000 . 4.000 2.419 1.933 3.010 . 0 0 "[ . 1 .]" 1
140 1 36 ILE MG 1 37 SER H 0.000 . 6.000 3.634 2.977 4.187 . 0 0 "[ . 1 .]" 1
141 1 38 GLY H 1 39 LYS H 0.000 . 3.000 2.573 2.405 2.912 . 0 0 "[ . 1 .]" 1
142 1 37 SER HA 1 38 GLY H 0.000 . 2.800 2.504 2.188 2.815 0.015 9 0 "[ . 1 .]" 1
143 1 37 SER QB 1 38 GLY H 0.000 . 3.800 2.559 1.954 3.339 . 0 0 "[ . 1 .]" 1
144 1 38 GLY QA 1 39 LYS H 0.000 . 3.800 2.856 2.669 2.931 . 0 0 "[ . 1 .]" 1
145 1 39 LYS H 1 39 LYS HA 0.000 . 2.800 2.795 2.766 2.885 0.085 3 0 "[ . 1 .]" 1
146 1 39 LYS H 1 39 LYS QB 0.000 . 3.800 2.392 2.137 2.597 . 0 0 "[ . 1 .]" 1
147 1 37 SER QB 1 39 LYS H 0.000 . 4.500 2.553 2.188 3.796 . 0 0 "[ . 1 .]" 1
148 1 39 LYS H 1 40 MET H 0.000 . 3.000 2.864 2.722 3.007 0.007 10 0 "[ . 1 .]" 1
149 1 40 MET H 1 40 MET HA 0.000 . 3.000 2.859 2.796 2.931 . 0 0 "[ . 1 .]" 1
150 1 39 LYS HA 1 40 MET H 0.000 . 4.000 3.522 3.410 3.570 . 0 0 "[ . 1 .]" 1
151 1 39 LYS QB 1 40 MET H 0.000 . 4.000 2.498 2.054 3.002 . 0 0 "[ . 1 .]" 1
152 1 40 MET H 1 40 MET QG 0.000 . 4.000 2.527 1.674 3.733 . 0 0 "[ . 1 .]" 1
153 1 38 GLY QA 1 40 MET H 0.000 . 5.000 3.752 3.105 4.506 . 0 0 "[ . 1 .]" 1
154 1 41 ARG H 1 41 ARG HA 0.000 . 2.800 2.836 2.778 2.908 0.108 14 0 "[ . 1 .]" 1
155 1 41 ARG H 1 41 ARG QB 0.000 . 3.500 2.164 2.044 2.535 . 0 0 "[ . 1 .]" 1
156 1 41 ARG H 1 41 ARG QG 0.000 . 4.000 3.193 1.956 3.829 . 0 0 "[ . 1 .]" 1
157 1 40 MET HA 1 41 ARG H 0.000 . 3.500 3.521 3.421 3.561 0.061 10 0 "[ . 1 .]" 1
158 1 42 LYS H 1 42 LYS HA 0.000 . 2.800 2.886 2.796 2.935 0.135 9 0 "[ . 1 .]" 1
159 1 42 LYS H 1 42 LYS QB 0.000 . 3.500 2.247 2.087 2.534 . 0 0 "[ . 1 .]" 1
160 1 42 LYS H 1 42 LYS QG 0.000 . 4.000 2.997 1.909 3.898 . 0 0 "[ . 1 .]" 1
161 1 41 ARG HA 1 42 LYS H 0.000 . 3.500 3.511 3.427 3.558 0.058 11 0 "[ . 1 .]" 1
162 1 42 LYS H 1 43 ASN H 0.000 . 3.500 2.488 2.255 2.811 . 0 0 "[ . 1 .]" 1
163 1 42 LYS HA 1 43 ASN H 0.000 . 3.500 3.478 3.273 3.553 0.053 4 0 "[ . 1 .]" 1
164 1 42 LYS QB 1 43 ASN H 0.000 . 4.000 2.744 2.313 3.294 . 0 0 "[ . 1 .]" 1
165 1 42 LYS H 1 44 TYR H 0.000 . 4.000 3.957 3.483 4.289 0.289 9 0 "[ . 1 .]" 1
166 1 43 ASN H 1 44 TYR H 0.000 . 3.000 2.579 2.004 2.909 . 0 0 "[ . 1 .]" 1
167 1 44 TYR H 1 44 TYR HA 0.000 . 2.800 2.520 2.311 2.911 0.111 1 0 "[ . 1 .]" 1
168 1 43 ASN QB 1 44 TYR H 0.000 . 4.500 3.411 2.528 3.815 . 0 0 "[ . 1 .]" 1
169 1 45 ILE H 1 45 ILE HA 0.000 . 2.800 2.828 2.370 2.960 0.160 15 0 "[ . 1 .]" 1
170 1 44 TYR HA 1 45 ILE H 0.000 . 2.800 2.609 2.147 3.215 0.415 9 0 "[ . 1 .]" 1
171 1 45 ILE H 1 45 ILE HB 0.000 . 2.800 2.566 2.039 3.052 0.252 10 0 "[ . 1 .]" 1
172 1 45 ILE H 1 45 ILE QG 0.000 . 3.800 2.678 1.725 3.633 . 0 0 "[ . 1 .]" 1
173 1 45 ILE HA 1 46 ARG H 0.000 . 2.800 2.303 2.130 2.720 . 0 0 "[ . 1 .]" 1
174 1 46 ARG H 1 46 ARG QB 0.000 . 3.500 2.615 2.071 3.212 . 0 0 "[ . 1 .]" 1
175 1 45 ILE MG 1 46 ARG H 0.000 . 5.000 2.849 1.689 4.069 . 0 0 "[ . 1 .]" 1
176 1 46 ARG HA 1 47 ILE H 0.000 . 2.500 2.255 2.130 2.458 . 0 0 "[ . 1 .]" 1
177 1 47 ILE H 1 47 ILE HA 0.000 . 3.000 2.946 2.863 2.989 . 0 0 "[ . 1 .]" 1
178 1 47 ILE H 1 47 ILE HB 0.000 . 2.800 2.759 2.365 3.484 0.684 15 1 "[ . 1 +]" 1
179 1 47 ILE HA 1 48 LEU H 0.000 . 2.500 2.225 2.161 2.263 . 0 0 "[ . 1 .]" 1
180 1 48 LEU H 1 48 LEU QB 0.000 . 3.500 2.485 2.211 3.203 . 0 0 "[ . 1 .]" 1
181 1 47 ILE MG 1 48 LEU H 0.000 . 5.000 3.017 2.043 4.083 . 0 0 "[ . 1 .]" 1
182 1 48 LEU H 1 48 LEU MD1 0.000 . 5.000 3.536 2.097 4.160 . 0 0 "[ . 1 .]" 1
183 1 49 THR H 1 49 THR HB 0.000 . 2.500 2.499 2.329 2.584 0.084 14 0 "[ . 1 .]" 1
184 1 48 LEU QB 1 49 THR H 0.000 . 4.500 2.922 2.082 3.876 . 0 0 "[ . 1 .]" 1
185 1 50 GLY H 1 51 ASP H 0.000 . 2.800 2.818 2.785 2.867 0.067 10 0 "[ . 1 .]" 1
186 1 13 VAL HB 1 50 GLY H 0.000 . 2.800 2.857 2.595 2.970 0.170 6 0 "[ . 1 .]" 1
187 1 49 THR MG 1 50 GLY H 0.000 . 4.500 2.865 2.026 3.626 . 0 0 "[ . 1 .]" 1
188 1 13 VAL HB 1 51 ASP H 0.000 . 3.000 1.784 1.676 1.880 . 0 0 "[ . 1 .]" 1
189 1 13 VAL MG2 1 51 ASP H 0.000 . 6.500 2.877 2.652 3.085 . 0 0 "[ . 1 .]" 1
190 1 52 LYS H 1 52 LYS QB 0.000 . 3.500 2.204 2.114 2.327 . 0 0 "[ . 1 .]" 1
191 1 51 ASP HA 1 52 LYS H 0.000 . 2.500 2.241 2.206 2.273 . 0 0 "[ . 1 .]" 1
192 1 51 ASP QB 1 52 LYS H 0.000 . 4.000 3.513 3.333 3.794 . 0 0 "[ . 1 .]" 1
193 1 52 LYS HA 1 53 VAL H 0.000 . 2.500 2.183 2.148 2.218 . 0 0 "[ . 1 .]" 1
194 1 12 THR HA 1 53 VAL H 0.000 . 2.800 2.987 2.913 3.059 0.259 6 0 "[ . 1 .]" 1
195 1 53 VAL H 1 53 VAL MG1 0.000 . 4.500 2.773 2.668 2.894 . 0 0 "[ . 1 .]" 1
196 1 53 VAL H 1 53 VAL MG2 0.000 . 4.000 1.893 1.688 2.347 . 0 0 "[ . 1 .]" 1
197 1 53 VAL H 1 53 VAL HB 0.000 . 4.000 3.822 3.730 3.945 . 0 0 "[ . 1 .]" 1
198 1 52 LYS QG 1 53 VAL H 0.000 . 4.500 3.759 3.117 4.098 . 0 0 "[ . 1 .]" 1
199 1 53 VAL H 1 53 VAL HA 0.000 . 3.000 3.001 2.983 3.008 0.008 8 0 "[ . 1 .]" 1
200 1 53 VAL HB 1 54 ARG H 0.000 . 2.800 2.209 1.959 2.477 . 0 0 "[ . 1 .]" 1
201 1 54 ARG H 1 54 ARG QB 0.000 . 3.000 2.333 2.211 2.392 . 0 0 "[ . 1 .]" 1
202 1 53 VAL HA 1 54 ARG H 0.000 . 2.800 2.426 2.313 2.551 . 0 0 "[ . 1 .]" 1
203 1 53 VAL MG1 1 54 ARG H 0.000 . 5.500 3.631 3.485 3.798 . 0 0 "[ . 1 .]" 1
204 1 53 VAL H 1 54 ARG H 0.000 . 5.000 4.534 4.498 4.568 . 0 0 "[ . 1 .]" 1
205 1 54 ARG H 1 69 TYR H 0.000 . 3.500 3.793 3.752 3.878 0.378 5 0 "[ . 1 .]" 1
206 1 54 ARG H 1 70 ARG HA 0.000 . 4.500 3.681 3.356 3.985 . 0 0 "[ . 1 .]" 1
207 1 10 GLU HA 1 55 VAL H 0.000 . 2.800 2.732 2.245 2.866 0.066 5 0 "[ . 1 .]" 1
208 1 55 VAL H 1 55 VAL HA 0.000 . 2.800 2.948 2.937 2.956 0.156 8 0 "[ . 1 .]" 1
209 1 55 VAL H 1 55 VAL HB 0.000 . 2.800 2.740 2.524 2.862 0.062 7 0 "[ . 1 .]" 1
210 1 54 ARG QB 1 55 VAL H 0.000 . 5.800 3.730 3.398 3.913 . 0 0 "[ . 1 .]" 1
211 1 54 ARG HA 1 55 VAL H 0.000 . 2.500 2.132 2.111 2.160 . 0 0 "[ . 1 .]" 1
212 1 54 ARG QG 1 55 VAL H 0.000 . 4.500 3.242 2.886 4.011 . 0 0 "[ . 1 .]" 1
213 1 11 GLY H 1 55 VAL H 0.000 . 5.000 3.785 3.615 3.984 . 0 0 "[ . 1 .]" 1
214 1 56 GLU H 1 66 ARG H 0.000 . 2.800 2.438 2.309 2.710 . 0 0 "[ . 1 .]" 1
215 1 55 VAL HA 1 56 GLU H 0.000 . 2.500 2.147 2.088 2.205 . 0 0 "[ . 1 .]" 1
216 1 55 VAL H 1 56 GLU H 0.000 . 5.000 4.495 4.383 4.538 . 0 0 "[ . 1 .]" 1
217 1 56 GLU H 1 56 GLU QB 0.000 . 3.800 2.400 2.229 2.658 . 0 0 "[ . 1 .]" 1
218 1 56 GLU H 1 56 GLU QG 0.000 . 5.000 3.401 2.191 4.046 . 0 0 "[ . 1 .]" 1
219 1 56 GLU H 1 58 THR MG 0.000 . 6.500 5.512 5.434 5.575 . 0 0 "[ . 1 .]" 1
220 1 55 VAL MG1 1 56 GLU H 0.000 . 5.000 2.408 1.851 2.963 . 0 0 "[ . 1 .]" 1
221 1 55 VAL MG2 1 56 GLU H 0.000 . 5.500 4.146 3.957 4.321 . 0 0 "[ . 1 .]" 1
222 1 56 GLU H 1 67 ILE HA 0.000 . 4.500 3.998 3.792 4.248 . 0 0 "[ . 1 .]" 1
223 1 8 GLU HA 1 57 LEU H 0.000 . 4.000 3.740 3.412 4.037 0.037 11 0 "[ . 1 .]" 1
224 1 56 GLU HA 1 57 LEU H 0.000 . 2.500 2.141 2.116 2.163 . 0 0 "[ . 1 .]" 1
225 1 56 GLU QB 1 57 LEU H 0.000 . 5.000 3.594 3.173 3.863 . 0 0 "[ . 1 .]" 1
226 1 57 LEU H 1 57 LEU HG 0.000 . 2.800 2.335 1.873 2.815 0.015 6 0 "[ . 1 .]" 1
227 1 57 LEU HA 1 58 THR H 0.000 . 2.500 2.192 2.079 2.334 . 0 0 "[ . 1 .]" 1
228 1 57 LEU QB 1 58 THR H 0.000 . 4.500 2.921 2.592 3.241 . 0 0 "[ . 1 .]" 1
229 1 58 THR H 1 62 LEU MD1 0.000 . 6.000 5.022 4.873 5.193 . 0 0 "[ . 1 .]" 1
230 1 58 THR H 1 65 GLY QA 0.000 . 4.500 3.182 2.617 3.618 . 0 0 "[ . 1 .]" 1
231 1 60 TYR H 1 61 ASP H 0.000 . 2.500 2.459 2.171 2.600 0.100 10 0 "[ . 1 .]" 1
232 1 58 THR HB 1 60 TYR H 0.000 . 2.800 2.848 2.682 2.925 0.125 1 0 "[ . 1 .]" 1
233 1 61 ASP H 1 61 ASP HA 0.000 . 2.900 2.706 2.337 2.894 . 0 0 "[ . 1 .]" 1
234 1 62 LEU H 1 62 LEU HA 0.000 . 2.900 2.806 2.726 2.965 0.065 12 0 "[ . 1 .]" 1
235 1 62 LEU H 1 62 LEU QB 0.000 . 3.500 2.678 2.414 3.035 . 0 0 "[ . 1 .]" 1
236 1 62 LEU H 1 62 LEU HG 0.000 . 2.500 2.319 1.690 2.672 0.172 5 0 "[ . 1 .]" 1
237 1 62 LEU QB 1 63 SER H 0.000 . 4.500 2.620 2.172 3.049 . 0 0 "[ . 1 .]" 1
238 1 63 SER H 1 63 SER QB 0.000 . 3.500 2.502 2.152 2.849 . 0 0 "[ . 1 .]" 1
239 1 63 SER H 1 64 LYS H 0.000 . 2.800 2.442 1.774 2.695 . 0 0 "[ . 1 .]" 1
240 1 64 LYS H 1 64 LYS QG 0.000 . 3.500 2.669 2.341 2.857 . 0 0 "[ . 1 .]" 1
241 1 64 LYS H 1 64 LYS QD 0.000 . 4.500 4.022 3.743 4.152 . 0 0 "[ . 1 .]" 1
242 1 33 THR H 1 65 GLY H 0.000 . 4.000 3.803 3.561 3.987 . 0 0 "[ . 1 .]" 1
243 1 34 ALA HA 1 65 GLY H 0.000 . 2.800 2.978 2.944 3.023 0.223 2 0 "[ . 1 .]" 1
244 1 64 LYS HA 1 65 GLY H 0.000 . 2.500 2.178 2.139 2.223 . 0 0 "[ . 1 .]" 1
245 1 34 ALA MB 1 65 GLY H 0.000 . 5.500 3.830 3.348 4.285 . 0 0 "[ . 1 .]" 1
246 1 57 LEU HA 1 66 ARG H 0.000 . 4.000 4.209 4.131 4.319 0.319 13 0 "[ . 1 .]" 1
247 1 65 GLY QA 1 66 ARG H 0.000 . 3.800 2.287 2.259 2.327 . 0 0 "[ . 1 .]" 1
248 1 66 ARG H 1 66 ARG QG 0.000 . 4.000 2.121 1.818 3.484 . 0 0 "[ . 1 .]" 1
249 1 66 ARG HA 1 67 ILE H 0.000 . 2.500 2.401 2.317 2.464 . 0 0 "[ . 1 .]" 1
250 1 66 ARG QB 1 67 ILE H 0.000 . 3.500 2.586 2.399 3.169 . 0 0 "[ . 1 .]" 1
251 1 36 ILE HA 1 67 ILE H 0.000 . 3.500 3.707 3.585 3.850 0.350 13 0 "[ . 1 .]" 1
252 1 67 ILE H 1 68 THR MG 0.000 . 6.500 4.245 3.743 4.816 . 0 0 "[ . 1 .]" 1
253 1 54 ARG H 1 68 THR H 0.000 . 3.500 3.047 2.889 3.230 . 0 0 "[ . 1 .]" 1
254 1 54 ARG QB 1 68 THR H 0.000 . 5.000 3.082 2.821 3.328 . 0 0 "[ . 1 .]" 1
255 1 55 VAL HA 1 68 THR H 0.000 . 4.000 4.029 3.632 4.105 0.105 5 0 "[ . 1 .]" 1
256 1 68 THR H 1 69 TYR H 0.000 . 2.500 2.994 2.971 3.027 0.527 8 6 "[ * *. +*1- *.]" 1
257 1 67 ILE HA 1 68 THR H 0.000 . 2.500 2.244 2.218 2.290 . 0 0 "[ . 1 .]" 1
258 1 67 ILE MG 1 68 THR H 0.000 . 5.000 2.091 1.935 2.536 . 0 0 "[ . 1 .]" 1
259 1 67 ILE HB 1 68 THR H 0.000 . 5.500 4.176 4.106 4.266 . 0 0 "[ . 1 .]" 1
260 1 67 ILE MG 1 69 TYR H 0.000 . 4.500 2.794 2.718 2.903 . 0 0 "[ . 1 .]" 1
261 1 70 ARG H 1 71 ALA H 0.000 . 5.000 4.449 4.374 4.554 . 0 0 "[ . 1 .]" 1
262 1 70 ARG H 1 71 ALA MB 0.000 . 6.000 4.907 4.741 5.056 . 0 0 "[ . 1 .]" 1
263 1 69 TYR QB 1 70 ARG H 0.000 . 5.000 3.816 3.664 4.031 . 0 0 "[ . 1 .]" 1
264 1 70 ARG H 1 70 ARG HA 0.000 . 2.800 2.920 2.883 2.964 0.164 1 0 "[ . 1 .]" 1
265 1 71 ALA H 1 71 ALA HA 0.000 . 2.800 2.951 2.933 2.966 0.166 2 0 "[ . 1 .]" 1
266 1 70 ARG HA 1 71 ALA H 0.000 . 2.500 2.244 2.197 2.266 . 0 0 "[ . 1 .]" 1
267 1 53 VAL HA 1 71 ALA H 0.000 . 3.500 3.417 3.082 3.557 0.057 4 0 "[ . 1 .]" 1
268 1 52 LYS QB 1 71 ALA H 0.000 . 4.000 2.957 2.690 3.298 . 0 0 "[ . 1 .]" 1
269 1 7 PHE HA 1 8 GLU HA 0.000 . 4.500 4.415 4.339 4.505 0.005 15 0 "[ . 1 .]" 1
270 1 8 GLU HA 1 56 GLU HA 0.000 . 3.000 2.557 2.174 2.922 . 0 0 "[ . 1 .]" 1
271 1 9 MET HA 1 9 MET QG 0.000 . 4.000 2.508 2.103 2.925 . 0 0 "[ . 1 .]" 1
272 1 9 MET HA 1 9 MET ME 0.000 . 5.500 3.856 3.133 4.141 . 0 0 "[ . 1 .]" 1
273 1 10 GLU HA 1 54 ARG HA 0.000 . 2.300 2.180 2.161 2.214 . 0 0 "[ . 1 .]" 1
274 1 10 GLU HA 1 54 ARG QG 0.000 . 4.000 3.370 3.198 3.562 . 0 0 "[ . 1 .]" 1
275 1 10 GLU HA 1 10 GLU QG 0.000 . 3.500 2.475 2.175 2.635 . 0 0 "[ . 1 .]" 1
276 1 11 GLY QA 1 26 LEU HA 0.000 . 3.400 3.252 3.125 3.419 0.019 1 0 "[ . 1 .]" 1
277 1 11 GLY QA 1 26 LEU MD2 0.000 . 5.500 2.107 1.829 2.776 . 0 0 "[ . 1 .]" 1
278 1 12 THR HA 1 52 LYS HA 0.000 . 2.300 2.215 2.170 2.291 . 0 0 "[ . 1 .]" 1
279 1 13 VAL HA 1 24 VAL HA 0.000 . 2.300 2.226 2.060 2.407 0.107 10 0 "[ . 1 .]" 1
280 1 13 VAL HA 1 13 VAL HB 0.000 . 3.000 3.058 3.030 3.078 0.078 1 0 "[ . 1 .]" 1
281 1 14 VAL HA 1 15 ASP HA 0.000 . 5.000 4.259 4.227 4.296 . 0 0 "[ . 1 .]" 1
282 1 14 VAL HA 1 14 VAL HB 0.000 . 3.000 2.936 2.856 2.987 . 0 0 "[ . 1 .]" 1
283 1 15 ASP HA 1 16 THR HA 0.000 . 4.500 4.450 4.438 4.472 . 0 0 "[ . 1 .]" 1
284 1 15 ASP HA 1 16 THR MG 0.000 . 5.500 3.501 3.190 3.771 . 0 0 "[ . 1 .]" 1
285 1 15 ASP QB 1 23 ARG QB 0.000 . 5.000 1.808 1.750 2.003 . 0 0 "[ . 1 .]" 1
286 1 16 THR HA 1 16 THR HB 0.000 . 2.500 2.494 2.374 2.642 0.142 10 0 "[ . 1 .]" 1
287 1 16 THR HA 1 22 PHE HA 0.000 . 2.500 2.762 2.658 2.878 0.378 12 0 "[ . 1 .]" 1
288 1 16 THR HA 1 22 PHE QB 0.000 . 6.000 3.584 3.211 4.068 . 0 0 "[ . 1 .]" 1
289 1 16 THR HA 1 17 LEU HA 0.000 . 4.500 4.398 4.368 4.443 . 0 0 "[ . 1 .]" 1
290 1 17 LEU HA 1 17 LEU HG 0.000 . 3.000 2.922 2.165 3.540 0.540 10 2 "[ .- + .]" 1
291 1 17 LEU HA 1 17 LEU MD2 0.000 . 4.000 2.155 1.933 3.191 . 0 0 "[ . 1 .]" 1
292 1 18 PRO HA 1 19 ASN HA 0.000 . 4.500 4.536 4.395 4.578 0.078 9 0 "[ . 1 .]" 1
293 1 20 THR HA 1 21 MET HA 0.000 . 5.000 4.370 4.320 4.404 . 0 0 "[ . 1 .]" 1
294 1 21 MET HA 1 35 HIS HA 0.000 . 3.000 3.024 2.878 3.102 0.102 10 0 "[ . 1 .]" 1
295 1 21 MET HA 1 21 MET QG 0.000 . 4.000 2.500 2.127 3.363 . 0 0 "[ . 1 .]" 1
296 1 21 MET HA 1 35 HIS QB 0.000 . 5.500 3.444 2.760 4.213 . 0 0 "[ . 1 .]" 1
297 1 17 LEU QB 1 22 PHE HA 0.000 . 5.500 3.056 2.756 3.767 . 0 0 "[ . 1 .]" 1
298 1 23 ARG HA 1 33 THR HA 0.000 . 2.800 2.149 2.106 2.235 . 0 0 "[ . 1 .]" 1
299 1 23 ARG HA 1 23 ARG QD 0.000 . 5.000 3.924 2.127 4.455 . 0 0 "[ . 1 .]" 1
300 1 17 LEU HG 1 23 ARG HA 0.000 . 5.000 4.934 4.507 5.210 0.210 1 0 "[ . 1 .]" 1
301 1 24 VAL HA 1 24 VAL HB 0.000 . 3.000 2.730 2.502 3.053 0.053 12 0 "[ . 1 .]" 1
302 1 13 VAL MG1 1 24 VAL HA 0.000 . 6.500 3.626 3.457 3.858 . 0 0 "[ . 1 .]" 1
303 1 13 VAL MG2 1 24 VAL HA 0.000 . 6.500 3.383 2.898 3.733 . 0 0 "[ . 1 .]" 1
304 1 13 VAL MG2 1 24 VAL MG1 0.000 . 5.500 3.590 2.242 3.995 . 0 0 "[ . 1 .]" 1
305 1 25 GLU HA 1 31 VAL HA 0.000 . 2.300 2.562 2.491 2.626 0.326 13 0 "[ . 1 .]" 1
306 1 25 GLU HA 1 25 GLU QG 0.000 . 3.500 2.374 2.197 3.314 . 0 0 "[ . 1 .]" 1
307 1 23 ARG HG3 1 25 GLU HA 0.000 . 5.500 5.006 4.032 5.751 0.251 14 0 "[ . 1 .]" 1
308 1 23 ARG HG2 1 25 GLU HA 0.000 . 5.000 4.453 4.034 5.128 0.128 10 0 "[ . 1 .]" 1
309 1 25 GLU HA 1 26 LEU HA 0.000 . 4.500 4.355 4.337 4.375 . 0 0 "[ . 1 .]" 1
310 1 26 LEU HA 1 26 LEU HG 0.000 . 3.000 2.803 2.532 3.041 0.041 11 0 "[ . 1 .]" 1
311 1 26 LEU HA 1 26 LEU MD2 0.000 . 4.500 2.255 1.954 3.180 . 0 0 "[ . 1 .]" 1
312 1 26 LEU MD1 1 55 VAL MG1 0.000 . 6.500 3.033 2.615 3.548 . 0 0 "[ . 1 .]" 1
313 1 28 ASN HA 1 29 GLY QA 0.000 . 6.000 4.107 4.101 4.110 . 0 0 "[ . 1 .]" 1
314 1 29 GLY QA 1 30 HIS HA 0.000 . 6.000 4.077 4.073 4.085 . 0 0 "[ . 1 .]" 1
315 1 27 GLU HA 1 29 GLY QA 0.000 . 6.000 4.151 4.100 4.211 . 0 0 "[ . 1 .]" 1
316 1 30 HIS HA 1 30 HIS HD1 0.000 . 2.800 2.222 1.695 2.747 . 0 0 "[ . 1 .]" 1
317 1 30 HIS HA 1 32 VAL MG2 0.000 . 6.500 4.629 4.395 4.849 . 0 0 "[ . 1 .]" 1
318 1 31 VAL HA 1 31 VAL HB 0.000 . 2.900 2.801 2.630 3.062 0.162 2 0 "[ . 1 .]" 1
319 1 25 GLU QB 1 31 VAL HA 0.000 . 6.000 4.386 3.954 4.562 . 0 0 "[ . 1 .]" 1
320 1 32 VAL HA 1 32 VAL HB 0.000 . 2.500 2.957 2.932 2.978 0.478 15 0 "[ . 1 .]" 1
321 1 32 VAL HA 1 33 THR HA 0.000 . 4.500 4.382 4.332 4.428 . 0 0 "[ . 1 .]" 1
322 1 32 VAL HA 1 33 THR HB 0.000 . 5.000 4.357 4.030 4.848 . 0 0 "[ . 1 .]" 1
323 1 33 THR HA 1 33 THR HB 0.000 . 2.800 3.024 2.949 3.067 0.267 9 0 "[ . 1 .]" 1
324 1 33 THR HA 1 34 ALA HA 0.000 . 5.000 4.424 4.392 4.447 . 0 0 "[ . 1 .]" 1
325 1 33 THR HB 1 64 LYS HA 0.000 . 3.500 2.909 2.579 3.358 . 0 0 "[ . 1 .]" 1
326 1 33 THR HB 1 64 LYS QG 0.000 . 4.500 3.447 2.962 4.158 . 0 0 "[ . 1 .]" 1
327 1 34 ALA HA 1 64 LYS HA 0.000 . 4.500 4.563 4.459 4.601 0.101 3 0 "[ . 1 .]" 1
328 1 34 ALA HA 1 66 ARG HA 0.000 . 2.800 3.012 2.931 3.073 0.273 2 0 "[ . 1 .]" 1
329 1 32 VAL MG1 1 34 ALA MB 0.000 . 6.500 3.850 3.248 4.303 . 0 0 "[ . 1 .]" 1
330 1 35 HIS HA 1 35 HIS HD2 0.000 . 4.000 3.429 2.265 4.117 0.117 5 0 "[ . 1 .]" 1
331 1 35 HIS HA 1 36 ILE HA 0.000 . 5.000 4.376 4.326 4.420 . 0 0 "[ . 1 .]" 1
332 1 22 PHE QD 1 35 HIS HA 0.000 . 4.500 2.448 2.345 2.711 . 0 0 "[ . 1 .]" 1
333 1 35 HIS HA 1 36 ILE HB 0.000 . 5.000 4.387 4.085 4.596 . 0 0 "[ . 1 .]" 1
334 1 35 HIS HA 1 36 ILE MG 0.000 . 6.000 3.914 3.556 4.885 . 0 0 "[ . 1 .]" 1
335 1 36 ILE HA 1 36 ILE HB 0.000 . 2.500 2.544 2.443 2.813 0.313 14 0 "[ . 1 .]" 1
336 1 36 ILE HA 1 36 ILE QG 0.000 . 3.500 2.348 2.099 2.533 . 0 0 "[ . 1 .]" 1
337 1 38 GLY QA 1 41 ARG QB 0.000 . 4.500 2.617 2.186 3.466 . 0 0 "[ . 1 .]" 1
338 1 38 GLY QA 1 41 ARG QG 0.000 . 6.000 3.714 2.434 4.424 . 0 0 "[ . 1 .]" 1
339 1 38 GLY QA 1 39 LYS HA 0.000 . 5.500 4.143 4.054 4.216 . 0 0 "[ . 1 .]" 1
340 1 39 LYS HA 1 42 LYS QB 0.000 . 4.500 2.913 2.180 3.535 . 0 0 "[ . 1 .]" 1
341 1 39 LYS HA 1 40 MET HA 0.000 . 5.000 4.769 4.665 4.846 . 0 0 "[ . 1 .]" 1
342 1 40 MET HA 1 43 ASN QB 0.000 . 3.500 2.636 2.130 3.160 . 0 0 "[ . 1 .]" 1
343 1 40 MET HA 1 40 MET QG 0.000 . 3.500 2.792 2.163 3.327 . 0 0 "[ . 1 .]" 1
344 1 40 MET HA 1 41 ARG HA 0.000 . 5.000 4.801 4.677 4.882 . 0 0 "[ . 1 .]" 1
345 1 41 ARG HA 1 42 LYS HA 0.000 . 5.000 4.704 4.633 4.828 . 0 0 "[ . 1 .]" 1
346 1 41 ARG HA 1 41 ARG QG 0.000 . 3.500 2.351 2.150 3.150 . 0 0 "[ . 1 .]" 1
347 1 41 ARG HA 1 41 ARG QD 0.000 . 5.000 3.572 2.257 4.072 . 0 0 "[ . 1 .]" 1
348 1 42 LYS HA 1 43 ASN HA 0.000 . 5.000 4.670 4.573 4.821 . 0 0 "[ . 1 .]" 1
349 1 42 LYS HA 1 42 LYS QG 0.000 . 3.500 2.379 2.109 3.081 . 0 0 "[ . 1 .]" 1
350 1 42 LYS HA 1 42 LYS QE 0.000 . 6.000 4.273 3.204 4.765 . 0 0 "[ . 1 .]" 1
351 1 43 ASN HA 1 44 TYR HA 0.000 . 5.000 4.897 4.420 5.268 0.268 4 0 "[ . 1 .]" 1
352 1 45 ILE HA 1 45 ILE HB 0.000 . 3.000 2.995 2.730 3.058 0.058 8 0 "[ . 1 .]" 1
353 1 45 ILE HA 1 45 ILE QG 0.000 . 3.500 2.498 2.168 3.089 . 0 0 "[ . 1 .]" 1
354 1 36 ILE MD 1 46 ARG HA 0.000 . 6.500 5.053 3.622 5.540 . 0 0 "[ . 1 .]" 1
355 1 47 ILE HA 1 47 ILE HB 0.000 . 3.000 2.775 2.470 3.058 0.058 11 0 "[ . 1 .]" 1
356 1 47 ILE HA 1 47 ILE QG 0.000 . 3.800 2.634 2.166 3.308 . 0 0 "[ . 1 .]" 1
357 1 48 LEU HA 1 48 LEU HG 0.000 . 3.500 3.091 2.184 3.641 0.141 2 0 "[ . 1 .]" 1
358 1 49 THR HA 1 49 THR HB 0.000 . 3.000 2.859 2.536 3.094 0.094 13 0 "[ . 1 .]" 1
359 1 13 VAL HB 1 49 THR HA 0.000 . 3.500 4.068 3.957 4.147 0.647 7 13 "[****.*+***-* **]" 1
360 1 13 VAL MG1 1 49 THR HA 0.000 . 4.500 3.600 3.532 3.690 . 0 0 "[ . 1 .]" 1
361 1 13 VAL MG2 1 49 THR HA 0.000 . 6.500 5.411 5.320 5.491 . 0 0 "[ . 1 .]" 1
362 1 48 LEU HA 1 49 THR HA 0.000 . 4.500 4.372 4.336 4.428 . 0 0 "[ . 1 .]" 1
363 1 12 THR MG 1 50 GLY QA 0.000 . 4.500 2.168 1.992 2.439 . 0 0 "[ . 1 .]" 1
364 1 50 GLY QA 1 51 ASP HA 0.000 . 5.500 3.977 3.965 3.986 . 0 0 "[ . 1 .]" 1
365 1 49 THR HA 1 50 GLY QA 0.000 . 5.500 3.870 3.801 3.931 . 0 0 "[ . 1 .]" 1
366 1 51 ASP HA 1 52 LYS QB 0.000 . 5.500 4.275 4.155 4.402 . 0 0 "[ . 1 .]" 1
367 1 12 THR HB 1 52 LYS HA 0.000 . 5.000 4.921 4.437 5.068 0.068 11 0 "[ . 1 .]" 1
368 1 12 THR MG 1 52 LYS HA 0.000 . 6.000 3.166 2.485 4.553 . 0 0 "[ . 1 .]" 1
369 1 52 LYS HA 1 52 LYS QG 0.000 . 3.800 2.238 2.137 2.408 . 0 0 "[ . 1 .]" 1
370 1 52 LYS HA 1 53 VAL HA 0.000 . 4.500 4.446 4.432 4.458 . 0 0 "[ . 1 .]" 1
371 1 53 VAL HA 1 70 ARG HA 0.000 . 2.300 2.117 2.060 2.182 . 0 0 "[ . 1 .]" 1
372 1 53 VAL HA 1 70 ARG QB 0.000 . 5.500 3.127 2.114 4.058 . 0 0 "[ . 1 .]" 1
373 1 53 VAL HA 1 53 VAL HB 0.000 . 2.500 2.473 2.390 2.514 0.014 13 0 "[ . 1 .]" 1
374 1 53 VAL HA 1 54 ARG HA 0.000 . 4.500 4.331 4.293 4.351 . 0 0 "[ . 1 .]" 1
375 1 53 VAL HB 1 67 ILE MG 0.000 . 4.500 2.028 1.937 2.123 . 0 0 "[ . 1 .]" 1
376 1 53 VAL HB 1 67 ILE MD 0.000 . 5.000 3.789 3.411 4.134 . 0 0 "[ . 1 .]" 1
377 1 53 VAL HB 1 67 ILE HB 0.000 . 5.000 4.713 4.409 5.101 0.101 7 0 "[ . 1 .]" 1
378 1 53 VAL HB 1 55 VAL MG2 0.000 . 6.000 4.166 3.358 4.647 . 0 0 "[ . 1 .]" 1
379 1 53 VAL MG2 1 55 VAL MG2 0.000 . 7.000 2.251 1.926 2.464 . 0 0 "[ . 1 .]" 1
380 1 53 VAL MG1 1 70 ARG QB 0.000 . 6.000 1.954 1.802 2.149 . 0 0 "[ . 1 .]" 1
381 1 10 GLU QG 1 54 ARG HA 0.000 . 4.000 3.122 2.467 3.483 . 0 0 "[ . 1 .]" 1
382 1 54 ARG HA 1 54 ARG QG 0.000 . 3.500 2.242 2.098 2.347 . 0 0 "[ . 1 .]" 1
383 1 54 ARG HA 1 55 VAL HA 0.000 . 4.500 4.389 4.368 4.412 . 0 0 "[ . 1 .]" 1
384 1 55 VAL HA 1 67 ILE HA 0.000 . 3.000 2.818 2.566 3.044 0.044 7 0 "[ . 1 .]" 1
385 1 55 VAL HA 1 55 VAL HB 0.000 . 3.000 3.019 2.992 3.039 0.039 5 0 "[ . 1 .]" 1
386 1 55 VAL HB 1 57 LEU HG 0.000 . 4.000 3.962 3.487 4.145 0.145 12 0 "[ . 1 .]" 1
387 1 55 VAL HB 1 57 LEU MD2 0.000 . 6.500 3.901 3.069 4.596 . 0 0 "[ . 1 .]" 1
388 1 55 VAL MG1 1 57 LEU MD2 0.000 . 6.000 3.029 2.101 4.011 . 0 0 "[ . 1 .]" 1
389 1 55 VAL MG1 1 57 LEU MD1 0.000 . 7.500 4.216 3.391 4.944 . 0 0 "[ . 1 .]" 1
390 1 8 GLU QB 1 56 GLU HA 0.000 . 6.000 4.263 3.633 4.856 . 0 0 "[ . 1 .]" 1
391 1 8 GLU QG 1 56 GLU HA 0.000 . 6.000 4.718 3.522 5.402 . 0 0 "[ . 1 .]" 1
392 1 56 GLU HA 1 56 GLU QG 0.000 . 3.500 2.564 2.176 3.306 . 0 0 "[ . 1 .]" 1
393 1 56 GLU HA 1 57 LEU HA 0.000 . 4.500 4.384 4.343 4.408 . 0 0 "[ . 1 .]" 1
394 1 57 LEU HA 1 65 GLY QA 0.000 . 3.500 2.541 2.389 2.611 . 0 0 "[ . 1 .]" 1
395 1 57 LEU HA 1 57 LEU HG 0.000 . 3.000 2.822 2.445 3.150 0.150 8 0 "[ . 1 .]" 1
396 1 57 LEU HA 1 57 LEU MD2 0.000 . 4.500 2.531 2.130 3.549 . 0 0 "[ . 1 .]" 1
397 1 57 LEU HA 1 58 THR HA 0.000 . 4.500 4.373 4.344 4.416 . 0 0 "[ . 1 .]" 1
398 1 58 THR HA 1 58 THR HB 0.000 . 2.500 2.476 2.423 2.554 0.054 14 0 "[ . 1 .]" 1
399 1 62 LEU HA 1 62 LEU HG 0.000 . 3.000 2.613 2.225 3.199 0.199 12 0 "[ . 1 .]" 1
400 1 62 LEU HA 1 62 LEU MD2 0.000 . 4.500 3.419 2.131 3.913 . 0 0 "[ . 1 .]" 1
401 1 32 VAL MG2 1 63 SER HA 0.000 . 4.500 3.469 3.070 3.610 . 0 0 "[ . 1 .]" 1
402 1 32 VAL HA 1 63 SER HA 0.000 . 3.300 3.395 3.288 3.513 0.213 8 0 "[ . 1 .]" 1
403 1 33 THR MG 1 64 LYS HA 0.000 . 6.500 3.819 2.673 4.491 . 0 0 "[ . 1 .]" 1
404 1 32 VAL HA 1 64 LYS HA 0.000 . 4.500 4.651 4.557 4.741 0.241 12 0 "[ . 1 .]" 1
405 1 64 LYS HA 1 64 LYS QG 0.000 . 4.000 2.615 2.314 2.944 . 0 0 "[ . 1 .]" 1
406 1 64 LYS HA 1 64 LYS QE 0.000 . 6.000 4.501 3.656 5.191 . 0 0 "[ . 1 .]" 1
407 1 58 THR MG 1 65 GLY QA 0.000 . 6.000 2.402 2.117 2.634 . 0 0 "[ . 1 .]" 1
408 1 64 LYS QB 1 65 GLY QA 0.000 . 6.500 3.744 3.712 3.768 . 0 0 "[ . 1 .]" 1
409 1 35 HIS QB 1 66 ARG HA 0.000 . 5.000 3.905 3.187 4.536 . 0 0 "[ . 1 .]" 1
410 1 67 ILE HA 1 67 ILE HB 0.000 . 2.900 3.030 3.017 3.046 0.146 7 0 "[ . 1 .]" 1
411 1 67 ILE HA 1 67 ILE QG 0.000 . 3.900 2.318 2.269 2.351 . 0 0 "[ . 1 .]" 1
412 1 53 VAL HB 1 67 ILE HA 0.000 . 3.900 3.845 3.485 4.016 0.116 7 0 "[ . 1 .]" 1
413 1 34 ALA MB 1 67 ILE MD 0.000 . 7.000 2.339 2.098 2.652 . 0 0 "[ . 1 .]" 1
414 1 22 PHE QD 1 67 ILE MD 0.000 . 7.500 3.817 3.330 4.215 . 0 0 "[ . 1 .]" 1
415 1 22 PHE QB 1 67 ILE MD 0.000 . 5.000 3.359 3.123 3.517 . 0 0 "[ . 1 .]" 1
416 1 53 VAL MG2 1 67 ILE MD 0.000 . 6.000 2.424 2.150 2.790 . 0 0 "[ . 1 .]" 1
417 1 53 VAL MG1 1 67 ILE MD 0.000 . 5.500 2.859 2.551 3.052 . 0 0 "[ . 1 .]" 1
418 1 13 VAL MG2 1 67 ILE MD 0.000 . 7.000 2.130 1.913 2.441 . 0 0 "[ . 1 .]" 1
419 1 68 THR HA 1 68 THR HB 0.000 . 2.500 2.512 2.383 2.674 0.174 2 0 "[ . 1 .]" 1
420 1 66 ARG QB 1 68 THR MG 0.000 . 6.500 3.728 3.105 4.524 . 0 0 "[ . 1 .]" 1
421 1 66 ARG QG 1 68 THR MG 0.000 . 5.500 3.092 2.660 3.671 . 0 0 "[ . 1 .]" 1
422 1 66 ARG QD 1 68 THR MG 0.000 . 6.500 3.636 2.916 4.060 . 0 0 "[ . 1 .]" 1
423 1 70 ARG HA 1 70 ARG QG 0.000 . 3.500 3.258 2.679 3.411 . 0 0 "[ . 1 .]" 1
424 1 70 ARG HA 1 70 ARG QD 0.000 . 5.000 3.980 3.471 4.292 . 0 0 "[ . 1 .]" 1
425 1 69 TYR QE 1 71 ALA MB 0.000 . 7.000 3.206 2.411 3.960 . 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 33
_Distance_constraint_stats_list.Viol_count 144
_Distance_constraint_stats_list.Viol_total 292.141
_Distance_constraint_stats_list.Viol_max 0.361
_Distance_constraint_stats_list.Viol_rms 0.0830
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0393
_Distance_constraint_stats_list.Viol_average_violations_only 0.1353
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 7 PHE 1.690 0.258 10 0 "[ . 1 .]"
1 9 MET 0.020 0.020 13 0 "[ . 1 .]"
1 11 GLY 0.000 0.000 . 0 "[ . 1 .]"
1 12 THR 0.508 0.112 6 0 "[ . 1 .]"
1 13 VAL 0.711 0.158 11 0 "[ . 1 .]"
1 14 VAL 1.543 0.185 6 0 "[ . 1 .]"
1 15 ASP 1.645 0.255 1 0 "[ . 1 .]"
1 17 LEU 4.495 0.355 5 0 "[ . 1 .]"
1 21 MET 4.495 0.355 5 0 "[ . 1 .]"
1 22 PHE 0.000 0.000 . 0 "[ . 1 .]"
1 23 ARG 3.188 0.255 1 0 "[ . 1 .]"
1 24 VAL 0.000 0.000 . 0 "[ . 1 .]"
1 25 GLU 0.508 0.112 6 0 "[ . 1 .]"
1 26 LEU 0.000 0.000 . 0 "[ . 1 .]"
1 30 HIS 0.000 0.000 . 0 "[ . 1 .]"
1 32 VAL 0.000 0.000 . 0 "[ . 1 .]"
1 33 THR 0.000 0.000 . 0 "[ . 1 .]"
1 34 ALA 0.000 0.000 . 0 "[ . 1 .]"
1 35 HIS 0.642 0.114 10 0 "[ . 1 .]"
1 38 GLY 0.412 0.148 9 0 "[ . 1 .]"
1 39 LYS 0.201 0.058 14 0 "[ . 1 .]"
1 42 LYS 0.412 0.148 9 0 "[ . 1 .]"
1 43 ASN 0.201 0.058 14 0 "[ . 1 .]"
1 50 GLY 0.000 0.000 . 0 "[ . 1 .]"
1 51 ASP 0.711 0.158 11 0 "[ . 1 .]"
1 52 LYS 3.037 0.333 13 0 "[ . 1 .]"
1 53 VAL 0.000 0.000 . 0 "[ . 1 .]"
1 54 ARG 0.210 0.104 7 0 "[ . 1 .]"
1 55 VAL 0.020 0.020 13 0 "[ . 1 .]"
1 56 GLU 0.258 0.089 10 0 "[ . 1 .]"
1 57 LEU 1.690 0.258 10 0 "[ . 1 .]"
1 58 THR 4.104 0.361 12 0 "[ . 1 .]"
1 64 LYS 4.104 0.361 12 0 "[ . 1 .]"
1 65 GLY 0.000 0.000 . 0 "[ . 1 .]"
1 66 ARG 0.258 0.089 10 0 "[ . 1 .]"
1 67 ILE 0.642 0.114 10 0 "[ . 1 .]"
1 68 THR 0.034 0.021 7 0 "[ . 1 .]"
1 69 TYR 0.176 0.104 7 0 "[ . 1 .]"
1 71 ALA 3.037 0.333 13 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 38 GLY O 1 42 LYS N 0.000 . 3.300 3.079 2.488 3.316 0.016 13 0 "[ . 1 .]" 2
2 1 38 GLY O 1 42 LYS H 0.000 . 2.300 2.185 1.812 2.448 0.148 9 0 "[ . 1 .]" 2
3 1 39 LYS O 1 43 ASN N 0.000 . 3.300 2.959 2.504 3.301 0.001 4 0 "[ . 1 .]" 2
4 1 39 LYS O 1 43 ASN H 0.000 . 2.300 2.143 1.565 2.358 0.058 14 0 "[ . 1 .]" 2
5 1 7 PHE O 1 57 LEU H 0.000 . 2.300 2.050 1.616 2.369 0.069 4 0 "[ . 1 .]" 2
6 1 7 PHE H 1 57 LEU O 0.000 . 2.300 2.383 2.053 2.558 0.258 10 0 "[ . 1 .]" 2
7 1 9 MET O 1 55 VAL H 0.000 . 2.300 1.818 1.534 2.094 . 0 0 "[ . 1 .]" 2
8 1 9 MET H 1 55 VAL O 0.000 . 2.300 2.008 1.733 2.320 0.020 13 0 "[ . 1 .]" 2
9 1 11 GLY O 1 53 VAL H 0.000 . 2.300 1.869 1.761 2.029 . 0 0 "[ . 1 .]" 2
10 1 11 GLY H 1 53 VAL O 0.000 . 2.300 1.871 1.804 1.976 . 0 0 "[ . 1 .]" 2
11 1 12 THR O 1 25 GLU H 0.000 . 2.300 1.798 1.634 1.948 . 0 0 "[ . 1 .]" 2
12 1 12 THR H 1 25 GLU O 0.000 . 2.300 2.269 1.990 2.412 0.112 6 0 "[ . 1 .]" 2
13 1 13 VAL O 1 50 GLY H 0.000 . 2.000 1.643 1.551 1.789 . 0 0 "[ . 1 .]" 2
14 1 13 VAL H 1 51 ASP O 0.000 . 2.300 2.339 2.212 2.458 0.158 11 0 "[ . 1 .]" 2
15 1 14 VAL H 1 23 ARG O 0.000 . 2.300 2.403 2.316 2.485 0.185 6 0 "[ . 1 .]" 2
16 1 15 ASP O 1 23 ARG H 0.000 . 2.300 2.384 2.141 2.555 0.255 1 0 "[ . 1 .]" 2
17 1 17 LEU H 1 21 MET O 0.000 . 2.300 2.076 1.865 2.331 0.031 2 0 "[ . 1 .]" 2
18 1 17 LEU O 1 21 MET H 0.000 . 2.500 2.796 2.764 2.855 0.355 5 0 "[ . 1 .]" 2
19 1 22 PHE H 1 34 ALA O 0.000 . 2.300 2.113 1.680 2.286 . 0 0 "[ . 1 .]" 2
20 1 22 PHE O 1 34 ALA H 0.000 . 3.300 1.878 1.574 2.163 . 0 0 "[ . 1 .]" 2
21 1 24 VAL H 1 32 VAL O 0.000 . 2.300 1.853 1.568 2.153 . 0 0 "[ . 1 .]" 2
22 1 24 VAL O 1 32 VAL H 0.000 . 2.300 1.998 1.777 2.154 . 0 0 "[ . 1 .]" 2
23 1 26 LEU O 1 30 HIS H 0.000 . 2.300 1.626 1.549 1.742 . 0 0 "[ . 1 .]" 2
24 1 26 LEU H 1 30 HIS O 0.000 . 2.300 2.043 1.884 2.113 . 0 0 "[ . 1 .]" 2
25 1 33 THR O 1 65 GLY H 0.000 . 3.300 2.087 1.842 2.480 . 0 0 "[ . 1 .]" 2
26 1 35 HIS O 1 67 ILE H 0.000 . 2.300 2.312 2.072 2.414 0.114 10 0 "[ . 1 .]" 2
27 1 52 LYS O 1 71 ALA H 0.000 . 2.300 1.733 1.527 1.858 . 0 0 "[ . 1 .]" 2
28 1 52 LYS H 1 71 ALA O 0.000 . 2.300 2.502 2.373 2.633 0.333 13 0 "[ . 1 .]" 2
29 1 54 ARG O 1 68 THR H 0.000 . 2.300 2.244 2.160 2.321 0.021 7 0 "[ . 1 .]" 2
30 1 54 ARG H 1 69 TYR O 0.000 . 2.300 2.002 1.622 2.404 0.104 7 0 "[ . 1 .]" 2
31 1 56 GLU H 1 66 ARG O 0.000 . 2.300 2.146 1.929 2.317 0.017 12 0 "[ . 1 .]" 2
32 1 56 GLU O 1 66 ARG H 0.000 . 2.300 2.268 2.130 2.389 0.089 10 0 "[ . 1 .]" 2
33 1 58 THR H 1 64 LYS O 0.000 . 2.300 2.574 2.501 2.661 0.361 12 0 "[ . 1 .]" 2
stop_
save_
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