NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | program | type | subtype | subsubtype |
|
|
382543 |
1jjg   |
5077 | cing | recoord | 4-filtered-FRED | Wattos | check | violation | distance |
data_1jjg
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 328
_Distance_constraint_stats_list.Viol_count 299
_Distance_constraint_stats_list.Viol_total 244.822
_Distance_constraint_stats_list.Viol_max 0.204
_Distance_constraint_stats_list.Viol_rms 0.0128
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0019
_Distance_constraint_stats_list.Viol_average_violations_only 0.0409
_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 26 SER 0.047 0.047 18 0 "[ . 1 . 2]"
1 27 ALA 0.106 0.059 11 0 "[ . 1 . 2]"
1 28 MET 0.173 0.061 9 0 "[ . 1 . 2]"
1 29 ASP 0.234 0.061 3 0 "[ . 1 . 2]"
1 30 LEU 0.182 0.062 15 0 "[ . 1 . 2]"
1 31 SER 0.062 0.062 15 0 "[ . 1 . 2]"
1 32 PRO 0.034 0.029 14 0 "[ . 1 . 2]"
1 33 GLY 0.034 0.029 14 0 "[ . 1 . 2]"
1 34 SER 0.029 0.015 10 0 "[ . 1 . 2]"
1 35 VAL 0.093 0.022 16 0 "[ . 1 . 2]"
1 36 HIS 0.048 0.022 16 0 "[ . 1 . 2]"
1 37 GLU 0.014 0.013 8 0 "[ . 1 . 2]"
1 38 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 39 ILE 0.016 0.008 6 0 "[ . 1 . 2]"
1 40 VAL 0.425 0.053 12 0 "[ . 1 . 2]"
1 41 TYR 0.393 0.056 12 0 "[ . 1 . 2]"
1 42 PHE 0.012 0.012 3 0 "[ . 1 . 2]"
1 43 LYS 0.319 0.071 16 0 "[ . 1 . 2]"
1 44 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 45 GLY 0.093 0.071 16 0 "[ . 1 . 2]"
1 46 ILE 0.231 0.038 9 0 "[ . 1 . 2]"
1 47 PHE 0.004 0.004 18 0 "[ . 1 . 2]"
1 48 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 49 VAL 0.440 0.043 11 0 "[ . 1 . 2]"
1 50 ARG 0.200 0.039 17 0 "[ . 1 . 2]"
1 51 LEU 0.028 0.014 13 0 "[ . 1 . 2]"
1 52 LEU 0.038 0.014 13 0 "[ . 1 . 2]"
1 53 GLY 0.027 0.026 16 0 "[ . 1 . 2]"
1 54 TYR 0.155 0.064 16 0 "[ . 1 . 2]"
1 55 GLU 0.424 0.111 18 0 "[ . 1 . 2]"
1 56 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 57 HIS 0.255 0.111 18 0 "[ . 1 . 2]"
1 58 GLU 0.255 0.038 3 0 "[ . 1 . 2]"
1 59 CYS 0.230 0.043 11 0 "[ . 1 . 2]"
1 60 ILE 0.267 0.041 1 0 "[ . 1 . 2]"
1 61 LEU 0.339 0.052 11 0 "[ . 1 . 2]"
1 62 LEU 0.346 0.088 1 0 "[ . 1 . 2]"
1 63 ASP 0.331 0.052 11 0 "[ . 1 . 2]"
1 64 TYR 0.008 0.008 1 0 "[ . 1 . 2]"
1 65 LEU 0.339 0.088 1 0 "[ . 1 . 2]"
1 66 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 71 THR 0.032 0.019 1 0 "[ . 1 . 2]"
1 72 LEU 0.030 0.030 10 0 "[ . 1 . 2]"
1 73 ASP 0.092 0.030 10 0 "[ . 1 . 2]"
1 74 ARG 0.030 0.028 1 0 "[ . 1 . 2]"
1 75 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 76 LYS 0.303 0.082 3 0 "[ . 1 . 2]"
1 77 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 78 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 79 LEU 0.200 0.041 7 0 "[ . 1 . 2]"
1 80 VAL 1.777 0.122 9 0 "[ . 1 . 2]"
1 81 GLY 1.407 0.122 9 0 "[ . 1 . 2]"
1 82 ARG 0.395 0.138 12 0 "[ . 1 . 2]"
1 83 VAL 0.289 0.138 12 0 "[ . 1 . 2]"
1 84 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 85 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 86 THR 0.038 0.034 6 0 "[ . 1 . 2]"
1 87 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 88 VAL 0.029 0.022 19 0 "[ . 1 . 2]"
1 89 VAL 0.243 0.106 8 0 "[ . 1 . 2]"
1 90 ARG 0.794 0.114 14 0 "[ . 1 . 2]"
1 91 ALA 5.542 0.204 20 0 "[ . 1 . 2]"
1 92 ASP 0.418 0.072 17 0 "[ . 1 . 2]"
1 93 GLY 0.408 0.072 17 0 "[ . 1 . 2]"
1 94 LEU 0.216 0.071 1 0 "[ . 1 . 2]"
1 95 TYR 0.479 0.071 1 0 "[ . 1 . 2]"
1 96 VAL 5.030 0.204 20 0 "[ . 1 . 2]"
1 97 ASP 0.140 0.053 2 0 "[ . 1 . 2]"
1 98 LEU 0.008 0.008 8 0 "[ . 1 . 2]"
1 99 ARG 0.243 0.106 8 0 "[ . 1 . 2]"
1 100 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 101 PHE 0.071 0.034 6 0 "[ . 1 . 2]"
1 102 PHE 0.033 0.019 12 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 33 GLY H 1 34 SER H 1.800 . 3.500 2.466 1.867 3.488 . 0 0 "[ . 1 . 2]" 1
2 1 41 TYR H 1 42 PHE H 1.800 . 5.000 4.382 4.228 4.507 . 0 0 "[ . 1 . 2]" 1
3 1 42 PHE H 1 43 LYS H 1.800 . 5.000 4.383 4.072 4.565 . 0 0 "[ . 1 . 2]" 1
4 1 44 ASP H 1 45 GLY H 1.800 . 3.500 2.651 2.479 2.933 . 0 0 "[ . 1 . 2]" 1
5 1 45 GLY H 1 46 ILE H 1.800 . 3.500 2.641 1.842 3.198 . 0 0 "[ . 1 . 2]" 1
6 1 47 PHE H 1 48 LYS H 1.800 . 5.000 4.536 4.483 4.573 . 0 0 "[ . 1 . 2]" 1
7 1 53 GLY H 1 54 TYR H 1.800 . 3.500 2.839 2.162 3.347 . 0 0 "[ . 1 . 2]" 1
8 1 54 TYR H 1 55 GLU H 1.800 . 3.500 2.476 1.892 3.413 . 0 0 "[ . 1 . 2]" 1
9 1 55 GLU H 1 56 GLY H 1.800 . 5.000 3.665 2.455 4.664 . 0 0 "[ . 1 . 2]" 1
10 1 56 GLY H 1 57 HIS H 1.800 . 3.500 2.283 1.868 3.037 . 0 0 "[ . 1 . 2]" 1
11 1 58 GLU H 1 59 CYS H 1.800 . 5.000 4.275 4.152 4.467 . 0 0 "[ . 1 . 2]" 1
12 1 62 LEU H 1 63 ASP H 1.800 . 3.500 1.937 1.810 2.290 . 0 0 "[ . 1 . 2]" 1
13 1 63 ASP H 1 64 TYR H 1.800 . 3.500 2.764 2.283 2.996 . 0 0 "[ . 1 . 2]" 1
14 1 64 TYR H 1 65 LEU H 1.800 . 3.500 2.930 2.551 3.278 . 0 0 "[ . 1 . 2]" 1
15 1 65 LEU H 1 66 ASN H 1.800 . 3.500 2.931 2.522 3.367 . 0 0 "[ . 1 . 2]" 1
16 1 72 LEU H 1 73 ASP H 1.800 . 3.500 2.654 1.969 3.236 . 0 0 "[ . 1 . 2]" 1
17 1 73 ASP H 1 74 ARG H 1.800 . 3.500 2.984 2.176 3.528 0.028 1 0 "[ . 1 . 2]" 1
18 1 74 ARG H 1 75 LEU H 1.800 . 3.500 2.671 2.460 3.044 . 0 0 "[ . 1 . 2]" 1
19 1 75 LEU H 1 76 LYS H 1.800 . 3.500 2.693 2.473 3.112 . 0 0 "[ . 1 . 2]" 1
20 1 76 LYS H 1 77 GLU H 1.800 . 3.500 2.755 2.505 3.231 . 0 0 "[ . 1 . 2]" 1
21 1 78 ARG H 1 79 LEU H 1.800 . 3.500 2.670 2.449 3.243 . 0 0 "[ . 1 . 2]" 1
22 1 79 LEU H 1 80 VAL H 1.800 . 3.500 2.596 2.129 3.239 . 0 0 "[ . 1 . 2]" 1
23 1 81 GLY H 1 82 ARG H 1.800 . 3.500 3.261 2.847 3.430 . 0 0 "[ . 1 . 2]" 1
24 1 82 ARG H 1 83 VAL H 1.800 . 5.000 4.686 4.585 4.704 . 0 0 "[ . 1 . 2]" 1
25 1 83 VAL H 1 84 ILE H 1.800 . 5.000 4.550 4.349 4.596 . 0 0 "[ . 1 . 2]" 1
26 1 87 ARG H 1 88 VAL H 1.800 . 5.000 4.590 4.564 4.602 . 0 0 "[ . 1 . 2]" 1
27 1 89 VAL H 1 90 ARG H 1.800 . 3.500 2.475 2.033 2.797 . 0 0 "[ . 1 . 2]" 1
28 1 90 ARG H 1 91 ALA H 1.800 . 3.500 3.540 3.505 3.614 0.114 14 0 "[ . 1 . 2]" 1
29 1 94 LEU H 1 95 TYR H 1.800 . 3.500 2.608 1.957 3.508 0.008 1 0 "[ . 1 . 2]" 1
30 1 100 ARG H 1 101 PHE H 1.800 . 5.000 4.603 4.253 4.703 . 0 0 "[ . 1 . 2]" 1
31 1 101 PHE H 1 102 PHE H 1.800 . 5.000 4.253 3.001 4.675 . 0 0 "[ . 1 . 2]" 1
32 1 53 GLY H 1 55 GLU H 1.800 . 4.000 3.221 2.557 4.026 0.026 16 0 "[ . 1 . 2]" 1
33 1 26 SER HA 1 27 ALA H 1.800 . 3.500 2.567 2.183 3.547 0.047 18 0 "[ . 1 . 2]" 1
34 1 27 ALA HA 1 28 MET H 1.800 . 3.500 2.536 2.196 3.559 0.059 11 0 "[ . 1 . 2]" 1
35 1 28 MET HA 1 29 ASP H 1.800 . 3.500 2.652 2.192 3.561 0.061 9 0 "[ . 1 . 2]" 1
36 1 29 ASP HA 1 30 LEU H 1.800 . 3.500 2.813 2.188 3.561 0.061 3 0 "[ . 1 . 2]" 1
37 1 30 LEU HA 1 31 SER H 1.800 . 3.500 2.493 2.196 3.562 0.062 15 0 "[ . 1 . 2]" 1
38 1 32 PRO HA 1 33 GLY H 1.800 . 2.500 2.320 2.217 2.529 0.029 14 0 "[ . 1 . 2]" 1
39 1 33 GLY QA 1 34 SER H 1.800 . 4.500 2.647 2.271 2.893 . 0 0 "[ . 1 . 2]" 1
40 1 34 SER HA 1 35 VAL H 1.800 . 2.500 2.404 2.202 2.515 0.015 10 0 "[ . 1 . 2]" 1
41 1 35 VAL HA 1 36 HIS H 1.800 . 2.500 2.318 2.198 2.503 0.003 14 0 "[ . 1 . 2]" 1
42 1 36 HIS HA 1 37 GLU H 1.800 . 2.500 2.457 2.386 2.513 0.013 8 0 "[ . 1 . 2]" 1
43 1 37 GLU HA 1 38 GLY H 1.800 . 2.500 2.272 2.202 2.385 . 0 0 "[ . 1 . 2]" 1
44 1 38 GLY QA 1 39 ILE H 1.800 . 4.100 2.321 2.309 2.331 . 0 0 "[ . 1 . 2]" 1
45 1 39 ILE HA 1 40 VAL H 1.800 . 3.500 2.356 2.282 2.487 . 0 0 "[ . 1 . 2]" 1
46 1 40 VAL HA 1 41 TYR H 1.800 . 2.500 2.339 2.225 2.537 0.037 10 0 "[ . 1 . 2]" 1
47 1 41 TYR HA 1 42 PHE H 1.800 . 3.500 2.376 2.234 2.702 . 0 0 "[ . 1 . 2]" 1
48 1 42 PHE HA 1 43 LYS H 1.800 . 2.500 2.211 2.188 2.289 . 0 0 "[ . 1 . 2]" 1
49 1 43 LYS HA 1 44 ASP H 1.800 . 3.500 2.380 2.188 2.783 . 0 0 "[ . 1 . 2]" 1
50 1 44 ASP HA 1 45 GLY H 1.800 . 3.500 3.141 2.822 3.369 . 0 0 "[ . 1 . 2]" 1
51 1 45 GLY QA 1 46 ILE H 1.800 . 6.000 2.815 2.517 2.911 . 0 0 "[ . 1 . 2]" 1
52 1 46 ILE HA 1 47 PHE H 1.800 . 3.500 2.890 2.440 3.504 0.004 18 0 "[ . 1 . 2]" 1
53 1 47 PHE HA 1 48 LYS H 1.800 . 3.500 2.459 2.328 2.561 . 0 0 "[ . 1 . 2]" 1
54 1 48 LYS HA 1 49 VAL H 1.800 . 3.500 2.248 2.190 2.374 . 0 0 "[ . 1 . 2]" 1
55 1 49 VAL HA 1 50 ARG H 1.800 . 3.500 2.207 2.189 2.237 . 0 0 "[ . 1 . 2]" 1
56 1 50 ARG HA 1 51 LEU H 1.800 . 2.500 2.208 2.188 2.242 . 0 0 "[ . 1 . 2]" 1
57 1 51 LEU HA 1 52 LEU H 1.800 . 2.500 2.378 2.213 2.514 0.014 13 0 "[ . 1 . 2]" 1
58 1 52 LEU HA 1 53 GLY H 1.800 . 2.500 2.271 2.189 2.485 . 0 0 "[ . 1 . 2]" 1
59 1 53 GLY QA 1 54 TYR H 1.800 . 4.100 2.760 2.600 2.934 . 0 0 "[ . 1 . 2]" 1
60 1 54 TYR HA 1 55 GLU H 1.800 . 3.500 3.371 2.534 3.564 0.064 16 0 "[ . 1 . 2]" 1
61 1 55 GLU HA 1 56 GLY H 1.800 . 5.000 2.390 2.192 3.005 . 0 0 "[ . 1 . 2]" 1
62 1 56 GLY QA 1 57 HIS H 1.800 . 4.100 2.881 2.741 2.941 . 0 0 "[ . 1 . 2]" 1
63 1 57 HIS HA 1 58 GLU H 1.800 . 3.500 2.278 2.192 2.362 . 0 0 "[ . 1 . 2]" 1
64 1 58 GLU HA 1 59 CYS H 1.800 . 2.500 2.204 2.176 2.243 . 0 0 "[ . 1 . 2]" 1
65 1 59 CYS HA 1 60 ILE H 1.800 . 2.500 2.426 2.275 2.523 0.023 13 0 "[ . 1 . 2]" 1
66 1 60 ILE HA 1 61 LEU H 1.800 . 3.500 2.234 2.201 2.285 . 0 0 "[ . 1 . 2]" 1
67 1 61 LEU HA 1 62 LEU H 1.800 . 3.500 2.178 2.154 2.192 . 0 0 "[ . 1 . 2]" 1
68 1 63 ASP HA 1 64 TYR H 1.800 . 4.500 3.424 2.837 3.588 . 0 0 "[ . 1 . 2]" 1
69 1 64 TYR HA 1 65 LEU H 1.800 . 4.500 3.097 2.500 3.585 . 0 0 "[ . 1 . 2]" 1
70 1 65 LEU HA 1 66 ASN H 1.800 . 5.000 3.551 3.384 3.589 . 0 0 "[ . 1 . 2]" 1
71 1 71 THR HA 1 72 LEU H 1.800 . 5.000 2.334 2.191 2.716 . 0 0 "[ . 1 . 2]" 1
72 1 72 LEU HA 1 73 ASP H 1.800 . 4.500 3.101 2.591 3.566 . 0 0 "[ . 1 . 2]" 1
73 1 74 ARG HA 1 75 LEU H 1.800 . 4.500 3.544 3.493 3.590 . 0 0 "[ . 1 . 2]" 1
74 1 76 LYS HA 1 77 GLU H 1.800 . 5.000 3.521 3.488 3.591 . 0 0 "[ . 1 . 2]" 1
75 1 77 GLU HA 1 78 ARG H 1.800 . 4.500 3.556 3.506 3.591 . 0 0 "[ . 1 . 2]" 1
76 1 78 ARG HA 1 79 LEU H 1.800 . 4.500 3.536 3.493 3.589 . 0 0 "[ . 1 . 2]" 1
77 1 79 LEU HA 1 80 VAL H 1.800 . 4.500 3.296 2.492 3.580 . 0 0 "[ . 1 . 2]" 1
78 1 80 VAL HA 1 81 GLY H 1.800 . 3.500 2.533 2.379 3.538 0.038 12 0 "[ . 1 . 2]" 1
79 1 81 GLY QA 1 82 ARG H 1.800 . 5.500 2.693 2.607 2.925 . 0 0 "[ . 1 . 2]" 1
80 1 82 ARG HA 1 83 VAL H 1.800 . 2.500 2.442 2.294 2.638 0.138 12 0 "[ . 1 . 2]" 1
81 1 83 VAL HA 1 84 ILE H 1.800 . 2.500 2.256 2.182 2.340 . 0 0 "[ . 1 . 2]" 1
82 1 84 ILE HA 1 85 LYS H 1.800 . 3.500 2.524 2.433 2.559 . 0 0 "[ . 1 . 2]" 1
83 1 85 LYS HA 1 86 THR H 1.800 . 2.500 2.229 2.186 2.327 . 0 0 "[ . 1 . 2]" 1
84 1 86 THR HA 1 87 ARG H 1.800 . 3.500 2.548 2.459 2.572 . 0 0 "[ . 1 . 2]" 1
85 1 87 ARG HA 1 88 VAL H 1.800 . 3.500 2.369 2.256 2.424 . 0 0 "[ . 1 . 2]" 1
86 1 88 VAL HA 1 89 VAL H 1.800 . 3.500 2.190 2.170 2.263 . 0 0 "[ . 1 . 2]" 1
87 1 89 VAL HA 1 90 ARG H 1.800 . 4.500 3.540 3.416 3.577 . 0 0 "[ . 1 . 2]" 1
88 1 90 ARG HA 1 91 ALA H 1.800 . 3.500 2.214 2.162 2.242 . 0 0 "[ . 1 . 2]" 1
89 1 91 ALA HA 1 92 ASP H 1.800 . 2.500 2.230 2.188 2.353 . 0 0 "[ . 1 . 2]" 1
90 1 92 ASP HA 1 93 GLY H 1.800 . 3.500 3.025 2.213 3.572 0.072 17 0 "[ . 1 . 2]" 1
91 1 93 GLY QA 1 94 LEU H 1.800 . 4.500 2.231 2.156 2.395 . 0 0 "[ . 1 . 2]" 1
92 1 94 LEU HA 1 95 TYR H 1.800 . 3.500 3.475 3.256 3.571 0.071 1 0 "[ . 1 . 2]" 1
93 1 95 TYR HA 1 96 VAL H 1.800 . 2.500 2.214 2.188 2.257 . 0 0 "[ . 1 . 2]" 1
94 1 96 VAL HA 1 97 ASP H 1.800 . 3.500 2.376 2.265 2.464 . 0 0 "[ . 1 . 2]" 1
95 1 97 ASP HA 1 98 LEU H 1.800 . 3.500 2.339 2.298 2.397 . 0 0 "[ . 1 . 2]" 1
96 1 98 LEU HA 1 99 ARG H 1.800 . 3.500 2.211 2.158 2.521 . 0 0 "[ . 1 . 2]" 1
97 1 99 ARG HA 1 100 ARG H 1.800 . 3.500 2.204 2.176 2.238 . 0 0 "[ . 1 . 2]" 1
98 1 100 ARG HA 1 101 PHE H 1.800 . 3.500 2.353 2.196 2.505 . 0 0 "[ . 1 . 2]" 1
99 1 101 PHE HA 1 102 PHE H 1.800 . 2.500 2.327 2.193 2.519 0.019 12 0 "[ . 1 . 2]" 1
100 1 43 LYS HA 1 45 GLY H 1.800 . 4.000 3.504 3.023 4.071 0.071 16 0 "[ . 1 . 2]" 1
101 1 52 LEU HA 1 54 TYR H 1.800 . 4.000 3.648 3.289 4.009 0.009 12 0 "[ . 1 . 2]" 1
102 1 55 GLU HA 1 57 HIS H 1.800 . 4.000 3.853 3.182 4.111 0.111 18 0 "[ . 1 . 2]" 1
103 1 61 LEU HA 1 63 ASP H 1.800 . 5.000 3.720 3.267 4.056 . 0 0 "[ . 1 . 2]" 1
104 1 71 THR HA 1 73 ASP H 1.800 . 4.000 3.861 3.553 4.019 0.019 1 0 "[ . 1 . 2]" 1
105 1 74 ARG HA 1 76 LYS H 1.800 . 5.000 4.348 3.801 4.737 . 0 0 "[ . 1 . 2]" 1
106 1 80 VAL HA 1 82 ARG H 1.800 . 4.000 3.689 3.395 4.030 0.030 10 0 "[ . 1 . 2]" 1
107 1 88 VAL HA 1 90 ARG H 1.800 . 4.000 3.878 3.728 3.986 . 0 0 "[ . 1 . 2]" 1
108 1 93 GLY QA 1 95 TYR H 1.800 . 5.000 3.391 2.950 3.935 . 0 0 "[ . 1 . 2]" 1
109 1 62 LEU HA 1 65 LEU H 1.800 . 4.000 3.754 3.229 4.088 0.088 1 0 "[ . 1 . 2]" 1
110 1 74 ARG HA 1 77 GLU H 1.800 . 4.000 3.583 3.048 3.970 . 0 0 "[ . 1 . 2]" 1
111 1 75 LEU HA 1 78 ARG H 1.800 . 4.000 3.502 3.185 3.840 . 0 0 "[ . 1 . 2]" 1
112 1 76 LYS HA 1 79 LEU H 1.800 . 4.000 3.385 3.000 3.972 . 0 0 "[ . 1 . 2]" 1
113 1 76 LYS HA 1 80 VAL H 1.800 . 4.000 3.874 3.320 4.082 0.082 3 0 "[ . 1 . 2]" 1
114 1 28 MET QB 1 29 ASP H 1.800 . 5.000 3.046 1.880 3.974 . 0 0 "[ . 1 . 2]" 1
115 1 29 ASP QB 1 30 LEU H 1.800 . 5.000 3.112 1.866 4.051 . 0 0 "[ . 1 . 2]" 1
116 1 30 LEU QB 1 31 SER H 1.800 . 5.000 3.344 1.867 4.040 . 0 0 "[ . 1 . 2]" 1
117 1 32 PRO QB 1 33 GLY H 1.800 . 4.500 3.222 2.433 3.859 . 0 0 "[ . 1 . 2]" 1
118 1 34 SER QB 1 35 VAL H 1.800 . 5.000 2.911 2.424 3.663 . 0 0 "[ . 1 . 2]" 1
119 1 35 VAL HB 1 36 HIS H 1.800 . 3.500 3.095 2.418 3.522 0.022 16 0 "[ . 1 . 2]" 1
120 1 36 HIS QB 1 37 GLU H 1.800 . 4.500 2.640 2.367 3.227 . 0 0 "[ . 1 . 2]" 1
121 1 37 GLU QB 1 38 GLY H 1.800 . 4.500 3.115 2.613 3.818 . 0 0 "[ . 1 . 2]" 1
122 1 39 ILE HB 1 40 VAL H 1.800 . 5.000 3.731 3.471 4.155 . 0 0 "[ . 1 . 2]" 1
123 1 41 TYR QB 1 42 PHE H 1.800 . 4.500 3.211 2.607 3.554 . 0 0 "[ . 1 . 2]" 1
124 1 42 PHE QB 1 43 LYS H 1.800 . 4.500 3.643 3.038 3.987 . 0 0 "[ . 1 . 2]" 1
125 1 43 LYS QB 1 44 ASP H 1.800 . 4.500 3.017 1.912 3.816 . 0 0 "[ . 1 . 2]" 1
126 1 48 LYS QB 1 49 VAL H 1.800 . 4.500 3.355 2.979 3.789 . 0 0 "[ . 1 . 2]" 1
127 1 51 LEU QB 1 52 LEU H 1.800 . 4.500 3.910 3.784 3.971 . 0 0 "[ . 1 . 2]" 1
128 1 52 LEU QB 1 53 GLY H 1.800 . 4.500 3.492 3.002 3.864 . 0 0 "[ . 1 . 2]" 1
129 1 54 TYR QB 1 55 GLU H 1.800 . 4.500 3.010 1.883 3.933 . 0 0 "[ . 1 . 2]" 1
130 1 57 HIS QB 1 58 GLU H 1.800 . 4.500 3.851 3.620 4.005 . 0 0 "[ . 1 . 2]" 1
131 1 58 GLU QB 1 59 CYS H 1.800 . 4.500 3.854 3.526 3.976 . 0 0 "[ . 1 . 2]" 1
132 1 59 CYS QB 1 60 ILE H 1.800 . 4.500 2.584 2.323 3.106 . 0 0 "[ . 1 . 2]" 1
133 1 60 ILE HB 1 61 LEU H 1.800 . 3.500 3.231 2.932 3.437 . 0 0 "[ . 1 . 2]" 1
134 1 62 LEU QB 1 63 ASP H 1.800 . 4.500 2.962 2.481 3.618 . 0 0 "[ . 1 . 2]" 1
135 1 63 ASP QB 1 64 TYR H 1.800 . 4.500 2.828 2.208 3.868 . 0 0 "[ . 1 . 2]" 1
136 1 65 LEU QB 1 66 ASN H 1.800 . 4.500 2.387 1.852 3.657 . 0 0 "[ . 1 . 2]" 1
137 1 73 ASP QB 1 74 ARG H 1.800 . 4.500 3.634 2.466 3.992 . 0 0 "[ . 1 . 2]" 1
138 1 76 LYS QB 1 77 GLU H 1.800 . 4.500 2.745 1.991 2.971 . 0 0 "[ . 1 . 2]" 1
139 1 77 GLU QB 1 78 ARG H 1.800 . 4.500 2.580 2.184 2.848 . 0 0 "[ . 1 . 2]" 1
140 1 78 ARG QB 1 79 LEU H 1.800 . 4.500 2.687 2.015 2.971 . 0 0 "[ . 1 . 2]" 1
141 1 79 LEU QB 1 80 VAL H 1.800 . 4.500 3.036 1.912 3.947 . 0 0 "[ . 1 . 2]" 1
142 1 80 VAL HB 1 81 GLY H 1.800 . 3.500 3.477 2.004 3.622 0.122 9 0 "[ . 1 . 2]" 1
143 1 86 THR HB 1 87 ARG H 1.800 . 3.500 2.365 2.214 2.961 . 0 0 "[ . 1 . 2]" 1
144 1 87 ARG QB 1 88 VAL H 1.800 . 4.500 2.689 2.495 3.092 . 0 0 "[ . 1 . 2]" 1
145 1 89 VAL HB 1 90 ARG H 1.800 . 3.500 2.779 2.643 3.375 . 0 0 "[ . 1 . 2]" 1
146 1 91 ALA MB 1 92 ASP H 1.800 . 4.500 3.181 2.698 3.630 . 0 0 "[ . 1 . 2]" 1
147 1 92 ASP QB 1 93 GLY H 1.800 . 4.500 3.250 1.962 4.069 . 0 0 "[ . 1 . 2]" 1
148 1 94 LEU QB 1 95 TYR H 1.800 . 4.500 2.948 2.206 3.455 . 0 0 "[ . 1 . 2]" 1
149 1 95 TYR QB 1 96 VAL H 1.800 . 4.500 3.294 3.064 3.589 . 0 0 "[ . 1 . 2]" 1
150 1 97 ASP QB 1 98 LEU H 1.800 . 4.500 2.896 2.654 3.559 . 0 0 "[ . 1 . 2]" 1
151 1 99 ARG QB 1 100 ARG H 1.800 . 4.500 3.585 3.161 3.963 . 0 0 "[ . 1 . 2]" 1
152 1 100 ARG QB 1 101 PHE H 1.800 . 4.500 3.234 2.351 3.970 . 0 0 "[ . 1 . 2]" 1
153 1 101 PHE QB 1 102 PHE H 1.800 . 4.500 3.428 2.350 4.030 . 0 0 "[ . 1 . 2]" 1
154 1 35 VAL QG 1 36 HIS H 1.800 . 7.400 3.103 1.861 3.579 . 0 0 "[ . 1 . 2]" 1
155 1 37 GLU QG 1 38 GLY H 1.800 . 6.000 3.566 2.144 4.480 . 0 0 "[ . 1 . 2]" 1
156 1 40 VAL QG 1 41 TYR H 1.800 . 7.400 1.963 1.799 2.433 0.001 9 0 "[ . 1 . 2]" 1
157 1 41 TYR QD 1 42 PHE H 1.800 . 7.000 2.763 1.884 3.791 . 0 0 "[ . 1 . 2]" 1
158 1 46 ILE MD 1 47 PHE H 1.800 . 6.000 3.099 2.274 4.863 . 0 0 "[ . 1 . 2]" 1
159 1 49 VAL MG1 1 50 ARG H 1.800 . 6.000 2.806 2.159 3.264 . 0 0 "[ . 1 . 2]" 1
160 1 49 VAL MG2 1 50 ARG H 1.800 . 6.000 4.210 3.944 4.367 . 0 0 "[ . 1 . 2]" 1
161 1 51 LEU QD 1 52 LEU H 1.800 . 7.400 3.603 2.155 4.492 . 0 0 "[ . 1 . 2]" 1
162 1 52 LEU QD 1 53 GLY H 1.800 . 7.400 2.779 1.799 3.626 0.001 7 0 "[ . 1 . 2]" 1
163 1 58 GLU QG 1 59 CYS H 1.800 . 5.000 3.165 2.371 3.557 . 0 0 "[ . 1 . 2]" 1
164 1 60 ILE MG 1 61 LEU H 1.800 . 6.000 3.877 3.504 4.168 . 0 0 "[ . 1 . 2]" 1
165 1 61 LEU QD 1 62 LEU H 1.800 . 7.400 3.180 2.690 3.927 . 0 0 "[ . 1 . 2]" 1
166 1 62 LEU QD 1 63 ASP H 1.800 . 7.400 3.448 2.273 4.240 . 0 0 "[ . 1 . 2]" 1
167 1 65 LEU QD 1 66 ASN H 1.800 . 7.400 3.247 2.410 4.030 . 0 0 "[ . 1 . 2]" 1
168 1 72 LEU HG 1 73 ASP H 1.800 . 5.000 4.562 1.921 5.030 0.030 10 0 "[ . 1 . 2]" 1
169 1 72 LEU QD 1 73 ASP H 1.800 . 7.400 4.073 2.266 4.552 . 0 0 "[ . 1 . 2]" 1
170 1 78 ARG QG 1 79 LEU H 1.800 . 6.000 4.237 3.524 4.651 . 0 0 "[ . 1 . 2]" 1
171 1 80 VAL QG 1 81 GLY H 1.800 . 7.400 1.829 1.754 1.965 0.046 9 0 "[ . 1 . 2]" 1
172 1 82 ARG QD 1 83 VAL H 1.800 . 6.000 3.509 1.895 4.700 . 0 0 "[ . 1 . 2]" 1
173 1 84 ILE QG 1 85 LYS H 1.800 . 6.000 3.291 2.816 4.271 . 0 0 "[ . 1 . 2]" 1
174 1 84 ILE MG 1 85 LYS H 1.800 . 6.000 3.786 3.529 3.958 . 0 0 "[ . 1 . 2]" 1
175 1 84 ILE MD 1 85 LYS H 1.800 . 6.000 3.654 2.504 4.155 . 0 0 "[ . 1 . 2]" 1
176 1 85 LYS QG 1 86 THR H 1.800 . 6.000 3.735 2.025 4.568 . 0 0 "[ . 1 . 2]" 1
177 1 85 LYS QD 1 86 THR H 1.800 . 6.000 4.872 2.880 5.409 . 0 0 "[ . 1 . 2]" 1
178 1 86 THR MG 1 87 ARG H 1.800 . 6.000 3.350 1.956 3.815 . 0 0 "[ . 1 . 2]" 1
179 1 88 VAL QG 1 89 VAL H 1.800 . 7.400 2.704 2.292 2.966 . 0 0 "[ . 1 . 2]" 1
180 1 89 VAL QG 1 90 ARG H 1.800 . 7.400 3.239 3.034 3.582 . 0 0 "[ . 1 . 2]" 1
181 1 96 VAL QG 1 97 ASP H 1.800 . 7.400 1.874 1.747 2.048 0.053 2 0 "[ . 1 . 2]" 1
182 1 61 LEU QD 1 63 ASP H 1.800 . 7.400 3.702 2.317 4.499 . 0 0 "[ . 1 . 2]" 1
183 1 61 LEU HG 1 63 ASP H 1.800 . 4.000 3.679 2.152 4.052 0.052 11 0 "[ . 1 . 2]" 1
184 1 88 VAL QG 1 90 ARG H 1.800 . 7.400 2.406 2.014 2.961 . 0 0 "[ . 1 . 2]" 1
185 1 91 ALA MB 1 93 GLY H 1.800 . 6.000 4.012 2.923 4.818 . 0 0 "[ . 1 . 2]" 1
186 1 74 ARG HA 1 77 GLU QB 1.800 . 5.000 3.136 2.326 3.895 . 0 0 "[ . 1 . 2]" 1
187 1 75 LEU HA 1 78 ARG QB 1.800 . 5.000 3.248 1.883 4.167 . 0 0 "[ . 1 . 2]" 1
188 1 33 GLY H 1 88 VAL H 1.800 . 5.000 4.012 2.995 4.762 . 0 0 "[ . 1 . 2]" 1
189 1 34 SER H 1 88 VAL H 1.800 . 4.000 2.803 2.232 3.413 . 0 0 "[ . 1 . 2]" 1
190 1 36 HIS H 1 86 THR H 1.800 . 4.000 3.006 2.373 3.512 . 0 0 "[ . 1 . 2]" 1
191 1 38 GLY H 1 84 ILE H 1.800 . 4.000 2.802 2.538 3.115 . 0 0 "[ . 1 . 2]" 1
192 1 39 ILE H 1 50 ARG H 1.800 . 4.000 3.043 2.558 3.642 . 0 0 "[ . 1 . 2]" 1
193 1 39 ILE H 1 52 LEU H 1.800 . 4.000 3.803 3.172 4.007 0.007 6 0 "[ . 1 . 2]" 1
194 1 40 VAL H 1 81 GLY H 1.800 . 5.000 3.789 3.321 4.904 . 0 0 "[ . 1 . 2]" 1
195 1 40 VAL H 1 82 ARG H 1.800 . 5.000 4.403 4.064 4.673 . 0 0 "[ . 1 . 2]" 1
196 1 41 TYR H 1 48 LYS H 1.800 . 5.000 2.488 1.948 2.858 . 0 0 "[ . 1 . 2]" 1
197 1 43 LYS H 1 46 ILE H 1.800 . 4.000 3.876 3.256 4.038 0.038 9 0 "[ . 1 . 2]" 1
198 1 58 GLU H 1 96 VAL H 1.800 . 5.000 4.723 4.470 4.903 . 0 0 "[ . 1 . 2]" 1
199 1 49 VAL H 1 59 CYS H 1.800 . 5.000 4.044 3.415 4.426 . 0 0 "[ . 1 . 2]" 1
200 1 62 LEU H 1 98 LEU H 1.800 . 4.000 3.561 2.572 4.008 0.008 8 0 "[ . 1 . 2]" 1
201 1 87 ARG H 1 99 ARG H 1.800 . 4.000 3.627 3.456 3.789 . 0 0 "[ . 1 . 2]" 1
202 1 89 VAL H 1 97 ASP H 1.800 . 5.000 4.380 4.236 4.587 . 0 0 "[ . 1 . 2]" 1
203 1 92 ASP H 1 95 TYR H 1.800 . 5.000 4.745 4.355 5.006 0.006 7 0 "[ . 1 . 2]" 1
204 1 35 VAL HA 1 88 VAL H 1.800 . 4.000 3.797 3.519 4.022 0.022 19 0 "[ . 1 . 2]" 1
205 1 37 GLU HA 1 86 THR H 1.800 . 4.000 3.552 3.141 3.915 . 0 0 "[ . 1 . 2]" 1
206 1 38 GLY QA 1 52 LEU H 1.800 . 5.000 3.873 3.220 4.298 . 0 0 "[ . 1 . 2]" 1
207 1 39 ILE HA 1 84 ILE H 1.800 . 4.000 3.761 3.494 3.944 . 0 0 "[ . 1 . 2]" 1
208 1 40 VAL HA 1 50 ARG H 1.800 . 4.000 3.925 3.313 4.039 0.039 17 0 "[ . 1 . 2]" 1
209 1 41 TYR HA 1 81 GLY H 1.800 . 4.000 3.643 3.167 4.056 0.056 12 0 "[ . 1 . 2]" 1
210 1 48 LYS HA 1 61 LEU H 1.800 . 4.000 2.114 1.851 2.668 . 0 0 "[ . 1 . 2]" 1
211 1 41 TYR H 1 49 VAL HA 1.800 . 4.000 3.979 3.777 4.043 0.043 7 0 "[ . 1 . 2]" 1
212 1 39 ILE H 1 51 LEU HA 1.800 . 4.000 3.756 3.306 4.008 0.008 6 0 "[ . 1 . 2]" 1
213 1 59 CYS HA 1 96 VAL H 1.800 . 4.000 2.218 1.924 2.644 . 0 0 "[ . 1 . 2]" 1
214 1 38 GLY H 1 85 LYS HA 1.800 . 4.000 3.731 3.516 3.907 . 0 0 "[ . 1 . 2]" 1
215 1 86 THR HA 1 101 PHE H 1.800 . 4.000 3.600 1.870 4.034 0.034 6 0 "[ . 1 . 2]" 1
216 1 36 HIS H 1 87 ARG HA 1.800 . 4.000 3.732 3.408 3.992 . 0 0 "[ . 1 . 2]" 1
217 1 33 GLY H 1 89 VAL HA 1.800 . 5.000 4.506 3.171 4.994 . 0 0 "[ . 1 . 2]" 1
218 1 58 GLU H 1 94 LEU HA 1.800 . 4.000 3.145 2.607 3.657 . 0 0 "[ . 1 . 2]" 1
219 1 58 GLU H 1 95 TYR HA 1.800 . 4.000 3.994 3.891 4.038 0.038 3 0 "[ . 1 . 2]" 1
220 1 92 ASP H 1 96 VAL HA 1.800 . 4.000 2.933 2.371 3.452 . 0 0 "[ . 1 . 2]" 1
221 1 60 ILE H 1 97 ASP HA 1.800 . 4.000 3.046 2.773 3.204 . 0 0 "[ . 1 . 2]" 1
222 1 89 VAL H 1 98 LEU HA 1.800 . 4.000 2.380 2.126 2.793 . 0 0 "[ . 1 . 2]" 1
223 1 63 ASP H 1 99 ARG HA 1.800 . 5.000 3.285 2.442 3.952 . 0 0 "[ . 1 . 2]" 1
224 1 87 ARG H 1 100 ARG HA 1.800 . 4.000 2.785 1.965 3.550 . 0 0 "[ . 1 . 2]" 1
225 1 35 VAL HA 1 87 ARG HA 1.800 . 4.000 2.305 1.903 2.619 . 0 0 "[ . 1 . 2]" 1
226 1 37 GLU HA 1 85 LYS HA 1.800 . 4.000 2.265 2.053 2.528 . 0 0 "[ . 1 . 2]" 1
227 1 38 GLY QA 1 51 LEU HA 1.800 . 5.000 3.152 2.894 3.293 . 0 0 "[ . 1 . 2]" 1
228 1 39 ILE HA 1 83 VAL HA 1.800 . 4.000 2.288 1.977 2.723 . 0 0 "[ . 1 . 2]" 1
229 1 48 LYS HA 1 60 ILE HA 1.800 . 4.000 2.079 1.844 2.468 . 0 0 "[ . 1 . 2]" 1
230 1 91 ALA HA 1 96 VAL HA 1.800 . 3.000 2.554 2.075 2.812 . 0 0 "[ . 1 . 2]" 1
231 1 86 THR HA 1 100 ARG HA 1.800 . 4.000 3.050 1.831 3.511 . 0 0 "[ . 1 . 2]" 1
232 1 33 GLY H 1 87 ARG QB 1.800 . 6.400 4.789 3.864 5.491 . 0 0 "[ . 1 . 2]" 1
233 1 33 GLY H 1 88 VAL QG 1.800 . 6.400 3.844 3.076 4.735 . 0 0 "[ . 1 . 2]" 1
234 1 34 SER H 1 88 VAL QG 1.800 . 6.400 3.498 2.407 4.307 . 0 0 "[ . 1 . 2]" 1
235 1 34 SER H 1 88 VAL HB 1.800 . 4.000 3.106 2.225 3.803 . 0 0 "[ . 1 . 2]" 1
236 1 36 HIS H 1 87 ARG QD 1.800 . 6.000 4.040 3.541 4.291 . 0 0 "[ . 1 . 2]" 1
237 1 38 GLY H 1 83 VAL QG 1.800 . 6.400 3.105 2.245 4.561 . 0 0 "[ . 1 . 2]" 1
238 1 38 GLY H 1 84 ILE MD 1.800 . 5.000 2.946 2.640 3.929 . 0 0 "[ . 1 . 2]" 1
239 1 38 GLY H 1 84 ILE QG 1.800 . 5.000 4.259 4.109 4.360 . 0 0 "[ . 1 . 2]" 1
240 1 38 GLY H 1 51 LEU QD 1.800 . 7.400 4.700 4.187 5.501 . 0 0 "[ . 1 . 2]" 1
241 1 39 ILE H 1 50 ARG QB 1.800 . 6.000 3.671 3.134 4.585 . 0 0 "[ . 1 . 2]" 1
242 1 39 ILE H 1 49 VAL QG 1.800 . 6.400 3.055 2.659 3.359 . 0 0 "[ . 1 . 2]" 1
243 1 39 ILE H 1 51 LEU QD 1.800 . 7.400 4.066 3.472 4.991 . 0 0 "[ . 1 . 2]" 1
244 1 40 VAL H 1 84 ILE MD 1.800 . 6.000 4.165 3.647 4.949 . 0 0 "[ . 1 . 2]" 1
245 1 40 VAL H 1 84 ILE MG 1.800 . 6.000 4.706 4.304 4.887 . 0 0 "[ . 1 . 2]" 1
246 1 41 TYR H 1 49 VAL QG 1.800 . 7.400 4.079 3.699 4.250 . 0 0 "[ . 1 . 2]" 1
247 1 42 PHE H 1 80 VAL QG 1.800 . 7.400 2.862 2.025 3.537 . 0 0 "[ . 1 . 2]" 1
248 1 43 LYS H 1 80 VAL QG 1.800 . 7.400 5.117 4.612 5.509 . 0 0 "[ . 1 . 2]" 1
249 1 43 LYS H 1 47 PHE QB 1.800 . 6.000 5.290 4.614 5.436 . 0 0 "[ . 1 . 2]" 1
250 1 49 VAL H 1 58 GLU QG 1.800 . 6.000 4.953 4.385 5.354 . 0 0 "[ . 1 . 2]" 1
251 1 49 VAL H 1 59 CYS QB 1.800 . 5.000 3.361 2.981 3.690 . 0 0 "[ . 1 . 2]" 1
252 1 39 ILE QG 1 50 ARG H 1.800 . 6.000 4.525 3.815 5.229 . 0 0 "[ . 1 . 2]" 1
253 1 39 ILE MG 1 50 ARG H 1.800 . 6.000 4.179 3.464 4.556 . 0 0 "[ . 1 . 2]" 1
254 1 51 LEU H 1 54 TYR QB 1.800 . 6.000 5.168 4.898 5.380 . 0 0 "[ . 1 . 2]" 1
255 1 51 LEU QB 1 54 TYR H 1.800 . 5.000 3.560 3.264 3.904 . 0 0 "[ . 1 . 2]" 1
256 1 51 LEU QD 1 54 TYR H 1.800 . 7.400 3.974 2.867 5.041 . 0 0 "[ . 1 . 2]" 1
257 1 54 TYR QB 1 57 HIS H 1.800 . 6.000 3.468 2.526 4.564 . 0 0 "[ . 1 . 2]" 1
258 1 58 GLU H 1 94 LEU HG 1.800 . 5.000 4.107 2.852 4.970 . 0 0 "[ . 1 . 2]" 1
259 1 58 GLU H 1 94 LEU QB 1.800 . 5.000 4.092 3.625 4.544 . 0 0 "[ . 1 . 2]" 1
260 1 58 GLU H 1 96 VAL QG 1.800 . 7.400 3.845 3.244 4.224 . 0 0 "[ . 1 . 2]" 1
261 1 49 VAL HB 1 59 CYS H 1.800 . 4.000 3.955 3.714 4.043 0.043 11 0 "[ . 1 . 2]" 1
262 1 49 VAL QG 1 59 CYS H 1.800 . 7.400 4.171 3.695 4.416 . 0 0 "[ . 1 . 2]" 1
263 1 60 ILE H 1 96 VAL HB 1.800 . 4.000 3.923 3.282 4.041 0.041 1 0 "[ . 1 . 2]" 1
264 1 60 ILE H 1 96 VAL QG 1.800 . 7.400 3.898 3.618 4.089 . 0 0 "[ . 1 . 2]" 1
265 1 62 LEU H 1 98 LEU QB 1.800 . 6.000 3.641 3.170 4.913 . 0 0 "[ . 1 . 2]" 1
266 1 61 LEU HG 1 64 TYR H 1.800 . 5.000 3.477 2.557 5.008 0.008 1 0 "[ . 1 . 2]" 1
267 1 64 TYR H 1 98 LEU QD 1.800 . 7.400 5.169 4.892 5.560 . 0 0 "[ . 1 . 2]" 1
268 1 64 TYR H 1 98 LEU QB 1.800 . 6.000 5.162 5.054 5.296 . 0 0 "[ . 1 . 2]" 1
269 1 64 TYR H 1 99 ARG QD 1.800 . 6.000 5.126 4.388 5.385 . 0 0 "[ . 1 . 2]" 1
270 1 79 LEU H 1 80 VAL HB 1.800 . 5.000 4.915 4.414 5.041 0.041 7 0 "[ . 1 . 2]" 1
271 1 76 LYS QB 1 80 VAL H 1.800 . 6.000 4.721 4.134 5.217 . 0 0 "[ . 1 . 2]" 1
272 1 39 ILE MG 1 81 GLY H 1.800 . 6.000 4.270 3.787 4.814 . 0 0 "[ . 1 . 2]" 1
273 1 40 VAL HB 1 81 GLY H 1.800 . 4.000 2.228 1.856 4.053 0.053 12 0 "[ . 1 . 2]" 1
274 1 40 VAL HB 1 82 ARG H 1.800 . 4.000 3.795 3.390 4.029 0.029 12 0 "[ . 1 . 2]" 1
275 1 79 LEU QB 1 82 ARG H 1.800 . 6.000 4.586 3.226 5.388 . 0 0 "[ . 1 . 2]" 1
276 1 35 VAL QG 1 86 THR H 1.800 . 7.400 4.530 2.605 5.562 . 0 0 "[ . 1 . 2]" 1
277 1 86 THR H 1 87 ARG QD 1.800 . 5.000 4.378 4.146 4.530 . 0 0 "[ . 1 . 2]" 1
278 1 87 ARG H 1 98 LEU QD 1.800 . 7.400 2.874 2.659 4.094 . 0 0 "[ . 1 . 2]" 1
279 1 49 VAL QG 1 87 ARG H 1.800 . 7.400 5.383 5.153 5.472 . 0 0 "[ . 1 . 2]" 1
280 1 90 ARG H 1 96 VAL QG 1.800 . 7.400 2.836 2.536 3.060 . 0 0 "[ . 1 . 2]" 1
281 1 90 ARG H 1 97 ASP QB 1.800 . 5.000 2.755 1.915 4.354 . 0 0 "[ . 1 . 2]" 1
282 1 92 ASP H 1 96 VAL QG 1.800 . 6.400 2.183 1.831 3.017 . 0 0 "[ . 1 . 2]" 1
283 1 92 ASP H 1 95 TYR QB 1.800 . 6.000 4.967 4.414 5.331 . 0 0 "[ . 1 . 2]" 1
284 1 95 TYR H 1 96 VAL QG 1.800 . 7.400 3.901 3.600 4.167 . 0 0 "[ . 1 . 2]" 1
285 1 98 LEU QD 1 100 ARG H 1.800 . 6.400 4.109 3.699 4.335 . 0 0 "[ . 1 . 2]" 1
286 1 86 THR MG 1 100 ARG H 1.800 . 6.000 4.146 3.291 4.865 . 0 0 "[ . 1 . 2]" 1
287 1 86 THR MG 1 101 PHE H 1.800 . 6.000 3.869 3.154 4.766 . 0 0 "[ . 1 . 2]" 1
288 1 33 GLY QA 1 88 VAL QG 1.800 . 8.400 4.762 3.838 5.490 . 0 0 "[ . 1 . 2]" 1
289 1 38 GLY QA 1 49 VAL QG 1.800 . 7.400 2.413 2.164 2.884 . 0 0 "[ . 1 . 2]" 1
290 1 38 GLY QA 1 51 LEU QD 1.800 . 7.400 2.752 2.285 3.573 . 0 0 "[ . 1 . 2]" 1
291 1 41 TYR HA 1 80 VAL QG 1.800 . 7.400 2.563 1.971 3.252 . 0 0 "[ . 1 . 2]" 1
292 1 57 HIS HA 1 94 LEU QB 1.800 . 6.000 5.027 4.639 5.350 . 0 0 "[ . 1 . 2]" 1
293 1 57 HIS HA 1 94 LEU HG 1.800 . 5.000 4.317 3.368 5.002 0.002 11 0 "[ . 1 . 2]" 1
294 1 59 CYS HA 1 96 VAL HB 1.800 . 5.000 2.250 1.863 2.558 . 0 0 "[ . 1 . 2]" 1
295 1 59 CYS HA 1 96 VAL QG 1.800 . 6.400 3.204 2.803 3.419 . 0 0 "[ . 1 . 2]" 1
296 1 40 VAL HB 1 80 VAL HA 1.800 . 5.000 3.320 2.733 4.580 . 0 0 "[ . 1 . 2]" 1
297 1 40 VAL QG 1 80 VAL HA 1.800 . 7.400 2.909 2.116 4.468 . 0 0 "[ . 1 . 2]" 1
298 1 89 VAL HA 1 98 LEU QD 1.800 . 6.400 4.734 4.459 4.812 . 0 0 "[ . 1 . 2]" 1
299 1 91 ALA HA 1 96 VAL QG 1.800 . 6.400 1.661 1.608 1.765 0.192 16 0 "[ . 1 . 2]" 1
300 1 57 HIS HD2 1 94 LEU HA 1.800 . 4.000 3.584 2.539 3.937 . 0 0 "[ . 1 . 2]" 1
301 1 60 ILE HB 1 97 ASP HA 1.800 . 5.000 4.847 4.403 5.016 0.016 11 0 "[ . 1 . 2]" 1
302 1 60 ILE MG 1 97 ASP HA 1.800 . 6.000 4.588 3.715 5.034 . 0 0 "[ . 1 . 2]" 1
303 1 96 VAL QG 1 98 LEU HA 1.800 . 7.400 4.066 3.907 4.604 . 0 0 "[ . 1 . 2]" 1
304 1 89 VAL QG 1 98 LEU HA 1.800 . 7.400 2.554 1.838 2.841 . 0 0 "[ . 1 . 2]" 1
305 1 30 LEU HG 1 96 VAL QG 1.800 . 7.400 4.884 3.941 5.442 . 0 0 "[ . 1 . 2]" 1
306 1 35 VAL QG 1 85 LYS QD 1.800 . 8.400 3.411 1.889 4.552 . 0 0 "[ . 1 . 2]" 1
307 1 36 HIS QB 1 51 LEU HG 1.800 . 6.000 4.825 4.326 5.285 . 0 0 "[ . 1 . 2]" 1
308 1 36 HIS HD2 1 88 VAL QG 1.800 . 7.400 3.626 1.843 5.331 . 0 0 "[ . 1 . 2]" 1
309 1 41 TYR QD 1 43 LYS QB 1.800 . 7.000 3.502 2.382 4.356 . 0 0 "[ . 1 . 2]" 1
310 1 41 TYR QD 1 43 LYS QG 1.800 . 7.000 3.783 2.823 4.612 . 0 0 "[ . 1 . 2]" 1
311 1 41 TYR QD 1 50 ARG QB 1.800 . 8.000 4.454 2.499 5.188 . 0 0 "[ . 1 . 2]" 1
312 1 41 TYR QE 1 43 LYS QB 1.800 . 8.000 4.695 2.250 6.047 . 0 0 "[ . 1 . 2]" 1
313 1 41 TYR QE 1 50 ARG QB 1.800 . 8.000 5.676 3.197 6.512 . 0 0 "[ . 1 . 2]" 1
314 1 41 TYR QE 1 48 LYS QD 1.800 . 8.000 5.052 3.289 6.202 . 0 0 "[ . 1 . 2]" 1
315 1 42 PHE QB 1 80 VAL QG 1.800 . 8.400 2.126 1.788 2.572 0.012 3 0 "[ . 1 . 2]" 1
316 1 49 VAL HB 1 59 CYS QB 1.800 . 5.000 1.957 1.843 2.177 . 0 0 "[ . 1 . 2]" 1
317 1 49 VAL QG 1 59 CYS QB 1.800 . 8.400 2.784 2.334 3.030 . 0 0 "[ . 1 . 2]" 1
318 1 49 VAL QG 1 51 LEU QD 1.800 . 8.800 2.800 2.127 3.935 . 0 0 "[ . 1 . 2]" 1
319 1 51 LEU QB 1 54 TYR QB 1.800 . 7.000 2.629 2.262 3.032 . 0 0 "[ . 1 . 2]" 1
320 1 51 LEU QB 1 54 TYR QD 1.800 . 8.000 3.961 2.558 4.771 . 0 0 "[ . 1 . 2]" 1
321 1 51 LEU QD 1 54 TYR QB 1.800 . 8.400 3.098 2.174 3.991 . 0 0 "[ . 1 . 2]" 1
322 1 51 LEU HG 1 54 TYR QD 1.800 . 7.000 4.921 2.762 5.931 . 0 0 "[ . 1 . 2]" 1
323 1 51 LEU QD 1 54 TYR QD 1.800 . 9.400 3.587 1.926 5.065 . 0 0 "[ . 1 . 2]" 1
324 1 57 HIS HD2 1 96 VAL QG 1.800 . 6.400 3.173 2.226 4.055 . 0 0 "[ . 1 . 2]" 1
325 1 88 VAL QG 1 96 VAL QG 1.800 . 8.800 2.310 2.058 2.765 . 0 0 "[ . 1 . 2]" 1
326 1 88 VAL QG 1 91 ALA MB 1.800 . 7.400 2.488 1.998 2.841 . 0 0 "[ . 1 . 2]" 1
327 1 89 VAL QG 1 99 ARG QG 1.800 . 7.400 2.594 1.694 3.440 0.106 8 0 "[ . 1 . 2]" 1
328 1 91 ALA MB 1 96 VAL QG 1.800 . 8.400 1.713 1.596 1.904 0.204 20 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 48
_Distance_constraint_stats_list.Viol_count 316
_Distance_constraint_stats_list.Viol_total 236.772
_Distance_constraint_stats_list.Viol_max 0.179
_Distance_constraint_stats_list.Viol_rms 0.0240
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0123
_Distance_constraint_stats_list.Viol_average_violations_only 0.0375
_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 34 SER 0.068 0.022 1 0 "[ . 1 . 2]"
1 36 HIS 0.353 0.054 8 0 "[ . 1 . 2]"
1 38 GLY 0.283 0.049 10 0 "[ . 1 . 2]"
1 39 ILE 0.178 0.034 2 0 "[ . 1 . 2]"
1 40 VAL 1.383 0.117 17 0 "[ . 1 . 2]"
1 41 TYR 0.977 0.074 5 0 "[ . 1 . 2]"
1 47 PHE 1.204 0.097 2 0 "[ . 1 . 2]"
1 48 LYS 0.977 0.074 5 0 "[ . 1 . 2]"
1 49 VAL 0.030 0.011 14 0 "[ . 1 . 2]"
1 50 ARG 0.178 0.034 2 0 "[ . 1 . 2]"
1 51 LEU 0.784 0.095 8 0 "[ . 1 . 2]"
1 57 HIS 0.784 0.095 8 0 "[ . 1 . 2]"
1 58 GLU 0.473 0.049 18 0 "[ . 1 . 2]"
1 59 CYS 0.030 0.011 14 0 "[ . 1 . 2]"
1 60 ILE 1.143 0.085 18 0 "[ . 1 . 2]"
1 61 LEU 1.204 0.097 2 0 "[ . 1 . 2]"
1 62 LEU 1.477 0.108 10 0 "[ . 1 . 2]"
1 76 LYS 0.090 0.027 12 0 "[ . 1 . 2]"
1 79 LEU 0.865 0.082 13 0 "[ . 1 . 2]"
1 80 VAL 0.090 0.027 12 0 "[ . 1 . 2]"
1 81 GLY 1.383 0.117 17 0 "[ . 1 . 2]"
1 82 ARG 0.865 0.082 13 0 "[ . 1 . 2]"
1 84 ILE 0.283 0.049 10 0 "[ . 1 . 2]"
1 86 THR 0.353 0.054 8 0 "[ . 1 . 2]"
1 87 ARG 1.956 0.179 13 0 "[ . 1 . 2]"
1 88 VAL 0.068 0.022 1 0 "[ . 1 . 2]"
1 89 VAL 0.167 0.025 12 0 "[ . 1 . 2]"
1 90 ARG 0.408 0.087 14 0 "[ . 1 . 2]"
1 96 VAL 0.533 0.049 18 0 "[ . 1 . 2]"
1 97 ASP 0.575 0.087 14 0 "[ . 1 . 2]"
1 98 LEU 2.560 0.108 10 0 "[ . 1 . 2]"
1 99 ARG 1.956 0.179 13 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 36 HIS H 1 86 THR O 1.800 . 2.200 2.186 2.100 2.254 0.054 8 0 "[ . 1 . 2]" 2
2 1 36 HIS N 1 86 THR O 2.800 2.800 3.300 3.070 2.927 3.217 . 0 0 "[ . 1 . 2]" 2
3 1 38 GLY H 1 84 ILE O 1.800 . 2.200 2.165 2.081 2.226 0.026 5 0 "[ . 1 . 2]" 2
4 1 38 GLY N 1 84 ILE O 2.800 2.800 3.300 3.071 3.007 3.143 . 0 0 "[ . 1 . 2]" 2
5 1 39 ILE H 1 50 ARG O 1.800 . 2.200 2.142 2.099 2.234 0.034 2 0 "[ . 1 . 2]" 2
6 1 39 ILE N 1 50 ARG O 2.800 2.800 3.300 3.111 3.035 3.215 . 0 0 "[ . 1 . 2]" 2
7 1 41 TYR H 1 48 LYS O 1.800 . 2.200 2.203 2.095 2.274 0.074 5 0 "[ . 1 . 2]" 2
8 1 41 TYR N 1 48 LYS O 2.800 2.800 3.300 2.787 2.740 2.866 0.060 16 0 "[ . 1 . 2]" 2
9 1 41 TYR O 1 48 LYS H 1.800 . 2.200 2.163 2.089 2.207 0.007 8 0 "[ . 1 . 2]" 2
10 1 41 TYR O 1 48 LYS N 2.800 2.800 3.300 2.949 2.745 3.145 0.055 8 0 "[ . 1 . 2]" 2
11 1 49 VAL H 1 59 CYS O 1.800 . 2.200 2.128 2.089 2.203 0.003 9 0 "[ . 1 . 2]" 2
12 1 49 VAL N 1 59 CYS O 2.800 2.800 3.300 2.955 2.789 3.147 0.011 14 0 "[ . 1 . 2]" 2
13 1 39 ILE O 1 50 ARG H 1.800 . 2.200 2.181 2.104 2.226 0.026 7 0 "[ . 1 . 2]" 2
14 1 39 ILE O 1 50 ARG N 2.800 2.800 3.300 3.055 2.908 3.122 . 0 0 "[ . 1 . 2]" 2
15 1 60 ILE H 1 96 VAL O 1.800 . 2.200 2.108 2.075 2.224 0.024 11 0 "[ . 1 . 2]" 2
16 1 60 ILE N 1 96 VAL O 2.800 2.800 3.300 2.938 2.765 3.032 0.035 13 0 "[ . 1 . 2]" 2
17 1 47 PHE O 1 61 LEU H 1.800 . 2.200 2.119 2.075 2.215 0.015 15 0 "[ . 1 . 2]" 2
18 1 47 PHE O 1 61 LEU N 2.800 2.800 3.300 2.924 2.809 3.019 . 0 0 "[ . 1 . 2]" 2
19 1 62 LEU H 1 98 LEU O 1.800 . 2.200 2.274 2.216 2.308 0.108 10 0 "[ . 1 . 2]" 2
20 1 62 LEU N 1 98 LEU O 2.800 2.800 3.300 3.226 3.079 3.285 . 0 0 "[ . 1 . 2]" 2
21 1 76 LYS O 1 80 VAL H 1.800 . 2.200 2.121 2.054 2.227 0.027 12 0 "[ . 1 . 2]" 2
22 1 76 LYS O 1 80 VAL N 2.800 2.800 3.300 2.968 2.787 3.140 0.013 2 0 "[ . 1 . 2]" 2
23 1 38 GLY O 1 84 ILE H 1.800 . 2.200 2.173 2.079 2.249 0.049 10 0 "[ . 1 . 2]" 2
24 1 38 GLY O 1 84 ILE N 2.800 2.800 3.300 3.073 2.957 3.181 . 0 0 "[ . 1 . 2]" 2
25 1 36 HIS O 1 86 THR H 1.800 . 2.200 2.168 2.100 2.225 0.025 2 0 "[ . 1 . 2]" 2
26 1 36 HIS O 1 86 THR N 2.800 2.800 3.300 3.022 2.855 3.133 . 0 0 "[ . 1 . 2]" 2
27 1 87 ARG H 1 99 ARG O 1.800 . 2.200 2.233 2.121 2.308 0.108 13 0 "[ . 1 . 2]" 2
28 1 87 ARG N 1 99 ARG O 2.800 2.800 3.300 3.089 2.969 3.176 . 0 0 "[ . 1 . 2]" 2
29 1 34 SER O 1 88 VAL H 1.800 . 2.200 2.171 2.099 2.222 0.022 1 0 "[ . 1 . 2]" 2
30 1 34 SER O 1 88 VAL N 2.800 2.800 3.300 3.021 2.848 3.104 . 0 0 "[ . 1 . 2]" 2
31 1 89 VAL H 1 97 ASP O 1.800 . 2.200 2.183 2.099 2.225 0.025 12 0 "[ . 1 . 2]" 2
32 1 89 VAL N 1 97 ASP O 2.800 2.800 3.300 3.038 2.858 3.156 . 0 0 "[ . 1 . 2]" 2
33 1 58 GLU O 1 96 VAL H 1.800 . 2.200 2.221 2.148 2.249 0.049 18 0 "[ . 1 . 2]" 2
34 1 58 GLU O 1 96 VAL N 2.800 2.800 3.300 3.007 2.914 3.101 . 0 0 "[ . 1 . 2]" 2
35 1 60 ILE O 1 98 LEU H 1.800 . 2.200 2.197 2.110 2.266 0.066 13 0 "[ . 1 . 2]" 2
36 1 60 ILE O 1 98 LEU N 2.800 2.800 3.300 2.770 2.715 2.997 0.085 18 0 "[ . 1 . 2]" 2
37 1 87 ARG O 1 99 ARG H 1.800 . 2.200 2.260 2.212 2.379 0.179 13 0 "[ . 1 . 2]" 2
38 1 87 ARG O 1 99 ARG N 2.800 2.800 3.300 3.212 3.127 3.267 . 0 0 "[ . 1 . 2]" 2
39 1 40 VAL H 1 81 GLY O 1.800 . 2.200 2.269 2.221 2.317 0.117 17 0 "[ . 1 . 2]" 2
40 1 40 VAL N 1 81 GLY O 2.800 2.800 3.300 3.202 3.121 3.267 . 0 0 "[ . 1 . 2]" 2
41 1 47 PHE H 1 61 LEU O 1.800 . 2.200 2.259 2.210 2.297 0.097 2 0 "[ . 1 . 2]" 2
42 1 47 PHE N 1 61 LEU O 2.800 2.800 3.300 3.096 3.006 3.172 . 0 0 "[ . 1 . 2]" 2
43 1 51 LEU H 1 57 HIS O 1.800 . 2.200 2.239 2.186 2.295 0.095 8 0 "[ . 1 . 2]" 2
44 1 51 LEU N 1 57 HIS O 2.800 2.800 3.300 3.182 3.114 3.267 . 0 0 "[ . 1 . 2]" 2
45 1 79 LEU O 1 82 ARG H 1.800 . 2.200 2.240 2.139 2.282 0.082 13 0 "[ . 1 . 2]" 2
46 1 79 LEU O 1 82 ARG N 2.800 2.800 3.300 3.126 2.886 3.234 . 0 0 "[ . 1 . 2]" 2
47 1 90 ARG O 1 97 ASP H 1.800 . 2.200 2.214 2.144 2.287 0.087 14 0 "[ . 1 . 2]" 2
48 1 90 ARG O 1 97 ASP N 2.800 2.800 3.300 3.145 3.045 3.249 . 0 0 "[ . 1 . 2]" 2
stop_
save_
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