NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
401479 |
1vpu   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1vpu
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 287
_Distance_constraint_stats_list.Viol_count 525
_Distance_constraint_stats_list.Viol_total 817.552
_Distance_constraint_stats_list.Viol_max 0.745
_Distance_constraint_stats_list.Viol_rms 0.0882
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0352
_Distance_constraint_stats_list.Viol_average_violations_only 0.1730
_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 1 LEU 0.000 0.000 . 0 "[ . ]"
1 2 GLN 0.321 0.321 2 0 "[ . ]"
1 3 ILE 5.791 0.363 7 0 "[ . ]"
1 4 ASP 7.096 0.424 2 0 "[ . ]"
1 5 ARG 8.290 0.383 3 0 "[ . ]"
1 6 LEU 4.735 0.372 2 0 "[ . ]"
1 7 ILE 3.444 0.250 6 0 "[ . ]"
1 8 ASP 7.452 0.387 2 0 "[ . ]"
1 9 ARG 5.847 0.372 2 0 "[ . ]"
1 10 ILE 4.317 0.281 8 0 "[ . ]"
1 11 THR 2.501 0.251 5 0 "[ . ]"
1 12 GLU 3.352 0.259 5 0 "[ . ]"
1 13 ARG 5.340 0.403 8 0 "[ . ]"
1 14 ALA 3.621 0.290 5 0 "[ . ]"
1 15 GLU 6.642 0.303 7 0 "[ . ]"
1 16 ASP 0.000 0.000 . 0 "[ . ]"
1 17 SER 8.097 0.745 1 3 "[+ *.- ]"
1 18 GLY 1.849 0.368 8 0 "[ . ]"
1 19 ASN 0.289 0.089 9 0 "[ . ]"
1 20 GLU 0.445 0.172 3 0 "[ . ]"
1 21 SER 3.122 0.356 8 0 "[ . ]"
1 22 GLU 3.368 0.356 8 0 "[ . ]"
1 23 GLY 0.242 0.156 9 0 "[ . ]"
1 24 ASP 3.114 0.329 2 0 "[ . ]"
1 25 GLN 8.254 0.492 5 0 "[ . ]"
1 26 GLU 0.452 0.120 8 0 "[ . ]"
1 27 GLU 0.401 0.152 4 0 "[ . ]"
1 28 LEU 0.233 0.088 8 0 "[ . ]"
1 29 SER 2.347 0.305 4 0 "[ . ]"
1 30 ALA 2.993 0.348 7 0 "[ . ]"
1 31 LEU 7.063 0.348 7 0 "[ . ]"
1 32 VAL 7.083 0.422 4 0 "[ . ]"
1 33 GLU 6.686 0.422 4 0 "[ . ]"
1 34 ARG 4.736 0.400 2 0 "[ . ]"
1 35 GLY 0.000 0.000 . 0 "[ . ]"
1 36 HIS 2.973 0.453 4 0 "[ . ]"
1 37 LEU 1.227 0.230 9 0 "[ . ]"
1 38 ALA 0.464 0.105 4 0 "[ . ]"
1 39 PRO 12.501 0.387 2 0 "[ . ]"
1 40 TRP 6.875 0.316 6 0 "[ . ]"
1 41 ASP 0.682 0.135 7 0 "[ . ]"
1 42 VAL 5.396 0.745 1 3 "[+ *.- ]"
1 43 ASP 0.313 0.161 3 0 "[ . ]"
1 44 ASP 0.154 0.069 8 0 "[ . ]"
1 45 LEU 0.000 0.000 . 0 "[ . ]"
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 1 LEU HA 1 2 GLN H 1.800 . 4.000 2.562 2.193 3.632 . 0 0 "[ . ]" 1
2 1 2 GLN HA 1 2 GLN QG 1.800 . 5.500 2.477 1.992 3.426 . 0 0 "[ . ]" 1
3 1 2 GLN HA 1 3 ILE H 1.800 . 3.200 2.759 2.371 3.521 0.321 2 0 "[ . ]" 1
4 1 2 GLN HA 1 3 ILE HA 1.800 . 5.500 4.650 4.470 4.879 . 0 0 "[ . ]" 1
5 1 2 GLN HA 1 5 ARG HB2 1.800 . 5.500 3.125 2.571 4.243 . 0 0 "[ . ]" 1
6 1 2 GLN HA 1 5 ARG HB3 1.800 . 5.500 4.332 3.733 5.132 . 0 0 "[ . ]" 1
7 1 2 GLN HA 1 5 ARG QD 1.800 . 5.500 3.953 2.108 5.020 . 0 0 "[ . ]" 1
8 1 2 GLN HA 1 5 ARG QG 1.800 . 5.500 3.257 2.024 4.684 . 0 0 "[ . ]" 1
9 1 3 ILE H 1 3 ILE HB 1.800 . 3.200 2.755 2.452 3.266 0.066 7 0 "[ . ]" 1
10 1 3 ILE H 1 3 ILE HG12 1.800 . 4.000 2.713 1.839 3.550 . 0 0 "[ . ]" 1
11 1 3 ILE H 1 3 ILE HG13 1.800 . 3.200 2.741 2.233 3.494 0.294 4 0 "[ . ]" 1
12 1 3 ILE HA 1 4 ASP H 1.800 . 3.200 3.237 2.235 3.563 0.363 7 0 "[ . ]" 1
13 1 3 ILE HA 1 6 LEU HB2 1.800 . 5.500 5.564 5.322 5.759 0.259 2 0 "[ . ]" 1
14 1 3 ILE HG12 1 4 ASP H 1.800 . 5.500 4.388 3.982 5.111 . 0 0 "[ . ]" 1
15 1 3 ILE HG12 1 5 ARG H 1.800 . 5.500 5.650 5.188 5.814 0.314 8 0 "[ . ]" 1
16 1 4 ASP H 1 4 ASP HB2 1.800 . 4.000 3.455 2.537 3.776 . 0 0 "[ . ]" 1
17 1 4 ASP H 1 4 ASP HB3 1.800 . 3.200 2.992 2.473 3.624 0.424 2 0 "[ . ]" 1
18 1 4 ASP HA 1 5 ARG H 1.800 . 3.200 3.485 3.461 3.537 0.337 8 0 "[ . ]" 1
19 1 4 ASP HA 1 7 ILE HB 1.800 . 3.200 2.696 1.970 3.288 0.088 4 0 "[ . ]" 1
20 1 4 ASP HA 1 7 ILE HG12 1.800 . 4.000 3.757 2.392 4.114 0.114 8 0 "[ . ]" 1
21 1 4 ASP HB2 1 7 ILE H 1.800 . 5.500 5.275 4.752 5.683 0.183 8 0 "[ . ]" 1
22 1 5 ARG H 1 5 ARG HB2 1.800 . 3.200 2.382 2.207 2.624 . 0 0 "[ . ]" 1
23 1 5 ARG H 1 5 ARG HB3 1.800 . 3.200 3.536 3.490 3.583 0.383 3 0 "[ . ]" 1
24 1 5 ARG H 1 5 ARG QD 1.800 . 5.500 3.603 2.192 4.425 . 0 0 "[ . ]" 1
25 1 5 ARG H 1 5 ARG QG 1.800 . 3.200 2.394 1.955 2.901 . 0 0 "[ . ]" 1
26 1 5 ARG H 1 7 ILE H 1.800 . 5.500 4.240 3.846 4.499 . 0 0 "[ . ]" 1
27 1 5 ARG H 1 8 ASP HB2 1.800 . 5.500 5.615 5.516 5.696 0.196 4 0 "[ . ]" 1
28 1 5 ARG HA 1 8 ASP HB2 1.800 . 5.500 3.683 3.090 4.317 . 0 0 "[ . ]" 1
29 1 5 ARG HA 1 8 ASP HB3 1.800 . 5.500 3.761 2.493 4.858 . 0 0 "[ . ]" 1
30 1 5 ARG HB2 1 5 ARG HE 1.800 . 5.500 4.265 2.633 5.441 . 0 0 "[ . ]" 1
31 1 6 LEU H 1 6 LEU MD1 1.800 . 5.500 3.978 3.795 4.166 . 0 0 "[ . ]" 1
32 1 6 LEU H 1 6 LEU MD2 1.800 . 3.200 2.385 1.903 2.750 . 0 0 "[ . ]" 1
33 1 6 LEU H 1 7 ILE H 1.800 . 3.200 2.479 2.198 2.792 . 0 0 "[ . ]" 1
34 1 6 LEU HA 1 7 ILE H 1.800 . 4.000 3.489 3.453 3.513 . 0 0 "[ . ]" 1
35 1 6 LEU HA 1 9 ARG HB2 1.800 . 3.200 2.985 2.018 3.572 0.372 2 0 "[ . ]" 1
36 1 6 LEU HA 1 9 ARG HB3 1.800 . 3.200 2.517 1.976 3.511 0.311 8 0 "[ . ]" 1
37 1 6 LEU HB2 1 7 ILE H 1.800 . 4.000 3.787 3.613 3.873 . 0 0 "[ . ]" 1
38 1 6 LEU HB3 1 7 ILE H 1.800 . 4.000 3.304 3.027 3.617 . 0 0 "[ . ]" 1
39 1 6 LEU HG 1 39 PRO HD2 1.800 . 5.500 5.493 4.776 5.680 0.180 7 0 "[ . ]" 1
40 1 6 LEU HG 1 39 PRO HD3 1.800 . 5.500 5.573 5.304 5.823 0.323 9 0 "[ . ]" 1
41 1 7 ILE H 1 7 ILE HB 1.800 . 3.200 2.565 2.372 2.700 . 0 0 "[ . ]" 1
42 1 7 ILE H 1 7 ILE MD 1.800 . 4.000 3.337 2.929 3.430 . 0 0 "[ . ]" 1
43 1 7 ILE H 1 7 ILE HG12 1.800 . 3.200 2.982 1.888 3.309 0.109 8 0 "[ . ]" 1
44 1 7 ILE H 1 7 ILE HG13 1.800 . 3.200 2.259 1.883 3.450 0.250 6 0 "[ . ]" 1
45 1 7 ILE H 1 7 ILE MG 1.800 . 4.000 3.741 3.712 3.756 . 0 0 "[ . ]" 1
46 1 7 ILE H 1 8 ASP H 1.800 . 3.200 2.890 2.732 2.991 . 0 0 "[ . ]" 1
47 1 7 ILE H 1 8 ASP HA 1.800 . 5.500 5.483 5.403 5.547 0.047 5 0 "[ . ]" 1
48 1 7 ILE H 1 10 ILE H 1.800 . 5.500 4.754 4.680 4.852 . 0 0 "[ . ]" 1
49 1 7 ILE HA 1 8 ASP H 1.800 . 4.000 3.594 3.525 3.612 . 0 0 "[ . ]" 1
50 1 7 ILE HA 1 9 ARG H 1.800 . 5.500 4.192 3.916 4.524 . 0 0 "[ . ]" 1
51 1 7 ILE HA 1 10 ILE HB 1.800 . 3.200 3.334 3.245 3.394 0.194 3 0 "[ . ]" 1
52 1 7 ILE HA 1 10 ILE HG12 1.800 . 5.500 5.358 5.248 5.452 . 0 0 "[ . ]" 1
53 1 7 ILE HG13 1 39 PRO HD2 1.800 . 5.500 4.683 4.216 5.103 . 0 0 "[ . ]" 1
54 1 8 ASP H 1 8 ASP HB2 1.800 . 3.200 2.284 2.124 2.660 . 0 0 "[ . ]" 1
55 1 8 ASP H 1 8 ASP HB3 1.800 . 3.200 2.992 2.214 3.489 0.289 5 0 "[ . ]" 1
56 1 8 ASP H 1 9 ARG H 1.800 . 3.200 2.551 2.354 2.667 . 0 0 "[ . ]" 1
57 1 8 ASP HA 1 9 ARG H 1.800 . 3.200 3.408 3.265 3.493 0.293 1 0 "[ . ]" 1
58 1 8 ASP HA 1 11 THR HB 1.800 . 3.200 2.979 2.833 3.238 0.038 2 0 "[ . ]" 1
59 1 8 ASP HA 1 11 THR MG 1.800 . 4.000 2.393 1.876 3.266 . 0 0 "[ . ]" 1
60 1 8 ASP HA 1 39 PRO HD2 1.800 . 5.500 5.729 5.654 5.887 0.387 2 0 "[ . ]" 1
61 1 8 ASP HB2 1 9 ARG H 1.800 . 4.000 3.872 3.300 4.122 0.122 7 0 "[ . ]" 1
62 1 8 ASP HB2 1 11 THR HB 1.800 . 5.500 5.623 5.541 5.751 0.251 5 0 "[ . ]" 1
63 1 8 ASP HB3 1 9 ARG H 1.800 . 4.000 3.425 2.852 4.004 0.004 3 0 "[ . ]" 1
64 1 8 ASP HB3 1 11 THR H 1.800 . 5.500 5.524 5.238 5.707 0.207 2 0 "[ . ]" 1
65 1 9 ARG H 1 9 ARG HB2 1.800 . 3.200 2.897 2.101 3.307 0.107 2 0 "[ . ]" 1
66 1 9 ARG H 1 9 ARG HB3 1.800 . 3.200 2.515 1.971 3.528 0.328 8 0 "[ . ]" 1
67 1 9 ARG H 1 9 ARG QD 1.800 . 5.500 4.593 4.162 4.869 . 0 0 "[ . ]" 1
68 1 9 ARG H 1 9 ARG QG 1.800 . 4.000 3.132 2.567 3.438 . 0 0 "[ . ]" 1
69 1 9 ARG H 1 10 ILE H 1.800 . 4.000 2.424 2.113 2.701 . 0 0 "[ . ]" 1
70 1 9 ARG H 1 11 THR HB 1.800 . 5.500 5.089 4.850 5.482 . 0 0 "[ . ]" 1
71 1 9 ARG H 1 11 THR MG 1.800 . 5.500 4.095 3.565 4.434 . 0 0 "[ . ]" 1
72 1 9 ARG HB2 1 10 ILE H 1.800 . 4.000 3.416 2.137 4.073 0.073 2 0 "[ . ]" 1
73 1 9 ARG HB3 1 10 ILE H 1.800 . 3.200 2.927 2.648 3.215 0.015 2 0 "[ . ]" 1
74 1 9 ARG QD 1 10 ILE H 1.800 . 5.500 4.419 3.362 4.857 . 0 0 "[ . ]" 1
75 1 9 ARG QG 1 10 ILE H 1.800 . 4.000 2.916 2.095 4.048 0.048 5 0 "[ . ]" 1
76 1 10 ILE H 1 10 ILE HB 1.800 . 3.200 2.124 2.068 2.172 . 0 0 "[ . ]" 1
77 1 10 ILE H 1 10 ILE MD 1.800 . 4.000 2.210 2.046 2.324 . 0 0 "[ . ]" 1
78 1 10 ILE H 1 10 ILE HG13 1.800 . 4.000 3.801 3.728 3.937 . 0 0 "[ . ]" 1
79 1 10 ILE H 1 10 ILE MG 1.800 . 4.000 3.583 3.487 3.633 . 0 0 "[ . ]" 1
80 1 10 ILE HA 1 10 ILE MD 1.800 . 3.200 2.592 2.483 2.701 . 0 0 "[ . ]" 1
81 1 10 ILE HA 1 10 ILE HG12 1.800 . 3.200 3.437 3.396 3.481 0.281 8 0 "[ . ]" 1
82 1 10 ILE HA 1 10 ILE HG13 1.800 . 3.200 2.102 2.037 2.173 . 0 0 "[ . ]" 1
83 1 10 ILE HA 1 11 THR H 1.800 . 4.000 3.572 3.492 3.645 . 0 0 "[ . ]" 1
84 1 10 ILE HA 1 13 ARG HB3 1.800 . 4.000 3.774 2.745 4.149 0.149 6 0 "[ . ]" 1
85 1 10 ILE HA 1 13 ARG QD 1.800 . 5.500 4.410 3.251 5.137 . 0 0 "[ . ]" 1
86 1 10 ILE HA 1 13 ARG QG 1.800 . 4.000 2.755 1.970 3.451 . 0 0 "[ . ]" 1
87 1 10 ILE HB 1 10 ILE MD 1.800 . 3.200 2.173 2.082 2.246 . 0 0 "[ . ]" 1
88 1 10 ILE HG12 1 11 THR H 1.800 . 5.500 5.499 5.262 5.667 0.167 6 0 "[ . ]" 1
89 1 11 THR H 1 11 THR HB 1.800 . 3.200 2.437 2.205 2.603 . 0 0 "[ . ]" 1
90 1 11 THR H 1 11 THR MG 1.800 . 3.200 2.412 2.192 2.677 . 0 0 "[ . ]" 1
91 1 11 THR H 1 12 GLU H 1.800 . 4.000 2.920 2.571 3.194 . 0 0 "[ . ]" 1
92 1 11 THR HA 1 11 THR MG 1.800 . 4.000 3.205 3.182 3.227 . 0 0 "[ . ]" 1
93 1 11 THR HB 1 12 GLU H 1.800 . 4.000 3.995 3.773 4.119 0.119 8 0 "[ . ]" 1
94 1 11 THR HB 1 25 GLN HB2 1.800 . 5.500 4.813 3.502 5.570 0.070 1 0 "[ . ]" 1
95 1 11 THR HB 1 25 GLN QG 1.800 . 5.500 4.801 4.635 5.044 . 0 0 "[ . ]" 1
96 1 11 THR MG 1 12 GLU H 1.800 . 3.200 2.129 2.026 2.213 . 0 0 "[ . ]" 1
97 1 12 GLU H 1 12 GLU QG 1.800 . 4.000 2.344 2.046 2.582 . 0 0 "[ . ]" 1
98 1 12 GLU HA 1 15 GLU HB2 1.800 . 3.200 3.375 3.304 3.430 0.230 2 0 "[ . ]" 1
99 1 12 GLU HA 1 15 GLU HB3 1.800 . 3.200 3.359 3.293 3.459 0.259 5 0 "[ . ]" 1
100 1 13 ARG H 1 13 ARG HB2 1.800 . 3.200 3.240 2.450 3.603 0.403 8 0 "[ . ]" 1
101 1 13 ARG H 1 13 ARG HB3 1.800 . 3.200 2.855 2.311 3.569 0.369 2 0 "[ . ]" 1
102 1 13 ARG H 1 13 ARG QD 1.800 . 5.500 4.171 3.745 4.432 . 0 0 "[ . ]" 1
103 1 13 ARG H 1 13 ARG QG 1.800 . 3.200 2.305 1.814 2.801 . 0 0 "[ . ]" 1
104 1 13 ARG HB2 1 15 GLU H 1.800 . 5.500 5.352 4.508 5.803 0.303 7 0 "[ . ]" 1
105 1 13 ARG HB3 1 13 ARG HE 1.800 . 4.000 3.562 2.714 4.204 0.204 6 0 "[ . ]" 1
106 1 13 ARG QG 1 15 GLU H 1.800 . 5.500 4.364 3.892 5.278 . 0 0 "[ . ]" 1
107 1 14 ALA H 1 14 ALA MB 1.800 . 3.200 2.297 2.225 2.344 . 0 0 "[ . ]" 1
108 1 14 ALA H 1 17 SER HB2 1.800 . 5.500 5.648 5.527 5.790 0.290 4 0 "[ . ]" 1
109 1 14 ALA HA 1 15 GLU H 1.800 . 3.200 3.455 3.433 3.490 0.290 5 0 "[ . ]" 1
110 1 14 ALA MB 1 15 GLU H 1.800 . 3.200 2.634 2.424 2.705 . 0 0 "[ . ]" 1
111 1 15 GLU H 1 15 GLU HB2 1.800 . 4.000 3.660 3.626 3.710 . 0 0 "[ . ]" 1
112 1 15 GLU H 1 15 GLU HB3 1.800 . 3.200 2.804 2.770 2.858 . 0 0 "[ . ]" 1
113 1 15 GLU H 1 15 GLU QG 1.800 . 4.000 3.785 3.742 3.849 . 0 0 "[ . ]" 1
114 1 15 GLU H 1 16 ASP H 1.800 . 5.500 3.202 2.865 3.694 . 0 0 "[ . ]" 1
115 1 15 GLU HA 1 16 ASP H 1.800 . 4.000 3.342 3.053 3.659 . 0 0 "[ . ]" 1
116 1 15 GLU HA 1 18 GLY H 1.800 . 5.500 3.639 2.920 5.334 . 0 0 "[ . ]" 1
117 1 15 GLU QG 1 16 ASP H 1.800 . 4.000 3.148 2.329 3.703 . 0 0 "[ . ]" 1
118 1 16 ASP HA 1 17 SER H 1.800 . 4.000 3.579 3.540 3.633 . 0 0 "[ . ]" 1
119 1 17 SER H 1 17 SER HB3 1.800 . 4.000 3.504 3.246 3.654 . 0 0 "[ . ]" 1
120 1 17 SER H 1 18 GLY H 1.800 . 4.000 3.037 2.743 3.846 . 0 0 "[ . ]" 1
121 1 17 SER H 1 42 VAL H 1.800 . 5.500 5.678 5.341 5.816 0.316 1 0 "[ . ]" 1
122 1 17 SER HA 1 18 GLY H 1.800 . 3.200 3.247 2.364 3.568 0.368 8 0 "[ . ]" 1
123 1 17 SER HA 1 18 GLY QA 1.800 . 5.500 4.401 4.008 4.591 . 0 0 "[ . ]" 1
124 1 17 SER HA 1 20 GLU HB2 1.800 . 5.500 3.878 2.506 5.574 0.074 9 0 "[ . ]" 1
125 1 17 SER HA 1 20 GLU HB3 1.800 . 4.000 3.757 2.959 4.172 0.172 3 0 "[ . ]" 1
126 1 17 SER HA 1 20 GLU QG 1.800 . 5.500 4.171 1.710 4.882 0.090 3 0 "[ . ]" 1
127 1 17 SER HA 1 25 GLN HB2 1.800 . 5.500 5.534 5.195 5.669 0.169 3 0 "[ . ]" 1
128 1 17 SER HB2 1 18 GLY H 1.800 . 5.500 3.466 2.593 4.675 . 0 0 "[ . ]" 1
129 1 17 SER HB2 1 42 VAL H 1.800 . 5.500 5.231 3.504 6.245 0.745 1 3 "[+ *.- ]" 1
130 1 18 GLY QA 1 19 ASN H 1.800 . 4.000 2.723 2.570 2.911 . 0 0 "[ . ]" 1
131 1 18 GLY QA 1 19 ASN HA 1.800 . 5.500 4.070 4.038 4.104 . 0 0 "[ . ]" 1
132 1 19 ASN H 1 19 ASN HB3 1.800 . 3.200 2.661 2.535 2.989 . 0 0 "[ . ]" 1
133 1 19 ASN HA 1 19 ASN HD21 1.800 . 5.500 4.159 3.906 4.370 . 0 0 "[ . ]" 1
134 1 19 ASN HA 1 20 GLU HA 1.800 . 5.500 4.842 4.759 4.966 . 0 0 "[ . ]" 1
135 1 19 ASN HA 1 22 GLU HB2 1.800 . 5.500 4.368 3.424 5.589 0.089 9 0 "[ . ]" 1
136 1 19 ASN HA 1 22 GLU HB3 1.800 . 5.500 5.037 3.249 5.568 0.068 6 0 "[ . ]" 1
137 1 19 ASN HA 1 22 GLU QG 1.800 . 5.500 4.072 2.195 4.797 . 0 0 "[ . ]" 1
138 1 19 ASN HB2 1 20 GLU H 1.800 . 5.500 3.980 3.724 4.156 . 0 0 "[ . ]" 1
139 1 19 ASN HB3 1 20 GLU H 1.800 . 5.500 3.206 2.370 4.192 . 0 0 "[ . ]" 1
140 1 20 GLU H 1 21 SER H 1.800 . 5.500 3.505 2.781 4.517 . 0 0 "[ . ]" 1
141 1 20 GLU HA 1 21 SER H 1.800 . 4.000 2.993 2.178 3.635 . 0 0 "[ . ]" 1
142 1 21 SER H 1 21 SER HB2 1.800 . 3.200 2.925 2.342 3.408 0.208 7 0 "[ . ]" 1
143 1 21 SER HA 1 22 GLU H 1.800 . 3.200 3.399 2.716 3.556 0.356 8 0 "[ . ]" 1
144 1 21 SER HA 1 24 ASP HB3 1.800 . 5.500 4.610 3.372 5.317 . 0 0 "[ . ]" 1
145 1 21 SER HB2 1 22 GLU H 1.800 . 4.000 3.301 2.135 4.323 0.323 3 0 "[ . ]" 1
146 1 21 SER HB3 1 22 GLU H 1.800 . 5.500 3.406 2.274 4.336 . 0 0 "[ . ]" 1
147 1 22 GLU H 1 25 GLN HB2 1.800 . 5.500 5.386 5.001 5.836 0.336 9 0 "[ . ]" 1
148 1 22 GLU HA 1 23 GLY H 1.800 . 5.500 2.850 2.154 3.619 . 0 0 "[ . ]" 1
149 1 22 GLU QG 1 23 GLY H 1.800 . 5.500 3.563 2.269 4.714 . 0 0 "[ . ]" 1
150 1 23 GLY H 1 25 GLN HE22 1.800 . 5.500 4.967 3.470 5.656 0.156 9 0 "[ . ]" 1
151 1 23 GLY QA 1 24 ASP H 1.800 . 3.200 2.820 2.565 2.974 . 0 0 "[ . ]" 1
152 1 23 GLY QA 1 24 ASP HB3 1.800 . 5.500 4.979 4.811 5.132 . 0 0 "[ . ]" 1
153 1 23 GLY QA 1 25 GLN H 1.800 . 4.000 3.739 3.487 3.900 . 0 0 "[ . ]" 1
154 1 23 GLY QA 1 26 GLU HB2 1.800 . 5.500 3.673 2.632 4.808 . 0 0 "[ . ]" 1
155 1 23 GLY QA 1 26 GLU HB3 1.800 . 5.500 3.492 2.606 4.620 . 0 0 "[ . ]" 1
156 1 23 GLY QA 1 26 GLU QG 1.800 . 5.500 3.462 1.842 4.402 . 0 0 "[ . ]" 1
157 1 24 ASP H 1 24 ASP HB3 1.800 . 4.000 2.604 2.506 2.824 . 0 0 "[ . ]" 1
158 1 24 ASP H 1 25 GLN H 1.800 . 4.000 2.796 2.597 2.981 . 0 0 "[ . ]" 1
159 1 24 ASP HA 1 25 GLN H 1.800 . 3.200 3.511 3.491 3.529 0.329 2 0 "[ . ]" 1
160 1 24 ASP HA 1 27 GLU HB2 1.800 . 5.500 4.647 3.948 5.587 0.087 5 0 "[ . ]" 1
161 1 24 ASP HA 1 27 GLU HB3 1.800 . 5.500 4.139 3.170 5.353 . 0 0 "[ . ]" 1
162 1 24 ASP HB2 1 25 GLN H 1.800 . 4.000 3.943 3.817 4.090 0.090 5 0 "[ . ]" 1
163 1 24 ASP HB3 1 25 GLN H 1.800 . 4.000 3.194 2.669 4.061 0.061 8 0 "[ . ]" 1
164 1 25 GLN H 1 25 GLN HB2 1.800 . 4.000 2.328 2.022 2.775 . 0 0 "[ . ]" 1
165 1 25 GLN H 1 25 GLN HB3 1.800 . 3.200 3.539 3.392 3.692 0.492 5 0 "[ . ]" 1
166 1 25 GLN H 1 25 GLN HE22 1.800 . 5.500 3.839 3.315 4.300 . 0 0 "[ . ]" 1
167 1 25 GLN H 1 25 GLN QG 1.800 . 4.000 2.871 2.302 3.109 . 0 0 "[ . ]" 1
168 1 25 GLN HA 1 25 GLN HE21 1.800 . 5.500 4.277 3.905 4.838 . 0 0 "[ . ]" 1
169 1 25 GLN HA 1 25 GLN HE22 1.800 . 5.500 5.440 5.293 5.536 0.036 5 0 "[ . ]" 1
170 1 25 GLN HA 1 25 GLN QG 1.800 . 3.200 2.172 2.027 2.521 . 0 0 "[ . ]" 1
171 1 25 GLN HA 1 28 LEU H 1.800 . 5.500 4.336 3.500 5.303 . 0 0 "[ . ]" 1
172 1 25 GLN HB2 1 26 GLU H 1.800 . 4.000 3.174 2.590 4.009 0.009 8 0 "[ . ]" 1
173 1 25 GLN HB3 1 39 PRO HD2 1.800 . 5.500 5.528 5.107 5.684 0.184 2 0 "[ . ]" 1
174 1 25 GLN QG 1 29 SER H 1.800 . 5.500 4.736 4.111 4.959 . 0 0 "[ . ]" 1
175 1 26 GLU HA 1 29 SER HB2 1.800 . 4.000 3.985 3.653 4.120 0.120 8 0 "[ . ]" 1
176 1 27 GLU H 1 27 GLU HB3 1.800 . 3.200 2.928 2.631 3.352 0.152 4 0 "[ . ]" 1
177 1 27 GLU HA 1 28 LEU H 1.800 . 5.500 3.522 2.852 3.627 . 0 0 "[ . ]" 1
178 1 28 LEU H 1 28 LEU QD 1.800 . 5.500 3.189 2.724 3.989 . 0 0 "[ . ]" 1
179 1 28 LEU H 1 28 LEU HG 1.800 . 5.500 4.076 2.699 4.792 . 0 0 "[ . ]" 1
180 1 28 LEU H 1 29 SER H 1.800 . 5.500 2.596 2.122 3.089 . 0 0 "[ . ]" 1
181 1 28 LEU HA 1 29 SER H 1.800 . 4.000 3.544 3.195 3.629 . 0 0 "[ . ]" 1
182 1 28 LEU HA 1 31 LEU HG 1.800 . 5.500 4.347 2.867 5.588 0.088 8 0 "[ . ]" 1
183 1 28 LEU HG 1 32 VAL H 1.800 . 5.500 4.842 3.638 5.588 0.088 2 0 "[ . ]" 1
184 1 29 SER H 1 29 SER HB2 1.800 . 3.200 2.780 2.109 3.255 0.055 6 0 "[ . ]" 1
185 1 29 SER H 1 29 SER HB3 1.800 . 3.200 3.328 2.819 3.505 0.305 4 0 "[ . ]" 1
186 1 29 SER H 1 31 LEU H 1.800 . 5.500 4.916 4.579 5.582 0.082 5 0 "[ . ]" 1
187 1 29 SER HA 1 30 ALA H 1.800 . 4.000 3.391 2.394 3.629 . 0 0 "[ . ]" 1
188 1 29 SER HA 1 32 VAL HB 1.800 . 4.000 3.392 2.397 4.086 0.086 7 0 "[ . ]" 1
189 1 29 SER HB3 1 30 ALA MB 1.800 . 5.500 4.169 3.826 4.494 . 0 0 "[ . ]" 1
190 1 30 ALA H 1 30 ALA MB 1.800 . 3.200 2.390 2.186 2.906 . 0 0 "[ . ]" 1
191 1 30 ALA HA 1 31 LEU H 1.800 . 3.200 3.533 3.501 3.548 0.348 7 0 "[ . ]" 1
192 1 30 ALA MB 1 31 LEU H 1.800 . 3.200 2.311 2.124 2.577 . 0 0 "[ . ]" 1
193 1 30 ALA MB 1 32 VAL H 1.800 . 5.500 4.461 4.211 4.771 . 0 0 "[ . ]" 1
194 1 31 LEU H 1 31 LEU QB 1.800 . 3.200 2.933 2.860 3.120 . 0 0 "[ . ]" 1
195 1 31 LEU H 1 31 LEU MD1 1.800 . 4.000 3.545 3.453 3.605 . 0 0 "[ . ]" 1
196 1 31 LEU H 1 31 LEU MD2 1.800 . 4.000 2.563 2.094 3.160 . 0 0 "[ . ]" 1
197 1 31 LEU H 1 31 LEU HG 1.800 . 3.200 1.866 1.803 1.947 . 0 0 "[ . ]" 1
198 1 31 LEU H 1 32 VAL H 1.800 . 3.200 2.612 2.243 3.176 . 0 0 "[ . ]" 1
199 1 31 LEU HA 1 32 VAL H 1.800 . 3.200 3.503 3.463 3.538 0.338 3 0 "[ . ]" 1
200 1 31 LEU QB 1 32 VAL H 1.800 . 3.200 2.432 2.207 2.730 . 0 0 "[ . ]" 1
201 1 31 LEU MD1 1 32 VAL H 1.800 . 5.500 3.637 2.316 4.360 . 0 0 "[ . ]" 1
202 1 31 LEU HG 1 32 VAL H 1.800 . 3.200 3.085 2.082 3.484 0.284 2 0 "[ . ]" 1
203 1 32 VAL H 1 32 VAL HB 1.800 . 3.200 2.987 2.609 3.486 0.286 7 0 "[ . ]" 1
204 1 32 VAL H 1 32 VAL MG1 1.800 . 5.500 3.887 3.786 4.041 . 0 0 "[ . ]" 1
205 1 32 VAL H 1 32 VAL MG2 1.800 . 3.200 2.270 2.064 2.542 . 0 0 "[ . ]" 1
206 1 32 VAL H 1 33 GLU H 1.800 . 3.200 3.385 3.086 3.622 0.422 4 0 "[ . ]" 1
207 1 32 VAL HA 1 32 VAL MG1 1.800 . 3.200 2.354 2.202 2.485 . 0 0 "[ . ]" 1
208 1 32 VAL HA 1 32 VAL MG2 1.800 . 3.200 2.366 2.257 2.486 . 0 0 "[ . ]" 1
209 1 32 VAL HA 1 33 GLU H 1.800 . 3.200 2.628 2.432 3.537 0.337 8 0 "[ . ]" 1
210 1 32 VAL HA 1 34 ARG H 1.800 . 5.500 3.522 3.137 4.189 . 0 0 "[ . ]" 1
211 1 33 GLU H 1 33 GLU QG 1.800 . 4.000 2.173 1.861 2.474 . 0 0 "[ . ]" 1
212 1 33 GLU HA 1 34 ARG H 1.800 . 3.200 3.289 2.771 3.528 0.328 6 0 "[ . ]" 1
213 1 33 GLU HA 1 36 HIS HB2 1.800 . 5.500 5.593 4.933 5.803 0.303 4 0 "[ . ]" 1
214 1 33 GLU HA 1 36 HIS HB3 1.800 . 5.500 5.081 4.300 5.673 0.173 9 0 "[ . ]" 1
215 1 33 GLU HB2 1 34 ARG H 1.800 . 4.000 4.130 3.795 4.400 0.400 2 0 "[ . ]" 1
216 1 33 GLU QG 1 34 ARG H 1.800 . 4.000 3.100 1.870 3.830 . 0 0 "[ . ]" 1
217 1 34 ARG H 1 34 ARG HB2 1.800 . 3.200 2.267 2.061 2.945 . 0 0 "[ . ]" 1
218 1 34 ARG H 1 34 ARG HB3 1.800 . 3.200 3.144 2.743 3.517 0.317 6 0 "[ . ]" 1
219 1 34 ARG HA 1 35 GLY H 1.800 . 4.000 2.581 2.230 3.621 . 0 0 "[ . ]" 1
220 1 34 ARG HB2 1 34 ARG QD 1.800 . 3.200 2.277 1.983 2.636 . 0 0 "[ . ]" 1
221 1 34 ARG HB2 1 35 GLY H 1.800 . 5.500 4.496 3.123 4.718 . 0 0 "[ . ]" 1
222 1 34 ARG HB2 1 37 LEU H 1.800 . 5.500 5.592 5.269 5.730 0.230 9 0 "[ . ]" 1
223 1 34 ARG HB3 1 34 ARG QD 1.800 . 3.200 2.813 2.533 3.079 . 0 0 "[ . ]" 1
224 1 34 ARG HB3 1 35 GLY H 1.800 . 5.500 4.075 2.316 4.423 . 0 0 "[ . ]" 1
225 1 34 ARG HB3 1 37 LEU H 1.800 . 5.500 4.845 4.069 5.537 0.037 3 0 "[ . ]" 1
226 1 34 ARG QD 1 34 ARG QG 1.800 . 3.200 2.047 2.034 2.071 . 0 0 "[ . ]" 1
227 1 35 GLY QA 1 36 HIS H 1.800 . 5.500 2.802 2.531 2.967 . 0 0 "[ . ]" 1
228 1 35 GLY QA 1 36 HIS HA 1.800 . 5.500 4.471 4.106 4.655 . 0 0 "[ . ]" 1
229 1 35 GLY QA 1 36 HIS HD2 1.800 . 5.500 3.694 2.467 5.090 . 0 0 "[ . ]" 1
230 1 36 HIS HA 1 37 LEU H 1.800 . 4.000 2.966 2.235 3.619 . 0 0 "[ . ]" 1
231 1 36 HIS HA 1 37 LEU MD2 1.800 . 5.500 3.650 3.000 4.471 . 0 0 "[ . ]" 1
232 1 36 HIS QB 1 40 TRP HD1 1.800 . 5.500 2.394 1.840 3.287 . 0 0 "[ . ]" 1
233 1 36 HIS HB3 1 36 HIS HD2 1.800 . 3.200 3.276 2.898 3.653 0.453 4 0 "[ . ]" 1
234 1 36 HIS HB3 1 37 LEU H 1.800 . 5.500 4.131 2.280 4.792 . 0 0 "[ . ]" 1
235 1 36 HIS HB3 1 40 TRP QB 1.800 . 5.500 4.828 4.400 4.985 . 0 0 "[ . ]" 1
236 1 36 HIS HD2 1 37 LEU MD2 1.800 . 5.500 4.609 4.526 4.679 . 0 0 "[ . ]" 1
237 1 37 LEU H 1 37 LEU QB 1.800 . 4.000 2.563 2.131 3.486 . 0 0 "[ . ]" 1
238 1 37 LEU H 1 37 LEU HG 1.800 . 5.500 4.012 3.544 4.587 . 0 0 "[ . ]" 1
239 1 37 LEU HA 1 38 ALA H 1.800 . 4.000 2.486 2.169 2.966 . 0 0 "[ . ]" 1
240 1 37 LEU MD2 1 38 ALA H 1.800 . 5.500 4.357 4.241 4.456 . 0 0 "[ . ]" 1
241 1 38 ALA H 1 38 ALA MB 1.800 . 3.200 2.755 2.477 2.888 . 0 0 "[ . ]" 1
242 1 38 ALA HA 1 39 PRO HD2 1.800 . 3.200 3.075 2.765 3.246 0.046 1 0 "[ . ]" 1
243 1 38 ALA MB 1 39 PRO HA 1.800 . 5.500 4.292 4.205 4.335 . 0 0 "[ . ]" 1
244 1 38 ALA MB 1 39 PRO HD2 1.800 . 4.000 1.755 1.695 1.813 0.105 4 0 "[ . ]" 1
245 1 38 ALA MB 1 39 PRO HD3 1.800 . 4.000 2.915 2.741 3.037 . 0 0 "[ . ]" 1
246 1 38 ALA MB 1 40 TRP H 1.800 . 5.500 2.795 2.522 4.152 . 0 0 "[ . ]" 1
247 1 38 ALA MB 1 40 TRP HD1 1.800 . 5.500 3.752 3.381 4.205 . 0 0 "[ . ]" 1
248 1 38 ALA MB 1 40 TRP HE1 1.800 . 5.500 2.535 2.125 3.117 . 0 0 "[ . ]" 1
249 1 38 ALA MB 1 40 TRP HZ2 1.800 . 5.500 2.648 2.127 3.930 . 0 0 "[ . ]" 1
250 1 39 PRO HA 1 39 PRO HD2 1.800 . 5.500 4.076 4.045 4.098 . 0 0 "[ . ]" 1
251 1 39 PRO HA 1 39 PRO HD3 1.800 . 5.500 3.361 3.197 3.570 . 0 0 "[ . ]" 1
252 1 39 PRO HA 1 40 TRP H 1.800 . 3.200 3.492 3.452 3.516 0.316 6 0 "[ . ]" 1
253 1 39 PRO HB2 1 40 TRP H 1.800 . 5.500 3.145 1.969 3.474 . 0 0 "[ . ]" 1
254 1 39 PRO HB2 1 41 ASP H 1.800 . 5.500 5.297 5.059 5.497 . 0 0 "[ . ]" 1
255 1 39 PRO HB3 1 39 PRO HD2 1.800 . 4.000 3.856 3.812 3.900 . 0 0 "[ . ]" 1
256 1 39 PRO HB3 1 39 PRO HD3 1.800 . 4.000 2.868 2.707 3.063 . 0 0 "[ . ]" 1
257 1 39 PRO HB3 1 40 TRP H 1.800 . 4.000 4.117 3.511 4.298 0.298 9 0 "[ . ]" 1
258 1 39 PRO HB3 1 40 TRP HA 1.800 . 5.500 5.560 5.516 5.625 0.125 7 0 "[ . ]" 1
259 1 39 PRO HB3 1 40 TRP HE3 1.800 . 5.500 5.551 5.044 5.680 0.180 9 0 "[ . ]" 1
260 1 39 PRO HD2 1 40 TRP H 1.800 . 5.500 3.318 2.850 4.175 . 0 0 "[ . ]" 1
261 1 39 PRO HD3 1 40 TRP HZ3 1.800 . 5.500 5.515 5.335 5.634 0.134 7 0 "[ . ]" 1
262 1 39 PRO HD3 1 42 VAL HB 1.800 . 5.500 5.677 5.492 5.874 0.374 3 0 "[ . ]" 1
263 1 39 PRO QG 1 40 TRP H 1.800 . 5.500 2.574 2.346 2.786 . 0 0 "[ . ]" 1
264 1 39 PRO QG 1 40 TRP HA 1.800 . 5.500 4.428 4.277 4.559 . 0 0 "[ . ]" 1
265 1 39 PRO QG 1 40 TRP HZ3 1.800 . 5.500 3.059 2.638 3.299 . 0 0 "[ . ]" 1
266 1 40 TRP H 1 41 ASP H 1.800 . 4.000 2.972 2.664 4.094 0.094 5 0 "[ . ]" 1
267 1 40 TRP HA 1 40 TRP HD1 1.800 . 5.500 4.756 4.589 4.994 . 0 0 "[ . ]" 1
268 1 40 TRP HA 1 40 TRP HE3 1.800 . 5.500 3.380 2.265 3.886 . 0 0 "[ . ]" 1
269 1 40 TRP HA 1 41 ASP H 1.800 . 5.500 3.558 3.505 3.605 . 0 0 "[ . ]" 1
270 1 40 TRP HA 1 43 ASP HB3 1.800 . 4.000 3.781 2.990 4.161 0.161 3 0 "[ . ]" 1
271 1 40 TRP QB 1 40 TRP HD1 1.800 . 3.200 2.555 2.512 2.617 . 0 0 "[ . ]" 1
272 1 40 TRP QB 1 40 TRP HE3 1.800 . 3.200 2.622 2.511 2.962 . 0 0 "[ . ]" 1
273 1 40 TRP QB 1 40 TRP HZ3 1.800 . 5.500 4.845 4.771 5.083 . 0 0 "[ . ]" 1
274 1 40 TRP QB 1 41 ASP H 1.800 . 4.000 3.148 2.171 3.612 . 0 0 "[ . ]" 1
275 1 40 TRP HD1 1 41 ASP HB2 1.800 . 5.500 4.729 3.579 5.635 0.135 7 0 "[ . ]" 1
276 1 40 TRP HD1 1 41 ASP HB3 1.800 . 5.500 5.111 3.433 5.612 0.112 9 0 "[ . ]" 1
277 1 41 ASP HA 1 42 VAL H 1.800 . 5.500 3.605 3.556 3.637 . 0 0 "[ . ]" 1
278 1 41 ASP HB2 1 42 VAL H 1.800 . 5.500 3.008 2.390 3.888 . 0 0 "[ . ]" 1
279 1 41 ASP HB3 1 42 VAL H 1.800 . 5.500 3.452 2.341 4.023 . 0 0 "[ . ]" 1
280 1 41 ASP HB3 1 44 ASP HB2 1.800 . 5.500 5.349 4.696 5.569 0.069 8 0 "[ . ]" 1
281 1 42 VAL H 1 42 VAL HB 1.800 . 4.000 2.539 2.058 3.634 . 0 0 "[ . ]" 1
282 1 42 VAL H 1 42 VAL QG 1.800 . 3.200 2.230 1.898 2.752 . 0 0 "[ . ]" 1
283 1 42 VAL HA 1 43 ASP H 1.800 . 4.000 3.594 3.569 3.618 . 0 0 "[ . ]" 1
284 1 42 VAL HB 1 42 VAL QG 1.800 . 3.200 1.902 1.869 1.918 . 0 0 "[ . ]" 1
285 1 43 ASP HA 1 44 ASP H 1.800 . 5.500 3.458 2.427 3.624 . 0 0 "[ . ]" 1
286 1 44 ASP H 1 45 LEU H 1.800 . 5.500 3.144 2.699 3.862 . 0 0 "[ . ]" 1
287 1 44 ASP HB2 1 45 LEU H 1.800 . 5.500 3.601 2.484 4.536 . 0 0 "[ . ]" 1
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