NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
502830 |
2l2l   |
17138 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2l2l
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 608
_Distance_constraint_stats_list.Viol_count 352
_Distance_constraint_stats_list.Viol_total 546.445
_Distance_constraint_stats_list.Viol_max 0.388
_Distance_constraint_stats_list.Viol_rms 0.0182
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0022
_Distance_constraint_stats_list.Viol_average_violations_only 0.0776
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 3 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 4 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 5 GLU 0.101 0.038 15 0 "[ . 1 . 2]"
1 6 ARG 0.053 0.052 15 0 "[ . 1 . 2]"
1 7 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 ARG 1.319 0.366 9 0 "[ . 1 . 2]"
1 9 MET 0.909 0.112 16 0 "[ . 1 . 2]"
1 10 ILE 0.990 0.098 15 0 "[ . 1 . 2]"
1 11 LYS 1.338 0.366 9 0 "[ . 1 . 2]"
1 12 GLN 0.455 0.228 7 0 "[ . 1 . 2]"
1 13 LEU 0.972 0.228 7 0 "[ . 1 . 2]"
1 14 LYS 0.016 0.009 17 0 "[ . 1 . 2]"
1 15 GLU 0.125 0.038 13 0 "[ . 1 . 2]"
1 16 GLU 0.393 0.141 15 0 "[ . 1 . 2]"
1 17 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 ARG 0.141 0.141 17 0 "[ . 1 . 2]"
1 19 LEU 0.772 0.188 17 0 "[ . 1 . 2]"
1 20 GLU 0.461 0.176 18 0 "[ . 1 . 2]"
1 21 GLU 0.363 0.131 7 0 "[ . 1 . 2]"
1 22 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 LYS 0.589 0.188 17 0 "[ . 1 . 2]"
1 24 LEU 1.614 0.194 14 0 "[ . 1 . 2]"
1 25 VAL 0.836 0.194 14 0 "[ . 1 . 2]"
1 26 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 LEU 1.060 0.123 18 0 "[ . 1 . 2]"
1 28 LYS 0.946 0.267 18 0 "[ . 1 . 2]"
1 29 LYS 1.294 0.267 18 0 "[ . 1 . 2]"
1 30 LEU 2.276 0.195 12 0 "[ . 1 . 2]"
1 31 ARG 1.911 0.235 11 0 "[ . 1 . 2]"
1 32 GLN 0.187 0.067 17 0 "[ . 1 . 2]"
1 33 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 34 GLN 0.641 0.098 6 0 "[ . 1 . 2]"
1 35 ILE 0.290 0.067 17 0 "[ . 1 . 2]"
1 36 GLN 1.622 0.388 18 0 "[ . 1 . 2]"
1 37 LYS 0.493 0.261 15 0 "[ . 1 . 2]"
1 38 GLU 0.829 0.255 4 0 "[ . 1 . 2]"
1 39 ALA 0.309 0.096 1 0 "[ . 1 . 2]"
1 40 THR 0.004 0.004 16 0 "[ . 1 . 2]"
1 41 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 42 GLN 0.107 0.062 13 0 "[ . 1 . 2]"
1 43 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
2 3 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
2 4 ALA 0.048 0.048 2 0 "[ . 1 . 2]"
2 5 PHE 0.123 0.048 2 0 "[ . 1 . 2]"
2 6 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
2 7 VAL 3.190 0.195 12 0 "[ . 1 . 2]"
2 8 THR 0.000 0.000 . 0 "[ . 1 . 2]"
2 9 ASP 0.990 0.331 11 0 "[ . 1 . 2]"
2 10 GLU 0.148 0.148 1 0 "[ . 1 . 2]"
2 11 ASP 1.008 0.331 11 0 "[ . 1 . 2]"
2 12 ILE 2.968 0.235 11 0 "[ . 1 . 2]"
2 13 ARG 0.698 0.161 18 0 "[ . 1 . 2]"
2 14 LYS 0.816 0.161 18 0 "[ . 1 . 2]"
2 15 GLN 0.009 0.009 13 0 "[ . 1 . 2]"
2 16 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
2 17 GLU 0.607 0.295 19 0 "[ . 1 . 2]"
2 18 ARG 0.579 0.295 19 0 "[ . 1 . 2]"
2 19 VAL 0.640 0.131 7 0 "[ . 1 . 2]"
2 20 GLN 0.130 0.046 15 0 "[ . 1 . 2]"
2 21 GLN 0.000 0.000 2 0 "[ . 1 . 2]"
2 22 VAL 0.493 0.141 15 0 "[ . 1 . 2]"
2 23 ARG 0.593 0.203 16 0 "[ . 1 . 2]"
2 24 LYS 0.000 0.000 2 0 "[ . 1 . 2]"
2 25 LYS 0.418 0.062 20 0 "[ . 1 . 2]"
2 26 LEU 1.085 0.112 16 0 "[ . 1 . 2]"
2 27 GLU 0.518 0.203 16 0 "[ . 1 . 2]"
2 28 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
2 29 ALA 1.850 0.372 9 0 "[ . 1 . 2]"
2 30 LEU 0.628 0.100 9 0 "[ . 1 . 2]"
2 31 MET 0.000 0.000 . 0 "[ . 1 . 2]"
2 32 ALA 4.676 0.372 9 0 "[ . 1 . 2]"
2 33 ASP 0.117 0.042 13 0 "[ . 1 . 2]"
2 34 ILE 3.078 0.228 5 0 "[ . 1 . 2]"
2 35 LEU 0.950 0.182 19 0 "[ . 1 . 2]"
2 36 SER 1.297 0.197 1 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 3 PRO HA 1 3 PRO QD 4.000 . 6.000 3.358 3.306 3.400 . 0 0 "[ . 1 . 2]" 1
2 1 3 PRO HA 1 4 GLU H 4.000 . 5.000 3.506 3.463 3.549 . 0 0 "[ . 1 . 2]" 1
3 1 3 PRO HA 1 6 ARG H 4.000 . 6.000 3.411 3.299 3.533 . 0 0 "[ . 1 . 2]" 1
4 1 3 PRO HA 1 6 ARG QB 4.000 . 6.000 2.865 2.596 3.444 . 0 0 "[ . 1 . 2]" 1
5 1 3 PRO QD 1 4 GLU H 3.500 . 4.000 2.727 2.658 2.811 . 0 0 "[ . 1 . 2]" 1
6 1 4 GLU H 1 4 GLU QB 2.500 . 2.900 2.352 2.257 2.448 . 0 0 "[ . 1 . 2]" 1
7 1 4 GLU H 1 4 GLU QG 4.000 . 5.000 2.763 2.072 3.953 . 0 0 "[ . 1 . 2]" 1
8 1 4 GLU H 1 5 GLU H 3.500 . 4.000 2.640 2.588 2.692 . 0 0 "[ . 1 . 2]" 1
9 1 4 GLU QB 1 5 GLU H 4.000 . 5.000 2.700 2.530 3.434 . 0 0 "[ . 1 . 2]" 1
10 1 5 GLU H 1 5 GLU QB 2.500 . 2.900 2.318 2.098 2.424 . 0 0 "[ . 1 . 2]" 1
11 1 5 GLU H 1 5 GLU QG 3.500 . 4.000 3.082 2.121 4.038 0.038 15 0 "[ . 1 . 2]" 1
12 1 5 GLU H 1 6 ARG H 3.500 . 4.000 2.643 2.588 2.724 . 0 0 "[ . 1 . 2]" 1
13 1 5 GLU HA 1 8 ARG QD 4.000 . 6.000 3.596 2.438 4.995 . 0 0 "[ . 1 . 2]" 1
14 1 5 GLU QB 1 6 ARG H 3.500 . 4.000 2.579 2.485 2.764 . 0 0 "[ . 1 . 2]" 1
15 1 5 GLU QG 1 6 ARG H 4.000 . 5.000 3.957 3.573 4.526 . 0 0 "[ . 1 . 2]" 1
16 1 6 ARG H 1 6 ARG QB 2.500 . 2.900 2.300 2.253 2.363 . 0 0 "[ . 1 . 2]" 1
17 1 6 ARG H 1 6 ARG QD 4.000 . 6.000 4.007 1.748 4.678 0.052 15 0 "[ . 1 . 2]" 1
18 1 6 ARG H 1 6 ARG QG 4.000 . 6.000 3.215 2.266 4.023 . 0 0 "[ . 1 . 2]" 1
19 1 6 ARG HA 1 9 MET H 4.000 . 5.000 3.623 3.467 3.724 . 0 0 "[ . 1 . 2]" 1
20 1 6 ARG HA 1 9 MET QB 4.000 . 5.000 3.056 2.727 3.605 . 0 0 "[ . 1 . 2]" 1
21 1 6 ARG HA 1 9 MET ME 4.000 . 5.500 4.198 2.231 5.475 . 0 0 "[ . 1 . 2]" 1
22 1 6 ARG HA 1 10 ILE QG 4.000 . 5.000 4.584 4.188 5.001 0.001 20 0 "[ . 1 . 2]" 1
23 1 6 ARG QB 1 7 GLU H 3.500 . 4.000 2.561 2.462 2.682 . 0 0 "[ . 1 . 2]" 1
24 1 6 ARG QG 1 7 GLU H 4.000 . 6.000 3.904 3.556 4.516 . 0 0 "[ . 1 . 2]" 1
25 1 7 GLU H 1 7 GLU QB 2.500 . 2.900 2.325 2.255 2.435 . 0 0 "[ . 1 . 2]" 1
26 1 7 GLU H 1 7 GLU QG 4.000 . 5.000 2.993 2.094 4.033 . 0 0 "[ . 1 . 2]" 1
27 1 7 GLU H 1 8 ARG H 3.500 . 4.000 2.596 2.512 2.763 . 0 0 "[ . 1 . 2]" 1
28 1 7 GLU HA 1 10 ILE H 4.000 . 5.000 3.454 3.357 3.746 . 0 0 "[ . 1 . 2]" 1
29 1 7 GLU HA 1 10 ILE HB 4.000 . 5.000 3.002 2.713 3.370 . 0 0 "[ . 1 . 2]" 1
30 1 7 GLU HA 1 10 ILE MG 4.000 . 5.500 4.301 4.090 4.631 . 0 0 "[ . 1 . 2]" 1
31 1 7 GLU QB 1 8 ARG H 3.500 . 4.000 2.625 2.523 2.852 . 0 0 "[ . 1 . 2]" 1
32 1 7 GLU QG 1 8 ARG H 4.000 . 5.000 3.949 3.593 4.487 . 0 0 "[ . 1 . 2]" 1
33 1 8 ARG H 1 8 ARG QB 2.500 . 2.900 2.282 2.249 2.382 . 0 0 "[ . 1 . 2]" 1
34 1 8 ARG H 1 8 ARG QG 4.000 . 5.000 3.464 2.216 4.029 . 0 0 "[ . 1 . 2]" 1
35 1 8 ARG H 1 9 MET H 3.500 . 4.000 2.712 2.651 2.787 . 0 0 "[ . 1 . 2]" 1
36 1 8 ARG H 1 10 ILE H 4.000 . 6.000 4.210 4.126 4.389 . 0 0 "[ . 1 . 2]" 1
37 1 8 ARG HA 1 9 MET H 4.000 . 5.000 3.547 3.533 3.567 . 0 0 "[ . 1 . 2]" 1
38 1 8 ARG QB 1 9 MET H 3.500 . 4.000 2.540 2.410 2.641 . 0 0 "[ . 1 . 2]" 1
39 1 8 ARG QG 1 11 LYS QG 4.000 . 5.000 4.982 4.536 5.366 0.366 9 0 "[ . 1 . 2]" 1
40 1 9 MET H 1 9 MET QB 2.500 . 2.900 2.281 2.113 2.448 . 0 0 "[ . 1 . 2]" 1
41 1 9 MET H 1 9 MET QG 4.000 . 6.000 3.149 2.137 3.955 . 0 0 "[ . 1 . 2]" 1
42 1 9 MET H 1 10 ILE H 3.500 . 4.000 2.725 2.640 3.008 . 0 0 "[ . 1 . 2]" 1
43 1 9 MET H 1 10 ILE MD 4.000 . 6.500 5.167 4.729 5.809 . 0 0 "[ . 1 . 2]" 1
44 1 9 MET HA 1 9 MET ME 4.000 . 5.500 3.919 3.159 4.469 . 0 0 "[ . 1 . 2]" 1
45 1 9 MET HA 1 12 GLN H 4.000 . 5.000 3.493 3.356 3.611 . 0 0 "[ . 1 . 2]" 1
46 1 9 MET HA 1 12 GLN QB 4.000 . 5.000 2.666 2.531 2.973 . 0 0 "[ . 1 . 2]" 1
47 1 9 MET QB 1 10 ILE H 4.000 . 5.000 2.567 2.379 2.638 . 0 0 "[ . 1 . 2]" 1
48 1 9 MET QB 2 29 ALA MB 4.000 . 5.500 5.359 4.959 5.592 0.092 4 0 "[ . 1 . 2]" 1
49 1 9 MET ME 1 10 ILE H 4.000 . 6.500 4.314 3.589 5.045 . 0 0 "[ . 1 . 2]" 1
50 1 9 MET ME 1 13 LEU QD 4.000 . 6.000 2.850 2.011 3.684 . 0 0 "[ . 1 . 2]" 1
51 1 9 MET ME 2 26 LEU QD 4.000 . 6.000 5.412 4.385 6.112 0.112 16 0 "[ . 1 . 2]" 1
52 1 9 MET ME 2 29 ALA MB 4.000 . 6.000 4.838 3.225 6.097 0.097 14 0 "[ . 1 . 2]" 1
53 1 9 MET QG 1 13 LEU QD 4.000 . 6.500 3.422 1.985 5.455 . 0 0 "[ . 1 . 2]" 1
54 1 10 ILE H 1 10 ILE HB 2.500 . 2.900 2.457 2.394 2.608 . 0 0 "[ . 1 . 2]" 1
55 1 10 ILE H 1 10 ILE QG 4.000 . 5.000 2.158 1.924 2.298 . 0 0 "[ . 1 . 2]" 1
56 1 10 ILE H 1 10 ILE MG 3.500 . 4.500 3.736 3.729 3.746 . 0 0 "[ . 1 . 2]" 1
57 1 10 ILE H 1 11 LYS H 3.500 . 4.000 2.686 2.636 2.713 . 0 0 "[ . 1 . 2]" 1
58 1 10 ILE HA 1 10 ILE MD 4.000 . 5.500 3.097 1.991 3.806 . 0 0 "[ . 1 . 2]" 1
59 1 10 ILE HA 1 10 ILE MG 3.500 . 4.300 2.345 2.223 2.395 . 0 0 "[ . 1 . 2]" 1
60 1 10 ILE HA 1 11 LYS H 4.000 . 6.000 3.549 3.539 3.558 . 0 0 "[ . 1 . 2]" 1
61 1 10 ILE HA 1 13 LEU H 4.000 . 6.000 3.585 3.470 3.785 . 0 0 "[ . 1 . 2]" 1
62 1 10 ILE HA 1 13 LEU QD 3.500 . 4.300 2.803 2.262 3.503 . 0 0 "[ . 1 . 2]" 1
63 1 10 ILE HA 2 26 LEU QD 4.000 . 5.500 3.193 2.431 4.557 . 0 0 "[ . 1 . 2]" 1
64 1 10 ILE HA 2 29 ALA MB 4.000 . 5.500 4.659 4.225 5.022 . 0 0 "[ . 1 . 2]" 1
65 1 10 ILE HB 1 10 ILE MD 3.500 . 4.300 2.638 2.205 3.193 . 0 0 "[ . 1 . 2]" 1
66 1 10 ILE HB 2 29 ALA MB 4.000 . 5.500 5.050 4.530 5.507 0.007 2 0 "[ . 1 . 2]" 1
67 1 10 ILE MD 2 26 LEU QD 2.500 . 3.700 3.323 2.006 3.798 0.098 15 0 "[ . 1 . 2]" 1
68 1 10 ILE MD 2 29 ALA HA 4.000 . 5.500 4.334 3.930 4.685 . 0 0 "[ . 1 . 2]" 1
69 1 10 ILE MD 2 29 ALA MB 3.500 . 4.800 2.218 1.934 2.789 . 0 0 "[ . 1 . 2]" 1
70 1 10 ILE MD 2 30 LEU HA 4.000 . 5.500 4.111 2.629 5.548 0.048 19 0 "[ . 1 . 2]" 1
71 1 10 ILE MD 2 30 LEU QD 3.500 . 4.800 3.037 2.182 4.256 . 0 0 "[ . 1 . 2]" 1
72 1 10 ILE MD 2 30 LEU HG 4.000 . 5.500 4.500 3.161 5.531 0.031 7 0 "[ . 1 . 2]" 1
73 1 10 ILE QG 2 29 ALA MB 4.000 . 5.500 2.844 2.278 3.597 . 0 0 "[ . 1 . 2]" 1
74 1 10 ILE QG 2 30 LEU QD 3.500 . 4.300 3.971 3.139 4.374 0.074 4 0 "[ . 1 . 2]" 1
75 1 10 ILE MG 1 11 LYS H 4.000 . 5.500 3.345 3.239 3.598 . 0 0 "[ . 1 . 2]" 1
76 1 10 ILE MG 1 14 LYS QD 4.000 . 5.500 3.587 2.398 4.254 . 0 0 "[ . 1 . 2]" 1
77 1 10 ILE MG 1 14 LYS QE 4.000 . 5.500 3.756 2.096 5.509 0.009 17 0 "[ . 1 . 2]" 1
78 1 10 ILE MG 2 26 LEU QD 2.500 . 3.700 2.140 1.981 3.215 . 0 0 "[ . 1 . 2]" 1
79 1 10 ILE MG 2 29 ALA MB 4.000 . 6.000 3.574 2.935 4.127 . 0 0 "[ . 1 . 2]" 1
80 1 10 ILE MG 2 30 LEU HA 4.000 . 5.500 4.581 3.611 5.535 0.035 5 0 "[ . 1 . 2]" 1
81 1 10 ILE MG 2 30 LEU QD 2.500 . 3.700 2.587 2.072 3.121 . 0 0 "[ . 1 . 2]" 1
82 1 11 LYS H 1 11 LYS QB 2.500 . 2.900 2.315 2.259 2.430 . 0 0 "[ . 1 . 2]" 1
83 1 11 LYS H 1 11 LYS QG 3.500 . 4.000 3.183 2.133 4.019 0.019 11 0 "[ . 1 . 2]" 1
84 1 12 GLN H 1 12 GLN QB 2.500 . 2.900 2.330 2.254 2.414 . 0 0 "[ . 1 . 2]" 1
85 1 12 GLN H 1 12 GLN QG 4.000 . 5.000 2.921 2.152 4.046 . 0 0 "[ . 1 . 2]" 1
86 1 12 GLN H 1 13 LEU H 3.500 . 4.000 2.662 2.609 2.724 . 0 0 "[ . 1 . 2]" 1
87 1 12 GLN H 1 14 LYS H 4.000 . 6.000 4.051 3.860 4.179 . 0 0 "[ . 1 . 2]" 1
88 1 12 GLN HA 1 13 LEU QD 4.000 . 5.500 5.145 4.260 5.728 0.228 7 0 "[ . 1 . 2]" 1
89 1 12 GLN HA 1 15 GLU QB 3.500 . 3.800 3.074 2.787 3.592 . 0 0 "[ . 1 . 2]" 1
90 1 12 GLN HA 1 15 GLU QG 4.000 . 6.000 4.001 2.746 5.418 . 0 0 "[ . 1 . 2]" 1
91 1 12 GLN QB 1 13 LEU QD 4.000 . 5.500 3.571 2.500 4.520 . 0 0 "[ . 1 . 2]" 1
92 1 13 LEU H 1 13 LEU QD 4.000 . 5.500 2.959 1.902 3.670 . 0 0 "[ . 1 . 2]" 1
93 1 13 LEU H 1 13 LEU HG 4.000 . 5.500 2.843 2.230 4.427 . 0 0 "[ . 1 . 2]" 1
94 1 13 LEU H 1 14 LYS H 4.000 . 5.000 2.616 2.519 2.648 . 0 0 "[ . 1 . 2]" 1
95 1 13 LEU HA 1 13 LEU QD 4.000 . 5.500 2.097 1.898 2.470 . 0 0 "[ . 1 . 2]" 1
96 1 13 LEU HA 1 13 LEU HG 4.000 . 6.000 2.845 2.196 3.569 . 0 0 "[ . 1 . 2]" 1
97 1 13 LEU HA 1 16 GLU H 4.000 . 5.000 3.540 3.412 3.633 . 0 0 "[ . 1 . 2]" 1
98 1 13 LEU HA 1 16 GLU QB 4.000 . 5.000 3.026 2.652 3.318 . 0 0 "[ . 1 . 2]" 1
99 1 13 LEU HA 2 26 LEU QD 4.000 . 5.500 4.681 4.070 5.239 . 0 0 "[ . 1 . 2]" 1
100 1 13 LEU QB 2 22 VAL QG 3.500 . 4.300 3.266 2.725 4.399 0.099 7 0 "[ . 1 . 2]" 1
101 1 13 LEU QB 2 26 LEU QD 4.000 . 5.500 2.624 1.946 3.599 . 0 0 "[ . 1 . 2]" 1
102 1 13 LEU QD 2 22 VAL HA 4.000 . 5.500 4.366 3.439 5.245 . 0 0 "[ . 1 . 2]" 1
103 1 13 LEU QD 2 25 LYS QB 4.000 . 5.500 3.817 3.204 4.599 . 0 0 "[ . 1 . 2]" 1
104 1 13 LEU QD 2 25 LYS QD 4.000 . 5.500 4.173 3.068 5.375 . 0 0 "[ . 1 . 2]" 1
105 1 13 LEU QD 2 25 LYS QE 4.000 . 5.500 5.238 3.650 5.562 0.062 20 0 "[ . 1 . 2]" 1
106 1 13 LEU QD 2 26 LEU HA 4.000 . 5.500 4.030 2.789 5.312 . 0 0 "[ . 1 . 2]" 1
107 1 13 LEU QD 2 26 LEU QD 3.500 . 4.800 2.916 1.973 4.247 . 0 0 "[ . 1 . 2]" 1
108 1 13 LEU QD 2 29 ALA MB 4.000 . 6.000 4.511 4.018 5.746 . 0 0 "[ . 1 . 2]" 1
109 1 14 LYS H 1 14 LYS QB 3.500 . 4.000 2.307 2.219 2.393 . 0 0 "[ . 1 . 2]" 1
110 1 14 LYS H 1 14 LYS QD 4.000 . 5.000 4.035 3.646 4.406 . 0 0 "[ . 1 . 2]" 1
111 1 14 LYS H 1 14 LYS QG 4.000 . 6.000 2.972 2.191 4.038 . 0 0 "[ . 1 . 2]" 1
112 1 14 LYS H 1 15 GLU H 4.000 . 5.000 2.624 2.575 2.693 . 0 0 "[ . 1 . 2]" 1
113 1 14 LYS H 2 26 LEU QD 4.000 . 5.500 3.610 3.000 3.938 . 0 0 "[ . 1 . 2]" 1
114 1 14 LYS HA 1 14 LYS QD 4.000 . 5.000 3.685 2.126 4.113 . 0 0 "[ . 1 . 2]" 1
115 1 14 LYS HA 1 15 GLU H 4.000 . 5.000 3.518 3.487 3.557 . 0 0 "[ . 1 . 2]" 1
116 1 14 LYS HA 2 26 LEU QD 4.000 . 5.500 2.987 2.192 3.555 . 0 0 "[ . 1 . 2]" 1
117 1 14 LYS QB 2 26 LEU QD 3.500 . 4.300 3.471 2.572 4.189 . 0 0 "[ . 1 . 2]" 1
118 1 14 LYS QD 2 26 LEU QD 3.500 . 4.300 3.335 2.134 4.121 . 0 0 "[ . 1 . 2]" 1
119 1 14 LYS QE 2 26 LEU QD 4.000 . 5.500 3.252 2.036 4.406 . 0 0 "[ . 1 . 2]" 1
120 1 14 LYS QG 1 15 GLU H 4.000 . 6.000 4.015 3.575 4.270 . 0 0 "[ . 1 . 2]" 1
121 1 14 LYS QG 2 26 LEU QD 4.000 . 5.500 2.575 1.974 4.216 . 0 0 "[ . 1 . 2]" 1
122 1 14 LYS QG 2 26 LEU MD2 4.000 . 5.500 3.155 2.142 5.080 . 0 0 "[ . 1 . 2]" 1
123 1 15 GLU H 1 15 GLU QG 3.500 . 4.000 3.070 2.188 4.038 0.038 13 0 "[ . 1 . 2]" 1
124 1 15 GLU H 1 16 GLU H 2.500 . 2.900 2.721 2.579 2.771 . 0 0 "[ . 1 . 2]" 1
125 1 15 GLU HA 1 16 GLU H 4.000 . 6.000 3.566 3.543 3.573 . 0 0 "[ . 1 . 2]" 1
126 1 15 GLU HA 1 18 ARG H 4.000 . 5.000 3.676 3.461 3.888 . 0 0 "[ . 1 . 2]" 1
127 1 15 GLU HA 1 18 ARG QB 4.000 . 6.000 3.362 2.994 4.004 . 0 0 "[ . 1 . 2]" 1
128 1 15 GLU QG 1 19 LEU QD 4.000 . 5.500 4.061 2.327 5.526 0.026 2 0 "[ . 1 . 2]" 1
129 1 16 GLU H 1 16 GLU QB 2.500 . 2.900 2.320 2.253 2.407 . 0 0 "[ . 1 . 2]" 1
130 1 16 GLU H 1 16 GLU QG 4.000 . 5.000 3.034 2.161 4.045 . 0 0 "[ . 1 . 2]" 1
131 1 16 GLU H 1 17 LEU H 4.000 . 5.000 2.599 2.473 2.736 . 0 0 "[ . 1 . 2]" 1
132 1 16 GLU QB 1 17 LEU H 3.500 . 4.000 2.790 2.646 2.963 . 0 0 "[ . 1 . 2]" 1
133 1 16 GLU QB 2 22 VAL QG 4.000 . 5.500 4.121 3.759 4.700 . 0 0 "[ . 1 . 2]" 1
134 1 16 GLU QG 2 22 VAL QG 4.000 . 5.500 4.959 3.945 5.641 0.141 15 0 "[ . 1 . 2]" 1
135 1 17 LEU H 1 17 LEU QD 3.500 . 4.500 3.493 1.884 3.691 . 0 0 "[ . 1 . 2]" 1
136 1 17 LEU H 1 18 ARG H 3.500 . 4.000 2.703 2.546 2.733 . 0 0 "[ . 1 . 2]" 1
137 1 17 LEU H 2 22 VAL QG 4.000 . 5.500 4.409 3.877 4.901 . 0 0 "[ . 1 . 2]" 1
138 1 17 LEU HA 1 17 LEU QD 4.000 . 5.500 2.120 1.896 3.036 . 0 0 "[ . 1 . 2]" 1
139 1 17 LEU HA 1 18 ARG H 4.000 . 5.000 3.548 3.508 3.560 . 0 0 "[ . 1 . 2]" 1
140 1 17 LEU HA 2 22 VAL QG 3.500 . 4.300 3.605 3.037 4.107 . 0 0 "[ . 1 . 2]" 1
141 1 17 LEU QB 1 18 ARG H 4.000 . 6.000 2.534 2.435 2.789 . 0 0 "[ . 1 . 2]" 1
142 1 17 LEU QB 2 19 VAL MG1 4.000 . 5.500 4.830 4.133 5.441 . 0 0 "[ . 1 . 2]" 1
143 1 17 LEU QB 2 22 VAL QG 4.000 . 5.500 3.164 2.304 4.322 . 0 0 "[ . 1 . 2]" 1
144 1 17 LEU QD 1 18 ARG H 4.000 . 5.500 3.725 2.757 4.188 . 0 0 "[ . 1 . 2]" 1
145 1 17 LEU QD 2 19 VAL HA 4.000 . 5.500 3.754 2.791 4.576 . 0 0 "[ . 1 . 2]" 1
146 1 17 LEU QD 2 19 VAL MG1 2.500 . 3.700 2.399 1.920 3.110 . 0 0 "[ . 1 . 2]" 1
147 1 17 LEU QD 2 22 VAL HB 4.000 . 5.500 2.813 2.141 3.465 . 0 0 "[ . 1 . 2]" 1
148 1 17 LEU QD 2 22 VAL QG 3.500 . 4.800 2.115 1.815 2.583 . 0 0 "[ . 1 . 2]" 1
149 1 17 LEU QD 2 23 ARG HA 4.000 . 5.500 3.078 2.542 3.634 . 0 0 "[ . 1 . 2]" 1
150 1 17 LEU QD 2 23 ARG QB 3.500 . 4.300 3.073 2.383 4.069 . 0 0 "[ . 1 . 2]" 1
151 1 17 LEU QD 2 23 ARG QD 4.000 . 5.500 3.786 2.702 4.720 . 0 0 "[ . 1 . 2]" 1
152 1 17 LEU QD 2 23 ARG QG 4.000 . 5.500 3.246 2.120 4.165 . 0 0 "[ . 1 . 2]" 1
153 1 18 ARG H 1 19 LEU H 4.000 . 5.000 2.676 2.632 2.708 . 0 0 "[ . 1 . 2]" 1
154 1 18 ARG H 1 19 LEU HG 4.000 . 5.000 4.462 3.803 4.659 . 0 0 "[ . 1 . 2]" 1
155 1 18 ARG HA 1 21 GLU H 4.000 . 5.000 3.613 3.471 4.029 . 0 0 "[ . 1 . 2]" 1
156 1 18 ARG QB 1 19 LEU HG 4.000 . 5.000 3.273 3.047 4.236 . 0 0 "[ . 1 . 2]" 1
157 1 18 ARG QD 1 19 LEU HG 4.000 . 5.500 4.787 3.689 5.641 0.141 17 0 "[ . 1 . 2]" 1
158 1 19 LEU H 1 19 LEU QB 3.500 . 4.000 2.383 2.329 2.655 . 0 0 "[ . 1 . 2]" 1
159 1 19 LEU H 1 19 LEU QD 4.000 . 5.500 3.104 2.740 3.177 . 0 0 "[ . 1 . 2]" 1
160 1 19 LEU H 1 19 LEU HG 3.500 . 4.000 2.258 1.784 2.389 0.016 17 0 "[ . 1 . 2]" 1
161 1 19 LEU H 1 20 GLU H 4.000 . 5.000 2.597 2.405 2.641 . 0 0 "[ . 1 . 2]" 1
162 1 19 LEU HA 1 19 LEU QD 3.500 . 4.300 2.136 2.052 3.354 . 0 0 "[ . 1 . 2]" 1
163 1 19 LEU QB 1 20 GLU H 4.000 . 5.000 2.615 2.529 3.404 . 0 0 "[ . 1 . 2]" 1
164 1 19 LEU QD 1 23 LYS QG 4.000 . 5.500 4.457 3.892 5.688 0.188 17 0 "[ . 1 . 2]" 1
165 1 20 GLU H 1 20 GLU QG 4.000 . 5.000 3.598 2.306 4.057 . 0 0 "[ . 1 . 2]" 1
166 1 20 GLU H 1 21 GLU H 4.000 . 5.000 2.647 2.594 2.682 . 0 0 "[ . 1 . 2]" 1
167 1 20 GLU HA 1 21 GLU H 4.000 . 6.000 3.536 3.512 3.550 . 0 0 "[ . 1 . 2]" 1
168 1 20 GLU HA 1 23 LYS H 4.000 . 6.000 3.945 3.811 4.056 . 0 0 "[ . 1 . 2]" 1
169 1 20 GLU HA 1 23 LYS QB 4.000 . 6.000 3.385 3.242 3.584 . 0 0 "[ . 1 . 2]" 1
170 1 20 GLU QB 2 19 VAL MG2 4.000 . 5.500 2.785 1.977 3.837 . 0 0 "[ . 1 . 2]" 1
171 1 20 GLU QG 1 21 GLU H 4.000 . 6.000 3.844 3.567 4.197 . 0 0 "[ . 1 . 2]" 1
172 1 20 GLU QG 1 23 LYS QB 4.000 . 6.000 4.571 4.111 4.960 . 0 0 "[ . 1 . 2]" 1
173 1 20 GLU QG 1 24 LEU H 4.000 . 6.000 5.007 4.454 6.176 0.176 18 0 "[ . 1 . 2]" 1
174 1 20 GLU QG 2 19 VAL MG1 4.000 . 5.500 3.798 3.184 4.401 . 0 0 "[ . 1 . 2]" 1
175 1 20 GLU QG 2 19 VAL MG2 4.000 . 5.500 2.357 1.789 3.592 0.011 10 0 "[ . 1 . 2]" 1
176 1 20 GLU QG 2 22 VAL QG 4.000 . 5.500 4.180 3.510 4.901 . 0 0 "[ . 1 . 2]" 1
177 1 21 GLU H 1 21 GLU QB 3.500 . 4.000 2.291 2.196 2.354 . 0 0 "[ . 1 . 2]" 1
178 1 21 GLU H 1 21 GLU QG 4.000 . 5.000 3.330 2.299 3.964 . 0 0 "[ . 1 . 2]" 1
179 1 21 GLU H 1 22 ALA H 4.000 . 5.000 2.545 2.490 2.607 . 0 0 "[ . 1 . 2]" 1
180 1 21 GLU H 1 22 ALA MB 4.000 . 5.500 4.171 4.142 4.231 . 0 0 "[ . 1 . 2]" 1
181 1 21 GLU H 1 23 LYS H 4.000 . 6.000 4.330 4.249 4.440 . 0 0 "[ . 1 . 2]" 1
182 1 21 GLU H 2 19 VAL MG1 4.000 . 5.500 4.375 3.954 4.743 . 0 0 "[ . 1 . 2]" 1
183 1 21 GLU H 2 19 VAL MG2 4.000 . 5.500 4.303 3.760 4.873 . 0 0 "[ . 1 . 2]" 1
184 1 21 GLU HA 1 24 LEU H 4.000 . 5.000 3.325 3.242 3.579 . 0 0 "[ . 1 . 2]" 1
185 1 21 GLU HA 1 24 LEU QB 4.000 . 6.000 2.399 2.270 2.492 . 0 0 "[ . 1 . 2]" 1
186 1 21 GLU HA 1 24 LEU QD 3.500 . 4.300 3.076 2.192 3.921 . 0 0 "[ . 1 . 2]" 1
187 1 21 GLU HA 2 19 VAL HB 4.000 . 5.500 5.423 5.036 5.631 0.131 7 0 "[ . 1 . 2]" 1
188 1 21 GLU HA 2 19 VAL MG1 3.500 . 4.300 3.511 3.173 3.846 . 0 0 "[ . 1 . 2]" 1
189 1 21 GLU HA 2 19 VAL MG2 3.500 . 4.300 3.423 2.821 4.090 . 0 0 "[ . 1 . 2]" 1
190 1 21 GLU QB 1 22 ALA H 4.000 . 5.000 2.518 2.433 2.610 . 0 0 "[ . 1 . 2]" 1
191 1 21 GLU QB 1 22 ALA MB 4.000 . 5.500 3.929 3.863 4.027 . 0 0 "[ . 1 . 2]" 1
192 1 21 GLU QB 2 19 VAL MG1 4.000 . 5.500 3.598 2.831 4.457 . 0 0 "[ . 1 . 2]" 1
193 1 21 GLU QG 1 22 ALA H 4.000 . 6.000 3.860 3.568 4.419 . 0 0 "[ . 1 . 2]" 1
194 1 21 GLU QG 1 24 LEU QD 4.000 . 6.500 3.567 3.019 4.725 . 0 0 "[ . 1 . 2]" 1
195 1 21 GLU QG 2 19 VAL MG1 4.000 . 5.500 3.100 2.181 4.192 . 0 0 "[ . 1 . 2]" 1
196 1 21 GLU QG 2 19 VAL MG2 4.000 . 5.500 3.991 2.788 5.155 . 0 0 "[ . 1 . 2]" 1
197 1 22 ALA H 1 22 ALA MB 2.500 . 3.400 2.217 2.148 2.243 . 0 0 "[ . 1 . 2]" 1
198 1 22 ALA H 1 23 LYS H 4.000 . 5.000 2.921 2.879 2.952 . 0 0 "[ . 1 . 2]" 1
199 1 22 ALA HA 1 25 VAL H 4.000 . 6.000 3.654 3.521 3.846 . 0 0 "[ . 1 . 2]" 1
200 1 22 ALA HA 1 25 VAL HB 4.000 . 5.000 3.031 2.793 3.390 . 0 0 "[ . 1 . 2]" 1
201 1 22 ALA HA 1 25 VAL MG1 4.000 . 6.500 4.359 4.110 4.663 . 0 0 "[ . 1 . 2]" 1
202 1 22 ALA HA 1 25 VAL MG2 4.000 . 5.500 3.412 3.231 3.632 . 0 0 "[ . 1 . 2]" 1
203 1 22 ALA MB 1 23 LYS H 3.500 . 4.500 2.301 2.143 2.424 . 0 0 "[ . 1 . 2]" 1
204 1 22 ALA MB 1 25 VAL HB 4.000 . 6.500 4.384 4.170 4.615 . 0 0 "[ . 1 . 2]" 1
205 1 22 ALA MB 1 25 VAL MG2 4.000 . 7.000 4.592 4.446 4.761 . 0 0 "[ . 1 . 2]" 1
206 1 22 ALA MB 1 26 LEU QD 4.000 . 6.000 3.975 2.639 5.023 . 0 0 "[ . 1 . 2]" 1
207 1 23 LYS H 1 23 LYS QB 2.500 . 2.900 2.362 2.169 2.478 . 0 0 "[ . 1 . 2]" 1
208 1 23 LYS H 1 24 LEU H 3.500 . 4.000 2.703 2.644 2.844 . 0 0 "[ . 1 . 2]" 1
209 1 23 LYS QB 1 24 LEU H 4.000 . 5.000 2.580 2.384 2.670 . 0 0 "[ . 1 . 2]" 1
210 1 24 LEU H 1 24 LEU QD 4.000 . 5.500 3.153 1.798 3.749 0.002 13 0 "[ . 1 . 2]" 1
211 1 24 LEU H 1 25 VAL H 3.500 . 4.000 2.781 2.733 2.897 . 0 0 "[ . 1 . 2]" 1
212 1 24 LEU H 1 27 LEU QB 4.000 . 5.000 4.881 4.588 5.092 0.092 16 0 "[ . 1 . 2]" 1
213 1 24 LEU HA 1 24 LEU QD 4.000 . 5.500 2.184 1.888 3.026 . 0 0 "[ . 1 . 2]" 1
214 1 24 LEU HA 1 24 LEU HG 4.000 . 5.000 2.954 2.146 3.574 . 0 0 "[ . 1 . 2]" 1
215 1 24 LEU QB 1 25 VAL H 4.000 . 6.000 2.427 2.334 2.601 . 0 0 "[ . 1 . 2]" 1
216 1 24 LEU QB 1 27 LEU QB 4.000 . 6.000 4.459 4.272 4.631 . 0 0 "[ . 1 . 2]" 1
217 1 24 LEU QB 2 19 VAL MG2 4.000 . 5.500 3.405 2.744 4.332 . 0 0 "[ . 1 . 2]" 1
218 1 24 LEU QD 1 25 VAL HB 4.000 . 5.500 5.256 4.111 5.694 0.194 14 0 "[ . 1 . 2]" 1
219 1 24 LEU QD 1 27 LEU QB 4.000 . 6.500 3.167 2.651 4.216 . 0 0 "[ . 1 . 2]" 1
220 1 24 LEU QD 1 28 LYS H 4.000 . 6.500 4.254 3.104 5.654 . 0 0 "[ . 1 . 2]" 1
221 1 24 LEU QD 2 12 ILE HA 4.000 . 5.500 4.014 3.061 5.360 . 0 0 "[ . 1 . 2]" 1
222 1 24 LEU QD 2 12 ILE MG 4.000 . 6.000 3.110 2.188 4.380 . 0 0 "[ . 1 . 2]" 1
223 1 24 LEU QD 2 15 GLN QB 4.000 . 5.500 2.458 1.791 3.859 0.009 13 0 "[ . 1 . 2]" 1
224 1 24 LEU QD 2 15 GLN QG 4.000 . 5.500 2.967 1.901 4.803 . 0 0 "[ . 1 . 2]" 1
225 1 24 LEU QD 2 16 GLU HA 4.000 . 5.500 2.415 2.022 3.339 . 0 0 "[ . 1 . 2]" 1
226 1 24 LEU QD 2 16 GLU QG 4.000 . 5.500 2.973 2.021 3.893 . 0 0 "[ . 1 . 2]" 1
227 1 24 LEU QD 2 19 VAL MG2 3.500 . 4.800 2.449 1.770 3.360 0.030 17 0 "[ . 1 . 2]" 1
228 1 24 LEU HG 2 19 VAL MG1 4.000 . 6.000 5.376 3.767 6.078 0.078 19 0 "[ . 1 . 2]" 1
229 1 24 LEU HG 2 19 VAL MG2 4.000 . 5.500 4.245 2.517 5.344 . 0 0 "[ . 1 . 2]" 1
230 1 25 VAL H 1 25 VAL HB 3.500 . 4.000 2.415 2.350 2.477 . 0 0 "[ . 1 . 2]" 1
231 1 25 VAL H 1 25 VAL MG1 4.000 . 5.500 3.732 3.715 3.743 . 0 0 "[ . 1 . 2]" 1
232 1 25 VAL H 1 25 VAL MG2 2.500 . 3.400 2.210 2.074 2.341 . 0 0 "[ . 1 . 2]" 1
233 1 25 VAL H 1 26 LEU H 3.500 . 4.000 2.719 2.670 2.774 . 0 0 "[ . 1 . 2]" 1
234 1 25 VAL H 1 27 LEU QB 4.000 . 6.000 4.922 4.808 5.059 . 0 0 "[ . 1 . 2]" 1
235 1 25 VAL HA 1 25 VAL MG2 3.500 . 4.300 2.297 2.227 2.366 . 0 0 "[ . 1 . 2]" 1
236 1 25 VAL HA 1 26 LEU H 4.000 . 6.000 3.548 3.532 3.559 . 0 0 "[ . 1 . 2]" 1
237 1 25 VAL HA 1 28 LYS H 4.000 . 6.000 3.501 3.418 3.605 . 0 0 "[ . 1 . 2]" 1
238 1 25 VAL HA 1 28 LYS QD 4.000 . 6.000 3.795 2.562 4.929 . 0 0 "[ . 1 . 2]" 1
239 1 25 VAL HB 1 26 LEU QD 4.000 . 5.500 4.340 2.538 5.326 . 0 0 "[ . 1 . 2]" 1
240 1 25 VAL MG1 1 26 LEU H 3.500 . 4.500 3.257 3.158 3.425 . 0 0 "[ . 1 . 2]" 1
241 1 25 VAL MG1 1 26 LEU HA 4.000 . 5.500 3.301 3.221 3.434 . 0 0 "[ . 1 . 2]" 1
242 1 25 VAL MG1 1 29 LYS H 4.000 . 6.500 4.123 3.859 4.337 . 0 0 "[ . 1 . 2]" 1
243 1 25 VAL MG1 1 29 LYS QB 4.000 . 5.500 4.366 3.409 4.786 . 0 0 "[ . 1 . 2]" 1
244 1 25 VAL MG1 1 29 LYS QD 3.500 . 4.300 3.803 2.599 4.435 0.135 14 0 "[ . 1 . 2]" 1
245 1 25 VAL MG1 1 29 LYS QE 4.000 . 5.500 2.592 2.074 3.110 . 0 0 "[ . 1 . 2]" 1
246 1 25 VAL MG2 1 26 LEU H 4.000 . 5.500 3.919 3.847 3.983 . 0 0 "[ . 1 . 2]" 1
247 1 26 LEU H 1 26 LEU QB 3.500 . 4.000 2.272 2.157 2.390 . 0 0 "[ . 1 . 2]" 1
248 1 26 LEU H 1 27 LEU H 4.000 . 5.000 2.692 2.655 2.727 . 0 0 "[ . 1 . 2]" 1
249 1 26 LEU H 1 28 LYS H 4.000 . 6.000 4.143 4.104 4.209 . 0 0 "[ . 1 . 2]" 1
250 1 26 LEU HA 1 26 LEU HG 3.500 . 3.800 2.926 2.201 3.572 . 0 0 "[ . 1 . 2]" 1
251 1 26 LEU HA 1 27 LEU H 4.000 . 5.000 3.548 3.541 3.555 . 0 0 "[ . 1 . 2]" 1
252 1 26 LEU HA 1 29 LYS QB 3.500 . 3.800 2.969 2.840 3.173 . 0 0 "[ . 1 . 2]" 1
253 1 27 LEU H 1 27 LEU QD 3.500 . 4.500 2.949 1.830 3.663 . 0 0 "[ . 1 . 2]" 1
254 1 27 LEU H 1 28 LYS H 4.000 . 5.000 2.707 2.667 2.793 . 0 0 "[ . 1 . 2]" 1
255 1 27 LEU HA 1 27 LEU QD 4.000 . 5.500 2.065 1.880 2.505 . 0 0 "[ . 1 . 2]" 1
256 1 27 LEU HA 1 27 LEU HG 4.000 . 6.000 2.996 2.192 3.560 . 0 0 "[ . 1 . 2]" 1
257 1 27 LEU HA 1 28 LYS H 4.000 . 6.000 3.537 3.526 3.547 . 0 0 "[ . 1 . 2]" 1
258 1 27 LEU QB 1 28 LYS H 4.000 . 5.000 2.632 2.541 2.751 . 0 0 "[ . 1 . 2]" 1
259 1 27 LEU QB 2 7 VAL QG 4.000 . 5.500 3.583 2.791 4.310 . 0 0 "[ . 1 . 2]" 1
260 1 27 LEU QB 2 12 ILE MD 4.000 . 5.500 3.285 2.207 4.408 . 0 0 "[ . 1 . 2]" 1
261 1 27 LEU QB 2 12 ILE MG 4.000 . 5.500 4.006 3.355 5.086 . 0 0 "[ . 1 . 2]" 1
262 1 27 LEU QD 1 28 LYS H 4.000 . 6.500 3.927 3.516 4.160 . 0 0 "[ . 1 . 2]" 1
263 1 27 LEU QD 2 5 PHE QE 4.000 . 5.500 3.674 2.403 5.429 . 0 0 "[ . 1 . 2]" 1
264 1 27 LEU QD 2 7 VAL QG 3.500 . 4.800 2.056 1.732 2.634 0.068 12 0 "[ . 1 . 2]" 1
265 1 27 LEU QD 2 7 VAL MG2 2.500 . 3.700 2.288 1.866 3.099 . 0 0 "[ . 1 . 2]" 1
266 1 27 LEU QD 2 12 ILE HA 4.000 . 5.500 3.724 2.803 4.974 . 0 0 "[ . 1 . 2]" 1
267 1 27 LEU QD 2 12 ILE MD 3.500 . 4.800 2.814 1.860 3.611 . 0 0 "[ . 1 . 2]" 1
268 1 27 LEU QD 2 12 ILE MG 3.500 . 4.800 3.793 2.926 4.878 0.078 15 0 "[ . 1 . 2]" 1
269 1 27 LEU QD 2 15 GLN QB 4.000 . 5.500 3.839 3.129 4.988 . 0 0 "[ . 1 . 2]" 1
270 1 27 LEU QD 2 15 GLN QG 4.000 . 5.500 3.565 2.467 4.495 . 0 0 "[ . 1 . 2]" 1
271 1 27 LEU HG 2 12 ILE MD 3.500 . 4.800 3.921 2.309 4.923 0.123 18 0 "[ . 1 . 2]" 1
272 1 28 LYS H 1 28 LYS QB 3.500 . 4.000 2.272 2.253 2.368 . 0 0 "[ . 1 . 2]" 1
273 1 28 LYS H 1 28 LYS QD 4.000 . 5.000 4.319 3.801 4.592 . 0 0 "[ . 1 . 2]" 1
274 1 28 LYS HA 2 12 ILE MD 3.500 . 4.300 3.778 2.389 4.339 0.039 14 0 "[ . 1 . 2]" 1
275 1 28 LYS QB 1 28 LYS QD 2.500 . 2.700 2.143 2.130 2.213 . 0 0 "[ . 1 . 2]" 1
276 1 28 LYS QD 1 29 LYS QE 4.000 . 5.000 4.753 3.561 5.267 0.267 18 0 "[ . 1 . 2]" 1
277 1 28 LYS QG 2 12 ILE MG 4.000 . 5.500 4.373 3.524 5.507 0.007 14 0 "[ . 1 . 2]" 1
278 1 29 LYS H 1 29 LYS QB 2.500 . 2.900 2.399 2.180 2.560 . 0 0 "[ . 1 . 2]" 1
279 1 29 LYS H 1 29 LYS QD 4.000 . 5.000 3.587 1.882 3.869 . 0 0 "[ . 1 . 2]" 1
280 1 29 LYS H 1 29 LYS QG 4.000 . 6.000 2.357 1.830 4.031 . 0 0 "[ . 1 . 2]" 1
281 1 29 LYS H 1 30 LEU H 3.500 . 4.000 2.653 2.611 2.696 . 0 0 "[ . 1 . 2]" 1
282 1 29 LYS H 1 32 GLN H 4.000 . 6.000 4.867 4.711 4.964 . 0 0 "[ . 1 . 2]" 1
283 1 29 LYS HA 1 29 LYS QD 4.000 . 5.000 2.975 2.027 3.953 . 0 0 "[ . 1 . 2]" 1
284 1 29 LYS HA 1 29 LYS QE 4.000 . 6.000 4.196 3.731 4.830 . 0 0 "[ . 1 . 2]" 1
285 1 29 LYS HA 1 30 LEU H 3.500 . 4.000 3.533 3.521 3.553 . 0 0 "[ . 1 . 2]" 1
286 1 29 LYS QB 1 29 LYS QE 4.000 . 5.000 3.446 2.119 3.788 . 0 0 "[ . 1 . 2]" 1
287 1 29 LYS QB 1 30 LEU H 3.500 . 4.000 2.616 2.475 2.683 . 0 0 "[ . 1 . 2]" 1
288 1 30 LEU H 1 30 LEU QB 3.500 . 4.000 2.293 2.149 2.401 . 0 0 "[ . 1 . 2]" 1
289 1 30 LEU H 1 30 LEU QD 3.500 . 4.500 2.995 1.853 3.669 . 0 0 "[ . 1 . 2]" 1
290 1 30 LEU H 1 30 LEU HG 4.000 . 5.000 3.141 2.190 4.587 . 0 0 "[ . 1 . 2]" 1
291 1 30 LEU H 1 31 ARG H 4.000 . 5.000 2.674 2.634 2.764 . 0 0 "[ . 1 . 2]" 1
292 1 30 LEU HA 1 30 LEU QD 3.500 . 4.300 2.100 1.901 2.525 . 0 0 "[ . 1 . 2]" 1
293 1 30 LEU QB 2 7 VAL H 4.000 . 6.000 5.997 4.956 6.195 0.195 12 0 "[ . 1 . 2]" 1
294 1 30 LEU QB 2 7 VAL QG 4.000 . 5.500 3.289 2.634 3.617 . 0 0 "[ . 1 . 2]" 1
295 1 30 LEU QD 1 31 ARG H 4.000 . 5.500 3.953 3.361 4.145 . 0 0 "[ . 1 . 2]" 1
296 1 30 LEU QD 1 33 SER H 4.000 . 6.500 4.548 3.838 5.145 . 0 0 "[ . 1 . 2]" 1
297 1 30 LEU QD 2 5 PHE HZ 4.000 . 5.500 4.302 2.001 5.516 0.016 20 0 "[ . 1 . 2]" 1
298 1 30 LEU QD 2 7 VAL QG 2.500 . 3.700 3.207 2.063 3.737 0.037 8 0 "[ . 1 . 2]" 1
299 1 30 LEU QD 2 12 ILE MD 4.000 . 5.500 5.416 4.887 5.691 0.191 11 0 "[ . 1 . 2]" 1
300 1 31 ARG H 1 31 ARG QG 3.500 . 4.000 3.391 2.329 4.014 0.014 8 0 "[ . 1 . 2]" 1
301 1 31 ARG H 1 32 GLN H 4.000 . 5.000 2.661 2.608 2.698 . 0 0 "[ . 1 . 2]" 1
302 1 31 ARG H 1 33 SER H 4.000 . 6.000 3.885 3.754 4.230 . 0 0 "[ . 1 . 2]" 1
303 1 31 ARG H 2 7 VAL MG1 4.000 . 5.500 4.853 3.781 5.445 . 0 0 "[ . 1 . 2]" 1
304 1 31 ARG H 2 7 VAL QG 4.000 . 5.500 4.310 3.281 4.798 . 0 0 "[ . 1 . 2]" 1
305 1 31 ARG H 2 7 VAL MG2 4.000 . 5.500 4.840 3.599 5.419 . 0 0 "[ . 1 . 2]" 1
306 1 31 ARG HA 1 34 GLN H 4.000 . 5.000 3.672 3.391 3.970 . 0 0 "[ . 1 . 2]" 1
307 1 31 ARG HA 2 7 VAL HB 4.000 . 5.000 4.288 2.696 5.076 0.076 19 0 "[ . 1 . 2]" 1
308 1 31 ARG HA 2 12 ILE MD 4.000 . 5.500 5.085 4.187 5.735 0.235 11 0 "[ . 1 . 2]" 1
309 1 31 ARG QB 1 32 GLN H 4.000 . 5.000 2.552 2.474 2.668 . 0 0 "[ . 1 . 2]" 1
310 1 31 ARG QB 2 12 ILE MD 3.500 . 4.300 3.324 2.206 4.525 0.225 9 0 "[ . 1 . 2]" 1
311 1 31 ARG QD 2 7 VAL H 4.000 . 6.500 6.105 4.163 6.616 0.116 2 0 "[ . 1 . 2]" 1
312 1 31 ARG QD 2 7 VAL QG 4.000 . 5.500 3.151 2.100 4.168 . 0 0 "[ . 1 . 2]" 1
313 1 31 ARG QD 2 12 ILE MD 4.000 . 5.500 2.690 1.933 5.380 . 0 0 "[ . 1 . 2]" 1
314 1 31 ARG QD 2 12 ILE QG 4.000 . 6.000 3.561 2.114 5.718 . 0 0 "[ . 1 . 2]" 1
315 1 31 ARG QG 1 32 GLN H 4.000 . 5.000 3.865 3.569 4.457 . 0 0 "[ . 1 . 2]" 1
316 1 31 ARG QG 2 12 ILE MD 3.500 . 4.300 3.410 2.129 4.428 0.128 4 0 "[ . 1 . 2]" 1
317 1 32 GLN H 1 32 GLN QB 3.500 . 4.000 2.317 2.254 2.418 . 0 0 "[ . 1 . 2]" 1
318 1 32 GLN H 1 32 GLN QG 4.000 . 5.000 3.142 2.130 4.049 . 0 0 "[ . 1 . 2]" 1
319 1 32 GLN H 1 35 ILE MD 4.000 . 6.500 5.084 3.867 6.567 0.067 17 0 "[ . 1 . 2]" 1
320 1 32 GLN HA 1 32 GLN QG 3.500 . 3.800 2.459 2.299 2.843 . 0 0 "[ . 1 . 2]" 1
321 1 32 GLN HA 1 35 ILE MD 4.000 . 5.500 3.002 2.018 4.633 . 0 0 "[ . 1 . 2]" 1
322 1 32 GLN QB 1 33 SER H 3.500 . 4.000 2.949 2.575 3.089 . 0 0 "[ . 1 . 2]" 1
323 1 32 GLN QG 1 33 SER H 4.000 . 6.000 4.057 3.644 4.278 . 0 0 "[ . 1 . 2]" 1
324 1 33 SER H 1 33 SER QB 2.500 . 2.900 2.371 2.218 2.565 . 0 0 "[ . 1 . 2]" 1
325 1 33 SER HA 1 34 GLN H 4.000 . 6.000 3.523 3.415 3.575 . 0 0 "[ . 1 . 2]" 1
326 1 34 GLN H 1 34 GLN QG 4.000 . 5.000 2.588 1.992 4.078 . 0 0 "[ . 1 . 2]" 1
327 1 34 GLN QE 2 6 ILE HA 4.000 . 6.000 4.170 2.736 5.931 . 0 0 "[ . 1 . 2]" 1
328 1 34 GLN QE 2 6 ILE MG 4.000 . 6.500 3.728 2.199 5.868 . 0 0 "[ . 1 . 2]" 1
329 1 34 GLN QE 2 7 VAL H 4.000 . 6.000 4.132 2.641 6.079 0.079 17 0 "[ . 1 . 2]" 1
330 1 34 GLN QE 2 7 VAL QG 4.000 . 6.500 4.563 3.372 6.086 . 0 0 "[ . 1 . 2]" 1
331 1 34 GLN QG 2 7 VAL QG 4.000 . 5.500 5.214 4.076 5.598 0.098 6 0 "[ . 1 . 2]" 1
332 1 35 ILE H 1 35 ILE QG 3.500 . 4.000 2.357 2.059 3.492 . 0 0 "[ . 1 . 2]" 1
333 1 35 ILE H 1 35 ILE MG 4.000 . 5.500 3.738 3.692 3.792 . 0 0 "[ . 1 . 2]" 1
334 1 35 ILE H 1 36 GLN H 3.500 . 4.000 2.545 2.169 2.876 . 0 0 "[ . 1 . 2]" 1
335 1 35 ILE HA 1 36 GLN H 3.500 . 4.000 3.547 3.461 3.570 . 0 0 "[ . 1 . 2]" 1
336 1 35 ILE HB 1 36 GLN H 4.000 . 5.000 2.577 2.337 3.022 . 0 0 "[ . 1 . 2]" 1
337 1 35 ILE QG 1 36 GLN H 4.000 . 6.000 4.086 3.792 4.491 . 0 0 "[ . 1 . 2]" 1
338 1 35 ILE MG 1 36 GLN H 4.000 . 5.500 3.293 3.108 3.675 . 0 0 "[ . 1 . 2]" 1
339 1 35 ILE MG 1 39 ALA MB 4.000 . 7.000 6.370 4.374 7.059 0.059 18 0 "[ . 1 . 2]" 1
340 1 36 GLN H 1 36 GLN QB 2.500 . 2.900 2.785 2.257 3.288 0.388 18 0 "[ . 1 . 2]" 1
341 1 36 GLN H 1 36 GLN QG 4.000 . 5.000 3.399 1.838 4.439 . 0 0 "[ . 1 . 2]" 1
342 1 37 LYS H 1 37 LYS QB 2.500 . 2.900 2.528 2.255 3.161 0.261 15 0 "[ . 1 . 2]" 1
343 1 37 LYS H 1 37 LYS QD 4.000 . 6.000 4.007 3.269 5.215 . 0 0 "[ . 1 . 2]" 1
344 1 37 LYS H 1 37 LYS QG 4.000 . 5.000 2.626 1.857 3.957 . 0 0 "[ . 1 . 2]" 1
345 1 37 LYS H 1 38 GLU H 4.000 . 5.000 3.810 2.651 4.642 . 0 0 "[ . 1 . 2]" 1
346 1 38 GLU H 1 38 GLU QB 2.500 . 2.900 2.580 2.157 3.155 0.255 4 0 "[ . 1 . 2]" 1
347 1 38 GLU H 1 38 GLU QG 4.000 . 5.000 3.151 1.867 4.182 . 0 0 "[ . 1 . 2]" 1
348 1 38 GLU HA 1 39 ALA H 3.500 . 4.000 2.971 2.146 3.575 . 0 0 "[ . 1 . 2]" 1
349 1 38 GLU QB 1 39 ALA H 4.000 . 6.000 3.168 1.704 4.020 0.096 1 0 "[ . 1 . 2]" 1
350 1 39 ALA H 1 39 ALA MB 2.500 . 3.400 2.506 2.138 2.942 . 0 0 "[ . 1 . 2]" 1
351 1 39 ALA H 1 40 THR H 4.000 . 5.000 3.400 1.796 4.637 0.004 16 0 "[ . 1 . 2]" 1
352 1 39 ALA MB 1 40 THR H 4.000 . 5.500 2.972 1.860 3.589 . 0 0 "[ . 1 . 2]" 1
353 1 39 ALA MB 1 42 GLN H 4.000 . 6.500 5.474 2.575 6.562 0.062 13 0 "[ . 1 . 2]" 1
354 1 40 THR H 1 40 THR MG 4.000 . 6.500 3.816 3.704 4.032 . 0 0 "[ . 1 . 2]" 1
355 1 40 THR H 1 41 ALA H 4.000 . 5.000 3.626 2.089 4.583 . 0 0 "[ . 1 . 2]" 1
356 1 40 THR HA 1 41 ALA H 3.500 . 4.000 2.753 2.155 3.556 . 0 0 "[ . 1 . 2]" 1
357 1 42 GLN HA 1 43 LYS H 4.000 . 5.000 2.771 2.154 3.504 . 0 0 "[ . 1 . 2]" 1
358 2 3 LYS HA 2 4 ALA H 4.000 . 6.000 2.798 2.146 3.542 . 0 0 "[ . 1 . 2]" 1
359 2 4 ALA HA 2 5 PHE H 4.000 . 5.000 2.693 2.192 3.509 . 0 0 "[ . 1 . 2]" 1
360 2 4 ALA MB 2 5 PHE H 4.000 . 6.000 2.740 1.752 3.726 0.048 2 0 "[ . 1 . 2]" 1
361 2 5 PHE HA 2 6 ILE H 2.500 . 3.500 2.354 2.146 2.999 . 0 0 "[ . 1 . 2]" 1
362 2 5 PHE QB 2 6 ILE H 4.000 . 5.000 3.520 1.998 4.052 . 0 0 "[ . 1 . 2]" 1
363 2 5 PHE QD 2 6 ILE H 4.000 . 6.000 3.928 2.628 4.722 . 0 0 "[ . 1 . 2]" 1
364 2 5 PHE QD 2 6 ILE HA 4.000 . 6.000 4.251 3.479 4.840 . 0 0 "[ . 1 . 2]" 1
365 2 5 PHE HZ 2 7 VAL QG 4.000 . 5.500 3.761 2.261 5.526 0.026 19 0 "[ . 1 . 2]" 1
366 2 6 ILE H 2 6 ILE HB 2.500 . 2.900 2.567 2.437 2.660 . 0 0 "[ . 1 . 2]" 1
367 2 6 ILE H 2 6 ILE MD 3.500 . 4.500 3.525 2.221 3.959 . 0 0 "[ . 1 . 2]" 1
368 2 6 ILE H 2 6 ILE QG 3.500 . 4.000 2.558 1.941 3.361 . 0 0 "[ . 1 . 2]" 1
369 2 6 ILE H 2 7 VAL H 4.000 . 5.000 4.453 4.298 4.630 . 0 0 "[ . 1 . 2]" 1
370 2 6 ILE HA 2 6 ILE MD 3.500 . 4.300 3.350 2.022 3.827 . 0 0 "[ . 1 . 2]" 1
371 2 6 ILE HA 2 6 ILE MG 3.500 . 4.300 2.321 2.256 2.370 . 0 0 "[ . 1 . 2]" 1
372 2 6 ILE HA 2 7 VAL H 2.500 . 2.900 2.193 2.149 2.297 . 0 0 "[ . 1 . 2]" 1
373 2 6 ILE HA 2 7 VAL HB 4.000 . 6.000 4.571 4.389 4.745 . 0 0 "[ . 1 . 2]" 1
374 2 6 ILE HA 2 7 VAL QG 4.000 . 5.500 3.548 3.368 3.711 . 0 0 "[ . 1 . 2]" 1
375 2 6 ILE QG 2 7 VAL H 4.000 . 6.000 4.172 3.885 4.672 . 0 0 "[ . 1 . 2]" 1
376 2 6 ILE MG 2 7 VAL H 3.500 . 4.500 2.427 1.972 2.729 . 0 0 "[ . 1 . 2]" 1
377 2 6 ILE MG 2 7 VAL HB 4.000 . 6.500 4.150 3.556 4.504 . 0 0 "[ . 1 . 2]" 1
378 2 6 ILE MG 2 8 THR H 4.000 . 6.500 4.427 4.267 4.698 . 0 0 "[ . 1 . 2]" 1
379 2 6 ILE MG 2 8 THR MG 4.000 . 6.000 3.107 2.564 3.891 . 0 0 "[ . 1 . 2]" 1
380 2 7 VAL H 2 7 VAL HB 3.500 . 4.000 2.471 2.388 2.614 . 0 0 "[ . 1 . 2]" 1
381 2 7 VAL H 2 7 VAL QG 3.500 . 4.500 2.426 2.002 2.831 . 0 0 "[ . 1 . 2]" 1
382 2 7 VAL H 2 8 THR H 4.000 . 6.000 4.505 4.473 4.545 . 0 0 "[ . 1 . 2]" 1
383 2 7 VAL HA 2 8 THR H 2.500 . 2.900 2.172 2.148 2.211 . 0 0 "[ . 1 . 2]" 1
384 2 7 VAL HA 2 8 THR MG 4.000 . 5.500 3.468 3.232 3.858 . 0 0 "[ . 1 . 2]" 1
385 2 7 VAL HB 2 8 THR H 4.000 . 6.000 4.171 4.009 4.302 . 0 0 "[ . 1 . 2]" 1
386 2 7 VAL HB 2 11 ASP QB 4.000 . 6.000 5.706 5.081 6.046 0.046 19 0 "[ . 1 . 2]" 1
387 2 7 VAL QG 2 8 THR H 3.500 . 4.500 2.458 2.176 2.691 . 0 0 "[ . 1 . 2]" 1
388 2 7 VAL QG 2 8 THR HA 4.000 . 6.500 3.740 3.431 3.926 . 0 0 "[ . 1 . 2]" 1
389 2 7 VAL QG 2 11 ASP QB 4.000 . 6.500 3.022 2.285 3.455 . 0 0 "[ . 1 . 2]" 1
390 2 8 THR H 2 8 THR MG 3.500 . 4.500 2.393 2.104 2.788 . 0 0 "[ . 1 . 2]" 1
391 2 8 THR H 2 11 ASP H 4.000 . 5.000 4.125 3.890 4.318 . 0 0 "[ . 1 . 2]" 1
392 2 8 THR H 2 11 ASP QB 4.000 . 5.000 2.617 2.480 2.956 . 0 0 "[ . 1 . 2]" 1
393 2 8 THR H 2 12 ILE H 4.000 . 6.000 4.626 4.372 5.067 . 0 0 "[ . 1 . 2]" 1
394 2 8 THR HA 2 8 THR MG 2.500 . 3.200 2.390 2.237 2.510 . 0 0 "[ . 1 . 2]" 1
395 2 8 THR MG 2 9 ASP H 4.000 . 5.500 3.878 3.570 4.070 . 0 0 "[ . 1 . 2]" 1
396 2 8 THR MG 2 10 GLU H 4.000 . 6.500 4.529 4.234 5.054 . 0 0 "[ . 1 . 2]" 1
397 2 8 THR MG 2 11 ASP H 4.000 . 6.500 4.141 3.853 4.675 . 0 0 "[ . 1 . 2]" 1
398 2 9 ASP H 2 9 ASP QB 3.500 . 4.000 2.322 2.209 2.587 . 0 0 "[ . 1 . 2]" 1
399 2 9 ASP H 2 10 GLU H 4.000 . 5.000 2.668 2.437 2.945 . 0 0 "[ . 1 . 2]" 1
400 2 9 ASP H 2 12 ILE HB 4.000 . 6.000 5.546 5.311 6.033 0.033 5 0 "[ . 1 . 2]" 1
401 2 9 ASP HA 2 12 ILE H 4.000 . 5.000 3.598 2.965 3.833 . 0 0 "[ . 1 . 2]" 1
402 2 9 ASP HA 2 12 ILE HB 4.000 . 5.000 3.055 2.606 3.380 . 0 0 "[ . 1 . 2]" 1
403 2 9 ASP HA 2 12 ILE MD 4.000 . 5.500 3.566 2.279 4.742 . 0 0 "[ . 1 . 2]" 1
404 2 9 ASP QB 2 10 GLU H 4.000 . 5.000 2.707 2.137 3.403 . 0 0 "[ . 1 . 2]" 1
405 2 9 ASP QB 2 11 ASP H 4.000 . 5.000 4.871 4.247 5.331 0.331 11 0 "[ . 1 . 2]" 1
406 2 9 ASP QB 2 12 ILE H 4.000 . 5.000 4.912 4.434 5.082 0.082 15 0 "[ . 1 . 2]" 1
407 2 10 GLU H 2 10 GLU QG 4.000 . 6.000 2.870 1.652 4.029 0.148 1 0 "[ . 1 . 2]" 1
408 2 10 GLU H 2 11 ASP H 4.000 . 5.000 2.744 2.299 2.980 . 0 0 "[ . 1 . 2]" 1
409 2 10 GLU H 2 12 ILE H 4.000 . 6.000 4.092 3.939 4.501 . 0 0 "[ . 1 . 2]" 1
410 2 10 GLU HA 2 11 ASP H 4.000 . 6.000 3.540 3.394 3.574 . 0 0 "[ . 1 . 2]" 1
411 2 10 GLU HA 2 12 ILE H 4.000 . 6.000 4.156 3.982 4.609 . 0 0 "[ . 1 . 2]" 1
412 2 10 GLU QB 2 11 ASP H 4.000 . 5.000 2.523 2.226 3.128 . 0 0 "[ . 1 . 2]" 1
413 2 10 GLU QB 2 11 ASP HA 4.000 . 5.000 3.964 3.800 4.263 . 0 0 "[ . 1 . 2]" 1
414 2 11 ASP H 2 12 ILE H 4.000 . 5.000 2.738 2.303 2.895 . 0 0 "[ . 1 . 2]" 1
415 2 11 ASP H 2 12 ILE HB 4.000 . 5.000 4.893 4.405 5.066 0.066 11 0 "[ . 1 . 2]" 1
416 2 11 ASP H 2 12 ILE MD 4.000 . 6.500 5.282 4.721 5.895 . 0 0 "[ . 1 . 2]" 1
417 2 11 ASP H 2 12 ILE QG 4.000 . 6.000 4.376 3.861 4.689 . 0 0 "[ . 1 . 2]" 1
418 2 11 ASP H 2 14 LYS H 4.000 . 6.000 4.868 4.452 5.052 . 0 0 "[ . 1 . 2]" 1
419 2 11 ASP HA 2 12 ILE QG 4.000 . 6.000 5.111 4.860 5.233 . 0 0 "[ . 1 . 2]" 1
420 2 11 ASP HA 2 14 LYS H 4.000 . 5.000 3.723 3.554 4.023 . 0 0 "[ . 1 . 2]" 1
421 2 11 ASP QB 2 12 ILE MD 4.000 . 6.500 4.048 3.060 4.537 . 0 0 "[ . 1 . 2]" 1
422 2 12 ILE H 2 12 ILE MD 4.000 . 5.500 3.441 2.958 3.781 . 0 0 "[ . 1 . 2]" 1
423 2 12 ILE H 2 12 ILE QG 4.000 . 5.000 2.287 2.007 2.472 . 0 0 "[ . 1 . 2]" 1
424 2 12 ILE H 2 12 ILE MG 4.000 . 5.500 3.733 3.717 3.747 . 0 0 "[ . 1 . 2]" 1
425 2 12 ILE H 2 13 ARG H 3.500 . 4.000 2.581 2.357 2.673 . 0 0 "[ . 1 . 2]" 1
426 2 12 ILE HA 2 12 ILE MD 4.000 . 5.500 3.001 1.998 3.812 . 0 0 "[ . 1 . 2]" 1
427 2 12 ILE HA 2 12 ILE MG 3.500 . 4.300 2.374 2.327 2.411 . 0 0 "[ . 1 . 2]" 1
428 2 12 ILE HA 2 13 ARG H 4.000 . 6.000 3.549 3.536 3.559 . 0 0 "[ . 1 . 2]" 1
429 2 12 ILE HA 2 13 ARG QB 4.000 . 6.000 5.277 5.208 5.437 . 0 0 "[ . 1 . 2]" 1
430 2 12 ILE HA 2 15 GLN H 4.000 . 5.000 3.516 3.233 3.922 . 0 0 "[ . 1 . 2]" 1
431 2 12 ILE HB 2 12 ILE MD 3.500 . 4.300 2.721 2.211 3.192 . 0 0 "[ . 1 . 2]" 1
432 2 12 ILE HB 2 13 ARG H 3.500 . 4.000 2.577 2.471 2.670 . 0 0 "[ . 1 . 2]" 1
433 2 12 ILE QG 2 13 ARG H 4.000 . 6.000 4.069 3.880 4.140 . 0 0 "[ . 1 . 2]" 1
434 2 12 ILE MG 2 13 ARG H 4.000 . 5.500 3.291 3.206 3.517 . 0 0 "[ . 1 . 2]" 1
435 2 12 ILE MG 2 15 GLN H 4.000 . 5.500 4.540 4.348 5.255 . 0 0 "[ . 1 . 2]" 1
436 2 12 ILE MG 2 16 GLU H 4.000 . 5.500 4.021 3.814 4.344 . 0 0 "[ . 1 . 2]" 1
437 2 12 ILE MG 2 16 GLU QG 4.000 . 6.500 4.545 2.576 5.409 . 0 0 "[ . 1 . 2]" 1
438 2 13 ARG H 2 13 ARG QB 2.500 . 2.900 2.286 2.252 2.379 . 0 0 "[ . 1 . 2]" 1
439 2 13 ARG H 2 14 LYS H 3.500 . 4.000 2.733 2.622 2.961 . 0 0 "[ . 1 . 2]" 1
440 2 13 ARG H 2 15 GLN H 4.000 . 6.000 4.054 3.867 4.658 . 0 0 "[ . 1 . 2]" 1
441 2 13 ARG HA 2 13 ARG QD 4.000 . 6.000 3.938 2.202 4.179 . 0 0 "[ . 1 . 2]" 1
442 2 13 ARG HA 2 16 GLU H 4.000 . 5.000 3.463 3.225 4.067 . 0 0 "[ . 1 . 2]" 1
443 2 13 ARG HA 2 16 GLU QB 4.000 . 6.000 2.944 2.626 4.171 . 0 0 "[ . 1 . 2]" 1
444 2 13 ARG QB 2 14 LYS H 2.500 . 2.900 2.461 2.120 2.688 . 0 0 "[ . 1 . 2]" 1
445 2 13 ARG QG 2 14 LYS H 3.500 . 4.000 3.708 3.243 4.161 0.161 18 0 "[ . 1 . 2]" 1
446 2 14 LYS H 2 14 LYS QG 3.500 . 4.000 3.958 3.877 4.037 0.037 1 0 "[ . 1 . 2]" 1
447 2 14 LYS H 2 15 GLN H 4.000 . 5.000 2.664 2.374 2.936 . 0 0 "[ . 1 . 2]" 1
448 2 14 LYS H 2 16 GLU H 4.000 . 6.000 4.236 3.914 4.314 . 0 0 "[ . 1 . 2]" 1
449 2 14 LYS H 2 17 GLU H 4.000 . 6.000 4.752 4.610 4.914 . 0 0 "[ . 1 . 2]" 1
450 2 14 LYS HA 2 14 LYS QD 4.000 . 5.000 3.696 2.091 4.139 . 0 0 "[ . 1 . 2]" 1
451 2 14 LYS QG 2 15 GLN HA 4.000 . 5.000 3.824 3.511 4.126 . 0 0 "[ . 1 . 2]" 1
452 2 14 LYS QG 2 18 ARG QD 4.000 . 5.000 3.801 2.597 5.013 0.013 17 0 "[ . 1 . 2]" 1
453 2 15 GLN H 2 16 GLU H 3.500 . 4.000 2.599 2.492 2.925 . 0 0 "[ . 1 . 2]" 1
454 2 15 GLN HA 2 16 GLU H 4.000 . 6.000 3.542 3.520 3.554 . 0 0 "[ . 1 . 2]" 1
455 2 15 GLN HA 2 18 ARG QB 4.000 . 5.000 2.983 2.667 3.343 . 0 0 "[ . 1 . 2]" 1
456 2 15 GLN QB 2 16 GLU H 3.500 . 4.000 2.572 2.458 2.692 . 0 0 "[ . 1 . 2]" 1
457 2 15 GLN QB 2 19 VAL MG2 4.000 . 6.500 4.109 3.341 4.850 . 0 0 "[ . 1 . 2]" 1
458 2 16 GLU H 2 17 GLU H 3.500 . 4.000 2.567 2.514 2.620 . 0 0 "[ . 1 . 2]" 1
459 2 16 GLU HA 2 16 GLU QG 3.500 . 3.800 2.486 2.317 3.344 . 0 0 "[ . 1 . 2]" 1
460 2 16 GLU HA 2 19 VAL H 4.000 . 5.000 3.496 3.371 3.707 . 0 0 "[ . 1 . 2]" 1
461 2 16 GLU HA 2 19 VAL HB 4.000 . 5.000 2.858 2.695 3.000 . 0 0 "[ . 1 . 2]" 1
462 2 17 GLU H 2 17 GLU QB 2.500 . 2.900 2.320 2.255 2.416 . 0 0 "[ . 1 . 2]" 1
463 2 17 GLU H 2 17 GLU QG 3.500 . 4.000 3.014 2.137 4.041 0.041 20 0 "[ . 1 . 2]" 1
464 2 17 GLU H 2 18 ARG H 3.500 . 4.000 2.678 2.596 2.724 . 0 0 "[ . 1 . 2]" 1
465 2 17 GLU H 2 19 VAL MG2 4.000 . 5.500 5.261 5.015 5.462 . 0 0 "[ . 1 . 2]" 1
466 2 17 GLU HA 2 17 GLU QG 3.500 . 3.800 2.445 2.288 2.817 . 0 0 "[ . 1 . 2]" 1
467 2 17 GLU HA 2 20 GLN H 3.500 . 4.000 3.461 3.371 3.535 . 0 0 "[ . 1 . 2]" 1
468 2 17 GLU HA 2 20 GLN QB 3.500 . 3.800 2.613 2.487 2.736 . 0 0 "[ . 1 . 2]" 1
469 2 17 GLU QB 2 18 ARG QD 4.000 . 6.000 5.519 4.723 6.295 0.295 19 0 "[ . 1 . 2]" 1
470 2 18 ARG H 2 18 ARG QB 2.500 . 2.900 2.293 2.246 2.378 . 0 0 "[ . 1 . 2]" 1
471 2 18 ARG H 2 19 VAL H 3.500 . 4.000 2.691 2.653 2.740 . 0 0 "[ . 1 . 2]" 1
472 2 18 ARG HA 2 18 ARG QD 4.000 . 5.000 3.858 2.236 4.170 . 0 0 "[ . 1 . 2]" 1
473 2 18 ARG HA 2 19 VAL MG2 4.000 . 6.500 4.981 4.834 5.074 . 0 0 "[ . 1 . 2]" 1
474 2 18 ARG QB 2 19 VAL MG2 4.000 . 6.500 3.117 2.920 3.234 . 0 0 "[ . 1 . 2]" 1
475 2 18 ARG QB 2 20 GLN H 4.000 . 5.000 4.704 4.653 4.759 . 0 0 "[ . 1 . 2]" 1
476 2 18 ARG QD 2 19 VAL MG2 4.000 . 6.500 4.528 3.802 5.698 . 0 0 "[ . 1 . 2]" 1
477 2 18 ARG QD 2 22 VAL QG 4.000 . 6.500 4.882 4.050 6.038 . 0 0 "[ . 1 . 2]" 1
478 2 19 VAL H 2 19 VAL HB 3.500 . 4.000 2.409 2.334 2.502 . 0 0 "[ . 1 . 2]" 1
479 2 19 VAL H 2 19 VAL MG1 3.500 . 4.500 3.731 3.709 3.747 . 0 0 "[ . 1 . 2]" 1
480 2 19 VAL H 2 19 VAL MG2 2.500 . 3.400 2.263 2.138 2.413 . 0 0 "[ . 1 . 2]" 1
481 2 19 VAL H 2 20 GLN H 3.500 . 4.000 2.624 2.578 2.652 . 0 0 "[ . 1 . 2]" 1
482 2 19 VAL HA 2 19 VAL MG1 3.500 . 4.300 2.373 2.310 2.426 . 0 0 "[ . 1 . 2]" 1
483 2 19 VAL HA 2 19 VAL MG2 3.500 . 4.300 2.298 2.212 2.395 . 0 0 "[ . 1 . 2]" 1
484 2 19 VAL HA 2 20 GLN H 4.000 . 6.000 3.544 3.538 3.549 . 0 0 "[ . 1 . 2]" 1
485 2 19 VAL HA 2 22 VAL H 4.000 . 5.000 3.409 3.345 3.467 . 0 0 "[ . 1 . 2]" 1
486 2 19 VAL HA 2 22 VAL HB 4.000 . 6.000 2.947 2.762 3.149 . 0 0 "[ . 1 . 2]" 1
487 2 19 VAL HA 2 22 VAL QG 4.000 . 6.500 2.938 2.699 3.099 . 0 0 "[ . 1 . 2]" 1
488 2 19 VAL MG1 2 20 GLN H 4.000 . 5.500 3.324 3.216 3.475 . 0 0 "[ . 1 . 2]" 1
489 2 19 VAL MG1 2 20 GLN HA 4.000 . 5.500 3.341 3.213 3.500 . 0 0 "[ . 1 . 2]" 1
490 2 19 VAL MG1 2 23 ARG QG 4.000 . 6.500 4.784 2.807 5.441 . 0 0 "[ . 1 . 2]" 1
491 2 19 VAL MG2 2 20 GLN H 4.000 . 5.500 3.912 3.819 4.006 . 0 0 "[ . 1 . 2]" 1
492 2 20 GLN H 2 20 GLN QG 3.500 . 4.000 3.126 2.199 4.046 0.046 15 0 "[ . 1 . 2]" 1
493 2 20 GLN H 2 21 GLN H 3.500 . 4.000 2.708 2.660 2.743 . 0 0 "[ . 1 . 2]" 1
494 2 20 GLN HA 2 22 VAL HB 4.000 . 6.000 5.158 4.952 5.479 . 0 0 "[ . 1 . 2]" 1
495 2 20 GLN HA 2 23 ARG H 4.000 . 5.000 3.516 3.408 3.671 . 0 0 "[ . 1 . 2]" 1
496 2 20 GLN HA 2 23 ARG QB 4.000 . 5.000 2.845 2.781 2.954 . 0 0 "[ . 1 . 2]" 1
497 2 20 GLN HA 2 23 ARG QD 4.000 . 6.000 3.969 2.506 5.548 . 0 0 "[ . 1 . 2]" 1
498 2 20 GLN QB 2 21 GLN H 2.500 . 2.900 2.633 2.544 2.784 . 0 0 "[ . 1 . 2]" 1
499 2 20 GLN QB 2 21 GLN QG 3.500 . 3.800 3.289 3.177 3.374 . 0 0 "[ . 1 . 2]" 1
500 2 21 GLN H 2 21 GLN QB 3.500 . 4.000 2.358 2.322 2.402 . 0 0 "[ . 1 . 2]" 1
501 2 21 GLN H 2 21 GLN QG 4.000 . 5.000 2.271 2.167 2.356 . 0 0 "[ . 1 . 2]" 1
502 2 21 GLN H 2 22 VAL H 2.500 . 2.900 2.660 2.581 2.696 . 0 0 "[ . 1 . 2]" 1
503 2 21 GLN H 2 22 VAL QG 4.000 . 6.500 4.103 3.967 4.210 . 0 0 "[ . 1 . 2]" 1
504 2 21 GLN H 2 23 ARG H 4.000 . 6.000 4.214 4.110 4.266 . 0 0 "[ . 1 . 2]" 1
505 2 21 GLN H 2 24 LYS H 4.000 . 5.000 4.805 4.606 5.000 0.000 2 0 "[ . 1 . 2]" 1
506 2 21 GLN HA 2 22 VAL H 4.000 . 5.000 3.544 3.531 3.553 . 0 0 "[ . 1 . 2]" 1
507 2 21 GLN HA 2 25 LYS QG 4.000 . 5.000 4.558 3.896 4.985 . 0 0 "[ . 1 . 2]" 1
508 2 21 GLN QB 2 22 VAL H 4.000 . 5.000 2.572 2.512 2.640 . 0 0 "[ . 1 . 2]" 1
509 2 22 VAL H 2 22 VAL HB 2.500 . 2.900 2.426 2.394 2.498 . 0 0 "[ . 1 . 2]" 1
510 2 22 VAL H 2 22 VAL QG 2.500 . 3.400 2.177 2.069 2.274 . 0 0 "[ . 1 . 2]" 1
511 2 22 VAL H 2 23 ARG H 3.500 . 4.000 2.697 2.655 2.731 . 0 0 "[ . 1 . 2]" 1
512 2 22 VAL HA 2 23 ARG H 4.000 . 6.000 3.553 3.547 3.558 . 0 0 "[ . 1 . 2]" 1
513 2 22 VAL HA 2 25 LYS H 4.000 . 5.000 3.671 3.587 3.799 . 0 0 "[ . 1 . 2]" 1
514 2 22 VAL HA 2 25 LYS QB 4.000 . 6.000 3.215 2.932 4.165 . 0 0 "[ . 1 . 2]" 1
515 2 22 VAL HA 2 25 LYS QD 4.000 . 6.000 3.380 2.498 4.701 . 0 0 "[ . 1 . 2]" 1
516 2 22 VAL HA 2 25 LYS QG 4.000 . 6.000 3.871 2.189 4.539 . 0 0 "[ . 1 . 2]" 1
517 2 22 VAL HB 2 23 ARG H 3.500 . 4.000 2.558 2.516 2.598 . 0 0 "[ . 1 . 2]" 1
518 2 22 VAL HB 2 23 ARG QG 4.000 . 6.000 5.406 3.299 5.996 . 0 0 "[ . 1 . 2]" 1
519 2 22 VAL QG 2 25 LYS QE 4.000 . 5.500 4.625 2.975 5.338 . 0 0 "[ . 1 . 2]" 1
520 2 23 ARG H 2 23 ARG QB 2.500 . 2.900 2.270 2.241 2.352 . 0 0 "[ . 1 . 2]" 1
521 2 23 ARG H 2 23 ARG QG 4.000 . 5.000 3.710 2.284 4.033 . 0 0 "[ . 1 . 2]" 1
522 2 23 ARG H 2 24 LYS H 3.500 . 4.000 2.688 2.591 2.813 . 0 0 "[ . 1 . 2]" 1
523 2 23 ARG H 2 24 LYS HA 4.000 . 6.000 5.289 5.204 5.397 . 0 0 "[ . 1 . 2]" 1
524 2 23 ARG HA 2 26 LEU H 4.000 . 5.000 3.489 3.211 3.766 . 0 0 "[ . 1 . 2]" 1
525 2 23 ARG HA 2 26 LEU QB 4.000 . 6.000 2.373 2.135 2.783 . 0 0 "[ . 1 . 2]" 1
526 2 23 ARG HA 2 26 LEU HG 4.000 . 5.000 4.317 3.403 5.067 0.067 18 0 "[ . 1 . 2]" 1
527 2 23 ARG QG 2 27 GLU H 4.000 . 5.000 3.966 3.400 5.203 0.203 16 0 "[ . 1 . 2]" 1
528 2 24 LYS H 2 24 LYS QB 2.500 . 2.900 2.315 2.249 2.513 . 0 0 "[ . 1 . 2]" 1
529 2 24 LYS H 2 24 LYS QG 3.500 . 4.000 3.233 1.932 3.951 . 0 0 "[ . 1 . 2]" 1
530 2 24 LYS H 2 25 LYS H 3.500 . 4.000 2.849 2.766 2.935 . 0 0 "[ . 1 . 2]" 1
531 2 24 LYS H 2 26 LEU H 4.000 . 5.000 4.174 3.741 4.656 . 0 0 "[ . 1 . 2]" 1
532 2 24 LYS QB 2 24 LYS QD 2.500 . 2.700 2.135 2.130 2.199 . 0 0 "[ . 1 . 2]" 1
533 2 24 LYS QB 2 24 LYS QE 4.000 . 6.000 3.578 3.529 3.651 . 0 0 "[ . 1 . 2]" 1
534 2 24 LYS QG 2 25 LYS H 4.000 . 5.000 3.719 3.399 4.145 . 0 0 "[ . 1 . 2]" 1
535 2 25 LYS H 2 25 LYS QG 3.500 . 4.000 2.241 1.883 2.359 . 0 0 "[ . 1 . 2]" 1
536 2 25 LYS H 2 26 LEU H 3.500 . 4.000 2.681 2.467 2.911 . 0 0 "[ . 1 . 2]" 1
537 2 25 LYS H 2 26 LEU QD 4.000 . 6.500 5.163 3.850 5.595 . 0 0 "[ . 1 . 2]" 1
538 2 25 LYS H 2 27 GLU H 4.000 . 6.000 4.417 4.089 4.676 . 0 0 "[ . 1 . 2]" 1
539 2 25 LYS HA 2 25 LYS QG 3.500 . 3.800 2.364 2.295 3.301 . 0 0 "[ . 1 . 2]" 1
540 2 25 LYS HA 2 28 GLU H 4.000 . 5.000 3.425 3.057 3.845 . 0 0 "[ . 1 . 2]" 1
541 2 25 LYS QB 2 26 LEU H 4.000 . 5.000 2.640 2.157 3.694 . 0 0 "[ . 1 . 2]" 1
542 2 26 LEU H 2 26 LEU QB 3.500 . 4.000 2.295 2.115 2.540 . 0 0 "[ . 1 . 2]" 1
543 2 26 LEU H 2 26 LEU MD2 3.500 . 4.500 3.878 2.374 4.317 . 0 0 "[ . 1 . 2]" 1
544 2 26 LEU HA 2 26 LEU QD 4.000 . 6.500 2.104 1.887 2.812 . 0 0 "[ . 1 . 2]" 1
545 2 26 LEU HA 2 27 GLU H 4.000 . 5.000 3.567 3.548 3.576 . 0 0 "[ . 1 . 2]" 1
546 2 26 LEU QD 2 27 GLU H 4.000 . 5.500 3.670 3.013 4.058 . 0 0 "[ . 1 . 2]" 1
547 2 26 LEU HG 2 30 LEU QD 4.000 . 5.500 3.994 2.191 5.600 0.100 9 0 "[ . 1 . 2]" 1
548 2 27 GLU H 2 27 GLU QB 2.500 . 2.900 2.353 2.157 2.536 . 0 0 "[ . 1 . 2]" 1
549 2 27 GLU H 2 27 GLU QG 4.000 . 5.000 2.628 1.906 4.033 . 0 0 "[ . 1 . 2]" 1
550 2 27 GLU H 2 28 GLU H 3.500 . 4.000 2.607 2.520 2.730 . 0 0 "[ . 1 . 2]" 1
551 2 27 GLU H 2 29 ALA H 4.000 . 6.000 4.319 4.133 4.577 . 0 0 "[ . 1 . 2]" 1
552 2 27 GLU HA 2 30 LEU H 4.000 . 6.000 3.364 3.188 3.541 . 0 0 "[ . 1 . 2]" 1
553 2 27 GLU HA 2 30 LEU QB 4.000 . 6.000 2.420 2.199 2.596 . 0 0 "[ . 1 . 2]" 1
554 2 27 GLU HA 2 30 LEU QD 4.000 . 5.500 2.676 2.172 3.763 . 0 0 "[ . 1 . 2]" 1
555 2 27 GLU QB 2 28 GLU H 3.500 . 4.000 2.700 2.390 3.490 . 0 0 "[ . 1 . 2]" 1
556 2 28 GLU H 2 28 GLU QB 3.500 . 4.000 2.306 2.251 2.416 . 0 0 "[ . 1 . 2]" 1
557 2 28 GLU H 2 29 ALA H 4.000 . 5.000 2.759 2.675 2.890 . 0 0 "[ . 1 . 2]" 1
558 2 28 GLU H 2 29 ALA MB 4.000 . 5.500 4.403 4.339 4.502 . 0 0 "[ . 1 . 2]" 1
559 2 28 GLU HA 2 29 ALA H 4.000 . 5.000 3.560 3.534 3.575 . 0 0 "[ . 1 . 2]" 1
560 2 28 GLU HA 2 31 MET H 4.000 . 5.000 3.341 3.091 3.650 . 0 0 "[ . 1 . 2]" 1
561 2 28 GLU HA 2 31 MET QB 4.000 . 6.000 2.828 2.482 3.760 . 0 0 "[ . 1 . 2]" 1
562 2 28 GLU HA 2 32 ALA H 4.000 . 6.000 4.538 3.686 4.970 . 0 0 "[ . 1 . 2]" 1
563 2 28 GLU QB 2 29 ALA H 4.000 . 5.000 2.433 2.215 2.628 . 0 0 "[ . 1 . 2]" 1
564 2 29 ALA H 2 29 ALA MB 2.500 . 3.400 2.201 2.135 2.240 . 0 0 "[ . 1 . 2]" 1
565 2 29 ALA H 2 30 LEU H 4.000 . 5.000 2.573 2.484 2.640 . 0 0 "[ . 1 . 2]" 1
566 2 29 ALA HA 2 30 LEU H 4.000 . 6.000 3.460 3.439 3.487 . 0 0 "[ . 1 . 2]" 1
567 2 29 ALA HA 2 31 MET H 4.000 . 6.000 4.318 4.238 4.461 . 0 0 "[ . 1 . 2]" 1
568 2 29 ALA HA 2 32 ALA MB 2.500 . 3.200 2.939 2.361 3.572 0.372 9 0 "[ . 1 . 2]" 1
569 2 29 ALA MB 2 30 LEU H 3.500 . 4.500 2.880 2.785 2.944 . 0 0 "[ . 1 . 2]" 1
570 2 29 ALA MB 2 30 LEU QB 4.000 . 5.500 4.205 3.827 4.418 . 0 0 "[ . 1 . 2]" 1
571 2 29 ALA MB 2 31 MET H 4.000 . 5.500 4.609 4.536 4.711 . 0 0 "[ . 1 . 2]" 1
572 2 30 LEU H 2 30 LEU QB 3.500 . 4.000 2.301 2.159 2.391 . 0 0 "[ . 1 . 2]" 1
573 2 30 LEU H 2 30 LEU QD 3.500 . 4.500 3.217 2.176 3.722 . 0 0 "[ . 1 . 2]" 1
574 2 30 LEU H 2 30 LEU HG 4.000 . 5.500 3.313 2.381 4.429 . 0 0 "[ . 1 . 2]" 1
575 2 30 LEU H 2 31 MET H 3.500 . 4.000 2.361 2.182 2.602 . 0 0 "[ . 1 . 2]" 1
576 2 30 LEU H 2 32 ALA H 4.000 . 5.000 3.865 3.520 4.245 . 0 0 "[ . 1 . 2]" 1
577 2 30 LEU HA 2 30 LEU QD 4.000 . 6.500 2.089 1.900 2.544 . 0 0 "[ . 1 . 2]" 1
578 2 30 LEU QB 2 31 MET H 4.000 . 5.000 2.745 2.495 2.921 . 0 0 "[ . 1 . 2]" 1
579 2 30 LEU QD 2 31 MET H 4.000 . 5.500 4.062 3.805 4.203 . 0 0 "[ . 1 . 2]" 1
580 2 30 LEU QD 2 31 MET ME 4.000 . 7.000 5.855 4.149 6.756 . 0 0 "[ . 1 . 2]" 1
581 2 31 MET H 2 31 MET QB 2.500 . 2.900 2.302 2.159 2.497 . 0 0 "[ . 1 . 2]" 1
582 2 31 MET HA 2 32 ALA H 3.500 . 4.000 3.429 3.331 3.569 . 0 0 "[ . 1 . 2]" 1
583 2 31 MET QB 2 32 ALA H 3.500 . 4.000 2.982 2.314 3.748 . 0 0 "[ . 1 . 2]" 1
584 2 31 MET QG 2 32 ALA HA 4.000 . 6.000 5.028 3.494 5.996 . 0 0 "[ . 1 . 2]" 1
585 2 32 ALA H 2 32 ALA MB 2.500 . 3.400 2.250 2.080 2.637 . 0 0 "[ . 1 . 2]" 1
586 2 32 ALA H 2 33 ASP H 4.000 . 5.000 3.761 2.194 4.643 . 0 0 "[ . 1 . 2]" 1
587 2 32 ALA H 2 34 ILE H 4.000 . 5.000 4.822 4.170 5.197 0.197 12 0 "[ . 1 . 2]" 1
588 2 32 ALA H 2 34 ILE MG 4.000 . 6.500 6.073 4.869 6.728 0.228 5 0 "[ . 1 . 2]" 1
589 2 32 ALA H 2 36 SER H 4.000 . 5.000 5.027 4.385 5.197 0.197 1 0 "[ . 1 . 2]" 1
590 2 32 ALA HA 2 33 ASP H 2.500 . 3.500 2.757 2.176 3.542 0.042 13 0 "[ . 1 . 2]" 1
591 2 33 ASP H 2 33 ASP QB 3.500 . 4.000 2.588 2.243 3.496 . 0 0 "[ . 1 . 2]" 1
592 2 33 ASP H 2 34 ILE H 4.000 . 5.000 2.898 2.234 4.052 . 0 0 "[ . 1 . 2]" 1
593 2 33 ASP HA 2 34 ILE H 3.500 . 4.000 3.304 2.393 3.573 . 0 0 "[ . 1 . 2]" 1
594 2 33 ASP QB 2 34 ILE H 4.000 . 5.000 3.009 1.882 4.049 . 0 0 "[ . 1 . 2]" 1
595 2 34 ILE H 2 34 ILE HB 3.500 . 4.000 3.180 2.396 3.949 . 0 0 "[ . 1 . 2]" 1
596 2 34 ILE H 2 34 ILE QG 4.000 . 5.000 3.296 1.938 4.161 . 0 0 "[ . 1 . 2]" 1
597 2 34 ILE H 2 34 ILE MG 3.500 . 4.500 2.715 1.945 4.003 . 0 0 "[ . 1 . 2]" 1
598 2 34 ILE H 2 35 LEU H 2.500 . 2.900 2.539 1.797 3.037 0.137 4 0 "[ . 1 . 2]" 1
599 2 34 ILE HA 2 35 LEU H 3.500 . 4.000 3.285 2.516 3.575 . 0 0 "[ . 1 . 2]" 1
600 2 34 ILE MG 2 35 LEU H 3.500 . 4.500 3.173 1.618 4.337 0.182 19 0 "[ . 1 . 2]" 1
601 2 34 ILE MG 2 35 LEU QB 4.000 . 5.500 3.970 2.328 5.618 0.118 16 0 "[ . 1 . 2]" 1
602 2 34 ILE MG 2 36 SER H 4.000 . 6.500 4.388 2.795 6.528 0.028 5 0 "[ . 1 . 2]" 1
603 2 35 LEU H 2 35 LEU QB 2.500 . 3.500 2.714 2.247 3.235 . 0 0 "[ . 1 . 2]" 1
604 2 35 LEU H 2 36 SER H 4.000 . 5.500 2.891 2.038 4.044 . 0 0 "[ . 1 . 2]" 1
605 2 35 LEU HA 2 35 LEU QD 3.500 . 4.300 2.154 1.899 2.592 . 0 0 "[ . 1 . 2]" 1
606 2 35 LEU HA 2 36 SER H 3.500 . 4.000 2.886 2.159 3.560 . 0 0 "[ . 1 . 2]" 1
607 2 35 LEU QB 2 36 SER H 4.000 . 5.000 3.379 1.762 4.048 0.038 6 0 "[ . 1 . 2]" 1
608 2 36 SER H 2 36 SER QB 3.500 . 4.000 2.934 2.133 3.522 . 0 0 "[ . 1 . 2]" 1
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