NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | in_recoord | in_dress | stage | program | type | subtype | subsubtype |
|
|
372262 |
1d5v   |
cing | recoord | dress | 4-filtered-FRED | Wattos | check | violation | distance |
data_1d5v
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 965
_Distance_constraint_stats_list.Viol_count 1933
_Distance_constraint_stats_list.Viol_total 4834.645
_Distance_constraint_stats_list.Viol_max 0.577
_Distance_constraint_stats_list.Viol_rms 0.0374
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0080
_Distance_constraint_stats_list.Viol_average_violations_only 0.1000
_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 MET 2.433 0.330 14 0 "[ . 1 . 2 .]"
1 2 LEU 4.387 0.330 14 0 "[ . 1 . 2 .]"
1 3 VAL 1.716 0.221 12 0 "[ . 1 . 2 .]"
1 4 LYS 0.832 0.221 12 0 "[ . 1 . 2 .]"
1 5 PRO 6.820 0.198 10 0 "[ . 1 . 2 .]"
1 6 PRO 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 7 TYR 7.912 0.225 8 0 "[ . 1 . 2 .]"
1 8 SER 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 9 TYR 1.990 0.188 21 0 "[ . 1 . 2 .]"
1 10 ILE 0.491 0.115 6 0 "[ . 1 . 2 .]"
1 11 ALA 7.026 0.272 3 0 "[ . 1 . 2 .]"
1 12 LEU 2.438 0.161 1 0 "[ . 1 . 2 .]"
1 13 ILE 1.579 0.105 4 0 "[ . 1 . 2 .]"
1 14 THR 6.495 0.272 3 0 "[ . 1 . 2 .]"
1 15 MET 5.463 0.232 3 0 "[ . 1 . 2 .]"
1 16 ALA 4.111 0.186 21 0 "[ . 1 . 2 .]"
1 17 ILE 11.632 0.311 18 0 "[ . 1 . 2 .]"
1 18 GLN 7.726 0.288 1 0 "[ . 1 . 2 .]"
1 19 ASN 1.344 0.192 1 0 "[ . 1 . 2 .]"
1 20 ALA 2.986 0.242 25 0 "[ . 1 . 2 .]"
1 21 PRO 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 23 LYS 4.230 0.311 18 0 "[ . 1 . 2 .]"
1 24 LYS 4.471 0.253 21 0 "[ . 1 . 2 .]"
1 25 ILE 0.111 0.050 23 0 "[ . 1 . 2 .]"
1 26 THR 1.777 0.192 16 0 "[ . 1 . 2 .]"
1 27 LEU 15.027 0.414 7 0 "[ . 1 . 2 .]"
1 28 ASN 3.928 0.301 25 0 "[ . 1 . 2 .]"
1 29 GLY 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 30 ILE 1.518 0.135 2 0 "[ . 1 . 2 .]"
1 31 TYR 5.526 0.270 10 0 "[ . 1 . 2 .]"
1 32 GLN 2.627 0.270 10 0 "[ . 1 . 2 .]"
1 33 PHE 0.222 0.114 12 0 "[ . 1 . 2 .]"
1 34 ILE 5.843 0.264 6 0 "[ . 1 . 2 .]"
1 35 MET 3.839 0.233 23 0 "[ . 1 . 2 .]"
1 36 ASP 0.183 0.018 8 0 "[ . 1 . 2 .]"
1 37 ARG 0.047 0.025 18 0 "[ . 1 . 2 .]"
1 38 PHE 5.050 0.252 7 0 "[ . 1 . 2 .]"
1 39 PRO 1.079 0.127 23 0 "[ . 1 . 2 .]"
1 40 PHE 6.086 0.266 15 0 "[ . 1 . 2 .]"
1 41 TYR 16.125 0.266 15 0 "[ . 1 . 2 .]"
1 42 ARG 1.930 0.160 23 0 "[ . 1 . 2 .]"
1 43 GLU 10.360 0.505 8 1 "[ . + 1 . 2 .]"
1 44 ASN 11.227 0.505 8 1 "[ . + 1 . 2 .]"
1 45 LYS 7.294 0.256 10 0 "[ . 1 . 2 .]"
1 46 GLN 3.494 0.577 16 1 "[ . 1 .+ 2 .]"
1 47 GLY 1.146 0.150 6 0 "[ . 1 . 2 .]"
1 48 TRP 14.943 0.256 10 0 "[ . 1 . 2 .]"
1 49 GLN 3.546 0.232 24 0 "[ . 1 . 2 .]"
1 50 ASN 2.785 0.217 11 0 "[ . 1 . 2 .]"
1 51 SER 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 52 ILE 5.766 0.267 6 0 "[ . 1 . 2 .]"
1 53 ARG 19.260 0.414 7 0 "[ . 1 . 2 .]"
1 54 HIS 0.114 0.092 13 0 "[ . 1 . 2 .]"
1 55 ASN 1.713 0.267 6 0 "[ . 1 . 2 .]"
1 56 LEU 6.674 0.374 21 0 "[ . 1 . 2 .]"
1 57 SER 1.148 0.168 22 0 "[ . 1 . 2 .]"
1 58 LEU 4.936 0.259 22 0 "[ . 1 . 2 .]"
1 59 ASN 0.021 0.021 25 0 "[ . 1 . 2 .]"
1 60 GLU 3.826 0.259 22 0 "[ . 1 . 2 .]"
1 61 CYS 0.222 0.065 7 0 "[ . 1 . 2 .]"
1 62 PHE 1.734 0.148 22 0 "[ . 1 . 2 .]"
1 63 VAL 2.509 0.362 2 0 "[ . 1 . 2 .]"
1 64 LYS 5.048 0.220 4 0 "[ . 1 . 2 .]"
1 65 VAL 2.490 0.217 1 0 "[ . 1 . 2 .]"
1 66 PRO 0.512 0.206 10 0 "[ . 1 . 2 .]"
1 67 ARG 4.804 0.358 13 0 "[ . 1 . 2 .]"
1 68 ASP 1.631 0.358 13 0 "[ . 1 . 2 .]"
1 69 ASP 0.820 0.158 7 0 "[ . 1 . 2 .]"
1 70 LYS 0.791 0.211 10 0 "[ . 1 . 2 .]"
1 71 LYS 4.929 0.504 4 1 "[ +. 1 . 2 .]"
1 72 PRO 3.923 0.375 24 0 "[ . 1 . 2 .]"
1 73 GLY 3.923 0.375 24 0 "[ . 1 . 2 .]"
1 74 LYS 4.575 0.480 2 0 "[ . 1 . 2 .]"
1 75 GLY 3.248 0.480 2 0 "[ . 1 . 2 .]"
1 76 SER 1.085 0.206 10 0 "[ . 1 . 2 .]"
1 77 TYR 7.657 0.303 7 0 "[ . 1 . 2 .]"
1 78 TRP 5.877 0.220 4 0 "[ . 1 . 2 .]"
1 79 THR 0.430 0.063 10 0 "[ . 1 . 2 .]"
1 80 LEU 2.737 0.493 5 0 "[ . 1 . 2 .]"
1 81 ASP 4.466 0.493 5 0 "[ . 1 . 2 .]"
1 82 PRO 2.789 0.191 15 0 "[ . 1 . 2 .]"
1 83 ASP 2.980 0.400 21 0 "[ . 1 . 2 .]"
1 84 SER 6.082 0.400 21 0 "[ . 1 . 2 .]"
1 85 TYR 2.283 0.368 4 0 "[ . 1 . 2 .]"
1 86 ASN 10.275 0.406 21 0 "[ . 1 . 2 .]"
1 87 MET 12.476 0.406 21 0 "[ . 1 . 2 .]"
1 88 PHE 2.506 0.364 21 0 "[ . 1 . 2 .]"
1 89 GLU 3.851 0.491 24 0 "[ . 1 . 2 .]"
1 90 ASN 3.490 0.491 24 0 "[ . 1 . 2 .]"
1 91 GLY 2.332 0.360 22 0 "[ . 1 . 2 .]"
1 92 SER 1.790 0.372 9 0 "[ . 1 . 2 .]"
1 93 PHE 2.147 0.372 9 0 "[ . 1 . 2 .]"
1 94 LEU 0.230 0.180 18 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 2 LEU H 1 2 LEU HB2 2.500 . 3.000 2.574 2.487 2.669 . 0 0 "[ . 1 . 2 .]" 1
2 1 2 LEU H 1 2 LEU HG 2.500 . 3.000 2.315 1.909 2.996 . 0 0 "[ . 1 . 2 .]" 1
3 1 2 LEU HA 1 2 LEU HG 3.000 . 3.300 3.107 2.982 3.250 . 0 0 "[ . 1 . 2 .]" 1
4 1 3 VAL H 1 3 VAL QG 2.500 . 3.500 2.060 1.766 2.483 0.034 4 0 "[ . 1 . 2 .]" 1
5 1 3 VAL HA 1 3 VAL QG 2.500 . 3.200 2.259 2.098 2.346 . 0 0 "[ . 1 . 2 .]" 1
6 1 4 LYS H 1 4 LYS QB 2.500 . 3.000 2.519 2.242 2.825 . 0 0 "[ . 1 . 2 .]" 1
7 1 5 PRO HA 1 5 PRO QG 3.000 . 3.300 3.244 2.739 3.498 0.198 10 0 "[ . 1 . 2 .]" 1
8 1 9 TYR H 1 9 TYR HB2 3.000 . 3.600 2.449 2.331 2.540 . 0 0 "[ . 1 . 2 .]" 1
9 1 10 ILE H 1 10 ILE HB 2.500 . 3.000 2.516 2.382 2.663 . 0 0 "[ . 1 . 2 .]" 1
10 1 10 ILE H 1 10 ILE MG 3.000 . 4.100 3.766 3.741 3.779 . 0 0 "[ . 1 . 2 .]" 1
11 1 10 ILE H 1 10 ILE QG 3.000 . 3.600 2.112 1.911 2.305 . 0 0 "[ . 1 . 2 .]" 1
12 1 10 ILE HA 1 10 ILE MG 2.500 . 3.200 2.342 2.261 2.425 . 0 0 "[ . 1 . 2 .]" 1
13 1 11 ALA H 1 11 ALA MB 2.500 . 3.500 2.242 2.191 2.265 . 0 0 "[ . 1 . 2 .]" 1
14 1 12 LEU H 1 12 LEU HB2 3.000 . 3.600 2.453 2.419 2.514 . 0 0 "[ . 1 . 2 .]" 1
15 1 12 LEU H 1 12 LEU HG 2.500 . 3.000 2.238 2.125 2.293 . 0 0 "[ . 1 . 2 .]" 1
16 1 12 LEU H 1 12 LEU QD 2.500 . 3.500 3.106 3.045 3.139 . 0 0 "[ . 1 . 2 .]" 1
17 1 13 ILE H 1 13 ILE MD 2.500 . 3.500 3.433 3.369 3.505 0.005 15 0 "[ . 1 . 2 .]" 1
18 1 13 ILE HA 1 13 ILE MG 2.500 . 3.200 2.364 2.317 2.406 . 0 0 "[ . 1 . 2 .]" 1
19 1 13 ILE HA 1 13 ILE QG 3.000 . 3.300 2.402 2.364 2.438 . 0 0 "[ . 1 . 2 .]" 1
20 1 14 THR HA 1 14 THR MG 2.500 . 3.200 2.324 2.304 2.360 . 0 0 "[ . 1 . 2 .]" 1
21 1 15 MET H 1 15 MET HB3 3.000 . 3.600 3.612 3.580 3.631 0.031 8 0 "[ . 1 . 2 .]" 1
22 1 15 MET H 1 15 MET HB2 2.500 . 3.000 2.404 2.365 2.442 . 0 0 "[ . 1 . 2 .]" 1
23 1 15 MET H 1 15 MET QG 3.000 . 3.600 2.361 2.272 2.460 . 0 0 "[ . 1 . 2 .]" 1
24 1 15 MET HA 1 15 MET QG 3.000 . 3.300 2.298 2.250 2.370 . 0 0 "[ . 1 . 2 .]" 1
25 1 16 ALA H 1 16 ALA MB 2.500 . 3.500 2.198 2.151 2.231 . 0 0 "[ . 1 . 2 .]" 1
26 1 17 ILE H 1 17 ILE HB 3.000 . 3.600 2.569 2.534 2.642 . 0 0 "[ . 1 . 2 .]" 1
27 1 17 ILE H 1 17 ILE MD 3.000 . 4.100 3.326 3.220 3.380 . 0 0 "[ . 1 . 2 .]" 1
28 1 17 ILE H 1 17 ILE QG 2.500 . 3.000 1.919 1.835 1.989 . 0 0 "[ . 1 . 2 .]" 1
29 1 17 ILE HA 1 17 ILE MG 2.500 . 3.200 2.300 2.258 2.380 . 0 0 "[ . 1 . 2 .]" 1
30 1 18 GLN H 1 18 GLN HB2 2.500 . 3.000 2.422 2.372 2.486 . 0 0 "[ . 1 . 2 .]" 1
31 1 18 GLN H 1 18 GLN QG 3.000 . 3.600 2.249 2.101 2.341 . 0 0 "[ . 1 . 2 .]" 1
32 1 18 GLN HA 1 18 GLN QG 2.500 . 2.700 2.422 2.286 2.786 0.086 24 0 "[ . 1 . 2 .]" 1
33 1 19 ASN H 1 19 ASN QB 3.000 . 3.600 2.414 2.285 2.769 . 0 0 "[ . 1 . 2 .]" 1
34 1 20 ALA H 1 20 ALA MB 2.500 . 3.500 2.254 2.211 2.279 . 0 0 "[ . 1 . 2 .]" 1
35 1 24 LYS HA 1 24 LYS QG 2.500 . 2.700 2.358 2.278 2.434 . 0 0 "[ . 1 . 2 .]" 1
36 1 25 ILE HA 1 25 ILE MG 3.000 . 3.800 3.201 3.194 3.213 . 0 0 "[ . 1 . 2 .]" 1
37 1 25 ILE HA 1 25 ILE QG 2.500 . 2.700 2.316 2.254 2.384 . 0 0 "[ . 1 . 2 .]" 1
38 1 26 THR HA 1 26 THR MG 2.500 . 3.200 2.366 2.239 2.492 . 0 0 "[ . 1 . 2 .]" 1
39 1 27 LEU HA 1 27 LEU HG 3.000 . 3.300 3.127 2.758 3.349 0.049 4 0 "[ . 1 . 2 .]" 1
40 1 28 ASN H 1 28 ASN QB 2.500 . 3.000 2.380 2.316 2.435 . 0 0 "[ . 1 . 2 .]" 1
41 1 30 ILE H 1 30 ILE HB 3.000 . 3.600 2.473 2.427 2.553 . 0 0 "[ . 1 . 2 .]" 1
42 1 30 ILE H 1 30 ILE MD 3.000 . 4.100 3.429 3.314 3.506 . 0 0 "[ . 1 . 2 .]" 1
43 1 30 ILE HA 1 30 ILE MG 2.500 . 3.200 2.383 2.320 2.425 . 0 0 "[ . 1 . 2 .]" 1
44 1 30 ILE HA 1 30 ILE QG 3.000 . 3.300 2.360 2.321 2.402 . 0 0 "[ . 1 . 2 .]" 1
45 1 32 GLN H 1 32 GLN QB 2.500 . 3.000 2.317 2.233 2.420 . 0 0 "[ . 1 . 2 .]" 1
46 1 32 GLN HA 1 32 GLN QG 3.000 . 3.300 2.496 2.275 2.902 . 0 0 "[ . 1 . 2 .]" 1
47 1 33 PHE H 1 33 PHE QB 3.000 . 3.600 2.255 2.207 2.290 . 0 0 "[ . 1 . 2 .]" 1
48 1 34 ILE H 1 34 ILE HB 3.000 . 3.600 2.442 2.344 2.666 . 0 0 "[ . 1 . 2 .]" 1
49 1 34 ILE HA 1 34 ILE MG 3.000 . 3.800 2.403 2.314 2.525 . 0 0 "[ . 1 . 2 .]" 1
50 1 35 MET H 1 35 MET QB 2.500 . 3.000 2.389 2.334 2.459 . 0 0 "[ . 1 . 2 .]" 1
51 1 35 MET H 1 35 MET QG 3.000 . 3.600 2.329 2.112 3.155 . 0 0 "[ . 1 . 2 .]" 1
52 1 36 ASP H 1 36 ASP HB3 3.000 . 3.600 3.607 3.600 3.618 0.018 8 0 "[ . 1 . 2 .]" 1
53 1 36 ASP H 1 36 ASP HB2 2.500 . 3.000 2.401 2.347 2.498 . 0 0 "[ . 1 . 2 .]" 1
54 1 37 ARG H 1 37 ARG QB 2.500 . 3.000 2.325 2.166 2.500 . 0 0 "[ . 1 . 2 .]" 1
55 1 38 PHE H 1 38 PHE QD 2.500 . 3.000 2.707 1.806 3.072 0.072 15 0 "[ . 1 . 2 .]" 1
56 1 40 PHE H 1 40 PHE QB 2.500 . 3.000 2.418 2.120 2.884 . 0 0 "[ . 1 . 2 .]" 1
57 1 41 TYR H 1 41 TYR QB 3.000 . 3.600 2.370 2.323 2.456 . 0 0 "[ . 1 . 2 .]" 1
58 1 42 ARG H 1 42 ARG HB3 3.000 . 3.600 3.621 3.606 3.636 0.036 15 0 "[ . 1 . 2 .]" 1
59 1 42 ARG H 1 42 ARG HB2 2.500 . 3.000 2.449 2.374 2.586 . 0 0 "[ . 1 . 2 .]" 1
60 1 42 ARG H 1 42 ARG QG 3.000 . 3.600 2.262 1.958 2.469 . 0 0 "[ . 1 . 2 .]" 1
61 1 42 ARG HA 1 42 ARG QG 2.500 . 2.700 2.348 2.273 2.777 0.077 21 0 "[ . 1 . 2 .]" 1
62 1 43 GLU H 1 43 GLU QB 3.000 . 3.600 2.375 2.250 2.619 . 0 0 "[ . 1 . 2 .]" 1
63 1 43 GLU HA 1 43 GLU QG 3.000 . 3.300 2.461 2.298 3.302 0.002 16 0 "[ . 1 . 2 .]" 1
64 1 44 ASN H 1 44 ASN QB 3.000 . 3.600 2.536 2.366 2.725 . 0 0 "[ . 1 . 2 .]" 1
65 1 45 LYS H 1 45 LYS HB3 3.000 . 3.600 3.668 3.618 3.776 0.176 16 0 "[ . 1 . 2 .]" 1
66 1 45 LYS H 1 45 LYS HB2 2.500 . 3.000 2.453 2.382 2.607 . 0 0 "[ . 1 . 2 .]" 1
67 1 45 LYS H 1 45 LYS QG 2.500 . 3.000 2.587 2.237 2.863 . 0 0 "[ . 1 . 2 .]" 1
68 1 46 GLN H 1 46 GLN QB 2.500 . 3.000 2.388 2.306 2.532 . 0 0 "[ . 1 . 2 .]" 1
69 1 46 GLN H 1 46 GLN QG 2.500 . 3.000 2.378 2.007 3.105 0.105 6 0 "[ . 1 . 2 .]" 1
70 1 46 GLN HA 1 46 GLN QG 2.500 . 2.700 2.461 2.289 3.277 0.577 16 1 "[ . 1 .+ 2 .]" 1
71 1 48 TRP H 1 48 TRP HD1 2.500 . 3.000 2.432 2.056 2.989 . 0 0 "[ . 1 . 2 .]" 1
72 1 48 TRP H 1 48 TRP QB 2.500 . 3.000 2.407 2.222 2.585 . 0 0 "[ . 1 . 2 .]" 1
73 1 50 ASN H 1 50 ASN QB 2.500 . 3.000 2.379 2.318 2.478 . 0 0 "[ . 1 . 2 .]" 1
74 1 51 SER H 1 51 SER QB 3.000 . 3.600 2.390 2.245 2.465 . 0 0 "[ . 1 . 2 .]" 1
75 1 52 ILE H 1 52 ILE HB 3.000 . 3.600 2.429 2.261 2.518 . 0 0 "[ . 1 . 2 .]" 1
76 1 52 ILE H 1 52 ILE QG 3.000 . 3.600 2.188 2.015 2.374 . 0 0 "[ . 1 . 2 .]" 1
77 1 52 ILE HA 1 52 ILE MG 2.500 . 3.200 2.424 2.343 2.555 . 0 0 "[ . 1 . 2 .]" 1
78 1 53 ARG H 1 53 ARG QB 2.500 . 3.000 2.592 2.292 2.793 . 0 0 "[ . 1 . 2 .]" 1
79 1 53 ARG H 1 53 ARG QG 2.500 . 3.000 1.974 1.735 2.522 0.065 11 0 "[ . 1 . 2 .]" 1
80 1 53 ARG HA 1 53 ARG QG 3.000 . 3.300 2.742 2.304 3.326 0.026 6 0 "[ . 1 . 2 .]" 1
81 1 54 HIS H 1 54 HIS QB 2.500 . 3.000 2.291 2.071 2.421 . 0 0 "[ . 1 . 2 .]" 1
82 1 55 ASN H 1 55 ASN QB 3.000 . 3.600 2.367 2.232 2.586 . 0 0 "[ . 1 . 2 .]" 1
83 1 58 LEU H 1 58 LEU QB 2.500 . 3.000 2.351 2.145 2.442 . 0 0 "[ . 1 . 2 .]" 1
84 1 58 LEU HA 1 58 LEU HG 2.500 . 2.700 2.637 2.289 2.888 0.188 23 0 "[ . 1 . 2 .]" 1
85 1 60 GLU H 1 60 GLU HB3 3.000 . 3.600 3.633 3.611 3.657 0.057 20 0 "[ . 1 . 2 .]" 1
86 1 60 GLU H 1 60 GLU HB2 3.000 . 3.600 2.437 2.363 2.636 . 0 0 "[ . 1 . 2 .]" 1
87 1 60 GLU H 1 60 GLU QG 3.000 . 3.600 2.408 2.222 2.811 . 0 0 "[ . 1 . 2 .]" 1
88 1 60 GLU HA 1 60 GLU QG 2.500 . 2.700 2.417 2.306 2.809 0.109 2 0 "[ . 1 . 2 .]" 1
89 1 63 VAL H 1 63 VAL QG 3.000 . 4.100 2.519 2.129 2.762 . 0 0 "[ . 1 . 2 .]" 1
90 1 63 VAL HA 1 63 VAL QG 2.500 . 3.200 2.091 2.056 2.163 . 0 0 "[ . 1 . 2 .]" 1
91 1 65 VAL H 1 65 VAL QG 3.000 . 4.100 2.289 1.688 2.900 0.112 10 0 "[ . 1 . 2 .]" 1
92 1 65 VAL HA 1 65 VAL QG 2.500 . 3.200 2.126 2.073 2.209 . 0 0 "[ . 1 . 2 .]" 1
93 1 67 ARG H 1 67 ARG QB 2.500 . 3.000 2.570 2.187 3.097 0.097 15 0 "[ . 1 . 2 .]" 1
94 1 68 ASP H 1 68 ASP QB 3.000 . 3.600 2.400 2.222 3.168 . 0 0 "[ . 1 . 2 .]" 1
95 1 69 ASP H 1 69 ASP QB 2.500 . 3.000 2.379 2.340 2.499 . 0 0 "[ . 1 . 2 .]" 1
96 1 70 LYS H 1 70 LYS QB 2.500 . 3.000 2.397 2.340 2.504 . 0 0 "[ . 1 . 2 .]" 1
97 1 70 LYS H 1 70 LYS QG 2.500 . 3.000 2.283 2.049 2.657 . 0 0 "[ . 1 . 2 .]" 1
98 1 71 LYS H 1 71 LYS QB 2.500 . 3.000 2.522 2.257 2.954 . 0 0 "[ . 1 . 2 .]" 1
99 1 71 LYS H 1 71 LYS QG 3.000 . 3.600 3.029 1.746 4.104 0.504 4 1 "[ +. 1 . 2 .]" 1
100 1 71 LYS HA 1 71 LYS QG 3.000 . 3.300 2.631 2.279 3.365 0.065 12 0 "[ . 1 . 2 .]" 1
101 1 74 LYS H 1 74 LYS QB 2.500 . 3.000 2.432 2.232 2.736 . 0 0 "[ . 1 . 2 .]" 1
102 1 79 THR H 1 79 THR MG 3.000 . 4.100 2.280 2.106 2.402 . 0 0 "[ . 1 . 2 .]" 1
103 1 79 THR HA 1 79 THR MG 3.000 . 3.800 3.200 3.191 3.211 . 0 0 "[ . 1 . 2 .]" 1
104 1 80 LEU H 1 80 LEU HG 2.500 . 3.000 2.340 2.028 2.890 . 0 0 "[ . 1 . 2 .]" 1
105 1 80 LEU H 1 80 LEU QB 2.500 . 3.000 2.453 2.363 2.627 . 0 0 "[ . 1 . 2 .]" 1
106 1 81 ASP H 1 81 ASP QB 3.000 . 3.600 2.697 2.247 3.133 . 0 0 "[ . 1 . 2 .]" 1
107 1 83 ASP H 1 83 ASP QB 2.500 . 3.000 2.469 2.323 2.857 . 0 0 "[ . 1 . 2 .]" 1
108 1 84 SER H 1 84 SER QB 2.500 . 3.000 2.391 2.107 2.953 . 0 0 "[ . 1 . 2 .]" 1
109 1 85 TYR H 1 85 TYR QB 2.500 . 3.000 2.425 2.092 2.973 . 0 0 "[ . 1 . 2 .]" 1
110 1 86 ASN H 1 86 ASN QB 2.500 . 3.000 2.533 2.275 3.030 0.030 15 0 "[ . 1 . 2 .]" 1
111 1 87 MET H 1 87 MET QB 2.500 . 3.000 2.418 2.210 3.013 0.013 12 0 "[ . 1 . 2 .]" 1
112 1 87 MET H 1 87 MET QG 2.500 . 3.000 2.519 1.801 3.122 0.122 8 0 "[ . 1 . 2 .]" 1
113 1 88 PHE H 1 88 PHE QB 2.500 . 3.000 2.499 2.221 2.931 . 0 0 "[ . 1 . 2 .]" 1
114 1 89 GLU H 1 89 GLU QB 2.500 . 3.000 2.581 2.347 3.155 0.155 19 0 "[ . 1 . 2 .]" 1
115 1 89 GLU H 1 89 GLU QG 2.500 . 3.000 2.436 1.784 3.144 0.144 13 0 "[ . 1 . 2 .]" 1
116 1 90 ASN H 1 90 ASN QB 2.500 . 3.000 2.526 2.296 3.087 0.087 15 0 "[ . 1 . 2 .]" 1
117 1 93 PHE H 1 93 PHE QB 2.500 . 3.000 2.472 2.160 3.041 0.041 1 0 "[ . 1 . 2 .]" 1
118 1 94 LEU H 1 94 LEU QB 2.500 . 3.000 2.437 2.201 2.849 . 0 0 "[ . 1 . 2 .]" 1
119 1 94 LEU H 1 94 LEU QD 3.000 . 4.100 3.143 1.768 4.057 0.032 2 0 "[ . 1 . 2 .]" 1
120 1 1 MET HA 1 2 LEU H 2.500 . 3.000 2.696 2.186 3.273 0.273 3 0 "[ . 1 . 2 .]" 1
121 1 1 MET HA 1 2 LEU HG 4.000 . 5.000 4.117 3.504 5.023 0.023 3 0 "[ . 1 . 2 .]" 1
122 1 1 MET HA 1 2 LEU QD 4.000 . 5.000 4.224 3.616 5.006 0.006 3 0 "[ . 1 . 2 .]" 1
123 1 1 MET QB 1 2 LEU H 3.000 . 3.600 2.987 1.776 3.930 0.330 14 0 "[ . 1 . 2 .]" 1
124 1 1 MET QB 1 2 LEU QD 4.000 . 5.000 4.131 3.382 4.910 . 0 0 "[ . 1 . 2 .]" 1
125 1 1 MET QG 1 2 LEU H 4.000 . 5.000 3.593 2.112 4.496 . 0 0 "[ . 1 . 2 .]" 1
126 1 1 MET QG 1 2 LEU QD 4.000 . 5.000 4.631 2.647 5.137 0.137 13 0 "[ . 1 . 2 .]" 1
127 1 2 LEU H 1 3 VAL H 4.000 . 5.000 4.587 4.464 4.656 . 0 0 "[ . 1 . 2 .]" 1
128 1 2 LEU HA 1 3 VAL H 2.500 . 3.000 2.264 2.211 2.389 . 0 0 "[ . 1 . 2 .]" 1
129 1 2 LEU HA 1 3 VAL HA 4.000 . 5.000 4.505 4.463 4.527 . 0 0 "[ . 1 . 2 .]" 1
130 1 2 LEU HA 1 3 VAL QG 4.000 . 5.000 3.129 3.055 3.176 . 0 0 "[ . 1 . 2 .]" 1
131 1 2 LEU HB3 1 3 VAL H 2.500 . 3.000 2.958 2.628 3.087 0.087 23 0 "[ . 1 . 2 .]" 1
132 1 2 LEU QD 1 3 VAL H 2.500 . 3.500 3.485 3.266 3.593 0.093 7 0 "[ . 1 . 2 .]" 1
133 1 3 VAL HA 1 4 LYS H 2.500 . 3.000 2.351 2.237 2.496 . 0 0 "[ . 1 . 2 .]" 1
134 1 3 VAL HB 1 4 LYS H 2.500 . 3.000 2.784 2.578 3.221 0.221 12 0 "[ . 1 . 2 .]" 1
135 1 4 LYS H 1 5 PRO QD 4.000 . 5.000 4.382 4.058 4.499 . 0 0 "[ . 1 . 2 .]" 1
136 1 4 LYS HA 1 5 PRO QB 4.000 . 5.000 4.606 4.497 4.819 . 0 0 "[ . 1 . 2 .]" 1
137 1 4 LYS HA 1 5 PRO QG 4.000 . 5.000 4.033 3.709 4.103 . 0 0 "[ . 1 . 2 .]" 1
138 1 4 LYS HA 1 5 PRO QD 2.500 . 2.700 2.107 2.072 2.142 . 0 0 "[ . 1 . 2 .]" 1
139 1 4 LYS QB 1 5 PRO QD 4.000 . 5.000 2.747 2.167 3.770 . 0 0 "[ . 1 . 2 .]" 1
140 1 4 LYS QG 1 5 PRO QD 4.000 . 5.000 3.649 2.197 4.378 . 0 0 "[ . 1 . 2 .]" 1
141 1 5 PRO HA 1 6 PRO QG 4.000 . 5.000 4.074 3.998 4.127 . 0 0 "[ . 1 . 2 .]" 1
142 1 5 PRO HA 1 6 PRO QD 2.500 . 2.700 2.126 2.066 2.169 . 0 0 "[ . 1 . 2 .]" 1
143 1 5 PRO QB 1 6 PRO QD 4.000 . 5.000 2.524 2.220 3.404 . 0 0 "[ . 1 . 2 .]" 1
144 1 6 PRO HA 1 7 TYR H 3.000 . 3.600 3.332 3.022 3.525 . 0 0 "[ . 1 . 2 .]" 1
145 1 6 PRO QB 1 7 TYR H 4.000 . 5.000 3.618 2.907 3.998 . 0 0 "[ . 1 . 2 .]" 1
146 1 6 PRO QD 1 7 TYR H 4.000 . 5.000 3.100 2.687 3.530 . 0 0 "[ . 1 . 2 .]" 1
147 1 6 PRO QD 1 7 TYR QD 4.000 . 5.000 3.924 3.057 4.759 . 0 0 "[ . 1 . 2 .]" 1
148 1 6 PRO QD 1 7 TYR QE 4.000 . 5.000 3.689 2.974 4.623 . 0 0 "[ . 1 . 2 .]" 1
149 1 7 TYR H 1 8 SER H 4.000 . 5.000 4.602 4.468 4.663 . 0 0 "[ . 1 . 2 .]" 1
150 1 7 TYR HA 1 8 SER H 2.500 . 3.000 2.228 2.180 2.272 . 0 0 "[ . 1 . 2 .]" 1
151 1 7 TYR HB3 1 8 SER H 4.000 . 5.000 3.140 2.973 3.356 . 0 0 "[ . 1 . 2 .]" 1
152 1 7 TYR HB2 1 8 SER H 4.000 . 5.000 3.973 3.843 4.089 . 0 0 "[ . 1 . 2 .]" 1
153 1 7 TYR QD 1 8 SER H 4.000 . 5.000 4.080 3.921 4.262 . 0 0 "[ . 1 . 2 .]" 1
154 1 8 SER QB 1 9 TYR H 4.000 . 5.000 2.792 2.219 3.415 . 0 0 "[ . 1 . 2 .]" 1
155 1 9 TYR H 1 10 ILE H 4.000 . 5.000 2.705 2.653 2.753 . 0 0 "[ . 1 . 2 .]" 1
156 1 9 TYR H 1 10 ILE QG 4.000 . 5.000 4.208 3.928 4.514 . 0 0 "[ . 1 . 2 .]" 1
157 1 9 TYR HB3 1 10 ILE H 4.000 . 5.000 3.607 3.491 3.754 . 0 0 "[ . 1 . 2 .]" 1
158 1 9 TYR HB2 1 10 ILE H 4.000 . 5.000 2.662 2.547 2.794 . 0 0 "[ . 1 . 2 .]" 1
159 1 9 TYR HB2 1 10 ILE MD 4.000 . 5.000 3.881 2.999 4.800 . 0 0 "[ . 1 . 2 .]" 1
160 1 10 ILE H 1 11 ALA MB 4.000 . 5.000 4.342 4.246 4.437 . 0 0 "[ . 1 . 2 .]" 1
161 1 10 ILE HA 1 11 ALA H 4.000 . 5.000 3.560 3.545 3.575 . 0 0 "[ . 1 . 2 .]" 1
162 1 10 ILE HB 1 11 ALA H 3.000 . 3.600 2.564 2.382 2.698 . 0 0 "[ . 1 . 2 .]" 1
163 1 10 ILE MG 1 11 ALA H 4.000 . 5.000 3.439 3.289 3.583 . 0 0 "[ . 1 . 2 .]" 1
164 1 10 ILE MG 1 11 ALA HA 4.000 . 5.000 3.494 3.322 3.739 . 0 0 "[ . 1 . 2 .]" 1
165 1 10 ILE MG 1 11 ALA MB 4.000 . 5.000 4.128 3.941 4.368 . 0 0 "[ . 1 . 2 .]" 1
166 1 10 ILE QG 1 11 ALA H 4.000 . 5.000 3.974 3.756 4.170 . 0 0 "[ . 1 . 2 .]" 1
167 1 11 ALA H 1 12 LEU H 4.000 . 5.000 2.747 2.659 2.828 . 0 0 "[ . 1 . 2 .]" 1
168 1 11 ALA HA 1 12 LEU H 4.000 . 5.000 3.575 3.557 3.593 . 0 0 "[ . 1 . 2 .]" 1
169 1 11 ALA MB 1 12 LEU H 2.500 . 3.500 2.490 2.370 2.589 . 0 0 "[ . 1 . 2 .]" 1
170 1 11 ALA MB 1 12 LEU QD 4.000 . 5.000 3.618 3.455 3.711 . 0 0 "[ . 1 . 2 .]" 1
171 1 12 LEU H 1 13 ILE H 4.000 . 5.000 2.708 2.667 2.768 . 0 0 "[ . 1 . 2 .]" 1
172 1 12 LEU HB2 1 13 ILE H 4.000 . 5.000 2.607 2.499 2.692 . 0 0 "[ . 1 . 2 .]" 1
173 1 13 ILE HB 1 14 THR H 4.000 . 5.000 2.532 2.330 2.616 . 0 0 "[ . 1 . 2 .]" 1
174 1 13 ILE MG 1 14 THR H 4.000 . 5.000 3.346 3.253 3.481 . 0 0 "[ . 1 . 2 .]" 1
175 1 13 ILE MG 1 14 THR HA 4.000 . 5.000 3.396 3.307 3.520 . 0 0 "[ . 1 . 2 .]" 1
176 1 13 ILE MG 1 14 THR HB 6.000 . 8.000 5.156 5.028 5.287 . 0 0 "[ . 1 . 2 .]" 1
177 1 13 ILE MD 1 14 THR H 4.000 . 5.000 4.375 4.173 4.454 . 0 0 "[ . 1 . 2 .]" 1
178 1 14 THR H 1 15 MET H 4.000 . 5.000 2.717 2.677 2.811 . 0 0 "[ . 1 . 2 .]" 1
179 1 14 THR MG 1 15 MET HA 4.000 . 5.000 3.505 3.437 3.555 . 0 0 "[ . 1 . 2 .]" 1
180 1 15 MET H 1 16 ALA H 3.000 . 3.900 2.599 2.545 2.673 . 0 0 "[ . 1 . 2 .]" 1
181 1 15 MET H 1 16 ALA MB 3.000 . 4.100 4.234 4.175 4.286 0.186 21 0 "[ . 1 . 2 .]" 1
182 1 15 MET HA 1 16 ALA H 4.000 . 5.000 3.539 3.512 3.552 . 0 0 "[ . 1 . 2 .]" 1
183 1 15 MET HB3 1 16 ALA H 3.000 . 3.600 3.599 3.557 3.684 0.084 10 0 "[ . 1 . 2 .]" 1
184 1 15 MET HB3 1 16 ALA MB 4.000 . 5.000 4.821 4.728 4.892 . 0 0 "[ . 1 . 2 .]" 1
185 1 15 MET HB2 1 16 ALA H 4.000 . 5.000 2.679 2.606 2.814 . 0 0 "[ . 1 . 2 .]" 1
186 1 15 MET HB2 1 16 ALA MB 4.000 . 5.000 4.150 3.997 4.268 . 0 0 "[ . 1 . 2 .]" 1
187 1 15 MET QG 1 16 ALA H 4.000 . 5.000 4.135 4.090 4.190 . 0 0 "[ . 1 . 2 .]" 1
188 1 16 ALA H 1 17 ILE H 4.000 . 5.000 2.818 2.767 2.961 . 0 0 "[ . 1 . 2 .]" 1
189 1 16 ALA H 1 17 ILE QG 4.000 . 5.000 4.224 4.156 4.325 . 0 0 "[ . 1 . 2 .]" 1
190 1 16 ALA HA 1 17 ILE H 4.000 . 5.000 3.574 3.555 3.587 . 0 0 "[ . 1 . 2 .]" 1
191 1 16 ALA MB 1 17 ILE H 3.000 . 4.100 2.431 2.220 2.592 . 0 0 "[ . 1 . 2 .]" 1
192 1 16 ALA MB 1 17 ILE QG 4.000 . 5.000 3.019 2.768 3.177 . 0 0 "[ . 1 . 2 .]" 1
193 1 17 ILE H 1 18 GLN H 4.000 . 5.000 2.737 2.645 2.800 . 0 0 "[ . 1 . 2 .]" 1
194 1 17 ILE HA 1 18 GLN H 4.000 . 5.000 3.550 3.535 3.566 . 0 0 "[ . 1 . 2 .]" 1
195 1 17 ILE HB 1 18 GLN QG 4.000 . 5.000 3.084 2.920 3.287 . 0 0 "[ . 1 . 2 .]" 1
196 1 17 ILE MG 1 18 GLN H 4.000 . 5.000 3.324 3.202 3.531 . 0 0 "[ . 1 . 2 .]" 1
197 1 17 ILE MG 1 18 GLN HA 4.000 . 5.000 3.479 3.380 3.609 . 0 0 "[ . 1 . 2 .]" 1
198 1 17 ILE MG 1 18 GLN QG 3.000 . 3.800 3.510 3.179 3.831 0.031 6 0 "[ . 1 . 2 .]" 1
199 1 17 ILE MD 1 18 GLN H 6.000 . 8.000 4.146 4.065 4.321 . 0 0 "[ . 1 . 2 .]" 1
200 1 17 ILE QG 1 18 GLN H 3.000 . 3.600 3.841 3.787 3.888 0.288 1 0 "[ . 1 . 2 .]" 1
201 1 18 GLN H 1 19 ASN H 4.000 . 5.000 2.707 2.613 2.858 . 0 0 "[ . 1 . 2 .]" 1
202 1 18 GLN HA 1 19 ASN H 4.000 . 5.000 3.556 3.541 3.590 . 0 0 "[ . 1 . 2 .]" 1
203 1 18 GLN HB2 1 19 ASN H 4.000 . 5.000 2.635 2.508 2.726 . 0 0 "[ . 1 . 2 .]" 1
204 1 18 GLN QG 1 19 ASN QD 4.000 . 5.000 4.945 4.553 5.192 0.192 1 0 "[ . 1 . 2 .]" 1
205 1 19 ASN H 1 20 ALA H 2.500 . 3.300 2.577 2.482 2.661 . 0 0 "[ . 1 . 2 .]" 1
206 1 19 ASN H 1 20 ALA MB 4.000 . 5.000 4.176 4.064 4.325 . 0 0 "[ . 1 . 2 .]" 1
207 1 19 ASN HA 1 20 ALA H 4.000 . 5.000 3.339 3.139 3.518 . 0 0 "[ . 1 . 2 .]" 1
208 1 19 ASN QB 1 20 ALA H 4.000 . 5.000 3.343 2.735 3.985 . 0 0 "[ . 1 . 2 .]" 1
209 1 20 ALA H 1 21 PRO QD 4.000 . 5.000 4.409 4.260 4.480 . 0 0 "[ . 1 . 2 .]" 1
210 1 20 ALA HA 1 21 PRO QG 4.000 . 5.000 4.037 4.015 4.070 . 0 0 "[ . 1 . 2 .]" 1
211 1 20 ALA HA 1 21 PRO QD 2.500 . 2.700 2.108 2.078 2.151 . 0 0 "[ . 1 . 2 .]" 1
212 1 20 ALA MB 1 21 PRO QG 4.000 . 5.000 4.122 3.519 4.726 . 0 0 "[ . 1 . 2 .]" 1
213 1 20 ALA MB 1 21 PRO QD 3.000 . 3.800 2.594 2.236 3.127 . 0 0 "[ . 1 . 2 .]" 1
214 1 23 LYS H 1 24 LYS H 4.000 . 5.000 2.625 1.807 2.788 . 0 0 "[ . 1 . 2 .]" 1
215 1 23 LYS HA 1 24 LYS H 4.000 . 5.000 3.529 3.449 3.566 . 0 0 "[ . 1 . 2 .]" 1
216 1 23 LYS QG 1 24 LYS H 4.000 . 5.000 4.046 3.640 4.261 . 0 0 "[ . 1 . 2 .]" 1
217 1 24 LYS HA 1 25 ILE H 4.000 . 5.000 2.258 2.172 2.926 . 0 0 "[ . 1 . 2 .]" 1
218 1 24 LYS HA 1 25 ILE MG 4.000 . 5.000 3.752 3.592 4.006 . 0 0 "[ . 1 . 2 .]" 1
219 1 24 LYS QB 1 25 ILE H 4.000 . 5.000 3.448 3.030 3.883 . 0 0 "[ . 1 . 2 .]" 1
220 1 25 ILE HA 1 26 THR H 4.000 . 5.000 2.304 2.233 2.375 . 0 0 "[ . 1 . 2 .]" 1
221 1 25 ILE QG 1 26 THR H 4.000 . 5.000 2.193 1.962 2.498 . 0 0 "[ . 1 . 2 .]" 1
222 1 26 THR HA 1 27 LEU H 6.000 . 8.000 2.366 2.281 2.437 . 0 0 "[ . 1 . 2 .]" 1
223 1 26 THR MG 1 27 LEU H 4.000 . 5.000 3.575 1.793 3.986 0.007 12 0 "[ . 1 . 2 .]" 1
224 1 27 LEU H 1 28 ASN H 4.000 . 5.000 2.725 2.581 2.804 . 0 0 "[ . 1 . 2 .]" 1
225 1 27 LEU HA 1 28 ASN H 4.000 . 5.000 3.550 3.529 3.572 . 0 0 "[ . 1 . 2 .]" 1
226 1 27 LEU HB3 1 28 ASN H 3.000 . 3.600 2.426 2.218 2.617 . 0 0 "[ . 1 . 2 .]" 1
227 1 27 LEU HB2 1 28 ASN H 4.000 . 5.000 3.750 3.509 3.891 . 0 0 "[ . 1 . 2 .]" 1
228 1 27 LEU HG 1 28 ASN H 3.000 . 3.600 3.718 3.495 3.901 0.301 25 0 "[ . 1 . 2 .]" 1
229 1 27 LEU QD 1 28 ASN H 4.000 . 5.000 3.833 3.652 3.920 . 0 0 "[ . 1 . 2 .]" 1
230 1 27 LEU QD 1 28 ASN QB 4.000 . 5.000 4.999 4.775 5.077 0.077 20 0 "[ . 1 . 2 .]" 1
231 1 28 ASN QB 1 29 GLY H 3.000 . 3.600 2.573 2.510 2.621 . 0 0 "[ . 1 . 2 .]" 1
232 1 29 GLY HA3 1 30 ILE H 4.000 . 5.000 2.869 2.847 2.898 . 0 0 "[ . 1 . 2 .]" 1
233 1 29 GLY HA2 1 30 ILE H 4.000 . 5.000 3.562 3.539 3.579 . 0 0 "[ . 1 . 2 .]" 1
234 1 30 ILE H 1 31 TYR H 4.000 . 5.000 2.785 2.747 2.827 . 0 0 "[ . 1 . 2 .]" 1
235 1 30 ILE HB 1 31 TYR H 3.000 . 3.600 2.651 2.534 2.750 . 0 0 "[ . 1 . 2 .]" 1
236 1 30 ILE MG 1 31 TYR H 3.000 . 4.100 3.338 3.239 3.444 . 0 0 "[ . 1 . 2 .]" 1
237 1 30 ILE MG 1 31 TYR HA 4.000 . 5.000 3.345 3.248 3.444 . 0 0 "[ . 1 . 2 .]" 1
238 1 30 ILE MD 1 31 TYR H 4.000 . 5.000 4.505 4.394 4.636 . 0 0 "[ . 1 . 2 .]" 1
239 1 31 TYR H 1 32 GLN H 4.000 . 5.000 2.775 2.708 2.911 . 0 0 "[ . 1 . 2 .]" 1
240 1 31 TYR H 1 32 GLN QB 4.000 . 5.000 4.613 4.439 4.850 . 0 0 "[ . 1 . 2 .]" 1
241 1 31 TYR HB3 1 32 GLN H 4.000 . 5.000 3.448 3.225 3.707 . 0 0 "[ . 1 . 2 .]" 1
242 1 31 TYR HB3 1 32 GLN QB 4.000 . 5.000 5.027 4.731 5.270 0.270 10 0 "[ . 1 . 2 .]" 1
243 1 31 TYR HB2 1 32 GLN H 4.000 . 5.000 2.673 2.513 2.789 . 0 0 "[ . 1 . 2 .]" 1
244 1 31 TYR HB2 1 32 GLN QB 4.000 . 5.000 4.473 3.994 4.848 . 0 0 "[ . 1 . 2 .]" 1
245 1 31 TYR QD 1 32 GLN H 4.000 . 5.000 4.396 4.123 4.526 . 0 0 "[ . 1 . 2 .]" 1
246 1 32 GLN H 1 33 PHE H 4.000 . 5.000 2.741 2.643 2.818 . 0 0 "[ . 1 . 2 .]" 1
247 1 32 GLN H 1 33 PHE HA 6.000 . 8.000 5.375 5.296 5.430 . 0 0 "[ . 1 . 2 .]" 1
248 1 32 GLN HA 1 33 PHE H 4.000 . 5.000 3.549 3.528 3.570 . 0 0 "[ . 1 . 2 .]" 1
249 1 32 GLN QB 1 33 PHE H 2.500 . 3.000 2.566 2.466 2.660 . 0 0 "[ . 1 . 2 .]" 1
250 1 33 PHE H 1 34 ILE H 4.000 . 5.000 2.834 2.738 2.890 . 0 0 "[ . 1 . 2 .]" 1
251 1 33 PHE HA 1 34 ILE H 4.000 . 5.000 3.582 3.560 3.595 . 0 0 "[ . 1 . 2 .]" 1
252 1 33 PHE HB3 1 34 ILE H 4.000 . 5.000 2.455 2.348 2.631 . 0 0 "[ . 1 . 2 .]" 1
253 1 33 PHE HB2 1 34 ILE H 4.000 . 5.000 3.819 3.707 3.932 . 0 0 "[ . 1 . 2 .]" 1
254 1 33 PHE QD 1 34 ILE H 4.000 . 5.000 3.175 2.956 3.574 . 0 0 "[ . 1 . 2 .]" 1
255 1 33 PHE QD 1 34 ILE HA 3.000 . 3.300 2.987 2.746 3.242 . 0 0 "[ . 1 . 2 .]" 1
256 1 33 PHE QD 1 34 ILE MG 4.000 . 5.000 4.604 4.368 4.811 . 0 0 "[ . 1 . 2 .]" 1
257 1 33 PHE QE 1 34 ILE H 6.000 . 8.000 5.382 5.173 5.762 . 0 0 "[ . 1 . 2 .]" 1
258 1 34 ILE H 1 35 MET H 4.000 . 5.000 2.874 2.719 2.960 . 0 0 "[ . 1 . 2 .]" 1
259 1 34 ILE HB 1 35 MET QG 4.000 . 5.000 3.452 2.918 4.391 . 0 0 "[ . 1 . 2 .]" 1
260 1 34 ILE MG 1 35 MET H 4.000 . 5.000 3.143 2.934 3.448 . 0 0 "[ . 1 . 2 .]" 1
261 1 34 ILE MG 1 35 MET HA 4.000 . 5.000 3.247 3.097 3.471 . 0 0 "[ . 1 . 2 .]" 1
262 1 34 ILE MG 1 35 MET ME 4.000 . 5.000 4.688 4.194 4.941 . 0 0 "[ . 1 . 2 .]" 1
263 1 34 ILE MG 1 35 MET QG 4.000 . 5.000 3.303 3.060 3.563 . 0 0 "[ . 1 . 2 .]" 1
264 1 34 ILE MD 1 35 MET ME 4.000 . 5.000 5.026 4.728 5.233 0.233 23 0 "[ . 1 . 2 .]" 1
265 1 35 MET H 1 36 ASP H 4.000 . 5.000 2.771 2.673 2.855 . 0 0 "[ . 1 . 2 .]" 1
266 1 35 MET HA 1 36 ASP H 4.000 . 5.000 3.566 3.550 3.585 . 0 0 "[ . 1 . 2 .]" 1
267 1 35 MET QB 1 36 ASP H 4.000 . 5.000 2.607 2.432 2.664 . 0 0 "[ . 1 . 2 .]" 1
268 1 35 MET QG 1 36 ASP H 4.000 . 5.000 4.186 4.060 4.517 . 0 0 "[ . 1 . 2 .]" 1
269 1 36 ASP H 1 37 ARG H 3.000 . 3.900 2.732 2.608 2.910 . 0 0 "[ . 1 . 2 .]" 1
270 1 36 ASP H 1 37 ARG HA 6.000 . 8.000 5.365 5.270 5.480 . 0 0 "[ . 1 . 2 .]" 1
271 1 36 ASP H 1 37 ARG QB 6.000 . 8.000 4.631 4.373 4.954 . 0 0 "[ . 1 . 2 .]" 1
272 1 36 ASP HA 1 37 ARG H 4.000 . 5.000 3.576 3.544 3.603 . 0 0 "[ . 1 . 2 .]" 1
273 1 36 ASP HB3 1 37 ARG H 4.000 . 5.000 3.477 3.270 3.589 . 0 0 "[ . 1 . 2 .]" 1
274 1 36 ASP HB2 1 37 ARG H 3.000 . 3.600 2.576 2.403 2.706 . 0 0 "[ . 1 . 2 .]" 1
275 1 37 ARG H 1 38 PHE H 2.500 . 3.300 2.712 2.568 2.926 . 0 0 "[ . 1 . 2 .]" 1
276 1 37 ARG HA 1 38 PHE H 4.000 . 5.000 3.566 3.489 3.604 . 0 0 "[ . 1 . 2 .]" 1
277 1 37 ARG QB 1 38 PHE H 4.000 . 5.000 2.449 1.957 2.973 . 0 0 "[ . 1 . 2 .]" 1
278 1 37 ARG QB 1 38 PHE QD 3.000 . 3.300 2.650 2.248 3.000 . 0 0 "[ . 1 . 2 .]" 1
279 1 38 PHE HA 1 39 PRO QG 4.000 . 5.000 4.044 4.000 4.143 . 0 0 "[ . 1 . 2 .]" 1
280 1 38 PHE HA 1 39 PRO QD 2.500 . 2.700 2.105 2.065 2.183 . 0 0 "[ . 1 . 2 .]" 1
281 1 38 PHE HB3 1 39 PRO QD 6.000 . 8.000 3.555 2.971 4.083 . 0 0 "[ . 1 . 2 .]" 1
282 1 38 PHE QD 1 39 PRO QD 4.000 . 5.000 3.816 3.012 4.276 . 0 0 "[ . 1 . 2 .]" 1
283 1 39 PRO HA 1 40 PHE H 4.000 . 5.000 3.386 3.331 3.480 . 0 0 "[ . 1 . 2 .]" 1
284 1 39 PRO QB 1 40 PHE H 3.000 . 3.600 3.524 3.212 3.684 0.084 4 0 "[ . 1 . 2 .]" 1
285 1 39 PRO QD 1 40 PHE H 4.000 . 5.000 2.741 2.497 3.240 . 0 0 "[ . 1 . 2 .]" 1
286 1 40 PHE H 1 41 TYR H 4.000 . 5.000 2.706 2.589 2.816 . 0 0 "[ . 1 . 2 .]" 1
287 1 40 PHE HA 1 41 TYR H 4.000 . 5.000 3.539 3.498 3.578 . 0 0 "[ . 1 . 2 .]" 1
288 1 40 PHE QB 1 41 TYR H 4.000 . 5.000 2.649 2.459 2.844 . 0 0 "[ . 1 . 2 .]" 1
289 1 40 PHE QB 1 41 TYR QD 4.000 . 5.000 3.182 2.892 3.726 . 0 0 "[ . 1 . 2 .]" 1
290 1 40 PHE QD 1 41 TYR H 4.000 . 5.000 3.496 3.088 3.982 . 0 0 "[ . 1 . 2 .]" 1
291 1 40 PHE QD 1 41 TYR QD 4.000 . 5.000 3.283 2.913 3.752 . 0 0 "[ . 1 . 2 .]" 1
292 1 40 PHE QD 1 41 TYR QE 2.500 . 2.700 2.865 2.785 2.966 0.266 15 0 "[ . 1 . 2 .]" 1
293 1 40 PHE QE 1 41 TYR QE 4.000 . 5.000 3.791 3.025 4.367 . 0 0 "[ . 1 . 2 .]" 1
294 1 41 TYR H 1 42 ARG H 3.000 . 3.900 2.647 2.573 2.729 . 0 0 "[ . 1 . 2 .]" 1
295 1 41 TYR H 1 42 ARG QG 4.000 . 5.000 4.194 3.826 4.530 . 0 0 "[ . 1 . 2 .]" 1
296 1 41 TYR HA 1 42 ARG H 4.000 . 5.000 3.498 3.410 3.533 . 0 0 "[ . 1 . 2 .]" 1
297 1 41 TYR QB 1 42 ARG H 4.000 . 5.000 2.937 2.773 3.148 . 0 0 "[ . 1 . 2 .]" 1
298 1 42 ARG H 1 43 GLU H 3.000 . 3.900 2.730 2.662 2.794 . 0 0 "[ . 1 . 2 .]" 1
299 1 42 ARG HA 1 43 GLU H 4.000 . 5.000 3.555 3.499 3.572 . 0 0 "[ . 1 . 2 .]" 1
300 1 43 GLU H 1 44 ASN H 4.000 . 5.000 2.575 2.374 2.692 . 0 0 "[ . 1 . 2 .]" 1
301 1 43 GLU HA 1 44 ASN H 2.500 . 3.000 3.405 3.184 3.505 0.505 8 1 "[ . + 1 . 2 .]" 1
302 1 43 GLU QB 1 44 ASN H 3.000 . 3.600 2.877 2.454 3.829 0.229 16 0 "[ . 1 . 2 .]" 1
303 1 43 GLU QG 1 44 ASN H 4.000 . 5.000 4.077 2.881 4.674 . 0 0 "[ . 1 . 2 .]" 1
304 1 44 ASN H 1 45 LYS H 4.000 . 5.000 4.114 3.711 4.374 . 0 0 "[ . 1 . 2 .]" 1
305 1 44 ASN HA 1 45 LYS H 2.500 . 3.000 2.232 2.159 2.458 . 0 0 "[ . 1 . 2 .]" 1
306 1 44 ASN QB 1 45 LYS H 4.000 . 5.000 3.741 3.382 4.001 . 0 0 "[ . 1 . 2 .]" 1
307 1 45 LYS H 1 46 GLN H 2.500 . 3.300 2.356 2.024 2.919 . 0 0 "[ . 1 . 2 .]" 1
308 1 45 LYS H 1 46 GLN QB 4.000 . 5.000 4.354 3.881 4.619 . 0 0 "[ . 1 . 2 .]" 1
309 1 45 LYS H 1 46 GLN QG 4.000 . 5.000 4.088 2.976 4.811 . 0 0 "[ . 1 . 2 .]" 1
310 1 45 LYS HA 1 46 GLN H 4.000 . 5.000 3.454 3.128 3.589 . 0 0 "[ . 1 . 2 .]" 1
311 1 45 LYS HA 1 46 GLN HA 4.000 . 5.000 4.730 4.657 4.936 . 0 0 "[ . 1 . 2 .]" 1
312 1 45 LYS HB3 1 46 GLN H 4.000 . 5.000 3.702 2.747 4.399 . 0 0 "[ . 1 . 2 .]" 1
313 1 45 LYS HB2 1 46 GLN H 3.000 . 3.600 2.823 1.890 3.794 0.194 16 0 "[ . 1 . 2 .]" 1
314 1 45 LYS QG 1 46 GLN H 4.000 . 5.000 4.125 3.854 4.424 . 0 0 "[ . 1 . 2 .]" 1
315 1 46 GLN HA 1 47 GLY H 3.000 . 3.600 2.362 2.190 3.309 . 0 0 "[ . 1 . 2 .]" 1
316 1 46 GLN QB 1 47 GLY H 2.500 . 3.000 2.680 1.733 3.047 0.067 11 0 "[ . 1 . 2 .]" 1
317 1 46 GLN QG 1 47 GLY H 4.000 . 5.000 3.917 2.518 4.470 . 0 0 "[ . 1 . 2 .]" 1
318 1 47 GLY H 1 48 TRP H 3.000 . 3.900 3.326 2.555 3.722 . 0 0 "[ . 1 . 2 .]" 1
319 1 47 GLY H 1 48 TRP HD1 4.000 . 5.000 4.990 4.436 5.150 0.150 6 0 "[ . 1 . 2 .]" 1
320 1 47 GLY QA 1 48 TRP H 4.000 . 5.000 2.635 2.399 2.972 . 0 0 "[ . 1 . 2 .]" 1
321 1 48 TRP H 1 49 GLN H 3.000 . 3.900 2.537 2.338 2.740 . 0 0 "[ . 1 . 2 .]" 1
322 1 48 TRP HE3 1 49 GLN HA 4.000 . 5.000 3.731 3.261 4.221 . 0 0 "[ . 1 . 2 .]" 1
323 1 48 TRP HE3 1 49 GLN QG 6.000 . 8.000 5.251 3.901 6.359 . 0 0 "[ . 1 . 2 .]" 1
324 1 49 GLN HA 1 50 ASN H 4.000 . 5.000 3.583 3.554 3.600 . 0 0 "[ . 1 . 2 .]" 1
325 1 49 GLN QB 1 50 ASN H 4.000 . 5.000 2.363 2.073 2.613 . 0 0 "[ . 1 . 2 .]" 1
326 1 49 GLN QG 1 50 ASN H 4.000 . 5.000 3.606 3.217 4.186 . 0 0 "[ . 1 . 2 .]" 1
327 1 50 ASN H 1 51 SER H 2.500 . 3.300 2.632 2.527 2.767 . 0 0 "[ . 1 . 2 .]" 1
328 1 50 ASN HA 1 51 SER H 4.000 . 5.000 3.542 3.497 3.567 . 0 0 "[ . 1 . 2 .]" 1
329 1 50 ASN QB 1 51 SER H 3.000 . 3.600 2.705 2.574 2.890 . 0 0 "[ . 1 . 2 .]" 1
330 1 51 SER H 1 52 ILE H 4.000 . 5.000 2.793 2.630 2.894 . 0 0 "[ . 1 . 2 .]" 1
331 1 51 SER H 1 52 ILE MD 6.000 . 8.000 5.645 5.151 5.929 . 0 0 "[ . 1 . 2 .]" 1
332 1 51 SER HA 1 52 ILE H 6.000 . 8.000 3.550 3.483 3.581 . 0 0 "[ . 1 . 2 .]" 1
333 1 51 SER QB 1 52 ILE H 4.000 . 5.000 2.924 2.526 3.636 . 0 0 "[ . 1 . 2 .]" 1
334 1 52 ILE HB 1 53 ARG H 4.000 . 5.000 2.411 2.054 2.780 . 0 0 "[ . 1 . 2 .]" 1
335 1 52 ILE MG 1 53 ARG H 4.000 . 5.000 3.063 2.522 3.389 . 0 0 "[ . 1 . 2 .]" 1
336 1 52 ILE MG 1 53 ARG HA 4.000 . 5.000 3.256 3.050 3.421 . 0 0 "[ . 1 . 2 .]" 1
337 1 53 ARG H 1 54 HIS H 4.000 . 5.000 2.644 2.420 2.812 . 0 0 "[ . 1 . 2 .]" 1
338 1 53 ARG HA 1 54 HIS H 4.000 . 5.000 3.549 3.504 3.590 . 0 0 "[ . 1 . 2 .]" 1
339 1 53 ARG QB 1 54 HIS H 3.000 . 3.600 2.876 2.348 3.622 0.022 5 0 "[ . 1 . 2 .]" 1
340 1 53 ARG QG 1 54 HIS H 4.000 . 5.000 3.268 2.183 4.258 . 0 0 "[ . 1 . 2 .]" 1
341 1 54 HIS H 1 55 ASN H 4.000 . 5.000 2.711 2.452 2.805 . 0 0 "[ . 1 . 2 .]" 1
342 1 54 HIS HA 1 55 ASN H 4.000 . 5.000 3.553 3.519 3.581 . 0 0 "[ . 1 . 2 .]" 1
343 1 54 HIS QB 1 55 ASN H 3.000 . 3.600 2.562 2.403 2.674 . 0 0 "[ . 1 . 2 .]" 1
344 1 55 ASN H 1 56 LEU H 4.000 . 5.000 2.661 2.575 2.766 . 0 0 "[ . 1 . 2 .]" 1
345 1 55 ASN QB 1 56 LEU H 4.000 . 5.000 2.753 2.522 3.708 . 0 0 "[ . 1 . 2 .]" 1
346 1 56 LEU H 1 57 SER H 4.000 . 5.000 2.841 2.623 3.659 . 0 0 "[ . 1 . 2 .]" 1
347 1 56 LEU HB3 1 57 SER HA 6.000 . 8.000 4.298 4.150 4.810 . 0 0 "[ . 1 . 2 .]" 1
348 1 56 LEU HB2 1 57 SER H 4.000 . 5.000 2.784 2.454 4.441 . 0 0 "[ . 1 . 2 .]" 1
349 1 57 SER H 1 58 LEU H 4.000 . 5.000 2.681 2.260 2.845 . 0 0 "[ . 1 . 2 .]" 1
350 1 57 SER QB 1 58 LEU H 3.000 . 3.600 2.803 2.296 3.419 . 0 0 "[ . 1 . 2 .]" 1
351 1 57 SER QB 1 58 LEU HG 4.000 . 5.000 4.016 3.170 5.168 0.168 22 0 "[ . 1 . 2 .]" 1
352 1 57 SER QB 1 58 LEU QB 6.000 . 8.000 4.576 3.740 5.186 . 0 0 "[ . 1 . 2 .]" 1
353 1 58 LEU H 1 59 ASN H 3.000 . 3.900 2.648 2.581 2.796 . 0 0 "[ . 1 . 2 .]" 1
354 1 58 LEU HA 1 59 ASN H 4.000 . 5.000 3.555 3.523 3.594 . 0 0 "[ . 1 . 2 .]" 1
355 1 58 LEU QB 1 59 ASN H 4.000 . 5.000 2.594 2.333 2.758 . 0 0 "[ . 1 . 2 .]" 1
356 1 58 LEU QB 1 59 ASN QD 4.000 . 5.000 3.953 2.403 4.994 . 0 0 "[ . 1 . 2 .]" 1
357 1 58 LEU QD 1 59 ASN H 6.000 . 8.000 3.962 3.292 4.190 . 0 0 "[ . 1 . 2 .]" 1
358 1 59 ASN H 1 60 GLU H 4.000 . 5.000 4.463 4.318 4.562 . 0 0 "[ . 1 . 2 .]" 1
359 1 59 ASN HA 1 60 GLU H 2.500 . 3.000 2.175 2.126 2.201 . 0 0 "[ . 1 . 2 .]" 1
360 1 59 ASN HA 1 60 GLU HA 4.000 . 5.000 4.465 4.436 4.498 . 0 0 "[ . 1 . 2 .]" 1
361 1 59 ASN HA 1 60 GLU QG 4.000 . 5.000 3.805 3.568 4.175 . 0 0 "[ . 1 . 2 .]" 1
362 1 59 ASN QB 1 60 GLU H 4.000 . 5.000 3.448 3.241 3.841 . 0 0 "[ . 1 . 2 .]" 1
363 1 60 GLU H 1 61 CYS H 4.000 . 5.000 2.378 2.272 2.555 . 0 0 "[ . 1 . 2 .]" 1
364 1 60 GLU HB3 1 61 CYS H 4.000 . 5.000 4.193 3.643 4.372 . 0 0 "[ . 1 . 2 .]" 1
365 1 60 GLU HB2 1 61 CYS H 4.000 . 5.000 3.382 2.698 3.732 . 0 0 "[ . 1 . 2 .]" 1
366 1 60 GLU QG 1 61 CYS H 4.000 . 5.000 4.243 4.119 4.440 . 0 0 "[ . 1 . 2 .]" 1
367 1 62 PHE H 1 63 VAL H 6.000 . 8.000 4.625 4.542 4.655 . 0 0 "[ . 1 . 2 .]" 1
368 1 62 PHE H 1 63 VAL QG 4.000 . 5.000 4.691 4.247 5.039 0.039 18 0 "[ . 1 . 2 .]" 1
369 1 62 PHE HA 1 63 VAL H 4.000 . 5.000 2.290 2.178 2.399 . 0 0 "[ . 1 . 2 .]" 1
370 1 62 PHE HA 1 63 VAL QG 4.000 . 5.000 3.384 3.213 3.666 . 0 0 "[ . 1 . 2 .]" 1
371 1 62 PHE QB 1 63 VAL H 6.000 . 8.000 2.865 2.515 3.266 . 0 0 "[ . 1 . 2 .]" 1
372 1 62 PHE QD 1 63 VAL H 4.000 . 5.000 3.950 3.615 4.363 . 0 0 "[ . 1 . 2 .]" 1
373 1 63 VAL HA 1 64 LYS H 4.000 . 5.000 2.194 2.164 2.223 . 0 0 "[ . 1 . 2 .]" 1
374 1 63 VAL HB 1 64 LYS H 4.000 . 5.000 4.203 4.104 4.304 . 0 0 "[ . 1 . 2 .]" 1
375 1 63 VAL QG 1 64 LYS H 4.000 . 5.000 2.694 2.586 2.893 . 0 0 "[ . 1 . 2 .]" 1
376 1 64 LYS HA 1 65 VAL H 3.000 . 3.600 2.251 2.132 2.421 . 0 0 "[ . 1 . 2 .]" 1
377 1 64 LYS HA 1 65 VAL QG 4.000 . 5.000 3.300 3.001 3.792 . 0 0 "[ . 1 . 2 .]" 1
378 1 64 LYS QB 1 65 VAL HA 4.000 . 5.000 4.301 4.050 4.747 . 0 0 "[ . 1 . 2 .]" 1
379 1 65 VAL HA 1 66 PRO QD 2.500 . 2.700 2.124 2.069 2.244 . 0 0 "[ . 1 . 2 .]" 1
380 1 65 VAL HB 1 66 PRO QD 4.000 . 5.000 4.053 2.578 4.407 . 0 0 "[ . 1 . 2 .]" 1
381 1 65 VAL MG1 1 66 PRO QD 3.000 . 3.800 3.060 2.216 3.760 . 0 0 "[ . 1 . 2 .]" 1
382 1 66 PRO HA 1 67 ARG H 2.500 . 3.000 2.449 2.204 2.903 . 0 0 "[ . 1 . 2 .]" 1
383 1 66 PRO QB 1 67 ARG H 4.000 . 5.000 2.662 1.778 3.440 0.022 15 0 "[ . 1 . 2 .]" 1
384 1 67 ARG H 1 68 ASP H 4.000 . 5.000 4.528 3.606 4.677 . 0 0 "[ . 1 . 2 .]" 1
385 1 67 ARG HA 1 68 ASP H 2.500 . 3.000 2.490 2.243 3.358 0.358 13 0 "[ . 1 . 2 .]" 1
386 1 67 ARG HA 1 68 ASP HA 6.000 . 8.000 4.395 4.343 4.682 . 0 0 "[ . 1 . 2 .]" 1
387 1 67 ARG QB 1 68 ASP H 4.000 . 5.000 2.554 1.730 3.409 0.070 13 0 "[ . 1 . 2 .]" 1
388 1 67 ARG QB 1 68 ASP QB 4.000 . 5.000 4.198 3.650 4.819 . 0 0 "[ . 1 . 2 .]" 1
389 1 67 ARG QG 1 68 ASP H 4.000 . 5.000 3.526 1.955 4.151 . 0 0 "[ . 1 . 2 .]" 1
390 1 67 ARG QD 1 68 ASP H 4.000 . 5.000 4.597 3.678 5.103 0.103 17 0 "[ . 1 . 2 .]" 1
391 1 68 ASP HA 1 69 ASP H 2.500 . 3.000 2.385 2.234 2.694 . 0 0 "[ . 1 . 2 .]" 1
392 1 68 ASP QB 1 69 ASP H 2.500 . 3.000 2.789 2.354 3.158 0.158 7 0 "[ . 1 . 2 .]" 1
393 1 69 ASP H 1 70 LYS H 3.000 . 3.900 2.611 2.419 2.769 . 0 0 "[ . 1 . 2 .]" 1
394 1 69 ASP HA 1 70 LYS H 3.000 . 3.600 3.481 3.336 3.566 . 0 0 "[ . 1 . 2 .]" 1
395 1 69 ASP QB 1 70 LYS H 3.000 . 3.600 2.890 2.580 3.320 . 0 0 "[ . 1 . 2 .]" 1
396 1 70 LYS H 1 71 LYS H 2.500 . 3.300 2.788 2.436 3.511 0.211 10 0 "[ . 1 . 2 .]" 1
397 1 70 LYS HA 1 71 LYS H 3.000 . 3.600 3.404 2.599 3.580 . 0 0 "[ . 1 . 2 .]" 1
398 1 70 LYS QB 1 71 LYS H 4.000 . 5.000 2.895 2.473 3.903 . 0 0 "[ . 1 . 2 .]" 1
399 1 71 LYS H 1 72 PRO QD 4.000 . 5.000 3.853 3.029 4.491 . 0 0 "[ . 1 . 2 .]" 1
400 1 71 LYS HA 1 72 PRO QG 4.000 . 5.000 4.060 4.010 4.126 . 0 0 "[ . 1 . 2 .]" 1
401 1 71 LYS HA 1 72 PRO QD 2.500 . 2.700 2.127 2.075 2.200 . 0 0 "[ . 1 . 2 .]" 1
402 1 72 PRO HA 1 73 GLY H 2.500 . 3.000 2.780 2.200 3.375 0.375 24 0 "[ . 1 . 2 .]" 1
403 1 72 PRO QB 1 73 GLY H 3.000 . 3.600 3.022 1.764 3.842 0.242 22 0 "[ . 1 . 2 .]" 1
404 1 72 PRO QD 1 73 GLY H 4.000 . 5.000 4.094 2.544 5.027 0.027 13 0 "[ . 1 . 2 .]" 1
405 1 73 GLY H 1 74 LYS H 4.000 . 5.000 3.530 2.065 4.681 . 0 0 "[ . 1 . 2 .]" 1
406 1 73 GLY QA 1 74 LYS H 2.500 . 3.000 2.435 2.134 2.911 . 0 0 "[ . 1 . 2 .]" 1
407 1 73 GLY QA 1 74 LYS HA 4.000 . 5.000 4.053 3.993 4.224 . 0 0 "[ . 1 . 2 .]" 1
408 1 74 LYS H 1 75 GLY H 4.000 . 5.000 4.054 2.488 4.674 . 0 0 "[ . 1 . 2 .]" 1
409 1 74 LYS HA 1 75 GLY H 2.500 . 3.000 2.604 2.152 3.480 0.480 2 0 "[ . 1 . 2 .]" 1
410 1 74 LYS QB 1 75 GLY H 4.000 . 5.000 2.787 1.755 3.662 0.045 3 0 "[ . 1 . 2 .]" 1
411 1 74 LYS QG 1 75 GLY H 4.000 . 5.000 4.025 3.662 4.868 . 0 0 "[ . 1 . 2 .]" 1
412 1 74 LYS QD 1 75 GLY H 4.000 . 5.000 4.739 3.596 5.208 0.208 21 0 "[ . 1 . 2 .]" 1
413 1 75 GLY QA 1 76 SER H 2.500 . 3.000 2.356 2.140 2.962 . 0 0 "[ . 1 . 2 .]" 1
414 1 76 SER HA 1 77 TYR H 4.000 . 5.000 2.293 2.170 2.493 . 0 0 "[ . 1 . 2 .]" 1
415 1 76 SER HA 1 77 TYR QD 4.000 . 5.000 4.140 2.930 5.020 0.020 20 0 "[ . 1 . 2 .]" 1
416 1 76 SER QB 1 77 TYR QB 6.000 . 8.000 4.858 4.129 5.478 . 0 0 "[ . 1 . 2 .]" 1
417 1 77 TYR QB 1 78 TRP H 4.000 . 5.000 2.651 2.255 3.151 . 0 0 "[ . 1 . 2 .]" 1
418 1 77 TYR QD 1 78 TRP H 4.000 . 5.000 3.897 2.713 4.323 . 0 0 "[ . 1 . 2 .]" 1
419 1 78 TRP HA 1 79 THR H 3.000 . 3.600 2.217 2.157 2.334 . 0 0 "[ . 1 . 2 .]" 1
420 1 78 TRP HA 1 79 THR MG 4.000 . 5.000 3.674 3.453 3.858 . 0 0 "[ . 1 . 2 .]" 1
421 1 78 TRP HB3 1 79 THR H 4.000 . 5.000 3.170 2.833 3.444 . 0 0 "[ . 1 . 2 .]" 1
422 1 78 TRP HB2 1 79 THR H 4.000 . 5.000 4.178 3.964 4.310 . 0 0 "[ . 1 . 2 .]" 1
423 1 79 THR HA 1 80 LEU H 4.000 . 5.000 2.403 2.317 2.521 . 0 0 "[ . 1 . 2 .]" 1
424 1 79 THR HA 1 80 LEU HA 6.000 . 8.000 4.400 4.356 4.464 . 0 0 "[ . 1 . 2 .]" 1
425 1 79 THR MG 1 80 LEU HA 4.000 . 5.000 4.136 3.891 4.450 . 0 0 "[ . 1 . 2 .]" 1
426 1 80 LEU HA 1 81 ASP H 2.500 . 3.000 2.580 2.155 3.493 0.493 5 0 "[ . 1 . 2 .]" 1
427 1 80 LEU HG 1 81 ASP H 4.000 . 5.000 4.768 4.125 5.082 0.082 14 0 "[ . 1 . 2 .]" 1
428 1 80 LEU QB 1 81 ASP H 4.000 . 5.000 2.680 1.706 3.911 0.094 25 0 "[ . 1 . 2 .]" 1
429 1 80 LEU QD 1 81 ASP H 3.000 . 4.100 3.477 3.007 4.101 0.001 14 0 "[ . 1 . 2 .]" 1
430 1 81 ASP HA 1 82 PRO HA 4.000 . 5.000 4.508 4.407 4.709 . 0 0 "[ . 1 . 2 .]" 1
431 1 81 ASP HA 1 82 PRO QG 4.000 . 5.000 4.027 3.822 4.163 . 0 0 "[ . 1 . 2 .]" 1
432 1 81 ASP HA 1 82 PRO QD 2.500 . 2.700 2.165 2.072 2.264 . 0 0 "[ . 1 . 2 .]" 1
433 1 81 ASP QB 1 82 PRO QD 4.000 . 5.000 2.756 1.990 3.832 . 0 0 "[ . 1 . 2 .]" 1
434 1 82 PRO HA 1 83 ASP H 3.000 . 3.600 3.029 2.521 3.550 . 0 0 "[ . 1 . 2 .]" 1
435 1 82 PRO QB 1 83 ASP H 2.500 . 3.000 1.866 1.735 2.604 0.065 25 0 "[ . 1 . 2 .]" 1
436 1 82 PRO QB 1 83 ASP HA 4.000 . 5.000 4.263 4.178 4.401 . 0 0 "[ . 1 . 2 .]" 1
437 1 83 ASP H 1 84 SER H 3.000 . 3.900 3.125 2.203 3.833 . 0 0 "[ . 1 . 2 .]" 1
438 1 83 ASP H 1 84 SER QB 4.000 . 5.000 4.885 4.382 5.400 0.400 21 0 "[ . 1 . 2 .]" 1
439 1 83 ASP HA 1 84 SER H 4.000 . 5.000 2.796 2.379 3.563 . 0 0 "[ . 1 . 2 .]" 1
440 1 83 ASP QB 1 84 SER H 4.000 . 5.000 3.802 2.412 4.049 . 0 0 "[ . 1 . 2 .]" 1
441 1 85 TYR H 1 86 ASN H 3.000 . 3.900 2.723 2.228 2.928 . 0 0 "[ . 1 . 2 .]" 1
442 1 85 TYR QB 1 86 ASN H 2.500 . 3.000 2.584 1.908 3.368 0.368 4 0 "[ . 1 . 2 .]" 1
443 1 85 TYR QD 1 86 ASN H 4.000 . 5.000 3.336 2.236 4.301 . 0 0 "[ . 1 . 2 .]" 1
444 1 85 TYR QD 1 86 ASN HA 4.000 . 5.000 4.098 2.766 5.209 0.209 13 0 "[ . 1 . 2 .]" 1
445 1 86 ASN H 1 87 MET H 3.000 . 3.900 2.503 2.032 3.477 . 0 0 "[ . 1 . 2 .]" 1
446 1 86 ASN H 1 87 MET HA 4.000 . 5.000 4.672 4.160 5.182 0.182 3 0 "[ . 1 . 2 .]" 1
447 1 86 ASN H 1 87 MET QB 4.000 . 5.000 4.403 3.865 4.822 . 0 0 "[ . 1 . 2 .]" 1
448 1 86 ASN H 1 87 MET QG 4.000 . 5.000 3.841 2.568 5.127 0.127 8 0 "[ . 1 . 2 .]" 1
449 1 86 ASN HA 1 87 MET H 2.500 . 3.000 3.101 2.303 3.406 0.406 21 0 "[ . 1 . 2 .]" 1
450 1 86 ASN QB 1 87 MET H 3.000 . 3.600 3.557 2.965 3.997 0.397 12 0 "[ . 1 . 2 .]" 1
451 1 86 ASN QB 1 87 MET ME 4.000 . 5.000 4.602 2.864 5.348 0.348 7 0 "[ . 1 . 2 .]" 1
452 1 87 MET HA 1 88 PHE H 2.500 . 3.000 2.408 2.126 3.252 0.252 24 0 "[ . 1 . 2 .]" 1
453 1 87 MET HA 1 88 PHE QD 4.000 . 5.000 4.044 3.361 4.974 . 0 0 "[ . 1 . 2 .]" 1
454 1 87 MET QB 1 88 PHE H 3.000 . 3.600 3.164 1.756 3.760 0.160 2 0 "[ . 1 . 2 .]" 1
455 1 87 MET QB 1 88 PHE HA 4.000 . 5.000 4.417 4.011 4.889 . 0 0 "[ . 1 . 2 .]" 1
456 1 87 MET QG 1 88 PHE H 4.000 . 5.000 4.231 3.146 4.931 . 0 0 "[ . 1 . 2 .]" 1
457 1 88 PHE H 1 89 GLU H 3.000 . 3.900 2.896 1.711 4.264 0.364 21 0 "[ . 1 . 2 .]" 1
458 1 88 PHE QB 1 89 GLU H 4.000 . 5.000 2.991 1.731 4.022 0.069 13 0 "[ . 1 . 2 .]" 1
459 1 88 PHE QD 1 89 GLU H 4.000 . 5.000 4.205 3.383 4.903 . 0 0 "[ . 1 . 2 .]" 1
460 1 89 GLU H 1 90 ASN H 4.000 . 5.000 3.993 2.245 4.676 . 0 0 "[ . 1 . 2 .]" 1
461 1 89 GLU HA 1 90 ASN H 2.500 . 3.000 2.631 2.182 3.491 0.491 24 0 "[ . 1 . 2 .]" 1
462 1 89 GLU QB 1 90 ASN H 4.000 . 5.000 2.825 1.804 4.001 . 0 0 "[ . 1 . 2 .]" 1
463 1 89 GLU QG 1 90 ASN H 4.000 . 5.000 3.973 2.695 4.667 . 0 0 "[ . 1 . 2 .]" 1
464 1 90 ASN H 1 91 GLY H 4.000 . 5.000 3.776 2.485 4.700 . 0 0 "[ . 1 . 2 .]" 1
465 1 90 ASN HA 1 91 GLY H 2.500 . 3.000 2.645 2.192 3.360 0.360 22 0 "[ . 1 . 2 .]" 1
466 1 90 ASN QB 1 91 GLY H 4.000 . 5.000 3.312 2.099 3.927 . 0 0 "[ . 1 . 2 .]" 1
467 1 91 GLY H 1 92 SER H 3.000 . 3.900 3.207 2.461 4.157 0.257 6 0 "[ . 1 . 2 .]" 1
468 1 91 GLY QA 1 92 SER H 2.500 . 3.000 2.478 2.141 2.948 . 0 0 "[ . 1 . 2 .]" 1
469 1 92 SER H 1 93 PHE H 3.000 . 3.900 3.185 1.881 4.272 0.372 9 0 "[ . 1 . 2 .]" 1
470 1 93 PHE H 1 94 LEU H 4.000 . 5.000 3.593 2.012 4.649 . 0 0 "[ . 1 . 2 .]" 1
471 1 93 PHE QB 1 94 LEU H 4.000 . 5.000 3.282 2.343 3.991 . 0 0 "[ . 1 . 2 .]" 1
472 1 93 PHE QD 1 94 LEU HA 4.000 . 5.000 3.967 2.940 5.180 0.180 18 0 "[ . 1 . 2 .]" 1
473 1 1 MET QG 1 3 VAL HA 6.000 . 8.000 6.771 4.259 7.897 . 0 0 "[ . 1 . 2 .]" 1
474 1 3 VAL QG 1 5 PRO HA 4.000 . 5.000 4.035 3.576 5.069 0.069 12 0 "[ . 1 . 2 .]" 1
475 1 5 PRO HA 1 7 TYR QE 4.000 . 5.000 4.867 4.231 5.105 0.105 21 0 "[ . 1 . 2 .]" 1
476 1 5 PRO QB 1 7 TYR QD 2.500 . 2.700 2.213 2.064 2.516 . 0 0 "[ . 1 . 2 .]" 1
477 1 5 PRO QB 1 7 TYR QE 2.500 . 2.700 2.797 2.720 2.882 0.182 3 0 "[ . 1 . 2 .]" 1
478 1 7 TYR H 1 11 ALA MB 4.000 . 5.000 5.118 5.001 5.225 0.225 8 0 "[ . 1 . 2 .]" 1
479 1 7 TYR HA 1 11 ALA MB 3.000 . 3.800 3.123 2.858 3.341 . 0 0 "[ . 1 . 2 .]" 1
480 1 7 TYR HB3 1 11 ALA MB 2.500 . 3.200 2.344 2.243 2.489 . 0 0 "[ . 1 . 2 .]" 1
481 1 7 TYR HB2 1 11 ALA MB 3.000 . 3.800 3.675 3.594 3.790 . 0 0 "[ . 1 . 2 .]" 1
482 1 8 SER H 1 11 ALA MB 2.500 . 3.500 2.242 2.008 2.455 . 0 0 "[ . 1 . 2 .]" 1
483 1 8 SER HA 1 11 ALA H 6.000 . 8.000 4.542 4.368 4.769 . 0 0 "[ . 1 . 2 .]" 1
484 1 8 SER H 1 12 LEU QD 6.000 . 8.000 4.562 4.405 4.784 . 0 0 "[ . 1 . 2 .]" 1
485 1 9 TYR H 1 12 LEU QD 4.000 . 5.000 4.311 3.990 4.632 . 0 0 "[ . 1 . 2 .]" 1
486 1 9 TYR HA 1 12 LEU H 4.000 . 5.000 3.528 3.321 3.720 . 0 0 "[ . 1 . 2 .]" 1
487 1 9 TYR HA 1 12 LEU HB3 4.000 . 5.000 4.527 4.147 4.895 . 0 0 "[ . 1 . 2 .]" 1
488 1 9 TYR HA 1 12 LEU HB2 4.000 . 5.000 2.921 2.527 3.276 . 0 0 "[ . 1 . 2 .]" 1
489 1 9 TYR HA 1 12 LEU HG 4.000 . 5.000 3.690 3.450 4.040 . 0 0 "[ . 1 . 2 .]" 1
490 1 9 TYR HA 1 12 LEU QD 3.000 . 3.800 2.452 2.301 2.789 . 0 0 "[ . 1 . 2 .]" 1
491 1 9 TYR HB3 1 13 ILE MD 4.000 . 5.000 3.398 2.930 3.821 . 0 0 "[ . 1 . 2 .]" 1
492 1 9 TYR HB2 1 13 ILE MD 4.000 . 5.000 4.377 3.903 4.752 . 0 0 "[ . 1 . 2 .]" 1
493 1 10 ILE HA 1 13 ILE HB 4.000 . 5.000 2.855 2.579 3.154 . 0 0 "[ . 1 . 2 .]" 1
494 1 10 ILE HA 1 13 ILE MG 4.000 . 5.000 4.181 3.908 4.462 . 0 0 "[ . 1 . 2 .]" 1
495 1 10 ILE HA 1 13 ILE MD 3.000 . 3.800 2.435 2.213 2.830 . 0 0 "[ . 1 . 2 .]" 1
496 1 10 ILE MG 1 13 ILE HB 4.000 . 5.000 3.691 3.362 4.104 . 0 0 "[ . 1 . 2 .]" 1
497 1 10 ILE MG 1 14 THR H 4.000 . 5.000 3.894 3.474 4.210 . 0 0 "[ . 1 . 2 .]" 1
498 1 10 ILE MG 1 14 THR HB 4.000 . 5.000 4.211 3.498 4.567 . 0 0 "[ . 1 . 2 .]" 1
499 1 11 ALA HA 1 14 THR H 4.000 . 5.000 3.277 3.196 3.485 . 0 0 "[ . 1 . 2 .]" 1
500 1 11 ALA HA 1 14 THR HA 4.000 . 5.000 5.154 5.054 5.272 0.272 3 0 "[ . 1 . 2 .]" 1
501 1 11 ALA HA 1 14 THR HB 2.500 . 2.700 2.466 2.335 2.642 . 0 0 "[ . 1 . 2 .]" 1
502 1 11 ALA HA 1 14 THR MG 4.000 . 5.000 3.872 3.695 4.019 . 0 0 "[ . 1 . 2 .]" 1
503 1 11 ALA MB 1 14 THR HB 4.000 . 5.000 3.897 3.747 4.097 . 0 0 "[ . 1 . 2 .]" 1
504 1 11 ALA HA 1 15 MET ME 4.000 . 5.000 4.241 3.856 5.232 0.232 3 0 "[ . 1 . 2 .]" 1
505 1 12 LEU HA 1 15 MET H 4.000 . 5.000 3.504 3.262 3.713 . 0 0 "[ . 1 . 2 .]" 1
506 1 12 LEU HA 1 15 MET HB3 4.000 . 5.000 4.461 4.155 4.738 . 0 0 "[ . 1 . 2 .]" 1
507 1 12 LEU HA 1 15 MET HB2 3.000 . 3.300 2.822 2.535 3.049 . 0 0 "[ . 1 . 2 .]" 1
508 1 12 LEU HA 1 15 MET ME 4.000 . 5.000 3.287 2.110 4.346 . 0 0 "[ . 1 . 2 .]" 1
509 1 12 LEU QD 1 15 MET HB3 4.000 . 5.000 4.804 4.400 5.069 0.069 7 0 "[ . 1 . 2 .]" 1
510 1 12 LEU QD 1 15 MET HB2 4.000 . 5.000 3.828 3.505 4.051 . 0 0 "[ . 1 . 2 .]" 1
511 1 12 LEU QD 1 15 MET ME 2.500 . 3.700 3.018 2.070 3.802 0.102 19 0 "[ . 1 . 2 .]" 1
512 1 13 ILE HB 1 15 MET H 4.000 . 5.000 5.015 4.821 5.081 0.081 6 0 "[ . 1 . 2 .]" 1
513 1 13 ILE HA 1 16 ALA H 4.000 . 5.000 3.497 3.332 3.719 . 0 0 "[ . 1 . 2 .]" 1
514 1 13 ILE HA 1 16 ALA MB 2.500 . 3.200 2.611 2.346 2.809 . 0 0 "[ . 1 . 2 .]" 1
515 1 13 ILE MG 1 16 ALA MB 4.000 . 5.000 3.480 3.271 3.761 . 0 0 "[ . 1 . 2 .]" 1
516 1 13 ILE MG 1 17 ILE MG 4.000 . 5.000 4.910 4.715 5.089 0.089 24 0 "[ . 1 . 2 .]" 1
517 1 13 ILE MG 1 17 ILE MD 2.500 . 3.700 2.522 2.292 2.698 . 0 0 "[ . 1 . 2 .]" 1
518 1 13 ILE MG 1 17 ILE QG 4.000 . 5.000 3.039 2.796 3.241 . 0 0 "[ . 1 . 2 .]" 1
519 1 14 THR HA 1 17 ILE HB 4.000 . 5.000 3.376 3.127 3.667 . 0 0 "[ . 1 . 2 .]" 1
520 1 14 THR HA 1 17 ILE MG 4.000 . 5.000 4.624 4.464 4.883 . 0 0 "[ . 1 . 2 .]" 1
521 1 14 THR HA 1 17 ILE MD 4.000 . 5.000 2.382 2.334 2.453 . 0 0 "[ . 1 . 2 .]" 1
522 1 14 THR HB 1 17 ILE MD 4.000 . 5.000 5.094 5.045 5.161 0.161 6 0 "[ . 1 . 2 .]" 1
523 1 14 THR MG 1 17 ILE HB 4.000 . 5.000 4.022 3.821 4.317 . 0 0 "[ . 1 . 2 .]" 1
524 1 14 THR MG 1 17 ILE MD 4.000 . 5.000 3.592 3.390 3.788 . 0 0 "[ . 1 . 2 .]" 1
525 1 14 THR MG 1 18 GLN HB2 4.000 . 5.000 4.268 3.918 4.750 . 0 0 "[ . 1 . 2 .]" 1
526 1 14 THR MG 1 18 GLN QG 4.000 . 5.000 3.100 2.631 3.502 . 0 0 "[ . 1 . 2 .]" 1
527 1 14 THR MG 1 18 GLN QE 6.000 . 8.000 3.302 1.861 5.185 . 0 0 "[ . 1 . 2 .]" 1
528 1 15 MET HA 1 18 GLN H 4.000 . 5.000 3.528 3.295 3.703 . 0 0 "[ . 1 . 2 .]" 1
529 1 15 MET HA 1 18 GLN QG 4.000 . 5.000 3.736 3.205 4.445 . 0 0 "[ . 1 . 2 .]" 1
530 1 16 ALA H 1 19 ASN H 4.000 . 5.000 4.588 4.449 4.872 . 0 0 "[ . 1 . 2 .]" 1
531 1 17 ILE HA 1 20 ALA H 4.000 . 5.000 3.618 3.364 3.859 . 0 0 "[ . 1 . 2 .]" 1
532 1 17 ILE HA 1 20 ALA MB 3.000 . 3.800 2.610 2.270 3.051 . 0 0 "[ . 1 . 2 .]" 1
533 1 17 ILE MG 1 20 ALA H 4.000 . 5.000 4.511 4.266 4.852 . 0 0 "[ . 1 . 2 .]" 1
534 1 17 ILE MG 1 20 ALA MB 4.000 . 5.000 3.537 3.171 4.007 . 0 0 "[ . 1 . 2 .]" 1
535 1 18 GLN HA 1 20 ALA H 4.000 . 5.000 3.814 3.584 4.165 . 0 0 "[ . 1 . 2 .]" 1
536 1 18 GLN HA 1 20 ALA MB 4.000 . 5.000 4.631 4.404 4.895 . 0 0 "[ . 1 . 2 .]" 1
537 1 18 GLN HB2 1 20 ALA H 4.000 . 5.000 4.743 4.623 4.954 . 0 0 "[ . 1 . 2 .]" 1
538 1 20 ALA MB 1 23 LYS HA 2.500 . 3.200 3.319 3.214 3.442 0.242 25 0 "[ . 1 . 2 .]" 1
539 1 25 ILE MD 1 29 GLY HA2 4.000 . 5.000 4.118 3.733 4.737 . 0 0 "[ . 1 . 2 .]" 1
540 1 25 ILE QG 1 29 GLY H 4.000 . 5.000 3.807 3.572 4.143 . 0 0 "[ . 1 . 2 .]" 1
541 1 25 ILE QG 1 29 GLY HA3 4.000 . 5.000 2.812 2.537 3.190 . 0 0 "[ . 1 . 2 .]" 1
542 1 25 ILE QG 1 29 GLY HA2 4.000 . 5.000 4.303 4.008 4.688 . 0 0 "[ . 1 . 2 .]" 1
543 1 26 THR HB 1 28 ASN QB 4.000 . 5.000 3.512 3.082 3.817 . 0 0 "[ . 1 . 2 .]" 1
544 1 26 THR MG 1 28 ASN H 4.000 . 5.000 4.331 2.616 4.738 . 0 0 "[ . 1 . 2 .]" 1
545 1 26 THR MG 1 28 ASN QB 4.000 . 5.000 4.244 3.236 4.643 . 0 0 "[ . 1 . 2 .]" 1
546 1 27 LEU HA 1 30 ILE H 4.000 . 5.000 3.611 3.392 3.764 . 0 0 "[ . 1 . 2 .]" 1
547 1 27 LEU HA 1 30 ILE HB 4.000 . 5.000 3.347 3.065 3.581 . 0 0 "[ . 1 . 2 .]" 1
548 1 27 LEU HA 1 30 ILE MG 4.000 . 5.000 4.585 4.314 4.768 . 0 0 "[ . 1 . 2 .]" 1
549 1 27 LEU HA 1 30 ILE MD 2.500 . 3.200 2.373 2.254 2.535 . 0 0 "[ . 1 . 2 .]" 1
550 1 27 LEU HA 1 30 ILE QG 4.000 . 5.000 3.468 3.095 3.839 . 0 0 "[ . 1 . 2 .]" 1
551 1 27 LEU HG 1 31 TYR QE 2.500 . 2.700 2.470 2.293 2.889 0.189 1 0 "[ . 1 . 2 .]" 1
552 1 27 LEU QD 1 31 TYR QE 2.500 . 3.200 2.795 2.055 3.222 0.022 1 0 "[ . 1 . 2 .]" 1
553 1 28 ASN H 1 31 TYR QD 4.000 . 5.000 4.545 4.305 4.942 . 0 0 "[ . 1 . 2 .]" 1
554 1 28 ASN HA 1 31 TYR H 4.000 . 5.000 3.554 3.289 3.704 . 0 0 "[ . 1 . 2 .]" 1
555 1 28 ASN HA 1 31 TYR HB3 4.000 . 5.000 4.806 4.609 5.173 0.173 18 0 "[ . 1 . 2 .]" 1
556 1 28 ASN HA 1 31 TYR HB2 4.000 . 5.000 3.200 2.987 3.778 . 0 0 "[ . 1 . 2 .]" 1
557 1 28 ASN HA 1 31 TYR QD 2.500 . 2.700 2.293 2.169 2.677 . 0 0 "[ . 1 . 2 .]" 1
558 1 28 ASN HA 1 31 TYR QE 4.000 . 5.000 4.005 2.730 4.298 . 0 0 "[ . 1 . 2 .]" 1
559 1 28 ASN QB 1 31 TYR QD 4.000 . 5.000 4.303 3.687 4.575 . 0 0 "[ . 1 . 2 .]" 1
560 1 29 GLY HA3 1 32 GLN QB 4.000 . 5.000 4.306 4.133 4.674 . 0 0 "[ . 1 . 2 .]" 1
561 1 29 GLY HA2 1 32 GLN QB 4.000 . 5.000 2.979 2.819 3.229 . 0 0 "[ . 1 . 2 .]" 1
562 1 30 ILE HA 1 33 PHE H 4.000 . 5.000 3.501 3.354 3.740 . 0 0 "[ . 1 . 2 .]" 1
563 1 30 ILE HA 1 33 PHE HB3 4.000 . 5.000 3.105 2.830 3.497 . 0 0 "[ . 1 . 2 .]" 1
564 1 30 ILE HA 1 34 ILE MD 4.000 . 5.000 4.815 3.562 5.052 0.052 9 0 "[ . 1 . 2 .]" 1
565 1 30 ILE MG 1 34 ILE MG 4.000 . 5.000 4.924 4.619 5.121 0.121 9 0 "[ . 1 . 2 .]" 1
566 1 30 ILE MG 1 34 ILE QG 4.000 . 5.000 3.145 2.841 3.679 . 0 0 "[ . 1 . 2 .]" 1
567 1 31 TYR HA 1 34 ILE HB 4.000 . 5.000 3.121 2.675 3.465 . 0 0 "[ . 1 . 2 .]" 1
568 1 31 TYR HA 1 34 ILE MG 4.000 . 5.000 4.464 4.092 4.787 . 0 0 "[ . 1 . 2 .]" 1
569 1 31 TYR HA 1 34 ILE MD 4.000 . 5.000 2.788 2.439 4.177 . 0 0 "[ . 1 . 2 .]" 1
570 1 31 TYR HA 1 35 MET ME 4.000 . 5.000 3.668 3.279 4.142 . 0 0 "[ . 1 . 2 .]" 1
571 1 31 TYR HB2 1 35 MET ME 3.000 . 3.800 3.457 2.810 3.836 0.036 4 0 "[ . 1 . 2 .]" 1
572 1 32 GLN HA 1 35 MET H 4.000 . 5.000 3.750 3.540 3.925 . 0 0 "[ . 1 . 2 .]" 1
573 1 32 GLN HA 1 35 MET ME 2.500 . 3.200 2.505 2.135 3.304 0.104 1 0 "[ . 1 . 2 .]" 1
574 1 32 GLN HA 1 35 MET QG 4.000 . 5.000 4.172 3.401 4.590 . 0 0 "[ . 1 . 2 .]" 1
575 1 32 GLN HA 1 36 ASP H 4.000 . 5.000 4.023 3.472 4.573 . 0 0 "[ . 1 . 2 .]" 1
576 1 33 PHE HA 1 36 ASP H 4.000 . 5.000 3.787 3.590 4.092 . 0 0 "[ . 1 . 2 .]" 1
577 1 33 PHE HA 1 36 ASP HB3 4.000 . 5.000 4.526 4.063 4.805 . 0 0 "[ . 1 . 2 .]" 1
578 1 33 PHE HA 1 36 ASP HB2 3.000 . 3.300 2.924 2.542 3.177 . 0 0 "[ . 1 . 2 .]" 1
579 1 34 ILE HA 1 37 ARG QG 4.000 . 5.000 4.302 3.410 5.025 0.025 18 0 "[ . 1 . 2 .]" 1
580 1 34 ILE HA 1 38 PHE QE 4.000 . 5.000 4.133 3.565 5.145 0.145 9 0 "[ . 1 . 2 .]" 1
581 1 34 ILE MG 1 38 PHE HB3 4.000 . 5.000 4.430 3.921 5.057 0.057 9 0 "[ . 1 . 2 .]" 1
582 1 34 ILE MG 1 38 PHE HB2 4.000 . 5.000 3.041 2.571 3.634 . 0 0 "[ . 1 . 2 .]" 1
583 1 34 ILE MG 1 38 PHE QD 3.000 . 3.800 2.709 2.290 3.319 . 0 0 "[ . 1 . 2 .]" 1
584 1 34 ILE MG 1 38 PHE QE 6.000 . 8.000 4.310 4.010 5.000 . 0 0 "[ . 1 . 2 .]" 1
585 1 35 MET HA 1 38 PHE H 4.000 . 5.000 3.858 3.637 4.325 . 0 0 "[ . 1 . 2 .]" 1
586 1 36 ASP H 1 38 PHE H 6.000 . 8.000 4.317 3.942 4.904 . 0 0 "[ . 1 . 2 .]" 1
587 1 38 PHE HB2 1 40 PHE H 4.000 . 5.000 3.944 3.650 4.245 . 0 0 "[ . 1 . 2 .]" 1
588 1 38 PHE HB3 1 41 TYR QD 3.000 . 3.300 2.935 2.545 3.311 0.011 16 0 "[ . 1 . 2 .]" 1
589 1 38 PHE HB3 1 41 TYR QE 4.000 . 5.000 2.936 2.332 3.498 . 0 0 "[ . 1 . 2 .]" 1
590 1 38 PHE HB2 1 41 TYR H 6.000 . 8.000 3.779 3.569 3.988 . 0 0 "[ . 1 . 2 .]" 1
591 1 38 PHE HB2 1 41 TYR QD 2.500 . 2.700 2.307 2.263 2.373 . 0 0 "[ . 1 . 2 .]" 1
592 1 38 PHE HB2 1 41 TYR QE 2.500 . 2.700 2.847 2.733 2.952 0.252 7 0 "[ . 1 . 2 .]" 1
593 1 38 PHE QD 1 41 TYR QD 4.000 . 5.000 4.140 3.816 4.282 . 0 0 "[ . 1 . 2 .]" 1
594 1 38 PHE QD 1 41 TYR QE 4.000 . 5.000 3.744 3.372 3.965 . 0 0 "[ . 1 . 2 .]" 1
595 1 39 PRO HA 1 41 TYR H 4.000 . 5.000 3.982 3.798 4.236 . 0 0 "[ . 1 . 2 .]" 1
596 1 39 PRO HA 1 42 ARG QD 3.000 . 3.300 2.599 2.272 3.427 0.127 23 0 "[ . 1 . 2 .]" 1
597 1 40 PHE HA 1 42 ARG H 4.000 . 5.000 4.095 3.828 4.312 . 0 0 "[ . 1 . 2 .]" 1
598 1 40 PHE HA 1 43 GLU QB 4.000 . 5.000 3.906 3.474 4.705 . 0 0 "[ . 1 . 2 .]" 1
599 1 41 TYR HA 1 44 ASN QB 4.000 . 5.000 2.876 2.277 3.453 . 0 0 "[ . 1 . 2 .]" 1
600 1 41 TYR QD 1 44 ASN QB 4.000 . 5.000 4.161 3.310 4.760 . 0 0 "[ . 1 . 2 .]" 1
601 1 42 ARG HA 1 45 LYS QE 4.000 . 5.000 3.954 3.033 5.027 0.027 15 0 "[ . 1 . 2 .]" 1
602 1 43 GLU HA 1 45 LYS QG 4.000 . 5.000 4.638 4.171 4.981 . 0 0 "[ . 1 . 2 .]" 1
603 1 43 GLU HA 1 45 LYS QE 6.000 . 8.000 5.194 4.226 7.379 . 0 0 "[ . 1 . 2 .]" 1
604 1 44 ASN HA 1 46 GLN H 4.000 . 5.000 3.842 3.323 4.837 . 0 0 "[ . 1 . 2 .]" 1
605 1 44 ASN QB 1 47 GLY QA 6.000 . 8.000 5.753 4.671 7.705 . 0 0 "[ . 1 . 2 .]" 1
606 1 44 ASN QB 1 48 TRP HD1 3.000 . 3.300 3.276 3.010 3.494 0.194 13 0 "[ . 1 . 2 .]" 1
607 1 44 ASN QB 1 48 TRP HE1 4.000 . 5.000 4.051 3.419 4.432 . 0 0 "[ . 1 . 2 .]" 1
608 1 45 LYS HA 1 48 TRP H 6.000 . 8.000 5.187 4.945 5.573 . 0 0 "[ . 1 . 2 .]" 1
609 1 45 LYS HA 1 48 TRP HD1 3.000 . 3.300 3.396 3.017 3.556 0.256 10 0 "[ . 1 . 2 .]" 1
610 1 45 LYS HA 1 48 TRP HE1 3.000 . 3.300 1.788 1.677 2.033 0.123 6 0 "[ . 1 . 2 .]" 1
611 1 45 LYS QB 1 48 TRP HD1 4.000 . 5.000 4.999 4.738 5.143 0.143 6 0 "[ . 1 . 2 .]" 1
612 1 45 LYS QG 1 48 TRP HZ2 4.000 . 5.000 4.303 3.843 5.078 0.078 16 0 "[ . 1 . 2 .]" 1
613 1 45 LYS HB3 1 49 GLN QG 6.000 . 8.000 5.042 3.946 6.002 . 0 0 "[ . 1 . 2 .]" 1
614 1 46 GLN H 1 48 TRP H 6.000 . 8.000 4.881 3.884 5.363 . 0 0 "[ . 1 . 2 .]" 1
615 1 46 GLN H 1 48 TRP HD1 4.000 . 5.000 4.113 2.381 4.949 . 0 0 "[ . 1 . 2 .]" 1
616 1 46 GLN HA 1 48 TRP H 4.000 . 5.000 4.300 3.992 4.724 . 0 0 "[ . 1 . 2 .]" 1
617 1 46 GLN HA 1 48 TRP HD1 4.000 . 5.000 4.816 4.303 5.058 0.058 6 0 "[ . 1 . 2 .]" 1
618 1 46 GLN QB 1 48 TRP H 4.000 . 5.000 4.519 2.639 5.092 0.092 18 0 "[ . 1 . 2 .]" 1
619 1 46 GLN QB 1 48 TRP HD1 6.000 . 8.000 4.975 2.687 5.713 . 0 0 "[ . 1 . 2 .]" 1
620 1 46 GLN HA 1 49 GLN QB 4.000 . 5.000 3.763 3.002 5.232 0.232 24 0 "[ . 1 . 2 .]" 1
621 1 47 GLY QA 1 50 ASN QB 4.000 . 5.000 3.893 2.634 4.920 . 0 0 "[ . 1 . 2 .]" 1
622 1 48 TRP HA 1 51 SER H 4.000 . 5.000 3.518 3.338 3.884 . 0 0 "[ . 1 . 2 .]" 1
623 1 48 TRP HA 1 51 SER QB 4.000 . 5.000 2.786 2.328 3.283 . 0 0 "[ . 1 . 2 .]" 1
624 1 48 TRP HE3 1 52 ILE HB 4.000 . 5.000 4.593 4.376 5.024 0.024 8 0 "[ . 1 . 2 .]" 1
625 1 48 TRP HE3 1 52 ILE MD 3.000 . 3.800 2.931 2.224 3.761 . 0 0 "[ . 1 . 2 .]" 1
626 1 48 TRP HE3 1 52 ILE QG 3.000 . 3.300 2.474 2.163 3.224 . 0 0 "[ . 1 . 2 .]" 1
627 1 49 GLN HA 1 52 ILE HB 4.000 . 5.000 3.789 3.293 4.054 . 0 0 "[ . 1 . 2 .]" 1
628 1 49 GLN HA 1 52 ILE MG 4.000 . 5.000 4.905 4.429 5.189 0.189 4 0 "[ . 1 . 2 .]" 1
629 1 49 GLN HA 1 52 ILE MD 4.000 . 5.000 4.884 3.855 5.218 0.218 12 0 "[ . 1 . 2 .]" 1
630 1 49 GLN HA 1 52 ILE QG 4.000 . 5.000 3.463 2.985 4.276 . 0 0 "[ . 1 . 2 .]" 1
631 1 50 ASN HA 1 52 ILE H 6.000 . 8.000 4.229 3.810 4.443 . 0 0 "[ . 1 . 2 .]" 1
632 1 50 ASN HA 1 53 ARG H 4.000 . 5.000 3.638 3.332 4.179 . 0 0 "[ . 1 . 2 .]" 1
633 1 50 ASN HA 1 53 ARG QB 4.000 . 5.000 3.809 2.760 5.076 0.076 9 0 "[ . 1 . 2 .]" 1
634 1 50 ASN HA 1 53 ARG QD 3.000 . 3.300 3.385 2.969 3.517 0.217 11 0 "[ . 1 . 2 .]" 1
635 1 51 SER HA 1 54 HIS H 4.000 . 5.000 3.606 3.305 3.947 . 0 0 "[ . 1 . 2 .]" 1
636 1 51 SER HA 1 54 HIS QB 3.000 . 3.300 2.539 2.305 2.914 . 0 0 "[ . 1 . 2 .]" 1
637 1 52 ILE HA 1 55 ASN H 4.000 . 5.000 3.787 3.242 4.243 . 0 0 "[ . 1 . 2 .]" 1
638 1 52 ILE HA 1 55 ASN QB 4.000 . 5.000 3.206 2.303 4.257 . 0 0 "[ . 1 . 2 .]" 1
639 1 52 ILE MD 1 55 ASN QB 4.000 . 5.000 4.502 3.418 5.267 0.267 6 0 "[ . 1 . 2 .]" 1
640 1 52 ILE MG 1 56 LEU QD 3.000 . 4.300 2.693 2.102 3.346 . 0 0 "[ . 1 . 2 .]" 1
641 1 52 ILE QG 1 56 LEU HG 6.000 . 8.000 6.234 5.043 6.953 . 0 0 "[ . 1 . 2 .]" 1
642 1 53 ARG HA 1 56 LEU H 4.000 . 5.000 3.271 3.034 3.438 . 0 0 "[ . 1 . 2 .]" 1
643 1 53 ARG HA 1 56 LEU HA 4.000 . 5.000 5.231 5.094 5.374 0.374 21 0 "[ . 1 . 2 .]" 1
644 1 53 ARG HA 1 56 LEU HB2 4.000 . 5.000 2.715 2.393 3.531 . 0 0 "[ . 1 . 2 .]" 1
645 1 53 ARG HA 1 56 LEU QD 4.000 . 5.000 2.291 2.107 2.581 . 0 0 "[ . 1 . 2 .]" 1
646 1 54 HIS HD2 1 58 LEU QD 4.000 . 5.000 3.662 2.069 5.092 0.092 13 0 "[ . 1 . 2 .]" 1
647 1 54 HIS HE1 1 58 LEU QD 6.000 . 8.000 3.872 2.100 6.975 . 0 0 "[ . 1 . 2 .]" 1
648 1 55 ASN HA 1 58 LEU H 4.000 . 5.000 3.539 3.264 3.743 . 0 0 "[ . 1 . 2 .]" 1
649 1 55 ASN HA 1 58 LEU QB 4.000 . 5.000 2.834 2.436 3.923 . 0 0 "[ . 1 . 2 .]" 1
650 1 55 ASN HA 1 58 LEU QD 2.500 . 3.200 2.986 2.262 3.350 0.150 17 0 "[ . 1 . 2 .]" 1
651 1 55 ASN QB 1 58 LEU QB 4.000 . 5.000 4.447 3.720 5.033 0.033 5 0 "[ . 1 . 2 .]" 1
652 1 55 ASN HA 1 59 ASN QD 4.000 . 5.000 3.743 2.549 5.021 0.021 25 0 "[ . 1 . 2 .]" 1
653 1 58 LEU QB 1 60 GLU QG 4.000 . 5.000 5.112 5.000 5.259 0.259 22 0 "[ . 1 . 2 .]" 1
654 1 59 ASN HA 1 61 CYS H 4.000 . 5.000 3.418 3.154 3.892 . 0 0 "[ . 1 . 2 .]" 1
655 1 59 ASN QB 1 62 PHE QD 4.000 . 5.000 2.385 2.087 2.995 . 0 0 "[ . 1 . 2 .]" 1
656 1 59 ASN QB 1 62 PHE QE 4.000 . 5.000 2.790 2.219 3.735 . 0 0 "[ . 1 . 2 .]" 1
657 1 67 ARG QD 1 70 LYS H 6.000 . 8.000 7.412 6.328 8.168 0.168 22 0 "[ . 1 . 2 .]" 1
658 1 67 ARG QD 1 71 LYS QG 4.000 . 5.000 4.426 2.899 5.165 0.165 3 0 "[ . 1 . 2 .]" 1
659 1 68 ASP HA 1 70 LYS H 4.000 . 5.000 4.101 3.761 4.640 . 0 0 "[ . 1 . 2 .]" 1
660 1 68 ASP QB 1 70 LYS H 2.500 . 3.000 2.587 2.374 2.969 . 0 0 "[ . 1 . 2 .]" 1
661 1 68 ASP H 1 71 LYS QB 4.000 . 5.000 3.985 2.850 5.127 0.127 14 0 "[ . 1 . 2 .]" 1
662 1 68 ASP QB 1 71 LYS H 4.000 . 5.000 3.334 2.542 4.904 . 0 0 "[ . 1 . 2 .]" 1
663 1 68 ASP QB 1 71 LYS QB 4.000 . 5.000 3.810 2.256 4.931 . 0 0 "[ . 1 . 2 .]" 1
664 1 69 ASP H 1 71 LYS H 4.000 . 5.000 4.463 4.009 5.083 0.083 10 0 "[ . 1 . 2 .]" 1
665 1 69 ASP HA 1 71 LYS H 4.000 . 5.000 3.970 3.387 4.446 . 0 0 "[ . 1 . 2 .]" 1
666 1 74 LYS QB 1 77 TYR QE 4.000 . 5.000 4.439 2.713 5.269 0.269 21 0 "[ . 1 . 2 .]" 1
667 1 81 ASP QB 1 84 SER QB 4.000 . 5.000 3.847 2.434 5.098 0.098 6 0 "[ . 1 . 2 .]" 1
668 1 82 PRO HA 1 84 SER H 4.000 . 5.000 4.543 4.032 5.156 0.156 5 0 "[ . 1 . 2 .]" 1
669 1 82 PRO QB 1 84 SER H 6.000 . 8.000 3.504 2.445 4.426 . 0 0 "[ . 1 . 2 .]" 1
670 1 82 PRO QB 1 84 SER HA 4.000 . 5.000 4.722 3.866 5.115 0.115 14 0 "[ . 1 . 2 .]" 1
671 1 82 PRO QD 1 84 SER HA 4.000 . 5.000 5.008 4.115 5.191 0.191 15 0 "[ . 1 . 2 .]" 1
672 1 83 ASP QB 1 85 TYR QD 4.000 . 5.000 4.425 2.838 5.175 0.175 24 0 "[ . 1 . 2 .]" 1
673 1 84 SER HA 1 87 MET QB 3.000 . 3.300 3.023 2.374 3.602 0.302 7 0 "[ . 1 . 2 .]" 1
674 1 84 SER QB 1 87 MET ME 4.000 . 5.000 4.321 2.016 5.143 0.143 19 0 "[ . 1 . 2 .]" 1
675 1 84 SER QB 1 87 MET QB 4.000 . 5.000 3.374 2.273 4.990 . 0 0 "[ . 1 . 2 .]" 1
676 1 84 SER QB 1 87 MET QG 4.000 . 5.000 3.795 2.182 5.057 0.057 22 0 "[ . 1 . 2 .]" 1
677 1 2 LEU QD 1 39 PRO QB 3.000 . 3.800 3.349 2.200 3.843 0.043 1 0 "[ . 1 . 2 .]" 1
678 1 2 LEU QD 1 39 PRO QG 4.000 . 5.000 3.109 2.204 4.867 . 0 0 "[ . 1 . 2 .]" 1
679 1 2 LEU HB3 1 40 PHE H 4.000 . 5.000 4.785 3.902 5.137 0.137 11 0 "[ . 1 . 2 .]" 1
680 1 2 LEU HB3 1 40 PHE HA 4.000 . 5.000 3.653 2.699 4.471 . 0 0 "[ . 1 . 2 .]" 1
681 1 2 LEU HB3 1 40 PHE QD 4.000 . 5.000 2.864 2.314 3.930 . 0 0 "[ . 1 . 2 .]" 1
682 1 2 LEU HB2 1 40 PHE H 6.000 . 8.000 5.938 4.725 6.605 . 0 0 "[ . 1 . 2 .]" 1
683 1 2 LEU HB2 1 40 PHE HA 4.000 . 5.000 4.069 2.913 5.004 0.004 1 0 "[ . 1 . 2 .]" 1
684 1 2 LEU HB2 1 40 PHE QD 4.000 . 5.000 3.253 2.355 4.171 . 0 0 "[ . 1 . 2 .]" 1
685 1 2 LEU QD 1 40 PHE H 3.000 . 4.100 3.783 2.900 4.240 0.140 20 0 "[ . 1 . 2 .]" 1
686 1 2 LEU QD 1 40 PHE HA 3.000 . 3.800 2.793 2.168 3.784 . 0 0 "[ . 1 . 2 .]" 1
687 1 2 LEU QD 1 43 GLU QG 4.000 . 5.000 4.058 2.548 4.916 . 0 0 "[ . 1 . 2 .]" 1
688 1 3 VAL H 1 40 PHE QD 4.000 . 5.000 4.391 3.740 5.061 0.061 25 0 "[ . 1 . 2 .]" 1
689 1 4 LYS H 1 40 PHE QD 4.000 . 5.000 4.863 3.878 5.104 0.104 14 0 "[ . 1 . 2 .]" 1
690 1 4 LYS HA 1 40 PHE QD 4.000 . 5.000 3.007 2.411 3.788 . 0 0 "[ . 1 . 2 .]" 1
691 1 4 LYS QG 1 40 PHE QD 6.000 . 8.000 4.266 2.951 5.626 . 0 0 "[ . 1 . 2 .]" 1
692 1 4 LYS QG 1 40 PHE QE 6.000 . 8.000 4.153 2.237 6.426 . 0 0 "[ . 1 . 2 .]" 1
693 1 4 LYS QD 1 40 PHE QE 4.000 . 5.000 4.122 2.517 5.062 0.062 6 0 "[ . 1 . 2 .]" 1
694 1 4 LYS HA 1 41 TYR QE 4.000 . 5.000 4.220 3.540 4.706 . 0 0 "[ . 1 . 2 .]" 1
695 1 5 PRO QB 1 12 LEU QD 4.000 . 5.000 3.260 2.410 3.793 . 0 0 "[ . 1 . 2 .]" 1
696 1 5 PRO QG 1 12 LEU QD 4.000 . 5.000 2.758 2.343 3.279 . 0 0 "[ . 1 . 2 .]" 1
697 1 5 PRO QB 1 38 PHE QD 4.000 . 5.000 3.582 3.019 4.033 . 0 0 "[ . 1 . 2 .]" 1
698 1 5 PRO QB 1 38 PHE QE 4.000 . 5.000 3.005 2.443 3.674 . 0 0 "[ . 1 . 2 .]" 1
699 1 5 PRO QG 1 38 PHE QD 3.000 . 3.300 2.842 2.259 3.318 0.018 22 0 "[ . 1 . 2 .]" 1
700 1 5 PRO QG 1 38 PHE QE 4.000 . 5.000 3.198 2.685 3.865 . 0 0 "[ . 1 . 2 .]" 1
701 1 5 PRO QD 1 40 PHE QB 4.000 . 5.000 3.515 2.408 4.161 . 0 0 "[ . 1 . 2 .]" 1
702 1 5 PRO QD 1 40 PHE QD 4.000 . 5.000 2.831 2.270 4.064 . 0 0 "[ . 1 . 2 .]" 1
703 1 5 PRO QD 1 40 PHE QE 4.000 . 5.000 3.475 2.325 4.885 . 0 0 "[ . 1 . 2 .]" 1
704 1 5 PRO QB 1 41 TYR QE 4.000 . 5.000 4.552 3.789 5.025 0.025 18 0 "[ . 1 . 2 .]" 1
705 1 5 PRO QG 1 41 TYR QE 3.000 . 3.300 2.915 2.315 3.361 0.061 21 0 "[ . 1 . 2 .]" 1
706 1 5 PRO QD 1 41 TYR QD 4.000 . 5.000 4.415 4.164 4.642 . 0 0 "[ . 1 . 2 .]" 1
707 1 5 PRO QD 1 41 TYR QE 2.500 . 2.700 2.670 2.393 2.801 0.101 16 0 "[ . 1 . 2 .]" 1
708 1 7 TYR H 1 12 LEU QD 4.000 . 5.000 3.854 3.697 4.150 . 0 0 "[ . 1 . 2 .]" 1
709 1 7 TYR HA 1 12 LEU QD 4.000 . 5.000 4.327 4.185 4.554 . 0 0 "[ . 1 . 2 .]" 1
710 1 7 TYR HB3 1 12 LEU HG 2.500 . 2.700 2.729 2.605 2.861 0.161 1 0 "[ . 1 . 2 .]" 1
711 1 7 TYR HB3 1 12 LEU QD 3.000 . 3.800 2.683 2.321 2.949 . 0 0 "[ . 1 . 2 .]" 1
712 1 7 TYR HB2 1 12 LEU QD 3.000 . 3.800 2.189 2.065 2.486 . 0 0 "[ . 1 . 2 .]" 1
713 1 7 TYR QD 1 12 LEU QD 2.500 . 3.200 2.332 2.071 2.656 . 0 0 "[ . 1 . 2 .]" 1
714 1 7 TYR QE 1 12 LEU QD 4.000 . 5.000 3.938 3.632 4.131 . 0 0 "[ . 1 . 2 .]" 1
715 1 7 TYR HB3 1 15 MET ME 4.000 . 5.000 2.940 2.246 4.026 . 0 0 "[ . 1 . 2 .]" 1
716 1 7 TYR QD 1 15 MET ME 3.000 . 3.800 2.800 2.300 3.247 . 0 0 "[ . 1 . 2 .]" 1
717 1 7 TYR QE 1 15 MET ME 3.000 . 3.800 3.175 2.565 3.809 0.009 23 0 "[ . 1 . 2 .]" 1
718 1 7 TYR QD 1 38 PHE QD 6.000 . 8.000 4.797 4.561 4.965 . 0 0 "[ . 1 . 2 .]" 1
719 1 7 TYR QD 1 38 PHE QE 4.000 . 5.000 3.533 2.755 3.790 . 0 0 "[ . 1 . 2 .]" 1
720 1 7 TYR QE 1 38 PHE QE 2.500 . 2.700 2.681 2.346 2.835 0.135 15 0 "[ . 1 . 2 .]" 1
721 1 9 TYR QD 1 41 TYR QE 4.000 . 5.000 4.710 4.363 5.006 0.006 15 0 "[ . 1 . 2 .]" 1
722 1 9 TYR QE 1 41 TYR QD 4.000 . 5.000 4.833 4.355 5.112 0.112 3 0 "[ . 1 . 2 .]" 1
723 1 9 TYR QE 1 41 TYR QE 3.000 . 3.300 3.122 2.480 3.359 0.059 16 0 "[ . 1 . 2 .]" 1
724 1 9 TYR QD 1 51 SER QB 4.000 . 5.000 4.130 3.550 4.637 . 0 0 "[ . 1 . 2 .]" 1
725 1 9 TYR QE 1 51 SER QB 4.000 . 5.000 4.026 3.612 4.547 . 0 0 "[ . 1 . 2 .]" 1
726 1 9 TYR HA 1 52 ILE MD 4.000 . 5.000 3.480 3.218 3.743 . 0 0 "[ . 1 . 2 .]" 1
727 1 9 TYR HB3 1 52 ILE MD 4.000 . 5.000 2.901 2.311 3.609 . 0 0 "[ . 1 . 2 .]" 1
728 1 9 TYR HB2 1 52 ILE MD 4.000 . 5.000 4.396 3.834 5.017 0.017 15 0 "[ . 1 . 2 .]" 1
729 1 9 TYR QD 1 52 ILE MD 2.500 . 3.200 2.250 2.044 2.557 . 0 0 "[ . 1 . 2 .]" 1
730 1 9 TYR QD 1 52 ILE QG 3.000 . 3.300 3.146 2.251 3.488 0.188 21 0 "[ . 1 . 2 .]" 1
731 1 9 TYR QE 1 52 ILE MD 3.000 . 3.800 3.755 3.484 3.937 0.137 21 0 "[ . 1 . 2 .]" 1
732 1 9 TYR QE 1 52 ILE QG 4.000 . 5.000 4.000 3.502 4.534 . 0 0 "[ . 1 . 2 .]" 1
733 1 10 ILE MD 1 55 ASN HA 4.000 . 5.000 4.787 3.968 5.115 0.115 6 0 "[ . 1 . 2 .]" 1
734 1 10 ILE MD 1 55 ASN QB 4.000 . 5.000 3.173 2.309 4.093 . 0 0 "[ . 1 . 2 .]" 1
735 1 10 ILE MD 1 59 ASN QB 4.000 . 5.000 3.998 3.136 4.872 . 0 0 "[ . 1 . 2 .]" 1
736 1 12 LEU HA 1 34 ILE MD 4.000 . 5.000 4.931 4.227 5.126 0.126 12 0 "[ . 1 . 2 .]" 1
737 1 12 LEU HB3 1 34 ILE MD 4.000 . 5.000 2.965 2.397 3.462 . 0 0 "[ . 1 . 2 .]" 1
738 1 12 LEU HB2 1 34 ILE MD 4.000 . 5.000 3.576 2.905 4.624 . 0 0 "[ . 1 . 2 .]" 1
739 1 12 LEU QD 1 34 ILE HA 4.000 . 5.000 4.136 3.503 4.792 . 0 0 "[ . 1 . 2 .]" 1
740 1 12 LEU QD 1 34 ILE MG 3.000 . 4.300 2.867 2.440 3.291 . 0 0 "[ . 1 . 2 .]" 1
741 1 12 LEU QD 1 34 ILE MD 2.500 . 3.700 3.142 2.531 3.824 0.124 8 0 "[ . 1 . 2 .]" 1
742 1 12 LEU QD 1 34 ILE QG 4.000 . 5.000 3.048 2.339 4.130 . 0 0 "[ . 1 . 2 .]" 1
743 1 12 LEU QD 1 38 PHE QE 2.500 . 3.200 2.653 2.258 3.184 . 0 0 "[ . 1 . 2 .]" 1
744 1 12 LEU QD 1 41 TYR QD 4.000 . 5.000 4.552 4.186 4.879 . 0 0 "[ . 1 . 2 .]" 1
745 1 12 LEU HB3 1 52 ILE MD 4.000 . 5.000 4.209 3.863 4.595 . 0 0 "[ . 1 . 2 .]" 1
746 1 13 ILE MG 1 25 ILE MG 4.000 . 5.000 4.688 4.115 5.019 0.019 20 0 "[ . 1 . 2 .]" 1
747 1 13 ILE MG 1 27 LEU QD 4.000 . 5.000 4.609 4.184 5.031 0.031 2 0 "[ . 1 . 2 .]" 1
748 1 13 ILE HA 1 30 ILE MG 3.000 . 3.800 2.968 2.687 3.292 . 0 0 "[ . 1 . 2 .]" 1
749 1 13 ILE MG 1 30 ILE MG 3.000 . 4.300 2.885 2.532 3.547 . 0 0 "[ . 1 . 2 .]" 1
750 1 13 ILE MG 1 30 ILE MD 2.500 . 3.700 2.613 2.371 2.975 . 0 0 "[ . 1 . 2 .]" 1
751 1 13 ILE QG 1 30 ILE MG 4.000 . 5.000 2.899 2.350 3.568 . 0 0 "[ . 1 . 2 .]" 1
752 1 13 ILE H 1 52 ILE MD 4.000 . 5.000 4.350 4.052 4.693 . 0 0 "[ . 1 . 2 .]" 1
753 1 13 ILE MG 1 52 ILE MG 4.000 . 5.000 3.743 3.434 4.129 . 0 0 "[ . 1 . 2 .]" 1
754 1 13 ILE MG 1 52 ILE MD 4.000 . 5.000 4.512 4.136 5.051 0.051 15 0 "[ . 1 . 2 .]" 1
755 1 13 ILE MD 1 52 ILE H 6.000 . 8.000 5.305 4.966 5.949 . 0 0 "[ . 1 . 2 .]" 1
756 1 13 ILE MD 1 52 ILE HA 3.000 . 3.800 2.885 2.452 3.810 0.010 15 0 "[ . 1 . 2 .]" 1
757 1 13 ILE MD 1 52 ILE MD 2.500 . 3.700 2.584 2.191 3.645 . 0 0 "[ . 1 . 2 .]" 1
758 1 13 ILE MD 1 52 ILE QG 4.000 . 5.000 4.128 3.058 4.570 . 0 0 "[ . 1 . 2 .]" 1
759 1 13 ILE QG 1 52 ILE MD 2.500 . 3.200 2.615 2.240 3.030 . 0 0 "[ . 1 . 2 .]" 1
760 1 13 ILE MD 1 55 ASN QB 3.000 . 3.800 3.057 2.391 3.904 0.104 11 0 "[ . 1 . 2 .]" 1
761 1 13 ILE MG 1 56 LEU HA 4.000 . 5.000 4.779 4.218 5.105 0.105 4 0 "[ . 1 . 2 .]" 1
762 1 13 ILE MG 1 56 LEU QD 2.500 . 3.700 2.126 1.964 2.381 . 0 0 "[ . 1 . 2 .]" 1
763 1 13 ILE MD 1 56 LEU HA 4.000 . 5.000 4.146 3.750 4.651 . 0 0 "[ . 1 . 2 .]" 1
764 1 13 ILE MD 1 56 LEU QD 3.000 . 4.300 2.372 2.042 2.699 . 0 0 "[ . 1 . 2 .]" 1
765 1 13 ILE QG 1 56 LEU QD 6.000 . 8.000 3.385 3.020 3.695 . 0 0 "[ . 1 . 2 .]" 1
766 1 13 ILE MG 1 62 PHE QD 4.000 . 5.000 3.969 3.559 4.501 . 0 0 "[ . 1 . 2 .]" 1
767 1 13 ILE MG 1 62 PHE QE 4.000 . 5.000 2.927 2.159 3.980 . 0 0 "[ . 1 . 2 .]" 1
768 1 13 ILE MG 1 80 LEU QD 4.000 . 5.000 4.275 3.782 4.905 . 0 0 "[ . 1 . 2 .]" 1
769 1 14 THR HA 1 62 PHE QD 6.000 . 8.000 5.519 4.813 6.261 . 0 0 "[ . 1 . 2 .]" 1
770 1 14 THR HA 1 80 LEU QD 4.000 . 5.000 3.203 2.482 3.646 . 0 0 "[ . 1 . 2 .]" 1
771 1 14 THR HB 1 80 LEU QD 4.000 . 5.000 4.829 4.223 5.171 0.171 10 0 "[ . 1 . 2 .]" 1
772 1 16 ALA HA 1 25 ILE MD 4.000 . 5.000 4.749 4.011 5.028 0.028 4 0 "[ . 1 . 2 .]" 1
773 1 16 ALA MB 1 25 ILE MG 4.000 . 5.000 3.836 3.484 4.209 . 0 0 "[ . 1 . 2 .]" 1
774 1 16 ALA MB 1 30 ILE HA 2.500 . 3.200 3.082 2.637 3.324 0.124 1 0 "[ . 1 . 2 .]" 1
775 1 16 ALA MB 1 30 ILE MG 2.500 . 3.700 2.334 2.029 2.712 . 0 0 "[ . 1 . 2 .]" 1
776 1 16 ALA MB 1 30 ILE MD 3.000 . 4.300 3.599 3.229 3.941 . 0 0 "[ . 1 . 2 .]" 1
777 1 16 ALA MB 1 30 ILE QG 2.500 . 3.200 2.758 2.452 3.122 . 0 0 "[ . 1 . 2 .]" 1
778 1 16 ALA MB 1 33 PHE HB3 4.000 . 5.000 3.075 2.571 3.516 . 0 0 "[ . 1 . 2 .]" 1
779 1 16 ALA MB 1 33 PHE HB2 4.000 . 5.000 3.785 3.316 4.423 . 0 0 "[ . 1 . 2 .]" 1
780 1 16 ALA MB 1 33 PHE QB 3.000 . 3.800 2.945 2.490 3.387 . 0 0 "[ . 1 . 2 .]" 1
781 1 16 ALA MB 1 33 PHE QD 2.500 . 3.200 2.870 2.497 3.244 0.044 6 0 "[ . 1 . 2 .]" 1
782 1 16 ALA MB 1 34 ILE QG 4.000 . 5.000 3.421 2.918 4.398 . 0 0 "[ . 1 . 2 .]" 1
783 1 17 ILE MG 1 23 LYS HA 3.000 . 3.800 2.852 2.263 3.842 0.042 19 0 "[ . 1 . 2 .]" 1
784 1 17 ILE MG 1 23 LYS QD 2.500 . 3.200 2.809 2.173 3.511 0.311 18 0 "[ . 1 . 2 .]" 1
785 1 17 ILE MG 1 24 LYS HA 4.000 . 5.000 4.606 3.735 5.089 0.089 24 0 "[ . 1 . 2 .]" 1
786 1 17 ILE HA 1 25 ILE MG 2.500 . 3.200 2.957 2.643 3.250 0.050 23 0 "[ . 1 . 2 .]" 1
787 1 17 ILE MG 1 25 ILE H 6.000 . 8.000 4.464 3.770 5.024 . 0 0 "[ . 1 . 2 .]" 1
788 1 17 ILE MG 1 30 ILE MD 4.000 . 5.000 4.922 4.708 5.135 0.135 2 0 "[ . 1 . 2 .]" 1
789 1 17 ILE MD 1 56 LEU QD 4.000 . 5.000 3.812 3.092 4.471 . 0 0 "[ . 1 . 2 .]" 1
790 1 17 ILE MD 1 62 PHE HA 4.000 . 5.000 4.951 4.511 5.148 0.148 22 0 "[ . 1 . 2 .]" 1
791 1 17 ILE MD 1 62 PHE QD 4.000 . 5.000 2.964 2.510 3.806 . 0 0 "[ . 1 . 2 .]" 1
792 1 17 ILE MG 1 79 THR HA 2.500 . 3.200 2.733 2.284 3.223 0.023 21 0 "[ . 1 . 2 .]" 1
793 1 17 ILE MD 1 79 THR HA 3.000 . 3.800 3.384 2.895 3.822 0.022 13 0 "[ . 1 . 2 .]" 1
794 1 17 ILE MG 1 80 LEU HA 4.000 . 5.000 4.638 4.112 5.107 0.107 8 0 "[ . 1 . 2 .]" 1
795 1 17 ILE MD 1 80 LEU H 4.000 . 5.000 3.711 3.290 4.181 . 0 0 "[ . 1 . 2 .]" 1
796 1 17 ILE MD 1 80 LEU HA 4.000 . 5.000 4.063 3.354 4.803 . 0 0 "[ . 1 . 2 .]" 1
797 1 17 ILE MD 1 80 LEU QB 4.000 . 5.000 4.239 3.817 4.516 . 0 0 "[ . 1 . 2 .]" 1
798 1 17 ILE MD 1 80 LEU QD 3.000 . 4.300 2.266 1.910 2.930 . 0 0 "[ . 1 . 2 .]" 1
799 1 18 GLN HA 1 23 LYS QD 4.000 . 5.000 4.042 3.026 5.153 0.153 11 0 "[ . 1 . 2 .]" 1
800 1 18 GLN HA 1 23 LYS QE 4.000 . 5.000 4.001 2.614 4.933 . 0 0 "[ . 1 . 2 .]" 1
801 1 19 ASN QD 1 33 PHE QE 4.000 . 5.000 4.031 2.738 5.114 0.114 12 0 "[ . 1 . 2 .]" 1
802 1 20 ALA MB 1 25 ILE HA 4.000 . 5.000 4.495 3.829 4.955 . 0 0 "[ . 1 . 2 .]" 1
803 1 20 ALA MB 1 25 ILE MG 2.500 . 3.700 3.287 2.758 3.596 . 0 0 "[ . 1 . 2 .]" 1
804 1 20 ALA MB 1 25 ILE MD 2.500 . 3.700 2.315 2.084 2.608 . 0 0 "[ . 1 . 2 .]" 1
805 1 24 LYS QB 1 65 VAL QG 3.000 . 3.800 3.804 3.355 3.994 0.194 14 0 "[ . 1 . 2 .]" 1
806 1 24 LYS QG 1 65 VAL QG 3.000 . 3.800 2.820 2.398 3.249 . 0 0 "[ . 1 . 2 .]" 1
807 1 24 LYS QD 1 65 VAL QG 3.000 . 3.800 2.989 2.245 3.647 . 0 0 "[ . 1 . 2 .]" 1
808 1 24 LYS HA 1 77 TYR QB 4.000 . 5.000 3.053 2.367 4.329 . 0 0 "[ . 1 . 2 .]" 1
809 1 24 LYS HA 1 77 TYR QD 4.000 . 5.000 4.394 3.452 5.029 0.029 15 0 "[ . 1 . 2 .]" 1
810 1 24 LYS QB 1 77 TYR QD 2.500 . 2.700 2.696 2.257 2.935 0.235 8 0 "[ . 1 . 2 .]" 1
811 1 24 LYS QD 1 77 TYR QD 3.000 . 3.300 2.977 2.275 3.553 0.253 21 0 "[ . 1 . 2 .]" 1
812 1 24 LYS HA 1 79 THR HA 4.000 . 5.000 4.099 3.466 4.597 . 0 0 "[ . 1 . 2 .]" 1
813 1 24 LYS HA 1 79 THR HB 4.000 . 5.000 3.009 2.356 3.869 . 0 0 "[ . 1 . 2 .]" 1
814 1 24 LYS QB 1 79 THR HB 4.000 . 5.000 4.403 3.825 5.034 0.034 25 0 "[ . 1 . 2 .]" 1
815 1 24 LYS QG 1 79 THR HA 4.000 . 5.000 4.739 4.302 5.055 0.055 19 0 "[ . 1 . 2 .]" 1
816 1 24 LYS QG 1 79 THR HB 4.000 . 5.000 2.773 2.277 3.361 . 0 0 "[ . 1 . 2 .]" 1
817 1 24 LYS QE 1 79 THR MG 4.000 . 5.000 3.735 2.967 4.523 . 0 0 "[ . 1 . 2 .]" 1
818 1 25 ILE H 1 77 TYR QB 4.000 . 5.000 3.292 2.322 4.610 . 0 0 "[ . 1 . 2 .]" 1
819 1 25 ILE H 1 77 TYR QD 6.000 . 8.000 4.217 3.097 6.143 . 0 0 "[ . 1 . 2 .]" 1
820 1 25 ILE H 1 78 TRP H 4.000 . 5.000 2.550 1.993 4.103 . 0 0 "[ . 1 . 2 .]" 1
821 1 25 ILE MG 1 78 TRP HB3 4.000 . 5.000 3.971 3.355 4.649 . 0 0 "[ . 1 . 2 .]" 1
822 1 25 ILE MG 1 78 TRP HB2 4.000 . 5.000 2.766 2.297 3.388 . 0 0 "[ . 1 . 2 .]" 1
823 1 26 THR MG 1 67 ARG QD 4.000 . 5.000 4.666 4.103 5.064 0.064 10 0 "[ . 1 . 2 .]" 1
824 1 26 THR HA 1 77 TYR HA 4.000 . 5.000 2.768 2.393 3.726 . 0 0 "[ . 1 . 2 .]" 1
825 1 26 THR MG 1 77 TYR HA 4.000 . 5.000 3.614 2.505 4.124 . 0 0 "[ . 1 . 2 .]" 1
826 1 26 THR MG 1 77 TYR QD 2.500 . 3.200 2.734 2.100 3.342 0.142 9 0 "[ . 1 . 2 .]" 1
827 1 26 THR MG 1 77 TYR QE 2.500 . 3.200 2.652 2.130 3.227 0.027 6 0 "[ . 1 . 2 .]" 1
828 1 26 THR HA 1 78 TRP HD1 3.000 . 3.300 3.238 2.863 3.492 0.192 16 0 "[ . 1 . 2 .]" 1
829 1 27 LEU QD 1 52 ILE HB 4.000 . 5.000 4.501 3.592 5.130 0.130 25 0 "[ . 1 . 2 .]" 1
830 1 27 LEU HG 1 53 ARG HA 4.000 . 5.000 5.164 5.007 5.359 0.359 14 0 "[ . 1 . 2 .]" 1
831 1 27 LEU HG 1 53 ARG QB 4.000 . 5.000 4.421 3.140 5.163 0.163 25 0 "[ . 1 . 2 .]" 1
832 1 27 LEU HG 1 53 ARG QG 4.000 . 5.000 3.984 3.063 5.127 0.127 5 0 "[ . 1 . 2 .]" 1
833 1 27 LEU HG 1 53 ARG QD 3.000 . 3.300 3.495 3.316 3.714 0.414 7 0 "[ . 1 . 2 .]" 1
834 1 27 LEU QD 1 53 ARG QB 3.000 . 3.800 2.478 1.819 3.230 . 0 0 "[ . 1 . 2 .]" 1
835 1 27 LEU QD 1 53 ARG QG 4.000 . 5.000 2.511 1.862 3.394 . 0 0 "[ . 1 . 2 .]" 1
836 1 27 LEU QD 1 53 ARG QD 4.000 . 5.000 2.242 2.047 2.522 . 0 0 "[ . 1 . 2 .]" 1
837 1 27 LEU HA 1 56 LEU QD 4.000 . 5.000 3.847 3.460 4.208 . 0 0 "[ . 1 . 2 .]" 1
838 1 27 LEU HG 1 56 LEU QD 4.000 . 5.000 4.216 3.864 4.779 . 0 0 "[ . 1 . 2 .]" 1
839 1 27 LEU QD 1 56 LEU QD 2.500 . 3.700 1.977 1.805 2.442 . 0 0 "[ . 1 . 2 .]" 1
840 1 27 LEU HA 1 78 TRP HD1 4.000 . 5.000 3.558 2.895 4.207 . 0 0 "[ . 1 . 2 .]" 1
841 1 27 LEU HB2 1 78 TRP HD1 4.000 . 5.000 3.586 2.786 4.456 . 0 0 "[ . 1 . 2 .]" 1
842 1 30 ILE MG 1 56 LEU QD 4.000 . 5.000 3.664 3.103 4.111 . 0 0 "[ . 1 . 2 .]" 1
843 1 30 ILE MD 1 56 LEU QD 2.500 . 3.700 2.733 2.304 3.190 . 0 0 "[ . 1 . 2 .]" 1
844 1 31 TYR HA 1 48 TRP HZ2 6.000 . 8.000 5.433 4.616 5.998 . 0 0 "[ . 1 . 2 .]" 1
845 1 31 TYR HA 1 48 TRP HH2 4.000 . 5.000 3.112 2.285 3.591 . 0 0 "[ . 1 . 2 .]" 1
846 1 31 TYR HB2 1 48 TRP HH2 4.000 . 5.000 4.922 4.086 5.251 0.251 19 0 "[ . 1 . 2 .]" 1
847 1 31 TYR QE 1 48 TRP HE3 4.000 . 5.000 3.924 3.539 4.865 . 0 0 "[ . 1 . 2 .]" 1
848 1 31 TYR QD 1 49 GLN QG 4.000 . 5.000 3.704 2.850 4.529 . 0 0 "[ . 1 . 2 .]" 1
849 1 31 TYR QE 1 49 GLN HA 2.500 . 2.700 2.348 2.238 2.850 0.150 18 0 "[ . 1 . 2 .]" 1
850 1 31 TYR QE 1 49 GLN QB 4.000 . 5.000 4.006 2.958 4.293 . 0 0 "[ . 1 . 2 .]" 1
851 1 31 TYR QE 1 49 GLN QG 4.000 . 5.000 3.263 2.374 3.851 . 0 0 "[ . 1 . 2 .]" 1
852 1 31 TYR QD 1 52 ILE QG 4.000 . 5.000 3.828 3.401 5.148 0.148 15 0 "[ . 1 . 2 .]" 1
853 1 31 TYR QE 1 52 ILE H 4.000 . 5.000 3.992 3.672 4.401 . 0 0 "[ . 1 . 2 .]" 1
854 1 31 TYR QE 1 52 ILE HB 2.500 . 2.700 2.456 2.221 2.827 0.127 19 0 "[ . 1 . 2 .]" 1
855 1 31 TYR QE 1 52 ILE MG 2.500 . 3.200 3.057 2.587 3.267 0.067 6 0 "[ . 1 . 2 .]" 1
856 1 31 TYR QE 1 52 ILE QG 3.000 . 3.300 2.585 2.246 3.380 0.080 4 0 "[ . 1 . 2 .]" 1
857 1 31 TYR QE 1 53 ARG H 4.000 . 5.000 3.999 3.459 4.371 . 0 0 "[ . 1 . 2 .]" 1
858 1 34 ILE MG 1 41 TYR H 4.000 . 5.000 4.414 4.251 4.619 . 0 0 "[ . 1 . 2 .]" 1
859 1 34 ILE MG 1 41 TYR HA 4.000 . 5.000 5.108 4.940 5.264 0.264 6 0 "[ . 1 . 2 .]" 1
860 1 34 ILE MG 1 41 TYR QB 3.000 . 3.800 2.852 2.694 2.963 . 0 0 "[ . 1 . 2 .]" 1
861 1 34 ILE MG 1 41 TYR QD 4.000 . 5.000 2.933 2.169 3.223 . 0 0 "[ . 1 . 2 .]" 1
862 1 34 ILE MG 1 41 TYR QE 4.000 . 5.000 3.316 2.705 3.680 . 0 0 "[ . 1 . 2 .]" 1
863 1 34 ILE MD 1 41 TYR QD 6.000 . 8.000 4.970 4.671 6.177 . 0 0 "[ . 1 . 2 .]" 1
864 1 34 ILE HB 1 48 TRP HH2 4.000 . 5.000 2.938 2.392 3.672 . 0 0 "[ . 1 . 2 .]" 1
865 1 34 ILE MG 1 48 TRP HZ2 4.000 . 5.000 4.382 3.555 4.946 . 0 0 "[ . 1 . 2 .]" 1
866 1 34 ILE MG 1 48 TRP HH2 4.000 . 5.000 3.288 2.474 3.676 . 0 0 "[ . 1 . 2 .]" 1
867 1 34 ILE MD 1 48 TRP HH2 4.000 . 5.000 3.576 3.107 4.674 . 0 0 "[ . 1 . 2 .]" 1
868 1 34 ILE MG 1 52 ILE MD 4.000 . 5.000 3.870 3.310 4.959 . 0 0 "[ . 1 . 2 .]" 1
869 1 34 ILE MD 1 52 ILE QG 4.000 . 5.000 3.378 2.922 4.831 . 0 0 "[ . 1 . 2 .]" 1
870 1 35 MET HA 1 42 ARG HA 4.000 . 5.000 4.947 4.431 5.147 0.147 9 0 "[ . 1 . 2 .]" 1
871 1 35 MET HA 1 42 ARG QG 4.000 . 5.000 3.144 2.873 3.514 . 0 0 "[ . 1 . 2 .]" 1
872 1 35 MET QB 1 42 ARG HA 4.000 . 5.000 4.140 3.509 4.678 . 0 0 "[ . 1 . 2 .]" 1
873 1 35 MET QG 1 42 ARG HA 4.000 . 5.000 3.450 3.134 3.882 . 0 0 "[ . 1 . 2 .]" 1
874 1 35 MET HA 1 48 TRP HZ2 4.000 . 5.000 4.945 4.580 5.171 0.171 23 0 "[ . 1 . 2 .]" 1
875 1 35 MET ME 1 48 TRP HZ2 4.000 . 5.000 3.107 2.290 4.055 . 0 0 "[ . 1 . 2 .]" 1
876 1 35 MET ME 1 48 TRP HH2 4.000 . 5.000 2.867 2.294 3.407 . 0 0 "[ . 1 . 2 .]" 1
877 1 35 MET QG 1 48 TRP HZ2 2.500 . 2.700 2.600 2.177 2.825 0.125 1 0 "[ . 1 . 2 .]" 1
878 1 35 MET QG 1 48 TRP HH2 4.000 . 5.000 2.515 2.262 3.554 . 0 0 "[ . 1 . 2 .]" 1
879 1 41 TYR HA 1 48 TRP HD1 4.000 . 5.000 4.573 4.239 5.015 0.015 22 0 "[ . 1 . 2 .]" 1
880 1 41 TYR QB 1 48 TRP HD1 6.000 . 8.000 4.477 4.139 5.047 . 0 0 "[ . 1 . 2 .]" 1
881 1 41 TYR QD 1 48 TRP HD1 4.000 . 5.000 3.579 3.391 3.934 . 0 0 "[ . 1 . 2 .]" 1
882 1 41 TYR QD 1 48 TRP HE1 4.000 . 5.000 3.725 3.538 3.923 . 0 0 "[ . 1 . 2 .]" 1
883 1 41 TYR QE 1 48 TRP HA 4.000 . 5.000 5.050 4.855 5.240 0.240 13 0 "[ . 1 . 2 .]" 1
884 1 41 TYR QE 1 48 TRP HD1 4.000 . 5.000 5.101 4.988 5.190 0.190 25 0 "[ . 1 . 2 .]" 1
885 1 42 ARG HA 1 48 TRP HZ2 4.000 . 5.000 4.805 4.276 5.160 0.160 23 0 "[ . 1 . 2 .]" 1
886 1 56 LEU HA 1 62 PHE QB 4.000 . 5.000 4.106 3.237 4.622 . 0 0 "[ . 1 . 2 .]" 1
887 1 56 LEU HA 1 62 PHE QD 3.000 . 3.300 3.233 2.805 3.379 0.079 19 0 "[ . 1 . 2 .]" 1
888 1 56 LEU HB3 1 62 PHE QD 4.000 . 5.000 4.632 3.756 5.050 0.050 1 0 "[ . 1 . 2 .]" 1
889 1 56 LEU QD 1 62 PHE QB 4.000 . 5.000 2.997 2.239 3.729 . 0 0 "[ . 1 . 2 .]" 1
890 1 56 LEU QD 1 62 PHE QD 4.000 . 5.000 2.798 2.198 3.217 . 0 0 "[ . 1 . 2 .]" 1
891 1 56 LEU HB2 1 78 TRP HZ2 4.000 . 5.000 4.645 4.036 5.060 0.060 25 0 "[ . 1 . 2 .]" 1
892 1 56 LEU QD 1 78 TRP HB3 6.000 . 8.000 3.695 3.248 4.144 . 0 0 "[ . 1 . 2 .]" 1
893 1 56 LEU QD 1 78 TRP HB2 6.000 . 8.000 4.224 3.839 4.670 . 0 0 "[ . 1 . 2 .]" 1
894 1 56 LEU QD 1 78 TRP HD1 4.000 . 5.000 4.422 3.875 5.051 0.051 15 0 "[ . 1 . 2 .]" 1
895 1 56 LEU QD 1 78 TRP HE3 4.000 . 5.000 3.107 2.704 3.532 . 0 0 "[ . 1 . 2 .]" 1
896 1 56 LEU QD 1 78 TRP HZ2 4.000 . 5.000 3.797 3.226 4.286 . 0 0 "[ . 1 . 2 .]" 1
897 1 56 LEU QD 1 78 TRP HZ3 6.000 . 8.000 3.253 2.457 3.850 . 0 0 "[ . 1 . 2 .]" 1
898 1 56 LEU QD 1 78 TRP HH2 6.000 . 8.000 3.861 3.274 4.354 . 0 0 "[ . 1 . 2 .]" 1
899 1 57 SER HA 1 64 LYS QE 6.000 . 8.000 4.288 3.419 5.751 . 0 0 "[ . 1 . 2 .]" 1
900 1 57 SER QB 1 64 LYS QE 4.000 . 5.000 4.910 4.484 5.123 0.123 1 0 "[ . 1 . 2 .]" 1
901 1 57 SER HA 1 78 TRP HZ2 6.000 . 8.000 5.567 4.464 6.399 . 0 0 "[ . 1 . 2 .]" 1
902 1 57 SER HA 1 78 TRP HZ3 4.000 . 5.000 4.648 3.946 5.095 0.095 6 0 "[ . 1 . 2 .]" 1
903 1 57 SER HA 1 78 TRP HH2 4.000 . 5.000 3.569 2.676 4.191 . 0 0 "[ . 1 . 2 .]" 1
904 1 57 SER QB 1 78 TRP HZ2 6.000 . 8.000 5.723 4.439 6.587 . 0 0 "[ . 1 . 2 .]" 1
905 1 61 CYS QB 1 80 LEU QD 4.000 . 5.000 4.304 3.465 5.025 0.025 19 0 "[ . 1 . 2 .]" 1
906 1 61 CYS HA 1 81 ASP H 6.000 . 8.000 6.515 4.717 8.065 0.065 7 0 "[ . 1 . 2 .]" 1
907 1 62 PHE QB 1 78 TRP HE3 4.000 . 5.000 2.347 2.163 3.065 . 0 0 "[ . 1 . 2 .]" 1
908 1 62 PHE QB 1 78 TRP HH2 4.000 . 5.000 4.794 4.223 5.109 0.109 16 0 "[ . 1 . 2 .]" 1
909 1 62 PHE HA 1 80 LEU HA 4.000 . 5.000 3.343 2.462 3.919 . 0 0 "[ . 1 . 2 .]" 1
910 1 62 PHE HA 1 80 LEU QD 4.000 . 5.000 3.552 2.276 4.520 . 0 0 "[ . 1 . 2 .]" 1
911 1 62 PHE QD 1 80 LEU HA 4.000 . 5.000 3.563 2.647 4.738 . 0 0 "[ . 1 . 2 .]" 1
912 1 62 PHE QD 1 80 LEU HG 6.000 . 8.000 4.342 2.422 5.984 . 0 0 "[ . 1 . 2 .]" 1
913 1 62 PHE QD 1 80 LEU QB 6.000 . 8.000 4.909 3.866 5.582 . 0 0 "[ . 1 . 2 .]" 1
914 1 62 PHE QD 1 80 LEU QD 3.000 . 3.800 2.586 2.124 3.452 . 0 0 "[ . 1 . 2 .]" 1
915 1 62 PHE QE 1 80 LEU QD 2.500 . 3.200 2.485 2.142 3.182 . 0 0 "[ . 1 . 2 .]" 1
916 1 62 PHE HA 1 81 ASP H 6.000 . 8.000 4.564 3.426 5.665 . 0 0 "[ . 1 . 2 .]" 1
917 1 63 VAL H 1 79 THR H 6.000 . 8.000 3.374 2.873 4.088 . 0 0 "[ . 1 . 2 .]" 1
918 1 63 VAL H 1 79 THR MG 6.000 . 8.000 3.626 2.885 4.164 . 0 0 "[ . 1 . 2 .]" 1
919 1 63 VAL HB 1 79 THR MG 2.500 . 3.200 2.734 2.124 3.263 0.063 10 0 "[ . 1 . 2 .]" 1
920 1 63 VAL H 1 80 LEU HA 6.000 . 8.000 3.740 2.981 4.503 . 0 0 "[ . 1 . 2 .]" 1
921 1 63 VAL QG 1 80 LEU HA 4.000 . 5.000 4.056 2.739 5.111 0.111 25 0 "[ . 1 . 2 .]" 1
922 1 63 VAL QG 1 81 ASP HA 2.500 . 3.200 2.989 2.331 3.562 0.362 2 0 "[ . 1 . 2 .]" 1
923 1 63 VAL QG 1 81 ASP QB 3.000 . 3.800 3.194 1.856 4.054 0.254 8 0 "[ . 1 . 2 .]" 1
924 1 63 VAL QG 1 82 PRO QD 4.000 . 5.000 3.252 2.299 4.116 . 0 0 "[ . 1 . 2 .]" 1
925 1 64 LYS QG 1 76 SER QB 6.000 . 8.000 4.064 2.479 5.642 . 0 0 "[ . 1 . 2 .]" 1
926 1 64 LYS QD 1 76 SER QB 4.000 . 5.000 3.894 2.419 5.052 0.052 18 0 "[ . 1 . 2 .]" 1
927 1 64 LYS QE 1 76 SER QB 4.000 . 5.000 4.475 2.249 5.081 0.081 24 0 "[ . 1 . 2 .]" 1
928 1 64 LYS HA 1 78 TRP HA 3.000 . 3.300 3.053 2.291 3.485 0.185 22 0 "[ . 1 . 2 .]" 1
929 1 64 LYS HA 1 78 TRP HZ3 4.000 . 5.000 4.656 3.463 5.110 0.110 14 0 "[ . 1 . 2 .]" 1
930 1 64 LYS QB 1 78 TRP HZ2 4.000 . 5.000 4.790 3.440 5.220 0.220 4 0 "[ . 1 . 2 .]" 1
931 1 64 LYS QG 1 78 TRP HZ2 4.000 . 5.000 3.914 3.262 5.085 0.085 22 0 "[ . 1 . 2 .]" 1
932 1 64 LYS QD 1 78 TRP HZ2 4.000 . 5.000 3.879 2.324 4.852 . 0 0 "[ . 1 . 2 .]" 1
933 1 64 LYS QD 1 78 TRP HZ3 4.000 . 5.000 4.519 2.947 5.161 0.161 1 0 "[ . 1 . 2 .]" 1
934 1 64 LYS QE 1 78 TRP HZ2 3.000 . 3.300 2.953 2.379 3.392 0.092 10 0 "[ . 1 . 2 .]" 1
935 1 64 LYS QE 1 78 TRP HZ3 4.000 . 5.000 3.853 3.071 4.936 . 0 0 "[ . 1 . 2 .]" 1
936 1 64 LYS HA 1 79 THR H 4.000 . 5.000 4.088 2.920 4.535 . 0 0 "[ . 1 . 2 .]" 1
937 1 64 LYS HA 1 79 THR MG 4.000 . 5.000 4.455 3.161 5.005 0.005 12 0 "[ . 1 . 2 .]" 1
938 1 65 VAL H 1 77 TYR QB 4.000 . 5.000 3.663 2.517 4.302 . 0 0 "[ . 1 . 2 .]" 1
939 1 65 VAL HB 1 77 TYR QB 3.000 . 3.300 2.674 2.189 3.517 0.217 1 0 "[ . 1 . 2 .]" 1
940 1 65 VAL HB 1 77 TYR QD 4.000 . 5.000 3.605 2.672 4.894 . 0 0 "[ . 1 . 2 .]" 1
941 1 65 VAL QG 1 77 TYR HA 4.000 . 5.000 4.514 3.975 5.109 0.109 7 0 "[ . 1 . 2 .]" 1
942 1 65 VAL QG 1 77 TYR QB 2.500 . 3.200 2.518 2.050 3.100 . 0 0 "[ . 1 . 2 .]" 1
943 1 65 VAL QG 1 77 TYR QD 3.000 . 3.800 3.313 2.580 3.853 0.053 15 0 "[ . 1 . 2 .]" 1
944 1 65 VAL H 1 78 TRP HA 6.000 . 8.000 3.565 2.886 4.014 . 0 0 "[ . 1 . 2 .]" 1
945 1 65 VAL QG 1 78 TRP H 4.000 . 5.000 4.236 3.350 4.753 . 0 0 "[ . 1 . 2 .]" 1
946 1 65 VAL QG 1 78 TRP HA 4.000 . 5.000 3.350 2.503 3.866 . 0 0 "[ . 1 . 2 .]" 1
947 1 65 VAL H 1 79 THR MG 4.000 . 5.000 4.333 3.137 4.889 . 0 0 "[ . 1 . 2 .]" 1
948 1 65 VAL QG 1 79 THR H 4.000 . 5.000 3.358 2.710 4.026 . 0 0 "[ . 1 . 2 .]" 1
949 1 65 VAL QG 1 79 THR HA 4.000 . 5.000 4.690 4.128 5.042 0.042 23 0 "[ . 1 . 2 .]" 1
950 1 65 VAL QG 1 79 THR HB 3.000 . 3.800 3.095 2.533 3.623 . 0 0 "[ . 1 . 2 .]" 1
951 1 65 VAL QG 1 79 THR MG 2.500 . 3.700 2.029 1.894 2.271 . 0 0 "[ . 1 . 2 .]" 1
952 1 66 PRO HA 1 76 SER HA 3.000 . 3.300 2.989 2.339 3.506 0.206 10 0 "[ . 1 . 2 .]" 1
953 1 66 PRO HA 1 76 SER QB 4.000 . 5.000 3.244 2.234 5.028 0.028 7 0 "[ . 1 . 2 .]" 1
954 1 67 ARG QD 1 72 PRO HA 6.000 . 8.000 4.954 2.679 7.741 . 0 0 "[ . 1 . 2 .]" 1
955 1 67 ARG QD 1 74 LYS HA 4.000 . 5.000 4.544 2.280 5.098 0.098 22 0 "[ . 1 . 2 .]" 1
956 1 67 ARG H 1 76 SER HA 4.000 . 5.000 3.902 2.758 4.987 . 0 0 "[ . 1 . 2 .]" 1
957 1 67 ARG QG 1 76 SER HA 4.000 . 5.000 3.899 2.570 5.119 0.119 7 0 "[ . 1 . 2 .]" 1
958 1 67 ARG HA 1 77 TYR QD 4.000 . 5.000 3.911 2.750 4.677 . 0 0 "[ . 1 . 2 .]" 1
959 1 67 ARG HA 1 77 TYR QE 3.000 . 3.300 3.279 2.844 3.504 0.204 1 0 "[ . 1 . 2 .]" 1
960 1 67 ARG QB 1 77 TYR QD 4.000 . 5.000 4.435 2.616 5.303 0.303 7 0 "[ . 1 . 2 .]" 1
961 1 67 ARG QB 1 77 TYR QE 4.000 . 5.000 3.353 2.193 4.313 . 0 0 "[ . 1 . 2 .]" 1
962 1 67 ARG QD 1 77 TYR QD 4.000 . 5.000 4.652 3.792 5.102 0.102 6 0 "[ . 1 . 2 .]" 1
963 1 67 ARG QD 1 77 TYR QE 4.000 . 5.000 3.436 2.416 4.162 . 0 0 "[ . 1 . 2 .]" 1
964 1 68 ASP H 1 77 TYR QD 6.000 . 8.000 5.894 4.510 6.781 . 0 0 "[ . 1 . 2 .]" 1
965 1 87 MET ME 1 93 PHE QB 4.000 . 5.000 4.437 2.550 5.265 0.265 2 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 69
_Distance_constraint_stats_list.Viol_count 38
_Distance_constraint_stats_list.Viol_total 62.244
_Distance_constraint_stats_list.Viol_max 0.170
_Distance_constraint_stats_list.Viol_rms 0.0120
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0014
_Distance_constraint_stats_list.Viol_average_violations_only 0.0655
_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 5 PRO 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 8 SER 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 9 TYR 0.824 0.170 22 0 "[ . 1 . 2 .]"
1 10 ILE 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 12 LEU 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 13 ILE 0.049 0.029 7 0 "[ . 1 . 2 .]"
1 16 ALA 0.325 0.085 11 0 "[ . 1 . 2 .]"
1 17 ILE 0.326 0.085 11 0 "[ . 1 . 2 .]"
1 18 GLN 0.003 0.003 12 0 "[ . 1 . 2 .]"
1 20 ALA 0.003 0.003 12 0 "[ . 1 . 2 .]"
1 21 PRO 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 22 GLU 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 23 LYS 0.003 0.003 12 0 "[ . 1 . 2 .]"
1 24 LYS 0.166 0.084 21 0 "[ . 1 . 2 .]"
1 25 ILE 0.325 0.085 11 0 "[ . 1 . 2 .]"
1 26 THR 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 27 LEU 0.049 0.029 7 0 "[ . 1 . 2 .]"
1 29 GLY 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 30 ILE 0.049 0.029 7 0 "[ . 1 . 2 .]"
1 34 ILE 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 35 MET 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 37 ARG 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 38 PHE 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 39 PRO 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 42 ARG 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 43 GLU 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 44 ASN 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 45 LYS 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 46 GLN 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 48 TRP 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 49 GLN 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 51 SER 0.824 0.170 22 0 "[ . 1 . 2 .]"
1 52 ILE 0.824 0.170 22 0 "[ . 1 . 2 .]"
1 53 ARG 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 54 HIS 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 55 ASN 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 56 LEU 0.049 0.029 7 0 "[ . 1 . 2 .]"
1 57 SER 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 58 LEU 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 59 ASN 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 60 GLU 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 61 CYS 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 62 PHE 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 63 VAL 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 64 LYS 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 65 VAL 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 66 PRO 1.120 0.167 3 0 "[ . 1 . 2 .]"
1 68 ASP 1.287 0.167 3 0 "[ . 1 . 2 .]"
1 69 ASP 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 70 LYS 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 71 LYS 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 72 PRO 1.120 0.167 3 0 "[ . 1 . 2 .]"
1 77 TYR 0.166 0.084 21 0 "[ . 1 . 2 .]"
1 78 TRP 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 79 THR 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 80 LEU 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 81 ASP 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 82 PRO 0.000 0.000 . 0 "[ . 1 . 2 .]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 9 TYR HA 1 12 LEU QD 2.500 . 3.200 2.439 2.296 2.756 . 0 0 "[ . 1 . 2 .]" 2
2 1 9 TYR HA 1 37 ARG QB 4.000 . 5.500 3.479 3.218 3.741 . 0 0 "[ . 1 . 2 .]" 2
3 1 9 TYR HA 1 51 SER QB 4.000 . 5.500 5.353 4.837 5.670 0.170 22 0 "[ . 1 . 2 .]" 2
4 1 8 SER HA 1 9 TYR H 2.500 . 3.200 2.331 2.295 2.401 . 0 0 "[ . 1 . 2 .]" 2
5 1 8 SER HA 1 10 ILE H 3.000 . 4.000 3.407 3.356 3.447 . 0 0 "[ . 1 . 2 .]" 2
6 1 16 ALA MB 1 17 ILE MD 2.500 . 3.200 3.088 2.529 3.285 0.085 11 0 "[ . 1 . 2 .]" 2
7 1 17 ILE H 1 17 ILE HB 2.500 . 3.200 1.863 1.798 1.916 0.002 6 0 "[ . 1 . 2 .]" 2
8 1 17 ILE HB 1 18 GLN H 3.000 . 4.000 2.259 2.170 2.460 . 0 0 "[ . 1 . 2 .]" 2
9 1 18 GLN H 1 18 GLN QB 2.500 . 3.200 2.056 1.986 2.106 . 0 0 "[ . 1 . 2 .]" 2
10 1 17 ILE HB 1 25 ILE MG 4.000 . 5.500 2.570 2.276 2.970 . 0 0 "[ . 1 . 2 .]" 2
11 1 17 ILE MD 1 20 ALA MB 4.000 . 5.500 2.313 2.083 2.604 . 0 0 "[ . 1 . 2 .]" 2
12 1 17 ILE MD 1 20 ALA H 4.000 . 5.500 4.611 4.355 4.851 . 0 0 "[ . 1 . 2 .]" 2
13 1 20 ALA MB 1 21 PRO HD3 4.000 . 5.500 3.525 3.323 3.710 . 0 0 "[ . 1 . 2 .]" 2
14 1 12 LEU MD2 1 34 ILE HA 4.000 . 5.500 3.828 3.307 4.397 . 0 0 "[ . 1 . 2 .]" 2
15 1 12 LEU QB 1 34 ILE H 4.000 . 5.500 4.361 4.000 4.655 . 0 0 "[ . 1 . 2 .]" 2
16 1 12 LEU QB 1 30 ILE MG 2.500 . 3.200 2.327 2.027 2.686 . 0 0 "[ . 1 . 2 .]" 2
17 1 25 ILE MD 1 30 ILE H 4.000 . 5.500 3.153 3.026 3.378 . 0 0 "[ . 1 . 2 .]" 2
18 1 18 GLN H 1 20 ALA H 3.000 . 4.000 3.898 3.806 4.003 0.003 12 0 "[ . 1 . 2 .]" 2
19 1 13 ILE QG 1 25 ILE MG 2.500 . 3.200 2.363 2.149 2.704 . 0 0 "[ . 1 . 2 .]" 2
20 1 25 ILE MD 1 29 GLY H 4.000 . 5.500 4.354 4.114 4.608 . 0 0 "[ . 1 . 2 .]" 2
21 1 27 LEU HA 1 27 LEU QD 2.500 . 3.200 1.963 1.904 2.102 . 0 0 "[ . 1 . 2 .]" 2
22 1 27 LEU HA 1 27 LEU QD 2.500 . 3.200 2.031 1.981 2.194 . 0 0 "[ . 1 . 2 .]" 2
23 1 13 ILE QG 1 30 ILE HA 4.000 . 5.500 5.244 4.861 5.529 0.029 7 0 "[ . 1 . 2 .]" 2
24 1 12 LEU QD 1 34 ILE MG 3.000 . 4.000 2.849 2.437 3.244 . 0 0 "[ . 1 . 2 .]" 2
25 1 5 PRO QB 1 12 LEU QB 4.000 . 5.500 2.784 2.291 4.076 . 0 0 "[ . 1 . 2 .]" 2
26 1 35 MET HA 1 39 PRO HA 4.000 . 5.500 3.720 3.413 4.104 . 0 0 "[ . 1 . 2 .]" 2
27 1 37 ARG H 1 37 ARG HB2 2.500 . 3.200 2.279 1.987 2.621 . 0 0 "[ . 1 . 2 .]" 2
28 1 38 PHE HA 1 39 PRO QB 4.000 . 5.500 3.805 3.768 3.851 . 0 0 "[ . 1 . 2 .]" 2
29 1 38 PHE HA 1 38 PHE QB 2.500 . 3.200 1.961 1.931 2.009 . 0 0 "[ . 1 . 2 .]" 2
30 1 12 LEU QD 1 38 PHE QE 2.500 . 3.200 2.523 2.115 3.148 . 0 0 "[ . 1 . 2 .]" 2
31 1 5 PRO QB 1 38 PHE QD 4.000 . 5.500 3.305 2.887 3.788 . 0 0 "[ . 1 . 2 .]" 2
32 1 42 ARG QG 1 43 GLU H 3.000 . 4.000 2.361 2.240 2.593 . 0 0 "[ . 1 . 2 .]" 2
33 1 44 ASN HA 1 48 TRP HD1 4.000 . 5.500 4.132 4.050 4.259 . 0 0 "[ . 1 . 2 .]" 2
34 1 43 GLU QG 1 45 LYS H 4.000 . 5.500 4.288 3.819 4.562 . 0 0 "[ . 1 . 2 .]" 2
35 1 34 ILE MD 1 35 MET H 4.000 . 5.500 4.144 3.859 4.392 . 0 0 "[ . 1 . 2 .]" 2
36 1 49 GLN HA 1 52 ILE H 4.000 . 5.500 2.832 2.503 3.425 . 0 0 "[ . 1 . 2 .]" 2
37 1 13 ILE QG 1 52 ILE MD 3.000 . 4.000 2.609 2.239 3.019 . 0 0 "[ . 1 . 2 .]" 2
38 1 12 LEU QD 1 52 ILE MD 2.500 . 3.200 2.462 2.174 3.005 . 0 0 "[ . 1 . 2 .]" 2
39 1 13 ILE QG 1 52 ILE MD 4.000 . 5.500 2.597 2.236 2.986 . 0 0 "[ . 1 . 2 .]" 2
40 1 13 ILE QG 1 52 ILE MG 2.500 . 3.200 2.286 2.029 2.611 . 0 0 "[ . 1 . 2 .]" 2
41 1 27 LEU QD 1 53 ARG HA 4.000 . 5.500 2.391 2.218 2.765 . 0 0 "[ . 1 . 2 .]" 2
42 1 27 LEU QD 1 53 ARG QD 2.500 . 3.200 2.215 2.032 2.462 . 0 0 "[ . 1 . 2 .]" 2
43 1 52 ILE MG 1 54 HIS QB 4.000 . 5.500 3.586 2.234 4.592 . 0 0 "[ . 1 . 2 .]" 2
44 1 12 LEU QD 1 56 LEU HA 4.000 . 5.500 4.135 3.745 4.632 . 0 0 "[ . 1 . 2 .]" 2
45 1 57 SER QB 1 58 LEU QB 4.000 . 5.500 3.685 3.091 4.410 . 0 0 "[ . 1 . 2 .]" 2
46 1 54 HIS HA 1 57 SER QB 2.500 . 3.200 2.253 2.166 2.356 . 0 0 "[ . 1 . 2 .]" 2
47 1 51 SER H 1 52 ILE H 2.500 . 3.200 2.518 2.427 2.648 . 0 0 "[ . 1 . 2 .]" 2
48 1 52 ILE H 1 53 ARG H 2.500 . 3.200 2.437 2.320 2.598 . 0 0 "[ . 1 . 2 .]" 2
49 1 12 LEU QD 1 55 ASN QB 4.000 . 5.500 3.053 2.391 3.891 . 0 0 "[ . 1 . 2 .]" 2
50 1 58 LEU QB 1 59 ASN HA 4.000 . 5.500 3.873 3.806 3.923 . 0 0 "[ . 1 . 2 .]" 2
51 1 60 GLU HA 1 62 PHE H 4.000 . 5.500 3.249 3.033 3.352 . 0 0 "[ . 1 . 2 .]" 2
52 1 63 VAL HA 1 63 VAL QG 2.500 . 3.200 2.091 2.056 2.162 . 0 0 "[ . 1 . 2 .]" 2
53 1 24 LYS QD 1 63 VAL HA 4.000 . 5.500 4.897 4.313 5.245 . 0 0 "[ . 1 . 2 .]" 2
54 1 63 VAL QG 1 64 LYS HA 3.000 . 4.000 3.154 2.913 3.485 . 0 0 "[ . 1 . 2 .]" 2
55 1 66 PRO QB 1 68 ASP H 4.000 . 5.500 5.465 4.543 5.667 0.167 3 0 "[ . 1 . 2 .]" 2
56 1 65 VAL HA 1 68 ASP H 4.000 . 5.500 5.245 4.716 5.379 . 0 0 "[ . 1 . 2 .]" 2
57 1 69 ASP H 1 70 LYS QD 4.000 . 5.500 5.053 4.733 5.314 . 0 0 "[ . 1 . 2 .]" 2
58 1 25 ILE HA 1 77 TYR QD 3.000 . 4.000 2.970 2.296 3.711 . 0 0 "[ . 1 . 2 .]" 2
59 1 25 ILE HA 1 77 TYR QE 4.000 . 5.500 4.167 3.248 4.532 . 0 0 "[ . 1 . 2 .]" 2
60 1 24 LYS QE 1 77 TYR QD 4.000 . 5.500 4.531 4.021 5.187 . 0 0 "[ . 1 . 2 .]" 2
61 1 24 LYS QE 1 77 TYR QE 4.000 . 5.500 5.179 4.823 5.584 0.084 21 0 "[ . 1 . 2 .]" 2
62 1 27 LEU QD 1 78 TRP HD1 3.000 . 4.000 3.308 2.483 3.779 . 0 0 "[ . 1 . 2 .]" 2
63 1 26 THR HB 1 78 TRP HD1 4.000 . 5.500 3.189 2.633 3.934 . 0 0 "[ . 1 . 2 .]" 2
64 1 27 LEU QD 1 78 TRP HZ2 4.000 . 5.500 3.122 2.572 3.497 . 0 0 "[ . 1 . 2 .]" 2
65 1 24 LYS HA 1 79 THR HA 4.000 . 5.500 3.786 3.359 4.053 . 0 0 "[ . 1 . 2 .]" 2
66 1 61 CYS QB 1 80 LEU HA 4.000 . 5.500 4.357 3.917 4.812 . 0 0 "[ . 1 . 2 .]" 2
67 1 17 ILE MD 1 80 LEU HG 4.000 . 5.500 2.210 2.072 2.588 . 0 0 "[ . 1 . 2 .]" 2
68 1 17 ILE MG 1 80 LEU H 3.000 . 4.000 2.691 1.888 2.964 . 0 0 "[ . 1 . 2 .]" 2
69 1 63 VAL QG 1 82 PRO QD 3.000 . 4.000 3.181 2.298 3.932 . 0 0 "[ . 1 . 2 .]" 2
stop_
save_
save_distance_constraint_statistics_3
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 3
_Distance_constraint_stats_list.Constraint_count 36
_Distance_constraint_stats_list.Viol_count 87
_Distance_constraint_stats_list.Viol_total 130.019
_Distance_constraint_stats_list.Viol_max 0.197
_Distance_constraint_stats_list.Viol_rms 0.0225
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0058
_Distance_constraint_stats_list.Viol_average_violations_only 0.0598
_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 8 SER 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 9 TYR 0.005 0.005 14 0 "[ . 1 . 2 .]"
1 10 ILE 0.055 0.045 3 0 "[ . 1 . 2 .]"
1 11 ALA 0.035 0.028 3 0 "[ . 1 . 2 .]"
1 12 LEU 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 13 ILE 0.005 0.005 14 0 "[ . 1 . 2 .]"
1 14 THR 0.055 0.045 3 0 "[ . 1 . 2 .]"
1 15 MET 0.381 0.053 14 0 "[ . 1 . 2 .]"
1 16 ALA 0.397 0.171 10 0 "[ . 1 . 2 .]"
1 17 ILE 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 18 GLN 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 19 ASN 0.346 0.053 14 0 "[ . 1 . 2 .]"
1 20 ALA 0.397 0.171 10 0 "[ . 1 . 2 .]"
1 26 THR 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 27 LEU 3.458 0.197 24 0 "[ . 1 . 2 .]"
1 28 ASN 0.714 0.114 21 0 "[ . 1 . 2 .]"
1 29 GLY 0.022 0.022 10 0 "[ . 1 . 2 .]"
1 30 ILE 0.133 0.076 13 0 "[ . 1 . 2 .]"
1 31 TYR 3.458 0.197 24 0 "[ . 1 . 2 .]"
1 32 GLN 0.714 0.114 21 0 "[ . 1 . 2 .]"
1 33 PHE 0.054 0.032 2 0 "[ . 1 . 2 .]"
1 34 ILE 0.137 0.076 13 0 "[ . 1 . 2 .]"
1 35 MET 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 36 ASP 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 37 ARG 0.032 0.032 2 0 "[ . 1 . 2 .]"
1 38 PHE 0.004 0.004 8 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 8 SER O 1 12 LEU N 3.300 2.600 3.500 2.956 2.756 3.149 . 0 0 "[ . 1 . 2 .]" 3
2 1 8 SER O 1 12 LEU H 2.300 . 2.500 1.997 1.780 2.187 . 0 0 "[ . 1 . 2 .]" 3
3 1 9 TYR O 1 13 ILE N 3.300 2.600 3.500 3.165 2.887 3.429 . 0 0 "[ . 1 . 2 .]" 3
4 1 9 TYR O 1 13 ILE H 2.300 . 2.500 2.230 1.961 2.505 0.005 14 0 "[ . 1 . 2 .]" 3
5 1 10 ILE O 1 14 THR N 3.300 2.600 3.500 2.842 2.555 3.088 0.045 3 0 "[ . 1 . 2 .]" 3
6 1 10 ILE O 1 14 THR H 2.300 . 2.500 1.910 1.590 2.154 0.010 3 0 "[ . 1 . 2 .]" 3
7 1 11 ALA O 1 15 MET N 3.300 2.600 3.500 2.794 2.572 3.027 0.028 3 0 "[ . 1 . 2 .]" 3
8 1 11 ALA O 1 15 MET H 2.300 . 2.500 1.856 1.639 2.086 . 0 0 "[ . 1 . 2 .]" 3
9 1 12 LEU O 1 16 ALA N 3.300 2.600 3.500 3.006 2.874 3.278 . 0 0 "[ . 1 . 2 .]" 3
10 1 12 LEU O 1 16 ALA H 2.300 . 2.500 2.087 1.915 2.349 . 0 0 "[ . 1 . 2 .]" 3
11 1 13 ILE O 1 17 ILE N 3.300 2.600 3.500 3.215 3.015 3.414 . 0 0 "[ . 1 . 2 .]" 3
12 1 13 ILE O 1 17 ILE H 2.300 . 2.500 2.258 2.043 2.474 . 0 0 "[ . 1 . 2 .]" 3
13 1 14 THR O 1 18 GLN N 3.300 2.600 3.500 3.260 3.028 3.453 . 0 0 "[ . 1 . 2 .]" 3
14 1 14 THR O 1 18 GLN H 2.300 . 2.500 2.292 2.058 2.498 . 0 0 "[ . 1 . 2 .]" 3
15 1 15 MET O 1 19 ASN N 3.300 2.600 3.500 2.662 2.547 2.964 0.053 14 0 "[ . 1 . 2 .]" 3
16 1 15 MET O 1 19 ASN H 2.300 . 2.500 1.734 1.623 2.003 . 0 0 "[ . 1 . 2 .]" 3
17 1 16 ALA O 1 20 ALA N 3.300 2.600 3.500 2.830 2.616 3.029 . 0 0 "[ . 1 . 2 .]" 3
18 1 16 ALA O 1 20 ALA H 2.300 . 2.500 2.340 1.970 2.671 0.171 10 0 "[ . 1 . 2 .]" 3
19 1 26 THR O 1 30 ILE N 3.300 2.600 3.500 3.216 3.103 3.356 . 0 0 "[ . 1 . 2 .]" 3
20 1 26 THR O 1 30 ILE H 2.300 . 2.500 2.309 2.186 2.454 . 0 0 "[ . 1 . 2 .]" 3
21 1 27 LEU O 1 31 TYR N 3.300 2.600 3.500 3.529 3.459 3.597 0.097 24 0 "[ . 1 . 2 .]" 3
22 1 27 LEU O 1 31 TYR H 2.300 . 2.500 2.604 2.545 2.697 0.197 24 0 "[ . 1 . 2 .]" 3
23 1 28 ASN O 1 32 GLN N 3.300 2.600 3.500 3.397 3.270 3.556 0.056 21 0 "[ . 1 . 2 .]" 3
24 1 28 ASN O 1 32 GLN H 2.300 . 2.500 2.459 2.313 2.614 0.114 21 0 "[ . 1 . 2 .]" 3
25 1 29 GLY O 1 33 PHE N 3.300 2.600 3.500 3.275 3.004 3.447 . 0 0 "[ . 1 . 2 .]" 3
26 1 29 GLY O 1 33 PHE H 2.300 . 2.500 2.344 2.076 2.522 0.022 10 0 "[ . 1 . 2 .]" 3
27 1 30 ILE O 1 34 ILE N 3.300 2.600 3.500 3.300 3.131 3.522 0.022 13 0 "[ . 1 . 2 .]" 3
28 1 30 ILE O 1 34 ILE H 2.300 . 2.500 2.343 2.164 2.576 0.076 13 0 "[ . 1 . 2 .]" 3
29 1 31 TYR O 1 35 MET N 3.300 2.600 3.500 3.205 2.993 3.438 . 0 0 "[ . 1 . 2 .]" 3
30 1 31 TYR O 1 35 MET H 2.300 . 2.500 2.231 2.014 2.489 . 0 0 "[ . 1 . 2 .]" 3
31 1 32 GLN O 1 36 ASP N 3.300 2.600 3.500 3.033 2.706 3.324 . 0 0 "[ . 1 . 2 .]" 3
32 1 32 GLN O 1 36 ASP H 2.300 . 2.500 2.092 1.777 2.398 . 0 0 "[ . 1 . 2 .]" 3
33 1 33 PHE O 1 37 ARG N 3.300 2.600 3.500 2.960 2.568 3.350 0.032 2 0 "[ . 1 . 2 .]" 3
34 1 33 PHE O 1 37 ARG H 2.300 . 2.500 2.014 1.664 2.387 . 0 0 "[ . 1 . 2 .]" 3
35 1 34 ILE O 1 38 PHE N 3.300 2.600 3.500 2.827 2.596 3.094 0.004 8 0 "[ . 1 . 2 .]" 3
36 1 34 ILE O 1 38 PHE H 2.300 . 2.500 1.922 1.658 2.184 . 0 0 "[ . 1 . 2 .]" 3
stop_
save_
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