NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
451208 |
2rob   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2rob
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 958
_Distance_constraint_stats_list.Viol_count 1389
_Distance_constraint_stats_list.Viol_total 3869.221
_Distance_constraint_stats_list.Viol_max 1.357
_Distance_constraint_stats_list.Viol_rms 0.0486
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0101
_Distance_constraint_stats_list.Viol_average_violations_only 0.1393
_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 ASP 3.496 0.179 19 0 "[ . 1 . 2]"
1 2 ALA 3.610 0.275 10 0 "[ . 1 . 2]"
1 3 GLU 10.409 0.416 14 0 "[ . 1 . 2]"
1 4 GLU 3.232 0.474 20 0 "[ . 1 . 2]"
1 5 GLU 2.824 0.275 10 0 "[ . 1 . 2]"
1 6 LEU 0.762 0.112 13 0 "[ . 1 . 2]"
1 7 LYS 1.074 0.119 14 0 "[ . 1 . 2]"
1 8 GLU 2.396 0.364 5 0 "[ . 1 . 2]"
1 9 ALA 0.726 0.364 5 0 "[ . 1 . 2]"
1 10 PHE 7.169 0.361 3 0 "[ . 1 . 2]"
1 11 LYS 0.444 0.099 6 0 "[ . 1 . 2]"
1 12 VAL 0.030 0.018 15 0 "[ . 1 . 2]"
1 13 PHE 3.798 0.416 9 0 "[ . 1 . 2]"
1 14 ASP 1.250 0.188 10 0 "[ . 1 . 2]"
1 15 LYS 1.901 0.251 19 0 "[ . 1 . 2]"
1 16 ASP 3.738 0.175 11 0 "[ . 1 . 2]"
1 17 GLN 3.738 0.175 11 0 "[ . 1 . 2]"
1 18 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 TYR 11.699 0.385 1 0 "[ . 1 . 2]"
1 21 ILE 10.868 0.416 9 0 "[ . 1 . 2]"
1 22 SER 0.361 0.104 7 0 "[ . 1 . 2]"
1 23 ALA 0.401 0.076 14 0 "[ . 1 . 2]"
1 24 SER 2.356 0.513 5 1 "[ + 1 . 2]"
1 25 GLU 6.856 0.461 20 0 "[ . 1 . 2]"
1 26 LEU 2.668 0.239 1 0 "[ . 1 . 2]"
1 27 ARG 4.258 0.513 5 1 "[ + 1 . 2]"
1 28 HIS 4.872 0.464 16 0 "[ . 1 . 2]"
1 29 VAL 1.672 0.322 6 0 "[ . 1 . 2]"
1 30 MET 3.187 0.239 1 0 "[ . 1 . 2]"
1 31 ILE 2.738 0.464 16 0 "[ . 1 . 2]"
1 32 ASN 6.705 0.341 16 0 "[ . 1 . 2]"
1 33 LEU 10.550 0.455 12 0 "[ . 1 . 2]"
1 34 GLY 6.744 0.455 12 0 "[ . 1 . 2]"
1 35 GLU 0.140 0.066 19 0 "[ . 1 . 2]"
1 36 LYS 1.562 0.357 19 0 "[ . 1 . 2]"
1 37 LEU 2.507 0.260 10 0 "[ . 1 . 2]"
1 38 THR 2.400 0.268 16 0 "[ . 1 . 2]"
1 39 ASP 0.058 0.026 16 0 "[ . 1 . 2]"
1 40 GLU 1.414 0.522 14 1 "[ . 1 +. 2]"
1 41 GLU 4.977 0.768 11 2 "[ . 1+ . - 2]"
1 42 VAL 2.121 0.253 1 0 "[ . 1 . 2]"
1 43 GLU 3.077 0.615 15 1 "[ . 1 + 2]"
1 44 GLN 3.348 1.357 15 1 "[ . 1 + 2]"
1 45 MET 9.843 0.463 14 0 "[ . 1 . 2]"
1 46 ILE 3.088 0.419 15 0 "[ . 1 . 2]"
1 47 LYS 9.973 1.357 15 1 "[ . 1 + 2]"
1 48 GLU 12.953 0.556 13 1 "[ . 1 + . 2]"
1 49 ALA 13.884 0.556 13 1 "[ . 1 + . 2]"
1 50 ASP 23.468 0.479 19 0 "[ . 1 . 2]"
1 51 LEU 12.873 0.479 19 0 "[ . 1 . 2]"
1 52 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 53 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 54 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 55 GLY 2.289 0.237 4 0 "[ . 1 . 2]"
1 56 GLN 15.523 0.495 16 0 "[ . 1 . 2]"
1 57 VAL 3.282 0.404 9 0 "[ . 1 . 2]"
1 58 ASN 6.286 0.495 16 0 "[ . 1 . 2]"
1 59 TYR 2.627 0.220 12 0 "[ . 1 . 2]"
1 60 GLU 7.770 0.263 18 0 "[ . 1 . 2]"
1 61 GLU 20.841 0.396 11 0 "[ . 1 . 2]"
1 62 PHE 4.364 0.208 10 0 "[ . 1 . 2]"
1 63 VAL 6.568 0.257 12 0 "[ . 1 . 2]"
1 64 LYS 9.996 0.263 18 0 "[ . 1 . 2]"
1 65 MET 6.143 0.224 20 0 "[ . 1 . 2]"
1 66 MET 1.202 0.208 10 0 "[ . 1 . 2]"
1 67 MET 2.693 0.351 9 0 "[ . 1 . 2]"
1 68 THR 2.436 0.438 20 0 "[ . 1 . 2]"
1 69 VAL 3.592 0.438 20 0 "[ . 1 . 2]"
1 70 ARG 2.365 0.210 16 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 1 ASP HA 1 2 ALA H 3.550 . 3.550 3.386 2.366 3.584 0.034 7 0 "[ . 1 . 2]" 1
2 1 1 ASP HA 1 2 ALA MB 5.090 . 5.090 4.909 4.146 5.058 . 0 0 "[ . 1 . 2]" 1
3 1 1 ASP HA 1 3 GLU H 4.480 . 4.480 4.532 4.260 4.646 0.166 5 0 "[ . 1 . 2]" 1
4 1 1 ASP HA 1 4 GLU QB 4.540 . 4.540 2.724 2.320 4.085 . 0 0 "[ . 1 . 2]" 1
5 1 1 ASP QB 1 2 ALA H 3.920 . 3.920 2.362 1.839 2.977 . 0 0 "[ . 1 . 2]" 1
6 1 1 ASP QB 1 5 GLU H 5.340 . 5.340 4.411 3.779 5.251 . 0 0 "[ . 1 . 2]" 1
7 1 1 ASP HB3 1 2 ALA HA 5.500 . 5.500 4.378 4.011 5.515 0.015 8 0 "[ . 1 . 2]" 1
8 1 1 ASP HB3 1 2 ALA H 4.650 . 4.650 2.940 1.847 3.896 . 0 0 "[ . 1 . 2]" 1
9 1 1 ASP HB3 1 3 GLU H 5.500 . 5.500 4.948 2.961 5.679 0.179 19 0 "[ . 1 . 2]" 1
10 1 1 ASP HB2 1 2 ALA HA 5.500 . 5.500 4.815 3.995 5.554 0.054 12 0 "[ . 1 . 2]" 1
11 1 1 ASP HB2 1 2 ALA H 4.650 . 4.650 2.977 2.413 3.857 . 0 0 "[ . 1 . 2]" 1
12 1 1 ASP HB2 1 3 GLU H 5.500 . 5.500 5.048 3.533 5.599 0.099 3 0 "[ . 1 . 2]" 1
13 1 2 ALA HA 1 5 GLU H 4.500 . 4.500 3.981 3.703 4.254 . 0 0 "[ . 1 . 2]" 1
14 1 2 ALA HA 1 5 GLU QB 4.450 . 4.450 3.063 2.641 3.427 . 0 0 "[ . 1 . 2]" 1
15 1 2 ALA HA 1 5 GLU HG3 5.500 . 5.500 4.853 4.250 5.775 0.275 10 0 "[ . 1 . 2]" 1
16 1 2 ALA HA 1 5 GLU HG2 5.500 . 5.500 4.966 4.199 5.647 0.147 12 0 "[ . 1 . 2]" 1
17 1 2 ALA H 1 2 ALA MB 3.350 . 3.350 2.228 2.181 2.264 . 0 0 "[ . 1 . 2]" 1
18 1 2 ALA H 1 3 GLU HB3 5.500 . 5.500 5.368 5.133 5.583 0.083 7 0 "[ . 1 . 2]" 1
19 1 2 ALA H 1 5 GLU QB 5.340 . 5.340 5.103 4.653 5.491 0.151 20 0 "[ . 1 . 2]" 1
20 1 2 ALA MB 1 3 GLU H 3.840 . 3.840 2.391 2.325 2.508 . 0 0 "[ . 1 . 2]" 1
21 1 2 ALA MB 1 3 GLU QG 5.060 . 5.060 4.927 4.637 5.276 0.216 18 0 "[ . 1 . 2]" 1
22 1 2 ALA MB 1 5 GLU H 5.500 . 5.500 5.114 4.926 5.266 . 0 0 "[ . 1 . 2]" 1
23 1 3 GLU HA 1 3 GLU QG 2.850 . 2.850 2.457 2.247 2.713 . 0 0 "[ . 1 . 2]" 1
24 1 3 GLU HA 1 6 LEU HG 5.500 . 5.500 4.629 3.855 5.580 0.080 10 0 "[ . 1 . 2]" 1
25 1 3 GLU HA 1 6 LEU H 3.890 . 3.890 3.730 3.342 3.883 . 0 0 "[ . 1 . 2]" 1
26 1 3 GLU HA 1 6 LEU QB 4.110 . 4.110 2.552 2.249 2.850 . 0 0 "[ . 1 . 2]" 1
27 1 3 GLU HA 1 6 LEU MD1 5.500 . 5.500 3.685 2.272 5.220 . 0 0 "[ . 1 . 2]" 1
28 1 3 GLU HA 1 6 LEU MD2 5.500 . 5.500 4.285 2.931 5.221 . 0 0 "[ . 1 . 2]" 1
29 1 3 GLU H 1 3 GLU HB3 3.050 . 3.050 2.816 2.607 2.993 . 0 0 "[ . 1 . 2]" 1
30 1 3 GLU H 1 3 GLU QG 3.620 . 3.620 3.901 3.767 4.036 0.416 14 0 "[ . 1 . 2]" 1
31 1 4 GLU HA 1 4 GLU QG 2.690 . 2.690 2.349 2.232 2.683 . 0 0 "[ . 1 . 2]" 1
32 1 4 GLU HA 1 4 GLU HG3 3.140 . 3.140 2.717 2.261 3.614 0.474 20 0 "[ . 1 . 2]" 1
33 1 4 GLU HA 1 4 GLU HG2 3.140 . 3.140 2.875 2.256 3.605 0.465 1 0 "[ . 1 . 2]" 1
34 1 4 GLU HA 1 7 LYS H 3.940 . 3.940 3.446 3.376 3.529 . 0 0 "[ . 1 . 2]" 1
35 1 4 GLU HA 1 7 LYS QB 3.540 . 3.540 2.781 2.565 3.118 . 0 0 "[ . 1 . 2]" 1
36 1 4 GLU HA 1 7 LYS HG3 5.500 . 5.500 4.712 3.485 5.619 0.119 14 0 "[ . 1 . 2]" 1
37 1 4 GLU HA 1 7 LYS HG2 5.500 . 5.500 4.962 4.029 5.500 . 19 0 "[ . 1 . 2]" 1
38 1 4 GLU HA 1 8 GLU H 4.500 . 4.500 4.141 3.696 4.493 . 0 0 "[ . 1 . 2]" 1
39 1 4 GLU H 1 4 GLU QB 3.120 . 3.120 2.332 2.271 2.414 . 0 0 "[ . 1 . 2]" 1
40 1 4 GLU H 1 4 GLU HB3 3.820 . 3.820 3.020 2.552 3.620 . 0 0 "[ . 1 . 2]" 1
41 1 4 GLU H 1 4 GLU HB2 3.820 . 3.820 2.495 2.409 2.649 . 0 0 "[ . 1 . 2]" 1
42 1 4 GLU H 1 4 GLU QG 4.650 . 4.650 3.413 2.280 4.076 . 0 0 "[ . 1 . 2]" 1
43 1 4 GLU H 1 4 GLU HG3 5.380 . 5.380 3.804 2.307 4.635 . 0 0 "[ . 1 . 2]" 1
44 1 4 GLU H 1 4 GLU HG2 5.380 . 5.380 4.101 2.380 4.673 . 0 0 "[ . 1 . 2]" 1
45 1 5 GLU HA 1 5 GLU QB 2.550 . 2.550 2.388 2.371 2.420 . 0 0 "[ . 1 . 2]" 1
46 1 5 GLU HA 1 8 GLU H 3.630 . 3.630 3.426 3.297 3.517 . 0 0 "[ . 1 . 2]" 1
47 1 5 GLU HA 1 8 GLU QB 2.630 . 2.630 2.659 2.541 2.741 0.111 19 0 "[ . 1 . 2]" 1
48 1 5 GLU HA 1 9 ALA H 4.500 . 4.500 3.743 3.315 4.157 . 0 0 "[ . 1 . 2]" 1
49 1 5 GLU H 1 5 GLU QB 2.990 . 2.990 2.428 2.237 2.557 . 0 0 "[ . 1 . 2]" 1
50 1 5 GLU H 1 5 GLU QG 4.530 . 4.530 2.711 1.929 4.080 . 0 0 "[ . 1 . 2]" 1
51 1 5 GLU H 1 5 GLU HG3 5.260 . 5.260 3.458 1.961 4.504 . 0 0 "[ . 1 . 2]" 1
52 1 5 GLU H 1 5 GLU HG2 5.260 . 5.260 3.239 1.939 4.667 . 0 0 "[ . 1 . 2]" 1
53 1 5 GLU H 1 6 LEU H 3.550 . 3.550 2.962 2.909 3.023 . 0 0 "[ . 1 . 2]" 1
54 1 5 GLU H 1 7 LYS QB 5.340 . 5.340 5.132 5.015 5.346 0.006 12 0 "[ . 1 . 2]" 1
55 1 5 GLU QB 1 6 LEU H 3.190 . 3.190 2.575 2.456 2.754 . 0 0 "[ . 1 . 2]" 1
56 1 5 GLU QB 1 6 LEU QB 4.450 . 4.450 4.127 3.838 4.431 . 0 0 "[ . 1 . 2]" 1
57 1 5 GLU HB3 1 6 LEU H 3.780 . 3.780 3.267 2.486 3.829 0.049 12 0 "[ . 1 . 2]" 1
58 1 5 GLU HB2 1 6 LEU H 3.780 . 3.780 3.077 2.529 3.892 0.112 13 0 "[ . 1 . 2]" 1
59 1 6 LEU HA 1 6 LEU QD 4.250 . 4.250 2.224 1.951 3.020 . 0 0 "[ . 1 . 2]" 1
60 1 6 LEU HA 1 9 ALA H 3.960 . 3.960 3.576 3.419 3.745 . 0 0 "[ . 1 . 2]" 1
61 1 6 LEU HA 1 9 ALA MB 3.850 . 3.850 2.719 2.423 2.986 . 0 0 "[ . 1 . 2]" 1
62 1 6 LEU HA 1 10 PHE H 5.500 . 5.500 3.826 3.545 4.091 . 0 0 "[ . 1 . 2]" 1
63 1 6 LEU H 1 6 LEU QB 3.270 . 3.270 2.258 2.129 2.366 . 0 0 "[ . 1 . 2]" 1
64 1 6 LEU H 1 6 LEU HB3 4.040 . 4.040 3.030 2.466 3.581 . 0 0 "[ . 1 . 2]" 1
65 1 6 LEU H 1 6 LEU HB2 4.040 . 4.040 2.401 2.175 2.622 . 0 0 "[ . 1 . 2]" 1
66 1 6 LEU H 1 6 LEU QD 4.420 . 4.420 3.472 3.103 3.757 . 0 0 "[ . 1 . 2]" 1
67 1 6 LEU H 1 6 LEU MD1 5.100 . 5.100 3.833 3.282 4.251 . 0 0 "[ . 1 . 2]" 1
68 1 6 LEU H 1 6 LEU MD2 5.100 . 5.100 4.001 3.501 4.321 . 0 0 "[ . 1 . 2]" 1
69 1 6 LEU H 1 7 LYS H 3.150 . 3.150 2.730 2.699 2.778 . 0 0 "[ . 1 . 2]" 1
70 1 6 LEU H 1 8 GLU H 4.370 . 4.370 4.105 4.027 4.192 . 0 0 "[ . 1 . 2]" 1
71 1 6 LEU QB 1 7 LYS H 3.470 . 3.470 2.533 2.465 2.610 . 0 0 "[ . 1 . 2]" 1
72 1 6 LEU QB 1 59 TYR QE 5.320 . 5.320 3.399 2.300 4.406 . 0 0 "[ . 1 . 2]" 1
73 1 6 LEU QB 1 63 VAL QG 5.280 . 5.280 3.817 2.661 4.545 . 0 0 "[ . 1 . 2]" 1
74 1 6 LEU HB3 1 7 LYS H 4.030 . 4.030 2.923 2.508 3.506 . 0 0 "[ . 1 . 2]" 1
75 1 6 LEU HB2 1 7 LYS H 4.030 . 4.030 3.302 2.578 3.928 . 0 0 "[ . 1 . 2]" 1
76 1 6 LEU QD 1 7 LYS HA 5.340 . 5.340 4.180 2.670 5.098 . 0 0 "[ . 1 . 2]" 1
77 1 6 LEU QD 1 9 ALA H 5.440 . 5.440 4.632 4.153 5.038 . 0 0 "[ . 1 . 2]" 1
78 1 6 LEU QD 1 62 PHE QD 3.770 . 3.770 2.977 2.289 3.771 0.001 9 0 "[ . 1 . 2]" 1
79 1 6 LEU QD 1 63 VAL HA 4.490 . 4.490 3.085 2.584 3.501 . 0 0 "[ . 1 . 2]" 1
80 1 6 LEU QD 1 63 VAL HB 4.810 . 4.810 3.726 2.468 4.637 . 0 0 "[ . 1 . 2]" 1
81 1 6 LEU QD 1 66 MET ME 3.990 . 3.990 2.836 1.902 3.443 . 0 0 "[ . 1 . 2]" 1
82 1 6 LEU MD1 1 63 VAL HB 5.500 . 5.500 4.431 2.972 5.575 0.075 6 0 "[ . 1 . 2]" 1
83 1 6 LEU MD2 1 63 VAL HB 5.500 . 5.500 4.239 2.490 5.565 0.065 5 0 "[ . 1 . 2]" 1
84 1 7 LYS HA 1 10 PHE H 3.890 . 3.890 3.704 3.609 3.829 . 0 0 "[ . 1 . 2]" 1
85 1 7 LYS HA 1 10 PHE HB3 4.070 . 4.070 2.858 2.672 2.997 . 0 0 "[ . 1 . 2]" 1
86 1 7 LYS HA 1 10 PHE HB2 4.070 . 4.070 3.606 3.330 3.891 . 0 0 "[ . 1 . 2]" 1
87 1 7 LYS HA 1 11 LYS H 4.500 . 4.500 4.199 3.895 4.333 . 0 0 "[ . 1 . 2]" 1
88 1 7 LYS HA 1 59 TYR QD 5.060 . 5.060 4.401 3.702 5.073 0.013 10 0 "[ . 1 . 2]" 1
89 1 7 LYS HA 1 59 TYR QE 3.540 . 3.540 2.922 2.416 3.438 . 0 0 "[ . 1 . 2]" 1
90 1 7 LYS H 1 7 LYS QB 3.590 . 3.590 2.284 2.147 2.357 . 0 0 "[ . 1 . 2]" 1
91 1 7 LYS H 1 7 LYS HG3 5.500 . 5.500 3.751 2.338 4.567 . 0 0 "[ . 1 . 2]" 1
92 1 7 LYS H 1 7 LYS HG2 5.500 . 5.500 3.871 2.427 4.652 . 0 0 "[ . 1 . 2]" 1
93 1 7 LYS H 1 8 GLU H 3.290 . 3.290 2.681 2.643 2.714 . 0 0 "[ . 1 . 2]" 1
94 1 7 LYS QB 1 8 GLU H 3.810 . 3.810 2.636 2.517 2.751 . 0 0 "[ . 1 . 2]" 1
95 1 7 LYS QB 1 59 TYR QE 5.030 . 5.030 4.406 3.691 5.058 0.028 4 0 "[ . 1 . 2]" 1
96 1 7 LYS HG3 1 59 TYR QE 5.500 . 5.500 4.446 3.611 5.585 0.085 16 0 "[ . 1 . 2]" 1
97 1 7 LYS HG2 1 59 TYR QE 5.500 . 5.500 4.577 3.062 5.548 0.048 1 0 "[ . 1 . 2]" 1
98 1 8 GLU HA 1 8 GLU QG 3.370 . 3.370 2.395 2.255 2.815 . 0 0 "[ . 1 . 2]" 1
99 1 8 GLU HA 1 11 LYS H 4.320 . 4.320 3.379 3.277 3.483 . 0 0 "[ . 1 . 2]" 1
100 1 8 GLU HA 1 11 LYS QB 2.930 . 2.930 2.677 2.554 2.982 0.052 6 0 "[ . 1 . 2]" 1
101 1 8 GLU HA 1 11 LYS QG 4.670 . 4.670 3.980 2.349 4.755 0.085 11 0 "[ . 1 . 2]" 1
102 1 8 GLU HA 1 12 VAL H 4.500 . 4.500 4.408 4.160 4.509 0.009 1 0 "[ . 1 . 2]" 1
103 1 8 GLU H 1 8 GLU QB 2.730 . 2.730 2.267 2.216 2.408 . 0 0 "[ . 1 . 2]" 1
104 1 8 GLU H 1 8 GLU HB3 3.310 . 3.310 2.698 2.531 3.565 0.255 3 0 "[ . 1 . 2]" 1
105 1 8 GLU H 1 8 GLU HB2 3.310 . 3.310 2.475 2.344 2.549 . 0 0 "[ . 1 . 2]" 1
106 1 8 GLU H 1 9 ALA HA 5.500 . 5.500 5.285 5.206 5.403 . 0 0 "[ . 1 . 2]" 1
107 1 8 GLU H 1 9 ALA H 2.940 . 2.940 2.699 2.615 2.846 . 0 0 "[ . 1 . 2]" 1
108 1 8 GLU H 1 10 PHE H 4.490 . 4.490 4.105 4.019 4.187 . 0 0 "[ . 1 . 2]" 1
109 1 8 GLU QB 1 9 ALA H 3.620 . 3.620 2.303 2.182 2.372 . 0 0 "[ . 1 . 2]" 1
110 1 8 GLU QG 1 9 ALA HA 5.340 . 5.340 4.056 3.479 5.704 0.364 5 0 "[ . 1 . 2]" 1
111 1 8 GLU QG 1 9 ALA H 5.050 . 5.050 3.655 3.302 4.216 . 0 0 "[ . 1 . 2]" 1
112 1 9 ALA HA 1 12 VAL HB 3.660 . 3.660 2.779 2.599 2.926 . 0 0 "[ . 1 . 2]" 1
113 1 9 ALA HA 1 12 VAL H 4.050 . 4.050 3.331 3.262 3.420 . 0 0 "[ . 1 . 2]" 1
114 1 9 ALA HA 1 12 VAL MG2 3.920 . 3.920 2.897 2.708 3.267 . 0 0 "[ . 1 . 2]" 1
115 1 9 ALA H 1 9 ALA MB 3.050 . 3.050 2.201 2.138 2.250 . 0 0 "[ . 1 . 2]" 1
116 1 9 ALA H 1 10 PHE H 3.830 . 3.830 2.838 2.816 2.858 . 0 0 "[ . 1 . 2]" 1
117 1 9 ALA H 1 12 VAL H 5.500 . 5.500 4.764 4.641 4.832 . 0 0 "[ . 1 . 2]" 1
118 1 9 ALA H 1 12 VAL MG2 5.500 . 5.500 4.446 4.375 4.630 . 0 0 "[ . 1 . 2]" 1
119 1 9 ALA MB 1 10 PHE H 3.640 . 3.640 2.425 2.331 2.485 . 0 0 "[ . 1 . 2]" 1
120 1 9 ALA MB 1 12 VAL MG1 5.500 . 5.500 4.805 4.686 4.987 . 0 0 "[ . 1 . 2]" 1
121 1 10 PHE HA 1 10 PHE QD 3.780 . 3.780 2.937 2.754 3.060 . 0 0 "[ . 1 . 2]" 1
122 1 10 PHE HA 1 13 PHE H 5.500 . 5.500 3.398 3.227 3.498 . 0 0 "[ . 1 . 2]" 1
123 1 10 PHE HA 1 13 PHE QB 5.340 . 5.340 2.961 2.322 3.314 . 0 0 "[ . 1 . 2]" 1
124 1 10 PHE HA 1 13 PHE QD 4.000 . 4.000 2.860 2.272 4.045 0.045 13 0 "[ . 1 . 2]" 1
125 1 10 PHE HA 1 14 ASP H 5.500 . 5.500 4.205 3.981 4.512 . 0 0 "[ . 1 . 2]" 1
126 1 10 PHE HA 1 21 ILE MD 4.550 . 4.550 3.125 2.913 3.445 . 0 0 "[ . 1 . 2]" 1
127 1 10 PHE H 1 10 PHE HB3 3.650 . 3.650 2.561 2.492 2.627 . 0 0 "[ . 1 . 2]" 1
128 1 10 PHE H 1 10 PHE HB2 3.650 . 3.650 2.509 2.448 2.575 . 0 0 "[ . 1 . 2]" 1
129 1 10 PHE H 1 10 PHE QD 5.500 . 5.500 4.182 4.171 4.189 . 0 0 "[ . 1 . 2]" 1
130 1 10 PHE H 1 11 LYS H 4.550 . 4.550 2.762 2.713 2.797 . 0 0 "[ . 1 . 2]" 1
131 1 10 PHE H 1 13 PHE QD 5.500 . 5.500 4.757 4.455 5.306 . 0 0 "[ . 1 . 2]" 1
132 1 10 PHE H 1 59 TYR QE 5.500 . 5.500 4.674 4.197 5.233 . 0 0 "[ . 1 . 2]" 1
133 1 10 PHE H 1 62 PHE QD 5.500 . 5.500 5.373 5.010 5.615 0.115 6 0 "[ . 1 . 2]" 1
134 1 10 PHE HZ 1 19 GLY QA 4.800 . 4.800 3.855 3.385 4.326 . 0 0 "[ . 1 . 2]" 1
135 1 10 PHE HZ 1 20 TYR HA 3.870 . 3.870 2.567 2.302 3.186 . 0 0 "[ . 1 . 2]" 1
136 1 10 PHE HZ 1 21 ILE H 5.500 . 5.500 3.306 2.902 3.950 . 0 0 "[ . 1 . 2]" 1
137 1 10 PHE HZ 1 21 ILE HG12 3.930 . 3.930 3.890 3.122 4.078 0.148 18 0 "[ . 1 . 2]" 1
138 1 10 PHE HZ 1 59 TYR H 5.500 . 5.500 3.725 3.045 4.504 . 0 0 "[ . 1 . 2]" 1
139 1 10 PHE HZ 1 59 TYR QD 5.110 . 5.110 4.720 4.271 5.155 0.045 18 0 "[ . 1 . 2]" 1
140 1 10 PHE QB 1 11 LYS H 3.540 . 3.540 2.504 2.437 2.556 . 0 0 "[ . 1 . 2]" 1
141 1 10 PHE QB 1 11 LYS QB 5.180 . 5.180 4.087 3.861 4.448 . 0 0 "[ . 1 . 2]" 1
142 1 10 PHE QB 1 21 ILE MD 5.340 . 5.340 3.931 3.776 4.242 . 0 0 "[ . 1 . 2]" 1
143 1 10 PHE QB 1 59 TYR QD 4.250 . 4.250 3.022 2.474 3.707 . 0 0 "[ . 1 . 2]" 1
144 1 10 PHE QB 1 59 TYR QE 3.360 . 3.360 2.952 2.419 3.377 0.017 6 0 "[ . 1 . 2]" 1
145 1 10 PHE QB 1 62 PHE QD 3.590 . 3.590 3.612 3.331 3.719 0.129 2 0 "[ . 1 . 2]" 1
146 1 10 PHE HB3 1 11 LYS H 4.130 . 4.130 2.537 2.466 2.592 . 0 0 "[ . 1 . 2]" 1
147 1 10 PHE HB2 1 11 LYS H 4.130 . 4.130 3.853 3.799 3.905 . 0 0 "[ . 1 . 2]" 1
148 1 10 PHE QD 1 11 LYS HA 4.680 . 4.680 2.898 2.644 3.166 . 0 0 "[ . 1 . 2]" 1
149 1 10 PHE QD 1 11 LYS H 5.500 . 5.500 3.254 3.047 3.375 . 0 0 "[ . 1 . 2]" 1
150 1 10 PHE QD 1 11 LYS QB 5.160 . 5.160 3.970 3.548 4.497 . 0 0 "[ . 1 . 2]" 1
151 1 10 PHE QD 1 11 LYS QG 5.340 . 5.340 4.061 2.695 5.193 . 0 0 "[ . 1 . 2]" 1
152 1 10 PHE QD 1 14 ASP QB 5.340 . 5.340 3.529 2.733 4.532 . 0 0 "[ . 1 . 2]" 1
153 1 10 PHE QD 1 21 ILE MD 4.220 . 4.220 2.413 2.262 3.344 . 0 0 "[ . 1 . 2]" 1
154 1 10 PHE QD 1 21 ILE HG12 3.920 . 3.920 4.157 3.608 4.281 0.361 3 0 "[ . 1 . 2]" 1
155 1 10 PHE QD 1 59 TYR HA 4.560 . 4.560 3.299 2.924 3.804 . 0 0 "[ . 1 . 2]" 1
156 1 10 PHE QD 1 59 TYR QD 3.520 . 3.520 2.991 2.501 3.439 . 0 0 "[ . 1 . 2]" 1
157 1 10 PHE QD 1 62 PHE QB 3.820 . 3.820 3.067 2.661 3.307 . 0 0 "[ . 1 . 2]" 1
158 1 10 PHE QD 1 62 PHE QD 3.260 . 3.260 2.889 2.521 3.148 . 0 0 "[ . 1 . 2]" 1
159 1 10 PHE QE 1 11 LYS HA 4.490 . 4.490 4.324 3.980 4.498 0.008 13 0 "[ . 1 . 2]" 1
160 1 10 PHE QE 1 14 ASP QB 5.230 . 5.230 3.209 2.519 4.133 . 0 0 "[ . 1 . 2]" 1
161 1 10 PHE QE 1 19 GLY H 5.500 . 5.500 4.178 3.551 5.025 . 0 0 "[ . 1 . 2]" 1
162 1 10 PHE QE 1 19 GLY QA 4.390 . 4.390 2.737 2.516 3.211 . 0 0 "[ . 1 . 2]" 1
163 1 10 PHE QE 1 20 TYR HA 4.240 . 4.240 3.823 3.636 4.241 0.001 15 0 "[ . 1 . 2]" 1
164 1 10 PHE QE 1 20 TYR H 5.500 . 5.500 4.511 4.064 5.272 . 0 0 "[ . 1 . 2]" 1
165 1 10 PHE QE 1 21 ILE HB 4.790 . 4.790 4.226 3.681 4.415 . 0 0 "[ . 1 . 2]" 1
166 1 10 PHE QE 1 21 ILE H 5.500 . 5.500 3.614 3.368 4.173 . 0 0 "[ . 1 . 2]" 1
167 1 10 PHE QE 1 21 ILE MD 3.670 . 3.670 2.580 2.232 3.557 . 0 0 "[ . 1 . 2]" 1
168 1 10 PHE QE 1 21 ILE QG 4.260 . 4.260 2.303 2.159 2.493 . 0 0 "[ . 1 . 2]" 1
169 1 10 PHE QE 1 21 ILE HG12 4.770 . 4.770 3.506 2.436 3.694 . 0 0 "[ . 1 . 2]" 1
170 1 10 PHE QE 1 59 TYR HA 3.550 . 3.550 2.750 2.353 3.145 . 0 0 "[ . 1 . 2]" 1
171 1 10 PHE QE 1 59 TYR H 5.500 . 5.500 3.563 3.090 4.148 . 0 0 "[ . 1 . 2]" 1
172 1 10 PHE QE 1 59 TYR QB 4.340 . 4.340 3.657 3.278 4.248 . 0 0 "[ . 1 . 2]" 1
173 1 10 PHE QE 1 59 TYR QD 4.860 . 4.860 3.722 3.436 4.170 . 0 0 "[ . 1 . 2]" 1
174 1 10 PHE QE 1 62 PHE H 5.360 . 5.360 4.630 4.264 4.975 . 0 0 "[ . 1 . 2]" 1
175 1 11 LYS HA 1 11 LYS QG 3.340 . 3.340 2.486 2.288 3.439 0.099 6 0 "[ . 1 . 2]" 1
176 1 11 LYS HA 1 14 ASP H 4.100 . 4.100 3.544 3.420 3.786 . 0 0 "[ . 1 . 2]" 1
177 1 11 LYS H 1 11 LYS QB 3.130 . 3.130 2.283 2.130 2.422 . 0 0 "[ . 1 . 2]" 1
178 1 11 LYS H 1 11 LYS HB3 3.900 . 3.900 2.921 2.150 3.589 . 0 0 "[ . 1 . 2]" 1
179 1 11 LYS H 1 11 LYS HB2 3.900 . 3.900 2.490 2.318 3.472 . 0 0 "[ . 1 . 2]" 1
180 1 11 LYS H 1 11 LYS QG 4.740 . 4.740 3.328 2.168 4.054 . 0 0 "[ . 1 . 2]" 1
181 1 11 LYS H 1 11 LYS HG3 5.500 . 5.500 3.878 2.320 4.472 . 0 0 "[ . 1 . 2]" 1
182 1 11 LYS H 1 11 LYS HG2 5.500 . 5.500 3.819 2.197 4.642 . 0 0 "[ . 1 . 2]" 1
183 1 12 VAL HA 1 12 VAL MG1 3.720 . 3.720 2.354 2.288 2.423 . 0 0 "[ . 1 . 2]" 1
184 1 12 VAL HA 1 12 VAL MG2 3.610 . 3.610 2.330 2.257 2.389 . 0 0 "[ . 1 . 2]" 1
185 1 12 VAL HB 1 13 PHE H 3.900 . 3.900 2.633 2.494 3.046 . 0 0 "[ . 1 . 2]" 1
186 1 12 VAL HB 1 13 PHE QD 4.110 . 4.110 3.293 2.656 3.686 . 0 0 "[ . 1 . 2]" 1
187 1 12 VAL HB 1 13 PHE QE 4.920 . 4.920 3.830 3.475 4.402 . 0 0 "[ . 1 . 2]" 1
188 1 12 VAL HB 1 14 ASP H 5.220 . 5.220 4.934 4.796 5.238 0.018 15 0 "[ . 1 . 2]" 1
189 1 12 VAL H 1 12 VAL HB 3.150 . 3.150 2.448 2.382 2.503 . 0 0 "[ . 1 . 2]" 1
190 1 12 VAL H 1 12 VAL MG2 3.510 . 3.510 2.246 2.156 2.419 . 0 0 "[ . 1 . 2]" 1
191 1 12 VAL MG1 1 13 PHE HA 5.150 . 5.150 3.417 3.276 3.711 . 0 0 "[ . 1 . 2]" 1
192 1 12 VAL MG1 1 13 PHE H 5.500 . 5.500 3.367 3.160 3.797 . 0 0 "[ . 1 . 2]" 1
193 1 12 VAL MG1 1 13 PHE QB 5.340 . 5.340 4.653 4.496 4.961 . 0 0 "[ . 1 . 2]" 1
194 1 12 VAL MG2 1 13 PHE H 5.500 . 5.500 3.889 3.828 4.002 . 0 0 "[ . 1 . 2]" 1
195 1 13 PHE HA 1 13 PHE QD 3.750 . 3.750 2.299 2.136 2.775 . 0 0 "[ . 1 . 2]" 1
196 1 13 PHE HA 1 13 PHE QE 4.510 . 4.510 4.431 4.216 4.571 0.061 4 0 "[ . 1 . 2]" 1
197 1 13 PHE HA 1 15 LYS H 5.500 . 5.500 3.960 3.721 4.565 . 0 0 "[ . 1 . 2]" 1
198 1 13 PHE HA 1 21 ILE MD 5.500 . 5.500 4.782 4.051 5.209 . 0 0 "[ . 1 . 2]" 1
199 1 13 PHE HA 1 21 ILE MG 5.500 . 5.500 4.304 3.986 5.524 0.024 9 0 "[ . 1 . 2]" 1
200 1 13 PHE HA 1 29 VAL QG 4.370 . 4.370 2.842 2.372 3.310 . 0 0 "[ . 1 . 2]" 1
201 1 13 PHE HA 1 29 VAL MG1 5.500 . 5.500 4.676 3.841 5.228 . 0 0 "[ . 1 . 2]" 1
202 1 13 PHE HA 1 29 VAL MG2 5.500 . 5.500 2.869 2.385 3.353 . 0 0 "[ . 1 . 2]" 1
203 1 13 PHE H 1 13 PHE QB 3.670 . 3.670 2.536 2.208 2.719 . 0 0 "[ . 1 . 2]" 1
204 1 13 PHE H 1 14 ASP H 3.150 . 3.150 2.610 2.540 2.679 . 0 0 "[ . 1 . 2]" 1
205 1 13 PHE H 1 29 VAL QG 5.440 . 5.440 4.495 4.045 5.215 . 0 0 "[ . 1 . 2]" 1
206 1 13 PHE QB 1 14 ASP H 4.080 . 4.080 2.757 2.719 2.819 . 0 0 "[ . 1 . 2]" 1
207 1 13 PHE QB 1 21 ILE MD 4.370 . 4.370 2.297 1.859 2.662 . 0 0 "[ . 1 . 2]" 1
208 1 13 PHE QB 1 29 VAL QG 4.040 . 4.040 2.840 2.162 3.687 . 0 0 "[ . 1 . 2]" 1
209 1 13 PHE QD 1 14 ASP H 4.650 . 4.650 4.298 4.183 4.437 . 0 0 "[ . 1 . 2]" 1
210 1 13 PHE QD 1 21 ILE MD 4.220 . 4.220 2.316 2.219 2.501 . 0 0 "[ . 1 . 2]" 1
211 1 13 PHE QD 1 29 VAL MG1 3.970 . 3.970 3.429 2.732 3.979 0.009 7 0 "[ . 1 . 2]" 1
212 1 13 PHE QD 1 29 VAL MG2 3.970 . 3.970 2.531 2.068 3.391 . 0 0 "[ . 1 . 2]" 1
213 1 13 PHE QE 1 21 ILE MD 3.920 . 3.920 4.100 3.984 4.336 0.416 9 0 "[ . 1 . 2]" 1
214 1 13 PHE QE 1 29 VAL QG 4.090 . 4.090 2.688 2.497 2.896 . 0 0 "[ . 1 . 2]" 1
215 1 14 ASP HA 1 15 LYS H 3.320 . 3.320 2.514 2.312 2.629 . 0 0 "[ . 1 . 2]" 1
216 1 14 ASP HA 1 17 GLN H 4.900 . 4.900 3.661 3.547 3.805 . 0 0 "[ . 1 . 2]" 1
217 1 14 ASP HA 1 21 ILE MD 4.780 . 4.780 4.757 3.302 4.968 0.188 10 0 "[ . 1 . 2]" 1
218 1 14 ASP HA 1 21 ILE MG 4.500 . 4.500 3.700 3.449 4.579 0.079 9 0 "[ . 1 . 2]" 1
219 1 14 ASP HA 1 22 SER H 5.500 . 5.500 4.497 4.306 4.771 . 0 0 "[ . 1 . 2]" 1
220 1 14 ASP H 1 14 ASP QB 3.320 . 3.320 2.244 2.187 2.289 . 0 0 "[ . 1 . 2]" 1
221 1 14 ASP H 1 14 ASP HB3 3.810 . 3.810 2.706 2.552 2.803 . 0 0 "[ . 1 . 2]" 1
222 1 14 ASP H 1 14 ASP HB2 3.810 . 3.810 2.402 2.282 2.564 . 0 0 "[ . 1 . 2]" 1
223 1 14 ASP QB 1 15 LYS H 4.410 . 4.410 4.024 3.994 4.045 . 0 0 "[ . 1 . 2]" 1
224 1 14 ASP QB 1 16 ASP H 5.340 . 5.340 4.786 4.446 4.980 . 0 0 "[ . 1 . 2]" 1
225 1 14 ASP QB 1 21 ILE MD 4.530 . 4.530 4.371 3.528 4.573 0.043 3 0 "[ . 1 . 2]" 1
226 1 15 LYS H 1 15 LYS QB 3.150 . 3.150 2.314 2.177 2.504 . 0 0 "[ . 1 . 2]" 1
227 1 15 LYS H 1 15 LYS HB3 3.820 . 3.820 3.060 2.649 3.641 . 0 0 "[ . 1 . 2]" 1
228 1 15 LYS H 1 15 LYS HB2 3.820 . 3.820 2.418 2.250 2.553 . 0 0 "[ . 1 . 2]" 1
229 1 15 LYS H 1 15 LYS HD3 5.500 . 5.500 4.685 3.827 5.088 . 0 0 "[ . 1 . 2]" 1
230 1 15 LYS H 1 15 LYS HD2 5.500 . 5.500 4.675 3.966 5.751 0.251 19 0 "[ . 1 . 2]" 1
231 1 15 LYS H 1 15 LYS HG3 4.940 . 4.940 3.642 2.156 4.473 . 0 0 "[ . 1 . 2]" 1
232 1 15 LYS H 1 15 LYS HG2 4.940 . 4.940 4.107 2.073 4.700 . 0 0 "[ . 1 . 2]" 1
233 1 15 LYS H 1 16 ASP H 3.430 . 3.430 2.909 2.864 2.962 . 0 0 "[ . 1 . 2]" 1
234 1 15 LYS H 1 17 GLN H 4.730 . 4.730 3.837 3.732 4.048 . 0 0 "[ . 1 . 2]" 1
235 1 15 LYS H 1 25 GLU HB3 5.150 . 5.150 3.461 3.119 3.978 . 0 0 "[ . 1 . 2]" 1
236 1 15 LYS H 1 25 GLU HG3 4.430 . 4.430 4.495 4.334 4.671 0.241 20 0 "[ . 1 . 2]" 1
237 1 15 LYS QB 1 16 ASP H 3.900 . 3.900 2.441 2.280 2.697 . 0 0 "[ . 1 . 2]" 1
238 1 15 LYS QB 1 28 HIS HD1 5.070 . 5.070 4.547 3.095 5.130 0.060 20 0 "[ . 1 . 2]" 1
239 1 15 LYS HB3 1 16 ASP H 4.500 . 4.500 2.805 2.304 3.661 . 0 0 "[ . 1 . 2]" 1
240 1 15 LYS HB3 1 17 GLN H 5.500 . 5.500 4.646 4.398 5.146 . 0 0 "[ . 1 . 2]" 1
241 1 15 LYS HB2 1 16 ASP H 4.500 . 4.500 3.311 2.472 3.837 . 0 0 "[ . 1 . 2]" 1
242 1 15 LYS HB2 1 17 GLN H 5.500 . 5.500 4.972 4.519 5.247 . 0 0 "[ . 1 . 2]" 1
243 1 15 LYS QD 1 28 HIS HD1 4.490 . 4.490 3.259 1.927 4.156 . 0 0 "[ . 1 . 2]" 1
244 1 15 LYS QE 1 28 HIS HD1 5.160 . 5.160 4.218 1.730 5.202 0.042 6 0 "[ . 1 . 2]" 1
245 1 16 ASP H 1 16 ASP QB 3.550 . 3.550 2.621 2.255 2.691 . 0 0 "[ . 1 . 2]" 1
246 1 16 ASP H 1 17 GLN HA 4.700 . 4.700 4.811 4.746 4.875 0.175 11 0 "[ . 1 . 2]" 1
247 1 16 ASP H 1 17 GLN H 2.500 . 2.500 2.576 2.538 2.632 0.132 18 0 "[ . 1 . 2]" 1
248 1 16 ASP H 1 18 ASN H 4.730 . 4.730 4.025 3.925 4.253 . 0 0 "[ . 1 . 2]" 1
249 1 17 GLN HA 1 17 GLN HG3 3.920 . 3.920 2.941 2.341 3.722 . 0 0 "[ . 1 . 2]" 1
250 1 17 GLN HA 1 17 GLN HG2 3.920 . 3.920 2.969 2.384 3.779 . 0 0 "[ . 1 . 2]" 1
251 1 17 GLN HA 1 19 GLY H 3.890 . 3.890 3.109 3.040 3.208 . 0 0 "[ . 1 . 2]" 1
252 1 17 GLN H 1 17 GLN HA 2.940 . 2.940 2.307 2.298 2.329 . 0 0 "[ . 1 . 2]" 1
253 1 17 GLN H 1 17 GLN QB 3.370 . 3.370 3.042 2.827 3.310 . 0 0 "[ . 1 . 2]" 1
254 1 17 GLN H 1 17 GLN HG3 5.310 . 5.310 3.926 2.639 5.014 . 0 0 "[ . 1 . 2]" 1
255 1 17 GLN H 1 17 GLN HG2 5.310 . 5.310 4.076 2.671 5.171 . 0 0 "[ . 1 . 2]" 1
256 1 17 GLN H 1 18 ASN H 4.100 . 4.100 2.818 2.752 2.959 . 0 0 "[ . 1 . 2]" 1
257 1 17 GLN H 1 18 ASN QB 5.340 . 5.340 4.906 4.832 5.042 . 0 0 "[ . 1 . 2]" 1
258 1 17 GLN QG 1 18 ASN H 5.060 . 5.060 4.468 3.668 4.858 . 0 0 "[ . 1 . 2]" 1
259 1 18 ASN H 1 18 ASN HB3 3.950 . 3.950 2.783 2.576 3.637 . 0 0 "[ . 1 . 2]" 1
260 1 18 ASN H 1 18 ASN HB2 3.950 . 3.950 3.580 2.533 3.671 . 0 0 "[ . 1 . 2]" 1
261 1 18 ASN H 1 19 GLY H 4.410 . 4.410 2.525 2.423 2.618 . 0 0 "[ . 1 . 2]" 1
262 1 18 ASN H 1 20 TYR H 5.500 . 5.500 3.475 3.349 3.628 . 0 0 "[ . 1 . 2]" 1
263 1 19 GLY H 1 20 TYR H 3.970 . 3.970 2.590 2.341 2.715 . 0 0 "[ . 1 . 2]" 1
264 1 19 GLY H 1 20 TYR QB 5.340 . 5.340 4.880 4.640 4.977 . 0 0 "[ . 1 . 2]" 1
265 1 19 GLY QA 1 20 TYR QD 4.610 . 4.610 2.978 2.832 3.127 . 0 0 "[ . 1 . 2]" 1
266 1 20 TYR HA 1 20 TYR QD 3.640 . 3.640 3.020 2.936 3.058 . 0 0 "[ . 1 . 2]" 1
267 1 20 TYR HA 1 20 TYR QE 4.240 . 4.240 4.510 4.451 4.540 0.300 20 0 "[ . 1 . 2]" 1
268 1 20 TYR HA 1 21 ILE HB 5.500 . 5.500 4.880 4.733 4.990 . 0 0 "[ . 1 . 2]" 1
269 1 20 TYR HA 1 56 GLN QG 5.340 . 5.340 5.179 4.722 5.603 0.263 7 0 "[ . 1 . 2]" 1
270 1 20 TYR H 1 20 TYR QB 3.610 . 3.610 2.525 2.421 2.583 . 0 0 "[ . 1 . 2]" 1
271 1 20 TYR H 1 20 TYR HB3 4.160 . 4.160 3.727 3.636 3.774 . 0 0 "[ . 1 . 2]" 1
272 1 20 TYR H 1 20 TYR HB2 4.160 . 4.160 2.568 2.459 2.630 . 0 0 "[ . 1 . 2]" 1
273 1 20 TYR H 1 20 TYR QD 4.210 . 4.210 2.836 2.704 3.073 . 0 0 "[ . 1 . 2]" 1
274 1 20 TYR QB 1 21 ILE H 4.700 . 4.700 3.028 2.281 3.225 . 0 0 "[ . 1 . 2]" 1
275 1 20 TYR QB 1 56 GLN HA 5.340 . 5.340 4.408 3.963 4.698 . 0 0 "[ . 1 . 2]" 1
276 1 20 TYR QB 1 56 GLN QG 4.330 . 4.330 2.779 2.343 3.092 . 0 0 "[ . 1 . 2]" 1
277 1 20 TYR HB3 1 56 GLN HB3 5.500 . 5.500 2.594 2.278 2.944 . 0 0 "[ . 1 . 2]" 1
278 1 20 TYR HB2 1 56 GLN HB3 5.500 . 5.500 4.048 3.687 4.376 . 0 0 "[ . 1 . 2]" 1
279 1 20 TYR QD 1 56 GLN HA 4.730 . 4.730 4.766 4.641 4.890 0.160 20 0 "[ . 1 . 2]" 1
280 1 20 TYR QD 1 56 GLN QB 3.880 . 3.880 2.245 2.166 2.287 . 0 0 "[ . 1 . 2]" 1
281 1 20 TYR QD 1 56 GLN QG 3.620 . 3.620 3.857 3.687 4.005 0.385 1 0 "[ . 1 . 2]" 1
282 1 20 TYR QD 1 58 ASN HA 3.870 . 3.870 3.101 2.747 3.570 . 0 0 "[ . 1 . 2]" 1
283 1 20 TYR QD 1 58 ASN QB 3.870 . 3.870 3.017 2.324 3.374 . 0 0 "[ . 1 . 2]" 1
284 1 20 TYR QE 1 56 GLN QB 3.990 . 3.990 3.892 3.792 3.981 . 0 0 "[ . 1 . 2]" 1
285 1 20 TYR QE 1 58 ASN QB 3.470 . 3.470 2.364 2.278 2.856 . 0 0 "[ . 1 . 2]" 1
286 1 21 ILE HA 1 21 ILE MD 4.700 . 4.700 3.764 2.253 3.883 . 0 0 "[ . 1 . 2]" 1
287 1 21 ILE HA 1 22 SER H 3.150 . 3.150 2.156 2.137 2.170 . 0 0 "[ . 1 . 2]" 1
288 1 21 ILE HA 1 25 GLU HB2 5.350 . 5.350 3.526 3.249 3.816 . 0 0 "[ . 1 . 2]" 1
289 1 21 ILE HA 1 25 GLU HB3 5.500 . 5.500 4.231 3.970 4.504 . 0 0 "[ . 1 . 2]" 1
290 1 21 ILE HB 1 22 SER H 5.500 . 5.500 4.091 3.995 4.345 . 0 0 "[ . 1 . 2]" 1
291 1 21 ILE HB 1 57 VAL HA 5.500 . 5.500 5.017 4.576 5.236 . 0 0 "[ . 1 . 2]" 1
292 1 21 ILE HB 1 57 VAL HB 3.610 . 3.610 2.299 2.243 2.370 . 0 0 "[ . 1 . 2]" 1
293 1 21 ILE HB 1 57 VAL H 4.380 . 4.380 3.852 3.525 4.061 . 0 0 "[ . 1 . 2]" 1
294 1 21 ILE H 1 21 ILE HB 3.740 . 3.740 2.665 2.482 2.755 . 0 0 "[ . 1 . 2]" 1
295 1 21 ILE H 1 21 ILE MD 5.500 . 5.500 3.688 3.563 4.097 . 0 0 "[ . 1 . 2]" 1
296 1 21 ILE H 1 21 ILE QG 4.150 . 4.150 2.159 1.996 2.749 . 0 0 "[ . 1 . 2]" 1
297 1 21 ILE H 1 21 ILE MG 4.270 . 4.270 3.811 3.779 3.902 . 0 0 "[ . 1 . 2]" 1
298 1 21 ILE H 1 57 VAL HB 4.270 . 4.270 3.734 3.422 4.037 . 0 0 "[ . 1 . 2]" 1
299 1 21 ILE MD 1 62 PHE QB 4.840 . 4.840 2.774 2.465 4.385 . 0 0 "[ . 1 . 2]" 1
300 1 21 ILE MD 1 62 PHE QE 3.700 . 3.700 3.336 3.049 3.773 0.073 9 0 "[ . 1 . 2]" 1
301 1 21 ILE MD 1 21 ILE MG 3.780 . 3.780 1.912 1.768 1.995 . 0 0 "[ . 1 . 2]" 1
302 1 21 ILE MG 1 22 SER H 4.090 . 4.090 2.614 2.484 2.879 . 0 0 "[ . 1 . 2]" 1
303 1 21 ILE MG 1 23 ALA H 5.500 . 5.500 5.023 4.787 5.298 . 0 0 "[ . 1 . 2]" 1
304 1 21 ILE MG 1 25 GLU H 5.420 . 5.420 4.080 3.846 4.744 . 0 0 "[ . 1 . 2]" 1
305 1 21 ILE MG 1 25 GLU HB2 3.770 . 3.770 2.431 2.218 3.243 . 0 0 "[ . 1 . 2]" 1
306 1 21 ILE MG 1 25 GLU HB3 4.130 . 4.130 2.825 2.378 3.772 . 0 0 "[ . 1 . 2]" 1
307 1 21 ILE MG 1 26 LEU H 4.000 . 4.000 3.081 2.735 3.509 . 0 0 "[ . 1 . 2]" 1
308 1 21 ILE MG 1 62 PHE QE 4.620 . 4.620 4.321 3.577 4.659 0.039 7 0 "[ . 1 . 2]" 1
309 1 22 SER HA 1 23 ALA H 3.240 . 3.240 2.346 2.306 2.431 . 0 0 "[ . 1 . 2]" 1
310 1 22 SER HA 1 46 ILE MD 5.200 . 5.200 4.265 3.741 4.875 . 0 0 "[ . 1 . 2]" 1
311 1 22 SER HA 1 46 ILE MG 5.500 . 5.500 4.785 4.424 5.373 . 0 0 "[ . 1 . 2]" 1
312 1 22 SER HA 1 56 GLN HG3 5.500 . 5.500 4.075 2.917 4.998 . 0 0 "[ . 1 . 2]" 1
313 1 22 SER HA 1 56 GLN HG2 5.500 . 5.500 3.536 2.991 4.758 . 0 0 "[ . 1 . 2]" 1
314 1 22 SER HA 1 57 VAL MG2 5.130 . 5.130 4.762 4.335 5.141 0.011 17 0 "[ . 1 . 2]" 1
315 1 22 SER H 1 25 GLU H 5.500 . 5.500 3.573 3.445 3.929 . 0 0 "[ . 1 . 2]" 1
316 1 22 SER H 1 25 GLU HB2 3.420 . 3.420 2.294 2.132 2.417 . 0 0 "[ . 1 . 2]" 1
317 1 22 SER H 1 57 VAL HB 5.500 . 5.500 5.420 5.131 5.604 0.104 7 0 "[ . 1 . 2]" 1
318 1 22 SER QB 1 23 ALA H 3.730 . 3.730 2.921 2.452 3.445 . 0 0 "[ . 1 . 2]" 1
319 1 23 ALA HA 1 26 LEU HG 4.870 . 4.870 4.568 4.198 4.946 0.076 14 0 "[ . 1 . 2]" 1
320 1 23 ALA HA 1 26 LEU H 4.420 . 4.420 3.312 3.196 3.410 . 0 0 "[ . 1 . 2]" 1
321 1 23 ALA HA 1 26 LEU QB 4.390 . 4.390 2.544 2.339 2.751 . 0 0 "[ . 1 . 2]" 1
322 1 23 ALA HA 1 42 VAL MG1 5.060 . 5.060 3.535 3.231 3.910 . 0 0 "[ . 1 . 2]" 1
323 1 23 ALA HA 1 46 ILE MD 4.110 . 4.110 2.219 2.047 2.429 . 0 0 "[ . 1 . 2]" 1
324 1 23 ALA HA 1 46 ILE QG 4.200 . 4.200 3.186 2.643 4.031 . 0 0 "[ . 1 . 2]" 1
325 1 23 ALA HA 1 46 ILE HG13 4.790 . 4.790 3.378 2.691 4.734 . 0 0 "[ . 1 . 2]" 1
326 1 23 ALA HA 1 46 ILE HG12 4.790 . 4.790 4.140 3.857 4.546 . 0 0 "[ . 1 . 2]" 1
327 1 23 ALA H 1 23 ALA MB 3.240 . 3.240 2.231 2.200 2.259 . 0 0 "[ . 1 . 2]" 1
328 1 23 ALA H 1 24 SER H 5.500 . 5.500 2.823 2.779 2.859 . 0 0 "[ . 1 . 2]" 1
329 1 23 ALA H 1 46 ILE MD 5.390 . 5.390 3.416 2.965 4.095 . 0 0 "[ . 1 . 2]" 1
330 1 23 ALA H 1 46 ILE MG 4.850 . 4.850 3.968 3.590 4.566 . 0 0 "[ . 1 . 2]" 1
331 1 23 ALA H 1 56 GLN QG 5.340 . 5.340 4.647 3.973 5.388 0.048 15 0 "[ . 1 . 2]" 1
332 1 23 ALA H 1 57 VAL H 5.170 . 5.170 5.017 4.530 5.244 0.074 12 0 "[ . 1 . 2]" 1
333 1 23 ALA MB 1 24 SER HA 4.760 . 4.760 3.802 3.773 3.832 . 0 0 "[ . 1 . 2]" 1
334 1 23 ALA MB 1 24 SER H 3.920 . 3.920 2.514 2.432 2.572 . 0 0 "[ . 1 . 2]" 1
335 1 23 ALA MB 1 25 GLU H 5.500 . 5.500 4.544 4.486 4.623 . 0 0 "[ . 1 . 2]" 1
336 1 23 ALA MB 1 42 VAL MG1 4.040 . 4.040 2.715 2.244 3.183 . 0 0 "[ . 1 . 2]" 1
337 1 23 ALA MB 1 46 ILE MD 4.460 . 4.460 2.611 1.905 3.229 . 0 0 "[ . 1 . 2]" 1
338 1 23 ALA MB 1 46 ILE MG 3.980 . 3.980 2.924 2.442 3.627 . 0 0 "[ . 1 . 2]" 1
339 1 24 SER HA 1 26 LEU H 4.900 . 4.900 4.452 4.306 4.587 . 0 0 "[ . 1 . 2]" 1
340 1 24 SER HA 1 27 ARG H 4.120 . 4.120 3.596 3.412 3.833 . 0 0 "[ . 1 . 2]" 1
341 1 24 SER HA 1 27 ARG HB3 5.500 . 5.500 4.046 2.377 4.632 . 0 0 "[ . 1 . 2]" 1
342 1 24 SER HA 1 27 ARG HB2 5.500 . 5.500 3.864 2.746 5.064 . 0 0 "[ . 1 . 2]" 1
343 1 24 SER HA 1 27 ARG QG 3.970 . 3.970 3.050 2.279 4.154 0.184 7 0 "[ . 1 . 2]" 1
344 1 24 SER HA 1 27 ARG HG3 4.710 . 4.710 3.746 3.348 5.223 0.513 5 1 "[ + 1 . 2]" 1
345 1 24 SER HA 1 27 ARG HG2 4.710 . 4.710 3.755 2.311 4.910 0.200 1 0 "[ . 1 . 2]" 1
346 1 24 SER H 1 24 SER QB 3.450 . 3.450 2.459 2.260 2.546 . 0 0 "[ . 1 . 2]" 1
347 1 24 SER H 1 24 SER HB3 3.930 . 3.930 3.178 2.497 3.599 . 0 0 "[ . 1 . 2]" 1
348 1 24 SER H 1 24 SER HB2 3.930 . 3.930 2.841 2.470 3.597 . 0 0 "[ . 1 . 2]" 1
349 1 24 SER H 1 25 GLU H 4.140 . 4.140 2.768 2.672 2.798 . 0 0 "[ . 1 . 2]" 1
350 1 24 SER QB 1 25 GLU H 4.030 . 4.030 2.853 2.551 3.474 . 0 0 "[ . 1 . 2]" 1
351 1 25 GLU HA 1 25 GLU HG3 3.400 . 3.400 2.982 2.807 3.048 . 0 0 "[ . 1 . 2]" 1
352 1 25 GLU HA 1 25 GLU HG2 3.590 . 3.590 2.373 2.297 2.502 . 0 0 "[ . 1 . 2]" 1
353 1 25 GLU H 1 25 GLU HB2 3.110 . 3.110 2.345 2.289 2.401 . 0 0 "[ . 1 . 2]" 1
354 1 25 GLU H 1 25 GLU HG2 3.220 . 3.220 3.488 3.421 3.681 0.461 20 0 "[ . 1 . 2]" 1
355 1 25 GLU H 1 26 LEU H 4.350 . 4.350 2.594 2.503 2.666 . 0 0 "[ . 1 . 2]" 1
356 1 25 GLU H 1 26 LEU HB3 5.500 . 5.500 4.986 4.711 5.329 . 0 0 "[ . 1 . 2]" 1
357 1 25 GLU H 1 26 LEU HB2 5.500 . 5.500 4.855 4.531 5.216 . 0 0 "[ . 1 . 2]" 1
358 1 25 GLU H 1 27 ARG H 5.500 . 5.500 4.173 3.987 4.263 . 0 0 "[ . 1 . 2]" 1
359 1 25 GLU HB2 1 26 LEU H 4.640 . 4.640 2.715 2.622 2.809 . 0 0 "[ . 1 . 2]" 1
360 1 26 LEU HA 1 26 LEU MD1 3.710 . 3.710 2.262 2.087 3.240 . 0 0 "[ . 1 . 2]" 1
361 1 26 LEU HA 1 26 LEU MD2 3.760 . 3.760 2.895 2.015 3.831 0.071 9 0 "[ . 1 . 2]" 1
362 1 26 LEU HA 1 28 HIS H 5.500 . 5.500 4.569 4.440 4.661 . 0 0 "[ . 1 . 2]" 1
363 1 26 LEU HA 1 29 VAL HB 3.610 . 3.610 2.873 2.662 3.102 . 0 0 "[ . 1 . 2]" 1
364 1 26 LEU HA 1 29 VAL H 3.710 . 3.710 3.537 3.370 3.760 0.050 12 0 "[ . 1 . 2]" 1
365 1 26 LEU HA 1 29 VAL QG 4.310 . 4.310 3.043 2.754 3.425 . 0 0 "[ . 1 . 2]" 1
366 1 26 LEU HA 1 29 VAL MG1 5.320 . 5.320 4.206 4.032 4.421 . 0 0 "[ . 1 . 2]" 1
367 1 26 LEU HA 1 29 VAL MG2 5.320 . 5.320 3.128 2.787 3.573 . 0 0 "[ . 1 . 2]" 1
368 1 26 LEU HA 1 30 MET H 5.340 . 5.340 4.258 4.013 4.549 . 0 0 "[ . 1 . 2]" 1
369 1 26 LEU H 1 26 LEU HB3 3.760 . 3.760 2.666 2.401 2.933 . 0 0 "[ . 1 . 2]" 1
370 1 26 LEU H 1 26 LEU HB2 3.760 . 3.760 2.433 2.194 2.691 . 0 0 "[ . 1 . 2]" 1
371 1 26 LEU H 1 26 LEU MD2 4.440 . 4.440 3.945 3.542 4.327 . 0 0 "[ . 1 . 2]" 1
372 1 26 LEU H 1 27 ARG H 4.320 . 4.320 2.679 2.598 2.759 . 0 0 "[ . 1 . 2]" 1
373 1 26 LEU H 1 46 ILE MD 5.500 . 5.500 4.351 4.017 4.694 . 0 0 "[ . 1 . 2]" 1
374 1 26 LEU QB 1 27 ARG H 4.150 . 4.150 2.544 2.428 2.629 . 0 0 "[ . 1 . 2]" 1
375 1 26 LEU QB 1 46 ILE MD 3.860 . 3.860 2.666 2.196 3.148 . 0 0 "[ . 1 . 2]" 1
376 1 26 LEU HB3 1 26 LEU MD2 3.220 . 3.220 2.864 2.374 3.219 . 0 0 "[ . 1 . 2]" 1
377 1 26 LEU HB3 1 46 ILE MD 4.450 . 4.450 3.031 2.760 3.298 . 0 0 "[ . 1 . 2]" 1
378 1 26 LEU HB2 1 26 LEU MD2 3.220 . 3.220 2.295 2.231 2.495 . 0 0 "[ . 1 . 2]" 1
379 1 26 LEU HB2 1 46 ILE MD 4.450 . 4.450 3.054 2.294 4.058 . 0 0 "[ . 1 . 2]" 1
380 1 26 LEU MD1 1 27 ARG HA 4.280 . 4.280 3.675 2.499 4.325 0.045 3 0 "[ . 1 . 2]" 1
381 1 26 LEU MD1 1 30 MET HA 4.860 . 4.860 4.464 4.136 4.754 . 0 0 "[ . 1 . 2]" 1
382 1 26 LEU MD1 1 30 MET QB 3.930 . 3.930 3.821 3.422 4.169 0.239 1 0 "[ . 1 . 2]" 1
383 1 26 LEU MD1 1 30 MET ME 3.210 . 3.210 2.354 2.069 3.024 . 0 0 "[ . 1 . 2]" 1
384 1 26 LEU MD2 1 30 MET H 5.500 . 5.500 5.260 3.608 5.664 0.164 3 0 "[ . 1 . 2]" 1
385 1 26 LEU MD2 1 30 MET ME 3.920 . 3.920 3.407 2.140 4.028 0.108 15 0 "[ . 1 . 2]" 1
386 1 26 LEU MD2 1 65 MET ME 4.800 . 4.800 2.948 2.303 3.795 . 0 0 "[ . 1 . 2]" 1
387 1 27 ARG HA 1 27 ARG HD3 5.500 . 5.500 4.714 2.345 5.508 0.008 17 0 "[ . 1 . 2]" 1
388 1 27 ARG HA 1 27 ARG HD2 5.500 . 5.500 4.503 2.319 5.490 . 0 0 "[ . 1 . 2]" 1
389 1 27 ARG HA 1 30 MET H 4.500 . 4.500 3.225 3.059 3.375 . 0 0 "[ . 1 . 2]" 1
390 1 27 ARG HA 1 30 MET QB 3.650 . 3.650 2.413 2.301 2.587 . 0 0 "[ . 1 . 2]" 1
391 1 27 ARG HA 1 30 MET HG3 5.500 . 5.500 3.696 3.084 5.106 . 0 0 "[ . 1 . 2]" 1
392 1 27 ARG HA 1 30 MET HG2 5.500 . 5.500 3.746 3.238 4.953 . 0 0 "[ . 1 . 2]" 1
393 1 27 ARG HA 1 42 VAL MG1 4.920 . 4.920 3.849 3.483 4.222 . 0 0 "[ . 1 . 2]" 1
394 1 27 ARG HA 1 42 VAL MG2 4.600 . 4.600 3.593 3.261 3.882 . 0 0 "[ . 1 . 2]" 1
395 1 27 ARG H 1 27 ARG QB 3.490 . 3.490 2.398 2.153 2.613 . 0 0 "[ . 1 . 2]" 1
396 1 27 ARG H 1 27 ARG HB3 3.980 . 3.980 2.971 2.174 3.606 . 0 0 "[ . 1 . 2]" 1
397 1 27 ARG H 1 27 ARG HB2 3.980 . 3.980 2.989 2.404 3.628 . 0 0 "[ . 1 . 2]" 1
398 1 27 ARG H 1 27 ARG HD3 5.500 . 5.500 4.355 3.841 4.864 . 0 0 "[ . 1 . 2]" 1
399 1 27 ARG H 1 27 ARG HD2 5.500 . 5.500 4.521 3.874 5.131 . 0 0 "[ . 1 . 2]" 1
400 1 27 ARG H 1 27 ARG QG 4.350 . 4.350 2.424 1.872 4.011 . 0 0 "[ . 1 . 2]" 1
401 1 27 ARG H 1 27 ARG HG3 5.060 . 5.060 3.049 2.164 4.461 . 0 0 "[ . 1 . 2]" 1
402 1 27 ARG H 1 27 ARG HG2 5.060 . 5.060 3.042 1.889 4.642 . 0 0 "[ . 1 . 2]" 1
403 1 27 ARG H 1 28 HIS H 4.440 . 4.440 2.695 2.534 2.811 . 0 0 "[ . 1 . 2]" 1
404 1 27 ARG H 1 29 VAL H 5.500 . 5.500 4.111 3.991 4.174 . 0 0 "[ . 1 . 2]" 1
405 1 27 ARG H 1 30 MET H 4.830 . 4.830 4.672 4.549 4.798 . 0 0 "[ . 1 . 2]" 1
406 1 27 ARG H 1 30 MET QB 4.910 . 4.910 4.895 4.730 5.084 0.174 7 0 "[ . 1 . 2]" 1
407 1 27 ARG H 1 42 VAL MG1 4.120 . 4.120 3.815 3.439 4.125 0.005 5 0 "[ . 1 . 2]" 1
408 1 27 ARG QB 1 28 HIS H 3.990 . 3.990 2.889 2.441 3.426 . 0 0 "[ . 1 . 2]" 1
409 1 27 ARG HB3 1 28 HIS H 4.620 . 4.620 3.525 2.545 3.980 . 0 0 "[ . 1 . 2]" 1
410 1 27 ARG HB3 1 42 VAL MG1 4.430 . 4.430 3.742 2.567 4.555 0.125 14 0 "[ . 1 . 2]" 1
411 1 27 ARG HB2 1 28 HIS H 4.620 . 4.620 3.265 2.505 4.056 . 0 0 "[ . 1 . 2]" 1
412 1 27 ARG HB2 1 42 VAL MG1 4.430 . 4.430 4.105 2.784 4.519 0.089 2 0 "[ . 1 . 2]" 1
413 1 27 ARG QD 1 42 VAL MG1 4.770 . 4.770 3.471 2.440 4.564 . 0 0 "[ . 1 . 2]" 1
414 1 27 ARG HD3 1 42 VAL MG1 5.500 . 5.500 4.168 2.472 5.509 0.009 3 0 "[ . 1 . 2]" 1
415 1 27 ARG HD2 1 42 VAL MG1 5.500 . 5.500 4.066 2.566 5.436 . 0 0 "[ . 1 . 2]" 1
416 1 27 ARG HG3 1 28 HIS H 5.500 . 5.500 3.392 2.073 4.417 . 0 0 "[ . 1 . 2]" 1
417 1 27 ARG HG2 1 28 HIS H 5.500 . 5.500 3.580 1.834 4.980 . 0 0 "[ . 1 . 2]" 1
418 1 28 HIS HA 1 28 HIS HD1 4.900 . 4.900 4.531 4.047 4.682 . 0 0 "[ . 1 . 2]" 1
419 1 28 HIS HA 1 31 ILE HB 4.250 . 4.250 2.980 2.700 4.714 0.464 16 0 "[ . 1 . 2]" 1
420 1 28 HIS HA 1 31 ILE H 4.470 . 4.470 3.528 3.420 3.738 . 0 0 "[ . 1 . 2]" 1
421 1 28 HIS HA 1 31 ILE MD 4.210 . 4.210 2.919 2.356 4.305 0.095 1 0 "[ . 1 . 2]" 1
422 1 28 HIS HA 1 32 ASN H 4.460 . 4.460 4.082 3.723 4.234 . 0 0 "[ . 1 . 2]" 1
423 1 28 HIS HA 1 32 ASN HB3 5.500 . 5.500 5.614 5.024 5.790 0.290 1 0 "[ . 1 . 2]" 1
424 1 28 HIS H 1 28 HIS HB3 3.400 . 3.400 2.766 2.535 3.589 0.189 19 0 "[ . 1 . 2]" 1
425 1 28 HIS H 1 28 HIS HB2 3.400 . 3.400 2.495 2.396 2.655 . 0 0 "[ . 1 . 2]" 1
426 1 28 HIS H 1 29 VAL H 3.280 . 3.280 2.754 2.704 2.788 . 0 0 "[ . 1 . 2]" 1
427 1 28 HIS H 1 29 VAL QG 5.440 . 5.440 4.221 4.074 4.311 . 0 0 "[ . 1 . 2]" 1
428 1 28 HIS H 1 30 MET QB 5.340 . 5.340 4.920 4.844 5.038 . 0 0 "[ . 1 . 2]" 1
429 1 28 HIS H 1 31 ILE H 5.500 . 5.500 4.791 4.676 4.904 . 0 0 "[ . 1 . 2]" 1
430 1 28 HIS H 1 31 ILE MD 5.500 . 5.500 4.438 3.940 5.487 . 0 0 "[ . 1 . 2]" 1
431 1 28 HIS QB 1 29 VAL H 3.850 . 3.850 2.550 2.458 2.758 . 0 0 "[ . 1 . 2]" 1
432 1 28 HIS QB 1 30 MET H 4.900 . 4.900 4.765 4.671 4.904 0.004 16 0 "[ . 1 . 2]" 1
433 1 28 HIS HD1 1 29 VAL QG 4.470 . 4.470 3.809 3.200 4.792 0.322 6 0 "[ . 1 . 2]" 1
434 1 29 VAL HA 1 32 ASN H 5.500 . 5.500 3.396 3.297 3.577 . 0 0 "[ . 1 . 2]" 1
435 1 29 VAL HA 1 32 ASN QB 4.520 . 4.520 2.469 2.342 2.581 . 0 0 "[ . 1 . 2]" 1
436 1 29 VAL H 1 29 VAL HB 4.100 . 4.100 2.435 2.394 2.493 . 0 0 "[ . 1 . 2]" 1
437 1 29 VAL H 1 29 VAL QG 3.490 . 3.490 2.196 2.077 2.298 . 0 0 "[ . 1 . 2]" 1
438 1 29 VAL H 1 30 MET H 3.840 . 3.840 2.661 2.544 2.738 . 0 0 "[ . 1 . 2]" 1
439 1 29 VAL H 1 31 ILE MD 5.500 . 5.500 5.233 4.648 5.801 0.301 18 0 "[ . 1 . 2]" 1
440 1 29 VAL QG 1 30 MET HA 5.440 . 5.440 3.315 3.251 3.420 . 0 0 "[ . 1 . 2]" 1
441 1 29 VAL QG 1 30 MET QG 4.960 . 4.960 3.706 3.446 4.315 . 0 0 "[ . 1 . 2]" 1
442 1 29 VAL QG 1 32 ASN HB2 5.040 . 5.040 4.409 4.265 4.522 . 0 0 "[ . 1 . 2]" 1
443 1 29 VAL QG 1 33 LEU QB 5.280 . 5.280 3.528 3.204 3.726 . 0 0 "[ . 1 . 2]" 1
444 1 29 VAL MG1 1 30 MET H 5.500 . 5.500 3.323 3.220 3.436 . 0 0 "[ . 1 . 2]" 1
445 1 29 VAL MG2 1 30 MET H 5.500 . 5.500 3.910 3.844 3.984 . 0 0 "[ . 1 . 2]" 1
446 1 30 MET HA 1 30 MET ME 4.290 . 4.290 3.706 2.979 4.309 0.019 2 0 "[ . 1 . 2]" 1
447 1 30 MET HA 1 30 MET QG 3.460 . 3.460 2.574 2.272 2.689 . 0 0 "[ . 1 . 2]" 1
448 1 30 MET HA 1 30 MET HG3 4.200 . 4.200 3.306 2.599 3.651 . 0 0 "[ . 1 . 2]" 1
449 1 30 MET HA 1 30 MET HG2 4.200 . 4.200 2.854 2.402 3.628 . 0 0 "[ . 1 . 2]" 1
450 1 30 MET HA 1 32 ASN H 5.500 . 5.500 4.525 4.472 4.606 . 0 0 "[ . 1 . 2]" 1
451 1 30 MET HA 1 33 LEU H 3.810 . 3.810 3.434 3.355 3.546 . 0 0 "[ . 1 . 2]" 1
452 1 30 MET HA 1 33 LEU QB 3.380 . 3.380 2.573 2.413 2.740 . 0 0 "[ . 1 . 2]" 1
453 1 30 MET HA 1 33 LEU HB3 4.070 . 4.070 4.022 3.338 4.168 0.098 13 0 "[ . 1 . 2]" 1
454 1 30 MET HA 1 33 LEU HB2 4.070 . 4.070 2.606 2.433 2.782 . 0 0 "[ . 1 . 2]" 1
455 1 30 MET HA 1 33 LEU MD1 5.500 . 5.500 3.749 2.336 5.396 . 0 0 "[ . 1 . 2]" 1
456 1 30 MET HA 1 33 LEU MD2 5.500 . 5.500 3.990 3.345 4.998 . 0 0 "[ . 1 . 2]" 1
457 1 30 MET H 1 30 MET QB 3.140 . 3.140 2.282 2.209 2.318 . 0 0 "[ . 1 . 2]" 1
458 1 30 MET H 1 30 MET HB3 3.790 . 3.790 3.558 3.526 3.573 . 0 0 "[ . 1 . 2]" 1
459 1 30 MET H 1 30 MET HB2 3.790 . 3.790 2.310 2.232 2.348 . 0 0 "[ . 1 . 2]" 1
460 1 30 MET H 1 30 MET QG 3.290 . 3.290 2.604 2.368 3.388 0.098 19 0 "[ . 1 . 2]" 1
461 1 30 MET H 1 31 ILE MD 5.500 . 5.500 4.715 3.661 5.232 . 0 0 "[ . 1 . 2]" 1
462 1 30 MET H 1 32 ASN H 4.190 . 4.190 4.172 4.082 4.254 0.064 18 0 "[ . 1 . 2]" 1
463 1 30 MET QB 1 31 ILE HA 5.340 . 5.340 3.900 3.850 3.920 . 0 0 "[ . 1 . 2]" 1
464 1 30 MET QB 1 37 LEU H 4.920 . 4.920 3.624 3.136 4.038 . 0 0 "[ . 1 . 2]" 1
465 1 30 MET ME 1 37 LEU QD 5.250 . 5.250 2.928 2.196 3.694 . 0 0 "[ . 1 . 2]" 1
466 1 30 MET QG 1 37 LEU QD 4.130 . 4.130 2.943 2.385 3.842 . 0 0 "[ . 1 . 2]" 1
467 1 31 ILE HA 1 34 GLY H 4.270 . 4.270 3.456 3.322 3.643 . 0 0 "[ . 1 . 2]" 1
468 1 31 ILE HA 1 35 GLU H 5.170 . 5.170 3.230 2.954 3.447 . 0 0 "[ . 1 . 2]" 1
469 1 31 ILE HA 1 36 LYS QB 4.240 . 4.240 3.864 3.188 4.597 0.357 19 0 "[ . 1 . 2]" 1
470 1 31 ILE HA 1 36 LYS QG 5.340 . 5.340 4.714 2.560 5.434 0.094 15 0 "[ . 1 . 2]" 1
471 1 31 ILE HB 1 31 ILE MD 3.700 . 3.700 2.417 2.133 3.197 . 0 0 "[ . 1 . 2]" 1
472 1 31 ILE H 1 31 ILE MD 4.000 . 4.000 2.933 1.924 3.579 . 0 0 "[ . 1 . 2]" 1
473 1 31 ILE H 1 31 ILE QG 4.850 . 4.850 2.465 1.902 3.503 . 0 0 "[ . 1 . 2]" 1
474 1 31 ILE H 1 32 ASN H 3.320 . 3.320 2.640 2.594 2.682 . 0 0 "[ . 1 . 2]" 1
475 1 31 ILE QG 1 32 ASN H 5.320 . 5.320 4.027 1.809 4.541 . 0 0 "[ . 1 . 2]" 1
476 1 31 ILE MG 1 32 ASN HA 5.500 . 5.500 3.465 3.053 5.422 . 0 0 "[ . 1 . 2]" 1
477 1 31 ILE MG 1 32 ASN H 3.800 . 3.800 3.307 2.950 3.835 0.035 16 0 "[ . 1 . 2]" 1
478 1 31 ILE MG 1 32 ASN HB3 5.500 . 5.500 5.079 4.695 5.841 0.341 16 0 "[ . 1 . 2]" 1
479 1 32 ASN H 1 32 ASN HB3 3.460 . 3.460 2.443 2.395 2.496 . 0 0 "[ . 1 . 2]" 1
480 1 32 ASN H 1 32 ASN HB2 3.740 . 3.740 2.645 2.573 2.703 . 0 0 "[ . 1 . 2]" 1
481 1 32 ASN H 1 33 LEU QB 5.340 . 5.340 4.473 4.348 4.582 . 0 0 "[ . 1 . 2]" 1
482 1 32 ASN HB2 1 33 LEU HA 5.500 . 5.500 5.653 5.629 5.692 0.192 3 0 "[ . 1 . 2]" 1
483 1 32 ASN HB2 1 33 LEU H 4.310 . 4.310 4.047 3.956 4.158 . 0 0 "[ . 1 . 2]" 1
484 1 32 ASN HB2 1 33 LEU QD 5.270 . 5.270 4.453 3.996 5.374 0.104 18 0 "[ . 1 . 2]" 1
485 1 33 LEU HA 1 33 LEU QD 3.730 . 3.730 2.191 1.900 2.474 . 0 0 "[ . 1 . 2]" 1
486 1 33 LEU HA 1 33 LEU MD1 4.470 . 4.470 2.685 2.142 3.818 . 0 0 "[ . 1 . 2]" 1
487 1 33 LEU HA 1 33 LEU MD2 4.470 . 4.470 2.927 2.122 3.720 . 0 0 "[ . 1 . 2]" 1
488 1 33 LEU H 1 33 LEU QB 3.180 . 3.180 2.183 2.105 2.294 . 0 0 "[ . 1 . 2]" 1
489 1 33 LEU H 1 33 LEU QD 4.000 . 4.000 2.649 2.232 3.318 . 0 0 "[ . 1 . 2]" 1
490 1 33 LEU H 1 33 LEU MD1 4.750 . 4.750 3.162 2.401 4.266 . 0 0 "[ . 1 . 2]" 1
491 1 33 LEU H 1 33 LEU MD2 4.750 . 4.750 3.585 2.242 4.131 . 0 0 "[ . 1 . 2]" 1
492 1 33 LEU H 1 34 GLY H 3.130 . 3.130 2.531 2.451 2.631 . 0 0 "[ . 1 . 2]" 1
493 1 33 LEU HB3 1 34 GLY H 3.670 . 3.670 3.993 3.704 4.125 0.455 12 0 "[ . 1 . 2]" 1
494 1 33 LEU HB2 1 34 GLY H 3.670 . 3.670 3.623 3.469 3.923 0.253 6 0 "[ . 1 . 2]" 1
495 1 33 LEU QD 1 34 GLY H 5.140 . 5.140 4.130 3.904 4.427 . 0 0 "[ . 1 . 2]" 1
496 1 33 LEU QD 1 35 GLU H 5.440 . 5.440 4.460 4.272 4.612 . 0 0 "[ . 1 . 2]" 1
497 1 35 GLU HA 1 35 GLU QG 3.510 . 3.510 2.522 2.341 3.307 . 0 0 "[ . 1 . 2]" 1
498 1 35 GLU HA 1 36 LYS H 3.100 . 3.100 2.202 2.157 2.260 . 0 0 "[ . 1 . 2]" 1
499 1 35 GLU HA 1 36 LYS QG 4.710 . 4.710 3.508 3.233 4.758 0.048 19 0 "[ . 1 . 2]" 1
500 1 35 GLU H 1 35 GLU QB 2.940 . 2.940 2.509 2.433 3.006 0.066 19 0 "[ . 1 . 2]" 1
501 1 35 GLU H 1 35 GLU HB3 3.740 . 3.740 3.685 3.167 3.758 0.018 14 0 "[ . 1 . 2]" 1
502 1 35 GLU H 1 35 GLU HB2 3.740 . 3.740 2.583 2.468 3.744 0.004 19 0 "[ . 1 . 2]" 1
503 1 35 GLU H 1 35 GLU QG 3.140 . 3.140 2.807 1.959 3.002 . 0 0 "[ . 1 . 2]" 1
504 1 35 GLU H 1 36 LYS H 5.160 . 5.160 4.419 4.359 4.469 . 0 0 "[ . 1 . 2]" 1
505 1 35 GLU QB 1 36 LYS H 3.760 . 3.760 3.124 2.917 3.345 . 0 0 "[ . 1 . 2]" 1
506 1 35 GLU QG 1 37 LEU QD 4.760 . 4.760 4.138 3.832 4.552 . 0 0 "[ . 1 . 2]" 1
507 1 36 LYS HA 1 37 LEU H 3.020 . 3.020 2.171 2.129 2.207 . 0 0 "[ . 1 . 2]" 1
508 1 36 LYS H 1 36 LYS QB 3.410 . 3.410 3.094 2.488 3.217 . 0 0 "[ . 1 . 2]" 1
509 1 36 LYS H 1 36 LYS QG 4.420 . 4.420 2.206 1.928 3.768 . 0 0 "[ . 1 . 2]" 1
510 1 36 LYS H 1 36 LYS HG3 5.250 . 5.250 2.828 2.098 3.979 . 0 0 "[ . 1 . 2]" 1
511 1 36 LYS H 1 36 LYS HG2 5.250 . 5.250 2.464 2.001 4.662 . 0 0 "[ . 1 . 2]" 1
512 1 36 LYS H 1 37 LEU H 5.460 . 5.460 4.087 4.025 4.168 . 0 0 "[ . 1 . 2]" 1
513 1 36 LYS H 1 37 LEU MD1 5.500 . 5.500 4.212 3.007 5.494 . 0 0 "[ . 1 . 2]" 1
514 1 36 LYS H 1 37 LEU MD2 5.500 . 5.500 3.950 2.971 5.650 0.150 18 0 "[ . 1 . 2]" 1
515 1 36 LYS QB 1 37 LEU H 3.640 . 3.640 3.513 3.353 3.638 . 0 0 "[ . 1 . 2]" 1
516 1 36 LYS QG 1 37 LEU HA 5.340 . 5.340 4.614 4.148 5.600 0.260 10 0 "[ . 1 . 2]" 1
517 1 37 LEU HA 1 37 LEU QD 3.520 . 3.520 2.345 1.989 3.137 . 0 0 "[ . 1 . 2]" 1
518 1 37 LEU HA 1 37 LEU MD1 4.570 . 4.570 3.127 2.063 3.854 . 0 0 "[ . 1 . 2]" 1
519 1 37 LEU HA 1 37 LEU MD2 4.570 . 4.570 2.839 2.120 3.764 . 0 0 "[ . 1 . 2]" 1
520 1 37 LEU HA 1 38 THR H 3.200 . 3.200 2.380 2.327 2.464 . 0 0 "[ . 1 . 2]" 1
521 1 37 LEU HA 1 38 THR MG 5.500 . 5.500 4.051 3.416 5.474 . 0 0 "[ . 1 . 2]" 1
522 1 37 LEU H 1 37 LEU HB3 3.010 . 3.710 3.709 3.590 3.760 0.050 4 0 "[ . 1 . 2]" 1
523 1 37 LEU H 1 37 LEU QD 4.500 . 4.500 2.404 1.696 3.318 . 0 0 "[ . 1 . 2]" 1
524 1 37 LEU H 1 37 LEU MD1 5.280 . 5.280 3.094 1.774 3.916 . 0 0 "[ . 1 . 2]" 1
525 1 37 LEU H 1 37 LEU MD2 5.280 . 5.280 3.130 1.704 4.237 . 0 0 "[ . 1 . 2]" 1
526 1 37 LEU HB3 1 38 THR H 3.740 . 3.740 2.640 2.370 2.766 . 0 0 "[ . 1 . 2]" 1
527 1 37 LEU HB3 1 41 GLU QB 4.860 . 4.860 2.276 2.112 2.792 . 0 0 "[ . 1 . 2]" 1
528 1 37 LEU HB3 1 41 GLU HG3 5.500 . 5.500 3.392 2.906 4.250 . 0 0 "[ . 1 . 2]" 1
529 1 37 LEU HB3 1 41 GLU HG2 5.500 . 5.500 4.058 2.932 4.301 . 0 0 "[ . 1 . 2]" 1
530 1 37 LEU HB3 1 42 VAL HA 5.500 . 5.500 5.112 4.072 5.528 0.028 4 0 "[ . 1 . 2]" 1
531 1 37 LEU HB3 1 42 VAL H 4.440 . 4.440 4.089 3.475 4.191 . 0 0 "[ . 1 . 2]" 1
532 1 37 LEU HB3 1 42 VAL MG2 5.500 . 5.500 3.296 2.191 3.497 . 0 0 "[ . 1 . 2]" 1
533 1 37 LEU HB2 1 41 GLU QB 4.900 . 4.900 3.135 2.766 4.357 . 0 0 "[ . 1 . 2]" 1
534 1 37 LEU HB2 1 41 GLU HG3 5.500 . 5.500 4.875 4.034 5.483 . 0 0 "[ . 1 . 2]" 1
535 1 37 LEU HB2 1 41 GLU HG2 5.500 . 5.500 5.422 4.480 5.625 0.125 12 0 "[ . 1 . 2]" 1
536 1 37 LEU HB2 1 42 VAL MG2 5.500 . 5.500 2.267 2.059 2.563 . 0 0 "[ . 1 . 2]" 1
537 1 37 LEU QD 1 38 THR H 4.690 . 4.690 3.598 2.925 4.058 . 0 0 "[ . 1 . 2]" 1
538 1 37 LEU QD 1 42 VAL HA 4.830 . 4.830 4.293 3.716 4.946 0.116 20 0 "[ . 1 . 2]" 1
539 1 37 LEU QD 1 42 VAL MG2 3.170 . 3.170 2.956 2.506 3.245 0.075 11 0 "[ . 1 . 2]" 1
540 1 37 LEU QD 1 45 MET ME 3.770 . 3.770 3.378 2.513 3.884 0.114 13 0 "[ . 1 . 2]" 1
541 1 37 LEU MD1 1 38 THR H 5.380 . 5.380 4.326 2.971 4.913 . 0 0 "[ . 1 . 2]" 1
542 1 37 LEU MD2 1 38 THR H 5.380 . 5.380 4.111 3.469 4.764 . 0 0 "[ . 1 . 2]" 1
543 1 38 THR HA 1 38 THR MG 3.650 . 3.650 2.396 2.230 3.153 . 0 0 "[ . 1 . 2]" 1
544 1 38 THR HA 1 39 ASP H 3.490 . 3.490 2.438 2.346 2.497 . 0 0 "[ . 1 . 2]" 1
545 1 38 THR HA 1 40 GLU H 4.580 . 4.580 4.378 4.259 4.525 . 0 0 "[ . 1 . 2]" 1
546 1 38 THR HA 1 41 GLU H 4.910 . 4.910 4.586 4.437 4.743 . 0 0 "[ . 1 . 2]" 1
547 1 38 THR HB 1 39 ASP H 3.520 . 3.520 2.842 2.387 3.546 0.026 16 0 "[ . 1 . 2]" 1
548 1 38 THR HB 1 40 GLU H 5.020 . 5.020 3.101 2.723 4.313 . 0 0 "[ . 1 . 2]" 1
549 1 38 THR H 1 38 THR HB 4.080 . 4.080 3.348 2.682 3.614 . 0 0 "[ . 1 . 2]" 1
550 1 38 THR H 1 38 THR MG 3.470 . 3.470 2.460 1.764 3.738 0.268 16 0 "[ . 1 . 2]" 1
551 1 38 THR H 1 41 GLU QB 4.190 . 4.190 2.838 2.471 3.094 . 0 0 "[ . 1 . 2]" 1
552 1 38 THR H 1 41 GLU QG 3.610 . 3.610 3.090 2.786 3.565 . 0 0 "[ . 1 . 2]" 1
553 1 38 THR H 1 41 GLU HG3 4.260 . 4.260 3.388 2.925 4.497 0.237 1 0 "[ . 1 . 2]" 1
554 1 38 THR H 1 41 GLU HG2 4.260 . 4.260 3.773 2.921 4.511 0.251 9 0 "[ . 1 . 2]" 1
555 1 38 THR MG 1 39 ASP H 4.710 . 4.710 3.342 1.828 4.114 . 0 0 "[ . 1 . 2]" 1
556 1 39 ASP HA 1 41 GLU H 5.500 . 5.500 4.136 4.067 4.189 . 0 0 "[ . 1 . 2]" 1
557 1 39 ASP HA 1 42 VAL HB 3.930 . 3.930 2.711 2.487 2.934 . 0 0 "[ . 1 . 2]" 1
558 1 39 ASP HA 1 42 VAL H 4.580 . 4.580 3.361 3.261 3.537 . 0 0 "[ . 1 . 2]" 1
559 1 39 ASP HA 1 42 VAL MG1 4.370 . 4.370 4.168 3.966 4.351 . 0 0 "[ . 1 . 2]" 1
560 1 39 ASP HA 1 42 VAL MG2 4.130 . 4.130 3.346 3.227 3.507 . 0 0 "[ . 1 . 2]" 1
561 1 39 ASP HA 1 43 GLU H 4.510 . 4.510 3.636 3.308 4.041 . 0 0 "[ . 1 . 2]" 1
562 1 39 ASP H 1 39 ASP QB 3.310 . 3.310 2.316 2.215 2.571 . 0 0 "[ . 1 . 2]" 1
563 1 39 ASP H 1 40 GLU H 2.970 . 2.970 2.682 2.661 2.699 . 0 0 "[ . 1 . 2]" 1
564 1 40 GLU HA 1 40 GLU QB 2.490 . 2.490 2.395 2.370 2.405 . 0 0 "[ . 1 . 2]" 1
565 1 40 GLU HA 1 40 GLU QG 2.630 . 2.630 2.331 2.246 2.720 0.090 14 0 "[ . 1 . 2]" 1
566 1 40 GLU HA 1 40 GLU HG3 3.100 . 3.100 2.862 2.273 3.622 0.522 14 1 "[ . 1 +. 2]" 1
567 1 40 GLU HA 1 40 GLU HG2 3.100 . 3.100 2.566 2.423 3.501 0.401 17 0 "[ . 1 . 2]" 1
568 1 40 GLU HA 1 43 GLU H 4.060 . 4.060 3.686 3.476 3.789 . 0 0 "[ . 1 . 2]" 1
569 1 40 GLU HA 1 43 GLU QB 2.830 . 2.830 2.634 2.529 2.699 . 0 0 "[ . 1 . 2]" 1
570 1 40 GLU HA 1 44 GLN H 4.560 . 4.560 3.877 3.579 4.049 . 0 0 "[ . 1 . 2]" 1
571 1 40 GLU H 1 40 GLU QB 3.190 . 3.190 2.397 2.358 2.439 . 0 0 "[ . 1 . 2]" 1
572 1 40 GLU H 1 40 GLU HB3 3.660 . 3.660 3.590 3.582 3.598 . 0 0 "[ . 1 . 2]" 1
573 1 40 GLU H 1 40 GLU HB2 3.660 . 3.660 2.435 2.392 2.482 . 0 0 "[ . 1 . 2]" 1
574 1 40 GLU H 1 40 GLU QG 3.430 . 3.430 2.292 2.099 3.042 . 0 0 "[ . 1 . 2]" 1
575 1 40 GLU H 1 40 GLU HG3 3.980 . 3.980 2.395 2.120 3.559 . 0 0 "[ . 1 . 2]" 1
576 1 40 GLU H 1 40 GLU HG2 3.980 . 3.980 3.471 2.222 3.816 . 0 0 "[ . 1 . 2]" 1
577 1 40 GLU H 1 41 GLU H 3.910 . 3.910 2.689 2.590 2.798 . 0 0 "[ . 1 . 2]" 1
578 1 40 GLU QB 1 41 GLU H 3.330 . 3.330 2.758 2.635 2.871 . 0 0 "[ . 1 . 2]" 1
579 1 41 GLU HA 1 41 GLU QB 2.520 . 2.520 2.395 2.279 2.478 . 0 0 "[ . 1 . 2]" 1
580 1 41 GLU HA 1 44 GLN H 3.620 . 3.620 3.547 3.463 3.651 0.031 9 0 "[ . 1 . 2]" 1
581 1 41 GLU HA 1 44 GLN QB 2.620 . 2.620 2.661 2.523 2.746 0.126 7 0 "[ . 1 . 2]" 1
582 1 41 GLU HA 1 45 MET H 4.520 . 4.520 4.105 3.788 4.333 . 0 0 "[ . 1 . 2]" 1
583 1 41 GLU H 1 41 GLU QB 3.370 . 3.370 2.328 2.173 2.399 . 0 0 "[ . 1 . 2]" 1
584 1 41 GLU H 1 41 GLU QG 3.180 . 3.180 2.546 2.196 3.948 0.768 11 2 "[ . 1+ . - 2]" 1
585 1 41 GLU H 1 42 VAL H 3.800 . 3.800 2.580 2.540 2.620 . 0 0 "[ . 1 . 2]" 1
586 1 41 GLU QG 1 42 VAL H 4.140 . 4.140 3.981 3.166 4.393 0.253 1 0 "[ . 1 . 2]" 1
587 1 42 VAL HA 1 44 GLN H 5.500 . 5.500 4.311 4.200 4.488 . 0 0 "[ . 1 . 2]" 1
588 1 42 VAL HA 1 45 MET H 4.340 . 4.340 3.356 3.233 3.514 . 0 0 "[ . 1 . 2]" 1
589 1 42 VAL HA 1 45 MET QB 4.340 . 4.340 2.631 2.502 2.869 . 0 0 "[ . 1 . 2]" 1
590 1 42 VAL HA 1 45 MET ME 4.920 . 4.920 3.636 2.064 5.010 0.090 17 0 "[ . 1 . 2]" 1
591 1 42 VAL HA 1 45 MET HG3 5.500 . 5.500 4.825 3.448 5.636 0.136 15 0 "[ . 1 . 2]" 1
592 1 42 VAL HA 1 45 MET HG2 5.500 . 5.500 4.871 3.554 5.492 . 0 0 "[ . 1 . 2]" 1
593 1 42 VAL HA 1 46 ILE H 4.240 . 4.240 4.015 3.795 4.254 0.014 16 0 "[ . 1 . 2]" 1
594 1 42 VAL HB 1 43 GLU H 2.990 . 2.990 2.520 2.471 2.605 . 0 0 "[ . 1 . 2]" 1
595 1 42 VAL H 1 42 VAL HB 3.200 . 3.200 2.456 2.420 2.506 . 0 0 "[ . 1 . 2]" 1
596 1 42 VAL H 1 42 VAL MG2 3.360 . 3.360 2.190 2.097 2.258 . 0 0 "[ . 1 . 2]" 1
597 1 42 VAL MG1 1 43 GLU HA 4.190 . 4.190 3.341 3.283 3.419 . 0 0 "[ . 1 . 2]" 1
598 1 42 VAL MG1 1 43 GLU H 4.960 . 4.960 3.263 3.180 3.354 . 0 0 "[ . 1 . 2]" 1
599 1 42 VAL MG1 1 46 ILE HB 5.040 . 5.040 4.188 3.836 4.599 . 0 0 "[ . 1 . 2]" 1
600 1 42 VAL MG1 1 46 ILE H 4.350 . 4.350 3.873 3.699 4.022 . 0 0 "[ . 1 . 2]" 1
601 1 42 VAL MG1 1 46 ILE HG13 4.400 . 4.400 2.749 2.366 3.249 . 0 0 "[ . 1 . 2]" 1
602 1 42 VAL MG1 1 46 ILE HG12 4.400 . 4.400 2.928 2.563 3.843 . 0 0 "[ . 1 . 2]" 1
603 1 42 VAL MG2 1 43 GLU H 4.760 . 4.760 3.867 3.810 3.922 . 0 0 "[ . 1 . 2]" 1
604 1 43 GLU HA 1 43 GLU QG 3.460 . 3.460 2.517 2.322 2.799 . 0 0 "[ . 1 . 2]" 1
605 1 43 GLU HA 1 43 GLU HG3 3.970 . 3.970 2.994 2.445 3.697 . 0 0 "[ . 1 . 2]" 1
606 1 43 GLU HA 1 43 GLU HG2 3.970 . 3.970 2.892 2.438 3.695 . 0 0 "[ . 1 . 2]" 1
607 1 43 GLU HA 1 46 ILE HB 3.690 . 3.690 2.835 2.363 3.169 . 0 0 "[ . 1 . 2]" 1
608 1 43 GLU HA 1 46 ILE H 3.940 . 3.940 3.544 3.368 3.699 . 0 0 "[ . 1 . 2]" 1
609 1 43 GLU HA 1 46 ILE QG 4.920 . 4.920 3.210 2.788 3.886 . 0 0 "[ . 1 . 2]" 1
610 1 43 GLU HA 1 47 LYS QG 4.000 . 4.000 3.860 3.450 4.615 0.615 15 1 "[ . 1 + 2]" 1
611 1 43 GLU H 1 43 GLU QB 2.680 . 2.680 2.341 2.233 2.400 . 0 0 "[ . 1 . 2]" 1
612 1 43 GLU H 1 43 GLU HB3 3.400 . 3.400 3.250 2.548 3.584 0.184 14 0 "[ . 1 . 2]" 1
613 1 43 GLU H 1 43 GLU HB2 3.400 . 3.400 2.434 2.367 2.534 . 0 0 "[ . 1 . 2]" 1
614 1 44 GLN HA 1 44 GLN QG 3.290 . 3.290 2.470 2.262 2.861 . 0 0 "[ . 1 . 2]" 1
615 1 44 GLN HA 1 47 LYS H 3.670 . 3.670 3.562 3.463 3.937 0.267 15 0 "[ . 1 . 2]" 1
616 1 44 GLN HA 1 47 LYS QB 2.570 . 2.570 2.665 2.515 3.927 1.357 15 1 "[ . 1 + 2]" 1
617 1 44 GLN HA 1 48 GLU H 4.670 . 4.670 3.705 3.536 3.922 . 0 0 "[ . 1 . 2]" 1
618 1 44 GLN H 1 44 GLN QB 3.130 . 3.130 2.277 2.260 2.316 . 0 0 "[ . 1 . 2]" 1
619 1 44 GLN H 1 44 GLN QG 4.570 . 4.570 3.352 2.469 4.061 . 0 0 "[ . 1 . 2]" 1
620 1 44 GLN H 1 44 GLN HG3 5.340 . 5.340 3.791 2.505 4.473 . 0 0 "[ . 1 . 2]" 1
621 1 44 GLN H 1 44 GLN HG2 5.340 . 5.340 4.029 2.589 4.669 . 0 0 "[ . 1 . 2]" 1
622 1 44 GLN H 1 47 LYS QG 5.340 . 5.340 4.940 4.322 5.266 . 0 0 "[ . 1 . 2]" 1
623 1 45 MET HA 1 45 MET ME 5.130 . 5.130 4.021 3.581 4.460 . 0 0 "[ . 1 . 2]" 1
624 1 45 MET HA 1 45 MET QG 3.030 . 3.030 2.401 2.211 2.868 . 0 0 "[ . 1 . 2]" 1
625 1 45 MET HA 1 45 MET HG3 3.690 . 3.690 2.682 2.349 3.676 . 0 0 "[ . 1 . 2]" 1
626 1 45 MET HA 1 45 MET HG2 3.690 . 3.690 2.948 2.302 3.705 0.015 9 0 "[ . 1 . 2]" 1
627 1 45 MET HA 1 48 GLU H 3.610 . 3.610 3.482 3.319 3.660 0.050 15 0 "[ . 1 . 2]" 1
628 1 45 MET HA 1 48 GLU QB 2.510 . 2.510 2.526 2.354 2.669 0.159 9 0 "[ . 1 . 2]" 1
629 1 45 MET HA 1 49 ALA H 4.610 . 4.610 3.631 3.396 3.892 . 0 0 "[ . 1 . 2]" 1
630 1 45 MET H 1 45 MET QB 2.660 . 2.660 2.245 2.223 2.318 . 0 0 "[ . 1 . 2]" 1
631 1 45 MET H 1 45 MET HB3 3.080 . 3.080 2.873 2.465 3.526 0.446 16 0 "[ . 1 . 2]" 1
632 1 45 MET H 1 45 MET HB2 3.080 . 3.080 2.422 2.248 2.554 . 0 0 "[ . 1 . 2]" 1
633 1 45 MET H 1 45 MET QG 3.540 . 3.540 3.397 2.207 4.003 0.463 14 0 "[ . 1 . 2]" 1
634 1 45 MET H 1 46 ILE QG 5.340 . 5.340 4.226 3.959 4.550 . 0 0 "[ . 1 . 2]" 1
635 1 45 MET QB 1 46 ILE H 3.150 . 3.150 2.546 2.446 2.669 . 0 0 "[ . 1 . 2]" 1
636 1 45 MET QB 1 46 ILE MD 4.600 . 4.600 4.112 3.262 4.693 0.093 15 0 "[ . 1 . 2]" 1
637 1 45 MET HB3 1 46 ILE H 4.010 . 4.010 2.881 2.476 3.530 . 0 0 "[ . 1 . 2]" 1
638 1 45 MET HB2 1 46 ILE H 4.010 . 4.010 3.439 2.582 3.908 . 0 0 "[ . 1 . 2]" 1
639 1 46 ILE HA 1 46 ILE MD 4.340 . 4.340 2.429 2.087 3.796 . 0 0 "[ . 1 . 2]" 1
640 1 46 ILE HA 1 49 ALA H 4.400 . 4.400 3.520 3.366 3.631 . 0 0 "[ . 1 . 2]" 1
641 1 46 ILE HA 1 49 ALA MB 4.420 . 4.420 2.622 2.478 2.798 . 0 0 "[ . 1 . 2]" 1
642 1 46 ILE HA 1 57 VAL HB 5.500 . 5.500 5.435 5.037 5.704 0.204 19 0 "[ . 1 . 2]" 1
643 1 46 ILE HA 1 57 VAL MG1 5.500 . 5.500 4.700 4.138 5.197 . 0 0 "[ . 1 . 2]" 1
644 1 46 ILE HA 1 57 VAL MG2 4.400 . 4.400 2.673 2.493 2.846 . 0 0 "[ . 1 . 2]" 1
645 1 46 ILE HA 1 65 MET ME 5.500 . 5.500 5.292 4.590 5.558 0.058 15 0 "[ . 1 . 2]" 1
646 1 46 ILE HB 1 47 LYS H 3.280 . 3.280 2.416 2.215 2.534 . 0 0 "[ . 1 . 2]" 1
647 1 46 ILE HB 1 57 VAL MG2 5.330 . 5.330 4.469 4.002 4.726 . 0 0 "[ . 1 . 2]" 1
648 1 46 ILE H 1 46 ILE HB 3.620 . 3.620 2.454 2.292 2.572 . 0 0 "[ . 1 . 2]" 1
649 1 46 ILE H 1 46 ILE MD 4.460 . 4.460 3.545 3.006 3.913 . 0 0 "[ . 1 . 2]" 1
650 1 46 ILE H 1 46 ILE QG 3.520 . 3.520 2.140 1.893 2.497 . 0 0 "[ . 1 . 2]" 1
651 1 46 ILE MD 1 49 ALA MB 5.500 . 5.500 3.976 3.558 5.340 . 0 0 "[ . 1 . 2]" 1
652 1 46 ILE MD 1 56 GLN HA 5.500 . 5.500 4.444 4.082 4.817 . 0 0 "[ . 1 . 2]" 1
653 1 46 ILE MD 1 57 VAL HA 5.500 . 5.500 4.800 4.523 5.590 0.090 19 0 "[ . 1 . 2]" 1
654 1 46 ILE MD 1 57 VAL HB 4.900 . 4.900 3.749 3.279 4.708 . 0 0 "[ . 1 . 2]" 1
655 1 46 ILE MD 1 57 VAL H 5.500 . 5.500 3.884 3.678 4.357 . 0 0 "[ . 1 . 2]" 1
656 1 46 ILE MD 1 57 VAL MG1 4.380 . 4.380 4.018 3.728 4.784 0.404 9 0 "[ . 1 . 2]" 1
657 1 46 ILE MD 1 57 VAL MG2 3.250 . 3.250 2.056 1.878 2.702 . 0 0 "[ . 1 . 2]" 1
658 1 46 ILE QG 1 57 VAL MG2 4.710 . 4.710 3.471 2.029 3.799 . 0 0 "[ . 1 . 2]" 1
659 1 46 ILE MG 1 47 LYS HA 4.430 . 4.430 3.393 2.877 3.592 . 0 0 "[ . 1 . 2]" 1
660 1 46 ILE MG 1 47 LYS H 4.560 . 4.560 3.237 2.475 3.407 . 0 0 "[ . 1 . 2]" 1
661 1 46 ILE MG 1 47 LYS QG 3.810 . 3.810 3.381 3.112 4.229 0.419 15 0 "[ . 1 . 2]" 1
662 1 46 ILE MG 1 48 GLU H 5.500 . 5.500 4.998 4.452 5.158 . 0 0 "[ . 1 . 2]" 1
663 1 46 ILE MG 1 49 ALA MB 5.380 . 5.380 3.917 3.713 4.087 . 0 0 "[ . 1 . 2]" 1
664 1 46 ILE MG 1 50 ASP HA 5.500 . 5.500 4.990 4.331 5.455 . 0 0 "[ . 1 . 2]" 1
665 1 46 ILE MG 1 50 ASP H 5.500 . 5.500 4.132 3.789 4.356 . 0 0 "[ . 1 . 2]" 1
666 1 46 ILE MG 1 50 ASP HB3 4.480 . 4.480 4.369 3.800 4.593 0.113 2 0 "[ . 1 . 2]" 1
667 1 46 ILE MG 1 55 GLY H 5.500 . 5.500 4.511 3.868 5.124 . 0 0 "[ . 1 . 2]" 1
668 1 46 ILE MG 1 56 GLN HA 4.510 . 4.510 3.658 3.266 3.921 . 0 0 "[ . 1 . 2]" 1
669 1 46 ILE MG 1 56 GLN H 5.500 . 5.500 4.482 4.136 4.992 . 0 0 "[ . 1 . 2]" 1
670 1 46 ILE MG 1 57 VAL HA 5.500 . 5.500 4.225 3.690 4.711 . 0 0 "[ . 1 . 2]" 1
671 1 46 ILE MG 1 57 VAL H 5.500 . 5.500 3.722 3.499 4.020 . 0 0 "[ . 1 . 2]" 1
672 1 47 LYS HA 1 47 LYS HB3 2.670 . 2.670 2.505 2.479 2.557 . 0 0 "[ . 1 . 2]" 1
673 1 47 LYS HA 1 47 LYS QG 3.670 . 3.670 2.460 2.246 3.271 . 0 0 "[ . 1 . 2]" 1
674 1 47 LYS HA 1 47 LYS HG3 4.230 . 4.230 3.265 2.807 3.711 . 0 0 "[ . 1 . 2]" 1
675 1 47 LYS HA 1 47 LYS HG2 4.230 . 4.230 2.559 2.322 3.644 . 0 0 "[ . 1 . 2]" 1
676 1 47 LYS HA 1 49 ALA H 4.340 . 4.340 4.386 4.288 4.430 0.090 4 0 "[ . 1 . 2]" 1
677 1 47 LYS HA 1 50 ASP H 4.310 . 4.310 3.515 3.416 3.614 . 0 0 "[ . 1 . 2]" 1
678 1 47 LYS HA 1 50 ASP HB3 4.180 . 4.180 3.483 2.637 4.254 0.074 7 0 "[ . 1 . 2]" 1
679 1 47 LYS HA 1 50 ASP HB2 4.850 . 4.850 3.198 2.611 3.781 . 0 0 "[ . 1 . 2]" 1
680 1 47 LYS H 1 47 LYS HB2 2.650 . 3.650 2.459 2.326 3.571 . 0 0 "[ . 1 . 2]" 1
681 1 47 LYS H 1 47 LYS QG 3.730 . 3.730 2.268 2.152 2.456 . 0 0 "[ . 1 . 2]" 1
682 1 47 LYS H 1 49 ALA H 4.540 . 4.540 3.975 3.905 4.086 . 0 0 "[ . 1 . 2]" 1
683 1 47 LYS HB2 1 48 GLU H 3.520 . 3.520 2.651 2.520 3.819 0.299 15 0 "[ . 1 . 2]" 1
684 1 47 LYS HB2 1 49 ALA H 5.410 . 5.410 4.934 4.842 5.632 0.222 15 0 "[ . 1 . 2]" 1
685 1 47 LYS HB3 1 49 ALA H 5.500 . 5.500 5.498 5.406 5.639 0.139 15 0 "[ . 1 . 2]" 1
686 1 47 LYS HB3 1 50 ASP H 5.500 . 5.500 5.394 5.290 5.811 0.311 15 0 "[ . 1 . 2]" 1
687 1 47 LYS QG 1 48 GLU H 4.980 . 4.980 3.967 1.982 4.166 . 0 0 "[ . 1 . 2]" 1
688 1 47 LYS QG 1 49 ALA H 5.340 . 5.340 5.478 4.077 5.630 0.290 4 0 "[ . 1 . 2]" 1
689 1 48 GLU HA 1 48 GLU HB3 2.770 . 2.770 2.953 2.520 3.005 0.235 3 0 "[ . 1 . 2]" 1
690 1 48 GLU HA 1 48 GLU HG3 4.220 . 4.220 2.644 2.359 3.668 . 0 0 "[ . 1 . 2]" 1
691 1 48 GLU HA 1 48 GLU HG2 4.220 . 4.220 3.113 2.342 3.661 . 0 0 "[ . 1 . 2]" 1
692 1 48 GLU HA 1 50 ASP H 4.950 . 4.950 4.284 4.179 4.392 . 0 0 "[ . 1 . 2]" 1
693 1 48 GLU H 1 48 GLU HB3 3.430 . 3.430 2.688 2.482 3.562 0.132 13 0 "[ . 1 . 2]" 1
694 1 48 GLU H 1 48 GLU HB2 3.570 . 3.570 2.455 2.362 2.562 . 0 0 "[ . 1 . 2]" 1
695 1 48 GLU H 1 48 GLU QG 4.260 . 4.260 3.819 2.290 4.054 . 0 0 "[ . 1 . 2]" 1
696 1 48 GLU H 1 48 GLU HG3 5.100 . 5.100 4.285 2.318 4.626 . 0 0 "[ . 1 . 2]" 1
697 1 48 GLU H 1 48 GLU HG2 5.100 . 5.100 4.368 2.325 4.658 . 0 0 "[ . 1 . 2]" 1
698 1 48 GLU H 1 49 ALA H 3.620 . 3.620 2.525 2.457 2.600 . 0 0 "[ . 1 . 2]" 1
699 1 48 GLU H 1 49 ALA MB 4.420 . 4.420 4.266 4.192 4.343 . 0 0 "[ . 1 . 2]" 1
700 1 48 GLU H 1 50 ASP H 4.340 . 4.340 3.945 3.867 4.005 . 0 0 "[ . 1 . 2]" 1
701 1 48 GLU HB2 1 49 ALA H 3.670 . 3.670 3.711 2.677 3.880 0.210 15 0 "[ . 1 . 2]" 1
702 1 48 GLU HB2 1 50 ASP H 5.500 . 5.500 5.584 4.909 5.704 0.204 15 0 "[ . 1 . 2]" 1
703 1 48 GLU QG 1 49 ALA H 5.340 . 5.340 3.874 3.762 4.166 . 0 0 "[ . 1 . 2]" 1
704 1 48 GLU QG 1 49 ALA MB 4.770 . 4.770 4.528 4.334 5.326 0.556 13 1 "[ . 1 + . 2]" 1
705 1 48 GLU QG 1 50 ASP H 5.340 . 5.340 5.294 5.117 5.586 0.246 5 0 "[ . 1 . 2]" 1
706 1 49 ALA HA 1 65 MET H 5.500 . 5.500 5.289 4.887 5.565 0.065 17 0 "[ . 1 . 2]" 1
707 1 49 ALA HA 1 65 MET ME 5.500 . 5.500 5.554 5.294 5.724 0.224 20 0 "[ . 1 . 2]" 1
708 1 49 ALA HA 1 65 MET QG 5.340 . 5.340 3.844 3.280 4.173 . 0 0 "[ . 1 . 2]" 1
709 1 49 ALA H 1 49 ALA MB 3.160 . 3.160 2.260 2.213 2.297 . 0 0 "[ . 1 . 2]" 1
710 1 49 ALA H 1 50 ASP H 2.690 . 2.690 2.472 2.329 2.571 . 0 0 "[ . 1 . 2]" 1
711 1 49 ALA H 1 50 ASP HB2 5.500 . 5.500 4.639 4.395 4.835 . 0 0 "[ . 1 . 2]" 1
712 1 49 ALA MB 1 50 ASP H 4.050 . 4.050 2.768 2.723 2.799 . 0 0 "[ . 1 . 2]" 1
713 1 49 ALA MB 1 57 VAL HA 5.500 . 5.500 4.242 3.998 4.483 . 0 0 "[ . 1 . 2]" 1
714 1 49 ALA MB 1 61 GLU HB2 3.860 . 3.860 3.965 3.047 4.173 0.313 15 0 "[ . 1 . 2]" 1
715 1 49 ALA MB 1 62 PHE HA 4.580 . 4.580 4.205 3.916 4.423 . 0 0 "[ . 1 . 2]" 1
716 1 49 ALA MB 1 62 PHE H 5.500 . 5.500 5.095 4.856 5.254 . 0 0 "[ . 1 . 2]" 1
717 1 49 ALA MB 1 65 MET HA 5.410 . 5.410 4.165 3.714 4.625 . 0 0 "[ . 1 . 2]" 1
718 1 49 ALA MB 1 65 MET H 5.500 . 5.500 4.239 3.981 4.634 . 0 0 "[ . 1 . 2]" 1
719 1 49 ALA MB 1 65 MET HB2 3.800 . 3.800 2.439 2.203 2.826 . 0 0 "[ . 1 . 2]" 1
720 1 49 ALA MB 1 65 MET ME 4.270 . 4.270 3.378 3.177 3.567 . 0 0 "[ . 1 . 2]" 1
721 1 49 ALA MB 1 65 MET QG 4.270 . 4.270 2.535 2.113 3.110 . 0 0 "[ . 1 . 2]" 1
722 1 50 ASP HA 1 51 LEU H 3.250 . 3.250 2.124 2.075 2.230 . 0 0 "[ . 1 . 2]" 1
723 1 50 ASP HA 1 52 ASP H 5.500 . 5.500 3.566 3.492 3.628 . 0 0 "[ . 1 . 2]" 1
724 1 50 ASP HA 1 57 VAL MG2 5.300 . 5.300 4.075 3.599 4.452 . 0 0 "[ . 1 . 2]" 1
725 1 50 ASP HA 1 61 GLU QG 3.660 . 3.660 2.817 2.636 3.129 . 0 0 "[ . 1 . 2]" 1
726 1 50 ASP H 1 50 ASP HB3 3.400 . 3.400 2.969 2.486 3.575 0.175 7 0 "[ . 1 . 2]" 1
727 1 50 ASP H 1 50 ASP HB2 3.630 . 3.630 2.412 2.173 2.612 . 0 0 "[ . 1 . 2]" 1
728 1 50 ASP H 1 51 LEU H 5.500 . 5.500 4.403 4.205 4.495 . 0 0 "[ . 1 . 2]" 1
729 1 50 ASP H 1 57 VAL MG2 5.500 . 5.500 4.069 3.536 4.529 . 0 0 "[ . 1 . 2]" 1
730 1 50 ASP H 1 61 GLU HB2 5.500 . 5.500 5.782 4.910 5.896 0.396 11 0 "[ . 1 . 2]" 1
731 1 50 ASP HB3 1 55 GLY H 5.500 . 5.500 3.651 3.256 4.160 . 0 0 "[ . 1 . 2]" 1
732 1 50 ASP HB2 1 51 LEU HA 5.500 . 5.500 5.624 5.143 5.979 0.479 19 0 "[ . 1 . 2]" 1
733 1 50 ASP HB2 1 51 LEU H 4.040 . 4.040 4.365 4.260 4.465 0.425 19 0 "[ . 1 . 2]" 1
734 1 50 ASP HB2 1 55 GLY H 5.500 . 5.500 3.916 3.421 4.789 . 0 0 "[ . 1 . 2]" 1
735 1 50 ASP HB2 1 61 GLU QG 5.500 . 5.500 5.222 4.697 5.509 0.009 2 0 "[ . 1 . 2]" 1
736 1 51 LEU HA 1 51 LEU QD 3.650 . 3.650 2.380 2.062 3.424 . 0 0 "[ . 1 . 2]" 1
737 1 51 LEU HA 1 53 GLY H 5.500 . 5.500 3.837 3.644 4.048 . 0 0 "[ . 1 . 2]" 1
738 1 51 LEU HG 1 52 ASP HA 5.500 . 5.500 4.194 3.643 4.836 . 0 0 "[ . 1 . 2]" 1
739 1 51 LEU HG 1 52 ASP H 4.930 . 4.930 4.198 2.476 4.679 . 0 0 "[ . 1 . 2]" 1
740 1 51 LEU H 1 51 LEU QB 3.110 . 3.110 2.335 2.256 2.722 . 0 0 "[ . 1 . 2]" 1
741 1 51 LEU H 1 51 LEU MD1 4.340 . 4.340 4.107 3.506 4.394 0.054 19 0 "[ . 1 . 2]" 1
742 1 51 LEU H 1 51 LEU MD2 4.340 . 4.340 4.245 2.855 4.402 0.062 20 0 "[ . 1 . 2]" 1
743 1 51 LEU H 1 61 GLU HA 5.500 . 5.500 4.696 3.798 5.205 . 0 0 "[ . 1 . 2]" 1
744 1 51 LEU H 1 61 GLU QG 4.440 . 4.440 2.096 1.733 3.607 . 0 0 "[ . 1 . 2]" 1
745 1 51 LEU QB 1 52 ASP HA 5.340 . 5.340 4.273 4.054 4.466 . 0 0 "[ . 1 . 2]" 1
746 1 51 LEU QB 1 52 ASP H 3.960 . 3.960 2.952 2.749 3.705 . 0 0 "[ . 1 . 2]" 1
747 1 51 LEU HB3 1 52 ASP H 4.610 . 4.610 3.051 2.795 4.259 . 0 0 "[ . 1 . 2]" 1
748 1 51 LEU HB2 1 52 ASP H 4.610 . 4.610 4.041 3.937 4.155 . 0 0 "[ . 1 . 2]" 1
749 1 51 LEU QD 1 60 GLU QB 4.930 . 4.930 4.592 3.024 5.051 0.121 9 0 "[ . 1 . 2]" 1
750 1 51 LEU QD 1 60 GLU QG 4.850 . 4.850 3.941 2.993 4.453 . 0 0 "[ . 1 . 2]" 1
751 1 51 LEU QD 1 61 GLU HA 5.000 . 5.000 4.790 3.662 5.170 0.170 16 0 "[ . 1 . 2]" 1
752 1 51 LEU QD 1 61 GLU QG 5.300 . 5.300 3.669 2.051 4.914 . 0 0 "[ . 1 . 2]" 1
753 1 52 ASP H 1 53 GLY H 3.270 . 3.270 2.489 2.351 2.581 . 0 0 "[ . 1 . 2]" 1
754 1 52 ASP H 1 53 GLY QA 5.340 . 5.340 4.277 4.117 4.465 . 0 0 "[ . 1 . 2]" 1
755 1 53 GLY H 1 54 ASP H 3.700 . 3.700 2.880 2.555 3.153 . 0 0 "[ . 1 . 2]" 1
756 1 53 GLY QA 1 55 GLY H 4.860 . 4.860 3.203 3.014 3.400 . 0 0 "[ . 1 . 2]" 1
757 1 54 ASP H 1 54 ASP QB 3.610 . 3.610 2.628 2.480 2.850 . 0 0 "[ . 1 . 2]" 1
758 1 54 ASP H 1 54 ASP HB3 4.180 . 4.180 2.701 2.527 2.976 . 0 0 "[ . 1 . 2]" 1
759 1 54 ASP H 1 54 ASP HB2 4.180 . 4.180 3.626 3.594 3.684 . 0 0 "[ . 1 . 2]" 1
760 1 54 ASP H 1 55 GLY H 3.960 . 3.960 2.360 2.126 2.598 . 0 0 "[ . 1 . 2]" 1
761 1 54 ASP QB 1 56 GLN H 5.310 . 5.310 3.358 3.218 3.524 . 0 0 "[ . 1 . 2]" 1
762 1 54 ASP HB3 1 55 GLY H 5.500 . 5.500 4.181 4.095 4.321 . 0 0 "[ . 1 . 2]" 1
763 1 54 ASP HB2 1 55 GLY H 5.500 . 5.500 4.106 4.008 4.189 . 0 0 "[ . 1 . 2]" 1
764 1 55 GLY H 1 56 GLN H 3.750 . 3.750 2.401 2.308 2.493 . 0 0 "[ . 1 . 2]" 1
765 1 55 GLY H 1 56 GLN HB2 5.500 . 5.500 4.617 4.381 4.887 . 0 0 "[ . 1 . 2]" 1
766 1 55 GLY H 1 56 GLN QG 5.340 . 5.340 5.414 4.854 5.577 0.237 4 0 "[ . 1 . 2]" 1
767 1 55 GLY QA 1 56 GLN HA 5.310 . 5.310 4.049 4.043 4.058 . 0 0 "[ . 1 . 2]" 1
768 1 55 GLY QA 1 56 GLN QG 4.470 . 4.470 4.111 3.607 4.349 . 0 0 "[ . 1 . 2]" 1
769 1 56 GLN HA 1 56 GLN QG 3.640 . 3.640 2.251 2.165 2.704 . 0 0 "[ . 1 . 2]" 1
770 1 56 GLN HA 1 57 VAL H 3.360 . 3.360 2.199 2.160 2.260 . 0 0 "[ . 1 . 2]" 1
771 1 56 GLN HA 1 57 VAL MG2 5.340 . 5.340 3.757 3.327 3.939 . 0 0 "[ . 1 . 2]" 1
772 1 56 GLN H 1 56 GLN HB2 3.810 . 3.810 2.330 2.247 2.531 . 0 0 "[ . 1 . 2]" 1
773 1 56 GLN H 1 56 GLN HB3 3.960 . 3.960 3.446 3.366 3.683 . 0 0 "[ . 1 . 2]" 1
774 1 56 GLN H 1 58 ASN H 5.500 . 5.500 5.808 5.518 5.995 0.495 16 0 "[ . 1 . 2]" 1
775 1 56 GLN HB2 1 57 VAL HA 5.500 . 5.500 5.472 5.104 5.623 0.123 4 0 "[ . 1 . 2]" 1
776 1 56 GLN HB3 1 57 VAL H 4.720 . 4.720 3.277 2.899 3.485 . 0 0 "[ . 1 . 2]" 1
777 1 56 GLN QG 1 57 VAL H 4.880 . 4.880 3.520 3.183 4.498 . 0 0 "[ . 1 . 2]" 1
778 1 57 VAL HA 1 58 ASN H 3.180 . 3.180 2.213 2.171 2.278 . 0 0 "[ . 1 . 2]" 1
779 1 57 VAL HA 1 61 GLU HB3 5.020 . 5.020 3.777 3.401 4.190 . 0 0 "[ . 1 . 2]" 1
780 1 57 VAL HA 1 61 GLU HB2 4.840 . 4.840 3.035 2.786 3.330 . 0 0 "[ . 1 . 2]" 1
781 1 57 VAL HA 1 62 PHE H 5.500 . 5.500 4.933 4.533 5.189 . 0 0 "[ . 1 . 2]" 1
782 1 57 VAL H 1 57 VAL HB 3.620 . 3.620 2.378 2.278 2.619 . 0 0 "[ . 1 . 2]" 1
783 1 57 VAL H 1 57 VAL MG2 3.810 . 3.810 2.488 2.083 2.799 . 0 0 "[ . 1 . 2]" 1
784 1 57 VAL MG1 1 58 ASN H 4.350 . 4.350 2.968 2.817 3.363 . 0 0 "[ . 1 . 2]" 1
785 1 57 VAL MG1 1 61 GLU H 5.500 . 5.500 4.191 4.012 4.572 . 0 0 "[ . 1 . 2]" 1
786 1 57 VAL MG1 1 61 GLU HB3 3.920 . 3.920 3.069 2.514 4.019 0.099 19 0 "[ . 1 . 2]" 1
787 1 57 VAL MG1 1 62 PHE HA 3.830 . 3.830 2.725 2.580 2.985 . 0 0 "[ . 1 . 2]" 1
788 1 57 VAL MG1 1 62 PHE H 3.940 . 3.940 2.851 2.616 3.172 . 0 0 "[ . 1 . 2]" 1
789 1 57 VAL MG1 1 62 PHE QB 4.730 . 4.730 2.222 2.030 2.374 . 0 0 "[ . 1 . 2]" 1
790 1 57 VAL MG1 1 62 PHE HB3 5.500 . 5.500 3.672 3.399 3.882 . 0 0 "[ . 1 . 2]" 1
791 1 57 VAL MG1 1 62 PHE HB2 5.500 . 5.500 2.241 2.046 2.395 . 0 0 "[ . 1 . 2]" 1
792 1 57 VAL MG1 1 62 PHE QD 4.270 . 4.270 2.486 2.260 2.691 . 0 0 "[ . 1 . 2]" 1
793 1 57 VAL MG2 1 58 ASN H 5.500 . 5.500 4.048 3.906 4.349 . 0 0 "[ . 1 . 2]" 1
794 1 57 VAL MG2 1 62 PHE HA 5.500 . 5.500 4.580 3.949 5.000 . 0 0 "[ . 1 . 2]" 1
795 1 57 VAL MG2 1 62 PHE H 5.500 . 5.500 5.115 4.586 5.522 0.022 19 0 "[ . 1 . 2]" 1
796 1 57 VAL MG2 1 62 PHE QD 4.360 . 4.360 4.251 3.907 4.422 0.062 19 0 "[ . 1 . 2]" 1
797 1 57 VAL MG2 1 65 MET ME 5.230 . 5.230 3.853 3.115 4.541 . 0 0 "[ . 1 . 2]" 1
798 1 58 ASN HA 1 62 PHE H 5.500 . 5.500 4.805 4.598 4.935 . 0 0 "[ . 1 . 2]" 1
799 1 58 ASN H 1 61 GLU HB3 3.990 . 3.990 3.748 3.406 4.057 0.067 9 0 "[ . 1 . 2]" 1
800 1 58 ASN H 1 61 GLU HB2 4.190 . 4.190 2.293 1.885 3.403 . 0 0 "[ . 1 . 2]" 1
801 1 58 ASN QB 1 59 TYR H 3.510 . 3.510 2.988 2.237 3.281 . 0 0 "[ . 1 . 2]" 1
802 1 59 TYR HA 1 59 TYR QD 3.700 . 3.700 2.658 2.444 3.016 . 0 0 "[ . 1 . 2]" 1
803 1 59 TYR HA 1 59 TYR QE 4.370 . 4.370 4.478 4.408 4.590 0.220 12 0 "[ . 1 . 2]" 1
804 1 59 TYR HA 1 62 PHE H 3.810 . 3.810 3.474 3.291 3.669 . 0 0 "[ . 1 . 2]" 1
805 1 59 TYR HA 1 62 PHE QB 4.010 . 4.010 2.501 2.267 2.718 . 0 0 "[ . 1 . 2]" 1
806 1 59 TYR HA 1 63 VAL H 4.810 . 4.810 3.640 3.396 3.867 . 0 0 "[ . 1 . 2]" 1
807 1 59 TYR H 1 59 TYR QB 2.840 . 2.840 2.249 2.215 2.264 . 0 0 "[ . 1 . 2]" 1
808 1 59 TYR H 1 59 TYR HB3 3.370 . 3.370 2.664 2.559 2.796 . 0 0 "[ . 1 . 2]" 1
809 1 59 TYR H 1 59 TYR HB2 3.370 . 3.370 2.429 2.326 2.502 . 0 0 "[ . 1 . 2]" 1
810 1 59 TYR H 1 59 TYR QD 5.500 . 5.500 4.141 4.056 4.178 . 0 0 "[ . 1 . 2]" 1
811 1 59 TYR H 1 60 GLU H 3.430 . 3.430 2.964 2.862 3.059 . 0 0 "[ . 1 . 2]" 1
812 1 59 TYR QB 1 60 GLU H 3.140 . 3.140 2.413 2.293 2.540 . 0 0 "[ . 1 . 2]" 1
813 1 59 TYR QB 1 62 PHE H 5.340 . 5.340 4.931 4.796 5.038 . 0 0 "[ . 1 . 2]" 1
814 1 59 TYR QD 1 60 GLU H 5.500 . 5.500 3.376 3.190 3.635 . 0 0 "[ . 1 . 2]" 1
815 1 59 TYR QD 1 62 PHE QB 5.070 . 5.070 3.988 3.678 4.284 . 0 0 "[ . 1 . 2]" 1
816 1 59 TYR QD 1 62 PHE QD 4.500 . 4.500 4.187 3.812 4.587 0.087 5 0 "[ . 1 . 2]" 1
817 1 59 TYR QD 1 63 VAL QG 4.370 . 4.370 3.093 2.740 3.382 . 0 0 "[ . 1 . 2]" 1
818 1 60 GLU HA 1 63 VAL HB 4.030 . 4.030 3.416 2.567 4.188 0.158 9 0 "[ . 1 . 2]" 1
819 1 60 GLU HA 1 63 VAL H 3.600 . 3.600 3.730 3.521 3.857 0.257 12 0 "[ . 1 . 2]" 1
820 1 60 GLU HA 1 63 VAL QG 4.170 . 4.170 2.697 2.072 3.479 . 0 0 "[ . 1 . 2]" 1
821 1 60 GLU HA 1 63 VAL MG1 5.360 . 5.360 3.065 2.075 4.164 . 0 0 "[ . 1 . 2]" 1
822 1 60 GLU HA 1 63 VAL MG2 5.360 . 5.360 4.034 3.242 4.650 . 0 0 "[ . 1 . 2]" 1
823 1 60 GLU HA 1 64 LYS H 5.500 . 5.500 3.778 3.684 3.891 . 0 0 "[ . 1 . 2]" 1
824 1 60 GLU HA 1 64 LYS HB3 5.130 . 5.130 5.254 5.044 5.393 0.263 18 0 "[ . 1 . 2]" 1
825 1 60 GLU H 1 60 GLU HB3 3.280 . 3.280 2.595 2.279 2.704 . 0 0 "[ . 1 . 2]" 1
826 1 60 GLU H 1 60 GLU HB2 3.280 . 3.280 2.545 2.354 3.534 0.254 1 0 "[ . 1 . 2]" 1
827 1 60 GLU H 1 61 GLU HA 5.500 . 5.500 5.373 5.344 5.398 . 0 0 "[ . 1 . 2]" 1
828 1 60 GLU H 1 61 GLU H 4.180 . 4.180 2.809 2.772 2.841 . 0 0 "[ . 1 . 2]" 1
829 1 60 GLU QB 1 63 VAL QG 4.780 . 4.780 4.172 3.440 4.781 0.001 19 0 "[ . 1 . 2]" 1
830 1 60 GLU QG 1 63 VAL QG 4.340 . 4.340 3.830 3.179 4.484 0.144 7 0 "[ . 1 . 2]" 1
831 1 60 GLU QG 1 64 LYS H 4.770 . 4.770 4.245 3.848 4.879 0.109 15 0 "[ . 1 . 2]" 1
832 1 61 GLU HA 1 61 GLU HB2 2.730 . 2.730 3.000 2.809 3.032 0.302 7 0 "[ . 1 . 2]" 1
833 1 61 GLU HA 1 63 VAL QG 5.150 . 5.150 4.749 4.111 5.403 0.253 11 0 "[ . 1 . 2]" 1
834 1 61 GLU HA 1 64 LYS H 4.500 . 4.500 3.509 3.369 3.637 . 0 0 "[ . 1 . 2]" 1
835 1 61 GLU HA 1 64 LYS QB 2.710 . 2.710 2.353 2.273 2.470 . 0 0 "[ . 1 . 2]" 1
836 1 61 GLU HA 1 65 MET H 4.500 . 4.500 3.519 3.394 3.644 . 0 0 "[ . 1 . 2]" 1
837 1 61 GLU H 1 61 GLU HB3 3.400 . 3.400 3.563 3.226 3.607 0.207 9 0 "[ . 1 . 2]" 1
838 1 61 GLU H 1 61 GLU QG 4.090 . 4.090 2.223 1.668 2.379 . 0 0 "[ . 1 . 2]" 1
839 1 61 GLU H 1 62 PHE H 4.080 . 4.080 2.589 2.508 2.667 . 0 0 "[ . 1 . 2]" 1
840 1 61 GLU HB3 1 62 PHE HA 5.500 . 5.500 4.504 4.393 5.463 . 0 0 "[ . 1 . 2]" 1
841 1 61 GLU HB3 1 62 PHE H 4.290 . 4.290 3.731 3.605 4.211 . 0 0 "[ . 1 . 2]" 1
842 1 61 GLU HB2 1 62 PHE H 4.530 . 4.530 2.733 2.588 3.188 . 0 0 "[ . 1 . 2]" 1
843 1 61 GLU HB2 1 63 VAL H 5.500 . 5.500 5.311 5.129 5.495 . 0 0 "[ . 1 . 2]" 1
844 1 61 GLU QG 1 62 PHE H 5.500 . 5.500 4.060 2.440 4.201 . 0 0 "[ . 1 . 2]" 1
845 1 62 PHE HA 1 62 PHE QD 3.720 . 3.720 2.385 2.303 2.545 . 0 0 "[ . 1 . 2]" 1
846 1 62 PHE HA 1 63 VAL QG 5.440 . 5.440 4.814 4.705 4.917 . 0 0 "[ . 1 . 2]" 1
847 1 62 PHE HA 1 65 MET H 3.700 . 3.700 3.542 3.468 3.625 . 0 0 "[ . 1 . 2]" 1
848 1 62 PHE HA 1 65 MET HB3 3.940 . 3.940 2.754 2.465 3.074 . 0 0 "[ . 1 . 2]" 1
849 1 62 PHE HA 1 65 MET ME 4.220 . 4.220 3.044 2.426 3.970 . 0 0 "[ . 1 . 2]" 1
850 1 62 PHE HA 1 65 MET QG 5.340 . 5.340 4.600 4.371 4.813 . 0 0 "[ . 1 . 2]" 1
851 1 62 PHE HA 1 66 MET HB3 5.500 . 5.500 5.269 4.804 5.529 0.029 15 0 "[ . 1 . 2]" 1
852 1 62 PHE HA 1 66 MET HB2 5.500 . 5.500 4.404 4.026 4.650 . 0 0 "[ . 1 . 2]" 1
853 1 62 PHE HA 1 66 MET ME 5.500 . 5.500 5.389 4.673 5.708 0.208 10 0 "[ . 1 . 2]" 1
854 1 62 PHE H 1 62 PHE QB 3.330 . 3.330 2.255 2.240 2.266 . 0 0 "[ . 1 . 2]" 1
855 1 62 PHE H 1 62 PHE HB3 3.840 . 3.840 2.597 2.545 2.673 . 0 0 "[ . 1 . 2]" 1
856 1 62 PHE H 1 62 PHE HB2 3.840 . 3.840 2.478 2.404 2.538 . 0 0 "[ . 1 . 2]" 1
857 1 62 PHE H 1 62 PHE QD 5.500 . 5.500 4.161 4.117 4.183 . 0 0 "[ . 1 . 2]" 1
858 1 62 PHE H 1 63 VAL HB 5.500 . 5.500 4.908 4.647 5.185 . 0 0 "[ . 1 . 2]" 1
859 1 62 PHE H 1 63 VAL H 4.220 . 4.220 2.752 2.669 2.820 . 0 0 "[ . 1 . 2]" 1
860 1 62 PHE H 1 64 LYS HB2 5.500 . 5.500 5.618 5.542 5.706 0.206 19 0 "[ . 1 . 2]" 1
861 1 62 PHE QB 1 63 VAL H 4.400 . 4.400 2.260 2.166 2.358 . 0 0 "[ . 1 . 2]" 1
862 1 62 PHE QB 1 65 MET ME 5.340 . 5.340 4.397 3.832 5.241 . 0 0 "[ . 1 . 2]" 1
863 1 62 PHE QD 1 63 VAL H 4.630 . 4.630 3.491 3.209 3.677 . 0 0 "[ . 1 . 2]" 1
864 1 62 PHE QD 1 65 MET ME 4.270 . 4.270 2.786 2.261 3.955 . 0 0 "[ . 1 . 2]" 1
865 1 62 PHE QD 1 66 MET HB3 5.500 . 5.500 4.699 4.427 4.903 . 0 0 "[ . 1 . 2]" 1
866 1 62 PHE QD 1 66 MET HB2 5.500 . 5.500 3.976 3.683 4.177 . 0 0 "[ . 1 . 2]" 1
867 1 62 PHE QD 1 66 MET ME 4.320 . 4.320 3.759 3.542 4.021 . 0 0 "[ . 1 . 2]" 1
868 1 63 VAL HA 1 66 MET H 4.500 . 4.500 3.446 3.349 3.588 . 0 0 "[ . 1 . 2]" 1
869 1 63 VAL HA 1 66 MET QB 4.620 . 4.620 2.325 2.258 2.426 . 0 0 "[ . 1 . 2]" 1
870 1 63 VAL HA 1 66 MET ME 4.930 . 4.930 4.338 2.258 4.932 0.002 16 0 "[ . 1 . 2]" 1
871 1 63 VAL HA 1 66 MET QG 4.930 . 4.930 4.138 3.723 4.400 . 0 0 "[ . 1 . 2]" 1
872 1 63 VAL HA 1 67 MET QB 5.340 . 5.340 5.155 4.641 5.386 0.046 15 0 "[ . 1 . 2]" 1
873 1 63 VAL H 1 63 VAL HB 3.200 . 3.200 2.416 2.353 2.468 . 0 0 "[ . 1 . 2]" 1
874 1 63 VAL H 1 63 VAL QG 3.210 . 3.210 2.200 2.062 2.368 . 0 0 "[ . 1 . 2]" 1
875 1 63 VAL H 1 63 VAL MG1 3.900 . 3.900 2.944 2.072 3.745 . 0 0 "[ . 1 . 2]" 1
876 1 63 VAL H 1 63 VAL MG2 3.900 . 3.900 3.013 2.166 3.754 . 0 0 "[ . 1 . 2]" 1
877 1 63 VAL H 1 64 LYS H 4.050 . 4.050 2.718 2.686 2.747 . 0 0 "[ . 1 . 2]" 1
878 1 63 VAL QG 1 64 LYS HA 4.050 . 4.050 3.076 2.910 3.265 . 0 0 "[ . 1 . 2]" 1
879 1 63 VAL QG 1 64 LYS H 4.410 . 4.410 2.418 1.742 3.063 . 0 0 "[ . 1 . 2]" 1
880 1 63 VAL QG 1 66 MET ME 4.950 . 4.950 4.636 2.437 5.035 0.085 15 0 "[ . 1 . 2]" 1
881 1 63 VAL QG 1 67 MET QB 4.200 . 4.200 3.784 3.229 3.981 . 0 0 "[ . 1 . 2]" 1
882 1 63 VAL QG 1 67 MET QG 4.500 . 4.500 2.637 2.102 3.580 . 0 0 "[ . 1 . 2]" 1
883 1 63 VAL MG1 1 64 LYS H 5.500 . 5.500 2.482 1.746 3.209 . 0 0 "[ . 1 . 2]" 1
884 1 63 VAL MG2 1 64 LYS H 5.500 . 5.500 3.736 3.524 3.929 . 0 0 "[ . 1 . 2]" 1
885 1 64 LYS HA 1 64 LYS QG 3.650 . 3.650 2.436 2.294 2.879 . 0 0 "[ . 1 . 2]" 1
886 1 64 LYS HA 1 64 LYS HG3 4.220 . 4.220 2.527 2.376 2.991 . 0 0 "[ . 1 . 2]" 1
887 1 64 LYS HA 1 64 LYS HG2 4.220 . 4.220 3.207 2.994 3.750 . 0 0 "[ . 1 . 2]" 1
888 1 64 LYS HA 1 67 MET H 4.500 . 4.500 3.407 3.341 3.547 . 0 0 "[ . 1 . 2]" 1
889 1 64 LYS HA 1 67 MET QB 2.600 . 2.600 2.617 2.427 2.814 0.214 20 0 "[ . 1 . 2]" 1
890 1 64 LYS HA 1 68 THR H 5.500 . 5.500 4.287 3.867 4.427 . 0 0 "[ . 1 . 2]" 1
891 1 64 LYS H 1 64 LYS HB3 3.320 . 3.320 2.543 2.487 2.589 . 0 0 "[ . 1 . 2]" 1
892 1 64 LYS H 1 64 LYS HB2 3.560 . 3.560 2.419 2.369 2.465 . 0 0 "[ . 1 . 2]" 1
893 1 64 LYS H 1 64 LYS QG 4.740 . 4.740 3.950 3.920 4.013 . 0 0 "[ . 1 . 2]" 1
894 1 64 LYS H 1 64 LYS HG3 5.500 . 5.500 4.388 4.342 4.418 . 0 0 "[ . 1 . 2]" 1
895 1 64 LYS H 1 64 LYS HG2 5.500 . 5.500 4.486 4.435 4.611 . 0 0 "[ . 1 . 2]" 1
896 1 64 LYS H 1 65 MET H 3.920 . 3.920 2.719 2.682 2.762 . 0 0 "[ . 1 . 2]" 1
897 1 64 LYS H 1 65 MET HB3 5.500 . 5.500 5.018 4.884 5.218 . 0 0 "[ . 1 . 2]" 1
898 1 64 LYS H 1 67 MET QB 5.340 . 5.340 4.856 4.506 5.072 . 0 0 "[ . 1 . 2]" 1
899 1 64 LYS HB2 1 65 MET H 3.490 . 3.490 3.683 3.657 3.712 0.222 15 0 "[ . 1 . 2]" 1
900 1 64 LYS HG3 1 65 MET H 5.500 . 5.500 4.392 3.562 4.666 . 0 0 "[ . 1 . 2]" 1
901 1 64 LYS HG2 1 65 MET H 5.500 . 5.500 3.812 3.536 4.426 . 0 0 "[ . 1 . 2]" 1
902 1 65 MET HA 1 65 MET HB2 2.860 . 2.860 2.542 2.482 2.642 . 0 0 "[ . 1 . 2]" 1
903 1 65 MET HA 1 65 MET ME 4.600 . 4.600 4.323 4.078 4.463 . 0 0 "[ . 1 . 2]" 1
904 1 65 MET HA 1 65 MET QG 3.330 . 3.330 2.321 2.239 2.435 . 0 0 "[ . 1 . 2]" 1
905 1 65 MET HA 1 65 MET HG3 4.070 . 4.070 2.907 2.408 3.574 . 0 0 "[ . 1 . 2]" 1
906 1 65 MET HA 1 65 MET HG2 4.070 . 4.070 2.705 2.264 3.050 . 0 0 "[ . 1 . 2]" 1
907 1 65 MET HA 1 68 THR HB 3.680 . 3.680 3.089 2.760 3.504 . 0 0 "[ . 1 . 2]" 1
908 1 65 MET HA 1 68 THR H 4.460 . 4.460 3.377 3.204 3.528 . 0 0 "[ . 1 . 2]" 1
909 1 65 MET HA 1 68 THR MG 4.480 . 4.480 4.101 3.874 4.257 . 0 0 "[ . 1 . 2]" 1
910 1 65 MET H 1 65 MET HB3 3.710 . 3.710 2.681 2.573 2.872 . 0 0 "[ . 1 . 2]" 1
911 1 65 MET H 1 65 MET HG3 5.500 . 5.500 4.485 4.360 4.608 . 0 0 "[ . 1 . 2]" 1
912 1 65 MET H 1 65 MET HG2 5.500 . 5.500 4.448 4.221 4.555 . 0 0 "[ . 1 . 2]" 1
913 1 65 MET H 1 66 MET HA 5.500 . 5.500 5.205 5.157 5.252 . 0 0 "[ . 1 . 2]" 1
914 1 65 MET H 1 66 MET H 3.510 . 3.510 2.568 2.510 2.598 . 0 0 "[ . 1 . 2]" 1
915 1 65 MET H 1 66 MET HB3 5.500 . 5.500 4.836 4.725 4.883 . 0 0 "[ . 1 . 2]" 1
916 1 65 MET H 1 66 MET HB2 5.500 . 5.500 4.982 4.882 5.094 . 0 0 "[ . 1 . 2]" 1
917 1 65 MET HB3 1 66 MET H 3.230 . 3.230 2.537 2.435 2.666 . 0 0 "[ . 1 . 2]" 1
918 1 65 MET ME 1 66 MET H 3.780 . 3.780 3.737 3.508 3.888 0.108 2 0 "[ . 1 . 2]" 1
919 1 65 MET QG 1 66 MET HA 5.340 . 5.340 4.216 3.603 5.123 . 0 0 "[ . 1 . 2]" 1
920 1 66 MET HA 1 66 MET ME 4.510 . 4.510 3.721 2.996 4.505 . 0 0 "[ . 1 . 2]" 1
921 1 66 MET H 1 66 MET QB 2.800 . 2.800 2.290 2.276 2.309 . 0 0 "[ . 1 . 2]" 1
922 1 66 MET H 1 66 MET HB3 3.240 . 3.240 2.567 2.490 2.605 . 0 0 "[ . 1 . 2]" 1
923 1 66 MET H 1 66 MET HB2 3.240 . 3.240 2.576 2.529 2.632 . 0 0 "[ . 1 . 2]" 1
924 1 66 MET H 1 67 MET H 3.620 . 3.620 2.619 2.562 2.663 . 0 0 "[ . 1 . 2]" 1
925 1 66 MET QB 1 67 MET H 4.180 . 4.180 2.642 2.584 2.722 . 0 0 "[ . 1 . 2]" 1
926 1 67 MET HA 1 67 MET ME 5.500 . 5.500 3.862 3.328 4.396 . 0 0 "[ . 1 . 2]" 1
927 1 67 MET H 1 67 MET QB 3.160 . 3.160 2.256 2.059 2.298 . 0 0 "[ . 1 . 2]" 1
928 1 67 MET H 1 67 MET QG 3.440 . 3.440 2.580 2.461 3.595 0.155 9 0 "[ . 1 . 2]" 1
929 1 67 MET H 1 67 MET HG3 4.010 . 4.010 3.210 2.502 3.828 . 0 0 "[ . 1 . 2]" 1
930 1 67 MET H 1 67 MET HG2 4.010 . 4.010 3.201 2.499 4.361 0.351 9 0 "[ . 1 . 2]" 1
931 1 67 MET H 1 68 THR H 2.550 . 2.550 2.609 2.534 2.645 0.095 3 0 "[ . 1 . 2]" 1
932 1 67 MET QB 1 68 THR H 4.090 . 4.090 2.665 2.565 2.815 . 0 0 "[ . 1 . 2]" 1
933 1 68 THR HB 1 69 VAL HB 5.500 . 5.500 5.037 4.066 5.938 0.438 20 0 "[ . 1 . 2]" 1
934 1 68 THR HB 1 69 VAL H 4.140 . 4.140 2.543 1.879 3.241 . 0 0 "[ . 1 . 2]" 1
935 1 68 THR HB 1 69 VAL QG 3.940 . 3.940 3.100 2.594 3.711 . 0 0 "[ . 1 . 2]" 1
936 1 68 THR H 1 68 THR HB 3.780 . 3.780 2.655 2.496 2.836 . 0 0 "[ . 1 . 2]" 1
937 1 68 THR H 1 68 THR MG 4.540 . 4.540 3.732 3.681 3.749 . 0 0 "[ . 1 . 2]" 1
938 1 68 THR H 1 69 VAL H 3.110 . 3.110 2.938 2.706 3.145 0.035 16 0 "[ . 1 . 2]" 1
939 1 68 THR H 1 69 VAL MG2 5.500 . 5.500 4.255 3.805 4.896 . 0 0 "[ . 1 . 2]" 1
940 1 68 THR MG 1 69 VAL H 5.500 . 5.500 3.429 2.646 4.074 . 0 0 "[ . 1 . 2]" 1
941 1 69 VAL HA 1 70 ARG H 3.360 . 3.360 3.457 3.160 3.570 0.210 16 0 "[ . 1 . 2]" 1
942 1 69 VAL HB 1 70 ARG H 4.990 . 4.990 3.209 2.109 4.454 . 0 0 "[ . 1 . 2]" 1
943 1 69 VAL H 1 69 VAL HB 3.970 . 3.970 2.805 2.392 3.607 . 0 0 "[ . 1 . 2]" 1
944 1 69 VAL H 1 69 VAL QG 3.370 . 3.370 2.006 1.724 2.256 . 0 0 "[ . 1 . 2]" 1
945 1 69 VAL H 1 69 VAL MG1 4.010 . 4.010 3.207 1.803 3.778 . 0 0 "[ . 1 . 2]" 1
946 1 69 VAL H 1 69 VAL MG2 4.010 . 4.010 2.109 1.870 2.275 . 0 0 "[ . 1 . 2]" 1
947 1 69 VAL QG 1 70 ARG HA 5.110 . 5.110 3.934 3.262 4.849 . 0 0 "[ . 1 . 2]" 1
948 1 69 VAL QG 1 70 ARG H 4.340 . 4.340 2.983 1.807 3.635 . 0 0 "[ . 1 . 2]" 1
949 1 69 VAL MG1 1 70 ARG H 4.990 . 4.990 3.635 2.611 4.142 . 0 0 "[ . 1 . 2]" 1
950 1 69 VAL MG2 1 70 ARG H 4.990 . 4.990 3.464 1.811 4.059 . 0 0 "[ . 1 . 2]" 1
951 1 70 ARG HA 1 70 ARG QD 4.800 . 4.800 3.733 2.214 4.422 . 0 0 "[ . 1 . 2]" 1
952 1 70 ARG HA 1 70 ARG HD3 5.500 . 5.500 4.312 3.679 5.481 . 0 0 "[ . 1 . 2]" 1
953 1 70 ARG HA 1 70 ARG HD2 5.500 . 5.500 4.263 2.229 4.797 . 0 0 "[ . 1 . 2]" 1
954 1 70 ARG HA 1 70 ARG HG3 4.080 . 4.080 2.907 2.383 3.786 . 0 0 "[ . 1 . 2]" 1
955 1 70 ARG HA 1 70 ARG HG2 4.080 . 4.080 2.796 2.342 3.614 . 0 0 "[ . 1 . 2]" 1
956 1 70 ARG H 1 70 ARG QG 4.640 . 4.640 3.308 2.011 4.178 . 0 0 "[ . 1 . 2]" 1
957 1 70 ARG H 1 70 ARG HG3 5.430 . 5.430 3.781 2.029 4.830 . 0 0 "[ . 1 . 2]" 1
958 1 70 ARG H 1 70 ARG HG2 5.430 . 5.430 3.888 2.412 4.856 . 0 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 12
_Distance_constraint_stats_list.Viol_count 172
_Distance_constraint_stats_list.Viol_total 2226.940
_Distance_constraint_stats_list.Viol_max 2.734
_Distance_constraint_stats_list.Viol_rms 0.6116
_Distance_constraint_stats_list.Viol_average_all_restraints 0.4639
_Distance_constraint_stats_list.Viol_average_violations_only 0.6474
_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 14 ASP 38.753 2.734 16 20 [***********-***+****]
1 16 ASP 6.477 1.380 11 6 "[ .- 1+* . * **]"
1 18 ASN 4.782 1.012 7 4 "[ - . + *1 * 2]"
1 20 TYR 5.593 1.071 7 5 "[ * . + *1 *- 2]"
1 25 GLU 14.457 1.722 11 7 "[ .* 1+* *. * -*]"
1 50 ASP 6.551 1.262 16 6 "[ . * -1 * *+ * 2]"
1 52 ASP 12.854 1.851 14 9 "[ * * ***1 *+-* 2]"
1 54 ASP 6.733 1.271 11 6 "[ .* 1+ **. -*]"
1 56 GLN 2.972 0.692 11 1 "[ . 1+ . 2]"
1 61 GLU 12.174 1.257 15 5 "[ * . * *1 + -2]"
2 1 CA 70.062 2.734 16 20 [***************+**-*]
3 1 CA 41.285 1.851 14 14 "[ * *****1* *+** *-*]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 14 ASP OD2 2 1 CA CA 2.500 . 2.500 4.438 3.569 5.234 2.734 16 20 [***********-***+****] 2
2 1 16 ASP OD2 2 1 CA CA 2.500 . 2.500 2.747 1.744 3.880 1.380 11 6 "[ .- 1+* . * **]" 2
3 1 18 ASN OD1 2 1 CA CA 2.500 . 2.500 2.527 1.073 3.512 1.012 7 4 "[ - . + *1 * 2]" 2
4 1 20 TYR O 2 1 CA CA 2.500 . 2.500 2.679 1.807 3.571 1.071 7 5 "[ * . + *1 *- 2]" 2
5 1 25 GLU OE1 2 1 CA CA 2.500 . 2.500 2.806 1.997 3.971 1.471 11 6 "[ .* 1+* -. * *]" 2
6 1 25 GLU OE2 2 1 CA CA 2.500 . 2.500 2.689 1.543 4.222 1.722 11 7 "[ .* 1+* *. * -*]" 2
7 1 50 ASP OD1 3 1 CA CA 2.500 . 2.500 2.727 1.916 3.762 1.262 16 6 "[ . * -1 * *+ * 2]" 2
8 1 52 ASP OD2 3 1 CA CA 2.500 . 2.500 3.112 2.122 4.351 1.851 14 9 "[ * * ***1 *+-* 2]" 2
9 1 54 ASP OD2 3 1 CA CA 2.500 . 2.500 2.708 1.589 3.771 1.271 11 6 "[ .* 1+ **. -*]" 2
10 1 56 GLN O 3 1 CA CA 2.500 . 2.500 2.518 1.773 3.192 0.692 11 1 "[ . 1+ . 2]" 2
11 1 61 GLU OE1 3 1 CA CA 2.500 . 2.500 2.716 2.156 3.460 0.960 15 4 "[ . * *1 + -2]" 2
12 1 61 GLU OE2 3 1 CA CA 2.500 . 2.500 2.696 1.363 3.757 1.257 15 5 "[ - . * *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 64
_Distance_constraint_stats_list.Viol_count 227
_Distance_constraint_stats_list.Viol_total 286.599
_Distance_constraint_stats_list.Viol_max 0.257
_Distance_constraint_stats_list.Viol_rms 0.0326
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0112
_Distance_constraint_stats_list.Viol_average_violations_only 0.0631
_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 1 ASP 0.026 0.026 20 0 "[ . 1 . 2]"
1 2 ALA 0.226 0.160 12 0 "[ . 1 . 2]"
1 3 GLU 0.564 0.104 17 0 "[ . 1 . 2]"
1 4 GLU 0.256 0.086 12 0 "[ . 1 . 2]"
1 5 GLU 0.026 0.026 20 0 "[ . 1 . 2]"
1 6 LEU 0.226 0.160 12 0 "[ . 1 . 2]"
1 7 LYS 1.790 0.118 11 0 "[ . 1 . 2]"
1 8 GLU 0.819 0.139 6 0 "[ . 1 . 2]"
1 9 ALA 0.266 0.069 6 0 "[ . 1 . 2]"
1 10 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 LYS 1.227 0.118 11 0 "[ . 1 . 2]"
1 12 VAL 0.562 0.139 6 0 "[ . 1 . 2]"
1 13 PHE 0.266 0.069 6 0 "[ . 1 . 2]"
1 21 ILE 5.671 0.257 19 0 "[ . 1 . 2]"
1 23 ALA 0.025 0.019 8 0 "[ . 1 . 2]"
1 24 SER 1.347 0.156 19 0 "[ . 1 . 2]"
1 25 GLU 1.705 0.228 16 0 "[ . 1 . 2]"
1 26 LEU 0.550 0.109 20 0 "[ . 1 . 2]"
1 27 ARG 0.037 0.019 8 0 "[ . 1 . 2]"
1 28 HIS 1.347 0.156 19 0 "[ . 1 . 2]"
1 29 VAL 1.880 0.228 16 0 "[ . 1 . 2]"
1 30 MET 0.550 0.109 20 0 "[ . 1 . 2]"
1 31 ILE 0.012 0.012 7 0 "[ . 1 . 2]"
1 32 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 33 LEU 0.175 0.102 3 0 "[ . 1 . 2]"
1 38 THR 0.167 0.037 7 0 "[ . 1 . 2]"
1 39 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 40 GLU 0.893 0.114 11 0 "[ . 1 . 2]"
1 41 GLU 0.105 0.053 4 0 "[ . 1 . 2]"
1 42 VAL 0.167 0.037 7 0 "[ . 1 . 2]"
1 43 GLU 0.156 0.051 14 0 "[ . 1 . 2]"
1 44 GLN 0.893 0.114 11 0 "[ . 1 . 2]"
1 45 MET 0.105 0.053 4 0 "[ . 1 . 2]"
1 46 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 47 LYS 0.156 0.051 14 0 "[ . 1 . 2]"
1 48 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 49 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 57 VAL 5.671 0.257 19 0 "[ . 1 . 2]"
1 59 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 60 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 61 GLU 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 0.396 0.084 17 0 "[ . 1 . 2]"
1 65 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 66 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 67 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 68 THR 0.396 0.084 17 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 21 ILE H 1 57 VAL O 2.100 . 2.100 2.164 1.915 2.243 0.143 8 0 "[ . 1 . 2]" 3
2 1 21 ILE N 1 57 VAL O 3.100 . 3.100 3.038 2.781 3.170 0.070 10 0 "[ . 1 . 2]" 3
3 1 21 ILE O 1 57 VAL H 2.100 . 2.100 2.259 2.159 2.357 0.257 19 0 "[ . 1 . 2]" 3
4 1 21 ILE O 1 57 VAL N 3.100 . 3.100 3.126 2.964 3.217 0.117 18 0 "[ . 1 . 2]" 3
5 1 1 ASP O 1 5 GLU H 2.100 . 2.100 1.909 1.719 2.126 0.026 20 0 "[ . 1 . 2]" 3
6 1 1 ASP O 1 5 GLU N 3.100 . 3.100 2.779 2.621 3.011 . 0 0 "[ . 1 . 2]" 3
7 1 2 ALA O 1 6 LEU H 2.100 . 2.100 1.951 1.728 2.260 0.160 12 0 "[ . 1 . 2]" 3
8 1 2 ALA O 1 6 LEU N 3.100 . 3.100 2.859 2.675 3.070 . 0 0 "[ . 1 . 2]" 3
9 1 3 GLU O 1 7 LYS H 2.100 . 2.100 2.038 1.636 2.204 0.104 17 0 "[ . 1 . 2]" 3
10 1 3 GLU O 1 7 LYS N 3.100 . 3.100 2.926 2.546 3.103 0.003 7 0 "[ . 1 . 2]" 3
11 1 4 GLU O 1 8 GLU H 2.100 . 2.100 1.905 1.574 2.186 0.086 12 0 "[ . 1 . 2]" 3
12 1 4 GLU O 1 8 GLU N 3.100 . 3.100 2.844 2.549 3.126 0.026 12 0 "[ . 1 . 2]" 3
13 1 5 GLU O 1 9 ALA H 2.100 . 2.100 1.765 1.577 2.013 . 0 0 "[ . 1 . 2]" 3
14 1 5 GLU O 1 9 ALA N 3.100 . 3.100 2.736 2.511 2.984 . 0 0 "[ . 1 . 2]" 3
15 1 6 LEU O 1 10 PHE H 2.100 . 2.100 1.925 1.817 2.028 . 0 0 "[ . 1 . 2]" 3
16 1 6 LEU O 1 10 PHE N 3.100 . 3.100 2.876 2.765 3.003 . 0 0 "[ . 1 . 2]" 3
17 1 7 LYS O 1 11 LYS H 2.100 . 2.100 2.138 1.925 2.218 0.118 11 0 "[ . 1 . 2]" 3
18 1 7 LYS O 1 11 LYS N 3.100 . 3.100 3.042 2.807 3.121 0.021 8 0 "[ . 1 . 2]" 3
19 1 8 GLU O 1 12 VAL H 2.100 . 2.100 2.101 1.864 2.239 0.139 6 0 "[ . 1 . 2]" 3
20 1 8 GLU O 1 12 VAL N 3.100 . 3.100 2.936 2.749 3.032 . 0 0 "[ . 1 . 2]" 3
21 1 9 ALA O 1 13 PHE H 2.100 . 2.100 2.017 1.603 2.169 0.069 6 0 "[ . 1 . 2]" 3
22 1 9 ALA O 1 13 PHE N 3.100 . 3.100 2.943 2.506 3.119 0.019 6 0 "[ . 1 . 2]" 3
23 1 23 ALA O 1 27 ARG H 2.100 . 2.100 1.941 1.678 2.119 0.019 8 0 "[ . 1 . 2]" 3
24 1 23 ALA O 1 27 ARG N 3.100 . 3.100 2.883 2.622 3.062 . 0 0 "[ . 1 . 2]" 3
25 1 24 SER O 1 28 HIS H 2.100 . 2.100 2.133 2.023 2.256 0.156 19 0 "[ . 1 . 2]" 3
26 1 24 SER O 1 28 HIS N 3.100 . 3.100 3.075 2.952 3.211 0.111 19 0 "[ . 1 . 2]" 3
27 1 25 GLU O 1 29 VAL H 2.100 . 2.100 2.131 1.876 2.328 0.228 16 0 "[ . 1 . 2]" 3
28 1 25 GLU O 1 29 VAL N 3.100 . 3.100 3.046 2.825 3.166 0.066 13 0 "[ . 1 . 2]" 3
29 1 26 LEU O 1 30 MET H 2.100 . 2.100 2.017 1.834 2.209 0.109 20 0 "[ . 1 . 2]" 3
30 1 26 LEU O 1 30 MET N 3.100 . 3.100 2.943 2.767 3.107 0.007 7 0 "[ . 1 . 2]" 3
31 1 27 ARG O 1 31 ILE H 2.100 . 2.100 1.918 1.743 2.112 0.012 7 0 "[ . 1 . 2]" 3
32 1 27 ARG O 1 31 ILE N 3.100 . 3.100 2.862 2.703 3.042 . 0 0 "[ . 1 . 2]" 3
33 1 28 HIS O 1 32 ASN H 2.100 . 2.100 1.982 1.884 2.064 . 0 0 "[ . 1 . 2]" 3
34 1 28 HIS O 1 32 ASN N 3.100 . 3.100 2.921 2.821 2.984 . 0 0 "[ . 1 . 2]" 3
35 1 29 VAL O 1 33 LEU H 2.100 . 2.100 1.989 1.857 2.202 0.102 3 0 "[ . 1 . 2]" 3
36 1 29 VAL O 1 33 LEU N 3.100 . 3.100 2.834 2.745 2.957 . 0 0 "[ . 1 . 2]" 3
37 1 38 THR O 1 42 VAL H 2.100 . 2.100 2.075 1.893 2.137 0.037 7 0 "[ . 1 . 2]" 3
38 1 38 THR O 1 42 VAL N 3.100 . 3.100 3.040 2.865 3.102 0.002 7 0 "[ . 1 . 2]" 3
39 1 39 ASP O 1 43 GLU H 2.100 . 2.100 1.725 1.499 1.981 . 0 0 "[ . 1 . 2]" 3
40 1 39 ASP O 1 43 GLU N 3.100 . 3.100 2.687 2.442 2.948 . 0 0 "[ . 1 . 2]" 3
41 1 40 GLU O 1 44 GLN H 2.100 . 2.100 2.120 1.981 2.214 0.114 11 0 "[ . 1 . 2]" 3
42 1 40 GLU O 1 44 GLN N 3.100 . 3.100 2.964 2.823 3.063 . 0 0 "[ . 1 . 2]" 3
43 1 41 GLU O 1 45 MET H 2.100 . 2.100 1.955 1.778 2.153 0.053 4 0 "[ . 1 . 2]" 3
44 1 41 GLU O 1 45 MET N 3.100 . 3.100 2.864 2.671 3.084 . 0 0 "[ . 1 . 2]" 3
45 1 42 VAL O 1 46 ILE H 2.100 . 2.100 1.919 1.787 2.047 . 0 0 "[ . 1 . 2]" 3
46 1 42 VAL O 1 46 ILE N 3.100 . 3.100 2.871 2.732 2.991 . 0 0 "[ . 1 . 2]" 3
47 1 43 GLU O 1 47 LYS H 2.100 . 2.100 2.005 1.773 2.151 0.051 14 0 "[ . 1 . 2]" 3
48 1 43 GLU O 1 47 LYS N 3.100 . 3.100 2.948 2.714 3.103 0.003 14 0 "[ . 1 . 2]" 3
49 1 44 GLN O 1 48 GLU H 2.100 . 2.100 1.727 1.615 2.017 . 0 0 "[ . 1 . 2]" 3
50 1 44 GLN O 1 48 GLU N 3.100 . 3.100 2.639 2.526 2.854 . 0 0 "[ . 1 . 2]" 3
51 1 45 MET O 1 49 ALA H 2.100 . 2.100 1.711 1.591 1.832 . 0 0 "[ . 1 . 2]" 3
52 1 45 MET O 1 49 ALA N 3.100 . 3.100 2.575 2.461 2.709 . 0 0 "[ . 1 . 2]" 3
53 1 59 TYR O 1 63 VAL H 2.100 . 2.100 1.738 1.688 1.812 . 0 0 "[ . 1 . 2]" 3
54 1 59 TYR O 1 63 VAL N 3.100 . 3.100 2.712 2.649 2.787 . 0 0 "[ . 1 . 2]" 3
55 1 60 GLU O 1 64 LYS H 2.100 . 2.100 1.903 1.726 2.065 . 0 0 "[ . 1 . 2]" 3
56 1 60 GLU O 1 64 LYS N 3.100 . 3.100 2.816 2.676 2.957 . 0 0 "[ . 1 . 2]" 3
57 1 61 GLU O 1 65 MET H 2.100 . 2.100 1.618 1.512 1.714 . 0 0 "[ . 1 . 2]" 3
58 1 61 GLU O 1 65 MET N 3.100 . 3.100 2.561 2.450 2.652 . 0 0 "[ . 1 . 2]" 3
59 1 62 PHE O 1 66 MET H 2.100 . 2.100 1.606 1.485 1.717 . 0 0 "[ . 1 . 2]" 3
60 1 62 PHE O 1 66 MET N 3.100 . 3.100 2.499 2.388 2.605 . 0 0 "[ . 1 . 2]" 3
61 1 63 VAL O 1 67 MET H 2.100 . 2.100 1.807 1.523 2.058 . 0 0 "[ . 1 . 2]" 3
62 1 63 VAL O 1 67 MET N 3.100 . 3.100 2.676 2.425 2.860 . 0 0 "[ . 1 . 2]" 3
63 1 64 LYS O 1 68 THR H 2.100 . 2.100 2.073 1.823 2.184 0.084 17 0 "[ . 1 . 2]" 3
64 1 64 LYS O 1 68 THR N 3.100 . 3.100 2.976 2.736 3.049 . 0 0 "[ . 1 . 2]" 3
stop_
save_
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