NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
508169 |
2eok   |
10219 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2eok
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 12
_Distance_constraint_stats_list.Viol_count 19
_Distance_constraint_stats_list.Viol_total 0.200
_Distance_constraint_stats_list.Viol_max 0.001
_Distance_constraint_stats_list.Viol_rms 0.0002
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0000
_Distance_constraint_stats_list.Viol_average_violations_only 0.0005
_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 13 CYS 0.001 0.000 13 0 "[ . 1 . 2]"
1 16 CYS 0.006 0.001 15 0 "[ . 1 . 2]"
1 29 HIS 0.005 0.001 12 0 "[ . 1 . 2]"
1 33 HIS 0.004 0.001 15 0 "[ . 1 . 2]"
2 1 ZN 0.004 0.001 13 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 13 CYS SG 2 1 ZN ZN . 2.190 2.390 2.358 2.301 2.390 0.000 13 0 "[ . 1 . 2]" 1
2 1 13 CYS CB 2 1 ZN ZN . 3.250 3.510 3.348 3.284 3.458 . 0 0 "[ . 1 . 2]" 1
3 1 16 CYS SG 2 1 ZN ZN . 2.190 2.390 2.287 2.189 2.371 0.001 13 0 "[ . 1 . 2]" 1
4 1 16 CYS CB 2 1 ZN ZN . 3.250 3.510 3.452 3.330 3.511 0.001 13 0 "[ . 1 . 2]" 1
5 1 29 HIS NE2 2 1 ZN ZN . . 2.100 2.052 1.904 2.101 0.001 13 0 "[ . 1 . 2]" 1
6 1 33 HIS NE2 2 1 ZN ZN . . 2.100 2.029 1.903 2.099 . 0 0 "[ . 1 . 2]" 1
7 1 13 CYS SG 1 16 CYS SG . 3.560 3.960 3.802 3.567 3.960 . 0 0 "[ . 1 . 2]" 1
8 1 13 CYS SG 1 29 HIS NE2 . 3.320 3.720 3.470 3.320 3.716 . 3 0 "[ . 1 . 2]" 1
9 1 13 CYS SG 1 33 HIS NE2 . 3.320 3.720 3.644 3.320 3.720 0.000 19 0 "[ . 1 . 2]" 1
10 1 16 CYS SG 1 29 HIS NE2 . 3.320 3.720 3.361 3.319 3.518 0.001 12 0 "[ . 1 . 2]" 1
11 1 16 CYS SG 1 33 HIS NE2 . 3.320 3.720 3.599 3.322 3.721 0.001 15 0 "[ . 1 . 2]" 1
12 1 29 HIS NE2 1 33 HIS NE2 . 3.000 3.600 3.419 2.999 3.601 0.001 17 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 616
_Distance_constraint_stats_list.Viol_count 82
_Distance_constraint_stats_list.Viol_total 7.485
_Distance_constraint_stats_list.Viol_max 0.024
_Distance_constraint_stats_list.Viol_rms 0.0006
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0000
_Distance_constraint_stats_list.Viol_average_violations_only 0.0046
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 8 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 LYS 0.019 0.008 10 0 "[ . 1 . 2]"
1 10 PRO 0.034 0.016 10 0 "[ . 1 . 2]"
1 11 TYR 0.067 0.019 10 0 "[ . 1 . 2]"
1 12 VAL 0.060 0.013 9 0 "[ . 1 . 2]"
1 13 CYS 0.034 0.013 20 0 "[ . 1 . 2]"
1 14 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 ASP 0.014 0.007 13 0 "[ . 1 . 2]"
1 16 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 GLY 0.013 0.007 13 0 "[ . 1 . 2]"
1 18 LYS 0.042 0.013 19 0 "[ . 1 . 2]"
1 19 ALA 0.028 0.008 10 0 "[ . 1 . 2]"
1 20 PHE 0.010 0.006 20 0 "[ . 1 . 2]"
1 21 THR 0.017 0.004 20 0 "[ . 1 . 2]"
1 22 PHE 0.010 0.010 13 0 "[ . 1 . 2]"
1 23 LYS 0.039 0.016 9 0 "[ . 1 . 2]"
1 24 SER 0.001 0.001 19 0 "[ . 1 . 2]"
1 25 GLN 0.009 0.006 20 0 "[ . 1 . 2]"
1 26 LEU 0.000 0.000 13 0 "[ . 1 . 2]"
1 27 ILE 0.023 0.016 9 0 "[ . 1 . 2]"
1 28 VAL 0.001 0.001 13 0 "[ . 1 . 2]"
1 29 HIS 0.132 0.024 18 0 "[ . 1 . 2]"
1 30 GLN 0.002 0.001 17 0 "[ . 1 . 2]"
1 31 GLY 0.001 0.000 15 0 "[ . 1 . 2]"
1 32 ILE 0.131 0.024 18 0 "[ . 1 . 2]"
1 33 HIS 0.003 0.003 20 0 "[ . 1 . 2]"
1 34 THR 0.000 0.000 15 0 "[ . 1 . 2]"
1 35 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 39 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 12 VAL HA 1 18 LYS H . . 5.380 5.120 4.761 5.393 0.013 9 0 "[ . 1 . 2]" 2
2 1 13 CYS HA 1 18 LYS H . . 5.500 4.890 4.652 5.156 . 0 0 "[ . 1 . 2]" 2
3 1 13 CYS HB3 1 18 LYS H . . 3.310 1.977 1.898 2.256 . 0 0 "[ . 1 . 2]" 2
4 1 13 CYS HB2 1 18 LYS H . . 3.820 3.434 2.913 3.661 . 0 0 "[ . 1 . 2]" 2
5 1 18 LYS H 1 18 LYS HG2 . . 4.880 4.559 4.190 4.649 . 0 0 "[ . 1 . 2]" 2
6 1 18 LYS H 1 18 LYS HB2 . . 3.510 2.383 2.175 2.716 . 0 0 "[ . 1 . 2]" 2
7 1 18 LYS H 1 18 LYS HG3 . . 4.880 4.220 2.987 4.497 . 0 0 "[ . 1 . 2]" 2
8 1 13 CYS H 1 17 GLY H . . 4.710 4.529 4.330 4.688 . 0 0 "[ . 1 . 2]" 2
9 1 15 ASP H 1 17 GLY H . . 4.080 3.749 3.171 4.087 0.007 13 0 "[ . 1 . 2]" 2
10 1 13 CYS HA 1 17 GLY H . . 5.340 4.845 4.739 5.072 . 0 0 "[ . 1 . 2]" 2
11 1 15 ASP HA 1 17 GLY H . . 5.500 5.275 5.136 5.418 . 0 0 "[ . 1 . 2]" 2
12 1 13 CYS HB3 1 17 GLY H . . 3.610 2.416 2.074 2.660 . 0 0 "[ . 1 . 2]" 2
13 1 13 CYS HB2 1 17 GLY H . . 4.410 4.031 3.799 4.338 . 0 0 "[ . 1 . 2]" 2
14 1 14 SER H 1 15 ASP H . . 4.470 2.350 1.967 3.000 . 0 0 "[ . 1 . 2]" 2
15 1 14 SER HB2 1 15 ASP H . . 4.880 3.867 2.725 4.588 . 0 0 "[ . 1 . 2]" 2
16 1 13 CYS HB3 1 15 ASP H . . 4.600 3.990 3.122 4.586 . 0 0 "[ . 1 . 2]" 2
17 1 15 ASP H 1 15 ASP HB2 . . 3.630 2.464 2.205 2.805 . 0 0 "[ . 1 . 2]" 2
18 1 20 PHE HB3 1 26 LEU H . . 4.340 3.479 3.211 3.696 . 0 0 "[ . 1 . 2]" 2
19 1 25 GLN HB2 1 26 LEU H . . 3.510 2.657 2.564 2.808 . 0 0 "[ . 1 . 2]" 2
20 1 26 LEU H 1 26 LEU HB3 . . 3.100 2.368 2.287 2.425 . 0 0 "[ . 1 . 2]" 2
21 1 26 LEU H 1 26 LEU HG . . 4.850 4.386 4.295 4.431 . 0 0 "[ . 1 . 2]" 2
22 1 26 LEU H 1 27 ILE HG13 . . 5.210 4.322 4.186 4.512 . 0 0 "[ . 1 . 2]" 2
23 1 26 LEU H 1 26 LEU HB2 . . 3.310 2.661 2.593 2.802 . 0 0 "[ . 1 . 2]" 2
24 1 26 LEU H 1 26 LEU MD2 . . 4.370 4.171 4.131 4.216 . 0 0 "[ . 1 . 2]" 2
25 1 26 LEU H 1 27 ILE H . . 3.230 2.759 2.637 2.852 . 0 0 "[ . 1 . 2]" 2
26 1 23 LYS HA 1 26 LEU H . . 3.690 3.457 3.309 3.644 . 0 0 "[ . 1 . 2]" 2
27 1 22 PHE HB2 1 26 LEU H . . 5.460 4.808 4.596 5.150 . 0 0 "[ . 1 . 2]" 2
28 1 8 GLU HA 1 9 LYS H . . 3.280 2.359 2.139 2.776 . 0 0 "[ . 1 . 2]" 2
29 1 9 LYS H 1 9 LYS HB2 . . 3.910 2.450 2.217 2.891 . 0 0 "[ . 1 . 2]" 2
30 1 9 LYS H 1 19 ALA MB . . 4.920 3.342 3.004 3.911 . 0 0 "[ . 1 . 2]" 2
31 1 22 PHE HB3 1 24 SER H . . 4.050 3.260 2.891 3.626 . 0 0 "[ . 1 . 2]" 2
32 1 22 PHE HB2 1 24 SER H . . 4.400 4.081 3.648 4.360 . 0 0 "[ . 1 . 2]" 2
33 1 23 LYS HB3 1 24 SER H . . 4.010 2.363 2.200 2.602 . 0 0 "[ . 1 . 2]" 2
34 1 23 LYS HB2 1 24 SER H . . 4.570 3.735 3.614 3.911 . 0 0 "[ . 1 . 2]" 2
35 1 34 THR H 1 35 GLY H . . 4.550 3.547 2.019 4.543 . 0 0 "[ . 1 . 2]" 2
36 1 33 HIS H 1 34 THR H . . 3.720 2.768 2.306 3.310 . 0 0 "[ . 1 . 2]" 2
37 1 33 HIS QB 1 34 THR H . . 4.030 2.827 1.936 3.902 . 0 0 "[ . 1 . 2]" 2
38 1 34 THR H 1 34 THR MG . . 4.050 2.532 1.826 3.522 . 0 0 "[ . 1 . 2]" 2
39 1 29 HIS H 1 30 GLN H . . 3.400 2.855 2.662 3.026 . 0 0 "[ . 1 . 2]" 2
40 1 27 ILE H 1 29 HIS H . . 4.630 4.279 4.063 4.458 . 0 0 "[ . 1 . 2]" 2
41 1 25 GLN HA 1 29 HIS H . . 4.450 4.340 4.215 4.434 . 0 0 "[ . 1 . 2]" 2
42 1 27 ILE HA 1 29 HIS H . . 4.880 4.577 4.360 4.811 . 0 0 "[ . 1 . 2]" 2
43 1 26 LEU HA 1 29 HIS H . . 3.730 3.276 3.113 3.416 . 0 0 "[ . 1 . 2]" 2
44 1 29 HIS H 1 29 HIS HB2 . . 3.110 2.822 2.728 2.886 . 0 0 "[ . 1 . 2]" 2
45 1 28 VAL HB 1 29 HIS H . . 3.320 2.606 2.419 2.780 . 0 0 "[ . 1 . 2]" 2
46 1 28 VAL MG2 1 29 HIS H . . 3.880 3.830 3.759 3.881 0.001 13 0 "[ . 1 . 2]" 2
47 1 28 VAL MG1 1 29 HIS H . . 3.860 3.453 3.297 3.585 . 0 0 "[ . 1 . 2]" 2
48 1 13 CYS H 1 18 LYS H . . 4.400 3.608 3.198 3.926 . 0 0 "[ . 1 . 2]" 2
49 1 13 CYS H 1 20 PHE QE . . 4.630 3.239 2.570 4.133 . 0 0 "[ . 1 . 2]" 2
50 1 13 CYS H 1 19 ALA HA . . 3.770 3.313 3.038 3.540 . 0 0 "[ . 1 . 2]" 2
51 1 12 VAL HA 1 13 CYS H . . 2.860 2.145 2.140 2.164 . 0 0 "[ . 1 . 2]" 2
52 1 13 CYS H 1 13 CYS HB3 . . 3.210 2.538 2.305 2.850 . 0 0 "[ . 1 . 2]" 2
53 1 13 CYS H 1 13 CYS HB2 . . 3.290 2.543 2.271 2.786 . 0 0 "[ . 1 . 2]" 2
54 1 12 VAL HB 1 13 CYS H . . 4.610 4.327 4.185 4.441 . 0 0 "[ . 1 . 2]" 2
55 1 13 CYS H 1 26 LEU MD1 . . 3.950 2.720 2.391 2.946 . 0 0 "[ . 1 . 2]" 2
56 1 12 VAL MG1 1 13 CYS H . . 3.570 2.767 2.541 2.931 . 0 0 "[ . 1 . 2]" 2
57 1 24 SER H 1 25 GLN H . . 3.810 2.918 2.692 3.053 . 0 0 "[ . 1 . 2]" 2
58 1 25 GLN H 1 27 ILE H . . 4.580 4.515 4.268 4.581 0.001 19 0 "[ . 1 . 2]" 2
59 1 22 PHE H 1 25 GLN H . . 4.650 4.438 4.235 4.614 . 0 0 "[ . 1 . 2]" 2
60 1 24 SER QB 1 25 GLN H . . 4.070 2.700 2.371 3.592 . 0 0 "[ . 1 . 2]" 2
61 1 22 PHE HB3 1 25 GLN H . . 3.790 3.426 3.112 3.768 . 0 0 "[ . 1 . 2]" 2
62 1 25 GLN H 1 25 GLN HB2 . . 3.280 2.349 2.227 2.464 . 0 0 "[ . 1 . 2]" 2
63 1 22 PHE HB2 1 25 GLN H . . 3.350 2.808 2.588 3.013 . 0 0 "[ . 1 . 2]" 2
64 1 25 GLN H 1 25 GLN HB3 . . 3.680 3.564 3.520 3.588 . 0 0 "[ . 1 . 2]" 2
65 1 35 GLY H 1 36 VAL H . . 4.530 3.678 2.438 4.512 . 0 0 "[ . 1 . 2]" 2
66 1 35 GLY QA 1 36 VAL H . . 3.490 2.293 2.110 2.708 . 0 0 "[ . 1 . 2]" 2
67 1 36 VAL H 1 36 VAL HB . . 3.870 2.922 2.529 3.775 . 0 0 "[ . 1 . 2]" 2
68 1 36 VAL H 1 36 VAL MG1 . . 4.110 3.415 1.948 3.975 . 0 0 "[ . 1 . 2]" 2
69 1 36 VAL H 1 36 VAL MG2 . . 4.330 2.521 1.977 4.024 . 0 0 "[ . 1 . 2]" 2
70 1 11 TYR H 1 20 PHE H . . 4.080 3.908 3.645 4.083 0.003 13 0 "[ . 1 . 2]" 2
71 1 11 TYR H 1 11 TYR QD . . 3.400 2.115 2.044 2.170 . 0 0 "[ . 1 . 2]" 2
72 1 10 PRO HD2 1 11 TYR H . . 3.730 2.753 2.710 2.774 . 0 0 "[ . 1 . 2]" 2
73 1 10 PRO HD3 1 11 TYR H . . 4.070 3.873 3.856 3.882 . 0 0 "[ . 1 . 2]" 2
74 1 11 TYR H 1 11 TYR HB3 . . 3.610 3.607 3.599 3.629 0.019 10 0 "[ . 1 . 2]" 2
75 1 11 TYR H 1 11 TYR HB2 . . 3.250 2.603 2.572 2.635 . 0 0 "[ . 1 . 2]" 2
76 1 11 TYR H 1 20 PHE HB2 . . 4.920 4.774 4.574 4.920 . 12 0 "[ . 1 . 2]" 2
77 1 10 PRO HB3 1 11 TYR H . . 4.420 3.893 3.868 3.950 . 0 0 "[ . 1 . 2]" 2
78 1 10 PRO HG2 1 11 TYR H . . 4.120 1.926 1.889 2.011 . 0 0 "[ . 1 . 2]" 2
79 1 10 PRO HB2 1 11 TYR H . . 3.890 2.905 2.861 3.005 . 0 0 "[ . 1 . 2]" 2
80 1 11 TYR H 1 12 VAL MG2 . . 4.660 4.116 4.019 4.220 . 0 0 "[ . 1 . 2]" 2
81 1 9 LYS HA 1 11 TYR H . . 4.460 4.401 4.330 4.436 . 0 0 "[ . 1 . 2]" 2
82 1 28 VAL H 1 28 VAL MG1 . . 3.800 3.764 3.758 3.769 . 0 0 "[ . 1 . 2]" 2
83 1 27 ILE H 1 28 VAL H . . 3.470 2.958 2.868 3.044 . 0 0 "[ . 1 . 2]" 2
84 1 25 GLN HA 1 28 VAL H . . 4.110 3.920 3.827 4.025 . 0 0 "[ . 1 . 2]" 2
85 1 28 VAL H 1 28 VAL HB . . 3.060 2.516 2.478 2.543 . 0 0 "[ . 1 . 2]" 2
86 1 27 ILE HB 1 28 VAL H . . 3.400 2.508 2.352 2.676 . 0 0 "[ . 1 . 2]" 2
87 1 28 VAL H 1 28 VAL MG2 . . 3.030 2.202 2.052 2.358 . 0 0 "[ . 1 . 2]" 2
88 1 27 ILE MG 1 28 VAL H . . 3.820 3.361 3.196 3.550 . 0 0 "[ . 1 . 2]" 2
89 1 20 PHE QD 1 21 THR H . . 4.270 4.044 3.766 4.266 . 0 0 "[ . 1 . 2]" 2
90 1 20 PHE HB2 1 21 THR H . . 4.380 4.041 3.787 4.216 . 0 0 "[ . 1 . 2]" 2
91 1 21 THR H 1 25 GLN HB2 . . 4.840 4.426 4.168 4.625 . 0 0 "[ . 1 . 2]" 2
92 1 21 THR H 1 21 THR MG . . 4.170 3.772 3.759 3.784 . 0 0 "[ . 1 . 2]" 2
93 1 24 SER HA 1 27 ILE H . . 3.930 3.559 3.387 3.721 . 0 0 "[ . 1 . 2]" 2
94 1 23 LYS HA 1 27 ILE H . . 4.580 4.254 4.002 4.523 . 0 0 "[ . 1 . 2]" 2
95 1 26 LEU HB3 1 27 ILE H . . 3.450 2.338 2.278 2.420 . 0 0 "[ . 1 . 2]" 2
96 1 27 ILE H 1 27 ILE HB . . 3.020 2.634 2.562 2.675 . 0 0 "[ . 1 . 2]" 2
97 1 27 ILE H 1 27 ILE HG13 . . 3.170 1.948 1.899 2.080 . 0 0 "[ . 1 . 2]" 2
98 1 26 LEU HB2 1 27 ILE H . . 3.840 3.782 3.735 3.838 . 0 0 "[ . 1 . 2]" 2
99 1 27 ILE H 1 27 ILE MD . . 3.960 3.333 3.162 3.559 . 0 0 "[ . 1 . 2]" 2
100 1 20 PHE HA 1 21 THR H . . 3.180 2.201 2.146 2.287 . 0 0 "[ . 1 . 2]" 2
101 1 21 THR H 1 21 THR HB . . 3.270 2.564 2.457 2.661 . 0 0 "[ . 1 . 2]" 2
102 1 20 PHE HB3 1 21 THR H . . 3.660 3.037 2.740 3.343 . 0 0 "[ . 1 . 2]" 2
103 1 33 HIS H 1 33 HIS HD2 . . 4.310 3.453 2.738 3.906 . 0 0 "[ . 1 . 2]" 2
104 1 30 GLN HA 1 33 HIS H . . 4.250 3.781 3.506 4.074 . 0 0 "[ . 1 . 2]" 2
105 1 33 HIS H 1 33 HIS QB . . 3.260 2.416 2.307 2.541 . 0 0 "[ . 1 . 2]" 2
106 1 32 ILE HB 1 33 HIS H . . 4.340 4.065 3.923 4.305 . 0 0 "[ . 1 . 2]" 2
107 1 32 ILE HG12 1 33 HIS H . . 4.670 3.508 2.558 4.473 . 0 0 "[ . 1 . 2]" 2
108 1 32 ILE HG13 1 33 HIS H . . 4.670 2.260 1.996 2.785 . 0 0 "[ . 1 . 2]" 2
109 1 32 ILE MD 1 33 HIS H . . 4.880 3.342 2.548 4.053 . 0 0 "[ . 1 . 2]" 2
110 1 32 ILE MG 1 33 HIS H . . 4.290 3.856 3.739 4.045 . 0 0 "[ . 1 . 2]" 2
111 1 32 ILE H 1 33 HIS H . . 3.300 2.806 2.064 2.904 . 0 0 "[ . 1 . 2]" 2
112 1 29 HIS HA 1 32 ILE H . . 4.460 3.513 3.215 4.219 . 0 0 "[ . 1 . 2]" 2
113 1 30 GLN HA 1 32 ILE H . . 4.580 4.300 3.352 4.504 . 0 0 "[ . 1 . 2]" 2
114 1 32 ILE H 1 32 ILE HB . . 3.770 3.608 3.577 3.760 . 0 0 "[ . 1 . 2]" 2
115 1 32 ILE H 1 32 ILE HG12 . . 4.080 3.123 2.624 3.562 . 0 0 "[ . 1 . 2]" 2
116 1 32 ILE H 1 32 ILE HG13 . . 4.080 2.926 2.078 3.728 . 0 0 "[ . 1 . 2]" 2
117 1 32 ILE H 1 32 ILE MG . . 3.330 1.941 1.850 2.613 . 0 0 "[ . 1 . 2]" 2
118 1 22 PHE QD 1 23 LYS H . . 4.430 3.931 3.435 4.238 . 0 0 "[ . 1 . 2]" 2
119 1 11 TYR QE 1 23 LYS H . . 3.780 3.311 3.064 3.597 . 0 0 "[ . 1 . 2]" 2
120 1 22 PHE HA 1 23 LYS H . . 2.910 2.267 2.163 2.353 . 0 0 "[ . 1 . 2]" 2
121 1 23 LYS H 1 23 LYS HB3 . . 3.290 2.545 2.379 2.745 . 0 0 "[ . 1 . 2]" 2
122 1 23 LYS H 1 23 LYS HG2 . . 4.810 4.511 4.347 4.597 . 0 0 "[ . 1 . 2]" 2
123 1 11 TYR QD 1 23 LYS H . . 4.590 4.276 4.005 4.594 0.004 12 0 "[ . 1 . 2]" 2
124 1 22 PHE HB3 1 23 LYS H . . 3.750 2.823 2.582 3.201 . 0 0 "[ . 1 . 2]" 2
125 1 22 PHE HB2 1 23 LYS H . . 4.200 3.845 3.547 4.191 . 0 0 "[ . 1 . 2]" 2
126 1 23 LYS H 1 23 LYS HG3 . . 4.810 4.419 4.292 4.546 . 0 0 "[ . 1 . 2]" 2
127 1 23 LYS H 1 23 LYS HB2 . . 3.230 2.514 2.321 2.673 . 0 0 "[ . 1 . 2]" 2
128 1 20 PHE H 1 20 PHE QD . . 3.300 3.058 2.624 3.298 . 0 0 "[ . 1 . 2]" 2
129 1 19 ALA HA 1 20 PHE H . . 2.910 2.264 2.191 2.349 . 0 0 "[ . 1 . 2]" 2
130 1 12 VAL HA 1 20 PHE H . . 3.810 3.406 2.969 3.712 . 0 0 "[ . 1 . 2]" 2
131 1 20 PHE H 1 20 PHE HB3 . . 3.950 3.877 3.754 3.948 . 0 0 "[ . 1 . 2]" 2
132 1 11 TYR HB3 1 20 PHE H . . 4.500 4.187 3.903 4.398 . 0 0 "[ . 1 . 2]" 2
133 1 11 TYR HB2 1 20 PHE H . . 4.130 2.925 2.679 3.155 . 0 0 "[ . 1 . 2]" 2
134 1 20 PHE H 1 20 PHE HB2 . . 3.460 2.815 2.595 2.944 . 0 0 "[ . 1 . 2]" 2
135 1 9 LYS HB3 1 20 PHE H . . 4.130 2.855 2.469 3.225 . 0 0 "[ . 1 . 2]" 2
136 1 19 ALA MB 1 20 PHE H . . 3.360 2.768 2.540 2.943 . 0 0 "[ . 1 . 2]" 2
137 1 12 VAL MG2 1 20 PHE H . . 4.530 3.608 3.310 3.854 . 0 0 "[ . 1 . 2]" 2
138 1 30 GLN H 1 31 GLY H . . 3.490 2.922 2.792 3.021 . 0 0 "[ . 1 . 2]" 2
139 1 29 HIS HA 1 31 GLY H . . 4.520 3.798 3.546 4.093 . 0 0 "[ . 1 . 2]" 2
140 1 28 VAL HA 1 31 GLY H . . 4.600 3.823 3.608 3.910 . 0 0 "[ . 1 . 2]" 2
141 1 30 GLN HB2 1 31 GLY H . . 4.150 2.877 2.658 3.121 . 0 0 "[ . 1 . 2]" 2
142 1 30 GLN HB3 1 31 GLY H . . 4.490 3.806 3.546 4.081 . 0 0 "[ . 1 . 2]" 2
143 1 29 HIS HD2 1 30 GLN H . . 4.350 2.916 2.506 3.421 . 0 0 "[ . 1 . 2]" 2
144 1 26 LEU MD1 1 30 GLN H . . 4.500 3.216 2.852 3.579 . 0 0 "[ . 1 . 2]" 2
145 1 29 HIS HB3 1 30 GLN H . . 3.490 2.471 2.276 2.636 . 0 0 "[ . 1 . 2]" 2
146 1 30 GLN H 1 30 GLN HG3 . . 3.210 2.198 1.900 2.396 . 0 0 "[ . 1 . 2]" 2
147 1 30 GLN H 1 30 GLN HB2 . . 3.260 2.602 2.513 2.729 . 0 0 "[ . 1 . 2]" 2
148 1 30 GLN H 1 30 GLN HB3 . . 3.650 3.613 3.591 3.625 . 0 0 "[ . 1 . 2]" 2
149 1 11 TYR HA 1 12 VAL H . . 2.720 2.173 2.141 2.270 . 0 0 "[ . 1 . 2]" 2
150 1 12 VAL H 1 12 VAL HB . . 3.150 2.828 2.705 3.008 . 0 0 "[ . 1 . 2]" 2
151 1 12 VAL H 1 26 LEU MD2 . . 4.120 3.154 2.681 3.608 . 0 0 "[ . 1 . 2]" 2
152 1 12 VAL H 1 12 VAL MG2 . . 3.330 3.009 2.862 3.105 . 0 0 "[ . 1 . 2]" 2
153 1 16 CYS H 1 17 GLY HA3 . . 5.050 4.772 4.560 4.884 . 0 0 "[ . 1 . 2]" 2
154 1 16 CYS H 1 17 GLY HA2 . . 4.460 4.319 4.052 4.459 . 0 0 "[ . 1 . 2]" 2
155 1 21 THR H 1 22 PHE H . . 3.430 2.591 2.438 2.725 . 0 0 "[ . 1 . 2]" 2
156 1 22 PHE H 1 23 LYS H . . 4.580 4.529 4.434 4.566 . 0 0 "[ . 1 . 2]" 2
157 1 22 PHE H 1 22 PHE QD . . 3.940 2.813 2.052 3.371 . 0 0 "[ . 1 . 2]" 2
158 1 20 PHE HA 1 22 PHE H . . 4.500 4.182 4.013 4.284 . 0 0 "[ . 1 . 2]" 2
159 1 21 THR HB 1 22 PHE H . . 3.260 2.545 2.422 2.646 . 0 0 "[ . 1 . 2]" 2
160 1 20 PHE HB3 1 22 PHE H . . 3.510 3.183 3.010 3.312 . 0 0 "[ . 1 . 2]" 2
161 1 22 PHE H 1 22 PHE HB3 . . 3.810 3.691 3.623 3.734 . 0 0 "[ . 1 . 2]" 2
162 1 22 PHE H 1 25 GLN HB2 . . 3.460 3.104 2.913 3.242 . 0 0 "[ . 1 . 2]" 2
163 1 22 PHE H 1 22 PHE HB2 . . 3.280 2.565 2.386 2.732 . 0 0 "[ . 1 . 2]" 2
164 1 22 PHE H 1 25 GLN HB3 . . 4.610 4.354 4.078 4.558 . 0 0 "[ . 1 . 2]" 2
165 1 21 THR MG 1 22 PHE H . . 3.970 3.512 3.395 3.630 . 0 0 "[ . 1 . 2]" 2
166 1 18 LYS H 1 19 ALA H . . 4.650 4.537 4.461 4.607 . 0 0 "[ . 1 . 2]" 2
167 1 18 LYS HA 1 19 ALA H . . 2.680 2.255 2.143 2.611 . 0 0 "[ . 1 . 2]" 2
168 1 18 LYS HB3 1 19 ALA H . . 4.410 3.661 2.041 4.136 . 0 0 "[ . 1 . 2]" 2
169 1 18 LYS HG2 1 19 ALA H . . 4.130 3.111 2.011 4.079 . 0 0 "[ . 1 . 2]" 2
170 1 19 ALA H 1 19 ALA MB . . 2.970 2.307 2.102 2.642 . 0 0 "[ . 1 . 2]" 2
171 1 18 LYS HG3 1 19 ALA H . . 4.130 3.094 2.280 4.137 0.007 17 0 "[ . 1 . 2]" 2
172 1 15 ASP H 1 16 CYS H . . 3.170 2.598 1.826 3.079 . 0 0 "[ . 1 . 2]" 2
173 1 13 CYS HB3 1 16 CYS H . . 4.060 3.460 2.811 3.932 . 0 0 "[ . 1 . 2]" 2
174 1 15 ASP HB2 1 16 CYS H . . 3.710 2.765 1.994 3.633 . 0 0 "[ . 1 . 2]" 2
175 1 15 ASP HB3 1 16 CYS H . . 3.710 2.879 2.105 3.461 . 0 0 "[ . 1 . 2]" 2
176 1 10 PRO HG3 1 11 TYR H . . 4.800 3.549 3.520 3.615 . 0 0 "[ . 1 . 2]" 2
177 1 11 TYR H 1 21 THR HA . . 4.800 4.187 3.983 4.364 . 0 0 "[ . 1 . 2]" 2
178 1 12 VAL H 1 13 CYS H . . 4.690 4.056 3.901 4.173 . 0 0 "[ . 1 . 2]" 2
179 1 11 TYR H 1 12 VAL H . . 4.790 4.559 4.494 4.617 . 0 0 "[ . 1 . 2]" 2
180 1 12 VAL H 1 19 ALA HA . . 4.830 4.649 4.505 4.831 0.001 10 0 "[ . 1 . 2]" 2
181 1 11 TYR HB3 1 12 VAL H . . 4.130 3.177 2.798 3.400 . 0 0 "[ . 1 . 2]" 2
182 1 13 CYS H 1 29 HIS HD2 . . 5.100 4.832 4.625 5.087 . 0 0 "[ . 1 . 2]" 2
183 1 13 CYS H 1 20 PHE QD . . 4.780 3.180 2.800 3.785 . 0 0 "[ . 1 . 2]" 2
184 1 13 CYS HB2 1 15 ASP H . . 4.780 4.523 4.222 4.767 . 0 0 "[ . 1 . 2]" 2
185 1 15 ASP H 1 33 HIS HD2 . . 5.000 4.633 4.243 5.003 0.003 20 0 "[ . 1 . 2]" 2
186 1 15 ASP H 1 15 ASP HB3 . . 3.630 3.346 2.542 3.633 0.003 19 0 "[ . 1 . 2]" 2
187 1 16 CYS H 1 17 GLY H . . 2.870 2.150 1.980 2.307 . 0 0 "[ . 1 . 2]" 2
188 1 17 GLY H 1 18 LYS H . . 3.600 1.945 1.839 2.043 . 0 0 "[ . 1 . 2]" 2
189 1 12 VAL MG1 1 18 LYS H . . 4.930 3.914 3.531 4.415 . 0 0 "[ . 1 . 2]" 2
190 1 16 CYS HA 1 18 LYS H . . 5.500 5.058 4.874 5.281 . 0 0 "[ . 1 . 2]" 2
191 1 18 LYS H 1 19 ALA HA . . 5.500 5.331 5.156 5.468 . 0 0 "[ . 1 . 2]" 2
192 1 18 LYS H 1 20 PHE QE . . 5.080 4.115 3.634 4.705 . 0 0 "[ . 1 . 2]" 2
193 1 18 LYS H 1 18 LYS HB3 . . 3.510 2.816 2.554 3.493 . 0 0 "[ . 1 . 2]" 2
194 1 19 ALA H 1 20 PHE H . . 4.780 4.540 4.394 4.603 . 0 0 "[ . 1 . 2]" 2
195 1 20 PHE H 1 20 PHE QE . . 5.400 5.023 4.704 5.244 . 0 0 "[ . 1 . 2]" 2
196 1 11 TYR QD 1 20 PHE H . . 4.940 4.366 4.135 4.553 . 0 0 "[ . 1 . 2]" 2
197 1 13 CYS H 1 20 PHE H . . 4.910 4.669 4.338 4.894 . 0 0 "[ . 1 . 2]" 2
198 1 11 TYR QD 1 22 PHE H . . 4.640 4.244 4.033 4.528 . 0 0 "[ . 1 . 2]" 2
199 1 24 SER H 1 24 SER QB . . 3.470 2.327 2.136 2.639 . 0 0 "[ . 1 . 2]" 2
200 1 23 LYS HA 1 25 GLN H . . 4.630 4.357 3.858 4.594 . 0 0 "[ . 1 . 2]" 2
201 1 20 PHE HB3 1 25 GLN H . . 4.910 4.616 4.291 4.810 . 0 0 "[ . 1 . 2]" 2
202 1 25 GLN H 1 26 LEU HB2 . . 5.500 5.379 5.144 5.488 . 0 0 "[ . 1 . 2]" 2
203 1 25 GLN H 1 25 GLN HG3 . . 3.910 3.363 2.260 3.867 . 0 0 "[ . 1 . 2]" 2
204 1 22 PHE QD 1 25 GLN H . . 4.810 4.583 4.278 4.811 0.001 12 0 "[ . 1 . 2]" 2
205 1 22 PHE HA 1 25 GLN H . . 4.920 4.797 4.645 4.917 . 0 0 "[ . 1 . 2]" 2
206 1 25 GLN HB3 1 25 GLN HE22 . . 5.110 4.164 3.362 4.700 . 0 0 "[ . 1 . 2]" 2
207 1 26 LEU H 1 27 ILE HB . . 4.970 4.828 4.699 4.917 . 0 0 "[ . 1 . 2]" 2
208 1 24 SER H 1 26 LEU H . . 4.750 4.397 4.191 4.536 . 0 0 "[ . 1 . 2]" 2
209 1 20 PHE QD 1 26 LEU H . . 4.480 4.167 4.030 4.324 . 0 0 "[ . 1 . 2]" 2
210 1 27 ILE H 1 27 ILE HG12 . . 3.670 3.383 3.290 3.528 . 0 0 "[ . 1 . 2]" 2
211 1 27 ILE HG13 1 28 VAL H . . 4.600 4.240 4.147 4.346 . 0 0 "[ . 1 . 2]" 2
212 1 28 VAL H 1 29 HIS HB2 . . 5.500 5.321 5.108 5.473 . 0 0 "[ . 1 . 2]" 2
213 1 28 VAL H 1 30 GLN HG3 . . 5.500 5.303 4.880 5.499 . 0 0 "[ . 1 . 2]" 2
214 1 26 LEU H 1 28 VAL H . . 4.830 4.210 3.974 4.360 . 0 0 "[ . 1 . 2]" 2
215 1 29 HIS H 1 29 HIS HB3 . . 3.000 2.275 2.224 2.348 . 0 0 "[ . 1 . 2]" 2
216 1 28 VAL H 1 29 HIS H . . 3.320 2.614 2.475 2.756 . 0 0 "[ . 1 . 2]" 2
217 1 29 HIS H 1 29 HIS HD2 . . 4.910 4.743 4.594 4.899 . 0 0 "[ . 1 . 2]" 2
218 1 26 LEU HA 1 30 GLN H . . 4.310 3.747 3.551 4.006 . 0 0 "[ . 1 . 2]" 2
219 1 28 VAL H 1 30 GLN H . . 4.770 4.454 4.128 4.623 . 0 0 "[ . 1 . 2]" 2
220 1 20 PHE QE 1 30 GLN H . . 5.310 4.997 4.601 5.308 . 0 0 "[ . 1 . 2]" 2
221 1 30 GLN H 1 33 HIS HD2 . . 5.500 4.748 4.530 5.237 . 0 0 "[ . 1 . 2]" 2
222 1 26 LEU HG 1 30 GLN HE21 . . 5.010 2.635 1.899 4.591 . 0 0 "[ . 1 . 2]" 2
223 1 26 LEU HG 1 30 GLN HE22 . . 5.010 3.637 3.115 4.538 . 0 0 "[ . 1 . 2]" 2
224 1 31 GLY H 1 32 ILE H . . 3.490 2.828 2.497 2.987 . 0 0 "[ . 1 . 2]" 2
225 1 11 TYR H 1 19 ALA MB . . 5.250 5.010 4.748 5.250 . 0 0 "[ . 1 . 2]" 2
226 1 13 CYS H 1 19 ALA MB . . 4.880 4.670 4.362 4.883 0.003 10 0 "[ . 1 . 2]" 2
227 1 19 ALA MB 1 20 PHE QD . . 4.760 4.483 4.253 4.746 . 0 0 "[ . 1 . 2]" 2
228 1 12 VAL HA 1 19 ALA MB . . 3.830 3.440 3.141 3.710 . 0 0 "[ . 1 . 2]" 2
229 1 18 LYS HA 1 19 ALA MB . . 4.020 3.907 3.824 3.992 . 0 0 "[ . 1 . 2]" 2
230 1 18 LYS H 1 26 LEU MD1 . . 5.280 4.898 4.693 5.267 . 0 0 "[ . 1 . 2]" 2
231 1 26 LEU MD1 1 27 ILE H . . 5.490 4.240 4.133 4.356 . 0 0 "[ . 1 . 2]" 2
232 1 26 LEU MD1 1 29 HIS HD2 . . 3.430 2.363 1.993 2.802 . 0 0 "[ . 1 . 2]" 2
233 1 13 CYS HB2 1 26 LEU MD1 . . 3.350 2.264 2.027 2.587 . 0 0 "[ . 1 . 2]" 2
234 1 26 LEU MD1 1 30 GLN HG3 . . 3.770 2.453 2.063 2.830 . 0 0 "[ . 1 . 2]" 2
235 1 26 LEU MD1 1 30 GLN HB2 . . 4.850 4.454 4.009 4.806 . 0 0 "[ . 1 . 2]" 2
236 1 12 VAL H 1 26 LEU MD1 . . 4.890 4.153 3.627 4.498 . 0 0 "[ . 1 . 2]" 2
237 1 20 PHE QE 1 26 LEU MD1 . . 3.580 2.474 2.184 2.997 . 0 0 "[ . 1 . 2]" 2
238 1 13 CYS HA 1 26 LEU MD1 . . 3.370 2.090 1.949 2.329 . 0 0 "[ . 1 . 2]" 2
239 1 26 LEU MD1 1 27 ILE HA . . 4.950 4.504 4.244 4.711 . 0 0 "[ . 1 . 2]" 2
240 1 27 ILE H 1 28 VAL MG2 . . 4.740 4.448 4.284 4.611 . 0 0 "[ . 1 . 2]" 2
241 1 25 GLN HA 1 28 VAL MG2 . . 3.770 3.430 3.227 3.647 . 0 0 "[ . 1 . 2]" 2
242 1 27 ILE HB 1 28 VAL MG2 . . 4.190 3.131 3.012 3.274 . 0 0 "[ . 1 . 2]" 2
243 1 21 THR MG 1 22 PHE HA . . 5.020 3.730 3.597 3.858 . 0 0 "[ . 1 . 2]" 2
244 1 10 PRO HD3 1 21 THR MG . . 4.930 4.147 3.805 4.353 . 0 0 "[ . 1 . 2]" 2
245 1 21 THR MG 1 22 PHE QD . . 4.010 3.331 2.092 3.701 . 0 0 "[ . 1 . 2]" 2
246 1 21 THR MG 1 22 PHE HZ . . 4.480 3.708 3.297 4.262 . 0 0 "[ . 1 . 2]" 2
247 1 9 LYS HA 1 21 THR MG . . 4.720 4.277 4.040 4.585 . 0 0 "[ . 1 . 2]" 2
248 1 33 HIS QB 1 34 THR MG . . 4.450 3.412 2.903 4.150 . 0 0 "[ . 1 . 2]" 2
249 1 12 VAL MG2 1 13 CYS H . . 4.130 4.107 4.052 4.143 0.013 20 0 "[ . 1 . 2]" 2
250 1 12 VAL MG2 1 19 ALA HA . . 3.850 2.725 2.378 3.149 . 0 0 "[ . 1 . 2]" 2
251 1 12 VAL HA 1 12 VAL MG2 . . 3.250 2.390 2.304 2.452 . 0 0 "[ . 1 . 2]" 2
252 1 10 PRO HD2 1 12 VAL MG2 . . 5.500 5.452 5.359 5.504 0.004 15 0 "[ . 1 . 2]" 2
253 1 12 VAL MG2 1 17 GLY HA2 . . 5.500 5.210 4.976 5.446 . 0 0 "[ . 1 . 2]" 2
254 1 12 VAL MG2 1 19 ALA MB . . 3.140 2.366 2.067 2.734 . 0 0 "[ . 1 . 2]" 2
255 1 13 CYS HB3 1 17 GLY HA2 . . 4.830 3.539 3.076 3.980 . 0 0 "[ . 1 . 2]" 2
256 1 28 VAL MG1 1 29 HIS HA . . 3.650 3.490 3.305 3.646 . 0 0 "[ . 1 . 2]" 2
257 1 25 GLN HA 1 28 VAL MG1 . . 4.600 4.533 4.412 4.600 . 0 0 "[ . 1 . 2]" 2
258 1 12 VAL H 1 12 VAL MG1 . . 4.330 3.905 3.864 3.992 . 0 0 "[ . 1 . 2]" 2
259 1 12 VAL MG1 1 17 GLY H . . 4.660 4.285 3.950 4.587 . 0 0 "[ . 1 . 2]" 2
260 1 12 VAL MG1 1 19 ALA HA . . 4.320 3.317 2.696 3.643 . 0 0 "[ . 1 . 2]" 2
261 1 12 VAL HA 1 12 VAL MG1 . . 3.470 2.409 2.314 2.469 . 0 0 "[ . 1 . 2]" 2
262 1 12 VAL MG1 1 17 GLY HA3 . . 3.830 3.778 3.635 3.832 0.002 20 0 "[ . 1 . 2]" 2
263 1 12 VAL MG1 1 17 GLY HA2 . . 3.540 2.701 2.574 2.856 . 0 0 "[ . 1 . 2]" 2
264 1 12 VAL MG1 1 13 CYS HB3 . . 4.610 3.816 3.698 3.931 . 0 0 "[ . 1 . 2]" 2
265 1 12 VAL MG1 1 19 ALA MB . . 3.870 3.307 3.002 3.650 . 0 0 "[ . 1 . 2]" 2
266 1 21 THR HB 1 22 PHE QD . . 3.940 3.090 2.003 3.727 . 0 0 "[ . 1 . 2]" 2
267 1 21 THR HB 1 22 PHE HB2 . . 4.860 4.399 4.080 4.630 . 0 0 "[ . 1 . 2]" 2
268 1 20 PHE HB3 1 23 LYS HA . . 5.500 5.106 4.853 5.401 . 0 0 "[ . 1 . 2]" 2
269 1 11 TYR HB2 1 20 PHE HB3 . . 4.260 3.870 3.583 4.067 . 0 0 "[ . 1 . 2]" 2
270 1 20 PHE HB3 1 25 GLN HB3 . . 3.920 2.824 2.530 3.101 . 0 0 "[ . 1 . 2]" 2
271 1 20 PHE HB3 1 26 LEU HB2 . . 4.480 3.624 3.320 3.930 . 0 0 "[ . 1 . 2]" 2
272 1 20 PHE HB3 1 26 LEU MD1 . . 4.920 4.729 4.525 4.904 . 0 0 "[ . 1 . 2]" 2
273 1 20 PHE HB2 1 22 PHE H . . 4.570 4.309 4.025 4.562 . 0 0 "[ . 1 . 2]" 2
274 1 20 PHE HB2 1 26 LEU H . . 4.600 3.591 3.381 3.897 . 0 0 "[ . 1 . 2]" 2
275 1 19 ALA HA 1 20 PHE HB2 . . 4.960 4.482 4.393 4.585 . 0 0 "[ . 1 . 2]" 2
276 1 11 TYR HB3 1 20 PHE HB2 . . 4.120 3.405 3.141 3.579 . 0 0 "[ . 1 . 2]" 2
277 1 11 TYR HB2 1 20 PHE HB2 . . 3.860 2.448 2.208 2.650 . 0 0 "[ . 1 . 2]" 2
278 1 20 PHE HB2 1 25 GLN HB3 . . 4.560 4.244 3.825 4.550 . 0 0 "[ . 1 . 2]" 2
279 1 20 PHE HB2 1 26 LEU HB2 . . 4.120 2.477 2.115 2.643 . 0 0 "[ . 1 . 2]" 2
280 1 20 PHE HB2 1 26 LEU MD1 . . 4.610 3.650 3.197 3.859 . 0 0 "[ . 1 . 2]" 2
281 1 9 LYS QE 1 19 ALA MB . . 3.600 2.815 1.919 3.608 0.008 10 0 "[ . 1 . 2]" 2
282 1 22 PHE HB3 1 24 SER QB . . 4.900 3.713 3.037 4.527 . 0 0 "[ . 1 . 2]" 2
283 1 23 LYS HE2 1 27 ILE MD . . 4.310 3.226 2.012 4.302 . 0 0 "[ . 1 . 2]" 2
284 1 27 ILE H 1 27 ILE MG . . 3.850 3.772 3.766 3.778 . 0 0 "[ . 1 . 2]" 2
285 1 24 SER HA 1 27 ILE MG . . 4.210 4.069 3.891 4.207 . 0 0 "[ . 1 . 2]" 2
286 1 27 ILE MG 1 28 VAL HA . . 4.150 3.466 3.256 3.645 . 0 0 "[ . 1 . 2]" 2
287 1 27 ILE MG 1 30 GLN HG3 . . 5.170 4.972 4.411 5.171 0.001 17 0 "[ . 1 . 2]" 2
288 1 27 ILE MG 1 30 GLN HB2 . . 5.000 4.141 3.849 4.289 . 0 0 "[ . 1 . 2]" 2
289 1 15 ASP HB2 1 33 HIS HD2 . . 4.710 2.843 2.067 3.767 . 0 0 "[ . 1 . 2]" 2
290 1 11 TYR QD 1 21 THR HA . . 4.640 3.390 3.159 3.642 . 0 0 "[ . 1 . 2]" 2
291 1 10 PRO HD2 1 21 THR HA . . 3.480 2.355 2.172 2.460 . 0 0 "[ . 1 . 2]" 2
292 1 9 LYS HB3 1 21 THR HA . . 4.670 2.893 2.450 3.421 . 0 0 "[ . 1 . 2]" 2
293 1 21 THR HA 1 21 THR MG . . 3.310 2.356 2.268 2.441 . 0 0 "[ . 1 . 2]" 2
294 1 28 VAL HA 1 30 GLN H . . 5.110 4.832 4.525 5.096 . 0 0 "[ . 1 . 2]" 2
295 1 28 VAL HA 1 28 VAL MG2 . . 2.990 2.343 2.238 2.430 . 0 0 "[ . 1 . 2]" 2
296 1 28 VAL HA 1 28 VAL MG1 . . 3.180 2.412 2.312 2.478 . 0 0 "[ . 1 . 2]" 2
297 1 29 HIS HE1 1 32 ILE MG . . 4.430 4.224 3.934 4.432 0.002 14 0 "[ . 1 . 2]" 2
298 1 20 PHE QD 1 26 LEU HB3 . . 4.780 4.398 4.170 4.674 . 0 0 "[ . 1 . 2]" 2
299 1 11 TYR HB3 1 26 LEU HB3 . . 4.050 3.595 3.257 3.933 . 0 0 "[ . 1 . 2]" 2
300 1 26 LEU HB3 1 30 GLN HG3 . . 5.500 4.684 4.317 5.208 . 0 0 "[ . 1 . 2]" 2
301 1 20 PHE HB2 1 26 LEU HB3 . . 4.470 3.939 3.508 4.132 . 0 0 "[ . 1 . 2]" 2
302 1 26 LEU HB3 1 26 LEU MD2 . . 3.350 2.252 2.163 2.344 . 0 0 "[ . 1 . 2]" 2
303 1 11 TYR HB3 1 26 LEU HB2 . . 3.810 3.021 2.530 3.318 . 0 0 "[ . 1 . 2]" 2
304 1 26 LEU HB2 1 26 LEU MD2 . . 3.470 2.396 2.302 2.486 . 0 0 "[ . 1 . 2]" 2
305 1 27 ILE HA 1 30 GLN H . . 4.140 3.968 3.701 4.127 . 0 0 "[ . 1 . 2]" 2
306 1 27 ILE HA 1 30 GLN HB2 . . 3.790 3.286 3.034 3.486 . 0 0 "[ . 1 . 2]" 2
307 1 27 ILE HA 1 30 GLN HB3 . . 4.890 4.776 4.562 4.889 . 0 0 "[ . 1 . 2]" 2
308 1 26 LEU HB3 1 27 ILE HA . . 4.850 4.296 4.220 4.390 . 0 0 "[ . 1 . 2]" 2
309 1 26 LEU HG 1 27 ILE HA . . 3.920 3.336 3.197 3.453 . 0 0 "[ . 1 . 2]" 2
310 1 27 ILE HA 1 27 ILE HG12 . . 3.410 2.659 2.498 2.792 . 0 0 "[ . 1 . 2]" 2
311 1 26 LEU MD2 1 27 ILE HA . . 4.590 4.421 4.272 4.590 0.000 13 0 "[ . 1 . 2]" 2
312 1 27 ILE HA 1 27 ILE MG . . 3.190 2.381 2.307 2.460 . 0 0 "[ . 1 . 2]" 2
313 1 32 ILE HA 1 32 ILE MD . . 4.210 3.797 3.460 4.162 . 0 0 "[ . 1 . 2]" 2
314 1 32 ILE HB 1 32 ILE MD . . 3.300 2.223 2.089 2.429 . 0 0 "[ . 1 . 2]" 2
315 1 29 HIS HE1 1 32 ILE MD . . 3.670 2.655 2.089 3.271 . 0 0 "[ . 1 . 2]" 2
316 1 32 ILE H 1 32 ILE MD . . 4.260 3.974 3.563 4.101 . 0 0 "[ . 1 . 2]" 2
317 1 29 HIS HA 1 32 ILE MD . . 5.330 4.833 3.921 5.274 . 0 0 "[ . 1 . 2]" 2
318 1 10 PRO HA 1 11 TYR QD . . 5.320 5.258 5.203 5.289 . 0 0 "[ . 1 . 2]" 2
319 1 10 PRO HA 1 11 TYR HA . . 4.830 4.697 4.661 4.717 . 0 0 "[ . 1 . 2]" 2
320 1 10 PRO HA 1 12 VAL MG2 . . 4.380 4.148 4.059 4.251 . 0 0 "[ . 1 . 2]" 2
321 1 11 TYR HB3 1 20 PHE HB3 . . 5.210 4.996 4.602 5.153 . 0 0 "[ . 1 . 2]" 2
322 1 10 PRO HG2 1 11 TYR HB3 . . 5.410 4.947 4.934 4.970 . 0 0 "[ . 1 . 2]" 2
323 1 11 TYR HB3 1 26 LEU HG . . 5.500 4.754 4.281 5.023 . 0 0 "[ . 1 . 2]" 2
324 1 11 TYR HB2 1 12 VAL H . . 4.740 4.033 3.766 4.190 . 0 0 "[ . 1 . 2]" 2
325 1 11 TYR HB2 1 26 LEU HB3 . . 4.780 4.408 4.088 4.695 . 0 0 "[ . 1 . 2]" 2
326 1 10 PRO HG2 1 11 TYR HB2 . . 4.920 3.968 3.918 4.023 . 0 0 "[ . 1 . 2]" 2
327 1 11 TYR HB2 1 26 LEU HB2 . . 4.100 3.430 3.116 3.633 . 0 0 "[ . 1 . 2]" 2
328 1 14 SER HB3 1 15 ASP H . . 4.880 3.769 2.765 4.578 . 0 0 "[ . 1 . 2]" 2
329 1 32 ILE HA 1 32 ILE MG . . 3.200 2.422 2.365 2.483 . 0 0 "[ . 1 . 2]" 2
330 1 33 HIS QB 1 34 THR HA . . 4.940 4.022 3.744 4.447 . 0 0 "[ . 1 . 2]" 2
331 1 24 SER HA 1 27 ILE MD . . 3.720 2.113 1.915 2.403 . 0 0 "[ . 1 . 2]" 2
332 1 27 ILE HA 1 27 ILE MD . . 3.920 3.867 3.813 3.888 . 0 0 "[ . 1 . 2]" 2
333 1 23 LYS HE3 1 27 ILE MD . . 4.310 3.474 1.984 4.292 . 0 0 "[ . 1 . 2]" 2
334 1 27 ILE HB 1 27 ILE MD . . 3.410 2.280 2.124 2.395 . 0 0 "[ . 1 . 2]" 2
335 1 23 LYS HG2 1 27 ILE MD . . 3.950 2.271 1.826 3.139 . 0 0 "[ . 1 . 2]" 2
336 1 27 ILE MD 1 28 VAL H . . 4.950 4.349 4.152 4.598 . 0 0 "[ . 1 . 2]" 2
337 1 34 THR HA 1 34 THR MG . . 3.420 2.485 2.057 3.205 . 0 0 "[ . 1 . 2]" 2
338 1 36 VAL HA 1 36 VAL MG1 . . 3.700 2.447 2.069 3.195 . 0 0 "[ . 1 . 2]" 2
339 1 22 PHE HB2 1 24 SER QB . . 5.000 4.080 3.582 4.904 . 0 0 "[ . 1 . 2]" 2
340 1 24 SER QB 1 28 VAL MG2 . . 4.700 3.749 3.164 4.355 . 0 0 "[ . 1 . 2]" 2
341 1 12 VAL HA 1 13 CYS HB3 . . 5.110 4.545 4.387 4.825 . 0 0 "[ . 1 . 2]" 2
342 1 24 SER QB 1 27 ILE HB . . 4.870 4.482 4.124 4.818 . 0 0 "[ . 1 . 2]" 2
343 1 23 LYS HB3 1 24 SER QB . . 4.870 4.211 3.942 4.594 . 0 0 "[ . 1 . 2]" 2
344 1 24 SER QB 1 27 ILE MD . . 4.600 3.707 3.351 4.041 . 0 0 "[ . 1 . 2]" 2
345 1 13 CYS HA 1 14 SER HA . . 4.730 4.377 4.363 4.391 . 0 0 "[ . 1 . 2]" 2
346 1 12 VAL MG1 1 14 SER HA . . 4.410 4.184 3.987 4.325 . 0 0 "[ . 1 . 2]" 2
347 1 14 SER HA 1 17 GLY H . . 5.110 4.603 4.269 4.944 . 0 0 "[ . 1 . 2]" 2
348 1 24 SER HA 1 28 VAL MG2 . . 5.390 3.862 3.644 4.140 . 0 0 "[ . 1 . 2]" 2
349 1 24 SER HA 1 28 VAL H . . 4.820 4.119 3.874 4.369 . 0 0 "[ . 1 . 2]" 2
350 1 23 LYS HB3 1 24 SER HA . . 4.970 4.144 3.998 4.330 . 0 0 "[ . 1 . 2]" 2
351 1 24 SER HA 1 27 ILE HB . . 3.460 2.757 2.538 2.991 . 0 0 "[ . 1 . 2]" 2
352 1 29 HIS HD2 1 30 GLN HG3 . . 4.380 3.351 2.693 3.861 . 0 0 "[ . 1 . 2]" 2
353 1 27 ILE HA 1 30 GLN HG3 . . 4.080 3.266 2.759 3.549 . 0 0 "[ . 1 . 2]" 2
354 1 30 GLN H 1 30 GLN HG2 . . 3.890 3.113 2.890 3.415 . 0 0 "[ . 1 . 2]" 2
355 1 29 HIS HD2 1 30 GLN HG2 . . 4.360 3.118 2.548 4.033 . 0 0 "[ . 1 . 2]" 2
356 1 26 LEU HG 1 30 GLN HG2 . . 4.340 3.650 3.245 4.198 . 0 0 "[ . 1 . 2]" 2
357 1 26 LEU MD1 1 30 GLN HG2 . . 3.940 2.715 2.198 3.093 . 0 0 "[ . 1 . 2]" 2
358 1 25 GLN H 1 25 GLN HG2 . . 3.910 2.740 2.384 3.423 . 0 0 "[ . 1 . 2]" 2
359 1 25 GLN HA 1 25 GLN HG2 . . 3.700 2.595 2.262 2.916 . 0 0 "[ . 1 . 2]" 2
360 1 20 PHE HB3 1 25 GLN HG2 . . 5.100 4.881 4.593 5.106 0.006 20 0 "[ . 1 . 2]" 2
361 1 22 PHE HB3 1 25 GLN HG2 . . 5.020 4.325 3.561 5.010 . 0 0 "[ . 1 . 2]" 2
362 1 20 PHE HB3 1 25 GLN HG3 . . 5.100 4.004 3.525 4.719 . 0 0 "[ . 1 . 2]" 2
363 1 22 PHE HB3 1 25 GLN HG3 . . 5.020 4.312 3.192 4.917 . 0 0 "[ . 1 . 2]" 2
364 1 20 PHE QE 1 29 HIS HA . . 5.000 4.884 4.645 5.000 . 0 0 "[ . 1 . 2]" 2
365 1 20 PHE HZ 1 29 HIS HA . . 5.070 4.641 4.081 4.909 . 0 0 "[ . 1 . 2]" 2
366 1 29 HIS HA 1 30 GLN HA . . 5.120 4.920 4.879 4.958 . 0 0 "[ . 1 . 2]" 2
367 1 28 VAL HB 1 29 HIS HA . . 4.960 4.234 4.177 4.276 . 0 0 "[ . 1 . 2]" 2
368 1 11 TYR QD 1 23 LYS HA . . 4.110 3.166 2.967 3.466 . 0 0 "[ . 1 . 2]" 2
369 1 11 TYR QE 1 23 LYS HA . . 4.000 3.398 2.903 3.744 . 0 0 "[ . 1 . 2]" 2
370 1 22 PHE HA 1 23 LYS HA . . 4.690 4.315 4.308 4.336 . 0 0 "[ . 1 . 2]" 2
371 1 23 LYS HA 1 26 LEU HB3 . . 3.560 3.071 2.787 3.379 . 0 0 "[ . 1 . 2]" 2
372 1 23 LYS HA 1 26 LEU HB2 . . 4.730 3.895 3.681 4.218 . 0 0 "[ . 1 . 2]" 2
373 1 29 HIS HA 1 29 HIS HD2 . . 5.060 4.623 4.451 4.771 . 0 0 "[ . 1 . 2]" 2
374 1 29 HIS HA 1 32 ILE HB . . 5.500 5.403 4.961 5.524 0.024 18 0 "[ . 1 . 2]" 2
375 1 26 LEU MD1 1 29 HIS HA . . 5.500 5.388 5.238 5.498 . 0 0 "[ . 1 . 2]" 2
376 1 28 VAL MG2 1 29 HIS HA . . 5.500 5.386 5.362 5.407 . 0 0 "[ . 1 . 2]" 2
377 1 29 HIS HA 1 32 ILE MG . . 4.230 2.495 2.080 2.698 . 0 0 "[ . 1 . 2]" 2
378 1 29 HIS HD2 1 30 GLN HA . . 3.750 3.050 2.567 3.543 . 0 0 "[ . 1 . 2]" 2
379 1 30 GLN HA 1 33 HIS HD2 . . 3.280 2.177 2.008 2.595 . 0 0 "[ . 1 . 2]" 2
380 1 30 GLN HA 1 33 HIS QB . . 4.330 3.722 3.306 4.173 . 0 0 "[ . 1 . 2]" 2
381 1 30 GLN HA 1 30 GLN HG2 . . 3.450 2.440 2.321 2.669 . 0 0 "[ . 1 . 2]" 2
382 1 26 LEU MD1 1 30 GLN HA . . 4.870 4.116 3.871 4.322 . 0 0 "[ . 1 . 2]" 2
383 1 30 GLN HA 1 32 ILE MG . . 5.050 4.858 4.711 5.044 . 0 0 "[ . 1 . 2]" 2
384 1 9 LYS HB2 1 9 LYS QE . . 4.950 3.028 1.984 3.989 . 0 0 "[ . 1 . 2]" 2
385 1 9 LYS HB2 1 19 ALA MB . . 3.210 2.016 1.774 2.282 . 0 0 "[ . 1 . 2]" 2
386 1 18 LYS HB3 1 20 PHE QE . . 4.420 2.204 1.997 2.898 . 0 0 "[ . 1 . 2]" 2
387 1 13 CYS HB2 1 18 LYS HB3 . . 4.950 3.289 2.641 4.746 . 0 0 "[ . 1 . 2]" 2
388 1 9 LYS HB3 1 11 TYR HB2 . . 5.500 4.087 3.914 4.244 . 0 0 "[ . 1 . 2]" 2
389 1 9 LYS HB3 1 19 ALA MB . . 3.530 3.143 2.784 3.526 . 0 0 "[ . 1 . 2]" 2
390 1 18 LYS HB2 1 19 ALA H . . 4.410 4.192 3.547 4.413 0.003 15 0 "[ . 1 . 2]" 2
391 1 18 LYS HB2 1 20 PHE QE . . 4.420 3.649 2.681 4.118 . 0 0 "[ . 1 . 2]" 2
392 1 13 CYS HB3 1 18 LYS HB2 . . 4.780 3.536 2.698 3.994 . 0 0 "[ . 1 . 2]" 2
393 1 13 CYS HB2 1 18 LYS HB2 . . 4.950 4.184 2.553 4.696 . 0 0 "[ . 1 . 2]" 2
394 1 13 CYS HB3 1 18 LYS HA . . 5.000 4.413 4.135 4.774 . 0 0 "[ . 1 . 2]" 2
395 1 18 LYS HA 1 18 LYS HG2 . . 3.930 3.116 2.728 3.727 . 0 0 "[ . 1 . 2]" 2
396 1 18 LYS HA 1 18 LYS HG3 . . 3.930 2.328 2.186 2.621 . 0 0 "[ . 1 . 2]" 2
397 1 20 PHE QD 1 26 LEU HA . . 3.970 3.281 2.718 3.553 . 0 0 "[ . 1 . 2]" 2
398 1 20 PHE QE 1 26 LEU HA . . 4.320 3.480 3.133 3.639 . 0 0 "[ . 1 . 2]" 2
399 1 26 LEU HA 1 30 GLN HG3 . . 4.570 4.029 3.668 4.359 . 0 0 "[ . 1 . 2]" 2
400 1 20 PHE HB2 1 26 LEU HA . . 4.710 3.861 3.552 4.104 . 0 0 "[ . 1 . 2]" 2
401 1 25 GLN HB2 1 26 LEU HA . . 5.350 4.541 4.398 4.707 . 0 0 "[ . 1 . 2]" 2
402 1 26 LEU HA 1 26 LEU HG . . 3.990 3.233 3.145 3.317 . 0 0 "[ . 1 . 2]" 2
403 1 26 LEU HA 1 26 LEU MD1 . . 3.190 2.192 1.988 2.388 . 0 0 "[ . 1 . 2]" 2
404 1 16 CYS HB3 1 17 GLY H . . 5.030 3.891 3.811 3.951 . 0 0 "[ . 1 . 2]" 2
405 1 16 CYS HB3 1 33 HIS HE1 . . 3.890 2.183 2.004 2.433 . 0 0 "[ . 1 . 2]" 2
406 1 20 PHE QD 1 25 GLN HA . . 4.940 4.647 4.467 4.913 . 0 0 "[ . 1 . 2]" 2
407 1 20 PHE HB3 1 25 GLN HA . . 5.270 5.038 4.793 5.183 . 0 0 "[ . 1 . 2]" 2
408 1 25 GLN HA 1 28 VAL HB . . 3.550 3.301 3.158 3.383 . 0 0 "[ . 1 . 2]" 2
409 1 26 LEU HA 1 29 HIS HA . . 5.420 5.129 4.977 5.311 . 0 0 "[ . 1 . 2]" 2
410 1 10 PRO HB2 1 12 VAL MG2 . . 5.500 5.424 5.307 5.499 . 0 0 "[ . 1 . 2]" 2
411 1 9 LYS HA 1 10 PRO HB3 . . 4.960 4.831 4.831 4.833 . 0 0 "[ . 1 . 2]" 2
412 1 8 GLU HA 1 9 LYS HB2 . . 5.040 4.605 4.201 4.982 . 0 0 "[ . 1 . 2]" 2
413 1 11 TYR QE 1 23 LYS HB3 . . 4.700 3.925 3.746 4.208 . 0 0 "[ . 1 . 2]" 2
414 1 22 PHE HA 1 23 LYS HB3 . . 4.880 4.795 4.624 4.890 0.010 13 0 "[ . 1 . 2]" 2
415 1 22 PHE HA 1 23 LYS HB2 . . 4.700 4.524 4.410 4.693 . 0 0 "[ . 1 . 2]" 2
416 1 13 CYS HB2 1 16 CYS H . . 4.880 4.546 4.355 4.679 . 0 0 "[ . 1 . 2]" 2
417 1 13 CYS HB2 1 20 PHE QD . . 4.880 3.852 3.457 4.254 . 0 0 "[ . 1 . 2]" 2
418 1 12 VAL MG1 1 13 CYS HB2 . . 4.820 4.658 4.342 4.826 0.006 12 0 "[ . 1 . 2]" 2
419 1 13 CYS HB3 1 29 HIS HD2 . . 3.930 3.846 3.649 3.929 . 0 0 "[ . 1 . 2]" 2
420 1 13 CYS HB3 1 20 PHE QE . . 4.210 3.388 2.869 4.129 . 0 0 "[ . 1 . 2]" 2
421 1 13 CYS HB3 1 18 LYS HB3 . . 4.780 3.194 2.718 4.179 . 0 0 "[ . 1 . 2]" 2
422 1 13 CYS HB3 1 26 LEU MD1 . . 3.850 3.524 3.277 3.822 . 0 0 "[ . 1 . 2]" 2
423 1 13 CYS HB2 1 20 PHE QE . . 3.890 2.416 2.006 3.310 . 0 0 "[ . 1 . 2]" 2
424 1 9 LYS HA 1 9 LYS QD . . 4.590 3.482 2.720 4.096 . 0 0 "[ . 1 . 2]" 2
425 1 23 LYS HD2 1 27 ILE MD . . 5.000 3.905 2.258 4.626 . 0 0 "[ . 1 . 2]" 2
426 1 11 TYR QE 1 23 LYS HD2 . . 4.710 3.070 2.032 4.414 . 0 0 "[ . 1 . 2]" 2
427 1 23 LYS HD3 1 27 ILE MD . . 5.000 3.688 1.965 4.688 . 0 0 "[ . 1 . 2]" 2
428 1 18 LYS HD2 1 20 PHE HZ . . 4.600 3.399 1.999 4.460 . 0 0 "[ . 1 . 2]" 2
429 1 18 LYS HD3 1 20 PHE HZ . . 4.600 2.603 1.999 3.599 . 0 0 "[ . 1 . 2]" 2
430 1 24 SER HA 1 27 ILE HG13 . . 4.440 3.436 3.237 3.605 . 0 0 "[ . 1 . 2]" 2
431 1 20 PHE QD 1 25 GLN HB2 . . 3.990 3.335 3.079 3.655 . 0 0 "[ . 1 . 2]" 2
432 1 20 PHE HB3 1 25 GLN HB2 . . 3.850 2.470 2.073 2.680 . 0 0 "[ . 1 . 2]" 2
433 1 22 PHE HB2 1 25 GLN HB2 . . 3.900 2.929 2.496 3.460 . 0 0 "[ . 1 . 2]" 2
434 1 9 LYS HA 1 21 THR HA . . 3.560 3.485 3.254 3.564 0.004 9 0 "[ . 1 . 2]" 2
435 1 9 LYS HA 1 9 LYS HG3 . . 4.060 2.526 2.161 3.327 . 0 0 "[ . 1 . 2]" 2
436 1 20 PHE QE 1 29 HIS HB3 . . 4.390 3.342 2.863 3.529 . 0 0 "[ . 1 . 2]" 2
437 1 29 HIS HB3 1 30 GLN HA . . 5.010 4.488 4.363 4.555 . 0 0 "[ . 1 . 2]" 2
438 1 26 LEU MD1 1 29 HIS HB3 . . 4.110 2.886 2.696 3.015 . 0 0 "[ . 1 . 2]" 2
439 1 29 HIS HB2 1 30 GLN H . . 4.090 3.858 3.738 3.981 . 0 0 "[ . 1 . 2]" 2
440 1 20 PHE QE 1 29 HIS HB2 . . 4.200 2.930 2.545 3.228 . 0 0 "[ . 1 . 2]" 2
441 1 26 LEU MD1 1 29 HIS HB2 . . 4.470 4.249 4.076 4.374 . 0 0 "[ . 1 . 2]" 2
442 1 27 ILE HA 1 27 ILE HG13 . . 3.720 2.828 2.717 2.924 . 0 0 "[ . 1 . 2]" 2
443 1 24 SER HA 1 27 ILE HG12 . . 4.630 4.570 4.315 4.631 0.001 19 0 "[ . 1 . 2]" 2
444 1 29 HIS H 1 30 GLN HB2 . . 5.500 4.838 4.712 4.958 . 0 0 "[ . 1 . 2]" 2
445 1 30 GLN HB2 1 30 GLN HE22 . . 5.500 4.649 4.333 4.927 . 0 0 "[ . 1 . 2]" 2
446 1 30 GLN HB2 1 33 HIS HD2 . . 5.500 4.972 4.662 5.393 . 0 0 "[ . 1 . 2]" 2
447 1 30 GLN HB3 1 30 GLN HE22 . . 5.400 4.439 3.533 4.755 . 0 0 "[ . 1 . 2]" 2
448 1 26 LEU MD1 1 30 GLN HB3 . . 5.270 4.732 4.266 5.085 . 0 0 "[ . 1 . 2]" 2
449 1 26 LEU HG 1 27 ILE H . . 4.730 3.228 3.084 3.337 . 0 0 "[ . 1 . 2]" 2
450 1 26 LEU HG 1 30 GLN HG3 . . 4.040 2.447 2.103 2.983 . 0 0 "[ . 1 . 2]" 2
451 1 10 PRO HG3 1 11 TYR QD . . 4.910 3.627 3.569 3.710 . 0 0 "[ . 1 . 2]" 2
452 1 9 LYS HA 1 10 PRO HG3 . . 4.730 4.390 4.364 4.408 . 0 0 "[ . 1 . 2]" 2
453 1 9 LYS HA 1 10 PRO HG2 . . 5.030 4.388 4.342 4.419 . 0 0 "[ . 1 . 2]" 2
454 1 26 LEU HA 1 26 LEU MD2 . . 4.450 3.927 3.899 3.951 . 0 0 "[ . 1 . 2]" 2
455 1 20 PHE QD 1 26 LEU MD2 . . 4.520 3.674 3.357 4.050 . 0 0 "[ . 1 . 2]" 2
456 1 11 TYR QE 1 26 LEU MD2 . . 4.870 4.554 3.879 4.854 . 0 0 "[ . 1 . 2]" 2
457 1 11 TYR HA 1 26 LEU MD2 . . 3.900 3.582 3.156 3.879 . 0 0 "[ . 1 . 2]" 2
458 1 11 TYR HB3 1 26 LEU MD2 . . 3.230 2.072 1.901 2.267 . 0 0 "[ . 1 . 2]" 2
459 1 11 TYR HB2 1 26 LEU MD2 . . 3.620 3.447 3.180 3.617 . 0 0 "[ . 1 . 2]" 2
460 1 26 LEU MD2 1 27 ILE H . . 4.270 3.870 3.733 3.983 . 0 0 "[ . 1 . 2]" 2
461 1 10 PRO HD2 1 21 THR MG . . 4.800 3.638 3.427 3.788 . 0 0 "[ . 1 . 2]" 2
462 1 10 PRO HD2 1 11 TYR QD . . 3.940 3.083 2.989 3.163 . 0 0 "[ . 1 . 2]" 2
463 1 9 LYS HA 1 10 PRO HD2 . . 3.270 2.246 2.188 2.284 . 0 0 "[ . 1 . 2]" 2
464 1 9 LYS HB3 1 10 PRO HD2 . . 4.490 2.464 2.290 2.732 . 0 0 "[ . 1 . 2]" 2
465 1 9 LYS HA 1 10 PRO HD3 . . 3.190 2.260 2.255 2.266 . 0 0 "[ . 1 . 2]" 2
466 1 10 PRO HD3 1 21 THR HA . . 3.840 3.778 3.561 3.844 0.004 20 0 "[ . 1 . 2]" 2
467 1 9 LYS HB3 1 10 PRO HD3 . . 4.750 3.835 3.695 4.037 . 0 0 "[ . 1 . 2]" 2
468 1 23 LYS HG3 1 27 ILE MD . . 3.950 3.069 1.979 3.829 . 0 0 "[ . 1 . 2]" 2
469 1 11 TYR QD 1 23 LYS HG2 . . 4.940 4.756 4.219 4.937 . 0 0 "[ . 1 . 2]" 2
470 1 9 LYS HA 1 9 LYS HG2 . . 4.060 3.197 2.468 3.616 . 0 0 "[ . 1 . 2]" 2
471 1 38 GLY HA2 1 39 PRO QD . . 3.550 2.473 1.956 3.456 . 0 0 "[ . 1 . 2]" 2
472 1 38 GLY HA3 1 39 PRO QD . . 3.550 2.505 1.971 3.400 . 0 0 "[ . 1 . 2]" 2
473 1 10 PRO HD3 1 11 TYR QE . . 5.320 5.068 4.983 5.176 . 0 0 "[ . 1 . 2]" 2
474 1 11 TYR H 1 11 TYR QE . . 4.470 3.971 3.919 4.062 . 0 0 "[ . 1 . 2]" 2
475 1 11 TYR QE 1 22 PHE HA . . 3.750 2.944 2.567 3.296 . 0 0 "[ . 1 . 2]" 2
476 1 11 TYR HA 1 11 TYR QE . . 4.860 4.773 4.749 4.788 . 0 0 "[ . 1 . 2]" 2
477 1 10 PRO HD2 1 11 TYR QE . . 4.420 4.285 4.152 4.421 0.001 15 0 "[ . 1 . 2]" 2
478 1 10 PRO HG3 1 11 TYR QE . . 4.590 3.319 3.274 3.396 . 0 0 "[ . 1 . 2]" 2
479 1 10 PRO HG2 1 11 TYR QE . . 3.820 2.728 2.689 2.793 . 0 0 "[ . 1 . 2]" 2
480 1 11 TYR QE 1 23 LYS HD3 . . 4.710 3.192 2.006 4.709 . 0 0 "[ . 1 . 2]" 2
481 1 11 TYR QE 1 23 LYS HG3 . . 4.850 3.154 2.158 4.577 . 0 0 "[ . 1 . 2]" 2
482 1 10 PRO HB2 1 11 TYR QE . . 4.540 4.179 4.013 4.258 . 0 0 "[ . 1 . 2]" 2
483 1 11 TYR QE 1 23 LYS HG2 . . 4.850 4.037 3.711 4.410 . 0 0 "[ . 1 . 2]" 2
484 1 11 TYR QE 1 23 LYS HB2 . . 4.040 2.395 2.097 2.804 . 0 0 "[ . 1 . 2]" 2
485 1 20 PHE QE 1 29 HIS HE1 . . 5.500 4.563 4.046 5.025 . 0 0 "[ . 1 . 2]" 2
486 1 16 CYS HA 1 33 HIS HE1 . . 4.680 4.291 3.955 4.678 . 0 0 "[ . 1 . 2]" 2
487 1 16 CYS HB2 1 33 HIS HE1 . . 3.890 3.773 3.584 3.890 . 0 0 "[ . 1 . 2]" 2
488 1 18 LYS HD2 1 29 HIS HE1 . . 4.080 2.954 2.057 4.053 . 0 0 "[ . 1 . 2]" 2
489 1 18 LYS HD3 1 29 HIS HE1 . . 4.080 3.449 2.480 4.046 . 0 0 "[ . 1 . 2]" 2
490 1 29 HIS HE1 1 32 ILE HG12 . . 5.220 3.333 2.481 4.164 . 0 0 "[ . 1 . 2]" 2
491 1 32 ILE HG12 1 33 HIS HE1 . . 5.500 4.779 4.281 5.262 . 0 0 "[ . 1 . 2]" 2
492 1 32 ILE MD 1 33 HIS HE1 . . 3.860 2.690 2.360 2.963 . 0 0 "[ . 1 . 2]" 2
493 1 11 TYR QD 1 22 PHE HA . . 4.260 3.850 3.546 4.150 . 0 0 "[ . 1 . 2]" 2
494 1 10 PRO HG2 1 11 TYR QD . . 3.860 2.061 1.995 2.156 . 0 0 "[ . 1 . 2]" 2
495 1 10 PRO HB2 1 11 TYR QD . . 4.550 3.884 3.789 3.960 . 0 0 "[ . 1 . 2]" 2
496 1 11 TYR QD 1 23 LYS HB2 . . 4.710 3.784 3.448 4.088 . 0 0 "[ . 1 . 2]" 2
497 1 11 TYR QD 1 12 VAL H . . 4.450 4.347 4.142 4.453 0.003 9 0 "[ . 1 . 2]" 2
498 1 11 TYR HA 1 11 TYR QD . . 3.510 3.006 2.991 3.038 . 0 0 "[ . 1 . 2]" 2
499 1 10 PRO HD3 1 11 TYR QD . . 4.500 4.485 4.403 4.516 0.016 10 0 "[ . 1 . 2]" 2
500 1 11 TYR QD 1 20 PHE HB2 . . 4.650 4.001 3.721 4.247 . 0 0 "[ . 1 . 2]" 2
501 1 11 TYR QD 1 23 LYS HG3 . . 4.940 3.577 2.839 4.868 . 0 0 "[ . 1 . 2]" 2
502 1 11 TYR QD 1 26 LEU HB2 . . 5.290 4.404 3.872 4.700 . 0 0 "[ . 1 . 2]" 2
503 1 11 TYR QD 1 26 LEU MD2 . . 3.640 2.787 1.965 3.148 . 0 0 "[ . 1 . 2]" 2
504 1 20 PHE QD 1 22 PHE H . . 4.840 4.727 4.446 4.838 . 0 0 "[ . 1 . 2]" 2
505 1 19 ALA HA 1 20 PHE QD . . 4.000 3.330 3.055 3.717 . 0 0 "[ . 1 . 2]" 2
506 1 20 PHE HA 1 20 PHE QD . . 4.070 2.936 2.757 3.115 . 0 0 "[ . 1 . 2]" 2
507 1 12 VAL HA 1 20 PHE QD . . 4.480 3.561 3.099 4.151 . 0 0 "[ . 1 . 2]" 2
508 1 11 TYR HB3 1 20 PHE QD . . 4.370 4.054 3.678 4.294 . 0 0 "[ . 1 . 2]" 2
509 1 11 TYR HB2 1 20 PHE QD . . 4.120 3.783 3.389 4.014 . 0 0 "[ . 1 . 2]" 2
510 1 20 PHE QD 1 25 GLN HB3 . . 3.530 2.242 2.038 2.448 . 0 0 "[ . 1 . 2]" 2
511 1 20 PHE QD 1 26 LEU HG . . 5.100 4.774 4.490 5.082 . 0 0 "[ . 1 . 2]" 2
512 1 20 PHE QD 1 26 LEU HB2 . . 3.810 2.762 2.498 3.110 . 0 0 "[ . 1 . 2]" 2
513 1 20 PHE QD 1 26 LEU MD1 . . 3.390 2.205 1.985 2.499 . 0 0 "[ . 1 . 2]" 2
514 1 22 PHE HA 1 22 PHE QD . . 3.930 2.699 2.240 3.177 . 0 0 "[ . 1 . 2]" 2
515 1 20 PHE QE 1 25 GLN HB2 . . 5.500 5.169 4.850 5.434 . 0 0 "[ . 1 . 2]" 2
516 1 18 LYS HB2 1 20 PHE HZ . . 4.450 3.898 3.406 4.449 . 0 0 "[ . 1 . 2]" 2
517 1 20 PHE HZ 1 29 HIS HE1 . . 4.870 3.747 3.377 4.290 . 0 0 "[ . 1 . 2]" 2
518 1 20 PHE HZ 1 29 HIS HD2 . . 4.970 3.657 3.051 4.603 . 0 0 "[ . 1 . 2]" 2
519 1 20 PHE HZ 1 29 HIS HB3 . . 4.430 3.243 2.940 3.586 . 0 0 "[ . 1 . 2]" 2
520 1 20 PHE HZ 1 29 HIS HB2 . . 3.880 2.652 2.000 2.937 . 0 0 "[ . 1 . 2]" 2
521 1 18 LYS HB3 1 20 PHE HZ . . 4.450 2.885 2.233 3.751 . 0 0 "[ . 1 . 2]" 2
522 1 30 GLN HB3 1 33 HIS HD2 . . 4.970 3.884 3.391 4.288 . 0 0 "[ . 1 . 2]" 2
523 1 29 HIS HD2 1 33 HIS HD2 . . 4.410 4.010 3.680 4.389 . 0 0 "[ . 1 . 2]" 2
524 1 33 HIS QB 1 33 HIS HD2 . . 3.540 2.634 2.624 2.701 . 0 0 "[ . 1 . 2]" 2
525 1 30 GLN HG2 1 33 HIS HD2 . . 4.420 3.738 3.362 4.262 . 0 0 "[ . 1 . 2]" 2
526 1 15 ASP HB3 1 33 HIS HD2 . . 4.710 3.360 2.651 4.030 . 0 0 "[ . 1 . 2]" 2
527 1 20 PHE QE 1 29 HIS HD2 . . 3.840 2.924 2.474 3.359 . 0 0 "[ . 1 . 2]" 2
528 1 13 CYS HA 1 29 HIS HD2 . . 4.950 4.227 3.970 4.484 . 0 0 "[ . 1 . 2]" 2
529 1 29 HIS HB3 1 29 HIS HD2 . . 3.900 2.758 2.701 2.824 . 0 0 "[ . 1 . 2]" 2
530 1 13 CYS HB2 1 29 HIS HD2 . . 3.450 2.469 2.237 2.835 . 0 0 "[ . 1 . 2]" 2
531 1 12 VAL HA 1 19 ALA HA . . 3.500 2.085 1.999 2.316 . 0 0 "[ . 1 . 2]" 2
532 1 16 CYS HB2 1 17 GLY H . . 5.030 3.620 3.340 3.744 . 0 0 "[ . 1 . 2]" 2
533 1 9 LYS HB3 1 9 LYS QE . . 4.850 3.860 3.280 4.444 . 0 0 "[ . 1 . 2]" 2
534 1 21 THR MG 1 22 PHE QE . . 4.040 3.124 2.210 3.634 . 0 0 "[ . 1 . 2]" 2
535 1 25 GLN HA 1 25 GLN HG3 . . 3.700 3.555 3.012 3.700 . 9 0 "[ . 1 . 2]" 2
536 1 25 GLN HB3 1 26 LEU H . . 4.300 3.379 3.112 3.568 . 0 0 "[ . 1 . 2]" 2
537 1 26 LEU HB2 1 26 LEU MD1 . . 3.630 2.318 2.196 2.429 . 0 0 "[ . 1 . 2]" 2
538 1 27 ILE HG13 1 27 ILE MG . . 3.410 3.174 3.144 3.194 . 0 0 "[ . 1 . 2]" 2
539 1 27 ILE HG12 1 27 ILE MG . . 3.290 2.224 2.070 2.336 . 0 0 "[ . 1 . 2]" 2
540 1 26 LEU HA 1 29 HIS HB2 . . 3.920 3.555 3.399 3.761 . 0 0 "[ . 1 . 2]" 2
541 1 26 LEU HA 1 29 HIS HB3 . . 3.280 2.293 2.126 2.479 . 0 0 "[ . 1 . 2]" 2
542 1 29 HIS HE1 1 32 ILE HG13 . . 5.220 4.382 3.774 5.009 . 0 0 "[ . 1 . 2]" 2
543 1 32 ILE HG13 1 33 HIS HE1 . . 5.500 4.370 3.426 5.185 . 0 0 "[ . 1 . 2]" 2
544 1 8 GLU H 1 8 GLU QB . . 3.600 2.580 2.162 3.213 . 0 0 "[ . 1 . 2]" 2
545 1 8 GLU H 1 8 GLU QG . . 4.560 3.174 2.038 4.156 . 0 0 "[ . 1 . 2]" 2
546 1 8 GLU QB 1 9 LYS H . . 4.440 3.483 2.138 4.017 . 0 0 "[ . 1 . 2]" 2
547 1 9 LYS H 1 9 LYS QG . . 4.560 3.207 1.908 3.915 . 0 0 "[ . 1 . 2]" 2
548 1 9 LYS HA 1 9 LYS QG . . 3.390 2.330 2.141 2.548 . 0 0 "[ . 1 . 2]" 2
549 1 9 LYS QG 1 10 PRO HD2 . . 4.060 3.043 2.641 3.513 . 0 0 "[ . 1 . 2]" 2
550 1 9 LYS QG 1 21 THR H . . 4.430 2.854 2.269 4.183 . 0 0 "[ . 1 . 2]" 2
551 1 9 LYS QG 1 21 THR HA . . 3.940 2.327 1.966 3.333 . 0 0 "[ . 1 . 2]" 2
552 1 11 TYR QD 1 23 LYS QG . . 4.310 3.420 2.811 4.309 . 0 0 "[ . 1 . 2]" 2
553 1 11 TYR QE 1 23 LYS QG . . 4.270 2.901 2.145 3.712 . 0 0 "[ . 1 . 2]" 2
554 1 11 TYR QE 1 23 LYS QD . . 4.050 2.513 1.978 3.973 . 0 0 "[ . 1 . 2]" 2
555 1 11 TYR QE 1 23 LYS QE . . 4.430 3.800 2.389 4.428 . 0 0 "[ . 1 . 2]" 2
556 1 13 CYS HA 1 30 GLN QE . . 4.720 3.430 2.113 4.695 . 0 0 "[ . 1 . 2]" 2
557 1 13 CYS HB2 1 18 LYS QB . . 4.350 3.097 2.497 3.516 . 0 0 "[ . 1 . 2]" 2
558 1 13 CYS HB3 1 18 LYS QB . . 4.060 2.899 2.557 3.376 . 0 0 "[ . 1 . 2]" 2
559 1 14 SER QB 1 15 ASP H . . 4.070 3.298 2.666 4.033 . 0 0 "[ . 1 . 2]" 2
560 1 15 ASP H 1 15 ASP QB . . 3.030 2.379 2.143 2.554 . 0 0 "[ . 1 . 2]" 2
561 1 15 ASP QB 1 16 CYS H . . 3.240 2.317 1.973 2.804 . 0 0 "[ . 1 . 2]" 2
562 1 15 ASP QB 1 17 GLY H . . 4.490 4.173 3.940 4.462 . 0 0 "[ . 1 . 2]" 2
563 1 15 ASP QB 1 33 HIS HD2 . . 4.000 2.637 2.023 3.196 . 0 0 "[ . 1 . 2]" 2
564 1 16 CYS H 1 16 CYS QB . . 3.500 2.863 2.689 3.020 . 0 0 "[ . 1 . 2]" 2
565 1 16 CYS QB 1 33 HIS HE1 . . 3.180 2.169 1.996 2.408 . 0 0 "[ . 1 . 2]" 2
566 1 18 LYS H 1 18 LYS QB . . 2.920 2.239 2.154 2.340 . 0 0 "[ . 1 . 2]" 2
567 1 18 LYS H 1 18 LYS QG . . 4.030 3.873 2.926 4.043 0.013 19 0 "[ . 1 . 2]" 2
568 1 18 LYS HA 1 18 LYS QD . . 4.540 3.867 3.078 4.096 . 0 0 "[ . 1 . 2]" 2
569 1 18 LYS QB 1 19 ALA H . . 3.760 3.415 2.029 3.763 0.003 12 0 "[ . 1 . 2]" 2
570 1 18 LYS QB 1 20 PHE QD . . 5.340 3.882 3.646 4.057 . 0 0 "[ . 1 . 2]" 2
571 1 18 LYS QB 1 20 PHE QE . . 3.840 2.162 1.988 2.660 . 0 0 "[ . 1 . 2]" 2
572 1 18 LYS QB 1 20 PHE HZ . . 3.860 2.797 2.207 3.564 . 0 0 "[ . 1 . 2]" 2
573 1 18 LYS QB 1 29 HIS HE1 . . 4.870 3.260 2.467 4.365 . 0 0 "[ . 1 . 2]" 2
574 1 18 LYS QE 1 18 LYS QG . . 3.310 2.227 2.058 2.566 . 0 0 "[ . 1 . 2]" 2
575 1 18 LYS QG 1 19 ALA H . . 3.600 2.684 1.911 3.138 . 0 0 "[ . 1 . 2]" 2
576 1 18 LYS QG 1 20 PHE QE . . 4.630 3.224 2.280 4.393 . 0 0 "[ . 1 . 2]" 2
577 1 18 LYS QG 1 20 PHE HZ . . 4.520 3.090 2.091 4.404 . 0 0 "[ . 1 . 2]" 2
578 1 18 LYS QD 1 20 PHE QD . . 5.340 4.821 4.421 5.262 . 0 0 "[ . 1 . 2]" 2
579 1 18 LYS QD 1 20 PHE QE . . 5.020 3.222 2.881 3.867 . 0 0 "[ . 1 . 2]" 2
580 1 18 LYS QD 1 20 PHE HZ . . 4.030 2.367 1.976 3.447 . 0 0 "[ . 1 . 2]" 2
581 1 20 PHE QD 1 25 GLN QG . . 4.530 3.838 3.556 4.224 . 0 0 "[ . 1 . 2]" 2
582 1 22 PHE HB3 1 25 GLN QG . . 4.260 3.702 3.155 4.186 . 0 0 "[ . 1 . 2]" 2
583 1 23 LYS H 1 23 LYS QG . . 4.200 3.974 3.930 4.012 . 0 0 "[ . 1 . 2]" 2
584 1 23 LYS HA 1 23 LYS QG . . 3.210 2.527 2.319 2.955 . 0 0 "[ . 1 . 2]" 2
585 1 23 LYS HA 1 23 LYS QD . . 4.250 3.526 2.116 4.256 0.006 19 0 "[ . 1 . 2]" 2
586 1 23 LYS HB2 1 23 LYS QD . . 3.690 2.339 2.104 3.001 . 0 0 "[ . 1 . 2]" 2
587 1 23 LYS HB3 1 23 LYS QD . . 3.670 2.741 2.115 3.293 . 0 0 "[ . 1 . 2]" 2
588 1 23 LYS QG 1 24 SER H . . 5.340 3.448 3.038 3.820 . 0 0 "[ . 1 . 2]" 2
589 1 23 LYS QG 1 24 SER HA . . 4.980 3.607 3.162 3.924 . 0 0 "[ . 1 . 2]" 2
590 1 23 LYS QG 1 27 ILE H . . 4.460 3.723 3.367 4.091 . 0 0 "[ . 1 . 2]" 2
591 1 23 LYS QG 1 27 ILE HG12 . . 4.530 3.595 3.198 4.040 . 0 0 "[ . 1 . 2]" 2
592 1 23 LYS QG 1 27 ILE HG13 . . 4.230 2.629 2.131 3.204 . 0 0 "[ . 1 . 2]" 2
593 1 23 LYS QG 1 27 ILE MD . . 3.410 2.054 1.802 2.284 . 0 0 "[ . 1 . 2]" 2
594 1 23 LYS QD 1 27 ILE MD . . 4.400 3.241 1.860 3.838 . 0 0 "[ . 1 . 2]" 2
595 1 23 LYS QE 1 27 ILE MD . . 3.720 2.770 1.925 3.736 0.016 9 0 "[ . 1 . 2]" 2
596 1 25 GLN H 1 25 GLN QG . . 3.150 2.487 2.230 2.730 . 0 0 "[ . 1 . 2]" 2
597 1 25 GLN HA 1 25 GLN QE . . 4.310 3.544 1.934 4.277 . 0 0 "[ . 1 . 2]" 2
598 1 25 GLN HB3 1 25 GLN QE . . 4.470 3.389 2.150 4.073 . 0 0 "[ . 1 . 2]" 2
599 1 25 GLN QG 1 26 LEU H . . 5.340 4.216 4.108 4.292 . 0 0 "[ . 1 . 2]" 2
600 1 26 LEU HG 1 30 GLN QE . . 4.380 2.526 1.886 4.004 . 0 0 "[ . 1 . 2]" 2
601 1 26 LEU MD1 1 30 GLN QE . . 4.160 2.564 1.895 3.482 . 0 0 "[ . 1 . 2]" 2
602 1 26 LEU MD2 1 30 GLN QE . . 4.280 2.559 2.060 3.653 . 0 0 "[ . 1 . 2]" 2
603 1 27 ILE HA 1 30 GLN QE . . 5.340 3.997 2.742 5.084 . 0 0 "[ . 1 . 2]" 2
604 1 29 HIS HA 1 32 ILE QG . . 4.490 3.645 3.442 4.000 . 0 0 "[ . 1 . 2]" 2
605 1 29 HIS HD2 1 30 GLN QE . . 5.340 4.647 4.083 5.050 . 0 0 "[ . 1 . 2]" 2
606 1 29 HIS HE1 1 32 ILE QG . . 4.500 3.226 2.449 3.917 . 0 0 "[ . 1 . 2]" 2
607 1 30 GLN H 1 31 GLY QA . . 5.180 4.738 4.646 4.796 . 0 0 "[ . 1 . 2]" 2
608 1 30 GLN QE 1 30 GLN HG2 . . 3.430 2.524 2.100 3.097 . 0 0 "[ . 1 . 2]" 2
609 1 31 GLY QA 1 32 ILE QG . . 4.500 4.391 4.272 4.500 0.000 9 0 "[ . 1 . 2]" 2
610 1 31 GLY QA 1 33 HIS H . . 4.400 3.476 3.365 3.622 . 0 0 "[ . 1 . 2]" 2
611 1 31 GLY QA 1 34 THR H . . 4.590 3.617 2.844 4.590 0.000 15 0 "[ . 1 . 2]" 2
612 1 31 GLY QA 1 34 THR MG . . 4.230 2.739 1.881 3.890 . 0 0 "[ . 1 . 2]" 2
613 1 32 ILE H 1 32 ILE QG . . 3.340 2.522 2.061 2.621 . 0 0 "[ . 1 . 2]" 2
614 1 32 ILE HA 1 32 ILE QG . . 3.650 3.358 3.290 3.418 . 0 0 "[ . 1 . 2]" 2
615 1 32 ILE QG 1 32 ILE MG . . 3.290 2.065 1.946 2.257 . 0 0 "[ . 1 . 2]" 2
616 1 38 GLY QA 1 39 PRO QD . . 3.110 1.987 1.918 2.178 . 0 0 "[ . 1 . 2]" 2
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