NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
508209 |
2eom   |
10189 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2eom
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 138
_Distance_constraint_stats_list.Viol_total 11.726
_Distance_constraint_stats_list.Viol_max 0.013
_Distance_constraint_stats_list.Viol_rms 0.0030
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0024
_Distance_constraint_stats_list.Viol_average_violations_only 0.0042
_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 15 CYS 0.069 0.007 8 0 "[ . 1 . 2]"
1 18 CYS 0.333 0.013 16 0 "[ . 1 . 2]"
1 31 HIS 0.299 0.013 17 0 "[ . 1 . 2]"
1 35 HIS 0.205 0.013 17 0 "[ . 1 . 2]"
2 1 ZN 0.267 0.013 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 15 CYS SG 2 1 ZN ZN . 2.190 2.390 2.391 2.387 2.396 0.006 8 0 "[ . 1 . 2]" 1
2 1 15 CYS CB 2 1 ZN ZN . 3.250 3.510 3.262 3.243 3.339 0.007 8 0 "[ . 1 . 2]" 1
3 1 18 CYS SG 2 1 ZN ZN . 2.190 2.390 2.192 2.179 2.225 0.011 16 0 "[ . 1 . 2]" 1
4 1 18 CYS CB 2 1 ZN ZN . 3.250 3.510 3.513 3.500 3.523 0.013 16 0 "[ . 1 . 2]" 1
5 1 31 HIS NE2 2 1 ZN ZN . . 2.100 2.103 2.098 2.106 0.006 16 0 "[ . 1 . 2]" 1
6 1 35 HIS NE2 2 1 ZN ZN . . 2.100 2.007 1.974 2.086 . 0 0 "[ . 1 . 2]" 1
7 1 15 CYS SG 1 18 CYS SG . 3.560 3.960 3.615 3.556 3.759 0.004 16 0 "[ . 1 . 2]" 1
8 1 15 CYS SG 1 31 HIS NE2 . 3.320 3.720 3.356 3.317 3.509 0.003 16 0 "[ . 1 . 2]" 1
9 1 15 CYS SG 1 35 HIS NE2 . 3.320 3.720 3.433 3.320 3.661 . 6 0 "[ . 1 . 2]" 1
10 1 18 CYS SG 1 31 HIS NE2 . 3.320 3.720 3.315 3.310 3.319 0.010 15 0 "[ . 1 . 2]" 1
11 1 18 CYS SG 1 35 HIS NE2 . 3.320 3.720 3.724 3.719 3.727 0.007 20 0 "[ . 1 . 2]" 1
12 1 31 HIS NE2 1 35 HIS NE2 . 3.000 3.600 3.607 3.600 3.613 0.013 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 600
_Distance_constraint_stats_list.Viol_count 570
_Distance_constraint_stats_list.Viol_total 670.659
_Distance_constraint_stats_list.Viol_max 0.354
_Distance_constraint_stats_list.Viol_rms 0.0231
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0028
_Distance_constraint_stats_list.Viol_average_violations_only 0.0588
_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 9 GLY 0.021 0.021 4 0 "[ . 1 . 2]"
1 10 GLU 0.021 0.021 4 0 "[ . 1 . 2]"
1 11 ARG 0.072 0.072 3 0 "[ . 1 . 2]"
1 12 GLY 0.007 0.007 8 0 "[ . 1 . 2]"
1 13 HIS 0.058 0.018 16 0 "[ . 1 . 2]"
1 14 ARG 0.121 0.039 16 0 "[ . 1 . 2]"
1 15 CYS 0.170 0.033 17 0 "[ . 1 . 2]"
1 16 SER 0.038 0.013 6 0 "[ . 1 . 2]"
1 17 ASP 0.110 0.016 18 0 "[ . 1 . 2]"
1 18 CYS 0.028 0.012 3 0 "[ . 1 . 2]"
1 19 GLY 0.288 0.039 16 0 "[ . 1 . 2]"
1 20 LYS 0.743 0.045 9 0 "[ . 1 . 2]"
1 21 PHE 0.669 0.036 18 0 "[ . 1 . 2]"
1 22 PHE 1.313 0.045 9 0 "[ . 1 . 2]"
1 23 LEU 0.083 0.014 18 0 "[ . 1 . 2]"
1 24 GLN 0.078 0.016 17 0 "[ . 1 . 2]"
1 25 ALA 0.071 0.017 16 0 "[ . 1 . 2]"
1 26 SER 0.013 0.007 12 0 "[ . 1 . 2]"
1 27 ASN 0.147 0.016 17 0 "[ . 1 . 2]"
1 28 PHE 0.479 0.024 7 0 "[ . 1 . 2]"
1 29 ILE 2.271 0.099 8 0 "[ . 1 . 2]"
1 30 GLN 10.399 0.289 18 0 "[ . 1 . 2]"
1 31 HIS 3.677 0.131 9 0 "[ . 1 . 2]"
1 32 ARG 2.947 0.099 8 0 "[ . 1 . 2]"
1 33 ARG 22.953 0.354 19 0 "[ . 1 . 2]"
1 34 ILE 14.611 0.354 19 0 "[ . 1 . 2]"
1 35 HIS 0.859 0.067 10 0 "[ . 1 . 2]"
1 36 THR 2.199 0.182 12 0 "[ . 1 . 2]"
1 37 GLY 0.263 0.125 15 0 "[ . 1 . 2]"
1 38 GLU 0.048 0.023 15 0 "[ . 1 . 2]"
1 39 LYS 0.040 0.023 15 0 "[ . 1 . 2]"
1 40 PRO 0.052 0.043 2 0 "[ . 1 . 2]"
1 42 GLY 0.024 0.007 19 0 "[ . 1 . 2]"
1 43 PRO 0.076 0.043 2 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 22 PHE QD 1 28 PHE H . . 4.060 4.052 3.990 4.081 0.021 2 0 "[ . 1 . 2]" 2
2 1 26 SER HA 1 28 PHE H . . 4.600 4.168 4.079 4.286 . 0 0 "[ . 1 . 2]" 2
3 1 22 PHE HB2 1 28 PHE H . . 4.310 4.257 4.140 4.319 0.009 8 0 "[ . 1 . 2]" 2
4 1 13 HIS HB2 1 28 PHE H . . 4.940 4.800 4.599 4.905 . 0 0 "[ . 1 . 2]" 2
5 1 24 GLN HB2 1 28 PHE H . . 5.230 4.295 4.247 4.367 . 0 0 "[ . 1 . 2]" 2
6 1 28 PHE H 1 29 ILE HG12 . . 5.490 5.477 5.397 5.500 0.010 2 0 "[ . 1 . 2]" 2
7 1 15 CYS H 1 19 GLY H . . 4.500 4.235 4.081 4.296 . 0 0 "[ . 1 . 2]" 2
8 1 28 PHE H 1 29 ILE H . . 3.290 2.457 2.411 2.500 . 0 0 "[ . 1 . 2]" 2
9 1 27 ASN H 1 28 PHE H . . 3.340 2.721 2.624 2.760 . 0 0 "[ . 1 . 2]" 2
10 1 25 ALA HA 1 28 PHE H . . 3.720 3.404 3.331 3.456 . 0 0 "[ . 1 . 2]" 2
11 1 27 ASN HB2 1 28 PHE H . . 3.380 2.829 2.741 3.050 . 0 0 "[ . 1 . 2]" 2
12 1 28 PHE H 1 28 PHE HB3 . . 3.060 2.319 2.292 2.343 . 0 0 "[ . 1 . 2]" 2
13 1 28 PHE H 1 28 PHE HB2 . . 3.130 2.823 2.783 2.862 . 0 0 "[ . 1 . 2]" 2
14 1 28 PHE H 1 29 ILE HB . . 4.790 4.757 4.691 4.801 0.011 8 0 "[ . 1 . 2]" 2
15 1 28 PHE H 1 29 ILE HG13 . . 4.540 3.920 3.861 4.008 . 0 0 "[ . 1 . 2]" 2
16 1 28 PHE H 1 29 ILE MD . . 5.120 4.964 4.773 5.124 0.004 18 0 "[ . 1 . 2]" 2
17 1 18 CYS H 1 19 GLY H . . 2.740 2.157 2.105 2.234 . 0 0 "[ . 1 . 2]" 2
18 1 17 ASP HA 1 19 GLY H . . 5.380 5.296 5.226 5.330 . 0 0 "[ . 1 . 2]" 2
19 1 26 SER QB 1 28 PHE H . . 5.080 4.694 4.331 4.852 . 0 0 "[ . 1 . 2]" 2
20 1 19 GLY H 1 19 GLY HA2 . . 2.880 2.431 2.414 2.459 . 0 0 "[ . 1 . 2]" 2
21 1 15 CYS HB3 1 19 GLY H . . 3.660 2.428 2.097 2.568 . 0 0 "[ . 1 . 2]" 2
22 1 18 CYS HB3 1 19 GLY H . . 4.100 3.917 3.874 3.946 . 0 0 "[ . 1 . 2]" 2
23 1 24 GLN HB2 1 27 ASN HD22 . . 4.850 3.450 2.849 4.198 . 0 0 "[ . 1 . 2]" 2
24 1 24 GLN HB2 1 27 ASN HD21 . . 4.850 3.424 2.065 4.442 . 0 0 "[ . 1 . 2]" 2
25 1 19 GLY H 1 20 LYS HB2 . . 4.370 3.897 3.817 3.951 . 0 0 "[ . 1 . 2]" 2
26 1 25 ALA MB 1 28 PHE H . . 4.520 4.379 4.321 4.420 . 0 0 "[ . 1 . 2]" 2
27 1 21 PHE H 1 22 PHE H . . 4.530 4.414 4.401 4.435 . 0 0 "[ . 1 . 2]" 2
28 1 15 CYS H 1 22 PHE H . . 5.350 5.212 5.129 5.347 . 0 0 "[ . 1 . 2]" 2
29 1 22 PHE H 1 22 PHE QD . . 3.410 2.616 2.557 2.699 . 0 0 "[ . 1 . 2]" 2
30 1 21 PHE QD 1 22 PHE H . . 3.960 3.121 3.095 3.148 . 0 0 "[ . 1 . 2]" 2
31 1 21 PHE HA 1 22 PHE H . . 2.990 2.290 2.283 2.295 . 0 0 "[ . 1 . 2]" 2
32 1 21 PHE HB3 1 22 PHE H . . 3.710 3.733 3.721 3.746 0.036 18 0 "[ . 1 . 2]" 2
33 1 22 PHE H 1 22 PHE HB2 . . 3.590 2.896 2.858 2.915 . 0 0 "[ . 1 . 2]" 2
34 1 13 HIS HB3 1 22 PHE H . . 5.500 5.253 5.081 5.340 . 0 0 "[ . 1 . 2]" 2
35 1 20 LYS HB3 1 22 PHE H . . 5.500 5.535 5.529 5.545 0.045 9 0 "[ . 1 . 2]" 2
36 1 13 HIS HB2 1 22 PHE H . . 4.460 4.138 3.981 4.234 . 0 0 "[ . 1 . 2]" 2
37 1 15 CYS HB3 1 17 ASP H . . 4.630 4.313 4.106 4.444 . 0 0 "[ . 1 . 2]" 2
38 1 19 GLY H 1 20 LYS H . . 3.610 2.098 1.984 2.263 . 0 0 "[ . 1 . 2]" 2
39 1 20 LYS H 1 20 LYS HB2 . . 3.100 2.224 2.173 2.296 . 0 0 "[ . 1 . 2]" 2
40 1 20 LYS H 1 20 LYS HB3 . . 3.630 3.491 3.477 3.514 . 0 0 "[ . 1 . 2]" 2
41 1 17 ASP H 1 17 ASP HB2 . . 3.700 2.309 2.193 2.636 . 0 0 "[ . 1 . 2]" 2
42 1 17 ASP H 1 17 ASP HB3 . . 3.700 3.449 2.874 3.590 . 0 0 "[ . 1 . 2]" 2
43 1 20 LYS H 1 21 PHE H . . 4.620 4.485 4.448 4.584 . 0 0 "[ . 1 . 2]" 2
44 1 21 PHE H 1 21 PHE QD . . 4.570 4.394 4.374 4.404 . 0 0 "[ . 1 . 2]" 2
45 1 20 LYS HA 1 21 PHE H . . 2.700 2.624 2.568 2.652 . 0 0 "[ . 1 . 2]" 2
46 1 20 LYS HE2 1 21 PHE H . . 5.500 4.360 3.274 5.496 . 0 0 "[ . 1 . 2]" 2
47 1 20 LYS HE3 1 21 PHE H . . 5.500 4.347 3.294 5.481 . 0 0 "[ . 1 . 2]" 2
48 1 21 PHE H 1 21 PHE HB3 . . 2.840 2.839 2.801 2.856 0.016 5 0 "[ . 1 . 2]" 2
49 1 20 LYS HB2 1 21 PHE H . . 3.830 3.531 3.472 3.624 . 0 0 "[ . 1 . 2]" 2
50 1 20 LYS HB3 1 21 PHE H . . 3.450 2.018 1.954 2.135 . 0 0 "[ . 1 . 2]" 2
51 1 20 LYS HG3 1 21 PHE H . . 4.430 4.351 4.271 4.441 0.011 9 0 "[ . 1 . 2]" 2
52 1 10 GLU H 1 10 GLU QG . . 4.910 2.976 1.886 4.401 . 0 0 "[ . 1 . 2]" 2
53 1 36 THR H 1 37 GLY H . . 4.390 3.758 2.541 4.515 0.125 15 0 "[ . 1 . 2]" 2
54 1 38 GLU H 1 38 GLU QG . . 4.190 3.588 2.104 4.154 . 0 0 "[ . 1 . 2]" 2
55 1 38 GLU H 1 38 GLU HB3 . . 4.080 3.037 2.373 4.001 . 0 0 "[ . 1 . 2]" 2
56 1 35 HIS HB3 1 36 THR H . . 4.180 3.998 3.749 4.173 . 0 0 "[ . 1 . 2]" 2
57 1 35 HIS H 1 36 THR H . . 3.410 2.450 2.321 2.558 . 0 0 "[ . 1 . 2]" 2
58 1 33 ARG HA 1 36 THR H . . 4.270 2.989 2.861 3.092 . 0 0 "[ . 1 . 2]" 2
59 1 35 HIS HB2 1 36 THR H . . 4.180 2.881 2.683 3.110 . 0 0 "[ . 1 . 2]" 2
60 1 36 THR H 1 36 THR MG . . 3.520 1.868 1.841 1.980 . 0 0 "[ . 1 . 2]" 2
61 1 34 ILE HA 1 36 THR H . . 4.570 4.260 4.031 4.469 . 0 0 "[ . 1 . 2]" 2
62 1 15 CYS H 1 20 LYS H . . 4.260 3.010 2.707 3.457 . 0 0 "[ . 1 . 2]" 2
63 1 15 CYS H 1 28 PHE QE . . 4.150 3.274 3.042 3.447 . 0 0 "[ . 1 . 2]" 2
64 1 15 CYS H 1 22 PHE QE . . 4.170 3.551 3.431 3.716 . 0 0 "[ . 1 . 2]" 2
65 1 15 CYS H 1 21 PHE HA . . 3.960 3.468 3.365 3.619 . 0 0 "[ . 1 . 2]" 2
66 1 15 CYS H 1 15 CYS HB3 . . 3.290 2.454 2.355 2.646 . 0 0 "[ . 1 . 2]" 2
67 1 15 CYS H 1 15 CYS HB2 . . 3.270 2.735 2.490 2.844 . 0 0 "[ . 1 . 2]" 2
68 1 14 ARG HB3 1 15 CYS H . . 4.290 4.043 3.976 4.160 . 0 0 "[ . 1 . 2]" 2
69 1 14 ARG HB2 1 15 CYS H . . 4.290 4.029 3.958 4.097 . 0 0 "[ . 1 . 2]" 2
70 1 14 ARG HG2 1 15 CYS H . . 4.080 2.361 2.147 2.608 . 0 0 "[ . 1 . 2]" 2
71 1 14 ARG HG3 1 15 CYS H . . 4.080 3.175 2.903 3.282 . 0 0 "[ . 1 . 2]" 2
72 1 27 ASN H 1 29 ILE H . . 4.720 4.130 4.088 4.175 . 0 0 "[ . 1 . 2]" 2
73 1 15 CYS H 1 21 PHE H . . 4.830 4.624 4.492 4.706 . 0 0 "[ . 1 . 2]" 2
74 1 22 PHE QD 1 27 ASN H . . 5.330 5.247 5.100 5.340 0.010 18 0 "[ . 1 . 2]" 2
75 1 15 CYS H 1 31 HIS HD2 . . 5.500 4.937 4.736 5.122 . 0 0 "[ . 1 . 2]" 2
76 1 15 CYS H 1 16 SER HA . . 5.500 5.307 5.247 5.446 . 0 0 "[ . 1 . 2]" 2
77 1 15 CYS H 1 19 GLY HA3 . . 5.500 5.413 5.092 5.504 0.004 10 0 "[ . 1 . 2]" 2
78 1 27 ASN H 1 27 ASN HB2 . . 3.410 2.536 2.261 2.621 . 0 0 "[ . 1 . 2]" 2
79 1 27 ASN H 1 28 PHE HB2 . . 5.400 5.357 5.236 5.407 0.007 16 0 "[ . 1 . 2]" 2
80 1 27 ASN H 1 30 GLN HG3 . . 5.410 4.592 4.425 5.033 . 0 0 "[ . 1 . 2]" 2
81 1 24 GLN HB3 1 27 ASN H . . 3.820 3.259 3.124 3.443 . 0 0 "[ . 1 . 2]" 2
82 1 29 ILE H 1 30 GLN H . . 3.410 2.623 2.586 2.746 . 0 0 "[ . 1 . 2]" 2
83 1 26 SER QB 1 29 ILE H . . 4.870 4.694 4.581 4.815 . 0 0 "[ . 1 . 2]" 2
84 1 26 SER QB 1 27 ASN H . . 4.020 2.863 2.133 3.132 . 0 0 "[ . 1 . 2]" 2
85 1 28 PHE HB3 1 29 ILE H . . 3.400 2.895 2.829 2.938 . 0 0 "[ . 1 . 2]" 2
86 1 28 PHE HB2 1 29 ILE H . . 4.120 4.124 4.081 4.144 0.024 7 0 "[ . 1 . 2]" 2
87 1 29 ILE H 1 29 ILE HB . . 3.000 2.538 2.512 2.580 . 0 0 "[ . 1 . 2]" 2
88 1 29 ILE H 1 29 ILE HG13 . . 3.240 2.140 2.050 2.195 . 0 0 "[ . 1 . 2]" 2
89 1 29 ILE H 1 29 ILE HG12 . . 3.450 3.415 3.304 3.468 0.018 17 0 "[ . 1 . 2]" 2
90 1 28 PHE QD 1 29 ILE H . . 4.020 3.336 3.145 3.419 . 0 0 "[ . 1 . 2]" 2
91 1 26 SER HA 1 29 ILE H . . 3.950 3.323 3.251 3.419 . 0 0 "[ . 1 . 2]" 2
92 1 29 ILE H 1 30 GLN QB . . 4.780 4.791 4.769 4.807 0.027 5 0 "[ . 1 . 2]" 2
93 1 13 HIS H 1 22 PHE H . . 3.640 2.588 2.472 2.678 . 0 0 "[ . 1 . 2]" 2
94 1 13 HIS H 1 21 PHE QE . . 4.280 3.951 3.735 4.220 . 0 0 "[ . 1 . 2]" 2
95 1 13 HIS H 1 21 PHE QD . . 4.750 4.328 4.142 4.553 . 0 0 "[ . 1 . 2]" 2
96 1 13 HIS H 1 28 PHE QD . . 5.170 4.485 4.258 4.659 . 0 0 "[ . 1 . 2]" 2
97 1 12 GLY HA3 1 13 HIS H . . 3.050 2.320 2.188 2.448 . 0 0 "[ . 1 . 2]" 2
98 1 12 GLY HA2 1 13 HIS H . . 3.170 2.849 2.683 3.054 . 0 0 "[ . 1 . 2]" 2
99 1 13 HIS H 1 13 HIS HB2 . . 3.380 2.871 2.694 2.952 . 0 0 "[ . 1 . 2]" 2
100 1 13 HIS H 1 13 HIS HB3 . . 3.940 3.908 3.811 3.948 0.008 8 0 "[ . 1 . 2]" 2
101 1 13 HIS H 1 13 HIS HD2 . . 3.890 3.336 3.029 3.630 . 0 0 "[ . 1 . 2]" 2
102 1 13 HIS H 1 21 PHE HA . . 4.660 4.414 4.299 4.559 . 0 0 "[ . 1 . 2]" 2
103 1 13 HIS H 1 22 PHE HA . . 5.050 4.532 4.344 4.630 . 0 0 "[ . 1 . 2]" 2
104 1 13 HIS H 1 28 PHE HB2 . . 4.680 4.471 4.221 4.690 0.010 16 0 "[ . 1 . 2]" 2
105 1 13 HIS H 1 22 PHE HB2 . . 4.380 3.276 3.015 3.501 . 0 0 "[ . 1 . 2]" 2
106 1 31 HIS H 1 32 ARG HG3 . . 5.490 4.910 4.796 5.077 . 0 0 "[ . 1 . 2]" 2
107 1 29 ILE H 1 31 HIS H . . 4.860 3.735 3.718 3.768 . 0 0 "[ . 1 . 2]" 2
108 1 31 HIS H 1 32 ARG H . . 3.390 2.187 2.161 2.271 . 0 0 "[ . 1 . 2]" 2
109 1 30 GLN H 1 31 HIS H . . 3.300 2.682 2.674 2.711 . 0 0 "[ . 1 . 2]" 2
110 1 31 HIS H 1 33 ARG H . . 4.540 3.610 3.580 3.654 . 0 0 "[ . 1 . 2]" 2
111 1 22 PHE QE 1 31 HIS H . . 5.130 5.034 4.909 5.118 . 0 0 "[ . 1 . 2]" 2
112 1 27 ASN HA 1 31 HIS H . . 4.880 4.863 4.808 4.893 0.013 9 0 "[ . 1 . 2]" 2
113 1 28 PHE HA 1 31 HIS H . . 4.050 3.769 3.720 3.800 . 0 0 "[ . 1 . 2]" 2
114 1 31 HIS H 1 31 HIS HB3 . . 3.000 2.292 2.270 2.305 . 0 0 "[ . 1 . 2]" 2
115 1 31 HIS H 1 31 HIS HB2 . . 3.290 3.130 3.069 3.150 . 0 0 "[ . 1 . 2]" 2
116 1 30 GLN HG2 1 31 HIS H . . 4.870 4.724 4.306 4.802 . 0 0 "[ . 1 . 2]" 2
117 1 30 GLN QB 1 31 HIS H . . 3.400 3.338 3.237 3.366 . 0 0 "[ . 1 . 2]" 2
118 1 29 ILE HB 1 31 HIS H . . 5.190 4.498 4.439 4.525 . 0 0 "[ . 1 . 2]" 2
119 1 31 HIS H 1 32 ARG HB2 . . 5.500 4.424 4.337 4.472 . 0 0 "[ . 1 . 2]" 2
120 1 26 SER HA 1 30 GLN H . . 4.270 4.017 3.867 4.175 . 0 0 "[ . 1 . 2]" 2
121 1 30 GLN H 1 30 GLN HG2 . . 3.590 2.540 1.882 2.670 . 0 0 "[ . 1 . 2]" 2
122 1 30 GLN H 1 30 GLN QB . . 2.940 2.639 2.596 2.673 . 0 0 "[ . 1 . 2]" 2
123 1 29 ILE HB 1 30 GLN H . . 3.400 2.404 2.276 2.455 . 0 0 "[ . 1 . 2]" 2
124 1 27 ASN HA 1 30 GLN H . . 3.900 3.707 3.633 3.805 . 0 0 "[ . 1 . 2]" 2
125 1 30 GLN H 1 31 HIS HB3 . . 4.780 4.578 4.559 4.664 . 0 0 "[ . 1 . 2]" 2
126 1 30 GLN H 1 31 HIS HB2 . . 5.500 5.234 5.204 5.313 . 0 0 "[ . 1 . 2]" 2
127 1 29 ILE HG13 1 30 GLN H . . 4.330 4.107 4.047 4.144 . 0 0 "[ . 1 . 2]" 2
128 1 29 ILE HG12 1 30 GLN H . . 5.140 4.884 4.815 4.912 . 0 0 "[ . 1 . 2]" 2
129 1 12 GLY H 1 21 PHE HZ . . 4.850 4.009 2.669 4.805 . 0 0 "[ . 1 . 2]" 2
130 1 11 ARG HA 1 12 GLY H . . 3.260 2.339 2.144 2.796 . 0 0 "[ . 1 . 2]" 2
131 1 11 ARG HB3 1 12 GLY H . . 4.850 4.025 2.078 4.635 . 0 0 "[ . 1 . 2]" 2
132 1 35 HIS H 1 35 HIS HD2 . . 4.070 2.903 2.417 3.137 . 0 0 "[ . 1 . 2]" 2
133 1 32 ARG HA 1 35 HIS H . . 4.330 3.826 3.749 3.945 . 0 0 "[ . 1 . 2]" 2
134 1 35 HIS H 1 35 HIS HB3 . . 3.660 3.611 3.597 3.637 . 0 0 "[ . 1 . 2]" 2
135 1 35 HIS H 1 35 HIS HB2 . . 3.660 2.627 2.479 2.689 . 0 0 "[ . 1 . 2]" 2
136 1 35 HIS H 1 36 THR HA . . 5.080 5.075 4.970 5.147 0.067 10 0 "[ . 1 . 2]" 2
137 1 33 ARG HA 1 35 HIS H . . 4.510 3.940 3.757 4.147 . 0 0 "[ . 1 . 2]" 2
138 1 34 ILE MG 1 35 HIS H . . 4.150 3.591 3.530 3.649 . 0 0 "[ . 1 . 2]" 2
139 1 34 ILE H 1 35 HIS H . . 3.380 2.909 2.824 2.974 . 0 0 "[ . 1 . 2]" 2
140 1 33 ARG HB2 1 34 ILE H . . 3.990 2.716 2.616 2.816 . 0 0 "[ . 1 . 2]" 2
141 1 33 ARG HG2 1 34 ILE H . . 4.380 3.908 3.863 3.934 . 0 0 "[ . 1 . 2]" 2
142 1 32 ARG HA 1 34 ILE H . . 4.450 4.354 4.236 4.466 0.016 11 0 "[ . 1 . 2]" 2
143 1 34 ILE H 1 34 ILE HG12 . . 3.870 2.834 2.803 2.886 . 0 0 "[ . 1 . 2]" 2
144 1 33 ARG H 1 36 THR MG . . 4.550 4.061 3.956 4.261 . 0 0 "[ . 1 . 2]" 2
145 1 32 ARG H 1 33 ARG H . . 3.430 2.586 2.551 2.635 . 0 0 "[ . 1 . 2]" 2
146 1 33 ARG H 1 34 ILE H . . 3.290 2.513 2.470 2.559 . 0 0 "[ . 1 . 2]" 2
147 1 30 GLN HA 1 33 ARG H . . 4.070 3.842 3.777 3.928 . 0 0 "[ . 1 . 2]" 2
148 1 33 ARG H 1 33 ARG HG2 . . 2.810 1.869 1.862 1.877 . 0 0 "[ . 1 . 2]" 2
149 1 33 ARG H 1 33 ARG HG3 . . 3.340 2.218 2.171 2.285 . 0 0 "[ . 1 . 2]" 2
150 1 24 GLN H 1 27 ASN H . . 4.680 4.617 4.498 4.690 0.010 10 0 "[ . 1 . 2]" 2
151 1 23 LEU H 1 24 GLN H . . 4.550 1.912 1.823 1.966 . 0 0 "[ . 1 . 2]" 2
152 1 13 HIS HD2 1 24 GLN H . . 4.890 4.699 3.877 4.892 0.002 4 0 "[ . 1 . 2]" 2
153 1 22 PHE HA 1 24 GLN H . . 4.400 4.316 4.089 4.389 . 0 0 "[ . 1 . 2]" 2
154 1 22 PHE HB3 1 24 GLN H . . 3.820 3.114 2.936 3.224 . 0 0 "[ . 1 . 2]" 2
155 1 24 GLN H 1 27 ASN HB2 . . 4.080 3.178 3.046 3.273 . 0 0 "[ . 1 . 2]" 2
156 1 22 PHE HB2 1 24 GLN H . . 4.400 4.309 4.155 4.406 0.006 2 0 "[ . 1 . 2]" 2
157 1 24 GLN H 1 24 GLN QG . . 3.380 2.470 2.365 2.589 . 0 0 "[ . 1 . 2]" 2
158 1 24 GLN H 1 24 GLN HB2 . . 3.280 2.590 2.511 2.681 . 0 0 "[ . 1 . 2]" 2
159 1 23 LEU HB3 1 24 GLN H . . 4.140 3.610 3.531 3.795 . 0 0 "[ . 1 . 2]" 2
160 1 23 LEU MD2 1 24 GLN H . . 4.260 3.772 3.713 3.835 . 0 0 "[ . 1 . 2]" 2
161 1 30 GLN H 1 32 ARG H . . 4.960 4.414 4.387 4.458 . 0 0 "[ . 1 . 2]" 2
162 1 32 ARG H 1 32 ARG HD2 . . 4.400 4.086 3.953 4.219 . 0 0 "[ . 1 . 2]" 2
163 1 31 HIS HB3 1 32 ARG H . . 3.750 2.867 2.809 2.912 . 0 0 "[ . 1 . 2]" 2
164 1 31 HIS HB2 1 32 ARG H . . 4.120 4.125 4.090 4.153 0.033 2 0 "[ . 1 . 2]" 2
165 1 32 ARG H 1 32 ARG HG3 . . 3.640 3.285 3.227 3.410 . 0 0 "[ . 1 . 2]" 2
166 1 31 HIS HD2 1 32 ARG H . . 4.320 3.525 3.439 3.625 . 0 0 "[ . 1 . 2]" 2
167 1 14 ARG H 1 21 PHE QE . . 4.640 4.390 4.092 4.553 . 0 0 "[ . 1 . 2]" 2
168 1 13 HIS HA 1 14 ARG H . . 2.960 2.149 2.141 2.166 . 0 0 "[ . 1 . 2]" 2
169 1 14 ARG H 1 14 ARG HB3 . . 3.540 2.442 2.378 2.482 . 0 0 "[ . 1 . 2]" 2
170 1 14 ARG H 1 14 ARG HB2 . . 3.540 2.857 2.753 2.938 . 0 0 "[ . 1 . 2]" 2
171 1 14 ARG H 1 14 ARG HG2 . . 4.780 4.355 4.313 4.398 . 0 0 "[ . 1 . 2]" 2
172 1 14 ARG H 1 14 ARG HG3 . . 4.780 4.678 4.614 4.721 . 0 0 "[ . 1 . 2]" 2
173 1 14 ARG H 1 15 CYS H . . 4.690 4.547 4.508 4.570 . 0 0 "[ . 1 . 2]" 2
174 1 13 HIS H 1 14 ARG H . . 4.070 3.976 3.845 4.071 0.001 13 0 "[ . 1 . 2]" 2
175 1 14 ARG H 1 21 PHE QD . . 4.860 4.200 3.937 4.328 . 0 0 "[ . 1 . 2]" 2
176 1 14 ARG H 1 28 PHE QD . . 5.390 4.681 4.566 4.821 . 0 0 "[ . 1 . 2]" 2
177 1 13 HIS HB2 1 14 ARG H . . 4.440 4.347 4.278 4.399 . 0 0 "[ . 1 . 2]" 2
178 1 17 ASP H 1 18 CYS H . . 3.140 2.794 2.694 2.905 . 0 0 "[ . 1 . 2]" 2
179 1 18 CYS H 1 19 GLY HA2 . . 4.610 4.308 4.241 4.401 . 0 0 "[ . 1 . 2]" 2
180 1 15 CYS HB2 1 18 CYS H . . 4.580 4.533 4.457 4.585 0.005 7 0 "[ . 1 . 2]" 2
181 1 18 CYS H 1 18 CYS HB3 . . 3.700 3.043 2.983 3.093 . 0 0 "[ . 1 . 2]" 2
182 1 17 ASP HB3 1 18 CYS H . . 3.630 3.106 2.279 3.585 . 0 0 "[ . 1 . 2]" 2
183 1 17 ASP HB2 1 18 CYS H . . 3.630 2.672 2.372 3.528 . 0 0 "[ . 1 . 2]" 2
184 1 15 CYS HB3 1 18 CYS H . . 3.800 3.432 3.142 3.653 . 0 0 "[ . 1 . 2]" 2
185 1 38 GLU H 1 39 LYS H . . 4.860 4.270 3.001 4.612 . 0 0 "[ . 1 . 2]" 2
186 1 38 GLU HA 1 39 LYS H . . 3.100 2.322 2.143 2.742 . 0 0 "[ . 1 . 2]" 2
187 1 39 LYS H 1 39 LYS QG . . 4.410 3.067 1.887 4.178 . 0 0 "[ . 1 . 2]" 2
188 1 15 CYS HB2 1 19 GLY H . . 4.160 4.095 3.842 4.193 0.033 17 0 "[ . 1 . 2]" 2
189 1 17 ASP H 1 19 GLY H . . 4.080 4.077 4.013 4.096 0.016 18 0 "[ . 1 . 2]" 2
190 1 24 GLN HB2 1 27 ASN H . . 3.700 2.752 2.650 2.893 . 0 0 "[ . 1 . 2]" 2
191 1 28 PHE H 1 28 PHE QD . . 4.220 4.081 4.046 4.112 . 0 0 "[ . 1 . 2]" 2
192 1 34 ILE H 1 34 ILE HG13 . . 3.870 3.900 3.875 3.946 0.076 20 0 "[ . 1 . 2]" 2
193 1 34 ILE H 1 34 ILE MD . . 3.930 3.915 3.882 3.936 0.006 16 0 "[ . 1 . 2]" 2
194 1 38 GLU H 1 38 GLU HB2 . . 4.080 2.684 2.182 3.606 . 0 0 "[ . 1 . 2]" 2
195 1 27 ASN H 1 27 ASN HB3 . . 3.660 3.584 3.537 3.591 . 0 0 "[ . 1 . 2]" 2
196 1 18 CYS H 1 18 CYS HB2 . . 3.720 3.682 3.656 3.714 . 0 0 "[ . 1 . 2]" 2
197 1 33 ARG H 1 33 ARG QD . . 4.120 3.694 3.679 3.757 . 0 0 "[ . 1 . 2]" 2
198 1 30 GLN HA 1 33 ARG QD . . 3.460 1.985 1.919 2.019 . 0 0 "[ . 1 . 2]" 2
199 1 29 ILE MG 1 33 ARG QD . . 5.000 2.844 2.733 2.989 . 0 0 "[ . 1 . 2]" 2
200 1 23 LEU HB2 1 24 GLN H . . 4.140 2.763 2.673 2.952 . 0 0 "[ . 1 . 2]" 2
201 1 14 ARG HB3 1 14 ARG HD3 . . 3.970 3.061 2.088 3.636 . 0 0 "[ . 1 . 2]" 2
202 1 14 ARG HB2 1 14 ARG HD3 . . 3.970 3.287 2.675 3.931 . 0 0 "[ . 1 . 2]" 2
203 1 22 PHE H 1 22 PHE HB3 . . 4.050 3.922 3.903 3.931 . 0 0 "[ . 1 . 2]" 2
204 1 22 PHE HB3 1 28 PHE QD . . 4.540 4.248 4.141 4.417 . 0 0 "[ . 1 . 2]" 2
205 1 22 PHE HB3 1 28 PHE HB2 . . 3.810 3.012 2.928 3.145 . 0 0 "[ . 1 . 2]" 2
206 1 13 HIS HB2 1 22 PHE HB3 . . 4.370 4.184 3.866 4.310 . 0 0 "[ . 1 . 2]" 2
207 1 13 HIS HB3 1 22 PHE HB2 . . 4.360 4.253 3.972 4.361 0.001 2 0 "[ . 1 . 2]" 2
208 1 25 ALA MB 1 29 ILE H . . 4.560 4.488 4.360 4.564 0.004 9 0 "[ . 1 . 2]" 2
209 1 22 PHE HB3 1 28 PHE H . . 4.400 3.892 3.840 3.943 . 0 0 "[ . 1 . 2]" 2
210 1 25 ALA MB 1 28 PHE QD . . 4.530 4.233 4.051 4.360 . 0 0 "[ . 1 . 2]" 2
211 1 22 PHE HB2 1 28 PHE QD . . 4.010 2.819 2.711 3.060 . 0 0 "[ . 1 . 2]" 2
212 1 13 HIS HD2 1 25 ALA MB . . 4.560 3.918 3.626 4.199 . 0 0 "[ . 1 . 2]" 2
213 1 21 PHE HA 1 22 PHE HB2 . . 4.680 4.503 4.466 4.527 . 0 0 "[ . 1 . 2]" 2
214 1 13 HIS HA 1 22 PHE HB2 . . 5.230 5.041 4.812 5.193 . 0 0 "[ . 1 . 2]" 2
215 1 22 PHE HB2 1 23 LEU HA . . 5.500 4.639 4.569 4.738 . 0 0 "[ . 1 . 2]" 2
216 1 25 ALA MB 1 26 SER HA . . 4.270 3.661 3.547 3.723 . 0 0 "[ . 1 . 2]" 2
217 1 25 ALA MB 1 26 SER QB . . 4.260 4.011 3.744 4.264 0.004 16 0 "[ . 1 . 2]" 2
218 1 25 ALA MB 1 28 PHE HB3 . . 4.230 3.855 3.750 3.919 . 0 0 "[ . 1 . 2]" 2
219 1 25 ALA MB 1 28 PHE HB2 . . 5.330 5.027 4.917 5.097 . 0 0 "[ . 1 . 2]" 2
220 1 13 HIS HB2 1 22 PHE HB2 . . 4.000 2.664 2.373 2.779 . 0 0 "[ . 1 . 2]" 2
221 1 25 ALA MB 1 29 ILE MD . . 3.370 2.893 2.580 3.137 . 0 0 "[ . 1 . 2]" 2
222 1 21 PHE HB2 1 22 PHE H . . 4.200 4.008 3.989 4.028 . 0 0 "[ . 1 . 2]" 2
223 1 21 PHE H 1 21 PHE HB2 . . 3.280 3.145 3.076 3.198 . 0 0 "[ . 1 . 2]" 2
224 1 20 LYS HA 1 21 PHE HB3 . . 4.810 4.717 4.679 4.747 . 0 0 "[ . 1 . 2]" 2
225 1 20 LYS HA 1 21 PHE HB2 . . 4.280 4.193 4.185 4.209 . 0 0 "[ . 1 . 2]" 2
226 1 32 ARG H 1 32 ARG HD3 . . 4.600 4.558 4.499 4.619 0.019 16 0 "[ . 1 . 2]" 2
227 1 28 PHE HZ 1 32 ARG HD2 . . 4.410 4.136 3.998 4.335 . 0 0 "[ . 1 . 2]" 2
228 1 28 PHE HZ 1 32 ARG HD3 . . 4.160 2.427 2.289 2.587 . 0 0 "[ . 1 . 2]" 2
229 1 28 PHE QE 1 32 ARG HD3 . . 4.060 2.915 2.809 3.023 . 0 0 "[ . 1 . 2]" 2
230 1 32 ARG HD2 1 35 HIS HD2 . . 4.490 3.369 3.022 3.871 . 0 0 "[ . 1 . 2]" 2
231 1 31 HIS HD2 1 32 ARG HD3 . . 4.010 3.422 3.281 3.626 . 0 0 "[ . 1 . 2]" 2
232 1 32 ARG HA 1 32 ARG HD3 . . 4.080 3.950 3.810 4.051 . 0 0 "[ . 1 . 2]" 2
233 1 32 ARG HB2 1 32 ARG HD2 . . 4.090 3.746 3.641 3.812 . 0 0 "[ . 1 . 2]" 2
234 1 25 ALA MB 1 29 ILE MG . . 5.500 5.250 5.102 5.364 . 0 0 "[ . 1 . 2]" 2
235 1 29 ILE H 1 29 ILE MG . . 3.790 3.770 3.765 3.775 . 0 0 "[ . 1 . 2]" 2
236 1 29 ILE MG 1 31 HIS H . . 4.710 4.316 4.259 4.398 . 0 0 "[ . 1 . 2]" 2
237 1 29 ILE MG 1 30 GLN H . . 3.740 3.334 3.215 3.445 . 0 0 "[ . 1 . 2]" 2
238 1 28 PHE QD 1 29 ILE MG . . 4.560 4.526 4.472 4.572 0.012 20 0 "[ . 1 . 2]" 2
239 1 26 SER HA 1 29 ILE MG . . 4.430 4.152 4.058 4.291 . 0 0 "[ . 1 . 2]" 2
240 1 29 ILE MG 1 30 GLN HA . . 3.690 3.426 3.325 3.602 . 0 0 "[ . 1 . 2]" 2
241 1 18 CYS HB2 1 35 HIS HE1 . . 3.930 3.778 3.667 3.893 . 0 0 "[ . 1 . 2]" 2
242 1 18 CYS HB3 1 35 HIS HE1 . . 3.230 2.131 1.988 2.236 . 0 0 "[ . 1 . 2]" 2
243 1 29 ILE MG 1 30 GLN HG2 . . 4.480 3.640 3.518 3.752 . 0 0 "[ . 1 . 2]" 2
244 1 17 ASP HB3 1 35 HIS HE1 . . 4.470 3.155 2.526 3.793 . 0 0 "[ . 1 . 2]" 2
245 1 29 ILE HG13 1 29 ILE MG . . 3.390 3.198 3.190 3.203 . 0 0 "[ . 1 . 2]" 2
246 1 29 ILE HG12 1 29 ILE MG . . 3.110 2.337 2.256 2.422 . 0 0 "[ . 1 . 2]" 2
247 1 20 LYS HD2 1 31 HIS HE1 . . 4.360 2.781 2.036 3.162 . 0 0 "[ . 1 . 2]" 2
248 1 17 ASP HB2 1 35 HIS HE1 . . 4.470 3.559 2.887 4.484 0.014 15 0 "[ . 1 . 2]" 2
249 1 22 PHE QE 1 31 HIS HE1 . . 4.860 4.084 3.942 4.230 . 0 0 "[ . 1 . 2]" 2
250 1 31 HIS HE1 1 34 ILE MG . . 4.470 4.562 4.541 4.601 0.131 9 0 "[ . 1 . 2]" 2
251 1 34 ILE H 1 34 ILE MG . . 3.350 1.817 1.804 1.838 . 0 0 "[ . 1 . 2]" 2
252 1 31 HIS HD2 1 34 ILE MG . . 5.500 5.321 5.244 5.401 . 0 0 "[ . 1 . 2]" 2
253 1 34 ILE MG 1 35 HIS HD2 . . 5.500 4.609 4.030 4.868 . 0 0 "[ . 1 . 2]" 2
254 1 31 HIS HA 1 34 ILE MG . . 3.940 2.430 2.257 2.518 . 0 0 "[ . 1 . 2]" 2
255 1 34 ILE HA 1 34 ILE MG . . 3.120 2.506 2.486 2.518 . 0 0 "[ . 1 . 2]" 2
256 1 33 ARG HB2 1 34 ILE MG . . 4.550 3.425 3.360 3.475 . 0 0 "[ . 1 . 2]" 2
257 1 34 ILE HG12 1 34 ILE MG . . 3.340 2.285 2.274 2.301 . 0 0 "[ . 1 . 2]" 2
258 1 34 ILE HG13 1 34 ILE MG . . 3.340 3.189 3.188 3.191 . 0 0 "[ . 1 . 2]" 2
259 1 13 HIS HE1 1 25 ALA MB . . 4.080 3.697 2.798 4.088 0.008 15 0 "[ . 1 . 2]" 2
260 1 29 ILE HA 1 32 ARG H . . 4.080 3.306 3.291 3.328 . 0 0 "[ . 1 . 2]" 2
261 1 29 ILE HA 1 31 HIS H . . 4.400 3.542 3.508 3.597 . 0 0 "[ . 1 . 2]" 2
262 1 28 PHE QE 1 29 ILE HA . . 4.750 4.214 3.984 4.318 . 0 0 "[ . 1 . 2]" 2
263 1 29 ILE HA 1 32 ARG HA . . 5.500 5.578 5.552 5.599 0.099 8 0 "[ . 1 . 2]" 2
264 1 28 PHE HB3 1 29 ILE HA . . 4.540 4.527 4.480 4.545 0.005 18 0 "[ . 1 . 2]" 2
265 1 29 ILE HA 1 29 ILE HG13 . . 3.180 3.029 2.964 3.082 . 0 0 "[ . 1 . 2]" 2
266 1 29 ILE HA 1 29 ILE HG12 . . 3.310 2.563 2.495 2.649 . 0 0 "[ . 1 . 2]" 2
267 1 29 ILE HA 1 32 ARG HG3 . . 3.640 3.092 2.976 3.274 . 0 0 "[ . 1 . 2]" 2
268 1 29 ILE HA 1 29 ILE MG . . 2.950 2.387 2.277 2.449 . 0 0 "[ . 1 . 2]" 2
269 1 31 HIS HE1 1 34 ILE MD . . 3.450 2.867 2.782 2.930 . 0 0 "[ . 1 . 2]" 2
270 1 22 PHE QD 1 28 PHE HB3 . . 4.890 4.833 4.796 4.894 0.004 5 0 "[ . 1 . 2]" 2
271 1 31 HIS HA 1 34 ILE MD . . 4.030 3.903 3.761 3.962 . 0 0 "[ . 1 . 2]" 2
272 1 22 PHE HB2 1 28 PHE HB3 . . 4.310 3.810 3.723 3.963 . 0 0 "[ . 1 . 2]" 2
273 1 13 HIS HB2 1 28 PHE HB2 . . 4.160 2.244 2.063 2.410 . 0 0 "[ . 1 . 2]" 2
274 1 33 ARG HB2 1 34 ILE HA . . 4.510 3.794 3.765 3.826 . 0 0 "[ . 1 . 2]" 2
275 1 34 ILE HB 1 34 ILE MD . . 3.170 2.441 2.390 2.467 . 0 0 "[ . 1 . 2]" 2
276 1 13 HIS HB3 1 28 PHE HB3 . . 4.540 3.785 3.569 3.902 . 0 0 "[ . 1 . 2]" 2
277 1 13 HIS HB3 1 28 PHE HB2 . . 4.090 3.490 3.186 3.645 . 0 0 "[ . 1 . 2]" 2
278 1 34 ILE HA 1 34 ILE HG12 . . 3.920 3.787 3.778 3.795 . 0 0 "[ . 1 . 2]" 2
279 1 34 ILE HA 1 34 ILE HG13 . . 3.920 3.566 3.557 3.577 . 0 0 "[ . 1 . 2]" 2
280 1 34 ILE HA 1 34 ILE MD . . 4.240 4.156 4.151 4.159 . 0 0 "[ . 1 . 2]" 2
281 1 27 ASN HB3 1 28 PHE H . . 4.040 3.825 3.639 3.907 . 0 0 "[ . 1 . 2]" 2
282 1 22 PHE QD 1 27 ASN HB2 . . 3.770 3.028 2.812 3.294 . 0 0 "[ . 1 . 2]" 2
283 1 22 PHE QD 1 27 ASN HB3 . . 3.600 2.603 2.251 2.801 . 0 0 "[ . 1 . 2]" 2
284 1 22 PHE QE 1 27 ASN HB2 . . 5.160 4.934 4.686 5.168 0.008 19 0 "[ . 1 . 2]" 2
285 1 22 PHE QE 1 27 ASN HB3 . . 4.410 3.848 3.643 3.973 . 0 0 "[ . 1 . 2]" 2
286 1 24 GLN QG 1 27 ASN HB3 . . 5.050 4.972 4.861 5.060 0.010 18 0 "[ . 1 . 2]" 2
287 1 24 GLN HB2 1 27 ASN HB3 . . 4.050 3.902 3.768 4.000 . 0 0 "[ . 1 . 2]" 2
288 1 29 ILE HB 1 30 GLN HA . . 4.950 4.205 4.166 4.234 . 0 0 "[ . 1 . 2]" 2
289 1 28 PHE HB3 1 29 ILE HB . . 5.310 5.228 5.154 5.283 . 0 0 "[ . 1 . 2]" 2
290 1 34 ILE H 1 34 ILE HB . . 3.630 3.553 3.544 3.564 . 0 0 "[ . 1 . 2]" 2
291 1 34 ILE HB 1 35 HIS H . . 4.180 3.982 3.890 4.106 . 0 0 "[ . 1 . 2]" 2
292 1 28 PHE QE 1 29 ILE MD . . 5.390 5.360 5.247 5.399 0.009 11 0 "[ . 1 . 2]" 2
293 1 29 ILE H 1 29 ILE MD . . 3.730 3.575 3.436 3.654 . 0 0 "[ . 1 . 2]" 2
294 1 29 ILE MD 1 30 GLN H . . 4.430 4.404 4.309 4.468 0.038 11 0 "[ . 1 . 2]" 2
295 1 28 PHE QD 1 29 ILE MD . . 4.250 4.189 4.161 4.231 . 0 0 "[ . 1 . 2]" 2
296 1 26 SER QB 1 29 ILE MD . . 4.140 3.804 3.462 4.068 . 0 0 "[ . 1 . 2]" 2
297 1 25 ALA HA 1 29 ILE MD . . 4.690 4.433 4.247 4.642 . 0 0 "[ . 1 . 2]" 2
298 1 29 ILE HA 1 29 ILE MD . . 3.920 3.843 3.807 3.883 . 0 0 "[ . 1 . 2]" 2
299 1 29 ILE HB 1 29 ILE MD . . 3.150 2.412 2.341 2.476 . 0 0 "[ . 1 . 2]" 2
300 1 26 SER QB 1 29 ILE HG13 . . 4.930 4.857 4.786 4.937 0.007 12 0 "[ . 1 . 2]" 2
301 1 26 SER HA 1 26 SER QB . . 2.660 2.217 2.168 2.328 . 0 0 "[ . 1 . 2]" 2
302 1 26 SER HA 1 29 ILE HB . . 3.560 2.829 2.699 3.001 . 0 0 "[ . 1 . 2]" 2
303 1 26 SER QB 1 29 ILE HB . . 4.570 4.345 4.249 4.573 0.003 11 0 "[ . 1 . 2]" 2
304 1 26 SER HA 1 29 ILE HG13 . . 4.470 3.076 2.977 3.143 . 0 0 "[ . 1 . 2]" 2
305 1 26 SER HA 1 30 GLN HG3 . . 4.840 4.000 3.739 4.707 . 0 0 "[ . 1 . 2]" 2
306 1 26 SER HA 1 29 ILE HG12 . . 4.670 4.502 4.422 4.612 . 0 0 "[ . 1 . 2]" 2
307 1 26 SER HA 1 29 ILE MD . . 3.500 2.413 1.995 2.647 . 0 0 "[ . 1 . 2]" 2
308 1 16 SER HA 1 19 GLY H . . 4.680 4.235 4.124 4.460 . 0 0 "[ . 1 . 2]" 2
309 1 9 GLY QA 1 10 GLU QG . . 5.090 4.149 3.094 5.111 0.021 4 0 "[ . 1 . 2]" 2
310 1 13 HIS HB2 1 28 PHE HA . . 4.730 4.437 4.264 4.661 . 0 0 "[ . 1 . 2]" 2
311 1 28 PHE HA 1 32 ARG H . . 4.650 4.601 4.489 4.658 0.008 13 0 "[ . 1 . 2]" 2
312 1 22 PHE QD 1 28 PHE HA . . 3.970 3.181 3.116 3.273 . 0 0 "[ . 1 . 2]" 2
313 1 28 PHE HA 1 28 PHE QD . . 3.320 2.974 2.888 3.065 . 0 0 "[ . 1 . 2]" 2
314 1 25 ALA HA 1 28 PHE HA . . 5.340 5.268 5.166 5.337 . 0 0 "[ . 1 . 2]" 2
315 1 31 HIS HA 1 34 ILE H . . 3.970 3.599 3.515 3.657 . 0 0 "[ . 1 . 2]" 2
316 1 28 PHE HA 1 31 HIS HA . . 5.500 5.462 5.396 5.504 0.004 9 0 "[ . 1 . 2]" 2
317 1 31 HIS HA 1 34 ILE HB . . 5.500 5.413 5.212 5.509 0.009 12 0 "[ . 1 . 2]" 2
318 1 20 LYS HB2 1 20 LYS HE2 . . 5.210 4.125 3.544 4.841 . 0 0 "[ . 1 . 2]" 2
319 1 20 LYS HB2 1 20 LYS HE3 . . 5.210 4.219 3.526 4.702 . 0 0 "[ . 1 . 2]" 2
320 1 20 LYS HB3 1 20 LYS HE2 . . 5.340 3.259 2.338 4.300 . 0 0 "[ . 1 . 2]" 2
321 1 20 LYS HB3 1 20 LYS HE3 . . 5.340 3.408 2.351 4.334 . 0 0 "[ . 1 . 2]" 2
322 1 30 GLN HA 1 32 ARG H . . 4.860 4.402 4.341 4.492 . 0 0 "[ . 1 . 2]" 2
323 1 18 CYS HA 1 35 HIS HE1 . . 4.210 4.081 3.552 4.222 0.012 3 0 "[ . 1 . 2]" 2
324 1 33 ARG HA 1 33 ARG QD . . 4.520 3.815 3.766 4.289 . 0 0 "[ . 1 . 2]" 2
325 1 30 GLN HA 1 30 GLN HG2 . . 3.580 2.629 2.518 2.884 . 0 0 "[ . 1 . 2]" 2
326 1 30 GLN HA 1 33 ARG HG2 . . 3.450 2.778 2.741 2.820 . 0 0 "[ . 1 . 2]" 2
327 1 30 GLN HA 1 33 ARG HG3 . . 4.150 2.217 2.001 2.322 . 0 0 "[ . 1 . 2]" 2
328 1 15 CYS H 1 22 PHE QD . . 4.940 3.830 3.707 3.921 . 0 0 "[ . 1 . 2]" 2
329 1 22 PHE QD 1 24 GLN H . . 4.740 4.547 4.369 4.662 . 0 0 "[ . 1 . 2]" 2
330 1 13 HIS H 1 22 PHE QD . . 4.860 4.335 4.213 4.455 . 0 0 "[ . 1 . 2]" 2
331 1 24 GLN QG 1 27 ASN H . . 4.580 4.541 4.454 4.596 0.016 17 0 "[ . 1 . 2]" 2
332 1 21 PHE HA 1 22 PHE QD . . 3.900 2.603 2.563 2.665 . 0 0 "[ . 1 . 2]" 2
333 1 27 ASN HA 1 30 GLN HG3 . . 4.580 3.161 3.007 3.418 . 0 0 "[ . 1 . 2]" 2
334 1 22 PHE HA 1 22 PHE QD . . 3.670 3.200 3.185 3.212 . 0 0 "[ . 1 . 2]" 2
335 1 15 CYS HB3 1 22 PHE QD . . 5.500 5.127 4.898 5.402 . 0 0 "[ . 1 . 2]" 2
336 1 22 PHE QD 1 28 PHE HB2 . . 3.820 3.552 3.501 3.618 . 0 0 "[ . 1 . 2]" 2
337 1 20 LYS HB2 1 22 PHE QD . . 4.740 4.507 4.452 4.562 . 0 0 "[ . 1 . 2]" 2
338 1 20 LYS HB3 1 22 PHE QD . . 4.320 3.768 3.682 3.843 . 0 0 "[ . 1 . 2]" 2
339 1 30 GLN HG3 1 31 HIS H . . 5.050 4.513 4.389 5.130 0.080 14 0 "[ . 1 . 2]" 2
340 1 30 GLN H 1 30 GLN HG3 . . 3.900 2.228 2.072 3.107 . 0 0 "[ . 1 . 2]" 2
341 1 20 LYS HA 1 22 PHE QE . . 4.530 4.424 4.292 4.524 . 0 0 "[ . 1 . 2]" 2
342 1 32 ARG HA 1 35 HIS HD2 . . 3.500 1.989 1.969 2.021 . 0 0 "[ . 1 . 2]" 2
343 1 20 LYS HA 1 21 PHE HA . . 4.610 4.507 4.476 4.526 . 0 0 "[ . 1 . 2]" 2
344 1 27 ASN HA 1 30 GLN HG2 . . 5.390 4.782 4.029 5.070 . 0 0 "[ . 1 . 2]" 2
345 1 26 SER QB 1 30 GLN HG3 . . 4.280 3.591 3.430 4.272 . 0 0 "[ . 1 . 2]" 2
346 1 24 GLN QG 1 27 ASN HB2 . . 4.250 3.977 3.689 4.140 . 0 0 "[ . 1 . 2]" 2
347 1 32 ARG HA 1 32 ARG HD2 . . 3.500 2.489 2.311 2.574 . 0 0 "[ . 1 . 2]" 2
348 1 13 HIS HB2 1 22 PHE QD . . 4.360 4.085 3.913 4.227 . 0 0 "[ . 1 . 2]" 2
349 1 29 ILE HB 1 30 GLN HG2 . . 4.790 3.385 2.887 3.582 . 0 0 "[ . 1 . 2]" 2
350 1 20 LYS HA 1 20 LYS HG2 . . 3.580 2.408 2.277 2.526 . 0 0 "[ . 1 . 2]" 2
351 1 32 ARG HA 1 32 ARG HG3 . . 3.830 3.818 3.787 3.840 0.010 10 0 "[ . 1 . 2]" 2
352 1 20 LYS HA 1 20 LYS HG3 . . 3.580 2.760 2.627 2.948 . 0 0 "[ . 1 . 2]" 2
353 1 15 CYS H 1 28 PHE QD . . 4.890 4.317 4.030 4.428 . 0 0 "[ . 1 . 2]" 2
354 1 21 PHE HA 1 21 PHE QD . . 3.730 2.773 2.734 2.815 . 0 0 "[ . 1 . 2]" 2
355 1 13 HIS HA 1 28 PHE QD . . 4.690 4.494 4.393 4.668 . 0 0 "[ . 1 . 2]" 2
356 1 25 ALA HA 1 28 PHE QD . . 4.160 3.762 3.621 3.935 . 0 0 "[ . 1 . 2]" 2
357 1 28 PHE QD 1 29 ILE HA . . 3.880 3.213 3.021 3.328 . 0 0 "[ . 1 . 2]" 2
358 1 13 HIS HB2 1 28 PHE QD . . 4.310 2.664 2.401 2.898 . 0 0 "[ . 1 . 2]" 2
359 1 28 PHE QD 1 29 ILE HG13 . . 3.970 2.963 2.850 3.036 . 0 0 "[ . 1 . 2]" 2
360 1 14 ARG HB2 1 21 PHE QD . . 4.350 2.113 2.018 2.181 . 0 0 "[ . 1 . 2]" 2
361 1 28 PHE QD 1 29 ILE HG12 . . 4.010 3.061 2.950 3.146 . 0 0 "[ . 1 . 2]" 2
362 1 12 GLY HA3 1 21 PHE QE . . 4.340 3.209 2.986 3.315 . 0 0 "[ . 1 . 2]" 2
363 1 12 GLY HA2 1 21 PHE QE . . 4.740 4.511 4.238 4.637 . 0 0 "[ . 1 . 2]" 2
364 1 14 ARG HB3 1 21 PHE QE . . 4.810 4.712 4.562 4.807 . 0 0 "[ . 1 . 2]" 2
365 1 14 ARG HB2 1 21 PHE QE . . 4.810 3.469 3.269 3.609 . 0 0 "[ . 1 . 2]" 2
366 1 13 HIS HA 1 14 ARG HB3 . . 5.000 4.562 4.512 4.616 . 0 0 "[ . 1 . 2]" 2
367 1 22 PHE H 1 22 PHE QE . . 5.050 4.810 4.765 4.881 . 0 0 "[ . 1 . 2]" 2
368 1 21 PHE H 1 22 PHE QE . . 4.820 3.426 3.366 3.503 . 0 0 "[ . 1 . 2]" 2
369 1 20 LYS H 1 22 PHE QE . . 4.560 3.927 3.789 4.211 . 0 0 "[ . 1 . 2]" 2
370 1 21 PHE QE 1 23 LEU HA . . 4.130 4.097 4.022 4.132 0.002 16 0 "[ . 1 . 2]" 2
371 1 14 ARG HB3 1 21 PHE QD . . 4.350 3.847 3.720 3.927 . 0 0 "[ . 1 . 2]" 2
372 1 13 HIS HA 1 14 ARG HB2 . . 5.000 4.689 4.620 4.796 . 0 0 "[ . 1 . 2]" 2
373 1 12 GLY HA3 1 23 LEU HA . . 3.560 2.940 2.667 3.301 . 0 0 "[ . 1 . 2]" 2
374 1 12 GLY HA2 1 23 LEU HA . . 3.620 2.428 2.106 2.756 . 0 0 "[ . 1 . 2]" 2
375 1 15 CYS HB3 1 28 PHE QE . . 4.570 4.398 4.104 4.563 . 0 0 "[ . 1 . 2]" 2
376 1 15 CYS HB3 1 22 PHE QE . . 4.000 3.600 3.441 3.968 . 0 0 "[ . 1 . 2]" 2
377 1 15 CYS HB2 1 22 PHE QE . . 3.520 3.063 2.732 3.225 . 0 0 "[ . 1 . 2]" 2
378 1 15 CYS HB2 1 28 PHE QE . . 3.780 3.206 2.963 3.320 . 0 0 "[ . 1 . 2]" 2
379 1 22 PHE QE 1 31 HIS HB2 . . 4.070 2.567 2.434 2.673 . 0 0 "[ . 1 . 2]" 2
380 1 20 LYS HB2 1 22 PHE QE . . 3.440 2.387 2.302 2.463 . 0 0 "[ . 1 . 2]" 2
381 1 20 LYS HB3 1 22 PHE QE . . 3.790 2.207 2.058 2.359 . 0 0 "[ . 1 . 2]" 2
382 1 20 LYS HG3 1 22 PHE QE . . 5.000 4.599 4.462 4.766 . 0 0 "[ . 1 . 2]" 2
383 1 23 LEU HA 1 23 LEU MD2 . . 2.980 2.724 2.559 2.807 . 0 0 "[ . 1 . 2]" 2
384 1 21 PHE QD 1 22 PHE HA . . 4.510 3.595 3.519 3.686 . 0 0 "[ . 1 . 2]" 2
385 1 18 CYS HA 1 18 CYS HB2 . . 3.000 2.509 2.491 2.516 . 0 0 "[ . 1 . 2]" 2
386 1 40 PRO HB2 1 43 PRO QD . . 4.850 2.835 2.015 3.550 . 0 0 "[ . 1 . 2]" 2
387 1 40 PRO HB3 1 43 PRO QD . . 4.850 4.289 3.574 4.831 . 0 0 "[ . 1 . 2]" 2
388 1 13 HIS HB3 1 14 ARG H . . 4.510 3.640 3.533 3.766 . 0 0 "[ . 1 . 2]" 2
389 1 13 HIS HB3 1 28 PHE QE . . 4.640 3.205 2.966 3.480 . 0 0 "[ . 1 . 2]" 2
390 1 13 HIS HB3 1 28 PHE QD . . 4.540 2.958 2.847 3.132 . 0 0 "[ . 1 . 2]" 2
391 1 13 HIS HB2 1 28 PHE HB3 . . 4.530 3.060 2.876 3.229 . 0 0 "[ . 1 . 2]" 2
392 1 10 GLU HA 1 10 GLU QG . . 3.450 2.840 2.248 3.435 . 0 0 "[ . 1 . 2]" 2
393 1 38 GLU HA 1 38 GLU QG . . 3.770 2.460 2.201 3.432 . 0 0 "[ . 1 . 2]" 2
394 1 11 ARG HA 1 11 ARG QD . . 4.290 3.275 2.078 4.362 0.072 3 0 "[ . 1 . 2]" 2
395 1 11 ARG HB2 1 12 GLY H . . 4.850 4.290 3.560 4.612 . 0 0 "[ . 1 . 2]" 2
396 1 13 HIS H 1 21 PHE HZ . . 5.500 4.262 4.046 4.576 . 0 0 "[ . 1 . 2]" 2
397 1 13 HIS HD2 1 25 ALA HA . . 4.300 3.176 2.810 3.655 . 0 0 "[ . 1 . 2]" 2
398 1 25 ALA HA 1 29 ILE H . . 4.280 4.237 4.081 4.297 0.017 16 0 "[ . 1 . 2]" 2
399 1 21 PHE HZ 1 23 LEU HA . . 4.840 4.839 4.765 4.854 0.014 18 0 "[ . 1 . 2]" 2
400 1 12 GLY HA2 1 21 PHE HZ . . 4.400 4.224 3.824 4.380 . 0 0 "[ . 1 . 2]" 2
401 1 25 ALA HA 1 28 PHE HB3 . . 3.440 2.418 2.301 2.539 . 0 0 "[ . 1 . 2]" 2
402 1 25 ALA HA 1 28 PHE HB2 . . 3.770 3.585 3.450 3.671 . 0 0 "[ . 1 . 2]" 2
403 1 21 PHE HZ 1 23 LEU MD2 . . 3.970 3.905 3.823 3.971 0.001 16 0 "[ . 1 . 2]" 2
404 1 13 HIS HA 1 28 PHE HB2 . . 5.310 5.221 5.049 5.328 0.018 16 0 "[ . 1 . 2]" 2
405 1 22 PHE HZ 1 31 HIS HE1 . . 4.680 3.317 3.212 3.460 . 0 0 "[ . 1 . 2]" 2
406 1 13 HIS HA 1 21 PHE QE . . 5.500 4.827 4.573 5.061 . 0 0 "[ . 1 . 2]" 2
407 1 13 HIS HA 1 28 PHE QE . . 5.500 4.458 4.232 4.666 . 0 0 "[ . 1 . 2]" 2
408 1 22 PHE HZ 1 31 HIS HA . . 5.070 4.751 4.599 4.883 . 0 0 "[ . 1 . 2]" 2
409 1 15 CYS HB2 1 22 PHE HZ . . 4.670 4.623 4.442 4.679 0.009 19 0 "[ . 1 . 2]" 2
410 1 22 PHE HZ 1 31 HIS HB2 . . 4.420 2.881 2.669 3.039 . 0 0 "[ . 1 . 2]" 2
411 1 20 LYS HB2 1 22 PHE HZ . . 4.030 3.514 3.374 3.744 . 0 0 "[ . 1 . 2]" 2
412 1 20 LYS HD3 1 22 PHE HZ . . 4.350 2.650 2.503 2.784 . 0 0 "[ . 1 . 2]" 2
413 1 20 LYS HB3 1 22 PHE HZ . . 4.260 3.315 3.157 3.541 . 0 0 "[ . 1 . 2]" 2
414 1 15 CYS HB3 1 20 LYS H . . 3.510 1.912 1.886 2.127 . 0 0 "[ . 1 . 2]" 2
415 1 15 CYS HB2 1 20 LYS H . . 3.760 3.465 3.118 3.697 . 0 0 "[ . 1 . 2]" 2
416 1 15 CYS HB3 1 31 HIS HD2 . . 4.540 3.985 3.839 4.387 . 0 0 "[ . 1 . 2]" 2
417 1 30 GLN HA 1 33 ARG HB3 . . 4.310 4.537 4.497 4.579 0.269 11 0 "[ . 1 . 2]" 2
418 1 33 ARG HB3 1 34 ILE HA . . 4.840 5.164 5.135 5.194 0.354 19 0 "[ . 1 . 2]" 2
419 1 35 HIS HB2 1 35 HIS HD2 . . 3.890 2.724 2.695 2.827 . 0 0 "[ . 1 . 2]" 2
420 1 15 CYS HB3 1 20 LYS HB2 . . 4.140 2.816 2.648 3.024 . 0 0 "[ . 1 . 2]" 2
421 1 15 CYS HB2 1 20 LYS HB2 . . 4.330 3.433 2.904 3.645 . 0 0 "[ . 1 . 2]" 2
422 1 32 ARG HG2 1 35 HIS HD2 . . 4.600 4.610 4.553 4.651 0.051 20 0 "[ . 1 . 2]" 2
423 1 24 GLN H 1 24 GLN HB3 . . 3.960 3.686 3.668 3.725 . 0 0 "[ . 1 . 2]" 2
424 1 33 ARG HB3 1 34 ILE H . . 4.380 4.028 3.966 4.089 . 0 0 "[ . 1 . 2]" 2
425 1 33 ARG H 1 33 ARG HB3 . . 3.640 3.478 3.461 3.499 . 0 0 "[ . 1 . 2]" 2
426 1 33 ARG H 1 33 ARG HB2 . . 3.780 3.075 3.051 3.089 . 0 0 "[ . 1 . 2]" 2
427 1 33 ARG HB3 1 33 ARG QD . . 3.580 2.091 2.050 2.683 . 0 0 "[ . 1 . 2]" 2
428 1 33 ARG HB2 1 33 ARG QD . . 3.610 2.971 2.861 3.011 . 0 0 "[ . 1 . 2]" 2
429 1 24 GLN HB3 1 27 ASN HB2 . . 4.180 4.058 3.709 4.184 0.004 2 0 "[ . 1 . 2]" 2
430 1 24 GLN HB2 1 27 ASN HB2 . . 4.000 2.493 2.117 2.607 . 0 0 "[ . 1 . 2]" 2
431 1 24 GLN HB2 1 27 ASN HA . . 4.900 4.675 4.529 4.751 . 0 0 "[ . 1 . 2]" 2
432 1 20 LYS HD3 1 31 HIS HE1 . . 4.360 2.278 2.000 3.128 . 0 0 "[ . 1 . 2]" 2
433 1 20 LYS HD2 1 22 PHE HZ . . 4.350 4.181 3.586 4.347 . 0 0 "[ . 1 . 2]" 2
434 1 20 LYS HA 1 20 LYS HD2 . . 4.900 4.662 4.573 4.691 . 0 0 "[ . 1 . 2]" 2
435 1 20 LYS HA 1 20 LYS HD3 . . 4.900 4.443 4.296 4.465 . 0 0 "[ . 1 . 2]" 2
436 1 20 LYS HB3 1 20 LYS HD2 . . 3.960 3.656 3.330 3.760 . 0 0 "[ . 1 . 2]" 2
437 1 39 LYS HA 1 39 LYS QD . . 4.730 3.920 2.817 4.421 . 0 0 "[ . 1 . 2]" 2
438 1 35 HIS HB3 1 35 HIS HD2 . . 3.890 3.791 3.729 3.913 0.023 11 0 "[ . 1 . 2]" 2
439 1 35 HIS HB3 1 36 THR MG . . 4.650 4.555 4.388 4.716 0.066 18 0 "[ . 1 . 2]" 2
440 1 30 GLN QB 1 31 HIS HA . . 4.310 4.089 4.064 4.105 . 0 0 "[ . 1 . 2]" 2
441 1 30 GLN QB 1 31 HIS HB2 . . 4.670 4.503 4.488 4.521 . 0 0 "[ . 1 . 2]" 2
442 1 27 ASN HA 1 30 GLN QB . . 3.310 3.274 3.176 3.321 0.011 17 0 "[ . 1 . 2]" 2
443 1 30 GLN QB 1 33 ARG QD . . 4.250 3.709 3.467 3.774 . 0 0 "[ . 1 . 2]" 2
444 1 30 GLN QB 1 31 HIS HB3 . . 4.760 4.793 4.769 4.816 0.056 9 0 "[ . 1 . 2]" 2
445 1 30 GLN QB 1 33 ARG HG2 . . 4.370 4.599 4.569 4.659 0.289 18 0 "[ . 1 . 2]" 2
446 1 29 ILE MG 1 30 GLN QB . . 4.780 4.652 4.585 4.774 . 0 0 "[ . 1 . 2]" 2
447 1 32 ARG H 1 32 ARG HB2 . . 3.770 2.535 2.478 2.570 . 0 0 "[ . 1 . 2]" 2
448 1 28 PHE QE 1 31 HIS HD2 . . 4.670 4.102 3.887 4.250 . 0 0 "[ . 1 . 2]" 2
449 1 32 ARG HB3 1 33 ARG H . . 4.390 4.201 4.147 4.241 . 0 0 "[ . 1 . 2]" 2
450 1 22 PHE QE 1 31 HIS HB3 . . 4.360 3.438 3.340 3.553 . 0 0 "[ . 1 . 2]" 2
451 1 22 PHE QE 1 31 HIS HD2 . . 3.940 3.429 3.319 3.534 . 0 0 "[ . 1 . 2]" 2
452 1 31 HIS HD2 1 32 ARG HB2 . . 5.250 5.022 4.911 5.108 . 0 0 "[ . 1 . 2]" 2
453 1 32 ARG HB2 1 35 HIS HD2 . . 5.500 4.780 4.722 4.857 . 0 0 "[ . 1 . 2]" 2
454 1 22 PHE HZ 1 31 HIS HB3 . . 4.480 3.508 3.371 3.675 . 0 0 "[ . 1 . 2]" 2
455 1 28 PHE HA 1 31 HIS HB3 . . 3.690 2.607 2.542 2.686 . 0 0 "[ . 1 . 2]" 2
456 1 28 PHE HA 1 31 HIS HB2 . . 3.950 3.738 3.634 3.777 . 0 0 "[ . 1 . 2]" 2
457 1 29 ILE HA 1 32 ARG HB2 . . 4.060 3.289 3.223 3.338 . 0 0 "[ . 1 . 2]" 2
458 1 29 ILE HA 1 32 ARG HB3 . . 4.900 4.835 4.797 4.856 . 0 0 "[ . 1 . 2]" 2
459 1 31 HIS HB3 1 31 HIS HD2 . . 3.820 2.757 2.751 2.772 . 0 0 "[ . 1 . 2]" 2
460 1 31 HIS HD2 1 32 ARG HB3 . . 4.920 4.956 4.916 4.979 0.059 14 0 "[ . 1 . 2]" 2
461 1 32 ARG H 1 32 ARG HB3 . . 3.740 3.596 3.590 3.601 . 0 0 "[ . 1 . 2]" 2
462 1 31 HIS H 1 31 HIS HD2 . . 4.530 4.505 4.480 4.541 0.011 18 0 "[ . 1 . 2]" 2
463 1 31 HIS HA 1 31 HIS HD2 . . 4.810 4.633 4.597 4.649 . 0 0 "[ . 1 . 2]" 2
464 1 31 HIS HD2 1 32 ARG HA . . 3.540 3.447 3.340 3.527 . 0 0 "[ . 1 . 2]" 2
465 1 28 PHE HA 1 31 HIS HD2 . . 4.750 4.061 3.975 4.203 . 0 0 "[ . 1 . 2]" 2
466 1 15 CYS HB2 1 31 HIS HD2 . . 3.490 2.456 2.243 2.877 . 0 0 "[ . 1 . 2]" 2
467 1 31 HIS HD2 1 32 ARG HD2 . . 3.910 3.130 2.828 3.525 . 0 0 "[ . 1 . 2]" 2
468 1 14 ARG HG3 1 21 PHE QD . . 4.720 3.266 3.099 3.521 . 0 0 "[ . 1 . 2]" 2
469 1 33 ARG HA 1 33 ARG HG2 . . 3.850 2.994 2.977 3.014 . 0 0 "[ . 1 . 2]" 2
470 1 33 ARG HA 1 33 ARG HG3 . . 3.820 3.851 3.834 3.871 0.051 18 0 "[ . 1 . 2]" 2
471 1 33 ARG HG3 1 34 ILE HA . . 5.060 5.342 5.280 5.387 0.327 10 0 "[ . 1 . 2]" 2
472 1 33 ARG HG3 1 34 ILE H . . 5.030 3.233 3.167 3.319 . 0 0 "[ . 1 . 2]" 2
473 1 14 ARG HG2 1 21 PHE QD . . 4.720 4.571 4.417 4.698 . 0 0 "[ . 1 . 2]" 2
474 1 23 LEU HG 1 24 GLN H . . 5.470 5.094 5.018 5.224 . 0 0 "[ . 1 . 2]" 2
475 1 22 PHE HA 1 23 LEU HG . . 5.420 5.381 5.305 5.424 0.004 17 0 "[ . 1 . 2]" 2
476 1 23 LEU HA 1 23 LEU HG . . 3.880 3.752 3.738 3.771 . 0 0 "[ . 1 . 2]" 2
477 1 21 PHE QE 1 23 LEU HG . . 4.340 4.196 4.117 4.275 . 0 0 "[ . 1 . 2]" 2
478 1 11 ARG HA 1 11 ARG HG3 . . 4.020 3.169 2.366 3.930 . 0 0 "[ . 1 . 2]" 2
479 1 20 LYS HG2 1 21 PHE H . . 4.430 3.239 3.204 3.352 . 0 0 "[ . 1 . 2]" 2
480 1 20 LYS H 1 20 LYS HG2 . . 4.410 4.187 3.818 4.388 . 0 0 "[ . 1 . 2]" 2
481 1 20 LYS HG2 1 22 PHE QE . . 5.000 4.509 4.418 4.597 . 0 0 "[ . 1 . 2]" 2
482 1 20 LYS H 1 20 LYS HG3 . . 4.410 3.228 2.884 3.406 . 0 0 "[ . 1 . 2]" 2
483 1 39 LYS HA 1 40 PRO HD2 . . 3.160 2.226 1.918 2.432 . 0 0 "[ . 1 . 2]" 2
484 1 39 LYS HA 1 40 PRO HD3 . . 3.160 2.281 2.254 2.441 . 0 0 "[ . 1 . 2]" 2
485 1 32 ARG H 1 32 ARG HG2 . . 4.100 2.171 2.114 2.261 . 0 0 "[ . 1 . 2]" 2
486 1 31 HIS HD2 1 32 ARG HG2 . . 4.580 2.650 2.539 2.758 . 0 0 "[ . 1 . 2]" 2
487 1 31 HIS HD2 1 32 ARG HG3 . . 4.350 4.300 4.224 4.355 0.005 14 0 "[ . 1 . 2]" 2
488 1 40 PRO QG 1 43 PRO QD . . 3.300 2.604 1.971 3.239 . 0 0 "[ . 1 . 2]" 2
489 1 42 GLY HA2 1 43 PRO QD . . 3.460 2.757 1.963 3.464 0.004 8 0 "[ . 1 . 2]" 2
490 1 23 LEU MD1 1 24 GLN QG . . 5.040 4.974 4.869 5.039 . 0 0 "[ . 1 . 2]" 2
491 1 21 PHE QE 1 23 LEU MD1 . . 3.940 2.190 1.991 2.387 . 0 0 "[ . 1 . 2]" 2
492 1 12 GLY HA3 1 23 LEU MD1 . . 4.340 2.867 2.584 3.123 . 0 0 "[ . 1 . 2]" 2
493 1 12 GLY HA2 1 23 LEU MD1 . . 4.500 3.151 2.906 3.355 . 0 0 "[ . 1 . 2]" 2
494 1 13 HIS H 1 23 LEU MD2 . . 4.640 4.166 3.980 4.335 . 0 0 "[ . 1 . 2]" 2
495 1 21 PHE QE 1 23 LEU MD2 . . 3.590 2.002 1.949 2.056 . 0 0 "[ . 1 . 2]" 2
496 1 21 PHE QD 1 23 LEU MD2 . . 4.340 2.543 2.452 2.610 . 0 0 "[ . 1 . 2]" 2
497 1 12 GLY HA3 1 23 LEU MD2 . . 4.000 3.651 3.357 3.928 . 0 0 "[ . 1 . 2]" 2
498 1 23 LEU MD2 1 24 GLN QG . . 4.740 4.587 4.515 4.708 . 0 0 "[ . 1 . 2]" 2
499 1 13 HIS HD2 1 28 PHE HB3 . . 4.830 4.178 3.780 4.692 . 0 0 "[ . 1 . 2]" 2
500 1 12 GLY HA3 1 13 HIS HD2 . . 4.660 4.192 3.711 4.583 . 0 0 "[ . 1 . 2]" 2
501 1 12 GLY HA2 1 13 HIS HD2 . . 4.300 2.958 2.500 3.419 . 0 0 "[ . 1 . 2]" 2
502 1 13 HIS HD2 1 28 PHE HB2 . . 4.800 4.008 3.629 4.420 . 0 0 "[ . 1 . 2]" 2
503 1 14 ARG HG2 1 19 GLY HA2 . . 4.450 3.217 2.659 3.321 . 0 0 "[ . 1 . 2]" 2
504 1 14 ARG HG3 1 19 GLY HA2 . . 4.450 3.950 3.429 4.091 . 0 0 "[ . 1 . 2]" 2
505 1 35 HIS H 1 36 THR MG . . 4.550 3.550 3.297 3.763 . 0 0 "[ . 1 . 2]" 2
506 1 36 THR HA 1 36 THR MG . . 3.000 2.582 2.451 3.182 0.182 12 0 "[ . 1 . 2]" 2
507 1 33 ARG HA 1 36 THR MG . . 4.240 1.888 1.865 1.945 . 0 0 "[ . 1 . 2]" 2
508 1 35 HIS HB2 1 36 THR MG . . 4.650 3.253 3.081 3.537 . 0 0 "[ . 1 . 2]" 2
509 1 33 ARG HB2 1 36 THR MG . . 4.210 4.214 3.703 4.354 0.144 17 0 "[ . 1 . 2]" 2
510 1 12 GLY HA3 1 21 PHE QD . . 4.680 4.520 4.352 4.613 . 0 0 "[ . 1 . 2]" 2
511 1 12 GLY HA3 1 13 HIS HB2 . . 5.170 4.976 4.789 5.163 . 0 0 "[ . 1 . 2]" 2
512 1 12 GLY HA2 1 13 HIS HB2 . . 4.840 4.686 4.537 4.811 . 0 0 "[ . 1 . 2]" 2
513 1 12 GLY HA3 1 21 PHE HZ . . 3.800 2.609 2.217 2.783 . 0 0 "[ . 1 . 2]" 2
514 1 42 GLY HA3 1 43 PRO QD . . 3.460 2.797 2.034 3.467 0.007 19 0 "[ . 1 . 2]" 2
515 1 12 GLY HA2 1 23 LEU MD2 . . 4.400 4.280 4.114 4.407 0.007 8 0 "[ . 1 . 2]" 2
516 1 23 LEU HG 1 24 GLN QG . . 5.250 4.962 4.892 5.013 . 0 0 "[ . 1 . 2]" 2
517 1 11 ARG HA 1 11 ARG HG2 . . 4.020 2.994 2.256 3.864 . 0 0 "[ . 1 . 2]" 2
518 1 11 ARG QD 1 23 LEU MD1 . . 4.510 3.546 2.448 4.510 0.000 4 0 "[ . 1 . 2]" 2
519 1 13 HIS HA 1 13 HIS HD2 . . 4.930 4.188 3.865 4.408 . 0 0 "[ . 1 . 2]" 2
520 1 13 HIS HD2 1 23 LEU HA . . 5.210 3.821 3.482 4.267 . 0 0 "[ . 1 . 2]" 2
521 1 14 ARG HB2 1 14 ARG HD2 . . 3.970 3.541 3.040 3.893 . 0 0 "[ . 1 . 2]" 2
522 1 14 ARG HB3 1 14 ARG HD2 . . 3.970 2.970 2.150 3.609 . 0 0 "[ . 1 . 2]" 2
523 1 20 LYS HB3 1 20 LYS HD3 . . 3.960 2.594 2.267 2.721 . 0 0 "[ . 1 . 2]" 2
524 1 22 PHE HB2 1 28 PHE HB2 . . 3.700 2.114 2.031 2.249 . 0 0 "[ . 1 . 2]" 2
525 1 23 LEU HB2 1 23 LEU MD1 . . 3.290 3.181 3.166 3.190 . 0 0 "[ . 1 . 2]" 2
526 1 23 LEU HB3 1 23 LEU MD1 . . 3.290 2.251 2.220 2.321 . 0 0 "[ . 1 . 2]" 2
527 1 23 LEU HA 1 23 LEU MD1 . . 3.370 2.159 2.033 2.223 . 0 0 "[ . 1 . 2]" 2
528 1 30 GLN HA 1 30 GLN HG3 . . 3.820 3.574 3.506 3.879 0.059 13 0 "[ . 1 . 2]" 2
529 1 15 CYS HB2 1 28 PHE HZ . . 4.880 4.831 4.621 4.891 0.011 16 0 "[ . 1 . 2]" 2
530 1 29 ILE HB 1 30 GLN QB . . 4.810 4.620 4.541 4.649 . 0 0 "[ . 1 . 2]" 2
531 1 29 ILE MG 1 30 GLN HG3 . . 5.320 4.475 4.284 5.231 . 0 0 "[ . 1 . 2]" 2
532 1 28 PHE QE 1 32 ARG HD2 . . 4.360 4.216 4.085 4.368 0.008 11 0 "[ . 1 . 2]" 2
533 1 9 GLY QA 1 10 GLU QB . . 4.560 4.005 3.501 4.424 . 0 0 "[ . 1 . 2]" 2
534 1 11 ARG HA 1 11 ARG QG . . 3.430 2.569 2.231 3.344 . 0 0 "[ . 1 . 2]" 2
535 1 11 ARG QB 1 12 GLY H . . 4.070 3.646 2.064 4.059 . 0 0 "[ . 1 . 2]" 2
536 1 12 GLY HA2 1 23 LEU QB . . 4.920 4.350 4.074 4.628 . 0 0 "[ . 1 . 2]" 2
537 1 12 GLY HA3 1 23 LEU QB . . 5.330 4.847 4.616 5.123 . 0 0 "[ . 1 . 2]" 2
538 1 13 HIS HA 1 14 ARG QB . . 4.270 4.117 4.095 4.141 . 0 0 "[ . 1 . 2]" 2
539 1 14 ARG H 1 14 ARG QG . . 4.120 4.006 3.979 4.026 . 0 0 "[ . 1 . 2]" 2
540 1 14 ARG QB 1 14 ARG QD . . 2.970 2.286 1.998 2.416 . 0 0 "[ . 1 . 2]" 2
541 1 14 ARG QB 1 21 PHE HA . . 4.550 3.322 3.217 3.480 . 0 0 "[ . 1 . 2]" 2
542 1 14 ARG QB 1 21 PHE QD . . 3.630 2.103 2.011 2.171 . 0 0 "[ . 1 . 2]" 2
543 1 14 ARG QB 1 21 PHE QE . . 4.090 3.384 3.200 3.506 . 0 0 "[ . 1 . 2]" 2
544 1 14 ARG QG 1 15 CYS HB2 . . 4.730 4.618 4.381 4.743 0.013 7 0 "[ . 1 . 2]" 2
545 1 14 ARG QG 1 15 CYS HB3 . . 4.540 3.910 3.715 4.008 . 0 0 "[ . 1 . 2]" 2
546 1 14 ARG QG 1 16 SER HA . . 4.420 4.374 4.263 4.433 0.013 6 0 "[ . 1 . 2]" 2
547 1 14 ARG QG 1 19 GLY H . . 4.660 4.533 4.191 4.642 . 0 0 "[ . 1 . 2]" 2
548 1 14 ARG QG 1 19 GLY HA2 . . 3.860 3.082 2.573 3.183 . 0 0 "[ . 1 . 2]" 2
549 1 14 ARG QG 1 19 GLY HA3 . . 5.240 4.341 3.671 4.475 . 0 0 "[ . 1 . 2]" 2
550 1 14 ARG QG 1 20 LYS H . . 4.490 3.767 3.473 4.086 . 0 0 "[ . 1 . 2]" 2
551 1 14 ARG QG 1 28 PHE QE . . 4.860 4.540 4.394 4.709 . 0 0 "[ . 1 . 2]" 2
552 1 14 ARG QD 1 16 SER HA . . 5.080 4.597 4.228 5.070 . 0 0 "[ . 1 . 2]" 2
553 1 14 ARG QD 1 19 GLY HA3 . . 4.390 4.381 4.281 4.429 0.039 16 0 "[ . 1 . 2]" 2
554 1 16 SER HA 1 16 SER QB . . 2.550 2.369 2.185 2.476 . 0 0 "[ . 1 . 2]" 2
555 1 16 SER QB 1 17 ASP H . . 4.430 2.909 2.674 3.551 . 0 0 "[ . 1 . 2]" 2
556 1 17 ASP QB 1 18 CYS H . . 3.150 2.420 2.248 2.528 . 0 0 "[ . 1 . 2]" 2
557 1 17 ASP QB 1 18 CYS HB3 . . 4.630 3.728 3.651 3.784 . 0 0 "[ . 1 . 2]" 2
558 1 17 ASP QB 1 19 GLY H . . 4.530 4.305 4.201 4.448 . 0 0 "[ . 1 . 2]" 2
559 1 20 LYS H 1 20 LYS QG . . 3.840 3.127 2.803 3.295 . 0 0 "[ . 1 . 2]" 2
560 1 20 LYS H 1 20 LYS QD . . 4.200 4.154 4.045 4.225 0.025 9 0 "[ . 1 . 2]" 2
561 1 20 LYS HA 1 20 LYS QG . . 3.130 2.260 2.204 2.292 . 0 0 "[ . 1 . 2]" 2
562 1 20 LYS HA 1 20 LYS QD . . 4.170 4.047 3.964 4.069 . 0 0 "[ . 1 . 2]" 2
563 1 20 LYS HB2 1 20 LYS QE . . 4.500 3.643 3.387 4.141 . 0 0 "[ . 1 . 2]" 2
564 1 20 LYS HB3 1 20 LYS QD . . 3.390 2.543 2.232 2.661 . 0 0 "[ . 1 . 2]" 2
565 1 20 LYS HB3 1 20 LYS QE . . 4.630 2.773 2.311 3.642 . 0 0 "[ . 1 . 2]" 2
566 1 20 LYS QE 1 20 LYS QG . . 3.170 2.214 2.042 2.499 . 0 0 "[ . 1 . 2]" 2
567 1 20 LYS QG 1 21 PHE H . . 3.610 3.156 3.118 3.259 . 0 0 "[ . 1 . 2]" 2
568 1 20 LYS QG 1 22 PHE QE . . 4.170 4.055 3.964 4.161 . 0 0 "[ . 1 . 2]" 2
569 1 20 LYS QG 1 22 PHE HZ . . 4.970 4.465 4.338 4.660 . 0 0 "[ . 1 . 2]" 2
570 1 20 LYS QD 1 22 PHE QE . . 4.680 3.288 3.164 3.391 . 0 0 "[ . 1 . 2]" 2
571 1 20 LYS QD 1 22 PHE HZ . . 3.800 2.621 2.482 2.734 . 0 0 "[ . 1 . 2]" 2
572 1 20 LYS QD 1 31 HIS HE1 . . 3.590 2.050 1.970 2.181 . 0 0 "[ . 1 . 2]" 2
573 1 20 LYS QE 1 22 PHE HZ . . 4.500 3.347 2.626 4.463 . 0 0 "[ . 1 . 2]" 2
574 1 20 LYS QE 1 31 HIS HE1 . . 4.580 4.025 3.564 4.257 . 0 0 "[ . 1 . 2]" 2
575 1 21 PHE QE 1 23 LEU QB . . 5.310 4.725 4.661 4.780 . 0 0 "[ . 1 . 2]" 2
576 1 23 LEU QB 1 23 LEU MD1 . . 2.840 2.207 2.178 2.267 . 0 0 "[ . 1 . 2]" 2
577 1 23 LEU QB 1 23 LEU MD2 . . 3.180 2.261 2.232 2.329 . 0 0 "[ . 1 . 2]" 2
578 1 23 LEU QB 1 24 GLN H . . 3.510 2.680 2.599 2.855 . 0 0 "[ . 1 . 2]" 2
579 1 23 LEU QB 1 24 GLN QG . . 3.610 2.821 2.705 2.925 . 0 0 "[ . 1 . 2]" 2
580 1 24 GLN H 1 27 ASN QD . . 5.230 4.256 3.094 5.199 . 0 0 "[ . 1 . 2]" 2
581 1 34 ILE H 1 34 ILE QG . . 3.330 2.770 2.743 2.817 . 0 0 "[ . 1 . 2]" 2
582 1 34 ILE HA 1 34 ILE QG . . 3.430 3.265 3.260 3.272 . 0 0 "[ . 1 . 2]" 2
583 1 34 ILE QG 1 34 ILE MG . . 2.920 2.237 2.227 2.251 . 0 0 "[ . 1 . 2]" 2
584 1 34 ILE QG 1 35 HIS H . . 4.460 2.082 1.925 2.271 . 0 0 "[ . 1 . 2]" 2
585 1 35 HIS H 1 35 HIS QB . . 3.170 2.566 2.437 2.619 . 0 0 "[ . 1 . 2]" 2
586 1 35 HIS QB 1 35 HIS HD2 . . 3.310 2.666 2.636 2.765 . 0 0 "[ . 1 . 2]" 2
587 1 35 HIS QB 1 36 THR H . . 3.630 2.819 2.627 3.029 . 0 0 "[ . 1 . 2]" 2
588 1 35 HIS QB 1 36 THR HA . . 4.640 3.931 3.843 4.256 . 0 0 "[ . 1 . 2]" 2
589 1 35 HIS QB 1 36 THR MG . . 3.870 3.186 3.023 3.438 . 0 0 "[ . 1 . 2]" 2
590 1 37 GLY QA 1 38 GLU QB . . 5.180 3.978 3.604 4.698 . 0 0 "[ . 1 . 2]" 2
591 1 37 GLY QA 1 38 GLU QG . . 5.340 4.800 3.277 5.348 0.008 5 0 "[ . 1 . 2]" 2
592 1 38 GLU H 1 38 GLU QB . . 3.440 2.437 2.127 3.102 . 0 0 "[ . 1 . 2]" 2
593 1 38 GLU QB 1 39 LYS H . . 3.940 3.414 2.173 3.963 0.023 15 0 "[ . 1 . 2]" 2
594 1 39 LYS H 1 39 LYS QB . . 3.500 2.628 2.205 3.164 . 0 0 "[ . 1 . 2]" 2
595 1 39 LYS QB 1 40 PRO QD . . 3.450 2.574 1.990 3.391 . 0 0 "[ . 1 . 2]" 2
596 1 39 LYS QG 1 40 PRO QD . . 4.500 3.027 1.816 4.210 . 0 0 "[ . 1 . 2]" 2
597 1 40 PRO HA 1 43 PRO QG . . 5.350 5.216 4.863 5.393 0.043 2 0 "[ . 1 . 2]" 2
598 1 40 PRO QB 1 43 PRO QD . . 4.140 2.790 2.004 3.436 . 0 0 "[ . 1 . 2]" 2
599 1 40 PRO QD 1 43 PRO QG . . 4.160 3.379 1.982 4.161 0.001 7 0 "[ . 1 . 2]" 2
600 1 42 GLY QA 1 43 PRO QD . . 2.890 2.098 1.952 2.215 . 0 0 "[ . 1 . 2]" 2
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