NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
507754 |
2en4   |
10233 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2en4
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 22
_Distance_constraint_stats_list.Viol_total 0.629
_Distance_constraint_stats_list.Viol_max 0.004
_Distance_constraint_stats_list.Viol_rms 0.0005
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0001
_Distance_constraint_stats_list.Viol_average_violations_only 0.0014
_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 0.024 0.004 6 0 "[ . 1 . 2]"
1 18 CYS 0.002 0.001 7 0 "[ . 1 . 2]"
1 31 HIS 0.022 0.004 6 0 "[ . 1 . 2]"
1 35 HIS 0.002 0.002 5 0 "[ . 1 . 2]"
2 1 ZN 0.013 0.002 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 . 2.330 2.370 2.351 2.328 2.370 0.002 13 0 "[ . 1 . 2]" 1
2 1 18 CYS SG 2 1 ZN ZN . 2.330 2.370 2.356 2.331 2.370 . 0 0 "[ . 1 . 2]" 1
3 1 31 HIS NE2 2 1 ZN ZN . 2.330 2.370 2.348 2.329 2.371 0.001 3 0 "[ . 1 . 2]" 1
4 1 35 HIS NE2 2 1 ZN ZN . 2.330 2.370 2.350 2.328 2.370 0.002 5 0 "[ . 1 . 2]" 1
5 1 15 CYS CB 2 1 ZN ZN . 3.250 3.510 3.293 3.248 3.349 0.002 16 0 "[ . 1 . 2]" 1
6 1 18 CYS CB 2 1 ZN ZN . 3.250 3.510 3.266 3.249 3.310 0.001 7 0 "[ . 1 . 2]" 1
7 1 15 CYS SG 1 18 CYS SG . 3.200 4.000 3.954 3.827 4.001 0.001 14 0 "[ . 1 . 2]" 1
8 1 15 CYS SG 1 31 HIS NE2 . 3.200 4.000 3.987 3.904 4.004 0.004 6 0 "[ . 1 . 2]" 1
9 1 15 CYS SG 1 35 HIS NE2 . 3.200 4.000 3.923 3.732 3.997 . 0 0 "[ . 1 . 2]" 1
10 1 18 CYS SG 1 31 HIS NE2 . 3.200 4.000 3.337 3.202 3.427 . 0 0 "[ . 1 . 2]" 1
11 1 18 CYS SG 1 35 HIS NE2 . 3.200 4.000 3.778 3.735 3.831 . 0 0 "[ . 1 . 2]" 1
12 1 31 HIS NE2 1 35 HIS NE2 . 3.200 4.000 3.931 3.806 3.999 . 0 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 930
_Distance_constraint_stats_list.Viol_count 765
_Distance_constraint_stats_list.Viol_total 252.421
_Distance_constraint_stats_list.Viol_max 0.195
_Distance_constraint_stats_list.Viol_rms 0.0055
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0007
_Distance_constraint_stats_list.Viol_average_violations_only 0.0165
_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 7 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 LYS 0.280 0.086 12 0 "[ . 1 . 2]"
1 10 GLU 1.866 0.082 19 0 "[ . 1 . 2]"
1 11 LYS 0.691 0.195 20 0 "[ . 1 . 2]"
1 12 PRO 2.319 0.195 20 0 "[ . 1 . 2]"
1 13 TYR 0.884 0.038 12 0 "[ . 1 . 2]"
1 14 LYS 0.619 0.038 12 0 "[ . 1 . 2]"
1 15 CYS 0.662 0.041 13 0 "[ . 1 . 2]"
1 16 TYR 0.093 0.012 12 0 "[ . 1 . 2]"
1 17 GLU 0.166 0.015 5 0 "[ . 1 . 2]"
1 18 CYS 0.309 0.028 18 0 "[ . 1 . 2]"
1 19 GLY 0.017 0.008 12 0 "[ . 1 . 2]"
1 20 LYS 0.757 0.063 18 0 "[ . 1 . 2]"
1 21 ALA 2.547 0.095 20 0 "[ . 1 . 2]"
1 22 PHE 2.929 0.095 20 0 "[ . 1 . 2]"
1 23 ARG 1.339 0.078 13 0 "[ . 1 . 2]"
1 24 THR 0.336 0.063 13 0 "[ . 1 . 2]"
1 25 ARG 1.012 0.137 18 0 "[ . 1 . 2]"
1 26 SER 0.056 0.011 8 0 "[ . 1 . 2]"
1 27 ASN 0.098 0.017 14 0 "[ . 1 . 2]"
1 28 LEU 0.943 0.027 18 0 "[ . 1 . 2]"
1 29 THR 0.413 0.027 18 0 "[ . 1 . 2]"
1 30 THR 0.088 0.018 19 0 "[ . 1 . 2]"
1 31 HIS 1.750 0.063 18 0 "[ . 1 . 2]"
1 32 GLN 0.644 0.033 18 0 "[ . 1 . 2]"
1 33 VAL 0.506 0.031 13 0 "[ . 1 . 2]"
1 34 ILE 0.877 0.032 5 0 "[ . 1 . 2]"
1 35 HIS 0.351 0.018 13 0 "[ . 1 . 2]"
1 36 THR 0.101 0.018 13 0 "[ . 1 . 2]"
1 37 GLY 0.011 0.009 8 0 "[ . 1 . 2]"
1 38 GLU 0.013 0.009 8 0 "[ . 1 . 2]"
1 39 LYS 0.070 0.052 19 0 "[ . 1 . 2]"
1 40 ARG 0.018 0.014 19 0 "[ . 1 . 2]"
1 42 GLY 0.017 0.017 8 0 "[ . 1 . 2]"
1 43 PRO 0.017 0.017 8 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 29 THR H 1 32 GLN H . . 5.230 4.594 4.563 4.616 . 0 0 "[ . 1 . 2]" 2
2 1 31 HIS HB3 1 32 GLN H . . 3.490 2.982 2.925 3.025 . 0 0 "[ . 1 . 2]" 2
3 1 29 THR MG 1 32 GLN H . . 4.380 4.071 3.993 4.145 . 0 0 "[ . 1 . 2]" 2
4 1 21 ALA H 1 22 PHE H . . 4.490 4.427 4.416 4.438 . 0 0 "[ . 1 . 2]" 2
5 1 31 HIS H 1 32 GLN H . . 3.370 2.239 2.194 2.285 . 0 0 "[ . 1 . 2]" 2
6 1 31 HIS HD2 1 32 GLN H . . 3.890 3.282 3.227 3.341 . 0 0 "[ . 1 . 2]" 2
7 1 32 GLN H 1 32 GLN HG3 . . 3.370 2.570 2.544 2.611 . 0 0 "[ . 1 . 2]" 2
8 1 32 GLN H 1 32 GLN HB2 . . 3.260 2.410 2.385 2.426 . 0 0 "[ . 1 . 2]" 2
9 1 32 GLN H 1 32 GLN HB3 . . 3.710 3.578 3.574 3.582 . 0 0 "[ . 1 . 2]" 2
10 1 32 GLN H 1 33 VAL HB . . 5.190 5.148 5.113 5.193 0.003 7 0 "[ . 1 . 2]" 2
11 1 28 LEU HG 1 32 GLN H . . 4.820 4.454 4.314 4.613 . 0 0 "[ . 1 . 2]" 2
12 1 28 LEU MD1 1 32 GLN H . . 3.800 3.567 3.453 3.657 . 0 0 "[ . 1 . 2]" 2
13 1 19 GLY H 1 20 LYS H . . 3.510 1.875 1.815 2.003 . 0 0 "[ . 1 . 2]" 2
14 1 20 LYS H 1 22 PHE HZ . . 5.500 5.326 5.177 5.410 . 0 0 "[ . 1 . 2]" 2
15 1 20 LYS QE 1 21 ALA H . . 4.760 4.100 3.153 4.765 0.005 17 0 "[ . 1 . 2]" 2
16 1 20 LYS QD 1 21 ALA H . . 3.550 2.760 2.649 2.911 . 0 0 "[ . 1 . 2]" 2
17 1 20 LYS HB3 1 21 ALA H . . 3.730 2.024 1.926 2.112 . 0 0 "[ . 1 . 2]" 2
18 1 21 ALA H 1 21 ALA MB . . 2.970 2.563 2.523 2.599 . 0 0 "[ . 1 . 2]" 2
19 1 15 CYS H 1 20 LYS H . . 4.320 3.301 3.227 3.403 . 0 0 "[ . 1 . 2]" 2
20 1 21 ALA H 1 22 PHE QD . . 4.940 4.157 4.111 4.204 . 0 0 "[ . 1 . 2]" 2
21 1 20 LYS H 1 22 PHE QE . . 4.300 4.265 4.171 4.307 0.007 18 0 "[ . 1 . 2]" 2
22 1 15 CYS HA 1 20 LYS H . . 5.130 4.744 4.717 4.789 . 0 0 "[ . 1 . 2]" 2
23 1 15 CYS HB3 1 20 LYS H . . 3.440 1.896 1.888 1.949 . 0 0 "[ . 1 . 2]" 2
24 1 20 LYS H 1 20 LYS QE . . 5.390 5.104 4.921 5.390 . 0 0 "[ . 1 . 2]" 2
25 1 15 CYS HB2 1 20 LYS H . . 3.830 3.412 3.352 3.483 . 0 0 "[ . 1 . 2]" 2
26 1 20 LYS H 1 20 LYS HG3 . . 4.060 3.621 3.476 3.759 . 0 0 "[ . 1 . 2]" 2
27 1 20 LYS H 1 20 LYS HB2 . . 3.480 2.248 2.203 2.303 . 0 0 "[ . 1 . 2]" 2
28 1 20 LYS H 1 28 LEU MD1 . . 5.110 4.961 4.909 5.011 . 0 0 "[ . 1 . 2]" 2
29 1 15 CYS H 1 19 GLY H . . 4.520 4.078 4.041 4.173 . 0 0 "[ . 1 . 2]" 2
30 1 15 CYS HB2 1 19 GLY H . . 4.130 4.061 4.029 4.104 . 0 0 "[ . 1 . 2]" 2
31 1 17 GLU H 1 19 GLY H . . 3.860 3.732 3.271 3.845 . 0 0 "[ . 1 . 2]" 2
32 1 15 CYS HA 1 19 GLY H . . 5.120 4.572 4.480 4.675 . 0 0 "[ . 1 . 2]" 2
33 1 15 CYS HB3 1 19 GLY H . . 3.670 2.316 2.279 2.382 . 0 0 "[ . 1 . 2]" 2
34 1 38 GLU HB2 1 39 LYS H . . 5.140 3.957 2.343 4.659 . 0 0 "[ . 1 . 2]" 2
35 1 38 GLU HB3 1 39 LYS H . . 5.140 3.614 2.093 4.634 . 0 0 "[ . 1 . 2]" 2
36 1 17 GLU HB2 1 19 GLY H . . 4.500 4.259 4.168 4.343 . 0 0 "[ . 1 . 2]" 2
37 1 19 GLY H 1 20 LYS HB2 . . 4.190 3.824 3.753 3.906 . 0 0 "[ . 1 . 2]" 2
38 1 14 LYS HG2 1 19 GLY H . . 5.010 4.903 4.799 5.015 0.005 12 0 "[ . 1 . 2]" 2
39 1 14 LYS HG3 1 19 GLY H . . 5.240 4.402 4.299 4.458 . 0 0 "[ . 1 . 2]" 2
40 1 39 LYS H 1 39 LYS QG . . 4.610 3.459 1.983 4.206 . 0 0 "[ . 1 . 2]" 2
41 1 28 LEU H 1 29 THR H . . 3.230 2.659 2.595 2.685 . 0 0 "[ . 1 . 2]" 2
42 1 18 CYS H 1 20 LYS H . . 4.000 3.484 3.391 3.554 . 0 0 "[ . 1 . 2]" 2
43 1 13 TYR QD 1 28 LEU H . . 4.850 4.525 4.368 4.731 . 0 0 "[ . 1 . 2]" 2
44 1 15 CYS HA 1 18 CYS H . . 4.870 4.636 4.594 4.737 . 0 0 "[ . 1 . 2]" 2
45 1 22 PHE HB3 1 28 LEU H . . 4.100 3.407 3.302 3.539 . 0 0 "[ . 1 . 2]" 2
46 1 27 ASN HB3 1 28 LEU H . . 3.930 2.929 2.776 3.585 . 0 0 "[ . 1 . 2]" 2
47 1 22 PHE HB2 1 28 LEU H . . 3.800 3.465 3.381 3.560 . 0 0 "[ . 1 . 2]" 2
48 1 28 LEU H 1 28 LEU HG . . 4.260 4.065 4.024 4.123 . 0 0 "[ . 1 . 2]" 2
49 1 28 LEU H 1 28 LEU MD1 . . 4.740 4.271 4.212 4.316 . 0 0 "[ . 1 . 2]" 2
50 1 28 LEU H 1 28 LEU MD2 . . 5.050 4.126 4.079 4.196 . 0 0 "[ . 1 . 2]" 2
51 1 16 TYR H 1 18 CYS H . . 4.860 4.722 4.630 4.800 . 0 0 "[ . 1 . 2]" 2
52 1 18 CYS H 1 19 GLY H . . 2.890 1.994 1.910 2.062 . 0 0 "[ . 1 . 2]" 2
53 1 18 CYS H 1 35 HIS HE1 . . 4.610 4.447 4.213 4.560 . 0 0 "[ . 1 . 2]" 2
54 1 28 LEU H 1 29 THR HA . . 5.230 5.230 5.195 5.246 0.016 19 0 "[ . 1 . 2]" 2
55 1 15 CYS HB3 1 18 CYS H . . 3.500 3.035 2.974 3.084 . 0 0 "[ . 1 . 2]" 2
56 1 28 LEU H 1 28 LEU HB3 . . 3.160 2.161 2.142 2.188 . 0 0 "[ . 1 . 2]" 2
57 1 17 GLU HB2 1 18 CYS H . . 3.490 2.368 2.310 2.490 . 0 0 "[ . 1 . 2]" 2
58 1 28 LEU H 1 28 LEU HB2 . . 3.250 3.019 2.956 3.066 . 0 0 "[ . 1 . 2]" 2
59 1 17 GLU HB3 1 18 CYS H . . 3.710 3.658 3.623 3.722 0.012 12 0 "[ . 1 . 2]" 2
60 1 28 LEU H 1 30 THR H . . 4.420 4.010 3.870 4.122 . 0 0 "[ . 1 . 2]" 2
61 1 18 CYS H 1 18 CYS HB3 . . 3.620 2.988 2.952 3.018 . 0 0 "[ . 1 . 2]" 2
62 1 18 CYS H 1 28 LEU MD1 . . 5.490 5.445 5.396 5.493 0.003 16 0 "[ . 1 . 2]" 2
63 1 16 TYR H 1 32 GLN HE21 . . 5.500 5.026 4.587 5.316 . 0 0 "[ . 1 . 2]" 2
64 1 15 CYS HA 1 16 TYR H . . 3.290 2.161 2.139 2.189 . 0 0 "[ . 1 . 2]" 2
65 1 15 CYS HB3 1 16 TYR H . . 4.840 4.362 4.283 4.402 . 0 0 "[ . 1 . 2]" 2
66 1 16 TYR H 1 16 TYR HB2 . . 3.800 2.689 2.639 2.756 . 0 0 "[ . 1 . 2]" 2
67 1 16 TYR H 1 16 TYR HB3 . . 3.700 3.586 3.567 3.618 . 0 0 "[ . 1 . 2]" 2
68 1 15 CYS HB2 1 16 TYR H . . 4.710 4.461 4.355 4.522 . 0 0 "[ . 1 . 2]" 2
69 1 14 LYS HG2 1 16 TYR H . . 4.630 4.286 4.045 4.632 0.002 12 0 "[ . 1 . 2]" 2
70 1 16 TYR H 1 28 LEU MD1 . . 4.880 4.042 3.863 4.139 . 0 0 "[ . 1 . 2]" 2
71 1 14 LYS QB 1 16 TYR H . . 5.500 5.169 4.951 5.493 . 0 0 "[ . 1 . 2]" 2
72 1 34 ILE H 1 36 THR H . . 5.000 3.925 3.897 3.961 . 0 0 "[ . 1 . 2]" 2
73 1 15 CYS HA 1 32 GLN HE21 . . 4.420 3.899 3.689 4.122 . 0 0 "[ . 1 . 2]" 2
74 1 15 CYS HA 1 32 GLN HE22 . . 4.550 4.007 3.825 4.129 . 0 0 "[ . 1 . 2]" 2
75 1 33 VAL HA 1 36 THR H . . 4.290 3.042 2.964 3.195 . 0 0 "[ . 1 . 2]" 2
76 1 35 HIS HB2 1 36 THR H . . 4.190 3.237 3.117 3.430 . 0 0 "[ . 1 . 2]" 2
77 1 32 GLN HE21 1 32 GLN HG2 . . 3.380 3.144 3.063 3.242 . 0 0 "[ . 1 . 2]" 2
78 1 32 GLN HB2 1 32 GLN HE22 . . 4.790 4.558 4.469 4.626 . 0 0 "[ . 1 . 2]" 2
79 1 32 GLN HB3 1 32 GLN HE21 . . 4.470 4.145 4.031 4.218 . 0 0 "[ . 1 . 2]" 2
80 1 32 GLN HB3 1 32 GLN HE22 . . 4.900 4.345 4.278 4.388 . 0 0 "[ . 1 . 2]" 2
81 1 34 ILE HB 1 36 THR H . . 5.500 5.457 5.366 5.501 0.001 16 0 "[ . 1 . 2]" 2
82 1 28 LEU HG 1 32 GLN HE21 . . 4.740 1.895 1.887 1.901 . 0 0 "[ . 1 . 2]" 2
83 1 28 LEU HG 1 32 GLN HE22 . . 4.670 3.519 3.477 3.550 . 0 0 "[ . 1 . 2]" 2
84 1 32 GLN HA 1 32 GLN HE21 . . 5.230 5.196 5.173 5.211 . 0 0 "[ . 1 . 2]" 2
85 1 35 HIS HB3 1 36 THR H . . 4.320 4.178 4.115 4.271 . 0 0 "[ . 1 . 2]" 2
86 1 36 THR H 1 36 THR MG . . 3.630 2.275 1.986 2.463 . 0 0 "[ . 1 . 2]" 2
87 1 33 VAL MG1 1 36 THR H . . 4.780 3.925 3.826 3.989 . 0 0 "[ . 1 . 2]" 2
88 1 34 ILE HG13 1 36 THR H . . 5.120 4.738 4.687 4.806 . 0 0 "[ . 1 . 2]" 2
89 1 36 THR H 1 37 GLY H . . 4.610 4.118 3.047 4.593 . 0 0 "[ . 1 . 2]" 2
90 1 32 GLN HA 1 36 THR H . . 5.260 5.064 4.923 5.271 0.011 8 0 "[ . 1 . 2]" 2
91 1 29 THR MG 1 32 GLN HE21 . . 5.140 4.833 4.562 5.136 . 0 0 "[ . 1 . 2]" 2
92 1 16 TYR H 1 17 GLU H . . 3.620 2.615 2.543 2.729 . 0 0 "[ . 1 . 2]" 2
93 1 16 TYR QD 1 17 GLU H . . 4.760 4.546 4.506 4.691 . 0 0 "[ . 1 . 2]" 2
94 1 17 GLU H 1 19 GLY HA2 . . 5.220 5.078 4.718 5.145 . 0 0 "[ . 1 . 2]" 2
95 1 15 CYS HB2 1 17 GLU H . . 4.870 4.420 4.230 4.454 . 0 0 "[ . 1 . 2]" 2
96 1 17 GLU H 1 32 GLN HG2 . . 5.380 4.666 4.592 4.753 . 0 0 "[ . 1 . 2]" 2
97 1 17 GLU H 1 17 GLU HB2 . . 3.150 2.673 2.643 2.688 . 0 0 "[ . 1 . 2]" 2
98 1 29 THR H 1 31 HIS H . . 4.480 4.163 4.099 4.230 . 0 0 "[ . 1 . 2]" 2
99 1 30 THR H 1 31 HIS H . . 3.240 2.838 2.794 2.883 . 0 0 "[ . 1 . 2]" 2
100 1 17 GLU H 1 18 CYS H . . 3.170 2.576 2.175 2.629 . 0 0 "[ . 1 . 2]" 2
101 1 17 GLU H 1 32 GLN HE22 . . 5.450 5.260 5.112 5.459 0.009 12 0 "[ . 1 . 2]" 2
102 1 31 HIS H 1 33 VAL H . . 4.550 3.822 3.773 3.891 . 0 0 "[ . 1 . 2]" 2
103 1 31 HIS H 1 31 HIS HD2 . . 4.280 4.297 4.279 4.310 0.030 19 0 "[ . 1 . 2]" 2
104 1 15 CYS HA 1 17 GLU H . . 4.010 3.319 3.254 3.465 . 0 0 "[ . 1 . 2]" 2
105 1 27 ASN HA 1 31 HIS H . . 5.100 4.987 4.913 5.100 0.000 1 0 "[ . 1 . 2]" 2
106 1 30 THR HB 1 31 HIS H . . 3.400 2.978 2.884 3.052 . 0 0 "[ . 1 . 2]" 2
107 1 31 HIS H 1 32 GLN HA . . 5.140 4.890 4.851 4.927 . 0 0 "[ . 1 . 2]" 2
108 1 15 CYS HB3 1 17 GLU H . . 4.280 3.778 3.386 3.828 . 0 0 "[ . 1 . 2]" 2
109 1 28 LEU HA 1 31 HIS H . . 4.030 3.744 3.690 3.866 . 0 0 "[ . 1 . 2]" 2
110 1 31 HIS H 1 31 HIS HB3 . . 3.020 2.227 2.208 2.247 . 0 0 "[ . 1 . 2]" 2
111 1 31 HIS H 1 32 GLN HG3 . . 4.200 4.168 4.111 4.206 0.006 5 0 "[ . 1 . 2]" 2
112 1 28 LEU MD1 1 31 HIS H . . 4.490 4.140 4.080 4.216 . 0 0 "[ . 1 . 2]" 2
113 1 17 GLU H 1 20 LYS H . . 5.100 5.058 4.645 5.107 0.007 13 0 "[ . 1 . 2]" 2
114 1 11 LYS HA 1 23 ARG H . . 5.500 3.302 3.181 3.808 . 0 0 "[ . 1 . 2]" 2
115 1 22 PHE HB2 1 23 ARG H . . 4.850 3.780 3.528 3.931 . 0 0 "[ . 1 . 2]" 2
116 1 28 LEU HG 1 31 HIS H . . 5.350 4.985 4.802 5.183 . 0 0 "[ . 1 . 2]" 2
117 1 30 THR MG 1 31 HIS H . . 3.680 3.384 3.337 3.447 . 0 0 "[ . 1 . 2]" 2
118 1 17 GLU H 1 28 LEU MD1 . . 4.920 4.682 4.630 4.739 . 0 0 "[ . 1 . 2]" 2
119 1 37 GLY QA 1 38 GLU H . . 3.530 2.233 2.111 2.724 . 0 0 "[ . 1 . 2]" 2
120 1 22 PHE HB3 1 23 ARG H . . 4.720 2.843 2.592 3.022 . 0 0 "[ . 1 . 2]" 2
121 1 38 GLU H 1 38 GLU HB2 . . 4.100 2.950 2.262 3.930 . 0 0 "[ . 1 . 2]" 2
122 1 38 GLU H 1 38 GLU HB3 . . 4.100 3.128 2.697 4.096 . 0 0 "[ . 1 . 2]" 2
123 1 23 ARG H 1 23 ARG HG2 . . 5.500 3.126 2.877 3.783 . 0 0 "[ . 1 . 2]" 2
124 1 23 ARG H 1 23 ARG HG3 . . 5.500 2.405 2.069 3.729 . 0 0 "[ . 1 . 2]" 2
125 1 37 GLY H 1 38 GLU H . . 4.600 3.736 2.182 4.566 . 0 0 "[ . 1 . 2]" 2
126 1 38 GLU H 1 39 LYS H . . 5.050 3.569 1.956 4.581 . 0 0 "[ . 1 . 2]" 2
127 1 10 GLU H 1 10 GLU QG . . 4.530 3.111 2.513 4.242 . 0 0 "[ . 1 . 2]" 2
128 1 9 LYS HG2 1 10 GLU H . . 5.500 4.217 1.888 5.502 0.002 11 0 "[ . 1 . 2]" 2
129 1 9 LYS HG3 1 10 GLU H . . 5.500 4.395 2.596 5.350 . 0 0 "[ . 1 . 2]" 2
130 1 23 ARG H 1 24 THR H . . 4.160 2.740 2.625 2.836 . 0 0 "[ . 1 . 2]" 2
131 1 24 THR H 1 25 ARG H . . 4.670 4.455 4.393 4.544 . 0 0 "[ . 1 . 2]" 2
132 1 22 PHE HB2 1 24 THR H . . 4.600 4.155 3.851 4.341 . 0 0 "[ . 1 . 2]" 2
133 1 24 THR H 1 27 ASN H . . 4.310 4.056 3.925 4.203 . 0 0 "[ . 1 . 2]" 2
134 1 22 PHE HB3 1 24 THR H . . 3.730 3.456 3.190 3.671 . 0 0 "[ . 1 . 2]" 2
135 1 23 ARG HB2 1 24 THR H . . 4.070 2.326 2.152 2.677 . 0 0 "[ . 1 . 2]" 2
136 1 23 ARG HB3 1 24 THR H . . 4.070 3.398 3.112 3.856 . 0 0 "[ . 1 . 2]" 2
137 1 27 ASN H 1 29 THR H . . 4.820 4.536 4.350 4.674 . 0 0 "[ . 1 . 2]" 2
138 1 27 ASN H 1 28 LEU H . . 3.470 2.582 2.509 2.647 . 0 0 "[ . 1 . 2]" 2
139 1 24 THR MG 1 27 ASN H . . 4.550 4.334 4.139 4.485 . 0 0 "[ . 1 . 2]" 2
140 1 11 LYS H 1 11 LYS HB2 . . 3.800 3.578 3.425 3.761 . 0 0 "[ . 1 . 2]" 2
141 1 10 GLU H 1 11 LYS H . . 4.670 4.394 3.906 4.574 . 0 0 "[ . 1 . 2]" 2
142 1 11 LYS H 1 23 ARG HA . . 4.710 2.493 1.933 2.964 . 0 0 "[ . 1 . 2]" 2
143 1 10 GLU HA 1 11 LYS H . . 3.310 2.322 2.138 2.653 . 0 0 "[ . 1 . 2]" 2
144 1 11 LYS H 1 11 LYS HG3 . . 4.740 3.240 2.962 4.024 . 0 0 "[ . 1 . 2]" 2
145 1 11 LYS H 1 21 ALA MB . . 5.500 5.408 5.349 5.482 . 0 0 "[ . 1 . 2]" 2
146 1 11 LYS H 1 11 LYS HG2 . . 4.540 2.655 2.393 2.941 . 0 0 "[ . 1 . 2]" 2
147 1 11 LYS H 1 12 PRO HD3 . . 4.690 2.502 2.139 2.703 . 0 0 "[ . 1 . 2]" 2
148 1 36 THR MG 1 37 GLY H . . 5.060 4.155 3.806 4.362 . 0 0 "[ . 1 . 2]" 2
149 1 12 PRO HG3 1 13 TYR H . . 4.240 3.914 3.865 4.002 . 0 0 "[ . 1 . 2]" 2
150 1 11 LYS HB3 1 13 TYR H . . 4.880 4.739 4.591 4.887 0.007 17 0 "[ . 1 . 2]" 2
151 1 13 TYR H 1 22 PHE H . . 3.730 3.465 3.391 3.530 . 0 0 "[ . 1 . 2]" 2
152 1 13 TYR H 1 22 PHE QD . . 5.500 5.406 5.321 5.455 . 0 0 "[ . 1 . 2]" 2
153 1 13 TYR H 1 13 TYR QD . . 3.280 2.293 2.216 2.380 . 0 0 "[ . 1 . 2]" 2
154 1 13 TYR H 1 21 ALA HA . . 5.230 5.167 5.089 5.227 . 0 0 "[ . 1 . 2]" 2
155 1 12 PRO HD2 1 13 TYR H . . 3.650 2.650 2.646 2.662 . 0 0 "[ . 1 . 2]" 2
156 1 13 TYR H 1 13 TYR HB3 . . 3.720 3.555 3.552 3.561 . 0 0 "[ . 1 . 2]" 2
157 1 13 TYR H 1 13 TYR HB2 . . 3.190 2.287 2.280 2.303 . 0 0 "[ . 1 . 2]" 2
158 1 12 PRO HB2 1 13 TYR H . . 4.080 3.369 3.316 3.459 . 0 0 "[ . 1 . 2]" 2
159 1 12 PRO HG2 1 13 TYR H . . 3.880 2.415 2.347 2.532 . 0 0 "[ . 1 . 2]" 2
160 1 32 GLN H 1 33 VAL H . . 3.430 2.678 2.653 2.709 . 0 0 "[ . 1 . 2]" 2
161 1 33 VAL H 1 35 HIS H . . 4.330 4.238 4.194 4.286 . 0 0 "[ . 1 . 2]" 2
162 1 32 GLN HG3 1 33 VAL H . . 5.280 4.766 4.727 4.809 . 0 0 "[ . 1 . 2]" 2
163 1 32 GLN HG2 1 33 VAL H . . 5.500 4.949 4.928 4.970 . 0 0 "[ . 1 . 2]" 2
164 1 32 GLN HB3 1 33 VAL H . . 4.250 3.981 3.907 4.045 . 0 0 "[ . 1 . 2]" 2
165 1 33 VAL H 1 34 ILE MD . . 5.160 5.167 5.130 5.182 0.022 13 0 "[ . 1 . 2]" 2
166 1 28 LEU HA 1 30 THR H . . 4.840 4.626 4.509 4.744 . 0 0 "[ . 1 . 2]" 2
167 1 31 HIS HB3 1 33 VAL H . . 5.100 4.965 4.915 5.019 . 0 0 "[ . 1 . 2]" 2
168 1 32 GLN HB2 1 33 VAL H . . 4.100 3.197 3.112 3.291 . 0 0 "[ . 1 . 2]" 2
169 1 35 HIS H 1 36 THR H . . 3.370 2.261 2.219 2.284 . 0 0 "[ . 1 . 2]" 2
170 1 15 CYS H 1 21 ALA H . . 4.690 4.310 4.260 4.349 . 0 0 "[ . 1 . 2]" 2
171 1 34 ILE H 1 35 HIS H . . 3.270 2.690 2.597 2.780 . 0 0 "[ . 1 . 2]" 2
172 1 15 CYS H 1 22 PHE QD . . 4.260 3.710 3.592 3.805 . 0 0 "[ . 1 . 2]" 2
173 1 15 CYS H 1 22 PHE QE . . 3.950 3.246 3.168 3.338 . 0 0 "[ . 1 . 2]" 2
174 1 15 CYS H 1 21 ALA HA . . 3.640 3.194 3.116 3.230 . 0 0 "[ . 1 . 2]" 2
175 1 29 THR HB 1 30 THR H . . 3.270 2.499 2.414 2.583 . 0 0 "[ . 1 . 2]" 2
176 1 30 THR H 1 30 THR HB . . 3.040 2.444 2.415 2.482 . 0 0 "[ . 1 . 2]" 2
177 1 35 HIS H 1 35 HIS HB2 . . 3.460 2.555 2.545 2.576 . 0 0 "[ . 1 . 2]" 2
178 1 30 THR H 1 31 HIS HB3 . . 4.960 4.839 4.791 4.891 . 0 0 "[ . 1 . 2]" 2
179 1 34 ILE HB 1 35 HIS H . . 4.180 3.978 3.903 4.051 . 0 0 "[ . 1 . 2]" 2
180 1 14 LYS QB 1 15 CYS H . . 3.720 3.682 3.622 3.728 0.008 1 0 "[ . 1 . 2]" 2
181 1 28 LEU HG 1 30 THR H . . 5.360 4.980 4.852 5.237 . 0 0 "[ . 1 . 2]" 2
182 1 29 THR MG 1 30 THR H . . 3.220 3.150 2.987 3.238 0.018 19 0 "[ . 1 . 2]" 2
183 1 14 LYS HG2 1 15 CYS H . . 3.880 3.512 3.431 3.660 . 0 0 "[ . 1 . 2]" 2
184 1 34 ILE HG12 1 35 HIS H . . 4.070 2.484 2.369 2.641 . 0 0 "[ . 1 . 2]" 2
185 1 34 ILE HG13 1 35 HIS H . . 3.760 2.673 2.552 2.808 . 0 0 "[ . 1 . 2]" 2
186 1 35 HIS H 1 35 HIS HD2 . . 3.870 3.195 3.148 3.261 . 0 0 "[ . 1 . 2]" 2
187 1 32 GLN HB2 1 35 HIS H . . 5.500 5.333 5.265 5.393 . 0 0 "[ . 1 . 2]" 2
188 1 15 CYS H 1 20 LYS HA . . 4.950 4.343 4.307 4.392 . 0 0 "[ . 1 . 2]" 2
189 1 34 ILE H 1 34 ILE HG12 . . 3.410 2.240 2.153 2.290 . 0 0 "[ . 1 . 2]" 2
190 1 33 VAL H 1 34 ILE H . . 3.360 2.775 2.704 2.866 . 0 0 "[ . 1 . 2]" 2
191 1 34 ILE H 1 35 HIS HD2 . . 4.800 4.615 4.462 4.728 . 0 0 "[ . 1 . 2]" 2
192 1 32 GLN HB3 1 34 ILE H . . 5.490 5.278 5.121 5.353 . 0 0 "[ . 1 . 2]" 2
193 1 34 ILE H 1 36 THR MG . . 5.020 4.454 4.151 4.624 . 0 0 "[ . 1 . 2]" 2
194 1 32 GLN H 1 34 ILE H . . 4.720 4.590 4.512 4.658 . 0 0 "[ . 1 . 2]" 2
195 1 14 LYS H 1 21 ALA HA . . 4.610 4.563 4.472 4.610 . 0 0 "[ . 1 . 2]" 2
196 1 14 LYS H 1 15 CYS H . . 4.610 4.440 4.374 4.505 . 0 0 "[ . 1 . 2]" 2
197 1 13 TYR H 1 14 LYS H . . 4.420 4.406 4.300 4.458 0.038 1 0 "[ . 1 . 2]" 2
198 1 13 TYR HA 1 14 LYS H . . 2.770 2.143 2.137 2.169 . 0 0 "[ . 1 . 2]" 2
199 1 13 TYR HB3 1 14 LYS H . . 3.900 3.624 3.518 3.811 . 0 0 "[ . 1 . 2]" 2
200 1 13 TYR HB2 1 14 LYS H . . 4.480 4.458 4.418 4.518 0.038 12 0 "[ . 1 . 2]" 2
201 1 14 LYS H 1 14 LYS QB . . 2.950 2.347 2.286 2.383 . 0 0 "[ . 1 . 2]" 2
202 1 14 LYS H 1 21 ALA MB . . 5.230 5.169 5.012 5.233 0.003 18 0 "[ . 1 . 2]" 2
203 1 14 LYS H 1 28 LEU MD2 . . 3.950 3.863 3.663 3.967 0.017 8 0 "[ . 1 . 2]" 2
204 1 14 LYS H 1 14 LYS HG3 . . 4.670 4.552 4.495 4.577 . 0 0 "[ . 1 . 2]" 2
205 1 29 THR H 1 30 THR H . . 3.380 2.887 2.804 2.963 . 0 0 "[ . 1 . 2]" 2
206 1 29 THR H 1 32 GLN HE21 . . 5.200 4.124 3.970 4.402 . 0 0 "[ . 1 . 2]" 2
207 1 29 THR H 1 29 THR HB . . 3.150 2.487 2.365 2.558 . 0 0 "[ . 1 . 2]" 2
208 1 28 LEU HB3 1 29 THR H . . 3.390 2.495 2.431 2.570 . 0 0 "[ . 1 . 2]" 2
209 1 27 ASN HA 1 29 THR H . . 5.230 5.117 4.852 5.238 0.008 10 0 "[ . 1 . 2]" 2
210 1 29 THR H 1 32 GLN HG3 . . 4.950 4.013 3.922 4.144 . 0 0 "[ . 1 . 2]" 2
211 1 15 CYS H 1 22 PHE H . . 5.150 5.112 5.051 5.152 0.002 14 0 "[ . 1 . 2]" 2
212 1 22 PHE H 1 22 PHE QE . . 5.010 4.990 4.910 5.020 0.010 7 0 "[ . 1 . 2]" 2
213 1 21 ALA HA 1 22 PHE H . . 2.960 2.349 2.335 2.370 . 0 0 "[ . 1 . 2]" 2
214 1 11 LYS HA 1 22 PHE H . . 4.380 3.324 3.121 3.468 . 0 0 "[ . 1 . 2]" 2
215 1 13 TYR HB2 1 22 PHE H . . 3.590 3.302 3.241 3.357 . 0 0 "[ . 1 . 2]" 2
216 1 28 LEU HG 1 29 THR H . . 3.810 2.527 2.397 2.823 . 0 0 "[ . 1 . 2]" 2
217 1 13 TYR QD 1 22 PHE H . . 5.500 5.159 5.090 5.214 . 0 0 "[ . 1 . 2]" 2
218 1 13 TYR QD 1 29 THR H . . 5.500 4.932 4.774 5.059 . 0 0 "[ . 1 . 2]" 2
219 1 24 THR HB 1 25 ARG H . . 3.330 2.185 2.008 2.660 . 0 0 "[ . 1 . 2]" 2
220 1 25 ARG H 1 25 ARG HB3 . . 3.430 2.645 2.350 2.900 . 0 0 "[ . 1 . 2]" 2
221 1 25 ARG H 1 25 ARG HB2 . . 3.190 2.465 2.208 2.779 . 0 0 "[ . 1 . 2]" 2
222 1 25 ARG H 1 28 LEU H . . 5.500 4.702 4.652 4.770 . 0 0 "[ . 1 . 2]" 2
223 1 17 GLU H 1 35 HIS HD2 . . 4.920 4.866 4.808 4.909 . 0 0 "[ . 1 . 2]" 2
224 1 32 GLN H 1 35 HIS HD2 . . 5.070 4.804 4.759 4.868 . 0 0 "[ . 1 . 2]" 2
225 1 18 CYS H 1 35 HIS HD2 . . 4.580 4.570 4.523 4.587 0.007 12 0 "[ . 1 . 2]" 2
226 1 35 HIS HA 1 35 HIS HD2 . . 4.860 4.633 4.616 4.642 . 0 0 "[ . 1 . 2]" 2
227 1 35 HIS HB2 1 35 HIS HD2 . . 3.550 2.700 2.697 2.704 . 0 0 "[ . 1 . 2]" 2
228 1 35 HIS HB3 1 35 HIS HD2 . . 3.950 3.756 3.747 3.768 . 0 0 "[ . 1 . 2]" 2
229 1 32 GLN HG2 1 35 HIS HD2 . . 3.660 3.217 3.076 3.316 . 0 0 "[ . 1 . 2]" 2
230 1 32 GLN HB3 1 35 HIS HD2 . . 4.270 3.501 3.417 3.572 . 0 0 "[ . 1 . 2]" 2
231 1 17 GLU HB3 1 35 HIS HD2 . . 3.910 3.285 3.193 3.363 . 0 0 "[ . 1 . 2]" 2
232 1 28 LEU MD1 1 35 HIS HD2 . . 5.140 5.100 4.932 5.154 0.014 13 0 "[ . 1 . 2]" 2
233 1 34 ILE HG13 1 35 HIS HD2 . . 4.860 3.487 3.411 3.568 . 0 0 "[ . 1 . 2]" 2
234 1 18 CYS H 1 19 GLY HA2 . . 4.310 4.203 4.167 4.238 . 0 0 "[ . 1 . 2]" 2
235 1 18 CYS H 1 19 GLY HA3 . . 4.840 4.673 4.637 4.713 . 0 0 "[ . 1 . 2]" 2
236 1 18 CYS HA 1 19 GLY HA3 . . 4.620 4.537 4.519 4.547 . 0 0 "[ . 1 . 2]" 2
237 1 15 CYS HB3 1 19 GLY HA3 . . 5.360 4.780 4.730 4.826 . 0 0 "[ . 1 . 2]" 2
238 1 18 CYS HB2 1 19 GLY HA3 . . 5.500 4.754 4.707 4.837 . 0 0 "[ . 1 . 2]" 2
239 1 14 LYS QD 1 19 GLY HA3 . . 4.760 4.575 4.491 4.653 . 0 0 "[ . 1 . 2]" 2
240 1 14 LYS QD 1 19 GLY HA2 . . 4.060 3.779 3.711 3.855 . 0 0 "[ . 1 . 2]" 2
241 1 14 LYS HG2 1 19 GLY HA3 . . 5.070 4.865 4.725 5.067 . 0 0 "[ . 1 . 2]" 2
242 1 14 LYS HG2 1 19 GLY HA2 . . 4.390 3.230 3.106 3.420 . 0 0 "[ . 1 . 2]" 2
243 1 14 LYS HG3 1 19 GLY HA3 . . 5.050 4.216 4.091 4.314 . 0 0 "[ . 1 . 2]" 2
244 1 15 CYS H 1 31 HIS HD2 . . 5.500 5.341 5.261 5.401 . 0 0 "[ . 1 . 2]" 2
245 1 18 CYS H 1 31 HIS HD2 . . 5.500 5.500 5.438 5.528 0.028 18 0 "[ . 1 . 2]" 2
246 1 31 HIS HD2 1 32 GLN HE21 . . 5.500 5.161 5.039 5.288 . 0 0 "[ . 1 . 2]" 2
247 1 22 PHE HZ 1 31 HIS HD2 . . 4.540 2.711 2.622 2.821 . 0 0 "[ . 1 . 2]" 2
248 1 15 CYS HA 1 31 HIS HD2 . . 5.310 4.964 4.868 5.009 . 0 0 "[ . 1 . 2]" 2
249 1 31 HIS HA 1 31 HIS HD2 . . 4.720 4.586 4.568 4.611 . 0 0 "[ . 1 . 2]" 2
250 1 29 THR HA 1 31 HIS HD2 . . 5.500 5.384 5.312 5.467 . 0 0 "[ . 1 . 2]" 2
251 1 31 HIS HD2 1 32 GLN HA . . 3.550 3.144 3.105 3.191 . 0 0 "[ . 1 . 2]" 2
252 1 15 CYS HB3 1 31 HIS HD2 . . 4.100 3.900 3.841 3.961 . 0 0 "[ . 1 . 2]" 2
253 1 28 LEU HA 1 31 HIS HD2 . . 4.370 4.367 4.323 4.390 0.020 13 0 "[ . 1 . 2]" 2
254 1 31 HIS HB3 1 31 HIS HD2 . . 3.620 2.806 2.793 2.815 . 0 0 "[ . 1 . 2]" 2
255 1 15 CYS HB2 1 31 HIS HD2 . . 3.360 2.916 2.839 2.956 . 0 0 "[ . 1 . 2]" 2
256 1 31 HIS HD2 1 32 GLN HG2 . . 3.530 2.806 2.731 2.829 . 0 0 "[ . 1 . 2]" 2
257 1 31 HIS HD2 1 32 GLN HB3 . . 5.000 5.013 4.976 5.033 0.033 18 0 "[ . 1 . 2]" 2
258 1 20 LYS HG3 1 31 HIS HD2 . . 5.500 4.027 3.851 4.238 . 0 0 "[ . 1 . 2]" 2
259 1 20 LYS QD 1 31 HIS HD2 . . 5.500 5.527 5.489 5.563 0.063 18 0 "[ . 1 . 2]" 2
260 1 28 LEU HG 1 31 HIS HD2 . . 5.500 5.167 5.036 5.247 . 0 0 "[ . 1 . 2]" 2
261 1 20 LYS HB2 1 31 HIS HD2 . . 4.510 3.413 3.279 3.516 . 0 0 "[ . 1 . 2]" 2
262 1 28 LEU MD1 1 31 HIS HD2 . . 3.200 2.854 2.774 2.925 . 0 0 "[ . 1 . 2]" 2
263 1 24 THR HB 1 27 ASN H . . 5.070 4.158 4.030 4.297 . 0 0 "[ . 1 . 2]" 2
264 1 13 TYR QE 1 24 THR HB . . 5.500 5.397 5.137 5.520 0.020 14 0 "[ . 1 . 2]" 2
265 1 7 GLY QA 1 8 THR HA . . 4.590 4.001 3.930 4.140 . 0 0 "[ . 1 . 2]" 2
266 1 37 GLY QA 1 38 GLU HA . . 4.190 3.997 3.932 4.187 . 0 0 "[ . 1 . 2]" 2
267 1 24 THR HB 1 25 ARG HB3 . . 4.750 4.411 4.139 4.754 0.004 20 0 "[ . 1 . 2]" 2
268 1 22 PHE H 1 22 PHE HB3 . . 4.080 4.016 4.005 4.022 . 0 0 "[ . 1 . 2]" 2
269 1 22 PHE H 1 22 PHE HB2 . . 3.610 3.093 3.070 3.115 . 0 0 "[ . 1 . 2]" 2
270 1 13 TYR H 1 22 PHE HB2 . . 4.820 4.586 4.503 4.649 . 0 0 "[ . 1 . 2]" 2
271 1 22 PHE HB3 1 27 ASN H . . 4.760 4.485 4.417 4.590 . 0 0 "[ . 1 . 2]" 2
272 1 13 TYR QD 1 22 PHE HB3 . . 5.500 5.512 5.445 5.538 0.038 15 0 "[ . 1 . 2]" 2
273 1 13 TYR QD 1 22 PHE HB2 . . 4.560 4.275 4.216 4.302 . 0 0 "[ . 1 . 2]" 2
274 1 21 ALA HA 1 22 PHE HB3 . . 5.500 5.593 5.588 5.595 0.095 20 0 "[ . 1 . 2]" 2
275 1 11 LYS HA 1 22 PHE HB2 . . 5.500 4.938 4.845 5.132 . 0 0 "[ . 1 . 2]" 2
276 1 22 PHE HB2 1 23 ARG HA . . 5.500 5.109 4.919 5.226 . 0 0 "[ . 1 . 2]" 2
277 1 13 TYR HB3 1 22 PHE HB2 . . 3.560 3.318 3.192 3.418 . 0 0 "[ . 1 . 2]" 2
278 1 22 PHE HB3 1 28 LEU HB2 . . 4.030 3.385 3.263 3.494 . 0 0 "[ . 1 . 2]" 2
279 1 22 PHE HB3 1 28 LEU MD1 . . 5.400 4.754 4.669 4.832 . 0 0 "[ . 1 . 2]" 2
280 1 22 PHE HB2 1 28 LEU MD1 . . 4.150 3.766 3.643 3.880 . 0 0 "[ . 1 . 2]" 2
281 1 22 PHE HB2 1 28 LEU MD2 . . 4.430 3.780 3.714 3.863 . 0 0 "[ . 1 . 2]" 2
282 1 22 PHE HB2 1 28 LEU HG . . 5.200 5.043 4.984 5.114 . 0 0 "[ . 1 . 2]" 2
283 1 33 VAL H 1 34 ILE MG . . 4.330 4.002 3.907 4.114 . 0 0 "[ . 1 . 2]" 2
284 1 33 VAL HB 1 34 ILE MG . . 4.280 3.263 3.247 3.286 . 0 0 "[ . 1 . 2]" 2
285 1 31 HIS HE1 1 34 ILE MG . . 4.220 3.909 3.847 3.983 . 0 0 "[ . 1 . 2]" 2
286 1 34 ILE H 1 34 ILE MG . . 3.040 1.932 1.882 2.017 . 0 0 "[ . 1 . 2]" 2
287 1 34 ILE MG 1 35 HIS H . . 3.930 3.883 3.860 3.933 0.003 8 0 "[ . 1 . 2]" 2
288 1 34 ILE MG 1 35 HIS HD2 . . 5.100 5.093 5.046 5.112 0.012 12 0 "[ . 1 . 2]" 2
289 1 40 ARG HA 1 40 ARG QD . . 4.420 3.330 1.995 4.174 . 0 0 "[ . 1 . 2]" 2
290 1 31 HIS HA 1 34 ILE MG . . 4.030 3.441 3.358 3.527 . 0 0 "[ . 1 . 2]" 2
291 1 32 GLN HA 1 34 ILE MG . . 4.630 4.635 4.599 4.662 0.032 5 0 "[ . 1 . 2]" 2
292 1 23 ARG HB2 1 23 ARG HD3 . . 3.720 3.135 2.619 3.716 . 0 0 "[ . 1 . 2]" 2
293 1 23 ARG HB3 1 23 ARG HD3 . . 3.720 2.341 2.105 3.570 . 0 0 "[ . 1 . 2]" 2
294 1 40 ARG HB2 1 40 ARG QD . . 3.870 2.694 2.146 3.454 . 0 0 "[ . 1 . 2]" 2
295 1 40 ARG HB3 1 40 ARG QD . . 3.870 2.671 2.091 3.451 . 0 0 "[ . 1 . 2]" 2
296 1 23 ARG HD3 1 24 THR MG . . 4.620 4.415 4.110 4.630 0.010 15 0 "[ . 1 . 2]" 2
297 1 33 VAL MG2 1 34 ILE MG . . 4.390 4.356 4.307 4.403 0.013 5 0 "[ . 1 . 2]" 2
298 1 34 ILE HG12 1 34 ILE MG . . 3.030 2.518 2.506 2.530 . 0 0 "[ . 1 . 2]" 2
299 1 36 THR HB 1 37 GLY H . . 4.680 3.528 2.392 4.528 . 0 0 "[ . 1 . 2]" 2
300 1 36 THR H 1 36 THR HB . . 3.880 3.679 3.655 3.706 . 0 0 "[ . 1 . 2]" 2
301 1 13 TYR QE 1 25 ARG HD3 . . 4.990 3.289 1.999 4.365 . 0 0 "[ . 1 . 2]" 2
302 1 13 TYR QE 1 25 ARG HD2 . . 4.990 4.013 3.146 4.772 . 0 0 "[ . 1 . 2]" 2
303 1 36 THR HB 1 37 GLY QA . . 4.780 4.392 4.001 4.781 0.001 10 0 "[ . 1 . 2]" 2
304 1 33 VAL HA 1 36 THR HB . . 4.300 4.027 3.901 4.139 . 0 0 "[ . 1 . 2]" 2
305 1 25 ARG HB3 1 25 ARG HD3 . . 3.790 3.327 2.710 3.701 . 0 0 "[ . 1 . 2]" 2
306 1 25 ARG HB2 1 25 ARG HD2 . . 3.650 3.346 2.988 3.695 0.045 11 0 "[ . 1 . 2]" 2
307 1 25 ARG HB2 1 25 ARG HD3 . . 3.650 3.009 2.346 3.787 0.137 18 0 "[ . 1 . 2]" 2
308 1 39 LYS H 1 39 LYS QE . . 5.500 4.571 1.883 5.552 0.052 19 0 "[ . 1 . 2]" 2
309 1 39 LYS QE 1 40 ARG H . . 5.500 4.633 1.950 5.514 0.014 19 0 "[ . 1 . 2]" 2
310 1 20 LYS QE 1 31 HIS HE1 . . 4.550 3.072 2.517 3.855 . 0 0 "[ . 1 . 2]" 2
311 1 11 LYS HA 1 11 LYS QE . . 4.720 4.650 4.364 4.746 0.026 20 0 "[ . 1 . 2]" 2
312 1 39 LYS HA 1 39 LYS QE . . 4.470 3.724 1.964 4.452 . 0 0 "[ . 1 . 2]" 2
313 1 9 LYS HA 1 9 LYS QE . . 4.670 4.200 1.982 4.690 0.020 12 0 "[ . 1 . 2]" 2
314 1 20 LYS HA 1 20 LYS QE . . 4.310 4.167 3.851 4.342 0.032 9 0 "[ . 1 . 2]" 2
315 1 11 LYS QE 1 23 ARG HD2 . . 5.500 4.671 4.129 5.518 0.018 8 0 "[ . 1 . 2]" 2
316 1 11 LYS QE 1 23 ARG HD3 . . 5.500 5.102 4.644 5.501 0.001 18 0 "[ . 1 . 2]" 2
317 1 10 GLU QG 1 11 LYS QE . . 5.500 4.536 4.029 4.980 . 0 0 "[ . 1 . 2]" 2
318 1 11 LYS QE 1 23 ARG HG2 . . 4.300 3.606 3.052 4.251 . 0 0 "[ . 1 . 2]" 2
319 1 11 LYS QE 1 11 LYS HG3 . . 3.130 2.471 2.197 2.984 . 0 0 "[ . 1 . 2]" 2
320 1 11 LYS QE 1 21 ALA MB . . 4.770 4.548 4.359 4.657 . 0 0 "[ . 1 . 2]" 2
321 1 20 LYS QE 1 20 LYS HG2 . . 3.580 3.034 2.487 3.417 . 0 0 "[ . 1 . 2]" 2
322 1 11 LYS QE 1 11 LYS HG2 . . 3.270 2.478 2.217 2.929 . 0 0 "[ . 1 . 2]" 2
323 1 14 LYS QE 1 15 CYS H . . 4.860 4.666 4.434 4.824 . 0 0 "[ . 1 . 2]" 2
324 1 14 LYS QE 1 19 GLY H . . 4.600 4.366 4.172 4.478 . 0 0 "[ . 1 . 2]" 2
325 1 14 LYS QE 1 19 GLY HA3 . . 3.700 2.840 2.664 3.054 . 0 0 "[ . 1 . 2]" 2
326 1 14 LYS QE 1 19 GLY HA2 . . 3.660 2.079 1.966 2.281 . 0 0 "[ . 1 . 2]" 2
327 1 9 LYS HB2 1 9 LYS QE . . 4.590 3.405 2.171 4.068 . 0 0 "[ . 1 . 2]" 2
328 1 14 LYS QE 1 14 LYS HG2 . . 3.500 2.311 2.167 2.569 . 0 0 "[ . 1 . 2]" 2
329 1 14 LYS QE 1 14 LYS HG3 . . 3.510 2.576 2.536 2.618 . 0 0 "[ . 1 . 2]" 2
330 1 27 ASN HA 1 30 THR HB . . 3.390 2.975 2.870 3.042 . 0 0 "[ . 1 . 2]" 2
331 1 30 THR HB 1 33 VAL MG2 . . 5.130 4.766 4.705 4.807 . 0 0 "[ . 1 . 2]" 2
332 1 29 THR H 1 30 THR HB . . 5.050 4.863 4.766 4.912 . 0 0 "[ . 1 . 2]" 2
333 1 34 ILE MD 1 35 HIS HD2 . . 4.780 3.605 3.535 3.714 . 0 0 "[ . 1 . 2]" 2
334 1 29 THR HB 1 30 THR HB . . 5.160 4.888 4.850 4.940 . 0 0 "[ . 1 . 2]" 2
335 1 30 THR HB 1 31 HIS HA . . 5.490 4.663 4.614 4.704 . 0 0 "[ . 1 . 2]" 2
336 1 31 HIS HE1 1 34 ILE MD . . 3.130 2.212 2.145 2.267 . 0 0 "[ . 1 . 2]" 2
337 1 34 ILE H 1 34 ILE MD . . 3.540 3.559 3.545 3.570 0.030 15 0 "[ . 1 . 2]" 2
338 1 28 LEU H 1 29 THR HB . . 4.680 4.604 4.530 4.682 0.002 18 0 "[ . 1 . 2]" 2
339 1 34 ILE MD 1 35 HIS H . . 4.280 3.970 3.869 4.102 . 0 0 "[ . 1 . 2]" 2
340 1 31 HIS HD2 1 34 ILE MD . . 4.900 4.085 3.995 4.150 . 0 0 "[ . 1 . 2]" 2
341 1 34 ILE MD 1 35 HIS HA . . 4.960 4.873 4.847 4.930 . 0 0 "[ . 1 . 2]" 2
342 1 26 SER HA 1 29 THR HB . . 3.390 2.933 2.873 3.028 . 0 0 "[ . 1 . 2]" 2
343 1 34 ILE HA 1 34 ILE MD . . 4.230 4.174 4.171 4.178 . 0 0 "[ . 1 . 2]" 2
344 1 18 CYS HB2 1 34 ILE MD . . 4.930 4.546 4.406 4.657 . 0 0 "[ . 1 . 2]" 2
345 1 18 CYS HB3 1 34 ILE MD . . 4.600 3.615 3.430 3.738 . 0 0 "[ . 1 . 2]" 2
346 1 34 ILE HB 1 34 ILE MD . . 2.940 2.433 2.420 2.443 . 0 0 "[ . 1 . 2]" 2
347 1 34 ILE MD 1 34 ILE MG . . 2.870 1.885 1.864 1.909 . 0 0 "[ . 1 . 2]" 2
348 1 28 LEU HB3 1 29 THR HA . . 4.730 4.661 4.618 4.696 . 0 0 "[ . 1 . 2]" 2
349 1 28 LEU HB2 1 29 THR H . . 3.980 3.838 3.795 3.922 . 0 0 "[ . 1 . 2]" 2
350 1 22 PHE QD 1 28 LEU HB2 . . 3.480 2.168 2.061 2.366 . 0 0 "[ . 1 . 2]" 2
351 1 22 PHE QE 1 28 LEU HB3 . . 5.500 5.175 5.073 5.284 . 0 0 "[ . 1 . 2]" 2
352 1 22 PHE QE 1 28 LEU HB2 . . 5.020 3.871 3.754 4.051 . 0 0 "[ . 1 . 2]" 2
353 1 13 TYR HA 1 28 LEU HB2 . . 5.500 5.338 5.152 5.501 0.001 17 0 "[ . 1 . 2]" 2
354 1 15 CYS HA 1 28 LEU HB2 . . 5.500 5.386 5.257 5.491 . 0 0 "[ . 1 . 2]" 2
355 1 28 LEU HB3 1 29 THR HB . . 5.180 4.882 4.792 5.000 . 0 0 "[ . 1 . 2]" 2
356 1 22 PHE HB3 1 28 LEU HB3 . . 4.670 4.196 4.073 4.389 . 0 0 "[ . 1 . 2]" 2
357 1 13 TYR HB3 1 28 LEU HB3 . . 3.840 3.469 3.346 3.672 . 0 0 "[ . 1 . 2]" 2
358 1 22 PHE HB2 1 28 LEU HB3 . . 3.810 3.240 3.122 3.433 . 0 0 "[ . 1 . 2]" 2
359 1 22 PHE HB2 1 28 LEU HB2 . . 3.710 2.055 1.993 2.141 . 0 0 "[ . 1 . 2]" 2
360 1 28 LEU HB3 1 28 LEU MD2 . . 3.060 2.278 2.189 2.350 . 0 0 "[ . 1 . 2]" 2
361 1 29 THR HA 1 32 GLN H . . 3.720 2.920 2.869 2.959 . 0 0 "[ . 1 . 2]" 2
362 1 29 THR HA 1 33 VAL H . . 4.880 4.477 4.350 4.595 . 0 0 "[ . 1 . 2]" 2
363 1 29 THR HA 1 32 GLN HG3 . . 3.780 2.317 2.228 2.411 . 0 0 "[ . 1 . 2]" 2
364 1 29 THR HA 1 32 GLN HB2 . . 3.490 2.170 2.121 2.225 . 0 0 "[ . 1 . 2]" 2
365 1 29 THR HA 1 32 GLN HB3 . . 3.810 3.743 3.699 3.785 . 0 0 "[ . 1 . 2]" 2
366 1 28 LEU HG 1 29 THR HA . . 3.940 2.905 2.816 3.073 . 0 0 "[ . 1 . 2]" 2
367 1 28 LEU MD1 1 29 THR HA . . 3.800 3.632 3.576 3.682 . 0 0 "[ . 1 . 2]" 2
368 1 30 THR HA 1 33 VAL HB . . 4.910 4.727 4.614 4.811 . 0 0 "[ . 1 . 2]" 2
369 1 29 THR H 1 30 THR HA . . 5.500 5.431 5.364 5.492 . 0 0 "[ . 1 . 2]" 2
370 1 30 THR HA 1 33 VAL H . . 4.300 4.139 4.083 4.193 . 0 0 "[ . 1 . 2]" 2
371 1 29 THR HB 1 30 THR HA . . 4.390 4.298 4.207 4.399 0.009 7 0 "[ . 1 . 2]" 2
372 1 30 THR HA 1 30 THR MG . . 2.840 2.522 2.504 2.553 . 0 0 "[ . 1 . 2]" 2
373 1 30 THR HA 1 33 VAL MG2 . . 3.320 2.494 2.406 2.560 . 0 0 "[ . 1 . 2]" 2
374 1 13 TYR HB2 1 21 ALA HA . . 5.230 4.959 4.905 5.054 . 0 0 "[ . 1 . 2]" 2
375 1 13 TYR HB2 1 22 PHE HB3 . . 4.430 4.229 4.179 4.275 . 0 0 "[ . 1 . 2]" 2
376 1 13 TYR HB2 1 28 LEU HB2 . . 3.840 3.453 3.320 3.574 . 0 0 "[ . 1 . 2]" 2
377 1 13 TYR HB3 1 22 PHE H . . 4.170 4.129 4.062 4.178 0.008 4 0 "[ . 1 . 2]" 2
378 1 13 TYR HB2 1 22 PHE QD . . 4.020 3.933 3.870 3.979 . 0 0 "[ . 1 . 2]" 2
379 1 12 PRO HD2 1 13 TYR HB2 . . 4.980 4.180 4.171 4.199 . 0 0 "[ . 1 . 2]" 2
380 1 13 TYR HB2 1 28 LEU HB3 . . 4.350 4.154 4.035 4.299 . 0 0 "[ . 1 . 2]" 2
381 1 13 TYR HB3 1 28 LEU HG . . 4.830 4.621 4.470 4.766 . 0 0 "[ . 1 . 2]" 2
382 1 13 TYR HB3 1 28 LEU HB2 . . 3.680 2.859 2.641 2.998 . 0 0 "[ . 1 . 2]" 2
383 1 27 ASN HB2 1 28 LEU H . . 3.930 3.711 3.039 3.861 . 0 0 "[ . 1 . 2]" 2
384 1 22 PHE HB3 1 27 ASN HB2 . . 3.770 3.621 2.714 3.733 . 0 0 "[ . 1 . 2]" 2
385 1 22 PHE HB3 1 27 ASN HB3 . . 3.770 2.027 1.992 2.457 . 0 0 "[ . 1 . 2]" 2
386 1 24 THR MG 1 27 ASN HB2 . . 4.760 3.925 3.539 4.315 . 0 0 "[ . 1 . 2]" 2
387 1 16 TYR HB2 1 17 GLU H . . 4.010 3.362 3.312 3.832 . 0 0 "[ . 1 . 2]" 2
388 1 32 GLN H 1 33 VAL HA . . 5.350 5.163 5.134 5.191 . 0 0 "[ . 1 . 2]" 2
389 1 34 ILE HB 1 35 HIS HE1 . . 5.500 5.465 5.391 5.510 0.010 8 0 "[ . 1 . 2]" 2
390 1 34 ILE H 1 34 ILE HB . . 3.610 3.610 3.608 3.615 0.005 8 0 "[ . 1 . 2]" 2
391 1 33 VAL HA 1 35 HIS H . . 4.150 3.865 3.785 3.945 . 0 0 "[ . 1 . 2]" 2
392 1 32 GLN HB3 1 33 VAL HA . . 4.740 4.558 4.525 4.583 . 0 0 "[ . 1 . 2]" 2
393 1 33 VAL HA 1 34 ILE MG . . 5.090 4.894 4.861 4.946 . 0 0 "[ . 1 . 2]" 2
394 1 16 TYR HB3 1 17 GLU H . . 4.570 4.301 4.271 4.493 . 0 0 "[ . 1 . 2]" 2
395 1 13 TYR QE 1 25 ARG H . . 3.840 3.572 2.994 3.842 0.002 17 0 "[ . 1 . 2]" 2
396 1 13 TYR H 1 13 TYR QE . . 4.720 4.537 4.453 4.622 . 0 0 "[ . 1 . 2]" 2
397 1 13 TYR HA 1 13 TYR QE . . 4.650 4.407 4.369 4.439 . 0 0 "[ . 1 . 2]" 2
398 1 12 PRO HB2 1 13 TYR QE . . 4.150 3.818 3.686 3.884 . 0 0 "[ . 1 . 2]" 2
399 1 12 PRO HG3 1 13 TYR QE . . 4.400 4.246 4.163 4.363 . 0 0 "[ . 1 . 2]" 2
400 1 13 TYR QE 1 25 ARG HB2 . . 3.300 2.017 1.987 2.167 . 0 0 "[ . 1 . 2]" 2
401 1 14 LYS QB 1 16 TYR QE . . 3.370 2.953 2.834 3.099 . 0 0 "[ . 1 . 2]" 2
402 1 14 LYS HG2 1 16 TYR QE . . 3.630 3.590 3.465 3.634 0.004 6 0 "[ . 1 . 2]" 2
403 1 14 LYS HG3 1 16 TYR QE . . 5.300 5.104 5.021 5.165 . 0 0 "[ . 1 . 2]" 2
404 1 12 PRO HA 1 13 TYR H . . 3.530 3.517 3.498 3.527 . 0 0 "[ . 1 . 2]" 2
405 1 11 LYS HB3 1 12 PRO HA . . 5.500 5.387 5.311 5.497 . 0 0 "[ . 1 . 2]" 2
406 1 38 GLU H 1 38 GLU HG2 . . 4.990 3.733 1.906 4.986 . 0 0 "[ . 1 . 2]" 2
407 1 10 GLU QG 1 11 LYS H . . 4.810 3.008 1.813 3.839 . 0 0 "[ . 1 . 2]" 2
408 1 34 ILE HA 1 36 THR H . . 4.620 4.024 3.838 4.147 . 0 0 "[ . 1 . 2]" 2
409 1 10 GLU QG 1 23 ARG HA . . 5.500 4.895 3.160 5.570 0.070 14 0 "[ . 1 . 2]" 2
410 1 10 GLU QG 1 11 LYS HA . . 5.330 4.356 3.449 4.854 . 0 0 "[ . 1 . 2]" 2
411 1 10 GLU QG 1 12 PRO HD3 . . 5.160 3.859 2.781 4.313 . 0 0 "[ . 1 . 2]" 2
412 1 10 GLU QG 1 11 LYS QD . . 5.370 4.560 3.950 5.343 . 0 0 "[ . 1 . 2]" 2
413 1 10 GLU QG 1 11 LYS HG3 . . 4.560 3.128 2.393 4.173 . 0 0 "[ . 1 . 2]" 2
414 1 10 GLU QG 1 12 PRO HB3 . . 5.500 5.533 5.459 5.582 0.082 19 0 "[ . 1 . 2]" 2
415 1 10 GLU QG 1 11 LYS HG2 . . 4.950 3.784 2.885 4.237 . 0 0 "[ . 1 . 2]" 2
416 1 38 GLU H 1 38 GLU HG3 . . 4.990 4.083 2.686 4.955 . 0 0 "[ . 1 . 2]" 2
417 1 33 VAL H 1 34 ILE HA . . 5.500 5.344 5.282 5.418 . 0 0 "[ . 1 . 2]" 2
418 1 38 GLU HA 1 38 GLU HG3 . . 3.780 3.188 2.215 3.783 0.003 7 0 "[ . 1 . 2]" 2
419 1 33 VAL HB 1 34 ILE HA . . 4.450 4.164 4.120 4.199 . 0 0 "[ . 1 . 2]" 2
420 1 34 ILE HA 1 34 ILE HB . . 2.800 2.410 2.402 2.418 . 0 0 "[ . 1 . 2]" 2
421 1 33 VAL MG1 1 34 ILE HA . . 4.190 3.703 3.617 3.842 . 0 0 "[ . 1 . 2]" 2
422 1 34 ILE HA 1 34 ILE HG13 . . 3.750 3.724 3.718 3.737 . 0 0 "[ . 1 . 2]" 2
423 1 34 ILE HA 1 34 ILE MG . . 2.940 2.461 2.449 2.473 . 0 0 "[ . 1 . 2]" 2
424 1 35 HIS H 1 36 THR HA . . 4.910 4.893 4.835 4.928 0.018 13 0 "[ . 1 . 2]" 2
425 1 35 HIS HA 1 36 THR HA . . 4.860 4.652 4.616 4.693 . 0 0 "[ . 1 . 2]" 2
426 1 36 THR HA 1 37 GLY QA . . 4.330 3.973 3.897 4.225 . 0 0 "[ . 1 . 2]" 2
427 1 33 VAL HA 1 36 THR HA . . 5.180 4.943 4.839 5.014 . 0 0 "[ . 1 . 2]" 2
428 1 17 GLU H 1 17 GLU HG3 . . 3.840 2.260 2.201 2.663 . 0 0 "[ . 1 . 2]" 2
429 1 17 GLU H 1 17 GLU HG2 . . 3.840 2.771 2.706 3.188 . 0 0 "[ . 1 . 2]" 2
430 1 32 GLN H 1 32 GLN HG2 . . 3.570 3.117 3.076 3.163 . 0 0 "[ . 1 . 2]" 2
431 1 17 GLU HG3 1 18 CYS H . . 4.620 3.858 3.809 3.987 . 0 0 "[ . 1 . 2]" 2
432 1 17 GLU HG2 1 18 CYS H . . 4.620 4.543 4.514 4.601 . 0 0 "[ . 1 . 2]" 2
433 1 22 PHE QD 1 32 GLN HG3 . . 5.500 5.445 5.343 5.504 0.004 12 0 "[ . 1 . 2]" 2
434 1 16 TYR QD 1 17 GLU HG3 . . 5.500 5.476 5.386 5.506 0.006 6 0 "[ . 1 . 2]" 2
435 1 32 GLN HE22 1 32 GLN HG3 . . 4.090 3.444 3.438 3.454 . 0 0 "[ . 1 . 2]" 2
436 1 32 GLN HE22 1 32 GLN HG2 . . 4.030 3.888 3.848 3.937 . 0 0 "[ . 1 . 2]" 2
437 1 31 HIS HD2 1 32 GLN HG3 . . 3.760 3.559 3.506 3.632 . 0 0 "[ . 1 . 2]" 2
438 1 17 GLU HG3 1 35 HIS HD2 . . 4.770 3.380 3.318 3.456 . 0 0 "[ . 1 . 2]" 2
439 1 32 GLN HA 1 32 GLN HG3 . . 3.590 3.349 3.333 3.372 . 0 0 "[ . 1 . 2]" 2
440 1 17 GLU HG3 1 35 HIS HB2 . . 4.480 4.349 4.258 4.428 . 0 0 "[ . 1 . 2]" 2
441 1 17 GLU HG2 1 35 HIS HB2 . . 4.480 4.448 4.323 4.495 0.015 5 0 "[ . 1 . 2]" 2
442 1 16 TYR HB2 1 17 GLU HG3 . . 4.690 4.429 4.329 4.484 . 0 0 "[ . 1 . 2]" 2
443 1 16 TYR HB2 1 17 GLU HG2 . . 4.690 3.889 3.826 3.919 . 0 0 "[ . 1 . 2]" 2
444 1 17 GLU HG3 1 32 GLN HG2 . . 5.100 3.207 3.118 3.301 . 0 0 "[ . 1 . 2]" 2
445 1 17 GLU HG2 1 32 GLN HG2 . . 5.100 4.881 4.795 5.025 . 0 0 "[ . 1 . 2]" 2
446 1 28 LEU HG 1 32 GLN HG2 . . 4.260 4.059 3.987 4.152 . 0 0 "[ . 1 . 2]" 2
447 1 17 GLU HB3 1 32 GLN HG2 . . 5.500 5.352 5.246 5.432 . 0 0 "[ . 1 . 2]" 2
448 1 29 THR MG 1 32 GLN HG2 . . 5.500 5.441 5.299 5.505 0.005 17 0 "[ . 1 . 2]" 2
449 1 32 GLN HG2 1 36 THR MG . . 5.500 5.380 5.266 5.506 0.006 8 0 "[ . 1 . 2]" 2
450 1 28 LEU MD1 1 32 GLN HG3 . . 3.520 2.112 1.985 2.230 . 0 0 "[ . 1 . 2]" 2
451 1 17 GLU HG2 1 35 HIS HD2 . . 4.770 4.418 4.364 4.469 . 0 0 "[ . 1 . 2]" 2
452 1 15 CYS HA 1 32 GLN HG2 . . 5.180 4.043 3.986 4.110 . 0 0 "[ . 1 . 2]" 2
453 1 29 THR HA 1 32 GLN HG2 . . 4.230 3.943 3.862 4.021 . 0 0 "[ . 1 . 2]" 2
454 1 28 LEU HB2 1 32 GLN HG3 . . 5.030 4.925 4.832 5.035 0.005 7 0 "[ . 1 . 2]" 2
455 1 14 LYS QB 1 22 PHE H . . 4.960 4.839 4.721 4.907 . 0 0 "[ . 1 . 2]" 2
456 1 13 TYR H 1 14 LYS QB . . 5.450 5.344 5.292 5.385 . 0 0 "[ . 1 . 2]" 2
457 1 14 LYS QB 1 21 ALA HA . . 3.940 3.581 3.478 3.653 . 0 0 "[ . 1 . 2]" 2
458 1 13 TYR HA 1 14 LYS QB . . 4.200 4.106 4.073 4.157 . 0 0 "[ . 1 . 2]" 2
459 1 24 THR HB 1 26 SER HB3 . . 5.050 4.658 4.433 4.999 . 0 0 "[ . 1 . 2]" 2
460 1 24 THR HB 1 26 SER HB2 . . 5.050 4.915 4.536 5.060 0.010 14 0 "[ . 1 . 2]" 2
461 1 14 LYS QB 1 21 ALA MB . . 3.640 3.478 3.327 3.589 . 0 0 "[ . 1 . 2]" 2
462 1 12 PRO HA 1 14 LYS QB . . 5.480 5.107 4.938 5.212 . 0 0 "[ . 1 . 2]" 2
463 1 14 LYS QB 1 14 LYS QE . . 3.770 3.531 3.449 3.663 . 0 0 "[ . 1 . 2]" 2
464 1 8 THR HA 1 8 THR MG . . 3.210 2.538 2.252 3.207 . 0 0 "[ . 1 . 2]" 2
465 1 26 SER HA 1 29 THR H . . 3.850 3.804 3.632 3.861 0.011 8 0 "[ . 1 . 2]" 2
466 1 25 ARG HB3 1 26 SER HA . . 4.780 4.014 3.802 4.312 . 0 0 "[ . 1 . 2]" 2
467 1 26 SER HA 1 30 THR H . . 4.370 3.598 3.439 3.827 . 0 0 "[ . 1 . 2]" 2
468 1 20 LYS HB3 1 31 HIS HE1 . . 5.240 4.952 4.884 5.025 . 0 0 "[ . 1 . 2]" 2
469 1 20 LYS HB2 1 31 HIS HE1 . . 4.860 4.399 4.255 4.511 . 0 0 "[ . 1 . 2]" 2
470 1 20 LYS H 1 20 LYS HB3 . . 3.570 3.531 3.505 3.555 . 0 0 "[ . 1 . 2]" 2
471 1 20 LYS HB2 1 21 ALA H . . 3.790 3.480 3.396 3.581 . 0 0 "[ . 1 . 2]" 2
472 1 20 LYS HB3 1 22 PHE QD . . 4.910 4.166 4.090 4.220 . 0 0 "[ . 1 . 2]" 2
473 1 20 LYS HB2 1 22 PHE QD . . 4.750 4.589 4.497 4.670 . 0 0 "[ . 1 . 2]" 2
474 1 26 SER HA 1 28 LEU H . . 4.530 4.195 4.079 4.258 . 0 0 "[ . 1 . 2]" 2
475 1 20 LYS HB3 1 22 PHE QE . . 3.890 2.709 2.570 2.810 . 0 0 "[ . 1 . 2]" 2
476 1 20 LYS HB2 1 22 PHE QE . . 3.820 2.515 2.400 2.611 . 0 0 "[ . 1 . 2]" 2
477 1 20 LYS HB3 1 20 LYS QE . . 4.630 2.993 2.036 3.810 . 0 0 "[ . 1 . 2]" 2
478 1 26 SER HA 1 29 THR MG . . 4.340 4.208 4.106 4.294 . 0 0 "[ . 1 . 2]" 2
479 1 20 LYS HB2 1 20 LYS QE . . 4.480 3.700 3.117 4.229 . 0 0 "[ . 1 . 2]" 2
480 1 20 LYS HB3 1 20 LYS QD . . 3.160 2.240 2.086 2.478 . 0 0 "[ . 1 . 2]" 2
481 1 16 TYR HA 1 16 TYR QE . . 4.620 4.531 4.494 4.579 . 0 0 "[ . 1 . 2]" 2
482 1 16 TYR HA 1 19 GLY H . . 4.540 4.423 4.203 4.548 0.008 12 0 "[ . 1 . 2]" 2
483 1 16 TYR HA 1 18 CYS H . . 4.740 4.555 4.508 4.619 . 0 0 "[ . 1 . 2]" 2
484 1 16 TYR HA 1 19 GLY HA2 . . 4.560 3.871 3.755 4.220 . 0 0 "[ . 1 . 2]" 2
485 1 14 LYS QE 1 16 TYR HA . . 4.120 3.847 3.586 4.129 0.009 18 0 "[ . 1 . 2]" 2
486 1 14 LYS HG2 1 16 TYR HA . . 4.530 3.583 3.455 3.808 . 0 0 "[ . 1 . 2]" 2
487 1 11 LYS HB2 1 22 PHE H . . 4.990 4.360 4.176 4.521 . 0 0 "[ . 1 . 2]" 2
488 1 11 LYS HB3 1 22 PHE H . . 4.550 2.876 2.773 3.183 . 0 0 "[ . 1 . 2]" 2
489 1 11 LYS HB2 1 13 TYR H . . 5.480 5.361 5.224 5.457 . 0 0 "[ . 1 . 2]" 2
490 1 11 LYS HB2 1 12 PRO HD2 . . 5.000 4.809 4.761 4.822 . 0 0 "[ . 1 . 2]" 2
491 1 11 LYS HB2 1 11 LYS QE . . 4.530 4.126 3.876 4.364 . 0 0 "[ . 1 . 2]" 2
492 1 11 LYS HB3 1 11 LYS QE . . 4.190 3.915 3.747 3.991 . 0 0 "[ . 1 . 2]" 2
493 1 11 LYS HB2 1 21 ALA MB . . 3.370 2.870 2.661 3.072 . 0 0 "[ . 1 . 2]" 2
494 1 11 LYS HB3 1 21 ALA MB . . 3.510 2.018 1.965 2.248 . 0 0 "[ . 1 . 2]" 2
495 1 11 LYS HB2 1 12 PRO HA . . 5.130 4.880 4.719 4.938 . 0 0 "[ . 1 . 2]" 2
496 1 32 GLN HA 1 34 ILE H . . 4.080 3.756 3.592 3.872 . 0 0 "[ . 1 . 2]" 2
497 1 32 GLN HA 1 35 HIS H . . 3.850 3.450 3.425 3.473 . 0 0 "[ . 1 . 2]" 2
498 1 32 GLN HA 1 35 HIS HD2 . . 3.100 2.039 1.992 2.096 . 0 0 "[ . 1 . 2]" 2
499 1 29 THR HA 1 32 GLN HA . . 4.860 4.752 4.698 4.789 . 0 0 "[ . 1 . 2]" 2
500 1 31 HIS HB3 1 32 GLN HA . . 4.780 4.711 4.697 4.725 . 0 0 "[ . 1 . 2]" 2
501 1 9 LYS HB3 1 9 LYS QE . . 4.590 3.365 2.187 4.435 . 0 0 "[ . 1 . 2]" 2
502 1 32 GLN HA 1 32 GLN HG2 . . 3.130 2.293 2.278 2.309 . 0 0 "[ . 1 . 2]" 2
503 1 32 GLN HA 1 36 THR MG . . 4.530 4.358 4.269 4.459 . 0 0 "[ . 1 . 2]" 2
504 1 17 GLU H 1 18 CYS HB3 . . 5.400 5.375 5.045 5.407 0.007 18 0 "[ . 1 . 2]" 2
505 1 18 CYS HB2 1 19 GLY H . . 4.570 3.786 3.698 3.942 . 0 0 "[ . 1 . 2]" 2
506 1 18 CYS HB3 1 19 GLY H . . 4.560 3.873 3.830 3.980 . 0 0 "[ . 1 . 2]" 2
507 1 18 CYS HB2 1 35 HIS HE1 . . 3.540 3.520 3.435 3.547 0.007 10 0 "[ . 1 . 2]" 2
508 1 18 CYS HB2 1 20 LYS H . . 4.690 4.281 4.204 4.343 . 0 0 "[ . 1 . 2]" 2
509 1 18 CYS HB3 1 20 LYS H . . 4.760 4.617 4.551 4.661 . 0 0 "[ . 1 . 2]" 2
510 1 12 PRO HB3 1 13 TYR H . . 4.370 4.161 4.130 4.214 . 0 0 "[ . 1 . 2]" 2
511 1 18 CYS H 1 18 CYS HB2 . . 3.890 3.773 3.752 3.785 . 0 0 "[ . 1 . 2]" 2
512 1 12 PRO HB3 1 13 TYR QD . . 4.430 4.242 4.188 4.280 . 0 0 "[ . 1 . 2]" 2
513 1 18 CYS HA 1 18 CYS HB2 . . 2.920 2.423 2.416 2.437 . 0 0 "[ . 1 . 2]" 2
514 1 18 CYS HA 1 18 CYS HB3 . . 2.980 2.484 2.471 2.492 . 0 0 "[ . 1 . 2]" 2
515 1 31 HIS HA 1 32 GLN HA . . 5.110 4.833 4.820 4.846 . 0 0 "[ . 1 . 2]" 2
516 1 17 GLU HB2 1 18 CYS HB3 . . 4.620 3.649 3.619 3.691 . 0 0 "[ . 1 . 2]" 2
517 1 32 GLN HA 1 34 ILE MD . . 4.480 3.962 3.863 4.031 . 0 0 "[ . 1 . 2]" 2
518 1 31 HIS HA 1 34 ILE H . . 4.320 3.992 3.948 4.079 . 0 0 "[ . 1 . 2]" 2
519 1 15 CYS HA 1 22 PHE QD . . 4.730 4.748 4.684 4.771 0.041 13 0 "[ . 1 . 2]" 2
520 1 31 HIS HA 1 33 VAL H . . 4.330 3.555 3.458 3.641 . 0 0 "[ . 1 . 2]" 2
521 1 35 HIS HA 1 35 HIS HE1 . . 5.070 4.918 4.897 4.941 . 0 0 "[ . 1 . 2]" 2
522 1 23 ARG HB2 1 23 ARG HD2 . . 3.720 2.817 2.348 3.607 . 0 0 "[ . 1 . 2]" 2
523 1 23 ARG HB3 1 23 ARG HD2 . . 3.720 2.985 2.439 3.587 . 0 0 "[ . 1 . 2]" 2
524 1 18 CYS HB3 1 35 HIS HE1 . . 3.050 2.069 1.992 2.128 . 0 0 "[ . 1 . 2]" 2
525 1 31 HIS HA 1 31 HIS HB2 . . 2.940 2.290 2.289 2.293 . 0 0 "[ . 1 . 2]" 2
526 1 12 PRO HG2 1 23 ARG HA . . 4.460 4.062 3.916 4.275 . 0 0 "[ . 1 . 2]" 2
527 1 30 THR MG 1 31 HIS HA . . 3.960 3.311 3.268 3.366 . 0 0 "[ . 1 . 2]" 2
528 1 31 HIS HA 1 34 ILE MD . . 4.280 4.239 4.172 4.285 0.005 10 0 "[ . 1 . 2]" 2
529 1 33 VAL HB 1 34 ILE H . . 3.770 2.760 2.631 2.888 . 0 0 "[ . 1 . 2]" 2
530 1 33 VAL H 1 33 VAL HB . . 3.060 2.664 2.630 2.701 . 0 0 "[ . 1 . 2]" 2
531 1 15 CYS HA 1 22 PHE QE . . 4.530 4.124 4.023 4.179 . 0 0 "[ . 1 . 2]" 2
532 1 23 ARG HA 1 23 ARG HG2 . . 3.960 2.517 2.284 3.648 . 0 0 "[ . 1 . 2]" 2
533 1 14 LYS QB 1 15 CYS HA . . 5.350 5.012 4.972 5.061 . 0 0 "[ . 1 . 2]" 2
534 1 11 LYS QD 1 23 ARG HA . . 5.380 4.763 3.474 5.170 . 0 0 "[ . 1 . 2]" 2
535 1 17 GLU HB2 1 35 HIS HE1 . . 4.140 3.976 3.733 4.071 . 0 0 "[ . 1 . 2]" 2
536 1 11 LYS HB3 1 23 ARG HA . . 5.090 4.322 4.215 4.461 . 0 0 "[ . 1 . 2]" 2
537 1 11 LYS HG3 1 23 ARG HA . . 5.500 4.865 4.613 5.279 . 0 0 "[ . 1 . 2]" 2
538 1 17 GLU HB3 1 35 HIS HE1 . . 4.630 4.090 3.864 4.215 . 0 0 "[ . 1 . 2]" 2
539 1 23 ARG HA 1 24 THR MG . . 4.460 4.230 4.074 4.314 . 0 0 "[ . 1 . 2]" 2
540 1 11 LYS HG2 1 23 ARG HA . . 4.360 3.475 3.293 3.834 . 0 0 "[ . 1 . 2]" 2
541 1 17 GLU HA 1 19 GLY H . . 5.320 5.252 5.055 5.323 0.003 3 0 "[ . 1 . 2]" 2
542 1 22 PHE HZ 1 31 HIS HE1 . . 4.340 4.289 4.220 4.343 0.003 18 0 "[ . 1 . 2]" 2
543 1 17 GLU HA 1 18 CYS HA . . 4.660 4.549 4.545 4.552 . 0 0 "[ . 1 . 2]" 2
544 1 31 HIS HA 1 31 HIS HE1 . . 5.500 5.441 5.426 5.453 . 0 0 "[ . 1 . 2]" 2
545 1 17 GLU HA 1 17 GLU HG3 . . 3.580 3.543 3.516 3.558 . 0 0 "[ . 1 . 2]" 2
546 1 17 GLU HA 1 17 GLU HG2 . . 3.580 2.582 2.540 2.597 . 0 0 "[ . 1 . 2]" 2
547 1 20 LYS HG3 1 31 HIS HE1 . . 5.010 2.552 2.430 2.662 . 0 0 "[ . 1 . 2]" 2
548 1 28 LEU HA 1 32 GLN H . . 4.600 4.532 4.473 4.591 . 0 0 "[ . 1 . 2]" 2
549 1 27 ASN H 1 28 LEU HA . . 5.500 5.213 5.148 5.271 . 0 0 "[ . 1 . 2]" 2
550 1 28 LEU HA 1 32 GLN HE21 . . 5.500 5.002 4.916 5.061 . 0 0 "[ . 1 . 2]" 2
551 1 22 PHE QD 1 28 LEU HA . . 3.440 2.752 2.722 2.813 . 0 0 "[ . 1 . 2]" 2
552 1 22 PHE QE 1 28 LEU HA . . 3.770 3.168 3.112 3.218 . 0 0 "[ . 1 . 2]" 2
553 1 28 LEU HA 1 31 HIS HB3 . . 3.380 3.200 3.117 3.328 . 0 0 "[ . 1 . 2]" 2
554 1 28 LEU HA 1 32 GLN HG3 . . 5.250 4.352 4.295 4.387 . 0 0 "[ . 1 . 2]" 2
555 1 22 PHE HB2 1 28 LEU HA . . 3.420 3.147 3.060 3.266 . 0 0 "[ . 1 . 2]" 2
556 1 28 LEU HA 1 28 LEU HG . . 3.620 3.482 3.449 3.514 . 0 0 "[ . 1 . 2]" 2
557 1 28 LEU HA 1 28 LEU MD1 . . 2.920 2.351 2.194 2.525 . 0 0 "[ . 1 . 2]" 2
558 1 18 CYS HA 1 35 HIS HE1 . . 4.110 3.898 3.761 4.027 . 0 0 "[ . 1 . 2]" 2
559 1 18 CYS HA 1 20 LYS H . . 5.100 4.954 4.828 5.006 . 0 0 "[ . 1 . 2]" 2
560 1 28 LEU HA 1 29 THR HA . . 4.860 4.827 4.802 4.847 . 0 0 "[ . 1 . 2]" 2
561 1 18 CYS HA 1 19 GLY HA2 . . 5.180 5.055 5.036 5.067 . 0 0 "[ . 1 . 2]" 2
562 1 15 CYS HB3 1 20 LYS HA . . 4.750 4.280 4.167 4.349 . 0 0 "[ . 1 . 2]" 2
563 1 14 LYS QE 1 20 LYS HA . . 5.500 5.363 5.019 5.509 0.009 18 0 "[ . 1 . 2]" 2
564 1 15 CYS HB2 1 20 LYS HA . . 5.500 5.087 5.010 5.190 . 0 0 "[ . 1 . 2]" 2
565 1 17 GLU HB2 1 18 CYS HA . . 4.900 4.416 4.384 4.478 . 0 0 "[ . 1 . 2]" 2
566 1 17 GLU HB3 1 18 CYS HA . . 5.050 4.839 4.805 4.864 . 0 0 "[ . 1 . 2]" 2
567 1 17 GLU H 1 18 CYS HA . . 5.160 5.136 4.800 5.173 0.013 5 0 "[ . 1 . 2]" 2
568 1 20 LYS HA 1 21 ALA H . . 2.680 2.602 2.562 2.652 . 0 0 "[ . 1 . 2]" 2
569 1 20 LYS HA 1 21 ALA HA . . 4.590 4.511 4.495 4.529 . 0 0 "[ . 1 . 2]" 2
570 1 20 LYS HA 1 20 LYS HG3 . . 3.680 3.662 3.630 3.685 0.005 8 0 "[ . 1 . 2]" 2
571 1 20 LYS HA 1 20 LYS QD . . 3.710 2.446 2.303 2.523 . 0 0 "[ . 1 . 2]" 2
572 1 20 LYS HA 1 20 LYS HG2 . . 3.680 2.507 2.412 2.615 . 0 0 "[ . 1 . 2]" 2
573 1 10 GLU HA 1 11 LYS HB2 . . 5.070 4.915 4.861 4.995 . 0 0 "[ . 1 . 2]" 2
574 1 10 GLU HA 1 11 LYS HA . . 5.100 4.463 4.357 4.718 . 0 0 "[ . 1 . 2]" 2
575 1 10 GLU HA 1 23 ARG HA . . 5.450 4.444 3.738 5.475 0.025 13 0 "[ . 1 . 2]" 2
576 1 10 GLU HA 1 12 PRO HD3 . . 4.620 2.831 2.754 2.910 . 0 0 "[ . 1 . 2]" 2
577 1 10 GLU HB2 1 12 PRO HD3 . . 5.440 4.854 4.703 5.131 . 0 0 "[ . 1 . 2]" 2
578 1 10 GLU HB3 1 12 PRO HD3 . . 5.440 4.827 4.467 4.979 . 0 0 "[ . 1 . 2]" 2
579 1 10 GLU HA 1 10 GLU QG . . 3.370 2.962 2.121 3.295 . 0 0 "[ . 1 . 2]" 2
580 1 10 GLU HA 1 11 LYS HG2 . . 5.050 4.550 3.438 5.009 . 0 0 "[ . 1 . 2]" 2
581 1 11 LYS QD 1 22 PHE H . . 4.790 4.035 3.870 4.242 . 0 0 "[ . 1 . 2]" 2
582 1 11 LYS HA 1 11 LYS QD . . 3.850 3.572 2.763 3.724 . 0 0 "[ . 1 . 2]" 2
583 1 38 GLU HA 1 38 GLU HG2 . . 3.780 3.074 2.292 3.769 . 0 0 "[ . 1 . 2]" 2
584 1 9 LYS HA 1 9 LYS HG2 . . 4.110 2.991 2.274 3.830 . 0 0 "[ . 1 . 2]" 2
585 1 11 LYS HB3 1 11 LYS QD . . 3.020 2.186 2.040 2.237 . 0 0 "[ . 1 . 2]" 2
586 1 15 CYS H 1 15 CYS HB3 . . 3.190 2.554 2.528 2.567 . 0 0 "[ . 1 . 2]" 2
587 1 15 CYS H 1 15 CYS HB2 . . 3.240 2.536 2.514 2.566 . 0 0 "[ . 1 . 2]" 2
588 1 14 LYS QD 1 15 CYS H . . 4.720 4.516 4.329 4.672 . 0 0 "[ . 1 . 2]" 2
589 1 14 LYS H 1 14 LYS QD . . 4.770 4.644 4.595 4.687 . 0 0 "[ . 1 . 2]" 2
590 1 20 LYS QD 1 31 HIS HE1 . . 4.490 4.139 3.704 4.492 0.002 7 0 "[ . 1 . 2]" 2
591 1 20 LYS H 1 20 LYS QD . . 4.610 4.243 4.144 4.351 . 0 0 "[ . 1 . 2]" 2
592 1 15 CYS HB2 1 18 CYS H . . 4.810 4.392 4.339 4.411 . 0 0 "[ . 1 . 2]" 2
593 1 15 CYS HB2 1 32 GLN HE21 . . 5.240 4.652 4.446 4.828 . 0 0 "[ . 1 . 2]" 2
594 1 15 CYS HB2 1 22 PHE QD . . 4.160 3.734 3.676 3.818 . 0 0 "[ . 1 . 2]" 2
595 1 15 CYS HB3 1 22 PHE QD . . 5.330 5.072 4.993 5.136 . 0 0 "[ . 1 . 2]" 2
596 1 14 LYS QD 1 16 TYR QD . . 4.680 4.403 4.223 4.657 . 0 0 "[ . 1 . 2]" 2
597 1 14 LYS QD 1 16 TYR QE . . 4.670 4.345 4.195 4.553 . 0 0 "[ . 1 . 2]" 2
598 1 15 CYS HB3 1 22 PHE QE . . 3.330 3.305 3.234 3.346 0.016 8 0 "[ . 1 . 2]" 2
599 1 15 CYS HB2 1 22 PHE QE . . 3.110 1.995 1.985 2.001 . 0 0 "[ . 1 . 2]" 2
600 1 15 CYS HB2 1 22 PHE HZ . . 4.540 3.953 3.868 4.016 . 0 0 "[ . 1 . 2]" 2
601 1 15 CYS HB2 1 21 ALA HA . . 5.000 4.903 4.842 4.973 . 0 0 "[ . 1 . 2]" 2
602 1 11 LYS QD 1 21 ALA HA . . 5.500 4.955 4.787 5.319 . 0 0 "[ . 1 . 2]" 2
603 1 14 LYS QD 1 21 ALA HA . . 5.500 4.810 4.646 4.995 . 0 0 "[ . 1 . 2]" 2
604 1 15 CYS HB3 1 21 ALA HA . . 5.500 5.318 5.244 5.358 . 0 0 "[ . 1 . 2]" 2
605 1 15 CYS HB3 1 20 LYS QD . . 5.500 5.238 5.156 5.320 . 0 0 "[ . 1 . 2]" 2
606 1 11 LYS QD 1 22 PHE HB3 . . 5.500 5.091 4.758 5.495 . 0 0 "[ . 1 . 2]" 2
607 1 15 CYS HB2 1 28 LEU HA . . 4.930 4.800 4.741 4.902 . 0 0 "[ . 1 . 2]" 2
608 1 15 CYS HB2 1 31 HIS HB3 . . 5.220 5.067 5.017 5.108 . 0 0 "[ . 1 . 2]" 2
609 1 15 CYS HB3 1 20 LYS HB3 . . 4.120 3.902 3.761 4.010 . 0 0 "[ . 1 . 2]" 2
610 1 15 CYS HB2 1 20 LYS HB3 . . 4.330 3.805 3.669 3.910 . 0 0 "[ . 1 . 2]" 2
611 1 15 CYS HB3 1 20 LYS HB2 . . 4.190 2.324 2.203 2.439 . 0 0 "[ . 1 . 2]" 2
612 1 15 CYS HB2 1 20 LYS HB2 . . 4.450 2.599 2.489 2.754 . 0 0 "[ . 1 . 2]" 2
613 1 17 GLU H 1 17 GLU HB3 . . 3.720 3.610 3.597 3.720 . 0 0 "[ . 1 . 2]" 2
614 1 25 ARG HB2 1 28 LEU H . . 5.500 5.472 5.426 5.509 0.009 18 0 "[ . 1 . 2]" 2
615 1 17 GLU HB3 1 35 HIS H . . 5.500 5.415 5.339 5.486 . 0 0 "[ . 1 . 2]" 2
616 1 13 TYR QE 1 25 ARG HB3 . . 4.340 3.647 3.485 3.733 . 0 0 "[ . 1 . 2]" 2
617 1 17 GLU HB2 1 35 HIS HD2 . . 4.270 2.612 2.537 2.682 . 0 0 "[ . 1 . 2]" 2
618 1 17 GLU HB3 1 32 GLN HA . . 5.440 5.169 5.103 5.251 . 0 0 "[ . 1 . 2]" 2
619 1 15 CYS HB3 1 17 GLU HB2 . . 4.720 4.320 4.259 4.415 . 0 0 "[ . 1 . 2]" 2
620 1 17 GLU HB3 1 35 HIS HB2 . . 4.520 3.463 3.366 3.537 . 0 0 "[ . 1 . 2]" 2
621 1 17 GLU HB2 1 35 HIS HB3 . . 5.030 4.303 4.242 4.399 . 0 0 "[ . 1 . 2]" 2
622 1 25 ARG HB3 1 25 ARG HD2 . . 3.790 3.183 2.402 3.819 0.029 10 0 "[ . 1 . 2]" 2
623 1 17 GLU HB2 1 32 GLN HG2 . . 5.500 4.130 4.039 4.214 . 0 0 "[ . 1 . 2]" 2
624 1 17 GLU HB3 1 18 CYS HB3 . . 4.570 4.419 4.400 4.463 . 0 0 "[ . 1 . 2]" 2
625 1 25 ARG HB2 1 28 LEU HB3 . . 5.450 4.890 4.651 5.050 . 0 0 "[ . 1 . 2]" 2
626 1 39 LYS HA 1 39 LYS QG . . 3.740 2.600 2.142 3.342 . 0 0 "[ . 1 . 2]" 2
627 1 25 ARG HB2 1 28 LEU MD2 . . 4.940 4.608 4.189 4.948 0.008 13 0 "[ . 1 . 2]" 2
628 1 24 THR HB 1 25 ARG HB2 . . 5.150 4.549 4.231 4.948 . 0 0 "[ . 1 . 2]" 2
629 1 9 LYS HA 1 9 LYS QD . . 4.140 3.502 2.282 4.226 0.086 12 0 "[ . 1 . 2]" 2
630 1 40 ARG HA 1 40 ARG QG . . 3.780 2.533 2.236 3.356 . 0 0 "[ . 1 . 2]" 2
631 1 32 GLN HB2 1 32 GLN HE21 . . 4.720 3.788 3.610 3.920 . 0 0 "[ . 1 . 2]" 2
632 1 35 HIS H 1 35 HIS HB3 . . 3.730 3.656 3.646 3.668 . 0 0 "[ . 1 . 2]" 2
633 1 23 ARG HG3 1 24 THR H . . 5.030 4.167 3.945 4.926 . 0 0 "[ . 1 . 2]" 2
634 1 31 HIS HD2 1 32 GLN HB2 . . 5.020 4.823 4.784 4.858 . 0 0 "[ . 1 . 2]" 2
635 1 32 GLN HB2 1 35 HIS HD2 . . 4.760 4.679 4.596 4.754 . 0 0 "[ . 1 . 2]" 2
636 1 11 LYS HA 1 23 ARG HG2 . . 4.770 3.124 2.781 4.705 . 0 0 "[ . 1 . 2]" 2
637 1 23 ARG HA 1 23 ARG HG3 . . 3.960 3.319 2.739 3.647 . 0 0 "[ . 1 . 2]" 2
638 1 35 HIS HB2 1 36 THR HA . . 4.940 4.405 4.334 4.469 . 0 0 "[ . 1 . 2]" 2
639 1 32 GLN HA 1 35 HIS HB3 . . 5.500 5.312 5.263 5.365 . 0 0 "[ . 1 . 2]" 2
640 1 32 GLN HA 1 35 HIS HB2 . . 4.470 3.788 3.731 3.854 . 0 0 "[ . 1 . 2]" 2
641 1 11 LYS QE 1 23 ARG HG3 . . 4.300 3.290 2.898 3.854 . 0 0 "[ . 1 . 2]" 2
642 1 17 GLU HB3 1 35 HIS HB3 . . 4.480 3.051 2.962 3.116 . 0 0 "[ . 1 . 2]" 2
643 1 23 ARG HG2 1 24 THR MG . . 5.040 4.950 4.587 5.026 . 0 0 "[ . 1 . 2]" 2
644 1 31 HIS HB2 1 32 GLN H . . 4.320 4.188 4.153 4.214 . 0 0 "[ . 1 . 2]" 2
645 1 27 ASN HA 1 30 THR H . . 4.180 4.107 3.958 4.197 0.017 14 0 "[ . 1 . 2]" 2
646 1 31 HIS H 1 31 HIS HB2 . . 3.260 3.170 3.139 3.192 . 0 0 "[ . 1 . 2]" 2
647 1 31 HIS H 1 32 GLN HB2 . . 4.800 4.320 4.256 4.385 . 0 0 "[ . 1 . 2]" 2
648 1 23 ARG HG2 1 24 THR H . . 5.030 4.722 4.611 4.944 . 0 0 "[ . 1 . 2]" 2
649 1 22 PHE QE 1 31 HIS HB3 . . 3.900 2.966 2.916 3.011 . 0 0 "[ . 1 . 2]" 2
650 1 22 PHE QE 1 31 HIS HB2 . . 3.560 2.898 2.827 2.951 . 0 0 "[ . 1 . 2]" 2
651 1 35 HIS HB3 1 36 THR HA . . 4.780 4.731 4.709 4.757 . 0 0 "[ . 1 . 2]" 2
652 1 29 THR HB 1 32 GLN HB2 . . 5.240 4.921 4.856 4.971 . 0 0 "[ . 1 . 2]" 2
653 1 22 PHE HB3 1 27 ASN HA . . 4.790 4.573 4.415 4.672 . 0 0 "[ . 1 . 2]" 2
654 1 31 HIS HB3 1 32 GLN HG3 . . 4.570 4.430 4.392 4.477 . 0 0 "[ . 1 . 2]" 2
655 1 28 LEU HG 1 32 GLN HB2 . . 4.960 4.352 4.218 4.474 . 0 0 "[ . 1 . 2]" 2
656 1 30 THR MG 1 31 HIS HB3 . . 4.470 4.426 4.395 4.460 . 0 0 "[ . 1 . 2]" 2
657 1 27 ASN HA 1 30 THR MG . . 4.090 4.049 3.995 4.094 0.004 8 0 "[ . 1 . 2]" 2
658 1 29 THR MG 1 32 GLN HB3 . . 4.720 4.287 4.125 4.390 . 0 0 "[ . 1 . 2]" 2
659 1 23 ARG HG3 1 24 THR MG . . 5.040 4.646 4.539 4.930 . 0 0 "[ . 1 . 2]" 2
660 1 28 LEU MD1 1 32 GLN HB2 . . 4.270 4.052 3.964 4.119 . 0 0 "[ . 1 . 2]" 2
661 1 34 ILE HG13 1 35 HIS HB2 . . 5.340 4.174 4.121 4.244 . 0 0 "[ . 1 . 2]" 2
662 1 34 ILE MD 1 35 HIS HB2 . . 5.500 5.114 5.057 5.193 . 0 0 "[ . 1 . 2]" 2
663 1 15 CYS HA 1 28 LEU HG . . 5.060 4.785 4.606 4.874 . 0 0 "[ . 1 . 2]" 2
664 1 22 PHE QE 1 28 LEU HG . . 4.990 4.794 4.713 4.913 . 0 0 "[ . 1 . 2]" 2
665 1 28 LEU HG 1 32 GLN HG3 . . 3.880 2.586 2.497 2.702 . 0 0 "[ . 1 . 2]" 2
666 1 15 CYS HB2 1 28 LEU HG . . 5.380 4.917 4.875 4.953 . 0 0 "[ . 1 . 2]" 2
667 1 25 ARG HG2 1 28 LEU MD2 . . 5.420 4.048 2.592 5.048 . 0 0 "[ . 1 . 2]" 2
668 1 25 ARG HG3 1 28 LEU MD2 . . 5.420 4.444 4.104 4.758 . 0 0 "[ . 1 . 2]" 2
669 1 25 ARG H 1 25 ARG HG2 . . 4.860 4.448 4.137 4.630 . 0 0 "[ . 1 . 2]" 2
670 1 25 ARG H 1 25 ARG HG3 . . 4.860 4.484 4.306 4.629 . 0 0 "[ . 1 . 2]" 2
671 1 13 TYR QE 1 25 ARG HG2 . . 4.910 3.081 1.995 4.141 . 0 0 "[ . 1 . 2]" 2
672 1 13 TYR QE 1 25 ARG HG3 . . 4.910 3.731 2.441 4.705 . 0 0 "[ . 1 . 2]" 2
673 1 42 GLY HA2 1 43 PRO QG . . 5.500 4.252 3.771 5.095 . 0 0 "[ . 1 . 2]" 2
674 1 42 GLY HA3 1 43 PRO QG . . 5.500 4.265 3.765 5.071 . 0 0 "[ . 1 . 2]" 2
675 1 15 CYS H 1 28 LEU MD2 . . 4.560 4.372 4.138 4.514 . 0 0 "[ . 1 . 2]" 2
676 1 28 LEU MD2 1 29 THR H . . 4.130 3.630 3.417 3.930 . 0 0 "[ . 1 . 2]" 2
677 1 34 ILE HG13 1 35 HIS HE1 . . 4.250 3.582 3.509 3.623 . 0 0 "[ . 1 . 2]" 2
678 1 11 LYS HA 1 13 TYR H . . 4.990 3.376 3.312 3.422 . 0 0 "[ . 1 . 2]" 2
679 1 28 LEU MD2 1 32 GLN HE21 . . 3.890 2.244 2.047 2.370 . 0 0 "[ . 1 . 2]" 2
680 1 34 ILE H 1 34 ILE HG13 . . 3.830 3.534 3.447 3.591 . 0 0 "[ . 1 . 2]" 2
681 1 22 PHE QD 1 28 LEU MD2 . . 3.600 3.322 3.161 3.521 . 0 0 "[ . 1 . 2]" 2
682 1 28 LEU MD2 1 32 GLN HE22 . . 4.090 2.811 2.596 2.968 . 0 0 "[ . 1 . 2]" 2
683 1 33 VAL H 1 34 ILE HG12 . . 5.180 4.218 4.181 4.247 . 0 0 "[ . 1 . 2]" 2
684 1 13 TYR QE 1 28 LEU MD2 . . 4.660 3.885 3.743 4.088 . 0 0 "[ . 1 . 2]" 2
685 1 22 PHE QE 1 28 LEU MD2 . . 5.100 4.362 4.236 4.499 . 0 0 "[ . 1 . 2]" 2
686 1 31 HIS HD2 1 34 ILE HG12 . . 5.130 4.707 4.612 4.765 . 0 0 "[ . 1 . 2]" 2
687 1 13 TYR HA 1 28 LEU MD2 . . 3.880 3.731 3.481 3.902 0.022 8 0 "[ . 1 . 2]" 2
688 1 15 CYS HA 1 28 LEU MD2 . . 4.060 3.303 3.051 3.460 . 0 0 "[ . 1 . 2]" 2
689 1 28 LEU MD2 1 29 THR HA . . 4.550 4.341 4.227 4.552 0.002 7 0 "[ . 1 . 2]" 2
690 1 34 ILE HA 1 34 ILE HG12 . . 3.930 3.701 3.691 3.705 . 0 0 "[ . 1 . 2]" 2
691 1 11 LYS HA 1 12 PRO HD3 . . 3.420 3.255 3.199 3.409 . 0 0 "[ . 1 . 2]" 2
692 1 15 CYS HB3 1 28 LEU MD2 . . 5.500 5.419 5.241 5.502 0.002 5 0 "[ . 1 . 2]" 2
693 1 22 PHE HB3 1 28 LEU MD2 . . 5.500 5.127 5.046 5.222 . 0 0 "[ . 1 . 2]" 2
694 1 28 LEU HA 1 28 LEU MD2 . . 4.160 3.976 3.922 4.011 . 0 0 "[ . 1 . 2]" 2
695 1 13 TYR HB3 1 28 LEU MD2 . . 3.080 1.978 1.915 2.109 . 0 0 "[ . 1 . 2]" 2
696 1 13 TYR HB2 1 28 LEU MD2 . . 3.490 3.423 3.297 3.492 0.002 12 0 "[ . 1 . 2]" 2
697 1 11 LYS HA 1 23 ARG HG3 . . 4.770 3.971 3.241 4.754 . 0 0 "[ . 1 . 2]" 2
698 1 28 LEU HB2 1 28 LEU MD2 . . 3.120 2.394 2.329 2.462 . 0 0 "[ . 1 . 2]" 2
699 1 34 ILE HG13 1 34 ILE MG . . 3.590 3.187 3.184 3.189 . 0 0 "[ . 1 . 2]" 2
700 1 20 LYS HG2 1 31 HIS HE1 . . 5.010 3.904 3.725 4.035 . 0 0 "[ . 1 . 2]" 2
701 1 31 HIS HE1 1 34 ILE HG12 . . 4.910 4.431 4.315 4.544 . 0 0 "[ . 1 . 2]" 2
702 1 34 ILE HG12 1 35 HIS HE1 . . 5.220 4.784 4.711 4.851 . 0 0 "[ . 1 . 2]" 2
703 1 20 LYS H 1 20 LYS HG2 . . 4.060 2.837 2.715 2.947 . 0 0 "[ . 1 . 2]" 2
704 1 20 LYS HG3 1 21 ALA H . . 4.720 4.454 4.337 4.593 . 0 0 "[ . 1 . 2]" 2
705 1 20 LYS HG2 1 21 ALA H . . 4.720 4.272 4.171 4.354 . 0 0 "[ . 1 . 2]" 2
706 1 12 PRO HG3 1 13 TYR QD . . 4.000 3.748 3.660 3.852 . 0 0 "[ . 1 . 2]" 2
707 1 20 LYS HG3 1 22 PHE QE . . 5.240 4.075 4.025 4.149 . 0 0 "[ . 1 . 2]" 2
708 1 20 LYS HG2 1 22 PHE QE . . 5.240 4.900 4.826 4.970 . 0 0 "[ . 1 . 2]" 2
709 1 20 LYS HG2 1 31 HIS HD2 . . 5.500 5.382 5.263 5.511 0.011 13 0 "[ . 1 . 2]" 2
710 1 20 LYS HG3 1 22 PHE HZ . . 5.050 3.290 3.102 3.385 . 0 0 "[ . 1 . 2]" 2
711 1 20 LYS HG2 1 22 PHE HZ . . 5.050 4.722 4.555 4.826 . 0 0 "[ . 1 . 2]" 2
712 1 11 LYS HA 1 12 PRO HG2 . . 4.900 4.416 4.373 4.538 . 0 0 "[ . 1 . 2]" 2
713 1 12 PRO HG3 1 23 ARG HA . . 4.830 4.509 4.448 4.840 0.010 13 0 "[ . 1 . 2]" 2
714 1 20 LYS QE 1 20 LYS HG3 . . 3.580 2.269 2.139 2.490 . 0 0 "[ . 1 . 2]" 2
715 1 12 PRO HG2 1 13 TYR HB3 . . 5.450 5.256 5.223 5.292 . 0 0 "[ . 1 . 2]" 2
716 1 12 PRO HG2 1 13 TYR HB2 . . 4.980 4.010 3.948 4.081 . 0 0 "[ . 1 . 2]" 2
717 1 11 LYS HA 1 11 LYS HG3 . . 4.150 3.600 3.509 3.955 . 0 0 "[ . 1 . 2]" 2
718 1 11 LYS HA 1 11 LYS HG2 . . 3.450 2.582 2.471 3.000 . 0 0 "[ . 1 . 2]" 2
719 1 11 LYS HG3 1 12 PRO HD3 . . 5.500 5.322 5.205 5.695 0.195 20 0 "[ . 1 . 2]" 2
720 1 14 LYS HG3 1 15 CYS H . . 4.140 2.602 2.394 2.766 . 0 0 "[ . 1 . 2]" 2
721 1 16 TYR H 1 16 TYR QD . . 4.000 2.980 2.894 3.094 . 0 0 "[ . 1 . 2]" 2
722 1 13 TYR QD 1 14 LYS H . . 4.610 4.437 4.370 4.505 . 0 0 "[ . 1 . 2]" 2
723 1 14 LYS H 1 14 LYS HG2 . . 4.330 4.229 4.197 4.271 . 0 0 "[ . 1 . 2]" 2
724 1 13 TYR QD 1 25 ARG H . . 4.280 4.083 3.616 4.291 0.011 10 0 "[ . 1 . 2]" 2
725 1 14 LYS HG2 1 21 ALA HA . . 5.350 5.341 5.288 5.362 0.012 4 0 "[ . 1 . 2]" 2
726 1 14 LYS HG3 1 21 ALA HA . . 4.570 3.999 3.926 4.069 . 0 0 "[ . 1 . 2]" 2
727 1 13 TYR HA 1 13 TYR QD . . 3.170 2.530 2.423 2.619 . 0 0 "[ . 1 . 2]" 2
728 1 15 CYS HA 1 16 TYR QD . . 4.510 4.431 4.404 4.458 . 0 0 "[ . 1 . 2]" 2
729 1 16 TYR HA 1 16 TYR QD . . 3.320 2.224 2.176 2.283 . 0 0 "[ . 1 . 2]" 2
730 1 14 LYS HG3 1 16 TYR HA . . 4.830 4.791 4.651 4.842 0.012 12 0 "[ . 1 . 2]" 2
731 1 12 PRO HA 1 13 TYR QD . . 4.460 4.465 4.381 4.488 0.028 13 0 "[ . 1 . 2]" 2
732 1 14 LYS QE 1 16 TYR QD . . 4.380 3.779 3.489 4.265 . 0 0 "[ . 1 . 2]" 2
733 1 12 PRO HB2 1 13 TYR QD . . 4.230 2.754 2.700 2.817 . 0 0 "[ . 1 . 2]" 2
734 1 13 TYR QD 1 28 LEU HB3 . . 4.670 2.949 2.813 3.087 . 0 0 "[ . 1 . 2]" 2
735 1 16 TYR QD 1 17 GLU HG2 . . 5.500 5.252 5.157 5.357 . 0 0 "[ . 1 . 2]" 2
736 1 12 PRO HG2 1 13 TYR QD . . 3.510 2.111 1.991 2.246 . 0 0 "[ . 1 . 2]" 2
737 1 14 LYS QB 1 16 TYR QD . . 4.100 3.831 3.682 4.058 . 0 0 "[ . 1 . 2]" 2
738 1 13 TYR QD 1 25 ARG HB2 . . 4.010 3.471 3.304 3.758 . 0 0 "[ . 1 . 2]" 2
739 1 13 TYR QD 1 28 LEU HB2 . . 4.360 3.612 3.358 3.750 . 0 0 "[ . 1 . 2]" 2
740 1 14 LYS HG3 1 21 ALA MB . . 4.230 4.149 4.096 4.236 0.006 12 0 "[ . 1 . 2]" 2
741 1 14 LYS HG2 1 16 TYR QD . . 4.270 2.858 2.722 3.033 . 0 0 "[ . 1 . 2]" 2
742 1 13 TYR QD 1 28 LEU MD2 . . 3.260 2.132 1.972 2.471 . 0 0 "[ . 1 . 2]" 2
743 1 14 LYS HG3 1 16 TYR QD . . 4.930 4.517 4.392 4.597 . 0 0 "[ . 1 . 2]" 2
744 1 9 LYS H 1 9 LYS HG2 . . 5.500 3.942 1.889 5.044 . 0 0 "[ . 1 . 2]" 2
745 1 9 LYS H 1 9 LYS HG3 . . 5.500 3.976 2.541 4.751 . 0 0 "[ . 1 . 2]" 2
746 1 14 LYS HG3 1 15 CYS HA . . 4.950 4.674 4.484 4.789 . 0 0 "[ . 1 . 2]" 2
747 1 9 LYS HA 1 9 LYS HG3 . . 4.110 3.045 2.232 4.169 0.059 1 0 "[ . 1 . 2]" 2
748 1 14 LYS HG3 1 19 GLY HA2 . . 4.720 2.869 2.784 2.944 . 0 0 "[ . 1 . 2]" 2
749 1 22 PHE H 1 22 PHE QD . . 3.340 3.143 3.049 3.176 . 0 0 "[ . 1 . 2]" 2
750 1 22 PHE QD 1 27 ASN H . . 5.500 5.441 5.343 5.509 0.009 16 0 "[ . 1 . 2]" 2
751 1 22 PHE QD 1 32 GLN HE21 . . 5.500 5.422 5.247 5.500 . 0 0 "[ . 1 . 2]" 2
752 1 21 ALA HA 1 22 PHE QD . . 3.680 3.135 3.060 3.187 . 0 0 "[ . 1 . 2]" 2
753 1 22 PHE QD 1 27 ASN HA . . 4.750 4.346 4.201 4.483 . 0 0 "[ . 1 . 2]" 2
754 1 22 PHE QD 1 31 HIS HB3 . . 4.700 4.318 4.273 4.359 . 0 0 "[ . 1 . 2]" 2
755 1 13 TYR HB3 1 22 PHE QD . . 4.030 3.597 3.526 3.677 . 0 0 "[ . 1 . 2]" 2
756 1 22 PHE QD 1 28 LEU HB3 . . 4.190 3.851 3.755 4.017 . 0 0 "[ . 1 . 2]" 2
757 1 22 PHE QD 1 28 LEU HG . . 4.710 4.411 4.341 4.482 . 0 0 "[ . 1 . 2]" 2
758 1 21 ALA MB 1 22 PHE QD . . 4.450 4.282 4.239 4.310 . 0 0 "[ . 1 . 2]" 2
759 1 22 PHE QD 1 23 ARG H . . 5.070 4.180 4.072 4.271 . 0 0 "[ . 1 . 2]" 2
760 1 11 LYS HA 1 21 ALA HA . . 5.500 5.428 5.211 5.517 0.017 13 0 "[ . 1 . 2]" 2
761 1 13 TYR HA 1 21 ALA HA . . 5.500 5.347 5.304 5.398 . 0 0 "[ . 1 . 2]" 2
762 1 21 ALA HA 1 22 PHE HB2 . . 4.740 4.563 4.543 4.601 . 0 0 "[ . 1 . 2]" 2
763 1 11 LYS HB3 1 21 ALA HA . . 5.110 4.159 4.060 4.435 . 0 0 "[ . 1 . 2]" 2
764 1 21 ALA HA 1 28 LEU HB2 . . 5.500 5.107 5.019 5.232 . 0 0 "[ . 1 . 2]" 2
765 1 11 LYS HG2 1 12 PRO HD3 . . 5.180 4.885 4.400 4.987 . 0 0 "[ . 1 . 2]" 2
766 1 15 CYS H 1 28 LEU MD1 . . 3.660 3.154 3.047 3.236 . 0 0 "[ . 1 . 2]" 2
767 1 28 LEU MD1 1 29 THR H . . 4.020 3.755 3.712 3.838 . 0 0 "[ . 1 . 2]" 2
768 1 14 LYS H 1 28 LEU MD1 . . 4.740 4.750 4.737 4.763 0.023 10 0 "[ . 1 . 2]" 2
769 1 11 LYS H 1 12 PRO HD2 . . 4.920 2.729 2.414 2.923 . 0 0 "[ . 1 . 2]" 2
770 1 12 PRO HD3 1 13 TYR H . . 3.920 3.840 3.836 3.849 . 0 0 "[ . 1 . 2]" 2
771 1 28 LEU MD1 1 32 GLN HE21 . . 3.640 1.950 1.867 2.188 . 0 0 "[ . 1 . 2]" 2
772 1 22 PHE QD 1 28 LEU MD1 . . 3.040 2.189 1.971 2.365 . 0 0 "[ . 1 . 2]" 2
773 1 28 LEU MD1 1 32 GLN HE22 . . 4.020 3.081 2.999 3.158 . 0 0 "[ . 1 . 2]" 2
774 1 13 TYR QD 1 28 LEU MD1 . . 4.880 4.551 4.453 4.691 . 0 0 "[ . 1 . 2]" 2
775 1 12 PRO HD2 1 13 TYR QD . . 4.130 3.905 3.766 4.052 . 0 0 "[ . 1 . 2]" 2
776 1 12 PRO HD3 1 13 TYR QD . . 5.000 4.876 4.774 4.993 . 0 0 "[ . 1 . 2]" 2
777 1 22 PHE QE 1 28 LEU MD1 . . 3.020 2.173 2.052 2.301 . 0 0 "[ . 1 . 2]" 2
778 1 21 ALA HA 1 28 LEU MD1 . . 4.580 4.331 4.236 4.437 . 0 0 "[ . 1 . 2]" 2
779 1 15 CYS HA 1 28 LEU MD1 . . 3.140 2.379 2.257 2.476 . 0 0 "[ . 1 . 2]" 2
780 1 12 PRO HD2 1 23 ARG HA . . 2.930 2.025 1.986 2.380 . 0 0 "[ . 1 . 2]" 2
781 1 12 PRO HD3 1 23 ARG HA . . 4.130 3.310 3.186 3.773 . 0 0 "[ . 1 . 2]" 2
782 1 28 LEU MD1 1 29 THR HB . . 5.500 5.509 5.497 5.527 0.027 18 0 "[ . 1 . 2]" 2
783 1 28 LEU MD1 1 32 GLN HA . . 4.360 4.252 4.175 4.301 . 0 0 "[ . 1 . 2]" 2
784 1 15 CYS HB3 1 28 LEU MD1 . . 3.600 3.605 3.545 3.624 0.024 19 0 "[ . 1 . 2]" 2
785 1 28 LEU MD1 1 31 HIS HB3 . . 3.700 3.507 3.449 3.553 . 0 0 "[ . 1 . 2]" 2
786 1 15 CYS HB2 1 28 LEU MD1 . . 3.050 2.245 2.178 2.271 . 0 0 "[ . 1 . 2]" 2
787 1 28 LEU MD1 1 32 GLN HG2 . . 3.420 2.495 2.350 2.619 . 0 0 "[ . 1 . 2]" 2
788 1 28 LEU MD1 1 32 GLN HB3 . . 4.510 4.407 4.318 4.515 0.005 13 0 "[ . 1 . 2]" 2
789 1 28 LEU HB3 1 28 LEU MD1 . . 3.460 3.192 3.186 3.196 . 0 0 "[ . 1 . 2]" 2
790 1 11 LYS HB3 1 12 PRO HD2 . . 4.860 4.613 4.557 4.717 . 0 0 "[ . 1 . 2]" 2
791 1 28 LEU HB2 1 28 LEU MD1 . . 3.200 2.381 2.288 2.463 . 0 0 "[ . 1 . 2]" 2
792 1 11 LYS HG2 1 12 PRO HD2 . . 4.800 4.543 4.518 4.568 . 0 0 "[ . 1 . 2]" 2
793 1 42 GLY HA2 1 43 PRO QD . . 3.340 2.355 1.862 3.272 . 0 0 "[ . 1 . 2]" 2
794 1 42 GLY HA3 1 43 PRO QD . . 3.340 2.455 1.853 3.357 0.017 8 0 "[ . 1 . 2]" 2
795 1 22 PHE QE 1 31 HIS HE1 . . 5.260 5.263 5.203 5.304 0.044 18 0 "[ . 1 . 2]" 2
796 1 21 ALA H 1 22 PHE QE . . 4.820 3.746 3.673 3.805 . 0 0 "[ . 1 . 2]" 2
797 1 21 ALA HA 1 22 PHE QE . . 4.720 4.077 3.961 4.117 . 0 0 "[ . 1 . 2]" 2
798 1 22 PHE QE 1 31 HIS HA . . 5.130 4.992 4.947 5.039 . 0 0 "[ . 1 . 2]" 2
799 1 20 LYS HA 1 22 PHE QE . . 5.000 4.729 4.657 4.804 . 0 0 "[ . 1 . 2]" 2
800 1 20 LYS QE 1 22 PHE QE . . 4.760 3.729 2.720 4.764 0.004 7 0 "[ . 1 . 2]" 2
801 1 20 LYS QD 1 22 PHE QE . . 4.520 4.167 3.873 4.416 . 0 0 "[ . 1 . 2]" 2
802 1 15 CYS H 1 21 ALA MB . . 4.410 4.389 4.347 4.418 0.008 13 0 "[ . 1 . 2]" 2
803 1 21 ALA MB 1 22 PHE H . . 3.200 2.493 2.462 2.569 . 0 0 "[ . 1 . 2]" 2
804 1 21 ALA MB 1 22 PHE QE . . 5.000 4.899 4.835 4.922 . 0 0 "[ . 1 . 2]" 2
805 1 12 PRO HD2 1 21 ALA MB . . 5.500 5.527 5.504 5.557 0.057 10 0 "[ . 1 . 2]" 2
806 1 21 ALA MB 1 22 PHE HB3 . . 5.500 5.468 5.447 5.481 . 0 0 "[ . 1 . 2]" 2
807 1 11 LYS HA 1 21 ALA MB . . 3.910 3.864 3.696 3.920 0.010 14 0 "[ . 1 . 2]" 2
808 1 29 THR MG 1 32 GLN HB2 . . 4.220 3.031 2.832 3.128 . 0 0 "[ . 1 . 2]" 2
809 1 24 THR H 1 24 THR MG . . 3.320 2.325 2.057 2.625 . 0 0 "[ . 1 . 2]" 2
810 1 29 THR MG 1 33 VAL H . . 4.330 4.084 3.942 4.254 . 0 0 "[ . 1 . 2]" 2
811 1 29 THR HA 1 29 THR MG . . 2.910 2.453 2.374 2.521 . 0 0 "[ . 1 . 2]" 2
812 1 24 THR MG 1 27 ASN HB3 . . 4.760 4.542 4.406 4.777 0.017 14 0 "[ . 1 . 2]" 2
813 1 29 THR MG 1 32 GLN HG3 . . 5.170 4.281 4.137 4.360 . 0 0 "[ . 1 . 2]" 2
814 1 30 THR MG 1 31 HIS HB2 . . 3.940 3.929 3.899 3.949 0.009 13 0 "[ . 1 . 2]" 2
815 1 35 HIS H 1 36 THR MG . . 4.230 3.410 3.035 3.601 . 0 0 "[ . 1 . 2]" 2
816 1 33 VAL H 1 36 THR MG . . 4.890 3.852 3.688 4.050 . 0 0 "[ . 1 . 2]" 2
817 1 35 HIS HD2 1 36 THR MG . . 5.080 4.737 4.628 4.865 . 0 0 "[ . 1 . 2]" 2
818 1 36 THR HA 1 36 THR MG . . 2.880 2.451 2.324 2.593 . 0 0 "[ . 1 . 2]" 2
819 1 36 THR MG 1 37 GLY QA . . 5.170 5.043 4.906 5.168 . 0 0 "[ . 1 . 2]" 2
820 1 33 VAL HA 1 36 THR MG . . 3.580 2.115 1.907 2.478 . 0 0 "[ . 1 . 2]" 2
821 1 35 HIS HB2 1 36 THR MG . . 4.260 3.182 3.015 3.341 . 0 0 "[ . 1 . 2]" 2
822 1 23 ARG HD2 1 24 THR MG . . 4.620 4.374 3.846 4.631 0.011 17 0 "[ . 1 . 2]" 2
823 1 35 HIS HB3 1 36 THR MG . . 4.400 4.285 4.137 4.409 0.009 8 0 "[ . 1 . 2]" 2
824 1 32 GLN H 1 33 VAL MG2 . . 4.190 3.768 3.660 3.818 . 0 0 "[ . 1 . 2]" 2
825 1 33 VAL MG2 1 34 ILE H . . 3.820 3.804 3.755 3.834 0.014 16 0 "[ . 1 . 2]" 2
826 1 33 VAL MG2 1 35 HIS H . . 5.410 5.170 5.125 5.204 . 0 0 "[ . 1 . 2]" 2
827 1 33 VAL H 1 33 VAL MG2 . . 2.860 2.020 1.872 2.093 . 0 0 "[ . 1 . 2]" 2
828 1 33 VAL HA 1 33 VAL MG2 . . 2.850 2.360 2.338 2.418 . 0 0 "[ . 1 . 2]" 2
829 1 32 GLN HA 1 33 VAL MG2 . . 4.980 4.919 4.863 4.948 . 0 0 "[ . 1 . 2]" 2
830 1 31 HIS HB3 1 33 VAL MG2 . . 5.500 5.451 5.385 5.513 0.013 5 0 "[ . 1 . 2]" 2
831 1 32 GLN HG3 1 33 VAL MG2 . . 5.500 5.501 5.449 5.531 0.031 13 0 "[ . 1 . 2]" 2
832 1 33 VAL MG1 1 34 ILE H . . 3.790 3.673 3.569 3.794 0.004 8 0 "[ . 1 . 2]" 2
833 1 33 VAL MG1 1 35 HIS H . . 4.730 4.731 4.697 4.748 0.018 13 0 "[ . 1 . 2]" 2
834 1 33 VAL H 1 33 VAL MG1 . . 3.860 3.760 3.758 3.765 . 0 0 "[ . 1 . 2]" 2
835 1 33 VAL MG1 1 36 THR HB . . 4.680 4.358 4.212 4.552 . 0 0 "[ . 1 . 2]" 2
836 1 33 VAL HA 1 33 VAL MG1 . . 3.000 2.305 2.239 2.412 . 0 0 "[ . 1 . 2]" 2
837 1 33 VAL MG1 1 34 ILE MG . . 3.990 3.972 3.890 3.996 0.006 10 0 "[ . 1 . 2]" 2
838 1 22 PHE HZ 1 31 HIS HA . . 5.120 4.925 4.871 4.971 . 0 0 "[ . 1 . 2]" 2
839 1 20 LYS HA 1 22 PHE HZ . . 5.390 5.296 5.129 5.396 0.006 13 0 "[ . 1 . 2]" 2
840 1 15 CYS HB3 1 22 PHE HZ . . 5.080 4.855 4.780 4.901 . 0 0 "[ . 1 . 2]" 2
841 1 22 PHE HZ 1 28 LEU HA . . 4.880 3.813 3.700 3.916 . 0 0 "[ . 1 . 2]" 2
842 1 22 PHE HZ 1 31 HIS HB3 . . 4.020 2.543 2.450 2.616 . 0 0 "[ . 1 . 2]" 2
843 1 20 LYS QE 1 22 PHE HZ . . 4.320 3.130 1.983 4.301 . 0 0 "[ . 1 . 2]" 2
844 1 22 PHE HZ 1 31 HIS HB2 . . 3.810 3.019 2.973 3.079 . 0 0 "[ . 1 . 2]" 2
845 1 20 LYS QD 1 22 PHE HZ . . 4.450 3.832 3.482 4.085 . 0 0 "[ . 1 . 2]" 2
846 1 20 LYS HB3 1 22 PHE HZ . . 3.870 2.733 2.571 2.836 . 0 0 "[ . 1 . 2]" 2
847 1 20 LYS HB2 1 22 PHE HZ . . 3.710 3.085 2.937 3.182 . 0 0 "[ . 1 . 2]" 2
848 1 22 PHE HZ 1 28 LEU MD1 . . 4.210 3.637 3.491 3.800 . 0 0 "[ . 1 . 2]" 2
849 1 8 THR HA 1 9 LYS QB . . 4.430 4.177 3.837 4.410 . 0 0 "[ . 1 . 2]" 2
850 1 9 LYS H 1 9 LYS QB . . 3.590 2.480 2.157 2.999 . 0 0 "[ . 1 . 2]" 2
851 1 9 LYS HA 1 9 LYS QG . . 3.530 2.548 2.189 3.377 . 0 0 "[ . 1 . 2]" 2
852 1 9 LYS QB 1 9 LYS QE . . 3.920 2.915 2.140 3.740 . 0 0 "[ . 1 . 2]" 2
853 1 9 LYS QB 1 10 GLU H . . 4.480 3.147 2.117 4.023 . 0 0 "[ . 1 . 2]" 2
854 1 10 GLU H 1 10 GLU QB . . 3.590 2.599 2.095 3.191 . 0 0 "[ . 1 . 2]" 2
855 1 10 GLU QB 1 11 LYS H . . 4.210 2.966 2.523 3.404 . 0 0 "[ . 1 . 2]" 2
856 1 10 GLU QB 1 11 LYS HA . . 5.090 4.776 4.129 5.139 0.049 17 0 "[ . 1 . 2]" 2
857 1 10 GLU QB 1 11 LYS HG2 . . 4.830 3.739 2.821 4.377 . 0 0 "[ . 1 . 2]" 2
858 1 10 GLU QB 1 11 LYS HG3 . . 4.180 3.242 2.674 3.973 . 0 0 "[ . 1 . 2]" 2
859 1 10 GLU QB 1 12 PRO HD2 . . 5.340 5.217 4.803 5.386 0.046 7 0 "[ . 1 . 2]" 2
860 1 10 GLU QB 1 12 PRO HD3 . . 4.610 4.294 4.187 4.374 . 0 0 "[ . 1 . 2]" 2
861 1 10 GLU QB 1 23 ARG HA . . 5.340 5.073 4.444 5.343 0.003 14 0 "[ . 1 . 2]" 2
862 1 11 LYS H 1 23 ARG QG . . 4.630 2.375 1.873 3.051 . 0 0 "[ . 1 . 2]" 2
863 1 11 LYS HA 1 23 ARG QB . . 4.650 3.961 3.851 4.243 . 0 0 "[ . 1 . 2]" 2
864 1 11 LYS HA 1 23 ARG QG . . 4.080 2.958 2.729 3.186 . 0 0 "[ . 1 . 2]" 2
865 1 11 LYS HG2 1 23 ARG QB . . 5.040 4.116 3.872 4.629 . 0 0 "[ . 1 . 2]" 2
866 1 11 LYS HG2 1 23 ARG QG . . 3.740 2.090 1.906 2.524 . 0 0 "[ . 1 . 2]" 2
867 1 11 LYS QD 1 23 ARG QG . . 4.420 3.420 2.064 3.895 . 0 0 "[ . 1 . 2]" 2
868 1 11 LYS QD 1 23 ARG QD . . 5.340 5.174 3.951 5.364 0.024 14 0 "[ . 1 . 2]" 2
869 1 11 LYS QE 1 23 ARG QB . . 5.340 4.909 4.600 5.295 . 0 0 "[ . 1 . 2]" 2
870 1 11 LYS QE 1 23 ARG QG . . 3.550 3.021 2.657 3.346 . 0 0 "[ . 1 . 2]" 2
871 1 11 LYS QE 1 23 ARG QD . . 4.830 4.308 3.926 4.736 . 0 0 "[ . 1 . 2]" 2
872 1 12 PRO HD2 1 23 ARG QB . . 4.650 3.897 3.754 4.340 . 0 0 "[ . 1 . 2]" 2
873 1 13 TYR QD 1 25 ARG QD . . 3.880 3.159 2.286 3.899 0.019 15 0 "[ . 1 . 2]" 2
874 1 13 TYR QE 1 25 ARG QG . . 4.040 2.932 1.915 3.874 . 0 0 "[ . 1 . 2]" 2
875 1 13 TYR QE 1 25 ARG QD . . 4.150 3.111 1.978 4.038 . 0 0 "[ . 1 . 2]" 2
876 1 15 CYS HB2 1 20 LYS QG . . 5.290 4.289 4.142 4.446 . 0 0 "[ . 1 . 2]" 2
877 1 15 CYS HB3 1 20 LYS QG . . 4.480 3.745 3.609 3.886 . 0 0 "[ . 1 . 2]" 2
878 1 16 TYR HB2 1 17 GLU QG . . 4.080 3.652 3.586 3.672 . 0 0 "[ . 1 . 2]" 2
879 1 16 TYR QD 1 17 GLU QG . . 4.850 4.771 4.704 4.834 . 0 0 "[ . 1 . 2]" 2
880 1 17 GLU QG 1 18 CYS H . . 4.030 3.659 3.619 3.759 . 0 0 "[ . 1 . 2]" 2
881 1 17 GLU QG 1 32 GLN HG2 . . 4.290 3.166 3.081 3.259 . 0 0 "[ . 1 . 2]" 2
882 1 17 GLU QG 1 35 HIS HB3 . . 4.710 4.270 4.150 4.338 . 0 0 "[ . 1 . 2]" 2
883 1 17 GLU QG 1 35 HIS HD2 . . 4.190 3.279 3.225 3.347 . 0 0 "[ . 1 . 2]" 2
884 1 18 CYS HB2 1 20 LYS QG . . 4.460 3.939 3.849 4.106 . 0 0 "[ . 1 . 2]" 2
885 1 18 CYS HB3 1 20 LYS QG . . 4.990 4.430 4.303 4.558 . 0 0 "[ . 1 . 2]" 2
886 1 19 GLY H 1 20 LYS QG . . 4.520 4.060 3.901 4.237 . 0 0 "[ . 1 . 2]" 2
887 1 20 LYS H 1 20 LYS QG . . 3.220 2.740 2.626 2.841 . 0 0 "[ . 1 . 2]" 2
888 1 20 LYS HA 1 20 LYS QG . . 3.160 2.466 2.379 2.562 . 0 0 "[ . 1 . 2]" 2
889 1 20 LYS QG 1 21 ALA H . . 4.140 3.880 3.822 3.961 . 0 0 "[ . 1 . 2]" 2
890 1 20 LYS QG 1 22 PHE QE . . 4.620 3.885 3.835 3.952 . 0 0 "[ . 1 . 2]" 2
891 1 20 LYS QG 1 22 PHE HZ . . 4.410 3.231 3.053 3.320 . 0 0 "[ . 1 . 2]" 2
892 1 20 LYS QG 1 31 HIS HE1 . . 4.180 2.520 2.404 2.627 . 0 0 "[ . 1 . 2]" 2
893 1 20 LYS QG 1 34 ILE MD . . 5.210 3.948 3.842 4.080 . 0 0 "[ . 1 . 2]" 2
894 1 22 PHE QD 1 27 ASN QB . . 4.240 3.044 2.451 3.253 . 0 0 "[ . 1 . 2]" 2
895 1 22 PHE QE 1 27 ASN QB . . 5.340 4.913 4.423 5.098 . 0 0 "[ . 1 . 2]" 2
896 1 23 ARG H 1 23 ARG QG . . 4.790 2.298 2.052 2.786 . 0 0 "[ . 1 . 2]" 2
897 1 23 ARG H 1 23 ARG QD . . 5.150 3.957 1.873 4.227 . 0 0 "[ . 1 . 2]" 2
898 1 23 ARG HA 1 23 ARG QD . . 3.820 3.746 2.235 3.898 0.078 13 0 "[ . 1 . 2]" 2
899 1 23 ARG QB 1 24 THR H . . 3.500 2.283 2.129 2.550 . 0 0 "[ . 1 . 2]" 2
900 1 23 ARG QB 1 24 THR MG . . 3.240 2.367 2.208 2.410 . 0 0 "[ . 1 . 2]" 2
901 1 23 ARG QG 1 24 THR H . . 4.330 3.899 3.734 4.276 . 0 0 "[ . 1 . 2]" 2
902 1 23 ARG QG 1 24 THR MG . . 4.270 4.252 4.201 4.333 0.063 13 0 "[ . 1 . 2]" 2
903 1 23 ARG QD 1 24 THR MG . . 3.930 3.899 3.530 3.956 0.026 8 0 "[ . 1 . 2]" 2
904 1 24 THR H 1 27 ASN QB . . 3.370 2.714 2.493 2.877 . 0 0 "[ . 1 . 2]" 2
905 1 24 THR MG 1 26 SER QB . . 4.960 4.511 4.413 4.575 . 0 0 "[ . 1 . 2]" 2
906 1 24 THR MG 1 27 ASN QB . . 4.170 3.696 3.449 3.968 . 0 0 "[ . 1 . 2]" 2
907 1 25 ARG H 1 25 ARG QG . . 4.180 3.967 3.831 4.051 . 0 0 "[ . 1 . 2]" 2
908 1 25 ARG H 1 25 ARG QD . . 4.970 4.278 4.092 4.408 . 0 0 "[ . 1 . 2]" 2
909 1 25 ARG QG 1 28 LEU MD2 . . 4.640 3.590 2.566 4.261 . 0 0 "[ . 1 . 2]" 2
910 1 25 ARG QD 1 26 SER HA . . 5.320 4.217 3.091 5.122 . 0 0 "[ . 1 . 2]" 2
911 1 25 ARG QD 1 28 LEU H . . 4.310 4.061 3.672 4.304 . 0 0 "[ . 1 . 2]" 2
912 1 25 ARG QD 1 28 LEU HB3 . . 3.590 3.002 2.687 3.416 . 0 0 "[ . 1 . 2]" 2
913 1 25 ARG QD 1 28 LEU MD2 . . 3.560 2.758 2.132 3.564 0.004 7 0 "[ . 1 . 2]" 2
914 1 25 ARG QD 1 29 THR H . . 4.020 2.889 2.495 3.317 . 0 0 "[ . 1 . 2]" 2
915 1 26 SER QB 1 27 ASN H . . 3.790 2.526 2.433 2.683 . 0 0 "[ . 1 . 2]" 2
916 1 26 SER QB 1 28 LEU H . . 5.000 4.572 4.480 4.689 . 0 0 "[ . 1 . 2]" 2
917 1 27 ASN H 1 27 ASN QB . . 3.360 2.192 2.158 2.231 . 0 0 "[ . 1 . 2]" 2
918 1 27 ASN HA 1 27 ASN QD . . 4.000 3.356 1.992 4.013 0.013 8 0 "[ . 1 . 2]" 2
919 1 27 ASN QB 1 27 ASN QD . . 2.830 2.191 2.063 2.536 . 0 0 "[ . 1 . 2]" 2
920 1 27 ASN QB 1 28 LEU H . . 3.320 2.790 2.714 2.923 . 0 0 "[ . 1 . 2]" 2
921 1 27 ASN QB 1 28 LEU HA . . 4.960 3.998 3.929 4.077 . 0 0 "[ . 1 . 2]" 2
922 1 27 ASN QB 1 28 LEU HB3 . . 4.630 4.379 4.302 4.462 . 0 0 "[ . 1 . 2]" 2
923 1 27 ASN QB 1 29 THR H . . 5.270 5.132 5.025 5.247 . 0 0 "[ . 1 . 2]" 2
924 1 27 ASN QB 1 30 THR HB . . 5.340 4.945 4.829 5.013 . 0 0 "[ . 1 . 2]" 2
925 1 37 GLY QA 1 38 GLU QB . . 4.570 3.989 3.668 4.524 . 0 0 "[ . 1 . 2]" 2
926 1 37 GLY QA 1 38 GLU QG . . 5.340 4.626 3.502 5.349 0.009 8 0 "[ . 1 . 2]" 2
927 1 38 GLU H 1 38 GLU QB . . 3.550 2.613 2.188 3.259 . 0 0 "[ . 1 . 2]" 2
928 1 38 GLU H 1 38 GLU QG . . 4.320 3.371 1.868 4.321 0.001 12 0 "[ . 1 . 2]" 2
929 1 38 GLU QB 1 39 LYS H . . 4.390 3.234 2.077 4.042 . 0 0 "[ . 1 . 2]" 2
930 1 42 GLY QA 1 43 PRO QD . . 2.910 1.919 1.837 2.035 . 0 0 "[ . 1 . 2]" 2
stop_
save_
Contact the webmaster for help, if required. Saturday, May 18, 2024 9:02:22 AM GMT (wattos1)