NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
508477 |
2ep0   |
10210 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2ep0
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 105
_Distance_constraint_stats_list.Viol_total 6.778
_Distance_constraint_stats_list.Viol_max 0.009
_Distance_constraint_stats_list.Viol_rms 0.0022
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0014
_Distance_constraint_stats_list.Viol_average_violations_only 0.0032
_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 0.211 0.008 17 0 "[ . 1 . 2]"
1 18 CYS 0.112 0.009 17 0 "[ . 1 . 2]"
1 31 HIS 0.193 0.009 17 0 "[ . 1 . 2]"
1 35 HIS 0.017 0.003 17 0 "[ . 1 . 2]"
2 1 ZN 0.145 0.008 17 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 15 CYS SG 2 1 ZN ZN . 2.190 2.390 2.393 2.390 2.397 0.007 10 0 "[ . 1 . 2]" 1
2 1 15 CYS CB 2 1 ZN ZN . 3.250 3.510 3.248 3.242 3.263 0.008 17 0 "[ . 1 . 2]" 1
3 1 18 CYS SG 2 1 ZN ZN . 2.190 2.390 2.360 2.292 2.392 0.002 19 0 "[ . 1 . 2]" 1
4 1 18 CYS CB 2 1 ZN ZN . 3.250 3.510 3.449 3.313 3.512 0.002 2 0 "[ . 1 . 2]" 1
5 1 31 HIS NE2 2 1 ZN ZN . . 2.100 2.040 1.942 2.102 0.002 14 0 "[ . 1 . 2]" 1
6 1 35 HIS NE2 2 1 ZN ZN . . 2.100 1.912 1.897 2.059 0.003 17 0 "[ . 1 . 2]" 1
7 1 15 CYS SG 1 18 CYS SG . 3.560 3.960 3.888 3.807 3.960 . 0 0 "[ . 1 . 2]" 1
8 1 15 CYS SG 1 31 HIS NE2 . 3.320 3.720 3.724 3.721 3.728 0.008 17 0 "[ . 1 . 2]" 1
9 1 15 CYS SG 1 35 HIS NE2 . 3.320 3.720 3.453 3.317 3.723 0.003 15 0 "[ . 1 . 2]" 1
10 1 18 CYS SG 1 31 HIS NE2 . 3.320 3.720 3.315 3.311 3.319 0.009 17 0 "[ . 1 . 2]" 1
11 1 18 CYS SG 1 35 HIS NE2 . 3.320 3.720 3.452 3.339 3.675 . 0 0 "[ . 1 . 2]" 1
12 1 31 HIS NE2 1 35 HIS NE2 . 3.000 3.600 3.432 3.301 3.575 . 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 768
_Distance_constraint_stats_list.Viol_count 592
_Distance_constraint_stats_list.Viol_total 145.206
_Distance_constraint_stats_list.Viol_max 0.062
_Distance_constraint_stats_list.Viol_rms 0.0031
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0005
_Distance_constraint_stats_list.Viol_average_violations_only 0.0123
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 8 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 GLU 0.017 0.006 8 0 "[ . 1 . 2]"
1 11 LYS 0.711 0.062 10 0 "[ . 1 . 2]"
1 12 PRO 0.207 0.042 9 0 "[ . 1 . 2]"
1 13 TYR 0.899 0.050 17 0 "[ . 1 . 2]"
1 14 LYS 0.492 0.055 17 0 "[ . 1 . 2]"
1 15 CYS 0.603 0.031 9 0 "[ . 1 . 2]"
1 16 ASP 0.216 0.029 9 0 "[ . 1 . 2]"
1 17 VAL 0.987 0.029 9 0 "[ . 1 . 2]"
1 18 CYS 0.230 0.018 15 0 "[ . 1 . 2]"
1 19 HIS 0.164 0.027 6 0 "[ . 1 . 2]"
1 20 LYS 0.423 0.030 12 0 "[ . 1 . 2]"
1 21 SER 0.897 0.055 17 0 "[ . 1 . 2]"
1 22 PHE 1.283 0.046 4 0 "[ . 1 . 2]"
1 23 ARG 0.479 0.062 10 0 "[ . 1 . 2]"
1 24 TYR 0.357 0.047 4 0 "[ . 1 . 2]"
1 25 GLY 0.094 0.047 4 0 "[ . 1 . 2]"
1 26 SER 0.020 0.012 20 0 "[ . 1 . 2]"
1 27 SER 0.274 0.021 11 0 "[ . 1 . 2]"
1 28 LEU 0.638 0.042 4 0 "[ . 1 . 2]"
1 29 THR 0.624 0.046 4 0 "[ . 1 . 2]"
1 30 VAL 0.454 0.021 11 0 "[ . 1 . 2]"
1 31 HIS 1.094 0.047 12 0 "[ . 1 . 2]"
1 32 GLN 0.141 0.014 10 0 "[ . 1 . 2]"
1 33 ARG 0.118 0.023 9 0 "[ . 1 . 2]"
1 34 ILE 0.659 0.044 19 0 "[ . 1 . 2]"
1 35 HIS 0.719 0.044 19 0 "[ . 1 . 2]"
1 36 THR 0.136 0.027 1 0 "[ . 1 . 2]"
1 37 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 39 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 40 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 42 GLY 0.003 0.003 6 0 "[ . 1 . 2]"
1 43 PRO 0.003 0.003 6 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 36 THR HB 1 37 GLY H . . 4.970 4.185 3.802 4.640 . 0 0 "[ . 1 . 2]" 2
2 1 19 HIS H 1 20 LYS H . . 3.570 2.668 2.561 2.784 . 0 0 "[ . 1 . 2]" 2
3 1 20 LYS H 1 22 PHE QE . . 4.280 3.716 3.621 3.827 . 0 0 "[ . 1 . 2]" 2
4 1 19 HIS HA 1 20 LYS H . . 3.530 2.681 2.625 2.760 . 0 0 "[ . 1 . 2]" 2
5 1 15 CYS HB2 1 20 LYS H . . 3.380 2.196 2.128 2.289 . 0 0 "[ . 1 . 2]" 2
6 1 15 CYS HB3 1 20 LYS H . . 3.690 1.876 1.861 1.889 . 0 0 "[ . 1 . 2]" 2
7 1 20 LYS H 1 20 LYS HB2 . . 3.020 2.272 2.238 2.321 . 0 0 "[ . 1 . 2]" 2
8 1 11 LYS H 1 21 SER QB . . 4.520 3.036 2.376 3.950 . 0 0 "[ . 1 . 2]" 2
9 1 11 LYS H 1 11 LYS QE . . 5.180 3.605 2.004 4.912 . 0 0 "[ . 1 . 2]" 2
10 1 11 LYS H 1 11 LYS HB2 . . 4.130 2.563 2.264 2.785 . 0 0 "[ . 1 . 2]" 2
11 1 11 LYS H 1 11 LYS HB3 . . 4.130 3.643 3.534 3.839 . 0 0 "[ . 1 . 2]" 2
12 1 16 ASP H 1 17 VAL H . . 3.700 2.349 2.104 2.499 . 0 0 "[ . 1 . 2]" 2
13 1 17 VAL H 1 35 HIS HD2 . . 5.070 4.868 4.776 4.950 . 0 0 "[ . 1 . 2]" 2
14 1 15 CYS HA 1 17 VAL H . . 4.100 3.888 3.847 3.945 . 0 0 "[ . 1 . 2]" 2
15 1 15 CYS HB2 1 17 VAL H . . 4.510 4.254 4.227 4.329 . 0 0 "[ . 1 . 2]" 2
16 1 16 ASP QB 1 17 VAL H . . 3.630 3.609 3.427 3.659 0.029 9 0 "[ . 1 . 2]" 2
17 1 17 VAL H 1 17 VAL MG2 . . 3.790 3.680 3.636 3.703 . 0 0 "[ . 1 . 2]" 2
18 1 38 GLU H 1 38 GLU HG2 . . 5.420 4.339 2.293 5.236 . 0 0 "[ . 1 . 2]" 2
19 1 38 GLU H 1 38 GLU HG3 . . 5.420 3.936 2.851 5.016 . 0 0 "[ . 1 . 2]" 2
20 1 31 HIS H 1 32 GLN HA . . 5.070 4.987 4.923 5.031 . 0 0 "[ . 1 . 2]" 2
21 1 10 GLU H 1 10 GLU HG2 . . 5.240 3.881 1.935 4.956 . 0 0 "[ . 1 . 2]" 2
22 1 10 GLU H 1 10 GLU HG3 . . 5.240 3.789 1.900 4.749 . 0 0 "[ . 1 . 2]" 2
23 1 30 VAL H 1 31 HIS H . . 3.390 2.760 2.719 2.777 . 0 0 "[ . 1 . 2]" 2
24 1 31 HIS H 1 33 ARG H . . 4.290 3.709 3.668 3.752 . 0 0 "[ . 1 . 2]" 2
25 1 28 LEU H 1 31 HIS H . . 4.900 4.837 4.775 4.893 . 0 0 "[ . 1 . 2]" 2
26 1 31 HIS H 1 31 HIS HD2 . . 4.280 4.226 4.200 4.246 . 0 0 "[ . 1 . 2]" 2
27 1 22 PHE HZ 1 31 HIS H . . 5.420 5.236 5.096 5.406 . 0 0 "[ . 1 . 2]" 2
28 1 29 THR HA 1 31 HIS H . . 4.460 3.769 3.687 3.828 . 0 0 "[ . 1 . 2]" 2
29 1 28 LEU HA 1 31 HIS H . . 3.700 3.675 3.598 3.709 0.009 11 0 "[ . 1 . 2]" 2
30 1 31 HIS H 1 31 HIS HB3 . . 3.160 2.211 2.196 2.230 . 0 0 "[ . 1 . 2]" 2
31 1 31 HIS H 1 31 HIS HB2 . . 3.350 3.168 3.140 3.200 . 0 0 "[ . 1 . 2]" 2
32 1 31 HIS H 1 32 GLN HB2 . . 4.670 4.568 4.495 4.641 . 0 0 "[ . 1 . 2]" 2
33 1 30 VAL HB 1 31 HIS H . . 3.330 3.087 3.029 3.158 . 0 0 "[ . 1 . 2]" 2
34 1 28 LEU HG 1 31 HIS H . . 5.020 4.951 4.866 5.014 . 0 0 "[ . 1 . 2]" 2
35 1 29 THR MG 1 31 HIS H . . 4.440 4.382 4.326 4.443 0.003 4 0 "[ . 1 . 2]" 2
36 1 30 VAL MG2 1 31 HIS H . . 4.130 4.026 4.002 4.052 . 0 0 "[ . 1 . 2]" 2
37 1 30 VAL H 1 32 GLN H . . 4.590 4.442 4.395 4.516 . 0 0 "[ . 1 . 2]" 2
38 1 30 VAL H 1 31 HIS HB3 . . 4.940 4.699 4.653 4.724 . 0 0 "[ . 1 . 2]" 2
39 1 30 VAL H 1 33 ARG H . . 5.480 5.337 5.288 5.408 . 0 0 "[ . 1 . 2]" 2
40 1 29 THR HB 1 30 VAL H . . 3.230 2.302 2.285 2.329 . 0 0 "[ . 1 . 2]" 2
41 1 28 LEU HA 1 30 VAL H . . 4.890 4.863 4.804 4.893 0.003 20 0 "[ . 1 . 2]" 2
42 1 30 VAL H 1 32 GLN HG3 . . 5.190 5.071 5.011 5.126 . 0 0 "[ . 1 . 2]" 2
43 1 30 VAL H 1 30 VAL HB . . 3.100 2.582 2.557 2.601 . 0 0 "[ . 1 . 2]" 2
44 1 29 THR MG 1 30 VAL H . . 3.670 3.170 3.111 3.209 . 0 0 "[ . 1 . 2]" 2
45 1 30 VAL H 1 30 VAL MG2 . . 2.950 2.235 2.140 2.281 . 0 0 "[ . 1 . 2]" 2
46 1 13 TYR H 1 21 SER HA . . 4.880 4.718 4.632 4.830 . 0 0 "[ . 1 . 2]" 2
47 1 13 TYR H 1 28 LEU HB2 . . 5.500 5.510 5.490 5.537 0.037 20 0 "[ . 1 . 2]" 2
48 1 13 TYR H 1 22 PHE QD . . 5.500 5.416 5.346 5.502 0.002 4 0 "[ . 1 . 2]" 2
49 1 13 TYR H 1 13 TYR QD . . 3.320 3.007 2.932 3.108 . 0 0 "[ . 1 . 2]" 2
50 1 13 TYR H 1 14 LYS HA . . 4.980 4.767 4.705 4.815 . 0 0 "[ . 1 . 2]" 2
51 1 12 PRO HA 1 13 TYR H . . 3.390 3.375 3.297 3.407 0.017 1 0 "[ . 1 . 2]" 2
52 1 12 PRO HD2 1 13 TYR H . . 3.860 2.863 2.799 3.032 . 0 0 "[ . 1 . 2]" 2
53 1 13 TYR H 1 22 PHE HB2 . . 4.780 4.302 4.165 4.419 . 0 0 "[ . 1 . 2]" 2
54 1 13 TYR H 1 13 TYR HB2 . . 3.160 2.840 2.792 2.894 . 0 0 "[ . 1 . 2]" 2
55 1 12 PRO HB3 1 13 TYR H . . 4.550 4.421 4.380 4.505 . 0 0 "[ . 1 . 2]" 2
56 1 12 PRO HG3 1 13 TYR H . . 4.610 4.415 4.323 4.621 0.011 17 0 "[ . 1 . 2]" 2
57 1 12 PRO HG2 1 13 TYR H . . 3.970 3.081 2.961 3.352 . 0 0 "[ . 1 . 2]" 2
58 1 11 LYS HB2 1 13 TYR H . . 4.260 3.321 2.905 4.109 . 0 0 "[ . 1 . 2]" 2
59 1 11 LYS HB3 1 13 TYR H . . 4.260 2.605 2.391 2.749 . 0 0 "[ . 1 . 2]" 2
60 1 15 CYS H 1 16 ASP H . . 4.860 4.645 4.636 4.648 . 0 0 "[ . 1 . 2]" 2
61 1 15 CYS HA 1 16 ASP H . . 3.210 2.308 2.259 2.358 . 0 0 "[ . 1 . 2]" 2
62 1 15 CYS HB2 1 16 ASP H . . 4.630 4.129 4.060 4.207 . 0 0 "[ . 1 . 2]" 2
63 1 16 ASP H 1 16 ASP QB . . 3.410 2.434 2.319 2.604 . 0 0 "[ . 1 . 2]" 2
64 1 16 ASP H 1 28 LEU MD1 . . 4.180 3.808 3.694 3.876 . 0 0 "[ . 1 . 2]" 2
65 1 16 ASP H 1 17 VAL MG1 . . 4.600 2.667 2.618 2.730 . 0 0 "[ . 1 . 2]" 2
66 1 15 CYS H 1 22 PHE H . . 5.180 5.045 4.899 5.127 . 0 0 "[ . 1 . 2]" 2
67 1 13 TYR H 1 22 PHE H . . 3.700 3.216 3.141 3.329 . 0 0 "[ . 1 . 2]" 2
68 1 22 PHE H 1 22 PHE QD . . 3.440 3.387 3.298 3.454 0.014 14 0 "[ . 1 . 2]" 2
69 1 13 TYR QD 1 22 PHE H . . 4.870 4.734 4.655 4.818 . 0 0 "[ . 1 . 2]" 2
70 1 22 PHE H 1 22 PHE QE . . 5.490 5.291 5.240 5.339 . 0 0 "[ . 1 . 2]" 2
71 1 21 SER HA 1 22 PHE H . . 3.100 2.295 2.256 2.332 . 0 0 "[ . 1 . 2]" 2
72 1 14 LYS HA 1 22 PHE H . . 3.860 3.205 2.993 3.300 . 0 0 "[ . 1 . 2]" 2
73 1 11 LYS HA 1 22 PHE H . . 5.110 4.568 4.298 4.693 . 0 0 "[ . 1 . 2]" 2
74 1 13 TYR HA 1 22 PHE H . . 5.500 4.791 4.714 4.865 . 0 0 "[ . 1 . 2]" 2
75 1 21 SER QB 1 22 PHE H . . 3.320 2.693 2.578 2.808 . 0 0 "[ . 1 . 2]" 2
76 1 22 PHE H 1 22 PHE HB2 . . 3.930 2.881 2.827 2.930 . 0 0 "[ . 1 . 2]" 2
77 1 13 TYR HB2 1 22 PHE H . . 3.800 3.573 3.447 3.637 . 0 0 "[ . 1 . 2]" 2
78 1 22 PHE H 1 22 PHE HB3 . . 3.970 3.911 3.883 3.937 . 0 0 "[ . 1 . 2]" 2
79 1 11 LYS HB2 1 22 PHE H . . 4.120 2.318 1.890 3.281 . 0 0 "[ . 1 . 2]" 2
80 1 11 LYS HB3 1 22 PHE H . . 4.120 2.302 1.885 2.643 . 0 0 "[ . 1 . 2]" 2
81 1 11 LYS HG2 1 22 PHE H . . 4.930 3.307 2.446 3.858 . 0 0 "[ . 1 . 2]" 2
82 1 14 LYS QG 1 22 PHE H . . 5.150 4.881 4.717 5.155 0.005 3 0 "[ . 1 . 2]" 2
83 1 22 PHE H 1 28 LEU HB2 . . 5.450 4.694 4.528 4.780 . 0 0 "[ . 1 . 2]" 2
84 1 11 LYS HG3 1 22 PHE H . . 4.930 3.182 2.733 4.217 . 0 0 "[ . 1 . 2]" 2
85 1 30 VAL HA 1 33 ARG H . . 4.210 4.085 4.049 4.132 . 0 0 "[ . 1 . 2]" 2
86 1 33 ARG H 1 33 ARG QD . . 4.250 4.086 3.770 4.273 0.023 9 0 "[ . 1 . 2]" 2
87 1 32 GLN HB2 1 33 ARG H . . 4.050 3.242 3.187 3.273 . 0 0 "[ . 1 . 2]" 2
88 1 33 ARG H 1 33 ARG HG2 . . 3.160 3.091 2.914 3.162 0.002 16 0 "[ . 1 . 2]" 2
89 1 33 ARG H 1 33 ARG HB2 . . 3.230 2.520 2.412 2.604 . 0 0 "[ . 1 . 2]" 2
90 1 31 HIS HD2 1 33 ARG H . . 4.890 4.831 4.795 4.884 . 0 0 "[ . 1 . 2]" 2
91 1 32 GLN HG3 1 33 ARG H . . 4.490 4.403 4.330 4.458 . 0 0 "[ . 1 . 2]" 2
92 1 33 ARG H 1 33 ARG HG3 . . 3.330 2.319 2.045 2.570 . 0 0 "[ . 1 . 2]" 2
93 1 35 HIS H 1 35 HIS HE1 . . 5.500 5.489 5.422 5.519 0.019 15 0 "[ . 1 . 2]" 2
94 1 34 ILE HG13 1 35 HIS H . . 4.300 4.080 3.869 4.178 . 0 0 "[ . 1 . 2]" 2
95 1 24 TYR QD 1 27 SER H . . 4.810 4.697 3.956 4.830 0.020 19 0 "[ . 1 . 2]" 2
96 1 35 HIS H 1 35 HIS HD2 . . 3.880 3.689 3.441 3.780 . 0 0 "[ . 1 . 2]" 2
97 1 24 TYR HA 1 27 SER H . . 4.940 4.792 4.426 4.950 0.010 11 0 "[ . 1 . 2]" 2
98 1 35 HIS H 1 36 THR HB . . 5.500 4.890 4.722 5.049 . 0 0 "[ . 1 . 2]" 2
99 1 27 SER H 1 27 SER HB2 . . 3.650 2.578 2.498 2.624 . 0 0 "[ . 1 . 2]" 2
100 1 26 SER QB 1 27 SER H . . 4.330 2.596 2.398 3.384 . 0 0 "[ . 1 . 2]" 2
101 1 35 HIS H 1 35 HIS HB2 . . 3.150 2.409 2.393 2.448 . 0 0 "[ . 1 . 2]" 2
102 1 24 TYR HB3 1 27 SER H . . 3.880 3.177 2.962 3.574 . 0 0 "[ . 1 . 2]" 2
103 1 24 TYR HB2 1 27 SER H . . 3.740 2.866 2.261 3.048 . 0 0 "[ . 1 . 2]" 2
104 1 27 SER H 1 28 LEU HB2 . . 5.500 5.370 5.302 5.468 . 0 0 "[ . 1 . 2]" 2
105 1 27 SER H 1 30 VAL MG2 . . 4.580 4.254 4.163 4.328 . 0 0 "[ . 1 . 2]" 2
106 1 34 ILE MD 1 35 HIS H . . 3.710 1.844 1.824 1.865 . 0 0 "[ . 1 . 2]" 2
107 1 33 ARG H 1 34 ILE MG . . 4.180 3.856 3.761 3.902 . 0 0 "[ . 1 . 2]" 2
108 1 34 ILE MG 1 35 HIS H . . 4.400 3.631 3.594 3.660 . 0 0 "[ . 1 . 2]" 2
109 1 17 VAL MG2 1 35 HIS H . . 5.500 5.506 5.435 5.526 0.026 17 0 "[ . 1 . 2]" 2
110 1 27 SER H 1 29 THR H . . 4.910 4.751 4.655 4.848 . 0 0 "[ . 1 . 2]" 2
111 1 24 TYR H 1 27 SER H . . 4.570 4.478 4.369 4.583 0.013 6 0 "[ . 1 . 2]" 2
112 1 27 SER H 1 27 SER HB3 . . 3.930 3.592 3.588 3.594 . 0 0 "[ . 1 . 2]" 2
113 1 27 SER H 1 28 LEU HB3 . . 5.100 4.800 4.708 4.874 . 0 0 "[ . 1 . 2]" 2
114 1 17 VAL H 1 19 HIS H . . 3.900 2.682 2.602 2.916 . 0 0 "[ . 1 . 2]" 2
115 1 18 CYS H 1 19 HIS H . . 3.050 1.916 1.866 1.949 . 0 0 "[ . 1 . 2]" 2
116 1 19 HIS H 1 19 HIS HD2 . . 4.220 2.547 2.121 2.978 . 0 0 "[ . 1 . 2]" 2
117 1 19 HIS H 1 19 HIS HA . . 2.880 2.280 2.275 2.287 . 0 0 "[ . 1 . 2]" 2
118 1 17 VAL HA 1 19 HIS H . . 4.740 4.484 4.405 4.599 . 0 0 "[ . 1 . 2]" 2
119 1 19 HIS H 1 19 HIS HB3 . . 4.200 4.073 4.043 4.109 . 0 0 "[ . 1 . 2]" 2
120 1 15 CYS HB3 1 19 HIS H . . 3.770 2.189 2.008 2.323 . 0 0 "[ . 1 . 2]" 2
121 1 14 LYS QD 1 19 HIS H . . 5.350 5.143 4.971 5.356 0.006 3 0 "[ . 1 . 2]" 2
122 1 19 HIS H 1 20 LYS HB2 . . 4.780 4.450 4.352 4.541 . 0 0 "[ . 1 . 2]" 2
123 1 17 VAL MG2 1 19 HIS H . . 4.600 4.594 4.545 4.627 0.027 6 0 "[ . 1 . 2]" 2
124 1 29 THR H 1 32 GLN H . . 4.870 4.633 4.602 4.666 . 0 0 "[ . 1 . 2]" 2
125 1 29 THR H 1 31 HIS H . . 4.470 3.973 3.945 3.993 . 0 0 "[ . 1 . 2]" 2
126 1 29 THR H 1 30 VAL H . . 3.460 2.977 2.956 2.990 . 0 0 "[ . 1 . 2]" 2
127 1 22 PHE QD 1 29 THR H . . 5.500 5.521 5.508 5.546 0.046 4 0 "[ . 1 . 2]" 2
128 1 28 LEU H 1 29 THR H . . 3.280 3.074 3.028 3.155 . 0 0 "[ . 1 . 2]" 2
129 1 29 THR H 1 29 THR HB . . 2.980 2.588 2.561 2.607 . 0 0 "[ . 1 . 2]" 2
130 1 29 THR H 1 30 VAL HA . . 5.500 5.505 5.490 5.516 0.016 17 0 "[ . 1 . 2]" 2
131 1 29 THR H 1 32 GLN HG3 . . 4.070 4.009 3.968 4.053 . 0 0 "[ . 1 . 2]" 2
132 1 28 LEU HB3 1 29 THR H . . 3.490 2.218 2.161 2.283 . 0 0 "[ . 1 . 2]" 2
133 1 28 LEU HG 1 29 THR H . . 3.980 2.846 2.728 2.941 . 0 0 "[ . 1 . 2]" 2
134 1 28 LEU HB2 1 29 THR H . . 4.110 3.700 3.663 3.743 . 0 0 "[ . 1 . 2]" 2
135 1 28 LEU MD2 1 29 THR H . . 3.930 3.649 3.533 3.703 . 0 0 "[ . 1 . 2]" 2
136 1 32 GLN H 1 34 ILE H . . 4.860 4.707 4.602 4.764 . 0 0 "[ . 1 . 2]" 2
137 1 33 ARG H 1 34 ILE H . . 3.250 2.830 2.800 2.857 . 0 0 "[ . 1 . 2]" 2
138 1 34 ILE H 1 35 HIS H . . 3.390 2.522 2.405 2.561 . 0 0 "[ . 1 . 2]" 2
139 1 34 ILE H 1 35 HIS HD2 . . 5.500 5.096 4.794 5.192 . 0 0 "[ . 1 . 2]" 2
140 1 33 ARG QD 1 34 ILE H . . 5.340 5.118 4.774 5.340 0.000 14 0 "[ . 1 . 2]" 2
141 1 33 ARG HB3 1 34 ILE H . . 3.810 3.704 3.586 3.828 0.018 19 0 "[ . 1 . 2]" 2
142 1 33 ARG HB2 1 34 ILE H . . 3.980 2.760 2.667 2.946 . 0 0 "[ . 1 . 2]" 2
143 1 34 ILE H 1 34 ILE HB . . 3.650 3.589 3.576 3.619 . 0 0 "[ . 1 . 2]" 2
144 1 34 ILE H 1 34 ILE HG13 . . 4.020 3.968 3.958 3.973 . 0 0 "[ . 1 . 2]" 2
145 1 34 ILE H 1 34 ILE MD . . 3.310 1.850 1.827 1.860 . 0 0 "[ . 1 . 2]" 2
146 1 34 ILE H 1 35 HIS HB2 . . 4.820 4.701 4.578 4.740 . 0 0 "[ . 1 . 2]" 2
147 1 16 ASP H 1 18 CYS H . . 4.640 3.995 3.858 4.142 . 0 0 "[ . 1 . 2]" 2
148 1 15 CYS H 1 21 SER H . . 4.750 4.497 4.426 4.552 . 0 0 "[ . 1 . 2]" 2
149 1 17 VAL H 1 18 CYS H . . 3.180 1.916 1.869 2.051 . 0 0 "[ . 1 . 2]" 2
150 1 18 CYS H 1 19 HIS HA . . 4.260 4.158 4.093 4.190 . 0 0 "[ . 1 . 2]" 2
151 1 15 CYS HB2 1 18 CYS H . . 4.160 3.983 3.951 4.035 . 0 0 "[ . 1 . 2]" 2
152 1 17 VAL MG2 1 18 CYS H . . 3.520 3.066 3.018 3.143 . 0 0 "[ . 1 . 2]" 2
153 1 21 SER H 1 22 PHE H . . 4.790 4.632 4.626 4.636 . 0 0 "[ . 1 . 2]" 2
154 1 21 SER H 1 22 PHE QE . . 4.850 4.817 4.778 4.860 0.010 15 0 "[ . 1 . 2]" 2
155 1 20 LYS HA 1 21 SER H . . 2.790 2.156 2.149 2.168 . 0 0 "[ . 1 . 2]" 2
156 1 21 SER H 1 21 SER QB . . 3.330 2.590 2.274 2.827 . 0 0 "[ . 1 . 2]" 2
157 1 20 LYS HD2 1 21 SER H . . 3.570 3.514 3.459 3.574 0.004 8 0 "[ . 1 . 2]" 2
158 1 20 LYS HB3 1 21 SER H . . 3.950 3.768 3.712 3.833 . 0 0 "[ . 1 . 2]" 2
159 1 31 HIS H 1 32 GLN H . . 3.410 2.350 2.273 2.407 . 0 0 "[ . 1 . 2]" 2
160 1 32 GLN H 1 33 ARG H . . 3.430 2.752 2.734 2.778 . 0 0 "[ . 1 . 2]" 2
161 1 31 HIS HD2 1 32 GLN H . . 3.870 2.698 2.561 2.798 . 0 0 "[ . 1 . 2]" 2
162 1 28 LEU HA 1 32 GLN H . . 4.310 4.186 4.091 4.265 . 0 0 "[ . 1 . 2]" 2
163 1 32 GLN H 1 32 GLN HG3 . . 3.140 2.055 1.996 2.107 . 0 0 "[ . 1 . 2]" 2
164 1 32 GLN H 1 32 GLN HB2 . . 3.290 2.655 2.617 2.704 . 0 0 "[ . 1 . 2]" 2
165 1 28 LEU HG 1 32 GLN H . . 4.700 4.309 4.233 4.369 . 0 0 "[ . 1 . 2]" 2
166 1 28 LEU MD1 1 32 GLN H . . 3.810 3.723 3.584 3.805 . 0 0 "[ . 1 . 2]" 2
167 1 15 CYS H 1 20 LYS H . . 3.960 2.640 2.520 2.861 . 0 0 "[ . 1 . 2]" 2
168 1 15 CYS H 1 19 HIS H . . 4.690 4.620 4.497 4.709 0.019 15 0 "[ . 1 . 2]" 2
169 1 15 CYS H 1 22 PHE QD . . 4.460 2.911 2.865 2.960 . 0 0 "[ . 1 . 2]" 2
170 1 32 GLN H 1 32 GLN HE21 . . 5.120 4.993 4.927 5.065 . 0 0 "[ . 1 . 2]" 2
171 1 15 CYS H 1 22 PHE QE . . 3.970 2.854 2.769 2.940 . 0 0 "[ . 1 . 2]" 2
172 1 32 GLN H 1 35 HIS HD2 . . 4.520 4.466 4.393 4.528 0.008 4 0 "[ . 1 . 2]" 2
173 1 15 CYS H 1 21 SER HA . . 3.740 3.659 3.550 3.745 0.005 8 0 "[ . 1 . 2]" 2
174 1 14 LYS HA 1 15 CYS H . . 3.150 2.165 2.156 2.192 . 0 0 "[ . 1 . 2]" 2
175 1 15 CYS H 1 20 LYS HA . . 5.080 4.288 4.197 4.367 . 0 0 "[ . 1 . 2]" 2
176 1 29 THR HA 1 32 GLN H . . 4.030 3.203 3.127 3.272 . 0 0 "[ . 1 . 2]" 2
177 1 15 CYS H 1 21 SER QB . . 5.390 5.243 5.169 5.412 0.022 4 0 "[ . 1 . 2]" 2
178 1 30 VAL HA 1 32 GLN H . . 5.080 4.773 4.697 4.870 . 0 0 "[ . 1 . 2]" 2
179 1 15 CYS H 1 15 CYS HB2 . . 3.360 2.144 2.136 2.155 . 0 0 "[ . 1 . 2]" 2
180 1 31 HIS HB3 1 32 GLN H . . 3.570 2.774 2.716 2.834 . 0 0 "[ . 1 . 2]" 2
181 1 15 CYS H 1 15 CYS HB3 . . 3.360 3.030 3.008 3.053 . 0 0 "[ . 1 . 2]" 2
182 1 32 GLN H 1 33 ARG HG3 . . 4.910 4.332 4.041 4.595 . 0 0 "[ . 1 . 2]" 2
183 1 14 LYS QG 1 15 CYS H . . 3.700 2.598 2.512 2.714 . 0 0 "[ . 1 . 2]" 2
184 1 15 CYS H 1 28 LEU MD1 . . 3.880 2.362 2.247 2.500 . 0 0 "[ . 1 . 2]" 2
185 1 24 TYR QD 1 25 GLY H . . 4.390 4.157 3.953 4.437 0.047 4 0 "[ . 1 . 2]" 2
186 1 13 TYR QD 1 25 GLY H . . 4.520 3.315 3.074 3.472 . 0 0 "[ . 1 . 2]" 2
187 1 13 TYR QE 1 25 GLY H . . 4.200 2.883 2.769 2.984 . 0 0 "[ . 1 . 2]" 2
188 1 24 TYR HA 1 25 GLY H . . 3.540 2.255 2.143 2.312 . 0 0 "[ . 1 . 2]" 2
189 1 12 PRO HA 1 14 LYS H . . 5.500 5.377 5.164 5.506 0.006 15 0 "[ . 1 . 2]" 2
190 1 14 LYS H 1 15 CYS H . . 4.420 4.356 4.310 4.441 0.021 4 0 "[ . 1 . 2]" 2
191 1 14 LYS H 1 22 PHE H . . 4.850 4.619 4.402 4.740 . 0 0 "[ . 1 . 2]" 2
192 1 13 TYR H 1 14 LYS H . . 4.060 3.918 3.795 3.977 . 0 0 "[ . 1 . 2]" 2
193 1 13 TYR QD 1 14 LYS H . . 4.720 4.666 4.621 4.735 0.015 4 0 "[ . 1 . 2]" 2
194 1 14 LYS H 1 21 SER HA . . 4.580 4.367 4.222 4.404 . 0 0 "[ . 1 . 2]" 2
195 1 13 TYR HA 1 14 LYS H . . 2.810 2.178 2.159 2.223 . 0 0 "[ . 1 . 2]" 2
196 1 32 GLN HA 1 32 GLN HE21 . . 5.070 4.026 3.902 4.098 . 0 0 "[ . 1 . 2]" 2
197 1 14 LYS H 1 21 SER QB . . 5.500 5.495 5.403 5.555 0.055 17 0 "[ . 1 . 2]" 2
198 1 13 TYR HB3 1 14 LYS H . . 3.980 3.835 3.755 3.977 . 0 0 "[ . 1 . 2]" 2
199 1 14 LYS H 1 14 LYS HB2 . . 3.380 3.256 3.191 3.415 0.035 3 0 "[ . 1 . 2]" 2
200 1 28 LEU HG 1 32 GLN HE21 . . 4.760 4.517 4.389 4.763 0.003 8 0 "[ . 1 . 2]" 2
201 1 14 LYS H 1 14 LYS QG . . 3.990 3.949 3.747 3.986 . 0 0 "[ . 1 . 2]" 2
202 1 14 LYS H 1 28 LEU MD2 . . 3.640 3.166 2.938 3.475 . 0 0 "[ . 1 . 2]" 2
203 1 16 ASP H 1 32 GLN HE22 . . 4.780 3.284 3.110 3.588 . 0 0 "[ . 1 . 2]" 2
204 1 16 ASP H 1 32 GLN HE21 . . 5.060 2.940 2.692 3.171 . 0 0 "[ . 1 . 2]" 2
205 1 22 PHE H 1 24 TYR H . . 5.070 5.047 4.907 5.091 0.021 4 0 "[ . 1 . 2]" 2
206 1 24 TYR H 1 25 GLY H . . 5.020 4.482 4.367 4.512 . 0 0 "[ . 1 . 2]" 2
207 1 13 TYR QD 1 24 TYR H . . 3.960 3.676 3.481 3.895 . 0 0 "[ . 1 . 2]" 2
208 1 24 TYR H 1 24 TYR QE . . 4.920 4.693 4.220 4.924 0.004 8 0 "[ . 1 . 2]" 2
209 1 15 CYS HA 1 32 GLN HE21 . . 4.590 3.285 2.876 3.640 . 0 0 "[ . 1 . 2]" 2
210 1 15 CYS HA 1 32 GLN HE22 . . 4.350 3.729 3.466 3.962 . 0 0 "[ . 1 . 2]" 2
211 1 24 TYR H 1 27 SER HB2 . . 4.150 3.279 3.173 3.369 . 0 0 "[ . 1 . 2]" 2
212 1 29 THR HA 1 32 GLN HE22 . . 5.320 5.239 5.126 5.324 0.004 13 0 "[ . 1 . 2]" 2
213 1 32 GLN HA 1 32 GLN HE22 . . 5.500 5.452 5.396 5.492 . 0 0 "[ . 1 . 2]" 2
214 1 22 PHE HB2 1 24 TYR H . . 4.240 4.019 3.905 4.098 . 0 0 "[ . 1 . 2]" 2
215 1 32 GLN HE22 1 32 GLN HG2 . . 3.560 3.477 3.456 3.527 . 0 0 "[ . 1 . 2]" 2
216 1 24 TYR H 1 24 TYR HB2 . . 3.560 2.566 2.476 2.878 . 0 0 "[ . 1 . 2]" 2
217 1 32 GLN HB2 1 32 GLN HE22 . . 4.740 4.561 4.417 4.636 . 0 0 "[ . 1 . 2]" 2
218 1 23 ARG HB2 1 24 TYR H . . 4.250 3.957 2.784 4.163 . 0 0 "[ . 1 . 2]" 2
219 1 28 LEU HG 1 32 GLN HE22 . . 4.510 4.357 4.245 4.489 . 0 0 "[ . 1 . 2]" 2
220 1 23 ARG HB3 1 24 TYR H . . 4.250 2.943 2.769 3.922 . 0 0 "[ . 1 . 2]" 2
221 1 28 LEU MD1 1 32 GLN HE22 . . 3.810 3.726 3.583 3.814 0.004 15 0 "[ . 1 . 2]" 2
222 1 17 VAL MG1 1 32 GLN HE21 . . 5.090 2.766 2.692 2.859 . 0 0 "[ . 1 . 2]" 2
223 1 17 VAL MG1 1 32 GLN HE22 . . 4.870 3.855 3.733 3.993 . 0 0 "[ . 1 . 2]" 2
224 1 24 TYR H 1 24 TYR QD . . 3.710 2.470 2.162 2.829 . 0 0 "[ . 1 . 2]" 2
225 1 24 TYR H 1 24 TYR HB3 . . 3.770 3.718 3.678 3.787 0.017 15 0 "[ . 1 . 2]" 2
226 1 22 PHE HB3 1 24 TYR H . . 4.000 2.905 2.805 2.971 . 0 0 "[ . 1 . 2]" 2
227 1 33 ARG HB3 1 36 THR H . . 5.310 5.093 5.002 5.253 . 0 0 "[ . 1 . 2]" 2
228 1 34 ILE HB 1 36 THR H . . 5.500 5.465 5.061 5.527 0.027 1 0 "[ . 1 . 2]" 2
229 1 34 ILE HG12 1 36 THR H . . 5.500 4.629 4.437 4.736 . 0 0 "[ . 1 . 2]" 2
230 1 34 ILE MD 1 36 THR H . . 5.500 3.968 3.938 4.089 . 0 0 "[ . 1 . 2]" 2
231 1 34 ILE MG 1 36 THR H . . 5.290 5.001 4.917 5.032 . 0 0 "[ . 1 . 2]" 2
232 1 35 HIS H 1 36 THR H . . 3.560 2.408 2.361 2.614 . 0 0 "[ . 1 . 2]" 2
233 1 36 THR H 1 36 THR HB . . 3.960 3.040 2.925 3.256 . 0 0 "[ . 1 . 2]" 2
234 1 33 ARG HA 1 36 THR H . . 4.500 3.461 3.378 3.950 . 0 0 "[ . 1 . 2]" 2
235 1 34 ILE HA 1 36 THR H . . 4.610 3.846 3.383 3.930 . 0 0 "[ . 1 . 2]" 2
236 1 35 HIS HB2 1 36 THR H . . 4.060 3.207 3.119 3.736 . 0 0 "[ . 1 . 2]" 2
237 1 36 THR H 1 36 THR MG . . 3.810 2.054 1.887 2.455 . 0 0 "[ . 1 . 2]" 2
238 1 38 GLU H 1 39 LYS H . . 4.700 4.228 2.732 4.648 . 0 0 "[ . 1 . 2]" 2
239 1 38 GLU HA 1 39 LYS H . . 3.250 2.294 2.138 2.764 . 0 0 "[ . 1 . 2]" 2
240 1 39 LYS H 1 39 LYS QG . . 4.390 3.162 2.011 4.148 . 0 0 "[ . 1 . 2]" 2
241 1 25 GLY H 1 28 LEU H . . 5.270 5.129 5.024 5.242 . 0 0 "[ . 1 . 2]" 2
242 1 28 LEU H 1 30 VAL H . . 4.480 4.470 4.424 4.492 0.012 12 0 "[ . 1 . 2]" 2
243 1 22 PHE QD 1 28 LEU H . . 4.330 3.749 3.652 3.813 . 0 0 "[ . 1 . 2]" 2
244 1 27 SER HB2 1 28 LEU H . . 3.570 2.428 2.296 2.496 . 0 0 "[ . 1 . 2]" 2
245 1 27 SER HB3 1 28 LEU H . . 3.910 3.537 3.399 3.673 . 0 0 "[ . 1 . 2]" 2
246 1 25 GLY HA2 1 28 LEU H . . 3.860 3.592 3.445 3.792 . 0 0 "[ . 1 . 2]" 2
247 1 28 LEU H 1 28 LEU HB3 . . 3.400 2.397 2.360 2.452 . 0 0 "[ . 1 . 2]" 2
248 1 28 LEU H 1 28 LEU HG . . 4.470 4.412 4.382 4.453 . 0 0 "[ . 1 . 2]" 2
249 1 28 LEU H 1 28 LEU HB2 . . 3.440 2.626 2.575 2.663 . 0 0 "[ . 1 . 2]" 2
250 1 28 LEU H 1 28 LEU MD2 . . 4.260 4.215 4.190 4.239 . 0 0 "[ . 1 . 2]" 2
251 1 12 PRO HD3 1 13 TYR H . . 4.170 3.957 3.924 4.044 . 0 0 "[ . 1 . 2]" 2
252 1 14 LYS H 1 14 LYS HB3 . . 3.380 2.560 2.458 2.611 . 0 0 "[ . 1 . 2]" 2
253 1 14 LYS HB2 1 15 CYS H . . 4.330 4.072 3.852 4.118 . 0 0 "[ . 1 . 2]" 2
254 1 18 CYS H 1 18 CYS HB3 . . 3.720 2.906 2.833 2.967 . 0 0 "[ . 1 . 2]" 2
255 1 22 PHE HB2 1 28 LEU H . . 4.270 3.214 3.028 3.276 . 0 0 "[ . 1 . 2]" 2
256 1 30 VAL MG1 1 31 HIS H . . 3.820 3.745 3.686 3.796 . 0 0 "[ . 1 . 2]" 2
257 1 14 LYS H 1 28 LEU MD1 . . 4.540 4.047 3.940 4.148 . 0 0 "[ . 1 . 2]" 2
258 1 20 LYS H 1 28 LEU MD1 . . 4.470 4.180 4.110 4.352 . 0 0 "[ . 1 . 2]" 2
259 1 28 LEU MD1 1 32 GLN HE21 . . 3.710 3.258 3.029 3.538 . 0 0 "[ . 1 . 2]" 2
260 1 22 PHE QE 1 28 LEU MD1 . . 3.170 2.257 2.162 2.478 . 0 0 "[ . 1 . 2]" 2
261 1 15 CYS HA 1 28 LEU MD1 . . 3.290 1.960 1.882 2.048 . 0 0 "[ . 1 . 2]" 2
262 1 28 LEU HA 1 28 LEU MD1 . . 3.080 2.082 2.020 2.204 . 0 0 "[ . 1 . 2]" 2
263 1 28 LEU MD1 1 31 HIS HB3 . . 3.840 3.559 3.455 3.651 . 0 0 "[ . 1 . 2]" 2
264 1 28 LEU MD1 1 32 GLN HG3 . . 2.980 2.493 2.305 2.595 . 0 0 "[ . 1 . 2]" 2
265 1 22 PHE HB3 1 28 LEU MD1 . . 4.630 4.581 4.448 4.647 0.017 17 0 "[ . 1 . 2]" 2
266 1 28 LEU MD1 1 32 GLN HB3 . . 4.630 4.535 4.391 4.620 . 0 0 "[ . 1 . 2]" 2
267 1 28 LEU HB3 1 28 LEU MD1 . . 3.670 3.181 3.179 3.187 . 0 0 "[ . 1 . 2]" 2
268 1 17 VAL MG1 1 28 LEU MD1 . . 4.720 4.383 4.288 4.503 . 0 0 "[ . 1 . 2]" 2
269 1 28 LEU HB2 1 28 LEU MD1 . . 3.420 2.347 2.298 2.426 . 0 0 "[ . 1 . 2]" 2
270 1 29 THR H 1 30 VAL MG2 . . 4.540 4.492 4.464 4.541 0.001 10 0 "[ . 1 . 2]" 2
271 1 30 VAL HA 1 30 VAL MG2 . . 2.900 2.287 2.251 2.346 . 0 0 "[ . 1 . 2]" 2
272 1 29 THR HB 1 30 VAL MG2 . . 3.510 3.272 3.173 3.351 . 0 0 "[ . 1 . 2]" 2
273 1 29 THR HA 1 30 VAL MG2 . . 5.500 5.047 5.003 5.090 . 0 0 "[ . 1 . 2]" 2
274 1 30 VAL MG2 1 33 ARG QD . . 4.290 4.148 3.967 4.300 0.010 3 0 "[ . 1 . 2]" 2
275 1 29 THR MG 1 32 GLN H . . 4.620 4.446 4.345 4.534 . 0 0 "[ . 1 . 2]" 2
276 1 29 THR H 1 29 THR MG . . 3.950 3.769 3.768 3.770 . 0 0 "[ . 1 . 2]" 2
277 1 29 THR HA 1 29 THR MG . . 3.020 2.475 2.468 2.488 . 0 0 "[ . 1 . 2]" 2
278 1 29 THR MG 1 33 ARG QD . . 4.870 4.657 4.278 4.879 0.009 19 0 "[ . 1 . 2]" 2
279 1 29 THR MG 1 32 GLN HG3 . . 4.590 4.375 4.266 4.446 . 0 0 "[ . 1 . 2]" 2
280 1 29 THR MG 1 33 ARG HG2 . . 4.330 3.914 3.697 4.106 . 0 0 "[ . 1 . 2]" 2
281 1 13 TYR QD 1 25 GLY HA3 . . 4.150 3.399 3.279 3.576 . 0 0 "[ . 1 . 2]" 2
282 1 13 TYR QD 1 25 GLY HA2 . . 4.140 2.828 2.769 2.920 . 0 0 "[ . 1 . 2]" 2
283 1 13 TYR QE 1 25 GLY HA3 . . 4.510 3.328 3.212 3.499 . 0 0 "[ . 1 . 2]" 2
284 1 13 TYR QE 1 25 GLY HA2 . . 4.510 3.738 3.622 3.836 . 0 0 "[ . 1 . 2]" 2
285 1 25 GLY HA3 1 28 LEU HB3 . . 4.650 4.419 4.209 4.692 0.042 4 0 "[ . 1 . 2]" 2
286 1 25 GLY HA2 1 28 LEU HB3 . . 4.120 3.076 2.867 3.332 . 0 0 "[ . 1 . 2]" 2
287 1 25 GLY HA3 1 28 LEU MD2 . . 4.940 4.738 4.507 4.941 0.001 4 0 "[ . 1 . 2]" 2
288 1 33 ARG H 1 36 THR MG . . 4.850 4.046 3.901 4.265 . 0 0 "[ . 1 . 2]" 2
289 1 35 HIS H 1 36 THR MG . . 5.030 3.645 3.479 3.810 . 0 0 "[ . 1 . 2]" 2
290 1 33 ARG HA 1 36 THR MG . . 3.990 2.012 1.927 2.158 . 0 0 "[ . 1 . 2]" 2
291 1 35 HIS HB2 1 36 THR MG . . 4.310 4.079 3.825 4.214 . 0 0 "[ . 1 . 2]" 2
292 1 8 THR HA 1 8 THR MG . . 3.580 2.620 2.203 3.206 . 0 0 "[ . 1 . 2]" 2
293 1 34 ILE HA 1 36 THR MG . . 4.690 4.472 4.292 4.602 . 0 0 "[ . 1 . 2]" 2
294 1 17 VAL H 1 17 VAL MG1 . . 2.990 1.996 1.866 2.078 . 0 0 "[ . 1 . 2]" 2
295 1 17 VAL MG1 1 18 CYS H . . 3.500 2.156 2.082 2.294 . 0 0 "[ . 1 . 2]" 2
296 1 17 VAL MG1 1 19 HIS H . . 4.380 3.723 3.661 3.829 . 0 0 "[ . 1 . 2]" 2
297 1 17 VAL MG1 1 35 HIS HD2 . . 3.540 2.333 2.284 2.409 . 0 0 "[ . 1 . 2]" 2
298 1 15 CYS HA 1 17 VAL MG1 . . 4.180 3.957 3.878 4.036 . 0 0 "[ . 1 . 2]" 2
299 1 27 SER HB3 1 30 VAL MG1 . . 5.500 5.470 5.399 5.509 0.009 18 0 "[ . 1 . 2]" 2
300 1 17 VAL HA 1 17 VAL MG1 . . 3.170 3.145 3.136 3.150 . 0 0 "[ . 1 . 2]" 2
301 1 17 VAL MG1 1 35 HIS HB3 . . 3.660 2.688 2.564 2.792 . 0 0 "[ . 1 . 2]" 2
302 1 30 VAL MG1 1 31 HIS HB2 . . 4.580 4.554 4.509 4.594 0.014 6 0 "[ . 1 . 2]" 2
303 1 17 VAL MG1 1 32 GLN HG2 . . 4.260 3.731 3.672 3.797 . 0 0 "[ . 1 . 2]" 2
304 1 30 VAL H 1 30 VAL MG1 . . 3.800 3.766 3.765 3.767 . 0 0 "[ . 1 . 2]" 2
305 1 30 VAL MG1 1 33 ARG H . . 4.970 4.840 4.786 4.898 . 0 0 "[ . 1 . 2]" 2
306 1 30 VAL MG1 1 31 HIS HA . . 3.630 3.585 3.511 3.634 0.004 2 0 "[ . 1 . 2]" 2
307 1 30 VAL HA 1 30 VAL MG1 . . 3.090 2.399 2.348 2.438 . 0 0 "[ . 1 . 2]" 2
308 1 30 VAL MG1 1 33 ARG QD . . 3.790 3.013 2.419 3.577 . 0 0 "[ . 1 . 2]" 2
309 1 30 VAL MG1 1 33 ARG HB2 . . 4.650 4.422 4.284 4.565 . 0 0 "[ . 1 . 2]" 2
310 1 30 VAL MG1 1 33 ARG HG3 . . 4.590 3.515 3.365 3.680 . 0 0 "[ . 1 . 2]" 2
311 1 17 VAL MG2 1 18 CYS HA . . 4.440 3.368 3.321 3.430 . 0 0 "[ . 1 . 2]" 2
312 1 17 VAL HA 1 17 VAL MG2 . . 2.940 2.590 2.577 2.612 . 0 0 "[ . 1 . 2]" 2
313 1 17 VAL MG2 1 18 CYS HB3 . . 3.700 2.746 2.671 2.806 . 0 0 "[ . 1 . 2]" 2
314 1 17 VAL MG2 1 18 CYS HB2 . . 4.170 4.163 4.105 4.179 0.009 1 0 "[ . 1 . 2]" 2
315 1 18 CYS H 1 19 HIS HD2 . . 4.510 3.812 3.193 4.255 . 0 0 "[ . 1 . 2]" 2
316 1 22 PHE HB3 1 28 LEU H . . 4.380 2.804 2.690 2.876 . 0 0 "[ . 1 . 2]" 2
317 1 19 HIS HA 1 19 HIS HD2 . . 3.900 2.780 2.500 3.229 . 0 0 "[ . 1 . 2]" 2
318 1 22 PHE HB3 1 27 SER HB2 . . 4.380 2.112 1.993 2.263 . 0 0 "[ . 1 . 2]" 2
319 1 22 PHE HB2 1 27 SER HB2 . . 4.220 3.678 3.545 3.873 . 0 0 "[ . 1 . 2]" 2
320 1 13 TYR HB2 1 22 PHE HB3 . . 3.770 3.453 3.321 3.649 . 0 0 "[ . 1 . 2]" 2
321 1 13 TYR HB2 1 22 PHE HB2 . . 4.000 2.326 2.226 2.558 . 0 0 "[ . 1 . 2]" 2
322 1 33 ARG HB3 1 33 ARG QD . . 3.160 2.247 2.102 2.507 . 0 0 "[ . 1 . 2]" 2
323 1 33 ARG HB2 1 33 ARG QD . . 3.320 2.704 2.476 3.028 . 0 0 "[ . 1 . 2]" 2
324 1 14 LYS QG 1 19 HIS HD2 . . 5.160 4.486 3.980 5.082 . 0 0 "[ . 1 . 2]" 2
325 1 22 PHE HB2 1 28 LEU HB2 . . 4.630 2.229 2.129 2.326 . 0 0 "[ . 1 . 2]" 2
326 1 22 PHE HB3 1 28 LEU HB2 . . 4.520 3.338 3.164 3.443 . 0 0 "[ . 1 . 2]" 2
327 1 22 PHE HB3 1 28 LEU MD2 . . 5.100 5.013 4.890 5.115 0.015 4 0 "[ . 1 . 2]" 2
328 1 22 PHE HB2 1 28 LEU MD1 . . 4.700 3.598 3.462 3.691 . 0 0 "[ . 1 . 2]" 2
329 1 22 PHE HB2 1 28 LEU MD2 . . 5.140 3.736 3.620 3.850 . 0 0 "[ . 1 . 2]" 2
330 1 23 ARG HD3 1 24 TYR QE . . 4.310 3.426 1.998 4.335 0.025 19 0 "[ . 1 . 2]" 2
331 1 23 ARG HA 1 23 ARG HD2 . . 4.910 4.000 2.330 4.768 . 0 0 "[ . 1 . 2]" 2
332 1 23 ARG HA 1 23 ARG HD3 . . 4.910 4.070 2.145 4.902 . 0 0 "[ . 1 . 2]" 2
333 1 29 THR HB 1 30 VAL HB . . 5.100 4.813 4.798 4.831 . 0 0 "[ . 1 . 2]" 2
334 1 13 TYR QE 1 24 TYR HA . . 3.990 2.804 2.511 3.516 . 0 0 "[ . 1 . 2]" 2
335 1 13 TYR QE 1 23 ARG HA . . 5.500 5.137 4.824 5.381 . 0 0 "[ . 1 . 2]" 2
336 1 23 ARG HA 1 24 TYR QE . . 5.500 5.320 4.926 5.511 0.011 18 0 "[ . 1 . 2]" 2
337 1 12 PRO HD2 1 13 TYR QE . . 4.530 4.360 4.061 4.494 . 0 0 "[ . 1 . 2]" 2
338 1 17 VAL HA 1 19 HIS HD2 . . 4.820 4.337 3.957 4.762 . 0 0 "[ . 1 . 2]" 2
339 1 12 PRO HB3 1 13 TYR QE . . 4.690 4.580 4.481 4.682 . 0 0 "[ . 1 . 2]" 2
340 1 12 PRO HG3 1 13 TYR QE . . 4.190 3.248 3.214 3.328 . 0 0 "[ . 1 . 2]" 2
341 1 12 PRO HG2 1 13 TYR QE . . 3.780 2.400 2.261 2.463 . 0 0 "[ . 1 . 2]" 2
342 1 23 ARG HD2 1 24 TYR QE . . 4.310 3.167 2.082 4.336 0.026 1 0 "[ . 1 . 2]" 2
343 1 23 ARG HB2 1 24 TYR QE . . 4.580 4.120 2.369 4.469 . 0 0 "[ . 1 . 2]" 2
344 1 12 PRO HB2 1 13 TYR QE . . 4.420 3.458 3.344 3.598 . 0 0 "[ . 1 . 2]" 2
345 1 23 ARG HB3 1 24 TYR QE . . 4.580 3.081 2.128 3.616 . 0 0 "[ . 1 . 2]" 2
346 1 20 LYS HE2 1 20 LYS HG3 . . 3.470 2.327 2.224 2.518 . 0 0 "[ . 1 . 2]" 2
347 1 20 LYS HB3 1 20 LYS HE3 . . 4.420 2.119 2.004 2.267 . 0 0 "[ . 1 . 2]" 2
348 1 20 LYS HB3 1 20 LYS HE2 . . 4.380 3.065 2.842 3.369 . 0 0 "[ . 1 . 2]" 2
349 1 20 LYS HE2 1 20 LYS HG2 . . 3.680 3.587 3.527 3.686 0.006 12 0 "[ . 1 . 2]" 2
350 1 20 LYS HE3 1 20 LYS HG2 . . 3.930 3.821 3.692 3.908 . 0 0 "[ . 1 . 2]" 2
351 1 20 LYS HE2 1 22 PHE QE . . 4.600 3.863 3.626 4.104 . 0 0 "[ . 1 . 2]" 2
352 1 11 LYS QE 1 11 LYS HG2 . . 3.320 2.592 2.141 3.381 0.061 6 0 "[ . 1 . 2]" 2
353 1 11 LYS QE 1 11 LYS HG3 . . 3.320 2.632 2.087 3.379 0.059 13 0 "[ . 1 . 2]" 2
354 1 29 THR HA 1 32 GLN HE21 . . 5.420 5.315 5.227 5.390 . 0 0 "[ . 1 . 2]" 2
355 1 11 LYS HA 1 11 LYS QE . . 4.140 3.414 1.980 4.120 . 0 0 "[ . 1 . 2]" 2
356 1 14 LYS QE 1 19 HIS HA . . 4.370 3.498 1.981 4.256 . 0 0 "[ . 1 . 2]" 2
357 1 29 THR HA 1 32 GLN HB2 . . 3.900 2.812 2.728 2.866 . 0 0 "[ . 1 . 2]" 2
358 1 28 LEU HB3 1 29 THR HA . . 4.640 4.402 4.353 4.443 . 0 0 "[ . 1 . 2]" 2
359 1 28 LEU HG 1 29 THR HA . . 4.200 3.127 3.034 3.186 . 0 0 "[ . 1 . 2]" 2
360 1 14 LYS QE 1 14 LYS QG . . 3.180 2.228 2.076 2.537 . 0 0 "[ . 1 . 2]" 2
361 1 28 LEU MD1 1 29 THR HA . . 4.210 4.114 4.015 4.210 0.000 19 0 "[ . 1 . 2]" 2
362 1 29 THR HB 1 30 VAL HA . . 4.400 4.210 4.200 4.233 . 0 0 "[ . 1 . 2]" 2
363 1 30 VAL HA 1 33 ARG QD . . 3.740 3.007 2.709 3.241 . 0 0 "[ . 1 . 2]" 2
364 1 29 THR MG 1 30 VAL HA . . 3.990 3.318 3.246 3.359 . 0 0 "[ . 1 . 2]" 2
365 1 31 HIS HE1 1 34 ILE MG . . 4.730 4.571 4.467 4.705 . 0 0 "[ . 1 . 2]" 2
366 1 34 ILE H 1 34 ILE MG . . 3.180 1.896 1.834 1.931 . 0 0 "[ . 1 . 2]" 2
367 1 34 ILE MG 1 35 HIS HD2 . . 5.500 5.335 5.130 5.432 . 0 0 "[ . 1 . 2]" 2
368 1 31 HIS HA 1 34 ILE MG . . 3.790 3.496 3.416 3.575 . 0 0 "[ . 1 . 2]" 2
369 1 34 ILE HA 1 34 ILE MG . . 3.020 2.530 2.514 2.560 . 0 0 "[ . 1 . 2]" 2
370 1 32 GLN HA 1 34 ILE MG . . 4.470 4.338 4.259 4.415 . 0 0 "[ . 1 . 2]" 2
371 1 34 ILE MG 1 35 HIS HB2 . . 5.500 5.509 5.494 5.544 0.044 19 0 "[ . 1 . 2]" 2
372 1 22 PHE HB3 1 24 TYR HB2 . . 4.320 4.222 4.089 4.325 0.005 19 0 "[ . 1 . 2]" 2
373 1 33 ARG HB3 1 34 ILE MG . . 4.300 4.080 3.925 4.174 . 0 0 "[ . 1 . 2]" 2
374 1 33 ARG HB2 1 34 ILE MG . . 4.620 3.180 3.114 3.273 . 0 0 "[ . 1 . 2]" 2
375 1 30 VAL HA 1 33 ARG HG3 . . 4.230 2.418 2.343 2.535 . 0 0 "[ . 1 . 2]" 2
376 1 34 ILE HG13 1 34 ILE MG . . 3.140 2.496 2.483 2.509 . 0 0 "[ . 1 . 2]" 2
377 1 11 LYS QE 1 21 SER QB . . 4.220 3.830 3.495 4.030 . 0 0 "[ . 1 . 2]" 2
378 1 21 SER QB 1 22 PHE QD . . 4.870 4.817 4.690 4.886 0.016 13 0 "[ . 1 . 2]" 2
379 1 14 LYS HA 1 21 SER QB . . 4.070 3.915 3.860 4.008 . 0 0 "[ . 1 . 2]" 2
380 1 10 GLU HA 1 21 SER QB . . 5.280 4.556 3.792 5.286 0.006 8 0 "[ . 1 . 2]" 2
381 1 11 LYS HB2 1 21 SER QB . . 3.570 1.958 1.901 2.001 . 0 0 "[ . 1 . 2]" 2
382 1 14 LYS QD 1 21 SER QB . . 3.930 2.816 2.329 3.795 . 0 0 "[ . 1 . 2]" 2
383 1 16 ASP QB 1 28 LEU MD1 . . 5.480 5.100 4.731 5.417 . 0 0 "[ . 1 . 2]" 2
384 1 16 ASP QB 1 17 VAL MG1 . . 3.820 3.710 3.637 3.762 . 0 0 "[ . 1 . 2]" 2
385 1 18 CYS H 1 35 HIS HE1 . . 4.430 4.430 4.377 4.448 0.018 15 0 "[ . 1 . 2]" 2
386 1 18 CYS HB3 1 35 HIS HE1 . . 3.620 2.163 2.058 2.278 . 0 0 "[ . 1 . 2]" 2
387 1 18 CYS HB2 1 35 HIS HE1 . . 3.690 3.587 3.423 3.695 0.005 5 0 "[ . 1 . 2]" 2
388 1 17 VAL HB 1 35 HIS HE1 . . 5.500 5.435 5.261 5.513 0.013 8 0 "[ . 1 . 2]" 2
389 1 34 ILE MD 1 35 HIS HE1 . . 3.710 3.351 3.247 3.587 . 0 0 "[ . 1 . 2]" 2
390 1 17 VAL MG2 1 35 HIS HE1 . . 3.660 2.702 2.536 2.788 . 0 0 "[ . 1 . 2]" 2
391 1 28 LEU HB3 1 32 GLN HG3 . . 4.710 4.701 4.643 4.723 0.013 1 0 "[ . 1 . 2]" 2
392 1 28 LEU HB3 1 28 LEU MD2 . . 3.260 2.363 2.276 2.403 . 0 0 "[ . 1 . 2]" 2
393 1 13 TYR HB2 1 28 LEU HB2 . . 4.470 3.071 2.980 3.158 . 0 0 "[ . 1 . 2]" 2
394 1 13 TYR HB3 1 28 LEU HB2 . . 4.660 2.703 2.546 2.879 . 0 0 "[ . 1 . 2]" 2
395 1 16 ASP QB 1 17 VAL HA . . 4.490 4.336 4.194 4.496 0.006 6 0 "[ . 1 . 2]" 2
396 1 22 PHE QE 1 31 HIS HE1 . . 5.010 4.648 4.415 4.756 . 0 0 "[ . 1 . 2]" 2
397 1 20 LYS HG3 1 31 HIS HE1 . . 3.590 2.283 2.126 2.435 . 0 0 "[ . 1 . 2]" 2
398 1 31 HIS HE1 1 34 ILE HG13 . . 4.560 4.389 4.315 4.514 . 0 0 "[ . 1 . 2]" 2
399 1 31 HIS HE1 1 34 ILE MD . . 3.280 3.247 3.125 3.290 0.010 9 0 "[ . 1 . 2]" 2
400 1 34 ILE HA 1 34 ILE MD . . 3.670 3.553 3.511 3.632 . 0 0 "[ . 1 . 2]" 2
401 1 32 GLN HG3 1 34 ILE MD . . 5.190 4.962 4.844 5.038 . 0 0 "[ . 1 . 2]" 2
402 1 34 ILE HB 1 34 ILE MD . . 3.360 3.222 3.212 3.226 . 0 0 "[ . 1 . 2]" 2
403 1 34 ILE MD 1 34 ILE MG . . 2.830 1.891 1.868 1.917 . 0 0 "[ . 1 . 2]" 2
404 1 17 VAL MG2 1 34 ILE MD . . 4.530 4.493 4.428 4.545 0.015 10 0 "[ . 1 . 2]" 2
405 1 12 PRO HA 1 13 TYR QD . . 5.030 4.977 4.932 5.032 0.002 4 0 "[ . 1 . 2]" 2
406 1 13 TYR HB2 1 28 LEU HB3 . . 4.420 3.835 3.719 3.930 . 0 0 "[ . 1 . 2]" 2
407 1 13 TYR HB3 1 28 LEU HB3 . . 4.560 2.963 2.896 3.040 . 0 0 "[ . 1 . 2]" 2
408 1 13 TYR HB2 1 28 LEU MD2 . . 3.550 3.317 3.245 3.400 . 0 0 "[ . 1 . 2]" 2
409 1 13 TYR HB2 1 14 LYS H . . 4.550 4.358 4.319 4.398 . 0 0 "[ . 1 . 2]" 2
410 1 34 ILE HA 1 34 ILE HB . . 2.970 2.311 2.306 2.324 . 0 0 "[ . 1 . 2]" 2
411 1 34 ILE HA 1 34 ILE HG12 . . 3.790 3.521 3.509 3.527 . 0 0 "[ . 1 . 2]" 2
412 1 27 SER HB3 1 30 VAL HB . . 4.920 4.683 4.637 4.717 . 0 0 "[ . 1 . 2]" 2
413 1 33 ARG HB3 1 34 ILE HA . . 5.230 4.396 4.272 4.484 . 0 0 "[ . 1 . 2]" 2
414 1 35 HIS H 1 36 THR HA . . 5.220 5.080 5.046 5.144 . 0 0 "[ . 1 . 2]" 2
415 1 22 PHE QD 1 27 SER HB3 . . 3.630 2.311 2.011 2.458 . 0 0 "[ . 1 . 2]" 2
416 1 34 ILE HB 1 35 HIS H . . 4.280 4.167 4.051 4.220 . 0 0 "[ . 1 . 2]" 2
417 1 34 ILE HB 1 34 ILE HG12 . . 2.970 2.521 2.500 2.561 . 0 0 "[ . 1 . 2]" 2
418 1 22 PHE HB2 1 27 SER HB3 . . 5.070 4.851 4.650 5.019 . 0 0 "[ . 1 . 2]" 2
419 1 36 THR HA 1 36 THR MG . . 3.360 3.198 3.189 3.207 . 0 0 "[ . 1 . 2]" 2
420 1 27 SER HB3 1 30 VAL MG2 . . 5.360 5.208 5.146 5.269 . 0 0 "[ . 1 . 2]" 2
421 1 22 PHE HB3 1 27 SER HB3 . . 4.570 3.308 3.125 3.462 . 0 0 "[ . 1 . 2]" 2
422 1 26 SER QB 1 30 VAL MG2 . . 4.350 3.227 2.887 3.825 . 0 0 "[ . 1 . 2]" 2
423 1 38 GLU HA 1 38 GLU HG2 . . 4.170 3.080 2.319 3.829 . 0 0 "[ . 1 . 2]" 2
424 1 38 GLU HA 1 38 GLU HG3 . . 4.170 2.843 2.239 3.817 . 0 0 "[ . 1 . 2]" 2
425 1 27 SER HA 1 30 VAL H . . 4.310 3.841 3.774 3.887 . 0 0 "[ . 1 . 2]" 2
426 1 27 SER HA 1 30 VAL HB . . 3.830 2.701 2.645 2.765 . 0 0 "[ . 1 . 2]" 2
427 1 32 GLN H 1 32 GLN HG2 . . 3.700 2.905 2.808 3.015 . 0 0 "[ . 1 . 2]" 2
428 1 26 SER HA 1 29 THR H . . 4.200 3.871 3.774 3.977 . 0 0 "[ . 1 . 2]" 2
429 1 31 HIS H 1 32 GLN HG3 . . 3.790 3.773 3.714 3.801 0.011 11 0 "[ . 1 . 2]" 2
430 1 31 HIS HD2 1 32 GLN HG2 . . 4.040 2.366 2.251 2.484 . 0 0 "[ . 1 . 2]" 2
431 1 32 GLN HG3 1 35 HIS HD2 . . 4.510 4.343 4.249 4.449 . 0 0 "[ . 1 . 2]" 2
432 1 29 THR HA 1 32 GLN HG2 . . 4.620 4.139 4.041 4.213 . 0 0 "[ . 1 . 2]" 2
433 1 32 GLN HA 1 32 GLN HG3 . . 3.730 3.329 3.272 3.370 . 0 0 "[ . 1 . 2]" 2
434 1 26 SER HA 1 29 THR MG . . 4.780 4.559 4.499 4.640 . 0 0 "[ . 1 . 2]" 2
435 1 26 SER HA 1 30 VAL MG2 . . 4.400 3.657 3.510 3.744 . 0 0 "[ . 1 . 2]" 2
436 1 28 LEU MD1 1 32 GLN HG2 . . 3.660 2.385 2.262 2.479 . 0 0 "[ . 1 . 2]" 2
437 1 14 LYS HB3 1 15 CYS H . . 4.330 4.250 4.190 4.308 . 0 0 "[ . 1 . 2]" 2
438 1 14 LYS HB2 1 21 SER HA . . 4.620 2.199 2.004 2.341 . 0 0 "[ . 1 . 2]" 2
439 1 14 LYS HB3 1 21 SER HA . . 4.620 3.775 3.603 3.890 . 0 0 "[ . 1 . 2]" 2
440 1 14 LYS HB3 1 21 SER QB . . 4.750 4.531 4.377 4.683 . 0 0 "[ . 1 . 2]" 2
441 1 14 LYS HB2 1 14 LYS QE . . 4.240 3.313 2.730 4.019 . 0 0 "[ . 1 . 2]" 2
442 1 14 LYS HB3 1 14 LYS QE . . 4.240 2.651 2.211 3.592 . 0 0 "[ . 1 . 2]" 2
443 1 28 LEU HG 1 32 GLN HG2 . . 4.310 3.691 3.621 3.811 . 0 0 "[ . 1 . 2]" 2
444 1 32 GLN HA 1 35 HIS H . . 4.320 3.095 2.974 3.167 . 0 0 "[ . 1 . 2]" 2
445 1 31 HIS HD2 1 32 GLN HA . . 3.670 2.712 2.680 2.797 . 0 0 "[ . 1 . 2]" 2
446 1 32 GLN HA 1 35 HIS HD2 . . 3.250 1.996 1.984 2.033 . 0 0 "[ . 1 . 2]" 2
447 1 31 HIS HA 1 32 GLN HA . . 5.260 4.850 4.840 4.863 . 0 0 "[ . 1 . 2]" 2
448 1 32 GLN HA 1 35 HIS HB2 . . 4.160 3.070 2.920 3.178 . 0 0 "[ . 1 . 2]" 2
449 1 32 GLN HA 1 32 GLN HG2 . . 3.330 2.529 2.503 2.568 . 0 0 "[ . 1 . 2]" 2
450 1 32 GLN HA 1 34 ILE MD . . 4.510 2.354 2.197 2.429 . 0 0 "[ . 1 . 2]" 2
451 1 32 GLN HA 1 34 ILE H . . 4.200 3.679 3.458 3.778 . 0 0 "[ . 1 . 2]" 2
452 1 31 HIS HA 1 31 HIS HD2 . . 4.580 4.474 4.452 4.524 . 0 0 "[ . 1 . 2]" 2
453 1 15 CYS HA 1 22 PHE QE . . 4.590 4.268 4.144 4.420 . 0 0 "[ . 1 . 2]" 2
454 1 28 LEU MD1 1 32 GLN HA . . 4.520 4.453 4.369 4.534 0.014 10 0 "[ . 1 . 2]" 2
455 1 31 HIS HA 1 34 ILE MD . . 4.070 3.746 3.692 3.778 . 0 0 "[ . 1 . 2]" 2
456 1 20 LYS H 1 20 LYS HB3 . . 3.570 3.511 3.495 3.548 . 0 0 "[ . 1 . 2]" 2
457 1 20 LYS HB2 1 20 LYS HE2 . . 5.010 3.901 3.713 4.204 . 0 0 "[ . 1 . 2]" 2
458 1 20 LYS HB2 1 20 LYS HE3 . . 5.300 3.616 3.383 3.807 . 0 0 "[ . 1 . 2]" 2
459 1 20 LYS HB2 1 22 PHE HZ . . 4.640 3.313 3.225 3.383 . 0 0 "[ . 1 . 2]" 2
460 1 24 TYR HA 1 24 TYR QD . . 3.700 3.066 2.398 3.229 . 0 0 "[ . 1 . 2]" 2
461 1 23 ARG HD2 1 24 TYR QD . . 4.870 3.874 2.396 4.701 . 0 0 "[ . 1 . 2]" 2
462 1 23 ARG HB2 1 24 TYR QD . . 4.200 3.682 2.013 4.008 . 0 0 "[ . 1 . 2]" 2
463 1 23 ARG HB3 1 24 TYR QD . . 4.200 2.244 1.998 3.497 . 0 0 "[ . 1 . 2]" 2
464 1 13 TYR QD 1 23 ARG HA . . 4.240 3.882 3.572 4.135 . 0 0 "[ . 1 . 2]" 2
465 1 33 ARG HA 1 34 ILE HA . . 5.020 4.756 4.711 4.772 . 0 0 "[ . 1 . 2]" 2
466 1 33 ARG HA 1 33 ARG QD . . 4.100 3.906 3.706 4.085 . 0 0 "[ . 1 . 2]" 2
467 1 13 TYR QD 1 22 PHE HB3 . . 4.720 4.526 4.416 4.711 . 0 0 "[ . 1 . 2]" 2
468 1 33 ARG HA 1 33 ARG HG2 . . 3.470 2.383 2.263 2.547 . 0 0 "[ . 1 . 2]" 2
469 1 33 ARG HA 1 33 ARG HG3 . . 3.560 3.266 3.155 3.368 . 0 0 "[ . 1 . 2]" 2
470 1 13 TYR QD 1 28 LEU HB2 . . 4.930 4.575 4.435 4.747 . 0 0 "[ . 1 . 2]" 2
471 1 13 TYR QD 1 24 TYR HA . . 4.480 2.955 2.663 3.470 . 0 0 "[ . 1 . 2]" 2
472 1 13 TYR HA 1 13 TYR QD . . 3.530 2.849 2.789 2.885 . 0 0 "[ . 1 . 2]" 2
473 1 11 LYS HA 1 23 ARG HA . . 3.310 3.072 2.626 3.289 . 0 0 "[ . 1 . 2]" 2
474 1 12 PRO HD2 1 13 TYR QD . . 3.820 3.293 3.124 3.360 . 0 0 "[ . 1 . 2]" 2
475 1 12 PRO HD3 1 23 ARG HA . . 3.870 3.578 3.331 3.873 0.003 8 0 "[ . 1 . 2]" 2
476 1 11 LYS QE 1 23 ARG HA . . 4.610 3.856 3.171 4.424 . 0 0 "[ . 1 . 2]" 2
477 1 13 TYR QD 1 28 LEU HB3 . . 4.580 4.414 4.286 4.595 0.015 4 0 "[ . 1 . 2]" 2
478 1 12 PRO HG3 1 13 TYR QD . . 4.220 3.831 3.707 4.010 . 0 0 "[ . 1 . 2]" 2
479 1 12 PRO HG2 1 13 TYR QD . . 3.750 2.168 2.024 2.358 . 0 0 "[ . 1 . 2]" 2
480 1 12 PRO HB2 1 13 TYR QD . . 4.160 3.719 3.605 3.862 . 0 0 "[ . 1 . 2]" 2
481 1 13 TYR QD 1 28 LEU MD2 . . 3.360 3.213 2.959 3.368 0.008 16 0 "[ . 1 . 2]" 2
482 1 15 CYS HA 1 28 LEU HA . . 5.500 5.490 5.366 5.524 0.024 11 0 "[ . 1 . 2]" 2
483 1 20 LYS HA 1 21 SER QB . . 5.110 4.512 4.237 4.711 . 0 0 "[ . 1 . 2]" 2
484 1 32 GLN HA 1 33 ARG HA . . 5.500 4.916 4.904 4.935 . 0 0 "[ . 1 . 2]" 2
485 1 17 VAL H 1 17 VAL HB . . 3.430 3.428 3.301 3.456 0.026 20 0 "[ . 1 . 2]" 2
486 1 17 VAL HB 1 18 CYS H . . 4.340 4.117 4.082 4.195 . 0 0 "[ . 1 . 2]" 2
487 1 17 VAL HB 1 35 HIS HD2 . . 5.140 4.963 4.883 5.070 . 0 0 "[ . 1 . 2]" 2
488 1 17 VAL HB 1 35 HIS HB3 . . 4.610 4.155 4.034 4.267 . 0 0 "[ . 1 . 2]" 2
489 1 11 LYS HB2 1 11 LYS QE . . 4.830 4.047 3.156 4.504 . 0 0 "[ . 1 . 2]" 2
490 1 11 LYS HB3 1 11 LYS QE . . 4.830 4.067 3.366 4.419 . 0 0 "[ . 1 . 2]" 2
491 1 16 ASP QB 1 17 VAL HB . . 4.640 4.514 4.464 4.571 . 0 0 "[ . 1 . 2]" 2
492 1 20 LYS HA 1 20 LYS HD2 . . 3.230 2.328 2.229 2.362 . 0 0 "[ . 1 . 2]" 2
493 1 20 LYS HA 1 20 LYS HG2 . . 3.550 2.462 2.440 2.505 . 0 0 "[ . 1 . 2]" 2
494 1 22 PHE QE 1 28 LEU HA . . 4.090 3.163 3.086 3.277 . 0 0 "[ . 1 . 2]" 2
495 1 27 SER HB2 1 28 LEU HA . . 4.400 4.177 4.119 4.248 . 0 0 "[ . 1 . 2]" 2
496 1 28 LEU HA 1 31 HIS HB3 . . 3.590 2.689 2.583 2.745 . 0 0 "[ . 1 . 2]" 2
497 1 28 LEU HA 1 32 GLN HG3 . . 4.850 4.008 3.926 4.094 . 0 0 "[ . 1 . 2]" 2
498 1 28 LEU HA 1 28 LEU HG . . 3.900 3.322 3.292 3.346 . 0 0 "[ . 1 . 2]" 2
499 1 11 LYS HB3 1 21 SER QB . . 3.570 3.148 2.501 3.474 . 0 0 "[ . 1 . 2]" 2
500 1 21 SER H 1 22 PHE QD . . 4.810 4.816 4.794 4.825 0.015 18 0 "[ . 1 . 2]" 2
501 1 22 PHE HA 1 22 PHE QD . . 4.430 2.827 2.807 2.859 . 0 0 "[ . 1 . 2]" 2
502 1 22 PHE QD 1 27 SER HB2 . . 4.070 2.710 2.490 2.893 . 0 0 "[ . 1 . 2]" 2
503 1 22 PHE QD 1 28 LEU HA . . 3.990 2.885 2.835 2.936 . 0 0 "[ . 1 . 2]" 2
504 1 13 TYR HB3 1 22 PHE QD . . 4.900 4.323 4.219 4.603 . 0 0 "[ . 1 . 2]" 2
505 1 22 PHE QD 1 28 LEU HB3 . . 4.380 4.157 4.085 4.252 . 0 0 "[ . 1 . 2]" 2
506 1 22 PHE QD 1 28 LEU HG . . 4.830 4.530 4.472 4.604 . 0 0 "[ . 1 . 2]" 2
507 1 22 PHE QD 1 28 LEU HB2 . . 3.890 2.525 2.428 2.657 . 0 0 "[ . 1 . 2]" 2
508 1 22 PHE QD 1 28 LEU MD1 . . 3.350 2.121 1.972 2.238 . 0 0 "[ . 1 . 2]" 2
509 1 14 LYS HA 1 22 PHE QD . . 4.630 2.661 2.545 2.762 . 0 0 "[ . 1 . 2]" 2
510 1 13 TYR HA 1 21 SER HA . . 5.500 5.520 5.481 5.550 0.050 17 0 "[ . 1 . 2]" 2
511 1 11 LYS HA 1 12 PRO HB3 . . 5.110 4.851 4.831 4.942 . 0 0 "[ . 1 . 2]" 2
512 1 29 THR MG 1 30 VAL HB . . 5.220 5.079 5.023 5.106 . 0 0 "[ . 1 . 2]" 2
513 1 18 CYS H 1 18 CYS HB2 . . 3.870 3.789 3.771 3.818 . 0 0 "[ . 1 . 2]" 2
514 1 18 CYS HB2 1 19 HIS H . . 4.560 4.300 4.236 4.353 . 0 0 "[ . 1 . 2]" 2
515 1 21 SER HA 1 22 PHE QD . . 3.930 3.477 3.397 3.519 . 0 0 "[ . 1 . 2]" 2
516 1 14 LYS HA 1 21 SER HA . . 3.570 2.050 1.985 2.092 . 0 0 "[ . 1 . 2]" 2
517 1 14 LYS QE 1 21 SER HA . . 5.390 4.958 4.451 5.389 . 0 0 "[ . 1 . 2]" 2
518 1 14 LYS QD 1 21 SER HA . . 4.740 3.290 3.001 3.738 . 0 0 "[ . 1 . 2]" 2
519 1 14 LYS QG 1 21 SER HA . . 4.120 2.883 2.692 3.282 . 0 0 "[ . 1 . 2]" 2
520 1 18 CYS HB2 1 20 LYS HG2 . . 4.540 3.697 3.559 3.775 . 0 0 "[ . 1 . 2]" 2
521 1 18 CYS HB3 1 20 LYS HG2 . . 4.730 4.722 4.627 4.739 0.009 20 0 "[ . 1 . 2]" 2
522 1 17 VAL MG1 1 18 CYS HB2 . . 4.850 4.548 4.501 4.628 . 0 0 "[ . 1 . 2]" 2
523 1 18 CYS HB3 1 19 HIS H . . 4.410 4.169 4.064 4.240 . 0 0 "[ . 1 . 2]" 2
524 1 21 SER HA 1 22 PHE HB2 . . 4.460 4.377 4.349 4.405 . 0 0 "[ . 1 . 2]" 2
525 1 20 LYS HA 1 22 PHE QE . . 4.380 4.238 4.201 4.279 . 0 0 "[ . 1 . 2]" 2
526 1 22 PHE QE 1 31 HIS HB2 . . 3.560 3.015 2.883 3.108 . 0 0 "[ . 1 . 2]" 2
527 1 20 LYS HB2 1 22 PHE QE . . 3.700 2.326 2.219 2.424 . 0 0 "[ . 1 . 2]" 2
528 1 20 LYS HB3 1 22 PHE QE . . 4.050 2.177 2.128 2.288 . 0 0 "[ . 1 . 2]" 2
529 1 22 PHE QE 1 28 LEU HB2 . . 4.480 4.180 4.071 4.282 . 0 0 "[ . 1 . 2]" 2
530 1 33 ARG H 1 33 ARG HB3 . . 3.680 3.592 3.583 3.598 . 0 0 "[ . 1 . 2]" 2
531 1 15 CYS HB2 1 22 PHE QE . . 3.650 2.416 2.341 2.496 . 0 0 "[ . 1 . 2]" 2
532 1 15 CYS HB3 1 22 PHE QE . . 4.240 4.115 4.053 4.182 . 0 0 "[ . 1 . 2]" 2
533 1 14 LYS HA 1 15 CYS HB3 . . 5.300 5.113 5.079 5.146 . 0 0 "[ . 1 . 2]" 2
534 1 15 CYS HB3 1 19 HIS HA . . 4.150 3.293 3.184 3.395 . 0 0 "[ . 1 . 2]" 2
535 1 15 CYS HB2 1 20 LYS HB2 . . 4.350 2.109 2.005 2.177 . 0 0 "[ . 1 . 2]" 2
536 1 14 LYS QG 1 15 CYS HB2 . . 4.420 4.018 3.931 4.089 . 0 0 "[ . 1 . 2]" 2
537 1 14 LYS QG 1 15 CYS HB3 . . 4.560 3.893 3.763 3.935 . 0 0 "[ . 1 . 2]" 2
538 1 15 CYS HB2 1 28 LEU MD1 . . 3.710 2.663 2.598 2.789 . 0 0 "[ . 1 . 2]" 2
539 1 15 CYS HB3 1 28 LEU MD1 . . 3.960 3.744 3.674 3.877 . 0 0 "[ . 1 . 2]" 2
540 1 15 CYS HB2 1 19 HIS H . . 4.150 3.862 3.683 3.996 . 0 0 "[ . 1 . 2]" 2
541 1 14 LYS HA 1 15 CYS HB2 . . 4.440 4.264 4.254 4.288 . 0 0 "[ . 1 . 2]" 2
542 1 11 LYS HD2 1 21 SER QB . . 4.590 3.714 2.110 4.450 . 0 0 "[ . 1 . 2]" 2
543 1 20 LYS HD3 1 31 HIS HE1 . . 4.270 4.160 4.034 4.284 0.014 19 0 "[ . 1 . 2]" 2
544 1 20 LYS HD2 1 31 HIS HE1 . . 5.240 4.969 4.855 5.118 . 0 0 "[ . 1 . 2]" 2
545 1 14 LYS QD 1 21 SER H . . 4.030 3.540 3.277 3.888 . 0 0 "[ . 1 . 2]" 2
546 1 20 LYS HD3 1 22 PHE QE . . 5.440 5.269 5.201 5.376 . 0 0 "[ . 1 . 2]" 2
547 1 20 LYS HD2 1 22 PHE QE . . 4.700 4.503 4.441 4.609 . 0 0 "[ . 1 . 2]" 2
548 1 20 LYS HD2 1 22 PHE HZ . . 4.550 4.377 4.272 4.534 . 0 0 "[ . 1 . 2]" 2
549 1 20 LYS HD3 1 22 PHE HZ . . 5.030 4.868 4.764 5.031 0.001 8 0 "[ . 1 . 2]" 2
550 1 14 LYS QD 1 19 HIS HA . . 4.150 3.075 2.872 3.316 . 0 0 "[ . 1 . 2]" 2
551 1 11 LYS HA 1 11 LYS HD3 . . 4.500 2.990 1.973 4.507 0.007 17 0 "[ . 1 . 2]" 2
552 1 11 LYS HA 1 11 LYS HD2 . . 4.500 3.360 2.753 3.996 . 0 0 "[ . 1 . 2]" 2
553 1 14 LYS QD 1 20 LYS HA . . 4.810 4.280 4.012 4.663 . 0 0 "[ . 1 . 2]" 2
554 1 20 LYS HA 1 20 LYS HD3 . . 4.980 3.585 3.535 3.642 . 0 0 "[ . 1 . 2]" 2
555 1 11 LYS HD3 1 21 SER QB . . 4.590 3.497 1.982 4.386 . 0 0 "[ . 1 . 2]" 2
556 1 14 LYS QD 1 19 HIS HB2 . . 4.600 4.136 3.890 4.547 . 0 0 "[ . 1 . 2]" 2
557 1 20 LYS HB3 1 20 LYS HD2 . . 3.640 2.616 2.589 2.675 . 0 0 "[ . 1 . 2]" 2
558 1 14 LYS H 1 14 LYS QD . . 5.160 4.971 4.628 5.059 . 0 0 "[ . 1 . 2]" 2
559 1 20 LYS HA 1 22 PHE HZ . . 5.500 5.101 5.014 5.187 . 0 0 "[ . 1 . 2]" 2
560 1 22 PHE HZ 1 31 HIS HA . . 5.500 4.944 4.828 5.036 . 0 0 "[ . 1 . 2]" 2
561 1 22 PHE HZ 1 31 HIS HB3 . . 4.400 3.038 2.910 3.219 . 0 0 "[ . 1 . 2]" 2
562 1 20 LYS HG3 1 22 PHE HZ . . 3.650 3.539 3.457 3.660 0.010 11 0 "[ . 1 . 2]" 2
563 1 22 PHE HZ 1 28 LEU MD1 . . 4.540 3.926 3.811 4.206 . 0 0 "[ . 1 . 2]" 2
564 1 31 HIS HB2 1 32 GLN H . . 4.330 4.045 4.001 4.088 . 0 0 "[ . 1 . 2]" 2
565 1 32 GLN H 1 32 GLN HB3 . . 3.590 3.585 3.579 3.588 . 0 0 "[ . 1 . 2]" 2
566 1 32 GLN HB3 1 32 GLN HE22 . . 4.440 3.796 3.636 3.883 . 0 0 "[ . 1 . 2]" 2
567 1 35 HIS H 1 35 HIS HB3 . . 3.790 3.604 3.596 3.610 . 0 0 "[ . 1 . 2]" 2
568 1 32 GLN HB3 1 33 ARG H . . 4.570 4.182 4.151 4.207 . 0 0 "[ . 1 . 2]" 2
569 1 32 GLN HB3 1 35 HIS H . . 4.920 4.161 4.058 4.220 . 0 0 "[ . 1 . 2]" 2
570 1 22 PHE QE 1 31 HIS HB3 . . 4.300 3.355 3.271 3.406 . 0 0 "[ . 1 . 2]" 2
571 1 35 HIS HB3 1 35 HIS HD2 . . 3.760 3.585 3.554 3.660 . 0 0 "[ . 1 . 2]" 2
572 1 29 THR HA 1 32 GLN HB3 . . 4.400 4.303 4.230 4.362 . 0 0 "[ . 1 . 2]" 2
573 1 32 GLN HA 1 35 HIS HB3 . . 4.870 4.611 4.466 4.725 . 0 0 "[ . 1 . 2]" 2
574 1 28 LEU HA 1 31 HIS HB2 . . 4.280 4.128 4.033 4.192 . 0 0 "[ . 1 . 2]" 2
575 1 22 PHE HZ 1 31 HIS HB2 . . 3.950 2.912 2.733 3.020 . 0 0 "[ . 1 . 2]" 2
576 1 20 LYS HB3 1 22 PHE HZ . . 4.190 2.440 2.356 2.536 . 0 0 "[ . 1 . 2]" 2
577 1 28 LEU MD1 1 31 HIS HB2 . . 5.000 4.891 4.837 4.995 . 0 0 "[ . 1 . 2]" 2
578 1 17 VAL MG1 1 35 HIS HB2 . . 3.960 3.093 3.027 3.147 . 0 0 "[ . 1 . 2]" 2
579 1 17 VAL MG2 1 35 HIS HB3 . . 4.170 3.102 3.051 3.182 . 0 0 "[ . 1 . 2]" 2
580 1 17 VAL MG2 1 35 HIS HB2 . . 4.480 4.272 4.236 4.337 . 0 0 "[ . 1 . 2]" 2
581 1 28 LEU MD1 1 32 GLN HB2 . . 4.660 4.514 4.368 4.616 . 0 0 "[ . 1 . 2]" 2
582 1 30 VAL HA 1 33 ARG HG2 . . 4.280 3.593 3.455 3.749 . 0 0 "[ . 1 . 2]" 2
583 1 35 HIS HB2 1 35 HIS HD2 . . 3.570 2.701 2.690 2.709 . 0 0 "[ . 1 . 2]" 2
584 1 32 GLN HG2 1 35 HIS HD2 . . 3.970 2.797 2.679 2.917 . 0 0 "[ . 1 . 2]" 2
585 1 32 GLN HB3 1 35 HIS HD2 . . 4.480 3.065 2.966 3.221 . 0 0 "[ . 1 . 2]" 2
586 1 17 VAL MG2 1 35 HIS HD2 . . 4.090 4.045 4.000 4.096 0.006 5 0 "[ . 1 . 2]" 2
587 1 19 HIS HB2 1 20 LYS H . . 4.720 4.330 4.248 4.423 . 0 0 "[ . 1 . 2]" 2
588 1 19 HIS HB3 1 20 LYS H . . 4.720 4.437 4.339 4.503 . 0 0 "[ . 1 . 2]" 2
589 1 28 LEU HG 1 32 GLN HG3 . . 3.950 2.663 2.608 2.726 . 0 0 "[ . 1 . 2]" 2
590 1 19 HIS H 1 19 HIS HB2 . . 4.200 3.613 3.319 3.787 . 0 0 "[ . 1 . 2]" 2
591 1 23 ARG HA 1 23 ARG HG2 . . 4.070 3.276 2.191 3.872 . 0 0 "[ . 1 . 2]" 2
592 1 23 ARG HA 1 23 ARG HG3 . . 4.070 2.850 2.504 3.555 . 0 0 "[ . 1 . 2]" 2
593 1 14 LYS QD 1 19 HIS HB3 . . 4.600 2.744 2.553 3.113 . 0 0 "[ . 1 . 2]" 2
594 1 14 LYS QG 1 19 HIS HB2 . . 4.880 4.594 4.464 4.745 . 0 0 "[ . 1 . 2]" 2
595 1 22 PHE QD 1 31 HIS HD2 . . 5.490 5.071 4.883 5.193 . 0 0 "[ . 1 . 2]" 2
596 1 31 HIS HD2 1 35 HIS HD2 . . 4.190 3.275 3.121 3.405 . 0 0 "[ . 1 . 2]" 2
597 1 15 CYS HA 1 31 HIS HD2 . . 4.870 4.677 4.551 4.765 . 0 0 "[ . 1 . 2]" 2
598 1 15 CYS HB2 1 31 HIS HD2 . . 3.860 3.507 3.424 3.583 . 0 0 "[ . 1 . 2]" 2
599 1 31 HIS HB3 1 31 HIS HD2 . . 3.950 2.871 2.849 2.883 . 0 0 "[ . 1 . 2]" 2
600 1 31 HIS HD2 1 32 GLN HG3 . . 3.220 3.020 2.902 3.136 . 0 0 "[ . 1 . 2]" 2
601 1 31 HIS HD2 1 32 GLN HB2 . . 4.650 4.439 4.348 4.501 . 0 0 "[ . 1 . 2]" 2
602 1 31 HIS HD2 1 32 GLN HB3 . . 4.650 4.310 4.226 4.380 . 0 0 "[ . 1 . 2]" 2
603 1 28 LEU HG 1 31 HIS HD2 . . 4.870 4.688 4.569 4.826 . 0 0 "[ . 1 . 2]" 2
604 1 28 LEU MD1 1 31 HIS HD2 . . 3.370 2.869 2.766 2.941 . 0 0 "[ . 1 . 2]" 2
605 1 11 LYS HA 1 12 PRO HG3 . . 4.500 4.370 4.317 4.417 . 0 0 "[ . 1 . 2]" 2
606 1 11 LYS HA 1 12 PRO HG2 . . 4.550 4.322 4.130 4.432 . 0 0 "[ . 1 . 2]" 2
607 1 34 ILE HG12 1 35 HIS HE1 . . 4.590 3.943 3.857 4.061 . 0 0 "[ . 1 . 2]" 2
608 1 34 ILE H 1 34 ILE HG12 . . 3.920 3.619 3.443 3.697 . 0 0 "[ . 1 . 2]" 2
609 1 34 ILE HG12 1 35 HIS H . . 4.280 2.765 2.423 2.926 . 0 0 "[ . 1 . 2]" 2
610 1 34 ILE HG12 1 34 ILE MG . . 3.450 3.193 3.187 3.196 . 0 0 "[ . 1 . 2]" 2
611 1 13 TYR H 1 28 LEU MD2 . . 5.040 4.893 4.756 5.012 . 0 0 "[ . 1 . 2]" 2
612 1 20 LYS H 1 20 LYS HG3 . . 4.070 4.082 4.065 4.100 0.030 12 0 "[ . 1 . 2]" 2
613 1 20 LYS H 1 20 LYS HG2 . . 3.770 3.385 3.313 3.426 . 0 0 "[ . 1 . 2]" 2
614 1 28 LEU MD2 1 32 GLN HE22 . . 4.280 3.965 3.850 4.164 . 0 0 "[ . 1 . 2]" 2
615 1 22 PHE QD 1 28 LEU MD2 . . 4.290 3.540 3.417 3.781 . 0 0 "[ . 1 . 2]" 2
616 1 13 TYR QE 1 28 LEU MD2 . . 5.500 5.033 4.794 5.180 . 0 0 "[ . 1 . 2]" 2
617 1 28 LEU MD2 1 31 HIS HD2 . . 5.500 5.406 5.333 5.507 0.007 11 0 "[ . 1 . 2]" 2
618 1 13 TYR HA 1 28 LEU MD2 . . 3.770 2.968 2.794 3.092 . 0 0 "[ . 1 . 2]" 2
619 1 20 LYS HA 1 20 LYS HG3 . . 3.820 3.628 3.621 3.639 . 0 0 "[ . 1 . 2]" 2
620 1 28 LEU HA 1 28 LEU MD2 . . 4.130 3.917 3.893 3.948 . 0 0 "[ . 1 . 2]" 2
621 1 25 GLY HA2 1 28 LEU MD2 . . 3.770 3.625 3.425 3.774 0.004 6 0 "[ . 1 . 2]" 2
622 1 28 LEU HB2 1 28 LEU MD2 . . 3.300 2.319 2.279 2.414 . 0 0 "[ . 1 . 2]" 2
623 1 39 LYS HA 1 40 PRO HD2 . . 3.290 2.187 1.955 2.517 . 0 0 "[ . 1 . 2]" 2
624 1 39 LYS HA 1 40 PRO HD3 . . 3.290 2.292 2.258 2.352 . 0 0 "[ . 1 . 2]" 2
625 1 12 PRO HD3 1 13 TYR QE . . 5.280 5.088 4.929 5.166 . 0 0 "[ . 1 . 2]" 2
626 1 11 LYS HA 1 12 PRO HD2 . . 3.360 2.162 1.923 2.301 . 0 0 "[ . 1 . 2]" 2
627 1 11 LYS HA 1 12 PRO HD3 . . 3.320 2.286 2.258 2.421 . 0 0 "[ . 1 . 2]" 2
628 1 11 LYS HA 1 11 LYS HG2 . . 4.090 3.343 3.128 3.642 . 0 0 "[ . 1 . 2]" 2
629 1 11 LYS HA 1 11 LYS HG3 . . 4.090 3.202 2.174 3.872 . 0 0 "[ . 1 . 2]" 2
630 1 11 LYS HG2 1 21 SER QB . . 4.460 2.076 1.976 3.022 . 0 0 "[ . 1 . 2]" 2
631 1 11 LYS HG3 1 21 SER QB . . 4.460 2.811 2.221 4.034 . 0 0 "[ . 1 . 2]" 2
632 1 42 GLY HA2 1 43 PRO QD . . 3.350 2.182 1.864 3.162 . 0 0 "[ . 1 . 2]" 2
633 1 14 LYS QG 1 20 LYS H . . 4.640 2.951 2.804 3.132 . 0 0 "[ . 1 . 2]" 2
634 1 14 LYS QG 1 21 SER H . . 5.220 3.314 3.072 3.736 . 0 0 "[ . 1 . 2]" 2
635 1 14 LYS HA 1 14 LYS QG . . 3.900 2.543 2.495 2.738 . 0 0 "[ . 1 . 2]" 2
636 1 14 LYS QG 1 19 HIS HA . . 3.670 2.416 2.341 2.514 . 0 0 "[ . 1 . 2]" 2
637 1 14 LYS QG 1 21 SER QB . . 4.200 3.709 3.494 4.044 . 0 0 "[ . 1 . 2]" 2
638 1 14 LYS QG 1 28 LEU MD2 . . 5.050 4.939 4.774 5.051 0.001 19 0 "[ . 1 . 2]" 2
639 1 12 PRO HB3 1 13 TYR QD . . 4.960 4.850 4.742 4.967 0.007 17 0 "[ . 1 . 2]" 2
640 1 11 LYS QE 1 12 PRO HD2 . . 5.130 4.726 3.811 5.155 0.025 17 0 "[ . 1 . 2]" 2
641 1 12 PRO HD2 1 13 TYR HB2 . . 5.450 4.641 4.611 4.684 . 0 0 "[ . 1 . 2]" 2
642 1 11 LYS QE 1 12 PRO HD3 . . 5.500 5.050 3.725 5.542 0.042 9 0 "[ . 1 . 2]" 2
643 1 12 PRO HD3 1 13 TYR QD . . 4.800 4.668 4.591 4.762 . 0 0 "[ . 1 . 2]" 2
644 1 14 LYS HB2 1 21 SER QB . . 4.750 2.987 2.856 3.157 . 0 0 "[ . 1 . 2]" 2
645 1 13 TYR H 1 14 LYS HB2 . . 5.500 4.634 4.568 4.857 . 0 0 "[ . 1 . 2]" 2
646 1 13 TYR H 1 14 LYS HB3 . . 5.500 5.237 5.000 5.360 . 0 0 "[ . 1 . 2]" 2
647 1 14 LYS QG 1 19 HIS H . . 4.750 4.072 3.970 4.145 . 0 0 "[ . 1 . 2]" 2
648 1 14 LYS HA 1 14 LYS QD . . 4.680 3.865 3.682 4.060 . 0 0 "[ . 1 . 2]" 2
649 1 14 LYS QD 1 15 CYS H . . 4.870 4.492 4.367 4.634 . 0 0 "[ . 1 . 2]" 2
650 1 14 LYS QE 1 19 HIS HD2 . . 5.500 4.795 4.073 5.392 . 0 0 "[ . 1 . 2]" 2
651 1 14 LYS H 1 14 LYS QE . . 5.500 4.923 4.411 5.451 . 0 0 "[ . 1 . 2]" 2
652 1 15 CYS HB3 1 22 PHE QD . . 5.500 5.505 5.447 5.526 0.026 19 0 "[ . 1 . 2]" 2
653 1 15 CYS HB3 1 17 VAL H . . 4.790 2.756 2.706 2.915 . 0 0 "[ . 1 . 2]" 2
654 1 16 ASP HA 1 18 CYS H . . 4.660 4.598 4.466 4.656 . 0 0 "[ . 1 . 2]" 2
655 1 16 ASP QB 1 17 VAL MG2 . . 5.500 5.434 5.384 5.507 0.007 6 0 "[ . 1 . 2]" 2
656 1 16 ASP HA 1 17 VAL HA . . 4.690 4.470 4.450 4.547 . 0 0 "[ . 1 . 2]" 2
657 1 17 VAL MG1 1 35 HIS H . . 5.010 4.725 4.631 4.769 . 0 0 "[ . 1 . 2]" 2
658 1 17 VAL MG1 1 35 HIS HE1 . . 4.840 3.336 3.263 3.411 . 0 0 "[ . 1 . 2]" 2
659 1 17 VAL MG1 1 18 CYS HB3 . . 4.690 3.138 3.062 3.220 . 0 0 "[ . 1 . 2]" 2
660 1 17 VAL H 1 18 CYS HB3 . . 5.040 4.691 4.619 4.750 . 0 0 "[ . 1 . 2]" 2
661 1 14 LYS QG 1 19 HIS HB3 . . 4.880 3.628 3.511 3.814 . 0 0 "[ . 1 . 2]" 2
662 1 20 LYS HA 1 20 LYS HE2 . . 5.450 4.727 4.609 4.886 . 0 0 "[ . 1 . 2]" 2
663 1 20 LYS HA 1 20 LYS HE3 . . 5.500 3.952 3.821 4.028 . 0 0 "[ . 1 . 2]" 2
664 1 15 CYS HB3 1 20 LYS HA . . 4.990 4.740 4.715 4.769 . 0 0 "[ . 1 . 2]" 2
665 1 15 CYS HB2 1 20 LYS HB3 . . 4.880 3.431 3.330 3.524 . 0 0 "[ . 1 . 2]" 2
666 1 20 LYS HG3 1 22 PHE QE . . 4.660 3.989 3.908 4.082 . 0 0 "[ . 1 . 2]" 2
667 1 20 LYS HG2 1 22 PHE HZ . . 5.060 4.827 4.742 4.944 . 0 0 "[ . 1 . 2]" 2
668 1 20 LYS HG2 1 22 PHE QE . . 4.750 4.639 4.567 4.717 . 0 0 "[ . 1 . 2]" 2
669 1 20 LYS HE2 1 22 PHE HZ . . 4.920 2.887 2.573 3.252 . 0 0 "[ . 1 . 2]" 2
670 1 20 LYS HE3 1 22 PHE HZ . . 4.700 2.355 2.045 2.635 . 0 0 "[ . 1 . 2]" 2
671 1 20 LYS HE3 1 21 SER H . . 4.990 4.807 4.584 4.998 0.008 12 0 "[ . 1 . 2]" 2
672 1 11 LYS HA 1 21 SER QB . . 4.710 4.301 4.140 4.685 . 0 0 "[ . 1 . 2]" 2
673 1 22 PHE HB2 1 28 LEU HG . . 5.400 5.226 5.116 5.320 . 0 0 "[ . 1 . 2]" 2
674 1 13 TYR H 1 22 PHE HB3 . . 5.500 5.450 5.285 5.546 0.046 17 0 "[ . 1 . 2]" 2
675 1 15 CYS HA 1 22 PHE QD . . 5.000 4.623 4.529 4.695 . 0 0 "[ . 1 . 2]" 2
676 1 21 SER HA 1 22 PHE QE . . 4.780 4.758 4.699 4.791 0.011 4 0 "[ . 1 . 2]" 2
677 1 22 PHE QE 1 31 HIS H . . 5.200 4.979 4.879 5.065 . 0 0 "[ . 1 . 2]" 2
678 1 20 LYS H 1 22 PHE HZ . . 5.500 5.451 5.361 5.507 0.007 15 0 "[ . 1 . 2]" 2
679 1 12 PRO HD2 1 23 ARG HA . . 3.500 2.202 1.992 2.502 . 0 0 "[ . 1 . 2]" 2
680 1 13 TYR H 1 23 ARG HA . . 4.710 4.235 3.963 4.425 . 0 0 "[ . 1 . 2]" 2
681 1 23 ARG HG2 1 24 TYR QE . . 4.910 2.832 1.996 4.911 0.001 16 0 "[ . 1 . 2]" 2
682 1 23 ARG HG3 1 24 TYR QE . . 4.910 3.573 2.085 4.861 . 0 0 "[ . 1 . 2]" 2
683 1 23 ARG HD3 1 24 TYR QD . . 4.870 4.187 3.163 4.847 . 0 0 "[ . 1 . 2]" 2
684 1 26 SER HA 1 30 VAL H . . 4.750 4.024 3.940 4.127 . 0 0 "[ . 1 . 2]" 2
685 1 26 SER HA 1 28 LEU H . . 4.710 4.553 4.453 4.688 . 0 0 "[ . 1 . 2]" 2
686 1 26 SER QB 1 29 THR H . . 5.500 5.362 5.220 5.502 0.002 4 0 "[ . 1 . 2]" 2
687 1 24 TYR HB3 1 26 SER QB . . 4.800 3.438 3.124 4.365 . 0 0 "[ . 1 . 2]" 2
688 1 24 TYR HB2 1 26 SER QB . . 4.850 4.096 3.653 4.862 0.012 20 0 "[ . 1 . 2]" 2
689 1 24 TYR H 1 27 SER HB3 . . 4.850 4.651 4.508 4.808 . 0 0 "[ . 1 . 2]" 2
690 1 27 SER HB2 1 30 VAL MG2 . . 5.500 5.510 5.497 5.521 0.021 11 0 "[ . 1 . 2]" 2
691 1 13 TYR HB3 1 28 LEU MD2 . . 3.190 1.986 1.952 2.084 . 0 0 "[ . 1 . 2]" 2
692 1 28 LEU MD2 1 29 THR HA . . 4.710 4.421 4.278 4.489 . 0 0 "[ . 1 . 2]" 2
693 1 28 LEU MD2 1 29 THR HB . . 5.500 5.488 5.355 5.519 0.019 10 0 "[ . 1 . 2]" 2
694 1 28 LEU H 1 29 THR HB . . 5.240 5.125 5.081 5.194 . 0 0 "[ . 1 . 2]" 2
695 1 27 SER HA 1 30 VAL MG2 . . 3.700 3.053 3.002 3.117 . 0 0 "[ . 1 . 2]" 2
696 1 30 VAL MG1 1 32 GLN H . . 5.400 5.371 5.329 5.409 0.009 19 0 "[ . 1 . 2]" 2
697 1 30 VAL HB 1 31 HIS HA . . 4.710 4.459 4.428 4.490 . 0 0 "[ . 1 . 2]" 2
698 1 31 HIS HA 1 33 ARG HG3 . . 4.430 4.162 3.984 4.428 . 0 0 "[ . 1 . 2]" 2
699 1 31 HIS HA 1 33 ARG H . . 4.090 3.494 3.461 3.529 . 0 0 "[ . 1 . 2]" 2
700 1 31 HIS HA 1 34 ILE H . . 4.540 4.199 4.141 4.299 . 0 0 "[ . 1 . 2]" 2
701 1 22 PHE QD 1 31 HIS HB3 . . 4.950 4.400 4.278 4.449 . 0 0 "[ . 1 . 2]" 2
702 1 31 HIS HB3 1 33 ARG H . . 5.500 4.790 4.771 4.819 . 0 0 "[ . 1 . 2]" 2
703 1 22 PHE QD 1 31 HIS HB2 . . 4.760 4.721 4.547 4.778 0.018 17 0 "[ . 1 . 2]" 2
704 1 20 LYS H 1 31 HIS HD2 . . 5.500 5.472 5.409 5.509 0.009 2 0 "[ . 1 . 2]" 2
705 1 31 HIS HD2 1 34 ILE H . . 5.500 5.501 5.382 5.520 0.020 2 0 "[ . 1 . 2]" 2
706 1 15 CYS H 1 31 HIS HD2 . . 5.500 5.151 5.016 5.272 . 0 0 "[ . 1 . 2]" 2
707 1 20 LYS HG2 1 31 HIS HE1 . . 4.850 3.966 3.793 4.111 . 0 0 "[ . 1 . 2]" 2
708 1 20 LYS HB3 1 31 HIS HE1 . . 4.770 4.170 4.019 4.338 . 0 0 "[ . 1 . 2]" 2
709 1 31 HIS HA 1 31 HIS HE1 . . 5.500 5.532 5.516 5.547 0.047 12 0 "[ . 1 . 2]" 2
710 1 22 PHE HZ 1 31 HIS HE1 . . 4.730 3.674 3.406 3.883 . 0 0 "[ . 1 . 2]" 2
711 1 29 THR HA 1 32 GLN HG3 . . 4.800 2.448 2.335 2.526 . 0 0 "[ . 1 . 2]" 2
712 1 32 GLN HG2 1 33 ARG H . . 5.020 4.961 4.918 5.017 . 0 0 "[ . 1 . 2]" 2
713 1 33 ARG HG2 1 34 ILE H . . 4.990 4.922 4.844 5.008 0.018 19 0 "[ . 1 . 2]" 2
714 1 34 ILE MD 1 35 HIS HD2 . . 4.780 2.667 2.452 2.791 . 0 0 "[ . 1 . 2]" 2
715 1 32 GLN HB2 1 35 HIS HD2 . . 4.730 4.387 4.321 4.507 . 0 0 "[ . 1 . 2]" 2
716 1 18 CYS H 1 35 HIS HD2 . . 5.080 4.701 4.607 4.816 . 0 0 "[ . 1 . 2]" 2
717 1 30 VAL HB 1 31 HIS HB3 . . 4.690 4.601 4.583 4.623 . 0 0 "[ . 1 . 2]" 2
718 1 30 VAL HB 1 31 HIS HB2 . . 5.000 4.708 4.684 4.749 . 0 0 "[ . 1 . 2]" 2
719 1 42 GLY HA3 1 43 PRO QD . . 3.350 2.557 1.884 3.353 0.003 6 0 "[ . 1 . 2]" 2
720 1 10 GLU H 1 10 GLU QB . . 3.600 2.681 2.168 3.199 . 0 0 "[ . 1 . 2]" 2
721 1 10 GLU H 1 10 GLU QG . . 4.500 3.272 1.891 4.270 . 0 0 "[ . 1 . 2]" 2
722 1 10 GLU HA 1 10 GLU QG . . 3.700 2.737 2.158 3.454 . 0 0 "[ . 1 . 2]" 2
723 1 10 GLU QB 1 11 LYS H . . 4.450 3.127 2.027 4.000 . 0 0 "[ . 1 . 2]" 2
724 1 11 LYS H 1 11 LYS QG . . 4.570 2.749 1.844 3.854 . 0 0 "[ . 1 . 2]" 2
725 1 11 LYS HA 1 11 LYS QG . . 3.500 2.728 2.153 3.113 . 0 0 "[ . 1 . 2]" 2
726 1 11 LYS HA 1 23 ARG QB . . 4.570 4.577 4.359 4.632 0.062 10 0 "[ . 1 . 2]" 2
727 1 11 LYS QB 1 11 LYS QE . . 4.020 3.592 3.015 3.839 . 0 0 "[ . 1 . 2]" 2
728 1 11 LYS QB 1 12 PRO HA . . 4.940 4.620 4.580 4.685 . 0 0 "[ . 1 . 2]" 2
729 1 11 LYS QB 1 12 PRO HD2 . . 4.270 2.606 2.161 3.546 . 0 0 "[ . 1 . 2]" 2
730 1 11 LYS QB 1 12 PRO HD3 . . 4.560 3.788 3.488 4.353 . 0 0 "[ . 1 . 2]" 2
731 1 11 LYS QB 1 13 TYR HB2 . . 5.100 3.972 3.789 4.199 . 0 0 "[ . 1 . 2]" 2
732 1 11 LYS QB 1 21 SER HA . . 4.230 2.956 2.840 3.251 . 0 0 "[ . 1 . 2]" 2
733 1 11 LYS QB 1 23 ARG HA . . 3.740 2.770 2.191 3.710 . 0 0 "[ . 1 . 2]" 2
734 1 11 LYS QG 1 12 PRO HD2 . . 4.990 3.729 2.865 4.179 . 0 0 "[ . 1 . 2]" 2
735 1 11 LYS QG 1 13 TYR H . . 5.240 4.287 3.923 4.478 . 0 0 "[ . 1 . 2]" 2
736 1 11 LYS QG 1 22 PHE H . . 4.100 2.669 2.411 2.907 . 0 0 "[ . 1 . 2]" 2
737 1 11 LYS QG 1 23 ARG HA . . 3.740 2.951 1.983 3.754 0.014 13 0 "[ . 1 . 2]" 2
738 1 11 LYS QG 1 23 ARG QB . . 4.050 3.393 2.698 3.882 . 0 0 "[ . 1 . 2]" 2
739 1 11 LYS QG 1 24 TYR H . . 5.340 4.815 4.211 5.303 . 0 0 "[ . 1 . 2]" 2
740 1 11 LYS QD 1 21 SER QB . . 3.890 3.130 1.965 3.853 . 0 0 "[ . 1 . 2]" 2
741 1 12 PRO HD2 1 23 ARG QG . . 5.340 3.844 3.106 4.529 . 0 0 "[ . 1 . 2]" 2
742 1 13 TYR H 1 14 LYS QB . . 4.800 4.339 4.262 4.421 . 0 0 "[ . 1 . 2]" 2
743 1 13 TYR HA 1 14 LYS QB . . 4.440 4.205 4.176 4.257 . 0 0 "[ . 1 . 2]" 2
744 1 14 LYS QB 1 15 CYS H . . 3.700 3.700 3.596 3.731 0.031 9 0 "[ . 1 . 2]" 2
745 1 14 LYS QB 1 19 HIS HA . . 5.340 4.503 4.410 4.606 . 0 0 "[ . 1 . 2]" 2
746 1 14 LYS QB 1 21 SER H . . 5.340 4.166 3.905 4.307 . 0 0 "[ . 1 . 2]" 2
747 1 14 LYS QG 1 19 HIS QB . . 4.190 3.499 3.401 3.663 . 0 0 "[ . 1 . 2]" 2
748 1 14 LYS QD 1 19 HIS QB . . 3.930 2.705 2.527 3.062 . 0 0 "[ . 1 . 2]" 2
749 1 14 LYS QE 1 19 HIS QB . . 3.920 3.396 1.978 3.833 . 0 0 "[ . 1 . 2]" 2
750 1 19 HIS H 1 19 HIS QB . . 3.540 3.376 3.186 3.475 . 0 0 "[ . 1 . 2]" 2
751 1 19 HIS QB 1 19 HIS HD2 . . 3.390 3.212 3.120 3.272 . 0 0 "[ . 1 . 2]" 2
752 1 19 HIS QB 1 20 LYS H . . 4.080 3.901 3.881 3.910 . 0 0 "[ . 1 . 2]" 2
753 1 22 PHE HB3 1 23 ARG QB . . 5.340 4.937 4.889 5.054 . 0 0 "[ . 1 . 2]" 2
754 1 23 ARG HA 1 23 ARG QD . . 4.250 3.481 2.133 4.245 . 0 0 "[ . 1 . 2]" 2
755 1 23 ARG QB 1 23 ARG QD . . 3.190 2.232 2.002 2.719 . 0 0 "[ . 1 . 2]" 2
756 1 23 ARG QB 1 24 TYR H . . 3.550 2.822 2.717 2.932 . 0 0 "[ . 1 . 2]" 2
757 1 23 ARG QB 1 24 TYR QD . . 3.620 2.156 1.987 2.291 . 0 0 "[ . 1 . 2]" 2
758 1 23 ARG QG 1 24 TYR H . . 5.340 3.881 3.586 4.646 . 0 0 "[ . 1 . 2]" 2
759 1 23 ARG QG 1 24 TYR QD . . 4.570 2.753 1.932 4.203 . 0 0 "[ . 1 . 2]" 2
760 1 23 ARG QG 1 24 TYR QE . . 4.290 2.554 1.834 3.672 . 0 0 "[ . 1 . 2]" 2
761 1 38 GLU H 1 38 GLU QB . . 3.390 2.517 2.181 3.128 . 0 0 "[ . 1 . 2]" 2
762 1 38 GLU H 1 38 GLU QG . . 4.670 3.576 2.253 4.418 . 0 0 "[ . 1 . 2]" 2
763 1 38 GLU HA 1 38 GLU QG . . 3.650 2.512 2.201 3.339 . 0 0 "[ . 1 . 2]" 2
764 1 38 GLU QB 1 39 LYS H . . 4.040 3.338 2.534 4.004 . 0 0 "[ . 1 . 2]" 2
765 1 38 GLU QG 1 39 LYS H . . 4.610 3.474 1.787 4.497 . 0 0 "[ . 1 . 2]" 2
766 1 39 LYS H 1 39 LYS QB . . 3.470 2.497 2.165 3.334 . 0 0 "[ . 1 . 2]" 2
767 1 39 LYS QB 1 40 PRO QD . . 3.560 2.671 1.976 3.544 . 0 0 "[ . 1 . 2]" 2
768 1 42 GLY QA 1 43 PRO QB . . 4.870 4.294 4.270 4.460 . 0 0 "[ . 1 . 2]" 2
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