NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
507848 |
2ena   |
10171 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2ena
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 70
_Distance_constraint_stats_list.Viol_total 2.777
_Distance_constraint_stats_list.Viol_max 0.008
_Distance_constraint_stats_list.Viol_rms 0.0013
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0006
_Distance_constraint_stats_list.Viol_average_violations_only 0.0020
_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 0.015 0.008 3 0 "[ . 1 . 2]"
1 18 CYS 0.106 0.008 3 0 "[ . 1 . 2]"
1 31 HIS 0.080 0.006 4 0 "[ . 1 . 2]"
1 35 HIS 0.024 0.005 3 0 "[ . 1 . 2]"
2 1 ZN 0.052 0.005 3 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 2.305 2.192 2.389 . 0 0 "[ . 1 . 2]" 1
2 1 15 CYS CB 2 1 ZN ZN . 3.250 3.510 3.311 3.247 3.422 0.003 3 0 "[ . 1 . 2]" 1
3 1 18 CYS SG 2 1 ZN ZN . 2.190 2.390 2.197 2.186 2.225 0.004 3 0 "[ . 1 . 2]" 1
4 1 18 CYS CB 2 1 ZN ZN . 3.250 3.510 3.501 3.410 3.513 0.003 4 0 "[ . 1 . 2]" 1
5 1 31 HIS NE2 2 1 ZN ZN . . 2.100 2.062 1.957 2.102 0.002 6 0 "[ . 1 . 2]" 1
6 1 35 HIS NE2 2 1 ZN ZN . . 2.100 1.916 1.895 1.970 0.005 3 0 "[ . 1 . 2]" 1
7 1 15 CYS SG 1 18 CYS SG . 3.560 3.960 3.902 3.676 3.968 0.008 3 0 "[ . 1 . 2]" 1
8 1 15 CYS SG 1 31 HIS NE2 . 3.320 3.720 3.560 3.320 3.719 0.000 8 0 "[ . 1 . 2]" 1
9 1 15 CYS SG 1 35 HIS NE2 . 3.320 3.720 3.432 3.320 3.676 . 15 0 "[ . 1 . 2]" 1
10 1 18 CYS SG 1 31 HIS NE2 . 3.320 3.720 3.317 3.314 3.319 0.006 4 0 "[ . 1 . 2]" 1
11 1 18 CYS SG 1 35 HIS NE2 . 3.320 3.720 3.475 3.315 3.677 0.005 3 0 "[ . 1 . 2]" 1
12 1 31 HIS NE2 1 35 HIS NE2 . 3.000 3.600 3.017 2.998 3.264 0.002 4 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 761
_Distance_constraint_stats_list.Viol_count 729
_Distance_constraint_stats_list.Viol_total 300.962
_Distance_constraint_stats_list.Viol_max 0.243
_Distance_constraint_stats_list.Viol_rms 0.0075
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0010
_Distance_constraint_stats_list.Viol_average_violations_only 0.0206
_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 0.054 0.054 11 0 "[ . 1 . 2]"
1 8 THR 0.054 0.054 11 0 "[ . 1 . 2]"
1 9 ALA 2.742 0.208 17 0 "[ . 1 . 2]"
1 10 GLU 1.281 0.160 19 0 "[ . 1 . 2]"
1 11 LYS 3.798 0.208 17 0 "[ . 1 . 2]"
1 12 PRO 2.023 0.094 11 0 "[ . 1 . 2]"
1 13 PHE 1.056 0.056 6 0 "[ . 1 . 2]"
1 14 ARG 0.776 0.048 7 0 "[ . 1 . 2]"
1 15 CYS 0.263 0.025 19 0 "[ . 1 . 2]"
1 16 ASP 0.252 0.035 20 0 "[ . 1 . 2]"
1 17 THR 0.062 0.035 20 0 "[ . 1 . 2]"
1 18 CYS 0.481 0.027 8 0 "[ . 1 . 2]"
1 19 ASP 0.071 0.048 7 0 "[ . 1 . 2]"
1 20 LYS 0.508 0.075 19 0 "[ . 1 . 2]"
1 21 SER 1.047 0.075 19 0 "[ . 1 . 2]"
1 22 PHE 1.438 0.042 20 0 "[ . 1 . 2]"
1 23 ARG 0.784 0.072 8 0 "[ . 1 . 2]"
1 24 GLN 0.403 0.072 8 0 "[ . 1 . 2]"
1 25 ARG 0.204 0.030 7 0 "[ . 1 . 2]"
1 26 SER 0.764 0.057 19 0 "[ . 1 . 2]"
1 27 ALA 1.381 0.074 16 0 "[ . 1 . 2]"
1 28 LEU 4.054 0.074 16 0 "[ . 1 . 2]"
1 29 ASN 1.924 0.070 12 0 "[ . 1 . 2]"
1 30 SER 0.269 0.021 19 0 "[ . 1 . 2]"
1 31 HIS 0.296 0.026 3 0 "[ . 1 . 2]"
1 32 ARG 0.293 0.022 3 0 "[ . 1 . 2]"
1 33 MET 0.087 0.027 11 0 "[ . 1 . 2]"
1 34 ILE 0.916 0.055 3 0 "[ . 1 . 2]"
1 35 HIS 0.927 0.055 3 0 "[ . 1 . 2]"
1 36 THR 0.305 0.243 20 0 "[ . 1 . 2]"
1 37 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 GLU 0.188 0.129 14 0 "[ . 1 . 2]"
1 39 LYS 0.264 0.069 14 0 "[ . 1 . 2]"
1 40 PRO 0.206 0.069 14 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 38 GLU HA 1 39 LYS H . . 3.120 2.451 2.138 2.984 . 0 0 "[ . 1 . 2]" 2
2 1 39 LYS H 1 39 LYS QG . . 4.460 3.021 1.915 4.066 . 0 0 "[ . 1 . 2]" 2
3 1 38 GLU H 1 39 LYS H . . 4.770 3.965 2.720 4.633 . 0 0 "[ . 1 . 2]" 2
4 1 38 GLU HG2 1 39 LYS H . . 5.500 4.251 2.001 5.398 . 0 0 "[ . 1 . 2]" 2
5 1 38 GLU HG3 1 39 LYS H . . 5.500 4.227 2.690 5.558 0.058 9 0 "[ . 1 . 2]" 2
6 1 39 LYS H 1 39 LYS QD . . 4.570 3.949 2.256 4.561 . 0 0 "[ . 1 . 2]" 2
7 1 23 ARG H 1 24 GLN H . . 5.120 2.127 2.041 2.275 . 0 0 "[ . 1 . 2]" 2
8 1 22 PHE QD 1 24 GLN H . . 4.580 4.483 4.397 4.581 0.001 8 0 "[ . 1 . 2]" 2
9 1 13 PHE QD 1 24 GLN H . . 4.730 4.544 4.209 4.734 0.004 11 0 "[ . 1 . 2]" 2
10 1 22 PHE HB3 1 24 GLN H . . 3.320 2.895 2.740 3.024 . 0 0 "[ . 1 . 2]" 2
11 1 11 LYS QE 1 24 GLN H . . 5.500 5.257 5.156 5.319 . 0 0 "[ . 1 . 2]" 2
12 1 13 PHE HB2 1 24 GLN H . . 5.500 5.264 5.101 5.369 . 0 0 "[ . 1 . 2]" 2
13 1 24 GLN H 1 24 GLN QG . . 3.520 2.273 2.049 2.951 . 0 0 "[ . 1 . 2]" 2
14 1 24 GLN H 1 24 GLN HB3 . . 3.780 3.705 3.686 3.736 . 0 0 "[ . 1 . 2]" 2
15 1 24 GLN H 1 24 GLN HB2 . . 3.120 2.705 2.669 2.782 . 0 0 "[ . 1 . 2]" 2
16 1 24 GLN H 1 27 ALA MB . . 3.420 2.697 2.552 2.798 . 0 0 "[ . 1 . 2]" 2
17 1 35 HIS H 1 36 THR H . . 3.770 2.733 2.318 3.310 . 0 0 "[ . 1 . 2]" 2
18 1 35 HIS HB3 1 36 THR H . . 4.500 3.825 2.931 4.460 . 0 0 "[ . 1 . 2]" 2
19 1 36 THR H 1 36 THR MG . . 4.040 2.286 1.844 2.980 . 0 0 "[ . 1 . 2]" 2
20 1 31 HIS H 1 32 ARG H . . 3.130 2.672 2.619 2.714 . 0 0 "[ . 1 . 2]" 2
21 1 30 SER H 1 31 HIS H . . 3.150 2.283 2.199 2.332 . 0 0 "[ . 1 . 2]" 2
22 1 31 HIS H 1 31 HIS HB3 . . 2.850 2.315 2.261 2.357 . 0 0 "[ . 1 . 2]" 2
23 1 31 HIS H 1 31 HIS HB2 . . 2.980 2.770 2.718 2.842 . 0 0 "[ . 1 . 2]" 2
24 1 31 HIS H 1 32 ARG QG . . 4.200 4.158 4.067 4.207 0.007 11 0 "[ . 1 . 2]" 2
25 1 31 HIS H 1 32 ARG HB2 . . 5.020 4.887 4.789 4.956 . 0 0 "[ . 1 . 2]" 2
26 1 14 ARG QG 1 20 LYS H . . 4.160 3.574 3.400 3.853 . 0 0 "[ . 1 . 2]" 2
27 1 20 LYS H 1 20 LYS HB3 . . 3.620 3.520 3.466 3.557 . 0 0 "[ . 1 . 2]" 2
28 1 22 PHE QD 1 31 HIS H . . 5.500 5.426 5.354 5.490 . 0 0 "[ . 1 . 2]" 2
29 1 28 LEU H 1 31 HIS H . . 4.890 4.482 4.401 4.559 . 0 0 "[ . 1 . 2]" 2
30 1 22 PHE QE 1 31 HIS H . . 5.220 4.813 4.698 4.925 . 0 0 "[ . 1 . 2]" 2
31 1 30 SER QB 1 31 HIS H . . 3.200 2.707 2.623 2.800 . 0 0 "[ . 1 . 2]" 2
32 1 29 ASN QB 1 31 HIS H . . 5.200 4.817 4.764 4.856 . 0 0 "[ . 1 . 2]" 2
33 1 31 HIS H 1 33 MET HG3 . . 5.500 4.665 4.513 4.857 . 0 0 "[ . 1 . 2]" 2
34 1 27 ALA MB 1 31 HIS H . . 5.080 4.903 4.822 4.954 . 0 0 "[ . 1 . 2]" 2
35 1 28 LEU HB2 1 31 HIS H . . 5.450 5.274 5.213 5.304 . 0 0 "[ . 1 . 2]" 2
36 1 28 LEU MD1 1 31 HIS H . . 4.770 4.713 4.613 4.777 0.007 16 0 "[ . 1 . 2]" 2
37 1 17 THR H 1 18 CYS H . . 3.030 2.186 2.075 2.580 . 0 0 "[ . 1 . 2]" 2
38 1 16 ASP H 1 18 CYS H . . 5.090 5.090 5.032 5.102 0.012 13 0 "[ . 1 . 2]" 2
39 1 15 CYS H 1 18 CYS H . . 5.500 5.428 5.354 5.502 0.002 16 0 "[ . 1 . 2]" 2
40 1 18 CYS H 1 35 HIS HD2 . . 5.030 4.555 4.382 4.677 . 0 0 "[ . 1 . 2]" 2
41 1 16 ASP HA 1 18 CYS H . . 5.150 4.805 4.648 5.008 . 0 0 "[ . 1 . 2]" 2
42 1 18 CYS H 1 19 ASP HA . . 5.390 4.377 4.302 4.452 . 0 0 "[ . 1 . 2]" 2
43 1 15 CYS HA 1 18 CYS H . . 5.110 5.066 4.967 5.125 0.015 8 0 "[ . 1 . 2]" 2
44 1 15 CYS HB3 1 18 CYS H . . 3.360 3.307 3.205 3.375 0.015 3 0 "[ . 1 . 2]" 2
45 1 17 THR HB 1 18 CYS H . . 3.140 2.261 2.064 2.373 . 0 0 "[ . 1 . 2]" 2
46 1 17 THR MG 1 18 CYS H . . 3.740 3.397 3.217 3.524 . 0 0 "[ . 1 . 2]" 2
47 1 26 SER QB 1 28 LEU H . . 5.420 4.982 4.884 5.057 . 0 0 "[ . 1 . 2]" 2
48 1 28 LEU H 1 30 SER QB . . 5.500 4.826 4.788 4.898 . 0 0 "[ . 1 . 2]" 2
49 1 24 GLN H 1 28 LEU H . . 4.800 4.793 4.720 4.820 0.020 13 0 "[ . 1 . 2]" 2
50 1 22 PHE QD 1 28 LEU H . . 4.300 4.219 4.108 4.306 0.006 10 0 "[ . 1 . 2]" 2
51 1 27 ALA H 1 28 LEU H . . 3.110 2.377 2.336 2.406 . 0 0 "[ . 1 . 2]" 2
52 1 26 SER HA 1 28 LEU H . . 4.730 4.296 4.228 4.365 . 0 0 "[ . 1 . 2]" 2
53 1 22 PHE HB3 1 28 LEU H . . 4.170 3.870 3.670 3.990 . 0 0 "[ . 1 . 2]" 2
54 1 25 ARG HA 1 28 LEU H . . 3.530 3.424 3.313 3.534 0.004 19 0 "[ . 1 . 2]" 2
55 1 28 LEU H 1 29 ASN QB . . 4.460 4.144 4.102 4.218 . 0 0 "[ . 1 . 2]" 2
56 1 22 PHE HB2 1 28 LEU H . . 4.100 3.407 3.285 3.500 . 0 0 "[ . 1 . 2]" 2
57 1 28 LEU H 1 28 LEU HB3 . . 2.960 2.208 2.194 2.223 . 0 0 "[ . 1 . 2]" 2
58 1 27 ALA MB 1 28 LEU H . . 3.240 2.711 2.635 2.782 . 0 0 "[ . 1 . 2]" 2
59 1 28 LEU H 1 28 LEU HG . . 4.180 4.169 4.133 4.192 0.012 2 0 "[ . 1 . 2]" 2
60 1 28 LEU H 1 28 LEU HB2 . . 3.130 3.030 3.008 3.075 . 0 0 "[ . 1 . 2]" 2
61 1 11 LYS H 1 11 LYS HG3 . . 4.530 4.174 3.984 4.298 . 0 0 "[ . 1 . 2]" 2
62 1 28 LEU H 1 28 LEU MD2 . . 4.000 3.882 3.866 3.897 . 0 0 "[ . 1 . 2]" 2
63 1 10 GLU H 1 11 LYS H . . 4.570 2.825 2.504 3.007 . 0 0 "[ . 1 . 2]" 2
64 1 11 LYS H 1 21 SER HB2 . . 4.130 3.855 3.520 4.068 . 0 0 "[ . 1 . 2]" 2
65 1 11 LYS H 1 11 LYS HB2 . . 4.020 2.629 2.512 2.708 . 0 0 "[ . 1 . 2]" 2
66 1 11 LYS H 1 11 LYS HB3 . . 4.020 3.750 3.657 3.801 . 0 0 "[ . 1 . 2]" 2
67 1 9 ALA MB 1 11 LYS H . . 4.150 2.361 2.118 2.888 . 0 0 "[ . 1 . 2]" 2
68 1 11 LYS H 1 11 LYS HG2 . . 4.640 2.803 2.574 2.979 . 0 0 "[ . 1 . 2]" 2
69 1 29 ASN H 1 29 ASN HD22 . . 4.990 4.626 4.289 4.770 . 0 0 "[ . 1 . 2]" 2
70 1 26 SER HA 1 29 ASN HD21 . . 4.230 3.649 3.221 3.832 . 0 0 "[ . 1 . 2]" 2
71 1 26 SER HA 1 29 ASN HD22 . . 5.460 5.105 4.905 5.290 . 0 0 "[ . 1 . 2]" 2
72 1 29 ASN QB 1 29 ASN HD22 . . 3.640 3.214 3.213 3.220 . 0 0 "[ . 1 . 2]" 2
73 1 25 ARG HG2 1 29 ASN HD21 . . 4.570 2.501 1.898 2.825 . 0 0 "[ . 1 . 2]" 2
74 1 25 ARG HG2 1 29 ASN HD22 . . 4.370 2.311 2.132 2.552 . 0 0 "[ . 1 . 2]" 2
75 1 25 ARG HG3 1 29 ASN HD21 . . 4.780 4.074 3.490 4.467 . 0 0 "[ . 1 . 2]" 2
76 1 25 ARG HG3 1 29 ASN HD22 . . 4.590 3.289 2.862 3.612 . 0 0 "[ . 1 . 2]" 2
77 1 15 CYS HB3 1 17 THR H . . 4.730 3.482 3.408 3.546 . 0 0 "[ . 1 . 2]" 2
78 1 15 CYS HB2 1 17 THR H . . 4.860 4.489 4.217 4.587 . 0 0 "[ . 1 . 2]" 2
79 1 9 ALA HA 1 10 GLU H . . 3.560 2.180 2.142 2.277 . 0 0 "[ . 1 . 2]" 2
80 1 9 ALA MB 1 10 GLU H . . 4.400 3.114 2.779 3.410 . 0 0 "[ . 1 . 2]" 2
81 1 17 THR H 1 19 ASP H . . 4.470 2.607 2.510 3.055 . 0 0 "[ . 1 . 2]" 2
82 1 13 PHE H 1 22 PHE H . . 4.110 4.048 3.970 4.128 0.018 12 0 "[ . 1 . 2]" 2
83 1 13 PHE H 1 13 PHE QD . . 3.390 2.312 2.042 2.696 . 0 0 "[ . 1 . 2]" 2
84 1 18 CYS HA 1 19 ASP H . . 3.560 3.111 2.988 3.175 . 0 0 "[ . 1 . 2]" 2
85 1 19 ASP H 1 19 ASP HA . . 2.910 2.276 2.274 2.284 . 0 0 "[ . 1 . 2]" 2
86 1 11 LYS HA 1 13 PHE H . . 4.440 4.068 3.955 4.204 . 0 0 "[ . 1 . 2]" 2
87 1 13 PHE H 1 23 ARG HA . . 4.890 4.487 4.364 4.605 . 0 0 "[ . 1 . 2]" 2
88 1 12 PRO QD 1 13 PHE H . . 3.330 2.621 2.601 2.672 . 0 0 "[ . 1 . 2]" 2
89 1 17 THR HB 1 19 ASP H . . 4.550 4.350 4.160 4.464 . 0 0 "[ . 1 . 2]" 2
90 1 13 PHE H 1 13 PHE HB2 . . 3.120 2.663 2.620 2.699 . 0 0 "[ . 1 . 2]" 2
91 1 13 PHE H 1 22 PHE HB2 . . 5.360 5.344 5.268 5.379 0.019 19 0 "[ . 1 . 2]" 2
92 1 12 PRO HB2 1 13 PHE H . . 3.940 3.456 3.305 3.630 . 0 0 "[ . 1 . 2]" 2
93 1 14 ARG QG 1 19 ASP H . . 5.500 4.897 4.753 5.094 . 0 0 "[ . 1 . 2]" 2
94 1 19 ASP H 1 20 LYS HB2 . . 5.010 4.554 4.476 4.702 . 0 0 "[ . 1 . 2]" 2
95 1 27 ALA HA 1 29 ASN H . . 5.270 4.967 4.881 5.019 . 0 0 "[ . 1 . 2]" 2
96 1 29 ASN H 1 29 ASN HD21 . . 4.470 4.138 3.368 4.309 . 0 0 "[ . 1 . 2]" 2
97 1 29 ASN H 1 31 HIS H . . 4.790 4.214 4.100 4.283 . 0 0 "[ . 1 . 2]" 2
98 1 28 LEU H 1 29 ASN H . . 3.030 2.429 2.389 2.471 . 0 0 "[ . 1 . 2]" 2
99 1 27 ALA H 1 29 ASN H . . 4.150 3.999 3.937 4.066 . 0 0 "[ . 1 . 2]" 2
100 1 29 ASN H 1 30 SER QB . . 4.680 4.589 4.526 4.652 . 0 0 "[ . 1 . 2]" 2
101 1 25 ARG HA 1 29 ASN H . . 3.920 3.727 3.595 3.900 . 0 0 "[ . 1 . 2]" 2
102 1 29 ASN H 1 29 ASN QB . . 2.780 2.249 2.209 2.346 . 0 0 "[ . 1 . 2]" 2
103 1 29 ASN H 1 32 ARG QG . . 4.890 4.517 4.356 4.737 . 0 0 "[ . 1 . 2]" 2
104 1 28 LEU HB3 1 29 ASN H . . 3.130 2.622 2.600 2.661 . 0 0 "[ . 1 . 2]" 2
105 1 27 ALA MB 1 29 ASN H . . 4.780 4.715 4.674 4.757 . 0 0 "[ . 1 . 2]" 2
106 1 28 LEU HG 1 29 ASN H . . 3.750 3.101 3.004 3.218 . 0 0 "[ . 1 . 2]" 2
107 1 25 ARG HG2 1 29 ASN H . . 4.620 4.033 3.691 4.304 . 0 0 "[ . 1 . 2]" 2
108 1 28 LEU MD2 1 29 ASN H . . 3.690 3.410 3.355 3.499 . 0 0 "[ . 1 . 2]" 2
109 1 16 ASP H 1 17 THR H . . 4.230 3.167 2.667 3.272 . 0 0 "[ . 1 . 2]" 2
110 1 16 ASP H 1 19 ASP H . . 5.500 5.313 4.884 5.499 . 0 0 "[ . 1 . 2]" 2
111 1 16 ASP H 1 16 ASP QB . . 3.880 2.370 2.165 2.613 . 0 0 "[ . 1 . 2]" 2
112 1 16 ASP H 1 28 LEU MD1 . . 4.680 4.040 3.797 4.222 . 0 0 "[ . 1 . 2]" 2
113 1 34 ILE H 1 35 HIS H . . 3.020 2.785 2.739 2.874 . 0 0 "[ . 1 . 2]" 2
114 1 35 HIS H 1 35 HIS HD2 . . 3.890 3.664 3.545 3.725 . 0 0 "[ . 1 . 2]" 2
115 1 35 HIS H 1 36 THR MG . . 4.530 3.494 3.171 3.812 . 0 0 "[ . 1 . 2]" 2
116 1 34 ILE MG 1 35 HIS H . . 3.780 3.609 3.561 3.653 . 0 0 "[ . 1 . 2]" 2
117 1 33 MET HA 1 35 HIS H . . 4.050 3.816 3.696 3.967 . 0 0 "[ . 1 . 2]" 2
118 1 32 ARG HA 1 35 HIS H . . 3.830 3.616 3.534 3.722 . 0 0 "[ . 1 . 2]" 2
119 1 32 ARG HB3 1 35 HIS H . . 5.500 5.074 4.975 5.210 . 0 0 "[ . 1 . 2]" 2
120 1 33 MET HB2 1 35 HIS H . . 5.500 4.801 4.743 4.926 . 0 0 "[ . 1 . 2]" 2
121 1 33 MET HB3 1 35 HIS H . . 5.500 5.165 5.042 5.323 . 0 0 "[ . 1 . 2]" 2
122 1 34 ILE HG12 1 35 HIS H . . 4.090 2.154 2.031 2.281 . 0 0 "[ . 1 . 2]" 2
123 1 34 ILE HG13 1 35 HIS H . . 4.070 3.229 3.100 3.303 . 0 0 "[ . 1 . 2]" 2
124 1 34 ILE MD 1 35 HIS H . . 4.710 3.858 3.757 3.966 . 0 0 "[ . 1 . 2]" 2
125 1 21 SER H 1 22 PHE H . . 4.660 4.306 4.295 4.323 . 0 0 "[ . 1 . 2]" 2
126 1 22 PHE H 1 22 PHE QD . . 3.110 2.445 2.388 2.539 . 0 0 "[ . 1 . 2]" 2
127 1 13 PHE QD 1 22 PHE H . . 4.600 4.058 3.951 4.193 . 0 0 "[ . 1 . 2]" 2
128 1 21 SER HA 1 22 PHE H . . 2.800 2.246 2.235 2.276 . 0 0 "[ . 1 . 2]" 2
129 1 22 PHE H 1 23 ARG HA . . 5.030 4.864 4.810 4.905 . 0 0 "[ . 1 . 2]" 2
130 1 21 SER HB2 1 22 PHE H . . 3.120 2.873 2.779 2.912 . 0 0 "[ . 1 . 2]" 2
131 1 13 PHE HB3 1 22 PHE H . . 4.230 3.639 3.533 3.714 . 0 0 "[ . 1 . 2]" 2
132 1 13 PHE HB2 1 22 PHE H . . 3.790 2.409 2.288 2.522 . 0 0 "[ . 1 . 2]" 2
133 1 22 PHE H 1 22 PHE HB2 . . 3.320 2.730 2.705 2.799 . 0 0 "[ . 1 . 2]" 2
134 1 22 PHE H 1 28 LEU HB3 . . 5.070 4.925 4.828 5.014 . 0 0 "[ . 1 . 2]" 2
135 1 11 LYS HB2 1 22 PHE H . . 4.280 3.616 3.487 3.737 . 0 0 "[ . 1 . 2]" 2
136 1 11 LYS HB3 1 22 PHE H . . 4.280 4.047 3.904 4.207 . 0 0 "[ . 1 . 2]" 2
137 1 22 PHE H 1 28 LEU HB2 . . 4.320 3.667 3.613 3.724 . 0 0 "[ . 1 . 2]" 2
138 1 22 PHE H 1 28 LEU MD1 . . 4.240 3.734 3.572 3.943 . 0 0 "[ . 1 . 2]" 2
139 1 32 ARG H 1 34 ILE H . . 4.870 4.512 4.453 4.589 . 0 0 "[ . 1 . 2]" 2
140 1 33 MET HG2 1 34 ILE H . . 4.920 4.798 4.733 4.902 . 0 0 "[ . 1 . 2]" 2
141 1 33 MET HB2 1 34 ILE H . . 3.630 2.522 2.432 2.621 . 0 0 "[ . 1 . 2]" 2
142 1 34 ILE H 1 34 ILE HB . . 3.560 3.546 3.541 3.558 . 0 0 "[ . 1 . 2]" 2
143 1 34 ILE H 1 34 ILE HG12 . . 3.430 2.834 2.746 2.907 . 0 0 "[ . 1 . 2]" 2
144 1 34 ILE H 1 34 ILE MD . . 3.610 3.516 3.471 3.578 . 0 0 "[ . 1 . 2]" 2
145 1 15 CYS H 1 20 LYS H . . 4.040 2.917 2.745 3.151 . 0 0 "[ . 1 . 2]" 2
146 1 15 CYS H 1 22 PHE QD . . 4.560 4.135 4.044 4.283 . 0 0 "[ . 1 . 2]" 2
147 1 15 CYS H 1 31 HIS HD2 . . 5.300 5.079 4.705 5.209 . 0 0 "[ . 1 . 2]" 2
148 1 15 CYS H 1 21 SER HA . . 3.580 3.083 2.981 3.197 . 0 0 "[ . 1 . 2]" 2
149 1 15 CYS H 1 19 ASP HA . . 4.660 4.540 4.299 4.665 0.005 14 0 "[ . 1 . 2]" 2
150 1 15 CYS H 1 21 SER HB3 . . 4.400 4.268 4.186 4.411 0.011 11 0 "[ . 1 . 2]" 2
151 1 15 CYS H 1 15 CYS HB3 . . 3.080 2.456 2.406 2.493 . 0 0 "[ . 1 . 2]" 2
152 1 15 CYS H 1 15 CYS HB2 . . 3.100 2.766 2.728 2.820 . 0 0 "[ . 1 . 2]" 2
153 1 14 ARG QG 1 15 CYS H . . 3.650 2.490 2.385 2.615 . 0 0 "[ . 1 . 2]" 2
154 1 15 CYS H 1 20 LYS HB3 . . 4.800 3.934 3.778 4.010 . 0 0 "[ . 1 . 2]" 2
155 1 15 CYS H 1 28 LEU MD1 . . 3.730 3.107 3.010 3.180 . 0 0 "[ . 1 . 2]" 2
156 1 32 ARG H 1 33 MET H . . 3.220 2.645 2.610 2.692 . 0 0 "[ . 1 . 2]" 2
157 1 33 MET H 1 34 ILE H . . 3.160 2.679 2.619 2.723 . 0 0 "[ . 1 . 2]" 2
158 1 31 HIS H 1 33 MET H . . 4.400 4.042 3.988 4.111 . 0 0 "[ . 1 . 2]" 2
159 1 31 HIS HB3 1 33 MET H . . 5.110 4.922 4.820 5.000 . 0 0 "[ . 1 . 2]" 2
160 1 33 MET H 1 33 MET HG3 . . 3.220 2.295 2.022 2.480 . 0 0 "[ . 1 . 2]" 2
161 1 33 MET H 1 33 MET HG2 . . 3.380 3.080 2.904 3.285 . 0 0 "[ . 1 . 2]" 2
162 1 33 MET H 1 33 MET HB2 . . 2.770 2.521 2.468 2.593 . 0 0 "[ . 1 . 2]" 2
163 1 33 MET H 1 34 ILE HG12 . . 4.790 4.621 4.539 4.671 . 0 0 "[ . 1 . 2]" 2
164 1 33 MET H 1 34 ILE MG . . 4.440 3.630 3.564 3.682 . 0 0 "[ . 1 . 2]" 2
165 1 30 SER H 1 32 ARG H . . 4.250 3.904 3.854 3.997 . 0 0 "[ . 1 . 2]" 2
166 1 31 HIS HD2 1 32 ARG H . . 3.870 3.532 3.464 3.565 . 0 0 "[ . 1 . 2]" 2
167 1 32 ARG H 1 33 MET HG3 . . 4.370 4.168 3.938 4.371 0.001 11 0 "[ . 1 . 2]" 2
168 1 28 LEU HG 1 32 ARG H . . 4.640 4.060 3.939 4.200 . 0 0 "[ . 1 . 2]" 2
169 1 29 ASN HA 1 32 ARG H . . 4.200 3.955 3.922 3.992 . 0 0 "[ . 1 . 2]" 2
170 1 30 SER QB 1 32 ARG H . . 5.140 4.765 4.685 4.843 . 0 0 "[ . 1 . 2]" 2
171 1 32 ARG H 1 32 ARG HD3 . . 4.860 4.527 4.340 4.792 . 0 0 "[ . 1 . 2]" 2
172 1 31 HIS HB3 1 32 ARG H . . 3.320 2.767 2.670 2.849 . 0 0 "[ . 1 . 2]" 2
173 1 32 ARG H 1 32 ARG QG . . 2.960 2.206 2.048 2.313 . 0 0 "[ . 1 . 2]" 2
174 1 32 ARG H 1 32 ARG HB2 . . 3.150 2.523 2.464 2.602 . 0 0 "[ . 1 . 2]" 2
175 1 28 LEU MD1 1 32 ARG H . . 4.010 3.885 3.663 4.019 0.009 6 0 "[ . 1 . 2]" 2
176 1 13 PHE H 1 14 ARG H . . 4.560 4.526 4.487 4.554 . 0 0 "[ . 1 . 2]" 2
177 1 14 ARG H 1 21 SER HA . . 4.590 4.390 4.332 4.445 . 0 0 "[ . 1 . 2]" 2
178 1 13 PHE HB3 1 14 ARG H . . 3.770 3.090 2.928 3.261 . 0 0 "[ . 1 . 2]" 2
179 1 13 PHE HB2 1 14 ARG H . . 4.150 3.923 3.851 4.016 . 0 0 "[ . 1 . 2]" 2
180 1 14 ARG H 1 14 ARG HB2 . . 3.560 3.248 3.152 3.328 . 0 0 "[ . 1 . 2]" 2
181 1 14 ARG H 1 14 ARG HB3 . . 3.310 2.982 2.926 3.091 . 0 0 "[ . 1 . 2]" 2
182 1 14 ARG H 1 14 ARG QG . . 4.290 4.195 4.161 4.226 . 0 0 "[ . 1 . 2]" 2
183 1 14 ARG H 1 28 LEU MD2 . . 3.720 2.336 2.206 2.492 . 0 0 "[ . 1 . 2]" 2
184 1 14 ARG H 1 15 CYS H . . 4.610 4.256 4.226 4.281 . 0 0 "[ . 1 . 2]" 2
185 1 14 ARG H 1 21 SER HB3 . . 5.500 5.455 5.368 5.509 0.009 3 0 "[ . 1 . 2]" 2
186 1 24 GLN H 1 27 ALA H . . 4.570 4.078 4.015 4.143 . 0 0 "[ . 1 . 2]" 2
187 1 26 SER QB 1 27 ALA H . . 3.860 3.085 2.991 3.186 . 0 0 "[ . 1 . 2]" 2
188 1 22 PHE HB3 1 27 ALA H . . 5.020 4.518 4.337 4.693 . 0 0 "[ . 1 . 2]" 2
189 1 24 GLN HB3 1 27 ALA H . . 3.710 3.518 3.366 3.726 0.016 13 0 "[ . 1 . 2]" 2
190 1 24 GLN HB2 1 27 ALA H . . 3.350 2.566 2.482 2.651 . 0 0 "[ . 1 . 2]" 2
191 1 27 ALA H 1 27 ALA MB . . 2.950 2.216 2.104 2.288 . 0 0 "[ . 1 . 2]" 2
192 1 25 ARG HG2 1 27 ALA H . . 5.500 5.420 5.313 5.513 0.013 19 0 "[ . 1 . 2]" 2
193 1 27 ALA H 1 28 LEU HB2 . . 5.500 5.239 5.186 5.283 . 0 0 "[ . 1 . 2]" 2
194 1 28 LEU HB2 1 30 SER H . . 5.500 5.513 5.504 5.521 0.021 19 0 "[ . 1 . 2]" 2
195 1 27 ALA H 1 28 LEU MD2 . . 5.500 5.566 5.554 5.574 0.074 16 0 "[ . 1 . 2]" 2
196 1 25 ARG HA 1 27 ALA H . . 4.590 3.840 3.771 3.904 . 0 0 "[ . 1 . 2]" 2
197 1 20 LYS H 1 21 SER H . . 4.560 4.472 4.446 4.508 . 0 0 "[ . 1 . 2]" 2
198 1 21 SER H 1 22 PHE QE . . 4.930 3.732 3.413 3.857 . 0 0 "[ . 1 . 2]" 2
199 1 20 LYS HA 1 21 SER H . . 2.760 2.557 2.518 2.626 . 0 0 "[ . 1 . 2]" 2
200 1 20 LYS QD 1 21 SER H . . 3.670 3.559 2.282 3.745 0.075 19 0 "[ . 1 . 2]" 2
201 1 20 LYS HB2 1 21 SER H . . 3.880 3.653 3.535 3.743 . 0 0 "[ . 1 . 2]" 2
202 1 20 LYS HB3 1 21 SER H . . 3.380 2.169 2.017 2.282 . 0 0 "[ . 1 . 2]" 2
203 1 29 ASN H 1 30 SER H . . 3.260 2.755 2.699 2.786 . 0 0 "[ . 1 . 2]" 2
204 1 28 LEU H 1 30 SER H . . 4.380 3.746 3.687 3.782 . 0 0 "[ . 1 . 2]" 2
205 1 30 SER H 1 30 SER QB . . 2.900 2.263 2.194 2.353 . 0 0 "[ . 1 . 2]" 2
206 1 29 ASN QB 1 30 SER H . . 3.150 2.917 2.894 2.955 . 0 0 "[ . 1 . 2]" 2
207 1 28 LEU HB3 1 30 SER H . . 5.090 4.838 4.819 4.855 . 0 0 "[ . 1 . 2]" 2
208 1 27 ALA MB 1 30 SER H . . 5.130 4.892 4.849 4.920 . 0 0 "[ . 1 . 2]" 2
209 1 28 LEU MD1 1 30 SER H . . 5.500 5.351 5.294 5.396 . 0 0 "[ . 1 . 2]" 2
210 1 28 LEU MD2 1 30 SER H . . 5.500 5.466 5.438 5.492 . 0 0 "[ . 1 . 2]" 2
211 1 27 ALA H 1 30 SER H . . 4.790 4.748 4.696 4.799 0.009 3 0 "[ . 1 . 2]" 2
212 1 30 SER H 1 31 HIS HB3 . . 4.520 4.260 4.175 4.325 . 0 0 "[ . 1 . 2]" 2
213 1 18 CYS HA 1 35 HIS HE1 . . 5.430 5.314 5.217 5.433 0.003 4 0 "[ . 1 . 2]" 2
214 1 17 THR HB 1 35 HIS HE1 . . 4.830 4.279 4.074 4.685 . 0 0 "[ . 1 . 2]" 2
215 1 34 ILE MG 1 35 HIS HE1 . . 5.500 5.506 5.495 5.522 0.022 4 0 "[ . 1 . 2]" 2
216 1 18 CYS HB2 1 35 HIS HE1 . . 4.300 4.253 4.019 4.308 0.008 12 0 "[ . 1 . 2]" 2
217 1 18 CYS HB3 1 35 HIS HE1 . . 3.220 2.952 2.826 3.053 . 0 0 "[ . 1 . 2]" 2
218 1 34 ILE MD 1 35 HIS HE1 . . 3.590 2.868 2.838 2.909 . 0 0 "[ . 1 . 2]" 2
219 1 11 LYS HG3 1 23 ARG HA . . 4.340 3.305 2.377 3.643 . 0 0 "[ . 1 . 2]" 2
220 1 11 LYS HA 1 11 LYS HG2 . . 3.850 3.303 3.218 3.398 . 0 0 "[ . 1 . 2]" 2
221 1 10 GLU HA 1 11 LYS HG2 . . 5.500 5.029 4.685 5.438 . 0 0 "[ . 1 . 2]" 2
222 1 11 LYS HG3 1 12 PRO QD . . 4.460 3.955 3.715 4.078 . 0 0 "[ . 1 . 2]" 2
223 1 11 LYS HG3 1 21 SER HB2 . . 4.790 3.680 3.464 4.306 . 0 0 "[ . 1 . 2]" 2
224 1 11 LYS HG2 1 12 PRO QD . . 4.850 4.387 4.312 4.434 . 0 0 "[ . 1 . 2]" 2
225 1 11 LYS HG2 1 21 SER HB2 . . 5.020 3.511 3.236 3.831 . 0 0 "[ . 1 . 2]" 2
226 1 11 LYS HG3 1 23 ARG HG2 . . 4.240 3.003 2.451 4.257 0.017 17 0 "[ . 1 . 2]" 2
227 1 22 PHE HZ 1 31 HIS HE1 . . 4.620 3.598 3.427 3.729 . 0 0 "[ . 1 . 2]" 2
228 1 20 LYS QE 1 31 HIS HE1 . . 4.720 3.566 2.492 4.584 . 0 0 "[ . 1 . 2]" 2
229 1 18 CYS HB3 1 31 HIS HE1 . . 5.250 5.093 4.916 5.248 . 0 0 "[ . 1 . 2]" 2
230 1 20 LYS QD 1 31 HIS HE1 . . 3.320 2.448 2.195 3.346 0.026 3 0 "[ . 1 . 2]" 2
231 1 20 LYS HB3 1 31 HIS HE1 . . 5.230 4.915 4.158 5.100 . 0 0 "[ . 1 . 2]" 2
232 1 31 HIS HE1 1 34 ILE HG12 . . 4.750 4.726 4.580 4.774 0.024 3 0 "[ . 1 . 2]" 2
233 1 8 THR HB 1 9 ALA H . . 5.110 3.520 2.274 4.402 . 0 0 "[ . 1 . 2]" 2
234 1 17 THR H 1 17 THR HB . . 3.350 2.834 2.765 2.899 . 0 0 "[ . 1 . 2]" 2
235 1 17 THR HB 1 35 HIS HD2 . . 3.770 2.833 2.659 2.938 . 0 0 "[ . 1 . 2]" 2
236 1 17 THR HB 1 18 CYS HB3 . . 4.390 3.811 3.711 3.927 . 0 0 "[ . 1 . 2]" 2
237 1 14 ARG H 1 28 LEU MD1 . . 4.910 2.943 2.735 3.177 . 0 0 "[ . 1 . 2]" 2
238 1 28 LEU MD1 1 31 HIS HD2 . . 3.190 3.008 2.656 3.180 . 0 0 "[ . 1 . 2]" 2
239 1 22 PHE QE 1 28 LEU MD1 . . 3.420 2.987 2.762 3.197 . 0 0 "[ . 1 . 2]" 2
240 1 15 CYS HA 1 28 LEU MD1 . . 3.100 2.432 2.260 2.576 . 0 0 "[ . 1 . 2]" 2
241 1 28 LEU MD1 1 29 ASN HA . . 4.570 4.502 4.413 4.577 0.007 12 0 "[ . 1 . 2]" 2
242 1 15 CYS HB2 1 28 LEU MD1 . . 3.310 2.465 2.321 2.538 . 0 0 "[ . 1 . 2]" 2
243 1 28 LEU MD1 1 32 ARG QG . . 3.270 2.381 2.219 2.464 . 0 0 "[ . 1 . 2]" 2
244 1 28 LEU HB3 1 28 LEU MD1 . . 3.420 3.115 3.099 3.127 . 0 0 "[ . 1 . 2]" 2
245 1 7 GLY QA 1 8 THR MG . . 4.640 3.657 3.079 4.694 0.054 11 0 "[ . 1 . 2]" 2
246 1 34 ILE HA 1 36 THR MG . . 5.500 5.129 4.393 5.517 0.017 4 0 "[ . 1 . 2]" 2
247 1 32 ARG HB3 1 36 THR MG . . 4.810 4.075 3.533 4.814 0.004 10 0 "[ . 1 . 2]" 2
248 1 33 MET HB3 1 36 THR MG . . 5.380 3.938 3.082 4.937 . 0 0 "[ . 1 . 2]" 2
249 1 36 THR HA 1 36 THR MG . . 2.910 2.460 2.339 3.153 0.243 20 0 "[ . 1 . 2]" 2
250 1 35 HIS HB3 1 36 THR MG . . 4.700 4.339 3.617 4.707 0.007 8 0 "[ . 1 . 2]" 2
251 1 17 THR H 1 17 THR MG . . 4.020 3.933 3.810 3.956 . 0 0 "[ . 1 . 2]" 2
252 1 22 PHE H 1 22 PHE HB3 . . 3.880 3.829 3.815 3.870 . 0 0 "[ . 1 . 2]" 2
253 1 22 PHE HB2 1 24 GLN H . . 3.980 3.887 3.664 3.983 0.003 4 0 "[ . 1 . 2]" 2
254 1 21 SER HA 1 22 PHE HB2 . . 4.680 4.524 4.499 4.549 . 0 0 "[ . 1 . 2]" 2
255 1 17 THR MG 1 18 CYS HA . . 4.420 3.902 3.675 4.116 . 0 0 "[ . 1 . 2]" 2
256 1 22 PHE HB3 1 23 ARG HA . . 5.090 4.632 4.575 4.738 . 0 0 "[ . 1 . 2]" 2
257 1 17 THR MG 1 35 HIS HB2 . . 3.650 3.159 2.740 3.397 . 0 0 "[ . 1 . 2]" 2
258 1 13 PHE HB2 1 22 PHE HB3 . . 4.380 4.310 4.184 4.356 . 0 0 "[ . 1 . 2]" 2
259 1 13 PHE HB2 1 22 PHE HB2 . . 3.600 2.848 2.744 2.899 . 0 0 "[ . 1 . 2]" 2
260 1 17 THR MG 1 18 CYS HB3 . . 3.890 3.454 3.207 3.723 . 0 0 "[ . 1 . 2]" 2
261 1 22 PHE HB2 1 28 LEU HB3 . . 4.190 3.130 2.963 3.220 . 0 0 "[ . 1 . 2]" 2
262 1 22 PHE HB2 1 27 ALA MB . . 3.640 3.062 2.921 3.269 . 0 0 "[ . 1 . 2]" 2
263 1 22 PHE HB3 1 28 LEU HB2 . . 4.060 3.764 3.579 3.868 . 0 0 "[ . 1 . 2]" 2
264 1 22 PHE HB2 1 28 LEU MD1 . . 4.290 3.732 3.576 3.872 . 0 0 "[ . 1 . 2]" 2
265 1 13 PHE HB3 1 22 PHE HB3 . . 5.250 5.194 4.974 5.273 0.023 14 0 "[ . 1 . 2]" 2
266 1 22 PHE HB2 1 28 LEU HB2 . . 3.830 2.244 2.084 2.329 . 0 0 "[ . 1 . 2]" 2
267 1 32 ARG H 1 32 ARG HD2 . . 4.860 4.682 4.017 4.816 . 0 0 "[ . 1 . 2]" 2
268 1 32 ARG HB3 1 32 ARG HD2 . . 3.900 3.061 2.312 3.661 . 0 0 "[ . 1 . 2]" 2
269 1 28 LEU HG 1 32 ARG HD2 . . 4.880 3.623 2.719 4.504 . 0 0 "[ . 1 . 2]" 2
270 1 28 LEU MD1 1 32 ARG HD2 . . 4.100 3.147 2.293 4.064 . 0 0 "[ . 1 . 2]" 2
271 1 28 LEU MD1 1 32 ARG HD3 . . 4.100 3.255 2.234 4.092 . 0 0 "[ . 1 . 2]" 2
272 1 28 LEU MD2 1 32 ARG HD3 . . 4.700 3.628 2.716 4.624 . 0 0 "[ . 1 . 2]" 2
273 1 23 ARG HB2 1 23 ARG QD . . 3.390 2.686 2.146 3.300 . 0 0 "[ . 1 . 2]" 2
274 1 11 LYS HD3 1 23 ARG QD . . 4.720 3.621 2.668 4.478 . 0 0 "[ . 1 . 2]" 2
275 1 28 LEU HG 1 32 ARG HD3 . . 4.880 3.405 2.411 4.463 . 0 0 "[ . 1 . 2]" 2
276 1 23 ARG HA 1 23 ARG QD . . 4.400 3.764 2.555 4.255 . 0 0 "[ . 1 . 2]" 2
277 1 23 ARG HB3 1 23 ARG QD . . 3.390 2.468 2.074 3.383 . 0 0 "[ . 1 . 2]" 2
278 1 11 LYS HG2 1 23 ARG QD . . 5.500 5.202 4.622 5.525 0.025 11 0 "[ . 1 . 2]" 2
279 1 11 LYS HG3 1 23 ARG QD . . 4.640 4.133 3.303 4.516 . 0 0 "[ . 1 . 2]" 2
280 1 14 ARG HD2 1 15 CYS H . . 5.280 5.039 4.753 5.301 0.021 7 0 "[ . 1 . 2]" 2
281 1 14 ARG HD3 1 15 CYS H . . 5.280 5.151 4.910 5.305 0.025 19 0 "[ . 1 . 2]" 2
282 1 13 PHE H 1 21 SER HB2 . . 5.000 4.763 4.613 4.944 . 0 0 "[ . 1 . 2]" 2
283 1 21 SER H 1 21 SER HB3 . . 3.670 3.560 3.525 3.594 . 0 0 "[ . 1 . 2]" 2
284 1 21 SER HB3 1 22 PHE QD . . 5.450 4.956 4.891 5.020 . 0 0 "[ . 1 . 2]" 2
285 1 14 ARG HD2 1 19 ASP HA . . 5.500 4.559 3.745 5.548 0.048 7 0 "[ . 1 . 2]" 2
286 1 14 ARG HD3 1 19 ASP HA . . 5.500 5.173 4.028 5.503 0.003 15 0 "[ . 1 . 2]" 2
287 1 11 LYS QE 1 21 SER HB2 . . 5.500 5.217 5.010 5.545 0.045 11 0 "[ . 1 . 2]" 2
288 1 13 PHE HB2 1 21 SER HB2 . . 5.500 4.668 4.492 4.780 . 0 0 "[ . 1 . 2]" 2
289 1 21 SER HB2 1 22 PHE HB2 . . 5.500 5.524 5.485 5.542 0.042 20 0 "[ . 1 . 2]" 2
290 1 14 ARG HB2 1 14 ARG HD2 . . 3.800 3.284 2.457 3.787 . 0 0 "[ . 1 . 2]" 2
291 1 14 ARG HB2 1 14 ARG HD3 . . 3.800 2.889 2.520 3.755 . 0 0 "[ . 1 . 2]" 2
292 1 14 ARG HB3 1 14 ARG HD2 . . 3.790 3.293 2.404 3.687 . 0 0 "[ . 1 . 2]" 2
293 1 14 ARG HB3 1 14 ARG HD3 . . 3.790 2.842 2.162 3.686 . 0 0 "[ . 1 . 2]" 2
294 1 14 ARG QG 1 21 SER HB3 . . 3.500 2.639 2.351 2.926 . 0 0 "[ . 1 . 2]" 2
295 1 20 LYS HB3 1 21 SER HB3 . . 5.420 5.233 5.192 5.293 . 0 0 "[ . 1 . 2]" 2
296 1 13 PHE QE 1 25 ARG HD2 . . 4.680 3.323 2.311 4.065 . 0 0 "[ . 1 . 2]" 2
297 1 13 PHE QE 1 25 ARG HD3 . . 4.680 3.387 2.549 4.199 . 0 0 "[ . 1 . 2]" 2
298 1 20 LYS QE 1 22 PHE QE . . 4.980 4.774 3.571 4.993 0.013 17 0 "[ . 1 . 2]" 2
299 1 20 LYS QE 1 22 PHE HZ . . 4.830 4.452 3.479 4.849 0.019 3 0 "[ . 1 . 2]" 2
300 1 39 LYS QE 1 39 LYS QG . . 3.410 2.266 2.066 2.624 . 0 0 "[ . 1 . 2]" 2
301 1 22 PHE H 1 27 ALA MB . . 5.500 5.335 5.232 5.464 . 0 0 "[ . 1 . 2]" 2
302 1 22 PHE QE 1 27 ALA MB . . 4.140 3.549 3.414 3.689 . 0 0 "[ . 1 . 2]" 2
303 1 17 THR HA 1 18 CYS HA . . 5.100 4.552 4.549 4.558 . 0 0 "[ . 1 . 2]" 2
304 1 16 ASP HA 1 17 THR HA . . 4.600 4.419 4.398 4.635 0.035 20 0 "[ . 1 . 2]" 2
305 1 11 LYS HA 1 11 LYS QE . . 4.870 1.956 1.907 1.984 . 0 0 "[ . 1 . 2]" 2
306 1 11 LYS QE 1 23 ARG HA . . 5.360 2.005 1.977 2.141 . 0 0 "[ . 1 . 2]" 2
307 1 9 ALA MB 1 11 LYS HA . . 4.840 4.526 4.484 4.610 . 0 0 "[ . 1 . 2]" 2
308 1 26 SER QB 1 27 ALA MB . . 4.220 4.006 3.902 4.164 . 0 0 "[ . 1 . 2]" 2
309 1 9 ALA MB 1 12 PRO QD . . 5.200 5.094 4.876 5.228 0.028 7 0 "[ . 1 . 2]" 2
310 1 22 PHE HB3 1 27 ALA MB . . 3.290 2.113 1.963 2.401 . 0 0 "[ . 1 . 2]" 2
311 1 27 ALA MB 1 28 LEU HA . . 4.460 3.861 3.790 3.917 . 0 0 "[ . 1 . 2]" 2
312 1 27 ALA MB 1 31 HIS HB2 . . 4.970 4.756 4.591 4.893 . 0 0 "[ . 1 . 2]" 2
313 1 9 ALA MB 1 11 LYS QE . . 5.500 5.579 5.516 5.708 0.208 17 0 "[ . 1 . 2]" 2
314 1 24 GLN QG 1 27 ALA MB . . 4.000 3.190 2.969 3.663 . 0 0 "[ . 1 . 2]" 2
315 1 24 GLN HB3 1 27 ALA MB . . 3.920 3.602 3.472 3.820 . 0 0 "[ . 1 . 2]" 2
316 1 9 ALA MB 1 10 GLU HB2 . . 5.500 5.084 4.650 5.526 0.026 6 0 "[ . 1 . 2]" 2
317 1 24 GLN HB2 1 27 ALA MB . . 3.340 2.044 1.960 2.272 . 0 0 "[ . 1 . 2]" 2
318 1 11 LYS QE 1 23 ARG HG2 . . 5.020 2.341 1.978 3.364 . 0 0 "[ . 1 . 2]" 2
319 1 11 LYS QE 1 11 LYS HG2 . . 3.450 3.296 3.279 3.304 . 0 0 "[ . 1 . 2]" 2
320 1 27 ALA MB 1 28 LEU HB2 . . 4.800 4.107 4.057 4.231 . 0 0 "[ . 1 . 2]" 2
321 1 11 LYS QE 1 11 LYS HG3 . . 3.470 2.406 2.295 2.521 . 0 0 "[ . 1 . 2]" 2
322 1 27 ALA MB 1 28 LEU MD1 . . 5.500 5.175 5.140 5.243 . 0 0 "[ . 1 . 2]" 2
323 1 27 ALA MB 1 28 LEU MD2 . . 5.500 5.288 5.247 5.316 . 0 0 "[ . 1 . 2]" 2
324 1 17 THR HA 1 17 THR MG . . 2.890 2.271 2.097 2.378 . 0 0 "[ . 1 . 2]" 2
325 1 16 ASP QB 1 17 THR H . . 4.250 3.949 3.858 4.058 . 0 0 "[ . 1 . 2]" 2
326 1 16 ASP HA 1 16 ASP QB . . 2.710 2.334 2.178 2.493 . 0 0 "[ . 1 . 2]" 2
327 1 15 CYS HA 1 16 ASP QB . . 4.480 4.194 4.057 4.429 . 0 0 "[ . 1 . 2]" 2
328 1 16 ASP QB 1 17 THR HA . . 4.780 4.581 4.286 4.761 . 0 0 "[ . 1 . 2]" 2
329 1 11 LYS QE 1 12 PRO HA . . 5.500 5.320 5.165 5.450 . 0 0 "[ . 1 . 2]" 2
330 1 9 ALA MB 1 12 PRO HA . . 5.110 4.611 3.706 5.122 0.012 7 0 "[ . 1 . 2]" 2
331 1 16 ASP QB 1 28 LEU MD1 . . 5.500 5.397 5.190 5.510 0.010 5 0 "[ . 1 . 2]" 2
332 1 21 SER HA 1 22 PHE QD . . 3.540 2.679 2.629 2.744 . 0 0 "[ . 1 . 2]" 2
333 1 22 PHE QD 1 27 ALA HA . . 4.870 4.145 4.034 4.354 . 0 0 "[ . 1 . 2]" 2
334 1 21 SER HB2 1 22 PHE QD . . 4.800 4.609 4.523 4.680 . 0 0 "[ . 1 . 2]" 2
335 1 13 PHE HB3 1 22 PHE QD . . 4.720 4.209 4.074 4.332 . 0 0 "[ . 1 . 2]" 2
336 1 13 PHE HB2 1 22 PHE QD . . 4.090 3.870 3.771 4.003 . 0 0 "[ . 1 . 2]" 2
337 1 22 PHE QD 1 28 LEU HB3 . . 4.280 4.153 4.055 4.263 . 0 0 "[ . 1 . 2]" 2
338 1 22 PHE QD 1 27 ALA MB . . 3.150 2.013 1.939 2.127 . 0 0 "[ . 1 . 2]" 2
339 1 20 LYS QD 1 22 PHE QD . . 5.100 4.704 4.395 4.785 . 0 0 "[ . 1 . 2]" 2
340 1 22 PHE QD 1 28 LEU HB2 . . 3.480 2.536 2.438 2.653 . 0 0 "[ . 1 . 2]" 2
341 1 22 PHE QD 1 28 LEU MD1 . . 3.100 2.515 2.324 2.726 . 0 0 "[ . 1 . 2]" 2
342 1 28 LEU HB2 1 29 ASN H . . 4.220 3.965 3.945 3.996 . 0 0 "[ . 1 . 2]" 2
343 1 27 ALA H 1 28 LEU HB3 . . 5.090 4.338 4.312 4.364 . 0 0 "[ . 1 . 2]" 2
344 1 28 LEU HB3 1 29 ASN HA . . 4.990 4.580 4.550 4.613 . 0 0 "[ . 1 . 2]" 2
345 1 22 PHE HB3 1 28 LEU HB3 . . 4.690 4.476 4.275 4.580 . 0 0 "[ . 1 . 2]" 2
346 1 13 PHE HB3 1 28 LEU HB3 . . 3.940 2.767 2.635 2.847 . 0 0 "[ . 1 . 2]" 2
347 1 13 PHE HB2 1 28 LEU HB2 . . 3.760 3.379 3.301 3.451 . 0 0 "[ . 1 . 2]" 2
348 1 25 ARG HG3 1 28 LEU HB3 . . 4.860 4.612 4.378 4.864 0.004 5 0 "[ . 1 . 2]" 2
349 1 28 LEU HB3 1 28 LEU MD2 . . 3.060 1.968 1.959 1.987 . 0 0 "[ . 1 . 2]" 2
350 1 28 LEU HB2 1 28 LEU MD1 . . 3.170 2.117 1.997 2.210 . 0 0 "[ . 1 . 2]" 2
351 1 33 MET H 1 34 ILE HA . . 5.290 5.264 5.219 5.300 0.010 6 0 "[ . 1 . 2]" 2
352 1 33 MET H 1 33 MET ME . . 4.680 4.225 4.017 4.501 . 0 0 "[ . 1 . 2]" 2
353 1 33 MET HA 1 34 ILE HA . . 5.040 4.877 4.853 4.913 . 0 0 "[ . 1 . 2]" 2
354 1 30 SER HA 1 33 MET ME . . 3.670 2.238 1.858 3.037 . 0 0 "[ . 1 . 2]" 2
355 1 30 SER QB 1 33 MET ME . . 4.250 3.446 2.797 4.062 . 0 0 "[ . 1 . 2]" 2
356 1 33 MET HB2 1 34 ILE HA . . 4.580 4.180 4.089 4.252 . 0 0 "[ . 1 . 2]" 2
357 1 33 MET HB3 1 34 ILE HA . . 5.030 4.443 4.375 4.508 . 0 0 "[ . 1 . 2]" 2
358 1 34 ILE HA 1 34 ILE HB . . 2.820 2.309 2.305 2.316 . 0 0 "[ . 1 . 2]" 2
359 1 34 ILE HA 1 34 ILE HG12 . . 3.740 3.640 3.627 3.656 . 0 0 "[ . 1 . 2]" 2
360 1 34 ILE HA 1 34 ILE MG . . 3.000 2.523 2.513 2.533 . 0 0 "[ . 1 . 2]" 2
361 1 13 PHE QD 1 14 ARG H . . 4.580 4.340 4.184 4.511 . 0 0 "[ . 1 . 2]" 2
362 1 13 PHE H 1 13 PHE QE . . 4.580 4.141 3.876 4.393 . 0 0 "[ . 1 . 2]" 2
363 1 13 PHE QD 1 23 ARG HA . . 4.240 2.854 2.720 3.089 . 0 0 "[ . 1 . 2]" 2
364 1 13 PHE QE 1 23 ARG HA . . 4.710 3.634 3.362 4.023 . 0 0 "[ . 1 . 2]" 2
365 1 12 PRO HA 1 13 PHE QD . . 5.460 5.202 5.113 5.346 . 0 0 "[ . 1 . 2]" 2
366 1 12 PRO QD 1 13 PHE QE . . 4.220 3.548 3.177 3.948 . 0 0 "[ . 1 . 2]" 2
367 1 30 SER QB 1 31 HIS HB3 . . 5.000 4.701 4.648 4.764 . 0 0 "[ . 1 . 2]" 2
368 1 30 SER QB 1 33 MET HG3 . . 4.920 4.164 3.967 4.336 . 0 0 "[ . 1 . 2]" 2
369 1 13 PHE QD 1 22 PHE HB2 . . 4.480 4.076 3.904 4.167 . 0 0 "[ . 1 . 2]" 2
370 1 12 PRO HB2 1 13 PHE QE . . 4.830 4.191 4.001 4.471 . 0 0 "[ . 1 . 2]" 2
371 1 12 PRO HB2 1 13 PHE QD . . 5.020 4.129 4.002 4.281 . 0 0 "[ . 1 . 2]" 2
372 1 13 PHE QD 1 28 LEU HB3 . . 5.180 3.502 3.239 3.898 . 0 0 "[ . 1 . 2]" 2
373 1 12 PRO HG2 1 13 PHE QD . . 4.530 2.436 2.263 2.633 . 0 0 "[ . 1 . 2]" 2
374 1 27 ALA MB 1 30 SER QB . . 4.860 4.585 4.523 4.633 . 0 0 "[ . 1 . 2]" 2
375 1 12 PRO HG3 1 13 PHE QE . . 4.760 3.295 3.220 3.592 . 0 0 "[ . 1 . 2]" 2
376 1 12 PRO HG3 1 13 PHE QD . . 4.530 3.973 3.851 4.158 . 0 0 "[ . 1 . 2]" 2
377 1 13 PHE QD 1 25 ARG HG2 . . 4.990 4.441 4.102 4.893 . 0 0 "[ . 1 . 2]" 2
378 1 13 PHE QD 1 28 LEU HB2 . . 5.250 4.379 4.229 4.565 . 0 0 "[ . 1 . 2]" 2
379 1 13 PHE QE 1 25 ARG HG2 . . 4.210 3.636 3.533 3.918 . 0 0 "[ . 1 . 2]" 2
380 1 13 PHE QD 1 28 LEU MD2 . . 3.590 2.094 1.960 2.424 . 0 0 "[ . 1 . 2]" 2
381 1 31 HIS HE1 1 34 ILE MG . . 4.840 4.699 4.591 4.854 0.014 3 0 "[ . 1 . 2]" 2
382 1 34 ILE H 1 34 ILE MG . . 3.120 1.850 1.823 1.868 . 0 0 "[ . 1 . 2]" 2
383 1 34 ILE MG 1 35 HIS HD2 . . 5.370 5.242 5.143 5.331 . 0 0 "[ . 1 . 2]" 2
384 1 34 ILE MG 1 35 HIS HB2 . . 5.500 5.526 5.517 5.555 0.055 3 0 "[ . 1 . 2]" 2
385 1 34 ILE HG12 1 34 ILE MG . . 3.160 2.541 2.517 2.560 . 0 0 "[ . 1 . 2]" 2
386 1 34 ILE MD 1 34 ILE MG . . 2.830 1.849 1.827 1.876 . 0 0 "[ . 1 . 2]" 2
387 1 13 PHE H 1 13 PHE HB3 . . 3.900 3.680 3.622 3.724 . 0 0 "[ . 1 . 2]" 2
388 1 13 PHE HB3 1 22 PHE HB2 . . 3.900 3.510 3.302 3.599 . 0 0 "[ . 1 . 2]" 2
389 1 13 PHE HB2 1 28 LEU HB3 . . 4.260 3.750 3.703 3.821 . 0 0 "[ . 1 . 2]" 2
390 1 13 PHE HB2 1 28 LEU HG . . 5.500 5.529 5.504 5.556 0.056 6 0 "[ . 1 . 2]" 2
391 1 13 PHE HB3 1 28 LEU HG . . 4.330 4.114 4.055 4.174 . 0 0 "[ . 1 . 2]" 2
392 1 13 PHE HB3 1 28 LEU HB2 . . 3.710 2.859 2.712 2.993 . 0 0 "[ . 1 . 2]" 2
393 1 13 PHE HB3 1 28 LEU MD2 . . 3.060 1.792 1.773 1.812 . 0 0 "[ . 1 . 2]" 2
394 1 15 CYS H 1 22 PHE QE . . 4.320 4.031 3.895 4.215 . 0 0 "[ . 1 . 2]" 2
395 1 20 LYS QD 1 22 PHE QE . . 3.880 3.143 3.040 3.286 . 0 0 "[ . 1 . 2]" 2
396 1 20 LYS HB3 1 22 PHE QE . . 3.620 2.446 2.045 2.580 . 0 0 "[ . 1 . 2]" 2
397 1 22 PHE H 1 22 PHE QE . . 4.780 4.686 4.630 4.771 . 0 0 "[ . 1 . 2]" 2
398 1 22 PHE QE 1 31 HIS HD2 . . 3.420 3.021 2.886 3.129 . 0 0 "[ . 1 . 2]" 2
399 1 15 CYS HB3 1 22 PHE QE . . 3.840 3.619 3.450 3.844 0.004 3 0 "[ . 1 . 2]" 2
400 1 22 PHE QE 1 31 HIS HB3 . . 4.040 3.378 3.327 3.448 . 0 0 "[ . 1 . 2]" 2
401 1 20 LYS HB2 1 22 PHE QE . . 3.850 3.122 2.966 3.186 . 0 0 "[ . 1 . 2]" 2
402 1 8 THR HA 1 9 ALA MB . . 4.730 4.021 3.759 4.651 . 0 0 "[ . 1 . 2]" 2
403 1 8 THR HA 1 8 THR MG . . 3.440 2.719 2.206 3.205 . 0 0 "[ . 1 . 2]" 2
404 1 30 SER HA 1 32 ARG H . . 4.470 4.264 4.144 4.376 . 0 0 "[ . 1 . 2]" 2
405 1 26 SER QB 1 29 ASN HD21 . . 5.150 5.087 4.698 5.156 0.006 12 0 "[ . 1 . 2]" 2
406 1 30 SER HA 1 33 MET H . . 4.210 3.514 3.448 3.593 . 0 0 "[ . 1 . 2]" 2
407 1 30 SER HA 1 33 MET HG3 . . 3.580 2.137 2.026 2.295 . 0 0 "[ . 1 . 2]" 2
408 1 30 SER HA 1 33 MET HG2 . . 3.980 3.770 3.647 3.965 . 0 0 "[ . 1 . 2]" 2
409 1 24 GLN QG 1 26 SER QB . . 5.290 4.793 4.546 5.192 . 0 0 "[ . 1 . 2]" 2
410 1 24 GLN HB3 1 26 SER QB . . 4.600 3.424 3.278 3.635 . 0 0 "[ . 1 . 2]" 2
411 1 25 ARG HG2 1 26 SER QB . . 5.380 5.082 4.851 5.385 0.005 15 0 "[ . 1 . 2]" 2
412 1 26 SER QB 1 29 ASN H . . 5.480 5.383 5.329 5.417 . 0 0 "[ . 1 . 2]" 2
413 1 26 SER QB 1 29 ASN QB . . 4.590 4.508 4.403 4.587 . 0 0 "[ . 1 . 2]" 2
414 1 13 PHE HZ 1 25 ARG HG2 . . 5.450 5.333 4.939 5.475 0.025 7 0 "[ . 1 . 2]" 2
415 1 26 SER HA 1 26 SER QB . . 2.710 2.353 2.291 2.451 . 0 0 "[ . 1 . 2]" 2
416 1 26 SER HA 1 29 ASN H . . 3.960 3.759 3.718 3.785 . 0 0 "[ . 1 . 2]" 2
417 1 26 SER HA 1 30 SER H . . 4.670 4.096 3.986 4.173 . 0 0 "[ . 1 . 2]" 2
418 1 26 SER HA 1 29 ASN HA . . 5.500 5.535 5.525 5.557 0.057 19 0 "[ . 1 . 2]" 2
419 1 26 SER HA 1 29 ASN QB . . 3.130 2.624 2.601 2.663 . 0 0 "[ . 1 . 2]" 2
420 1 24 GLN HB2 1 26 SER HA . . 5.500 5.463 5.347 5.509 0.009 9 0 "[ . 1 . 2]" 2
421 1 15 CYS HA 1 17 THR H . . 4.720 3.852 3.366 3.931 . 0 0 "[ . 1 . 2]" 2
422 1 15 CYS HA 1 20 LYS H . . 5.500 4.548 4.438 4.695 . 0 0 "[ . 1 . 2]" 2
423 1 34 ILE HB 1 35 HIS H . . 4.160 4.139 4.074 4.187 0.027 3 0 "[ . 1 . 2]" 2
424 1 15 CYS HA 1 32 ARG QG . . 4.790 3.244 3.016 3.440 . 0 0 "[ . 1 . 2]" 2
425 1 14 ARG QG 1 15 CYS HA . . 4.800 4.214 4.085 4.414 . 0 0 "[ . 1 . 2]" 2
426 1 31 HIS HE1 1 34 ILE MD . . 3.260 2.374 2.259 2.513 . 0 0 "[ . 1 . 2]" 2
427 1 34 ILE HA 1 34 ILE MD . . 4.360 4.179 4.178 4.181 . 0 0 "[ . 1 . 2]" 2
428 1 29 ASN QB 1 30 SER QB . . 4.330 4.044 3.854 4.271 . 0 0 "[ . 1 . 2]" 2
429 1 31 HIS HB2 1 34 ILE MD . . 5.300 3.886 3.812 3.947 . 0 0 "[ . 1 . 2]" 2
430 1 29 ASN QB 1 33 MET ME . . 4.740 3.648 3.272 4.466 . 0 0 "[ . 1 . 2]" 2
431 1 33 MET HB2 1 34 ILE MD . . 5.500 5.458 5.426 5.509 0.009 3 0 "[ . 1 . 2]" 2
432 1 34 ILE HB 1 34 ILE MD . . 3.070 2.636 2.611 2.654 . 0 0 "[ . 1 . 2]" 2
433 1 20 LYS QD 1 34 ILE MD . . 5.050 4.256 4.054 5.027 . 0 0 "[ . 1 . 2]" 2
434 1 28 LEU HB3 1 29 ASN QB . . 4.890 4.614 4.568 4.708 . 0 0 "[ . 1 . 2]" 2
435 1 25 ARG HG2 1 29 ASN QB . . 4.510 3.443 3.175 3.674 . 0 0 "[ . 1 . 2]" 2
436 1 28 LEU MD2 1 29 ASN QB . . 4.910 4.565 4.501 4.642 . 0 0 "[ . 1 . 2]" 2
437 1 22 PHE HZ 1 31 HIS H . . 5.410 5.139 4.993 5.281 . 0 0 "[ . 1 . 2]" 2
438 1 22 PHE HZ 1 31 HIS HB3 . . 4.100 3.178 3.061 3.289 . 0 0 "[ . 1 . 2]" 2
439 1 22 PHE HZ 1 31 HIS HB2 . . 3.720 2.629 2.427 2.775 . 0 0 "[ . 1 . 2]" 2
440 1 20 LYS QD 1 22 PHE HZ . . 3.630 2.863 2.655 2.949 . 0 0 "[ . 1 . 2]" 2
441 1 20 LYS HB2 1 22 PHE HZ . . 4.630 4.483 4.366 4.619 . 0 0 "[ . 1 . 2]" 2
442 1 20 LYS HB3 1 22 PHE HZ . . 3.920 3.794 3.645 3.849 . 0 0 "[ . 1 . 2]" 2
443 1 22 PHE HZ 1 28 LEU MD1 . . 4.800 4.603 4.413 4.807 0.007 3 0 "[ . 1 . 2]" 2
444 1 32 ARG HA 1 34 ILE H . . 4.510 4.363 4.239 4.513 0.003 20 0 "[ . 1 . 2]" 2
445 1 31 HIS HD2 1 32 ARG HA . . 3.460 3.239 3.160 3.316 . 0 0 "[ . 1 . 2]" 2
446 1 32 ARG HA 1 35 HIS HD2 . . 3.030 2.178 2.128 2.228 . 0 0 "[ . 1 . 2]" 2
447 1 32 ARG HA 1 33 MET HA . . 4.850 4.804 4.783 4.825 . 0 0 "[ . 1 . 2]" 2
448 1 32 ARG HA 1 35 HIS HB2 . . 3.950 3.462 3.381 3.622 . 0 0 "[ . 1 . 2]" 2
449 1 31 HIS HB3 1 32 ARG HA . . 4.690 4.505 4.444 4.590 . 0 0 "[ . 1 . 2]" 2
450 1 15 CYS HB2 1 32 ARG HA . . 4.940 4.792 4.438 4.920 . 0 0 "[ . 1 . 2]" 2
451 1 32 ARG HA 1 32 ARG QG . . 3.330 2.397 2.337 2.472 . 0 0 "[ . 1 . 2]" 2
452 1 28 LEU MD1 1 32 ARG HA . . 4.570 4.548 4.457 4.579 0.009 19 0 "[ . 1 . 2]" 2
453 1 32 ARG HA 1 34 ILE MG . . 4.860 4.628 4.568 4.692 . 0 0 "[ . 1 . 2]" 2
454 1 10 GLU HG2 1 11 LYS H . . 5.500 4.146 2.406 5.286 . 0 0 "[ . 1 . 2]" 2
455 1 38 GLU H 1 38 GLU HG3 . . 5.500 3.602 2.532 4.537 . 0 0 "[ . 1 . 2]" 2
456 1 10 GLU HG3 1 11 LYS H . . 5.500 4.362 2.516 5.289 . 0 0 "[ . 1 . 2]" 2
457 1 38 GLU H 1 38 GLU HG2 . . 5.500 3.614 2.000 5.029 . 0 0 "[ . 1 . 2]" 2
458 1 38 GLU HA 1 38 GLU HG3 . . 4.050 3.216 2.362 4.179 0.129 14 0 "[ . 1 . 2]" 2
459 1 38 GLU HA 1 38 GLU HG2 . . 4.050 3.154 2.334 3.886 . 0 0 "[ . 1 . 2]" 2
460 1 10 GLU HG2 1 11 LYS HG2 . . 5.500 3.965 1.991 5.479 . 0 0 "[ . 1 . 2]" 2
461 1 10 GLU HG3 1 11 LYS HG2 . . 5.500 4.120 1.987 5.516 0.016 8 0 "[ . 1 . 2]" 2
462 1 31 HIS HA 1 34 ILE H . . 4.080 3.513 3.463 3.561 . 0 0 "[ . 1 . 2]" 2
463 1 13 PHE QE 1 25 ARG HA . . 4.390 2.838 2.489 3.157 . 0 0 "[ . 1 . 2]" 2
464 1 13 PHE QD 1 25 ARG HA . . 3.990 2.948 2.691 3.268 . 0 0 "[ . 1 . 2]" 2
465 1 31 HIS HA 1 33 MET H . . 4.410 3.835 3.721 3.911 . 0 0 "[ . 1 . 2]" 2
466 1 22 PHE QE 1 31 HIS HA . . 5.120 4.862 4.742 4.924 . 0 0 "[ . 1 . 2]" 2
467 1 22 PHE HZ 1 31 HIS HA . . 4.840 4.607 4.398 4.707 . 0 0 "[ . 1 . 2]" 2
468 1 30 SER QB 1 31 HIS HA . . 4.340 4.037 3.845 4.301 . 0 0 "[ . 1 . 2]" 2
469 1 31 HIS HA 1 31 HIS HB2 . . 2.880 2.351 2.327 2.369 . 0 0 "[ . 1 . 2]" 2
470 1 31 HIS HA 1 33 MET HB2 . . 4.740 4.556 4.479 4.608 . 0 0 "[ . 1 . 2]" 2
471 1 25 ARG HA 1 28 LEU HB3 . . 3.460 3.101 2.921 3.267 . 0 0 "[ . 1 . 2]" 2
472 1 31 HIS HA 1 34 ILE HB . . 5.250 5.191 5.133 5.231 . 0 0 "[ . 1 . 2]" 2
473 1 25 ARG HA 1 25 ARG HG2 . . 3.420 2.998 2.848 3.219 . 0 0 "[ . 1 . 2]" 2
474 1 25 ARG HA 1 25 ARG HG3 . . 3.480 2.507 2.397 2.613 . 0 0 "[ . 1 . 2]" 2
475 1 31 HIS HA 1 34 ILE HG12 . . 4.590 4.241 4.183 4.297 . 0 0 "[ . 1 . 2]" 2
476 1 31 HIS HA 1 34 ILE MD . . 4.130 2.881 2.840 2.982 . 0 0 "[ . 1 . 2]" 2
477 1 31 HIS HA 1 34 ILE MG . . 3.890 2.222 2.165 2.260 . 0 0 "[ . 1 . 2]" 2
478 1 17 THR H 1 35 HIS HD2 . . 5.030 4.976 4.517 5.053 0.023 3 0 "[ . 1 . 2]" 2
479 1 32 ARG H 1 35 HIS HD2 . . 4.830 4.814 4.746 4.852 0.022 3 0 "[ . 1 . 2]" 2
480 1 34 ILE H 1 35 HIS HD2 . . 5.390 5.382 5.322 5.397 0.007 9 0 "[ . 1 . 2]" 2
481 1 33 MET H 1 35 HIS HD2 . . 5.450 5.354 5.246 5.444 . 0 0 "[ . 1 . 2]" 2
482 1 31 HIS HD2 1 35 HIS HD2 . . 4.140 3.598 3.491 3.957 . 0 0 "[ . 1 . 2]" 2
483 1 35 HIS HB3 1 35 HIS HD2 . . 3.750 3.586 3.570 3.616 . 0 0 "[ . 1 . 2]" 2
484 1 15 CYS HB2 1 35 HIS HD2 . . 5.060 4.701 4.508 4.960 . 0 0 "[ . 1 . 2]" 2
485 1 32 ARG HB3 1 35 HIS HD2 . . 4.060 4.015 3.849 4.065 0.005 18 0 "[ . 1 . 2]" 2
486 1 17 THR MG 1 35 HIS HD2 . . 4.190 3.305 2.922 3.462 . 0 0 "[ . 1 . 2]" 2
487 1 31 HIS H 1 31 HIS HD2 . . 4.990 4.804 4.704 4.885 . 0 0 "[ . 1 . 2]" 2
488 1 22 PHE QD 1 31 HIS HD2 . . 4.940 4.832 4.535 4.932 . 0 0 "[ . 1 . 2]" 2
489 1 22 PHE HZ 1 31 HIS HD2 . . 4.670 3.653 3.555 3.908 . 0 0 "[ . 1 . 2]" 2
490 1 15 CYS HA 1 31 HIS HD2 . . 4.640 4.249 4.079 4.403 . 0 0 "[ . 1 . 2]" 2
491 1 31 HIS HA 1 31 HIS HD2 . . 4.690 4.536 4.497 4.600 . 0 0 "[ . 1 . 2]" 2
492 1 12 PRO QD 1 23 ARG HA . . 3.450 3.335 3.110 3.501 0.051 5 0 "[ . 1 . 2]" 2
493 1 15 CYS HB3 1 31 HIS HD2 . . 3.750 3.633 3.438 3.734 . 0 0 "[ . 1 . 2]" 2
494 1 31 HIS HB3 1 31 HIS HD2 . . 3.580 2.776 2.760 2.795 . 0 0 "[ . 1 . 2]" 2
495 1 15 CYS HB2 1 31 HIS HD2 . . 3.310 2.362 2.075 2.498 . 0 0 "[ . 1 . 2]" 2
496 1 31 HIS HD2 1 32 ARG QG . . 3.550 2.926 2.631 3.080 . 0 0 "[ . 1 . 2]" 2
497 1 11 LYS HD2 1 23 ARG HA . . 5.500 4.874 4.577 4.998 . 0 0 "[ . 1 . 2]" 2
498 1 20 LYS QD 1 31 HIS HD2 . . 5.250 4.382 4.078 5.081 . 0 0 "[ . 1 . 2]" 2
499 1 28 LEU HG 1 31 HIS HD2 . . 5.500 4.943 4.647 5.139 . 0 0 "[ . 1 . 2]" 2
500 1 20 LYS HB3 1 31 HIS HD2 . . 5.040 4.687 4.051 4.890 . 0 0 "[ . 1 . 2]" 2
501 1 28 LEU HB2 1 31 HIS HD2 . . 5.500 5.278 4.950 5.467 . 0 0 "[ . 1 . 2]" 2
502 1 22 PHE H 1 28 LEU HA . . 5.500 5.517 5.501 5.531 0.031 20 0 "[ . 1 . 2]" 2
503 1 32 ARG H 1 33 MET HA . . 5.250 5.211 5.179 5.245 . 0 0 "[ . 1 . 2]" 2
504 1 28 LEU HA 1 32 ARG H . . 4.360 3.884 3.829 3.982 . 0 0 "[ . 1 . 2]" 2
505 1 28 LEU HA 1 31 HIS H . . 3.830 3.052 2.996 3.088 . 0 0 "[ . 1 . 2]" 2
506 1 22 PHE QD 1 28 LEU HA . . 3.640 3.403 3.352 3.466 . 0 0 "[ . 1 . 2]" 2
507 1 20 LYS HA 1 22 PHE QE . . 5.020 4.967 4.669 5.028 0.008 5 0 "[ . 1 . 2]" 2
508 1 22 PHE QE 1 28 LEU HA . . 4.040 3.590 3.525 3.670 . 0 0 "[ . 1 . 2]" 2
509 1 22 PHE HZ 1 28 LEU HA . . 5.110 4.208 4.091 4.330 . 0 0 "[ . 1 . 2]" 2
510 1 19 ASP HA 1 20 LYS HA . . 5.180 4.478 4.443 4.547 . 0 0 "[ . 1 . 2]" 2
511 1 28 LEU HA 1 31 HIS HA . . 5.000 4.978 4.888 5.011 0.011 17 0 "[ . 1 . 2]" 2
512 1 20 LYS HA 1 21 SER HB3 . . 4.770 4.520 4.466 4.591 . 0 0 "[ . 1 . 2]" 2
513 1 22 PHE HB3 1 28 LEU HA . . 4.760 4.449 4.301 4.558 . 0 0 "[ . 1 . 2]" 2
514 1 20 LYS HA 1 20 LYS QE . . 5.000 4.366 3.467 4.824 . 0 0 "[ . 1 . 2]" 2
515 1 28 LEU HA 1 31 HIS HB2 . . 3.500 3.399 3.358 3.419 . 0 0 "[ . 1 . 2]" 2
516 1 15 CYS HB2 1 20 LYS HA . . 5.500 5.477 5.339 5.511 0.011 11 0 "[ . 1 . 2]" 2
517 1 22 PHE HB2 1 28 LEU HA . . 4.330 3.689 3.610 3.751 . 0 0 "[ . 1 . 2]" 2
518 1 33 MET HA 1 33 MET HB3 . . 2.820 2.462 2.427 2.493 . 0 0 "[ . 1 . 2]" 2
519 1 20 LYS HA 1 20 LYS HG3 . . 3.570 3.001 2.926 3.569 . 0 0 "[ . 1 . 2]" 2
520 1 28 LEU HA 1 28 LEU HG . . 3.690 3.148 3.124 3.180 . 0 0 "[ . 1 . 2]" 2
521 1 33 MET HA 1 36 THR MG . . 3.890 2.145 1.862 3.130 . 0 0 "[ . 1 . 2]" 2
522 1 20 LYS HA 1 20 LYS HG2 . . 3.570 2.236 2.121 2.292 . 0 0 "[ . 1 . 2]" 2
523 1 28 LEU HA 1 28 LEU MD1 . . 2.920 2.710 2.596 2.823 . 0 0 "[ . 1 . 2]" 2
524 1 15 CYS H 1 20 LYS HB2 . . 5.110 3.638 3.560 3.743 . 0 0 "[ . 1 . 2]" 2
525 1 20 LYS H 1 20 LYS HB2 . . 3.420 2.339 2.249 2.406 . 0 0 "[ . 1 . 2]" 2
526 1 20 LYS HB3 1 20 LYS QE . . 4.590 3.842 2.492 4.083 . 0 0 "[ . 1 . 2]" 2
527 1 20 LYS HB2 1 20 LYS QE . . 4.830 4.091 3.720 4.505 . 0 0 "[ . 1 . 2]" 2
528 1 13 PHE H 1 21 SER HA . . 5.500 5.353 5.247 5.491 . 0 0 "[ . 1 . 2]" 2
529 1 21 SER HA 1 22 PHE QE . . 4.380 4.050 3.964 4.137 . 0 0 "[ . 1 . 2]" 2
530 1 20 LYS HA 1 21 SER HA . . 4.630 4.565 4.553 4.585 . 0 0 "[ . 1 . 2]" 2
531 1 13 PHE HB2 1 21 SER HA . . 4.920 4.155 4.045 4.266 . 0 0 "[ . 1 . 2]" 2
532 1 15 CYS HB2 1 21 SER HA . . 5.500 4.779 4.655 4.949 . 0 0 "[ . 1 . 2]" 2
533 1 14 ARG HB2 1 21 SER HA . . 4.550 4.014 3.941 4.177 . 0 0 "[ . 1 . 2]" 2
534 1 14 ARG HB3 1 21 SER HA . . 4.920 4.931 4.912 4.953 0.033 7 0 "[ . 1 . 2]" 2
535 1 14 ARG QG 1 21 SER HA . . 3.950 3.441 3.263 3.597 . 0 0 "[ . 1 . 2]" 2
536 1 20 LYS HB3 1 21 SER HA . . 4.690 3.965 3.932 3.998 . 0 0 "[ . 1 . 2]" 2
537 1 21 SER HA 1 28 LEU HB2 . . 5.360 4.623 4.504 4.700 . 0 0 "[ . 1 . 2]" 2
538 1 21 SER HA 1 28 LEU MD1 . . 4.510 3.541 3.443 3.697 . 0 0 "[ . 1 . 2]" 2
539 1 24 GLN QG 1 27 ALA H . . 4.620 4.447 4.282 4.631 0.011 11 0 "[ . 1 . 2]" 2
540 1 29 ASN HA 1 31 HIS H . . 5.410 4.607 4.525 4.663 . 0 0 "[ . 1 . 2]" 2
541 1 29 ASN HA 1 33 MET H . . 5.500 5.244 5.101 5.370 . 0 0 "[ . 1 . 2]" 2
542 1 28 LEU H 1 29 ASN HA . . 5.130 5.052 5.028 5.084 . 0 0 "[ . 1 . 2]" 2
543 1 29 ASN HA 1 32 ARG QG . . 3.480 3.247 2.989 3.491 0.011 5 0 "[ . 1 . 2]" 2
544 1 28 LEU HG 1 29 ASN HA . . 3.820 3.084 3.024 3.153 . 0 0 "[ . 1 . 2]" 2
545 1 25 ARG HG2 1 29 ASN HA . . 5.500 5.240 4.866 5.512 0.012 19 0 "[ . 1 . 2]" 2
546 1 28 LEU HB2 1 29 ASN HA . . 5.500 5.554 5.542 5.570 0.070 12 0 "[ . 1 . 2]" 2
547 1 28 LEU MD2 1 29 ASN HA . . 4.020 3.852 3.810 3.915 . 0 0 "[ . 1 . 2]" 2
548 1 14 ARG HB2 1 15 CYS H . . 4.320 4.196 4.153 4.265 . 0 0 "[ . 1 . 2]" 2
549 1 14 ARG HB3 1 15 CYS H . . 4.290 3.957 3.831 4.075 . 0 0 "[ . 1 . 2]" 2
550 1 14 ARG HB3 1 16 ASP HA . . 5.500 5.470 5.254 5.516 0.016 19 0 "[ . 1 . 2]" 2
551 1 11 LYS HB2 1 11 LYS QE . . 4.450 3.419 3.281 3.559 . 0 0 "[ . 1 . 2]" 2
552 1 11 LYS HB3 1 11 LYS QE . . 4.450 2.148 1.911 2.368 . 0 0 "[ . 1 . 2]" 2
553 1 13 PHE HB2 1 14 ARG HB2 . . 5.500 5.498 5.460 5.531 0.031 11 0 "[ . 1 . 2]" 2
554 1 14 ARG HB3 1 16 ASP QB . . 5.500 5.167 5.045 5.510 0.010 14 0 "[ . 1 . 2]" 2
555 1 14 ARG HB3 1 28 LEU MD1 . . 5.320 4.629 4.513 4.754 . 0 0 "[ . 1 . 2]" 2
556 1 14 ARG HB3 1 28 LEU MD2 . . 5.500 4.910 4.789 5.070 . 0 0 "[ . 1 . 2]" 2
557 1 14 ARG HB2 1 21 SER HB3 . . 3.940 3.472 3.381 3.714 . 0 0 "[ . 1 . 2]" 2
558 1 14 ARG HB3 1 21 SER HB3 . . 4.880 4.871 4.821 4.896 0.016 14 0 "[ . 1 . 2]" 2
559 1 12 PRO HB3 1 13 PHE QD . . 5.350 5.103 5.005 5.240 . 0 0 "[ . 1 . 2]" 2
560 1 11 LYS HA 1 12 PRO HB3 . . 5.070 4.844 4.840 4.850 . 0 0 "[ . 1 . 2]" 2
561 1 12 PRO HB3 1 13 PHE H . . 4.410 4.212 4.123 4.313 . 0 0 "[ . 1 . 2]" 2
562 1 12 PRO HB3 1 13 PHE QE . . 5.210 5.064 4.944 5.215 0.005 5 0 "[ . 1 . 2]" 2
563 1 30 SER H 1 33 MET HG3 . . 5.080 4.600 4.445 4.728 . 0 0 "[ . 1 . 2]" 2
564 1 33 MET HG3 1 34 ILE H . . 5.300 4.208 4.059 4.338 . 0 0 "[ . 1 . 2]" 2
565 1 33 MET HA 1 33 MET HG3 . . 3.420 3.328 3.160 3.416 . 0 0 "[ . 1 . 2]" 2
566 1 33 MET HA 1 33 MET HG2 . . 3.350 2.450 2.355 2.621 . 0 0 "[ . 1 . 2]" 2
567 1 24 GLN HB2 1 26 SER QB . . 4.690 3.633 3.450 3.837 . 0 0 "[ . 1 . 2]" 2
568 1 33 MET HB2 1 33 MET HG3 . . 2.770 2.329 2.268 2.448 . 0 0 "[ . 1 . 2]" 2
569 1 33 MET ME 1 33 MET HG3 . . 2.970 2.348 2.091 2.696 . 0 0 "[ . 1 . 2]" 2
570 1 33 MET HB3 1 33 MET HG2 . . 2.920 2.572 2.435 2.657 . 0 0 "[ . 1 . 2]" 2
571 1 33 MET ME 1 33 MET HG2 . . 3.220 2.711 2.210 3.247 0.027 11 0 "[ . 1 . 2]" 2
572 1 33 MET HG3 1 34 ILE MG . . 5.220 4.806 4.715 4.917 . 0 0 "[ . 1 . 2]" 2
573 1 24 GLN HB2 1 28 LEU H . . 5.500 4.515 4.400 4.663 . 0 0 "[ . 1 . 2]" 2
574 1 24 GLN HB3 1 24 GLN QG . . 2.780 2.388 2.146 2.469 . 0 0 "[ . 1 . 2]" 2
575 1 18 CYS H 1 18 CYS HB2 . . 3.940 3.733 3.679 3.767 . 0 0 "[ . 1 . 2]" 2
576 1 18 CYS H 1 18 CYS HB3 . . 3.040 3.055 3.039 3.067 0.027 8 0 "[ . 1 . 2]" 2
577 1 17 THR MG 1 18 CYS HB2 . . 5.160 4.902 4.667 5.158 . 0 0 "[ . 1 . 2]" 2
578 1 11 LYS HG3 1 23 ARG HB2 . . 5.340 4.927 3.118 5.356 0.016 12 0 "[ . 1 . 2]" 2
579 1 11 LYS HG3 1 23 ARG HB3 . . 5.340 4.800 4.451 4.932 . 0 0 "[ . 1 . 2]" 2
580 1 27 ALA HA 1 30 SER H . . 4.110 4.059 3.999 4.101 . 0 0 "[ . 1 . 2]" 2
581 1 27 ALA HA 1 31 HIS H . . 4.510 4.391 4.274 4.475 . 0 0 "[ . 1 . 2]" 2
582 1 27 ALA HA 1 30 SER QB . . 3.390 3.308 3.194 3.391 0.001 13 0 "[ . 1 . 2]" 2
583 1 27 ALA HA 1 28 LEU HA . . 5.110 4.661 4.649 4.671 . 0 0 "[ . 1 . 2]" 2
584 1 24 GLN HB2 1 27 ALA HA . . 4.670 4.215 4.014 4.432 . 0 0 "[ . 1 . 2]" 2
585 1 11 LYS HA 1 12 PRO HB2 . . 5.500 5.579 5.570 5.594 0.094 11 0 "[ . 1 . 2]" 2
586 1 11 LYS HA 1 11 LYS HD2 . . 3.900 2.172 1.974 2.329 . 0 0 "[ . 1 . 2]" 2
587 1 11 LYS HA 1 11 LYS HG3 . . 3.740 3.708 3.619 3.777 0.037 18 0 "[ . 1 . 2]" 2
588 1 32 ARG H 1 32 ARG HB3 . . 3.660 3.588 3.586 3.591 . 0 0 "[ . 1 . 2]" 2
589 1 32 ARG HB3 1 33 MET H . . 4.590 3.969 3.901 4.060 . 0 0 "[ . 1 . 2]" 2
590 1 32 ARG HB2 1 33 MET H . . 4.390 3.007 2.939 3.071 . 0 0 "[ . 1 . 2]" 2
591 1 31 HIS HD2 1 32 ARG HB3 . . 5.100 5.084 4.946 5.106 0.006 7 0 "[ . 1 . 2]" 2
592 1 31 HIS HD2 1 32 ARG HB2 . . 5.220 5.162 5.065 5.220 0.000 2 0 "[ . 1 . 2]" 2
593 1 32 ARG HB2 1 35 HIS HD2 . . 5.150 5.079 4.992 5.146 . 0 0 "[ . 1 . 2]" 2
594 1 32 ARG HB3 1 33 MET HA . . 4.920 4.579 4.517 4.665 . 0 0 "[ . 1 . 2]" 2
595 1 32 ARG HB3 1 32 ARG HD3 . . 3.900 3.092 2.506 3.751 . 0 0 "[ . 1 . 2]" 2
596 1 9 ALA MB 1 10 GLU HB3 . . 5.500 4.807 4.326 5.517 0.017 1 0 "[ . 1 . 2]" 2
597 1 28 LEU MD1 1 32 ARG HB3 . . 4.960 4.791 4.649 4.925 . 0 0 "[ . 1 . 2]" 2
598 1 28 LEU MD1 1 32 ARG HB2 . . 4.640 4.623 4.479 4.652 0.012 7 0 "[ . 1 . 2]" 2
599 1 9 ALA HA 1 10 GLU HB2 . . 5.500 4.842 4.240 5.660 0.160 19 0 "[ . 1 . 2]" 2
600 1 9 ALA HA 1 10 GLU HB3 . . 5.500 4.831 4.329 5.611 0.111 7 0 "[ . 1 . 2]" 2
601 1 15 CYS HB2 1 22 PHE QE . . 3.560 2.781 2.580 3.278 . 0 0 "[ . 1 . 2]" 2
602 1 11 LYS HA 1 11 LYS HD3 . . 4.720 3.646 3.495 3.762 . 0 0 "[ . 1 . 2]" 2
603 1 11 LYS HD3 1 23 ARG HA . . 5.440 4.309 3.907 4.657 . 0 0 "[ . 1 . 2]" 2
604 1 11 LYS HD2 1 12 PRO QD . . 4.560 3.531 3.389 3.654 . 0 0 "[ . 1 . 2]" 2
605 1 15 CYS HB3 1 17 THR HB . . 4.770 4.464 4.350 4.569 . 0 0 "[ . 1 . 2]" 2
606 1 15 CYS HB3 1 20 LYS HB2 . . 4.330 2.113 1.980 2.224 . 0 0 "[ . 1 . 2]" 2
607 1 15 CYS HB2 1 20 LYS HB2 . . 4.350 3.087 2.979 3.170 . 0 0 "[ . 1 . 2]" 2
608 1 15 CYS HB3 1 20 LYS HB3 . . 4.400 3.391 3.199 3.601 . 0 0 "[ . 1 . 2]" 2
609 1 15 CYS HB3 1 20 LYS H . . 3.290 2.073 1.908 2.158 . 0 0 "[ . 1 . 2]" 2
610 1 15 CYS HB2 1 20 LYS H . . 3.980 3.748 3.593 3.831 . 0 0 "[ . 1 . 2]" 2
611 1 13 PHE QE 1 25 ARG HB3 . . 4.770 3.662 3.530 3.937 . 0 0 "[ . 1 . 2]" 2
612 1 13 PHE QE 1 25 ARG HB2 . . 4.770 2.144 1.991 2.553 . 0 0 "[ . 1 . 2]" 2
613 1 15 CYS HB2 1 22 PHE QD . . 4.670 4.109 3.954 4.439 . 0 0 "[ . 1 . 2]" 2
614 1 15 CYS HB2 1 22 PHE HZ . . 5.350 4.725 4.507 5.198 . 0 0 "[ . 1 . 2]" 2
615 1 15 CYS HB3 1 19 ASP HA . . 4.580 4.373 4.179 4.479 . 0 0 "[ . 1 . 2]" 2
616 1 11 LYS HD3 1 12 PRO QD . . 4.490 4.361 4.211 4.485 . 0 0 "[ . 1 . 2]" 2
617 1 15 CYS HB2 1 31 HIS HB3 . . 4.840 4.511 4.378 4.628 . 0 0 "[ . 1 . 2]" 2
618 1 14 ARG QG 1 15 CYS HB2 . . 5.500 4.871 4.796 4.954 . 0 0 "[ . 1 . 2]" 2
619 1 15 CYS HB2 1 20 LYS QD . . 5.500 4.585 4.388 5.273 . 0 0 "[ . 1 . 2]" 2
620 1 15 CYS HB2 1 28 LEU HG . . 5.500 4.923 4.801 5.041 . 0 0 "[ . 1 . 2]" 2
621 1 15 CYS HB3 1 20 LYS QD . . 5.500 4.292 4.110 4.832 . 0 0 "[ . 1 . 2]" 2
622 1 15 CYS HB2 1 20 LYS HB3 . . 4.260 3.788 3.592 3.926 . 0 0 "[ . 1 . 2]" 2
623 1 15 CYS HB3 1 28 LEU MD1 . . 3.800 3.762 3.631 3.813 0.013 12 0 "[ . 1 . 2]" 2
624 1 39 LYS HA 1 39 LYS QD . . 4.800 3.398 2.026 4.490 . 0 0 "[ . 1 . 2]" 2
625 1 20 LYS HA 1 20 LYS QD . . 4.030 3.796 2.613 3.948 . 0 0 "[ . 1 . 2]" 2
626 1 20 LYS HB3 1 20 LYS QD . . 2.900 2.214 2.120 2.332 . 0 0 "[ . 1 . 2]" 2
627 1 32 ARG QG 1 33 MET H . . 4.520 4.140 4.060 4.210 . 0 0 "[ . 1 . 2]" 2
628 1 32 ARG QG 1 35 HIS HD2 . . 4.250 3.578 3.422 3.728 . 0 0 "[ . 1 . 2]" 2
629 1 15 CYS HB2 1 32 ARG QG . . 4.840 3.381 3.017 3.560 . 0 0 "[ . 1 . 2]" 2
630 1 28 LEU HB2 1 32 ARG QG . . 4.800 4.602 4.550 4.756 . 0 0 "[ . 1 . 2]" 2
631 1 35 HIS H 1 35 HIS HB2 . . 3.600 2.473 2.461 2.490 . 0 0 "[ . 1 . 2]" 2
632 1 35 HIS HB2 1 35 HIS HD2 . . 3.590 2.701 2.695 2.705 . 0 0 "[ . 1 . 2]" 2
633 1 31 HIS HB2 1 32 ARG H . . 4.310 4.061 3.998 4.111 . 0 0 "[ . 1 . 2]" 2
634 1 34 ILE H 1 35 HIS HB2 . . 5.190 5.066 5.005 5.173 . 0 0 "[ . 1 . 2]" 2
635 1 30 SER H 1 31 HIS HB2 . . 4.960 4.905 4.844 4.961 0.001 8 0 "[ . 1 . 2]" 2
636 1 35 HIS H 1 35 HIS HB3 . . 3.630 3.623 3.612 3.634 0.004 3 0 "[ . 1 . 2]" 2
637 1 22 PHE QD 1 31 HIS HB3 . . 4.980 4.344 4.220 4.385 . 0 0 "[ . 1 . 2]" 2
638 1 22 PHE QD 1 31 HIS HB2 . . 4.880 4.390 4.311 4.443 . 0 0 "[ . 1 . 2]" 2
639 1 22 PHE QE 1 31 HIS HB2 . . 3.920 2.884 2.833 2.943 . 0 0 "[ . 1 . 2]" 2
640 1 35 HIS HB2 1 36 THR HA . . 4.980 4.450 4.016 5.009 0.029 3 0 "[ . 1 . 2]" 2
641 1 35 HIS HB3 1 36 THR HA . . 4.970 4.563 4.261 4.933 . 0 0 "[ . 1 . 2]" 2
642 1 30 SER QB 1 31 HIS HB2 . . 4.820 4.479 4.416 4.620 . 0 0 "[ . 1 . 2]" 2
643 1 32 ARG HA 1 35 HIS HB3 . . 5.340 4.995 4.927 5.140 . 0 0 "[ . 1 . 2]" 2
644 1 31 HIS HB3 1 32 ARG QG . . 4.530 3.609 3.428 3.704 . 0 0 "[ . 1 . 2]" 2
645 1 31 HIS HB2 1 32 ARG QG . . 5.270 5.113 4.990 5.184 . 0 0 "[ . 1 . 2]" 2
646 1 28 LEU HB2 1 31 HIS HB2 . . 5.500 5.493 5.434 5.511 0.011 20 0 "[ . 1 . 2]" 2
647 1 35 HIS HB2 1 36 THR MG . . 4.690 3.374 2.865 3.637 . 0 0 "[ . 1 . 2]" 2
648 1 28 LEU MD1 1 31 HIS HB3 . . 3.920 3.387 3.247 3.502 . 0 0 "[ . 1 . 2]" 2
649 1 28 LEU MD1 1 31 HIS HB2 . . 5.070 4.793 4.656 4.921 . 0 0 "[ . 1 . 2]" 2
650 1 17 THR MG 1 35 HIS HB3 . . 4.110 2.171 1.985 2.438 . 0 0 "[ . 1 . 2]" 2
651 1 23 ARG HA 1 23 ARG HG2 . . 3.720 2.680 2.404 3.638 . 0 0 "[ . 1 . 2]" 2
652 1 23 ARG HA 1 23 ARG HG3 . . 3.720 3.171 2.417 3.623 . 0 0 "[ . 1 . 2]" 2
653 1 11 LYS QE 1 23 ARG HG3 . . 5.020 3.299 1.986 4.007 . 0 0 "[ . 1 . 2]" 2
654 1 11 LYS HG3 1 23 ARG HG3 . . 4.240 3.485 2.509 4.256 0.016 11 0 "[ . 1 . 2]" 2
655 1 39 LYS HA 1 40 PRO HD2 . . 3.130 2.187 1.913 2.407 . 0 0 "[ . 1 . 2]" 2
656 1 39 LYS HA 1 40 PRO HD3 . . 3.130 2.518 2.254 3.199 0.069 14 0 "[ . 1 . 2]" 2
657 1 28 LEU HG 1 32 ARG QG . . 3.970 2.473 2.293 2.714 . 0 0 "[ . 1 . 2]" 2
658 1 22 PHE QD 1 28 LEU HG . . 5.140 4.875 4.754 5.002 . 0 0 "[ . 1 . 2]" 2
659 1 14 ARG QG 1 15 CYS HB3 . . 4.820 4.184 4.105 4.273 . 0 0 "[ . 1 . 2]" 2
660 1 11 LYS QE 1 12 PRO QD . . 4.570 1.877 1.785 2.008 . 0 0 "[ . 1 . 2]" 2
661 1 13 PHE QE 1 25 ARG HG3 . . 4.410 2.056 1.984 2.344 . 0 0 "[ . 1 . 2]" 2
662 1 12 PRO QD 1 13 PHE QD . . 3.750 2.816 2.620 3.180 . 0 0 "[ . 1 . 2]" 2
663 1 13 PHE QD 1 25 ARG HG3 . . 4.750 2.952 2.663 3.288 . 0 0 "[ . 1 . 2]" 2
664 1 14 ARG QG 1 16 ASP HA . . 4.490 4.201 3.944 4.500 0.010 14 0 "[ . 1 . 2]" 2
665 1 14 ARG QG 1 19 ASP HA . . 4.640 3.505 3.308 3.741 . 0 0 "[ . 1 . 2]" 2
666 1 11 LYS HA 1 12 PRO QD . . 2.530 2.079 2.067 2.099 . 0 0 "[ . 1 . 2]" 2
667 1 14 ARG HB3 1 14 ARG QG . . 2.640 2.379 2.314 2.427 . 0 0 "[ . 1 . 2]" 2
668 1 13 PHE H 1 28 LEU MD2 . . 4.820 4.692 4.563 4.768 . 0 0 "[ . 1 . 2]" 2
669 1 34 ILE H 1 34 ILE HG13 . . 4.240 4.083 4.026 4.128 . 0 0 "[ . 1 . 2]" 2
670 1 12 PRO HG2 1 13 PHE QE . . 4.760 2.496 2.353 2.755 . 0 0 "[ . 1 . 2]" 2
671 1 11 LYS HA 1 12 PRO HG2 . . 5.050 4.496 4.479 4.524 . 0 0 "[ . 1 . 2]" 2
672 1 31 HIS HA 1 34 ILE HG13 . . 5.500 5.499 5.463 5.514 0.014 4 0 "[ . 1 . 2]" 2
673 1 34 ILE HA 1 34 ILE HG13 . . 4.130 3.680 3.669 3.692 . 0 0 "[ . 1 . 2]" 2
674 1 22 PHE HB2 1 28 LEU MD2 . . 4.500 4.040 3.900 4.108 . 0 0 "[ . 1 . 2]" 2
675 1 28 LEU MD2 1 32 ARG QG . . 4.360 3.710 3.537 3.903 . 0 0 "[ . 1 . 2]" 2
676 1 22 PHE QD 1 28 LEU MD2 . . 4.550 4.192 4.086 4.346 . 0 0 "[ . 1 . 2]" 2
677 1 11 LYS HA 1 12 PRO HG3 . . 5.050 4.460 4.448 4.481 . 0 0 "[ . 1 . 2]" 2
678 1 15 CYS HA 1 28 LEU MD2 . . 4.550 4.275 4.124 4.417 . 0 0 "[ . 1 . 2]" 2
679 1 28 LEU MD2 1 32 ARG HD2 . . 4.700 3.779 2.939 4.656 . 0 0 "[ . 1 . 2]" 2
680 1 28 LEU HA 1 28 LEU MD2 . . 4.060 4.037 4.030 4.044 . 0 0 "[ . 1 . 2]" 2
681 1 13 PHE HB2 1 28 LEU MD2 . . 3.360 3.217 3.177 3.244 . 0 0 "[ . 1 . 2]" 2
682 1 28 LEU HB2 1 28 LEU MD2 . . 3.250 2.709 2.694 2.715 . 0 0 "[ . 1 . 2]" 2
683 1 20 LYS H 1 20 LYS HG3 . . 4.340 3.577 3.372 4.085 . 0 0 "[ . 1 . 2]" 2
684 1 20 LYS H 1 20 LYS HG2 . . 4.340 4.184 3.595 4.257 . 0 0 "[ . 1 . 2]" 2
685 1 20 LYS QE 1 20 LYS HG3 . . 3.790 2.606 2.256 3.451 . 0 0 "[ . 1 . 2]" 2
686 1 20 LYS HG3 1 21 SER H . . 4.510 4.469 4.417 4.499 . 0 0 "[ . 1 . 2]" 2
687 1 20 LYS HG2 1 21 SER H . . 4.510 3.326 3.266 3.951 . 0 0 "[ . 1 . 2]" 2
688 1 20 LYS HG2 1 22 PHE QE . . 5.140 4.835 4.735 4.940 . 0 0 "[ . 1 . 2]" 2
689 1 20 LYS HG3 1 22 PHE QE . . 5.140 4.872 3.935 4.997 . 0 0 "[ . 1 . 2]" 2
690 1 20 LYS HG3 1 22 PHE HZ . . 5.500 5.433 4.193 5.527 0.027 13 0 "[ . 1 . 2]" 2
691 1 20 LYS HG2 1 22 PHE HZ . . 5.500 5.452 5.378 5.520 0.020 19 0 "[ . 1 . 2]" 2
692 1 10 GLU HA 1 11 LYS HD2 . . 4.510 4.381 4.268 4.519 0.009 1 0 "[ . 1 . 2]" 2
693 1 9 ALA MB 1 10 GLU HA . . 4.740 4.555 4.291 4.693 . 0 0 "[ . 1 . 2]" 2
694 1 22 PHE HB3 1 24 GLN HB2 . . 4.890 4.557 4.407 4.814 . 0 0 "[ . 1 . 2]" 2
695 1 22 PHE HB3 1 28 LEU MD1 . . 5.500 5.054 4.925 5.178 . 0 0 "[ . 1 . 2]" 2
696 1 22 PHE HB3 1 28 LEU MD2 . . 5.500 5.445 5.293 5.513 0.013 18 0 "[ . 1 . 2]" 2
697 1 20 LYS QE 1 20 LYS HG2 . . 3.790 2.494 2.218 3.069 . 0 0 "[ . 1 . 2]" 2
698 1 10 GLU H 1 10 GLU QB . . 3.490 2.325 2.130 2.770 . 0 0 "[ . 1 . 2]" 2
699 1 10 GLU QB 1 11 LYS HA . . 5.340 4.383 4.118 4.772 . 0 0 "[ . 1 . 2]" 2
700 1 10 GLU QB 1 11 LYS HG2 . . 4.300 3.172 2.468 4.061 . 0 0 "[ . 1 . 2]" 2
701 1 10 GLU QB 1 11 LYS HG3 . . 5.340 4.720 4.136 5.416 0.076 5 0 "[ . 1 . 2]" 2
702 1 10 GLU QG 1 11 LYS H . . 4.780 3.662 2.386 4.554 . 0 0 "[ . 1 . 2]" 2
703 1 10 GLU QG 1 11 LYS HG2 . . 4.690 3.423 1.865 4.544 . 0 0 "[ . 1 . 2]" 2
704 1 11 LYS H 1 11 LYS QB . . 3.420 2.580 2.473 2.652 . 0 0 "[ . 1 . 2]" 2
705 1 11 LYS HA 1 12 PRO QG . . 4.240 3.989 3.976 4.011 . 0 0 "[ . 1 . 2]" 2
706 1 11 LYS QB 1 12 PRO QD . . 3.410 1.991 1.948 2.045 . 0 0 "[ . 1 . 2]" 2
707 1 11 LYS QB 1 21 SER HB2 . . 3.500 2.320 2.148 2.478 . 0 0 "[ . 1 . 2]" 2
708 1 11 LYS QB 1 22 PHE H . . 3.710 3.374 3.303 3.452 . 0 0 "[ . 1 . 2]" 2
709 1 11 LYS QB 1 23 ARG HA . . 3.980 2.995 2.810 3.118 . 0 0 "[ . 1 . 2]" 2
710 1 11 LYS HG2 1 23 ARG QG . . 4.430 3.956 3.782 4.112 . 0 0 "[ . 1 . 2]" 2
711 1 11 LYS HG3 1 23 ARG QB . . 4.510 4.264 3.061 4.524 0.014 12 0 "[ . 1 . 2]" 2
712 1 11 LYS HG3 1 23 ARG QG . . 3.730 2.575 2.395 2.903 . 0 0 "[ . 1 . 2]" 2
713 1 11 LYS HD3 1 23 ARG QG . . 4.720 2.690 2.412 3.166 . 0 0 "[ . 1 . 2]" 2
714 1 11 LYS QE 1 23 ARG QB . . 4.710 3.065 2.770 3.516 . 0 0 "[ . 1 . 2]" 2
715 1 11 LYS QE 1 23 ARG QG . . 4.140 2.083 1.916 2.405 . 0 0 "[ . 1 . 2]" 2
716 1 12 PRO QG 1 13 PHE H . . 3.630 2.505 2.315 2.740 . 0 0 "[ . 1 . 2]" 2
717 1 12 PRO QG 1 13 PHE QD . . 3.680 2.415 2.248 2.606 . 0 0 "[ . 1 . 2]" 2
718 1 12 PRO QG 1 13 PHE QE . . 3.900 2.425 2.298 2.672 . 0 0 "[ . 1 . 2]" 2
719 1 12 PRO QG 1 23 ARG HA . . 5.180 4.191 3.960 4.567 . 0 0 "[ . 1 . 2]" 2
720 1 12 PRO QD 1 23 ARG QB . . 5.340 4.813 4.545 5.263 . 0 0 "[ . 1 . 2]" 2
721 1 12 PRO QD 1 23 ARG QG . . 4.460 4.417 4.000 4.498 0.038 14 0 "[ . 1 . 2]" 2
722 1 13 PHE QD 1 25 ARG QB . . 4.550 3.882 3.704 4.073 . 0 0 "[ . 1 . 2]" 2
723 1 13 PHE QD 1 25 ARG QD . . 4.610 4.486 4.210 4.640 0.030 7 0 "[ . 1 . 2]" 2
724 1 13 PHE QE 1 25 ARG QB . . 4.000 2.130 1.981 2.523 . 0 0 "[ . 1 . 2]" 2
725 1 13 PHE HZ 1 25 ARG QB . . 4.080 2.481 2.165 2.719 . 0 0 "[ . 1 . 2]" 2
726 1 14 ARG QD 1 16 ASP HA . . 5.220 4.909 4.365 5.131 . 0 0 "[ . 1 . 2]" 2
727 1 14 ARG QD 1 21 SER HA . . 5.340 5.266 5.138 5.362 0.022 16 0 "[ . 1 . 2]" 2
728 1 14 ARG QD 1 21 SER HB3 . . 4.310 4.138 3.880 4.324 0.014 14 0 "[ . 1 . 2]" 2
729 1 15 CYS HA 1 32 ARG QD . . 4.860 3.363 2.859 4.191 . 0 0 "[ . 1 . 2]" 2
730 1 15 CYS HB3 1 20 LYS QG . . 5.310 3.998 3.820 4.110 . 0 0 "[ . 1 . 2]" 2
731 1 19 ASP H 1 19 ASP QB . . 3.270 3.098 2.899 3.255 . 0 0 "[ . 1 . 2]" 2
732 1 19 ASP H 1 20 LYS QG . . 5.340 4.810 4.716 4.904 . 0 0 "[ . 1 . 2]" 2
733 1 19 ASP QB 1 20 LYS HA . . 5.340 4.382 4.259 4.669 . 0 0 "[ . 1 . 2]" 2
734 1 20 LYS H 1 20 LYS QG . . 3.680 3.373 3.232 3.462 . 0 0 "[ . 1 . 2]" 2
735 1 20 LYS HA 1 20 LYS QG . . 3.020 2.177 2.089 2.267 . 0 0 "[ . 1 . 2]" 2
736 1 20 LYS QG 1 22 PHE QE . . 4.480 4.316 3.763 4.422 . 0 0 "[ . 1 . 2]" 2
737 1 20 LYS QG 1 31 HIS HE1 . . 5.340 4.154 2.377 4.452 . 0 0 "[ . 1 . 2]" 2
738 1 23 ARG QB 1 24 GLN H . . 3.730 2.669 2.532 2.817 . 0 0 "[ . 1 . 2]" 2
739 1 23 ARG QB 1 24 GLN QG . . 4.090 2.557 2.438 2.899 . 0 0 "[ . 1 . 2]" 2
740 1 23 ARG QB 1 27 ALA MB . . 5.340 4.450 4.323 4.556 . 0 0 "[ . 1 . 2]" 2
741 1 23 ARG QG 1 24 GLN H . . 4.580 4.069 3.820 4.551 . 0 0 "[ . 1 . 2]" 2
742 1 23 ARG QG 1 24 GLN QG . . 4.400 4.338 3.998 4.472 0.072 8 0 "[ . 1 . 2]" 2
743 1 24 GLN H 1 24 GLN QE . . 5.030 4.365 3.409 4.980 . 0 0 "[ . 1 . 2]" 2
744 1 25 ARG QB 1 25 ARG QD . . 3.080 2.223 2.101 2.373 . 0 0 "[ . 1 . 2]" 2
745 1 25 ARG QB 1 26 SER QB . . 4.880 3.990 3.870 4.585 . 0 0 "[ . 1 . 2]" 2
746 1 25 ARG QB 1 29 ASN HD22 . . 5.060 4.284 4.068 4.519 . 0 0 "[ . 1 . 2]" 2
747 1 28 LEU HG 1 32 ARG QD . . 4.090 2.862 2.394 3.251 . 0 0 "[ . 1 . 2]" 2
748 1 28 LEU MD2 1 32 ARG QD . . 4.110 3.045 2.681 3.686 . 0 0 "[ . 1 . 2]" 2
749 1 29 ASN HA 1 32 ARG QD . . 3.980 3.664 2.820 3.997 0.017 8 0 "[ . 1 . 2]" 2
750 1 31 HIS HD2 1 32 ARG QD . . 5.340 4.805 4.520 5.117 . 0 0 "[ . 1 . 2]" 2
751 1 32 ARG H 1 32 ARG QD . . 4.240 4.090 3.823 4.234 . 0 0 "[ . 1 . 2]" 2
752 1 32 ARG HA 1 32 ARG QD . . 4.870 4.050 3.894 4.140 . 0 0 "[ . 1 . 2]" 2
753 1 32 ARG HB2 1 32 ARG QD . . 3.580 2.793 2.381 3.114 . 0 0 "[ . 1 . 2]" 2
754 1 32 ARG HB3 1 32 ARG QD . . 3.230 2.501 2.285 2.640 . 0 0 "[ . 1 . 2]" 2
755 1 32 ARG QD 1 35 HIS HD2 . . 5.340 5.185 4.968 5.350 0.010 11 0 "[ . 1 . 2]" 2
756 1 36 THR MG 1 37 GLY QA . . 5.340 4.974 4.236 5.202 . 0 0 "[ . 1 . 2]" 2
757 1 38 GLU H 1 38 GLU QB . . 3.490 2.568 2.163 3.399 . 0 0 "[ . 1 . 2]" 2
758 1 38 GLU QB 1 39 LYS H . . 4.080 3.335 2.016 4.048 . 0 0 "[ . 1 . 2]" 2
759 1 39 LYS HA 1 40 PRO QD . . 2.730 2.029 1.853 2.260 . 0 0 "[ . 1 . 2]" 2
760 1 39 LYS QB 1 40 PRO QD . . 3.810 3.011 2.107 3.797 . 0 0 "[ . 1 . 2]" 2
761 1 39 LYS QG 1 40 PRO QD . . 4.950 3.432 1.811 4.322 . 0 0 "[ . 1 . 2]" 2
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