NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
648402 |
6v6t   |
30695 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_6v6t
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 9
_Distance_constraint_stats_list.Viol_count 140
_Distance_constraint_stats_list.Viol_total 324.534
_Distance_constraint_stats_list.Viol_max 0.138
_Distance_constraint_stats_list.Viol_rms 0.0496
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0901
_Distance_constraint_stats_list.Viol_average_violations_only 0.1159
_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 3 CYS 6.338 0.111 20 0 "[ . 1 . 2]"
1 10 CYS 4.549 0.123 14 0 "[ . 1 . 2]"
1 16 CYS 5.340 0.138 11 0 "[ . 1 . 2]"
1 17 CYS 6.338 0.111 20 0 "[ . 1 . 2]"
1 22 CYS 4.549 0.123 14 0 "[ . 1 . 2]"
1 29 CYS 5.340 0.138 11 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 3 CYS SG 1 17 CYS SG . . 2.000 2.103 2.101 2.106 0.106 6 0 "[ . 1 . 2]" 1
2 1 3 CYS SG 1 17 CYS CB . . 3.000 3.108 3.106 3.111 0.111 20 0 "[ . 1 . 2]" 1
3 1 3 CYS CB 1 17 CYS SG . . 3.000 3.106 3.104 3.109 0.109 2 0 "[ . 1 . 2]" 1
4 1 10 CYS SG 1 22 CYS SG . . 2.000 1.988 1.986 1.990 . 0 0 "[ . 1 . 2]" 1
5 1 10 CYS SG 1 22 CYS CB . . 3.000 3.108 3.102 3.112 0.112 13 0 "[ . 1 . 2]" 1
6 1 10 CYS CB 1 22 CYS SG . . 3.000 3.120 3.117 3.123 0.123 14 0 "[ . 1 . 2]" 1
7 1 16 CYS SG 1 29 CYS SG . . 2.000 1.978 1.976 1.981 . 0 0 "[ . 1 . 2]" 1
8 1 16 CYS SG 1 29 CYS CB . . 3.000 3.136 3.132 3.138 0.138 11 0 "[ . 1 . 2]" 1
9 1 16 CYS CB 1 29 CYS SG . . 3.000 3.131 3.126 3.134 0.134 17 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 493
_Distance_constraint_stats_list.Viol_count 598
_Distance_constraint_stats_list.Viol_total 216.466
_Distance_constraint_stats_list.Viol_max 0.079
_Distance_constraint_stats_list.Viol_rms 0.0061
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0011
_Distance_constraint_stats_list.Viol_average_violations_only 0.0181
_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 1 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 2 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 3 CYS 0.000 0.000 2 0 "[ . 1 . 2]"
1 4 ARG 3.842 0.079 18 0 "[ . 1 . 2]"
1 5 TYR 0.377 0.033 13 0 "[ . 1 . 2]"
1 6 LEU 0.443 0.017 19 0 "[ . 1 . 2]"
1 7 PHE 0.161 0.016 11 0 "[ . 1 . 2]"
1 8 GLY 2.551 0.079 18 0 "[ . 1 . 2]"
1 9 GLY 1.590 0.051 6 0 "[ . 1 . 2]"
1 10 CYS 0.011 0.011 18 0 "[ . 1 . 2]"
1 11 LYS 0.046 0.046 18 0 "[ . 1 . 2]"
1 12 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 THR 0.345 0.030 13 0 "[ . 1 . 2]"
1 14 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 ASP 0.046 0.046 18 0 "[ . 1 . 2]"
1 16 CYS 1.326 0.072 18 0 "[ . 1 . 2]"
1 17 CYS 0.120 0.009 1 0 "[ . 1 . 2]"
1 18 LYS 0.300 0.013 18 0 "[ . 1 . 2]"
1 19 HIS 0.319 0.015 18 0 "[ . 1 . 2]"
1 20 LEU 1.308 0.036 20 0 "[ . 1 . 2]"
1 21 GLY 1.905 0.073 4 0 "[ . 1 . 2]"
1 22 CYS 1.005 0.032 18 0 "[ . 1 . 2]"
1 23 ARG 1.359 0.073 4 0 "[ . 1 . 2]"
1 24 THR 0.509 0.055 13 0 "[ . 1 . 2]"
1 25 ASP 0.711 0.059 6 0 "[ . 1 . 2]"
1 26 LEU 0.021 0.006 18 0 "[ . 1 . 2]"
1 27 TYR 1.055 0.059 6 0 "[ . 1 . 2]"
1 28 TYR 0.908 0.044 6 0 "[ . 1 . 2]"
1 29 CYS 0.404 0.035 19 0 "[ . 1 . 2]"
1 30 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 31 TRP 0.668 0.017 19 0 "[ . 1 . 2]"
1 32 ASP 0.187 0.013 18 0 "[ . 1 . 2]"
1 33 GLY 0.070 0.011 16 0 "[ . 1 . 2]"
1 34 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 PHE 0.008 0.005 18 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 16 CYS HA 1 17 CYS HB3 . . 4.980 4.545 4.537 4.557 . 0 0 "[ . 1 . 2]" 2
2 1 20 LEU MD2 1 21 GLY H . . 4.270 3.505 3.437 3.589 . 0 0 "[ . 1 . 2]" 2
3 1 20 LEU MD1 1 21 GLY H . . 4.980 4.594 4.565 4.674 . 0 0 "[ . 1 . 2]" 2
4 1 20 LEU HB3 1 21 GLY H . . 3.600 2.333 2.309 2.342 . 0 0 "[ . 1 . 2]" 2
5 1 21 GLY H 1 30 ALA MB . . 3.930 2.851 2.784 2.973 . 0 0 "[ . 1 . 2]" 2
6 1 11 LYS H 1 11 LYS HG2 . . 4.220 3.566 2.798 4.182 . 0 0 "[ . 1 . 2]" 2
7 1 11 LYS H 1 11 LYS QB . . 3.230 2.630 2.514 2.720 . 0 0 "[ . 1 . 2]" 2
8 1 21 GLY H 1 29 CYS HB3 . . 4.160 4.014 3.925 4.099 . 0 0 "[ . 1 . 2]" 2
9 1 20 LEU HB2 1 21 GLY H . . 3.960 3.354 3.333 3.387 . 0 0 "[ . 1 . 2]" 2
10 1 11 LYS H 1 15 ASP HB2 . . 3.650 2.898 2.815 3.173 . 0 0 "[ . 1 . 2]" 2
11 1 11 LYS H 1 15 ASP HB3 . . 4.190 3.406 3.363 3.673 . 0 0 "[ . 1 . 2]" 2
12 1 10 CYS HB2 1 11 LYS H . . 3.240 2.187 2.079 2.240 . 0 0 "[ . 1 . 2]" 2
13 1 7 PHE H 1 20 LEU MD2 . . 5.310 4.801 4.714 4.879 . 0 0 "[ . 1 . 2]" 2
14 1 20 LEU MD2 1 29 CYS H . . 5.500 4.898 4.623 4.973 . 0 0 "[ . 1 . 2]" 2
15 1 11 LYS H 1 11 LYS HG3 . . 4.220 3.549 2.899 4.152 . 0 0 "[ . 1 . 2]" 2
16 1 20 LEU HA 1 21 GLY H . . 2.980 2.467 2.465 2.471 . 0 0 "[ . 1 . 2]" 2
17 1 10 CYS HA 1 11 LYS H . . 2.960 2.569 2.546 2.586 . 0 0 "[ . 1 . 2]" 2
18 1 29 CYS HA 1 30 ALA H . . 2.870 2.140 2.139 2.141 . 0 0 "[ . 1 . 2]" 2
19 1 29 CYS HB2 1 30 ALA H . . 4.470 4.323 4.312 4.337 . 0 0 "[ . 1 . 2]" 2
20 1 29 CYS HB3 1 30 ALA H . . 3.930 3.553 3.550 3.557 . 0 0 "[ . 1 . 2]" 2
21 1 30 ALA H 1 30 ALA MB . . 3.280 2.283 2.183 2.362 . 0 0 "[ . 1 . 2]" 2
22 1 20 LEU HB3 1 30 ALA H . . 4.190 2.911 2.810 2.974 . 0 0 "[ . 1 . 2]" 2
23 1 13 THR H 1 22 CYS HB2 . . 4.410 4.239 4.209 4.298 . 0 0 "[ . 1 . 2]" 2
24 1 13 THR H 1 13 THR MG . . 3.760 3.733 3.688 3.760 0.000 4 0 "[ . 1 . 2]" 2
25 1 12 THR MG 1 13 THR H . . 3.840 3.582 3.349 3.787 . 0 0 "[ . 1 . 2]" 2
26 1 13 THR H 1 22 CYS HB3 . . 3.730 2.967 2.925 3.038 . 0 0 "[ . 1 . 2]" 2
27 1 12 THR HA 1 13 THR H . . 3.050 2.402 2.354 2.434 . 0 0 "[ . 1 . 2]" 2
28 1 12 THR HB 1 13 THR H . . 2.910 2.393 2.309 2.509 . 0 0 "[ . 1 . 2]" 2
29 1 13 THR H 1 13 THR HB . . 2.890 2.772 2.665 2.896 0.006 15 0 "[ . 1 . 2]" 2
30 1 20 LEU HB2 1 30 ALA H . . 4.730 4.389 4.282 4.452 . 0 0 "[ . 1 . 2]" 2
31 1 20 LEU MD2 1 30 ALA H . . 4.510 3.555 3.464 3.613 . 0 0 "[ . 1 . 2]" 2
32 1 17 CYS H 1 20 LEU MD1 . . 3.490 1.925 1.920 1.930 . 0 0 "[ . 1 . 2]" 2
33 1 6 LEU HG 1 7 PHE H . . 3.980 2.558 2.484 2.739 . 0 0 "[ . 1 . 2]" 2
34 1 6 LEU MD1 1 7 PHE H . . 3.600 3.529 3.462 3.602 0.002 17 0 "[ . 1 . 2]" 2
35 1 4 ARG HB2 1 8 GLY H . . 4.280 4.094 4.041 4.252 . 0 0 "[ . 1 . 2]" 2
36 1 8 GLY H 1 29 CYS HB2 . . 3.790 3.141 3.091 3.155 . 0 0 "[ . 1 . 2]" 2
37 1 17 CYS H 1 17 CYS HB2 . . 3.740 3.642 3.638 3.644 . 0 0 "[ . 1 . 2]" 2
38 1 3 CYS HB2 1 17 CYS H . . 3.950 2.133 2.069 2.164 . 0 0 "[ . 1 . 2]" 2
39 1 16 CYS HB3 1 17 CYS H . . 3.910 2.361 2.339 2.397 . 0 0 "[ . 1 . 2]" 2
40 1 17 CYS H 1 17 CYS HB3 . . 3.250 2.866 2.851 2.893 . 0 0 "[ . 1 . 2]" 2
41 1 17 CYS H 1 20 LEU HB2 . . 3.820 2.868 2.791 2.933 . 0 0 "[ . 1 . 2]" 2
42 1 16 CYS HA 1 17 CYS H . . 2.830 2.508 2.505 2.511 . 0 0 "[ . 1 . 2]" 2
43 1 8 GLY H 1 28 TYR HB2 . . 4.780 3.398 3.226 3.486 . 0 0 "[ . 1 . 2]" 2
44 1 4 ARG HB3 1 8 GLY H . . 4.700 4.338 4.311 4.562 . 0 0 "[ . 1 . 2]" 2
45 1 20 LEU MD2 1 32 ASP H . . 4.170 3.761 3.695 3.983 . 0 0 "[ . 1 . 2]" 2
46 1 20 LEU HG 1 32 ASP H . . 5.000 4.601 4.389 4.756 . 0 0 "[ . 1 . 2]" 2
47 1 30 ALA MB 1 32 ASP H . . 5.370 4.635 4.548 4.676 . 0 0 "[ . 1 . 2]" 2
48 1 4 ARG H 1 4 ARG HG2 . . 3.740 3.241 3.147 3.312 . 0 0 "[ . 1 . 2]" 2
49 1 4 ARG H 1 4 ARG HB2 . . 3.750 2.682 2.671 2.700 . 0 0 "[ . 1 . 2]" 2
50 1 32 ASP H 1 32 ASP HB3 . . 3.670 2.984 2.874 3.043 . 0 0 "[ . 1 . 2]" 2
51 1 32 ASP H 1 32 ASP HB2 . . 3.730 3.202 3.150 3.254 . 0 0 "[ . 1 . 2]" 2
52 1 31 TRP HB2 1 32 ASP H . . 4.730 4.423 4.406 4.446 . 0 0 "[ . 1 . 2]" 2
53 1 4 ARG QD 1 9 GLY H . . 4.750 4.752 4.466 4.784 0.034 5 0 "[ . 1 . 2]" 2
54 1 8 GLY HA3 1 9 GLY H . . 3.310 3.281 3.068 3.349 0.039 4 0 "[ . 1 . 2]" 2
55 1 31 TRP HB3 1 32 ASP H . . 4.450 4.355 4.315 4.384 . 0 0 "[ . 1 . 2]" 2
56 1 28 TYR HA 1 29 CYS H . . 2.920 2.247 2.223 2.264 . 0 0 "[ . 1 . 2]" 2
57 1 4 ARG H 1 16 CYS HA . . 3.210 2.849 2.827 2.881 . 0 0 "[ . 1 . 2]" 2
58 1 20 LEU HA 1 32 ASP H . . 3.370 2.818 2.791 2.865 . 0 0 "[ . 1 . 2]" 2
59 1 31 TRP HA 1 32 ASP H . . 2.940 2.150 2.147 2.158 . 0 0 "[ . 1 . 2]" 2
60 1 3 CYS HA 1 4 ARG H . . 2.880 2.414 2.361 2.460 . 0 0 "[ . 1 . 2]" 2
61 1 4 ARG H 1 4 ARG HG3 . . 3.120 1.983 1.938 2.038 . 0 0 "[ . 1 . 2]" 2
62 1 28 TYR HB2 1 29 CYS H . . 3.090 2.980 2.933 3.054 . 0 0 "[ . 1 . 2]" 2
63 1 29 CYS H 1 29 CYS HB2 . . 3.100 2.511 2.490 2.529 . 0 0 "[ . 1 . 2]" 2
64 1 3 CYS HB2 1 4 ARG H . . 3.740 2.413 2.309 2.536 . 0 0 "[ . 1 . 2]" 2
65 1 6 LEU HA 1 7 PHE H . . 2.890 2.177 2.157 2.187 . 0 0 "[ . 1 . 2]" 2
66 1 8 GLY HA2 1 9 GLY H . . 3.510 3.278 3.206 3.444 . 0 0 "[ . 1 . 2]" 2
67 1 19 HIS H 1 19 HIS HA . . 2.920 2.765 2.764 2.767 . 0 0 "[ . 1 . 2]" 2
68 1 13 THR HA 1 22 CYS H . . 2.930 2.579 2.514 2.654 . 0 0 "[ . 1 . 2]" 2
69 1 22 CYS H 1 22 CYS HB2 . . 3.360 2.265 2.249 2.274 . 0 0 "[ . 1 . 2]" 2
70 1 22 CYS H 1 22 CYS HB3 . . 3.320 2.836 2.823 2.858 . 0 0 "[ . 1 . 2]" 2
71 1 16 CYS HB2 1 22 CYS H . . 4.580 3.019 2.956 3.103 . 0 0 "[ . 1 . 2]" 2
72 1 23 ARG QB 1 25 ASP H . . 3.600 2.482 2.412 2.539 . 0 0 "[ . 1 . 2]" 2
73 1 23 ARG HA 1 25 ASP H . . 4.170 3.856 3.800 3.947 . 0 0 "[ . 1 . 2]" 2
74 1 2 GLU HA 1 3 CYS H . . 3.030 3.025 3.024 3.027 . 0 0 "[ . 1 . 2]" 2
75 1 21 GLY HA2 1 22 CYS H . . 3.240 2.295 2.291 2.303 . 0 0 "[ . 1 . 2]" 2
76 1 4 ARG HB2 1 5 TYR H . . 4.050 3.917 3.050 4.029 . 0 0 "[ . 1 . 2]" 2
77 1 4 ARG HB3 1 5 TYR H . . 4.090 3.146 2.237 3.303 . 0 0 "[ . 1 . 2]" 2
78 1 16 CYS H 1 20 LEU HB2 . . 5.390 5.199 5.163 5.272 . 0 0 "[ . 1 . 2]" 2
79 1 20 LEU H 1 20 LEU HB2 . . 3.530 2.623 2.580 2.648 . 0 0 "[ . 1 . 2]" 2
80 1 20 LEU H 1 20 LEU HB3 . . 3.940 3.713 3.701 3.725 . 0 0 "[ . 1 . 2]" 2
81 1 20 LEU H 1 20 LEU HG . . 3.600 2.588 2.556 2.752 . 0 0 "[ . 1 . 2]" 2
82 1 20 LEU HG 1 31 TRP HE3 . . 3.780 3.227 2.954 3.278 . 0 0 "[ . 1 . 2]" 2
83 1 14 ALA MB 1 15 ASP H . . 3.190 2.868 2.850 2.933 . 0 0 "[ . 1 . 2]" 2
84 1 18 LYS HB3 1 19 HIS H . . 4.000 3.934 3.918 3.949 . 0 0 "[ . 1 . 2]" 2
85 1 13 THR MG 1 22 CYS H . . 3.500 2.881 2.629 3.082 . 0 0 "[ . 1 . 2]" 2
86 1 18 LYS HG2 1 19 HIS H . . 4.380 2.268 2.089 2.457 . 0 0 "[ . 1 . 2]" 2
87 1 18 LYS HG3 1 19 HIS H . . 4.380 2.382 2.208 2.556 . 0 0 "[ . 1 . 2]" 2
88 1 2 GLU HB3 1 3 CYS H . . 4.610 4.331 3.957 4.581 . 0 0 "[ . 1 . 2]" 2
89 1 2 GLU HB2 1 3 CYS H . . 4.610 4.254 3.953 4.509 . 0 0 "[ . 1 . 2]" 2
90 1 3 CYS H 1 3 CYS HB2 . . 3.770 3.671 3.584 3.714 . 0 0 "[ . 1 . 2]" 2
91 1 25 ASP H 1 25 ASP HB2 . . 3.830 2.535 2.256 2.924 . 0 0 "[ . 1 . 2]" 2
92 1 25 ASP H 1 26 LEU HB2 . . 4.940 4.305 4.257 4.367 . 0 0 "[ . 1 . 2]" 2
93 1 5 TYR H 1 5 TYR HB3 . . 3.630 3.436 3.422 3.455 . 0 0 "[ . 1 . 2]" 2
94 1 5 TYR H 1 5 TYR HB2 . . 3.630 2.134 2.116 2.312 . 0 0 "[ . 1 . 2]" 2
95 1 4 ARG HA 1 5 TYR H . . 2.950 2.192 2.154 2.565 . 0 0 "[ . 1 . 2]" 2
96 1 22 CYS HB3 1 23 ARG H . . 4.380 4.165 4.149 4.173 . 0 0 "[ . 1 . 2]" 2
97 1 22 CYS HA 1 23 ARG H . . 2.980 2.139 2.139 2.140 . 0 0 "[ . 1 . 2]" 2
98 1 14 ALA HA 1 16 CYS H . . 4.040 3.913 3.907 3.919 . 0 0 "[ . 1 . 2]" 2
99 1 16 CYS H 1 16 CYS HB3 . . 3.890 3.759 3.757 3.761 . 0 0 "[ . 1 . 2]" 2
100 1 16 CYS H 1 16 CYS HB2 . . 3.000 2.786 2.759 2.837 . 0 0 "[ . 1 . 2]" 2
101 1 17 CYS HB3 1 18 LYS H . . 3.710 3.621 3.584 3.630 . 0 0 "[ . 1 . 2]" 2
102 1 11 LYS QB 1 12 THR H . . 3.320 2.659 2.623 2.725 . 0 0 "[ . 1 . 2]" 2
103 1 18 LYS H 1 18 LYS HB3 . . 3.030 2.580 2.554 2.618 . 0 0 "[ . 1 . 2]" 2
104 1 17 CYS H 1 29 CYS HB3 . . 5.150 4.772 4.702 4.938 . 0 0 "[ . 1 . 2]" 2
105 1 17 CYS H 1 20 LEU HB3 . . 4.660 4.510 4.424 4.597 . 0 0 "[ . 1 . 2]" 2
106 1 4 ARG HB2 1 9 GLY H . . 5.330 5.355 5.317 5.381 0.051 6 0 "[ . 1 . 2]" 2
107 1 7 PHE H 1 8 GLY HA2 . . 5.220 5.203 5.170 5.211 . 0 0 "[ . 1 . 2]" 2
108 1 23 ARG HA 1 23 ARG HE . . 4.750 4.057 3.739 4.534 . 0 0 "[ . 1 . 2]" 2
109 1 10 CYS H 1 28 TYR HA . . 3.410 2.271 2.236 2.292 . 0 0 "[ . 1 . 2]" 2
110 1 18 LYS HA 1 20 LEU H . . 3.940 3.948 3.943 3.953 0.013 18 0 "[ . 1 . 2]" 2
111 1 23 ARG HA 1 24 THR H . . 3.320 2.236 2.228 2.264 . 0 0 "[ . 1 . 2]" 2
112 1 34 THR HA 1 35 PHE H . . 3.210 2.196 2.141 2.338 . 0 0 "[ . 1 . 2]" 2
113 1 31 TRP HB3 1 31 TRP HD1 . . 3.800 2.804 2.770 2.823 . 0 0 "[ . 1 . 2]" 2
114 1 19 HIS HB3 1 31 TRP HD1 . . 5.500 5.505 5.502 5.510 0.010 16 0 "[ . 1 . 2]" 2
115 1 31 TRP HA 1 31 TRP HD1 . . 4.080 3.891 3.859 3.903 . 0 0 "[ . 1 . 2]" 2
116 1 20 LEU H 1 20 LEU MD2 . . 4.600 3.957 3.925 4.129 . 0 0 "[ . 1 . 2]" 2
117 1 20 LEU MD2 1 31 TRP HE3 . . 3.970 1.923 1.894 1.957 . 0 0 "[ . 1 . 2]" 2
118 1 20 LEU MD2 1 31 TRP HD1 . . 4.900 4.694 4.644 4.879 . 0 0 "[ . 1 . 2]" 2
119 1 34 THR MG 1 35 PHE H . . 4.410 3.826 3.590 4.044 . 0 0 "[ . 1 . 2]" 2
120 1 26 LEU H 1 26 LEU HB2 . . 4.130 2.292 2.268 2.343 . 0 0 "[ . 1 . 2]" 2
121 1 20 LEU MD1 1 31 TRP HE3 . . 4.570 3.219 3.098 3.264 . 0 0 "[ . 1 . 2]" 2
122 1 5 TYR QD 1 20 LEU MD2 . . 5.070 3.967 3.850 4.055 . 0 0 "[ . 1 . 2]" 2
123 1 20 LEU MD2 1 31 TRP HZ3 . . 5.240 3.762 3.664 3.829 . 0 0 "[ . 1 . 2]" 2
124 1 6 LEU MD1 1 28 TYR QD . . 4.490 3.844 3.721 3.993 . 0 0 "[ . 1 . 2]" 2
125 1 20 LEU MD1 1 31 TRP HZ3 . . 3.820 3.684 3.192 3.787 . 0 0 "[ . 1 . 2]" 2
126 1 6 LEU MD1 1 7 PHE QE . . 4.130 4.120 4.014 4.134 0.004 3 0 "[ . 1 . 2]" 2
127 1 6 LEU HG 1 7 PHE QE . . 3.570 3.523 3.286 3.574 0.004 6 0 "[ . 1 . 2]" 2
128 1 17 CYS H 1 20 LEU HG . . 5.180 3.909 3.835 4.226 . 0 0 "[ . 1 . 2]" 2
129 1 6 LEU HG 1 8 GLY H . . 5.350 5.231 5.116 5.358 0.008 18 0 "[ . 1 . 2]" 2
130 1 4 ARG HB3 1 9 GLY H . . 5.500 5.389 5.363 5.523 0.023 18 0 "[ . 1 . 2]" 2
131 1 23 ARG HE 1 26 LEU HB2 . . 5.030 4.006 3.559 4.272 . 0 0 "[ . 1 . 2]" 2
132 1 5 TYR H 1 8 GLY HA3 . . 4.710 4.205 3.467 4.290 . 0 0 "[ . 1 . 2]" 2
133 1 9 GLY H 1 28 TYR HA . . 4.740 3.224 2.909 3.346 . 0 0 "[ . 1 . 2]" 2
134 1 19 HIS H 1 20 LEU HA . . 5.500 5.364 5.362 5.366 . 0 0 "[ . 1 . 2]" 2
135 1 20 LEU HA 1 22 CYS H . . 5.500 5.524 5.502 5.532 0.032 18 0 "[ . 1 . 2]" 2
136 1 21 GLY HA3 1 30 ALA H . . 4.940 3.887 3.724 3.990 . 0 0 "[ . 1 . 2]" 2
137 1 16 CYS HB3 1 30 ALA H . . 5.440 5.164 5.103 5.208 . 0 0 "[ . 1 . 2]" 2
138 1 20 LEU HA 1 30 ALA H . . 4.570 3.965 3.937 3.992 . 0 0 "[ . 1 . 2]" 2
139 1 13 THR H 1 15 ASP HB2 . . 5.420 5.385 5.370 5.396 . 0 0 "[ . 1 . 2]" 2
140 1 18 LYS QE 1 19 HIS HE1 . . 4.740 3.991 3.783 4.402 . 0 0 "[ . 1 . 2]" 2
141 1 19 HIS H 1 19 HIS HB2 . . 3.720 2.597 2.548 2.635 . 0 0 "[ . 1 . 2]" 2
142 1 20 LEU HA 1 31 TRP HE3 . . 5.500 5.097 4.925 5.212 . 0 0 "[ . 1 . 2]" 2
143 1 9 GLY HA2 1 10 CYS H . . 2.930 2.695 2.688 2.709 . 0 0 "[ . 1 . 2]" 2
144 1 31 TRP HA 1 31 TRP HE3 . . 3.820 3.640 3.561 3.696 . 0 0 "[ . 1 . 2]" 2
145 1 18 LYS H 1 18 LYS HG3 . . 4.190 3.471 3.327 3.593 . 0 0 "[ . 1 . 2]" 2
146 1 18 LYS H 1 20 LEU MD1 . . 5.500 5.461 5.335 5.494 . 0 0 "[ . 1 . 2]" 2
147 1 5 TYR H 1 20 LEU MD1 . . 5.120 4.509 4.428 4.612 . 0 0 "[ . 1 . 2]" 2
148 1 26 LEU HB3 1 28 TYR QD . . 3.320 2.107 2.039 2.199 . 0 0 "[ . 1 . 2]" 2
149 1 6 LEU HG 1 28 TYR QD . . 4.040 2.966 2.836 3.202 . 0 0 "[ . 1 . 2]" 2
150 1 23 ARG QB 1 28 TYR QD . . 3.400 2.621 2.370 2.846 . 0 0 "[ . 1 . 2]" 2
151 1 26 LEU HB2 1 28 TYR QD . . 3.500 2.315 2.246 2.362 . 0 0 "[ . 1 . 2]" 2
152 1 11 LYS QB 1 27 TYR QD . . 4.670 4.361 3.936 4.647 . 0 0 "[ . 1 . 2]" 2
153 1 26 LEU HB2 1 28 TYR QE . . 3.540 2.712 2.621 2.773 . 0 0 "[ . 1 . 2]" 2
154 1 23 ARG HD3 1 28 TYR QE . . 3.970 2.365 2.183 2.804 . 0 0 "[ . 1 . 2]" 2
155 1 24 THR HA 1 27 TYR QE . . 4.130 2.229 2.144 2.285 . 0 0 "[ . 1 . 2]" 2
156 1 11 LYS QE 1 27 TYR QE . . 4.910 3.643 2.016 4.903 . 0 0 "[ . 1 . 2]" 2
157 1 27 TYR HA 1 27 TYR QE . . 4.410 4.248 4.232 4.265 . 0 0 "[ . 1 . 2]" 2
158 1 11 LYS HA 1 27 TYR QE . . 3.860 3.647 3.355 3.790 . 0 0 "[ . 1 . 2]" 2
159 1 24 THR HB 1 27 TYR QE . . 4.000 3.360 2.892 4.003 0.003 8 0 "[ . 1 . 2]" 2
160 1 22 CYS HA 1 28 TYR H . . 4.430 3.441 3.274 3.477 . 0 0 "[ . 1 . 2]" 2
161 1 7 PHE HA 1 28 TYR QD . . 3.220 2.264 2.148 2.349 . 0 0 "[ . 1 . 2]" 2
162 1 27 TYR HA 1 27 TYR QD . . 3.240 2.347 2.305 2.398 . 0 0 "[ . 1 . 2]" 2
163 1 24 THR HA 1 27 TYR QD . . 4.210 2.533 2.440 2.615 . 0 0 "[ . 1 . 2]" 2
164 1 6 LEU HA 1 28 TYR QD . . 4.210 3.840 3.785 3.973 . 0 0 "[ . 1 . 2]" 2
165 1 5 TYR QD 1 6 LEU HA . . 4.980 4.934 4.904 4.957 . 0 0 "[ . 1 . 2]" 2
166 1 21 GLY HA3 1 35 PHE QE . . 4.200 2.211 1.996 2.955 . 0 0 "[ . 1 . 2]" 2
167 1 19 HIS HA 1 19 HIS HD2 . . 4.230 2.992 2.466 3.951 . 0 0 "[ . 1 . 2]" 2
168 1 11 LYS HA 1 27 TYR QD . . 3.470 3.285 2.847 3.452 . 0 0 "[ . 1 . 2]" 2
169 1 5 TYR HA 1 5 TYR QE . . 4.670 4.290 4.280 4.352 . 0 0 "[ . 1 . 2]" 2
170 1 28 TYR HA 1 28 TYR QD . . 4.020 3.682 3.669 3.690 . 0 0 "[ . 1 . 2]" 2
171 1 5 TYR HA 1 6 LEU H . . 3.520 2.483 2.481 2.487 . 0 0 "[ . 1 . 2]" 2
172 1 6 LEU H 1 6 LEU HB3 . . 3.270 2.910 2.875 2.957 . 0 0 "[ . 1 . 2]" 2
173 1 6 LEU HB3 1 7 PHE QD . . 3.660 3.009 2.877 3.175 . 0 0 "[ . 1 . 2]" 2
174 1 4 ARG HB3 1 4 ARG HE . . 4.350 2.973 2.502 3.263 . 0 0 "[ . 1 . 2]" 2
175 1 18 LYS HB2 1 19 HIS HD2 . . 4.670 4.210 3.940 4.675 0.005 7 0 "[ . 1 . 2]" 2
176 1 30 ALA MB 1 35 PHE QE . . 4.460 3.869 3.192 4.436 . 0 0 "[ . 1 . 2]" 2
177 1 18 LYS HB3 1 19 HIS HD2 . . 5.040 4.907 4.749 5.014 . 0 0 "[ . 1 . 2]" 2
178 1 19 HIS HB3 1 31 TRP HZ3 . . 4.630 4.589 4.521 4.617 . 0 0 "[ . 1 . 2]" 2
179 1 21 GLY HA3 1 35 PHE HZ . . 3.880 2.483 2.008 3.715 . 0 0 "[ . 1 . 2]" 2
180 1 19 HIS HB2 1 31 TRP HZ3 . . 4.280 4.276 4.194 4.290 0.010 5 0 "[ . 1 . 2]" 2
181 1 5 TYR HA 1 5 TYR QD . . 3.200 2.490 2.466 2.660 . 0 0 "[ . 1 . 2]" 2
182 1 4 ARG HA 1 5 TYR QD . . 4.850 4.806 4.358 4.849 . 0 0 "[ . 1 . 2]" 2
183 1 35 PHE HA 1 35 PHE QD . . 3.940 2.516 2.099 3.723 . 0 0 "[ . 1 . 2]" 2
184 1 7 PHE HA 1 28 TYR QE . . 4.630 4.551 4.434 4.633 0.003 1 0 "[ . 1 . 2]" 2
185 1 6 LEU H 1 31 TRP HB2 . . 3.910 3.918 3.821 3.927 0.017 19 0 "[ . 1 . 2]" 2
186 1 28 TYR H 1 28 TYR HB3 . . 4.040 3.176 3.161 3.195 . 0 0 "[ . 1 . 2]" 2
187 1 27 TYR HB3 1 28 TYR H . . 4.540 4.315 4.314 4.317 . 0 0 "[ . 1 . 2]" 2
188 1 7 PHE HA 1 7 PHE QD . . 3.110 2.674 2.494 2.862 . 0 0 "[ . 1 . 2]" 2
189 1 27 TYR HA 1 28 TYR H . . 3.190 2.605 2.602 2.607 . 0 0 "[ . 1 . 2]" 2
190 1 26 LEU HB2 1 28 TYR H . . 4.790 3.622 3.541 3.667 . 0 0 "[ . 1 . 2]" 2
191 1 22 CYS HB2 1 28 TYR H . . 5.500 5.494 5.265 5.523 0.023 14 0 "[ . 1 . 2]" 2
192 1 23 ARG HD3 1 28 TYR H . . 5.500 5.087 4.937 5.431 . 0 0 "[ . 1 . 2]" 2
193 1 26 LEU HB3 1 28 TYR QE . . 3.350 2.979 2.896 3.020 . 0 0 "[ . 1 . 2]" 2
194 1 26 LEU HB3 1 28 TYR H . . 4.440 3.847 3.784 3.916 . 0 0 "[ . 1 . 2]" 2
195 1 23 ARG QB 1 28 TYR QE . . 3.240 3.103 2.791 3.241 0.001 19 0 "[ . 1 . 2]" 2
196 1 28 TYR QE 1 30 ALA MB . . 3.610 3.061 2.981 3.203 . 0 0 "[ . 1 . 2]" 2
197 1 6 LEU H 1 6 LEU HB2 . . 3.300 2.198 2.179 2.223 . 0 0 "[ . 1 . 2]" 2
198 1 6 LEU H 1 20 LEU MD2 . . 4.340 3.404 3.283 3.487 . 0 0 "[ . 1 . 2]" 2
199 1 18 LYS QE 1 19 HIS HD2 . . 5.060 3.030 2.632 3.962 . 0 0 "[ . 1 . 2]" 2
200 1 31 TRP HD1 1 32 ASP HB2 . . 5.370 5.106 5.018 5.250 . 0 0 "[ . 1 . 2]" 2
201 1 26 LEU HA 1 28 TYR QE . . 5.290 5.214 5.136 5.262 . 0 0 "[ . 1 . 2]" 2
202 1 15 ASP H 1 22 CYS HB2 . . 5.460 4.219 4.198 4.259 . 0 0 "[ . 1 . 2]" 2
203 1 23 ARG QB 1 23 ARG HE . . 3.280 2.465 2.003 2.658 . 0 0 "[ . 1 . 2]" 2
204 1 27 TYR H 1 27 TYR HA . . 2.890 2.274 2.273 2.275 . 0 0 "[ . 1 . 2]" 2
205 1 27 TYR H 1 27 TYR HB2 . . 4.130 3.269 3.266 3.272 . 0 0 "[ . 1 . 2]" 2
206 1 13 THR HA 1 15 ASP H . . 4.110 3.849 3.775 3.877 . 0 0 "[ . 1 . 2]" 2
207 1 31 TRP HB3 1 31 TRP HE3 . . 4.020 3.986 3.966 4.019 . 0 0 "[ . 1 . 2]" 2
208 1 19 HIS HB3 1 31 TRP HE3 . . 4.550 4.545 4.481 4.565 0.015 18 0 "[ . 1 . 2]" 2
209 1 16 CYS HB2 1 20 LEU H . . 4.960 4.452 4.299 4.530 . 0 0 "[ . 1 . 2]" 2
210 1 11 LYS QD 1 27 TYR QE . . 5.020 3.191 2.138 4.774 . 0 0 "[ . 1 . 2]" 2
211 1 11 LYS QB 1 27 TYR QE . . 5.070 3.603 3.071 3.974 . 0 0 "[ . 1 . 2]" 2
212 1 7 PHE H 1 7 PHE QD . . 3.710 3.537 3.387 3.632 . 0 0 "[ . 1 . 2]" 2
213 1 23 ARG H 1 30 ALA H . . 4.460 4.318 4.245 4.402 . 0 0 "[ . 1 . 2]" 2
214 1 13 THR H 1 14 ALA H . . 3.360 2.700 2.643 2.762 . 0 0 "[ . 1 . 2]" 2
215 1 17 CYS H 1 18 LYS H . . 4.530 4.536 4.520 4.539 0.009 1 0 "[ . 1 . 2]" 2
216 1 17 CYS HB2 1 18 LYS H . . 2.900 2.217 2.164 2.233 . 0 0 "[ . 1 . 2]" 2
217 1 10 CYS HB2 1 12 THR H . . 3.450 3.198 2.926 3.281 . 0 0 "[ . 1 . 2]" 2
218 1 12 THR H 1 15 ASP HB2 . . 3.640 2.846 2.816 3.011 . 0 0 "[ . 1 . 2]" 2
219 1 10 CYS H 1 27 TYR HB3 . . 4.840 4.732 4.583 4.832 . 0 0 "[ . 1 . 2]" 2
220 1 10 CYS H 1 28 TYR HB3 . . 4.610 4.493 4.427 4.523 . 0 0 "[ . 1 . 2]" 2
221 1 15 ASP H 1 15 ASP HB2 . . 2.910 2.474 2.420 2.490 . 0 0 "[ . 1 . 2]" 2
222 1 24 THR HA 1 27 TYR H . . 3.950 3.905 3.823 3.979 0.029 18 0 "[ . 1 . 2]" 2
223 1 10 CYS HB2 1 15 ASP H . . 4.400 4.358 4.241 4.381 . 0 0 "[ . 1 . 2]" 2
224 1 10 CYS H 1 10 CYS HB3 . . 3.770 2.601 2.563 2.790 . 0 0 "[ . 1 . 2]" 2
225 1 18 LYS H 1 18 LYS HG2 . . 4.190 2.027 1.950 2.101 . 0 0 "[ . 1 . 2]" 2
226 1 18 LYS H 1 18 LYS HB2 . . 3.720 3.591 3.589 3.593 . 0 0 "[ . 1 . 2]" 2
227 1 18 LYS H 1 18 LYS QD . . 3.560 3.379 3.156 3.552 . 0 0 "[ . 1 . 2]" 2
228 1 12 THR H 1 12 THR MG . . 3.610 3.076 2.788 3.342 . 0 0 "[ . 1 . 2]" 2
229 1 6 LEU MD1 1 7 PHE QD . . 4.820 4.061 3.831 4.299 . 0 0 "[ . 1 . 2]" 2
230 1 6 LEU HG 1 7 PHE QD . . 3.300 2.675 2.285 3.014 . 0 0 "[ . 1 . 2]" 2
231 1 23 ARG H 1 23 ARG HG3 . . 3.390 3.019 2.921 3.152 . 0 0 "[ . 1 . 2]" 2
232 1 23 ARG H 1 23 ARG QB . . 3.170 2.228 2.159 2.274 . 0 0 "[ . 1 . 2]" 2
233 1 19 HIS HB2 1 19 HIS HD2 . . 3.830 3.523 2.941 3.840 0.010 3 0 "[ . 1 . 2]" 2
234 1 7 PHE HA 1 7 PHE QE . . 4.700 4.478 4.450 4.500 . 0 0 "[ . 1 . 2]" 2
235 1 31 TRP HB2 1 31 TRP HE3 . . 3.900 2.442 2.432 2.463 . 0 0 "[ . 1 . 2]" 2
236 1 14 ALA H 1 15 ASP HB2 . . 4.900 4.876 4.854 4.893 . 0 0 "[ . 1 . 2]" 2
237 1 23 ARG HD3 1 28 TYR QD . . 4.670 3.675 3.475 4.109 . 0 0 "[ . 1 . 2]" 2
238 1 6 LEU MD1 1 28 TYR QE . . 5.120 2.757 2.637 2.928 . 0 0 "[ . 1 . 2]" 2
239 1 28 TYR HA 1 29 CYS HB2 . . 5.500 4.753 4.737 4.767 . 0 0 "[ . 1 . 2]" 2
240 1 10 CYS HB3 1 28 TYR HA . . 4.690 3.862 3.743 4.198 . 0 0 "[ . 1 . 2]" 2
241 1 7 PHE HA 1 28 TYR HA . . 4.190 3.928 3.873 4.059 . 0 0 "[ . 1 . 2]" 2
242 1 9 GLY HA2 1 28 TYR HA . . 3.710 3.738 3.714 3.754 0.044 6 0 "[ . 1 . 2]" 2
243 1 6 LEU MD1 1 7 PHE HA . . 5.470 5.291 5.216 5.366 . 0 0 "[ . 1 . 2]" 2
244 1 6 LEU MD1 1 31 TRP HB3 . . 4.970 2.401 2.302 2.522 . 0 0 "[ . 1 . 2]" 2
245 1 6 LEU HB2 1 31 TRP HB3 . . 4.460 3.856 3.796 3.998 . 0 0 "[ . 1 . 2]" 2
246 1 4 ARG HB2 1 8 GLY HA3 . . 3.680 2.740 2.626 2.918 . 0 0 "[ . 1 . 2]" 2
247 1 4 ARG HB3 1 8 GLY HA3 . . 4.010 2.247 2.196 2.583 . 0 0 "[ . 1 . 2]" 2
248 1 16 CYS HB3 1 20 LEU MD2 . . 4.780 3.919 3.739 3.958 . 0 0 "[ . 1 . 2]" 2
249 1 20 LEU MD1 1 31 TRP HB2 . . 4.640 4.411 4.370 4.552 . 0 0 "[ . 1 . 2]" 2
250 1 23 ARG QB 1 24 THR HA . . 4.680 4.398 4.377 4.406 . 0 0 "[ . 1 . 2]" 2
251 1 16 CYS HB2 1 20 LEU MD1 . . 4.360 3.406 3.338 3.465 . 0 0 "[ . 1 . 2]" 2
252 1 20 LEU MD1 1 29 CYS HB2 . . 4.280 3.012 2.959 3.380 . 0 0 "[ . 1 . 2]" 2
253 1 20 LEU HB3 1 29 CYS HB2 . . 4.120 3.733 3.679 3.780 . 0 0 "[ . 1 . 2]" 2
254 1 16 CYS HB2 1 20 LEU HB3 . . 4.020 3.619 3.531 3.773 . 0 0 "[ . 1 . 2]" 2
255 1 20 LEU HG 1 29 CYS HB3 . . 4.740 3.999 3.949 4.034 . 0 0 "[ . 1 . 2]" 2
256 1 20 LEU HB2 1 29 CYS HB3 . . 4.080 2.943 2.840 2.976 . 0 0 "[ . 1 . 2]" 2
257 1 16 CYS HB2 1 20 LEU HB2 . . 3.620 2.521 2.424 2.628 . 0 0 "[ . 1 . 2]" 2
258 1 23 ARG QB 1 27 TYR H . . 3.750 2.586 2.480 2.729 . 0 0 "[ . 1 . 2]" 2
259 1 26 LEU HB3 1 27 TYR H . . 3.780 3.598 3.555 3.647 . 0 0 "[ . 1 . 2]" 2
260 1 26 LEU HB2 1 27 TYR H . . 4.330 2.854 2.801 2.902 . 0 0 "[ . 1 . 2]" 2
261 1 18 LYS HB2 1 19 HIS H . . 4.530 3.586 3.533 3.637 . 0 0 "[ . 1 . 2]" 2
262 1 17 CYS HA 1 18 LYS H . . 2.880 2.503 2.495 2.529 . 0 0 "[ . 1 . 2]" 2
263 1 31 TRP HA 1 33 GLY H . . 4.220 4.199 4.010 4.231 0.011 16 0 "[ . 1 . 2]" 2
264 1 7 PHE HA 1 28 TYR HB2 . . 3.580 1.988 1.978 1.994 . 0 0 "[ . 1 . 2]" 2
265 1 13 THR HA 1 22 CYS HB2 . . 3.050 2.300 2.280 2.315 . 0 0 "[ . 1 . 2]" 2
266 1 13 THR HA 1 22 CYS HB3 . . 3.310 2.049 2.029 2.075 . 0 0 "[ . 1 . 2]" 2
267 1 17 CYS HB2 1 18 LYS HB3 . . 4.960 4.639 4.556 4.696 . 0 0 "[ . 1 . 2]" 2
268 1 16 CYS HB3 1 29 CYS HB3 . . 4.060 2.809 2.792 2.883 . 0 0 "[ . 1 . 2]" 2
269 1 16 CYS HB3 1 20 LEU HB2 . . 3.270 1.963 1.957 1.969 . 0 0 "[ . 1 . 2]" 2
270 1 13 THR MG 1 16 CYS HB2 . . 4.590 3.752 3.635 3.805 . 0 0 "[ . 1 . 2]" 2
271 1 26 LEU HB3 1 28 TYR HB3 . . 4.580 3.479 3.429 3.555 . 0 0 "[ . 1 . 2]" 2
272 1 2 GLU HG2 1 3 CYS H . . 5.500 4.728 3.646 5.393 . 0 0 "[ . 1 . 2]" 2
273 1 2 GLU HG3 1 3 CYS H . . 5.500 4.658 3.610 5.463 . 0 0 "[ . 1 . 2]" 2
274 1 6 LEU HB3 1 20 LEU MD2 . . 5.260 5.195 5.066 5.266 0.006 7 0 "[ . 1 . 2]" 2
275 1 11 LYS QB 1 12 THR MG . . 4.150 2.766 2.451 3.119 . 0 0 "[ . 1 . 2]" 2
276 1 16 CYS HB3 1 20 LEU HB3 . . 3.560 3.030 2.954 3.125 . 0 0 "[ . 1 . 2]" 2
277 1 13 THR MG 1 16 CYS HB3 . . 5.350 5.278 5.182 5.320 . 0 0 "[ . 1 . 2]" 2
278 1 10 CYS HB2 1 11 LYS QB . . 4.760 4.637 4.526 4.727 . 0 0 "[ . 1 . 2]" 2
279 1 10 CYS HB2 1 22 CYS HB3 . . 4.840 4.668 4.600 4.700 . 0 0 "[ . 1 . 2]" 2
280 1 20 LEU HB2 1 29 CYS HB2 . . 4.720 4.692 4.593 4.723 0.003 4 0 "[ . 1 . 2]" 2
281 1 19 HIS HB2 1 31 TRP HE3 . . 4.600 4.506 4.436 4.589 . 0 0 "[ . 1 . 2]" 2
282 1 31 TRP HB2 1 31 TRP HZ3 . . 5.010 4.854 4.846 4.870 . 0 0 "[ . 1 . 2]" 2
283 1 29 CYS HA 1 31 TRP H . . 5.500 5.402 5.389 5.429 . 0 0 "[ . 1 . 2]" 2
284 1 31 TRP HD1 1 32 ASP H . . 3.940 3.929 3.891 3.953 0.013 18 0 "[ . 1 . 2]" 2
285 1 7 PHE H 1 28 TYR QD . . 3.310 1.990 1.943 2.122 . 0 0 "[ . 1 . 2]" 2
286 1 8 GLY H 1 28 TYR QD . . 4.640 4.054 3.948 4.128 . 0 0 "[ . 1 . 2]" 2
287 1 7 PHE H 1 28 TYR QE . . 4.030 3.599 3.500 3.685 . 0 0 "[ . 1 . 2]" 2
288 1 7 PHE QD 1 8 GLY H . . 4.960 4.942 4.876 4.976 0.016 11 0 "[ . 1 . 2]" 2
289 1 21 GLY H 1 35 PHE QE . . 4.490 3.923 3.563 4.471 . 0 0 "[ . 1 . 2]" 2
290 1 21 GLY H 1 35 PHE HZ . . 4.940 3.679 2.827 4.942 0.002 17 0 "[ . 1 . 2]" 2
291 1 11 LYS H 1 15 ASP H . . 4.720 4.644 4.586 4.766 0.046 18 0 "[ . 1 . 2]" 2
292 1 34 THR H 1 35 PHE H . . 4.560 4.337 4.112 4.480 . 0 0 "[ . 1 . 2]" 2
293 1 10 CYS H 1 28 TYR H . . 4.940 4.681 4.631 4.713 . 0 0 "[ . 1 . 2]" 2
294 1 6 LEU MD2 1 7 PHE H . . 4.460 4.054 3.977 4.227 . 0 0 "[ . 1 . 2]" 2
295 1 20 LEU MD2 1 31 TRP H . . 4.230 2.602 2.515 2.706 . 0 0 "[ . 1 . 2]" 2
296 1 6 LEU MD2 1 7 PHE QD . . 4.110 2.032 1.933 2.193 . 0 0 "[ . 1 . 2]" 2
297 1 6 LEU H 1 6 LEU MD1 . . 3.740 3.604 3.561 3.660 . 0 0 "[ . 1 . 2]" 2
298 1 6 LEU MD1 1 31 TRP HD1 . . 4.930 4.749 4.639 4.850 . 0 0 "[ . 1 . 2]" 2
299 1 6 LEU MD2 1 7 PHE QE . . 4.710 2.078 1.970 2.439 . 0 0 "[ . 1 . 2]" 2
300 1 6 LEU MD1 1 31 TRP H . . 4.040 1.890 1.853 1.990 . 0 0 "[ . 1 . 2]" 2
301 1 20 LEU H 1 20 LEU MD1 . . 3.980 3.274 3.041 3.337 . 0 0 "[ . 1 . 2]" 2
302 1 6 LEU HB3 1 7 PHE H . . 5.090 3.878 3.846 3.930 . 0 0 "[ . 1 . 2]" 2
303 1 24 THR MG 1 25 ASP H . . 4.180 3.505 2.440 3.992 . 0 0 "[ . 1 . 2]" 2
304 1 24 THR H 1 24 THR MG . . 3.330 2.244 2.062 2.482 . 0 0 "[ . 1 . 2]" 2
305 1 24 THR MG 1 26 LEU H . . 5.500 5.149 4.345 5.502 0.002 5 0 "[ . 1 . 2]" 2
306 1 24 THR MG 1 27 TYR H . . 5.500 5.233 5.095 5.323 . 0 0 "[ . 1 . 2]" 2
307 1 24 THR MG 1 27 TYR QD . . 4.600 4.540 4.485 4.599 . 0 0 "[ . 1 . 2]" 2
308 1 24 THR MG 1 27 TYR QE . . 4.030 3.889 3.747 4.085 0.055 13 0 "[ . 1 . 2]" 2
309 1 23 ARG HG2 1 24 THR H . . 4.190 3.719 3.492 3.833 . 0 0 "[ . 1 . 2]" 2
310 1 23 ARG QB 1 24 THR H . . 3.470 2.881 2.840 2.902 . 0 0 "[ . 1 . 2]" 2
311 1 30 ALA MB 1 31 TRP H . . 3.510 3.471 3.456 3.485 . 0 0 "[ . 1 . 2]" 2
312 1 14 ALA H 1 14 ALA MB . . 2.870 2.192 2.051 2.235 . 0 0 "[ . 1 . 2]" 2
313 1 12 THR MG 1 15 ASP H . . 5.180 4.706 4.569 4.842 . 0 0 "[ . 1 . 2]" 2
314 1 23 ARG HG2 1 26 LEU H . . 5.500 4.564 4.385 4.724 . 0 0 "[ . 1 . 2]" 2
315 1 13 THR MG 1 14 ALA H . . 4.190 3.877 3.729 3.996 . 0 0 "[ . 1 . 2]" 2
316 1 4 ARG HG2 1 5 TYR H . . 4.880 4.649 4.326 4.713 . 0 0 "[ . 1 . 2]" 2
317 1 18 LYS QD 1 19 HIS H . . 5.030 4.131 4.069 4.157 . 0 0 "[ . 1 . 2]" 2
318 1 22 CYS HB2 1 23 ARG H . . 4.920 4.454 4.451 4.461 . 0 0 "[ . 1 . 2]" 2
319 1 23 ARG H 1 23 ARG HD3 . . 5.320 4.510 4.319 4.706 . 0 0 "[ . 1 . 2]" 2
320 1 7 PHE QD 1 28 TYR HB3 . . 4.050 3.805 3.474 4.051 0.001 2 0 "[ . 1 . 2]" 2
321 1 7 PHE QD 1 28 TYR HB2 . . 4.100 3.439 3.052 3.669 . 0 0 "[ . 1 . 2]" 2
322 1 25 ASP H 1 25 ASP HB3 . . 3.830 3.079 2.392 3.670 . 0 0 "[ . 1 . 2]" 2
323 1 7 PHE H 1 28 TYR HB2 . . 3.850 3.105 3.034 3.238 . 0 0 "[ . 1 . 2]" 2
324 1 16 CYS HB2 1 17 CYS H . . 4.230 3.127 3.060 3.163 . 0 0 "[ . 1 . 2]" 2
325 1 6 LEU HA 1 20 LEU MD2 . . 3.660 3.318 3.206 3.373 . 0 0 "[ . 1 . 2]" 2
326 1 20 LEU MD2 1 31 TRP HB2 . . 4.300 1.941 1.925 1.972 . 0 0 "[ . 1 . 2]" 2
327 1 20 LEU MD2 1 29 CYS HB2 . . 4.320 3.018 2.774 3.105 . 0 0 "[ . 1 . 2]" 2
328 1 20 LEU MD2 1 29 CYS HB3 . . 4.020 2.363 1.952 2.429 . 0 0 "[ . 1 . 2]" 2
329 1 20 LEU HA 1 20 LEU MD2 . . 3.640 2.674 2.630 2.898 . 0 0 "[ . 1 . 2]" 2
330 1 20 LEU MD2 1 31 TRP HA . . 3.510 1.999 1.935 2.109 . 0 0 "[ . 1 . 2]" 2
331 1 20 LEU MD2 1 30 ALA HA . . 4.140 3.603 3.495 3.686 . 0 0 "[ . 1 . 2]" 2
332 1 5 TYR HA 1 20 LEU MD2 . . 4.750 3.066 2.682 3.154 . 0 0 "[ . 1 . 2]" 2
333 1 6 LEU MD1 1 29 CYS HA . . 5.500 5.359 5.263 5.499 . 0 0 "[ . 1 . 2]" 2
334 1 6 LEU MD1 1 30 ALA HA . . 3.410 2.180 2.091 2.284 . 0 0 "[ . 1 . 2]" 2
335 1 6 LEU MD2 1 30 ALA HA . . 5.000 4.762 4.699 4.895 . 0 0 "[ . 1 . 2]" 2
336 1 6 LEU HA 1 6 LEU MD2 . . 4.160 3.822 3.805 3.835 . 0 0 "[ . 1 . 2]" 2
337 1 6 LEU HA 1 6 LEU MD1 . . 3.300 2.620 2.511 2.671 . 0 0 "[ . 1 . 2]" 2
338 1 6 LEU MD1 1 31 TRP HB2 . . 4.610 2.730 2.608 2.828 . 0 0 "[ . 1 . 2]" 2
339 1 6 LEU HA 1 6 LEU HG . . 3.260 2.562 2.522 2.588 . 0 0 "[ . 1 . 2]" 2
340 1 16 CYS HB3 1 20 LEU MD1 . . 3.570 2.044 2.005 2.095 . 0 0 "[ . 1 . 2]" 2
341 1 16 CYS HA 1 20 LEU MD1 . . 4.350 3.152 3.123 3.214 . 0 0 "[ . 1 . 2]" 2
342 1 20 LEU MD1 1 29 CYS HA . . 4.440 4.098 4.062 4.374 . 0 0 "[ . 1 . 2]" 2
343 1 6 LEU HG 1 30 ALA HA . . 4.260 4.035 3.936 4.151 . 0 0 "[ . 1 . 2]" 2
344 1 5 TYR HA 1 20 LEU MD1 . . 3.410 3.288 3.163 3.424 0.014 18 0 "[ . 1 . 2]" 2
345 1 4 ARG HG2 1 16 CYS HA . . 5.500 5.545 5.536 5.572 0.072 18 0 "[ . 1 . 2]" 2
346 1 4 ARG HB2 1 16 CYS HA . . 4.670 4.502 4.465 4.641 . 0 0 "[ . 1 . 2]" 2
347 1 20 LEU HA 1 20 LEU HG . . 4.140 2.921 2.784 2.946 . 0 0 "[ . 1 . 2]" 2
348 1 20 LEU HB3 1 29 CYS HA . . 4.440 3.012 2.964 3.033 . 0 0 "[ . 1 . 2]" 2
349 1 23 ARG HA 1 24 THR MG . . 4.010 3.683 3.394 4.023 0.013 8 0 "[ . 1 . 2]" 2
350 1 34 THR HA 1 34 THR MG . . 3.340 2.239 2.111 2.426 . 0 0 "[ . 1 . 2]" 2
351 1 23 ARG HA 1 23 ARG HG2 . . 3.760 2.320 2.227 2.433 . 0 0 "[ . 1 . 2]" 2
352 1 13 THR HA 1 13 THR MG . . 2.980 2.191 2.070 2.291 . 0 0 "[ . 1 . 2]" 2
353 1 13 THR HA 1 14 ALA MB . . 5.100 5.004 4.990 5.009 . 0 0 "[ . 1 . 2]" 2
354 1 18 LYS HA 1 18 LYS QD . . 4.450 4.215 4.175 4.239 . 0 0 "[ . 1 . 2]" 2
355 1 4 ARG HG2 1 8 GLY HA2 . . 5.500 5.565 5.556 5.579 0.079 18 0 "[ . 1 . 2]" 2
356 1 4 ARG HA 1 4 ARG HG2 . . 4.020 2.767 2.759 2.800 . 0 0 "[ . 1 . 2]" 2
357 1 4 ARG HB3 1 8 GLY HA2 . . 4.650 3.480 3.404 3.665 . 0 0 "[ . 1 . 2]" 2
358 1 4 ARG HG2 1 8 GLY HA3 . . 4.440 4.434 4.390 4.486 0.046 18 0 "[ . 1 . 2]" 2
359 1 20 LEU HB2 1 29 CYS HA . . 4.890 4.053 3.933 4.117 . 0 0 "[ . 1 . 2]" 2
360 1 29 CYS HA 1 30 ALA MB . . 4.040 3.995 3.939 4.022 . 0 0 "[ . 1 . 2]" 2
361 1 13 THR MG 1 21 GLY HA2 . . 3.190 2.815 2.543 3.133 . 0 0 "[ . 1 . 2]" 2
362 1 20 LEU HA 1 29 CYS HB3 . . 4.600 4.412 4.338 4.457 . 0 0 "[ . 1 . 2]" 2
363 1 20 LEU HA 1 32 ASP HB3 . . 5.060 4.726 4.665 4.813 . 0 0 "[ . 1 . 2]" 2
364 1 16 CYS HA 1 29 CYS HB3 . . 5.390 4.760 4.714 4.862 . 0 0 "[ . 1 . 2]" 2
365 1 27 TYR HB3 1 28 TYR HA . . 4.770 4.603 4.582 4.614 . 0 0 "[ . 1 . 2]" 2
366 1 6 LEU MD1 1 30 ALA MB . . 4.370 3.516 3.443 3.623 . 0 0 "[ . 1 . 2]" 2
367 1 27 TYR HB2 1 28 TYR H . . 4.640 4.488 4.485 4.491 . 0 0 "[ . 1 . 2]" 2
368 1 23 ARG HE 1 23 ARG HG2 . . 3.570 2.530 2.306 3.304 . 0 0 "[ . 1 . 2]" 2
369 1 6 LEU HB2 1 31 TRP HB2 . . 3.640 3.564 3.440 3.649 0.009 18 0 "[ . 1 . 2]" 2
370 1 24 THR HA 1 24 THR MG . . 3.230 2.628 2.287 3.204 . 0 0 "[ . 1 . 2]" 2
371 1 20 LEU HB3 1 29 CYS HB3 . . 3.590 2.100 2.040 2.143 . 0 0 "[ . 1 . 2]" 2
372 1 23 ARG QB 1 23 ARG HD3 . . 3.440 2.267 2.216 2.402 . 0 0 "[ . 1 . 2]" 2
373 1 23 ARG QB 1 23 ARG HD2 . . 3.410 3.240 3.200 3.291 . 0 0 "[ . 1 . 2]" 2
374 1 23 ARG HG2 1 25 ASP H . . 4.450 4.436 4.277 4.460 0.010 10 0 "[ . 1 . 2]" 2
375 1 5 TYR H 1 6 LEU H . . 4.710 4.602 4.505 4.614 . 0 0 "[ . 1 . 2]" 2
376 1 31 TRP H 1 31 TRP HD1 . . 5.070 4.925 4.893 5.003 . 0 0 "[ . 1 . 2]" 2
377 1 29 CYS H 1 30 ALA H . . 4.620 4.447 4.444 4.452 . 0 0 "[ . 1 . 2]" 2
378 1 21 GLY H 1 32 ASP H . . 4.710 4.703 4.680 4.717 0.007 18 0 "[ . 1 . 2]" 2
379 1 21 GLY H 1 22 CYS H . . 4.740 3.573 3.544 3.597 . 0 0 "[ . 1 . 2]" 2
380 1 13 THR H 1 22 CYS H . . 5.120 5.089 5.062 5.124 0.004 1 0 "[ . 1 . 2]" 2
381 1 8 GLY H 1 9 GLY H . . 4.440 2.505 2.431 2.606 . 0 0 "[ . 1 . 2]" 2
382 1 7 PHE H 1 8 GLY H . . 3.650 2.758 2.727 2.810 . 0 0 "[ . 1 . 2]" 2
383 1 8 GLY H 1 29 CYS H . . 3.860 2.690 2.653 2.729 . 0 0 "[ . 1 . 2]" 2
384 1 13 THR HA 1 16 CYS H . . 3.900 3.493 3.468 3.507 . 0 0 "[ . 1 . 2]" 2
385 1 4 ARG HB2 1 8 GLY HA2 . . 4.440 4.428 4.318 4.505 0.065 18 0 "[ . 1 . 2]" 2
386 1 5 TYR QD 1 6 LEU HB2 . . 3.910 3.837 3.745 3.866 . 0 0 "[ . 1 . 2]" 2
387 1 14 ALA MB 1 16 CYS H . . 4.580 4.476 4.465 4.484 . 0 0 "[ . 1 . 2]" 2
388 1 11 LYS H 1 11 LYS QD . . 5.230 4.486 3.880 5.025 . 0 0 "[ . 1 . 2]" 2
389 1 21 GLY H 1 32 ASP HB3 . . 5.500 5.484 5.446 5.502 0.002 20 0 "[ . 1 . 2]" 2
390 1 8 GLY H 1 29 CYS HB3 . . 4.850 4.867 4.813 4.885 0.035 19 0 "[ . 1 . 2]" 2
391 1 29 CYS H 1 29 CYS HB3 . . 3.800 3.594 3.591 3.597 . 0 0 "[ . 1 . 2]" 2
392 1 25 ASP HB3 1 26 LEU H . . 4.140 3.109 2.628 3.862 . 0 0 "[ . 1 . 2]" 2
393 1 24 THR HA 1 25 ASP H . . 3.440 3.433 3.408 3.457 0.017 18 0 "[ . 1 . 2]" 2
394 1 3 CYS H 1 3 CYS HB3 . . 3.770 3.147 2.672 3.358 . 0 0 "[ . 1 . 2]" 2
395 1 3 CYS HB3 1 4 ARG H . . 3.740 3.587 3.514 3.684 . 0 0 "[ . 1 . 2]" 2
396 1 3 CYS HB3 1 17 CYS H . . 3.950 2.183 2.151 2.244 . 0 0 "[ . 1 . 2]" 2
397 1 23 ARG HE 1 26 LEU H . . 4.250 3.626 3.179 4.013 . 0 0 "[ . 1 . 2]" 2
398 1 23 ARG HE 1 24 THR H . . 4.440 4.180 3.746 4.443 0.003 19 0 "[ . 1 . 2]" 2
399 1 22 CYS H 1 35 PHE QE . . 5.140 5.092 4.944 5.145 0.005 18 0 "[ . 1 . 2]" 2
400 1 4 ARG HE 1 9 GLY H . . 5.500 5.243 4.128 5.518 0.018 12 0 "[ . 1 . 2]" 2
401 1 31 TRP HD1 1 32 ASP HA . . 5.190 3.202 3.140 3.326 . 0 0 "[ . 1 . 2]" 2
402 1 20 LEU HB3 1 29 CYS H . . 5.500 5.228 5.189 5.257 . 0 0 "[ . 1 . 2]" 2
403 1 20 LEU HB3 1 32 ASP H . . 5.180 5.017 4.938 5.106 . 0 0 "[ . 1 . 2]" 2
404 1 5 TYR QD 1 6 LEU MD1 . . 5.360 4.901 4.840 4.964 . 0 0 "[ . 1 . 2]" 2
405 1 25 ASP H 1 26 LEU H . . 3.130 2.239 2.218 2.278 . 0 0 "[ . 1 . 2]" 2
406 1 24 THR H 1 25 ASP H . . 3.460 2.361 2.351 2.374 . 0 0 "[ . 1 . 2]" 2
407 1 19 HIS H 1 20 LEU H . . 3.340 2.752 2.750 2.754 . 0 0 "[ . 1 . 2]" 2
408 1 20 LEU MD1 1 29 CYS HB3 . . 3.640 1.983 1.951 2.360 . 0 0 "[ . 1 . 2]" 2
409 1 17 CYS HB3 1 20 LEU MD1 . . 4.090 3.884 3.868 3.937 . 0 0 "[ . 1 . 2]" 2
410 1 20 LEU HB2 1 20 LEU MD1 . . 3.310 2.153 2.049 2.180 . 0 0 "[ . 1 . 2]" 2
411 1 6 LEU HB2 1 6 LEU MD1 . . 3.310 2.003 1.983 2.051 . 0 0 "[ . 1 . 2]" 2
412 1 6 LEU MD1 1 20 LEU MD2 . . 3.470 3.292 3.225 3.434 . 0 0 "[ . 1 . 2]" 2
413 1 20 LEU HB3 1 20 LEU MD2 . . 3.530 2.001 1.934 2.016 . 0 0 "[ . 1 . 2]" 2
414 1 11 LYS QB 1 11 LYS QE . . 4.170 2.724 1.979 3.790 . 0 0 "[ . 1 . 2]" 2
415 1 6 LEU HA 1 29 CYS HB3 . . 4.420 4.194 4.074 4.352 . 0 0 "[ . 1 . 2]" 2
416 1 10 CYS HB2 1 15 ASP HB2 . . 3.040 1.977 1.971 1.983 . 0 0 "[ . 1 . 2]" 2
417 1 3 CYS H 1 4 ARG H . . 4.930 4.521 4.462 4.648 . 0 0 "[ . 1 . 2]" 2
418 1 21 GLY H 1 30 ALA H . . 3.450 2.002 1.918 2.051 . 0 0 "[ . 1 . 2]" 2
419 1 32 ASP H 1 35 PHE QE . . 5.500 4.866 3.922 5.491 . 0 0 "[ . 1 . 2]" 2
420 1 27 TYR H 1 27 TYR QD . . 3.820 2.449 2.430 2.475 . 0 0 "[ . 1 . 2]" 2
421 1 5 TYR QD 1 6 LEU H . . 3.660 2.358 2.330 2.379 . 0 0 "[ . 1 . 2]" 2
422 1 5 TYR H 1 5 TYR QD . . 3.650 3.303 3.241 3.648 . 0 0 "[ . 1 . 2]" 2
423 1 27 TYR H 1 28 TYR H . . 3.450 2.807 2.805 2.810 . 0 0 "[ . 1 . 2]" 2
424 1 23 ARG H 1 28 TYR H . . 3.720 2.372 2.270 2.459 . 0 0 "[ . 1 . 2]" 2
425 1 15 ASP H 1 16 CYS H . . 3.080 2.567 2.566 2.568 . 0 0 "[ . 1 . 2]" 2
426 1 4 ARG H 1 16 CYS H . . 5.500 5.521 5.488 5.537 0.037 2 0 "[ . 1 . 2]" 2
427 1 16 CYS H 1 17 CYS H . . 4.490 4.485 4.482 4.487 . 0 0 "[ . 1 . 2]" 2
428 1 21 GLY H 1 23 ARG H . . 5.500 5.562 5.550 5.573 0.073 4 0 "[ . 1 . 2]" 2
429 1 4 ARG H 1 5 TYR H . . 5.030 4.549 4.525 4.578 . 0 0 "[ . 1 . 2]" 2
430 1 5 TYR H 1 8 GLY H . . 5.500 5.478 4.690 5.533 0.033 13 0 "[ . 1 . 2]" 2
431 1 19 HIS H 1 19 HIS HD2 . . 4.130 2.537 2.024 2.854 . 0 0 "[ . 1 . 2]" 2
432 1 27 TYR H 1 27 TYR QE . . 4.870 4.718 4.701 4.739 . 0 0 "[ . 1 . 2]" 2
433 1 24 THR H 1 27 TYR QE . . 5.040 4.980 4.908 5.039 . 0 0 "[ . 1 . 2]" 2
434 1 25 ASP H 1 27 TYR QE . . 4.780 4.807 4.777 4.839 0.059 6 0 "[ . 1 . 2]" 2
435 1 7 PHE QE 1 28 TYR QE . . 3.710 3.370 3.054 3.549 . 0 0 "[ . 1 . 2]" 2
436 1 27 TYR H 1 28 TYR QE . . 5.160 5.157 5.013 5.175 0.015 16 0 "[ . 1 . 2]" 2
437 1 23 ARG HE 1 28 TYR QE . . 5.090 4.926 4.755 5.071 . 0 0 "[ . 1 . 2]" 2
438 1 25 ASP HB2 1 26 LEU H . . 4.140 3.331 2.649 4.006 . 0 0 "[ . 1 . 2]" 2
439 1 32 ASP HB3 1 33 GLY H . . 4.930 2.270 2.237 2.452 . 0 0 "[ . 1 . 2]" 2
440 1 23 ARG HD3 1 26 LEU H . . 5.500 3.551 3.334 3.846 . 0 0 "[ . 1 . 2]" 2
441 1 12 THR H 1 22 CYS HB2 . . 5.050 4.482 4.449 4.543 . 0 0 "[ . 1 . 2]" 2
442 1 6 LEU MD1 1 32 ASP HB2 . . 5.500 5.504 5.494 5.513 0.013 18 0 "[ . 1 . 2]" 2
443 1 6 LEU MD1 1 29 CYS HB3 . . 5.330 4.998 4.919 5.129 . 0 0 "[ . 1 . 2]" 2
444 1 24 THR HA 1 27 TYR HA . . 4.100 3.937 3.811 4.045 . 0 0 "[ . 1 . 2]" 2
445 1 4 ARG QD 1 16 CYS HA . . 5.010 4.620 4.556 4.734 . 0 0 "[ . 1 . 2]" 2
446 1 20 LEU HA 1 21 GLY HA3 . . 4.370 4.326 4.322 4.329 . 0 0 "[ . 1 . 2]" 2
447 1 27 TYR HA 1 28 TYR HA . . 4.900 4.324 4.321 4.329 . 0 0 "[ . 1 . 2]" 2
448 1 6 LEU HB3 1 31 TRP HB2 . . 5.370 5.307 5.191 5.382 0.012 18 0 "[ . 1 . 2]" 2
449 1 4 ARG H 1 4 ARG QD . . 4.260 3.650 3.585 3.668 . 0 0 "[ . 1 . 2]" 2
450 1 20 LEU H 1 32 ASP H . . 5.140 4.818 4.778 4.930 . 0 0 "[ . 1 . 2]" 2
451 1 11 LYS H 1 12 THR H . . 2.800 1.864 1.858 1.873 . 0 0 "[ . 1 . 2]" 2
452 1 10 CYS H 1 11 LYS H . . 4.700 4.524 4.503 4.537 . 0 0 "[ . 1 . 2]" 2
453 1 20 LEU H 1 21 GLY H . . 4.490 4.521 4.513 4.526 0.036 20 0 "[ . 1 . 2]" 2
454 1 10 CYS H 1 29 CYS H . . 4.480 3.299 3.257 3.380 . 0 0 "[ . 1 . 2]" 2
455 1 9 GLY H 1 10 CYS H . . 4.110 2.702 2.469 2.804 . 0 0 "[ . 1 . 2]" 2
456 1 3 CYS H 1 17 CYS H . . 5.240 5.095 4.760 5.240 0.000 2 0 "[ . 1 . 2]" 2
457 1 7 PHE QD 1 9 GLY H . . 5.170 4.787 4.659 5.174 0.004 18 0 "[ . 1 . 2]" 2
458 1 19 HIS H 1 20 LEU HB2 . . 5.500 5.217 5.170 5.245 . 0 0 "[ . 1 . 2]" 2
459 1 20 LEU HB2 1 22 CYS H . . 5.500 4.332 4.297 4.378 . 0 0 "[ . 1 . 2]" 2
460 1 10 CYS HB2 1 22 CYS HB2 . . 3.750 3.670 3.650 3.761 0.011 18 0 "[ . 1 . 2]" 2
461 1 13 THR HB 1 22 CYS HB2 . . 5.270 5.286 5.275 5.300 0.030 13 0 "[ . 1 . 2]" 2
462 1 1 SER QB 1 2 GLU H . . 4.120 3.545 1.977 4.032 . 0 0 "[ . 1 . 2]" 2
463 1 1 SER QB 1 3 CYS H . . 4.700 3.586 2.526 4.690 . 0 0 "[ . 1 . 2]" 2
464 1 3 CYS H 1 3 CYS QB . . 3.180 2.963 2.602 3.121 . 0 0 "[ . 1 . 2]" 2
465 1 3 CYS HA 1 3 CYS QB . . 2.640 2.177 2.175 2.180 . 0 0 "[ . 1 . 2]" 2
466 1 3 CYS QB 1 4 ARG H . . 3.090 2.378 2.279 2.494 . 0 0 "[ . 1 . 2]" 2
467 1 3 CYS QB 1 16 CYS HA . . 4.170 2.376 2.310 2.413 . 0 0 "[ . 1 . 2]" 2
468 1 3 CYS QB 1 17 CYS H . . 3.300 1.920 1.910 1.926 . 0 0 "[ . 1 . 2]" 2
469 1 3 CYS QB 1 17 CYS HB2 . . 4.920 3.562 3.527 3.657 . 0 0 "[ . 1 . 2]" 2
470 1 5 TYR H 1 5 TYR QB . . 3.140 2.114 2.097 2.279 . 0 0 "[ . 1 . 2]" 2
471 1 5 TYR QB 1 6 LEU H . . 3.390 2.366 2.359 2.374 . 0 0 "[ . 1 . 2]" 2
472 1 7 PHE QB 1 28 TYR QD . . 4.990 3.676 3.613 3.749 . 0 0 "[ . 1 . 2]" 2
473 1 7 PHE QB 1 28 TYR QE . . 5.270 4.987 4.917 5.082 . 0 0 "[ . 1 . 2]" 2
474 1 7 PHE QE 1 26 LEU QD . . 4.750 4.125 3.496 4.756 0.006 13 0 "[ . 1 . 2]" 2
475 1 7 PHE HZ 1 26 LEU QD . . 5.230 4.798 4.195 5.236 0.006 18 0 "[ . 1 . 2]" 2
476 1 11 LYS H 1 11 LYS QG . . 3.670 3.008 2.755 3.334 . 0 0 "[ . 1 . 2]" 2
477 1 11 LYS QG 1 12 THR H . . 4.590 4.058 3.880 4.276 . 0 0 "[ . 1 . 2]" 2
478 1 11 LYS QG 1 27 TYR QD . . 4.600 3.499 2.738 4.572 . 0 0 "[ . 1 . 2]" 2
479 1 18 LYS H 1 18 LYS QG . . 3.420 2.014 1.937 2.087 . 0 0 "[ . 1 . 2]" 2
480 1 18 LYS HA 1 18 LYS QG . . 3.480 3.338 3.333 3.340 . 0 0 "[ . 1 . 2]" 2
481 1 18 LYS QE 1 18 LYS QG . . 3.490 2.148 2.036 2.388 . 0 0 "[ . 1 . 2]" 2
482 1 18 LYS QG 1 19 HIS H . . 3.720 2.052 2.000 2.089 . 0 0 "[ . 1 . 2]" 2
483 1 18 LYS QG 1 19 HIS HD2 . . 3.680 2.070 1.982 2.211 . 0 0 "[ . 1 . 2]" 2
484 1 23 ARG QB 1 25 ASP QB . . 3.580 3.408 3.221 3.565 . 0 0 "[ . 1 . 2]" 2
485 1 23 ARG HD3 1 26 LEU QD . . 3.810 1.961 1.874 2.060 . 0 0 "[ . 1 . 2]" 2
486 1 23 ARG HE 1 26 LEU QD . . 4.170 2.402 1.865 2.540 . 0 0 "[ . 1 . 2]" 2
487 1 25 ASP H 1 25 ASP QB . . 3.260 2.347 2.231 2.592 . 0 0 "[ . 1 . 2]" 2
488 1 25 ASP H 1 26 LEU QD . . 4.300 3.454 3.283 3.642 . 0 0 "[ . 1 . 2]" 2
489 1 25 ASP QB 1 26 LEU QD . . 3.680 2.340 2.141 2.641 . 0 0 "[ . 1 . 2]" 2
490 1 26 LEU H 1 26 LEU QD . . 3.550 2.194 2.060 2.376 . 0 0 "[ . 1 . 2]" 2
491 1 26 LEU HA 1 26 LEU QD . . 3.540 2.378 1.923 3.013 . 0 0 "[ . 1 . 2]" 2
492 1 26 LEU QD 1 28 TYR QE . . 3.630 2.804 1.989 3.371 . 0 0 "[ . 1 . 2]" 2
493 1 35 PHE H 1 35 PHE QB . . 3.560 2.671 2.135 3.357 . 0 0 "[ . 1 . 2]" 2
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