NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
507606 |
2emz   |
10228 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2emz
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 87
_Distance_constraint_stats_list.Viol_total 3.971
_Distance_constraint_stats_list.Viol_max 0.009
_Distance_constraint_stats_list.Viol_rms 0.0016
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0008
_Distance_constraint_stats_list.Viol_average_violations_only 0.0023
_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 0.093 0.009 4 0 "[ . 1 . 2]"
1 18 CYS 0.096 0.009 4 0 "[ . 1 . 2]"
1 31 HIS 0.039 0.005 8 0 "[ . 1 . 2]"
1 35 HIS 0.028 0.003 7 0 "[ . 1 . 2]"
2 1 ZN 0.141 0.009 10 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 15 CYS SG 2 1 ZN ZN . 2.330 2.370 2.328 2.324 2.331 0.006 1 0 "[ . 1 . 2]" 1
2 1 18 CYS SG 2 1 ZN ZN . 2.330 2.370 2.328 2.321 2.331 0.009 10 0 "[ . 1 . 2]" 1
3 1 31 HIS NE2 2 1 ZN ZN . 2.330 2.370 2.329 2.325 2.339 0.005 8 0 "[ . 1 . 2]" 1
4 1 35 HIS NE2 2 1 ZN ZN . 2.330 2.370 2.331 2.327 2.360 0.003 7 0 "[ . 1 . 2]" 1
5 1 15 CYS CB 2 1 ZN ZN . 3.250 3.510 3.371 3.256 3.430 . 0 0 "[ . 1 . 2]" 1
6 1 18 CYS CB 2 1 ZN ZN . 3.250 3.510 3.462 3.364 3.512 0.002 19 0 "[ . 1 . 2]" 1
7 1 15 CYS SG 1 18 CYS SG . 3.200 4.000 3.999 3.960 4.009 0.009 4 0 "[ . 1 . 2]" 1
8 1 15 CYS SG 1 31 HIS NE2 . 3.200 4.000 3.891 3.780 4.003 0.003 19 0 "[ . 1 . 2]" 1
9 1 15 CYS SG 1 35 HIS NE2 . 3.200 4.000 3.932 3.817 4.001 0.001 18 0 "[ . 1 . 2]" 1
10 1 18 CYS SG 1 31 HIS NE2 . 3.200 4.000 3.275 3.199 3.424 0.001 2 0 "[ . 1 . 2]" 1
11 1 18 CYS SG 1 35 HIS NE2 . 3.200 4.000 3.850 3.627 4.002 0.002 7 0 "[ . 1 . 2]" 1
12 1 31 HIS NE2 1 35 HIS NE2 . 3.200 4.000 3.696 3.473 3.874 . 0 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 680
_Distance_constraint_stats_list.Viol_count 478
_Distance_constraint_stats_list.Viol_total 162.809
_Distance_constraint_stats_list.Viol_max 0.197
_Distance_constraint_stats_list.Viol_rms 0.0055
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0006
_Distance_constraint_stats_list.Viol_average_violations_only 0.0170
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 9 GLY 0.009 0.005 1 0 "[ . 1 . 2]"
1 10 GLU 0.009 0.005 1 0 "[ . 1 . 2]"
1 11 ARG 0.026 0.011 17 0 "[ . 1 . 2]"
1 12 PRO 0.048 0.014 1 0 "[ . 1 . 2]"
1 13 PHE 0.416 0.074 17 0 "[ . 1 . 2]"
1 14 LYS 0.578 0.134 3 0 "[ . 1 . 2]"
1 15 CYS 1.005 0.123 19 0 "[ . 1 . 2]"
1 16 ASN 0.960 0.113 10 0 "[ . 1 . 2]"
1 17 GLU 2.318 0.113 10 0 "[ . 1 . 2]"
1 18 CYS 1.409 0.123 19 0 "[ . 1 . 2]"
1 19 GLY 0.774 0.049 11 0 "[ . 1 . 2]"
1 20 LYS 0.105 0.013 10 0 "[ . 1 . 2]"
1 21 GLY 0.055 0.015 4 0 "[ . 1 . 2]"
1 22 PHE 0.173 0.022 10 0 "[ . 1 . 2]"
1 23 GLY 0.037 0.022 15 0 "[ . 1 . 2]"
1 24 ARG 0.411 0.197 15 0 "[ . 1 . 2]"
1 25 ARG 0.411 0.074 17 0 "[ . 1 . 2]"
1 26 SER 0.033 0.007 2 0 "[ . 1 . 2]"
1 27 HIS 0.169 0.017 18 0 "[ . 1 . 2]"
1 28 LEU 0.487 0.041 5 0 "[ . 1 . 2]"
1 29 ALA 1.341 0.062 1 0 "[ . 1 . 2]"
1 30 GLY 0.787 0.062 1 0 "[ . 1 . 2]"
1 31 HIS 0.800 0.054 10 0 "[ . 1 . 2]"
1 32 LEU 0.846 0.054 10 0 "[ . 1 . 2]"
1 33 ARG 0.454 0.077 16 0 "[ . 1 . 2]"
1 34 LEU 0.299 0.026 8 0 "[ . 1 . 2]"
1 35 HIS 0.110 0.011 3 0 "[ . 1 . 2]"
1 36 SER 0.027 0.008 14 0 "[ . 1 . 2]"
1 37 ARG 0.095 0.026 8 0 "[ . 1 . 2]"
1 38 GLU 0.029 0.011 15 0 "[ . 1 . 2]"
1 39 LYS 0.526 0.157 16 0 "[ . 1 . 2]"
1 40 SER 0.009 0.006 16 0 "[ . 1 . 2]"
1 42 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 43 PRO 0.000 0.000 . 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 18 CYS H 1 20 LYS H . . 4.230 3.537 3.468 3.642 . 0 0 "[ . 1 . 2]" 2
2 1 19 GLY H 1 20 LYS H . . 3.540 1.814 1.760 1.894 . 0 0 "[ . 1 . 2]" 2
3 1 20 LYS H 1 22 PHE QE . . 5.040 4.723 4.582 4.939 . 0 0 "[ . 1 . 2]" 2
4 1 15 CYS HA 1 20 LYS H . . 4.970 4.846 4.775 4.916 . 0 0 "[ . 1 . 2]" 2
5 1 15 CYS HB3 1 20 LYS H . . 3.740 1.898 1.889 1.917 . 0 0 "[ . 1 . 2]" 2
6 1 15 CYS HB2 1 20 LYS H . . 3.800 3.454 3.373 3.561 . 0 0 "[ . 1 . 2]" 2
7 1 20 LYS H 1 20 LYS HB3 . . 3.540 2.637 2.427 2.857 . 0 0 "[ . 1 . 2]" 2
8 1 20 LYS H 1 20 LYS HB2 . . 3.540 2.474 2.269 2.849 . 0 0 "[ . 1 . 2]" 2
9 1 25 ARG HA 1 27 HIS H . . 4.630 4.141 4.041 4.390 . 0 0 "[ . 1 . 2]" 2
10 1 27 HIS H 1 28 LEU HB3 . . 5.020 4.671 4.606 4.769 . 0 0 "[ . 1 . 2]" 2
11 1 27 HIS H 1 28 LEU HB2 . . 5.500 5.496 5.453 5.514 0.014 8 0 "[ . 1 . 2]" 2
12 1 27 HIS H 1 27 HIS HB3 . . 3.760 3.528 3.494 3.578 . 0 0 "[ . 1 . 2]" 2
13 1 27 HIS H 1 27 HIS HB2 . . 3.750 2.251 2.184 2.390 . 0 0 "[ . 1 . 2]" 2
14 1 24 ARG HB3 1 27 HIS H . . 4.220 3.132 2.571 3.659 . 0 0 "[ . 1 . 2]" 2
15 1 27 HIS H 1 29 ALA MB . . 4.910 4.582 4.442 4.732 . 0 0 "[ . 1 . 2]" 2
16 1 24 ARG HB2 1 27 HIS H . . 4.100 2.758 2.523 3.276 . 0 0 "[ . 1 . 2]" 2
17 1 31 HIS H 1 32 LEU MD1 . . 4.370 4.316 4.116 4.384 0.014 14 0 "[ . 1 . 2]" 2
18 1 31 HIS H 1 32 LEU H . . 3.690 2.672 2.604 2.714 . 0 0 "[ . 1 . 2]" 2
19 1 30 GLY H 1 31 HIS H . . 3.570 2.607 2.575 2.633 . 0 0 "[ . 1 . 2]" 2
20 1 31 HIS H 1 31 HIS HB3 . . 3.350 2.416 2.361 2.443 . 0 0 "[ . 1 . 2]" 2
21 1 31 HIS H 1 31 HIS HB2 . . 3.370 2.650 2.620 2.713 . 0 0 "[ . 1 . 2]" 2
22 1 28 LEU HB3 1 31 HIS H . . 5.500 5.345 5.317 5.377 . 0 0 "[ . 1 . 2]" 2
23 1 31 HIS H 1 33 ARG QB . . 5.500 5.007 4.900 5.141 . 0 0 "[ . 1 . 2]" 2
24 1 28 LEU HG 1 31 HIS H . . 4.690 4.532 4.439 4.644 . 0 0 "[ . 1 . 2]" 2
25 1 31 HIS H 1 32 LEU MD2 . . 4.630 3.312 3.165 3.365 . 0 0 "[ . 1 . 2]" 2
26 1 31 HIS H 1 34 LEU MD2 . . 5.180 4.855 4.584 5.006 . 0 0 "[ . 1 . 2]" 2
27 1 31 HIS H 1 33 ARG H . . 4.600 4.111 4.035 4.187 . 0 0 "[ . 1 . 2]" 2
28 1 28 LEU H 1 31 HIS H . . 5.350 4.908 4.863 4.943 . 0 0 "[ . 1 . 2]" 2
29 1 22 PHE QE 1 31 HIS H . . 4.690 4.566 4.488 4.667 . 0 0 "[ . 1 . 2]" 2
30 1 29 ALA MB 1 31 HIS H . . 4.500 4.495 4.407 4.525 0.025 4 0 "[ . 1 . 2]" 2
31 1 29 ALA H 1 31 HIS H . . 4.780 4.292 4.179 4.348 . 0 0 "[ . 1 . 2]" 2
32 1 15 CYS HA 1 19 GLY H . . 5.460 4.897 4.714 5.116 . 0 0 "[ . 1 . 2]" 2
33 1 16 ASN HA 1 19 GLY H . . 5.500 4.859 4.567 5.185 . 0 0 "[ . 1 . 2]" 2
34 1 15 CYS HB3 1 19 GLY H . . 3.790 2.497 2.243 2.759 . 0 0 "[ . 1 . 2]" 2
35 1 16 ASN QB 1 16 ASN HD22 . . 3.820 3.261 3.214 3.375 . 0 0 "[ . 1 . 2]" 2
36 1 18 CYS HB3 1 19 GLY H . . 4.820 3.862 3.811 3.924 . 0 0 "[ . 1 . 2]" 2
37 1 17 GLU HB2 1 19 GLY H . . 4.180 4.125 4.053 4.206 0.026 4 0 "[ . 1 . 2]" 2
38 1 16 ASN H 1 17 GLU H . . 4.470 2.486 2.146 2.943 . 0 0 "[ . 1 . 2]" 2
39 1 17 GLU H 1 18 CYS H . . 3.410 2.641 2.242 2.940 . 0 0 "[ . 1 . 2]" 2
40 1 15 CYS HA 1 17 GLU H . . 4.200 3.720 3.488 3.976 . 0 0 "[ . 1 . 2]" 2
41 1 16 ASN QB 1 17 GLU H . . 3.650 3.262 2.864 3.763 0.113 10 0 "[ . 1 . 2]" 2
42 1 17 GLU H 1 17 GLU HB2 . . 3.290 2.714 2.667 2.834 . 0 0 "[ . 1 . 2]" 2
43 1 17 GLU H 1 19 GLY H . . 4.110 3.835 3.308 4.155 0.045 19 0 "[ . 1 . 2]" 2
44 1 27 HIS H 1 28 LEU H . . 3.560 2.676 2.613 2.739 . 0 0 "[ . 1 . 2]" 2
45 1 26 SER HA 1 28 LEU H . . 4.870 4.181 3.999 4.374 . 0 0 "[ . 1 . 2]" 2
46 1 28 LEU H 1 29 ALA HA . . 5.120 5.057 4.989 5.127 0.007 17 0 "[ . 1 . 2]" 2
47 1 22 PHE HB2 1 28 LEU H . . 4.370 3.394 3.258 3.576 . 0 0 "[ . 1 . 2]" 2
48 1 27 HIS HB3 1 28 LEU H . . 3.980 3.441 3.259 3.582 . 0 0 "[ . 1 . 2]" 2
49 1 27 HIS HB2 1 28 LEU H . . 3.720 2.834 2.669 2.986 . 0 0 "[ . 1 . 2]" 2
50 1 22 PHE HB3 1 28 LEU H . . 4.380 3.917 3.646 4.381 0.001 15 0 "[ . 1 . 2]" 2
51 1 28 LEU H 1 28 LEU HB3 . . 3.570 2.218 2.198 2.243 . 0 0 "[ . 1 . 2]" 2
52 1 28 LEU H 1 28 LEU HG . . 4.210 4.171 4.132 4.211 0.001 8 0 "[ . 1 . 2]" 2
53 1 28 LEU H 1 28 LEU HB2 . . 3.550 2.968 2.909 3.022 . 0 0 "[ . 1 . 2]" 2
54 1 28 LEU H 1 28 LEU MD2 . . 4.120 4.059 4.002 4.107 . 0 0 "[ . 1 . 2]" 2
55 1 28 LEU H 1 30 GLY H . . 4.700 4.123 4.068 4.171 . 0 0 "[ . 1 . 2]" 2
56 1 27 HIS HA 1 30 GLY H . . 4.330 4.248 4.133 4.333 0.003 1 0 "[ . 1 . 2]" 2
57 1 30 GLY H 1 31 HIS HA . . 5.300 5.202 5.172 5.222 . 0 0 "[ . 1 . 2]" 2
58 1 28 LEU HA 1 30 GLY H . . 4.480 4.050 3.992 4.114 . 0 0 "[ . 1 . 2]" 2
59 1 30 GLY H 1 31 HIS HB3 . . 4.720 4.718 4.700 4.729 0.009 17 0 "[ . 1 . 2]" 2
60 1 30 GLY H 1 32 LEU MD2 . . 4.350 3.946 3.785 4.012 . 0 0 "[ . 1 . 2]" 2
61 1 28 LEU HB3 1 30 GLY H . . 5.500 5.102 5.033 5.179 . 0 0 "[ . 1 . 2]" 2
62 1 30 GLY H 1 33 ARG QB . . 5.500 5.289 5.127 5.443 . 0 0 "[ . 1 . 2]" 2
63 1 30 GLY H 1 31 HIS HB2 . . 5.260 5.088 5.011 5.164 . 0 0 "[ . 1 . 2]" 2
64 1 38 GLU H 1 38 GLU HB2 . . 4.150 2.921 2.340 3.717 . 0 0 "[ . 1 . 2]" 2
65 1 29 ALA H 1 30 GLY H . . 3.830 2.994 2.943 3.029 . 0 0 "[ . 1 . 2]" 2
66 1 28 LEU H 1 29 ALA H . . 3.550 2.468 2.382 2.547 . 0 0 "[ . 1 . 2]" 2
67 1 27 HIS H 1 29 ALA H . . 4.420 4.230 4.116 4.367 . 0 0 "[ . 1 . 2]" 2
68 1 26 SER HA 1 29 ALA H . . 3.990 3.402 3.272 3.482 . 0 0 "[ . 1 . 2]" 2
69 1 28 LEU HG 1 29 ALA H . . 4.080 3.077 2.930 3.185 . 0 0 "[ . 1 . 2]" 2
70 1 28 LEU HB2 1 29 ALA H . . 4.150 3.962 3.900 4.032 . 0 0 "[ . 1 . 2]" 2
71 1 29 ALA H 1 32 LEU MD2 . . 3.560 3.567 3.529 3.596 0.036 14 0 "[ . 1 . 2]" 2
72 1 10 GLU H 1 10 GLU HG3 . . 4.600 3.154 2.476 3.960 . 0 0 "[ . 1 . 2]" 2
73 1 32 LEU HA 1 34 LEU H . . 4.460 3.828 3.699 3.917 . 0 0 "[ . 1 . 2]" 2
74 1 33 ARG QB 1 34 LEU H . . 3.760 2.791 2.683 2.873 . 0 0 "[ . 1 . 2]" 2
75 1 32 LEU H 1 34 LEU H . . 4.910 4.091 3.990 4.146 . 0 0 "[ . 1 . 2]" 2
76 1 34 LEU H 1 35 HIS HB2 . . 4.510 4.313 4.244 4.404 . 0 0 "[ . 1 . 2]" 2
77 1 12 PRO HB2 1 13 PHE H . . 4.140 3.322 2.916 3.482 . 0 0 "[ . 1 . 2]" 2
78 1 12 PRO HB3 1 13 PHE H . . 4.220 4.134 3.900 4.226 0.006 4 0 "[ . 1 . 2]" 2
79 1 13 PHE H 1 22 PHE H . . 3.950 3.620 3.407 3.881 . 0 0 "[ . 1 . 2]" 2
80 1 13 PHE H 1 14 LYS H . . 4.740 4.482 4.443 4.535 . 0 0 "[ . 1 . 2]" 2
81 1 13 PHE H 1 13 PHE QD . . 3.640 2.681 2.274 2.987 . 0 0 "[ . 1 . 2]" 2
82 1 31 HIS HD2 1 32 LEU H . . 4.360 4.337 4.281 4.373 0.013 1 0 "[ . 1 . 2]" 2
83 1 12 PRO HD2 1 13 PHE H . . 4.090 2.661 2.646 2.747 . 0 0 "[ . 1 . 2]" 2
84 1 12 PRO HD3 1 13 PHE H . . 4.090 3.843 3.835 3.871 . 0 0 "[ . 1 . 2]" 2
85 1 31 HIS HB3 1 32 LEU H . . 3.980 3.134 3.075 3.180 . 0 0 "[ . 1 . 2]" 2
86 1 13 PHE H 1 13 PHE HB2 . . 3.440 2.554 2.424 2.684 . 0 0 "[ . 1 . 2]" 2
87 1 31 HIS HB2 1 32 LEU H . . 4.450 4.227 4.194 4.267 . 0 0 "[ . 1 . 2]" 2
88 1 12 PRO HG3 1 13 PHE H . . 4.150 3.878 3.554 4.025 . 0 0 "[ . 1 . 2]" 2
89 1 32 LEU H 1 32 LEU HB2 . . 3.690 2.480 2.460 2.527 . 0 0 "[ . 1 . 2]" 2
90 1 12 PRO HG2 1 13 PHE H . . 3.820 2.365 1.933 2.563 . 0 0 "[ . 1 . 2]" 2
91 1 29 ALA MB 1 32 LEU H . . 4.700 4.660 4.605 4.679 . 0 0 "[ . 1 . 2]" 2
92 1 13 PHE H 1 28 LEU MD2 . . 4.870 4.785 4.612 4.879 0.009 17 0 "[ . 1 . 2]" 2
93 1 30 GLY H 1 32 LEU H . . 4.860 4.069 4.047 4.106 . 0 0 "[ . 1 . 2]" 2
94 1 32 LEU H 1 35 HIS HD2 . . 4.720 4.559 4.423 4.652 . 0 0 "[ . 1 . 2]" 2
95 1 32 LEU H 1 33 ARG HA . . 4.870 4.829 4.794 4.862 . 0 0 "[ . 1 . 2]" 2
96 1 32 LEU H 1 32 LEU HG . . 4.120 4.099 4.060 4.130 0.010 19 0 "[ . 1 . 2]" 2
97 1 30 GLY HA2 1 32 LEU H . . 4.910 3.664 3.588 3.749 . 0 0 "[ . 1 . 2]" 2
98 1 22 PHE H 1 22 PHE QD . . 3.610 2.594 2.196 2.974 . 0 0 "[ . 1 . 2]" 2
99 1 22 PHE H 1 22 PHE QE . . 5.020 4.745 4.444 5.008 . 0 0 "[ . 1 . 2]" 2
100 1 14 LYS HA 1 22 PHE H . . 4.030 3.639 3.405 3.833 . 0 0 "[ . 1 . 2]" 2
101 1 13 PHE HB2 1 22 PHE H . . 3.670 3.243 2.831 3.557 . 0 0 "[ . 1 . 2]" 2
102 1 11 ARG HB3 1 22 PHE H . . 3.940 3.131 2.841 3.489 . 0 0 "[ . 1 . 2]" 2
103 1 11 ARG HB2 1 22 PHE H . . 4.090 3.796 3.448 4.092 0.002 15 0 "[ . 1 . 2]" 2
104 1 22 PHE H 1 28 LEU MD2 . . 4.580 4.059 3.563 4.352 . 0 0 "[ . 1 . 2]" 2
105 1 22 PHE H 1 22 PHE HB2 . . 4.030 2.784 2.661 2.915 . 0 0 "[ . 1 . 2]" 2
106 1 32 LEU H 1 33 ARG H . . 3.820 2.223 2.206 2.258 . 0 0 "[ . 1 . 2]" 2
107 1 33 ARG H 1 34 LEU H . . 3.690 2.726 2.628 2.837 . 0 0 "[ . 1 . 2]" 2
108 1 33 ARG H 1 33 ARG QB . . 3.140 2.311 2.202 2.427 . 0 0 "[ . 1 . 2]" 2
109 1 32 LEU HB2 1 33 ARG H . . 3.900 2.943 2.806 3.127 . 0 0 "[ . 1 . 2]" 2
110 1 33 ARG H 1 34 LEU HB3 . . 5.500 5.208 5.067 5.371 . 0 0 "[ . 1 . 2]" 2
111 1 32 LEU MD1 1 33 ARG H . . 4.300 4.262 4.209 4.296 . 0 0 "[ . 1 . 2]" 2
112 1 20 LYS HD3 1 21 GLY H . . 3.680 2.756 1.893 3.673 . 0 0 "[ . 1 . 2]" 2
113 1 21 GLY H 1 22 PHE H . . 4.720 4.425 4.343 4.509 . 0 0 "[ . 1 . 2]" 2
114 1 15 CYS H 1 31 HIS HD2 . . 5.180 5.175 4.992 5.204 0.024 10 0 "[ . 1 . 2]" 2
115 1 15 CYS H 1 22 PHE H . . 5.500 5.357 5.100 5.510 0.010 8 0 "[ . 1 . 2]" 2
116 1 15 CYS H 1 18 CYS H . . 5.500 5.465 5.245 5.623 0.123 19 0 "[ . 1 . 2]" 2
117 1 15 CYS H 1 19 GLY H . . 4.650 4.146 3.949 4.298 . 0 0 "[ . 1 . 2]" 2
118 1 15 CYS H 1 21 GLY H . . 5.170 4.798 4.282 4.990 . 0 0 "[ . 1 . 2]" 2
119 1 15 CYS H 1 20 LYS H . . 4.520 3.388 3.110 3.608 . 0 0 "[ . 1 . 2]" 2
120 1 14 LYS HA 1 15 CYS H . . 3.260 2.300 2.225 2.443 . 0 0 "[ . 1 . 2]" 2
121 1 15 CYS H 1 15 CYS HB3 . . 3.460 2.401 2.334 2.503 . 0 0 "[ . 1 . 2]" 2
122 1 15 CYS H 1 15 CYS HB2 . . 3.500 2.933 2.748 3.104 . 0 0 "[ . 1 . 2]" 2
123 1 14 LYS QD 1 15 CYS H . . 4.880 3.383 2.048 4.144 . 0 0 "[ . 1 . 2]" 2
124 1 14 LYS HG2 1 15 CYS H . . 4.410 2.244 1.891 3.824 . 0 0 "[ . 1 . 2]" 2
125 1 15 CYS H 1 28 LEU MD1 . . 3.780 3.237 3.099 3.419 . 0 0 "[ . 1 . 2]" 2
126 1 18 CYS H 1 18 CYS HB2 . . 3.850 3.749 3.719 3.783 . 0 0 "[ . 1 . 2]" 2
127 1 18 CYS H 1 18 CYS HB3 . . 3.630 3.034 2.997 3.086 . 0 0 "[ . 1 . 2]" 2
128 1 18 CYS H 1 19 GLY H . . 3.230 2.069 1.999 2.136 . 0 0 "[ . 1 . 2]" 2
129 1 15 CYS HA 1 18 CYS H . . 5.500 5.076 4.913 5.254 . 0 0 "[ . 1 . 2]" 2
130 1 16 ASN HA 1 18 CYS H . . 5.500 4.757 4.552 4.960 . 0 0 "[ . 1 . 2]" 2
131 1 18 CYS H 1 19 GLY HA2 . . 4.400 4.229 4.163 4.296 . 0 0 "[ . 1 . 2]" 2
132 1 17 GLU HB2 1 18 CYS H . . 3.550 2.199 2.152 2.259 . 0 0 "[ . 1 . 2]" 2
133 1 13 PHE QD 1 14 LYS H . . 4.090 3.668 3.502 3.857 . 0 0 "[ . 1 . 2]" 2
134 1 14 LYS H 1 28 LEU HB3 . . 5.500 5.496 5.439 5.541 0.041 5 0 "[ . 1 . 2]" 2
135 1 14 LYS H 1 14 LYS HB3 . . 3.620 2.966 2.854 3.127 . 0 0 "[ . 1 . 2]" 2
136 1 14 LYS H 1 28 LEU MD2 . . 3.690 2.564 2.420 2.728 . 0 0 "[ . 1 . 2]" 2
137 1 14 LYS H 1 15 CYS H . . 4.590 4.338 4.276 4.393 . 0 0 "[ . 1 . 2]" 2
138 1 13 PHE HB3 1 14 LYS H . . 3.900 2.405 2.223 2.545 . 0 0 "[ . 1 . 2]" 2
139 1 13 PHE HB2 1 14 LYS H . . 3.910 3.694 3.528 3.824 . 0 0 "[ . 1 . 2]" 2
140 1 32 LEU HA 1 35 HIS H . . 3.980 3.040 2.975 3.080 . 0 0 "[ . 1 . 2]" 2
141 1 35 HIS H 1 35 HIS HB2 . . 3.550 2.190 2.176 2.207 . 0 0 "[ . 1 . 2]" 2
142 1 35 HIS H 1 35 HIS HB3 . . 3.670 3.497 3.485 3.510 . 0 0 "[ . 1 . 2]" 2
143 1 34 LEU H 1 35 HIS H . . 3.470 2.416 2.340 2.514 . 0 0 "[ . 1 . 2]" 2
144 1 34 LEU HG 1 35 HIS H . . 4.100 2.529 2.354 2.752 . 0 0 "[ . 1 . 2]" 2
145 1 32 LEU MD1 1 35 HIS H . . 4.880 4.445 4.379 4.532 . 0 0 "[ . 1 . 2]" 2
146 1 24 ARG H 1 27 HIS H . . 4.500 4.296 4.157 4.447 . 0 0 "[ . 1 . 2]" 2
147 1 24 ARG H 1 27 HIS HA . . 5.500 5.465 5.363 5.510 0.010 1 0 "[ . 1 . 2]" 2
148 1 22 PHE HB2 1 24 ARG H . . 4.060 3.929 3.568 4.071 0.011 12 0 "[ . 1 . 2]" 2
149 1 24 ARG H 1 24 ARG HD2 . . 5.000 4.145 2.011 4.965 . 0 0 "[ . 1 . 2]" 2
150 1 22 PHE HB3 1 24 ARG H . . 3.950 3.103 2.934 3.247 . 0 0 "[ . 1 . 2]" 2
151 1 24 ARG H 1 24 ARG HB3 . . 4.090 3.661 3.544 3.728 . 0 0 "[ . 1 . 2]" 2
152 1 24 ARG H 1 24 ARG QG . . 3.740 2.785 2.267 3.769 0.029 15 0 "[ . 1 . 2]" 2
153 1 24 ARG H 1 24 ARG HB2 . . 3.880 2.495 2.297 2.674 . 0 0 "[ . 1 . 2]" 2
154 1 35 HIS HB3 1 36 SER H . . 4.860 3.531 3.347 3.987 . 0 0 "[ . 1 . 2]" 2
155 1 27 HIS HA 1 30 GLY HA3 . . 5.190 5.046 4.924 5.150 . 0 0 "[ . 1 . 2]" 2
156 1 30 GLY HA3 1 32 LEU H . . 4.820 4.269 4.200 4.343 . 0 0 "[ . 1 . 2]" 2
157 1 31 HIS HE1 1 34 LEU MD1 . . 4.310 4.106 3.788 4.278 . 0 0 "[ . 1 . 2]" 2
158 1 34 LEU H 1 34 LEU MD1 . . 3.520 3.400 3.281 3.538 0.018 8 0 "[ . 1 . 2]" 2
159 1 30 GLY HA3 1 33 ARG H . . 4.730 4.262 4.177 4.325 . 0 0 "[ . 1 . 2]" 2
160 1 30 GLY HA2 1 33 ARG H . . 4.790 3.016 2.973 3.102 . 0 0 "[ . 1 . 2]" 2
161 1 34 LEU MD1 1 35 HIS H . . 4.160 2.396 2.137 2.779 . 0 0 "[ . 1 . 2]" 2
162 1 31 HIS HA 1 34 LEU MD1 . . 4.820 4.309 4.127 4.467 . 0 0 "[ . 1 . 2]" 2
163 1 30 GLY HA3 1 33 ARG QD . . 4.420 3.790 2.877 4.366 . 0 0 "[ . 1 . 2]" 2
164 1 34 LEU MD1 1 37 ARG QD . . 4.340 4.072 3.185 4.366 0.026 8 0 "[ . 1 . 2]" 2
165 1 34 LEU HB3 1 34 LEU MD1 . . 3.340 3.135 3.111 3.145 . 0 0 "[ . 1 . 2]" 2
166 1 34 LEU HB2 1 34 LEU MD1 . . 3.030 2.066 2.031 2.084 . 0 0 "[ . 1 . 2]" 2
167 1 30 GLY HA2 1 33 ARG QB . . 4.190 2.723 2.534 2.889 . 0 0 "[ . 1 . 2]" 2
168 1 30 GLY HA3 1 33 ARG QB . . 4.160 3.869 3.731 3.994 . 0 0 "[ . 1 . 2]" 2
169 1 29 ALA MB 1 30 GLY HA3 . . 4.240 4.173 4.105 4.222 . 0 0 "[ . 1 . 2]" 2
170 1 29 ALA MB 1 30 GLY HA2 . . 3.970 3.757 3.699 3.833 . 0 0 "[ . 1 . 2]" 2
171 1 29 ALA H 1 30 GLY HA2 . . 5.500 5.536 5.499 5.562 0.062 1 0 "[ . 1 . 2]" 2
172 1 22 PHE HZ 1 28 LEU MD1 . . 4.420 3.874 3.719 4.034 . 0 0 "[ . 1 . 2]" 2
173 1 22 PHE H 1 28 LEU MD1 . . 4.750 4.014 3.655 4.293 . 0 0 "[ . 1 . 2]" 2
174 1 14 LYS H 1 28 LEU MD1 . . 4.720 4.012 3.792 4.178 . 0 0 "[ . 1 . 2]" 2
175 1 28 LEU MD1 1 32 LEU H . . 4.250 4.082 3.971 4.186 . 0 0 "[ . 1 . 2]" 2
176 1 28 LEU MD1 1 29 ALA H . . 4.370 4.248 4.137 4.314 . 0 0 "[ . 1 . 2]" 2
177 1 21 GLY H 1 28 LEU MD1 . . 5.130 4.903 4.682 5.145 0.015 4 0 "[ . 1 . 2]" 2
178 1 28 LEU MD1 1 31 HIS H . . 4.270 3.932 3.834 4.022 . 0 0 "[ . 1 . 2]" 2
179 1 28 LEU MD1 1 31 HIS HD2 . . 3.220 2.670 2.581 2.783 . 0 0 "[ . 1 . 2]" 2
180 1 14 LYS HA 1 28 LEU MD1 . . 4.370 3.445 3.267 3.640 . 0 0 "[ . 1 . 2]" 2
181 1 15 CYS HA 1 28 LEU MD1 . . 3.220 2.884 2.766 3.054 . 0 0 "[ . 1 . 2]" 2
182 1 28 LEU MD1 1 31 HIS HA . . 5.240 4.924 4.794 5.038 . 0 0 "[ . 1 . 2]" 2
183 1 28 LEU MD1 1 29 ALA HA . . 4.380 4.335 4.199 4.394 0.014 10 0 "[ . 1 . 2]" 2
184 1 28 LEU MD1 1 32 LEU HA . . 4.930 4.853 4.755 4.933 0.003 7 0 "[ . 1 . 2]" 2
185 1 13 PHE HB3 1 28 LEU MD1 . . 4.000 3.863 3.704 3.993 . 0 0 "[ . 1 . 2]" 2
186 1 15 CYS HB2 1 28 LEU MD1 . . 3.220 2.177 2.045 2.342 . 0 0 "[ . 1 . 2]" 2
187 1 28 LEU MD1 1 32 LEU HG . . 3.900 3.874 3.769 3.917 0.017 1 0 "[ . 1 . 2]" 2
188 1 28 LEU HB3 1 28 LEU MD1 . . 3.330 3.168 3.154 3.179 . 0 0 "[ . 1 . 2]" 2
189 1 28 LEU HB2 1 28 LEU MD1 . . 3.190 2.232 2.134 2.322 . 0 0 "[ . 1 . 2]" 2
190 1 28 LEU MD1 1 32 LEU MD1 . . 3.360 2.277 2.088 2.417 . 0 0 "[ . 1 . 2]" 2
191 1 18 CYS H 1 19 GLY HA3 . . 4.910 4.712 4.652 4.768 . 0 0 "[ . 1 . 2]" 2
192 1 18 CYS HA 1 19 GLY HA3 . . 4.880 4.549 4.539 4.560 . 0 0 "[ . 1 . 2]" 2
193 1 15 CYS HB3 1 19 GLY HA2 . . 4.410 3.571 3.261 3.752 . 0 0 "[ . 1 . 2]" 2
194 1 14 LYS QE 1 19 GLY HA3 . . 4.280 3.354 2.608 4.287 0.007 5 0 "[ . 1 . 2]" 2
195 1 14 LYS QD 1 19 GLY HA3 . . 5.370 4.680 3.190 5.375 0.005 16 0 "[ . 1 . 2]" 2
196 1 14 LYS QD 1 19 GLY HA2 . . 4.140 3.447 1.962 4.151 0.011 6 0 "[ . 1 . 2]" 2
197 1 14 LYS HG2 1 19 GLY HA2 . . 4.580 3.265 2.910 4.161 . 0 0 "[ . 1 . 2]" 2
198 1 12 PRO HD2 1 23 GLY HA3 . . 4.800 3.909 3.645 4.206 . 0 0 "[ . 1 . 2]" 2
199 1 12 PRO HD2 1 23 GLY HA2 . . 4.800 2.212 1.996 2.455 . 0 0 "[ . 1 . 2]" 2
200 1 12 PRO HG2 1 23 GLY HA3 . . 4.640 4.221 3.763 4.623 . 0 0 "[ . 1 . 2]" 2
201 1 42 GLY QA 1 43 PRO QG . . 4.730 3.718 3.643 3.934 . 0 0 "[ . 1 . 2]" 2
202 1 22 PHE H 1 22 PHE HB3 . . 4.130 3.857 3.780 3.934 . 0 0 "[ . 1 . 2]" 2
203 1 22 PHE HB2 1 28 LEU HB3 . . 4.760 3.260 3.146 3.460 . 0 0 "[ . 1 . 2]" 2
204 1 22 PHE HB3 1 28 LEU HB3 . . 5.120 4.626 4.394 5.036 . 0 0 "[ . 1 . 2]" 2
205 1 22 PHE HB2 1 28 LEU MD1 . . 4.880 3.720 3.562 4.014 . 0 0 "[ . 1 . 2]" 2
206 1 13 PHE H 1 22 PHE HB2 . . 5.270 4.999 4.735 5.196 . 0 0 "[ . 1 . 2]" 2
207 1 22 PHE HB2 1 27 HIS HB3 . . 3.810 3.680 3.285 3.814 0.004 12 0 "[ . 1 . 2]" 2
208 1 22 PHE HB3 1 27 HIS HB2 . . 3.960 2.912 2.508 3.194 . 0 0 "[ . 1 . 2]" 2
209 1 22 PHE HB2 1 28 LEU HB2 . . 4.390 2.131 1.997 2.420 . 0 0 "[ . 1 . 2]" 2
210 1 22 PHE HB3 1 28 LEU HB2 . . 4.400 3.649 3.440 4.014 . 0 0 "[ . 1 . 2]" 2
211 1 18 CYS HB3 1 35 HIS HE1 . . 3.280 2.693 2.451 3.046 . 0 0 "[ . 1 . 2]" 2
212 1 17 GLU HA 1 35 HIS HE1 . . 5.500 5.420 5.099 5.507 0.007 3 0 "[ . 1 . 2]" 2
213 1 22 PHE QE 1 31 HIS HE1 . . 4.900 4.589 4.437 4.688 . 0 0 "[ . 1 . 2]" 2
214 1 37 ARG HA 1 37 ARG QD . . 4.620 4.250 3.678 4.519 . 0 0 "[ . 1 . 2]" 2
215 1 20 LYS HB3 1 31 HIS HE1 . . 4.120 3.773 3.302 4.094 . 0 0 "[ . 1 . 2]" 2
216 1 34 LEU HB2 1 37 ARG QD . . 4.400 3.274 2.766 4.046 . 0 0 "[ . 1 . 2]" 2
217 1 20 LYS HB2 1 31 HIS HE1 . . 4.120 2.955 2.692 3.277 . 0 0 "[ . 1 . 2]" 2
218 1 31 HIS HE1 1 34 LEU MD2 . . 4.210 3.886 3.732 4.030 . 0 0 "[ . 1 . 2]" 2
219 1 24 ARG HD3 1 27 HIS HE1 . . 4.850 3.960 2.544 4.850 . 0 0 "[ . 1 . 2]" 2
220 1 33 ARG H 1 33 ARG QD . . 4.360 4.045 3.533 4.276 . 0 0 "[ . 1 . 2]" 2
221 1 24 ARG H 1 24 ARG HD3 . . 5.000 4.164 2.422 4.995 . 0 0 "[ . 1 . 2]" 2
222 1 11 ARG HA 1 11 ARG HD2 . . 4.100 3.264 2.479 3.946 . 0 0 "[ . 1 . 2]" 2
223 1 11 ARG HA 1 11 ARG HD3 . . 4.100 2.987 2.004 4.098 . 0 0 "[ . 1 . 2]" 2
224 1 30 GLY HA2 1 33 ARG QD . . 4.000 2.688 1.896 3.131 . 0 0 "[ . 1 . 2]" 2
225 1 33 ARG QB 1 33 ARG QD . . 2.880 2.217 2.105 2.388 . 0 0 "[ . 1 . 2]" 2
226 1 34 LEU HB3 1 37 ARG QD . . 5.440 4.250 3.012 5.268 . 0 0 "[ . 1 . 2]" 2
227 1 24 ARG HB2 1 24 ARG HD2 . . 4.120 3.179 2.361 4.107 . 0 0 "[ . 1 . 2]" 2
228 1 24 ARG HB2 1 24 ARG HD3 . . 4.120 2.912 2.266 4.200 0.080 18 0 "[ . 1 . 2]" 2
229 1 24 ARG HD2 1 27 HIS HE1 . . 4.850 3.843 2.325 4.853 0.003 15 0 "[ . 1 . 2]" 2
230 1 24 ARG HB3 1 24 ARG HD2 . . 4.000 3.330 2.146 4.197 0.197 15 0 "[ . 1 . 2]" 2
231 1 24 ARG HB3 1 24 ARG HD3 . . 4.000 2.944 2.128 3.739 . 0 0 "[ . 1 . 2]" 2
232 1 24 ARG QG 1 27 HIS HE1 . . 4.360 3.654 2.125 4.363 0.003 14 0 "[ . 1 . 2]" 2
233 1 25 ARG HD3 1 28 LEU MD2 . . 4.360 3.781 3.510 4.365 0.005 14 0 "[ . 1 . 2]" 2
234 1 24 ARG HB2 1 27 HIS HE1 . . 4.790 4.081 3.374 4.651 . 0 0 "[ . 1 . 2]" 2
235 1 13 PHE QD 1 25 ARG HD2 . . 5.500 4.943 4.200 5.574 0.074 17 0 "[ . 1 . 2]" 2
236 1 25 ARG HD2 1 26 SER HB3 . . 5.500 5.038 4.141 5.507 0.007 4 0 "[ . 1 . 2]" 2
237 1 20 LYS HE3 1 22 PHE QE . . 5.150 4.112 3.070 5.143 . 0 0 "[ . 1 . 2]" 2
238 1 14 LYS QE 1 19 GLY H . . 5.500 4.725 4.075 5.511 0.011 3 0 "[ . 1 . 2]" 2
239 1 20 LYS HE2 1 22 PHE QE . . 5.150 4.479 3.443 5.157 0.007 18 0 "[ . 1 . 2]" 2
240 1 20 LYS HE3 1 22 PHE HZ . . 4.940 3.650 2.765 4.938 . 0 0 "[ . 1 . 2]" 2
241 1 20 LYS HA 1 20 LYS HE2 . . 4.910 4.154 3.371 4.705 . 0 0 "[ . 1 . 2]" 2
242 1 14 LYS QE 1 19 GLY HA2 . . 3.830 2.544 1.887 3.777 . 0 0 "[ . 1 . 2]" 2
243 1 14 LYS QE 1 14 LYS HG2 . . 3.570 2.602 2.099 3.303 . 0 0 "[ . 1 . 2]" 2
244 1 14 LYS QE 1 14 LYS HG3 . . 3.570 2.532 2.130 3.486 . 0 0 "[ . 1 . 2]" 2
245 1 32 LEU H 1 32 LEU HB3 . . 3.670 3.640 3.632 3.651 . 0 0 "[ . 1 . 2]" 2
246 1 29 ALA H 1 29 ALA MB . . 2.880 2.145 2.056 2.268 . 0 0 "[ . 1 . 2]" 2
247 1 29 ALA MB 1 30 GLY H . . 3.270 2.628 2.532 2.720 . 0 0 "[ . 1 . 2]" 2
248 1 32 LEU HB3 1 34 LEU H . . 5.370 5.328 5.233 5.374 0.004 3 0 "[ . 1 . 2]" 2
249 1 31 HIS H 1 32 LEU HB2 . . 5.260 4.943 4.884 5.013 . 0 0 "[ . 1 . 2]" 2
250 1 29 ALA MB 1 33 ARG H . . 5.230 5.091 4.990 5.235 0.005 1 0 "[ . 1 . 2]" 2
251 1 32 LEU HB3 1 33 ARG H . . 4.160 3.939 3.842 4.052 . 0 0 "[ . 1 . 2]" 2
252 1 31 HIS HD2 1 32 LEU HB2 . . 5.500 5.489 5.407 5.554 0.054 10 0 "[ . 1 . 2]" 2
253 1 28 LEU H 1 29 ALA MB . . 4.110 3.977 3.892 4.051 . 0 0 "[ . 1 . 2]" 2
254 1 32 LEU HB2 1 35 HIS HD2 . . 4.980 4.915 4.788 4.981 0.001 13 0 "[ . 1 . 2]" 2
255 1 27 HIS HA 1 29 ALA MB . . 5.440 5.108 5.010 5.205 . 0 0 "[ . 1 . 2]" 2
256 1 26 SER HA 1 29 ALA MB . . 3.110 2.230 2.110 2.400 . 0 0 "[ . 1 . 2]" 2
257 1 29 ALA MB 1 33 ARG QD . . 4.750 4.527 3.872 4.757 0.007 7 0 "[ . 1 . 2]" 2
258 1 28 LEU HB3 1 29 ALA MB . . 4.460 4.287 4.187 4.374 . 0 0 "[ . 1 . 2]" 2
259 1 28 LEU HG 1 29 ALA MB . . 4.410 4.177 4.082 4.232 . 0 0 "[ . 1 . 2]" 2
260 1 32 LEU HB3 1 32 LEU MD1 . . 3.510 2.668 2.633 2.689 . 0 0 "[ . 1 . 2]" 2
261 1 32 LEU HB2 1 32 LEU MD1 . . 3.340 3.126 3.118 3.142 . 0 0 "[ . 1 . 2]" 2
262 1 32 LEU HB2 1 32 LEU MD2 . . 3.150 1.993 1.970 2.155 . 0 0 "[ . 1 . 2]" 2
263 1 29 ALA MB 1 32 LEU MD2 . . 3.390 3.379 3.253 3.420 0.030 8 0 "[ . 1 . 2]" 2
264 1 34 LEU H 1 34 LEU HB2 . . 3.650 3.602 3.585 3.622 . 0 0 "[ . 1 . 2]" 2
265 1 34 LEU HB3 1 35 HIS H . . 4.180 4.087 4.003 4.186 0.006 16 0 "[ . 1 . 2]" 2
266 1 34 LEU H 1 34 LEU HB3 . . 3.540 2.696 2.606 2.769 . 0 0 "[ . 1 . 2]" 2
267 1 34 LEU HB2 1 35 HIS H . . 4.150 3.904 3.721 4.140 . 0 0 "[ . 1 . 2]" 2
268 1 22 PHE QE 1 28 LEU HB3 . . 5.500 5.289 5.156 5.413 . 0 0 "[ . 1 . 2]" 2
269 1 13 PHE HB2 1 28 LEU HB3 . . 4.190 3.713 3.565 3.920 . 0 0 "[ . 1 . 2]" 2
270 1 28 LEU HB3 1 28 LEU MD2 . . 3.210 2.109 2.058 2.156 . 0 0 "[ . 1 . 2]" 2
271 1 28 LEU HB2 1 28 LEU MD2 . . 3.610 2.546 2.509 2.590 . 0 0 "[ . 1 . 2]" 2
272 1 28 LEU HB3 1 29 ALA H . . 4.070 2.609 2.521 2.716 . 0 0 "[ . 1 . 2]" 2
273 1 22 PHE QE 1 28 LEU HB2 . . 4.540 3.890 3.726 4.032 . 0 0 "[ . 1 . 2]" 2
274 1 25 ARG HA 1 28 LEU HB2 . . 4.860 4.608 4.475 4.778 . 0 0 "[ . 1 . 2]" 2
275 1 36 SER HB2 1 37 ARG H . . 5.280 3.998 2.438 4.667 . 0 0 "[ . 1 . 2]" 2
276 1 36 SER HB3 1 37 ARG H . . 5.280 3.910 2.330 4.592 . 0 0 "[ . 1 . 2]" 2
277 1 12 PRO HA 1 13 PHE QE . . 5.480 5.319 5.129 5.435 . 0 0 "[ . 1 . 2]" 2
278 1 12 PRO HA 1 13 PHE QD . . 4.580 4.267 4.011 4.583 0.003 14 0 "[ . 1 . 2]" 2
279 1 11 ARG HA 1 12 PRO HA . . 4.450 4.388 4.386 4.390 . 0 0 "[ . 1 . 2]" 2
280 1 36 SER HB3 1 39 LYS QD . . 5.500 4.533 3.481 5.503 0.003 15 0 "[ . 1 . 2]" 2
281 1 39 LYS QD 1 40 SER QB . . 5.500 4.773 2.347 5.474 . 0 0 "[ . 1 . 2]" 2
282 1 36 SER HB2 1 39 LYS QD . . 5.500 4.665 3.672 5.504 0.004 14 0 "[ . 1 . 2]" 2
283 1 13 PHE HB3 1 22 PHE H . . 4.580 4.179 3.704 4.552 . 0 0 "[ . 1 . 2]" 2
284 1 13 PHE H 1 13 PHE HB3 . . 3.920 3.725 3.648 3.804 . 0 0 "[ . 1 . 2]" 2
285 1 13 PHE HB2 1 22 PHE QD . . 4.630 4.361 4.207 4.523 . 0 0 "[ . 1 . 2]" 2
286 1 13 PHE HB2 1 22 PHE HB2 . . 4.370 3.408 3.003 3.695 . 0 0 "[ . 1 . 2]" 2
287 1 13 PHE HB3 1 22 PHE HB2 . . 4.910 4.437 4.030 4.843 . 0 0 "[ . 1 . 2]" 2
288 1 13 PHE HB3 1 28 LEU HB3 . . 4.250 3.543 3.388 3.803 . 0 0 "[ . 1 . 2]" 2
289 1 11 ARG HB3 1 13 PHE HB2 . . 4.780 4.358 4.074 4.643 . 0 0 "[ . 1 . 2]" 2
290 1 12 PRO HG2 1 13 PHE HB2 . . 4.480 3.452 3.386 3.519 . 0 0 "[ . 1 . 2]" 2
291 1 13 PHE HB3 1 28 LEU HB2 . . 4.100 3.653 3.412 4.086 . 0 0 "[ . 1 . 2]" 2
292 1 13 PHE HB2 1 28 LEU HB2 . . 4.130 3.543 3.381 3.746 . 0 0 "[ . 1 . 2]" 2
293 1 25 ARG HD2 1 26 SER HB2 . . 5.500 5.025 4.004 5.507 0.007 2 0 "[ . 1 . 2]" 2
294 1 15 CYS H 1 22 PHE QD . . 4.960 4.753 4.590 4.927 . 0 0 "[ . 1 . 2]" 2
295 1 10 GLU H 1 10 GLU HG2 . . 4.600 3.627 2.072 4.574 . 0 0 "[ . 1 . 2]" 2
296 1 22 PHE QD 1 28 LEU H . . 4.410 4.335 4.174 4.416 0.006 2 0 "[ . 1 . 2]" 2
297 1 14 LYS HA 1 22 PHE QD . . 4.350 4.096 3.784 4.317 . 0 0 "[ . 1 . 2]" 2
298 1 22 PHE QD 1 27 HIS HA . . 4.680 4.575 4.394 4.677 . 0 0 "[ . 1 . 2]" 2
299 1 38 GLU HA 1 38 GLU HG2 . . 4.180 3.020 2.201 3.804 . 0 0 "[ . 1 . 2]" 2
300 1 10 GLU HA 1 10 GLU HG3 . . 3.990 3.054 2.352 3.784 . 0 0 "[ . 1 . 2]" 2
301 1 22 PHE QD 1 27 HIS HB3 . . 3.510 2.509 2.280 2.696 . 0 0 "[ . 1 . 2]" 2
302 1 22 PHE QD 1 28 LEU HA . . 3.380 3.093 2.982 3.196 . 0 0 "[ . 1 . 2]" 2
303 1 22 PHE QD 1 28 LEU HB3 . . 4.180 3.934 3.850 4.045 . 0 0 "[ . 1 . 2]" 2
304 1 22 PHE QD 1 28 LEU HG . . 4.510 4.459 4.342 4.532 0.022 10 0 "[ . 1 . 2]" 2
305 1 22 PHE QD 1 28 LEU HB2 . . 3.700 2.243 2.157 2.375 . 0 0 "[ . 1 . 2]" 2
306 1 22 PHE QD 1 28 LEU MD1 . . 3.180 2.145 1.973 2.314 . 0 0 "[ . 1 . 2]" 2
307 1 13 PHE QE 1 25 ARG HA . . 4.510 3.476 2.905 3.751 . 0 0 "[ . 1 . 2]" 2
308 1 13 PHE HZ 1 25 ARG HA . . 5.160 4.097 3.798 4.326 . 0 0 "[ . 1 . 2]" 2
309 1 25 ARG HA 1 27 HIS HB2 . . 5.120 4.800 4.675 5.029 . 0 0 "[ . 1 . 2]" 2
310 1 25 ARG HA 1 28 LEU HB3 . . 3.930 3.220 3.040 3.376 . 0 0 "[ . 1 . 2]" 2
311 1 25 ARG HA 1 25 ARG QG . . 3.430 2.809 2.245 3.308 . 0 0 "[ . 1 . 2]" 2
312 1 25 ARG HA 1 28 LEU MD2 . . 3.900 3.662 3.480 3.796 . 0 0 "[ . 1 . 2]" 2
313 1 25 ARG HA 1 29 ALA H . . 4.450 4.112 3.923 4.319 . 0 0 "[ . 1 . 2]" 2
314 1 13 PHE H 1 13 PHE QE . . 5.130 4.913 4.585 5.072 . 0 0 "[ . 1 . 2]" 2
315 1 25 ARG HA 1 28 LEU H . . 3.910 3.546 3.397 3.711 . 0 0 "[ . 1 . 2]" 2
316 1 12 PRO HD3 1 13 PHE QD . . 4.900 4.812 4.701 4.902 0.002 6 0 "[ . 1 . 2]" 2
317 1 13 PHE QE 1 25 ARG HD3 . . 3.900 3.215 2.031 3.928 0.028 10 0 "[ . 1 . 2]" 2
318 1 13 PHE HB2 1 25 ARG HA . . 4.270 4.013 3.579 4.275 0.005 2 0 "[ . 1 . 2]" 2
319 1 12 PRO HB2 1 13 PHE QE . . 4.600 2.793 2.602 2.910 . 0 0 "[ . 1 . 2]" 2
320 1 12 PRO HB2 1 13 PHE QD . . 4.550 2.205 1.997 2.534 . 0 0 "[ . 1 . 2]" 2
321 1 12 PRO HG3 1 13 PHE QE . . 4.490 4.316 4.214 4.474 . 0 0 "[ . 1 . 2]" 2
322 1 25 ARG HA 1 28 LEU HG . . 5.500 5.339 5.089 5.505 0.005 10 0 "[ . 1 . 2]" 2
323 1 12 PRO HG2 1 13 PHE QD . . 3.760 2.017 1.993 2.129 . 0 0 "[ . 1 . 2]" 2
324 1 12 PRO HG2 1 13 PHE QE . . 4.140 3.787 3.616 3.975 . 0 0 "[ . 1 . 2]" 2
325 1 13 PHE QE 1 25 ARG HB2 . . 4.540 2.932 2.031 3.436 . 0 0 "[ . 1 . 2]" 2
326 1 13 PHE QE 1 25 ARG HB3 . . 4.540 4.275 3.720 4.587 0.047 17 0 "[ . 1 . 2]" 2
327 1 12 PRO HB3 1 13 PHE QD . . 4.150 3.786 3.613 4.050 . 0 0 "[ . 1 . 2]" 2
328 1 13 PHE QE 1 28 LEU MD2 . . 4.540 4.213 3.963 4.457 . 0 0 "[ . 1 . 2]" 2
329 1 13 PHE QD 1 28 LEU MD2 . . 3.610 2.426 1.968 2.858 . 0 0 "[ . 1 . 2]" 2
330 1 14 LYS HB2 1 15 CYS H . . 4.210 3.945 3.657 4.205 . 0 0 "[ . 1 . 2]" 2
331 1 17 GLU H 1 17 GLU HG3 . . 3.810 3.475 3.274 3.806 . 0 0 "[ . 1 . 2]" 2
332 1 17 GLU H 1 17 GLU HG2 . . 3.800 2.053 1.844 2.448 . 0 0 "[ . 1 . 2]" 2
333 1 17 GLU HG3 1 18 CYS H . . 4.350 4.341 4.157 4.422 0.072 19 0 "[ . 1 . 2]" 2
334 1 17 GLU HG2 1 18 CYS H . . 4.230 3.891 3.744 3.996 . 0 0 "[ . 1 . 2]" 2
335 1 36 SER HA 1 39 LYS H . . 5.350 4.238 3.355 5.147 . 0 0 "[ . 1 . 2]" 2
336 1 17 GLU HA 1 17 GLU HG3 . . 4.080 3.880 3.844 3.927 . 0 0 "[ . 1 . 2]" 2
337 1 17 GLU HA 1 17 GLU HG2 . . 3.610 3.073 2.995 3.147 . 0 0 "[ . 1 . 2]" 2
338 1 16 ASN QB 1 17 GLU HG2 . . 4.150 3.675 3.581 3.759 . 0 0 "[ . 1 . 2]" 2
339 1 36 SER HA 1 39 LYS HB3 . . 5.010 4.023 2.004 5.010 . 5 0 "[ . 1 . 2]" 2
340 1 36 SER HA 1 39 LYS QD . . 4.680 3.103 2.458 4.688 0.008 15 0 "[ . 1 . 2]" 2
341 1 15 CYS HA 1 28 LEU MD2 . . 4.100 3.401 3.231 3.646 . 0 0 "[ . 1 . 2]" 2
342 1 14 LYS HB2 1 28 LEU MD2 . . 5.170 4.971 4.869 5.118 . 0 0 "[ . 1 . 2]" 2
343 1 14 LYS HB3 1 28 LEU MD2 . . 5.170 4.694 4.575 4.824 . 0 0 "[ . 1 . 2]" 2
344 1 14 LYS HB3 1 15 CYS H . . 4.210 3.778 3.614 4.046 . 0 0 "[ . 1 . 2]" 2
345 1 14 LYS H 1 14 LYS HB2 . . 3.620 3.363 3.182 3.554 . 0 0 "[ . 1 . 2]" 2
346 1 31 HIS HA 1 34 LEU H . . 4.310 4.089 4.027 4.152 . 0 0 "[ . 1 . 2]" 2
347 1 31 HIS HA 1 33 ARG H . . 4.600 4.236 4.028 4.380 . 0 0 "[ . 1 . 2]" 2
348 1 22 PHE QE 1 31 HIS HA . . 4.750 4.641 4.582 4.746 . 0 0 "[ . 1 . 2]" 2
349 1 22 PHE HZ 1 31 HIS HA . . 4.800 4.020 3.918 4.206 . 0 0 "[ . 1 . 2]" 2
350 1 30 GLY HA3 1 31 HIS HA . . 4.440 4.353 4.348 4.365 . 0 0 "[ . 1 . 2]" 2
351 1 14 LYS HB2 1 14 LYS QE . . 4.440 3.874 2.275 4.453 0.013 15 0 "[ . 1 . 2]" 2
352 1 14 LYS HB3 1 14 LYS QE . . 4.440 3.856 2.853 4.079 . 0 0 "[ . 1 . 2]" 2
353 1 36 SER HA 1 39 LYS HB2 . . 5.010 3.587 2.009 4.884 . 0 0 "[ . 1 . 2]" 2
354 1 31 HIS HA 1 33 ARG QB . . 5.080 4.823 4.716 4.978 . 0 0 "[ . 1 . 2]" 2
355 1 31 HIS HA 1 34 LEU HG . . 3.850 3.366 3.311 3.429 . 0 0 "[ . 1 . 2]" 2
356 1 36 SER HA 1 39 LYS HG2 . . 5.500 3.602 1.999 4.921 . 0 0 "[ . 1 . 2]" 2
357 1 36 SER HA 1 39 LYS HG3 . . 5.500 3.501 2.008 5.429 . 0 0 "[ . 1 . 2]" 2
358 1 31 HIS HA 1 34 LEU HB3 . . 5.170 4.768 4.537 4.928 . 0 0 "[ . 1 . 2]" 2
359 1 31 HIS HA 1 32 LEU MD1 . . 4.350 4.270 4.151 4.323 . 0 0 "[ . 1 . 2]" 2
360 1 31 HIS HA 1 32 LEU MD2 . . 4.750 4.591 4.532 4.647 . 0 0 "[ . 1 . 2]" 2
361 1 15 CYS H 1 22 PHE QE . . 4.870 4.768 4.423 4.878 0.008 12 0 "[ . 1 . 2]" 2
362 1 21 GLY H 1 22 PHE QE . . 4.570 4.037 3.697 4.484 . 0 0 "[ . 1 . 2]" 2
363 1 22 PHE QE 1 31 HIS HD2 . . 3.850 3.301 3.151 3.477 . 0 0 "[ . 1 . 2]" 2
364 1 22 PHE QE 1 27 HIS HB3 . . 5.500 4.362 4.179 4.529 . 0 0 "[ . 1 . 2]" 2
365 1 22 PHE QE 1 28 LEU HA . . 3.940 3.370 3.234 3.467 . 0 0 "[ . 1 . 2]" 2
366 1 15 CYS HB2 1 22 PHE QE . . 3.800 3.474 3.305 3.706 . 0 0 "[ . 1 . 2]" 2
367 1 20 LYS HB3 1 22 PHE QE . . 4.120 2.248 2.050 2.661 . 0 0 "[ . 1 . 2]" 2
368 1 22 PHE QE 1 28 LEU MD1 . . 3.400 2.167 2.035 2.278 . 0 0 "[ . 1 . 2]" 2
369 1 33 ARG HA 1 33 ARG QD . . 4.040 4.024 3.884 4.117 0.077 16 0 "[ . 1 . 2]" 2
370 1 33 ARG HA 1 33 ARG HG3 . . 3.660 3.025 2.735 3.264 . 0 0 "[ . 1 . 2]" 2
371 1 17 GLU HA 1 18 CYS HA . . 4.930 4.551 4.548 4.556 . 0 0 "[ . 1 . 2]" 2
372 1 18 CYS HA 1 19 GLY HA2 . . 5.300 5.041 5.018 5.064 . 0 0 "[ . 1 . 2]" 2
373 1 20 LYS HA 1 21 GLY H . . 2.910 2.306 2.146 2.415 . 0 0 "[ . 1 . 2]" 2
374 1 15 CYS HB3 1 20 LYS HA . . 4.560 4.201 4.001 4.468 . 0 0 "[ . 1 . 2]" 2
375 1 13 PHE HZ 1 25 ARG HD3 . . 5.270 4.657 3.808 5.277 0.007 19 0 "[ . 1 . 2]" 2
376 1 16 ASN QB 1 17 GLU HA . . 4.190 4.071 3.867 4.249 0.059 13 0 "[ . 1 . 2]" 2
377 1 12 PRO HB2 1 13 PHE HZ . . 5.110 4.919 4.616 5.110 . 0 0 "[ . 1 . 2]" 2
378 1 13 PHE HZ 1 25 ARG HB2 . . 4.730 2.693 2.217 3.171 . 0 0 "[ . 1 . 2]" 2
379 1 13 PHE HZ 1 25 ARG HB3 . . 4.730 4.169 3.585 4.587 . 0 0 "[ . 1 . 2]" 2
380 1 20 LYS HA 1 20 LYS HG3 . . 3.900 3.126 2.934 3.651 . 0 0 "[ . 1 . 2]" 2
381 1 32 LEU HA 1 32 LEU MD2 . . 3.700 3.478 3.447 3.512 . 0 0 "[ . 1 . 2]" 2
382 1 32 LEU HA 1 35 HIS HB2 . . 4.420 2.488 2.355 2.541 . 0 0 "[ . 1 . 2]" 2
383 1 20 LYS HA 1 20 LYS HE3 . . 4.910 4.555 3.928 4.795 . 0 0 "[ . 1 . 2]" 2
384 1 13 PHE HZ 1 25 ARG QG . . 4.490 3.311 2.441 4.434 . 0 0 "[ . 1 . 2]" 2
385 1 28 LEU HA 1 32 LEU H . . 5.240 4.940 4.868 5.044 . 0 0 "[ . 1 . 2]" 2
386 1 28 LEU HA 1 31 HIS H . . 4.130 3.083 3.050 3.136 . 0 0 "[ . 1 . 2]" 2
387 1 27 HIS HA 1 28 LEU HA . . 4.740 4.676 4.661 4.700 . 0 0 "[ . 1 . 2]" 2
388 1 28 LEU HA 1 31 HIS HA . . 5.350 5.039 5.005 5.102 . 0 0 "[ . 1 . 2]" 2
389 1 28 LEU HA 1 30 GLY HA3 . . 5.500 5.402 5.353 5.455 . 0 0 "[ . 1 . 2]" 2
390 1 27 HIS HB3 1 28 LEU HA . . 4.300 4.190 4.083 4.317 0.017 18 0 "[ . 1 . 2]" 2
391 1 28 LEU HA 1 31 HIS HB2 . . 3.690 3.148 3.093 3.268 . 0 0 "[ . 1 . 2]" 2
392 1 28 LEU HA 1 28 LEU HG . . 3.940 3.300 3.262 3.350 . 0 0 "[ . 1 . 2]" 2
393 1 28 LEU HA 1 29 ALA MB . . 5.000 4.965 4.949 4.985 . 0 0 "[ . 1 . 2]" 2
394 1 28 LEU HA 1 28 LEU MD1 . . 3.040 2.346 2.235 2.492 . 0 0 "[ . 1 . 2]" 2
395 1 24 ARG HB2 1 27 HIS HB3 . . 4.530 3.676 3.444 4.089 . 0 0 "[ . 1 . 2]" 2
396 1 10 GLU HA 1 10 GLU HG2 . . 3.990 2.701 2.264 3.713 . 0 0 "[ . 1 . 2]" 2
397 1 38 GLU HA 1 38 GLU HG3 . . 4.180 3.121 2.436 3.861 . 0 0 "[ . 1 . 2]" 2
398 1 37 ARG QG 1 38 GLU HA . . 4.470 3.811 2.995 4.481 0.011 15 0 "[ . 1 . 2]" 2
399 1 9 GLY H 1 10 GLU HA . . 4.690 4.490 4.035 4.695 0.005 1 0 "[ . 1 . 2]" 2
400 1 34 LEU HA 1 37 ARG QD . . 4.390 3.178 2.017 4.243 . 0 0 "[ . 1 . 2]" 2
401 1 22 PHE HZ 1 31 HIS HB3 . . 4.280 3.296 3.156 3.410 . 0 0 "[ . 1 . 2]" 2
402 1 20 LYS HE2 1 22 PHE HZ . . 4.940 4.230 2.954 4.936 . 0 0 "[ . 1 . 2]" 2
403 1 22 PHE HZ 1 31 HIS HB2 . . 4.120 2.055 1.998 2.224 . 0 0 "[ . 1 . 2]" 2
404 1 33 ARG QB 1 34 LEU HA . . 4.260 3.932 3.876 3.975 . 0 0 "[ . 1 . 2]" 2
405 1 34 LEU HA 1 37 ARG HB2 . . 4.640 3.964 2.844 4.632 . 0 0 "[ . 1 . 2]" 2
406 1 34 LEU HA 1 34 LEU HG . . 3.830 3.685 3.651 3.715 . 0 0 "[ . 1 . 2]" 2
407 1 20 LYS HB2 1 22 PHE HZ . . 4.580 4.446 4.325 4.592 0.012 10 0 "[ . 1 . 2]" 2
408 1 9 GLY QA 1 10 GLU HA . . 4.450 4.052 3.947 4.405 . 0 0 "[ . 1 . 2]" 2
409 1 39 LYS HA 1 39 LYS QD . . 3.940 3.380 1.989 4.097 0.157 16 0 "[ . 1 . 2]" 2
410 1 20 LYS HG3 1 22 PHE HZ . . 4.780 3.029 2.498 3.353 . 0 0 "[ . 1 . 2]" 2
411 1 18 CYS HB2 1 19 GLY H . . 3.870 3.636 3.579 3.683 . 0 0 "[ . 1 . 2]" 2
412 1 18 CYS HB2 1 19 GLY HA3 . . 4.820 4.631 4.584 4.676 . 0 0 "[ . 1 . 2]" 2
413 1 17 GLU HA 1 18 CYS HB3 . . 5.360 5.312 5.234 5.390 0.030 16 0 "[ . 1 . 2]" 2
414 1 17 GLU HB3 1 18 CYS HB3 . . 4.550 4.367 4.252 4.526 . 0 0 "[ . 1 . 2]" 2
415 1 18 CYS HB2 1 19 GLY HA2 . . 5.500 5.479 5.422 5.517 0.017 17 0 "[ . 1 . 2]" 2
416 1 12 PRO HB3 1 13 PHE QE . . 4.360 4.257 4.070 4.369 0.009 10 0 "[ . 1 . 2]" 2
417 1 22 PHE QD 1 27 HIS HB2 . . 4.190 3.950 3.676 4.153 . 0 0 "[ . 1 . 2]" 2
418 1 24 ARG QG 1 27 HIS HB3 . . 5.500 5.073 4.591 5.511 0.011 15 0 "[ . 1 . 2]" 2
419 1 27 HIS HB3 1 28 LEU HB2 . . 5.060 4.792 4.663 4.979 . 0 0 "[ . 1 . 2]" 2
420 1 24 ARG HB2 1 27 HIS HB2 . . 4.640 2.265 2.004 2.791 . 0 0 "[ . 1 . 2]" 2
421 1 22 PHE HZ 1 31 HIS HD2 . . 4.900 4.397 4.152 4.644 . 0 0 "[ . 1 . 2]" 2
422 1 22 PHE HB3 1 27 HIS HB3 . . 4.220 2.492 2.372 2.603 . 0 0 "[ . 1 . 2]" 2
423 1 28 LEU HG 1 29 ALA HA . . 3.770 3.128 3.056 3.166 . 0 0 "[ . 1 . 2]" 2
424 1 29 ALA HA 1 32 LEU HB2 . . 4.280 3.568 3.477 3.692 . 0 0 "[ . 1 . 2]" 2
425 1 24 ARG QG 1 27 HIS HB2 . . 4.800 4.032 3.707 4.358 . 0 0 "[ . 1 . 2]" 2
426 1 29 ALA HA 1 32 LEU MD2 . . 3.130 1.942 1.892 2.006 . 0 0 "[ . 1 . 2]" 2
427 1 29 ALA HA 1 32 LEU H . . 4.130 3.835 3.772 3.893 . 0 0 "[ . 1 . 2]" 2
428 1 20 LYS H 1 31 HIS HD2 . . 4.620 4.458 4.222 4.624 0.004 16 0 "[ . 1 . 2]" 2
429 1 31 HIS H 1 31 HIS HD2 . . 5.040 4.985 4.908 5.015 . 0 0 "[ . 1 . 2]" 2
430 1 22 PHE QD 1 31 HIS HD2 . . 5.410 5.166 4.980 5.327 . 0 0 "[ . 1 . 2]" 2
431 1 15 CYS HA 1 31 HIS HD2 . . 4.640 4.430 4.249 4.596 . 0 0 "[ . 1 . 2]" 2
432 1 31 HIS HA 1 31 HIS HD2 . . 4.630 4.524 4.450 4.578 . 0 0 "[ . 1 . 2]" 2
433 1 31 HIS HD2 1 32 LEU HA . . 3.930 3.880 3.766 3.945 0.015 17 0 "[ . 1 . 2]" 2
434 1 29 ALA HA 1 31 HIS HB3 . . 5.380 5.122 5.049 5.156 . 0 0 "[ . 1 . 2]" 2
435 1 31 HIS HB3 1 31 HIS HD2 . . 3.920 2.752 2.739 2.773 . 0 0 "[ . 1 . 2]" 2
436 1 15 CYS HB2 1 31 HIS HD2 . . 3.560 2.362 2.224 2.472 . 0 0 "[ . 1 . 2]" 2
437 1 31 HIS HD2 1 32 LEU HG . . 4.830 4.682 4.620 4.773 . 0 0 "[ . 1 . 2]" 2
438 1 17 GLU HG2 1 35 HIS HD2 . . 4.540 4.258 3.693 4.540 0.000 8 0 "[ . 1 . 2]" 2
439 1 28 LEU HG 1 31 HIS HD2 . . 5.000 4.897 4.778 4.990 . 0 0 "[ . 1 . 2]" 2
440 1 17 GLU HB2 1 31 HIS HD2 . . 5.250 4.667 4.515 4.833 . 0 0 "[ . 1 . 2]" 2
441 1 29 ALA HA 1 32 LEU MD1 . . 4.810 4.623 4.419 4.674 . 0 0 "[ . 1 . 2]" 2
442 1 35 HIS H 1 35 HIS HD2 . . 4.110 3.586 3.442 3.726 . 0 0 "[ . 1 . 2]" 2
443 1 31 HIS HD2 1 35 HIS HD2 . . 4.010 3.305 3.166 3.408 . 0 0 "[ . 1 . 2]" 2
444 1 32 LEU HA 1 35 HIS HD2 . . 3.350 2.046 1.993 2.128 . 0 0 "[ . 1 . 2]" 2
445 1 35 HIS HB2 1 35 HIS HD2 . . 3.730 2.692 2.689 2.698 . 0 0 "[ . 1 . 2]" 2
446 1 15 CYS HB2 1 35 HIS HD2 . . 5.320 5.019 4.862 5.206 . 0 0 "[ . 1 . 2]" 2
447 1 17 GLU HG3 1 31 HIS HD2 . . 5.070 4.830 4.628 5.078 0.008 3 0 "[ . 1 . 2]" 2
448 1 17 GLU HG3 1 35 HIS HD2 . . 4.060 2.838 2.341 3.132 . 0 0 "[ . 1 . 2]" 2
449 1 34 LEU HG 1 35 HIS HD2 . . 4.320 4.000 3.761 4.304 . 0 0 "[ . 1 . 2]" 2
450 1 17 GLU HB2 1 35 HIS HD2 . . 3.860 3.398 3.025 3.716 . 0 0 "[ . 1 . 2]" 2
451 1 32 LEU MD2 1 35 HIS HD2 . . 4.720 4.500 4.377 4.693 . 0 0 "[ . 1 . 2]" 2
452 1 13 PHE HB2 1 14 LYS HA . . 5.240 4.666 4.597 4.751 . 0 0 "[ . 1 . 2]" 2
453 1 34 LEU HA 1 37 ARG HB3 . . 4.640 3.174 2.241 4.648 0.008 8 0 "[ . 1 . 2]" 2
454 1 37 ARG HB2 1 37 ARG QD . . 3.660 2.653 2.282 3.214 . 0 0 "[ . 1 . 2]" 2
455 1 37 ARG HB3 1 37 ARG QD . . 3.660 2.361 2.054 3.200 . 0 0 "[ . 1 . 2]" 2
456 1 38 GLU H 1 38 GLU HB3 . . 4.150 3.230 2.628 3.971 . 0 0 "[ . 1 . 2]" 2
457 1 11 ARG HB3 1 12 PRO HD2 . . 4.460 2.023 1.995 2.146 . 0 0 "[ . 1 . 2]" 2
458 1 15 CYS HB3 1 18 CYS H . . 4.030 3.458 3.188 3.767 . 0 0 "[ . 1 . 2]" 2
459 1 15 CYS HB2 1 18 CYS H . . 4.770 4.529 4.439 4.627 . 0 0 "[ . 1 . 2]" 2
460 1 15 CYS HB2 1 19 GLY H . . 4.340 4.126 3.948 4.276 . 0 0 "[ . 1 . 2]" 2
461 1 11 ARG HB3 1 13 PHE H . . 4.530 2.566 2.350 3.072 . 0 0 "[ . 1 . 2]" 2
462 1 15 CYS HB3 1 31 HIS HD2 . . 3.810 3.428 3.262 3.537 . 0 0 "[ . 1 . 2]" 2
463 1 15 CYS HB3 1 22 PHE QE . . 4.360 4.244 4.073 4.363 0.003 7 0 "[ . 1 . 2]" 2
464 1 14 LYS HA 1 15 CYS HB2 . . 4.920 4.563 4.435 4.670 . 0 0 "[ . 1 . 2]" 2
465 1 14 LYS HA 1 15 CYS HB3 . . 4.710 4.547 4.419 4.661 . 0 0 "[ . 1 . 2]" 2
466 1 11 ARG HB2 1 12 PRO HD2 . . 4.740 3.617 3.580 3.698 . 0 0 "[ . 1 . 2]" 2
467 1 11 ARG HB3 1 12 PRO HD3 . . 4.460 3.467 3.444 3.568 . 0 0 "[ . 1 . 2]" 2
468 1 11 ARG HB2 1 12 PRO HD3 . . 4.740 4.697 4.671 4.749 0.009 18 0 "[ . 1 . 2]" 2
469 1 15 CYS HB3 1 20 LYS HB3 . . 4.220 2.728 2.312 3.223 . 0 0 "[ . 1 . 2]" 2
470 1 15 CYS HB3 1 20 LYS HB2 . . 4.220 3.538 3.235 4.069 . 0 0 "[ . 1 . 2]" 2
471 1 15 CYS HB3 1 32 LEU MD1 . . 4.430 3.698 3.473 3.812 . 0 0 "[ . 1 . 2]" 2
472 1 15 CYS HB3 1 28 LEU MD1 . . 3.660 3.455 3.241 3.669 0.009 8 0 "[ . 1 . 2]" 2
473 1 11 ARG HB3 1 12 PRO HA . . 4.890 4.769 4.688 4.847 . 0 0 "[ . 1 . 2]" 2
474 1 17 GLU HB3 1 18 CYS H . . 3.780 3.502 3.432 3.584 . 0 0 "[ . 1 . 2]" 2
475 1 11 ARG HA 1 13 PHE H . . 4.720 4.229 4.084 4.536 . 0 0 "[ . 1 . 2]" 2
476 1 17 GLU HB3 1 35 HIS HD2 . . 4.580 4.223 3.848 4.556 . 0 0 "[ . 1 . 2]" 2
477 1 17 GLU HB2 1 18 CYS HA . . 4.810 4.401 4.300 4.475 . 0 0 "[ . 1 . 2]" 2
478 1 17 GLU H 1 17 GLU HB3 . . 3.790 3.654 3.583 3.808 0.018 13 0 "[ . 1 . 2]" 2
479 1 17 GLU HB2 1 35 HIS HE1 . . 5.010 3.465 3.316 3.603 . 0 0 "[ . 1 . 2]" 2
480 1 20 LYS HD2 1 21 GLY H . . 3.680 2.602 2.049 3.148 . 0 0 "[ . 1 . 2]" 2
481 1 20 LYS HD2 1 22 PHE QE . . 4.790 3.823 2.367 4.457 . 0 0 "[ . 1 . 2]" 2
482 1 20 LYS HD3 1 22 PHE QE . . 4.790 4.421 3.918 4.652 . 0 0 "[ . 1 . 2]" 2
483 1 20 LYS HD3 1 22 PHE HZ . . 5.080 4.776 4.320 5.078 . 0 0 "[ . 1 . 2]" 2
484 1 20 LYS HD2 1 22 PHE HZ . . 5.080 4.109 3.110 5.020 . 0 0 "[ . 1 . 2]" 2
485 1 17 GLU HB3 1 18 CYS HA . . 4.830 4.794 4.733 4.842 0.012 2 0 "[ . 1 . 2]" 2
486 1 20 LYS HA 1 20 LYS HD3 . . 4.250 2.259 1.992 2.860 . 0 0 "[ . 1 . 2]" 2
487 1 20 LYS HA 1 20 LYS HD2 . . 4.250 2.993 2.002 3.671 . 0 0 "[ . 1 . 2]" 2
488 1 11 ARG HA 1 12 PRO HD3 . . 3.440 2.324 2.295 2.353 . 0 0 "[ . 1 . 2]" 2
489 1 17 GLU HB2 1 18 CYS HB3 . . 4.380 3.751 3.678 3.834 . 0 0 "[ . 1 . 2]" 2
490 1 11 ARG HA 1 12 PRO HG3 . . 4.750 4.508 4.467 4.549 . 0 0 "[ . 1 . 2]" 2
491 1 11 ARG HA 1 11 ARG HG2 . . 3.810 3.145 2.696 3.604 . 0 0 "[ . 1 . 2]" 2
492 1 11 ARG HA 1 12 PRO HB3 . . 4.900 4.857 4.845 4.871 . 0 0 "[ . 1 . 2]" 2
493 1 14 LYS HA 1 14 LYS QD . . 4.080 3.733 2.127 4.214 0.134 3 0 "[ . 1 . 2]" 2
494 1 14 LYS QD 1 15 CYS HA . . 5.440 4.712 3.158 5.475 0.035 3 0 "[ . 1 . 2]" 2
495 1 14 LYS QD 1 16 ASN HA . . 5.500 4.154 2.906 5.505 0.005 17 0 "[ . 1 . 2]" 2
496 1 35 HIS HB3 1 35 HIS HD2 . . 3.750 3.705 3.650 3.746 . 0 0 "[ . 1 . 2]" 2
497 1 17 GLU HG3 1 35 HIS HB2 . . 4.850 3.406 2.885 3.731 . 0 0 "[ . 1 . 2]" 2
498 1 32 LEU HB3 1 35 HIS HB2 . . 5.180 3.455 3.352 3.614 . 0 0 "[ . 1 . 2]" 2
499 1 17 GLU HG3 1 35 HIS HB3 . . 4.340 3.430 2.875 3.789 . 0 0 "[ . 1 . 2]" 2
500 1 17 GLU HG2 1 35 HIS HB2 . . 5.440 5.125 4.540 5.451 0.011 8 0 "[ . 1 . 2]" 2
501 1 22 PHE QD 1 31 HIS HB2 . . 4.730 4.298 4.222 4.412 . 0 0 "[ . 1 . 2]" 2
502 1 22 PHE QE 1 31 HIS HB2 . . 4.240 2.877 2.737 2.982 . 0 0 "[ . 1 . 2]" 2
503 1 22 PHE QE 1 31 HIS HB3 . . 4.440 2.981 2.793 3.169 . 0 0 "[ . 1 . 2]" 2
504 1 32 LEU HA 1 35 HIS HB3 . . 4.150 4.115 3.987 4.161 0.011 3 0 "[ . 1 . 2]" 2
505 1 30 GLY HA3 1 31 HIS HB2 . . 5.330 5.118 5.088 5.142 . 0 0 "[ . 1 . 2]" 2
506 1 28 LEU HG 1 31 HIS HB2 . . 5.500 5.343 5.233 5.499 . 0 0 "[ . 1 . 2]" 2
507 1 31 HIS HB2 1 34 LEU HG . . 5.500 5.499 5.448 5.521 0.021 17 0 "[ . 1 . 2]" 2
508 1 28 LEU HG 1 31 HIS HB3 . . 4.370 3.846 3.752 3.983 . 0 0 "[ . 1 . 2]" 2
509 1 17 GLU HB3 1 35 HIS HB3 . . 4.730 4.009 3.421 4.388 . 0 0 "[ . 1 . 2]" 2
510 1 17 GLU HB2 1 35 HIS HB3 . . 5.420 4.747 4.330 5.047 . 0 0 "[ . 1 . 2]" 2
511 1 31 HIS HB2 1 32 LEU MD1 . . 4.350 4.303 4.164 4.357 0.007 1 0 "[ . 1 . 2]" 2
512 1 28 LEU MD1 1 31 HIS HB3 . . 3.850 2.379 2.263 2.486 . 0 0 "[ . 1 . 2]" 2
513 1 28 LEU MD1 1 31 HIS HB2 . . 3.850 3.461 3.309 3.619 . 0 0 "[ . 1 . 2]" 2
514 1 30 GLY HA2 1 33 ARG HG2 . . 4.600 3.919 3.721 4.179 . 0 0 "[ . 1 . 2]" 2
515 1 33 ARG HG2 1 34 LEU H . . 5.330 5.070 4.967 5.188 . 0 0 "[ . 1 . 2]" 2
516 1 33 ARG HG3 1 34 LEU H . . 5.330 4.662 4.464 4.839 . 0 0 "[ . 1 . 2]" 2
517 1 33 ARG H 1 33 ARG HG2 . . 3.730 3.544 3.246 3.750 0.020 14 0 "[ . 1 . 2]" 2
518 1 33 ARG H 1 33 ARG HG3 . . 3.730 2.554 2.263 2.812 . 0 0 "[ . 1 . 2]" 2
519 1 33 ARG HA 1 33 ARG HG2 . . 3.660 2.372 2.217 2.636 . 0 0 "[ . 1 . 2]" 2
520 1 30 GLY HA2 1 33 ARG HG3 . . 4.600 2.277 1.998 2.512 . 0 0 "[ . 1 . 2]" 2
521 1 28 LEU HG 1 32 LEU HG . . 4.580 4.384 4.280 4.543 . 0 0 "[ . 1 . 2]" 2
522 1 13 PHE QE 1 25 ARG QG . . 4.130 2.766 1.964 3.744 . 0 0 "[ . 1 . 2]" 2
523 1 13 PHE QD 1 25 ARG QG . . 4.830 3.992 3.068 4.839 0.009 1 0 "[ . 1 . 2]" 2
524 1 37 ARG H 1 37 ARG QG . . 5.050 2.934 1.985 4.044 . 0 0 "[ . 1 . 2]" 2
525 1 37 ARG QG 1 38 GLU H . . 5.280 2.674 1.803 3.972 . 0 0 "[ . 1 . 2]" 2
526 1 32 LEU HG 1 33 ARG H . . 5.500 5.355 5.245 5.479 . 0 0 "[ . 1 . 2]" 2
527 1 37 ARG HA 1 37 ARG QG . . 3.530 3.062 2.317 3.344 . 0 0 "[ . 1 . 2]" 2
528 1 32 LEU HA 1 32 LEU HG . . 3.840 3.595 3.579 3.633 . 0 0 "[ . 1 . 2]" 2
529 1 11 ARG HA 1 11 ARG HG3 . . 3.810 3.053 2.182 3.734 . 0 0 "[ . 1 . 2]" 2
530 1 34 LEU H 1 34 LEU HG . . 3.450 1.974 1.897 2.130 . 0 0 "[ . 1 . 2]" 2
531 1 24 ARG QG 1 27 HIS H . . 4.790 4.563 4.259 4.777 . 0 0 "[ . 1 . 2]" 2
532 1 12 PRO HG2 1 23 GLY HA2 . . 4.640 2.705 2.152 3.188 . 0 0 "[ . 1 . 2]" 2
533 1 15 CYS H 1 28 LEU MD2 . . 4.780 4.024 3.841 4.311 . 0 0 "[ . 1 . 2]" 2
534 1 12 PRO HG3 1 13 PHE QD . . 4.230 3.422 3.309 3.509 . 0 0 "[ . 1 . 2]" 2
535 1 14 LYS HA 1 28 LEU MD2 . . 4.700 3.387 3.253 3.603 . 0 0 "[ . 1 . 2]" 2
536 1 22 PHE HB2 1 28 LEU MD2 . . 4.550 3.925 3.736 4.233 . 0 0 "[ . 1 . 2]" 2
537 1 28 LEU HA 1 28 LEU MD2 . . 4.260 4.007 3.989 4.030 . 0 0 "[ . 1 . 2]" 2
538 1 13 PHE HB3 1 28 LEU MD2 . . 3.290 1.852 1.774 1.933 . 0 0 "[ . 1 . 2]" 2
539 1 13 PHE HB2 1 28 LEU MD2 . . 3.370 2.895 2.679 3.088 . 0 0 "[ . 1 . 2]" 2
540 1 28 LEU MD2 1 29 ALA H . . 4.200 3.792 3.686 3.923 . 0 0 "[ . 1 . 2]" 2
541 1 22 PHE QD 1 28 LEU MD2 . . 4.060 3.473 3.314 3.629 . 0 0 "[ . 1 . 2]" 2
542 1 12 PRO HD2 1 13 PHE QD . . 4.900 4.092 3.971 4.208 . 0 0 "[ . 1 . 2]" 2
543 1 20 LYS HG2 1 22 PHE QE . . 4.330 2.740 2.028 4.343 0.013 10 0 "[ . 1 . 2]" 2
544 1 20 LYS HG3 1 22 PHE QE . . 4.330 2.425 2.195 3.201 . 0 0 "[ . 1 . 2]" 2
545 1 11 ARG HA 1 12 PRO HD2 . . 3.440 2.459 2.392 2.521 . 0 0 "[ . 1 . 2]" 2
546 1 12 PRO HD3 1 23 GLY HA2 . . 4.800 3.021 2.828 3.254 . 0 0 "[ . 1 . 2]" 2
547 1 12 PRO HD3 1 23 GLY HA3 . . 4.800 4.500 4.258 4.814 0.014 1 0 "[ . 1 . 2]" 2
548 1 20 LYS HA 1 20 LYS HG2 . . 3.900 3.516 2.548 3.823 . 0 0 "[ . 1 . 2]" 2
549 1 20 LYS HG3 1 21 GLY H . . 5.100 2.567 1.894 4.594 . 0 0 "[ . 1 . 2]" 2
550 1 20 LYS HG2 1 21 GLY H . . 5.100 3.725 3.501 4.207 . 0 0 "[ . 1 . 2]" 2
551 1 20 LYS HG2 1 22 PHE HZ . . 4.780 2.585 1.997 4.544 . 0 0 "[ . 1 . 2]" 2
552 1 42 GLY QA 1 43 PRO QD . . 2.980 1.965 1.859 2.138 . 0 0 "[ . 1 . 2]" 2
553 1 32 LEU H 1 32 LEU MD2 . . 3.630 2.213 1.880 2.291 . 0 0 "[ . 1 . 2]" 2
554 1 32 LEU MD2 1 33 ARG H . . 4.010 3.725 3.492 3.827 . 0 0 "[ . 1 . 2]" 2
555 1 32 LEU HB3 1 32 LEU MD2 . . 3.150 3.092 3.084 3.110 . 0 0 "[ . 1 . 2]" 2
556 1 28 LEU HG 1 32 LEU MD2 . . 2.970 1.994 1.906 2.107 . 0 0 "[ . 1 . 2]" 2
557 1 34 LEU H 1 34 LEU MD2 . . 3.640 3.224 3.070 3.313 . 0 0 "[ . 1 . 2]" 2
558 1 31 HIS HA 1 34 LEU MD2 . . 3.610 2.488 2.204 2.704 . 0 0 "[ . 1 . 2]" 2
559 1 34 LEU HA 1 34 LEU MD2 . . 4.260 4.064 4.023 4.100 . 0 0 "[ . 1 . 2]" 2
560 1 31 HIS HB2 1 34 LEU MD2 . . 4.400 4.182 4.029 4.351 . 0 0 "[ . 1 . 2]" 2
561 1 34 LEU HB3 1 34 LEU MD2 . . 3.080 2.157 2.025 2.240 . 0 0 "[ . 1 . 2]" 2
562 1 34 LEU HB2 1 34 LEU MD2 . . 3.070 2.587 2.518 2.666 . 0 0 "[ . 1 . 2]" 2
563 1 34 LEU MD2 1 35 HIS H . . 4.450 4.129 3.993 4.329 . 0 0 "[ . 1 . 2]" 2
564 1 32 LEU HA 1 34 LEU MD2 . . 4.950 4.773 4.664 4.923 . 0 0 "[ . 1 . 2]" 2
565 1 33 ARG QB 1 34 LEU MD2 . . 4.580 4.513 4.335 4.601 0.021 17 0 "[ . 1 . 2]" 2
566 1 17 GLU H 1 32 LEU MD1 . . 4.420 3.720 3.328 4.152 . 0 0 "[ . 1 . 2]" 2
567 1 32 LEU H 1 32 LEU MD1 . . 3.500 2.807 2.678 2.851 . 0 0 "[ . 1 . 2]" 2
568 1 32 LEU MD1 1 34 LEU H . . 5.210 4.985 4.886 5.094 . 0 0 "[ . 1 . 2]" 2
569 1 31 HIS HD2 1 32 LEU MD1 . . 3.380 1.952 1.901 2.003 . 0 0 "[ . 1 . 2]" 2
570 1 22 PHE QE 1 32 LEU MD1 . . 4.550 4.310 4.211 4.429 . 0 0 "[ . 1 . 2]" 2
571 1 32 LEU MD1 1 35 HIS HD2 . . 3.150 2.169 2.032 2.323 . 0 0 "[ . 1 . 2]" 2
572 1 14 LYS HA 1 14 LYS HG2 . . 4.050 2.837 2.227 3.872 . 0 0 "[ . 1 . 2]" 2
573 1 15 CYS HA 1 32 LEU MD1 . . 3.700 3.053 2.843 3.292 . 0 0 "[ . 1 . 2]" 2
574 1 39 LYS HA 1 39 LYS HG2 . . 4.060 3.027 2.193 4.169 0.109 12 0 "[ . 1 . 2]" 2
575 1 39 LYS HA 1 39 LYS HG3 . . 4.060 3.127 2.255 3.824 . 0 0 "[ . 1 . 2]" 2
576 1 32 LEU HA 1 32 LEU MD1 . . 2.890 1.957 1.927 2.027 . 0 0 "[ . 1 . 2]" 2
577 1 14 LYS HG3 1 19 GLY HA2 . . 4.580 3.891 3.053 4.536 . 0 0 "[ . 1 . 2]" 2
578 1 32 LEU MD1 1 35 HIS HB2 . . 3.870 3.512 3.381 3.631 . 0 0 "[ . 1 . 2]" 2
579 1 31 HIS HB3 1 32 LEU MD1 . . 3.840 2.991 2.728 3.072 . 0 0 "[ . 1 . 2]" 2
580 1 15 CYS HB2 1 32 LEU MD1 . . 3.690 2.477 2.163 2.662 . 0 0 "[ . 1 . 2]" 2
581 1 17 GLU HG3 1 32 LEU MD1 . . 3.200 2.264 1.973 2.648 . 0 0 "[ . 1 . 2]" 2
582 1 17 GLU HG2 1 32 LEU MD1 . . 3.980 2.816 2.537 3.097 . 0 0 "[ . 1 . 2]" 2
583 1 14 LYS HG3 1 15 CYS H . . 4.410 3.120 1.921 4.163 . 0 0 "[ . 1 . 2]" 2
584 1 14 LYS HA 1 14 LYS HG3 . . 4.050 3.011 2.621 3.641 . 0 0 "[ . 1 . 2]" 2
585 1 27 HIS HA 1 27 HIS HD2 . . 3.450 2.370 2.112 2.707 . 0 0 "[ . 1 . 2]" 2
586 1 27 HIS H 1 27 HIS HD2 . . 4.320 3.217 2.782 3.628 . 0 0 "[ . 1 . 2]" 2
587 1 17 GLU HG2 1 19 GLY H . . 5.500 5.467 5.327 5.549 0.049 11 0 "[ . 1 . 2]" 2
588 1 17 GLU HG3 1 35 HIS HE1 . . 5.080 4.851 4.628 5.035 . 0 0 "[ . 1 . 2]" 2
589 1 18 CYS H 1 35 HIS HE1 . . 4.590 4.336 4.064 4.554 . 0 0 "[ . 1 . 2]" 2
590 1 20 LYS HB3 1 22 PHE HZ . . 4.580 3.781 3.381 4.117 . 0 0 "[ . 1 . 2]" 2
591 1 20 LYS HB2 1 22 PHE QE . . 4.120 3.693 3.463 4.064 . 0 0 "[ . 1 . 2]" 2
592 1 9 GLY QA 1 10 GLU QB . . 4.640 4.161 3.772 4.584 . 0 0 "[ . 1 . 2]" 2
593 1 9 GLY QA 1 10 GLU QG . . 4.540 4.054 3.500 4.499 . 0 0 "[ . 1 . 2]" 2
594 1 10 GLU H 1 10 GLU QB . . 3.640 2.427 2.189 3.188 . 0 0 "[ . 1 . 2]" 2
595 1 10 GLU HA 1 10 GLU QG . . 3.470 2.449 2.201 3.338 . 0 0 "[ . 1 . 2]" 2
596 1 11 ARG HA 1 11 ARG QD . . 3.510 2.578 1.977 3.333 . 0 0 "[ . 1 . 2]" 2
597 1 11 ARG HA 1 12 PRO QD . . 2.950 2.125 2.085 2.162 . 0 0 "[ . 1 . 2]" 2
598 1 11 ARG HB2 1 12 PRO QD . . 3.990 3.504 3.472 3.576 . 0 0 "[ . 1 . 2]" 2
599 1 11 ARG HB2 1 21 GLY QA . . 4.130 2.982 2.515 3.258 . 0 0 "[ . 1 . 2]" 2
600 1 11 ARG HB3 1 21 GLY QA . . 4.330 3.599 3.286 3.902 . 0 0 "[ . 1 . 2]" 2
601 1 11 ARG QG 1 12 PRO QD . . 4.170 3.014 2.384 3.527 . 0 0 "[ . 1 . 2]" 2
602 1 11 ARG QG 1 21 GLY QA . . 4.580 3.065 2.564 3.708 . 0 0 "[ . 1 . 2]" 2
603 1 11 ARG QD 1 22 PHE H . . 4.990 4.356 3.595 5.001 0.011 17 0 "[ . 1 . 2]" 2
604 1 12 PRO HB3 1 23 GLY QA . . 5.340 4.667 4.251 5.094 . 0 0 "[ . 1 . 2]" 2
605 1 12 PRO HG2 1 23 GLY QA . . 3.840 2.673 2.140 3.134 . 0 0 "[ . 1 . 2]" 2
606 1 12 PRO HG3 1 23 GLY QA . . 3.870 2.649 2.155 3.129 . 0 0 "[ . 1 . 2]" 2
607 1 12 PRO QD 1 13 PHE H . . 3.580 2.615 2.601 2.692 . 0 0 "[ . 1 . 2]" 2
608 1 12 PRO QD 1 13 PHE QD . . 4.160 3.878 3.771 3.965 . 0 0 "[ . 1 . 2]" 2
609 1 12 PRO QD 1 23 GLY QA . . 3.290 2.143 1.951 2.362 . 0 0 "[ . 1 . 2]" 2
610 1 13 PHE H 1 21 GLY QA . . 5.170 4.599 4.128 4.963 . 0 0 "[ . 1 . 2]" 2
611 1 13 PHE H 1 23 GLY QA . . 5.040 4.061 3.746 4.560 . 0 0 "[ . 1 . 2]" 2
612 1 13 PHE QD 1 25 ARG QB . . 4.540 4.061 3.642 4.482 . 0 0 "[ . 1 . 2]" 2
613 1 13 PHE QE 1 25 ARG QB . . 3.800 2.879 2.022 3.344 . 0 0 "[ . 1 . 2]" 2
614 1 13 PHE HZ 1 25 ARG QB . . 4.000 2.661 2.197 3.116 . 0 0 "[ . 1 . 2]" 2
615 1 14 LYS H 1 14 LYS QB . . 3.090 2.772 2.730 2.814 . 0 0 "[ . 1 . 2]" 2
616 1 14 LYS H 1 14 LYS QG . . 4.580 4.211 4.067 4.330 . 0 0 "[ . 1 . 2]" 2
617 1 14 LYS HA 1 21 GLY QA . . 3.950 2.220 1.978 2.499 . 0 0 "[ . 1 . 2]" 2
618 1 14 LYS QB 1 14 LYS QE . . 3.850 3.378 2.251 3.734 . 0 0 "[ . 1 . 2]" 2
619 1 14 LYS QB 1 15 CYS H . . 3.660 3.424 3.247 3.561 . 0 0 "[ . 1 . 2]" 2
620 1 14 LYS QB 1 21 GLY QA . . 4.390 3.667 3.263 4.141 . 0 0 "[ . 1 . 2]" 2
621 1 14 LYS QB 1 28 LEU MD2 . . 4.540 4.293 4.214 4.405 . 0 0 "[ . 1 . 2]" 2
622 1 14 LYS QE 1 14 LYS QG . . 3.040 2.212 2.036 2.521 . 0 0 "[ . 1 . 2]" 2
623 1 14 LYS QG 1 15 CYS H . . 3.700 2.041 1.786 2.624 . 0 0 "[ . 1 . 2]" 2
624 1 14 LYS QG 1 19 GLY HA2 . . 3.870 3.053 2.752 3.663 . 0 0 "[ . 1 . 2]" 2
625 1 14 LYS QG 1 19 GLY HA3 . . 4.590 4.291 3.974 4.615 0.025 5 0 "[ . 1 . 2]" 2
626 1 14 LYS QG 1 21 GLY QA . . 4.320 3.453 2.882 4.325 0.005 4 0 "[ . 1 . 2]" 2
627 1 15 CYS H 1 21 GLY QA . . 4.610 3.430 2.957 3.604 . 0 0 "[ . 1 . 2]" 2
628 1 15 CYS HB2 1 20 LYS QB . . 3.980 2.847 2.467 3.257 . 0 0 "[ . 1 . 2]" 2
629 1 16 ASN HA 1 16 ASN QD . . 4.600 3.367 2.273 4.110 . 0 0 "[ . 1 . 2]" 2
630 1 19 GLY H 1 20 LYS QB . . 3.710 3.607 3.562 3.657 . 0 0 "[ . 1 . 2]" 2
631 1 20 LYS H 1 20 LYS QB . . 3.030 2.250 2.186 2.322 . 0 0 "[ . 1 . 2]" 2
632 1 20 LYS H 1 20 LYS QG . . 4.630 4.028 3.910 4.072 . 0 0 "[ . 1 . 2]" 2
633 1 20 LYS HA 1 20 LYS QD . . 3.680 2.067 1.966 2.317 . 0 0 "[ . 1 . 2]" 2
634 1 20 LYS HA 1 20 LYS QE . . 4.130 3.801 3.283 4.118 . 0 0 "[ . 1 . 2]" 2
635 1 20 LYS HA 1 21 GLY QA . . 4.420 3.904 3.891 3.916 . 0 0 "[ . 1 . 2]" 2
636 1 20 LYS QB 1 20 LYS QE . . 4.570 2.972 1.971 3.794 . 0 0 "[ . 1 . 2]" 2
637 1 20 LYS QB 1 21 GLY H . . 4.250 3.425 3.223 3.741 . 0 0 "[ . 1 . 2]" 2
638 1 20 LYS QB 1 22 PHE QE . . 3.450 2.228 2.036 2.628 . 0 0 "[ . 1 . 2]" 2
639 1 20 LYS QB 1 31 HIS HE1 . . 3.510 2.845 2.613 3.072 . 0 0 "[ . 1 . 2]" 2
640 1 20 LYS QE 1 20 LYS QG . . 3.000 2.193 2.038 2.491 . 0 0 "[ . 1 . 2]" 2
641 1 20 LYS QG 1 21 GLY H . . 4.300 2.387 1.887 3.818 . 0 0 "[ . 1 . 2]" 2
642 1 20 LYS QG 1 22 PHE QE . . 3.800 2.235 1.874 3.122 . 0 0 "[ . 1 . 2]" 2
643 1 20 LYS QG 1 22 PHE HZ . . 3.920 2.207 1.977 2.795 . 0 0 "[ . 1 . 2]" 2
644 1 20 LYS QG 1 31 HIS HB2 . . 4.770 3.800 3.322 4.568 . 0 0 "[ . 1 . 2]" 2
645 1 20 LYS QG 1 31 HIS HD2 . . 5.340 4.128 3.810 4.798 . 0 0 "[ . 1 . 2]" 2
646 1 20 LYS QG 1 31 HIS HE1 . . 4.260 3.002 2.475 3.324 . 0 0 "[ . 1 . 2]" 2
647 1 20 LYS QD 1 22 PHE QE . . 4.130 3.559 2.350 4.024 . 0 0 "[ . 1 . 2]" 2
648 1 20 LYS QD 1 22 PHE HZ . . 4.330 3.819 3.064 4.302 . 0 0 "[ . 1 . 2]" 2
649 1 20 LYS QE 1 21 GLY H . . 4.260 3.978 3.173 4.272 0.012 17 0 "[ . 1 . 2]" 2
650 1 20 LYS QE 1 22 PHE QE . . 4.410 3.689 3.010 4.298 . 0 0 "[ . 1 . 2]" 2
651 1 20 LYS QE 1 22 PHE HZ . . 4.270 3.227 2.740 3.988 . 0 0 "[ . 1 . 2]" 2
652 1 20 LYS QE 1 31 HIS HE1 . . 4.460 3.350 1.963 4.471 0.011 10 0 "[ . 1 . 2]" 2
653 1 21 GLY QA 1 22 PHE H . . 3.090 2.160 2.141 2.197 . 0 0 "[ . 1 . 2]" 2
654 1 21 GLY QA 1 22 PHE QD . . 4.410 2.848 2.521 3.071 . 0 0 "[ . 1 . 2]" 2
655 1 23 GLY QA 1 24 ARG QG . . 4.690 3.653 3.243 4.712 0.022 15 0 "[ . 1 . 2]" 2
656 1 24 ARG H 1 24 ARG QD . . 4.280 3.573 2.002 4.284 0.004 20 0 "[ . 1 . 2]" 2
657 1 24 ARG QD 1 27 HIS HE1 . . 4.250 3.256 2.307 4.262 0.012 1 0 "[ . 1 . 2]" 2
658 1 25 ARG QB 1 25 ARG HD3 . . 3.590 2.888 2.376 3.448 . 0 0 "[ . 1 . 2]" 2
659 1 25 ARG QB 1 27 HIS H . . 5.340 4.408 4.246 4.571 . 0 0 "[ . 1 . 2]" 2
660 1 26 SER QB 1 27 HIS H . . 4.340 3.093 2.665 3.569 . 0 0 "[ . 1 . 2]" 2
661 1 26 SER QB 1 27 HIS HA . . 4.940 4.305 3.906 4.623 . 0 0 "[ . 1 . 2]" 2
662 1 26 SER QB 1 29 ALA MB . . 4.060 3.846 3.618 4.064 0.004 19 0 "[ . 1 . 2]" 2
663 1 29 ALA MB 1 33 ARG QG . . 4.360 4.018 3.753 4.239 . 0 0 "[ . 1 . 2]" 2
664 1 30 GLY H 1 33 ARG QG . . 4.800 4.552 4.272 4.801 0.001 11 0 "[ . 1 . 2]" 2
665 1 30 GLY HA3 1 33 ARG QG . . 4.730 3.941 3.683 4.161 . 0 0 "[ . 1 . 2]" 2
666 1 32 LEU MD2 1 33 ARG QG . . 5.340 4.504 4.240 4.773 . 0 0 "[ . 1 . 2]" 2
667 1 33 ARG HA 1 33 ARG QG . . 3.100 2.281 2.177 2.390 . 0 0 "[ . 1 . 2]" 2
668 1 33 ARG QG 1 34 LEU H . . 4.670 4.305 4.179 4.406 . 0 0 "[ . 1 . 2]" 2
669 1 34 LEU HA 1 37 ARG QB . . 3.970 2.840 2.224 3.523 . 0 0 "[ . 1 . 2]" 2
670 1 35 HIS H 1 36 SER QB . . 5.010 4.600 4.245 5.018 0.008 14 0 "[ . 1 . 2]" 2
671 1 36 SER QB 1 39 LYS QG . . 4.720 3.994 2.814 4.723 0.003 8 0 "[ . 1 . 2]" 2
672 1 36 SER QB 1 39 LYS QD . . 4.810 3.989 3.383 4.622 . 0 0 "[ . 1 . 2]" 2
673 1 37 ARG QB 1 38 GLU H . . 4.390 3.108 2.144 3.776 . 0 0 "[ . 1 . 2]" 2
674 1 38 GLU H 1 38 GLU QB . . 3.610 2.634 2.253 3.065 . 0 0 "[ . 1 . 2]" 2
675 1 38 GLU H 1 38 GLU QG . . 4.430 3.395 1.893 4.313 . 0 0 "[ . 1 . 2]" 2
676 1 38 GLU HA 1 38 GLU QG . . 3.530 2.615 2.179 3.339 . 0 0 "[ . 1 . 2]" 2
677 1 38 GLU QB 1 39 LYS HA . . 4.570 4.357 3.825 4.579 0.009 1 0 "[ . 1 . 2]" 2
678 1 38 GLU QG 1 39 LYS H . . 5.050 4.212 2.119 4.737 . 0 0 "[ . 1 . 2]" 2
679 1 39 LYS HA 1 39 LYS QG . . 3.560 2.588 2.157 3.373 . 0 0 "[ . 1 . 2]" 2
680 1 39 LYS QB 1 40 SER QB . . 5.020 4.265 3.300 5.026 0.006 16 0 "[ . 1 . 2]" 2
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