NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
508327 |
2eos   |
10157 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2eos
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 50
_Distance_constraint_stats_list.Viol_total 1.766
_Distance_constraint_stats_list.Viol_max 0.008
_Distance_constraint_stats_list.Viol_rms 0.0011
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0004
_Distance_constraint_stats_list.Viol_average_violations_only 0.0018
_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 14 CYS 0.022 0.003 18 0 "[ . 1 . 2]"
1 17 CYS 0.046 0.008 17 0 "[ . 1 . 2]"
1 30 HIS 0.018 0.005 18 0 "[ . 1 . 2]"
1 34 HIS 0.041 0.005 18 0 "[ . 1 . 2]"
2 1 ZN 0.050 0.008 17 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 14 CYS SG 2 1 ZN ZN . 2.190 2.390 2.360 2.306 2.393 0.003 18 0 "[ . 1 . 2]" 1
2 1 14 CYS CB 2 1 ZN ZN . 3.250 3.510 3.381 3.253 3.458 . 0 0 "[ . 1 . 2]" 1
3 1 17 CYS SG 2 1 ZN ZN . 2.190 2.390 2.195 2.184 2.230 0.006 17 0 "[ . 1 . 2]" 1
4 1 17 CYS CB 2 1 ZN ZN . 3.250 3.510 3.505 3.476 3.518 0.008 17 0 "[ . 1 . 2]" 1
5 1 30 HIS NE2 2 1 ZN ZN . . 2.100 2.057 1.929 2.102 0.002 12 0 "[ . 1 . 2]" 1
6 1 34 HIS NE2 2 1 ZN ZN . . 2.100 1.951 1.898 2.044 0.002 15 0 "[ . 1 . 2]" 1
7 1 14 CYS SG 1 17 CYS SG . 3.560 3.960 3.731 3.603 3.925 . 0 0 "[ . 1 . 2]" 1
8 1 14 CYS SG 1 30 HIS NE2 . 3.320 3.720 3.609 3.462 3.671 . 0 0 "[ . 1 . 2]" 1
9 1 14 CYS SG 1 34 HIS NE2 . 3.320 3.720 3.711 3.646 3.723 0.003 13 0 "[ . 1 . 2]" 1
10 1 17 CYS SG 1 30 HIS NE2 . 3.320 3.720 3.578 3.433 3.719 . 0 0 "[ . 1 . 2]" 1
11 1 17 CYS SG 1 34 HIS NE2 . 3.320 3.720 3.324 3.318 3.358 0.002 4 0 "[ . 1 . 2]" 1
12 1 30 HIS NE2 1 34 HIS NE2 . 3.000 3.600 3.004 2.995 3.036 0.005 18 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 631
_Distance_constraint_stats_list.Viol_count 383
_Distance_constraint_stats_list.Viol_total 78.435
_Distance_constraint_stats_list.Viol_max 0.097
_Distance_constraint_stats_list.Viol_rms 0.0030
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0003
_Distance_constraint_stats_list.Viol_average_violations_only 0.0102
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 8 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 LYS 0.044 0.027 18 0 "[ . 1 . 2]"
1 11 PRO 0.929 0.048 10 0 "[ . 1 . 2]"
1 12 TYR 1.224 0.079 15 0 "[ . 1 . 2]"
1 13 PRO 0.630 0.079 15 0 "[ . 1 . 2]"
1 14 CYS 0.231 0.030 18 0 "[ . 1 . 2]"
1 15 GLU 0.256 0.073 19 0 "[ . 1 . 2]"
1 16 ILE 0.281 0.073 19 0 "[ . 1 . 2]"
1 17 CYS 0.336 0.032 12 0 "[ . 1 . 2]"
1 18 GLY 0.232 0.032 12 0 "[ . 1 . 2]"
1 19 THR 0.118 0.025 15 0 "[ . 1 . 2]"
1 20 ARG 0.463 0.048 10 0 "[ . 1 . 2]"
1 21 PHE 0.071 0.009 17 0 "[ . 1 . 2]"
1 22 ARG 0.173 0.061 20 0 "[ . 1 . 2]"
1 23 HIS 0.025 0.009 13 0 "[ . 1 . 2]"
1 24 LEU 0.377 0.097 13 0 "[ . 1 . 2]"
1 25 GLN 0.013 0.007 14 0 "[ . 1 . 2]"
1 26 THR 0.027 0.007 20 0 "[ . 1 . 2]"
1 27 LEU 0.162 0.025 15 0 "[ . 1 . 2]"
1 28 LYS 0.041 0.009 15 0 "[ . 1 . 2]"
1 29 SER 0.005 0.003 19 0 "[ . 1 . 2]"
1 30 HIS 0.155 0.014 11 0 "[ . 1 . 2]"
1 31 LEU 0.491 0.049 12 0 "[ . 1 . 2]"
1 32 ARG 0.259 0.020 9 0 "[ . 1 . 2]"
1 33 ILE 0.414 0.075 11 0 "[ . 1 . 2]"
1 34 HIS 0.475 0.075 11 0 "[ . 1 . 2]"
1 35 THR 0.013 0.008 12 0 "[ . 1 . 2]"
1 38 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 39 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 27 LEU H 1 28 LYS HB2 . . 4.930 4.801 4.665 4.921 . 0 0 "[ . 1 . 2]" 2
2 1 27 LEU H 1 28 LYS H . . 3.570 2.841 2.767 2.926 . 0 0 "[ . 1 . 2]" 2
3 1 21 PHE QD 1 27 LEU H . . 4.330 4.257 4.110 4.336 0.006 14 0 "[ . 1 . 2]" 2
4 1 26 THR HB 1 27 LEU H . . 3.660 2.490 2.330 2.655 . 0 0 "[ . 1 . 2]" 2
5 1 24 LEU HA 1 27 LEU H . . 3.740 3.094 2.936 3.344 . 0 0 "[ . 1 . 2]" 2
6 1 27 LEU H 1 27 LEU HB3 . . 3.400 2.380 2.317 2.429 . 0 0 "[ . 1 . 2]" 2
7 1 27 LEU H 1 27 LEU HG . . 4.640 4.402 4.344 4.442 . 0 0 "[ . 1 . 2]" 2
8 1 27 LEU H 1 27 LEU HB2 . . 3.330 2.639 2.591 2.704 . 0 0 "[ . 1 . 2]" 2
9 1 27 LEU H 1 27 LEU MD2 . . 4.250 4.194 4.165 4.239 . 0 0 "[ . 1 . 2]" 2
10 1 30 HIS H 1 32 ARG H . . 4.520 4.076 3.954 4.197 . 0 0 "[ . 1 . 2]" 2
11 1 30 HIS H 1 30 HIS HD2 . . 4.660 4.578 4.508 4.669 0.009 3 0 "[ . 1 . 2]" 2
12 1 21 PHE QE 1 30 HIS H . . 4.930 4.898 4.817 4.939 0.009 17 0 "[ . 1 . 2]" 2
13 1 19 THR HA 1 20 ARG H . . 3.000 2.159 2.141 2.200 . 0 0 "[ . 1 . 2]" 2
14 1 29 SER QB 1 30 HIS H . . 3.420 3.019 2.805 3.131 . 0 0 "[ . 1 . 2]" 2
15 1 19 THR HB 1 20 ARG H . . 4.600 4.278 4.144 4.435 . 0 0 "[ . 1 . 2]" 2
16 1 20 ARG H 1 20 ARG HD2 . . 4.490 3.701 3.254 4.458 . 0 0 "[ . 1 . 2]" 2
17 1 30 HIS H 1 30 HIS HB2 . . 3.250 3.006 2.898 3.043 . 0 0 "[ . 1 . 2]" 2
18 1 20 ARG H 1 20 ARG HD3 . . 4.490 4.270 4.087 4.484 . 0 0 "[ . 1 . 2]" 2
19 1 14 CYS HB2 1 20 ARG H . . 5.350 5.231 5.105 5.300 . 0 0 "[ . 1 . 2]" 2
20 1 30 HIS H 1 30 HIS HB3 . . 3.330 2.189 2.172 2.215 . 0 0 "[ . 1 . 2]" 2
21 1 30 HIS H 1 31 LEU HG . . 4.460 3.669 3.573 3.909 . 0 0 "[ . 1 . 2]" 2
22 1 20 ARG H 1 20 ARG HB2 . . 4.110 2.641 2.505 2.750 . 0 0 "[ . 1 . 2]" 2
23 1 20 ARG H 1 20 ARG HG3 . . 4.240 2.205 1.949 2.439 . 0 0 "[ . 1 . 2]" 2
24 1 20 ARG H 1 20 ARG HB3 . . 3.810 3.655 3.615 3.709 . 0 0 "[ . 1 . 2]" 2
25 1 26 THR MG 1 30 HIS H . . 4.240 4.181 4.018 4.244 0.004 13 0 "[ . 1 . 2]" 2
26 1 20 ARG H 1 20 ARG HG2 . . 3.900 3.653 3.252 3.879 . 0 0 "[ . 1 . 2]" 2
27 1 27 LEU MD1 1 30 HIS H . . 4.010 3.637 3.432 3.797 . 0 0 "[ . 1 . 2]" 2
28 1 13 PRO HA 1 20 ARG H . . 4.540 3.965 3.782 4.203 . 0 0 "[ . 1 . 2]" 2
29 1 14 CYS H 1 18 GLY H . . 4.550 4.095 4.023 4.219 . 0 0 "[ . 1 . 2]" 2
30 1 14 CYS H 1 19 THR H . . 4.450 4.115 3.975 4.287 . 0 0 "[ . 1 . 2]" 2
31 1 14 CYS H 1 21 PHE QD . . 4.680 4.207 3.775 4.420 . 0 0 "[ . 1 . 2]" 2
32 1 13 PRO HA 1 14 CYS H . . 3.310 2.217 2.162 2.265 . 0 0 "[ . 1 . 2]" 2
33 1 14 CYS H 1 18 GLY HA2 . . 4.430 3.227 2.911 3.472 . 0 0 "[ . 1 . 2]" 2
34 1 14 CYS H 1 19 THR HB . . 4.980 4.640 4.431 4.875 . 0 0 "[ . 1 . 2]" 2
35 1 14 CYS H 1 14 CYS HB3 . . 3.520 2.375 2.305 2.448 . 0 0 "[ . 1 . 2]" 2
36 1 14 CYS H 1 14 CYS HB2 . . 3.510 2.733 2.607 2.883 . 0 0 "[ . 1 . 2]" 2
37 1 13 PRO HB2 1 14 CYS H . . 4.130 3.177 2.998 3.452 . 0 0 "[ . 1 . 2]" 2
38 1 13 PRO HB3 1 14 CYS H . . 4.130 3.772 3.664 3.945 . 0 0 "[ . 1 . 2]" 2
39 1 14 CYS H 1 20 ARG HG3 . . 4.410 3.722 3.469 4.340 . 0 0 "[ . 1 . 2]" 2
40 1 14 CYS H 1 20 ARG HG2 . . 4.340 3.826 3.585 4.010 . 0 0 "[ . 1 . 2]" 2
41 1 16 ILE H 1 17 CYS HA . . 5.500 5.387 5.362 5.416 . 0 0 "[ . 1 . 2]" 2
42 1 14 CYS HB2 1 16 ILE H . . 4.710 4.708 4.685 4.714 0.004 3 0 "[ . 1 . 2]" 2
43 1 15 GLU QG 1 16 ILE H . . 4.460 3.022 1.932 3.464 . 0 0 "[ . 1 . 2]" 2
44 1 15 GLU HB3 1 16 ILE H . . 4.720 3.121 2.686 4.038 . 0 0 "[ . 1 . 2]" 2
45 1 15 GLU H 1 16 ILE H . . 4.110 2.157 2.125 2.202 . 0 0 "[ . 1 . 2]" 2
46 1 16 ILE H 1 18 GLY H . . 4.210 4.089 4.006 4.189 . 0 0 "[ . 1 . 2]" 2
47 1 14 CYS HB3 1 16 ILE H . . 4.760 4.381 4.209 4.506 . 0 0 "[ . 1 . 2]" 2
48 1 15 GLU HB2 1 16 ILE H . . 4.720 3.912 2.737 4.089 . 0 0 "[ . 1 . 2]" 2
49 1 16 ILE H 1 16 ILE HG12 . . 4.000 3.794 3.688 3.835 . 0 0 "[ . 1 . 2]" 2
50 1 16 ILE H 1 16 ILE HB . . 3.410 2.549 2.515 2.643 . 0 0 "[ . 1 . 2]" 2
51 1 9 GLU H 1 9 GLU HG2 . . 5.410 3.570 2.260 4.865 . 0 0 "[ . 1 . 2]" 2
52 1 9 GLU H 1 9 GLU HG3 . . 5.410 3.626 2.016 4.671 . 0 0 "[ . 1 . 2]" 2
53 1 14 CYS HB2 1 19 THR H . . 4.230 3.821 3.656 4.033 . 0 0 "[ . 1 . 2]" 2
54 1 19 THR H 1 19 THR MG . . 4.240 3.772 3.753 3.787 . 0 0 "[ . 1 . 2]" 2
55 1 15 GLU H 1 18 GLY HA2 . . 4.730 4.728 4.656 4.746 0.016 10 0 "[ . 1 . 2]" 2
56 1 14 CYS HB3 1 15 GLU H . . 4.740 3.742 3.670 3.822 . 0 0 "[ . 1 . 2]" 2
57 1 14 CYS HB2 1 15 GLU H . . 4.470 3.713 3.666 3.764 . 0 0 "[ . 1 . 2]" 2
58 1 15 GLU H 1 15 GLU QG . . 3.960 3.325 1.950 3.934 . 0 0 "[ . 1 . 2]" 2
59 1 15 GLU H 1 15 GLU HB2 . . 4.000 3.212 2.949 3.696 . 0 0 "[ . 1 . 2]" 2
60 1 15 GLU H 1 15 GLU HB3 . . 4.000 2.555 2.308 3.669 . 0 0 "[ . 1 . 2]" 2
61 1 15 GLU H 1 31 LEU MD2 . . 4.510 3.219 3.083 3.339 . 0 0 "[ . 1 . 2]" 2
62 1 15 GLU H 1 27 LEU MD1 . . 4.130 3.380 3.250 3.518 . 0 0 "[ . 1 . 2]" 2
63 1 33 ILE H 1 34 HIS H . . 3.240 2.485 2.327 2.623 . 0 0 "[ . 1 . 2]" 2
64 1 34 HIS H 1 35 THR H . . 3.960 2.537 2.313 2.825 . 0 0 "[ . 1 . 2]" 2
65 1 34 HIS H 1 34 HIS HD2 . . 4.000 3.838 3.609 4.003 0.003 12 0 "[ . 1 . 2]" 2
66 1 34 HIS H 1 35 THR HA . . 5.500 5.132 5.010 5.286 . 0 0 "[ . 1 . 2]" 2
67 1 34 HIS H 1 35 THR HB . . 5.500 5.361 5.226 5.503 0.003 9 0 "[ . 1 . 2]" 2
68 1 32 ARG HA 1 34 HIS H . . 4.450 3.915 3.714 4.212 . 0 0 "[ . 1 . 2]" 2
69 1 31 LEU HA 1 34 HIS H . . 4.080 3.215 3.098 3.359 . 0 0 "[ . 1 . 2]" 2
70 1 34 HIS H 1 34 HIS HB2 . . 3.490 2.297 2.274 2.320 . 0 0 "[ . 1 . 2]" 2
71 1 34 HIS H 1 34 HIS HB3 . . 3.750 3.564 3.551 3.576 . 0 0 "[ . 1 . 2]" 2
72 1 34 HIS H 1 35 THR MG . . 4.230 3.805 3.538 4.181 . 0 0 "[ . 1 . 2]" 2
73 1 33 ILE HG12 1 34 HIS H . . 4.160 2.998 2.495 3.501 . 0 0 "[ . 1 . 2]" 2
74 1 24 LEU HA 1 28 LYS H . . 4.560 4.072 3.826 4.277 . 0 0 "[ . 1 . 2]" 2
75 1 27 LEU HB3 1 28 LYS H . . 3.700 2.538 2.407 2.704 . 0 0 "[ . 1 . 2]" 2
76 1 28 LYS H 1 28 LYS HB2 . . 3.250 2.370 2.222 2.507 . 0 0 "[ . 1 . 2]" 2
77 1 28 LYS H 1 28 LYS HG3 . . 3.590 2.462 2.219 2.780 . 0 0 "[ . 1 . 2]" 2
78 1 27 LEU HB2 1 28 LYS H . . 4.190 3.913 3.833 4.021 . 0 0 "[ . 1 . 2]" 2
79 1 14 CYS H 1 21 PHE H . . 5.450 4.857 4.486 5.207 . 0 0 "[ . 1 . 2]" 2
80 1 20 ARG H 1 21 PHE H . . 4.710 4.571 4.530 4.611 . 0 0 "[ . 1 . 2]" 2
81 1 21 PHE H 1 23 HIS H . . 5.500 5.309 4.902 5.500 . 0 0 "[ . 1 . 2]" 2
82 1 21 PHE H 1 21 PHE QD . . 3.600 2.838 2.633 3.049 . 0 0 "[ . 1 . 2]" 2
83 1 13 PRO HA 1 21 PHE H . . 3.940 3.774 3.633 3.907 . 0 0 "[ . 1 . 2]" 2
84 1 12 TYR HB3 1 21 PHE H . . 4.890 4.239 3.960 4.584 . 0 0 "[ . 1 . 2]" 2
85 1 12 TYR HB2 1 21 PHE H . . 3.560 3.148 2.850 3.356 . 0 0 "[ . 1 . 2]" 2
86 1 20 ARG HB3 1 21 PHE H . . 3.850 2.638 2.301 2.959 . 0 0 "[ . 1 . 2]" 2
87 1 20 ARG HG2 1 21 PHE H . . 4.700 4.438 4.117 4.606 . 0 0 "[ . 1 . 2]" 2
88 1 21 PHE H 1 27 LEU MD1 . . 4.940 4.077 3.802 4.387 . 0 0 "[ . 1 . 2]" 2
89 1 16 ILE H 1 17 CYS H . . 3.400 3.011 2.981 3.059 . 0 0 "[ . 1 . 2]" 2
90 1 17 CYS H 1 18 GLY H . . 3.230 2.369 2.333 2.411 . 0 0 "[ . 1 . 2]" 2
91 1 17 CYS H 1 19 THR H . . 4.480 4.200 4.084 4.296 . 0 0 "[ . 1 . 2]" 2
92 1 17 CYS H 1 34 HIS HD2 . . 4.650 4.131 4.066 4.175 . 0 0 "[ . 1 . 2]" 2
93 1 17 CYS H 1 17 CYS HB2 . . 3.900 3.641 3.629 3.655 . 0 0 "[ . 1 . 2]" 2
94 1 14 CYS HB3 1 17 CYS H . . 4.040 3.762 3.660 3.833 . 0 0 "[ . 1 . 2]" 2
95 1 17 CYS H 1 17 CYS HB3 . . 3.670 2.824 2.776 2.871 . 0 0 "[ . 1 . 2]" 2
96 1 16 ILE HG12 1 17 CYS H . . 4.720 4.569 4.536 4.599 . 0 0 "[ . 1 . 2]" 2
97 1 16 ILE HB 1 17 CYS H . . 3.400 1.937 1.886 1.969 . 0 0 "[ . 1 . 2]" 2
98 1 16 ILE MD 1 17 CYS H . . 4.030 3.346 3.190 3.420 . 0 0 "[ . 1 . 2]" 2
99 1 16 ILE MG 1 17 CYS H . . 3.630 2.773 2.686 2.923 . 0 0 "[ . 1 . 2]" 2
100 1 30 HIS HD2 1 31 LEU H . . 4.440 4.155 3.803 4.398 . 0 0 "[ . 1 . 2]" 2
101 1 31 LEU H 1 34 HIS HD2 . . 4.500 4.498 4.401 4.549 0.049 12 0 "[ . 1 . 2]" 2
102 1 29 SER HA 1 31 LEU H . . 4.450 3.837 3.637 4.151 . 0 0 "[ . 1 . 2]" 2
103 1 30 HIS HB3 1 31 LEU H . . 3.890 3.183 2.983 3.327 . 0 0 "[ . 1 . 2]" 2
104 1 31 LEU H 1 31 LEU HG . . 3.480 2.062 2.008 2.111 . 0 0 "[ . 1 . 2]" 2
105 1 31 LEU H 1 31 LEU HB2 . . 3.360 2.811 2.783 2.841 . 0 0 "[ . 1 . 2]" 2
106 1 31 LEU H 1 31 LEU HB3 . . 3.570 3.566 3.546 3.588 0.018 1 0 "[ . 1 . 2]" 2
107 1 31 LEU H 1 31 LEU MD2 . . 3.670 2.182 2.091 2.360 . 0 0 "[ . 1 . 2]" 2
108 1 31 LEU H 1 31 LEU MD1 . . 3.690 3.686 3.654 3.712 0.022 17 0 "[ . 1 . 2]" 2
109 1 25 GLN H 1 25 GLN QG . . 4.470 2.300 1.887 2.392 . 0 0 "[ . 1 . 2]" 2
110 1 24 LEU HB3 1 25 GLN H . . 4.470 2.157 2.056 2.286 . 0 0 "[ . 1 . 2]" 2
111 1 12 TYR H 1 21 PHE H . . 4.070 3.278 2.999 3.506 . 0 0 "[ . 1 . 2]" 2
112 1 12 TYR H 1 12 TYR QD . . 3.590 2.626 2.573 2.664 . 0 0 "[ . 1 . 2]" 2
113 1 12 TYR H 1 13 PRO HD2 . . 4.750 4.298 4.249 4.334 . 0 0 "[ . 1 . 2]" 2
114 1 12 TYR H 1 13 PRO HD3 . . 4.390 3.675 3.600 3.732 . 0 0 "[ . 1 . 2]" 2
115 1 11 PRO HD3 1 12 TYR H . . 4.410 4.059 4.052 4.068 . 0 0 "[ . 1 . 2]" 2
116 1 12 TYR H 1 12 TYR HB3 . . 3.820 3.740 3.734 3.753 . 0 0 "[ . 1 . 2]" 2
117 1 12 TYR H 1 12 TYR HB2 . . 3.480 2.576 2.564 2.599 . 0 0 "[ . 1 . 2]" 2
118 1 11 PRO HB2 1 12 TYR H . . 4.200 3.985 3.977 3.998 . 0 0 "[ . 1 . 2]" 2
119 1 11 PRO HG3 1 12 TYR H . . 5.000 4.649 4.637 4.668 . 0 0 "[ . 1 . 2]" 2
120 1 12 TYR H 1 20 ARG HB2 . . 5.450 4.825 4.687 5.046 . 0 0 "[ . 1 . 2]" 2
121 1 11 PRO HG2 1 12 TYR H . . 4.050 3.388 3.373 3.413 . 0 0 "[ . 1 . 2]" 2
122 1 12 TYR H 1 20 ARG HB3 . . 4.470 3.277 3.111 3.478 . 0 0 "[ . 1 . 2]" 2
123 1 12 TYR H 1 27 LEU MD2 . . 5.330 4.787 4.616 4.970 . 0 0 "[ . 1 . 2]" 2
124 1 31 LEU H 1 33 ILE H . . 4.950 4.643 4.521 4.825 . 0 0 "[ . 1 . 2]" 2
125 1 33 ILE H 1 34 HIS HD2 . . 5.370 5.120 4.852 5.375 0.005 18 0 "[ . 1 . 2]" 2
126 1 31 LEU HA 1 33 ILE H . . 4.280 3.955 3.656 4.257 . 0 0 "[ . 1 . 2]" 2
127 1 33 ILE H 1 34 HIS HB2 . . 4.680 4.508 4.349 4.680 . 20 0 "[ . 1 . 2]" 2
128 1 32 ARG QD 1 33 ILE H . . 4.440 4.231 4.147 4.304 . 0 0 "[ . 1 . 2]" 2
129 1 32 ARG HB2 1 33 ILE H . . 3.680 2.881 2.706 3.075 . 0 0 "[ . 1 . 2]" 2
130 1 33 ILE H 1 33 ILE HB . . 3.750 3.629 3.603 3.664 . 0 0 "[ . 1 . 2]" 2
131 1 31 LEU MD2 1 33 ILE H . . 5.500 5.276 5.120 5.465 . 0 0 "[ . 1 . 2]" 2
132 1 33 ILE H 1 35 THR MG . . 5.500 4.940 4.646 5.228 . 0 0 "[ . 1 . 2]" 2
133 1 33 ILE H 1 33 ILE HG12 . . 3.690 2.360 2.281 2.432 . 0 0 "[ . 1 . 2]" 2
134 1 33 ILE H 1 33 ILE MG . . 3.300 2.031 1.871 2.213 . 0 0 "[ . 1 . 2]" 2
135 1 31 LEU H 1 32 ARG H . . 3.620 2.588 2.459 2.675 . 0 0 "[ . 1 . 2]" 2
136 1 32 ARG H 1 33 ILE H . . 3.430 2.592 2.486 2.752 . 0 0 "[ . 1 . 2]" 2
137 1 32 ARG H 1 34 HIS H . . 4.430 3.867 3.793 3.967 . 0 0 "[ . 1 . 2]" 2
138 1 32 ARG H 1 32 ARG QD . . 3.730 2.155 1.893 2.334 . 0 0 "[ . 1 . 2]" 2
139 1 31 LEU HG 1 32 ARG H . . 4.400 4.274 4.153 4.326 . 0 0 "[ . 1 . 2]" 2
140 1 32 ARG H 1 32 ARG HB2 . . 2.940 2.196 2.172 2.256 . 0 0 "[ . 1 . 2]" 2
141 1 32 ARG H 1 32 ARG HG3 . . 4.190 3.941 3.622 4.060 . 0 0 "[ . 1 . 2]" 2
142 1 31 LEU MD2 1 32 ARG H . . 4.470 4.146 4.107 4.200 . 0 0 "[ . 1 . 2]" 2
143 1 31 LEU MD1 1 32 ARG H . . 5.190 5.171 5.060 5.210 0.020 9 0 "[ . 1 . 2]" 2
144 1 16 ILE MD 1 32 ARG H . . 5.210 5.214 5.189 5.229 0.019 4 0 "[ . 1 . 2]" 2
145 1 32 ARG H 1 33 ILE MG . . 4.300 3.870 3.757 4.014 . 0 0 "[ . 1 . 2]" 2
146 1 25 GLN H 1 26 THR H . . 4.330 2.952 2.870 3.056 . 0 0 "[ . 1 . 2]" 2
147 1 26 THR H 1 28 LYS H . . 4.680 4.146 3.972 4.355 . 0 0 "[ . 1 . 2]" 2
148 1 23 HIS H 1 26 THR H . . 5.090 4.573 4.402 4.772 . 0 0 "[ . 1 . 2]" 2
149 1 23 HIS HA 1 26 THR H . . 5.130 4.950 4.810 5.104 . 0 0 "[ . 1 . 2]" 2
150 1 26 THR H 1 26 THR HB . . 3.580 2.523 2.420 2.586 . 0 0 "[ . 1 . 2]" 2
151 1 23 HIS HB2 1 26 THR H . . 3.660 3.598 3.396 3.659 . 0 0 "[ . 1 . 2]" 2
152 1 23 HIS HB3 1 26 THR H . . 3.730 3.171 3.003 3.386 . 0 0 "[ . 1 . 2]" 2
153 1 25 GLN QG 1 26 THR H . . 4.070 2.107 1.923 2.761 . 0 0 "[ . 1 . 2]" 2
154 1 25 GLN HB3 1 26 THR H . . 4.570 4.038 3.848 4.130 . 0 0 "[ . 1 . 2]" 2
155 1 26 THR H 1 26 THR MG . . 3.880 3.775 3.750 3.793 . 0 0 "[ . 1 . 2]" 2
156 1 12 TYR QE 1 24 LEU H . . 4.210 3.879 3.585 4.194 . 0 0 "[ . 1 . 2]" 2
157 1 12 TYR QD 1 24 LEU H . . 4.640 3.960 3.753 4.166 . 0 0 "[ . 1 . 2]" 2
158 1 23 HIS HA 1 24 LEU H . . 3.500 2.404 2.329 2.507 . 0 0 "[ . 1 . 2]" 2
159 1 23 HIS HB3 1 24 LEU H . . 4.410 2.493 2.258 2.686 . 0 0 "[ . 1 . 2]" 2
160 1 24 LEU H 1 24 LEU HB3 . . 3.790 2.555 2.482 2.657 . 0 0 "[ . 1 . 2]" 2
161 1 24 LEU H 1 24 LEU HG . . 4.820 4.596 4.505 4.662 . 0 0 "[ . 1 . 2]" 2
162 1 24 LEU H 1 24 LEU HB2 . . 3.810 2.522 2.380 2.649 . 0 0 "[ . 1 . 2]" 2
163 1 24 LEU H 1 24 LEU MD1 . . 4.450 4.007 3.847 4.095 . 0 0 "[ . 1 . 2]" 2
164 1 18 GLY H 1 19 THR H . . 3.890 2.245 2.122 2.341 . 0 0 "[ . 1 . 2]" 2
165 1 18 GLY H 1 19 THR HB . . 4.890 3.925 3.861 3.995 . 0 0 "[ . 1 . 2]" 2
166 1 14 CYS HB3 1 18 GLY H . . 3.920 1.960 1.878 2.067 . 0 0 "[ . 1 . 2]" 2
167 1 14 CYS HB2 1 18 GLY H . . 4.060 3.460 3.381 3.535 . 0 0 "[ . 1 . 2]" 2
168 1 17 CYS HB3 1 18 GLY H . . 4.610 3.843 3.827 3.870 . 0 0 "[ . 1 . 2]" 2
169 1 16 ILE HB 1 18 GLY H . . 4.440 4.121 4.081 4.152 . 0 0 "[ . 1 . 2]" 2
170 1 16 ILE MD 1 18 GLY H . . 4.940 4.644 4.460 4.705 . 0 0 "[ . 1 . 2]" 2
171 1 16 ILE MG 1 18 GLY H . . 4.890 4.772 4.696 4.912 0.022 19 0 "[ . 1 . 2]" 2
172 1 28 LYS H 1 29 SER H . . 3.500 2.767 2.681 2.887 . 0 0 "[ . 1 . 2]" 2
173 1 29 SER H 1 30 HIS H . . 3.460 2.370 2.298 2.448 . 0 0 "[ . 1 . 2]" 2
174 1 27 LEU H 1 29 SER H . . 4.520 4.133 4.023 4.259 . 0 0 "[ . 1 . 2]" 2
175 1 29 SER H 1 29 SER QB . . 2.940 2.318 2.203 2.509 . 0 0 "[ . 1 . 2]" 2
176 1 27 LEU HA 1 29 SER H . . 4.130 3.973 3.834 4.105 . 0 0 "[ . 1 . 2]" 2
177 1 29 SER H 1 30 HIS HB3 . . 4.390 4.271 4.200 4.349 . 0 0 "[ . 1 . 2]" 2
178 1 27 LEU HB3 1 29 SER H . . 4.980 4.860 4.751 4.960 . 0 0 "[ . 1 . 2]" 2
179 1 28 LYS HB2 1 29 SER H . . 3.400 2.910 2.800 2.993 . 0 0 "[ . 1 . 2]" 2
180 1 27 LEU HG 1 29 SER H . . 5.500 5.138 4.972 5.247 . 0 0 "[ . 1 . 2]" 2
181 1 28 LYS HG3 1 29 SER H . . 5.500 4.630 4.485 4.822 . 0 0 "[ . 1 . 2]" 2
182 1 26 THR MG 1 29 SER H . . 4.370 4.196 4.014 4.368 . 0 0 "[ . 1 . 2]" 2
183 1 27 LEU MD1 1 29 SER H . . 5.280 4.837 4.583 5.067 . 0 0 "[ . 1 . 2]" 2
184 1 29 SER H 1 31 LEU MD1 . . 5.500 5.350 5.176 5.503 0.003 19 0 "[ . 1 . 2]" 2
185 1 22 ARG H 1 23 HIS H . . 4.570 3.000 2.495 3.153 . 0 0 "[ . 1 . 2]" 2
186 1 23 HIS H 1 26 THR HB . . 4.000 3.329 3.141 3.547 . 0 0 "[ . 1 . 2]" 2
187 1 23 HIS H 1 23 HIS HB3 . . 3.830 3.612 3.560 3.735 . 0 0 "[ . 1 . 2]" 2
188 1 23 HIS H 1 26 THR MG . . 4.310 4.195 3.894 4.317 0.007 20 0 "[ . 1 . 2]" 2
189 1 23 HIS H 1 23 HIS HB2 . . 3.810 2.450 2.349 2.591 . 0 0 "[ . 1 . 2]" 2
190 1 21 PHE HB3 1 23 HIS H . . 4.350 2.992 2.765 3.186 . 0 0 "[ . 1 . 2]" 2
191 1 34 HIS HB3 1 35 THR H . . 4.650 3.267 2.650 3.616 . 0 0 "[ . 1 . 2]" 2
192 1 35 THR H 1 35 THR MG . . 4.170 1.978 1.878 2.127 . 0 0 "[ . 1 . 2]" 2
193 1 30 HIS H 1 31 LEU H . . 3.530 2.475 2.403 2.680 . 0 0 "[ . 1 . 2]" 2
194 1 20 ARG HB2 1 21 PHE H . . 3.860 3.562 3.271 3.863 0.003 10 0 "[ . 1 . 2]" 2
195 1 26 THR H 1 27 LEU H . . 3.510 2.548 2.369 2.814 . 0 0 "[ . 1 . 2]" 2
196 1 24 LEU H 1 24 LEU MD2 . . 4.450 4.127 3.975 4.315 . 0 0 "[ . 1 . 2]" 2
197 1 12 TYR QD 1 24 LEU MD2 . . 4.590 2.038 1.784 2.614 . 0 0 "[ . 1 . 2]" 2
198 1 24 LEU HA 1 24 LEU MD2 . . 3.690 2.827 1.924 3.787 0.097 13 0 "[ . 1 . 2]" 2
199 1 24 LEU MD2 1 28 LYS QE . . 3.590 3.231 2.552 3.592 0.002 7 0 "[ . 1 . 2]" 2
200 1 24 LEU MD2 1 27 LEU HB3 . . 4.820 3.727 2.324 4.822 0.002 10 0 "[ . 1 . 2]" 2
201 1 24 LEU MD2 1 28 LYS QD . . 4.060 3.838 3.504 4.027 . 0 0 "[ . 1 . 2]" 2
202 1 24 LEU MD2 1 28 LYS HG3 . . 4.210 3.566 2.723 4.219 0.009 15 0 "[ . 1 . 2]" 2
203 1 24 LEU HB3 1 24 LEU MD2 . . 3.270 2.864 2.467 3.181 . 0 0 "[ . 1 . 2]" 2
204 1 24 LEU HB2 1 24 LEU MD2 . . 3.370 2.269 2.046 2.457 . 0 0 "[ . 1 . 2]" 2
205 1 14 CYS H 1 27 LEU MD1 . . 4.150 3.630 3.411 3.863 . 0 0 "[ . 1 . 2]" 2
206 1 27 LEU MD1 1 31 LEU H . . 3.940 3.901 3.669 3.944 0.004 12 0 "[ . 1 . 2]" 2
207 1 21 PHE QD 1 27 LEU MD1 . . 3.440 1.998 1.968 2.061 . 0 0 "[ . 1 . 2]" 2
208 1 27 LEU H 1 27 LEU MD1 . . 4.260 4.146 4.096 4.196 . 0 0 "[ . 1 . 2]" 2
209 1 27 LEU MD1 1 30 HIS HD2 . . 3.500 1.972 1.850 2.144 . 0 0 "[ . 1 . 2]" 2
210 1 21 PHE QE 1 27 LEU MD1 . . 3.600 2.532 2.237 2.762 . 0 0 "[ . 1 . 2]" 2
211 1 27 LEU MD1 1 30 HIS HA . . 4.980 4.864 4.738 4.974 . 0 0 "[ . 1 . 2]" 2
212 1 27 LEU MD1 1 28 LYS HA . . 4.410 4.219 4.097 4.336 . 0 0 "[ . 1 . 2]" 2
213 1 14 CYS HB3 1 27 LEU MD1 . . 3.830 3.609 3.451 3.742 . 0 0 "[ . 1 . 2]" 2
214 1 27 LEU HA 1 27 LEU MD1 . . 3.240 2.160 1.992 2.306 . 0 0 "[ . 1 . 2]" 2
215 1 14 CYS HB2 1 27 LEU MD1 . . 3.550 2.237 2.087 2.385 . 0 0 "[ . 1 . 2]" 2
216 1 27 LEU MD1 1 30 HIS HB3 . . 3.800 2.246 2.114 2.374 . 0 0 "[ . 1 . 2]" 2
217 1 27 LEU HB3 1 27 LEU MD1 . . 3.410 3.193 3.181 3.196 . 0 0 "[ . 1 . 2]" 2
218 1 27 LEU MD1 1 31 LEU MD2 . . 3.270 2.028 1.913 2.110 . 0 0 "[ . 1 . 2]" 2
219 1 19 THR MG 1 20 ARG H . . 3.280 2.548 2.185 2.964 . 0 0 "[ . 1 . 2]" 2
220 1 19 THR MG 1 21 PHE QD . . 4.230 3.121 2.970 3.301 . 0 0 "[ . 1 . 2]" 2
221 1 19 THR MG 1 21 PHE QE . . 3.580 2.236 2.102 2.548 . 0 0 "[ . 1 . 2]" 2
222 1 19 THR MG 1 21 PHE HZ . . 3.640 2.989 2.729 3.146 . 0 0 "[ . 1 . 2]" 2
223 1 19 THR HA 1 19 THR MG . . 3.240 2.469 2.389 2.530 . 0 0 "[ . 1 . 2]" 2
224 1 14 CYS HB3 1 19 THR MG . . 4.730 4.374 4.220 4.637 . 0 0 "[ . 1 . 2]" 2
225 1 14 CYS HB2 1 19 THR MG . . 4.050 3.893 3.681 4.048 . 0 0 "[ . 1 . 2]" 2
226 1 19 THR MG 1 20 ARG HG3 . . 5.040 4.428 4.157 4.647 . 0 0 "[ . 1 . 2]" 2
227 1 19 THR MG 1 20 ARG HB3 . . 5.240 5.089 4.964 5.251 0.011 18 0 "[ . 1 . 2]" 2
228 1 19 THR MG 1 27 LEU MD1 . . 3.950 3.941 3.837 3.975 0.025 15 0 "[ . 1 . 2]" 2
229 1 32 ARG HA 1 35 THR MG . . 3.960 2.891 2.562 3.197 . 0 0 "[ . 1 . 2]" 2
230 1 34 HIS HB2 1 35 THR MG . . 4.540 3.463 3.113 3.654 . 0 0 "[ . 1 . 2]" 2
231 1 34 HIS HB3 1 35 THR MG . . 4.480 4.227 3.926 4.414 . 0 0 "[ . 1 . 2]" 2
232 1 16 ILE MD 1 35 THR MG . . 4.570 4.390 4.079 4.578 0.008 12 0 "[ . 1 . 2]" 2
233 1 17 CYS H 1 18 GLY HA3 . . 5.000 4.998 4.969 5.032 0.032 12 0 "[ . 1 . 2]" 2
234 1 17 CYS H 1 18 GLY HA2 . . 4.630 4.566 4.532 4.605 . 0 0 "[ . 1 . 2]" 2
235 1 38 GLY HA3 1 39 PRO QD . . 3.360 2.298 1.917 2.796 . 0 0 "[ . 1 . 2]" 2
236 1 23 HIS HA 1 23 HIS HD2 . . 4.870 2.878 2.349 3.579 . 0 0 "[ . 1 . 2]" 2
237 1 19 THR H 1 19 THR HB . . 3.480 2.523 2.433 2.624 . 0 0 "[ . 1 . 2]" 2
238 1 19 THR HB 1 21 PHE QE . . 4.000 2.790 2.434 3.033 . 0 0 "[ . 1 . 2]" 2
239 1 19 THR HB 1 21 PHE HZ . . 4.310 4.078 3.773 4.296 . 0 0 "[ . 1 . 2]" 2
240 1 32 ARG HA 1 32 ARG QD . . 3.700 2.653 2.206 3.108 . 0 0 "[ . 1 . 2]" 2
241 1 29 SER QB 1 32 ARG QD . . 4.140 3.578 2.762 4.072 . 0 0 "[ . 1 . 2]" 2
242 1 14 CYS HB2 1 19 THR HB . . 4.340 3.317 3.033 3.537 . 0 0 "[ . 1 . 2]" 2
243 1 32 ARG HB2 1 32 ARG QD . . 3.160 2.349 2.246 2.499 . 0 0 "[ . 1 . 2]" 2
244 1 19 THR HB 1 27 LEU MD1 . . 4.790 4.404 4.046 4.677 . 0 0 "[ . 1 . 2]" 2
245 1 10 LYS HB2 1 20 ARG HD2 . . 4.520 3.736 2.582 4.529 0.009 10 0 "[ . 1 . 2]" 2
246 1 20 ARG HB3 1 20 ARG HD2 . . 3.940 3.479 2.723 3.812 . 0 0 "[ . 1 . 2]" 2
247 1 20 ARG HB3 1 20 ARG HD3 . . 3.940 2.934 2.593 3.802 . 0 0 "[ . 1 . 2]" 2
248 1 21 PHE HB2 1 27 LEU MD1 . . 4.600 3.372 3.201 3.529 . 0 0 "[ . 1 . 2]" 2
249 1 21 PHE HB2 1 23 HIS H . . 4.350 4.000 3.659 4.287 . 0 0 "[ . 1 . 2]" 2
250 1 11 PRO HG2 1 12 TYR QE . . 3.950 2.256 2.207 2.295 . 0 0 "[ . 1 . 2]" 2
251 1 21 PHE HB3 1 27 LEU MD1 . . 4.600 4.526 4.361 4.608 0.008 12 0 "[ . 1 . 2]" 2
252 1 12 TYR H 1 12 TYR QE . . 5.010 4.762 4.719 4.797 . 0 0 "[ . 1 . 2]" 2
253 1 12 TYR QE 1 23 HIS HA . . 3.840 3.481 3.232 3.842 0.002 3 0 "[ . 1 . 2]" 2
254 1 21 PHE HB2 1 26 THR HB . . 4.260 3.886 3.648 4.184 . 0 0 "[ . 1 . 2]" 2
255 1 12 TYR QE 1 24 LEU HA . . 4.810 4.600 4.302 4.812 0.002 6 0 "[ . 1 . 2]" 2
256 1 21 PHE HB3 1 26 THR HB . . 4.260 2.880 2.653 3.201 . 0 0 "[ . 1 . 2]" 2
257 1 11 PRO HB2 1 12 TYR QE . . 4.460 3.897 3.863 3.954 . 0 0 "[ . 1 . 2]" 2
258 1 11 PRO HG3 1 12 TYR QE . . 4.220 3.385 3.330 3.428 . 0 0 "[ . 1 . 2]" 2
259 1 12 TYR QE 1 24 LEU HB3 . . 4.220 3.878 3.739 4.145 . 0 0 "[ . 1 . 2]" 2
260 1 12 TYR QE 1 24 LEU HG . . 4.630 3.951 2.959 4.673 0.043 16 0 "[ . 1 . 2]" 2
261 1 12 TYR QE 1 24 LEU HB2 . . 3.740 2.650 2.372 2.999 . 0 0 "[ . 1 . 2]" 2
262 1 31 LEU HB2 1 32 ARG H . . 4.420 3.466 3.345 3.577 . 0 0 "[ . 1 . 2]" 2
263 1 31 LEU HB3 1 32 ARG H . . 4.520 4.400 4.347 4.456 . 0 0 "[ . 1 . 2]" 2
264 1 10 LYS HA 1 10 LYS QE . . 4.740 4.565 4.179 4.767 0.027 18 0 "[ . 1 . 2]" 2
265 1 31 LEU HB3 1 31 LEU MD2 . . 3.560 2.482 2.442 2.523 . 0 0 "[ . 1 . 2]" 2
266 1 10 LYS QE 1 10 LYS HG2 . . 3.520 2.512 2.074 3.276 . 0 0 "[ . 1 . 2]" 2
267 1 28 LYS H 1 28 LYS QE . . 4.920 4.567 3.253 4.921 0.001 11 0 "[ . 1 . 2]" 2
268 1 25 GLN HA 1 28 LYS QE . . 4.730 4.087 1.897 4.727 . 0 0 "[ . 1 . 2]" 2
269 1 28 LYS HB2 1 28 LYS QE . . 4.460 3.842 1.976 4.060 . 0 0 "[ . 1 . 2]" 2
270 1 24 LEU MD1 1 28 LYS QE . . 3.590 2.576 1.820 3.596 0.006 11 0 "[ . 1 . 2]" 2
271 1 16 ILE H 1 16 ILE MG . . 3.790 3.765 3.762 3.768 . 0 0 "[ . 1 . 2]" 2
272 1 30 HIS HE1 1 33 ILE MG . . 4.740 4.684 4.535 4.747 0.007 16 0 "[ . 1 . 2]" 2
273 1 33 ILE MG 1 34 HIS H . . 3.910 3.881 3.754 3.985 0.075 11 0 "[ . 1 . 2]" 2
274 1 16 ILE MG 1 34 HIS HD2 . . 4.200 3.499 3.402 3.660 . 0 0 "[ . 1 . 2]" 2
275 1 16 ILE MG 1 17 CYS HA . . 4.140 3.463 3.358 3.585 . 0 0 "[ . 1 . 2]" 2
276 1 30 HIS HA 1 33 ILE MG . . 4.030 3.587 3.340 3.731 . 0 0 "[ . 1 . 2]" 2
277 1 33 ILE HA 1 33 ILE MG . . 3.190 2.501 2.466 2.531 . 0 0 "[ . 1 . 2]" 2
278 1 16 ILE HA 1 16 ILE MG . . 3.140 2.315 2.226 2.435 . 0 0 "[ . 1 . 2]" 2
279 1 16 ILE MG 1 17 CYS HB2 . . 4.710 4.539 4.437 4.730 0.020 19 0 "[ . 1 . 2]" 2
280 1 16 ILE MG 1 34 HIS HB2 . . 3.940 3.368 3.254 3.617 . 0 0 "[ . 1 . 2]" 2
281 1 32 ARG QD 1 33 ILE MG . . 4.870 4.846 4.770 4.884 0.014 6 0 "[ . 1 . 2]" 2
282 1 16 ILE MG 1 34 HIS HB3 . . 4.150 2.125 1.993 2.503 . 0 0 "[ . 1 . 2]" 2
283 1 16 ILE MG 1 17 CYS HB3 . . 3.900 3.112 2.977 3.370 . 0 0 "[ . 1 . 2]" 2
284 1 32 ARG HB3 1 33 ILE MG . . 4.600 3.496 3.426 3.618 . 0 0 "[ . 1 . 2]" 2
285 1 32 ARG HB2 1 33 ILE MG . . 4.800 3.237 3.110 3.322 . 0 0 "[ . 1 . 2]" 2
286 1 16 ILE HG12 1 16 ILE MG . . 3.530 2.050 1.985 2.186 . 0 0 "[ . 1 . 2]" 2
287 1 33 ILE HG12 1 33 ILE MG . . 3.230 2.317 2.165 2.409 . 0 0 "[ . 1 . 2]" 2
288 1 23 HIS HA 1 24 LEU HB3 . . 5.030 4.929 4.828 5.021 . 0 0 "[ . 1 . 2]" 2
289 1 21 PHE QD 1 27 LEU HB2 . . 4.490 2.947 2.745 3.167 . 0 0 "[ . 1 . 2]" 2
290 1 12 TYR HB2 1 27 LEU HB3 . . 4.370 4.300 4.122 4.375 0.005 14 0 "[ . 1 . 2]" 2
291 1 26 THR HA 1 29 SER H . . 4.210 3.523 3.404 3.717 . 0 0 "[ . 1 . 2]" 2
292 1 17 CYS H 1 34 HIS HE1 . . 4.750 3.525 3.328 3.658 . 0 0 "[ . 1 . 2]" 2
293 1 33 ILE H 1 33 ILE MD . . 3.990 3.828 3.707 3.936 . 0 0 "[ . 1 . 2]" 2
294 1 17 CYS HA 1 34 HIS HE1 . . 4.560 4.396 4.081 4.566 0.006 4 0 "[ . 1 . 2]" 2
295 1 30 HIS HA 1 33 ILE MD . . 4.520 4.357 4.109 4.534 0.014 11 0 "[ . 1 . 2]" 2
296 1 33 ILE HA 1 33 ILE MD . . 4.170 4.136 4.074 4.164 . 0 0 "[ . 1 . 2]" 2
297 1 17 CYS HB2 1 34 HIS HE1 . . 4.210 3.773 3.636 3.848 . 0 0 "[ . 1 . 2]" 2
298 1 17 CYS HB3 1 34 HIS HE1 . . 3.540 2.206 1.998 2.335 . 0 0 "[ . 1 . 2]" 2
299 1 33 ILE HB 1 33 ILE MD . . 3.270 2.310 2.134 2.428 . 0 0 "[ . 1 . 2]" 2
300 1 19 THR HA 1 20 ARG HG3 . . 4.400 3.517 3.356 3.764 . 0 0 "[ . 1 . 2]" 2
301 1 16 ILE HB 1 34 HIS HE1 . . 4.800 3.601 3.317 3.786 . 0 0 "[ . 1 . 2]" 2
302 1 19 THR HA 1 20 ARG HG2 . . 5.500 5.113 4.580 5.447 . 0 0 "[ . 1 . 2]" 2
303 1 16 ILE MG 1 34 HIS HE1 . . 3.900 2.802 2.593 3.218 . 0 0 "[ . 1 . 2]" 2
304 1 12 TYR HB3 1 27 LEU HB3 . . 4.750 3.761 3.639 3.966 . 0 0 "[ . 1 . 2]" 2
305 1 12 TYR HB2 1 27 LEU HB2 . . 4.570 3.765 3.549 3.967 . 0 0 "[ . 1 . 2]" 2
306 1 12 TYR HB3 1 27 LEU HB2 . . 4.420 3.769 3.557 4.143 . 0 0 "[ . 1 . 2]" 2
307 1 21 PHE HZ 1 30 HIS HE1 . . 4.720 3.688 3.557 3.962 . 0 0 "[ . 1 . 2]" 2
308 1 19 THR HB 1 30 HIS HE1 . . 4.790 3.887 3.654 4.078 . 0 0 "[ . 1 . 2]" 2
309 1 14 CYS HB2 1 30 HIS HE1 . . 5.500 5.498 5.440 5.509 0.009 12 0 "[ . 1 . 2]" 2
310 1 30 HIS HE1 1 33 ILE HG12 . . 4.780 3.663 3.496 3.878 . 0 0 "[ . 1 . 2]" 2
311 1 30 HIS HE1 1 33 ILE MD . . 3.410 2.278 2.051 2.537 . 0 0 "[ . 1 . 2]" 2
312 1 11 PRO HA 1 20 ARG HB3 . . 4.750 4.772 4.749 4.798 0.048 10 0 "[ . 1 . 2]" 2
313 1 11 PRO HA 1 12 TYR QD . . 5.050 4.728 4.706 4.743 . 0 0 "[ . 1 . 2]" 2
314 1 16 ILE HA 1 16 ILE HG12 . . 3.720 3.510 3.491 3.541 . 0 0 "[ . 1 . 2]" 2
315 1 16 ILE HA 1 16 ILE HG13 . . 3.720 2.355 2.319 2.444 . 0 0 "[ . 1 . 2]" 2
316 1 16 ILE HA 1 16 ILE MD . . 3.490 3.416 3.386 3.499 0.009 19 0 "[ . 1 . 2]" 2
317 1 16 ILE HB 1 16 ILE MD . . 3.690 2.103 2.072 2.119 . 0 0 "[ . 1 . 2]" 2
318 1 33 ILE HA 1 33 ILE HG12 . . 3.960 3.829 3.756 3.927 . 0 0 "[ . 1 . 2]" 2
319 1 16 ILE H 1 16 ILE MD . . 3.750 1.878 1.842 1.961 . 0 0 "[ . 1 . 2]" 2
320 1 28 LYS H 1 29 SER QB . . 5.430 4.676 4.484 4.926 . 0 0 "[ . 1 . 2]" 2
321 1 29 SER QB 1 31 LEU H . . 5.500 4.702 4.448 4.925 . 0 0 "[ . 1 . 2]" 2
322 1 33 ILE HB 1 34 HIS H . . 4.300 4.192 4.024 4.299 . 0 0 "[ . 1 . 2]" 2
323 1 16 ILE MD 1 34 HIS H . . 4.650 4.460 4.332 4.628 . 0 0 "[ . 1 . 2]" 2
324 1 16 ILE MD 1 34 HIS HD2 . . 3.560 1.960 1.854 2.095 . 0 0 "[ . 1 . 2]" 2
325 1 15 GLU HA 1 16 ILE MD . . 4.890 4.653 4.588 4.690 . 0 0 "[ . 1 . 2]" 2
326 1 16 ILE MD 1 34 HIS HB2 . . 3.610 2.761 2.644 2.932 . 0 0 "[ . 1 . 2]" 2
327 1 16 ILE MD 1 34 HIS HB3 . . 3.650 3.351 3.200 3.494 . 0 0 "[ . 1 . 2]" 2
328 1 14 CYS HB2 1 16 ILE MD . . 4.610 4.440 4.259 4.535 . 0 0 "[ . 1 . 2]" 2
329 1 29 SER QB 1 30 HIS HB3 . . 5.060 4.720 4.650 4.799 . 0 0 "[ . 1 . 2]" 2
330 1 15 GLU QG 1 16 ILE MD . . 3.970 3.039 1.832 3.647 . 0 0 "[ . 1 . 2]" 2
331 1 15 GLU HB2 1 16 ILE MD . . 4.420 4.212 2.914 4.409 . 0 0 "[ . 1 . 2]" 2
332 1 15 GLU HB3 1 16 ILE MD . . 4.420 3.238 2.698 4.424 0.004 19 0 "[ . 1 . 2]" 2
333 1 16 ILE MD 1 31 LEU HG . . 4.720 3.892 3.835 3.961 . 0 0 "[ . 1 . 2]" 2
334 1 28 LYS HB2 1 29 SER QB . . 5.500 4.430 4.029 4.914 . 0 0 "[ . 1 . 2]" 2
335 1 29 SER QB 1 32 ARG HB2 . . 5.500 4.678 4.200 5.130 . 0 0 "[ . 1 . 2]" 2
336 1 16 ILE MD 1 16 ILE MG . . 3.180 3.133 3.121 3.142 . 0 0 "[ . 1 . 2]" 2
337 1 35 THR HA 1 35 THR MG . . 3.310 3.201 3.172 3.207 . 0 0 "[ . 1 . 2]" 2
338 1 15 GLU QG 1 31 LEU MD1 . . 4.550 3.943 2.460 4.563 0.013 17 0 "[ . 1 . 2]" 2
339 1 29 SER HA 1 32 ARG H . . 4.560 3.868 3.723 3.951 . 0 0 "[ . 1 . 2]" 2
340 1 29 SER HA 1 32 ARG QD . . 4.040 2.005 1.896 2.215 . 0 0 "[ . 1 . 2]" 2
341 1 28 LYS HB3 1 29 SER HA . . 4.750 4.299 4.127 4.446 . 0 0 "[ . 1 . 2]" 2
342 1 29 SER HA 1 32 ARG HB2 . . 5.250 4.050 3.930 4.191 . 0 0 "[ . 1 . 2]" 2
343 1 29 SER HA 1 32 ARG HG2 . . 5.290 3.918 3.264 4.437 . 0 0 "[ . 1 . 2]" 2
344 1 29 SER HA 1 32 ARG HG3 . . 5.290 4.670 4.336 4.884 . 0 0 "[ . 1 . 2]" 2
345 1 28 LYS HA 1 28 LYS QD . . 4.130 4.032 3.970 4.069 . 0 0 "[ . 1 . 2]" 2
346 1 28 LYS HA 1 28 LYS HG3 . . 3.800 2.694 2.499 2.987 . 0 0 "[ . 1 . 2]" 2
347 1 28 LYS HA 1 28 LYS HG2 . . 3.640 2.653 2.424 2.821 . 0 0 "[ . 1 . 2]" 2
348 1 30 HIS HA 1 33 ILE HG12 . . 4.600 3.975 3.608 4.305 . 0 0 "[ . 1 . 2]" 2
349 1 29 SER QB 1 30 HIS HA . . 4.190 4.057 3.895 4.192 0.002 14 0 "[ . 1 . 2]" 2
350 1 25 GLN HA 1 28 LYS H . . 4.070 3.928 3.780 4.035 . 0 0 "[ . 1 . 2]" 2
351 1 10 LYS HB3 1 10 LYS QE . . 4.530 3.846 2.334 4.490 . 0 0 "[ . 1 . 2]" 2
352 1 10 LYS HB2 1 10 LYS QE . . 4.540 3.733 2.087 4.223 . 0 0 "[ . 1 . 2]" 2
353 1 25 GLN HA 1 28 LYS HB2 . . 3.520 3.201 2.880 3.430 . 0 0 "[ . 1 . 2]" 2
354 1 10 LYS HB2 1 20 ARG HB2 . . 4.150 2.125 1.987 2.660 . 0 0 "[ . 1 . 2]" 2
355 1 10 LYS HB3 1 20 ARG HB2 . . 4.320 2.234 1.993 2.638 . 0 0 "[ . 1 . 2]" 2
356 1 25 GLN HA 1 28 LYS QD . . 4.000 2.631 2.296 4.007 0.007 14 0 "[ . 1 . 2]" 2
357 1 25 GLN HA 1 28 LYS HG3 . . 4.290 4.162 3.821 4.291 0.001 4 0 "[ . 1 . 2]" 2
358 1 10 LYS HB3 1 10 LYS HD3 . . 4.140 3.145 2.375 3.728 . 0 0 "[ . 1 . 2]" 2
359 1 24 LEU HB3 1 25 GLN HA . . 4.370 4.021 3.950 4.105 . 0 0 "[ . 1 . 2]" 2
360 1 25 GLN HA 1 25 GLN QG . . 3.460 3.343 3.332 3.420 . 0 0 "[ . 1 . 2]" 2
361 1 23 HIS HB2 1 25 GLN QG . . 4.560 3.322 3.017 3.555 . 0 0 "[ . 1 . 2]" 2
362 1 23 HIS HB2 1 26 THR MG . . 4.650 4.503 4.232 4.655 0.005 16 0 "[ . 1 . 2]" 2
363 1 23 HIS HB3 1 24 LEU HB3 . . 4.710 4.490 4.393 4.619 . 0 0 "[ . 1 . 2]" 2
364 1 24 LEU HB3 1 25 GLN QG . . 4.990 4.139 3.803 4.282 . 0 0 "[ . 1 . 2]" 2
365 1 25 GLN QG 1 26 THR MG . . 5.470 4.490 4.318 5.409 . 0 0 "[ . 1 . 2]" 2
366 1 23 HIS HB2 1 24 LEU H . . 4.720 3.862 3.642 4.001 . 0 0 "[ . 1 . 2]" 2
367 1 13 PRO HD3 1 20 ARG HB3 . . 4.670 4.126 4.019 4.305 . 0 0 "[ . 1 . 2]" 2
368 1 10 LYS HB2 1 20 ARG HB3 . . 4.350 2.628 2.141 3.160 . 0 0 "[ . 1 . 2]" 2
369 1 15 GLU HA 1 18 GLY H . . 5.350 5.097 4.964 5.263 . 0 0 "[ . 1 . 2]" 2
370 1 15 GLU HA 1 15 GLU QG . . 3.410 2.976 2.587 3.424 0.014 11 0 "[ . 1 . 2]" 2
371 1 32 ARG HA 1 32 ARG HG3 . . 3.870 2.396 2.171 2.603 . 0 0 "[ . 1 . 2]" 2
372 1 27 LEU HA 1 30 HIS HD2 . . 4.480 3.992 3.884 4.119 . 0 0 "[ . 1 . 2]" 2
373 1 12 TYR QD 1 22 ARG HA . . 5.200 4.590 3.735 5.046 . 0 0 "[ . 1 . 2]" 2
374 1 31 LEU HA 1 34 HIS HD2 . . 3.450 1.994 1.978 2.001 . 0 0 "[ . 1 . 2]" 2
375 1 11 PRO HD3 1 22 ARG HA . . 3.950 3.916 3.573 3.967 0.017 12 0 "[ . 1 . 2]" 2
376 1 31 LEU HA 1 34 HIS HB2 . . 4.580 2.672 2.559 2.745 . 0 0 "[ . 1 . 2]" 2
377 1 31 LEU HA 1 34 HIS HB3 . . 4.540 4.253 4.141 4.342 . 0 0 "[ . 1 . 2]" 2
378 1 22 ARG HA 1 22 ARG QD . . 4.500 3.697 2.146 4.455 . 0 0 "[ . 1 . 2]" 2
379 1 31 LEU HA 1 31 LEU HG . . 3.850 3.607 3.574 3.630 . 0 0 "[ . 1 . 2]" 2
380 1 22 ARG HA 1 22 ARG HG2 . . 4.060 3.347 2.349 4.121 0.061 20 0 "[ . 1 . 2]" 2
381 1 22 ARG HA 1 22 ARG HG3 . . 4.060 3.184 2.336 3.927 . 0 0 "[ . 1 . 2]" 2
382 1 10 LYS HB3 1 22 ARG HA . . 4.740 4.050 3.793 4.367 . 0 0 "[ . 1 . 2]" 2
383 1 31 LEU HA 1 31 LEU MD1 . . 3.900 3.805 3.772 3.847 . 0 0 "[ . 1 . 2]" 2
384 1 16 ILE MD 1 31 LEU HA . . 4.210 2.438 2.394 2.518 . 0 0 "[ . 1 . 2]" 2
385 1 27 LEU HA 1 30 HIS H . . 4.210 3.119 3.004 3.222 . 0 0 "[ . 1 . 2]" 2
386 1 21 PHE QE 1 27 LEU HA . . 4.440 3.754 3.571 3.837 . 0 0 "[ . 1 . 2]" 2
387 1 12 TYR HA 1 12 TYR QD . . 3.620 3.065 3.055 3.081 . 0 0 "[ . 1 . 2]" 2
388 1 12 TYR QD 1 23 HIS HA . . 4.040 3.317 3.092 3.602 . 0 0 "[ . 1 . 2]" 2
389 1 12 TYR QD 1 13 PRO HD2 . . 4.420 4.452 4.424 4.499 0.079 15 0 "[ . 1 . 2]" 2
390 1 12 TYR QD 1 13 PRO HD3 . . 5.210 5.165 5.162 5.168 . 0 0 "[ . 1 . 2]" 2
391 1 11 PRO HD3 1 12 TYR QD . . 4.440 4.199 4.164 4.218 . 0 0 "[ . 1 . 2]" 2
392 1 12 TYR QD 1 24 LEU HA . . 4.190 3.472 3.197 3.698 . 0 0 "[ . 1 . 2]" 2
393 1 27 LEU HA 1 30 HIS HB3 . . 3.760 2.313 2.200 2.422 . 0 0 "[ . 1 . 2]" 2
394 1 11 PRO HB2 1 12 TYR QD . . 4.390 3.800 3.742 3.843 . 0 0 "[ . 1 . 2]" 2
395 1 11 PRO HG3 1 12 TYR QD . . 4.280 3.765 3.732 3.794 . 0 0 "[ . 1 . 2]" 2
396 1 11 PRO HG2 1 12 TYR QD . . 4.010 2.092 2.043 2.134 . 0 0 "[ . 1 . 2]" 2
397 1 27 LEU HA 1 27 LEU HG . . 4.080 3.382 3.332 3.443 . 0 0 "[ . 1 . 2]" 2
398 1 12 TYR QD 1 24 LEU HB3 . . 4.370 4.200 4.079 4.365 . 0 0 "[ . 1 . 2]" 2
399 1 12 TYR QD 1 24 LEU HG . . 4.380 3.792 3.034 4.399 0.019 11 0 "[ . 1 . 2]" 2
400 1 12 TYR QD 1 24 LEU HB2 . . 3.660 2.677 2.469 2.899 . 0 0 "[ . 1 . 2]" 2
401 1 12 TYR QD 1 24 LEU MD1 . . 4.590 3.212 1.901 4.491 . 0 0 "[ . 1 . 2]" 2
402 1 17 CYS HB2 1 18 GLY H . . 3.810 3.522 3.474 3.583 . 0 0 "[ . 1 . 2]" 2
403 1 16 ILE MD 1 17 CYS HB3 . . 5.500 5.426 5.197 5.495 . 0 0 "[ . 1 . 2]" 2
404 1 17 CYS HB3 1 33 ILE MD . . 5.500 5.497 5.461 5.506 0.006 5 0 "[ . 1 . 2]" 2
405 1 11 PRO HB3 1 12 TYR H . . 4.640 4.515 4.511 4.523 . 0 0 "[ . 1 . 2]" 2
406 1 11 PRO HB3 1 12 TYR QD . . 4.740 4.741 4.705 4.763 0.023 18 0 "[ . 1 . 2]" 2
407 1 11 PRO HB3 1 12 TYR QE . . 4.930 4.943 4.900 4.975 0.045 18 0 "[ . 1 . 2]" 2
408 1 23 HIS HA 1 24 LEU HA . . 4.710 4.318 4.309 4.335 . 0 0 "[ . 1 . 2]" 2
409 1 12 TYR HB2 1 24 LEU HA . . 4.470 3.307 2.987 3.915 . 0 0 "[ . 1 . 2]" 2
410 1 24 LEU HA 1 27 LEU HB3 . . 3.880 2.541 2.341 2.831 . 0 0 "[ . 1 . 2]" 2
411 1 24 LEU HA 1 27 LEU HG . . 5.500 4.781 4.571 5.085 . 0 0 "[ . 1 . 2]" 2
412 1 24 LEU HA 1 28 LYS HG3 . . 5.500 4.733 4.377 5.284 . 0 0 "[ . 1 . 2]" 2
413 1 24 LEU HA 1 27 LEU HB2 . . 4.060 3.389 3.216 3.757 . 0 0 "[ . 1 . 2]" 2
414 1 24 LEU HA 1 24 LEU HG . . 3.830 3.533 3.121 3.799 . 0 0 "[ . 1 . 2]" 2
415 1 13 PRO HB2 1 20 ARG HG2 . . 4.170 3.483 3.429 3.674 . 0 0 "[ . 1 . 2]" 2
416 1 13 PRO HB3 1 20 ARG HG2 . . 4.170 2.038 1.994 2.207 . 0 0 "[ . 1 . 2]" 2
417 1 8 GLY QA 1 9 GLU HA . . 4.620 4.003 3.936 4.219 . 0 0 "[ . 1 . 2]" 2
418 1 9 GLU HA 1 10 LYS HB2 . . 5.110 4.676 4.501 4.889 . 0 0 "[ . 1 . 2]" 2
419 1 28 LYS HB3 1 31 LEU MD1 . . 4.420 4.221 4.040 4.424 0.004 19 0 "[ . 1 . 2]" 2
420 1 21 PHE QD 1 23 HIS H . . 4.810 4.633 4.393 4.819 0.009 13 0 "[ . 1 . 2]" 2
421 1 21 PHE QD 1 26 THR HB . . 4.100 3.456 3.316 3.610 . 0 0 "[ . 1 . 2]" 2
422 1 21 PHE QD 1 27 LEU HA . . 4.060 3.308 3.249 3.421 . 0 0 "[ . 1 . 2]" 2
423 1 28 LYS HB3 1 28 LYS QE . . 4.530 3.896 3.066 4.277 . 0 0 "[ . 1 . 2]" 2
424 1 21 PHE QD 1 27 LEU HB3 . . 4.920 4.511 4.312 4.671 . 0 0 "[ . 1 . 2]" 2
425 1 21 PHE QD 1 26 THR MG . . 3.340 2.008 1.960 2.247 . 0 0 "[ . 1 . 2]" 2
426 1 11 PRO HB2 1 12 TYR HA . . 5.090 4.458 4.447 4.468 . 0 0 "[ . 1 . 2]" 2
427 1 32 ARG HB3 1 33 ILE H . . 5.160 3.393 3.134 3.704 . 0 0 "[ . 1 . 2]" 2
428 1 21 PHE H 1 21 PHE QE . . 5.260 5.054 4.863 5.233 . 0 0 "[ . 1 . 2]" 2
429 1 21 PHE QE 1 30 HIS HE1 . . 4.880 4.284 4.071 4.556 . 0 0 "[ . 1 . 2]" 2
430 1 21 PHE QE 1 26 THR HB . . 5.500 5.302 5.181 5.444 . 0 0 "[ . 1 . 2]" 2
431 1 19 THR HA 1 21 PHE QE . . 5.090 4.887 4.629 5.098 0.008 16 0 "[ . 1 . 2]" 2
432 1 14 CYS HB3 1 21 PHE QE . . 4.300 4.147 3.798 4.299 . 0 0 "[ . 1 . 2]" 2
433 1 21 PHE QE 1 30 HIS HB2 . . 4.270 2.691 2.473 2.765 . 0 0 "[ . 1 . 2]" 2
434 1 14 CYS HB2 1 21 PHE QE . . 3.690 2.798 2.542 2.954 . 0 0 "[ . 1 . 2]" 2
435 1 10 LYS HB3 1 10 LYS HD2 . . 4.140 3.495 2.345 3.958 . 0 0 "[ . 1 . 2]" 2
436 1 14 CYS H 1 21 PHE QE . . 5.150 4.681 4.164 4.996 . 0 0 "[ . 1 . 2]" 2
437 1 14 CYS HB2 1 17 CYS H . . 4.600 4.607 4.597 4.630 0.030 18 0 "[ . 1 . 2]" 2
438 1 14 CYS HB3 1 19 THR H . . 4.110 2.638 2.454 2.781 . 0 0 "[ . 1 . 2]" 2
439 1 14 CYS HB2 1 21 PHE QD . . 4.670 3.555 3.326 3.694 . 0 0 "[ . 1 . 2]" 2
440 1 14 CYS HB3 1 30 HIS HD2 . . 4.400 4.223 4.081 4.331 . 0 0 "[ . 1 . 2]" 2
441 1 14 CYS HB2 1 30 HIS HD2 . . 3.850 2.744 2.576 2.853 . 0 0 "[ . 1 . 2]" 2
442 1 13 PRO HA 1 14 CYS HB2 . . 4.890 4.651 4.550 4.703 . 0 0 "[ . 1 . 2]" 2
443 1 14 CYS HB2 1 18 GLY HA2 . . 4.580 4.364 4.124 4.465 . 0 0 "[ . 1 . 2]" 2
444 1 14 CYS HB3 1 19 THR HB . . 4.380 3.404 3.222 3.611 . 0 0 "[ . 1 . 2]" 2
445 1 14 CYS HB2 1 31 LEU MD2 . . 4.590 3.741 3.504 3.940 . 0 0 "[ . 1 . 2]" 2
446 1 15 GLU HB2 1 31 LEU MD1 . . 5.060 4.692 4.015 5.067 0.007 13 0 "[ . 1 . 2]" 2
447 1 15 GLU HB3 1 31 LEU MD1 . . 5.060 3.831 3.295 5.063 0.003 19 0 "[ . 1 . 2]" 2
448 1 23 HIS HA 1 24 LEU HB2 . . 4.690 4.431 4.379 4.489 . 0 0 "[ . 1 . 2]" 2
449 1 28 LYS H 1 28 LYS QD . . 4.290 3.547 3.200 4.202 . 0 0 "[ . 1 . 2]" 2
450 1 13 PRO HA 1 20 ARG HG3 . . 4.570 2.811 2.385 3.399 . 0 0 "[ . 1 . 2]" 2
451 1 13 PRO HA 1 20 ARG HG2 . . 4.300 2.017 1.991 2.067 . 0 0 "[ . 1 . 2]" 2
452 1 28 LYS HB2 1 28 LYS QD . . 3.730 2.352 2.217 2.783 . 0 0 "[ . 1 . 2]" 2
453 1 31 LEU MD2 1 34 HIS HB3 . . 5.310 5.105 4.957 5.222 . 0 0 "[ . 1 . 2]" 2
454 1 21 PHE HZ 1 30 HIS HD2 . . 4.840 3.761 3.537 3.984 . 0 0 "[ . 1 . 2]" 2
455 1 10 LYS HA 1 22 ARG HA . . 3.900 2.207 2.086 2.403 . 0 0 "[ . 1 . 2]" 2
456 1 10 LYS HA 1 20 ARG HB2 . . 4.790 4.494 4.247 4.759 . 0 0 "[ . 1 . 2]" 2
457 1 16 ILE H 1 16 ILE HG13 . . 4.000 2.870 2.658 2.932 . 0 0 "[ . 1 . 2]" 2
458 1 16 ILE HG13 1 17 CYS H . . 4.720 4.509 4.432 4.538 . 0 0 "[ . 1 . 2]" 2
459 1 21 PHE HZ 1 30 HIS HB2 . . 4.670 2.393 2.207 2.678 . 0 0 "[ . 1 . 2]" 2
460 1 21 PHE HZ 1 30 HIS HB3 . . 4.270 3.367 3.134 3.466 . 0 0 "[ . 1 . 2]" 2
461 1 21 PHE HZ 1 27 LEU MD1 . . 4.900 3.946 3.667 4.208 . 0 0 "[ . 1 . 2]" 2
462 1 16 ILE HG13 1 16 ILE MG . . 3.530 2.720 2.657 2.743 . 0 0 "[ . 1 . 2]" 2
463 1 27 LEU HG 1 28 LYS H . . 4.510 3.333 3.066 3.487 . 0 0 "[ . 1 . 2]" 2
464 1 30 HIS HB2 1 31 LEU H . . 4.490 4.303 4.189 4.376 . 0 0 "[ . 1 . 2]" 2
465 1 21 PHE QE 1 30 HIS HB3 . . 4.500 3.396 3.322 3.522 . 0 0 "[ . 1 . 2]" 2
466 1 27 LEU HG 1 28 LYS HA . . 4.540 3.363 3.201 3.478 . 0 0 "[ . 1 . 2]" 2
467 1 27 LEU HG 1 30 HIS HB3 . . 4.550 4.287 4.178 4.395 . 0 0 "[ . 1 . 2]" 2
468 1 27 LEU MD1 1 30 HIS HB2 . . 4.210 3.629 3.540 3.728 . 0 0 "[ . 1 . 2]" 2
469 1 25 GLN HB2 1 26 THR H . . 4.570 3.774 3.500 3.926 . 0 0 "[ . 1 . 2]" 2
470 1 32 ARG H 1 32 ARG HG2 . . 4.190 4.026 3.810 4.194 0.004 1 0 "[ . 1 . 2]" 2
471 1 32 ARG HA 1 32 ARG HG2 . . 3.870 3.608 3.473 3.677 . 0 0 "[ . 1 . 2]" 2
472 1 30 HIS HD2 1 34 HIS HD2 . . 4.430 3.729 3.565 3.910 . 0 0 "[ . 1 . 2]" 2
473 1 34 HIS HB3 1 34 HIS HD2 . . 3.850 3.577 3.528 3.633 . 0 0 "[ . 1 . 2]" 2
474 1 31 LEU HB2 1 34 HIS HD2 . . 4.820 4.698 4.625 4.798 . 0 0 "[ . 1 . 2]" 2
475 1 31 LEU HB3 1 34 HIS HD2 . . 4.660 3.426 3.303 3.595 . 0 0 "[ . 1 . 2]" 2
476 1 16 ILE HB 1 34 HIS HD2 . . 4.240 2.701 2.608 2.878 . 0 0 "[ . 1 . 2]" 2
477 1 28 LYS HA 1 31 LEU HG . . 3.810 2.258 2.135 2.388 . 0 0 "[ . 1 . 2]" 2
478 1 31 LEU HG 1 34 HIS HD2 . . 5.230 4.977 4.902 5.051 . 0 0 "[ . 1 . 2]" 2
479 1 24 LEU HG 1 28 LYS QE . . 4.530 3.106 2.178 3.939 . 0 0 "[ . 1 . 2]" 2
480 1 24 LEU HG 1 28 LYS QD . . 4.690 3.506 2.250 4.557 . 0 0 "[ . 1 . 2]" 2
481 1 24 LEU HG 1 28 LYS HG3 . . 5.100 3.838 2.585 5.063 . 0 0 "[ . 1 . 2]" 2
482 1 14 CYS H 1 30 HIS HD2 . . 5.500 5.409 5.248 5.509 0.009 18 0 "[ . 1 . 2]" 2
483 1 21 PHE QE 1 30 HIS HD2 . . 4.010 2.657 2.487 2.950 . 0 0 "[ . 1 . 2]" 2
484 1 12 TYR HA 1 13 PRO HG2 . . 4.680 4.138 4.132 4.148 . 0 0 "[ . 1 . 2]" 2
485 1 10 LYS HA 1 11 PRO HG3 . . 5.070 4.738 4.578 4.955 . 0 0 "[ . 1 . 2]" 2
486 1 10 LYS HA 1 11 PRO HG2 . . 4.480 4.262 4.167 4.408 . 0 0 "[ . 1 . 2]" 2
487 1 30 HIS HA 1 30 HIS HD2 . . 5.170 4.817 4.779 4.847 . 0 0 "[ . 1 . 2]" 2
488 1 30 HIS HD2 1 31 LEU HA . . 4.310 4.100 3.838 4.246 . 0 0 "[ . 1 . 2]" 2
489 1 30 HIS HD2 1 31 LEU HG . . 4.990 4.625 4.297 4.810 . 0 0 "[ . 1 . 2]" 2
490 1 30 HIS HD2 1 31 LEU HB3 . . 5.500 5.387 5.172 5.510 0.010 18 0 "[ . 1 . 2]" 2
491 1 19 THR MG 1 30 HIS HD2 . . 4.710 4.492 4.272 4.674 . 0 0 "[ . 1 . 2]" 2
492 1 27 LEU MD2 1 28 LYS H . . 4.410 4.203 3.939 4.347 . 0 0 "[ . 1 . 2]" 2
493 1 12 TYR QD 1 27 LEU MD2 . . 4.400 3.705 3.532 3.885 . 0 0 "[ . 1 . 2]" 2
494 1 27 LEU MD2 1 30 HIS HD2 . . 4.880 4.357 4.172 4.510 . 0 0 "[ . 1 . 2]" 2
495 1 12 TYR HA 1 13 PRO HG3 . . 4.680 4.512 4.497 4.539 . 0 0 "[ . 1 . 2]" 2
496 1 12 TYR HA 1 27 LEU MD2 . . 4.190 3.817 3.631 3.968 . 0 0 "[ . 1 . 2]" 2
497 1 24 LEU HA 1 27 LEU MD2 . . 3.800 3.387 3.253 3.663 . 0 0 "[ . 1 . 2]" 2
498 1 27 LEU HA 1 27 LEU MD2 . . 4.120 3.880 3.813 3.922 . 0 0 "[ . 1 . 2]" 2
499 1 12 TYR HB3 1 27 LEU MD2 . . 3.490 2.257 2.009 2.489 . 0 0 "[ . 1 . 2]" 2
500 1 12 TYR HB2 1 27 LEU MD2 . . 3.420 3.137 2.905 3.401 . 0 0 "[ . 1 . 2]" 2
501 1 27 LEU HB3 1 27 LEU MD2 . . 3.390 2.370 2.263 2.442 . 0 0 "[ . 1 . 2]" 2
502 1 27 LEU HB2 1 27 LEU MD2 . . 3.310 2.269 2.203 2.383 . 0 0 "[ . 1 . 2]" 2
503 1 12 TYR HA 1 13 PRO HD2 . . 3.360 1.963 1.954 1.982 . 0 0 "[ . 1 . 2]" 2
504 1 12 TYR HA 1 13 PRO HD3 . . 3.430 2.715 2.693 2.753 . 0 0 "[ . 1 . 2]" 2
505 1 12 TYR HB3 1 13 PRO HD2 . . 4.570 4.055 4.018 4.118 . 0 0 "[ . 1 . 2]" 2
506 1 12 TYR HB3 1 13 PRO HD3 . . 5.050 4.930 4.912 4.959 . 0 0 "[ . 1 . 2]" 2
507 1 12 TYR HB2 1 13 PRO HD2 . . 4.920 4.792 4.780 4.812 . 0 0 "[ . 1 . 2]" 2
508 1 12 TYR HB2 1 13 PRO HD3 . . 5.320 5.067 5.050 5.076 . 0 0 "[ . 1 . 2]" 2
509 1 13 PRO HD2 1 27 LEU MD2 . . 4.480 4.343 4.181 4.473 . 0 0 "[ . 1 . 2]" 2
510 1 13 PRO HD3 1 27 LEU MD2 . . 5.390 5.118 4.986 5.229 . 0 0 "[ . 1 . 2]" 2
511 1 28 LYS H 1 28 LYS HG2 . . 4.130 3.792 3.450 3.994 . 0 0 "[ . 1 . 2]" 2
512 1 11 PRO HD2 1 12 TYR H . . 4.410 3.058 3.047 3.076 . 0 0 "[ . 1 . 2]" 2
513 1 30 HIS HD2 1 31 LEU MD1 . . 5.000 4.724 4.506 4.909 . 0 0 "[ . 1 . 2]" 2
514 1 11 PRO HD2 1 12 TYR QD . . 4.440 2.704 2.655 2.744 . 0 0 "[ . 1 . 2]" 2
515 1 31 LEU MD1 1 34 HIS HD2 . . 4.700 4.412 4.268 4.638 . 0 0 "[ . 1 . 2]" 2
516 1 10 LYS HA 1 11 PRO HD2 . . 3.520 2.151 2.010 2.355 . 0 0 "[ . 1 . 2]" 2
517 1 10 LYS HA 1 11 PRO HD3 . . 3.520 3.000 2.806 3.246 . 0 0 "[ . 1 . 2]" 2
518 1 11 PRO HD2 1 22 ARG HA . . 3.950 2.925 2.602 3.196 . 0 0 "[ . 1 . 2]" 2
519 1 28 LYS HA 1 31 LEU MD1 . . 3.220 2.572 2.344 2.766 . 0 0 "[ . 1 . 2]" 2
520 1 31 LEU MD1 1 34 HIS HB2 . . 5.090 4.970 4.849 5.091 0.001 11 0 "[ . 1 . 2]" 2
521 1 31 LEU MD1 1 32 ARG QD . . 5.000 4.815 4.636 5.001 0.001 13 0 "[ . 1 . 2]" 2
522 1 31 LEU HB2 1 31 LEU MD1 . . 3.260 2.493 2.405 2.544 . 0 0 "[ . 1 . 2]" 2
523 1 31 LEU HB3 1 31 LEU MD1 . . 3.210 2.165 2.086 2.255 . 0 0 "[ . 1 . 2]" 2
524 1 28 LYS HG3 1 31 LEU MD1 . . 4.460 4.176 3.794 4.456 . 0 0 "[ . 1 . 2]" 2
525 1 28 LYS HG2 1 31 LEU MD1 . . 3.900 3.603 3.188 3.902 0.002 20 0 "[ . 1 . 2]" 2
526 1 16 ILE MD 1 31 LEU MD1 . . 3.900 2.428 2.232 2.651 . 0 0 "[ . 1 . 2]" 2
527 1 24 LEU MD1 1 27 LEU HB3 . . 4.820 2.702 1.957 3.709 . 0 0 "[ . 1 . 2]" 2
528 1 30 HIS HD2 1 31 LEU MD2 . . 3.550 2.214 1.954 2.359 . 0 0 "[ . 1 . 2]" 2
529 1 12 TYR QE 1 24 LEU MD1 . . 4.830 4.164 3.373 4.832 0.002 18 0 "[ . 1 . 2]" 2
530 1 31 LEU MD2 1 34 HIS HD2 . . 3.260 2.474 2.374 2.629 . 0 0 "[ . 1 . 2]" 2
531 1 30 HIS HA 1 31 LEU MD2 . . 4.680 4.289 4.216 4.388 . 0 0 "[ . 1 . 2]" 2
532 1 31 LEU HA 1 31 LEU MD2 . . 2.980 2.305 2.248 2.356 . 0 0 "[ . 1 . 2]" 2
533 1 24 LEU HA 1 24 LEU MD1 . . 3.690 2.452 1.885 3.199 . 0 0 "[ . 1 . 2]" 2
534 1 31 LEU MD2 1 34 HIS HB2 . . 4.250 4.128 4.017 4.250 0.000 4 0 "[ . 1 . 2]" 2
535 1 27 LEU HA 1 31 LEU MD2 . . 3.900 3.865 3.759 3.904 0.004 8 0 "[ . 1 . 2]" 2
536 1 30 HIS HB3 1 31 LEU MD2 . . 4.520 2.790 2.688 2.906 . 0 0 "[ . 1 . 2]" 2
537 1 31 LEU HB2 1 31 LEU MD2 . . 3.410 3.176 3.170 3.184 . 0 0 "[ . 1 . 2]" 2
538 1 24 LEU MD1 1 28 LYS QD . . 4.060 2.695 1.853 4.021 . 0 0 "[ . 1 . 2]" 2
539 1 24 LEU MD1 1 28 LYS HG3 . . 4.210 2.284 1.897 2.801 . 0 0 "[ . 1 . 2]" 2
540 1 24 LEU HB3 1 24 LEU MD1 . . 3.270 2.695 2.142 3.178 . 0 0 "[ . 1 . 2]" 2
541 1 24 LEU HB2 1 24 LEU MD1 . . 3.370 2.851 2.390 3.190 . 0 0 "[ . 1 . 2]" 2
542 1 16 ILE MD 1 31 LEU MD2 . . 3.260 1.832 1.796 1.919 . 0 0 "[ . 1 . 2]" 2
543 1 16 ILE MG 1 31 LEU MD2 . . 4.750 4.713 4.644 4.761 0.011 19 0 "[ . 1 . 2]" 2
544 1 16 ILE H 1 31 LEU MD2 . . 4.550 3.497 3.390 3.649 . 0 0 "[ . 1 . 2]" 2
545 1 26 THR MG 1 27 LEU H . . 4.310 3.431 3.235 3.570 . 0 0 "[ . 1 . 2]" 2
546 1 21 PHE QE 1 26 THR MG . . 3.840 3.230 3.110 3.366 . 0 0 "[ . 1 . 2]" 2
547 1 38 GLY HA2 1 39 PRO QD . . 3.360 2.413 1.968 3.348 . 0 0 "[ . 1 . 2]" 2
548 1 26 THR HA 1 26 THR MG . . 3.230 2.377 2.275 2.471 . 0 0 "[ . 1 . 2]" 2
549 1 21 PHE HB2 1 26 THR MG . . 4.230 4.171 4.029 4.232 0.002 10 0 "[ . 1 . 2]" 2
550 1 26 THR MG 1 27 LEU HA . . 4.330 3.582 3.407 3.730 . 0 0 "[ . 1 . 2]" 2
551 1 21 PHE HB3 1 26 THR MG . . 4.230 3.011 2.904 3.102 . 0 0 "[ . 1 . 2]" 2
552 1 26 THR MG 1 27 LEU MD1 . . 4.990 4.837 4.697 4.923 . 0 0 "[ . 1 . 2]" 2
553 1 33 ILE MD 1 34 HIS H . . 4.480 4.229 3.933 4.424 . 0 0 "[ . 1 . 2]" 2
554 1 33 ILE H 1 33 ILE HG13 . . 4.280 3.327 2.929 3.540 . 0 0 "[ . 1 . 2]" 2
555 1 10 LYS QE 1 10 LYS HG3 . . 3.520 2.677 2.081 3.501 . 0 0 "[ . 1 . 2]" 2
556 1 12 TYR QD 1 21 PHE H . . 5.000 4.717 4.451 4.859 . 0 0 "[ . 1 . 2]" 2
557 1 12 TYR QD 1 23 HIS H . . 5.200 4.841 4.533 5.073 . 0 0 "[ . 1 . 2]" 2
558 1 12 TYR QE 1 24 LEU MD2 . . 4.830 2.622 1.937 3.515 . 0 0 "[ . 1 . 2]" 2
559 1 13 PRO HA 1 20 ARG HA . . 4.360 1.995 1.985 2.003 . 0 0 "[ . 1 . 2]" 2
560 1 10 LYS HB2 1 20 ARG HD3 . . 4.520 3.157 2.609 4.496 . 0 0 "[ . 1 . 2]" 2
561 1 21 PHE QD 1 27 LEU MD2 . . 4.070 3.341 3.030 3.596 . 0 0 "[ . 1 . 2]" 2
562 1 21 PHE QD 1 27 LEU HG . . 4.910 4.718 4.579 4.815 . 0 0 "[ . 1 . 2]" 2
563 1 21 PHE QD 1 30 HIS HD2 . . 4.550 4.156 3.880 4.381 . 0 0 "[ . 1 . 2]" 2
564 1 21 PHE HZ 1 26 THR MG . . 5.410 4.967 4.804 5.113 . 0 0 "[ . 1 . 2]" 2
565 1 21 PHE HZ 1 30 HIS HA . . 5.150 4.269 4.103 4.588 . 0 0 "[ . 1 . 2]" 2
566 1 23 HIS HE1 1 25 GLN QG . . 5.490 5.263 5.054 5.402 . 0 0 "[ . 1 . 2]" 2
567 1 26 THR MG 1 29 SER QB . . 4.010 3.321 3.042 3.562 . 0 0 "[ . 1 . 2]" 2
568 1 8 GLY QA 1 9 GLU QB . . 4.550 4.133 3.826 4.499 . 0 0 "[ . 1 . 2]" 2
569 1 9 GLU H 1 9 GLU QB . . 3.640 2.568 2.201 3.362 . 0 0 "[ . 1 . 2]" 2
570 1 9 GLU H 1 9 GLU QG . . 4.600 3.034 2.002 4.240 . 0 0 "[ . 1 . 2]" 2
571 1 9 GLU HA 1 9 GLU QG . . 3.640 2.644 2.221 3.451 . 0 0 "[ . 1 . 2]" 2
572 1 9 GLU QB 1 10 LYS H . . 4.330 2.893 2.023 3.645 . 0 0 "[ . 1 . 2]" 2
573 1 9 GLU QB 1 10 LYS HB2 . . 5.340 4.724 3.854 5.338 . 0 0 "[ . 1 . 2]" 2
574 1 10 LYS H 1 10 LYS QG . . 3.880 2.869 2.218 3.470 . 0 0 "[ . 1 . 2]" 2
575 1 10 LYS HA 1 10 LYS QG . . 3.730 2.504 2.304 3.090 . 0 0 "[ . 1 . 2]" 2
576 1 10 LYS HA 1 22 ARG QB . . 5.180 4.138 3.930 4.325 . 0 0 "[ . 1 . 2]" 2
577 1 10 LYS HB2 1 10 LYS QD . . 3.570 2.299 2.062 3.290 . 0 0 "[ . 1 . 2]" 2
578 1 10 LYS HB3 1 10 LYS QD . . 3.610 2.844 2.270 3.245 . 0 0 "[ . 1 . 2]" 2
579 1 10 LYS QG 1 22 ARG HA . . 4.300 2.679 2.185 4.089 . 0 0 "[ . 1 . 2]" 2
580 1 11 PRO QD 1 12 TYR H . . 3.710 2.973 2.964 2.989 . 0 0 "[ . 1 . 2]" 2
581 1 11 PRO QD 1 12 TYR QD . . 3.790 2.673 2.627 2.711 . 0 0 "[ . 1 . 2]" 2
582 1 11 PRO QD 1 12 TYR QE . . 4.260 3.765 3.684 3.857 . 0 0 "[ . 1 . 2]" 2
583 1 11 PRO QD 1 22 ARG HA . . 3.360 2.845 2.569 3.067 . 0 0 "[ . 1 . 2]" 2
584 1 12 TYR HA 1 13 PRO QG . . 4.000 3.828 3.820 3.843 . 0 0 "[ . 1 . 2]" 2
585 1 12 TYR HA 1 24 LEU QD . . 4.530 3.976 3.822 4.340 . 0 0 "[ . 1 . 2]" 2
586 1 12 TYR HB3 1 24 LEU QD . . 4.360 2.226 1.963 2.854 . 0 0 "[ . 1 . 2]" 2
587 1 12 TYR QD 1 24 LEU QD . . 3.550 1.900 1.782 1.988 . 0 0 "[ . 1 . 2]" 2
588 1 12 TYR QE 1 24 LEU QD . . 3.780 2.585 1.932 3.398 . 0 0 "[ . 1 . 2]" 2
589 1 13 PRO QB 1 20 ARG HG3 . . 4.440 3.177 2.909 3.625 . 0 0 "[ . 1 . 2]" 2
590 1 13 PRO QG 1 20 ARG HG2 . . 4.540 3.826 3.702 4.050 . 0 0 "[ . 1 . 2]" 2
591 1 15 GLU H 1 15 GLU QB . . 3.510 2.437 2.253 2.834 . 0 0 "[ . 1 . 2]" 2
592 1 15 GLU QB 1 16 ILE H . . 4.100 2.893 2.646 3.456 . 0 0 "[ . 1 . 2]" 2
593 1 15 GLU QB 1 16 ILE MD . . 3.890 3.016 2.670 3.780 . 0 0 "[ . 1 . 2]" 2
594 1 15 GLU QG 1 16 ILE QG . . 4.260 3.292 2.506 4.333 0.073 19 0 "[ . 1 . 2]" 2
595 1 16 ILE H 1 16 ILE QG . . 3.420 2.789 2.601 2.844 . 0 0 "[ . 1 . 2]" 2
596 1 16 ILE QG 1 16 ILE MG . . 3.080 1.992 1.939 2.090 . 0 0 "[ . 1 . 2]" 2
597 1 16 ILE QG 1 17 CYS H . . 4.140 4.043 3.993 4.066 . 0 0 "[ . 1 . 2]" 2
598 1 16 ILE QG 1 34 HIS HD2 . . 4.100 3.031 2.844 3.178 . 0 0 "[ . 1 . 2]" 2
599 1 20 ARG H 1 20 ARG QD . . 3.930 3.454 3.142 3.918 . 0 0 "[ . 1 . 2]" 2
600 1 21 PHE H 1 21 PHE QB . . 3.620 2.603 2.503 2.740 . 0 0 "[ . 1 . 2]" 2
601 1 21 PHE QB 1 23 HIS H . . 3.710 2.912 2.690 3.100 . 0 0 "[ . 1 . 2]" 2
602 1 21 PHE QB 1 26 THR HB . . 3.720 2.807 2.593 3.101 . 0 0 "[ . 1 . 2]" 2
603 1 21 PHE QB 1 26 THR MG . . 3.650 2.945 2.849 3.026 . 0 0 "[ . 1 . 2]" 2
604 1 21 PHE QB 1 27 LEU H . . 3.900 3.059 2.910 3.213 . 0 0 "[ . 1 . 2]" 2
605 1 21 PHE QB 1 27 LEU HA . . 4.460 3.184 3.010 3.427 . 0 0 "[ . 1 . 2]" 2
606 1 21 PHE QB 1 27 LEU HB2 . . 3.860 2.020 1.983 2.152 . 0 0 "[ . 1 . 2]" 2
607 1 21 PHE QB 1 27 LEU MD2 . . 4.680 3.402 3.129 3.589 . 0 0 "[ . 1 . 2]" 2
608 1 22 ARG HA 1 22 ARG QG . . 3.540 2.827 2.252 3.344 . 0 0 "[ . 1 . 2]" 2
609 1 22 ARG QB 1 22 ARG QD . . 3.170 2.235 2.082 2.616 . 0 0 "[ . 1 . 2]" 2
610 1 22 ARG QB 1 23 HIS H . . 3.820 2.714 2.202 3.385 . 0 0 "[ . 1 . 2]" 2
611 1 22 ARG QB 1 23 HIS HD2 . . 4.620 2.998 2.023 4.025 . 0 0 "[ . 1 . 2]" 2
612 1 22 ARG QG 1 23 HIS H . . 4.450 3.019 1.822 4.207 . 0 0 "[ . 1 . 2]" 2
613 1 22 ARG QG 1 23 HIS HD2 . . 4.700 2.834 1.902 4.541 . 0 0 "[ . 1 . 2]" 2
614 1 23 HIS HB3 1 25 GLN QE . . 4.750 3.734 3.010 4.541 . 0 0 "[ . 1 . 2]" 2
615 1 24 LEU H 1 24 LEU QD . . 3.870 3.616 3.559 3.730 . 0 0 "[ . 1 . 2]" 2
616 1 24 LEU HA 1 24 LEU QD . . 3.020 1.928 1.879 2.002 . 0 0 "[ . 1 . 2]" 2
617 1 24 LEU QD 1 25 GLN HA . . 4.540 3.337 2.370 4.431 . 0 0 "[ . 1 . 2]" 2
618 1 24 LEU QD 1 27 LEU H . . 4.380 3.643 3.306 3.827 . 0 0 "[ . 1 . 2]" 2
619 1 24 LEU QD 1 27 LEU HB3 . . 3.730 2.323 1.956 2.821 . 0 0 "[ . 1 . 2]" 2
620 1 24 LEU QD 1 27 LEU MD2 . . 3.560 2.324 2.090 2.734 . 0 0 "[ . 1 . 2]" 2
621 1 24 LEU QD 1 28 LYS H . . 4.270 2.862 2.568 3.301 . 0 0 "[ . 1 . 2]" 2
622 1 24 LEU QD 1 28 LYS HB2 . . 4.580 3.726 2.795 4.493 . 0 0 "[ . 1 . 2]" 2
623 1 24 LEU QD 1 28 LYS HG2 . . 4.430 3.427 3.116 3.773 . 0 0 "[ . 1 . 2]" 2
624 1 24 LEU QD 1 28 LYS HG3 . . 3.510 2.254 1.863 2.743 . 0 0 "[ . 1 . 2]" 2
625 1 24 LEU QD 1 28 LYS QD . . 3.550 2.554 1.849 3.387 . 0 0 "[ . 1 . 2]" 2
626 1 24 LEU QD 1 28 LYS QE . . 3.150 2.327 1.812 3.139 . 0 0 "[ . 1 . 2]" 2
627 1 25 GLN QB 1 26 THR H . . 3.800 3.465 3.304 3.572 . 0 0 "[ . 1 . 2]" 2
628 1 25 GLN QE 1 26 THR H . . 5.310 4.137 3.043 5.038 . 0 0 "[ . 1 . 2]" 2
629 1 29 SER HA 1 32 ARG QG . . 4.500 3.713 3.174 4.030 . 0 0 "[ . 1 . 2]" 2
630 1 32 ARG H 1 32 ARG QG . . 3.590 3.540 3.419 3.596 0.006 15 0 "[ . 1 . 2]" 2
631 1 32 ARG HA 1 32 ARG QG . . 3.280 2.363 2.150 2.551 . 0 0 "[ . 1 . 2]" 2
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