Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
507586 | 2emy RC | 10227 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2emy
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 57
_Distance_constraint_stats_list.Viol_total 1.432
_Distance_constraint_stats_list.Viol_max 0.006
_Distance_constraint_stats_list.Viol_rms 0.0007
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0003
_Distance_constraint_stats_list.Viol_average_violations_only 0.0013
_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 0.036 0.006 12 0 "[ . 1 . 2]"
1 18 CYS 0.003 0.001 19 0 "[ . 1 . 2]"
1 31 HIS 0.010 0.002 5 0 "[ . 1 . 2]"
1 35 HIS 0.023 0.005 12 0 "[ . 1 . 2]"
2 1 ZN 0.071 0.006 12 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 2.365 2.329 2.373 0.003 10 0 "[ . 1 . 2]" 1
2 1 18 CYS SG 2 1 ZN ZN . 2.330 2.370 2.348 2.329 2.370 0.001 10 0 "[ . 1 . 2]" 1
3 1 31 HIS NE2 2 1 ZN ZN . 2.330 2.370 2.334 2.328 2.366 0.002 5 0 "[ . 1 . 2]" 1
4 1 35 HIS NE2 2 1 ZN ZN . 2.330 2.370 2.329 2.325 2.333 0.005 12 0 "[ . 1 . 2]" 1
5 1 15 CYS CB 2 1 ZN ZN . 3.250 3.510 3.249 3.244 3.253 0.006 12 0 "[ . 1 . 2]" 1
6 1 18 CYS CB 2 1 ZN ZN . 3.250 3.510 3.343 3.249 3.482 0.001 19 0 "[ . 1 . 2]" 1
7 1 15 CYS SG 1 18 CYS SG . 3.200 4.000 3.964 3.886 3.998 . 0 0 "[ . 1 . 2]" 1
8 1 15 CYS SG 1 31 HIS NE2 . 3.200 4.000 3.956 3.861 4.000 . 0 0 "[ . 1 . 2]" 1
9 1 15 CYS SG 1 35 HIS NE2 . 3.200 4.000 3.922 3.728 4.000 0.000 15 0 "[ . 1 . 2]" 1
10 1 18 CYS SG 1 31 HIS NE2 . 3.200 4.000 3.334 3.199 3.509 0.001 15 0 "[ . 1 . 2]" 1
11 1 18 CYS SG 1 35 HIS NE2 . 3.200 4.000 3.877 3.735 3.978 . 0 0 "[ . 1 . 2]" 1
12 1 31 HIS NE2 1 35 HIS NE2 . 3.200 4.000 3.794 3.650 3.987 . 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 829
_Distance_constraint_stats_list.Viol_count 582
_Distance_constraint_stats_list.Viol_total 157.322
_Distance_constraint_stats_list.Viol_max 0.106
_Distance_constraint_stats_list.Viol_rms 0.0041
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0005
_Distance_constraint_stats_list.Viol_average_violations_only 0.0135
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 7 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 GLU 0.208 0.054 3 0 "[ . 1 . 2]"
1 11 ASN 0.153 0.050 16 0 "[ . 1 . 2]"
1 12 PRO 0.128 0.028 1 0 "[ . 1 . 2]"
1 13 TYR 0.259 0.018 2 0 "[ . 1 . 2]"
1 14 GLU 0.237 0.012 16 0 "[ . 1 . 2]"
1 15 CYS 0.213 0.021 16 0 "[ . 1 . 2]"
1 16 HIS 0.894 0.078 18 0 "[ . 1 . 2]"
1 17 GLU 0.879 0.078 18 0 "[ . 1 . 2]"
1 18 CYS 0.026 0.006 12 0 "[ . 1 . 2]"
1 19 GLY 0.113 0.011 11 0 "[ . 1 . 2]"
1 20 LYS 0.465 0.068 16 0 "[ . 1 . 2]"
1 21 ALA 0.416 0.068 16 0 "[ . 1 . 2]"
1 22 PHE 1.494 0.038 14 0 "[ . 1 . 2]"
1 23 SER 0.025 0.006 12 0 "[ . 1 . 2]"
1 24 ARG 0.169 0.015 15 0 "[ . 1 . 2]"
1 25 LYS 0.087 0.032 12 0 "[ . 1 . 2]"
1 26 TYR 1.537 0.076 17 0 "[ . 1 . 2]"
1 27 GLN 0.698 0.042 10 0 "[ . 1 . 2]"
1 28 LEU 2.497 0.042 10 0 "[ . 1 . 2]"
1 29 ILE 0.598 0.024 9 0 "[ . 1 . 2]"
1 30 SER 0.059 0.018 7 0 "[ . 1 . 2]"
1 31 HIS 0.732 0.034 14 0 "[ . 1 . 2]"
1 32 GLN 0.304 0.024 12 0 "[ . 1 . 2]"
1 33 ARG 0.556 0.106 12 0 "[ . 1 . 2]"
1 34 THR 0.383 0.053 7 0 "[ . 1 . 2]"
1 35 HIS 0.085 0.010 12 0 "[ . 1 . 2]"
1 36 ALA 0.023 0.007 12 0 "[ . 1 . 2]"
1 37 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 GLU 0.143 0.086 1 0 "[ . 1 . 2]"
1 39 LYS 0.136 0.078 20 0 "[ . 1 . 2]"
1 40 PRO 0.078 0.078 20 0 "[ . 1 . 2]"
1 42 GLY 0.016 0.015 19 0 "[ . 1 . 2]"
1 43 PRO 0.016 0.015 19 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 26 TYR H 1 26 TYR QE . . 4.960 4.814 4.728 4.912 . 0 0 "[ . 1 . 2]" 2
2 1 17 GLU HG3 1 18 CYS H . . 4.410 4.076 3.950 4.177 . 0 0 "[ . 1 . 2]" 2
3 1 24 ARG HB2 1 26 TYR H . . 4.550 3.326 3.225 3.432 . 0 0 "[ . 1 . 2]" 2
4 1 15 CYS H 1 18 CYS H . . 5.500 5.266 5.135 5.392 . 0 0 "[ . 1 . 2]" 2
5 1 17 GLU H 1 18 CYS H . . 3.010 2.278 2.055 2.522 . 0 0 "[ . 1 . 2]" 2
6 1 18 CYS H 1 35 HIS HE1 . . 4.480 4.388 4.142 4.482 0.002 20 0 "[ . 1 . 2]" 2
7 1 26 TYR H 1 26 TYR QD . . 3.870 2.567 2.461 2.668 . 0 0 "[ . 1 . 2]" 2
8 1 15 CYS HA 1 18 CYS H . . 5.400 4.814 4.593 4.980 . 0 0 "[ . 1 . 2]" 2
9 1 16 HIS HA 1 18 CYS H . . 5.500 4.696 4.393 4.872 . 0 0 "[ . 1 . 2]" 2
10 1 18 CYS H 1 19 GLY HA2 . . 4.540 4.276 4.146 4.357 . 0 0 "[ . 1 . 2]" 2
11 1 15 CYS HB3 1 18 CYS H . . 3.350 2.887 2.766 3.015 . 0 0 "[ . 1 . 2]" 2
12 1 26 TYR H 1 26 TYR HB3 . . 3.980 2.168 2.146 2.188 . 0 0 "[ . 1 . 2]" 2
13 1 26 TYR H 1 26 TYR HB2 . . 3.830 3.480 3.460 3.494 . 0 0 "[ . 1 . 2]" 2
14 1 18 CYS H 1 18 CYS HB3 . . 3.390 2.998 2.896 3.102 . 0 0 "[ . 1 . 2]" 2
15 1 17 GLU QB 1 18 CYS H . . 3.060 2.336 2.246 2.470 . 0 0 "[ . 1 . 2]" 2
16 1 17 GLU HG2 1 18 CYS H . . 4.760 4.719 4.652 4.760 0.000 13 0 "[ . 1 . 2]" 2
17 1 14 GLU H 1 21 ALA HA . . 4.660 4.594 4.491 4.665 0.005 15 0 "[ . 1 . 2]" 2
18 1 14 GLU H 1 15 CYS H . . 4.570 4.466 4.411 4.493 . 0 0 "[ . 1 . 2]" 2
19 1 13 TYR H 1 14 GLU H . . 4.280 4.071 3.990 4.206 . 0 0 "[ . 1 . 2]" 2
20 1 14 GLU H 1 22 PHE QD . . 5.100 4.838 4.722 4.895 . 0 0 "[ . 1 . 2]" 2
21 1 13 TYR HA 1 14 GLU H . . 2.730 2.167 2.146 2.178 . 0 0 "[ . 1 . 2]" 2
22 1 13 TYR HB3 1 14 GLU H . . 3.830 3.774 3.642 3.826 . 0 0 "[ . 1 . 2]" 2
23 1 14 GLU H 1 14 GLU HG3 . . 3.690 3.624 3.554 3.665 . 0 0 "[ . 1 . 2]" 2
24 1 14 GLU H 1 14 GLU QB . . 2.960 2.383 2.350 2.473 . 0 0 "[ . 1 . 2]" 2
25 1 14 GLU H 1 28 LEU MD2 . . 3.570 3.077 2.919 3.260 . 0 0 "[ . 1 . 2]" 2
26 1 17 GLU H 1 19 GLY H . . 3.800 3.464 3.188 3.787 . 0 0 "[ . 1 . 2]" 2
27 1 18 CYS H 1 19 GLY H . . 2.780 2.123 2.009 2.199 . 0 0 "[ . 1 . 2]" 2
28 1 19 GLY H 1 19 GLY HA2 . . 2.870 2.512 2.490 2.534 . 0 0 "[ . 1 . 2]" 2
29 1 15 CYS HB3 1 19 GLY H . . 3.490 2.235 2.100 2.347 . 0 0 "[ . 1 . 2]" 2
30 1 18 CYS HB3 1 19 GLY H . . 4.740 3.855 3.813 3.902 . 0 0 "[ . 1 . 2]" 2
31 1 17 GLU QB 1 19 GLY H . . 4.360 4.242 4.187 4.336 . 0 0 "[ . 1 . 2]" 2
32 1 15 CYS H 1 19 GLY H . . 4.540 4.052 3.951 4.156 . 0 0 "[ . 1 . 2]" 2
33 1 30 SER H 1 32 GLN H . . 4.640 4.454 4.399 4.548 . 0 0 "[ . 1 . 2]" 2
34 1 29 ILE H 1 30 SER H . . 3.300 2.888 2.823 2.948 . 0 0 "[ . 1 . 2]" 2
35 1 26 TYR QD 1 30 SER H . . 4.850 4.425 4.293 4.564 . 0 0 "[ . 1 . 2]" 2
36 1 15 CYS HA 1 19 GLY H . . 5.140 4.798 4.623 4.966 . 0 0 "[ . 1 . 2]" 2
37 1 16 HIS HA 1 19 GLY H . . 5.480 4.783 4.458 5.003 . 0 0 "[ . 1 . 2]" 2
38 1 30 SER H 1 30 SER HB2 . . 3.310 2.376 2.220 2.652 . 0 0 "[ . 1 . 2]" 2
39 1 30 SER H 1 30 SER HB3 . . 3.310 2.724 2.429 2.915 . 0 0 "[ . 1 . 2]" 2
40 1 28 LEU HA 1 30 SER H . . 4.560 4.510 4.436 4.562 0.002 12 0 "[ . 1 . 2]" 2
41 1 30 SER H 1 31 HIS HB3 . . 4.910 4.879 4.825 4.924 0.014 12 0 "[ . 1 . 2]" 2
42 1 14 GLU QB 1 19 GLY H . . 5.330 5.226 5.149 5.290 . 0 0 "[ . 1 . 2]" 2
43 1 29 ILE HB 1 30 SER H . . 3.140 2.573 2.529 2.625 . 0 0 "[ . 1 . 2]" 2
44 1 29 ILE HG13 1 30 SER H . . 5.010 4.890 4.844 4.954 . 0 0 "[ . 1 . 2]" 2
45 1 29 ILE MG 1 30 SER H . . 3.470 2.907 2.707 3.027 . 0 0 "[ . 1 . 2]" 2
46 1 30 SER H 1 32 GLN HG3 . . 5.150 5.076 4.956 5.151 0.001 16 0 "[ . 1 . 2]" 2
47 1 38 GLU H 1 39 LYS H . . 4.410 4.117 2.734 4.468 0.058 8 0 "[ . 1 . 2]" 2
48 1 38 GLU HG2 1 39 LYS H . . 5.500 4.525 3.516 5.396 . 0 0 "[ . 1 . 2]" 2
49 1 38 GLU HG3 1 39 LYS H . . 5.500 4.729 3.090 5.405 . 0 0 "[ . 1 . 2]" 2
50 1 39 LYS H 1 39 LYS QG . . 4.250 3.183 1.892 4.210 . 0 0 "[ . 1 . 2]" 2
51 1 38 GLU HA 1 39 LYS H . . 3.110 2.363 2.138 2.771 . 0 0 "[ . 1 . 2]" 2
52 1 11 ASN HD21 1 21 ALA MB . . 4.590 2.727 1.880 3.655 . 0 0 "[ . 1 . 2]" 2
53 1 11 ASN HD22 1 21 ALA MB . . 4.590 3.312 2.957 3.779 . 0 0 "[ . 1 . 2]" 2
54 1 21 ALA H 1 22 PHE QE . . 4.910 3.821 3.690 3.939 . 0 0 "[ . 1 . 2]" 2
55 1 20 LYS HA 1 21 ALA H . . 2.570 2.510 2.465 2.566 . 0 0 "[ . 1 . 2]" 2
56 1 20 LYS HG2 1 21 ALA H . . 4.010 1.989 1.880 2.130 . 0 0 "[ . 1 . 2]" 2
57 1 20 LYS HB2 1 21 ALA H . . 3.850 3.830 3.755 3.918 0.068 16 0 "[ . 1 . 2]" 2
58 1 21 ALA H 1 21 ALA MB . . 2.750 2.548 2.506 2.652 . 0 0 "[ . 1 . 2]" 2
59 1 36 ALA H 1 37 GLY H . . 4.740 4.245 2.052 4.649 . 0 0 "[ . 1 . 2]" 2
60 1 21 ALA H 1 22 PHE QD . . 4.940 4.091 4.007 4.171 . 0 0 "[ . 1 . 2]" 2
61 1 35 HIS H 1 36 ALA H . . 3.460 2.536 2.408 2.605 . 0 0 "[ . 1 . 2]" 2
62 1 33 ARG HA 1 36 ALA H . . 4.090 3.379 3.268 3.744 . 0 0 "[ . 1 . 2]" 2
63 1 35 HIS HB3 1 36 ALA H . . 4.310 3.560 3.364 4.249 . 0 0 "[ . 1 . 2]" 2
64 1 36 ALA H 1 36 ALA MB . . 3.110 2.063 2.024 2.325 . 0 0 "[ . 1 . 2]" 2
65 1 20 LYS H 1 22 PHE QE . . 4.550 4.250 4.133 4.337 . 0 0 "[ . 1 . 2]" 2
66 1 20 LYS H 1 22 PHE HZ . . 5.500 5.426 5.217 5.510 0.010 4 0 "[ . 1 . 2]" 2
67 1 19 GLY H 1 20 LYS H . . 3.530 1.845 1.803 1.890 . 0 0 "[ . 1 . 2]" 2
68 1 20 LYS H 1 21 ALA H . . 4.640 4.578 4.531 4.607 . 0 0 "[ . 1 . 2]" 2
69 1 15 CYS HB3 1 20 LYS H . . 3.410 1.968 1.899 2.051 . 0 0 "[ . 1 . 2]" 2
70 1 15 CYS HB2 1 20 LYS H . . 3.730 3.243 3.048 3.343 . 0 0 "[ . 1 . 2]" 2
71 1 20 LYS H 1 20 LYS HB2 . . 3.170 2.335 2.241 2.478 . 0 0 "[ . 1 . 2]" 2
72 1 20 LYS H 1 20 LYS HB3 . . 3.270 2.783 2.626 2.877 . 0 0 "[ . 1 . 2]" 2
73 1 29 ILE MD 1 32 GLN HE22 . . 5.500 5.481 5.299 5.513 0.013 12 0 "[ . 1 . 2]" 2
74 1 32 GLN HA 1 32 GLN HE22 . . 5.500 5.482 5.439 5.516 0.016 14 0 "[ . 1 . 2]" 2
75 1 28 LEU HG 1 32 GLN HE21 . . 4.350 4.239 3.981 4.356 0.006 20 0 "[ . 1 . 2]" 2
76 1 15 CYS HA 1 32 GLN HE21 . . 4.440 3.225 3.027 3.357 . 0 0 "[ . 1 . 2]" 2
77 1 15 CYS HA 1 32 GLN HE22 . . 4.360 4.275 4.087 4.369 0.009 12 0 "[ . 1 . 2]" 2
78 1 32 GLN HE21 1 32 GLN HG2 . . 3.360 2.119 2.117 2.123 . 0 0 "[ . 1 . 2]" 2
79 1 32 GLN HE22 1 32 GLN HG2 . . 3.650 3.437 3.436 3.439 . 0 0 "[ . 1 . 2]" 2
80 1 32 GLN HB3 1 32 GLN HE21 . . 4.560 3.507 3.422 3.614 . 0 0 "[ . 1 . 2]" 2
81 1 28 LEU HG 1 32 GLN HE22 . . 4.700 4.423 4.312 4.516 . 0 0 "[ . 1 . 2]" 2
82 1 28 LEU MD1 1 32 GLN HE21 . . 3.630 3.059 2.873 3.189 . 0 0 "[ . 1 . 2]" 2
83 1 28 LEU MD2 1 32 GLN HE22 . . 4.420 3.929 3.777 4.072 . 0 0 "[ . 1 . 2]" 2
84 1 28 LEU MD1 1 32 GLN HE22 . . 4.780 3.951 3.837 4.035 . 0 0 "[ . 1 . 2]" 2
85 1 26 TYR HA 1 28 LEU H . . 4.540 3.780 3.745 3.819 . 0 0 "[ . 1 . 2]" 2
86 1 22 PHE HB3 1 28 LEU H . . 4.220 3.806 3.718 3.877 . 0 0 "[ . 1 . 2]" 2
87 1 27 GLN HB2 1 28 LEU H . . 3.480 2.969 2.931 3.006 . 0 0 "[ . 1 . 2]" 2
88 1 28 LEU H 1 28 LEU HB2 . . 3.250 3.006 2.968 3.040 . 0 0 "[ . 1 . 2]" 2
89 1 28 LEU H 1 28 LEU MD2 . . 4.660 4.255 4.206 4.296 . 0 0 "[ . 1 . 2]" 2
90 1 28 LEU H 1 28 LEU MD1 . . 5.000 4.222 4.174 4.262 . 0 0 "[ . 1 . 2]" 2
91 1 8 THR H 1 9 GLY H . . 5.500 3.908 2.027 4.638 . 0 0 "[ . 1 . 2]" 2
92 1 9 GLY H 1 10 GLU H . . 5.500 3.608 1.817 4.649 . 0 0 "[ . 1 . 2]" 2
93 1 28 LEU H 1 30 SER H . . 4.280 4.076 4.022 4.140 . 0 0 "[ . 1 . 2]" 2
94 1 22 PHE QD 1 28 LEU H . . 4.240 4.084 3.984 4.125 . 0 0 "[ . 1 . 2]" 2
95 1 13 TYR QD 1 28 LEU H . . 5.250 5.172 5.106 5.220 . 0 0 "[ . 1 . 2]" 2
96 1 27 GLN H 1 28 LEU H . . 3.140 2.758 2.730 2.797 . 0 0 "[ . 1 . 2]" 2
97 1 25 LYS HA 1 28 LEU H . . 3.790 3.674 3.635 3.714 . 0 0 "[ . 1 . 2]" 2
98 1 22 PHE HB2 1 28 LEU H . . 4.250 3.445 3.373 3.520 . 0 0 "[ . 1 . 2]" 2
99 1 28 LEU H 1 28 LEU HB3 . . 3.150 2.225 2.215 2.248 . 0 0 "[ . 1 . 2]" 2
100 1 27 GLN HB3 1 28 LEU H . . 3.840 3.824 3.778 3.855 0.015 12 0 "[ . 1 . 2]" 2
101 1 26 TYR HB3 1 28 LEU H . . 5.500 5.357 5.298 5.395 . 0 0 "[ . 1 . 2]" 2
102 1 28 LEU H 1 31 HIS HB3 . . 5.500 5.485 5.452 5.507 0.007 2 0 "[ . 1 . 2]" 2
103 1 15 CYS H 1 17 GLU H . . 5.180 4.995 4.886 5.155 . 0 0 "[ . 1 . 2]" 2
104 1 17 GLU H 1 18 CYS HA . . 5.130 4.836 4.603 5.094 . 0 0 "[ . 1 . 2]" 2
105 1 15 CYS HA 1 17 GLU H . . 3.920 3.542 3.287 3.773 . 0 0 "[ . 1 . 2]" 2
106 1 16 HIS QB 1 17 GLU H . . 3.960 3.944 3.803 4.038 0.078 18 0 "[ . 1 . 2]" 2
107 1 17 GLU H 1 17 GLU HG3 . . 3.840 2.730 2.307 3.019 . 0 0 "[ . 1 . 2]" 2
108 1 17 GLU H 1 17 GLU HG2 . . 3.740 3.459 3.025 3.746 0.006 18 0 "[ . 1 . 2]" 2
109 1 15 CYS HB3 1 17 GLU H . . 4.290 3.316 3.085 3.641 . 0 0 "[ . 1 . 2]" 2
110 1 15 CYS HB2 1 17 GLU H . . 4.500 4.322 4.246 4.410 . 0 0 "[ . 1 . 2]" 2
111 1 17 GLU H 1 17 GLU QB . . 2.850 2.566 2.436 2.673 . 0 0 "[ . 1 . 2]" 2
112 1 22 PHE QD 1 31 HIS H . . 5.350 5.124 4.991 5.209 . 0 0 "[ . 1 . 2]" 2
113 1 31 HIS H 1 33 ARG HG2 . . 5.050 4.282 4.149 4.717 . 0 0 "[ . 1 . 2]" 2
114 1 31 HIS H 1 32 GLN H . . 3.250 2.612 2.534 2.695 . 0 0 "[ . 1 . 2]" 2
115 1 22 PHE HZ 1 31 HIS H . . 4.530 4.448 4.351 4.521 . 0 0 "[ . 1 . 2]" 2
116 1 31 HIS H 1 31 HIS HB3 . . 2.900 2.349 2.328 2.375 . 0 0 "[ . 1 . 2]" 2
117 1 28 LEU MD1 1 31 HIS H . . 4.130 3.871 3.769 3.930 . 0 0 "[ . 1 . 2]" 2
118 1 29 ILE H 1 31 HIS H . . 4.310 4.157 4.099 4.222 . 0 0 "[ . 1 . 2]" 2
119 1 31 HIS H 1 33 ARG H . . 4.600 3.953 3.885 4.046 . 0 0 "[ . 1 . 2]" 2
120 1 31 HIS H 1 31 HIS HD2 . . 4.990 4.866 4.822 4.924 . 0 0 "[ . 1 . 2]" 2
121 1 22 PHE QE 1 31 HIS H . . 4.210 4.056 3.872 4.197 . 0 0 "[ . 1 . 2]" 2
122 1 27 GLN HA 1 27 GLN HE21 . . 5.030 4.919 4.751 5.041 0.011 13 0 "[ . 1 . 2]" 2
123 1 28 LEU HA 1 31 HIS H . . 3.630 3.471 3.446 3.493 . 0 0 "[ . 1 . 2]" 2
124 1 31 HIS H 1 31 HIS HB2 . . 2.940 2.770 2.735 2.810 . 0 0 "[ . 1 . 2]" 2
125 1 31 HIS H 1 32 GLN HB2 . . 5.020 4.778 4.677 4.848 . 0 0 "[ . 1 . 2]" 2
126 1 27 GLN HE21 1 27 GLN HG2 . . 3.530 2.604 2.353 2.792 . 0 0 "[ . 1 . 2]" 2
127 1 27 GLN HE22 1 27 GLN HG2 . . 3.880 3.637 3.530 3.720 . 0 0 "[ . 1 . 2]" 2
128 1 29 ILE HB 1 31 HIS H . . 5.160 4.924 4.870 4.992 . 0 0 "[ . 1 . 2]" 2
129 1 24 ARG HG3 1 27 GLN HE21 . . 4.350 2.353 1.940 2.876 . 0 0 "[ . 1 . 2]" 2
130 1 24 ARG HG3 1 27 GLN HE22 . . 4.350 3.071 2.774 3.365 . 0 0 "[ . 1 . 2]" 2
131 1 28 LEU HG 1 31 HIS H . . 5.200 5.147 5.033 5.210 0.010 7 0 "[ . 1 . 2]" 2
132 1 27 GLN HE22 1 27 GLN HG3 . . 3.940 3.591 3.520 3.707 . 0 0 "[ . 1 . 2]" 2
133 1 24 ARG HB2 1 27 GLN HE22 . . 4.990 4.885 4.679 5.000 0.010 14 0 "[ . 1 . 2]" 2
134 1 34 THR H 1 35 HIS HD2 . . 4.860 4.781 4.692 4.870 0.010 12 0 "[ . 1 . 2]" 2
135 1 37 GLY QA 1 38 GLU H . . 3.430 2.349 2.110 2.885 . 0 0 "[ . 1 . 2]" 2
136 1 34 THR H 1 35 HIS HB2 . . 4.850 4.718 4.613 4.821 . 0 0 "[ . 1 . 2]" 2
137 1 24 ARG HB2 1 27 GLN HE21 . . 4.960 3.801 3.528 4.218 . 0 0 "[ . 1 . 2]" 2
138 1 29 ILE MG 1 31 HIS H . . 4.880 4.507 4.423 4.564 . 0 0 "[ . 1 . 2]" 2
139 1 32 GLN H 1 34 THR H . . 4.770 4.502 4.412 4.603 . 0 0 "[ . 1 . 2]" 2
140 1 32 GLN H 1 35 HIS HD2 . . 4.880 4.637 4.516 4.774 . 0 0 "[ . 1 . 2]" 2
141 1 31 HIS HA 1 34 THR H . . 4.170 3.741 3.633 3.833 . 0 0 "[ . 1 . 2]" 2
142 1 32 GLN HA 1 34 THR H . . 4.150 3.902 3.787 4.104 . 0 0 "[ . 1 . 2]" 2
143 1 33 ARG QB 1 34 THR H . . 3.480 2.641 2.466 2.792 . 0 0 "[ . 1 . 2]" 2
144 1 34 THR H 1 36 ALA MB . . 4.840 4.664 4.531 4.800 . 0 0 "[ . 1 . 2]" 2
145 1 34 THR H 1 34 THR MG . . 3.060 1.888 1.865 1.965 . 0 0 "[ . 1 . 2]" 2
146 1 32 GLN H 1 34 THR MG . . 5.160 5.000 4.890 5.100 . 0 0 "[ . 1 . 2]" 2
147 1 31 HIS HD2 1 32 GLN H . . 3.910 3.426 3.273 3.569 . 0 0 "[ . 1 . 2]" 2
148 1 30 SER HA 1 32 GLN H . . 4.940 4.761 4.692 4.877 . 0 0 "[ . 1 . 2]" 2
149 1 31 HIS HB3 1 32 GLN H . . 3.500 2.498 2.419 2.554 . 0 0 "[ . 1 . 2]" 2
150 1 32 GLN H 1 32 GLN HG3 . . 3.060 2.139 2.080 2.220 . 0 0 "[ . 1 . 2]" 2
151 1 32 GLN H 1 32 GLN HB2 . . 3.190 2.650 2.588 2.696 . 0 0 "[ . 1 . 2]" 2
152 1 28 LEU HG 1 32 GLN H . . 4.520 4.414 4.225 4.490 . 0 0 "[ . 1 . 2]" 2
153 1 28 LEU MD1 1 32 GLN H . . 4.000 2.957 2.854 3.178 . 0 0 "[ . 1 . 2]" 2
154 1 29 ILE H 1 32 GLN H . . 5.020 4.838 4.777 4.874 . 0 0 "[ . 1 . 2]" 2
155 1 22 PHE QE 1 32 GLN H . . 5.150 5.065 4.963 5.133 . 0 0 "[ . 1 . 2]" 2
156 1 32 GLN H 1 33 ARG HG2 . . 4.300 4.079 3.960 4.312 0.012 12 0 "[ . 1 . 2]" 2
157 1 10 GLU H 1 10 GLU HB2 . . 3.970 2.755 2.267 3.878 . 0 0 "[ . 1 . 2]" 2
158 1 10 GLU H 1 10 GLU HB3 . . 3.970 3.102 2.471 3.978 0.008 6 0 "[ . 1 . 2]" 2
159 1 10 GLU H 1 10 GLU QG . . 4.040 3.283 2.003 4.094 0.054 3 0 "[ . 1 . 2]" 2
160 1 26 TYR H 1 27 GLN H . . 4.210 2.766 2.713 2.833 . 0 0 "[ . 1 . 2]" 2
161 1 26 TYR HB3 1 27 GLN H . . 4.460 3.546 3.471 3.581 . 0 0 "[ . 1 . 2]" 2
162 1 26 TYR HB2 1 27 GLN H . . 4.060 3.995 3.950 4.030 . 0 0 "[ . 1 . 2]" 2
163 1 22 PHE HB2 1 27 GLN H . . 5.140 4.789 4.716 4.847 . 0 0 "[ . 1 . 2]" 2
164 1 27 GLN H 1 27 GLN HB2 . . 3.080 2.455 2.405 2.504 . 0 0 "[ . 1 . 2]" 2
165 1 27 GLN H 1 27 GLN HB3 . . 3.790 3.587 3.579 3.594 . 0 0 "[ . 1 . 2]" 2
166 1 27 GLN H 1 27 GLN HG3 . . 3.280 2.396 2.272 2.488 . 0 0 "[ . 1 . 2]" 2
167 1 24 ARG HB2 1 27 GLN H . . 3.730 2.461 2.414 2.499 . 0 0 "[ . 1 . 2]" 2
168 1 26 TYR QD 1 27 GLN H . . 3.870 2.523 2.299 2.650 . 0 0 "[ . 1 . 2]" 2
169 1 22 PHE HB3 1 27 GLN H . . 4.640 4.411 4.355 4.497 . 0 0 "[ . 1 . 2]" 2
170 1 27 GLN H 1 28 LEU HA . . 5.360 5.357 5.336 5.387 0.027 12 0 "[ . 1 . 2]" 2
171 1 27 GLN H 1 28 LEU HB3 . . 4.860 4.756 4.716 4.817 . 0 0 "[ . 1 . 2]" 2
172 1 27 GLN H 1 28 LEU HB2 . . 5.500 5.525 5.501 5.542 0.042 10 0 "[ . 1 . 2]" 2
173 1 27 GLN H 1 29 ILE H . . 4.510 4.402 4.340 4.468 . 0 0 "[ . 1 . 2]" 2
174 1 22 PHE QD 1 29 ILE H . . 5.500 5.499 5.446 5.519 0.019 3 0 "[ . 1 . 2]" 2
175 1 28 LEU H 1 29 ILE H . . 3.240 2.402 2.354 2.438 . 0 0 "[ . 1 . 2]" 2
176 1 26 TYR HA 1 29 ILE H . . 3.610 3.106 3.051 3.151 . 0 0 "[ . 1 . 2]" 2
177 1 29 ILE H 1 32 GLN HG3 . . 4.370 4.251 4.160 4.311 . 0 0 "[ . 1 . 2]" 2
178 1 27 GLN HB2 1 29 ILE H . . 5.390 5.315 5.268 5.367 . 0 0 "[ . 1 . 2]" 2
179 1 28 LEU HB3 1 29 ILE H . . 3.380 2.640 2.569 2.716 . 0 0 "[ . 1 . 2]" 2
180 1 29 ILE H 1 29 ILE HB . . 2.980 2.360 2.331 2.386 . 0 0 "[ . 1 . 2]" 2
181 1 28 LEU HG 1 29 ILE H . . 3.240 3.093 2.997 3.170 . 0 0 "[ . 1 . 2]" 2
182 1 29 ILE H 1 29 ILE HG13 . . 3.560 3.444 3.320 3.557 . 0 0 "[ . 1 . 2]" 2
183 1 10 GLU H 1 11 ASN H . . 4.700 3.530 2.304 4.509 . 0 0 "[ . 1 . 2]" 2
184 1 10 GLU HB2 1 11 ASN H . . 4.840 4.267 2.231 4.663 . 0 0 "[ . 1 . 2]" 2
185 1 10 GLU HB3 1 11 ASN H . . 4.840 4.123 2.786 4.474 . 0 0 "[ . 1 . 2]" 2
186 1 10 GLU HA 1 11 ASN H . . 3.460 2.626 2.143 3.510 0.050 16 0 "[ . 1 . 2]" 2
187 1 11 ASN H 1 12 PRO QD . . 4.370 3.571 3.246 4.182 . 0 0 "[ . 1 . 2]" 2
188 1 13 TYR H 1 22 PHE H . . 3.700 3.340 3.253 3.487 . 0 0 "[ . 1 . 2]" 2
189 1 13 TYR H 1 13 TYR QD . . 3.200 2.808 2.557 2.925 . 0 0 "[ . 1 . 2]" 2
190 1 13 TYR H 1 13 TYR QE . . 4.710 4.658 4.523 4.714 0.004 11 0 "[ . 1 . 2]" 2
191 1 13 TYR H 1 21 ALA HA . . 5.120 4.752 4.688 4.899 . 0 0 "[ . 1 . 2]" 2
192 1 12 PRO HA 1 13 TYR H . . 3.540 3.360 3.354 3.396 . 0 0 "[ . 1 . 2]" 2
193 1 12 PRO QD 1 13 TYR H . . 3.310 2.827 2.762 2.839 . 0 0 "[ . 1 . 2]" 2
194 1 13 TYR H 1 13 TYR HB3 . . 3.820 3.796 3.752 3.826 0.006 11 0 "[ . 1 . 2]" 2
195 1 13 TYR H 1 13 TYR HB2 . . 3.130 2.716 2.647 2.765 . 0 0 "[ . 1 . 2]" 2
196 1 13 TYR H 1 14 GLU HG3 . . 5.170 4.318 4.206 4.420 . 0 0 "[ . 1 . 2]" 2
197 1 12 PRO HG3 1 13 TYR H . . 4.470 4.458 4.357 4.476 0.006 5 0 "[ . 1 . 2]" 2
198 1 12 PRO HG2 1 13 TYR H . . 3.790 3.137 3.005 3.162 . 0 0 "[ . 1 . 2]" 2
199 1 12 PRO HB2 1 13 TYR H . . 3.870 3.851 3.774 3.865 . 0 0 "[ . 1 . 2]" 2
200 1 34 THR H 1 35 HIS H . . 3.150 2.656 2.539 2.737 . 0 0 "[ . 1 . 2]" 2
201 1 35 HIS H 1 35 HIS HD2 . . 3.870 3.226 3.103 3.444 . 0 0 "[ . 1 . 2]" 2
202 1 34 THR HB 1 35 HIS H . . 4.100 3.912 3.817 4.108 0.008 6 0 "[ . 1 . 2]" 2
203 1 32 GLN HA 1 35 HIS H . . 3.910 3.226 3.159 3.347 . 0 0 "[ . 1 . 2]" 2
204 1 35 HIS H 1 35 HIS HB3 . . 3.770 3.566 3.544 3.582 . 0 0 "[ . 1 . 2]" 2
205 1 35 HIS H 1 35 HIS HB2 . . 3.120 2.316 2.265 2.363 . 0 0 "[ . 1 . 2]" 2
206 1 32 GLN HB3 1 35 HIS H . . 4.940 4.624 4.552 4.714 . 0 0 "[ . 1 . 2]" 2
207 1 33 ARG QB 1 35 HIS H . . 4.770 4.675 4.523 4.766 . 0 0 "[ . 1 . 2]" 2
208 1 35 HIS H 1 36 ALA MB . . 4.080 4.049 3.843 4.087 0.007 12 0 "[ . 1 . 2]" 2
209 1 34 THR MG 1 35 HIS H . . 3.980 3.757 3.699 3.835 . 0 0 "[ . 1 . 2]" 2
210 1 33 ARG H 1 34 THR H . . 3.200 2.826 2.687 2.968 . 0 0 "[ . 1 . 2]" 2
211 1 33 ARG H 1 35 HIS H . . 4.640 4.277 4.133 4.386 . 0 0 "[ . 1 . 2]" 2
212 1 32 GLN HB3 1 33 ARG H . . 3.980 3.919 3.808 3.984 0.004 14 0 "[ . 1 . 2]" 2
213 1 33 ARG H 1 33 ARG HG2 . . 2.750 1.897 1.873 1.961 . 0 0 "[ . 1 . 2]" 2
214 1 33 ARG H 1 33 ARG HG3 . . 3.580 3.406 3.227 3.489 . 0 0 "[ . 1 . 2]" 2
215 1 32 GLN H 1 33 ARG H . . 3.320 2.810 2.766 2.852 . 0 0 "[ . 1 . 2]" 2
216 1 31 HIS HB3 1 33 ARG H . . 5.420 4.817 4.722 4.922 . 0 0 "[ . 1 . 2]" 2
217 1 33 ARG H 1 35 HIS HB2 . . 5.500 5.327 5.151 5.452 . 0 0 "[ . 1 . 2]" 2
218 1 32 GLN HG3 1 33 ARG H . . 4.600 4.300 4.230 4.442 . 0 0 "[ . 1 . 2]" 2
219 1 32 GLN HB2 1 33 ARG H . . 3.740 2.872 2.711 3.019 . 0 0 "[ . 1 . 2]" 2
220 1 33 ARG H 1 36 ALA MB . . 4.960 4.671 4.445 4.920 . 0 0 "[ . 1 . 2]" 2
221 1 33 ARG H 1 34 THR MG . . 4.230 4.007 3.780 4.175 . 0 0 "[ . 1 . 2]" 2
222 1 36 ALA MB 1 37 GLY H . . 4.310 2.981 2.532 3.633 . 0 0 "[ . 1 . 2]" 2
223 1 15 CYS H 1 22 PHE H . . 5.370 5.173 5.047 5.285 . 0 0 "[ . 1 . 2]" 2
224 1 23 SER H 1 24 ARG H . . 3.850 2.628 2.562 2.737 . 0 0 "[ . 1 . 2]" 2
225 1 24 ARG H 1 25 LYS H . . 4.560 4.523 4.488 4.541 . 0 0 "[ . 1 . 2]" 2
226 1 22 PHE QD 1 24 ARG H . . 5.420 5.076 5.023 5.121 . 0 0 "[ . 1 . 2]" 2
227 1 24 ARG H 1 26 TYR QD . . 5.500 4.748 4.645 4.877 . 0 0 "[ . 1 . 2]" 2
228 1 13 TYR QD 1 24 ARG H . . 4.160 3.866 3.742 4.110 . 0 0 "[ . 1 . 2]" 2
229 1 24 ARG H 1 27 GLN HE22 . . 4.570 3.893 3.676 4.107 . 0 0 "[ . 1 . 2]" 2
230 1 24 ARG H 1 26 TYR QE . . 4.540 4.461 4.358 4.548 0.008 19 0 "[ . 1 . 2]" 2
231 1 24 ARG H 1 27 GLN H . . 4.100 3.960 3.872 4.051 . 0 0 "[ . 1 . 2]" 2
232 1 23 SER QB 1 24 ARG H . . 3.490 2.376 2.322 2.543 . 0 0 "[ . 1 . 2]" 2
233 1 22 PHE HB3 1 24 ARG H . . 3.370 3.333 3.271 3.372 0.002 12 0 "[ . 1 . 2]" 2
234 1 24 ARG H 1 24 ARG HD3 . . 5.010 4.804 4.682 4.917 . 0 0 "[ . 1 . 2]" 2
235 1 22 PHE HB2 1 24 ARG H . . 4.040 3.930 3.848 3.981 . 0 0 "[ . 1 . 2]" 2
236 1 24 ARG H 1 27 GLN HB2 . . 3.480 2.523 2.456 2.628 . 0 0 "[ . 1 . 2]" 2
237 1 24 ARG H 1 24 ARG HG3 . . 3.110 2.522 2.414 2.604 . 0 0 "[ . 1 . 2]" 2
238 1 24 ARG H 1 27 GLN HG3 . . 4.000 2.755 2.541 2.901 . 0 0 "[ . 1 . 2]" 2
239 1 24 ARG H 1 24 ARG HB2 . . 3.290 2.785 2.762 2.808 . 0 0 "[ . 1 . 2]" 2
240 1 21 ALA H 1 22 PHE H . . 4.450 4.370 4.346 4.388 . 0 0 "[ . 1 . 2]" 2
241 1 22 PHE H 1 22 PHE QD . . 3.170 2.459 2.306 2.555 . 0 0 "[ . 1 . 2]" 2
242 1 13 TYR QD 1 22 PHE H . . 5.080 4.449 4.299 4.548 . 0 0 "[ . 1 . 2]" 2
243 1 21 ALA HA 1 22 PHE H . . 2.820 2.237 2.207 2.266 . 0 0 "[ . 1 . 2]" 2
244 1 24 ARG H 1 27 GLN HA . . 5.470 5.232 5.164 5.332 . 0 0 "[ . 1 . 2]" 2
245 1 22 PHE H 1 22 PHE HB3 . . 3.910 3.906 3.886 3.937 0.027 18 0 "[ . 1 . 2]" 2
246 1 22 PHE H 1 28 LEU HA . . 5.500 5.516 5.504 5.529 0.029 15 0 "[ . 1 . 2]" 2
247 1 13 TYR HB2 1 24 ARG H . . 4.740 4.737 4.675 4.755 0.015 15 0 "[ . 1 . 2]" 2
248 1 13 TYR HB2 1 22 PHE H . . 3.870 3.110 2.915 3.209 . 0 0 "[ . 1 . 2]" 2
249 1 22 PHE H 1 22 PHE HB2 . . 3.370 2.899 2.870 2.953 . 0 0 "[ . 1 . 2]" 2
250 1 14 GLU HG3 1 22 PHE H . . 4.510 3.645 3.568 3.756 . 0 0 "[ . 1 . 2]" 2
251 1 21 ALA MB 1 22 PHE H . . 3.150 2.840 2.783 2.899 . 0 0 "[ . 1 . 2]" 2
252 1 25 LYS H 1 25 LYS HG2 . . 5.240 4.573 4.535 4.603 . 0 0 "[ . 1 . 2]" 2
253 1 25 LYS H 1 25 LYS HB3 . . 4.120 2.438 2.371 2.536 . 0 0 "[ . 1 . 2]" 2
254 1 25 LYS H 1 25 LYS HB2 . . 4.120 2.620 2.507 2.709 . 0 0 "[ . 1 . 2]" 2
255 1 15 CYS H 1 21 ALA H . . 4.760 4.513 4.391 4.595 . 0 0 "[ . 1 . 2]" 2
256 1 15 CYS H 1 31 HIS HD2 . . 5.200 5.155 4.989 5.210 0.010 12 0 "[ . 1 . 2]" 2
257 1 15 CYS H 1 20 LYS H . . 4.110 3.072 2.944 3.228 . 0 0 "[ . 1 . 2]" 2
258 1 22 PHE QD 1 23 SER H . . 4.990 4.227 4.158 4.346 . 0 0 "[ . 1 . 2]" 2
259 1 15 CYS H 1 22 PHE QD . . 4.210 3.843 3.651 3.950 . 0 0 "[ . 1 . 2]" 2
260 1 15 CYS H 1 21 ALA HA . . 3.520 3.521 3.472 3.541 0.021 16 0 "[ . 1 . 2]" 2
261 1 22 PHE HB3 1 23 SER H . . 4.590 2.661 2.570 2.874 . 0 0 "[ . 1 . 2]" 2
262 1 15 CYS H 1 15 CYS HB3 . . 3.140 2.607 2.527 2.684 . 0 0 "[ . 1 . 2]" 2
263 1 15 CYS H 1 15 CYS HB2 . . 3.220 2.502 2.397 2.577 . 0 0 "[ . 1 . 2]" 2
264 1 23 SER H 1 27 GLN HB2 . . 4.850 3.534 3.394 3.773 . 0 0 "[ . 1 . 2]" 2
265 1 14 GLU HG3 1 15 CYS H . . 4.430 4.224 4.185 4.286 . 0 0 "[ . 1 . 2]" 2
266 1 14 GLU QB 1 15 CYS H . . 3.470 2.945 2.846 3.075 . 0 0 "[ . 1 . 2]" 2
267 1 15 CYS H 1 20 LYS HB3 . . 3.750 3.140 3.051 3.287 . 0 0 "[ . 1 . 2]" 2
268 1 15 CYS H 1 28 LEU MD1 . . 3.680 3.138 2.871 3.244 . 0 0 "[ . 1 . 2]" 2
269 1 15 CYS H 1 22 PHE QE . . 4.120 2.976 2.696 3.130 . 0 0 "[ . 1 . 2]" 2
270 1 22 PHE HB2 1 23 SER H . . 4.830 3.617 3.512 3.786 . 0 0 "[ . 1 . 2]" 2
271 1 20 LYS HB3 1 31 HIS HD2 . . 4.740 3.867 3.510 4.081 . 0 0 "[ . 1 . 2]" 2
272 1 22 PHE QE 1 31 HIS HD2 . . 3.830 3.653 3.519 3.772 . 0 0 "[ . 1 . 2]" 2
273 1 22 PHE HZ 1 31 HIS HD2 . . 4.710 3.202 2.878 3.409 . 0 0 "[ . 1 . 2]" 2
274 1 15 CYS HA 1 31 HIS HD2 . . 4.770 4.532 4.451 4.606 . 0 0 "[ . 1 . 2]" 2
275 1 15 CYS HB3 1 31 HIS HD2 . . 3.850 3.687 3.503 3.836 . 0 0 "[ . 1 . 2]" 2
276 1 31 HIS HB3 1 31 HIS HD2 . . 3.670 2.746 2.730 2.771 . 0 0 "[ . 1 . 2]" 2
277 1 35 HIS HB2 1 36 ALA MB . . 4.800 4.264 4.129 4.371 . 0 0 "[ . 1 . 2]" 2
278 1 15 CYS HB2 1 31 HIS HD2 . . 3.020 2.684 2.558 2.793 . 0 0 "[ . 1 . 2]" 2
279 1 31 HIS HD2 1 32 GLN HB2 . . 5.500 5.334 5.193 5.511 0.011 12 0 "[ . 1 . 2]" 2
280 1 31 HIS HD2 1 32 GLN HB3 . . 5.390 5.173 5.024 5.335 . 0 0 "[ . 1 . 2]" 2
281 1 20 LYS QD 1 31 HIS HD2 . . 4.830 3.853 3.568 4.120 . 0 0 "[ . 1 . 2]" 2
282 1 20 LYS HB2 1 31 HIS HD2 . . 4.780 4.223 4.022 4.423 . 0 0 "[ . 1 . 2]" 2
283 1 32 GLN HE21 1 35 HIS HD2 . . 5.220 4.866 4.758 4.943 . 0 0 "[ . 1 . 2]" 2
284 1 31 HIS HD2 1 35 HIS HD2 . . 4.090 3.269 3.147 3.421 . 0 0 "[ . 1 . 2]" 2
285 1 33 ARG HA 1 36 ALA MB . . 3.290 2.450 2.304 2.663 . 0 0 "[ . 1 . 2]" 2
286 1 32 GLN HA 1 35 HIS HD2 . . 3.170 2.219 2.149 2.353 . 0 0 "[ . 1 . 2]" 2
287 1 15 CYS HB3 1 19 GLY HA3 . . 5.240 4.829 4.713 4.911 . 0 0 "[ . 1 . 2]" 2
288 1 18 CYS HB2 1 19 GLY HA3 . . 5.500 4.641 4.566 4.714 . 0 0 "[ . 1 . 2]" 2
289 1 35 HIS HB3 1 35 HIS HD2 . . 3.860 3.772 3.746 3.791 . 0 0 "[ . 1 . 2]" 2
290 1 33 ARG QD 1 36 ALA MB . . 4.500 3.640 3.443 4.312 . 0 0 "[ . 1 . 2]" 2
291 1 35 HIS HB2 1 35 HIS HD2 . . 3.390 2.706 2.698 2.713 . 0 0 "[ . 1 . 2]" 2
292 1 15 CYS HB2 1 19 GLY HA2 . . 5.500 5.385 5.220 5.490 . 0 0 "[ . 1 . 2]" 2
293 1 32 GLN HG2 1 35 HIS HD2 . . 3.770 3.749 3.625 3.778 0.008 12 0 "[ . 1 . 2]" 2
294 1 32 GLN HB2 1 35 HIS HD2 . . 5.320 5.177 5.100 5.316 . 0 0 "[ . 1 . 2]" 2
295 1 32 GLN HB3 1 35 HIS HD2 . . 4.410 4.169 4.049 4.332 . 0 0 "[ . 1 . 2]" 2
296 1 33 ARG QB 1 36 ALA MB . . 3.960 3.860 3.743 3.966 0.006 16 0 "[ . 1 . 2]" 2
297 1 14 GLU HG2 1 19 GLY HA3 . . 5.500 5.504 5.463 5.511 0.011 11 0 "[ . 1 . 2]" 2
298 1 14 GLU HG2 1 19 GLY HA2 . . 4.660 4.536 4.488 4.587 . 0 0 "[ . 1 . 2]" 2
299 1 17 GLU HG3 1 35 HIS HD2 . . 4.560 3.978 3.723 4.171 . 0 0 "[ . 1 . 2]" 2
300 1 17 GLU QB 1 35 HIS HD2 . . 3.640 3.020 2.873 3.129 . 0 0 "[ . 1 . 2]" 2
301 1 28 LEU MD1 1 35 HIS HD2 . . 5.110 4.923 4.807 5.016 . 0 0 "[ . 1 . 2]" 2
302 1 37 GLY QA 1 38 GLU HA . . 4.150 3.985 3.930 4.128 . 0 0 "[ . 1 . 2]" 2
303 1 7 GLY QA 1 8 THR MG . . 4.320 3.677 3.170 4.159 . 0 0 "[ . 1 . 2]" 2
304 1 36 ALA MB 1 37 GLY QA . . 4.100 3.645 3.419 3.891 . 0 0 "[ . 1 . 2]" 2
305 1 42 GLY HA2 1 43 PRO QD . . 3.370 2.231 1.888 3.370 0.000 1 0 "[ . 1 . 2]" 2
306 1 42 GLY HA3 1 43 PRO QD . . 3.370 2.622 2.012 3.385 0.015 19 0 "[ . 1 . 2]" 2
307 1 29 ILE MG 1 32 GLN H . . 4.680 4.494 4.395 4.629 . 0 0 "[ . 1 . 2]" 2
308 1 29 ILE H 1 29 ILE MG . . 3.910 3.719 3.703 3.731 . 0 0 "[ . 1 . 2]" 2
309 1 29 ILE MG 1 33 ARG H . . 4.820 4.164 4.015 4.310 . 0 0 "[ . 1 . 2]" 2
310 1 28 LEU H 1 29 ILE MG . . 5.500 5.507 5.466 5.524 0.024 9 0 "[ . 1 . 2]" 2
311 1 29 ILE MG 1 30 SER HA . . 3.520 3.065 2.872 3.164 . 0 0 "[ . 1 . 2]" 2
312 1 29 ILE HA 1 29 ILE MG . . 2.950 2.535 2.507 2.598 . 0 0 "[ . 1 . 2]" 2
313 1 26 TYR HB2 1 29 ILE MG . . 4.560 4.547 4.483 4.580 0.020 15 0 "[ . 1 . 2]" 2
314 1 29 ILE MG 1 32 GLN HB2 . . 4.420 3.573 3.497 3.676 . 0 0 "[ . 1 . 2]" 2
315 1 29 ILE MG 1 32 GLN HB3 . . 5.300 5.027 4.945 5.098 . 0 0 "[ . 1 . 2]" 2
316 1 29 ILE MG 1 33 ARG HG2 . . 4.120 3.338 3.190 3.465 . 0 0 "[ . 1 . 2]" 2
317 1 29 ILE HG12 1 29 ILE MG . . 3.120 2.105 2.015 2.243 . 0 0 "[ . 1 . 2]" 2
318 1 29 ILE HG13 1 29 ILE MG . . 3.040 2.606 2.521 2.724 . 0 0 "[ . 1 . 2]" 2
319 1 26 TYR QD 1 29 ILE MG . . 5.220 5.031 4.942 5.105 . 0 0 "[ . 1 . 2]" 2
320 1 13 TYR H 1 22 PHE HB2 . . 4.740 4.591 4.424 4.746 0.006 15 0 "[ . 1 . 2]" 2
321 1 21 ALA HA 1 22 PHE HB2 . . 4.780 4.651 4.623 4.708 . 0 0 "[ . 1 . 2]" 2
322 1 13 TYR HB3 1 22 PHE HB2 . . 4.170 3.498 3.396 3.615 . 0 0 "[ . 1 . 2]" 2
323 1 13 TYR HB2 1 22 PHE HB3 . . 4.320 4.050 3.950 4.137 . 0 0 "[ . 1 . 2]" 2
324 1 13 TYR HB2 1 22 PHE HB2 . . 3.900 2.435 2.342 2.504 . 0 0 "[ . 1 . 2]" 2
325 1 22 PHE HB3 1 27 GLN HB2 . . 3.620 2.046 1.997 2.144 . 0 0 "[ . 1 . 2]" 2
326 1 22 PHE HB2 1 27 GLN HB2 . . 3.840 2.898 2.841 2.981 . 0 0 "[ . 1 . 2]" 2
327 1 22 PHE HB3 1 28 LEU HB3 . . 5.140 4.825 4.770 4.935 . 0 0 "[ . 1 . 2]" 2
328 1 22 PHE HB2 1 28 LEU HB3 . . 4.630 3.641 3.536 3.788 . 0 0 "[ . 1 . 2]" 2
329 1 22 PHE HB3 1 27 GLN HB3 . . 3.880 2.047 1.998 2.120 . 0 0 "[ . 1 . 2]" 2
330 1 22 PHE HB2 1 27 GLN HB3 . . 4.100 3.575 3.488 3.659 . 0 0 "[ . 1 . 2]" 2
331 1 22 PHE HB2 1 27 GLN HG3 . . 5.440 5.154 5.073 5.242 . 0 0 "[ . 1 . 2]" 2
332 1 22 PHE HB3 1 27 GLN HG3 . . 4.480 4.125 4.020 4.222 . 0 0 "[ . 1 . 2]" 2
333 1 22 PHE HB2 1 28 LEU HB2 . . 4.340 2.650 2.601 2.741 . 0 0 "[ . 1 . 2]" 2
334 1 21 ALA MB 1 22 PHE HB2 . . 5.230 5.168 5.133 5.229 . 0 0 "[ . 1 . 2]" 2
335 1 33 ARG H 1 33 ARG QD . . 3.880 3.207 2.662 3.986 0.106 12 0 "[ . 1 . 2]" 2
336 1 33 ARG HA 1 33 ARG QD . . 3.210 2.200 1.963 2.999 . 0 0 "[ . 1 . 2]" 2
337 1 13 TYR HB3 1 22 PHE HB3 . . 5.310 5.191 5.085 5.303 . 0 0 "[ . 1 . 2]" 2
338 1 33 ARG QB 1 33 ARG QD . . 2.890 2.356 2.066 2.563 . 0 0 "[ . 1 . 2]" 2
339 1 22 PHE HB3 1 28 LEU HB2 . . 4.590 3.996 3.914 4.044 . 0 0 "[ . 1 . 2]" 2
340 1 22 PHE HB3 1 28 LEU MD2 . . 5.500 5.520 5.502 5.538 0.038 14 0 "[ . 1 . 2]" 2
341 1 22 PHE HB3 1 28 LEU MD1 . . 5.500 5.200 5.137 5.242 . 0 0 "[ . 1 . 2]" 2
342 1 29 ILE MG 1 33 ARG QD . . 4.170 3.024 2.563 3.780 . 0 0 "[ . 1 . 2]" 2
343 1 24 ARG H 1 24 ARG HD2 . . 5.010 4.714 4.564 4.822 . 0 0 "[ . 1 . 2]" 2
344 1 24 ARG HD3 1 26 TYR QD . . 4.670 3.203 2.721 3.675 . 0 0 "[ . 1 . 2]" 2
345 1 23 SER QB 1 24 ARG HD2 . . 5.280 4.626 4.302 4.963 . 0 0 "[ . 1 . 2]" 2
346 1 24 ARG HB3 1 24 ARG HD2 . . 4.060 3.271 2.916 3.587 . 0 0 "[ . 1 . 2]" 2
347 1 24 ARG HB2 1 24 ARG HD2 . . 3.880 3.330 2.848 3.844 . 0 0 "[ . 1 . 2]" 2
348 1 24 ARG HB2 1 24 ARG HD3 . . 3.880 2.943 2.719 3.199 . 0 0 "[ . 1 . 2]" 2
349 1 34 THR H 1 34 THR HB . . 3.660 3.609 3.600 3.618 . 0 0 "[ . 1 . 2]" 2
350 1 20 LYS HE2 1 31 HIS HE1 . . 4.700 3.660 2.886 4.712 0.012 16 0 "[ . 1 . 2]" 2
351 1 20 LYS HE3 1 31 HIS HE1 . . 4.700 3.645 2.011 4.714 0.014 13 0 "[ . 1 . 2]" 2
352 1 20 LYS HE2 1 22 PHE QE . . 5.110 4.837 2.815 5.123 0.013 14 0 "[ . 1 . 2]" 2
353 1 20 LYS HE3 1 22 PHE QE . . 5.110 4.859 4.398 5.129 0.019 16 0 "[ . 1 . 2]" 2
354 1 20 LYS HE2 1 22 PHE HZ . . 5.130 4.535 2.860 4.935 . 0 0 "[ . 1 . 2]" 2
355 1 20 LYS HE3 1 22 PHE HZ . . 5.130 4.507 4.229 4.918 . 0 0 "[ . 1 . 2]" 2
356 1 20 LYS HA 1 20 LYS HE3 . . 5.500 4.881 3.969 5.501 0.001 14 0 "[ . 1 . 2]" 2
357 1 20 LYS HA 1 20 LYS HE2 . . 5.500 4.698 3.448 5.541 0.041 19 0 "[ . 1 . 2]" 2
358 1 25 LYS HE2 1 29 ILE MD . . 3.810 2.586 1.795 3.668 . 0 0 "[ . 1 . 2]" 2
359 1 28 LEU HB2 1 29 ILE H . . 4.120 3.982 3.939 4.030 . 0 0 "[ . 1 . 2]" 2
360 1 22 PHE QD 1 28 LEU HB3 . . 4.220 4.027 3.939 4.120 . 0 0 "[ . 1 . 2]" 2
361 1 25 LYS HA 1 28 LEU HB3 . . 3.660 3.220 3.139 3.280 . 0 0 "[ . 1 . 2]" 2
362 1 13 TYR HB2 1 28 LEU HB2 . . 3.850 3.224 3.092 3.311 . 0 0 "[ . 1 . 2]" 2
363 1 28 LEU HB3 1 28 LEU MD2 . . 3.160 2.403 2.328 2.490 . 0 0 "[ . 1 . 2]" 2
364 1 13 TYR QD 1 28 LEU HB2 . . 4.950 4.649 4.574 4.706 . 0 0 "[ . 1 . 2]" 2
365 1 11 ASN HB3 1 12 PRO QD . . 4.380 3.773 3.247 4.090 . 0 0 "[ . 1 . 2]" 2
366 1 29 ILE H 1 29 ILE MD . . 3.620 1.980 1.859 2.144 . 0 0 "[ . 1 . 2]" 2
367 1 29 ILE MD 1 30 SER H . . 4.150 4.004 3.963 4.089 . 0 0 "[ . 1 . 2]" 2
368 1 28 LEU H 1 29 ILE MD . . 4.660 3.394 3.304 3.550 . 0 0 "[ . 1 . 2]" 2
369 1 26 TYR HA 1 29 ILE MD . . 3.390 2.138 1.981 2.413 . 0 0 "[ . 1 . 2]" 2
370 1 29 ILE HA 1 29 ILE MD . . 3.300 2.889 2.721 3.144 . 0 0 "[ . 1 . 2]" 2
371 1 26 TYR HB3 1 29 ILE MD . . 4.340 4.273 4.148 4.347 0.007 7 0 "[ . 1 . 2]" 2
372 1 25 LYS HE3 1 29 ILE MD . . 3.810 2.634 1.910 3.506 . 0 0 "[ . 1 . 2]" 2
373 1 29 ILE MD 1 32 GLN HB2 . . 5.500 5.274 5.117 5.505 0.005 14 0 "[ . 1 . 2]" 2
374 1 28 LEU HB3 1 29 ILE MD . . 4.530 2.869 2.724 3.189 . 0 0 "[ . 1 . 2]" 2
375 1 29 ILE HB 1 29 ILE MD . . 3.160 2.245 2.086 2.318 . 0 0 "[ . 1 . 2]" 2
376 1 25 LYS HG3 1 29 ILE MD . . 2.880 1.825 1.782 1.961 . 0 0 "[ . 1 . 2]" 2
377 1 25 LYS HG2 1 29 ILE MD . . 3.520 2.939 2.841 3.077 . 0 0 "[ . 1 . 2]" 2
378 1 28 LEU MD2 1 29 ILE MD . . 4.000 3.391 3.259 3.493 . 0 0 "[ . 1 . 2]" 2
379 1 29 ILE MD 1 29 ILE MG . . 3.280 3.202 3.136 3.235 . 0 0 "[ . 1 . 2]" 2
380 1 16 HIS HA 1 16 HIS HD2 . . 4.270 4.148 3.950 4.279 0.009 4 0 "[ . 1 . 2]" 2
381 1 16 HIS HD2 1 17 GLU HA . . 4.950 3.534 2.648 4.530 . 0 0 "[ . 1 . 2]" 2
382 1 16 HIS QB 1 16 HIS HD2 . . 3.540 3.085 2.970 3.265 . 0 0 "[ . 1 . 2]" 2
383 1 16 HIS HD2 1 17 GLU HG3 . . 4.270 2.613 2.025 2.975 . 0 0 "[ . 1 . 2]" 2
384 1 13 TYR HB3 1 22 PHE H . . 4.510 4.378 4.196 4.496 . 0 0 "[ . 1 . 2]" 2
385 1 13 TYR HB2 1 14 GLU H . . 4.400 4.358 4.302 4.385 . 0 0 "[ . 1 . 2]" 2
386 1 13 TYR HB3 1 22 PHE QD . . 4.580 3.979 3.846 4.066 . 0 0 "[ . 1 . 2]" 2
387 1 13 TYR HB3 1 28 LEU H . . 4.790 4.361 4.292 4.458 . 0 0 "[ . 1 . 2]" 2
388 1 13 TYR HB2 1 28 LEU H . . 4.760 4.554 4.436 4.707 . 0 0 "[ . 1 . 2]" 2
389 1 13 TYR HB3 1 28 LEU HA . . 5.120 5.052 4.981 5.124 0.004 9 0 "[ . 1 . 2]" 2
390 1 13 TYR HB2 1 28 LEU HA . . 5.500 5.221 5.104 5.311 . 0 0 "[ . 1 . 2]" 2
391 1 13 TYR HB2 1 28 LEU HB3 . . 4.240 3.789 3.597 3.940 . 0 0 "[ . 1 . 2]" 2
392 1 12 PRO HG2 1 13 TYR HB2 . . 4.580 4.322 4.248 4.406 . 0 0 "[ . 1 . 2]" 2
393 1 13 TYR HB3 1 28 LEU HG . . 4.660 4.425 4.315 4.587 . 0 0 "[ . 1 . 2]" 2
394 1 13 TYR HB3 1 28 LEU HB2 . . 3.890 2.811 2.750 2.870 . 0 0 "[ . 1 . 2]" 2
395 1 13 TYR HB3 1 28 LEU HB3 . . 4.080 2.855 2.775 2.948 . 0 0 "[ . 1 . 2]" 2
396 1 13 TYR QE 1 25 LYS H . . 4.590 3.333 3.092 3.497 . 0 0 "[ . 1 . 2]" 2
397 1 13 TYR QE 1 24 ARG H . . 4.810 4.625 4.517 4.805 . 0 0 "[ . 1 . 2]" 2
398 1 26 TYR QE 1 27 GLN HE21 . . 4.780 2.550 2.414 2.835 . 0 0 "[ . 1 . 2]" 2
399 1 26 TYR QE 1 27 GLN HE22 . . 4.360 4.164 3.978 4.290 . 0 0 "[ . 1 . 2]" 2
400 1 26 TYR QE 1 27 GLN H . . 4.830 3.619 3.525 3.707 . 0 0 "[ . 1 . 2]" 2
401 1 13 TYR HA 1 13 TYR QE . . 5.370 4.720 4.702 4.747 . 0 0 "[ . 1 . 2]" 2
402 1 13 TYR QE 1 23 SER HA . . 5.500 4.665 4.514 4.822 . 0 0 "[ . 1 . 2]" 2
403 1 23 SER QB 1 26 TYR QE . . 5.300 5.100 4.973 5.247 . 0 0 "[ . 1 . 2]" 2
404 1 26 TYR QE 1 27 GLN HA . . 4.240 3.690 3.601 3.789 . 0 0 "[ . 1 . 2]" 2
405 1 12 PRO QD 1 13 TYR QE . . 3.990 3.774 3.557 3.894 . 0 0 "[ . 1 . 2]" 2
406 1 24 ARG HD2 1 26 TYR QE . . 3.870 2.403 1.991 3.086 . 0 0 "[ . 1 . 2]" 2
407 1 13 TYR QE 1 25 LYS HA . . 3.550 3.376 3.269 3.510 . 0 0 "[ . 1 . 2]" 2
408 1 26 TYR QE 1 27 GLN HG2 . . 3.740 2.882 2.600 3.021 . 0 0 "[ . 1 . 2]" 2
409 1 12 PRO HB3 1 13 TYR QE . . 4.940 4.926 4.792 4.943 0.003 2 0 "[ . 1 . 2]" 2
410 1 12 PRO HG3 1 13 TYR QE . . 4.050 3.340 3.253 3.396 . 0 0 "[ . 1 . 2]" 2
411 1 24 ARG HG3 1 26 TYR QE . . 3.300 2.627 2.531 2.806 . 0 0 "[ . 1 . 2]" 2
412 1 12 PRO HG2 1 13 TYR QE . . 3.780 2.370 2.268 2.433 . 0 0 "[ . 1 . 2]" 2
413 1 26 TYR QE 1 27 GLN HG3 . . 3.830 2.334 2.110 2.457 . 0 0 "[ . 1 . 2]" 2
414 1 24 ARG HB2 1 26 TYR QE . . 3.820 2.634 2.474 2.787 . 0 0 "[ . 1 . 2]" 2
415 1 13 TYR QE 1 25 LYS HG2 . . 4.200 4.083 3.783 4.207 0.007 13 0 "[ . 1 . 2]" 2
416 1 29 ILE HA 1 32 GLN H . . 3.980 3.360 3.272 3.435 . 0 0 "[ . 1 . 2]" 2
417 1 28 LEU H 1 29 ILE HA . . 5.290 5.031 4.995 5.058 . 0 0 "[ . 1 . 2]" 2
418 1 13 TYR QE 1 23 SER QB . . 5.240 5.133 4.917 5.246 0.006 12 0 "[ . 1 . 2]" 2
419 1 12 PRO QD 1 23 SER QB . . 4.810 4.533 4.311 4.735 . 0 0 "[ . 1 . 2]" 2
420 1 22 PHE HB3 1 23 SER QB . . 4.800 4.426 4.341 4.566 . 0 0 "[ . 1 . 2]" 2
421 1 24 ARG HD3 1 26 TYR QE . . 3.870 2.815 1.992 3.611 . 0 0 "[ . 1 . 2]" 2
422 1 29 ILE HA 1 32 GLN HG3 . . 3.860 2.432 2.292 2.485 . 0 0 "[ . 1 . 2]" 2
423 1 29 ILE HA 1 32 GLN HB2 . . 3.570 2.924 2.810 2.959 . 0 0 "[ . 1 . 2]" 2
424 1 29 ILE HA 1 32 GLN HB3 . . 4.400 4.376 4.297 4.412 0.012 19 0 "[ . 1 . 2]" 2
425 1 28 LEU HB3 1 29 ILE HB . . 5.100 4.913 4.813 4.975 . 0 0 "[ . 1 . 2]" 2
426 1 28 LEU HB3 1 29 ILE HA . . 4.820 4.547 4.496 4.587 . 0 0 "[ . 1 . 2]" 2
427 1 28 LEU HG 1 29 ILE HA . . 3.240 3.202 3.139 3.253 0.013 12 0 "[ . 1 . 2]" 2
428 1 29 ILE HA 1 29 ILE HG13 . . 3.260 2.211 2.125 2.282 . 0 0 "[ . 1 . 2]" 2
429 1 28 LEU MD1 1 29 ILE HA . . 3.970 3.684 3.552 3.939 . 0 0 "[ . 1 . 2]" 2
430 1 23 SER QB 1 27 GLN HE21 . . 4.640 3.712 3.404 4.001 . 0 0 "[ . 1 . 2]" 2
431 1 28 LEU H 1 29 ILE HB . . 4.580 4.314 4.284 4.333 . 0 0 "[ . 1 . 2]" 2
432 1 23 SER QB 1 24 ARG HD3 . . 5.280 5.118 5.048 5.191 . 0 0 "[ . 1 . 2]" 2
433 1 26 TYR HB3 1 29 ILE HB . . 5.090 4.933 4.897 4.982 . 0 0 "[ . 1 . 2]" 2
434 1 23 SER QB 1 27 GLN HB2 . . 4.660 4.360 4.300 4.414 . 0 0 "[ . 1 . 2]" 2
435 1 23 SER QB 1 24 ARG HG3 . . 3.740 2.848 2.666 3.136 . 0 0 "[ . 1 . 2]" 2
436 1 23 SER QB 1 24 ARG HG2 . . 4.250 2.808 2.695 2.940 . 0 0 "[ . 1 . 2]" 2
437 1 33 ARG QB 1 34 THR HA . . 4.140 3.869 3.833 3.906 . 0 0 "[ . 1 . 2]" 2
438 1 23 SER QB 1 27 GLN HG3 . . 4.730 4.112 3.875 4.284 . 0 0 "[ . 1 . 2]" 2
439 1 34 THR HA 1 36 ALA MB . . 5.400 4.793 4.559 5.030 . 0 0 "[ . 1 . 2]" 2
440 1 12 PRO HA 1 14 GLU H . . 5.500 5.327 5.215 5.489 . 0 0 "[ . 1 . 2]" 2
441 1 12 PRO HA 1 13 TYR QD . . 5.280 5.080 5.008 5.118 . 0 0 "[ . 1 . 2]" 2
442 1 12 PRO HA 1 13 TYR HA . . 4.770 4.522 4.508 4.548 . 0 0 "[ . 1 . 2]" 2
443 1 14 GLU HG2 1 15 CYS H . . 4.430 3.722 3.644 3.821 . 0 0 "[ . 1 . 2]" 2
444 1 14 GLU H 1 14 GLU HG2 . . 4.830 4.635 4.588 4.683 . 0 0 "[ . 1 . 2]" 2
445 1 14 GLU HG2 1 21 ALA HA . . 4.550 2.973 2.890 3.114 . 0 0 "[ . 1 . 2]" 2
446 1 14 GLU HG3 1 21 ALA HA . . 4.610 2.411 2.322 2.500 . 0 0 "[ . 1 . 2]" 2
447 1 14 GLU HG2 1 21 ALA MB . . 3.860 2.453 2.367 2.709 . 0 0 "[ . 1 . 2]" 2
448 1 38 GLU HA 1 38 GLU HG2 . . 4.130 2.901 2.187 3.749 . 0 0 "[ . 1 . 2]" 2
449 1 38 GLU HA 1 38 GLU HG3 . . 4.130 3.377 2.709 4.216 0.086 1 0 "[ . 1 . 2]" 2
450 1 24 ARG HB3 1 26 TYR HB3 . . 5.170 4.616 4.444 4.706 . 0 0 "[ . 1 . 2]" 2
451 1 26 TYR HB2 1 29 ILE HB . . 4.220 3.945 3.880 4.029 . 0 0 "[ . 1 . 2]" 2
452 1 25 LYS HG3 1 26 TYR HB2 . . 5.500 5.441 5.156 5.532 0.032 12 0 "[ . 1 . 2]" 2
453 1 26 TYR HB2 1 29 ILE MD . . 4.570 4.177 4.037 4.288 . 0 0 "[ . 1 . 2]" 2
454 1 17 GLU HA 1 17 GLU HG3 . . 3.760 3.373 3.282 3.455 . 0 0 "[ . 1 . 2]" 2
455 1 17 GLU HG3 1 35 HIS HB3 . . 5.000 4.900 4.789 4.974 . 0 0 "[ . 1 . 2]" 2
456 1 17 GLU HG2 1 35 HIS HB3 . . 4.900 4.743 4.537 4.867 . 0 0 "[ . 1 . 2]" 2
457 1 30 SER HB2 1 33 ARG HG3 . . 5.500 4.915 4.507 5.185 . 0 0 "[ . 1 . 2]" 2
458 1 32 GLN H 1 32 GLN HG2 . . 3.750 2.850 2.765 2.935 . 0 0 "[ . 1 . 2]" 2
459 1 31 HIS HD2 1 32 GLN HG3 . . 4.380 4.063 3.937 4.335 . 0 0 "[ . 1 . 2]" 2
460 1 31 HIS HD2 1 32 GLN HG2 . . 4.040 3.230 3.133 3.364 . 0 0 "[ . 1 . 2]" 2
461 1 17 GLU HG2 1 35 HIS HD2 . . 5.180 5.066 4.862 5.177 . 0 0 "[ . 1 . 2]" 2
462 1 32 GLN HG3 1 35 HIS HD2 . . 5.290 5.161 5.044 5.225 . 0 0 "[ . 1 . 2]" 2
463 1 32 GLN HA 1 32 GLN HG3 . . 3.540 3.357 3.323 3.409 . 0 0 "[ . 1 . 2]" 2
464 1 31 HIS HB3 1 32 GLN HG3 . . 4.650 3.787 3.719 3.862 . 0 0 "[ . 1 . 2]" 2
465 1 31 HIS HB3 1 32 GLN HG2 . . 4.700 4.198 4.088 4.269 . 0 0 "[ . 1 . 2]" 2
466 1 29 ILE HB 1 30 SER HB2 . . 5.500 4.432 4.319 4.634 . 0 0 "[ . 1 . 2]" 2
467 1 29 ILE HB 1 30 SER HB3 . . 5.500 5.247 4.936 5.464 . 0 0 "[ . 1 . 2]" 2
468 1 30 SER HB3 1 33 ARG HG3 . . 5.500 5.259 4.981 5.476 . 0 0 "[ . 1 . 2]" 2
469 1 28 LEU HG 1 32 GLN HG2 . . 4.230 3.868 3.692 3.985 . 0 0 "[ . 1 . 2]" 2
470 1 28 LEU MD1 1 32 GLN HG2 . . 3.660 2.390 2.168 2.591 . 0 0 "[ . 1 . 2]" 2
471 1 8 THR HA 1 8 THR MG . . 3.400 2.741 2.213 3.208 . 0 0 "[ . 1 . 2]" 2
472 1 30 SER HA 1 33 ARG H . . 4.240 3.827 3.772 3.876 . 0 0 "[ . 1 . 2]" 2
473 1 30 SER HA 1 33 ARG QD . . 4.000 3.752 3.475 4.010 0.010 19 0 "[ . 1 . 2]" 2
474 1 24 ARG H 1 27 GLN HG2 . . 4.610 4.131 4.037 4.258 . 0 0 "[ . 1 . 2]" 2
475 1 24 ARG H 1 24 ARG HB3 . . 4.180 3.717 3.706 3.729 . 0 0 "[ . 1 . 2]" 2
476 1 26 TYR QD 1 27 GLN HG2 . . 4.030 3.868 3.659 3.992 . 0 0 "[ . 1 . 2]" 2
477 1 24 ARG HB3 1 26 TYR QE . . 4.240 3.614 3.471 3.872 . 0 0 "[ . 1 . 2]" 2
478 1 27 GLN H 1 27 GLN HG2 . . 3.810 3.199 3.094 3.294 . 0 0 "[ . 1 . 2]" 2
479 1 22 PHE HB3 1 27 GLN HG2 . . 4.630 4.399 4.356 4.434 . 0 0 "[ . 1 . 2]" 2
480 1 24 ARG HB3 1 24 ARG HD3 . . 4.060 2.281 2.066 2.596 . 0 0 "[ . 1 . 2]" 2
481 1 24 ARG HB2 1 27 GLN HB2 . . 4.150 3.209 3.094 3.311 . 0 0 "[ . 1 . 2]" 2
482 1 24 ARG HB2 1 27 GLN HG3 . . 3.920 2.013 1.991 2.051 . 0 0 "[ . 1 . 2]" 2
483 1 24 ARG HB2 1 27 GLN HG2 . . 4.160 3.702 3.572 3.788 . 0 0 "[ . 1 . 2]" 2
484 1 15 CYS H 1 20 LYS HB2 . . 4.860 4.262 4.072 4.456 . 0 0 "[ . 1 . 2]" 2
485 1 20 LYS HB3 1 21 ALA H . . 3.680 3.075 2.863 3.309 . 0 0 "[ . 1 . 2]" 2
486 1 20 LYS HB2 1 22 PHE QE . . 4.060 3.659 3.596 3.739 . 0 0 "[ . 1 . 2]" 2
487 1 24 ARG HB3 1 27 GLN H . . 4.350 3.907 3.821 3.982 . 0 0 "[ . 1 . 2]" 2
488 1 23 SER QB 1 24 ARG HB3 . . 5.230 4.865 4.843 4.907 . 0 0 "[ . 1 . 2]" 2
489 1 23 SER QB 1 24 ARG HB2 . . 4.780 4.385 4.312 4.503 . 0 0 "[ . 1 . 2]" 2
490 1 15 CYS HB3 1 20 LYS HB2 . . 4.230 3.239 2.887 3.609 . 0 0 "[ . 1 . 2]" 2
491 1 20 LYS HB3 1 20 LYS HE2 . . 5.500 4.434 3.499 5.116 . 0 0 "[ . 1 . 2]" 2
492 1 20 LYS HB3 1 20 LYS HE3 . . 5.500 4.572 3.868 4.988 . 0 0 "[ . 1 . 2]" 2
493 1 24 ARG HB3 1 27 GLN HB2 . . 4.880 4.759 4.643 4.844 . 0 0 "[ . 1 . 2]" 2
494 1 24 ARG HB3 1 27 GLN HG3 . . 4.170 3.716 3.696 3.752 . 0 0 "[ . 1 . 2]" 2
495 1 20 LYS HB2 1 20 LYS QD . . 3.320 2.264 2.034 2.555 . 0 0 "[ . 1 . 2]" 2
496 1 20 LYS HB3 1 20 LYS QD . . 3.310 2.625 2.488 2.760 . 0 0 "[ . 1 . 2]" 2
497 1 26 TYR HA 1 30 SER H . . 4.190 3.888 3.824 3.955 . 0 0 "[ . 1 . 2]" 2
498 1 26 TYR HA 1 26 TYR QE . . 5.500 5.566 5.552 5.576 0.076 17 0 "[ . 1 . 2]" 2
499 1 26 TYR HA 1 29 ILE HA . . 5.500 5.053 5.006 5.110 . 0 0 "[ . 1 . 2]" 2
500 1 26 TYR HA 1 29 ILE HB . . 3.130 2.377 2.349 2.404 . 0 0 "[ . 1 . 2]" 2
501 1 26 TYR HA 1 29 ILE HG12 . . 4.180 3.846 3.674 4.164 . 0 0 "[ . 1 . 2]" 2
502 1 25 LYS HG3 1 26 TYR HA . . 3.850 3.486 3.288 3.555 . 0 0 "[ . 1 . 2]" 2
503 1 25 LYS HG2 1 26 TYR HA . . 5.110 4.754 4.514 4.998 . 0 0 "[ . 1 . 2]" 2
504 1 26 TYR HA 1 29 ILE MG . . 3.930 3.817 3.779 3.854 . 0 0 "[ . 1 . 2]" 2
505 1 25 LYS HA 1 29 ILE H . . 4.910 4.598 4.552 4.646 . 0 0 "[ . 1 . 2]" 2
506 1 14 GLU QB 1 22 PHE H . . 5.210 5.086 5.035 5.166 . 0 0 "[ . 1 . 2]" 2
507 1 13 TYR H 1 14 GLU QB . . 5.500 5.096 4.947 5.184 . 0 0 "[ . 1 . 2]" 2
508 1 14 GLU QB 1 20 LYS H . . 5.500 4.775 4.642 4.950 . 0 0 "[ . 1 . 2]" 2
509 1 32 GLN HA 1 32 GLN HE21 . . 4.600 4.202 4.136 4.247 . 0 0 "[ . 1 . 2]" 2
510 1 14 GLU QB 1 22 PHE QD . . 5.240 5.124 5.046 5.237 . 0 0 "[ . 1 . 2]" 2
511 1 25 LYS HA 1 26 TYR QD . . 5.500 5.443 5.351 5.500 . 0 0 "[ . 1 . 2]" 2
512 1 13 TYR QD 1 25 LYS HA . . 4.000 2.652 2.489 2.849 . 0 0 "[ . 1 . 2]" 2
513 1 31 HIS HD2 1 32 GLN HA . . 3.790 3.253 3.078 3.388 . 0 0 "[ . 1 . 2]" 2
514 1 25 LYS HA 1 27 GLN H . . 4.690 4.388 4.320 4.471 . 0 0 "[ . 1 . 2]" 2
515 1 14 GLU QB 1 21 ALA HA . . 4.010 3.834 3.781 3.888 . 0 0 "[ . 1 . 2]" 2
516 1 14 GLU QB 1 15 CYS HB3 . . 5.110 4.826 4.723 4.907 . 0 0 "[ . 1 . 2]" 2
517 1 32 GLN HA 1 35 HIS HB3 . . 4.920 4.710 4.516 4.822 . 0 0 "[ . 1 . 2]" 2
518 1 32 GLN HA 1 35 HIS HB2 . . 4.100 3.056 2.855 3.160 . 0 0 "[ . 1 . 2]" 2
519 1 14 GLU QB 1 15 CYS HB2 . . 5.280 5.166 5.085 5.219 . 0 0 "[ . 1 . 2]" 2
520 1 32 GLN HA 1 32 GLN HG2 . . 3.270 2.472 2.430 2.505 . 0 0 "[ . 1 . 2]" 2
521 1 14 GLU QB 1 14 GLU HG3 . . 2.770 2.474 2.471 2.476 . 0 0 "[ . 1 . 2]" 2
522 1 32 GLN HA 1 33 ARG QB . . 5.500 5.360 5.314 5.399 . 0 0 "[ . 1 . 2]" 2
523 1 32 GLN HA 1 33 ARG HG2 . . 5.500 5.318 5.249 5.409 . 0 0 "[ . 1 . 2]" 2
524 1 25 LYS HA 1 25 LYS HG2 . . 4.240 3.842 3.801 3.878 . 0 0 "[ . 1 . 2]" 2
525 1 25 LYS HA 1 28 LEU MD2 . . 4.650 3.949 3.803 4.039 . 0 0 "[ . 1 . 2]" 2
526 1 28 LEU MD1 1 32 GLN HA . . 4.540 4.076 3.980 4.197 . 0 0 "[ . 1 . 2]" 2
527 1 25 LYS HA 1 29 ILE MD . . 4.740 3.539 3.443 3.690 . 0 0 "[ . 1 . 2]" 2
528 1 14 GLU QB 1 19 GLY HA2 . . 4.550 3.810 3.689 3.907 . 0 0 "[ . 1 . 2]" 2
529 1 17 GLU QB 1 18 CYS HB3 . . 4.210 3.622 3.592 3.666 . 0 0 "[ . 1 . 2]" 2
530 1 18 CYS HB2 1 19 GLY H . . 4.530 3.604 3.526 3.686 . 0 0 "[ . 1 . 2]" 2
531 1 18 CYS HB2 1 35 HIS HE1 . . 4.210 4.199 4.144 4.216 0.006 12 0 "[ . 1 . 2]" 2
532 1 18 CYS H 1 18 CYS HB2 . . 3.880 3.726 3.700 3.777 . 0 0 "[ . 1 . 2]" 2
533 1 39 LYS HB3 1 40 PRO HD2 . . 4.980 3.055 1.996 4.310 . 0 0 "[ . 1 . 2]" 2
534 1 39 LYS HB2 1 40 PRO HD3 . . 4.980 4.523 3.485 4.928 . 0 0 "[ . 1 . 2]" 2
535 1 39 LYS HB3 1 40 PRO HD3 . . 4.980 4.212 3.442 5.058 0.078 20 0 "[ . 1 . 2]" 2
536 1 17 GLU QB 1 18 CYS HB2 . . 5.150 4.945 4.925 4.969 . 0 0 "[ . 1 . 2]" 2
537 1 12 PRO HB3 1 13 TYR H . . 4.480 4.440 4.395 4.448 . 0 0 "[ . 1 . 2]" 2
538 1 12 PRO HB3 1 13 TYR QD . . 5.230 5.045 4.969 5.082 . 0 0 "[ . 1 . 2]" 2
539 1 31 HIS HA 1 31 HIS HD2 . . 4.590 4.559 4.488 4.593 0.003 17 0 "[ . 1 . 2]" 2
540 1 12 PRO HB2 1 13 TYR QE . . 4.500 3.910 3.736 4.002 . 0 0 "[ . 1 . 2]" 2
541 1 22 PHE HZ 1 31 HIS HA . . 4.850 4.463 4.358 4.597 . 0 0 "[ . 1 . 2]" 2
542 1 12 PRO HB2 1 13 TYR HA . . 4.700 4.463 4.400 4.505 . 0 0 "[ . 1 . 2]" 2
543 1 31 HIS HA 1 33 ARG QB . . 5.050 4.231 4.103 4.330 . 0 0 "[ . 1 . 2]" 2
544 1 31 HIS HA 1 33 ARG HG2 . . 5.500 4.719 4.555 5.203 . 0 0 "[ . 1 . 2]" 2
545 1 28 LEU MD1 1 31 HIS HA . . 5.500 5.164 5.092 5.239 . 0 0 "[ . 1 . 2]" 2
546 1 32 GLN H 1 33 ARG HA . . 5.460 5.340 5.299 5.380 . 0 0 "[ . 1 . 2]" 2
547 1 31 HIS HA 1 33 ARG H . . 4.580 3.872 3.713 4.057 . 0 0 "[ . 1 . 2]" 2
548 1 22 PHE QE 1 31 HIS HE1 . . 5.500 5.402 5.333 5.459 . 0 0 "[ . 1 . 2]" 2
549 1 22 PHE QE 1 31 HIS HA . . 4.720 4.415 4.296 4.486 . 0 0 "[ . 1 . 2]" 2
550 1 22 PHE HZ 1 31 HIS HE1 . . 4.840 4.494 4.396 4.558 . 0 0 "[ . 1 . 2]" 2
551 1 18 CYS HA 1 35 HIS HE1 . . 4.240 4.104 3.845 4.231 . 0 0 "[ . 1 . 2]" 2
552 1 18 CYS HB3 1 35 HIS HE1 . . 3.140 2.556 2.513 2.613 . 0 0 "[ . 1 . 2]" 2
553 1 20 LYS QD 1 31 HIS HE1 . . 3.350 2.763 2.354 3.150 . 0 0 "[ . 1 . 2]" 2
554 1 33 ARG HA 1 35 HIS H . . 4.390 4.185 3.852 4.337 . 0 0 "[ . 1 . 2]" 2
555 1 32 GLN HA 1 33 ARG HA . . 4.970 4.905 4.850 4.946 . 0 0 "[ . 1 . 2]" 2
556 1 32 GLN HB2 1 33 ARG HA . . 4.730 4.193 4.139 4.286 . 0 0 "[ . 1 . 2]" 2
557 1 33 ARG HA 1 33 ARG QB . . 2.760 2.332 2.317 2.363 . 0 0 "[ . 1 . 2]" 2
558 1 17 GLU HA 1 17 GLU HG2 . . 3.170 2.481 2.413 2.553 . 0 0 "[ . 1 . 2]" 2
559 1 33 ARG HA 1 34 THR MG . . 5.060 4.803 4.741 4.870 . 0 0 "[ . 1 . 2]" 2
560 1 17 GLU HA 1 19 GLY H . . 5.410 5.344 5.258 5.409 . 0 0 "[ . 1 . 2]" 2
561 1 18 CYS HA 1 19 GLY HA3 . . 5.470 4.542 4.534 4.550 . 0 0 "[ . 1 . 2]" 2
562 1 25 LYS HB2 1 29 ILE MD . . 4.820 4.204 4.074 4.330 . 0 0 "[ . 1 . 2]" 2
563 1 25 LYS HB3 1 29 ILE MD . . 4.820 3.751 3.684 3.882 . 0 0 "[ . 1 . 2]" 2
564 1 17 GLU HA 1 18 CYS HA . . 4.710 4.557 4.543 4.568 . 0 0 "[ . 1 . 2]" 2
565 1 20 LYS HA 1 21 ALA HA . . 4.620 4.501 4.479 4.530 . 0 0 "[ . 1 . 2]" 2
566 1 19 GLY HA3 1 20 LYS HA . . 4.730 4.543 4.538 4.550 . 0 0 "[ . 1 . 2]" 2
567 1 22 PHE HB2 1 28 LEU HA . . 4.690 3.625 3.554 3.704 . 0 0 "[ . 1 . 2]" 2
568 1 20 LYS HA 1 20 LYS HG2 . . 3.560 3.137 2.821 3.304 . 0 0 "[ . 1 . 2]" 2
569 1 28 LEU HA 1 32 GLN H . . 4.390 4.376 4.335 4.400 0.010 15 0 "[ . 1 . 2]" 2
570 1 28 LEU HA 1 31 HIS HD2 . . 5.110 4.856 4.773 4.949 . 0 0 "[ . 1 . 2]" 2
571 1 20 LYS HA 1 22 PHE QE . . 4.820 4.647 4.471 4.743 . 0 0 "[ . 1 . 2]" 2
572 1 22 PHE QE 1 28 LEU HA . . 3.810 3.048 3.015 3.079 . 0 0 "[ . 1 . 2]" 2
573 1 28 LEU HA 1 31 HIS HA . . 5.500 5.521 5.501 5.534 0.034 14 0 "[ . 1 . 2]" 2
574 1 27 GLN HA 1 28 LEU HA . . 5.070 4.664 4.657 4.673 . 0 0 "[ . 1 . 2]" 2
575 1 28 LEU HA 1 29 ILE HA . . 5.500 4.861 4.847 4.877 . 0 0 "[ . 1 . 2]" 2
576 1 22 PHE HB3 1 28 LEU HA . . 4.640 4.020 3.955 4.059 . 0 0 "[ . 1 . 2]" 2
577 1 28 LEU HA 1 31 HIS HB3 . . 3.480 2.913 2.882 2.931 . 0 0 "[ . 1 . 2]" 2
578 1 28 LEU HA 1 31 HIS HB2 . . 3.840 3.738 3.691 3.769 . 0 0 "[ . 1 . 2]" 2
579 1 27 GLN HB2 1 28 LEU HA . . 4.930 4.544 4.500 4.609 . 0 0 "[ . 1 . 2]" 2
580 1 27 GLN HB3 1 28 LEU HA . . 4.630 4.430 4.387 4.468 . 0 0 "[ . 1 . 2]" 2
581 1 28 LEU HA 1 28 LEU HG . . 3.650 3.526 3.462 3.562 . 0 0 "[ . 1 . 2]" 2
582 1 28 LEU HA 1 28 LEU MD1 . . 2.970 2.227 2.030 2.383 . 0 0 "[ . 1 . 2]" 2
583 1 27 GLN HA 1 30 SER H . . 4.220 4.117 4.048 4.164 . 0 0 "[ . 1 . 2]" 2
584 1 22 PHE QD 1 27 GLN HA . . 4.130 3.770 3.711 3.823 . 0 0 "[ . 1 . 2]" 2
585 1 27 GLN HA 1 27 GLN HG2 . . 3.100 2.344 2.294 2.409 . 0 0 "[ . 1 . 2]" 2
586 1 27 GLN HA 1 27 GLN HG3 . . 3.440 3.226 3.144 3.310 . 0 0 "[ . 1 . 2]" 2
587 1 24 ARG HB2 1 27 GLN HA . . 4.710 4.649 4.562 4.718 0.008 2 0 "[ . 1 . 2]" 2
588 1 33 ARG H 1 33 ARG QB . . 3.420 2.608 2.582 2.667 . 0 0 "[ . 1 . 2]" 2
589 1 26 TYR HA 1 27 GLN HA . . 4.910 4.869 4.857 4.886 . 0 0 "[ . 1 . 2]" 2
590 1 10 GLU HA 1 12 PRO QD . . 5.060 4.016 3.450 4.950 . 0 0 "[ . 1 . 2]" 2
591 1 10 GLU HA 1 10 GLU QG . . 3.510 2.745 2.256 3.449 . 0 0 "[ . 1 . 2]" 2
592 1 15 CYS HB3 1 19 GLY HA2 . . 4.530 3.873 3.711 3.983 . 0 0 "[ . 1 . 2]" 2
593 1 17 GLU QB 1 35 HIS HB2 . . 4.950 4.066 3.922 4.178 . 0 0 "[ . 1 . 2]" 2
594 1 15 CYS HB2 1 19 GLY H . . 4.330 3.979 3.807 4.094 . 0 0 "[ . 1 . 2]" 2
595 1 15 CYS HB2 1 22 PHE QD . . 4.570 4.408 4.270 4.515 . 0 0 "[ . 1 . 2]" 2
596 1 17 GLU QB 1 18 CYS HA . . 4.690 4.068 4.022 4.142 . 0 0 "[ . 1 . 2]" 2
597 1 16 HIS QB 1 17 GLU HA . . 4.600 4.568 4.419 4.662 0.062 18 0 "[ . 1 . 2]" 2
598 1 17 GLU QB 1 35 HIS HB3 . . 4.550 3.735 3.558 3.826 . 0 0 "[ . 1 . 2]" 2
599 1 16 HIS QB 1 17 GLU HG3 . . 5.110 4.813 4.599 5.067 . 0 0 "[ . 1 . 2]" 2
600 1 15 CYS HB3 1 17 GLU HG3 . . 5.500 5.010 4.695 5.162 . 0 0 "[ . 1 . 2]" 2
601 1 16 HIS QB 1 17 GLU HG2 . . 5.060 4.775 4.632 4.964 . 0 0 "[ . 1 . 2]" 2
602 1 15 CYS HB3 1 17 GLU QB . . 4.650 4.089 3.933 4.226 . 0 0 "[ . 1 . 2]" 2
603 1 16 HIS QB 1 17 GLU QB . . 5.490 5.422 5.383 5.473 . 0 0 "[ . 1 . 2]" 2
604 1 15 CYS HB2 1 20 LYS HB2 . . 4.330 3.556 3.343 3.759 . 0 0 "[ . 1 . 2]" 2
605 1 15 CYS HB3 1 20 LYS HB3 . . 4.280 3.061 2.798 3.291 . 0 0 "[ . 1 . 2]" 2
606 1 15 CYS HB2 1 20 LYS HB3 . . 4.330 2.630 2.397 2.875 . 0 0 "[ . 1 . 2]" 2
607 1 15 CYS HB3 1 28 LEU MD1 . . 3.580 3.563 3.494 3.592 0.012 18 0 "[ . 1 . 2]" 2
608 1 20 LYS QD 1 21 ALA H . . 4.280 3.861 3.692 4.031 . 0 0 "[ . 1 . 2]" 2
609 1 39 LYS HA 1 39 LYS QD . . 4.770 3.676 2.109 4.466 . 0 0 "[ . 1 . 2]" 2
610 1 20 LYS HA 1 20 LYS QD . . 4.100 3.923 3.663 4.078 . 0 0 "[ . 1 . 2]" 2
611 1 20 LYS QD 1 31 HIS HB3 . . 4.730 4.077 3.807 4.306 . 0 0 "[ . 1 . 2]" 2
612 1 31 HIS HB2 1 32 GLN H . . 3.980 3.888 3.840 3.922 . 0 0 "[ . 1 . 2]" 2
613 1 29 ILE H 1 29 ILE HG12 . . 4.040 3.950 3.891 4.045 0.005 11 0 "[ . 1 . 2]" 2
614 1 29 ILE HG12 1 30 SER H . . 5.100 5.027 4.996 5.084 . 0 0 "[ . 1 . 2]" 2
615 1 35 HIS HB2 1 36 ALA H . . 3.880 2.774 2.581 3.730 . 0 0 "[ . 1 . 2]" 2
616 1 22 PHE QD 1 31 HIS HB2 . . 4.870 4.361 4.214 4.415 . 0 0 "[ . 1 . 2]" 2
617 1 22 PHE QE 1 31 HIS HB2 . . 4.000 2.278 2.052 2.378 . 0 0 "[ . 1 . 2]" 2
618 1 26 TYR HA 1 29 ILE HG13 . . 4.870 4.679 4.602 4.746 . 0 0 "[ . 1 . 2]" 2
619 1 29 ILE HA 1 29 ILE HG12 . . 3.560 3.517 3.425 3.569 0.009 18 0 "[ . 1 . 2]" 2
620 1 28 LEU HB3 1 29 ILE HG13 . . 5.280 5.047 4.899 5.194 . 0 0 "[ . 1 . 2]" 2
621 1 28 LEU MD2 1 29 ILE HG13 . . 5.380 4.846 4.598 4.985 . 0 0 "[ . 1 . 2]" 2
622 1 28 LEU MD1 1 29 ILE HG13 . . 5.500 5.020 4.864 5.203 . 0 0 "[ . 1 . 2]" 2
623 1 24 ARG H 1 27 GLN HB3 . . 4.610 3.688 3.629 3.787 . 0 0 "[ . 1 . 2]" 2
624 1 32 GLN H 1 32 GLN HB3 . . 3.640 3.591 3.588 3.594 . 0 0 "[ . 1 . 2]" 2
625 1 32 GLN HB2 1 32 GLN HE21 . . 4.430 4.394 4.347 4.454 0.024 12 0 "[ . 1 . 2]" 2
626 1 32 GLN HB3 1 32 GLN HE22 . . 4.660 4.049 4.006 4.094 . 0 0 "[ . 1 . 2]" 2
627 1 32 GLN HB2 1 32 GLN HE22 . . 4.970 4.786 4.741 4.851 . 0 0 "[ . 1 . 2]" 2
628 1 32 GLN HB3 1 33 ARG HA . . 4.860 4.639 4.593 4.701 . 0 0 "[ . 1 . 2]" 2
629 1 31 HIS HB3 1 32 GLN HB2 . . 5.500 5.110 5.086 5.157 . 0 0 "[ . 1 . 2]" 2
630 1 32 GLN HB2 1 35 HIS HB2 . . 5.500 5.016 4.857 5.142 . 0 0 "[ . 1 . 2]" 2
631 1 28 LEU HG 1 32 GLN HB2 . . 4.990 4.948 4.822 5.004 0.014 12 0 "[ . 1 . 2]" 2
632 1 28 LEU MD1 1 32 GLN HB2 . . 4.500 4.193 4.061 4.432 . 0 0 "[ . 1 . 2]" 2
633 1 33 ARG HG2 1 34 THR H . . 4.890 4.149 4.035 4.271 . 0 0 "[ . 1 . 2]" 2
634 1 33 ARG HG3 1 34 THR H . . 5.020 4.870 4.681 4.984 . 0 0 "[ . 1 . 2]" 2
635 1 22 PHE QD 1 28 LEU HG . . 5.160 4.898 4.802 4.998 . 0 0 "[ . 1 . 2]" 2
636 1 28 LEU H 1 28 LEU HG . . 4.180 4.140 4.107 4.183 0.003 1 0 "[ . 1 . 2]" 2
637 1 30 SER HA 1 33 ARG HG2 . . 3.520 2.482 2.310 2.825 . 0 0 "[ . 1 . 2]" 2
638 1 30 SER HA 1 33 ARG HG3 . . 3.290 2.567 2.360 2.746 . 0 0 "[ . 1 . 2]" 2
639 1 29 ILE MG 1 33 ARG HG3 . . 4.890 4.074 3.880 4.219 . 0 0 "[ . 1 . 2]" 2
640 1 28 LEU HG 1 32 GLN HG3 . . 3.810 2.836 2.693 2.909 . 0 0 "[ . 1 . 2]" 2
641 1 12 PRO HG3 1 23 SER HA . . 5.240 4.908 4.782 5.010 . 0 0 "[ . 1 . 2]" 2
642 1 22 PHE H 1 28 LEU MD2 . . 4.850 4.615 4.473 4.760 . 0 0 "[ . 1 . 2]" 2
643 1 24 ARG HG2 1 25 LYS H . . 4.850 4.557 4.496 4.592 . 0 0 "[ . 1 . 2]" 2
644 1 24 ARG H 1 24 ARG HG2 . . 4.240 2.897 2.825 3.007 . 0 0 "[ . 1 . 2]" 2
645 1 24 ARG HG3 1 26 TYR QD . . 4.540 3.810 3.746 3.873 . 0 0 "[ . 1 . 2]" 2
646 1 24 ARG HG2 1 26 TYR QD . . 4.790 4.607 4.535 4.662 . 0 0 "[ . 1 . 2]" 2
647 1 24 ARG HG2 1 26 TYR QE . . 4.320 4.038 3.956 4.186 . 0 0 "[ . 1 . 2]" 2
648 1 24 ARG HG2 1 27 GLN H . . 5.500 5.332 5.282 5.398 . 0 0 "[ . 1 . 2]" 2
649 1 24 ARG HG3 1 27 GLN H . . 4.950 4.326 4.243 4.396 . 0 0 "[ . 1 . 2]" 2
650 1 12 PRO HG2 1 23 SER HA . . 4.390 4.365 4.267 4.395 0.005 20 0 "[ . 1 . 2]" 2
651 1 24 ARG HG2 1 27 GLN HB2 . . 5.500 5.027 4.916 5.153 . 0 0 "[ . 1 . 2]" 2
652 1 24 ARG HG2 1 27 GLN HG2 . . 5.500 5.471 5.379 5.514 0.014 13 0 "[ . 1 . 2]" 2
653 1 24 ARG HG3 1 27 GLN HB2 . . 5.050 4.030 3.924 4.169 . 0 0 "[ . 1 . 2]" 2
654 1 24 ARG HG3 1 27 GLN HG2 . . 5.490 3.792 3.697 3.871 . 0 0 "[ . 1 . 2]" 2
655 1 28 LEU MD2 1 29 ILE H . . 4.270 4.194 4.069 4.275 0.005 15 0 "[ . 1 . 2]" 2
656 1 28 LEU MD2 1 32 GLN HE21 . . 4.300 3.861 3.659 4.046 . 0 0 "[ . 1 . 2]" 2
657 1 22 PHE QD 1 28 LEU MD2 . . 4.090 3.346 3.212 3.505 . 0 0 "[ . 1 . 2]" 2
658 1 35 HIS H 1 36 ALA HA . . 5.200 5.123 5.002 5.174 . 0 0 "[ . 1 . 2]" 2
659 1 20 LYS HG2 1 22 PHE QE . . 4.970 3.119 2.664 3.538 . 0 0 "[ . 1 . 2]" 2
660 1 22 PHE QE 1 28 LEU MD2 . . 4.100 3.865 3.618 4.024 . 0 0 "[ . 1 . 2]" 2
661 1 13 TYR HA 1 28 LEU MD2 . . 3.580 3.154 3.030 3.233 . 0 0 "[ . 1 . 2]" 2
662 1 28 LEU MD2 1 29 ILE HA . . 4.870 4.657 4.570 4.723 . 0 0 "[ . 1 . 2]" 2
663 1 28 LEU HA 1 28 LEU MD2 . . 4.040 3.880 3.848 3.914 . 0 0 "[ . 1 . 2]" 2
664 1 13 TYR HB3 1 28 LEU MD2 . . 3.130 2.141 1.983 2.394 . 0 0 "[ . 1 . 2]" 2
665 1 13 TYR HB2 1 28 LEU MD2 . . 3.620 3.403 3.295 3.584 . 0 0 "[ . 1 . 2]" 2
666 1 22 PHE HB2 1 28 LEU MD2 . . 4.610 4.131 4.097 4.190 . 0 0 "[ . 1 . 2]" 2
667 1 14 GLU QB 1 28 LEU MD2 . . 4.300 4.188 4.080 4.287 . 0 0 "[ . 1 . 2]" 2
668 1 28 LEU HB2 1 28 LEU MD2 . . 3.240 2.242 2.164 2.347 . 0 0 "[ . 1 . 2]" 2
669 1 20 LYS H 1 20 LYS HG2 . . 4.790 4.607 4.561 4.664 . 0 0 "[ . 1 . 2]" 2
670 1 20 LYS H 1 20 LYS HG3 . . 4.790 4.293 4.185 4.405 . 0 0 "[ . 1 . 2]" 2
671 1 20 LYS HG3 1 21 ALA H . . 4.010 2.455 2.036 2.998 . 0 0 "[ . 1 . 2]" 2
672 1 20 LYS HG3 1 22 PHE QE . . 4.970 4.379 4.028 4.590 . 0 0 "[ . 1 . 2]" 2
673 1 36 ALA HA 1 37 GLY QA . . 4.750 4.008 3.899 4.568 . 0 0 "[ . 1 . 2]" 2
674 1 20 LYS HA 1 20 LYS HG3 . . 3.560 2.260 2.166 2.377 . 0 0 "[ . 1 . 2]" 2
675 1 35 HIS HB3 1 36 ALA HA . . 4.890 4.293 4.184 4.596 . 0 0 "[ . 1 . 2]" 2
676 1 26 TYR QD 1 29 ILE H . . 5.500 5.419 5.337 5.501 0.001 13 0 "[ . 1 . 2]" 2
677 1 26 TYR QD 1 27 GLN HE21 . . 4.850 4.588 4.396 4.850 . 0 0 "[ . 1 . 2]" 2
678 1 26 TYR HA 1 26 TYR QD . . 3.710 3.663 3.647 3.679 . 0 0 "[ . 1 . 2]" 2
679 1 26 TYR QD 1 27 GLN HA . . 3.980 3.666 3.577 3.784 . 0 0 "[ . 1 . 2]" 2
680 1 24 ARG HD2 1 26 TYR QD . . 4.670 3.756 3.027 4.525 . 0 0 "[ . 1 . 2]" 2
681 1 26 TYR QD 1 27 GLN HB2 . . 4.570 4.378 4.187 4.490 . 0 0 "[ . 1 . 2]" 2
682 1 24 ARG HB3 1 26 TYR QD . . 3.370 2.692 2.520 2.854 . 0 0 "[ . 1 . 2]" 2
683 1 26 TYR QD 1 27 GLN HG3 . . 3.880 3.019 2.691 3.180 . 0 0 "[ . 1 . 2]" 2
684 1 24 ARG HB2 1 26 TYR QD . . 3.810 2.062 1.996 2.170 . 0 0 "[ . 1 . 2]" 2
685 1 26 TYR QD 1 29 ILE MD . . 5.080 4.967 4.884 5.088 0.008 11 0 "[ . 1 . 2]" 2
686 1 13 TYR QD 1 22 PHE HB3 . . 5.150 4.854 4.745 5.043 . 0 0 "[ . 1 . 2]" 2
687 1 13 TYR QD 1 25 LYS H . . 4.300 4.010 3.780 4.171 . 0 0 "[ . 1 . 2]" 2
688 1 13 TYR QD 1 14 GLU H . . 4.770 4.619 4.561 4.695 . 0 0 "[ . 1 . 2]" 2
689 1 13 TYR HA 1 13 TYR QD . . 3.160 2.874 2.815 2.985 . 0 0 "[ . 1 . 2]" 2
690 1 12 PRO QD 1 13 TYR QD . . 3.640 2.940 2.736 3.064 . 0 0 "[ . 1 . 2]" 2
691 1 13 TYR QD 1 22 PHE HB2 . . 4.210 3.868 3.737 4.041 . 0 0 "[ . 1 . 2]" 2
692 1 13 TYR QD 1 28 LEU HB3 . . 4.320 4.229 4.071 4.338 0.018 2 0 "[ . 1 . 2]" 2
693 1 12 PRO HG3 1 13 TYR QD . . 4.100 3.994 3.890 4.042 . 0 0 "[ . 1 . 2]" 2
694 1 12 PRO HG2 1 13 TYR QD . . 3.730 2.385 2.286 2.437 . 0 0 "[ . 1 . 2]" 2
695 1 12 PRO HB2 1 13 TYR QD . . 4.170 4.027 3.917 4.067 . 0 0 "[ . 1 . 2]" 2
696 1 13 TYR QD 1 28 LEU MD2 . . 3.460 3.392 3.203 3.475 0.015 12 0 "[ . 1 . 2]" 2
697 1 25 LYS HG3 1 29 ILE H . . 4.900 4.058 3.943 4.141 . 0 0 "[ . 1 . 2]" 2
698 1 13 TYR QD 1 25 LYS HG3 . . 4.760 4.386 4.257 4.714 . 0 0 "[ . 1 . 2]" 2
699 1 13 TYR QD 1 25 LYS HG2 . . 5.040 4.714 4.478 4.884 . 0 0 "[ . 1 . 2]" 2
700 1 13 TYR QE 1 25 LYS HG3 . . 4.890 4.586 4.474 4.753 . 0 0 "[ . 1 . 2]" 2
701 1 25 LYS HA 1 25 LYS HG3 . . 3.980 2.957 2.842 3.152 . 0 0 "[ . 1 . 2]" 2
702 1 22 PHE QD 1 27 GLN H . . 5.200 5.127 5.065 5.169 . 0 0 "[ . 1 . 2]" 2
703 1 21 ALA HA 1 22 PHE QD . . 3.640 2.779 2.640 2.818 . 0 0 "[ . 1 . 2]" 2
704 1 22 PHE QD 1 28 LEU HA . . 3.690 3.030 2.997 3.051 . 0 0 "[ . 1 . 2]" 2
705 1 22 PHE QD 1 31 HIS HB3 . . 4.610 4.605 4.552 4.629 0.019 13 0 "[ . 1 . 2]" 2
706 1 13 TYR HB2 1 22 PHE QD . . 3.650 3.534 3.425 3.601 . 0 0 "[ . 1 . 2]" 2
707 1 22 PHE QD 1 27 GLN HB2 . . 3.750 3.375 3.310 3.461 . 0 0 "[ . 1 . 2]" 2
708 1 22 PHE QD 1 27 GLN HB3 . . 3.430 2.124 2.057 2.231 . 0 0 "[ . 1 . 2]" 2
709 1 20 LYS QD 1 22 PHE QD . . 5.120 4.505 4.162 5.094 . 0 0 "[ . 1 . 2]" 2
710 1 22 PHE QD 1 28 LEU HB2 . . 3.640 2.375 2.269 2.489 . 0 0 "[ . 1 . 2]" 2
711 1 20 LYS HB3 1 22 PHE QD . . 4.420 3.990 3.907 4.156 . 0 0 "[ . 1 . 2]" 2
712 1 22 PHE QD 1 28 LEU MD1 . . 3.110 2.866 2.675 3.083 . 0 0 "[ . 1 . 2]" 2
713 1 13 TYR H 1 22 PHE QD . . 5.030 4.995 4.870 5.045 0.015 15 0 "[ . 1 . 2]" 2
714 1 39 LYS HA 1 40 PRO HD2 . . 3.060 2.255 2.014 2.525 . 0 0 "[ . 1 . 2]" 2
715 1 39 LYS HB2 1 40 PRO HD2 . . 4.980 3.475 2.044 4.097 . 0 0 "[ . 1 . 2]" 2
716 1 39 LYS HA 1 40 PRO HD3 . . 3.060 2.277 2.254 2.358 . 0 0 "[ . 1 . 2]" 2
717 1 11 ASN HB2 1 12 PRO QD . . 4.380 4.256 3.996 4.395 0.015 6 0 "[ . 1 . 2]" 2
718 1 21 ALA HA 1 22 PHE QE . . 4.870 3.849 3.659 3.935 . 0 0 "[ . 1 . 2]" 2
719 1 28 LEU MD1 1 32 GLN HB3 . . 4.630 4.470 4.376 4.636 0.006 11 0 "[ . 1 . 2]" 2
720 1 22 PHE QE 1 28 LEU HB3 . . 4.960 4.959 4.883 4.988 0.028 17 0 "[ . 1 . 2]" 2
721 1 22 PHE H 1 22 PHE QE . . 4.610 4.570 4.430 4.632 0.022 18 0 "[ . 1 . 2]" 2
722 1 17 GLU H 1 28 LEU MD1 . . 5.220 4.810 4.553 5.063 . 0 0 "[ . 1 . 2]" 2
723 1 22 PHE H 1 28 LEU MD1 . . 5.500 4.994 4.779 5.089 . 0 0 "[ . 1 . 2]" 2
724 1 14 GLU H 1 28 LEU MD1 . . 4.810 4.798 4.681 4.820 0.010 2 0 "[ . 1 . 2]" 2
725 1 28 LEU MD1 1 29 ILE H . . 4.160 3.917 3.849 3.993 . 0 0 "[ . 1 . 2]" 2
726 1 28 LEU MD1 1 31 HIS HD2 . . 3.240 2.898 2.790 2.983 . 0 0 "[ . 1 . 2]" 2
727 1 22 PHE QE 1 28 LEU MD1 . . 3.290 2.047 1.952 2.166 . 0 0 "[ . 1 . 2]" 2
728 1 21 ALA HA 1 28 LEU MD1 . . 4.920 4.707 4.470 4.893 . 0 0 "[ . 1 . 2]" 2
729 1 15 CYS HA 1 28 LEU MD1 . . 3.220 2.018 1.972 2.274 . 0 0 "[ . 1 . 2]" 2
730 1 15 CYS HB3 1 22 PHE QE . . 3.860 3.725 3.505 3.861 0.001 9 0 "[ . 1 . 2]" 2
731 1 22 PHE QE 1 31 HIS HB3 . . 4.220 3.149 3.016 3.212 . 0 0 "[ . 1 . 2]" 2
732 1 28 LEU MD1 1 31 HIS HB3 . . 3.880 2.684 2.471 2.781 . 0 0 "[ . 1 . 2]" 2
733 1 15 CYS HB2 1 22 PHE QE . . 3.770 2.378 2.178 2.529 . 0 0 "[ . 1 . 2]" 2
734 1 15 CYS HB2 1 28 LEU MD1 . . 3.060 2.231 2.157 2.280 . 0 0 "[ . 1 . 2]" 2
735 1 28 LEU MD1 1 32 GLN HG3 . . 3.310 2.126 1.979 2.491 . 0 0 "[ . 1 . 2]" 2
736 1 22 PHE HB2 1 28 LEU MD1 . . 4.450 4.352 4.279 4.433 . 0 0 "[ . 1 . 2]" 2
737 1 28 LEU HB3 1 28 LEU MD1 . . 3.460 3.182 3.172 3.196 . 0 0 "[ . 1 . 2]" 2
738 1 22 PHE QE 1 27 GLN HB3 . . 4.420 4.309 4.239 4.429 0.009 12 0 "[ . 1 . 2]" 2
739 1 14 GLU QB 1 28 LEU MD1 . . 4.930 4.888 4.797 4.942 0.012 16 0 "[ . 1 . 2]" 2
740 1 20 LYS QD 1 22 PHE QE . . 3.960 2.999 2.658 3.450 . 0 0 "[ . 1 . 2]" 2
741 1 22 PHE QE 1 28 LEU HB2 . . 4.430 3.556 3.492 3.601 . 0 0 "[ . 1 . 2]" 2
742 1 28 LEU HB2 1 28 LEU MD1 . . 3.290 2.392 2.341 2.499 . 0 0 "[ . 1 . 2]" 2
743 1 20 LYS HB3 1 22 PHE QE . . 3.670 2.009 1.989 2.080 . 0 0 "[ . 1 . 2]" 2
744 1 14 GLU H 1 21 ALA MB . . 5.500 5.191 5.017 5.309 . 0 0 "[ . 1 . 2]" 2
745 1 13 TYR H 1 21 ALA MB . . 4.730 4.535 4.321 4.653 . 0 0 "[ . 1 . 2]" 2
746 1 21 ALA MB 1 22 PHE QD . . 4.140 4.125 4.010 4.153 0.013 3 0 "[ . 1 . 2]" 2
747 1 20 LYS HA 1 21 ALA MB . . 4.040 3.790 3.721 3.855 . 0 0 "[ . 1 . 2]" 2
748 1 13 TYR HB2 1 21 ALA MB . . 5.500 5.334 5.093 5.445 . 0 0 "[ . 1 . 2]" 2
749 1 11 ASN HB2 1 21 ALA MB . . 3.360 2.060 1.886 2.269 . 0 0 "[ . 1 . 2]" 2
750 1 11 ASN HB3 1 21 ALA MB . . 3.360 2.246 2.042 2.776 . 0 0 "[ . 1 . 2]" 2
751 1 14 GLU HG3 1 21 ALA MB . . 3.530 2.145 2.028 2.315 . 0 0 "[ . 1 . 2]" 2
752 1 14 GLU QB 1 21 ALA MB . . 3.950 3.925 3.879 3.961 0.011 12 0 "[ . 1 . 2]" 2
753 1 31 HIS HE1 1 34 THR MG . . 4.250 4.091 3.971 4.203 . 0 0 "[ . 1 . 2]" 2
754 1 31 HIS H 1 34 THR MG . . 5.500 5.217 5.024 5.343 . 0 0 "[ . 1 . 2]" 2
755 1 34 THR MG 1 36 ALA H . . 5.500 5.307 4.954 5.454 . 0 0 "[ . 1 . 2]" 2
756 1 31 HIS HA 1 34 THR MG . . 3.400 2.966 2.763 3.101 . 0 0 "[ . 1 . 2]" 2
757 1 34 THR HA 1 34 THR MG . . 2.880 2.513 2.478 2.539 . 0 0 "[ . 1 . 2]" 2
758 1 22 PHE HZ 1 28 LEU HA . . 4.800 3.446 3.377 3.523 . 0 0 "[ . 1 . 2]" 2
759 1 33 ARG QD 1 34 THR MG . . 5.500 5.511 5.447 5.553 0.053 7 0 "[ . 1 . 2]" 2
760 1 22 PHE HZ 1 31 HIS HB3 . . 4.180 2.425 2.366 2.490 . 0 0 "[ . 1 . 2]" 2
761 1 31 HIS HB3 1 34 THR MG . . 5.180 5.109 4.975 5.181 0.001 7 0 "[ . 1 . 2]" 2
762 1 31 HIS HB2 1 34 THR MG . . 4.690 4.621 4.441 4.703 0.013 7 0 "[ . 1 . 2]" 2
763 1 22 PHE HZ 1 31 HIS HB2 . . 3.780 2.299 2.160 2.505 . 0 0 "[ . 1 . 2]" 2
764 1 33 ARG QB 1 34 THR MG . . 3.830 3.013 2.947 3.069 . 0 0 "[ . 1 . 2]" 2
765 1 33 ARG HG3 1 34 THR MG . . 5.320 5.063 4.881 5.178 . 0 0 "[ . 1 . 2]" 2
766 1 20 LYS QD 1 22 PHE HZ . . 3.550 2.126 1.942 2.415 . 0 0 "[ . 1 . 2]" 2
767 1 20 LYS HB2 1 22 PHE HZ . . 4.090 3.803 3.650 3.918 . 0 0 "[ . 1 . 2]" 2
768 1 20 LYS HB3 1 22 PHE HZ . . 3.710 2.857 2.679 2.987 . 0 0 "[ . 1 . 2]" 2
769 1 22 PHE HZ 1 28 LEU MD1 . . 4.490 3.195 2.907 3.333 . 0 0 "[ . 1 . 2]" 2
770 1 28 LEU MD1 1 31 HIS HB2 . . 4.370 4.021 3.840 4.143 . 0 0 "[ . 1 . 2]" 2
771 1 16 HIS HE1 1 17 GLU HG3 . . 5.340 5.278 5.083 5.347 0.007 18 0 "[ . 1 . 2]" 2
772 1 9 GLY QA 1 10 GLU QB . . 5.180 4.125 3.834 4.558 . 0 0 "[ . 1 . 2]" 2
773 1 10 GLU H 1 10 GLU QB . . 3.360 2.466 2.190 3.290 . 0 0 "[ . 1 . 2]" 2
774 1 10 GLU HA 1 11 ASN QB . . 5.330 4.887 4.472 5.278 . 0 0 "[ . 1 . 2]" 2
775 1 11 ASN H 1 11 ASN QB . . 3.690 2.710 2.287 3.143 . 0 0 "[ . 1 . 2]" 2
776 1 11 ASN QB 1 11 ASN QD . . 2.920 2.184 2.065 2.513 . 0 0 "[ . 1 . 2]" 2
777 1 11 ASN QB 1 12 PRO QD . . 3.630 3.513 3.142 3.658 0.028 1 0 "[ . 1 . 2]" 2
778 1 11 ASN QB 1 13 TYR H . . 4.210 3.019 2.519 3.303 . 0 0 "[ . 1 . 2]" 2
779 1 11 ASN QB 1 14 GLU QB . . 5.340 4.859 4.550 5.152 . 0 0 "[ . 1 . 2]" 2
780 1 11 ASN QB 1 21 ALA HA . . 4.790 3.174 3.076 3.358 . 0 0 "[ . 1 . 2]" 2
781 1 11 ASN QB 1 22 PHE H . . 3.800 2.366 2.038 2.923 . 0 0 "[ . 1 . 2]" 2
782 1 11 ASN QD 1 21 ALA MB . . 3.970 2.570 1.872 3.299 . 0 0 "[ . 1 . 2]" 2
783 1 13 TYR QD 1 25 LYS QB . . 4.850 3.238 3.096 3.401 . 0 0 "[ . 1 . 2]" 2
784 1 13 TYR QD 1 25 LYS QD . . 3.940 2.168 1.964 2.637 . 0 0 "[ . 1 . 2]" 2
785 1 13 TYR QE 1 25 LYS QB . . 3.490 2.193 2.002 2.451 . 0 0 "[ . 1 . 2]" 2
786 1 13 TYR QE 1 25 LYS QD . . 4.150 2.252 2.002 2.466 . 0 0 "[ . 1 . 2]" 2
787 1 13 TYR QE 1 25 LYS QE . . 4.410 4.027 3.533 4.395 . 0 0 "[ . 1 . 2]" 2
788 1 20 LYS H 1 20 LYS QG . . 4.110 3.946 3.877 3.990 . 0 0 "[ . 1 . 2]" 2
789 1 20 LYS HA 1 20 LYS QE . . 4.700 4.097 3.395 4.628 . 0 0 "[ . 1 . 2]" 2
790 1 20 LYS HB3 1 20 LYS QE . . 4.790 3.954 3.357 4.356 . 0 0 "[ . 1 . 2]" 2
791 1 20 LYS QE 1 20 LYS QG . . 3.140 2.321 2.022 2.584 . 0 0 "[ . 1 . 2]" 2
792 1 20 LYS QG 1 21 ALA H . . 3.410 1.893 1.786 2.014 . 0 0 "[ . 1 . 2]" 2
793 1 20 LYS QG 1 22 PHE QE . . 4.220 3.054 2.628 3.428 . 0 0 "[ . 1 . 2]" 2
794 1 20 LYS QG 1 22 PHE HZ . . 4.360 3.078 2.696 3.481 . 0 0 "[ . 1 . 2]" 2
795 1 20 LYS QE 1 22 PHE HZ . . 4.380 3.990 2.825 4.191 . 0 0 "[ . 1 . 2]" 2
796 1 20 LYS QE 1 31 HIS HE1 . . 4.130 2.987 1.993 4.062 . 0 0 "[ . 1 . 2]" 2
797 1 23 SER QB 1 24 ARG QD . . 4.480 4.294 4.077 4.479 . 0 0 "[ . 1 . 2]" 2
798 1 24 ARG H 1 24 ARG QD . . 4.320 4.236 4.175 4.295 . 0 0 "[ . 1 . 2]" 2
799 1 24 ARG HB2 1 24 ARG QD . . 3.400 2.699 2.646 2.763 . 0 0 "[ . 1 . 2]" 2
800 1 24 ARG HB3 1 24 ARG QD . . 3.220 2.239 2.035 2.537 . 0 0 "[ . 1 . 2]" 2
801 1 24 ARG QD 1 25 LYS H . . 4.850 4.474 4.139 4.796 . 0 0 "[ . 1 . 2]" 2
802 1 24 ARG QD 1 27 GLN H . . 4.710 4.592 4.449 4.693 . 0 0 "[ . 1 . 2]" 2
803 1 24 ARG QD 1 27 GLN HG2 . . 4.770 4.527 4.224 4.680 . 0 0 "[ . 1 . 2]" 2
804 1 24 ARG QD 1 27 GLN HG3 . . 4.670 3.458 3.255 3.615 . 0 0 "[ . 1 . 2]" 2
805 1 25 LYS H 1 25 LYS QB . . 3.560 2.241 2.229 2.252 . 0 0 "[ . 1 . 2]" 2
806 1 25 LYS HA 1 25 LYS QD . . 3.570 2.517 2.225 3.078 . 0 0 "[ . 1 . 2]" 2
807 1 25 LYS QB 1 25 LYS QD . . 3.150 2.170 2.051 2.267 . 0 0 "[ . 1 . 2]" 2
808 1 25 LYS QB 1 26 TYR H . . 3.940 2.391 2.325 2.481 . 0 0 "[ . 1 . 2]" 2
809 1 25 LYS QB 1 29 ILE MD . . 4.150 3.503 3.439 3.620 . 0 0 "[ . 1 . 2]" 2
810 1 25 LYS QE 1 25 LYS HG2 . . 3.420 2.701 2.119 3.226 . 0 0 "[ . 1 . 2]" 2
811 1 25 LYS QE 1 25 LYS HG3 . . 3.730 2.417 2.062 2.693 . 0 0 "[ . 1 . 2]" 2
812 1 25 LYS QD 1 29 ILE MD . . 4.000 2.822 2.108 3.266 . 0 0 "[ . 1 . 2]" 2
813 1 25 LYS QE 1 29 ILE HG13 . . 4.430 3.849 3.484 4.260 . 0 0 "[ . 1 . 2]" 2
814 1 25 LYS QE 1 29 ILE MD . . 3.180 1.977 1.744 2.278 . 0 0 "[ . 1 . 2]" 2
815 1 29 ILE MG 1 30 SER QB . . 4.590 3.804 3.629 3.912 . 0 0 "[ . 1 . 2]" 2
816 1 30 SER H 1 30 SER QB . . 2.740 2.217 2.155 2.263 . 0 0 "[ . 1 . 2]" 2
817 1 30 SER QB 1 31 HIS H . . 3.130 2.725 2.638 2.790 . 0 0 "[ . 1 . 2]" 2
818 1 30 SER QB 1 31 HIS HA . . 4.460 4.084 3.941 4.308 . 0 0 "[ . 1 . 2]" 2
819 1 30 SER QB 1 31 HIS HB2 . . 4.430 4.263 4.179 4.423 . 0 0 "[ . 1 . 2]" 2
820 1 30 SER QB 1 31 HIS HB3 . . 4.740 4.665 4.608 4.758 0.018 7 0 "[ . 1 . 2]" 2
821 1 37 GLY QA 1 38 GLU QB . . 5.340 4.119 3.734 4.599 . 0 0 "[ . 1 . 2]" 2
822 1 37 GLY QA 1 38 GLU QG . . 4.720 3.823 3.337 4.663 . 0 0 "[ . 1 . 2]" 2
823 1 38 GLU H 1 38 GLU QB . . 3.430 2.674 2.201 3.211 . 0 0 "[ . 1 . 2]" 2
824 1 38 GLU H 1 38 GLU QG . . 4.020 2.758 1.926 3.642 . 0 0 "[ . 1 . 2]" 2
825 1 38 GLU QB 1 39 LYS H . . 3.990 3.145 2.015 3.884 . 0 0 "[ . 1 . 2]" 2
826 1 39 LYS H 1 39 LYS QB . . 3.490 2.493 2.271 2.796 . 0 0 "[ . 1 . 2]" 2
827 1 39 LYS QB 1 40 PRO QD . . 3.510 2.544 1.972 3.479 . 0 0 "[ . 1 . 2]" 2
828 1 39 LYS QG 1 40 PRO QD . . 4.750 2.806 1.843 3.742 . 0 0 "[ . 1 . 2]" 2
829 1 42 GLY QA 1 43 PRO QG . . 4.630 3.699 3.660 3.817 . 0 0 "[ . 1 . 2]" 2
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