NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
506120 |
1wfl   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1wfl
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 26
_Distance_constraint_stats_list.Viol_count 297
_Distance_constraint_stats_list.Viol_total 86.894
_Distance_constraint_stats_list.Viol_max 0.051
_Distance_constraint_stats_list.Viol_rms 0.0108
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0084
_Distance_constraint_stats_list.Viol_average_violations_only 0.0146
_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 28 CYS 0.571 0.025 13 0 "[ . 1 . 2]"
1 31 CYS 0.111 0.012 12 0 "[ . 1 . 2]"
1 42 CYS 0.732 0.036 16 0 "[ . 1 . 2]"
1 44 CYS 0.810 0.026 15 0 "[ . 1 . 2]"
1 49 CYS 1.240 0.033 5 0 "[ . 1 . 2]"
1 52 HIS 0.107 0.012 18 0 "[ . 1 . 2]"
1 58 HIS 0.582 0.022 12 0 "[ . 1 . 2]"
1 60 CYS 1.044 0.051 16 0 "[ . 1 . 2]"
2 1 ZN 1.137 0.033 5 0 "[ . 1 . 2]"
3 1 ZN 2.356 0.051 16 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 28 CYS SG 2 1 ZN ZN . 2.330 2.370 2.341 2.320 2.375 0.010 15 0 "[ . 1 . 2]" 1
2 1 31 CYS SG 2 1 ZN ZN . 2.330 2.370 2.341 2.326 2.372 0.004 5 0 "[ . 1 . 2]" 1
3 1 49 CYS SG 2 1 ZN ZN . 2.330 2.370 2.311 2.306 2.320 0.024 17 0 "[ . 1 . 2]" 1
4 1 52 HIS ND1 2 1 ZN ZN . 2.330 2.370 2.357 2.324 2.377 0.007 5 0 "[ . 1 . 2]" 1
5 1 28 CYS CB 2 1 ZN ZN . 3.250 3.510 3.243 3.238 3.262 0.012 3 0 "[ . 1 . 2]" 1
6 1 31 CYS CB 2 1 ZN ZN . 3.250 3.510 3.504 3.430 3.522 0.012 12 0 "[ . 1 . 2]" 1
7 1 49 CYS CB 2 1 ZN ZN . 3.250 3.510 3.531 3.518 3.543 0.033 5 0 "[ . 1 . 2]" 1
8 1 28 CYS SG 1 31 CYS SG . 3.200 4.000 3.428 3.308 3.502 . 0 0 "[ . 1 . 2]" 1
9 1 28 CYS SG 1 49 CYS SG . 3.200 4.000 4.019 4.014 4.025 0.025 13 0 "[ . 1 . 2]" 1
10 1 28 CYS SG 1 52 HIS ND1 . 3.200 4.000 3.867 3.762 3.960 . 0 0 "[ . 1 . 2]" 1
11 1 31 CYS SG 1 52 HIS ND1 . 3.200 4.000 3.861 3.775 3.953 . 0 0 "[ . 1 . 2]" 1
12 1 31 CYS SG 1 49 CYS SG . 3.200 4.000 3.683 3.477 3.867 . 0 0 "[ . 1 . 2]" 1
13 1 49 CYS SG 1 52 HIS ND1 . 3.200 4.000 3.913 3.724 4.012 0.012 18 0 "[ . 1 . 2]" 1
14 1 42 CYS SG 3 1 ZN ZN . 2.330 2.370 2.353 2.330 2.377 0.007 9 0 "[ . 1 . 2]" 1
15 1 44 CYS SG 3 1 ZN ZN . 2.330 2.370 2.321 2.315 2.326 0.015 16 0 "[ . 1 . 2]" 1
16 1 58 HIS NE2 3 1 ZN ZN . 2.330 2.370 2.321 2.315 2.329 0.015 3 0 "[ . 1 . 2]" 1
17 1 60 CYS SG 3 1 ZN ZN . 2.330 2.370 2.382 2.376 2.391 0.021 16 0 "[ . 1 . 2]" 1
18 1 42 CYS CB 3 1 ZN ZN . 3.250 3.510 3.220 3.214 3.233 0.036 16 0 "[ . 1 . 2]" 1
19 1 44 CYS CB 3 1 ZN ZN . 3.250 3.510 3.233 3.224 3.243 0.026 15 0 "[ . 1 . 2]" 1
20 1 60 CYS CB 3 1 ZN ZN . 3.250 3.510 3.210 3.199 3.220 0.051 16 0 "[ . 1 . 2]" 1
21 1 42 CYS SG 1 44 CYS SG . 3.200 4.000 3.778 3.717 3.828 . 0 0 "[ . 1 . 2]" 1
22 1 42 CYS SG 1 60 CYS SG . 3.200 4.000 3.523 3.450 3.624 . 0 0 "[ . 1 . 2]" 1
23 1 42 CYS SG 1 58 HIS NE2 . 3.200 4.000 4.003 3.939 4.015 0.015 18 0 "[ . 1 . 2]" 1
24 1 44 CYS SG 1 58 HIS NE2 . 3.200 4.000 4.014 4.004 4.022 0.022 12 0 "[ . 1 . 2]" 1
25 1 44 CYS SG 1 60 CYS SG . 3.200 4.000 3.962 3.901 4.010 0.010 10 0 "[ . 1 . 2]" 1
26 1 58 HIS NE2 1 60 CYS SG . 3.200 4.000 3.537 3.505 3.559 . 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 1128
_Distance_constraint_stats_list.Viol_count 1254
_Distance_constraint_stats_list.Viol_total 816.968
_Distance_constraint_stats_list.Viol_max 0.211
_Distance_constraint_stats_list.Viol_rms 0.0104
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0018
_Distance_constraint_stats_list.Viol_average_violations_only 0.0326
_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 14 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 LYS 0.273 0.160 12 0 "[ . 1 . 2]"
1 17 ALA 0.017 0.009 12 0 "[ . 1 . 2]"
1 18 PRO 0.002 0.002 19 0 "[ . 1 . 2]"
1 19 GLU 0.331 0.119 20 0 "[ . 1 . 2]"
1 20 LEU 0.691 0.185 3 0 "[ . 1 . 2]"
1 21 PRO 0.077 0.027 7 0 "[ . 1 . 2]"
1 22 LYS 0.001 0.001 1 0 "[ . 1 . 2]"
1 23 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 24 LYS 0.281 0.099 6 0 "[ . 1 . 2]"
1 25 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 ASN 0.085 0.023 12 0 "[ . 1 . 2]"
1 27 ARG 0.675 0.042 19 0 "[ . 1 . 2]"
1 28 CYS 0.380 0.042 19 0 "[ . 1 . 2]"
1 29 PHE 4.460 0.102 20 0 "[ . 1 . 2]"
1 30 MET 4.302 0.176 15 0 "[ . 1 . 2]"
1 31 CYS 0.807 0.063 12 0 "[ . 1 . 2]"
1 32 ARG 0.402 0.085 19 0 "[ . 1 . 2]"
1 33 LYS 1.521 0.081 8 0 "[ . 1 . 2]"
1 34 LYS 0.390 0.036 1 0 "[ . 1 . 2]"
1 35 VAL 0.740 0.069 16 0 "[ . 1 . 2]"
1 36 GLY 0.035 0.018 12 0 "[ . 1 . 2]"
1 37 LEU 0.706 0.127 19 0 "[ . 1 . 2]"
1 38 THR 0.000 0.000 20 0 "[ . 1 . 2]"
1 39 GLY 0.765 0.127 19 0 "[ . 1 . 2]"
1 40 PHE 2.593 0.092 13 0 "[ . 1 . 2]"
1 41 ASP 0.444 0.053 18 0 "[ . 1 . 2]"
1 42 CYS 3.424 0.076 16 0 "[ . 1 . 2]"
1 43 ARG 2.039 0.070 6 0 "[ . 1 . 2]"
1 44 CYS 1.831 0.060 6 0 "[ . 1 . 2]"
1 45 GLY 0.377 0.044 5 0 "[ . 1 . 2]"
1 46 ASN 1.739 0.044 8 0 "[ . 1 . 2]"
1 47 LEU 3.411 0.102 20 0 "[ . 1 . 2]"
1 48 PHE 1.048 0.062 7 0 "[ . 1 . 2]"
1 49 CYS 2.600 0.080 10 0 "[ . 1 . 2]"
1 50 GLY 2.011 0.092 13 0 "[ . 1 . 2]"
1 51 LEU 2.915 0.128 12 0 "[ . 1 . 2]"
1 52 HIS 7.143 0.128 12 0 "[ . 1 . 2]"
1 53 ARG 1.703 0.066 10 0 "[ . 1 . 2]"
1 54 TYR 1.430 0.083 12 0 "[ . 1 . 2]"
1 55 SER 0.799 0.119 13 0 "[ . 1 . 2]"
1 56 ASP 0.092 0.051 20 0 "[ . 1 . 2]"
1 57 LYS 1.240 0.066 16 0 "[ . 1 . 2]"
1 58 HIS 2.381 0.076 16 0 "[ . 1 . 2]"
1 59 ASN 1.973 0.176 15 0 "[ . 1 . 2]"
1 60 CYS 0.992 0.119 13 0 "[ . 1 . 2]"
1 61 PRO 0.819 0.060 5 0 "[ . 1 . 2]"
1 62 TYR 7.335 0.211 7 0 "[ . 1 . 2]"
1 63 ASP 2.857 0.152 17 0 "[ . 1 . 2]"
1 64 TYR 2.695 0.151 20 0 "[ . 1 . 2]"
1 65 LYS 0.404 0.079 8 0 "[ . 1 . 2]"
1 66 ALA 0.039 0.028 19 0 "[ . 1 . 2]"
1 67 GLU 0.689 0.085 7 0 "[ . 1 . 2]"
1 68 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 69 SER 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 16 LYS HA 1 17 ALA H . . 2.830 2.306 2.141 2.609 . 0 0 "[ . 1 . 2]" 2
2 1 17 ALA H 1 17 ALA MB . . 3.180 2.660 2.198 2.897 . 0 0 "[ . 1 . 2]" 2
3 1 40 PHE QD 1 41 ASP H . . 4.440 3.525 3.310 3.791 . 0 0 "[ . 1 . 2]" 2
4 1 40 PHE HA 1 41 ASP H . . 3.020 2.140 2.137 2.148 . 0 0 "[ . 1 . 2]" 2
5 1 40 PHE HB2 1 41 ASP H . . 4.830 4.516 4.448 4.576 . 0 0 "[ . 1 . 2]" 2
6 1 20 LEU H 1 21 PRO HD3 . . 5.100 5.010 4.879 5.081 . 0 0 "[ . 1 . 2]" 2
7 1 19 GLU HA 1 20 LEU H . . 2.600 2.273 2.139 2.709 0.109 20 0 "[ . 1 . 2]" 2
8 1 19 GLU QG 1 20 LEU H . . 4.680 3.600 1.979 4.437 . 0 0 "[ . 1 . 2]" 2
9 1 19 GLU HB3 1 20 LEU H . . 4.460 3.656 2.313 4.277 . 0 0 "[ . 1 . 2]" 2
10 1 20 LEU H 1 20 LEU MD1 . . 4.750 3.516 2.095 4.250 . 0 0 "[ . 1 . 2]" 2
11 1 20 LEU H 1 20 LEU MD2 . . 4.750 3.210 1.767 4.370 . 0 0 "[ . 1 . 2]" 2
12 1 67 GLU HB3 1 68 ALA H . . 4.760 3.507 2.341 4.641 . 0 0 "[ . 1 . 2]" 2
13 1 67 GLU HB2 1 68 ALA H . . 4.760 3.804 2.359 4.640 . 0 0 "[ . 1 . 2]" 2
14 1 68 ALA H 1 68 ALA MB . . 3.550 2.456 2.031 2.885 . 0 0 "[ . 1 . 2]" 2
15 1 42 CYS H 1 48 PHE H . . 4.530 4.470 4.342 4.568 0.038 13 0 "[ . 1 . 2]" 2
16 1 42 CYS H 1 58 HIS HE1 . . 5.500 5.555 5.522 5.576 0.076 16 0 "[ . 1 . 2]" 2
17 1 42 CYS H 1 48 PHE HD1 . . 4.280 3.004 2.894 3.111 . 0 0 "[ . 1 . 2]" 2
18 1 40 PHE QD 1 42 CYS H . . 4.960 4.389 4.205 4.555 . 0 0 "[ . 1 . 2]" 2
19 1 42 CYS H 1 46 ASN H . . 4.060 2.928 2.798 3.033 . 0 0 "[ . 1 . 2]" 2
20 1 42 CYS H 1 48 PHE HZ . . 5.500 5.539 5.505 5.562 0.062 7 0 "[ . 1 . 2]" 2
21 1 41 ASP HA 1 42 CYS H . . 2.670 2.143 2.139 2.153 . 0 0 "[ . 1 . 2]" 2
22 1 42 CYS H 1 47 LEU HA . . 3.600 3.496 3.409 3.581 . 0 0 "[ . 1 . 2]" 2
23 1 42 CYS H 1 42 CYS HB3 . . 3.080 2.592 2.577 2.602 . 0 0 "[ . 1 . 2]" 2
24 1 42 CYS H 1 42 CYS HB2 . . 3.080 2.589 2.554 2.647 . 0 0 "[ . 1 . 2]" 2
25 1 41 ASP HB2 1 42 CYS H . . 4.510 4.145 3.571 4.504 . 0 0 "[ . 1 . 2]" 2
26 1 41 ASP HB3 1 42 CYS H . . 4.510 4.001 3.526 4.507 . 0 0 "[ . 1 . 2]" 2
27 1 42 CYS H 1 47 LEU HB2 . . 5.430 5.410 5.294 5.475 0.045 8 0 "[ . 1 . 2]" 2
28 1 42 CYS H 1 47 LEU MD1 . . 4.940 4.822 4.742 4.935 . 0 0 "[ . 1 . 2]" 2
29 1 50 GLY H 1 53 ARG H . . 4.690 3.188 3.109 3.259 . 0 0 "[ . 1 . 2]" 2
30 1 35 VAL MG1 1 50 GLY H . . 4.720 4.306 4.168 4.483 . 0 0 "[ . 1 . 2]" 2
31 1 47 LEU MD1 1 50 GLY H . . 5.220 4.887 4.817 4.945 . 0 0 "[ . 1 . 2]" 2
32 1 33 LYS H 1 34 LYS H . . 4.700 4.465 4.389 4.537 . 0 0 "[ . 1 . 2]" 2
33 1 34 LYS H 1 35 VAL H . . 4.710 4.404 4.360 4.483 . 0 0 "[ . 1 . 2]" 2
34 1 33 LYS HA 1 34 LYS H . . 2.700 2.224 2.161 2.287 . 0 0 "[ . 1 . 2]" 2
35 1 33 LYS QE 1 34 LYS H . . 4.880 4.427 4.048 4.886 0.006 1 0 "[ . 1 . 2]" 2
36 1 34 LYS H 1 34 LYS HB2 . . 3.430 2.356 2.157 2.660 . 0 0 "[ . 1 . 2]" 2
37 1 34 LYS H 1 34 LYS HB3 . . 3.430 2.730 2.399 2.995 . 0 0 "[ . 1 . 2]" 2
38 1 27 ARG HG2 1 34 LYS H . . 3.550 3.176 2.814 3.470 . 0 0 "[ . 1 . 2]" 2
39 1 27 ARG HG3 1 34 LYS H . . 5.100 4.699 4.288 5.064 . 0 0 "[ . 1 . 2]" 2
40 1 27 ARG HA 1 34 LYS H . . 4.750 4.592 4.234 4.766 0.016 6 0 "[ . 1 . 2]" 2
41 1 15 GLU HA 1 16 LYS H . . 2.850 2.260 2.138 2.810 . 0 0 "[ . 1 . 2]" 2
42 1 16 LYS H 1 16 LYS QD . . 4.230 3.718 1.985 4.390 0.160 12 0 "[ . 1 . 2]" 2
43 1 16 LYS H 1 16 LYS QG . . 4.180 3.306 2.152 4.166 . 0 0 "[ . 1 . 2]" 2
44 1 21 PRO HA 1 22 LYS H . . 2.570 2.222 2.150 2.515 . 0 0 "[ . 1 . 2]" 2
45 1 22 LYS H 1 23 PRO QD . . 4.380 4.202 3.532 4.378 . 0 0 "[ . 1 . 2]" 2
46 1 21 PRO HB2 1 22 LYS H . . 4.300 3.400 2.338 3.954 . 0 0 "[ . 1 . 2]" 2
47 1 21 PRO HB3 1 22 LYS H . . 4.300 3.931 3.320 4.301 0.001 1 0 "[ . 1 . 2]" 2
48 1 64 TYR QD 1 65 LYS H . . 4.330 2.421 1.887 2.965 . 0 0 "[ . 1 . 2]" 2
49 1 63 ASP HA 1 65 LYS H . . 4.400 3.373 3.191 3.606 . 0 0 "[ . 1 . 2]" 2
50 1 64 TYR HA 1 65 LYS H . . 3.530 3.506 3.474 3.542 0.012 17 0 "[ . 1 . 2]" 2
51 1 64 TYR HB3 1 65 LYS H . . 4.460 3.919 3.815 4.001 . 0 0 "[ . 1 . 2]" 2
52 1 65 LYS H 1 65 LYS QE . . 4.760 3.842 2.412 4.466 . 0 0 "[ . 1 . 2]" 2
53 1 65 LYS H 1 65 LYS QB . . 3.030 2.554 2.422 2.858 . 0 0 "[ . 1 . 2]" 2
54 1 65 LYS H 1 65 LYS QG . . 3.450 2.106 1.846 2.759 . 0 0 "[ . 1 . 2]" 2
55 1 64 TYR H 1 64 TYR QE . . 5.040 4.246 4.129 4.393 . 0 0 "[ . 1 . 2]" 2
56 1 62 TYR QD 1 64 TYR H . . 4.130 2.271 1.895 2.438 . 0 0 "[ . 1 . 2]" 2
57 1 63 ASP HA 1 64 TYR H . . 3.360 3.261 3.118 3.411 0.051 18 0 "[ . 1 . 2]" 2
58 1 64 TYR H 1 65 LYS HA . . 5.500 5.482 5.411 5.539 0.039 12 0 "[ . 1 . 2]" 2
59 1 62 TYR HB3 1 64 TYR H . . 3.200 2.815 2.566 2.958 . 0 0 "[ . 1 . 2]" 2
60 1 62 TYR HB2 1 64 TYR H . . 4.830 4.393 4.246 4.503 . 0 0 "[ . 1 . 2]" 2
61 1 43 ARG HB2 1 64 TYR H . . 4.970 4.812 4.535 5.020 0.050 18 0 "[ . 1 . 2]" 2
62 1 43 ARG HG3 1 64 TYR H . . 5.500 5.317 5.077 5.529 0.029 19 0 "[ . 1 . 2]" 2
63 1 64 TYR H 1 65 LYS QG . . 5.500 4.090 3.927 4.820 . 0 0 "[ . 1 . 2]" 2
64 1 62 TYR H 1 63 ASP H . . 4.720 4.622 4.553 4.639 . 0 0 "[ . 1 . 2]" 2
65 1 62 TYR HB3 1 63 ASP H . . 4.210 2.748 2.413 2.880 . 0 0 "[ . 1 . 2]" 2
66 1 62 TYR HB2 1 63 ASP H . . 4.040 3.883 3.683 3.960 . 0 0 "[ . 1 . 2]" 2
67 1 63 ASP H 1 63 ASP HB2 . . 3.730 3.169 2.590 3.856 0.126 6 0 "[ . 1 . 2]" 2
68 1 43 ARG HB2 1 63 ASP H . . 5.500 5.515 5.382 5.554 0.054 16 0 "[ . 1 . 2]" 2
69 1 22 LYS HB3 1 24 LYS H . . 4.750 3.430 2.330 4.746 . 0 0 "[ . 1 . 2]" 2
70 1 24 LYS H 1 24 LYS QG . . 4.240 2.941 1.900 4.339 0.099 6 0 "[ . 1 . 2]" 2
71 1 62 TYR H 1 64 TYR QE . . 5.100 4.914 4.332 5.162 0.062 16 0 "[ . 1 . 2]" 2
72 1 62 TYR H 1 62 TYR QD . . 3.550 3.443 3.369 3.511 . 0 0 "[ . 1 . 2]" 2
73 1 61 PRO HD3 1 62 TYR H . . 3.970 3.839 3.836 3.848 . 0 0 "[ . 1 . 2]" 2
74 1 44 CYS HB3 1 62 TYR H . . 3.720 2.706 2.640 2.772 . 0 0 "[ . 1 . 2]" 2
75 1 62 TYR H 1 62 TYR HB3 . . 3.240 3.195 3.161 3.232 . 0 0 "[ . 1 . 2]" 2
76 1 62 TYR H 1 62 TYR HB2 . . 2.930 2.092 2.086 2.099 . 0 0 "[ . 1 . 2]" 2
77 1 60 CYS HB2 1 62 TYR H . . 5.030 4.859 4.758 4.956 . 0 0 "[ . 1 . 2]" 2
78 1 61 PRO HG3 1 62 TYR H . . 4.100 3.901 3.823 3.999 . 0 0 "[ . 1 . 2]" 2
79 1 61 PRO HG2 1 62 TYR H . . 3.510 2.396 2.291 2.529 . 0 0 "[ . 1 . 2]" 2
80 1 29 PHE H 1 47 LEU H . . 4.350 3.986 3.921 4.025 . 0 0 "[ . 1 . 2]" 2
81 1 47 LEU H 1 48 PHE H . . 4.690 4.448 4.407 4.480 . 0 0 "[ . 1 . 2]" 2
82 1 46 ASN H 1 47 LEU H . . 4.610 4.440 4.431 4.452 . 0 0 "[ . 1 . 2]" 2
83 1 28 CYS HA 1 47 LEU H . . 5.500 5.079 4.986 5.167 . 0 0 "[ . 1 . 2]" 2
84 1 29 PHE HA 1 47 LEU H . . 5.500 4.785 4.708 4.923 . 0 0 "[ . 1 . 2]" 2
85 1 29 PHE HB3 1 47 LEU H . . 3.780 2.343 2.283 2.404 . 0 0 "[ . 1 . 2]" 2
86 1 46 ASN HB3 1 47 LEU H . . 3.160 2.325 2.245 2.409 . 0 0 "[ . 1 . 2]" 2
87 1 47 LEU H 1 47 LEU HB3 . . 2.960 2.435 2.413 2.464 . 0 0 "[ . 1 . 2]" 2
88 1 47 LEU H 1 47 LEU HB2 . . 3.340 3.168 3.075 3.252 . 0 0 "[ . 1 . 2]" 2
89 1 47 LEU H 1 47 LEU HG . . 4.370 4.247 4.182 4.334 . 0 0 "[ . 1 . 2]" 2
90 1 47 LEU H 1 47 LEU MD2 . . 4.290 4.286 4.216 4.331 0.041 13 0 "[ . 1 . 2]" 2
91 1 28 CYS H 1 29 PHE H . . 4.680 4.642 4.637 4.644 . 0 0 "[ . 1 . 2]" 2
92 1 28 CYS H 1 49 CYS H . . 5.010 4.942 4.818 5.033 0.023 10 0 "[ . 1 . 2]" 2
93 1 28 CYS H 1 33 LYS H . . 3.410 2.349 2.207 2.491 . 0 0 "[ . 1 . 2]" 2
94 1 28 CYS H 1 48 PHE HA . . 5.070 5.016 4.960 5.057 . 0 0 "[ . 1 . 2]" 2
95 1 27 ARG HA 1 28 CYS H . . 2.740 2.230 2.193 2.293 . 0 0 "[ . 1 . 2]" 2
96 1 28 CYS H 1 33 LYS HA . . 4.650 4.332 4.227 4.477 . 0 0 "[ . 1 . 2]" 2
97 1 28 CYS H 1 28 CYS HB3 . . 2.940 2.755 2.723 2.791 . 0 0 "[ . 1 . 2]" 2
98 1 28 CYS H 1 28 CYS HB2 . . 2.990 2.339 2.327 2.353 . 0 0 "[ . 1 . 2]" 2
99 1 28 CYS H 1 33 LYS HB2 . . 5.500 5.046 4.882 5.251 . 0 0 "[ . 1 . 2]" 2
100 1 28 CYS H 1 35 VAL HB . . 5.500 5.195 5.003 5.333 . 0 0 "[ . 1 . 2]" 2
101 1 27 ARG HB3 1 28 CYS H . . 3.370 3.011 2.819 3.131 . 0 0 "[ . 1 . 2]" 2
102 1 28 CYS H 1 35 VAL MG1 . . 3.290 2.184 1.986 2.303 . 0 0 "[ . 1 . 2]" 2
103 1 27 ARG HD3 1 28 CYS H . . 4.850 4.731 4.539 4.837 . 0 0 "[ . 1 . 2]" 2
104 1 28 CYS H 1 33 LYS HB3 . . 4.210 3.841 3.640 4.087 . 0 0 "[ . 1 . 2]" 2
105 1 42 CYS H 1 47 LEU H . . 4.910 4.912 4.872 4.954 0.044 13 0 "[ . 1 . 2]" 2
106 1 27 ARG HA 1 33 LYS H . . 4.520 4.126 4.015 4.292 . 0 0 "[ . 1 . 2]" 2
107 1 32 ARG HA 1 33 LYS H . . 3.390 2.624 2.615 2.712 . 0 0 "[ . 1 . 2]" 2
108 1 28 CYS HB3 1 33 LYS H . . 3.010 1.840 1.809 1.872 . 0 0 "[ . 1 . 2]" 2
109 1 28 CYS HB2 1 33 LYS H . . 3.380 2.502 2.409 2.564 . 0 0 "[ . 1 . 2]" 2
110 1 31 CYS HB3 1 33 LYS H . . 5.250 5.212 5.028 5.257 0.007 12 0 "[ . 1 . 2]" 2
111 1 32 ARG HB2 1 33 LYS H . . 5.040 4.359 4.289 4.391 . 0 0 "[ . 1 . 2]" 2
112 1 33 LYS H 1 33 LYS HB3 . . 3.040 2.488 2.419 2.553 . 0 0 "[ . 1 . 2]" 2
113 1 18 PRO HA 1 19 GLU H . . 2.700 2.241 2.151 2.440 . 0 0 "[ . 1 . 2]" 2
114 1 18 PRO HB2 1 19 GLU H . . 4.280 3.314 2.517 3.927 . 0 0 "[ . 1 . 2]" 2
115 1 19 GLU H 1 19 GLU QG . . 4.410 3.144 1.903 4.321 . 0 0 "[ . 1 . 2]" 2
116 1 18 PRO HB3 1 19 GLU H . . 4.280 3.879 3.405 4.282 0.002 19 0 "[ . 1 . 2]" 2
117 1 39 GLY H 1 40 PHE H . . 4.750 4.610 4.579 4.648 . 0 0 "[ . 1 . 2]" 2
118 1 40 PHE H 1 40 PHE QD . . 4.400 4.363 4.291 4.405 0.005 3 0 "[ . 1 . 2]" 2
119 1 39 GLY HA2 1 40 PHE H . . 2.870 2.357 2.270 2.431 . 0 0 "[ . 1 . 2]" 2
120 1 39 GLY HA3 1 40 PHE H . . 3.010 2.794 2.703 2.911 . 0 0 "[ . 1 . 2]" 2
121 1 40 PHE H 1 40 PHE HB2 . . 3.210 2.804 2.683 2.886 . 0 0 "[ . 1 . 2]" 2
122 1 35 VAL HB 1 40 PHE H . . 4.390 4.286 4.149 4.406 0.016 3 0 "[ . 1 . 2]" 2
123 1 40 PHE H 1 47 LEU MD1 . . 3.110 1.817 1.749 1.866 . 0 0 "[ . 1 . 2]" 2
124 1 40 PHE H 1 48 PHE HD1 . . 5.050 4.808 4.717 4.901 . 0 0 "[ . 1 . 2]" 2
125 1 40 PHE H 1 41 ASP H . . 4.290 4.162 4.071 4.286 . 0 0 "[ . 1 . 2]" 2
126 1 40 PHE H 1 49 CYS HA . . 4.420 3.909 3.741 4.075 . 0 0 "[ . 1 . 2]" 2
127 1 40 PHE H 1 40 PHE HB3 . . 3.270 3.139 3.099 3.202 . 0 0 "[ . 1 . 2]" 2
128 1 40 PHE H 1 48 PHE HB2 . . 4.430 4.062 3.973 4.243 . 0 0 "[ . 1 . 2]" 2
129 1 40 PHE H 1 53 ARG QB . . 5.200 5.143 5.022 5.218 0.018 4 0 "[ . 1 . 2]" 2
130 1 40 PHE H 1 47 LEU HG . . 4.160 3.598 3.493 3.713 . 0 0 "[ . 1 . 2]" 2
131 1 59 ASN H 1 60 CYS H . . 4.250 2.849 2.823 2.888 . 0 0 "[ . 1 . 2]" 2
132 1 58 HIS H 1 60 CYS H . . 4.550 3.444 3.311 3.500 . 0 0 "[ . 1 . 2]" 2
133 1 56 ASP HA 1 60 CYS H . . 4.510 4.119 3.948 4.306 . 0 0 "[ . 1 . 2]" 2
134 1 55 SER HA 1 60 CYS H . . 3.940 2.978 2.845 3.100 . 0 0 "[ . 1 . 2]" 2
135 1 60 CYS H 1 60 CYS HB3 . . 3.370 2.686 2.652 2.748 . 0 0 "[ . 1 . 2]" 2
136 1 60 CYS H 1 60 CYS HB2 . . 3.330 2.383 2.351 2.410 . 0 0 "[ . 1 . 2]" 2
137 1 28 CYS HA 1 48 PHE H . . 4.670 4.267 4.179 4.356 . 0 0 "[ . 1 . 2]" 2
138 1 48 PHE H 1 49 CYS H . . 4.570 4.426 4.400 4.451 . 0 0 "[ . 1 . 2]" 2
139 1 40 PHE H 1 48 PHE H . . 3.500 2.346 2.251 2.410 . 0 0 "[ . 1 . 2]" 2
140 1 48 PHE H 1 48 PHE HD1 . . 4.110 2.807 2.670 2.901 . 0 0 "[ . 1 . 2]" 2
141 1 40 PHE QD 1 48 PHE H . . 4.960 4.667 4.535 4.763 . 0 0 "[ . 1 . 2]" 2
142 1 48 PHE H 1 48 PHE HE1 . . 5.070 4.948 4.799 5.027 . 0 0 "[ . 1 . 2]" 2
143 1 41 ASP HA 1 48 PHE H . . 3.980 3.859 3.757 3.913 . 0 0 "[ . 1 . 2]" 2
144 1 47 LEU HA 1 48 PHE H . . 2.790 2.189 2.164 2.212 . 0 0 "[ . 1 . 2]" 2
145 1 39 GLY HA2 1 48 PHE H . . 4.540 4.380 4.304 4.454 . 0 0 "[ . 1 . 2]" 2
146 1 48 PHE H 1 48 PHE HB3 . . 3.920 3.860 3.827 3.888 . 0 0 "[ . 1 . 2]" 2
147 1 40 PHE HB3 1 48 PHE H . . 4.170 2.965 2.819 3.064 . 0 0 "[ . 1 . 2]" 2
148 1 40 PHE HB2 1 48 PHE H . . 4.360 3.763 3.681 3.847 . 0 0 "[ . 1 . 2]" 2
149 1 48 PHE H 1 48 PHE HB2 . . 3.320 2.788 2.732 2.837 . 0 0 "[ . 1 . 2]" 2
150 1 47 LEU HB3 1 48 PHE H . . 4.260 4.189 4.085 4.272 0.012 6 0 "[ . 1 . 2]" 2
151 1 47 LEU HB2 1 48 PHE H . . 4.040 3.972 3.918 4.021 . 0 0 "[ . 1 . 2]" 2
152 1 47 LEU HG 1 48 PHE H . . 3.530 2.980 2.821 3.170 . 0 0 "[ . 1 . 2]" 2
153 1 47 LEU MD1 1 48 PHE H . . 3.030 2.206 1.889 2.398 . 0 0 "[ . 1 . 2]" 2
154 1 67 GLU H 1 67 GLU QG . . 4.070 3.168 1.883 4.076 0.006 6 0 "[ . 1 . 2]" 2
155 1 67 GLU H 1 67 GLU HB2 . . 4.000 2.664 2.181 3.917 . 0 0 "[ . 1 . 2]" 2
156 1 67 GLU H 1 67 GLU HB3 . . 4.000 3.138 2.283 3.735 . 0 0 "[ . 1 . 2]" 2
157 1 65 LYS QB 1 67 GLU H . . 5.260 4.936 4.301 5.221 . 0 0 "[ . 1 . 2]" 2
158 1 66 ALA MB 1 67 GLU H . . 3.740 3.135 2.258 3.716 . 0 0 "[ . 1 . 2]" 2
159 1 50 GLY H 1 51 LEU H . . 3.680 3.057 2.990 3.188 . 0 0 "[ . 1 . 2]" 2
160 1 49 CYS HA 1 51 LEU H . . 4.500 4.208 4.173 4.271 . 0 0 "[ . 1 . 2]" 2
161 1 50 GLY HA3 1 51 LEU H . . 3.490 2.936 2.848 2.974 . 0 0 "[ . 1 . 2]" 2
162 1 48 PHE HB3 1 51 LEU H . . 4.620 4.459 4.390 4.600 . 0 0 "[ . 1 . 2]" 2
163 1 51 LEU H 1 51 LEU HG . . 3.660 2.868 2.044 3.560 . 0 0 "[ . 1 . 2]" 2
164 1 51 LEU H 1 51 LEU MD2 . . 4.230 3.826 3.020 4.133 . 0 0 "[ . 1 . 2]" 2
165 1 57 LYS H 1 59 ASN H . . 4.520 3.201 3.105 3.479 . 0 0 "[ . 1 . 2]" 2
166 1 58 HIS HB2 1 59 ASN H . . 5.030 4.491 4.484 4.500 . 0 0 "[ . 1 . 2]" 2
167 1 55 SER HA 1 59 ASN H . . 4.860 4.776 4.635 4.863 0.003 18 0 "[ . 1 . 2]" 2
168 1 58 HIS HB3 1 59 ASN H . . 5.130 4.481 4.461 4.499 . 0 0 "[ . 1 . 2]" 2
169 1 59 ASN H 1 60 CYS HB2 . . 5.500 4.895 4.873 4.927 . 0 0 "[ . 1 . 2]" 2
170 1 27 ARG H 1 28 CYS H . . 4.510 4.400 4.364 4.440 . 0 0 "[ . 1 . 2]" 2
171 1 25 LYS H 1 27 ARG H . . 4.930 3.969 3.110 4.631 . 0 0 "[ . 1 . 2]" 2
172 1 26 ASN HA 1 27 ARG H . . 3.340 2.754 2.626 2.959 . 0 0 "[ . 1 . 2]" 2
173 1 24 LYS HA 1 27 ARG H . . 5.500 4.338 3.093 5.512 0.012 18 0 "[ . 1 . 2]" 2
174 1 27 ARG H 1 27 ARG HD2 . . 5.070 5.047 4.958 5.098 0.028 3 0 "[ . 1 . 2]" 2
175 1 26 ASN HB3 1 27 ARG H . . 4.840 4.619 4.176 4.668 . 0 0 "[ . 1 . 2]" 2
176 1 27 ARG H 1 27 ARG HB2 . . 3.360 2.561 2.444 2.635 . 0 0 "[ . 1 . 2]" 2
177 1 27 ARG H 1 27 ARG HB3 . . 3.690 3.637 3.594 3.691 0.001 9 0 "[ . 1 . 2]" 2
178 1 27 ARG H 1 47 LEU MD2 . . 3.480 2.388 2.216 2.561 . 0 0 "[ . 1 . 2]" 2
179 1 54 TYR H 1 54 TYR QE . . 4.750 3.741 3.685 3.844 . 0 0 "[ . 1 . 2]" 2
180 1 54 TYR H 1 54 TYR HB3 . . 3.600 3.590 3.557 3.597 . 0 0 "[ . 1 . 2]" 2
181 1 53 ARG HG2 1 54 TYR H . . 3.840 2.070 1.905 2.423 . 0 0 "[ . 1 . 2]" 2
182 1 54 TYR H 1 54 TYR QD . . 3.480 1.959 1.879 2.218 . 0 0 "[ . 1 . 2]" 2
183 1 54 TYR H 1 54 TYR HB2 . . 3.340 2.727 2.646 2.795 . 0 0 "[ . 1 . 2]" 2
184 1 54 TYR H 1 57 LYS HB2 . . 4.020 3.472 3.164 3.540 . 0 0 "[ . 1 . 2]" 2
185 1 54 TYR H 1 57 LYS HG2 . . 4.630 4.592 4.319 4.668 0.038 13 0 "[ . 1 . 2]" 2
186 1 53 ARG QB 1 54 TYR H . . 4.250 3.290 3.215 3.579 . 0 0 "[ . 1 . 2]" 2
187 1 54 TYR H 1 57 LYS HG3 . . 4.560 3.572 3.402 3.712 . 0 0 "[ . 1 . 2]" 2
188 1 53 ARG HG3 1 54 TYR H . . 3.670 2.219 2.045 3.016 . 0 0 "[ . 1 . 2]" 2
189 1 53 ARG H 1 54 TYR QD . . 4.640 3.721 3.598 4.272 . 0 0 "[ . 1 . 2]" 2
190 1 53 ARG H 1 54 TYR H . . 3.360 3.045 2.890 3.117 . 0 0 "[ . 1 . 2]" 2
191 1 51 LEU HA 1 53 ARG H . . 4.530 4.248 4.203 4.328 . 0 0 "[ . 1 . 2]" 2
192 1 50 GLY HA2 1 53 ARG H . . 3.890 3.108 3.056 3.151 . 0 0 "[ . 1 . 2]" 2
193 1 48 PHE HB3 1 53 ARG H . . 3.520 2.771 2.610 2.861 . 0 0 "[ . 1 . 2]" 2
194 1 40 PHE HB3 1 53 ARG H . . 4.580 4.357 4.279 4.456 . 0 0 "[ . 1 . 2]" 2
195 1 40 PHE HB2 1 53 ARG H . . 4.710 4.704 4.558 4.754 0.044 12 0 "[ . 1 . 2]" 2
196 1 48 PHE HB2 1 53 ARG H . . 3.940 3.249 3.038 3.434 . 0 0 "[ . 1 . 2]" 2
197 1 53 ARG H 1 53 ARG HD2 . . 4.790 4.572 4.405 4.635 . 0 0 "[ . 1 . 2]" 2
198 1 53 ARG H 1 53 ARG HD3 . . 4.080 3.798 3.663 3.890 . 0 0 "[ . 1 . 2]" 2
199 1 53 ARG H 1 53 ARG QB . . 2.920 2.374 2.326 2.397 . 0 0 "[ . 1 . 2]" 2
200 1 53 ARG H 1 53 ARG HG2 . . 3.070 2.457 2.382 2.572 . 0 0 "[ . 1 . 2]" 2
201 1 53 ARG H 1 53 ARG HG3 . . 4.060 3.768 3.688 3.872 . 0 0 "[ . 1 . 2]" 2
202 1 56 ASP H 1 57 LYS H . . 3.140 2.688 2.620 2.782 . 0 0 "[ . 1 . 2]" 2
203 1 54 TYR H 1 57 LYS H . . 5.190 5.183 4.918 5.240 0.050 2 0 "[ . 1 . 2]" 2
204 1 57 LYS H 1 58 HIS HA . . 5.140 4.766 4.666 5.053 . 0 0 "[ . 1 . 2]" 2
205 1 54 TYR HA 1 57 LYS H . . 5.200 4.881 4.758 4.938 . 0 0 "[ . 1 . 2]" 2
206 1 57 LYS H 1 59 ASN HA . . 5.500 4.783 4.669 5.037 . 0 0 "[ . 1 . 2]" 2
207 1 54 TYR HB3 1 57 LYS H . . 3.890 3.800 3.457 3.947 0.057 10 0 "[ . 1 . 2]" 2
208 1 55 SER HA 1 57 LYS H . . 4.290 3.555 3.504 3.618 . 0 0 "[ . 1 . 2]" 2
209 1 56 ASP HB3 1 57 LYS H . . 4.520 4.249 3.477 4.532 0.012 20 0 "[ . 1 . 2]" 2
210 1 54 TYR HB2 1 57 LYS H . . 3.690 3.155 2.912 3.333 . 0 0 "[ . 1 . 2]" 2
211 1 57 LYS H 1 57 LYS HB2 . . 3.020 2.378 2.249 2.442 . 0 0 "[ . 1 . 2]" 2
212 1 57 LYS H 1 57 LYS HG2 . . 3.310 3.264 2.945 3.376 0.066 16 0 "[ . 1 . 2]" 2
213 1 56 ASP H 1 57 LYS HB2 . . 5.010 4.321 4.214 4.617 . 0 0 "[ . 1 . 2]" 2
214 1 56 ASP H 1 58 HIS H . . 4.850 4.574 4.406 4.704 . 0 0 "[ . 1 . 2]" 2
215 1 55 SER HB3 1 56 ASP H . . 4.500 4.082 3.757 4.215 . 0 0 "[ . 1 . 2]" 2
216 1 54 TYR HB3 1 56 ASP H . . 4.520 2.925 2.749 3.438 . 0 0 "[ . 1 . 2]" 2
217 1 56 ASP H 1 56 ASP HB3 . . 3.860 3.333 2.533 3.675 . 0 0 "[ . 1 . 2]" 2
218 1 45 GLY H 1 46 ASN H . . 3.010 2.499 2.438 2.575 . 0 0 "[ . 1 . 2]" 2
219 1 46 ASN H 1 48 PHE HZ . . 5.220 5.171 5.072 5.238 0.018 5 0 "[ . 1 . 2]" 2
220 1 46 ASN H 1 46 ASN HD21 . . 4.430 4.344 4.256 4.423 . 0 0 "[ . 1 . 2]" 2
221 1 44 CYS HA 1 46 ASN H . . 5.190 5.212 5.185 5.232 0.042 15 0 "[ . 1 . 2]" 2
222 1 45 GLY HA2 1 46 ASN H . . 3.530 2.770 2.737 2.802 . 0 0 "[ . 1 . 2]" 2
223 1 42 CYS HB3 1 46 ASN H . . 3.710 2.717 2.643 2.786 . 0 0 "[ . 1 . 2]" 2
224 1 42 CYS HB2 1 46 ASN H . . 4.240 4.129 4.049 4.206 . 0 0 "[ . 1 . 2]" 2
225 1 46 ASN H 1 46 ASN HB2 . . 3.190 2.586 2.550 2.623 . 0 0 "[ . 1 . 2]" 2
226 1 46 ASN H 1 46 ASN HB3 . . 3.680 3.672 3.645 3.690 0.010 2 0 "[ . 1 . 2]" 2
227 1 31 CYS H 1 49 CYS H . . 5.310 5.008 4.932 5.070 . 0 0 "[ . 1 . 2]" 2
228 1 28 CYS HB2 1 31 CYS H . . 4.020 3.888 3.837 3.934 . 0 0 "[ . 1 . 2]" 2
229 1 31 CYS H 1 31 CYS HB3 . . 3.460 2.919 2.897 2.964 . 0 0 "[ . 1 . 2]" 2
230 1 30 MET QB 1 31 CYS H . . 2.940 2.669 2.582 2.852 . 0 0 "[ . 1 . 2]" 2
231 1 31 CYS H 1 52 HIS HB2 . . 4.950 4.786 4.667 4.887 . 0 0 "[ . 1 . 2]" 2
232 1 49 CYS H 1 53 ARG H . . 4.610 4.529 4.400 4.595 . 0 0 "[ . 1 . 2]" 2
233 1 29 PHE H 1 49 CYS H . . 4.580 4.468 4.403 4.550 . 0 0 "[ . 1 . 2]" 2
234 1 49 CYS H 1 53 ARG QB . . 5.440 5.229 5.148 5.331 . 0 0 "[ . 1 . 2]" 2
235 1 47 LEU HG 1 49 CYS H . . 5.440 4.848 4.782 4.929 . 0 0 "[ . 1 . 2]" 2
236 1 49 CYS H 1 51 LEU HB2 . . 5.500 4.640 4.582 4.748 . 0 0 "[ . 1 . 2]" 2
237 1 30 MET HG3 1 31 CYS H . . 4.650 3.079 2.917 3.700 . 0 0 "[ . 1 . 2]" 2
238 1 35 VAL HB 1 49 CYS H . . 5.500 5.308 5.117 5.437 . 0 0 "[ . 1 . 2]" 2
239 1 49 CYS H 1 51 LEU H . . 4.630 3.778 3.696 3.915 . 0 0 "[ . 1 . 2]" 2
240 1 48 PHE HA 1 49 CYS H . . 2.920 2.308 2.287 2.326 . 0 0 "[ . 1 . 2]" 2
241 1 28 CYS HA 1 49 CYS H . . 3.760 3.604 3.518 3.689 . 0 0 "[ . 1 . 2]" 2
242 1 49 CYS H 1 49 CYS HB2 . . 3.650 3.623 3.613 3.631 . 0 0 "[ . 1 . 2]" 2
243 1 48 PHE HB3 1 49 CYS H . . 3.080 2.681 2.630 2.740 . 0 0 "[ . 1 . 2]" 2
244 1 28 CYS HB2 1 49 CYS H . . 3.340 2.933 2.782 3.029 . 0 0 "[ . 1 . 2]" 2
245 1 49 CYS H 1 49 CYS HB3 . . 3.520 2.695 2.666 2.721 . 0 0 "[ . 1 . 2]" 2
246 1 48 PHE HB2 1 49 CYS H . . 3.890 3.747 3.685 3.786 . 0 0 "[ . 1 . 2]" 2
247 1 35 VAL MG1 1 49 CYS H . . 3.590 3.178 3.065 3.284 . 0 0 "[ . 1 . 2]" 2
248 1 30 MET H 1 31 CYS HB3 . . 5.200 4.902 4.795 4.947 . 0 0 "[ . 1 . 2]" 2
249 1 30 MET HA 1 32 ARG H . . 4.910 4.571 4.515 4.632 . 0 0 "[ . 1 . 2]" 2
250 1 32 ARG H 1 32 ARG HA . . 2.640 2.276 2.274 2.278 . 0 0 "[ . 1 . 2]" 2
251 1 28 CYS HB3 1 32 ARG H . . 3.260 1.892 1.863 1.964 . 0 0 "[ . 1 . 2]" 2
252 1 32 ARG H 1 32 ARG HD2 . . 4.240 3.277 2.403 4.255 0.015 15 0 "[ . 1 . 2]" 2
253 1 28 CYS HB2 1 32 ARG H . . 3.710 3.651 3.623 3.722 0.012 1 0 "[ . 1 . 2]" 2
254 1 31 CYS HB3 1 32 ARG H . . 4.410 4.160 4.130 4.187 . 0 0 "[ . 1 . 2]" 2
255 1 30 MET QB 1 32 ARG H . . 4.590 4.338 4.283 4.470 . 0 0 "[ . 1 . 2]" 2
256 1 27 ARG HB3 1 32 ARG H . . 4.880 4.774 4.641 4.890 0.010 19 0 "[ . 1 . 2]" 2
257 1 30 MET H 1 49 CYS H . . 4.930 4.934 4.908 4.963 0.033 13 0 "[ . 1 . 2]" 2
258 1 29 PHE QD 1 30 MET H . . 4.050 3.255 3.175 3.380 . 0 0 "[ . 1 . 2]" 2
259 1 29 PHE HA 1 30 MET H . . 3.440 3.227 3.205 3.245 . 0 0 "[ . 1 . 2]" 2
260 1 30 MET H 1 52 HIS HB2 . . 4.840 4.732 4.601 4.797 . 0 0 "[ . 1 . 2]" 2
261 1 30 MET H 1 48 PHE HB3 . . 5.500 5.304 5.130 5.384 . 0 0 "[ . 1 . 2]" 2
262 1 30 MET H 1 52 HIS HB3 . . 5.500 5.426 5.244 5.557 0.057 5 0 "[ . 1 . 2]" 2
263 1 29 PHE HB3 1 30 MET H . . 4.020 3.813 3.778 3.863 . 0 0 "[ . 1 . 2]" 2
264 1 28 CYS HB2 1 30 MET H . . 4.400 4.195 4.171 4.215 . 0 0 "[ . 1 . 2]" 2
265 1 30 MET H 1 30 MET QB . . 2.750 2.365 2.347 2.389 . 0 0 "[ . 1 . 2]" 2
266 1 30 MET H 1 31 CYS HA . . 4.920 4.706 4.657 4.736 . 0 0 "[ . 1 . 2]" 2
267 1 44 CYS H 1 46 ASN H . . 4.210 4.117 4.063 4.154 . 0 0 "[ . 1 . 2]" 2
268 1 44 CYS H 1 62 TYR QD . . 4.430 4.199 4.051 4.315 . 0 0 "[ . 1 . 2]" 2
269 1 42 CYS HA 1 44 CYS H . . 4.340 4.265 4.208 4.300 . 0 0 "[ . 1 . 2]" 2
270 1 44 CYS H 1 45 GLY HA3 . . 5.360 5.291 5.273 5.308 . 0 0 "[ . 1 . 2]" 2
271 1 42 CYS HB3 1 44 CYS H . . 3.180 3.007 2.901 3.088 . 0 0 "[ . 1 . 2]" 2
272 1 42 CYS HB2 1 44 CYS H . . 4.370 4.352 4.287 4.407 0.037 13 0 "[ . 1 . 2]" 2
273 1 44 CYS H 1 62 TYR HB2 . . 4.190 3.444 3.357 3.531 . 0 0 "[ . 1 . 2]" 2
274 1 43 ARG HG2 1 44 CYS H . . 4.450 4.253 4.100 4.416 . 0 0 "[ . 1 . 2]" 2
275 1 43 ARG HB3 1 44 CYS H . . 4.090 3.901 3.828 3.967 . 0 0 "[ . 1 . 2]" 2
276 1 43 ARG HB2 1 44 CYS H . . 3.570 2.824 2.757 2.902 . 0 0 "[ . 1 . 2]" 2
277 1 44 CYS H 1 62 TYR HB3 . . 4.880 4.571 4.454 4.654 . 0 0 "[ . 1 . 2]" 2
278 1 29 PHE HZ 1 46 ASN HD22 . . 4.410 3.102 2.987 3.188 . 0 0 "[ . 1 . 2]" 2
279 1 44 CYS HB2 1 46 ASN HD22 . . 4.730 4.325 4.206 4.448 . 0 0 "[ . 1 . 2]" 2
280 1 46 ASN HB2 1 46 ASN HD22 . . 3.590 3.454 3.445 3.459 . 0 0 "[ . 1 . 2]" 2
281 1 29 PHE HZ 1 46 ASN HD21 . . 4.550 3.416 3.354 3.525 . 0 0 "[ . 1 . 2]" 2
282 1 29 PHE QE 1 46 ASN HD21 . . 4.080 3.433 3.392 3.532 . 0 0 "[ . 1 . 2]" 2
283 1 46 ASN HB2 1 46 ASN HD21 . . 3.490 2.168 2.145 2.181 . 0 0 "[ . 1 . 2]" 2
284 1 29 PHE QE 1 46 ASN HD22 . . 4.070 2.517 2.367 2.645 . 0 0 "[ . 1 . 2]" 2
285 1 29 PHE HB3 1 46 ASN HD22 . . 5.500 5.517 5.456 5.539 0.039 17 0 "[ . 1 . 2]" 2
286 1 44 CYS HB2 1 46 ASN HD21 . . 4.850 3.623 3.486 3.718 . 0 0 "[ . 1 . 2]" 2
287 1 35 VAL H 1 36 GLY H . . 3.800 2.125 1.992 2.299 . 0 0 "[ . 1 . 2]" 2
288 1 27 ARG HG2 1 35 VAL H . . 3.900 3.484 3.377 3.690 . 0 0 "[ . 1 . 2]" 2
289 1 26 ASN HA 1 35 VAL H . . 4.830 4.734 4.450 4.840 0.010 1 0 "[ . 1 . 2]" 2
290 1 28 CYS H 1 35 VAL H . . 4.160 3.823 3.678 4.085 . 0 0 "[ . 1 . 2]" 2
291 1 27 ARG HA 1 35 VAL H . . 3.210 2.521 2.357 2.663 . 0 0 "[ . 1 . 2]" 2
292 1 34 LYS HA 1 35 VAL H . . 2.690 2.151 2.140 2.161 . 0 0 "[ . 1 . 2]" 2
293 1 34 LYS QD 1 35 VAL H . . 3.710 3.097 2.436 3.487 . 0 0 "[ . 1 . 2]" 2
294 1 35 VAL H 1 35 VAL MG2 . . 2.830 2.120 1.988 2.309 . 0 0 "[ . 1 . 2]" 2
295 1 52 HIS H 1 54 TYR H . . 4.530 4.540 4.147 4.613 0.083 12 0 "[ . 1 . 2]" 2
296 1 50 GLY HA3 1 52 HIS H . . 4.510 4.465 4.325 4.541 0.031 12 0 "[ . 1 . 2]" 2
297 1 52 HIS H 1 52 HIS HB2 . . 3.380 2.575 2.528 2.615 . 0 0 "[ . 1 . 2]" 2
298 1 48 PHE HB3 1 52 HIS H . . 3.080 2.925 2.875 2.980 . 0 0 "[ . 1 . 2]" 2
299 1 48 PHE HB2 1 52 HIS H . . 4.620 4.160 4.012 4.300 . 0 0 "[ . 1 . 2]" 2
300 1 52 HIS H 1 53 ARG HD3 . . 5.320 4.992 4.836 5.121 . 0 0 "[ . 1 . 2]" 2
301 1 52 HIS H 1 53 ARG HG2 . . 4.730 3.969 3.931 4.012 . 0 0 "[ . 1 . 2]" 2
302 1 52 HIS H 1 53 ARG HG3 . . 5.500 5.540 5.510 5.566 0.066 10 0 "[ . 1 . 2]" 2
303 1 49 CYS H 1 52 HIS H . . 4.120 3.606 3.561 3.644 . 0 0 "[ . 1 . 2]" 2
304 1 50 GLY H 1 52 HIS H . . 4.890 3.323 3.261 3.398 . 0 0 "[ . 1 . 2]" 2
305 1 49 CYS HB3 1 52 HIS H . . 5.500 5.543 5.512 5.576 0.076 4 0 "[ . 1 . 2]" 2
306 1 52 HIS H 1 53 ARG QB . . 4.020 3.961 3.889 3.996 . 0 0 "[ . 1 . 2]" 2
307 1 51 LEU HB2 1 52 HIS H . . 3.420 3.050 2.947 3.158 . 0 0 "[ . 1 . 2]" 2
308 1 29 PHE H 1 30 MET H . . 3.380 2.313 2.271 2.385 . 0 0 "[ . 1 . 2]" 2
309 1 29 PHE H 1 31 CYS H . . 4.480 4.076 3.933 4.156 . 0 0 "[ . 1 . 2]" 2
310 1 29 PHE H 1 29 PHE QD . . 3.920 3.270 3.228 3.312 . 0 0 "[ . 1 . 2]" 2
311 1 29 PHE H 1 48 PHE HA . . 3.390 2.673 2.626 2.738 . 0 0 "[ . 1 . 2]" 2
312 1 28 CYS HA 1 29 PHE H . . 2.680 2.284 2.264 2.298 . 0 0 "[ . 1 . 2]" 2
313 1 28 CYS HB3 1 29 PHE H . . 4.150 3.717 3.684 3.770 . 0 0 "[ . 1 . 2]" 2
314 1 29 PHE H 1 48 PHE HB3 . . 4.810 4.721 4.622 4.792 . 0 0 "[ . 1 . 2]" 2
315 1 29 PHE H 1 29 PHE HB3 . . 3.090 2.245 2.221 2.257 . 0 0 "[ . 1 . 2]" 2
316 1 28 CYS HB2 1 29 PHE H . . 4.280 4.040 4.021 4.067 . 0 0 "[ . 1 . 2]" 2
317 1 29 PHE H 1 29 PHE HB2 . . 3.520 3.387 3.375 3.403 . 0 0 "[ . 1 . 2]" 2
318 1 29 PHE H 1 30 MET QB . . 4.510 3.817 3.782 3.853 . 0 0 "[ . 1 . 2]" 2
319 1 29 PHE H 1 47 LEU HB3 . . 4.390 4.054 3.809 4.174 . 0 0 "[ . 1 . 2]" 2
320 1 29 PHE H 1 47 LEU HG . . 4.900 3.825 3.725 3.928 . 0 0 "[ . 1 . 2]" 2
321 1 29 PHE H 1 47 LEU MD1 . . 5.010 5.032 5.007 5.057 0.047 8 0 "[ . 1 . 2]" 2
322 1 59 ASN HA 1 59 ASN HD22 . . 5.100 4.515 4.256 4.731 . 0 0 "[ . 1 . 2]" 2
323 1 42 CYS HB3 1 43 ARG H . . 4.010 3.412 3.371 3.456 . 0 0 "[ . 1 . 2]" 2
324 1 59 ASN HB2 1 59 ASN HD22 . . 4.020 3.482 3.434 3.556 . 0 0 "[ . 1 . 2]" 2
325 1 42 CYS HA 1 43 ARG H . . 2.810 2.438 2.424 2.452 . 0 0 "[ . 1 . 2]" 2
326 1 42 CYS HB2 1 43 ARG H . . 3.970 3.830 3.819 3.841 . 0 0 "[ . 1 . 2]" 2
327 1 43 ARG H 1 43 ARG HG2 . . 3.140 2.092 1.887 2.310 . 0 0 "[ . 1 . 2]" 2
328 1 43 ARG H 1 43 ARG HB2 . . 3.010 2.565 2.459 2.669 . 0 0 "[ . 1 . 2]" 2
329 1 43 ARG H 1 62 TYR QD . . 5.330 4.978 4.752 5.381 0.051 13 0 "[ . 1 . 2]" 2
330 1 43 ARG H 1 43 ARG HD2 . . 4.800 4.528 3.918 4.775 . 0 0 "[ . 1 . 2]" 2
331 1 58 HIS H 1 58 HIS HD1 . . 4.170 3.282 3.152 3.484 . 0 0 "[ . 1 . 2]" 2
332 1 58 HIS H 1 59 ASN H . . 3.220 2.364 2.221 2.484 . 0 0 "[ . 1 . 2]" 2
333 1 57 LYS H 1 58 HIS H . . 2.900 2.089 1.920 2.425 . 0 0 "[ . 1 . 2]" 2
334 1 58 HIS H 1 58 HIS HD2 . . 4.810 4.115 3.982 4.168 . 0 0 "[ . 1 . 2]" 2
335 1 58 HIS H 1 58 HIS HB2 . . 3.990 3.773 3.729 3.824 . 0 0 "[ . 1 . 2]" 2
336 1 55 SER HA 1 58 HIS H . . 4.090 3.831 3.669 3.949 . 0 0 "[ . 1 . 2]" 2
337 1 58 HIS H 1 59 ASN HB2 . . 5.500 5.459 5.381 5.524 0.024 15 0 "[ . 1 . 2]" 2
338 1 58 HIS H 1 60 CYS HB3 . . 5.500 5.509 5.381 5.561 0.061 18 0 "[ . 1 . 2]" 2
339 1 58 HIS H 1 58 HIS HB3 . . 3.660 2.927 2.836 3.050 . 0 0 "[ . 1 . 2]" 2
340 1 57 LYS HB2 1 58 HIS H . . 3.710 2.767 2.597 2.959 . 0 0 "[ . 1 . 2]" 2
341 1 57 LYS HG2 1 58 HIS H . . 5.110 4.662 4.619 4.712 . 0 0 "[ . 1 . 2]" 2
342 1 57 LYS QD 1 58 HIS H . . 5.500 4.826 4.699 4.906 . 0 0 "[ . 1 . 2]" 2
343 1 57 LYS HG3 1 58 HIS H . . 5.220 5.066 4.915 5.232 0.012 18 0 "[ . 1 . 2]" 2
344 1 34 LYS HA 1 36 GLY H . . 4.670 3.763 3.519 3.902 . 0 0 "[ . 1 . 2]" 2
345 1 35 VAL HB 1 36 GLY H . . 4.990 3.860 3.727 4.089 . 0 0 "[ . 1 . 2]" 2
346 1 34 LYS QD 1 36 GLY H . . 4.780 3.172 2.645 3.760 . 0 0 "[ . 1 . 2]" 2
347 1 35 VAL MG2 1 36 GLY H . . 4.040 1.909 1.847 2.039 . 0 0 "[ . 1 . 2]" 2
348 1 26 ASN HD21 1 34 LYS QD . . 4.950 2.662 1.838 4.571 . 0 0 "[ . 1 . 2]" 2
349 1 26 ASN HB2 1 26 ASN HD22 . . 4.080 3.500 3.433 3.851 . 0 0 "[ . 1 . 2]" 2
350 1 26 ASN HB3 1 26 ASN HD22 . . 4.080 3.962 3.449 4.079 . 0 0 "[ . 1 . 2]" 2
351 1 43 ARG H 1 45 GLY H . . 4.430 4.042 4.008 4.071 . 0 0 "[ . 1 . 2]" 2
352 1 42 CYS HA 1 45 GLY H . . 5.180 4.846 4.792 4.920 . 0 0 "[ . 1 . 2]" 2
353 1 45 GLY H 1 45 GLY HA2 . . 2.800 2.323 2.313 2.332 . 0 0 "[ . 1 . 2]" 2
354 1 44 CYS HB3 1 45 GLY H . . 4.480 4.307 4.273 4.356 . 0 0 "[ . 1 . 2]" 2
355 1 42 CYS HB2 1 45 GLY H . . 5.460 5.083 5.030 5.156 . 0 0 "[ . 1 . 2]" 2
356 1 45 GLY H 1 46 ASN HB2 . . 4.530 4.383 4.327 4.438 . 0 0 "[ . 1 . 2]" 2
357 1 43 ARG HG2 1 45 GLY H . . 5.500 5.501 5.423 5.544 0.044 5 0 "[ . 1 . 2]" 2
358 1 43 ARG HB3 1 45 GLY H . . 5.020 4.895 4.817 4.940 . 0 0 "[ . 1 . 2]" 2
359 1 43 ARG HB2 1 45 GLY H . . 4.760 4.707 4.666 4.738 . 0 0 "[ . 1 . 2]" 2
360 1 38 THR H 1 39 GLY H . . 3.390 2.966 2.665 3.132 . 0 0 "[ . 1 . 2]" 2
361 1 35 VAL HA 1 38 THR H . . 4.750 4.200 3.897 4.708 . 0 0 "[ . 1 . 2]" 2
362 1 36 GLY HA3 1 38 THR H . . 4.010 3.864 3.724 3.968 . 0 0 "[ . 1 . 2]" 2
363 1 38 THR H 1 39 GLY HA3 . . 5.090 4.954 4.912 5.010 . 0 0 "[ . 1 . 2]" 2
364 1 35 VAL HB 1 38 THR H . . 4.850 4.154 3.931 4.485 . 0 0 "[ . 1 . 2]" 2
365 1 38 THR H 1 38 THR MG . . 3.500 2.482 2.153 2.747 . 0 0 "[ . 1 . 2]" 2
366 1 35 VAL MG2 1 38 THR H . . 4.460 4.155 3.967 4.363 . 0 0 "[ . 1 . 2]" 2
367 1 37 LEU H 1 38 THR H . . 4.920 2.337 2.137 2.502 . 0 0 "[ . 1 . 2]" 2
368 1 38 THR HA 1 39 GLY H . . 3.330 2.988 2.854 3.307 . 0 0 "[ . 1 . 2]" 2
369 1 39 GLY H 1 39 GLY HA3 . . 2.870 2.323 2.297 2.351 . 0 0 "[ . 1 . 2]" 2
370 1 35 VAL HB 1 39 GLY H . . 3.690 3.440 2.973 3.687 . 0 0 "[ . 1 . 2]" 2
371 1 38 THR MG 1 39 GLY H . . 4.360 4.307 4.144 4.360 0.000 20 0 "[ . 1 . 2]" 2
372 1 35 VAL MG2 1 39 GLY H . . 3.240 3.027 2.538 3.249 0.009 5 0 "[ . 1 . 2]" 2
373 1 39 GLY H 1 49 CYS HA . . 5.500 5.351 5.080 5.507 0.007 8 0 "[ . 1 . 2]" 2
374 1 37 LEU HB2 1 39 GLY H . . 5.010 5.022 4.828 5.137 0.127 19 0 "[ . 1 . 2]" 2
375 1 65 LYS QG 1 66 ALA H . . 3.380 2.146 1.801 3.389 0.009 5 0 "[ . 1 . 2]" 2
376 1 65 LYS QB 1 66 ALA H . . 3.690 3.114 1.926 3.425 . 0 0 "[ . 1 . 2]" 2
377 1 66 ALA H 1 67 GLU H . . 4.090 2.659 1.965 3.131 . 0 0 "[ . 1 . 2]" 2
378 1 64 TYR H 1 64 TYR QD . . 3.140 1.904 1.816 2.058 . 0 0 "[ . 1 . 2]" 2
379 1 30 MET H 1 31 CYS H . . 2.930 2.066 1.967 2.108 . 0 0 "[ . 1 . 2]" 2
380 1 43 ARG H 1 44 CYS H . . 3.220 2.564 2.520 2.611 . 0 0 "[ . 1 . 2]" 2
381 1 42 CYS H 1 44 CYS H . . 5.400 5.056 4.957 5.159 . 0 0 "[ . 1 . 2]" 2
382 1 26 ASN HD22 1 34 LYS QD . . 4.950 3.285 2.373 4.973 0.023 12 0 "[ . 1 . 2]" 2
383 1 52 HIS H 1 53 ARG H . . 2.940 1.941 1.904 1.979 . 0 0 "[ . 1 . 2]" 2
384 1 48 PHE HA 1 53 ARG H . . 5.350 5.159 5.004 5.265 . 0 0 "[ . 1 . 2]" 2
385 1 48 PHE HA 1 52 HIS H . . 5.290 4.895 4.850 4.982 . 0 0 "[ . 1 . 2]" 2
386 1 51 LEU H 1 52 HIS H . . 2.790 2.478 2.444 2.540 . 0 0 "[ . 1 . 2]" 2
387 1 51 LEU H 1 53 ARG H . . 3.830 3.647 3.593 3.733 . 0 0 "[ . 1 . 2]" 2
388 1 49 CYS H 1 50 GLY H . . 5.200 2.859 2.818 2.913 . 0 0 "[ . 1 . 2]" 2
389 1 35 VAL HB 1 50 GLY H . . 5.500 5.503 5.432 5.569 0.069 16 0 "[ . 1 . 2]" 2
390 1 44 CYS H 1 45 GLY H . . 3.040 2.673 2.661 2.685 . 0 0 "[ . 1 . 2]" 2
391 1 30 MET H 1 32 ARG H . . 3.500 2.798 2.740 2.852 . 0 0 "[ . 1 . 2]" 2
392 1 29 PHE H 1 32 ARG H . . 5.100 4.198 4.148 4.252 . 0 0 "[ . 1 . 2]" 2
393 1 15 GLU H 1 15 GLU QG . . 4.680 3.109 2.202 3.869 . 0 0 "[ . 1 . 2]" 2
394 1 14 GLU HA 1 15 GLU H . . 3.220 2.253 2.140 2.853 . 0 0 "[ . 1 . 2]" 2
395 1 42 CYS H 1 46 ASN HB3 . . 5.140 4.693 4.638 4.757 . 0 0 "[ . 1 . 2]" 2
396 1 42 CYS H 1 45 GLY HA2 . . 5.450 4.858 4.699 4.962 . 0 0 "[ . 1 . 2]" 2
397 1 42 CYS H 1 43 ARG HA . . 5.500 5.548 5.525 5.570 0.070 6 0 "[ . 1 . 2]" 2
398 1 63 ASP H 1 64 TYR H . . 3.510 1.830 1.749 1.997 . 0 0 "[ . 1 . 2]" 2
399 1 64 TYR H 1 64 TYR HB3 . . 3.040 2.385 2.318 2.439 . 0 0 "[ . 1 . 2]" 2
400 1 43 ARG H 1 43 ARG HD3 . . 4.800 4.176 3.670 4.704 . 0 0 "[ . 1 . 2]" 2
401 1 46 ASN HD21 1 47 LEU H . . 5.440 5.214 5.138 5.267 . 0 0 "[ . 1 . 2]" 2
402 1 15 GLU QG 1 16 LYS H . . 5.280 4.180 3.581 4.611 . 0 0 "[ . 1 . 2]" 2
403 1 16 LYS QD 1 17 ALA H . . 5.430 3.457 2.486 4.797 . 0 0 "[ . 1 . 2]" 2
404 1 20 LEU H 1 21 PRO HD2 . . 5.220 4.775 4.723 4.823 . 0 0 "[ . 1 . 2]" 2
405 1 20 LEU H 1 20 LEU HG . . 3.830 3.255 2.359 4.015 0.185 3 0 "[ . 1 . 2]" 2
406 1 19 GLU HB2 1 20 LEU H . . 4.460 3.703 2.153 4.579 0.119 20 0 "[ . 1 . 2]" 2
407 1 22 LYS HB2 1 24 LYS H . . 4.750 3.489 2.312 4.583 . 0 0 "[ . 1 . 2]" 2
408 1 26 ASN HB2 1 27 ARG H . . 4.840 4.374 4.138 4.518 . 0 0 "[ . 1 . 2]" 2
409 1 29 PHE H 1 47 LEU HB2 . . 5.500 5.500 5.333 5.584 0.084 9 0 "[ . 1 . 2]" 2
410 1 29 PHE H 1 46 ASN HB3 . . 4.810 4.618 4.582 4.646 . 0 0 "[ . 1 . 2]" 2
411 1 29 PHE H 1 48 PHE H . . 5.070 4.628 4.591 4.651 . 0 0 "[ . 1 . 2]" 2
412 1 28 CYS HB3 1 31 CYS H . . 3.340 2.581 2.497 2.642 . 0 0 "[ . 1 . 2]" 2
413 1 31 CYS H 1 48 PHE HA . . 5.140 4.987 4.955 5.020 . 0 0 "[ . 1 . 2]" 2
414 1 32 ARG H 1 35 VAL MG1 . . 5.460 5.368 5.203 5.440 . 0 0 "[ . 1 . 2]" 2
415 1 32 ARG H 1 33 LYS HB3 . . 4.860 4.673 4.566 4.741 . 0 0 "[ . 1 . 2]" 2
416 1 32 ARG H 1 33 LYS HA . . 5.500 5.239 5.181 5.279 . 0 0 "[ . 1 . 2]" 2
417 1 35 VAL H 1 35 VAL HB . . 3.890 3.737 3.690 3.798 . 0 0 "[ . 1 . 2]" 2
418 1 27 ARG HA 1 36 GLY H . . 5.130 4.083 3.885 4.323 . 0 0 "[ . 1 . 2]" 2
419 1 37 LEU HB3 1 39 GLY H . . 5.010 4.707 4.576 4.819 . 0 0 "[ . 1 . 2]" 2
420 1 44 CYS H 1 44 CYS HB3 . . 3.410 2.525 2.491 2.569 . 0 0 "[ . 1 . 2]" 2
421 1 42 CYS HB3 1 45 GLY H . . 3.890 3.463 3.395 3.537 . 0 0 "[ . 1 . 2]" 2
422 1 45 GLY H 1 62 TYR QD . . 5.500 5.403 5.177 5.478 . 0 0 "[ . 1 . 2]" 2
423 1 45 GLY H 1 62 TYR QE . . 5.500 5.469 5.284 5.530 0.030 15 0 "[ . 1 . 2]" 2
424 1 29 PHE QD 1 47 LEU H . . 4.540 3.981 3.946 4.029 . 0 0 "[ . 1 . 2]" 2
425 1 29 PHE QE 1 47 LEU H . . 5.500 5.574 5.540 5.602 0.102 20 0 "[ . 1 . 2]" 2
426 1 49 CYS H 1 52 HIS HB2 . . 3.980 3.665 3.445 3.860 . 0 0 "[ . 1 . 2]" 2
427 1 39 GLY HA2 1 49 CYS H . . 5.290 5.192 5.066 5.294 0.004 14 0 "[ . 1 . 2]" 2
428 1 33 LYS H 1 49 CYS H . . 5.420 5.375 5.218 5.500 0.080 10 0 "[ . 1 . 2]" 2
429 1 39 GLY HA2 1 50 GLY H . . 5.110 4.634 4.563 4.740 . 0 0 "[ . 1 . 2]" 2
430 1 51 LEU H 1 51 LEU HB2 . . 2.910 2.442 2.289 2.647 . 0 0 "[ . 1 . 2]" 2
431 1 30 MET QB 1 52 HIS H . . 5.330 5.147 5.000 5.326 . 0 0 "[ . 1 . 2]" 2
432 1 48 PHE HD2 1 52 HIS H . . 4.480 4.170 4.065 4.406 . 0 0 "[ . 1 . 2]" 2
433 1 57 LYS H 1 58 HIS HD1 . . 5.030 4.617 4.525 4.871 . 0 0 "[ . 1 . 2]" 2
434 1 56 ASP HA 1 59 ASN H . . 5.110 3.588 3.338 3.685 . 0 0 "[ . 1 . 2]" 2
435 1 59 ASN HA 1 60 CYS H . . 3.530 2.665 2.625 2.700 . 0 0 "[ . 1 . 2]" 2
436 1 44 CYS HB2 1 62 TYR H . . 3.960 3.524 3.364 3.651 . 0 0 "[ . 1 . 2]" 2
437 1 61 PRO HD2 1 62 TYR H . . 3.480 2.650 2.647 2.661 . 0 0 "[ . 1 . 2]" 2
438 1 63 ASP HB3 1 65 LYS H . . 5.500 5.086 4.490 5.515 0.015 4 0 "[ . 1 . 2]" 2
439 1 63 ASP HB2 1 65 LYS H . . 5.500 5.113 4.704 5.574 0.074 9 0 "[ . 1 . 2]" 2
440 1 64 TYR H 1 65 LYS H . . 3.600 2.961 2.884 3.032 . 0 0 "[ . 1 . 2]" 2
441 1 62 TYR HB3 1 65 LYS H . . 4.660 4.270 3.677 4.739 0.079 8 0 "[ . 1 . 2]" 2
442 1 67 GLU QG 1 68 ALA H . . 5.290 3.916 2.649 4.834 . 0 0 "[ . 1 . 2]" 2
443 1 44 CYS H 1 46 ASN HD21 . . 5.500 5.449 5.381 5.523 0.023 19 0 "[ . 1 . 2]" 2
444 1 33 LYS H 1 33 LYS HG3 . . 5.000 4.753 4.680 4.823 . 0 0 "[ . 1 . 2]" 2
445 1 63 ASP HA 1 64 TYR QD . . 4.500 3.665 3.571 3.799 . 0 0 "[ . 1 . 2]" 2
446 1 64 TYR QD 1 65 LYS HA . . 4.790 3.979 3.815 4.136 . 0 0 "[ . 1 . 2]" 2
447 1 62 TYR QD 1 64 TYR QD . . 4.400 2.162 2.020 2.490 . 0 0 "[ . 1 . 2]" 2
448 1 64 TYR HA 1 64 TYR QD . . 3.670 3.647 3.602 3.692 0.022 16 0 "[ . 1 . 2]" 2
449 1 62 TYR HB3 1 64 TYR QD . . 3.220 2.001 1.948 2.199 . 0 0 "[ . 1 . 2]" 2
450 1 43 ARG HG3 1 64 TYR QD . . 4.700 2.761 2.199 3.318 . 0 0 "[ . 1 . 2]" 2
451 1 62 TYR QD 1 63 ASP H . . 4.420 3.016 2.542 3.194 . 0 0 "[ . 1 . 2]" 2
452 1 44 CYS HA 1 62 TYR QD . . 3.760 2.466 2.024 2.726 . 0 0 "[ . 1 . 2]" 2
453 1 61 PRO HG2 1 62 TYR QD . . 4.390 3.905 3.804 4.011 . 0 0 "[ . 1 . 2]" 2
454 1 43 ARG HB3 1 62 TYR QD . . 4.620 2.944 2.511 3.471 . 0 0 "[ . 1 . 2]" 2
455 1 43 ARG HB2 1 62 TYR QD . . 4.110 2.610 2.357 3.164 . 0 0 "[ . 1 . 2]" 2
456 1 54 TYR QD 1 57 LYS HB3 . . 4.880 3.884 3.742 4.253 . 0 0 "[ . 1 . 2]" 2
457 1 54 TYR QD 1 57 LYS HB2 . . 5.060 3.340 3.199 3.645 . 0 0 "[ . 1 . 2]" 2
458 1 54 TYR QD 1 57 LYS HG2 . . 3.590 3.420 1.987 3.589 . 0 0 "[ . 1 . 2]" 2
459 1 53 ARG HG2 1 54 TYR QD . . 4.380 2.681 2.299 2.787 . 0 0 "[ . 1 . 2]" 2
460 1 54 TYR HA 1 54 TYR QD . . 3.390 3.042 2.266 3.114 . 0 0 "[ . 1 . 2]" 2
461 1 54 TYR QD 1 57 LYS HG3 . . 4.070 2.149 2.019 2.246 . 0 0 "[ . 1 . 2]" 2
462 1 53 ARG HG3 1 54 TYR QD . . 4.400 3.329 1.977 3.481 . 0 0 "[ . 1 . 2]" 2
463 1 50 GLY HA3 1 53 ARG HG2 . . 4.650 4.396 4.307 4.529 . 0 0 "[ . 1 . 2]" 2
464 1 40 PHE QD 1 50 GLY HA2 . . 4.630 2.979 2.839 3.065 . 0 0 "[ . 1 . 2]" 2
465 1 50 GLY HA2 1 53 ARG QB . . 4.330 2.036 1.976 2.120 . 0 0 "[ . 1 . 2]" 2
466 1 50 GLY HA3 1 53 ARG H . . 4.430 4.315 4.232 4.362 . 0 0 "[ . 1 . 2]" 2
467 1 50 GLY HA3 1 53 ARG QB . . 4.480 3.722 3.668 3.802 . 0 0 "[ . 1 . 2]" 2
468 1 50 GLY HA2 1 53 ARG HG2 . . 4.260 3.150 3.043 3.296 . 0 0 "[ . 1 . 2]" 2
469 1 68 ALA MB 1 69 SER H . . 4.620 2.892 2.227 3.603 . 0 0 "[ . 1 . 2]" 2
470 1 40 PHE HA 1 40 PHE QD . . 3.800 2.995 2.981 3.008 . 0 0 "[ . 1 . 2]" 2
471 1 40 PHE QD 1 53 ARG QB . . 3.970 2.329 2.241 2.406 . 0 0 "[ . 1 . 2]" 2
472 1 66 ALA H 1 66 ALA MB . . 3.400 2.309 2.093 2.580 . 0 0 "[ . 1 . 2]" 2
473 1 29 PHE QD 1 46 ASN HB3 . . 4.350 3.247 3.200 3.298 . 0 0 "[ . 1 . 2]" 2
474 1 40 PHE QE 1 50 GLY HA3 . . 5.070 4.800 4.716 4.861 . 0 0 "[ . 1 . 2]" 2
475 1 40 PHE QE 1 50 GLY HA2 . . 4.650 4.243 4.183 4.285 . 0 0 "[ . 1 . 2]" 2
476 1 29 PHE HA 1 29 PHE QD . . 3.460 3.460 3.441 3.477 0.017 8 0 "[ . 1 . 2]" 2
477 1 29 PHE QD 1 30 MET HA . . 4.870 3.436 3.349 3.547 . 0 0 "[ . 1 . 2]" 2
478 1 29 PHE QD 1 46 ASN HD21 . . 4.740 4.116 4.056 4.220 . 0 0 "[ . 1 . 2]" 2
479 1 36 GLY HA3 1 37 LEU HA . . 4.810 4.352 4.343 4.365 . 0 0 "[ . 1 . 2]" 2
480 1 34 LYS QD 1 36 GLY HA3 . . 4.760 3.530 2.995 4.492 . 0 0 "[ . 1 . 2]" 2
481 1 35 VAL MG2 1 36 GLY HA3 . . 4.550 3.899 3.736 3.992 . 0 0 "[ . 1 . 2]" 2
482 1 35 VAL H 1 36 GLY HA2 . . 4.810 4.382 4.237 4.516 . 0 0 "[ . 1 . 2]" 2
483 1 34 LYS QD 1 36 GLY HA2 . . 4.630 3.782 3.178 4.357 . 0 0 "[ . 1 . 2]" 2
484 1 35 VAL MG2 1 40 PHE H . . 4.200 3.548 3.320 3.742 . 0 0 "[ . 1 . 2]" 2
485 1 28 CYS H 1 35 VAL MG2 . . 4.350 3.738 3.557 4.012 . 0 0 "[ . 1 . 2]" 2
486 1 27 ARG HA 1 35 VAL MG2 . . 3.610 2.992 2.786 3.370 . 0 0 "[ . 1 . 2]" 2
487 1 26 ASN HA 1 35 VAL MG2 . . 3.670 3.111 2.883 3.310 . 0 0 "[ . 1 . 2]" 2
488 1 35 VAL MG2 1 39 GLY HA2 . . 3.190 2.353 2.166 2.509 . 0 0 "[ . 1 . 2]" 2
489 1 35 VAL MG2 1 39 GLY HA3 . . 3.250 2.220 2.014 2.511 . 0 0 "[ . 1 . 2]" 2
490 1 34 LYS QD 1 35 VAL MG2 . . 4.880 4.185 3.749 4.610 . 0 0 "[ . 1 . 2]" 2
491 1 27 ARG HB2 1 35 VAL MG2 . . 5.500 5.151 4.970 5.499 . 0 0 "[ . 1 . 2]" 2
492 1 35 VAL MG2 1 47 LEU HB3 . . 5.500 4.690 4.558 4.857 . 0 0 "[ . 1 . 2]" 2
493 1 35 VAL MG2 1 47 LEU HG . . 3.780 2.835 2.621 3.022 . 0 0 "[ . 1 . 2]" 2
494 1 35 VAL MG2 1 49 CYS HB2 . . 5.500 5.117 4.994 5.417 . 0 0 "[ . 1 . 2]" 2
495 1 35 VAL MG2 1 47 LEU HB2 . . 4.970 4.672 4.580 4.736 . 0 0 "[ . 1 . 2]" 2
496 1 16 LYS HA 1 17 ALA MB . . 4.470 3.869 3.762 4.013 . 0 0 "[ . 1 . 2]" 2
497 1 17 ALA MB 1 18 PRO HD2 . . 3.840 2.307 1.971 2.843 . 0 0 "[ . 1 . 2]" 2
498 1 17 ALA MB 1 18 PRO HD3 . . 3.840 3.453 3.155 3.816 . 0 0 "[ . 1 . 2]" 2
499 1 30 MET H 1 30 MET ME . . 5.500 5.500 5.377 5.594 0.094 10 0 "[ . 1 . 2]" 2
500 1 30 MET ME 1 31 CYS H . . 5.500 5.394 5.255 5.472 . 0 0 "[ . 1 . 2]" 2
501 1 30 MET ME 1 59 ASN HD22 . . 4.190 3.361 2.585 3.685 . 0 0 "[ . 1 . 2]" 2
502 1 30 MET ME 1 52 HIS HD2 . . 3.630 3.441 3.113 3.665 0.035 16 0 "[ . 1 . 2]" 2
503 1 30 MET ME 1 58 HIS H . . 4.700 4.327 4.052 4.514 . 0 0 "[ . 1 . 2]" 2
504 1 30 MET ME 1 59 ASN HD21 . . 4.190 2.943 2.660 3.462 . 0 0 "[ . 1 . 2]" 2
505 1 30 MET ME 1 58 HIS HA . . 3.230 1.875 1.754 1.932 . 0 0 "[ . 1 . 2]" 2
506 1 30 MET HA 1 30 MET ME . . 3.850 3.683 3.373 3.816 . 0 0 "[ . 1 . 2]" 2
507 1 30 MET ME 1 52 HIS HB2 . . 5.270 5.087 4.817 5.261 . 0 0 "[ . 1 . 2]" 2
508 1 30 MET ME 1 58 HIS HB2 . . 3.930 2.590 2.204 3.258 . 0 0 "[ . 1 . 2]" 2
509 1 30 MET ME 1 59 ASN HB2 . . 4.800 4.314 4.215 4.693 . 0 0 "[ . 1 . 2]" 2
510 1 30 MET ME 1 31 CYS HA . . 5.500 5.470 5.128 5.541 0.041 16 0 "[ . 1 . 2]" 2
511 1 30 MET ME 1 59 ASN HB3 . . 5.500 5.574 5.528 5.676 0.176 15 0 "[ . 1 . 2]" 2
512 1 44 CYS H 1 45 GLY HA2 . . 5.130 4.990 4.961 5.015 . 0 0 "[ . 1 . 2]" 2
513 1 48 PHE HB3 1 48 PHE HE2 . . 4.760 4.643 4.636 4.657 . 0 0 "[ . 1 . 2]" 2
514 1 48 PHE HB3 1 53 ARG QB . . 4.080 3.599 3.443 3.733 . 0 0 "[ . 1 . 2]" 2
515 1 48 PHE HB2 1 48 PHE HE1 . . 4.870 4.687 4.668 4.695 . 0 0 "[ . 1 . 2]" 2
516 1 40 PHE QD 1 48 PHE HB2 . . 4.640 3.854 3.720 4.031 . 0 0 "[ . 1 . 2]" 2
517 1 40 PHE HB3 1 48 PHE HB3 . . 4.590 3.798 3.670 4.019 . 0 0 "[ . 1 . 2]" 2
518 1 28 CYS HA 1 48 PHE HB3 . . 5.000 4.967 4.896 5.015 0.015 7 0 "[ . 1 . 2]" 2
519 1 48 PHE HB2 1 53 ARG QB . . 3.990 2.806 2.649 2.937 . 0 0 "[ . 1 . 2]" 2
520 1 39 GLY HA3 1 49 CYS HA . . 4.960 4.701 4.551 4.839 . 0 0 "[ . 1 . 2]" 2
521 1 41 ASP HA 1 47 LEU HB2 . . 4.770 4.195 4.050 4.341 . 0 0 "[ . 1 . 2]" 2
522 1 39 GLY HA2 1 40 PHE QD . . 5.200 5.184 5.130 5.220 0.020 1 0 "[ . 1 . 2]" 2
523 1 39 GLY HA3 1 47 LEU HG . . 4.950 4.482 4.271 4.608 . 0 0 "[ . 1 . 2]" 2
524 1 27 ARG HD2 1 32 ARG HA . . 4.300 4.270 3.976 4.331 0.031 7 0 "[ . 1 . 2]" 2
525 1 27 ARG HA 1 27 ARG HD2 . . 4.460 4.416 4.321 4.446 . 0 0 "[ . 1 . 2]" 2
526 1 27 ARG HA 1 27 ARG HD3 . . 4.480 4.187 3.962 4.321 . 0 0 "[ . 1 . 2]" 2
527 1 27 ARG HD3 1 32 ARG HA . . 4.330 4.079 3.988 4.163 . 0 0 "[ . 1 . 2]" 2
528 1 58 HIS HD2 1 61 PRO HD2 . . 4.020 3.709 3.570 3.771 . 0 0 "[ . 1 . 2]" 2
529 1 58 HIS HD2 1 60 CYS HA . . 3.180 2.365 2.222 2.422 . 0 0 "[ . 1 . 2]" 2
530 1 58 HIS HD2 1 59 ASN HB2 . . 4.110 4.127 4.105 4.163 0.053 16 0 "[ . 1 . 2]" 2
531 1 58 HIS HD2 1 60 CYS HB2 . . 3.790 3.500 3.374 3.558 . 0 0 "[ . 1 . 2]" 2
532 1 27 ARG HD3 1 34 LYS HA . . 4.690 4.026 3.906 4.161 . 0 0 "[ . 1 . 2]" 2
533 1 43 ARG HA 1 43 ARG HD2 . . 4.130 3.389 2.402 4.118 . 0 0 "[ . 1 . 2]" 2
534 1 43 ARG HB3 1 43 ARG HD2 . . 3.770 2.583 2.107 3.591 . 0 0 "[ . 1 . 2]" 2
535 1 43 ARG HA 1 43 ARG HD3 . . 4.130 2.922 2.434 4.027 . 0 0 "[ . 1 . 2]" 2
536 1 43 ARG HB3 1 43 ARG HD3 . . 3.770 2.847 2.158 3.576 . 0 0 "[ . 1 . 2]" 2
537 1 58 HIS HD2 1 60 CYS H . . 3.960 3.172 2.966 3.265 . 0 0 "[ . 1 . 2]" 2
538 1 40 PHE QE 1 53 ARG HD2 . . 4.280 2.722 2.681 2.774 . 0 0 "[ . 1 . 2]" 2
539 1 40 PHE QD 1 53 ARG HD2 . . 4.580 3.157 2.888 3.236 . 0 0 "[ . 1 . 2]" 2
540 1 50 GLY HA3 1 53 ARG HD2 . . 4.390 4.299 3.998 4.401 0.011 13 0 "[ . 1 . 2]" 2
541 1 50 GLY HA2 1 53 ARG HD2 . . 3.920 3.020 2.672 3.150 . 0 0 "[ . 1 . 2]" 2
542 1 40 PHE HB2 1 53 ARG HD2 . . 4.700 4.264 3.805 4.422 . 0 0 "[ . 1 . 2]" 2
543 1 53 ARG QB 1 53 ARG HD2 . . 3.490 2.290 2.225 2.353 . 0 0 "[ . 1 . 2]" 2
544 1 40 PHE QD 1 53 ARG HD3 . . 4.420 3.490 3.429 3.577 . 0 0 "[ . 1 . 2]" 2
545 1 40 PHE QE 1 53 ARG HD3 . . 4.400 3.571 3.496 3.678 . 0 0 "[ . 1 . 2]" 2
546 1 50 GLY HA3 1 53 ARG HD3 . . 4.640 2.918 2.888 2.951 . 0 0 "[ . 1 . 2]" 2
547 1 50 GLY HA2 1 53 ARG HD3 . . 4.160 1.986 1.970 2.001 . 0 0 "[ . 1 . 2]" 2
548 1 40 PHE HB2 1 53 ARG HD3 . . 4.340 4.244 4.213 4.286 . 0 0 "[ . 1 . 2]" 2
549 1 53 ARG QB 1 53 ARG HD3 . . 3.440 2.537 2.435 2.665 . 0 0 "[ . 1 . 2]" 2
550 1 32 ARG HA 1 32 ARG HD2 . . 4.260 3.177 2.007 4.202 . 0 0 "[ . 1 . 2]" 2
551 1 32 ARG H 1 32 ARG HD3 . . 4.240 3.589 2.805 4.159 . 0 0 "[ . 1 . 2]" 2
552 1 32 ARG HA 1 32 ARG HD3 . . 4.260 3.662 2.570 4.345 0.085 19 0 "[ . 1 . 2]" 2
553 1 40 PHE HB3 1 41 ASP H . . 4.220 3.958 3.843 4.068 . 0 0 "[ . 1 . 2]" 2
554 1 40 PHE HB3 1 48 PHE HD1 . . 4.300 3.252 3.089 3.372 . 0 0 "[ . 1 . 2]" 2
555 1 40 PHE HB3 1 48 PHE HB2 . . 4.510 2.168 2.042 2.368 . 0 0 "[ . 1 . 2]" 2
556 1 40 PHE HB3 1 53 ARG HD2 . . 4.810 4.353 3.825 4.565 . 0 0 "[ . 1 . 2]" 2
557 1 40 PHE HB3 1 53 ARG HD3 . . 4.720 4.734 4.638 4.764 0.044 18 0 "[ . 1 . 2]" 2
558 1 40 PHE HB3 1 53 ARG QB . . 3.530 2.523 2.416 2.577 . 0 0 "[ . 1 . 2]" 2
559 1 39 GLY HA2 1 40 PHE HB2 . . 4.720 3.986 3.948 4.021 . 0 0 "[ . 1 . 2]" 2
560 1 40 PHE HB2 1 53 ARG HA . . 4.880 4.632 4.317 4.912 0.032 10 0 "[ . 1 . 2]" 2
561 1 40 PHE HB2 1 48 PHE HB3 . . 4.770 4.443 4.329 4.636 . 0 0 "[ . 1 . 2]" 2
562 1 40 PHE HB2 1 48 PHE HB2 . . 4.550 3.271 3.175 3.407 . 0 0 "[ . 1 . 2]" 2
563 1 40 PHE HB2 1 53 ARG QB . . 3.570 2.962 2.843 3.029 . 0 0 "[ . 1 . 2]" 2
564 1 40 PHE HB2 1 47 LEU MD1 . . 4.780 4.163 4.077 4.288 . 0 0 "[ . 1 . 2]" 2
565 1 46 ASN HB2 1 47 LEU H . . 3.900 3.750 3.692 3.817 . 0 0 "[ . 1 . 2]" 2
566 1 29 PHE HB3 1 46 ASN HB2 . . 4.680 4.407 4.324 4.479 . 0 0 "[ . 1 . 2]" 2
567 1 29 PHE QE 1 46 ASN HB3 . . 4.860 4.141 4.097 4.165 . 0 0 "[ . 1 . 2]" 2
568 1 46 ASN HB3 1 46 ASN HD22 . . 3.990 3.833 3.820 3.858 . 0 0 "[ . 1 . 2]" 2
569 1 51 LEU H 1 51 LEU HB3 . . 3.680 3.581 3.553 3.602 . 0 0 "[ . 1 . 2]" 2
570 1 51 LEU HB3 1 52 HIS H . . 3.940 3.958 3.831 4.068 0.128 12 0 "[ . 1 . 2]" 2
571 1 51 LEU HB3 1 51 LEU MD1 . . 3.590 2.887 2.316 3.161 . 0 0 "[ . 1 . 2]" 2
572 1 51 LEU HB3 1 51 LEU MD2 . . 3.590 2.085 1.990 2.308 . 0 0 "[ . 1 . 2]" 2
573 1 33 LYS QE 1 33 LYS HG2 . . 3.890 2.503 2.053 3.382 . 0 0 "[ . 1 . 2]" 2
574 1 33 LYS QE 1 33 LYS HG3 . . 3.890 2.676 2.114 3.419 . 0 0 "[ . 1 . 2]" 2
575 1 33 LYS QE 1 35 VAL MG1 . . 5.000 4.136 2.269 5.042 0.042 3 0 "[ . 1 . 2]" 2
576 1 16 LYS QE 1 16 LYS QG . . 3.460 2.189 2.068 2.512 . 0 0 "[ . 1 . 2]" 2
577 1 64 TYR QD 1 65 LYS QE . . 5.500 4.546 3.005 5.504 0.004 1 0 "[ . 1 . 2]" 2
578 1 16 LYS QE 1 17 ALA H . . 5.500 4.733 2.871 5.453 . 0 0 "[ . 1 . 2]" 2
579 1 24 LYS H 1 24 LYS QE . . 5.500 4.662 3.455 5.360 . 0 0 "[ . 1 . 2]" 2
580 1 16 LYS HA 1 16 LYS QE . . 5.430 4.530 3.433 5.412 . 0 0 "[ . 1 . 2]" 2
581 1 24 LYS HA 1 24 LYS QE . . 5.500 4.442 3.451 5.442 . 0 0 "[ . 1 . 2]" 2
582 1 34 LYS HA 1 34 LYS QE . . 4.520 3.906 3.375 4.354 . 0 0 "[ . 1 . 2]" 2
583 1 54 TYR QE 1 57 LYS QE . . 5.500 4.220 2.670 5.278 . 0 0 "[ . 1 . 2]" 2
584 1 34 LYS H 1 34 LYS QE . . 4.850 4.605 4.049 4.872 0.022 11 0 "[ . 1 . 2]" 2
585 1 41 ASP H 1 41 ASP HB2 . . 3.740 2.886 2.314 3.673 . 0 0 "[ . 1 . 2]" 2
586 1 41 ASP HB2 1 47 LEU MD1 . . 5.220 4.825 4.000 5.231 0.011 10 0 "[ . 1 . 2]" 2
587 1 41 ASP HB3 1 47 LEU MD1 . . 5.220 4.743 3.858 5.258 0.038 8 0 "[ . 1 . 2]" 2
588 1 41 ASP H 1 41 ASP HB3 . . 3.740 3.137 2.272 3.687 . 0 0 "[ . 1 . 2]" 2
589 1 20 LEU HB2 1 21 PRO HD2 . . 3.830 3.180 1.990 3.857 0.027 7 0 "[ . 1 . 2]" 2
590 1 62 TYR HA 1 63 ASP HB2 . . 5.500 4.885 4.074 5.595 0.095 7 0 "[ . 1 . 2]" 2
591 1 63 ASP H 1 63 ASP HB3 . . 3.730 3.474 2.799 3.882 0.152 17 0 "[ . 1 . 2]" 2
592 1 38 THR HB 1 39 GLY H . . 4.630 4.397 4.196 4.478 . 0 0 "[ . 1 . 2]" 2
593 1 29 PHE HB3 1 46 ASN HB3 . . 3.870 2.661 2.586 2.729 . 0 0 "[ . 1 . 2]" 2
594 1 29 PHE HB2 1 30 MET H . . 4.630 4.583 4.570 4.597 . 0 0 "[ . 1 . 2]" 2
595 1 29 PHE HB2 1 47 LEU H . . 4.730 2.950 2.857 3.116 . 0 0 "[ . 1 . 2]" 2
596 1 29 PHE HB2 1 46 ASN HB3 . . 4.010 3.544 3.434 3.646 . 0 0 "[ . 1 . 2]" 2
597 1 56 ASP H 1 56 ASP HB2 . . 3.860 2.509 2.238 3.488 . 0 0 "[ . 1 . 2]" 2
598 1 56 ASP HB2 1 57 LYS H . . 4.520 4.055 3.659 4.512 . 0 0 "[ . 1 . 2]" 2
599 1 44 CYS HB3 1 62 TYR HB3 . . 4.380 3.931 3.788 4.003 . 0 0 "[ . 1 . 2]" 2
600 1 44 CYS HA 1 62 TYR HB3 . . 4.630 4.632 4.404 4.690 0.060 6 0 "[ . 1 . 2]" 2
601 1 62 TYR HB3 1 63 ASP HA . . 4.900 4.121 4.090 4.172 . 0 0 "[ . 1 . 2]" 2
602 1 44 CYS HA 1 62 TYR HB2 . . 4.040 3.219 3.051 3.288 . 0 0 "[ . 1 . 2]" 2
603 1 43 ARG HB2 1 62 TYR HB2 . . 4.580 3.636 3.507 3.811 . 0 0 "[ . 1 . 2]" 2
604 1 43 ARG HG3 1 64 TYR HB2 . . 4.590 3.763 3.400 3.916 . 0 0 "[ . 1 . 2]" 2
605 1 54 TYR HB3 1 55 SER HA . . 5.490 4.853 4.645 5.053 . 0 0 "[ . 1 . 2]" 2
606 1 54 TYR HB3 1 57 LYS QE . . 5.500 4.805 4.523 5.340 . 0 0 "[ . 1 . 2]" 2
607 1 54 TYR HB3 1 57 LYS HB2 . . 4.240 3.627 3.518 3.701 . 0 0 "[ . 1 . 2]" 2
608 1 54 TYR HB3 1 57 LYS HG2 . . 3.980 3.152 3.081 3.235 . 0 0 "[ . 1 . 2]" 2
609 1 54 TYR HB3 1 57 LYS HG3 . . 4.070 3.676 3.569 3.827 . 0 0 "[ . 1 . 2]" 2
610 1 64 TYR HB2 1 65 LYS H . . 4.620 3.887 3.715 4.034 . 0 0 "[ . 1 . 2]" 2
611 1 64 TYR H 1 64 TYR HB2 . . 3.790 3.594 3.568 3.613 . 0 0 "[ . 1 . 2]" 2
612 1 62 TYR QD 1 64 TYR HB3 . . 4.720 1.886 1.845 1.929 . 0 0 "[ . 1 . 2]" 2
613 1 54 TYR HB2 1 57 LYS HB2 . . 4.050 2.043 1.976 2.113 . 0 0 "[ . 1 . 2]" 2
614 1 54 TYR HB2 1 57 LYS HG2 . . 3.800 2.137 1.997 2.267 . 0 0 "[ . 1 . 2]" 2
615 1 54 TYR HB2 1 57 LYS HG3 . . 4.000 2.169 2.065 2.392 . 0 0 "[ . 1 . 2]" 2
616 1 54 TYR HB2 1 56 ASP H . . 4.440 3.661 3.411 4.198 . 0 0 "[ . 1 . 2]" 2
617 1 14 GLU H 1 14 GLU QG . . 5.010 3.313 2.003 4.437 . 0 0 "[ . 1 . 2]" 2
618 1 14 GLU H 1 15 GLU QG . . 4.670 3.881 2.914 4.597 . 0 0 "[ . 1 . 2]" 2
619 1 51 LEU HA 1 54 TYR QE . . 3.800 3.397 3.067 3.870 0.070 10 0 "[ . 1 . 2]" 2
620 1 53 ARG HD2 1 54 TYR QE . . 5.170 4.997 3.975 5.170 0.000 18 0 "[ . 1 . 2]" 2
621 1 54 TYR QE 1 57 LYS HG2 . . 5.500 5.064 4.206 5.209 . 0 0 "[ . 1 . 2]" 2
622 1 54 TYR QE 1 57 LYS QD . . 5.500 5.093 4.568 5.344 . 0 0 "[ . 1 . 2]" 2
623 1 53 ARG HG3 1 54 TYR QE . . 4.580 3.915 2.912 4.049 . 0 0 "[ . 1 . 2]" 2
624 1 27 ARG HB2 1 28 CYS H . . 4.220 4.201 4.092 4.262 0.042 19 0 "[ . 1 . 2]" 2
625 1 27 ARG HB2 1 33 LYS H . . 5.500 5.361 5.191 5.510 0.010 19 0 "[ . 1 . 2]" 2
626 1 27 ARG HB2 1 32 ARG HA . . 4.470 4.293 4.137 4.440 . 0 0 "[ . 1 . 2]" 2
627 1 27 ARG HB2 1 27 ARG HD3 . . 3.850 3.560 3.484 3.691 . 0 0 "[ . 1 . 2]" 2
628 1 27 ARG HB3 1 33 LYS H . . 4.410 3.673 3.480 3.847 . 0 0 "[ . 1 . 2]" 2
629 1 27 ARG HB3 1 34 LYS HA . . 4.640 4.389 4.297 4.518 . 0 0 "[ . 1 . 2]" 2
630 1 27 ARG HB3 1 27 ARG HD2 . . 3.900 2.469 2.296 2.569 . 0 0 "[ . 1 . 2]" 2
631 1 52 HIS HD2 1 57 LYS HB3 . . 3.510 2.814 2.438 2.947 . 0 0 "[ . 1 . 2]" 2
632 1 52 HIS HD2 1 57 LYS QD . . 4.040 3.479 2.743 3.939 . 0 0 "[ . 1 . 2]" 2
633 1 53 ARG HG2 1 54 TYR QE . . 4.390 3.081 2.387 3.236 . 0 0 "[ . 1 . 2]" 2
634 1 29 PHE QD 1 30 MET QB . . 4.700 2.771 2.702 2.844 . 0 0 "[ . 1 . 2]" 2
635 1 30 MET QB 1 52 HIS HD2 . . 4.330 4.356 4.299 4.393 0.063 18 0 "[ . 1 . 2]" 2
636 1 30 MET QB 1 58 HIS HB2 . . 4.210 2.409 2.307 2.511 . 0 0 "[ . 1 . 2]" 2
637 1 30 MET QB 1 58 HIS HB3 . . 4.520 2.840 2.547 2.988 . 0 0 "[ . 1 . 2]" 2
638 1 27 ARG HB2 1 34 LYS HA . . 5.220 4.671 4.518 4.845 . 0 0 "[ . 1 . 2]" 2
639 1 52 HIS HD2 1 57 LYS HA . . 4.750 4.382 4.148 4.499 . 0 0 "[ . 1 . 2]" 2
640 1 55 SER HB2 1 60 CYS H . . 4.670 3.799 3.434 4.232 . 0 0 "[ . 1 . 2]" 2
641 1 55 SER HB2 1 64 TYR QE . . 4.760 3.570 3.311 4.244 . 0 0 "[ . 1 . 2]" 2
642 1 55 SER HB2 1 60 CYS HB3 . . 3.690 2.368 2.113 3.339 . 0 0 "[ . 1 . 2]" 2
643 1 55 SER HB2 1 60 CYS HB2 . . 3.740 3.384 3.151 3.859 0.119 13 0 "[ . 1 . 2]" 2
644 1 55 SER HB3 1 60 CYS H . . 4.670 4.633 3.734 4.725 0.055 10 0 "[ . 1 . 2]" 2
645 1 55 SER HB3 1 60 CYS HB3 . . 3.690 2.824 1.988 3.044 . 0 0 "[ . 1 . 2]" 2
646 1 55 SER HB3 1 60 CYS HB2 . . 3.740 3.296 2.524 3.497 . 0 0 "[ . 1 . 2]" 2
647 1 55 SER HB2 1 56 ASP H . . 4.500 3.576 2.509 3.828 . 0 0 "[ . 1 . 2]" 2
648 1 55 SER HB3 1 64 TYR QE . . 4.760 2.835 2.656 3.164 . 0 0 "[ . 1 . 2]" 2
649 1 33 LYS HB2 1 34 LYS H . . 4.130 3.942 3.740 4.096 . 0 0 "[ . 1 . 2]" 2
650 1 33 LYS H 1 33 LYS HB2 . . 3.220 3.159 3.056 3.234 0.014 4 0 "[ . 1 . 2]" 2
651 1 33 LYS HB2 1 33 LYS QE . . 4.560 3.901 2.514 4.290 . 0 0 "[ . 1 . 2]" 2
652 1 33 LYS HB2 1 49 CYS HB3 . . 5.500 4.918 4.578 5.180 . 0 0 "[ . 1 . 2]" 2
653 1 33 LYS HB3 1 34 LYS H . . 4.220 4.091 3.951 4.251 0.031 12 0 "[ . 1 . 2]" 2
654 1 33 LYS HB3 1 33 LYS QE . . 4.520 3.628 2.424 4.087 . 0 0 "[ . 1 . 2]" 2
655 1 62 TYR HB3 1 64 TYR QE . . 3.940 2.881 2.562 3.338 . 0 0 "[ . 1 . 2]" 2
656 1 55 SER HA 1 64 TYR QE . . 4.670 4.626 4.364 4.715 0.045 17 0 "[ . 1 . 2]" 2
657 1 64 TYR QE 1 65 LYS QE . . 4.970 4.145 2.460 4.974 0.004 18 0 "[ . 1 . 2]" 2
658 1 60 CYS HB3 1 64 TYR QE . . 3.920 3.478 2.884 3.684 . 0 0 "[ . 1 . 2]" 2
659 1 60 CYS HB2 1 64 TYR QE . . 4.740 4.463 3.725 4.695 . 0 0 "[ . 1 . 2]" 2
660 1 43 ARG HG3 1 64 TYR QE . . 4.670 3.203 2.701 3.931 . 0 0 "[ . 1 . 2]" 2
661 1 64 TYR QE 1 65 LYS QG . . 4.600 4.065 2.681 4.623 0.023 9 0 "[ . 1 . 2]" 2
662 1 44 CYS HA 1 62 TYR QE . . 3.730 3.278 3.008 3.467 . 0 0 "[ . 1 . 2]" 2
663 1 62 TYR HA 1 62 TYR QE . . 4.420 4.193 4.139 4.285 . 0 0 "[ . 1 . 2]" 2
664 1 44 CYS HB2 1 62 TYR QE . . 5.250 5.224 5.070 5.291 0.041 5 0 "[ . 1 . 2]" 2
665 1 43 ARG HB3 1 62 TYR QE . . 4.690 2.485 2.250 2.985 . 0 0 "[ . 1 . 2]" 2
666 1 43 ARG HB2 1 62 TYR QE . . 4.100 3.536 3.384 3.864 . 0 0 "[ . 1 . 2]" 2
667 1 43 ARG HG2 1 62 TYR QE . . 5.500 5.117 4.924 5.519 0.019 13 0 "[ . 1 . 2]" 2
668 1 62 TYR QE 1 64 TYR QD . . 5.190 4.138 3.903 4.620 . 0 0 "[ . 1 . 2]" 2
669 1 16 LYS HB2 1 17 ALA H . . 4.500 3.365 2.047 4.431 . 0 0 "[ . 1 . 2]" 2
670 1 16 LYS HB3 1 17 ALA H . . 4.500 3.779 2.393 4.202 . 0 0 "[ . 1 . 2]" 2
671 1 35 VAL HA 1 49 CYS HA . . 4.290 4.177 3.994 4.284 . 0 0 "[ . 1 . 2]" 2
672 1 35 VAL HA 1 49 CYS HB2 . . 4.250 4.141 3.923 4.266 0.016 7 0 "[ . 1 . 2]" 2
673 1 35 VAL HA 1 49 CYS HB3 . . 4.340 4.288 4.148 4.361 0.021 11 0 "[ . 1 . 2]" 2
674 1 35 VAL HA 1 35 VAL HB . . 2.950 2.383 2.350 2.419 . 0 0 "[ . 1 . 2]" 2
675 1 31 CYS H 1 31 CYS HB2 . . 3.810 3.724 3.707 3.750 . 0 0 "[ . 1 . 2]" 2
676 1 57 LYS H 1 57 LYS HB3 . . 3.690 3.597 3.536 3.640 . 0 0 "[ . 1 . 2]" 2
677 1 57 LYS HB3 1 58 HIS H . . 5.130 3.412 3.136 3.652 . 0 0 "[ . 1 . 2]" 2
678 1 54 TYR H 1 57 LYS HB3 . . 4.750 4.528 4.189 4.648 . 0 0 "[ . 1 . 2]" 2
679 1 52 HIS HB3 1 57 LYS HB3 . . 4.650 3.336 3.157 3.486 . 0 0 "[ . 1 . 2]" 2
680 1 54 TYR HB2 1 57 LYS HB3 . . 4.470 3.452 3.382 3.512 . 0 0 "[ . 1 . 2]" 2
681 1 57 LYS HB3 1 58 HIS HB3 . . 4.980 3.964 3.854 4.093 . 0 0 "[ . 1 . 2]" 2
682 1 57 LYS HB3 1 57 LYS QD . . 3.180 2.358 2.292 2.528 . 0 0 "[ . 1 . 2]" 2
683 1 52 HIS HD2 1 57 LYS HB2 . . 4.560 4.460 4.167 4.583 0.023 15 0 "[ . 1 . 2]" 2
684 1 29 PHE HA 1 46 ASN HB3 . . 5.480 5.381 5.293 5.460 . 0 0 "[ . 1 . 2]" 2
685 1 52 HIS HB2 1 53 ARG H . . 4.450 3.407 3.284 3.515 . 0 0 "[ . 1 . 2]" 2
686 1 48 PHE HD2 1 52 HIS HB2 . . 4.280 2.023 1.965 2.224 . 0 0 "[ . 1 . 2]" 2
687 1 52 HIS HB2 1 58 HIS HB3 . . 4.290 3.535 3.393 3.818 . 0 0 "[ . 1 . 2]" 2
688 1 30 MET QB 1 52 HIS HB2 . . 4.080 2.850 2.697 2.999 . 0 0 "[ . 1 . 2]" 2
689 1 48 PHE HD2 1 52 HIS HB3 . . 4.890 2.603 2.371 2.935 . 0 0 "[ . 1 . 2]" 2
690 1 31 CYS H 1 52 HIS HB3 . . 5.500 5.525 5.433 5.563 0.063 12 0 "[ . 1 . 2]" 2
691 1 52 HIS H 1 52 HIS HB3 . . 3.770 3.740 3.714 3.759 . 0 0 "[ . 1 . 2]" 2
692 1 52 HIS HB3 1 53 ARG H . . 4.440 4.184 4.063 4.277 . 0 0 "[ . 1 . 2]" 2
693 1 30 MET QB 1 52 HIS HB3 . . 4.210 2.927 2.796 3.022 . 0 0 "[ . 1 . 2]" 2
694 1 52 HIS HB3 1 58 HIS HB3 . . 4.600 2.047 1.982 2.282 . 0 0 "[ . 1 . 2]" 2
695 1 35 VAL HB 1 49 CYS HA . . 3.970 2.774 2.621 2.911 . 0 0 "[ . 1 . 2]" 2
696 1 35 VAL HB 1 39 GLY HA3 . . 3.700 3.226 3.048 3.365 . 0 0 "[ . 1 . 2]" 2
697 1 52 HIS HB2 1 58 HIS HB2 . . 5.260 4.838 4.692 5.234 . 0 0 "[ . 1 . 2]" 2
698 1 30 MET HG3 1 52 HIS HB2 . . 4.720 4.166 3.827 4.847 0.127 15 0 "[ . 1 . 2]" 2
699 1 35 VAL HB 1 39 GLY HA2 . . 3.490 2.097 1.990 2.220 . 0 0 "[ . 1 . 2]" 2
700 1 28 CYS HB3 1 33 LYS HB3 . . 4.460 3.461 3.344 3.581 . 0 0 "[ . 1 . 2]" 2
701 1 28 CYS HB3 1 49 CYS H . . 4.380 4.191 4.072 4.276 . 0 0 "[ . 1 . 2]" 2
702 1 28 CYS HB3 1 30 MET H . . 3.810 3.134 3.089 3.183 . 0 0 "[ . 1 . 2]" 2
703 1 27 ARG HA 1 28 CYS HB3 . . 5.100 4.925 4.878 4.988 . 0 0 "[ . 1 . 2]" 2
704 1 28 CYS HB3 1 33 LYS HB2 . . 4.540 4.429 4.269 4.520 . 0 0 "[ . 1 . 2]" 2
705 1 28 CYS HB3 1 35 VAL MG1 . . 4.090 3.872 3.699 3.968 . 0 0 "[ . 1 . 2]" 2
706 1 28 CYS HB2 1 49 CYS HA . . 4.200 4.115 4.003 4.207 0.007 15 0 "[ . 1 . 2]" 2
707 1 28 CYS HB2 1 33 LYS HB3 . . 4.640 3.084 2.912 3.288 . 0 0 "[ . 1 . 2]" 2
708 1 28 CYS HB2 1 35 VAL MG1 . . 3.640 2.617 2.447 2.713 . 0 0 "[ . 1 . 2]" 2
709 1 34 LYS HB2 1 34 LYS QE . . 4.380 2.685 1.989 3.396 . 0 0 "[ . 1 . 2]" 2
710 1 34 LYS HB2 1 35 VAL H . . 4.720 4.465 4.300 4.583 . 0 0 "[ . 1 . 2]" 2
711 1 34 LYS HB3 1 35 VAL H . . 4.720 4.259 4.031 4.452 . 0 0 "[ . 1 . 2]" 2
712 1 34 LYS HB3 1 34 LYS QE . . 4.380 2.813 2.000 3.718 . 0 0 "[ . 1 . 2]" 2
713 1 30 MET HG2 1 31 CYS H . . 4.650 4.263 3.185 4.452 . 0 0 "[ . 1 . 2]" 2
714 1 30 MET HG2 1 52 HIS HD2 . . 4.420 2.922 2.767 3.291 . 0 0 "[ . 1 . 2]" 2
715 1 30 MET HA 1 30 MET HG2 . . 4.250 3.848 3.808 3.883 . 0 0 "[ . 1 . 2]" 2
716 1 30 MET HG2 1 52 HIS HB2 . . 4.720 3.604 3.258 3.919 . 0 0 "[ . 1 . 2]" 2
717 1 30 MET HG2 1 58 HIS HB2 . . 5.000 3.466 3.141 4.817 . 0 0 "[ . 1 . 2]" 2
718 1 30 MET HG2 1 52 HIS HB3 . . 4.660 2.765 2.474 3.170 . 0 0 "[ . 1 . 2]" 2
719 1 61 PRO HB2 1 62 TYR HA . . 5.290 4.092 4.053 4.129 . 0 0 "[ . 1 . 2]" 2
720 1 44 CYS HB2 1 61 PRO HB2 . . 5.500 4.810 4.670 4.966 . 0 0 "[ . 1 . 2]" 2
721 1 23 PRO HB3 1 24 LYS H . . 4.640 4.276 3.857 4.624 . 0 0 "[ . 1 . 2]" 2
722 1 23 PRO HB2 1 24 LYS H . . 4.640 3.581 2.842 4.233 . 0 0 "[ . 1 . 2]" 2
723 1 60 CYS HA 1 61 PRO HB3 . . 5.100 4.877 4.869 4.892 . 0 0 "[ . 1 . 2]" 2
724 1 30 MET HG3 1 52 HIS HD2 . . 4.420 3.800 3.609 4.287 . 0 0 "[ . 1 . 2]" 2
725 1 30 MET HG3 1 52 HIS HB3 . . 4.660 3.933 3.732 4.339 . 0 0 "[ . 1 . 2]" 2
726 1 42 CYS HB3 1 48 PHE HD1 . . 4.290 3.697 3.656 3.763 . 0 0 "[ . 1 . 2]" 2
727 1 42 CYS HB3 1 48 PHE HZ . . 4.390 3.907 3.843 3.946 . 0 0 "[ . 1 . 2]" 2
728 1 41 ASP HA 1 42 CYS HB3 . . 4.970 4.724 4.704 4.734 . 0 0 "[ . 1 . 2]" 2
729 1 41 ASP HA 1 42 CYS HB2 . . 4.670 4.504 4.479 4.542 . 0 0 "[ . 1 . 2]" 2
730 1 42 CYS HB2 1 48 PHE HD1 . . 3.980 2.558 2.513 2.640 . 0 0 "[ . 1 . 2]" 2
731 1 40 PHE QD 1 42 CYS HB2 . . 4.630 4.103 3.897 4.271 . 0 0 "[ . 1 . 2]" 2
732 1 60 CYS HA 1 61 PRO HD2 . . 3.390 1.983 1.962 1.998 . 0 0 "[ . 1 . 2]" 2
733 1 60 CYS HA 1 61 PRO HG3 . . 4.520 4.316 4.314 4.320 . 0 0 "[ . 1 . 2]" 2
734 1 42 CYS HB2 1 48 PHE HZ . . 4.510 4.048 3.949 4.134 . 0 0 "[ . 1 . 2]" 2
735 1 60 CYS HA 1 61 PRO HG2 . . 4.350 4.180 4.163 4.191 . 0 0 "[ . 1 . 2]" 2
736 1 49 CYS HB2 1 51 LEU H . . 4.190 3.777 3.711 3.834 . 0 0 "[ . 1 . 2]" 2
737 1 49 CYS HB2 1 50 GLY HA3 . . 5.030 5.012 4.976 5.043 0.013 11 0 "[ . 1 . 2]" 2
738 1 49 CYS HB2 1 50 GLY H . . 4.670 4.461 4.437 4.477 . 0 0 "[ . 1 . 2]" 2
739 1 35 VAL HB 1 49 CYS HB2 . . 4.460 4.143 3.966 4.405 . 0 0 "[ . 1 . 2]" 2
740 1 44 CYS HB2 1 62 TYR HB3 . . 5.500 5.395 5.217 5.485 . 0 0 "[ . 1 . 2]" 2
741 1 44 CYS H 1 44 CYS HB2 . . 3.890 3.593 3.590 3.598 . 0 0 "[ . 1 . 2]" 2
742 1 44 CYS HB2 1 62 TYR QD . . 4.150 3.686 3.405 3.821 . 0 0 "[ . 1 . 2]" 2
743 1 44 CYS HB2 1 61 PRO HD2 . . 3.660 3.013 2.891 3.109 . 0 0 "[ . 1 . 2]" 2
744 1 44 CYS HB2 1 60 CYS HA . . 4.870 4.795 4.641 4.878 0.008 9 0 "[ . 1 . 2]" 2
745 1 44 CYS HB2 1 62 TYR HB2 . . 4.150 3.640 3.460 3.731 . 0 0 "[ . 1 . 2]" 2
746 1 44 CYS HB2 1 61 PRO HG3 . . 4.160 3.605 3.475 3.729 . 0 0 "[ . 1 . 2]" 2
747 1 44 CYS HB2 1 61 PRO HG2 . . 3.780 2.558 2.416 2.711 . 0 0 "[ . 1 . 2]" 2
748 1 44 CYS HB3 1 62 TYR HB2 . . 4.200 2.219 2.094 2.293 . 0 0 "[ . 1 . 2]" 2
749 1 44 CYS HB3 1 62 TYR QD . . 4.110 3.467 3.180 3.648 . 0 0 "[ . 1 . 2]" 2
750 1 44 CYS HB3 1 61 PRO HD2 . . 3.730 2.809 2.773 2.837 . 0 0 "[ . 1 . 2]" 2
751 1 44 CYS HB3 1 60 CYS HA . . 4.560 4.129 4.028 4.177 . 0 0 "[ . 1 . 2]" 2
752 1 44 CYS HB3 1 62 TYR HA . . 5.050 4.336 4.261 4.479 . 0 0 "[ . 1 . 2]" 2
753 1 44 CYS HB3 1 61 PRO HG2 . . 3.990 3.118 3.050 3.176 . 0 0 "[ . 1 . 2]" 2
754 1 62 TYR HA 1 63 ASP H . . 3.090 2.508 2.448 2.663 . 0 0 "[ . 1 . 2]" 2
755 1 62 TYR HA 1 62 TYR QD . . 3.410 2.259 2.126 2.494 . 0 0 "[ . 1 . 2]" 2
756 1 44 CYS HA 1 62 TYR HA . . 4.850 4.423 4.306 4.524 . 0 0 "[ . 1 . 2]" 2
757 1 62 TYR HA 1 63 ASP HA . . 5.160 4.474 4.457 4.485 . 0 0 "[ . 1 . 2]" 2
758 1 33 LYS QD 1 49 CYS HB2 . . 4.440 3.223 2.512 4.173 . 0 0 "[ . 1 . 2]" 2
759 1 28 CYS HA 1 49 CYS HB3 . . 4.630 4.223 4.081 4.375 . 0 0 "[ . 1 . 2]" 2
760 1 49 CYS HB3 1 50 GLY H . . 4.550 4.553 4.533 4.573 0.023 13 0 "[ . 1 . 2]" 2
761 1 49 CYS HB3 1 51 LEU H . . 4.710 4.551 4.501 4.658 . 0 0 "[ . 1 . 2]" 2
762 1 35 VAL HB 1 49 CYS HB3 . . 4.510 4.045 3.805 4.263 . 0 0 "[ . 1 . 2]" 2
763 1 33 LYS HB3 1 49 CYS HB3 . . 4.730 3.182 2.842 3.433 . 0 0 "[ . 1 . 2]" 2
764 1 33 LYS QD 1 49 CYS HB3 . . 5.090 3.399 2.820 4.149 . 0 0 "[ . 1 . 2]" 2
765 1 55 SER HA 1 60 CYS HB3 . . 3.810 2.635 2.431 2.940 . 0 0 "[ . 1 . 2]" 2
766 1 58 HIS HD2 1 60 CYS HB3 . . 5.030 4.723 4.581 4.791 . 0 0 "[ . 1 . 2]" 2
767 1 60 CYS HB3 1 61 PRO HD2 . . 4.670 4.282 4.245 4.336 . 0 0 "[ . 1 . 2]" 2
768 1 55 SER HA 1 60 CYS HB2 . . 3.670 1.944 1.882 1.965 . 0 0 "[ . 1 . 2]" 2
769 1 60 CYS HB3 1 62 TYR H . . 4.720 4.200 4.058 4.336 . 0 0 "[ . 1 . 2]" 2
770 1 60 CYS HB2 1 61 PRO HD2 . . 4.710 4.030 3.985 4.083 . 0 0 "[ . 1 . 2]" 2
771 1 62 TYR QD 1 64 TYR HA . . 3.860 3.918 3.746 4.011 0.151 20 0 "[ . 1 . 2]" 2
772 1 40 PHE QE 1 42 CYS HA . . 5.090 4.455 4.266 4.703 . 0 0 "[ . 1 . 2]" 2
773 1 42 CYS HA 1 48 PHE HD1 . . 5.370 4.428 4.378 4.497 . 0 0 "[ . 1 . 2]" 2
774 1 43 ARG HA 1 45 GLY H . . 3.950 3.374 3.327 3.412 . 0 0 "[ . 1 . 2]" 2
775 1 43 ARG HA 1 62 TYR QE . . 5.500 4.563 4.371 4.962 . 0 0 "[ . 1 . 2]" 2
776 1 43 ARG HA 1 43 ARG HG2 . . 3.570 2.861 2.718 2.997 . 0 0 "[ . 1 . 2]" 2
777 1 28 CYS HA 1 29 PHE HB3 . . 4.420 4.159 4.152 4.168 . 0 0 "[ . 1 . 2]" 2
778 1 28 CYS HA 1 29 PHE HB2 . . 5.350 5.038 5.009 5.073 . 0 0 "[ . 1 . 2]" 2
779 1 27 ARG HA 1 28 CYS HA . . 4.380 4.309 4.298 4.320 . 0 0 "[ . 1 . 2]" 2
780 1 28 CYS HA 1 47 LEU HG . . 4.710 2.537 2.425 2.656 . 0 0 "[ . 1 . 2]" 2
781 1 48 PHE H 1 53 ARG HA . . 4.950 4.881 4.728 4.976 0.026 7 0 "[ . 1 . 2]" 2
782 1 48 PHE HD1 1 53 ARG HA . . 4.000 3.160 3.028 3.300 . 0 0 "[ . 1 . 2]" 2
783 1 40 PHE QD 1 53 ARG HA . . 4.300 3.635 3.557 3.857 . 0 0 "[ . 1 . 2]" 2
784 1 48 PHE HA 1 53 ARG HA . . 5.200 5.024 4.912 5.142 . 0 0 "[ . 1 . 2]" 2
785 1 48 PHE HB3 1 53 ARG HA . . 3.340 3.010 2.837 3.192 . 0 0 "[ . 1 . 2]" 2
786 1 40 PHE HB3 1 53 ARG HA . . 4.380 3.346 3.048 3.591 . 0 0 "[ . 1 . 2]" 2
787 1 48 PHE HB2 1 53 ARG HA . . 3.210 2.347 2.207 2.457 . 0 0 "[ . 1 . 2]" 2
788 1 53 ARG HA 1 53 ARG HD2 . . 4.690 4.674 4.603 4.740 0.050 13 0 "[ . 1 . 2]" 2
789 1 53 ARG HA 1 53 ARG HD3 . . 4.990 4.901 4.800 5.005 0.015 10 0 "[ . 1 . 2]" 2
790 1 28 CYS H 1 32 ARG HA . . 4.170 3.466 3.354 3.583 . 0 0 "[ . 1 . 2]" 2
791 1 27 ARG HB3 1 32 ARG HA . . 3.570 2.705 2.586 2.832 . 0 0 "[ . 1 . 2]" 2
792 1 28 CYS HB3 1 32 ARG HA . . 4.310 2.927 2.851 3.023 . 0 0 "[ . 1 . 2]" 2
793 1 28 CYS HB2 1 32 ARG HA . . 4.740 4.316 4.213 4.408 . 0 0 "[ . 1 . 2]" 2
794 1 27 ARG HA 1 32 ARG HA . . 4.830 4.657 4.514 4.780 . 0 0 "[ . 1 . 2]" 2
795 1 48 PHE HZ 1 58 HIS HB2 . . 4.860 3.951 3.670 4.154 . 0 0 "[ . 1 . 2]" 2
796 1 30 MET HG3 1 58 HIS HB2 . . 5.000 4.768 4.580 4.966 . 0 0 "[ . 1 . 2]" 2
797 1 43 ARG H 1 43 ARG HB3 . . 3.720 3.593 3.585 3.598 . 0 0 "[ . 1 . 2]" 2
798 1 28 CYS H 1 34 LYS HA . . 4.300 4.205 4.032 4.318 0.018 9 0 "[ . 1 . 2]" 2
799 1 27 ARG HA 1 34 LYS HA . . 3.450 2.786 2.512 2.953 . 0 0 "[ . 1 . 2]" 2
800 1 27 ARG HG2 1 34 LYS HA . . 3.810 2.032 1.985 2.187 . 0 0 "[ . 1 . 2]" 2
801 1 34 LYS HA 1 35 VAL MG2 . . 4.150 3.959 3.842 4.118 . 0 0 "[ . 1 . 2]" 2
802 1 34 LYS H 1 34 LYS QD . . 4.690 4.408 4.042 4.629 . 0 0 "[ . 1 . 2]" 2
803 1 34 LYS HA 1 34 LYS QD . . 4.040 2.504 1.978 3.072 . 0 0 "[ . 1 . 2]" 2
804 1 27 ARG HD2 1 34 LYS HA . . 5.400 4.903 4.747 5.118 . 0 0 "[ . 1 . 2]" 2
805 1 53 ARG HG3 1 54 TYR HA . . 4.500 3.148 3.076 3.348 . 0 0 "[ . 1 . 2]" 2
806 1 33 LYS H 1 33 LYS QD . . 4.610 4.479 4.325 4.638 0.028 7 0 "[ . 1 . 2]" 2
807 1 33 LYS HA 1 33 LYS QD . . 4.390 4.143 3.998 4.289 . 0 0 "[ . 1 . 2]" 2
808 1 16 LYS QD 1 17 ALA HA . . 5.130 4.449 2.596 5.139 0.009 12 0 "[ . 1 . 2]" 2
809 1 39 GLY HA2 1 49 CYS HA . . 4.380 2.964 2.827 3.096 . 0 0 "[ . 1 . 2]" 2
810 1 24 LYS H 1 24 LYS QD . . 4.740 3.674 1.885 4.673 . 0 0 "[ . 1 . 2]" 2
811 1 24 LYS HA 1 24 LYS QD . . 4.080 3.107 1.985 4.133 0.053 5 0 "[ . 1 . 2]" 2
812 1 30 MET HA 1 30 MET HG3 . . 4.250 3.465 2.842 3.547 . 0 0 "[ . 1 . 2]" 2
813 1 30 MET H 1 48 PHE HA . . 4.200 3.964 3.904 4.004 . 0 0 "[ . 1 . 2]" 2
814 1 48 PHE HA 1 49 CYS HA . . 4.760 4.330 4.323 4.333 . 0 0 "[ . 1 . 2]" 2
815 1 28 CYS HA 1 48 PHE HA . . 3.260 2.583 2.521 2.623 . 0 0 "[ . 1 . 2]" 2
816 1 28 CYS HB2 1 48 PHE HA . . 4.050 3.640 3.569 3.683 . 0 0 "[ . 1 . 2]" 2
817 1 47 LEU MD1 1 48 PHE HA . . 4.830 4.084 4.027 4.153 . 0 0 "[ . 1 . 2]" 2
818 1 48 PHE HA 1 48 PHE HD1 . . 4.370 4.001 3.953 4.074 . 0 0 "[ . 1 . 2]" 2
819 1 48 PHE HA 1 48 PHE HE2 . . 5.220 5.073 5.019 5.109 . 0 0 "[ . 1 . 2]" 2
820 1 28 CYS HB3 1 48 PHE HA . . 4.400 4.372 4.329 4.405 0.005 13 0 "[ . 1 . 2]" 2
821 1 67 GLU HA 1 67 GLU QG . . 3.680 2.607 2.169 3.338 . 0 0 "[ . 1 . 2]" 2
822 1 65 LYS HA 1 65 LYS QG . . 3.460 3.245 2.638 3.423 . 0 0 "[ . 1 . 2]" 2
823 1 24 LYS HA 1 47 LEU MD2 . . 5.170 4.657 3.750 5.110 . 0 0 "[ . 1 . 2]" 2
824 1 57 LYS H 1 57 LYS QD . . 4.270 4.258 4.175 4.328 0.058 6 0 "[ . 1 . 2]" 2
825 1 27 ARG HG3 1 34 LYS QD . . 4.720 3.901 2.808 4.745 0.025 14 0 "[ . 1 . 2]" 2
826 1 54 TYR QD 1 57 LYS QD . . 4.190 3.989 3.390 4.209 0.019 16 0 "[ . 1 . 2]" 2
827 1 57 LYS HA 1 57 LYS QD . . 3.080 1.983 1.955 2.083 . 0 0 "[ . 1 . 2]" 2
828 1 54 TYR HB2 1 57 LYS QD . . 4.160 3.915 3.840 3.939 . 0 0 "[ . 1 . 2]" 2
829 1 57 LYS QD 1 57 LYS HG3 . . 2.740 2.337 2.220 2.488 . 0 0 "[ . 1 . 2]" 2
830 1 54 TYR HB3 1 57 LYS QD . . 5.320 5.096 4.831 5.156 . 0 0 "[ . 1 . 2]" 2
831 1 27 ARG HA 1 27 ARG HG2 . . 3.910 2.264 2.174 2.338 . 0 0 "[ . 1 . 2]" 2
832 1 27 ARG H 1 27 ARG HG2 . . 4.560 4.357 4.121 4.499 . 0 0 "[ . 1 . 2]" 2
833 1 27 ARG HG3 1 28 CYS H . . 4.980 4.782 4.590 4.954 . 0 0 "[ . 1 . 2]" 2
834 1 27 ARG H 1 27 ARG HG3 . . 4.700 3.742 3.572 3.807 . 0 0 "[ . 1 . 2]" 2
835 1 27 ARG HG2 1 28 CYS H . . 4.670 3.565 3.398 3.713 . 0 0 "[ . 1 . 2]" 2
836 1 27 ARG HG2 1 32 ARG HA . . 4.780 4.682 4.555 4.788 0.008 19 0 "[ . 1 . 2]" 2
837 1 27 ARG HA 1 27 ARG HG3 . . 3.830 2.961 2.825 3.145 . 0 0 "[ . 1 . 2]" 2
838 1 27 ARG HG3 1 34 LYS HA . . 3.890 3.003 2.639 3.389 . 0 0 "[ . 1 . 2]" 2
839 1 17 ALA HA 1 18 PRO QG . . 4.550 3.914 3.793 4.032 . 0 0 "[ . 1 . 2]" 2
840 1 47 LEU HA 1 47 LEU HG . . 3.990 3.268 3.234 3.297 . 0 0 "[ . 1 . 2]" 2
841 1 44 CYS HB3 1 61 PRO HG3 . . 4.570 4.483 4.425 4.525 . 0 0 "[ . 1 . 2]" 2
842 1 61 PRO HG2 1 62 TYR HA . . 5.000 4.046 4.035 4.084 . 0 0 "[ . 1 . 2]" 2
843 1 37 LEU HA 1 37 LEU HG . . 3.770 3.116 2.311 3.752 . 0 0 "[ . 1 . 2]" 2
844 1 58 HIS HA 1 60 CYS H . . 5.500 5.037 4.963 5.130 . 0 0 "[ . 1 . 2]" 2
845 1 58 HIS HA 1 58 HIS HD2 . . 4.510 4.242 4.213 4.255 . 0 0 "[ . 1 . 2]" 2
846 1 57 LYS HA 1 57 LYS HG3 . . 4.200 3.667 3.646 3.678 . 0 0 "[ . 1 . 2]" 2
847 1 43 ARG H 1 43 ARG HG3 . . 3.840 3.294 3.141 3.401 . 0 0 "[ . 1 . 2]" 2
848 1 43 ARG HG3 1 44 CYS H . . 5.100 4.826 4.649 4.940 . 0 0 "[ . 1 . 2]" 2
849 1 43 ARG HG3 1 62 TYR QD . . 4.350 3.545 3.307 4.064 . 0 0 "[ . 1 . 2]" 2
850 1 43 ARG HA 1 43 ARG HG3 . . 3.990 3.832 3.782 3.881 . 0 0 "[ . 1 . 2]" 2
851 1 56 ASP HA 1 58 HIS H . . 4.800 4.411 4.119 4.702 . 0 0 "[ . 1 . 2]" 2
852 1 31 CYS HA 1 52 HIS HE1 . . 4.500 4.406 4.360 4.455 . 0 0 "[ . 1 . 2]" 2
853 1 31 CYS HB2 1 52 HIS HE1 . . 3.330 3.230 3.091 3.330 0.000 13 0 "[ . 1 . 2]" 2
854 1 31 CYS HB3 1 52 HIS HE1 . . 2.960 1.977 1.954 2.031 . 0 0 "[ . 1 . 2]" 2
855 1 51 LEU HB2 1 52 HIS HE1 . . 4.600 3.985 3.575 4.345 . 0 0 "[ . 1 . 2]" 2
856 1 47 LEU MD2 1 48 PHE H . . 4.680 4.342 4.227 4.474 . 0 0 "[ . 1 . 2]" 2
857 1 26 ASN HA 1 47 LEU MD2 . . 3.350 2.394 2.200 2.510 . 0 0 "[ . 1 . 2]" 2
858 1 39 GLY HA3 1 47 LEU MD2 . . 4.420 3.793 3.685 3.930 . 0 0 "[ . 1 . 2]" 2
859 1 26 ASN HB2 1 47 LEU MD2 . . 4.660 4.146 3.728 4.670 0.010 12 0 "[ . 1 . 2]" 2
860 1 26 ASN HB3 1 47 LEU MD2 . . 4.660 4.242 4.143 4.383 . 0 0 "[ . 1 . 2]" 2
861 1 24 LYS HB2 1 47 LEU MD2 . . 4.020 3.405 2.436 4.041 0.021 16 0 "[ . 1 . 2]" 2
862 1 24 LYS HB3 1 47 LEU MD2 . . 4.020 3.242 2.493 4.040 0.020 19 0 "[ . 1 . 2]" 2
863 1 47 LEU HB3 1 47 LEU MD2 . . 3.150 2.154 2.116 2.213 . 0 0 "[ . 1 . 2]" 2
864 1 47 LEU HB2 1 47 LEU MD2 . . 3.290 2.487 2.400 2.569 . 0 0 "[ . 1 . 2]" 2
865 1 22 LYS HA 1 23 PRO QD . . 3.590 1.987 1.867 2.120 . 0 0 "[ . 1 . 2]" 2
866 1 22 LYS HA 1 23 PRO QG . . 4.650 3.894 3.774 4.034 . 0 0 "[ . 1 . 2]" 2
867 1 53 ARG HA 1 58 HIS HE1 . . 4.020 3.699 3.436 3.942 . 0 0 "[ . 1 . 2]" 2
868 1 42 CYS HB3 1 58 HIS HE1 . . 4.080 3.815 3.742 3.872 . 0 0 "[ . 1 . 2]" 2
869 1 42 CYS HB2 1 58 HIS HE1 . . 3.710 3.017 2.947 3.044 . 0 0 "[ . 1 . 2]" 2
870 1 55 SER HA 1 58 HIS HE1 . . 3.870 3.435 3.267 3.692 . 0 0 "[ . 1 . 2]" 2
871 1 58 HIS HE1 1 60 CYS HB2 . . 4.110 3.113 3.034 3.300 . 0 0 "[ . 1 . 2]" 2
872 1 34 LYS QE 1 34 LYS HG3 . . 3.830 2.955 2.275 3.514 . 0 0 "[ . 1 . 2]" 2
873 1 33 LYS H 1 33 LYS HG2 . . 5.000 4.259 4.135 4.347 . 0 0 "[ . 1 . 2]" 2
874 1 33 LYS HA 1 33 LYS HG2 . . 3.800 3.089 2.883 3.272 . 0 0 "[ . 1 . 2]" 2
875 1 33 LYS HG2 1 35 VAL MG1 . . 5.130 3.605 3.260 3.857 . 0 0 "[ . 1 . 2]" 2
876 1 34 LYS QE 1 34 LYS HG2 . . 3.830 2.849 2.133 3.487 . 0 0 "[ . 1 . 2]" 2
877 1 27 ARG HA 1 35 VAL MG1 . . 4.460 2.625 2.469 2.794 . 0 0 "[ . 1 . 2]" 2
878 1 41 ASP HA 1 47 LEU HA . . 4.360 2.707 2.642 2.754 . 0 0 "[ . 1 . 2]" 2
879 1 58 HIS H 1 59 ASN HA . . 4.630 4.396 4.250 4.521 . 0 0 "[ . 1 . 2]" 2
880 1 33 LYS HA 1 33 LYS HG3 . . 3.800 2.841 2.629 2.979 . 0 0 "[ . 1 . 2]" 2
881 1 20 LEU HA 1 20 LEU MD2 . . 4.510 2.974 2.016 4.123 . 0 0 "[ . 1 . 2]" 2
882 1 20 LEU MD2 1 21 PRO HD3 . . 5.500 4.190 2.734 5.478 . 0 0 "[ . 1 . 2]" 2
883 1 20 LEU MD2 1 21 PRO HD2 . . 4.410 3.364 1.966 4.333 . 0 0 "[ . 1 . 2]" 2
884 1 16 LYS HA 1 16 LYS QG . . 3.840 3.011 2.304 3.439 . 0 0 "[ . 1 . 2]" 2
885 1 37 LEU HA 1 37 LEU MD1 . . 3.950 2.822 1.956 3.919 . 0 0 "[ . 1 . 2]" 2
886 1 51 LEU H 1 51 LEU MD1 . . 4.230 2.535 1.860 3.561 . 0 0 "[ . 1 . 2]" 2
887 1 51 LEU HA 1 51 LEU MD1 . . 3.920 3.526 3.064 3.973 0.053 11 0 "[ . 1 . 2]" 2
888 1 33 LYS QD 1 51 LEU MD1 . . 4.680 3.398 2.620 4.381 . 0 0 "[ . 1 . 2]" 2
889 1 20 LEU HA 1 21 PRO QG . . 4.590 3.999 3.940 4.046 . 0 0 "[ . 1 . 2]" 2
890 1 57 LYS HA 1 57 LYS HG2 . . 3.810 2.735 2.691 2.805 . 0 0 "[ . 1 . 2]" 2
891 1 57 LYS H 1 57 LYS HG3 . . 4.280 4.236 3.954 4.320 0.040 16 0 "[ . 1 . 2]" 2
892 1 40 PHE QE 1 53 ARG HG3 . . 4.510 4.119 3.944 4.187 . 0 0 "[ . 1 . 2]" 2
893 1 61 PRO HD2 1 62 TYR HB2 . . 5.490 3.956 3.936 3.972 . 0 0 "[ . 1 . 2]" 2
894 1 60 CYS HB2 1 61 PRO HD3 . . 4.980 4.821 4.794 4.850 . 0 0 "[ . 1 . 2]" 2
895 1 60 CYS H 1 61 PRO HD3 . . 4.730 4.608 4.559 4.645 . 0 0 "[ . 1 . 2]" 2
896 1 58 HIS HD2 1 61 PRO HD3 . . 4.030 3.423 3.233 3.495 . 0 0 "[ . 1 . 2]" 2
897 1 60 CYS HA 1 61 PRO HD3 . . 3.190 2.318 2.304 2.340 . 0 0 "[ . 1 . 2]" 2
898 1 44 CYS HB2 1 61 PRO HD3 . . 4.500 4.405 4.282 4.500 0.000 9 0 "[ . 1 . 2]" 2
899 1 44 CYS HB3 1 61 PRO HD3 . . 4.520 4.552 4.516 4.580 0.060 5 0 "[ . 1 . 2]" 2
900 1 59 ASN HB2 1 61 PRO HD3 . . 5.500 4.744 4.466 4.870 . 0 0 "[ . 1 . 2]" 2
901 1 60 CYS HB3 1 61 PRO HD3 . . 5.500 5.029 5.015 5.047 . 0 0 "[ . 1 . 2]" 2
902 1 33 LYS QD 1 51 LEU MD2 . . 4.680 4.644 4.304 4.761 0.081 8 0 "[ . 1 . 2]" 2
903 1 20 LEU HA 1 20 LEU MD1 . . 4.510 3.089 1.930 3.909 . 0 0 "[ . 1 . 2]" 2
904 1 20 LEU MD1 1 21 PRO HD3 . . 5.500 4.010 2.537 5.205 . 0 0 "[ . 1 . 2]" 2
905 1 51 LEU HA 1 51 LEU MD2 . . 3.920 3.133 2.289 3.674 . 0 0 "[ . 1 . 2]" 2
906 1 41 ASP H 1 47 LEU MD1 . . 4.070 4.027 3.940 4.090 0.020 16 0 "[ . 1 . 2]" 2
907 1 39 GLY H 1 47 LEU MD1 . . 4.320 4.131 3.932 4.297 . 0 0 "[ . 1 . 2]" 2
908 1 47 LEU H 1 47 LEU MD1 . . 4.460 4.362 4.333 4.431 . 0 0 "[ . 1 . 2]" 2
909 1 41 ASP HA 1 47 LEU MD1 . . 3.530 3.427 3.350 3.531 0.001 17 0 "[ . 1 . 2]" 2
910 1 47 LEU HA 1 47 LEU MD1 . . 2.940 2.179 2.081 2.322 . 0 0 "[ . 1 . 2]" 2
911 1 26 ASN HA 1 47 LEU MD1 . . 4.480 4.084 3.748 4.317 . 0 0 "[ . 1 . 2]" 2
912 1 39 GLY HA2 1 47 LEU MD1 . . 3.560 2.424 2.224 2.814 . 0 0 "[ . 1 . 2]" 2
913 1 39 GLY HA3 1 47 LEU MD1 . . 3.260 2.173 2.027 2.278 . 0 0 "[ . 1 . 2]" 2
914 1 40 PHE HB3 1 47 LEU MD1 . . 4.530 4.091 3.936 4.289 . 0 0 "[ . 1 . 2]" 2
915 1 35 VAL HB 1 47 LEU MD1 . . 4.460 3.687 3.440 3.938 . 0 0 "[ . 1 . 2]" 2
916 1 47 LEU HB3 1 47 LEU MD1 . . 3.340 3.184 3.173 3.194 . 0 0 "[ . 1 . 2]" 2
917 1 47 LEU HB2 1 47 LEU MD1 . . 3.120 2.332 2.261 2.370 . 0 0 "[ . 1 . 2]" 2
918 1 37 LEU HA 1 37 LEU MD2 . . 3.950 2.737 2.035 3.817 . 0 0 "[ . 1 . 2]" 2
919 1 20 LEU HA 1 21 PRO HD3 . . 2.850 2.299 2.268 2.329 . 0 0 "[ . 1 . 2]" 2
920 1 17 ALA HA 1 18 PRO HD3 . . 2.800 2.276 2.253 2.319 . 0 0 "[ . 1 . 2]" 2
921 1 20 LEU HA 1 21 PRO HD2 . . 3.060 2.395 2.297 2.469 . 0 0 "[ . 1 . 2]" 2
922 1 20 LEU HG 1 21 PRO HD2 . . 4.420 4.033 3.161 4.434 0.014 19 0 "[ . 1 . 2]" 2
923 1 17 ALA HA 1 18 PRO HD2 . . 2.800 2.245 2.013 2.448 . 0 0 "[ . 1 . 2]" 2
924 1 20 LEU HB3 1 21 PRO HD2 . . 3.830 2.526 1.988 3.621 . 0 0 "[ . 1 . 2]" 2
925 1 20 LEU MD1 1 21 PRO HD2 . . 4.410 3.056 1.961 4.389 . 0 0 "[ . 1 . 2]" 2
926 1 33 LYS H 1 35 VAL MG1 . . 4.290 3.707 3.589 3.841 . 0 0 "[ . 1 . 2]" 2
927 1 35 VAL MG1 1 48 PHE HA . . 4.400 3.818 3.719 3.967 . 0 0 "[ . 1 . 2]" 2
928 1 35 VAL MG1 1 40 PHE H . . 4.490 3.892 3.742 4.165 . 0 0 "[ . 1 . 2]" 2
929 1 35 VAL H 1 35 VAL MG1 . . 3.230 2.447 2.262 2.612 . 0 0 "[ . 1 . 2]" 2
930 1 35 VAL MG1 1 49 CYS HA . . 3.030 1.980 1.871 2.079 . 0 0 "[ . 1 . 2]" 2
931 1 34 LYS HA 1 35 VAL MG1 . . 3.810 3.694 3.588 3.806 . 0 0 "[ . 1 . 2]" 2
932 1 35 VAL HA 1 35 VAL MG1 . . 3.010 2.407 2.353 2.478 . 0 0 "[ . 1 . 2]" 2
933 1 35 VAL MG1 1 39 GLY HA2 . . 3.460 2.901 2.754 3.050 . 0 0 "[ . 1 . 2]" 2
934 1 35 VAL MG1 1 49 CYS HB2 . . 3.220 2.593 2.336 2.906 . 0 0 "[ . 1 . 2]" 2
935 1 35 VAL MG1 1 49 CYS HB3 . . 3.120 1.901 1.830 1.994 . 0 0 "[ . 1 . 2]" 2
936 1 27 ARG HB3 1 35 VAL MG1 . . 4.680 4.533 4.338 4.681 0.001 16 0 "[ . 1 . 2]" 2
937 1 35 VAL MG1 1 47 LEU HG . . 3.800 3.266 2.900 3.476 . 0 0 "[ . 1 . 2]" 2
938 1 28 CYS HA 1 35 VAL MG1 . . 3.780 2.968 2.794 3.047 . 0 0 "[ . 1 . 2]" 2
939 1 35 VAL MG1 1 39 GLY HA3 . . 4.210 4.010 3.812 4.184 . 0 0 "[ . 1 . 2]" 2
940 1 33 LYS HB3 1 35 VAL MG1 . . 4.120 3.554 3.427 3.668 . 0 0 "[ . 1 . 2]" 2
941 1 33 LYS QD 1 35 VAL MG1 . . 4.480 3.821 3.280 4.478 . 0 0 "[ . 1 . 2]" 2
942 1 27 ARG HG2 1 35 VAL MG1 . . 4.580 4.146 3.979 4.328 . 0 0 "[ . 1 . 2]" 2
943 1 33 LYS HG3 1 35 VAL MG1 . . 5.130 5.003 4.712 5.140 0.010 7 0 "[ . 1 . 2]" 2
944 1 38 THR HA 1 38 THR MG . . 2.870 2.300 2.152 2.444 . 0 0 "[ . 1 . 2]" 2
945 1 29 PHE QD 1 58 HIS HB2 . . 5.150 3.840 3.605 4.102 . 0 0 "[ . 1 . 2]" 2
946 1 29 PHE QD 1 48 PHE HZ . . 4.580 3.269 3.122 3.419 . 0 0 "[ . 1 . 2]" 2
947 1 29 PHE QE 1 48 PHE HZ . . 5.500 2.974 2.811 3.132 . 0 0 "[ . 1 . 2]" 2
948 1 29 PHE H 1 29 PHE QE . . 5.500 5.527 5.491 5.564 0.064 3 0 "[ . 1 . 2]" 2
949 1 29 PHE HZ 1 46 ASN HB3 . . 5.070 5.098 5.066 5.114 0.044 8 0 "[ . 1 . 2]" 2
950 1 29 PHE HZ 1 46 ASN HB2 . . 5.200 5.208 5.190 5.240 0.040 10 0 "[ . 1 . 2]" 2
951 1 29 PHE HZ 1 58 HIS HB2 . . 5.140 5.040 4.765 5.165 0.025 16 0 "[ . 1 . 2]" 2
952 1 29 PHE HZ 1 48 PHE HZ . . 4.500 4.484 4.385 4.527 0.027 13 0 "[ . 1 . 2]" 2
953 1 29 PHE HZ 1 58 HIS HD2 . . 4.450 4.424 4.223 4.485 0.035 6 0 "[ . 1 . 2]" 2
954 1 40 PHE QD 1 48 PHE HB3 . . 5.500 5.282 5.142 5.489 . 0 0 "[ . 1 . 2]" 2
955 1 40 PHE QD 1 50 GLY HA3 . . 5.300 3.447 3.384 3.542 . 0 0 "[ . 1 . 2]" 2
956 1 40 PHE QD 1 49 CYS HA . . 5.500 5.527 5.498 5.549 0.049 16 0 "[ . 1 . 2]" 2
957 1 40 PHE QD 1 53 ARG HG2 . . 5.330 4.804 4.733 4.830 . 0 0 "[ . 1 . 2]" 2
958 1 40 PHE QD 1 47 LEU MD1 . . 5.400 5.023 4.956 5.169 . 0 0 "[ . 1 . 2]" 2
959 1 54 TYR QD 1 57 LYS QE . . 4.730 3.738 2.362 4.534 . 0 0 "[ . 1 . 2]" 2
960 1 54 TYR QD 1 57 LYS HA . . 5.500 5.424 4.655 5.498 . 0 0 "[ . 1 . 2]" 2
961 1 54 TYR QD 1 56 ASP H . . 5.250 4.749 4.625 5.142 . 0 0 "[ . 1 . 2]" 2
962 1 53 ARG HD2 1 54 TYR QD . . 5.500 5.257 4.434 5.359 . 0 0 "[ . 1 . 2]" 2
963 1 50 GLY HA2 1 54 TYR QD . . 5.500 5.496 5.361 5.543 0.043 8 0 "[ . 1 . 2]" 2
964 1 53 ARG HA 1 54 TYR QD . . 5.420 5.077 4.691 5.267 . 0 0 "[ . 1 . 2]" 2
965 1 53 ARG HD3 1 54 TYR QE . . 4.810 4.023 2.937 4.246 . 0 0 "[ . 1 . 2]" 2
966 1 54 TYR QE 1 57 LYS HG3 . . 5.070 3.902 3.473 4.024 . 0 0 "[ . 1 . 2]" 2
967 1 61 PRO HB2 1 62 TYR QD . . 4.990 4.789 4.603 4.975 . 0 0 "[ . 1 . 2]" 2
968 1 43 ARG HA 1 62 TYR QD . . 5.320 4.972 4.724 5.351 0.031 13 0 "[ . 1 . 2]" 2
969 1 62 TYR QE 1 67 GLU QG . . 5.450 5.332 4.993 5.519 0.069 17 0 "[ . 1 . 2]" 2
970 1 62 TYR QE 1 64 TYR H . . 5.170 3.781 3.441 4.129 . 0 0 "[ . 1 . 2]" 2
971 1 62 TYR H 1 62 TYR QE . . 5.500 5.653 5.588 5.711 0.211 7 0 "[ . 1 . 2]" 2
972 1 62 TYR QE 1 63 ASP H . . 5.450 4.270 4.060 4.401 . 0 0 "[ . 1 . 2]" 2
973 1 44 CYS H 1 62 TYR QE . . 5.470 5.061 4.933 5.232 . 0 0 "[ . 1 . 2]" 2
974 1 63 ASP HB3 1 64 TYR QD . . 5.500 5.396 5.179 5.521 0.021 16 0 "[ . 1 . 2]" 2
975 1 63 ASP HB2 1 64 TYR QD . . 5.500 5.242 4.903 5.520 0.020 8 0 "[ . 1 . 2]" 2
976 1 62 TYR HB2 1 64 TYR QD . . 5.200 3.692 3.612 3.894 . 0 0 "[ . 1 . 2]" 2
977 1 43 ARG HG2 1 64 TYR QD . . 5.500 4.225 3.667 4.704 . 0 0 "[ . 1 . 2]" 2
978 1 64 TYR QD 1 65 LYS QD . . 5.500 4.715 2.806 5.464 . 0 0 "[ . 1 . 2]" 2
979 1 43 ARG HB3 1 64 TYR QE . . 5.500 5.150 4.901 5.530 0.030 8 0 "[ . 1 . 2]" 2
980 1 43 ARG HG2 1 64 TYR QE . . 5.220 4.040 3.218 4.902 . 0 0 "[ . 1 . 2]" 2
981 1 64 TYR QE 1 65 LYS QD . . 5.500 4.217 2.603 5.477 . 0 0 "[ . 1 . 2]" 2
982 1 64 TYR QE 1 65 LYS HA . . 4.830 4.386 4.171 4.596 . 0 0 "[ . 1 . 2]" 2
983 1 51 LEU HB2 1 52 HIS HD2 . . 5.500 5.448 5.194 5.591 0.091 16 0 "[ . 1 . 2]" 2
984 1 51 LEU HB3 1 52 HIS HD2 . . 5.500 5.331 5.029 5.586 0.086 12 0 "[ . 1 . 2]" 2
985 1 52 HIS HD2 1 57 LYS HG3 . . 5.010 4.893 4.176 5.004 . 0 0 "[ . 1 . 2]" 2
986 1 52 HIS H 1 52 HIS HD2 . . 5.250 5.006 4.918 5.100 . 0 0 "[ . 1 . 2]" 2
987 1 30 MET QB 1 58 HIS HD2 . . 5.170 5.010 4.882 5.182 0.012 13 0 "[ . 1 . 2]" 2
988 1 58 HIS HD2 1 61 PRO HG3 . . 5.500 5.479 5.321 5.541 0.041 16 0 "[ . 1 . 2]" 2
989 1 55 SER HA 1 58 HIS HD2 . . 5.130 4.822 4.552 4.974 . 0 0 "[ . 1 . 2]" 2
990 1 58 HIS HD2 1 59 ASN HB3 . . 5.500 5.281 5.248 5.352 . 0 0 "[ . 1 . 2]" 2
991 1 40 PHE HZ 1 53 ARG HD2 . . 5.300 2.869 2.806 3.060 . 0 0 "[ . 1 . 2]" 2
992 1 40 PHE HZ 1 50 GLY HA2 . . 5.500 5.556 5.511 5.592 0.092 13 0 "[ . 1 . 2]" 2
993 1 51 LEU HA 1 51 LEU HG . . 3.830 2.663 2.344 3.289 . 0 0 "[ . 1 . 2]" 2
994 1 17 ALA MB 1 18 PRO QG . . 4.950 3.769 3.455 4.130 . 0 0 "[ . 1 . 2]" 2
995 1 28 CYS HB2 1 33 LYS HB2 . . 5.000 4.603 4.443 4.768 . 0 0 "[ . 1 . 2]" 2
996 1 32 ARG HB3 1 33 LYS H . . 5.040 4.405 4.373 4.454 . 0 0 "[ . 1 . 2]" 2
997 1 40 PHE QD 1 42 CYS HA . . 4.650 3.734 3.617 3.886 . 0 0 "[ . 1 . 2]" 2
998 1 42 CYS HA 1 43 ARG HA . . 4.440 4.302 4.299 4.306 . 0 0 "[ . 1 . 2]" 2
999 1 33 LYS QD 1 52 HIS HE1 . . 5.460 5.393 5.203 5.478 0.018 4 0 "[ . 1 . 2]" 2
1000 1 30 MET QB 1 52 HIS HE1 . . 4.930 4.609 4.407 4.919 . 0 0 "[ . 1 . 2]" 2
1001 1 30 MET ME 1 52 HIS HE1 . . 5.500 5.545 5.502 5.579 0.079 11 0 "[ . 1 . 2]" 2
1002 1 30 MET HG3 1 52 HIS HE1 . . 5.320 3.512 3.280 4.693 . 0 0 "[ . 1 . 2]" 2
1003 1 30 MET HG2 1 52 HIS HE1 . . 5.320 4.392 3.321 4.588 . 0 0 "[ . 1 . 2]" 2
1004 1 51 LEU HB3 1 52 HIS HE1 . . 4.890 4.616 4.429 4.915 0.025 10 0 "[ . 1 . 2]" 2
1005 1 53 ARG HA 1 58 HIS HD1 . . 4.650 3.343 3.080 3.645 . 0 0 "[ . 1 . 2]" 2
1006 1 53 ARG QB 1 58 HIS HE1 . . 5.180 4.966 4.701 5.201 0.021 8 0 "[ . 1 . 2]" 2
1007 1 54 TYR HA 1 58 HIS HE1 . . 5.450 5.126 4.974 5.238 . 0 0 "[ . 1 . 2]" 2
1008 1 58 HIS HE1 1 60 CYS HA . . 5.500 4.576 4.534 4.681 . 0 0 "[ . 1 . 2]" 2
1009 1 42 CYS HA 1 58 HIS HE1 . . 5.050 4.917 4.879 4.974 . 0 0 "[ . 1 . 2]" 2
1010 1 62 TYR HA 1 63 ASP HB3 . . 5.500 5.062 4.038 5.588 0.088 9 0 "[ . 1 . 2]" 2
1011 1 14 GLU QB 1 15 GLU H . . 4.390 3.470 2.314 4.045 . 0 0 "[ . 1 . 2]" 2
1012 1 15 GLU H 1 15 GLU QB . . 3.540 2.756 2.297 3.316 . 0 0 "[ . 1 . 2]" 2
1013 1 15 GLU QB 1 16 LYS H . . 4.170 3.357 2.624 3.850 . 0 0 "[ . 1 . 2]" 2
1014 1 16 LYS H 1 16 LYS QB . . 3.480 2.654 2.218 3.304 . 0 0 "[ . 1 . 2]" 2
1015 1 16 LYS QB 1 17 ALA H . . 3.900 2.960 2.034 3.827 . 0 0 "[ . 1 . 2]" 2
1016 1 17 ALA H 1 18 PRO QD . . 5.060 4.214 3.993 4.375 . 0 0 "[ . 1 . 2]" 2
1017 1 17 ALA HA 1 18 PRO QD . . 2.440 2.008 1.891 2.118 . 0 0 "[ . 1 . 2]" 2
1018 1 17 ALA MB 1 18 PRO QB . . 5.270 4.663 4.461 4.882 . 0 0 "[ . 1 . 2]" 2
1019 1 17 ALA MB 1 18 PRO QD . . 3.180 2.272 1.955 2.769 . 0 0 "[ . 1 . 2]" 2
1020 1 18 PRO QB 1 19 GLU H . . 3.760 3.127 2.454 3.633 . 0 0 "[ . 1 . 2]" 2
1021 1 18 PRO QB 1 19 GLU HA . . 4.930 4.311 3.935 4.871 . 0 0 "[ . 1 . 2]" 2
1022 1 19 GLU H 1 19 GLU QB . . 3.500 2.662 2.326 3.201 . 0 0 "[ . 1 . 2]" 2
1023 1 19 GLU QB 1 20 LEU H . . 3.820 3.106 2.137 3.920 0.100 20 0 "[ . 1 . 2]" 2
1024 1 20 LEU H 1 20 LEU QB . . 2.900 2.377 2.208 2.712 . 0 0 "[ . 1 . 2]" 2
1025 1 20 LEU H 1 20 LEU QD . . 4.130 2.721 1.763 3.770 . 0 0 "[ . 1 . 2]" 2
1026 1 20 LEU HA 1 20 LEU QD . . 3.230 2.455 1.901 3.246 0.016 12 0 "[ . 1 . 2]" 2
1027 1 20 LEU QB 1 21 PRO HD2 . . 3.160 2.052 1.979 2.308 . 0 0 "[ . 1 . 2]" 2
1028 1 20 LEU QB 1 21 PRO HD3 . . 3.790 3.394 3.302 3.607 . 0 0 "[ . 1 . 2]" 2
1029 1 20 LEU QD 1 21 PRO QG . . 4.440 3.411 2.962 3.992 . 0 0 "[ . 1 . 2]" 2
1030 1 20 LEU QD 1 21 PRO HD2 . . 3.520 2.293 1.956 2.900 . 0 0 "[ . 1 . 2]" 2
1031 1 20 LEU QD 1 21 PRO HD3 . . 3.970 3.157 2.521 3.988 0.018 11 0 "[ . 1 . 2]" 2
1032 1 21 PRO HA 1 22 LYS QG . . 4.460 4.018 3.491 4.458 . 0 0 "[ . 1 . 2]" 2
1033 1 21 PRO QB 1 22 LYS H . . 3.710 3.198 2.294 3.655 . 0 0 "[ . 1 . 2]" 2
1034 1 22 LYS H 1 22 LYS QB . . 3.630 2.620 2.250 3.272 . 0 0 "[ . 1 . 2]" 2
1035 1 22 LYS H 1 22 LYS QG . . 3.620 2.595 2.074 3.307 . 0 0 "[ . 1 . 2]" 2
1036 1 22 LYS HA 1 22 LYS QG . . 3.670 2.805 2.201 3.443 . 0 0 "[ . 1 . 2]" 2
1037 1 22 LYS QB 1 23 PRO QD . . 3.570 2.512 1.959 3.461 . 0 0 "[ . 1 . 2]" 2
1038 1 22 LYS QB 1 24 LYS H . . 4.000 2.801 2.291 3.973 . 0 0 "[ . 1 . 2]" 2
1039 1 22 LYS QE 1 22 LYS QG . . 3.440 2.268 2.086 2.644 . 0 0 "[ . 1 . 2]" 2
1040 1 23 PRO QB 1 24 LYS H . . 4.010 3.399 2.773 3.895 . 0 0 "[ . 1 . 2]" 2
1041 1 24 LYS QB 1 24 LYS QE . . 4.340 3.041 1.972 3.743 . 0 0 "[ . 1 . 2]" 2
1042 1 24 LYS QB 1 27 ARG H . . 4.340 3.280 2.778 4.333 . 0 0 "[ . 1 . 2]" 2
1043 1 24 LYS QB 1 47 LEU MD1 . . 5.340 4.909 4.490 5.254 . 0 0 "[ . 1 . 2]" 2
1044 1 24 LYS QB 1 47 LEU MD2 . . 3.530 2.726 2.417 3.047 . 0 0 "[ . 1 . 2]" 2
1045 1 26 ASN QB 1 26 ASN QD . . 3.050 2.145 2.063 2.271 . 0 0 "[ . 1 . 2]" 2
1046 1 26 ASN QB 1 27 ARG H . . 4.200 3.992 3.751 4.045 . 0 0 "[ . 1 . 2]" 2
1047 1 26 ASN QB 1 35 VAL H . . 4.210 3.701 3.405 3.869 . 0 0 "[ . 1 . 2]" 2
1048 1 26 ASN QB 1 35 VAL MG2 . . 3.540 2.991 2.289 3.539 . 0 0 "[ . 1 . 2]" 2
1049 1 26 ASN QB 1 36 GLY H . . 5.030 2.364 2.087 3.068 . 0 0 "[ . 1 . 2]" 2
1050 1 26 ASN QB 1 47 LEU MD1 . . 5.340 4.927 4.446 5.349 0.009 15 0 "[ . 1 . 2]" 2
1051 1 26 ASN QB 1 47 LEU MD2 . . 4.010 3.730 3.472 3.908 . 0 0 "[ . 1 . 2]" 2
1052 1 26 ASN QD 1 34 LYS QD . . 4.340 2.502 1.798 4.182 . 0 0 "[ . 1 . 2]" 2
1053 1 26 ASN QD 1 34 LYS QE . . 5.010 3.890 2.499 4.954 . 0 0 "[ . 1 . 2]" 2
1054 1 26 ASN QD 1 35 VAL MG2 . . 4.580 4.089 3.737 4.596 0.016 17 0 "[ . 1 . 2]" 2
1055 1 27 ARG HA 1 34 LYS QG . . 5.310 4.826 4.338 5.267 . 0 0 "[ . 1 . 2]" 2
1056 1 27 ARG HD2 1 32 ARG QB . . 4.550 3.639 3.233 3.808 . 0 0 "[ . 1 . 2]" 2
1057 1 27 ARG HD3 1 32 ARG QB . . 4.820 3.562 3.447 3.707 . 0 0 "[ . 1 . 2]" 2
1058 1 28 CYS H 1 32 ARG QB . . 5.340 5.165 5.065 5.269 . 0 0 "[ . 1 . 2]" 2
1059 1 30 MET H 1 30 MET QG . . 3.890 3.818 3.684 3.893 0.003 16 0 "[ . 1 . 2]" 2
1060 1 30 MET HA 1 30 MET QG . . 3.630 3.219 2.769 3.281 . 0 0 "[ . 1 . 2]" 2
1061 1 30 MET QG 1 31 CYS H . . 3.850 2.970 2.872 3.083 . 0 0 "[ . 1 . 2]" 2
1062 1 30 MET QG 1 31 CYS HA . . 5.270 3.523 3.429 3.600 . 0 0 "[ . 1 . 2]" 2
1063 1 30 MET QG 1 31 CYS HB2 . . 5.110 4.389 4.312 4.476 . 0 0 "[ . 1 . 2]" 2
1064 1 30 MET QG 1 52 HIS HD2 . . 3.890 2.831 2.683 3.190 . 0 0 "[ . 1 . 2]" 2
1065 1 30 MET QG 1 52 HIS HE1 . . 4.580 3.293 3.193 3.396 . 0 0 "[ . 1 . 2]" 2
1066 1 30 MET QG 1 58 HIS HA . . 4.160 3.328 3.133 4.166 0.006 15 0 "[ . 1 . 2]" 2
1067 1 30 MET QG 1 58 HIS HB2 . . 4.310 3.354 3.093 4.216 . 0 0 "[ . 1 . 2]" 2
1068 1 31 CYS H 1 32 ARG QG . . 4.750 4.370 3.907 4.744 . 0 0 "[ . 1 . 2]" 2
1069 1 31 CYS H 1 32 ARG QD . . 4.630 3.895 3.218 4.608 . 0 0 "[ . 1 . 2]" 2
1070 1 32 ARG H 1 32 ARG QB . . 3.660 3.377 3.315 3.418 . 0 0 "[ . 1 . 2]" 2
1071 1 32 ARG H 1 32 ARG QG . . 3.220 2.983 2.751 3.232 0.012 20 0 "[ . 1 . 2]" 2
1072 1 32 ARG HA 1 32 ARG QG . . 3.190 2.611 2.296 3.023 . 0 0 "[ . 1 . 2]" 2
1073 1 32 ARG HA 1 32 ARG QD . . 3.730 2.912 1.996 3.561 . 0 0 "[ . 1 . 2]" 2
1074 1 32 ARG QB 1 32 ARG QD . . 3.130 2.226 2.047 2.543 . 0 0 "[ . 1 . 2]" 2
1075 1 32 ARG QB 1 33 LYS H . . 4.270 3.903 3.889 3.905 . 0 0 "[ . 1 . 2]" 2
1076 1 33 LYS H 1 33 LYS QG . . 4.140 3.972 3.893 4.036 . 0 0 "[ . 1 . 2]" 2
1077 1 33 LYS HA 1 33 LYS QG . . 3.300 2.614 2.521 2.700 . 0 0 "[ . 1 . 2]" 2
1078 1 33 LYS QE 1 33 LYS QG . . 3.340 2.187 2.031 2.343 . 0 0 "[ . 1 . 2]" 2
1079 1 33 LYS QG 1 34 LYS H . . 3.520 2.382 2.156 2.649 . 0 0 "[ . 1 . 2]" 2
1080 1 33 LYS QG 1 35 VAL MG1 . . 4.370 3.526 3.204 3.752 . 0 0 "[ . 1 . 2]" 2
1081 1 33 LYS QD 1 51 LEU QD . . 4.120 3.252 2.608 4.010 . 0 0 "[ . 1 . 2]" 2
1082 1 33 LYS QE 1 51 LEU QD . . 4.570 3.538 2.509 4.473 . 0 0 "[ . 1 . 2]" 2
1083 1 34 LYS H 1 34 LYS QB . . 2.710 2.183 2.108 2.254 . 0 0 "[ . 1 . 2]" 2
1084 1 34 LYS H 1 34 LYS QG . . 4.610 3.907 3.743 4.052 . 0 0 "[ . 1 . 2]" 2
1085 1 34 LYS HA 1 34 LYS QG . . 3.400 2.558 2.158 3.063 . 0 0 "[ . 1 . 2]" 2
1086 1 34 LYS QB 1 35 VAL H . . 3.980 3.870 3.756 3.933 . 0 0 "[ . 1 . 2]" 2
1087 1 34 LYS QB 1 36 GLY H . . 5.060 4.914 4.620 5.078 0.018 12 0 "[ . 1 . 2]" 2
1088 1 34 LYS QG 1 35 VAL H . . 3.570 3.415 3.244 3.606 0.036 1 0 "[ . 1 . 2]" 2
1089 1 36 GLY HA3 1 37 LEU QB . . 5.210 4.207 3.960 4.395 . 0 0 "[ . 1 . 2]" 2
1090 1 37 LEU HA 1 37 LEU QD . . 2.710 2.232 1.914 2.760 0.050 9 0 "[ . 1 . 2]" 2
1091 1 37 LEU QB 1 37 LEU QD . . 2.760 1.940 1.826 2.045 . 0 0 "[ . 1 . 2]" 2
1092 1 37 LEU QB 1 38 THR H . . 3.910 2.785 2.690 2.847 . 0 0 "[ . 1 . 2]" 2
1093 1 37 LEU QB 1 38 THR MG . . 3.680 3.197 2.985 3.374 . 0 0 "[ . 1 . 2]" 2
1094 1 37 LEU QB 1 39 GLY H . . 4.360 4.315 4.264 4.360 . 0 0 "[ . 1 . 2]" 2
1095 1 37 LEU QD 1 38 THR H . . 4.950 3.922 3.724 4.210 . 0 0 "[ . 1 . 2]" 2
1096 1 40 PHE HA 1 41 ASP QB . . 4.560 4.333 4.060 4.613 0.053 18 0 "[ . 1 . 2]" 2
1097 1 41 ASP H 1 41 ASP QB . . 3.110 2.493 2.217 2.899 . 0 0 "[ . 1 . 2]" 2
1098 1 41 ASP QB 1 42 CYS H . . 3.870 3.548 3.375 3.875 0.005 19 0 "[ . 1 . 2]" 2
1099 1 41 ASP QB 1 47 LEU HA . . 5.060 4.431 4.048 4.729 . 0 0 "[ . 1 . 2]" 2
1100 1 41 ASP QB 1 47 LEU MD1 . . 4.480 4.155 3.750 4.529 0.049 16 0 "[ . 1 . 2]" 2
1101 1 43 ARG H 1 43 ARG QD . . 4.080 3.826 3.498 4.094 0.014 11 0 "[ . 1 . 2]" 2
1102 1 43 ARG HB2 1 43 ARG QD . . 3.650 3.285 3.203 3.490 . 0 0 "[ . 1 . 2]" 2
1103 1 43 ARG QD 1 62 TYR QD . . 4.650 4.252 3.870 4.687 0.037 20 0 "[ . 1 . 2]" 2
1104 1 43 ARG QD 1 62 TYR QE . . 4.830 3.401 2.883 4.109 . 0 0 "[ . 1 . 2]" 2
1105 1 51 LEU H 1 51 LEU QD . . 3.500 2.399 1.857 3.022 . 0 0 "[ . 1 . 2]" 2
1106 1 51 LEU HA 1 51 LEU QD . . 3.160 2.776 2.275 3.041 . 0 0 "[ . 1 . 2]" 2
1107 1 51 LEU QD 1 52 HIS H . . 4.470 3.968 3.762 4.168 . 0 0 "[ . 1 . 2]" 2
1108 1 51 LEU QD 1 52 HIS HE1 . . 4.640 4.004 3.517 4.513 . 0 0 "[ . 1 . 2]" 2
1109 1 55 SER QB 1 59 ASN HA . . 5.320 5.232 4.921 5.371 0.051 18 0 "[ . 1 . 2]" 2
1110 1 55 SER QB 1 60 CYS H . . 3.800 3.619 3.332 3.722 . 0 0 "[ . 1 . 2]" 2
1111 1 55 SER QB 1 60 CYS HA . . 5.340 4.781 4.562 4.900 . 0 0 "[ . 1 . 2]" 2
1112 1 55 SER QB 1 64 TYR QE . . 4.130 2.727 2.553 2.985 . 0 0 "[ . 1 . 2]" 2
1113 1 56 ASP H 1 56 ASP QB . . 3.310 2.387 2.214 2.841 . 0 0 "[ . 1 . 2]" 2
1114 1 56 ASP QB 1 57 LYS H . . 3.720 3.653 3.336 3.771 0.051 20 0 "[ . 1 . 2]" 2
1115 1 56 ASP QB 1 57 LYS HG2 . . 4.460 3.875 3.674 4.489 0.029 20 0 "[ . 1 . 2]" 2
1116 1 59 ASN HA 1 59 ASN QD . . 4.450 3.764 3.414 4.068 . 0 0 "[ . 1 . 2]" 2
1117 1 59 ASN HB2 1 59 ASN QD . . 3.380 2.210 2.096 2.384 . 0 0 "[ . 1 . 2]" 2
1118 1 62 TYR HA 1 63 ASP QB . . 4.690 4.258 3.879 4.724 0.034 13 0 "[ . 1 . 2]" 2
1119 1 62 TYR QD 1 63 ASP QB . . 5.340 5.000 4.570 5.317 . 0 0 "[ . 1 . 2]" 2
1120 1 62 TYR QE 1 67 GLU QB . . 5.340 5.350 5.081 5.425 0.085 7 0 "[ . 1 . 2]" 2
1121 1 63 ASP H 1 63 ASP QB . . 3.190 2.826 2.540 3.216 0.026 7 0 "[ . 1 . 2]" 2
1122 1 63 ASP QB 1 64 TYR H . . 3.750 3.562 3.146 3.774 0.024 4 0 "[ . 1 . 2]" 2
1123 1 63 ASP QB 1 64 TYR QD . . 4.810 4.727 4.577 4.843 0.033 8 0 "[ . 1 . 2]" 2
1124 1 63 ASP QB 1 65 LYS H . . 4.680 4.495 4.248 4.674 . 0 0 "[ . 1 . 2]" 2
1125 1 63 ASP QB 1 66 ALA H . . 5.050 3.793 3.275 4.395 . 0 0 "[ . 1 . 2]" 2
1126 1 63 ASP QB 1 66 ALA MB . . 4.220 3.587 2.516 4.248 0.028 19 0 "[ . 1 . 2]" 2
1127 1 67 GLU H 1 67 GLU QB . . 3.310 2.407 2.160 2.817 . 0 0 "[ . 1 . 2]" 2
1128 1 67 GLU QB 1 68 ALA H . . 4.180 3.120 2.280 4.040 . 0 0 "[ . 1 . 2]" 2
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